data_r4trpsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-07-15 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      4trp 
_cell.length_a      42.9250 
_cell.length_b      46.9250 
_cell.length_c      62.3580 
_cell.angle_alpha   110.8100 
_cell.angle_beta    92.7980 
_cell.angle_gamma   100.1290 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.88563 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.250 
_diffrn_reflns.pdbx_d_res_low    57.862 
_diffrn_reflns.limit_h_max       34 
_diffrn_reflns.limit_h_min       -34 
_diffrn_reflns.limit_k_max       34 
_diffrn_reflns.limit_k_min       -37 
_diffrn_reflns.limit_l_max       49 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            123022 
_diffrn_reflns.pdbx_number_obs   109662 
# 
_entry.id   4trp 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4trp 
_symmetry.space_group_name_H-M   "P 1" 
_symmetry.Int_Tables_number      1 
# 
_symmetry_equiv.id           1 
_symmetry_equiv.pos_as_xyz   "X,  Y,  Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -34 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -34 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  12 o 6.9227  1.8734  5.3022    4.5282    4.4993    8.6146    5.6088    5.3229    7.1993  2.9021  6.6461  2.3699  0.5532002      3.746860 
1 1 1 -33 -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  13 o 11.168  2.4774  19.029    9.9132    -1.6273   16.337    31.066    12.472    8.1893  3.6559  14.146  3.3443  -5.956429      4.954795 
1 1 1 -33 -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  14 o 17.274  2.4647  40.718    9.2710    57.903    20.729    36.422    10.365    18.765  4.2259  15.783  2.5379  2.981928       4.929404 
1 1 1 -33 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   15 o 11.505  2.2689  19.552    6.7966    22.855    12.538    18.178    8.0882    12.026  3.6063  10.984  2.7542  1.041790       4.537744 
1 1 1 -33 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   15 o 21.739  3.4952  73.086    19.662    0.0000    0.0000    73.086    19.662    ?       ?       21.739  3.4952  ?              ?        
1 1 1 -33 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   16 o 10.231  2.3295  15.250    6.7603    17.713    12.683    14.272    7.9898    10.739  3.6700  9.7237  2.8702  1.015224       4.659069 
1 1 1 -33 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   16 o 13.531  2.3490  29.837    8.1684    24.764    14.522    32.184    9.8794    12.326  3.9143  14.736  2.5980  -2.410087      4.698055 
1 1 1 -33 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 8   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 9   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 10  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 11  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 12  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 13  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 13  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 13  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 14  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 14  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 14  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 14  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 15  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 15  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -33 16  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -7  6  o 14.481  2.6747  34.374    11.075    20.676    16.465    45.692    14.967    11.677  4.1677  17.285  3.3536  -5.608590      5.349411 
1 1 1 -32 -7  7  o 21.487  2.5220  70.401    13.917    83.220    20.477    59.397    18.973    23.481  3.3508  19.493  3.7702  3.988466       5.044037 
1 1 1 -32 -7  8  o 6.5151  2.0632  -2.5671   7.3046    -6.2297   12.048    -0.4381   9.1855    6.5722  3.0147  6.4580  2.8175  0.1142087      4.126315 
1 1 1 -32 -7  9  o 11.012  2.6269  16.763    9.2832    25.679    14.566    10.665    12.047    12.755  3.9010  9.2699  3.5191  3.484750       5.253751 
1 1 1 -32 -7  10 o 14.640  2.7789  33.457    11.311    44.422    16.927    24.610    15.205    16.772  3.8494  12.507  4.0088  4.264733       5.557773 
1 1 1 -32 -7  11 o 14.808  2.7793  36.080    11.910    21.053    17.752    48.382    16.062    11.869  4.3156  17.747  3.5034  -5.877621      5.558618 
1 1 1 -32 -7  12 o 14.157  2.7936  33.096    11.694    19.357    17.856    43.413    15.473    11.567  4.3070  16.748  3.5590  -5.181910      5.587203 
1 1 1 -32 -6  2  o 9.1291  3.6301  9.1692    13.288    9.1692    13.288    0.0000    0.0000    9.1291  3.6301  ?       ?       ?              ?        
1 1 1 -32 -6  3  o 24.625  4.8764  102.657   31.026    102.657   31.026    0.0000    0.0000    24.625  4.8764  ?       ?       ?              ?        
1 1 1 -32 -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -6  5  o 11.485  4.4232  18.100    19.207    18.100    19.207    0.0000    0.0000    11.485  4.4232  ?       ?       ?              ?        
1 1 1 -32 -6  6  o 7.1806  3.0720  1.3504    10.508    1.3504    10.508    0.0000    0.0000    7.1806  3.0720  ?       ?       ?              ?        
1 1 1 -32 -6  7  o 11.483  3.1072  18.648    12.192    22.233    13.197    -2.2474   31.860    12.011  3.7196  10.956  4.9784  1.054287       6.214498 
1 1 1 -32 -6  8  o 13.840  2.6371  30.353    10.096    25.127    15.172    34.507    13.526    12.676  3.9984  15.004  3.4393  -2.327991      5.274103 
1 1 1 -32 -6  9  o 9.5590  2.1519  6.0743    7.7314    27.764    12.235    -8.3434   9.9754    13.460  3.3944  5.6583  2.6461  7.801258       4.303895 
1 1 1 -32 -6  10 o 12.123  2.6857  22.015    9.7120    27.993    14.793    17.486    12.876    13.346  3.8959  10.900  3.6978  2.445846       5.371348 
1 1 1 -32 -6  11 o 14.498  2.4770  31.213    8.9296    35.467    16.291    29.386    10.676    14.943  3.9937  14.053  2.9313  0.8905678      4.954050 
1 1 1 -32 -6  12 o 9.4796  2.3830  12.592    7.5101    5.2603    14.677    15.193    8.7412    8.8388  3.6985  10.120  3.0058  -1.281689      4.765901 
1 1 1 -32 -6  13 o 13.871  2.5055  33.594    9.6854    15.115    18.011    41.112    11.488    10.920  4.2616  16.821  2.6363  -5.901360      5.011073 
1 1 1 -32 -6  14 o 15.766  2.6434  40.737    10.459    33.043    19.162    44.001    12.482    14.203  4.4949  17.329  2.7833  -3.126126      5.286865 
1 1 1 -32 -6  15 o 11.379  2.6724  18.302    8.6889    23.319    16.909    16.501    10.128    12.264  4.2355  10.494  3.2601  1.769858       5.344865 
1 1 1 -32 -5  1  o 16.752  2.4549  45.848    10.682    28.196    15.985    60.093    14.359    13.217  4.0939  20.287  2.7104  -7.070270      4.909796 
1 1 1 -32 -5  2  o 18.996  2.2930  53.972    11.209    60.757    16.671    48.374    15.142    20.125  3.1997  17.867  3.2852  2.258482       4.585938 
1 1 1 -32 -5  3  o 9.5568  2.3275  12.324    7.2418    16.908    11.086    8.9116    9.5645    10.638  3.4246  8.4760  3.1530  2.161664       4.654980 
1 1 1 -32 -5  4  o 11.393  2.4078  19.134    7.9999    25.312    12.064    14.286    10.687    12.824  3.4408  9.9619  3.3690  2.862045       4.815561 
1 1 1 -32 -5  5  o 9.8978  2.3910  13.910    7.5763    14.346    11.425    13.568    10.122    10.054  3.4810  9.7417  3.2788  0.3121843      4.782031 
1 1 1 -32 -5  6  o 13.280  2.4794  26.677    9.0556    34.202    13.447    20.433    12.250    14.962  3.4288  11.598  3.5824  3.363238       4.958890 
1 1 1 -32 -5  7  o 8.5312  2.0769  6.6039    5.5993    18.041    10.540    2.1066    6.6092    10.972  3.3102  6.0907  2.5093  4.880890       4.153745 
1 1 1 -32 -5  8  o 15.585  2.3090  37.611    8.8051    33.154    15.480    39.743    10.706    14.534  3.8967  16.636  2.4782  -2.101597      4.618037 
1 1 1 -32 -5  9  f 13.182  2.2618  23.857    7.5397    34.769    13.470    18.878    9.0986    15.119  3.4078  11.246  2.9748  3.873169       4.523540 
1 1 1 -32 -5  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -5  11 o 5.4740  1.7769  -5.6401   5.8549    -2.3514   9.0754    -7.9848   7.6629    6.1421  2.7346  4.8059  2.2696  1.336161       3.553817 
1 1 1 -32 -5  12 o 9.0943  2.3055  11.190    6.9649    5.7734    13.342    13.219    8.1659    8.6645  3.5669  9.5241  2.9221  -0.8595972     4.610979 
1 1 1 -32 -5  13 o 11.279  2.4959  15.556    7.8358    29.819    15.051    10.253    9.1776    13.780  3.9014  8.7787  3.1139  5.001162       4.991711 
1 1 1 -32 -5  14 o 14.673  2.5884  34.969    9.7546    27.785    17.869    38.018    11.642    13.245  4.3536  16.102  2.8012  -2.856427      5.176901 
1 1 1 -32 -5  15 o 10.759  2.5759  16.910    8.3472    15.170    16.030    17.558    9.7774    10.707  4.0607  10.812  3.1705  -0.1047592     5.151834 
1 1 1 -32 -5  16 o 18.332  2.7149  59.033    12.240    35.523    21.631    70.105    14.845    14.583  4.7898  22.081  2.5573  -7.497357      5.429749 
1 1 1 -32 -5  17 o 11.968  2.7748  21.286    9.5502    24.420    18.092    20.076    11.244    12.491  4.3773  11.446  3.4113  1.044515       5.549631 
1 1 1 -32 -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -4  6  o 12.832  2.6808  26.455    10.111    17.292    17.087    31.393    12.544    11.266  4.2096  14.398  3.3204  -3.132023      5.361534 
1 1 1 -32 -4  7  o 8.0579  1.9252  7.4587    4.6545    13.178    8.5708    5.0666    5.5431    9.5455  3.0045  6.5703  2.4081  2.975192       3.850434 
1 1 1 -32 -4  8  o 12.379  1.9510  18.709    6.3222    38.874    11.313    9.5497    7.6240    16.382  2.6701  8.3755  2.8454  8.006730       3.902038 
1 1 1 -32 -4  9  o 8.7273  2.1167  9.5224    5.5824    13.366    10.215    7.8856    6.6659    9.7374  3.2936  7.7172  2.6597  2.020190       4.233443 
1 1 1 -32 -4  10 o 29.632  1.9867  126.880   14.802    123.387   24.752    128.824   18.468    28.979  3.2445  30.284  2.2937  -1.304930      3.973399 
1 1 1 -32 -4  11 o 22.046  2.2598  75.015    11.779    61.398    20.116    82.119    14.531    19.937  3.9067  24.154  2.2727  -4.217178      4.519627 
1 1 1 -32 -4  12 o 11.188  3.5939  18.634    12.215    0.0000    0.0000    18.634    12.215    ?       ?       11.188  3.5939  ?              ?        
1 1 1 -32 -4  13 o 11.601  2.4308  20.883    7.9022    16.137    14.583    22.855    9.4021    10.795  3.9136  12.406  2.8841  -1.611164      4.861509 
1 1 1 -32 -4  14 o 10.829  2.2936  11.094    7.1837    33.449    14.119    3.2857    8.3445    14.727  3.6077  6.9296  2.8330  7.797864       4.587111 
1 1 1 -32 -4  15 o 13.561  2.5923  28.026    9.0803    29.194    16.791    27.543    10.795    13.563  4.1950  13.559  3.0467  0.4397392E-02  5.184599 
1 1 1 -32 -4  16 o 5.3833  1.8200  -10.2852  5.5762    -2.8342   12.145    -12.2754  6.2769    7.0482  3.1489  3.7183  1.8261  3.329864       3.640074 
1 1 1 -32 -4  17 o 8.0291  2.3614  4.7064    7.7066    2.5983    15.003    5.4620    8.9822    8.5031  3.6552  7.5552  2.9907  0.9478874      4.722786 
1 1 1 -32 -4  18 o 20.398  2.7907  71.598    13.527    49.588    23.702    82.230    16.473    16.935  4.9278  23.861  2.6207  -6.925615      5.581358 
1 1 1 -32 -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  10 o 25.514  1.9414  93.932    12.388    91.088    20.736    95.510    15.447    24.929  3.1778  26.100  2.2311  -1.171085      3.882818 
1 1 1 -32 -3  11 o 34.877  1.9578  174.510   17.378    171.443   28.708    176.285   21.833    34.302  3.1602  35.452  2.3119  -1.150368      3.915564 
1 1 1 -32 -3  12 o 7.0890  1.9467  5.0318    5.3348    -1.6622   10.061    7.6502    6.2923    6.5985  2.9114  7.5796  2.5850  -0.9810658     3.893348 
1 1 1 -32 -3  13 o 15.640  2.3314  35.745    8.9195    39.694    15.948    33.948    10.760    16.017  3.7785  15.263  2.7322  0.7533550      4.662856 
1 1 1 -32 -3  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  15 o 10.218  2.4923  13.640    7.5803    18.466    14.542    11.839    8.8825    11.259  3.9257  9.1765  3.0715  2.082851       4.984512 
1 1 1 -32 -3  16 o 7.8906  2.2747  5.2328    6.8435    3.5664    13.833    5.7728    7.8746    8.4127  3.5591  7.3685  2.8337  1.044193       4.549447 
1 1 1 -32 -3  17 o 10.986  2.4611  19.076    8.8550    4.1951    16.246    25.366    10.562    9.0040  3.8351  12.968  3.0855  -3.963750      4.922240 
1 1 1 -32 -3  18 o 21.540  2.4817  68.053    13.127    79.355    23.016    62.605    15.981    22.489  3.9660  20.592  2.9845  1.897104       4.963465 
1 1 1 -32 -3  19 o 26.578  2.3866  104.005   15.784    115.598   27.237    98.142    19.368    27.249  3.8382  25.907  2.8375  1.341877       4.773151 
1 1 1 -32 -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  12 o 15.479  2.0849  34.299    7.9368    38.347    13.799    32.297    9.7021    15.977  3.3325  14.981  2.5064  0.9956465      4.169780 
1 1 1 -32 -2  13 o 17.631  2.3142  48.064    9.7469    41.267    17.131    51.317    11.852    16.249  3.9700  19.012  2.3795  -2.763470      4.628496 
1 1 1 -32 -2  14 o 8.6515  2.2385  8.1639    6.1412    13.583    11.939    6.2145    7.1611    9.9763  3.5502  7.3268  2.7277  2.649446       4.477086 
1 1 1 -32 -2  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  16 o 16.166  2.5825  46.719    10.962    21.377    19.648    58.172    13.208    12.165  4.5203  20.167  2.4987  -8.002204      5.164914 
1 1 1 -32 -2  17 o 18.214  2.5490  47.462    11.388    62.610    20.345    40.549    13.743    20.019  3.9344  16.409  3.2420  3.610815       5.098065 
1 1 1 -32 -2  18 o 30.355  2.3200  140.536   17.325    123.923   28.737    150.023   21.716    28.289  3.8958  32.420  2.5206  -4.130877      4.640092 
1 1 1 -32 -2  19 o 14.056  2.7885  32.478    10.681    27.172    19.265    34.833    12.835    13.009  4.5194  15.103  3.2677  -2.093606      5.576991 
1 1 1 -32 -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 -1  13 o 23.428  1.9572  76.995    11.520    85.767    19.708    72.441    14.199    24.221  3.1097  22.636  2.3774  1.585346       3.914365 
1 1 1 -32 -1  14 o 7.7905  1.8216  7.3401    5.6406    -11.5796  10.754    14.520    6.6250    5.6098  2.6610  9.9713  2.4885  -4.361474      3.643237 
1 1 1 -32 -1  15 o 14.943  2.4335  33.933    9.0677    33.667    16.044    34.058    10.991    14.632  3.9858  15.253  2.7932  -0.6216068     4.867063 
1 1 1 -32 -1  16 o 32.554  2.4583  157.933   21.093    153.271   29.293    162.954   30.398    32.061  3.4662  33.046  3.4869  -0.9849434     4.916621 
1 1 1 -32 -1  17 o 25.510  2.2437  94.602    14.342    101.410   24.267    90.948    17.779    25.882  3.5978  25.138  2.6819  0.7434139      4.487429 
1 1 1 -32 -1  18 o 33.846  2.1437  165.678   18.528    175.626   30.797    160.035   23.195    34.270  3.4000  33.422  2.6118  0.8481064      4.287385 
1 1 1 -32 -1  19 o 21.410  2.6316  71.219    13.681    70.118    23.594    71.777    16.792    20.726  4.3868  22.095  2.9081  -1.369009      5.263239 
1 1 1 -32 -1  20 o 10.750  2.7311  16.126    9.3749    19.528    17.240    14.698    11.171    11.471  4.2398  10.028  3.4438  1.442973       5.462211 
1 1 1 -32 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   14 o 35.963  2.0238  185.031   18.565    188.881   30.843    182.844   23.248    35.914  3.2412  36.012  2.4242  -0.9861374E-01 4.047521 
1 1 1 -32 0   15 o 20.673  2.2930  63.819    11.461    61.763    19.851    64.848    14.037    20.024  3.8408  21.322  2.5057  -1.297329      4.585929 
1 1 1 -32 0   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 0   17 o 16.575  2.5838  46.297    10.747    30.927    18.868    53.679    13.076    13.852  4.4685  19.299  2.5953  -5.446900      5.167514 
1 1 1 -32 0   18 o 32.947  2.0797  155.307   17.549    169.878   29.215    147.083   21.950    33.835  3.2642  32.059  2.5779  1.775387       4.159443 
1 1 1 -32 0   19 o 11.896  2.7239  22.747    10.241    12.679    18.082    27.502    12.426    10.482  4.2119  13.310  3.4552  -2.828828      5.447805 
1 1 1 -32 0   20 o 21.574  2.6464  73.019    13.879    71.565    23.830    73.766    17.075    20.813  4.4115  22.334  2.9245  -1.520796      5.292885 
1 1 1 -32 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 1   14 o 19.679  1.9339  52.940    9.5546    67.549    16.436    45.482    11.743    21.549  2.9230  17.809  2.5331  3.740305       3.867884 
1 1 1 -32 1   15 o 18.134  2.2632  47.756    9.9920    52.460    17.622    45.528    12.130    18.506  3.6848  17.763  2.6290  0.7426910      4.526480 
1 1 1 -32 1   16 o 12.823  2.3366  27.551    8.6484    11.564    14.802    35.838    10.657    9.9317  3.8667  15.714  2.6244  -5.782532      4.673220 
1 1 1 -32 1   17 o 14.044  2.8194  31.406    11.078    29.599    16.906    32.765    14.665    13.618  4.2089  14.469  3.7524  -0.8513823     5.638758 
1 1 1 -32 1   18 o 8.7185  2.3273  8.8588    7.9871    -5.0845   14.959    14.419    9.4464    7.5356  3.4192  9.9014  3.1584  -2.365712      4.654669 
1 1 1 -32 1   19 o 27.597  2.5668  124.236   16.463    91.027    27.428    142.938   20.583    23.550  4.5127  31.645  2.4474  -8.095221      5.133603 
1 1 1 -32 1   20 o 15.302  2.7234  39.459    10.847    31.044    19.626    43.160    13.015    13.626  4.5656  16.977  2.9703  -3.351314      5.446825 
1 1 1 -32 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 2   15 o 18.963  2.1448  51.794    10.082    57.059    17.183    49.030    12.450    19.470  3.4198  18.456  2.5897  1.013412       4.289690 
1 1 1 -32 2   16 o 19.231  2.2543  53.405    10.699    60.699    18.478    49.727    13.122    19.959  3.5884  18.504  2.7295  1.454693       4.508547 
1 1 1 -32 2   17 o 10.980  4.2269  15.805    17.534    15.805    17.534    0.0000    0.0000    10.980  4.2269  ?       ?       ?              ?        
1 1 1 -32 2   18 f 18.074  2.5896  50.790    11.491    50.034    19.920    51.166    14.067    17.527  4.2802  18.620  2.9163  -1.093102      5.179266 
1 1 1 -32 2   19 o 8.6501  2.4747  7.3135    8.7669    -0.6717   16.349    10.536    10.387    8.3385  3.6935  8.9618  3.2946  -0.6232843     4.949379 
1 1 1 -32 2   20 o 7.9547  2.2553  3.1710    8.6655    -22.5263  16.364    13.185    10.215    6.3559  3.0830  9.5535  3.2925  -3.197586      4.510573 
1 1 1 -32 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   15 o 12.700  2.2033  27.596    7.8633    10.586    13.881    35.634    9.5421    9.6053  3.7432  15.794  2.3252  -6.188528      4.406570 
1 1 1 -32 3   16 o 11.375  2.3269  20.767    7.6953    11.678    13.783    24.884    9.2756    9.7745  3.7513  12.976  2.7540  -3.201180      4.653744 
1 1 1 -32 3   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 3   18 o 15.462  2.6379  34.586    10.251    48.534    18.394    28.302    12.346    17.402  4.0263  13.523  3.4094  3.879614       5.275877 
1 1 1 -32 3   19 o 6.9753  2.2552  -4.7147   9.0400    -14.9793  16.961    -0.6415   10.684    7.0753  3.3519  6.8752  3.0180  0.2000656      4.510362 
1 1 1 -32 3   20 o 10.968  2.4400  18.989    7.7134    14.428    15.099    20.600    8.9726    10.291  3.9319  11.645  2.8903  -1.353549      4.879915 
1 1 1 -32 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   15 o 35.054  1.9270  174.433   17.491    186.078   28.390    167.308   22.207    35.748  2.9925  34.361  2.4285  1.387817       3.853913 
1 1 1 -32 4   16 o 15.188  2.4373  34.747    9.2474    37.488    16.126    33.404    11.288    15.380  3.9069  14.997  2.9151  0.3836317      4.874598 
1 1 1 -32 4   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 4   18 o 21.991  2.5767  75.915    13.610    70.746    23.527    78.515    16.685    20.778  4.3663  23.204  2.7373  -2.426619      5.153356 
1 1 1 -32 4   19 o 8.4544  2.4371  3.4300    7.8676    15.429    15.512    -0.7258   9.1290    10.547  3.9959  6.3620  2.7912  4.184785       4.874226 
1 1 1 -32 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 5   15 o 9.0297  2.2261  11.139    6.2675    10.126    11.700    11.547    7.4223    9.1233  3.4670  8.9361  2.7932  0.1871538      4.452228 
1 1 1 -32 5   16 o 8.3410  2.1497  9.0999    6.3560    0.6649    12.271    12.192    7.4303    7.5504  3.2756  9.1316  2.7848  -1.581233      4.299347 
1 1 1 -32 5   17 o 24.164  5.1793  101.462   32.514    101.462   32.514    0.0000    0.0000    24.164  5.1793  ?       ?       ?              ?        
1 1 1 -32 5   18 o 7.5920  2.3822  -0.2178   8.7279    -1.8187   16.936    0.3611    10.184    8.3068  3.7143  6.8773  2.9838  1.429510       4.764368 
1 1 1 -32 5   19 o 26.176  2.6457  111.141   16.251    95.364    28.171    119.009   19.895    23.757  4.5933  28.596  2.6268  -4.838409      5.291356 
1 1 1 -32 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 6   15 o 7.9664  2.0559  8.2713    5.6305    0.9777    11.523    10.559    6.4533    7.3941  3.1909  8.5387  2.5933  -1.144579      4.111862 
1 1 1 -32 6   16 o 22.194  2.3358  74.557    12.557    73.129    21.724    75.273    15.388    21.546  3.9082  22.841  2.5592  -1.294922      4.671500 
1 1 1 -32 6   17 o 18.529  2.8812  55.944    13.792    52.931    21.192    58.157    18.165    17.761  4.4607  19.297  3.6480  -1.535889      5.762411 
1 1 1 -32 6   18 o 17.594  2.9053  52.325    12.872    46.028    22.848    55.253    15.580    16.105  4.8770  19.083  3.1587  -2.978081      5.810585 
1 1 1 -32 6   19 o 16.227  2.7158  33.776    11.379    75.242    21.818    18.282    13.337    21.581  3.9187  10.873  3.7612  10.70846       5.431677 
1 1 1 -32 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 7   15 o 23.382  2.2870  83.324    12.855    77.643    22.238    86.176    15.753    22.231  3.8755  24.533  2.4293  -2.302158      4.573942 
1 1 1 -32 7   16 o 21.702  2.7007  68.807    15.359    0.0000    0.0000    68.807    15.359    ?       ?       21.702  2.7007  ?              ?        
1 1 1 -32 7   17 o 7.1103  2.2833  -3.6396   8.1167    0.6333    16.328    -5.0421   9.3543    8.4269  3.7140  5.7936  2.6571  2.633273       4.566641 
1 1 1 -32 7   18 o 11.583  2.5593  22.903    9.8962    3.1783    18.872    30.384    11.622    9.1637  4.0170  14.003  3.1722  -4.839425      5.118553 
1 1 1 -32 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   14 o 13.933  3.3688  29.705    14.418    44.394    25.356    22.685    17.528    15.782  5.1859  12.085  4.3015  3.696104       6.737695 
1 1 1 -32 8   15 o 23.029  2.3142  77.769    13.058    88.086    23.082    72.913    15.835    23.721  3.7581  22.337  2.7015  1.384256       4.628358 
1 1 1 -32 8   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 8   17 o 14.740  2.9694  35.707    11.510    38.570    21.850    34.608    13.542    14.701  4.8132  14.778  3.4789  -0.7633972E-01 5.938861 
1 1 1 -32 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 9   14 o 11.551  3.1802  19.239    14.337    7.8947    25.655    24.391    17.289    10.770  4.7034  12.332  4.2815  -1.561600      6.360302 
1 1 1 -32 9   15 o 20.513  2.7427  67.877    13.455    65.564    24.022    68.934    16.242    19.499  4.6624  21.527  2.8897  -2.028383      5.485331 
1 1 1 -32 9   16 f 12.655  2.4967  14.033    8.9144    54.015    18.743    2.3447    10.134    18.163  3.9641  7.1478  3.0364  11.01490       4.993323 
1 1 1 -32 9   17 o 11.531  2.8426  22.072    10.739    12.821    21.300    25.225    12.435    10.570  4.4411  12.492  3.5495  -1.922596      5.685261 
1 1 1 -32 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  13 o 16.974  3.1421  50.694    14.520    41.077    23.888    56.328    18.285    15.123  5.0367  18.825  3.7581  -3.702258      6.284217 
1 1 1 -32 10  14 f 12.053  2.7731  23.045    9.7024    22.974    18.424    23.072    11.413    12.003  4.3916  12.102  3.3872  -0.9895515E-01 5.546114 
1 1 1 -32 10  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 10  16 o 9.0064  2.6442  8.3206    9.9084    1.7101    19.712    10.555    11.462    9.0471  4.0290  8.9657  3.4256  0.8140087E-01  5.288467 
1 1 1 -32 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 11  13 o 9.2404  2.6890  8.2991    10.847    4.0377    15.660    12.229    15.038    8.6632  3.7293  9.8177  3.8750  -1.154490      5.378028 
1 1 1 -32 11  14 o 15.596  2.9152  48.185    13.079    19.025    27.610    56.623    14.852    11.853  5.0222  19.338  2.9616  -7.485223      5.830421 
1 1 1 -32 11  15 o 19.706  3.0451  68.833    14.709    60.736    26.453    72.458    17.697    17.715  5.2207  21.697  3.1363  -3.981953      6.090284 
1 1 1 -32 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 12  12 o 16.964  3.4121  53.746    16.250    46.371    27.863    57.548    20.005    15.392  5.4292  18.536  4.1345  -3.143760      6.824260 
1 1 1 -32 12  13 o 9.2831  2.6029  5.0793    9.0340    23.958    17.534    -1.7441   10.541    11.988  4.2984  6.5787  2.9368  5.408875       5.205853 
1 1 1 -32 12  14 o 30.634  2.7374  158.809   19.870    129.094   32.960    175.774   24.904    26.910  4.7463  34.358  2.7287  -7.447685      5.474763 
1 1 1 -32 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 13  11 o 32.821  3.1645  184.652   25.853    178.702   41.875    188.317   32.864    31.194  5.1946  34.448  3.6157  -3.254559      6.329032 
1 1 1 -32 13  12 o 5.2642  1.8281  -13.8182  7.0726    -19.8167  15.046    -12.1167  8.0131    6.0894  2.9543  4.4389  2.1541  1.650514       3.656200 
1 1 1 -32 13  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 14  10 o 20.962  3.5195  82.335    18.958    81.154    31.856    82.982    23.590    19.779  5.7008  22.145  4.1291  -2.365953      7.039088 
1 1 1 -32 14  11 o 19.466  2.7867  67.734    13.354    51.253    22.537    76.652    16.577    16.438  4.8115  22.494  2.8129  -6.055878      5.573433 
1 1 1 -32 15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 15  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 15  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 15  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 15  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 15  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 15  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 15  9  o 9.0382  2.8540  3.9092    13.139    -0.7214   25.143    5.6489    15.411    9.4406  4.3395  8.6358  3.7081  0.8048277      5.708010 
1 1 1 -32 15  10 o 8.8690  2.5656  9.3751    9.5681    2.1266    17.726    12.355    11.366    8.5511  3.8135  9.1869  3.4332  -0.6357498     5.131235 
1 1 1 -32 16  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 16  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 16  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 16  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 16  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 16  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 16  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 16  8  f 8.3283  2.4979  5.0001    8.6674    12.275    16.782    2.3536    10.122    9.6672  3.9922  6.9894  3.0033  2.677796       4.995751 
1 1 1 -32 17  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 17  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 17  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 17  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 17  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 17  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 18  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 18  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 18  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -32 18  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -9  3  f 20.226  2.9723  66.015    15.484    63.146    23.273    68.294    20.740    19.543  4.5337  20.908  3.8450  -1.364939      5.944608 
1 1 1 -31 -9  4  o 19.893  2.8070  61.963    14.348    64.565    21.665    59.931    19.149    20.133  4.1553  19.652  3.7750  0.4813881      5.614013 
1 1 1 -31 -9  5  o 13.801  2.7251  26.674    11.303    49.081    17.815    11.576    14.623    17.717  3.8630  9.8859  3.8449  7.830929       5.450286 
1 1 1 -31 -9  6  o 24.929  2.5071  93.256    16.203    98.083    24.213    89.341    21.806    25.430  3.6603  24.427  3.4270  1.002174       5.014204 
1 1 1 -31 -9  7  o 16.880  2.8223  43.419    12.683    60.189    19.491    31.104    16.703    19.754  3.8219  14.006  4.1539  5.747874       5.644625 
1 1 1 -31 -9  8  o 15.042  2.6841  33.122    11.816    57.737    17.934    14.243    15.706    19.519  3.5616  10.565  4.0164  8.954165       5.368112 
1 1 1 -31 -9  9  o 7.7762  2.3392  2.1862    8.4967    -3.5984   14.286    5.3523    10.569    7.5849  3.4000  7.9675  3.2136  -0.3826194     4.678400 
1 1 1 -31 -9  10 o 10.396  2.6745  12.648    9.7310    22.614    15.538    6.2166    12.482    12.218  4.0618  8.5748  3.4804  3.643210       5.349002 
1 1 1 -31 -9  11 o 11.077  2.7949  17.441    10.535    12.980    16.833    20.314    13.508    10.512  4.1150  11.641  3.7832  -1.128889      5.589820 
1 1 1 -31 -9  12 o 11.635  2.8871  19.761    11.040    18.297    17.589    20.713    14.181    11.514  4.2771  11.755  3.8790  -0.2416115     5.774132 
1 1 1 -31 -9  13 o 12.102  3.2674  16.869    12.337    30.102    27.613    13.569    13.790    14.005  5.3253  10.198  3.7874  3.807323       6.534750 
1 1 1 -31 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -9  15 f 10.123  4.0740  10.651    16.946    10.651    16.946    0.0000    0.0000    10.123  4.0740  ?       ?       ?              ?        
1 1 1 -31 -9  16 o 26.245  2.7419  105.096   18.407    129.969   27.122    83.858    25.062    29.440  3.5086  23.051  4.2145  6.389292       5.483814 
1 1 1 -31 -8  1  o 17.285  2.8288  47.382    12.766    49.428    19.284    45.785    17.032    17.508  4.1716  17.063  3.8217  0.4447479      5.657593 
1 1 1 -31 -8  2  o 6.6994  2.1679  -7.9901   8.3537    0.7935    14.081    -12.7608  10.377    8.0561  3.5018  5.3427  2.5565  2.713350       4.335706 
1 1 1 -31 -8  3  o 14.252  2.6107  28.484    10.972    53.027    17.201    11.646    14.247    18.645  3.5745  9.8591  3.8060  8.785796       5.221340 
1 1 1 -31 -8  4  o 17.583  2.7828  50.571    13.060    31.784    19.495    65.870    17.592    14.078  4.5421  21.087  3.2165  -7.008794      5.565695 
1 1 1 -31 -8  5  o 23.056  2.5484  80.861    15.007    73.105    22.354    87.224    20.247    21.747  3.9845  24.365  3.1781  -2.617931      5.096713 
1 1 1 -31 -8  6  o 22.697  2.4990  76.424    14.511    94.917    21.563    61.119    19.617    25.408  3.2424  19.986  3.8036  5.422743       4.998011 
1 1 1 -31 -8  7  f 14.774  2.7175  32.013    11.256    49.723    17.405    19.281    14.757    18.043  3.7248  11.506  3.9578  6.536856       5.434926 
1 1 1 -31 -8  8  o 12.245  2.6400  23.015    10.277    9.8727    15.997    32.253    13.412    9.9100  3.9688  14.579  3.4823  -4.669031      5.279965 
1 1 1 -31 -8  9  o 12.007  2.7361  21.825    10.161    16.690    15.722    25.507    13.315    11.085  4.0567  12.929  3.6726  -1.843630      5.472163 
1 1 1 -31 -8  10 o 11.761  2.6995  20.426    10.517    8.3264    16.234    29.178    13.807    9.7161  3.9595  13.807  3.6704  -4.090740      5.398971 
1 1 1 -31 -8  11 o 12.516  2.8348  22.736    10.716    30.410    16.781    17.453    13.924    13.959  4.1690  11.073  3.8424  2.885567       5.669658 
1 1 1 -31 -8  12 o 7.5859  2.3472  -0.3774   8.8758    -3.8950   14.822    1.5891    11.082    7.7235  3.4626  7.4484  3.1699  0.2751350      4.694458 
1 1 1 -31 -8  13 o 9.9314  2.7080  9.9139    10.095    18.143    16.335    4.8286    12.841    11.419  4.1417  8.4433  3.4899  2.976163       5.416026 
1 1 1 -31 -8  14 o 9.1664  2.6506  7.0117    10.259    3.3309    16.614    9.2797    13.042    9.0571  3.8685  9.2757  3.6245  -0.2185888     5.301156 
1 1 1 -31 -8  15 o 27.700  2.6458  116.825   18.785    99.927    27.301    132.019   25.888    25.405  4.1559  29.994  3.2756  -4.589125      5.291573 
1 1 1 -31 -8  16 o 21.362  4.3707  72.378    24.165    0.0000    0.0000    72.378    24.165    ?       ?       21.362  4.3707  ?              ?        
1 1 1 -31 -8  17 o 27.392  3.8062  114.175   27.172    114.175   27.172    0.0000    0.0000    27.392  3.8062  ?       ?       ?              ?        
1 1 1 -31 -8  18 o 11.788  2.9662  16.376    13.903    -7.2252   20.677    35.852    18.783    8.7003  3.9754  14.875  4.4035  -6.175221      5.932473 
1 1 1 -31 -7  1  o 27.295  2.3492  111.234   16.649    102.801   24.476    118.496   22.713    26.094  3.5977  28.497  3.0218  -2.403088      4.698330 
1 1 1 -31 -7  2  o 21.382  2.5104  68.630    13.802    72.338    20.777    65.701    18.464    21.814  3.6873  20.949  3.4077  0.8649540      5.020842 
1 1 1 -31 -7  3  o 18.194  2.6703  51.391    12.518    45.933    18.717    55.808    16.839    17.065  4.1378  19.322  3.3765  -2.257504      5.340570 
1 1 1 -31 -7  4  o 18.256  2.6371  50.758    12.410    52.261    18.510    49.532    16.726    18.421  3.8742  18.090  3.5786  0.3309422      5.274117 
1 1 1 -31 -7  5  o 23.597  2.4110  82.052    14.500    103.774   21.311    63.328    19.786    26.768  3.0254  20.426  3.7549  6.342270       4.822036 
1 1 1 -31 -7  6  o 3.9013  1.6787  -4.4387   2.9714    -35.2640  8.5283    -0.1795   3.1700    ?       ?       3.9013  1.6787  ?              ?        
1 1 1 -31 -7  7  o 10.603  2.6691  15.380    9.4919    14.733    14.556    15.858    12.520    10.594  3.8993  10.611  3.6457  -0.1651001E-01 5.338182 
1 1 1 -31 -7  8  o 10.809  2.5403  15.467    9.7980    0.5544    14.913    26.795    12.997    8.3259  3.6115  13.292  3.5735  -4.965669      5.080577 
1 1 1 -31 -7  9  o 13.716  2.6721  29.380    10.526    19.405    15.810    37.322    14.108    11.665  4.0917  15.766  3.4376  -4.101609      5.344110 
1 1 1 -31 -7  10 f 7.6922  2.2945  2.4752    7.9074    2.0042    12.853    2.7620    10.030    8.0164  3.4127  7.3680  3.0681  0.6484027      4.589097 
1 1 1 -31 -7  11 o 5.2965  1.7627  -7.7728   6.1339    -15.8860  11.358    -4.4323   7.2880    5.4460  2.6233  5.1471  2.3550  0.2988873      3.525327 
1 1 1 -31 -7  12 o 10.130  2.6515  12.186    9.3861    17.679    15.130    8.7490    11.968    11.259  3.9976  9.0015  3.4845  2.257976       5.303092 
1 1 1 -31 -7  13 o 8.3188  2.4577  -0.0389   9.3464    12.288    15.037    -7.8003   11.931    10.205  3.9178  6.4326  2.9686  3.772358       4.915493 
1 1 1 -31 -7  14 o 31.317  2.4503  144.798   20.110    136.921   29.182    151.921   27.751    30.332  3.6663  32.302  3.2517  -1.969830      4.900555 
1 1 1 -31 -7  15 o 9.1447  2.4896  7.1780    9.6607    -8.0981   15.452    16.980    12.378    7.4370  3.4124  10.852  3.6259  -3.415317      4.979156 
1 1 1 -31 -7  16 o 29.153  2.2045  120.919   16.126    132.096   27.736    115.212   19.820    29.835  3.5398  28.471  2.6286  1.363159       4.409098 
1 1 1 -31 -7  17 o 11.774  2.8285  17.712    9.5588    28.595    19.096    14.073    11.042    13.535  4.5030  10.012  3.4242  3.523517       5.657085 
1 1 1 -31 -7  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -7  19 o 19.243  2.8714  61.765    13.424    47.896    24.024    68.061    16.186    16.847  4.9782  21.639  2.8629  -4.792477      5.742772 
1 1 1 -31 -7  20 o 17.466  2.8799  44.048    12.526    63.868    22.689    35.360    15.022    19.890  4.3776  15.043  3.7434  4.847405       5.759879 
1 1 1 -31 -6  1  o 17.158  2.6744  46.494    11.948    37.308    18.033    53.683    15.952    15.307  4.2483  19.009  3.2498  -3.702053      5.348738 
1 1 1 -31 -6  2  o 9.3905  2.5459  10.176    8.8650    10.536    13.859    9.9266    11.533    9.6516  3.7460  9.1294  3.4487  0.5222654      5.091786 
1 1 1 -31 -6  3  o 6.2752  1.9916  -3.2258   6.7665    -2.7152   10.924    -3.5437   8.6194    6.7376  3.0000  5.8127  2.6203  0.9248900      3.983172 
1 1 1 -31 -6  4  o 10.016  2.5712  13.198    8.9416    10.437    13.739    15.227    11.777    9.6410  3.7332  10.390  3.5365  -0.7492733     5.142307 
1 1 1 -31 -6  5  o 23.896  2.3751  83.681    14.390    108.555   21.158    62.271    19.630    27.493  2.9178  20.299  3.7485  7.194000       4.750271 
1 1 1 -31 -6  6  o 9.3909  2.4466  9.7325    8.2089    16.679    12.740    4.8015    10.734    10.835  3.6783  7.9472  3.2269  2.887312       4.893159 
1 1 1 -31 -6  7  o 18.437  2.5222  50.583    11.979    57.365    17.725    44.882    16.251    19.628  3.4999  17.246  3.6328  2.382074       5.044420 
1 1 1 -31 -6  8  o 6.1553  1.9376  -2.1940   6.2072    -3.2951   10.436    -1.5913   7.7214    6.5153  2.9143  5.7953  2.5541  0.7200770      3.875132 
1 1 1 -31 -6  9  f 9.0535  2.3925  8.0807    7.9519    15.972    12.467    2.6680    10.325    10.662  3.6385  7.4449  3.1075  3.217164       4.784943 
1 1 1 -31 -6  10 o 12.768  2.4786  21.766    9.8116    41.720    14.909    6.5231    13.031    16.715  3.4447  8.8214  3.5647  7.893507       4.957121 
1 1 1 -31 -6  11 o 19.511  2.6079  57.033    13.089    59.202    19.410    55.223    17.726    19.796  3.7989  19.225  3.5739  0.5707817      5.215777 
1 1 1 -31 -6  12 o 13.874  2.7301  30.079    10.995    19.022    16.578    38.764    14.692    11.683  4.1806  16.065  3.5123  -4.382257      5.460181 
1 1 1 -31 -6  13 o 22.476  2.3036  73.609    12.456    74.322    22.107    73.278    15.076    22.185  3.8605  22.766  2.5143  -0.5808048     4.607101 
1 1 1 -31 -6  14 o 7.6520  2.0990  4.6809    6.9453    -15.6094  14.124    11.152    7.9762    6.3659  3.0283  8.9381  2.9072  -2.572227      4.197963 
1 1 1 -31 -6  15 o 9.2928  2.4252  4.2250    7.5336    23.434    15.369    -1.8504   8.6432    12.487  4.0334  6.0981  2.6941  6.389370       4.850419 
1 1 1 -31 -6  16 o 14.612  2.7456  32.148    10.266    34.399    18.980    31.218    12.206    14.758  4.4397  14.466  3.2316  0.2925396      5.491273 
1 1 1 -31 -6  17 f 41.349  2.1028  241.411   22.438    262.707   37.020    229.045   28.210    42.474  3.2795  40.225  2.6328  2.248383       4.205573 
1 1 1 -31 -6  18 o 26.473  2.5403  109.463   15.869    89.577    27.089    119.853   19.580    23.860  4.4007  29.085  2.5388  -5.225077      5.080552 
1 1 1 -31 -6  19 o 7.0538  3.3006  -12.0606  15.559    0.0000    0.0000    -12.0606  15.559    ?       ?       7.0538  3.3006  ?              ?        
1 1 1 -31 -6  20 o 25.877  2.7760  102.109   18.554    113.915   27.845    92.681    24.883    27.223  3.9328  24.532  3.9188  2.691145       5.551960 
1 1 1 -31 -6  21 o 29.722  2.2692  125.872   17.126    148.661   29.152    113.862   21.164    31.437  3.5227  28.007  2.8614  3.430330       4.538411 
1 1 1 -31 -5  1  o 16.490  2.4573  42.708    10.546    28.587    15.626    54.519    14.291    13.572  4.0161  19.408  2.8325  -5.836284      4.914504 
1 1 1 -31 -5  2  f 14.982  2.4909  34.305    9.8221    30.971    14.603    37.059    13.273    14.193  3.7753  15.770  3.2504  -1.577091      4.981786 
1 1 1 -31 -5  3  f 9.6655  2.3863  12.701    7.6296    10.444    11.656    14.393    10.092    9.2909  3.4758  10.040  3.2704  -0.7491941     4.772501 
1 1 1 -31 -5  4  o 14.390  2.4844  31.025    9.4775    35.154    14.107    27.627    12.796    15.260  3.5226  13.521  3.5044  1.739548       4.968880 
1 1 1 -31 -5  5  o 7.6949  2.0273  3.4200    6.0007    13.824    9.7167    -2.9947   7.6294    9.8704  3.2087  5.5194  2.4787  4.351029       4.054579 
1 1 1 -31 -5  6  o 14.886  2.4558  33.061    9.6518    39.793    14.152    27.206    13.198    16.359  3.3426  13.413  3.5988  2.946306       4.911650 
1 1 1 -31 -5  7  o 17.862  2.9223  46.380    12.643    57.091    23.948    42.240    14.887    18.885  4.7414  16.839  3.4175  2.045771       5.844683 
1 1 1 -31 -5  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -5  9  o 25.869  4.6518  104.717   31.047    104.717   31.047    0.0000    0.0000    25.869  4.6518  ?       ?       ?              ?        
1 1 1 -31 -5  10 o 21.857  2.2868  73.954    11.701    57.325    20.022    82.578    14.419    19.389  3.9885  24.326  2.2381  -4.937712      4.573549 
1 1 1 -31 -5  11 f 29.913  2.3364  140.939   16.178    97.432    27.008    165.284   20.203    25.324  4.1237  34.502  2.1976  -9.178219      4.672730 
1 1 1 -31 -5  12 o 18.586  2.5443  58.532    11.223    34.087    19.652    70.364    13.672    14.764  4.5336  22.409  2.3110  -7.645024      5.088616 
1 1 1 -31 -5  13 o 14.550  2.3039  38.530    10.046    2.1567    17.805    55.515    12.167    9.2303  3.9750  19.870  2.3304  -10.63978      4.607730 
1 1 1 -31 -5  14 o 27.355  2.1988  109.111   14.811    104.256   25.269    111.653   18.281    26.512  3.6556  28.198  2.4446  -1.685936      4.397676 
1 1 1 -31 -5  15 o 23.060  2.2561  74.695    12.913    86.708    22.499    68.794    15.770    24.177  3.5828  21.943  2.7430  2.233820       4.512204 
1 1 1 -31 -5  16 f 21.662  2.4439  69.087    12.817    70.453    22.463    68.428    15.607    21.441  4.0601  21.884  2.7214  -0.4425316     4.887808 
1 1 1 -31 -5  17 o 19.354  2.4572  49.945    11.717    80.421    20.795    35.771    14.182    23.322  3.4315  15.385  3.5180  7.937236       4.914403 
1 1 1 -31 -5  18 o 13.435  2.8414  24.547    10.469    39.392    19.005    18.079    12.544    15.750  4.3578  11.120  3.6473  4.629510       5.682725 
1 1 1 -31 -5  19 o 16.670  2.7967  40.727    11.631    51.391    20.864    35.919    14.010    17.950  4.3786  15.389  3.4804  2.561619       5.593317 
1 1 1 -31 -5  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -5  21 o 12.422  2.9199  23.803    12.365    8.6633    19.766    33.536    15.848    10.269  4.2942  14.574  3.9577  -4.304921      5.839802 
1 1 1 -31 -5  22 o 11.363  2.9393  14.182    11.028    31.801    20.585    7.0888    13.061    13.937  4.6758  8.7891  3.5628  5.147695       5.878505 
1 1 1 -31 -4  1  f 34.023  1.9731  164.788   17.801    172.037   25.965    158.359   24.452    34.712  2.8169  33.335  2.7635  1.377293       3.946160 
1 1 1 -31 -4  2  o 23.294  2.0540  78.302    12.487    76.073    18.256    80.261    17.118    22.895  3.0531  23.693  2.7485  -0.7980824     4.107959 
1 1 1 -31 -4  3  f 13.434  2.2774  26.794    8.0711    28.861    11.940    25.055    10.953    13.900  3.2628  12.968  3.1781  0.9321098      4.554775 
1 1 1 -31 -4  4  o 13.894  2.2668  28.477    8.2790    33.681    12.209    24.047    11.264    15.104  3.1210  12.684  3.2882  2.420206       4.533570 
1 1 1 -31 -4  5  o 13.259  2.1158  28.878    7.2557    15.786    12.529    35.483    8.8999    10.625  3.6473  15.892  2.1456  -5.267735      4.231576 
1 1 1 -31 -4  6  o 28.828  1.7826  112.380   13.257    137.408   22.087    98.284    16.576    31.169  2.6714  26.488  2.3610  4.680676       3.565255 
1 1 1 -31 -4  7  o 15.752  1.9864  32.778    7.7717    49.933    13.443    24.166    9.5246    18.650  2.7758  12.853  2.8421  5.797300       3.972720 
1 1 1 -31 -4  8  o 13.838  2.2162  29.370    7.6906    24.390    13.413    31.809    9.3867    12.730  3.7079  14.945  2.4283  -2.214406      4.432304 
1 1 1 -31 -4  9  o 29.525  2.0509  129.346   14.864    107.364   24.552    142.064   18.676    27.067  3.4663  31.984  2.1933  -4.916925      4.101896 
1 1 1 -31 -4  10 o 28.917  2.0171  121.789   14.522    109.354   24.062    128.912   18.212    27.400  3.3484  30.434  2.2501  -3.034420      4.034130 
1 1 1 -31 -4  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -4  12 o 23.217  2.4877  88.197    13.050    56.676    22.312    104.588   16.089    19.018  4.4578  27.417  2.2097  -8.399107      4.975453 
1 1 1 -31 -4  13 o 22.969  2.2010  76.551    12.372    75.533    21.273    77.071    15.208    22.540  3.6482  23.398  2.4636  -0.8579063     4.402092 
1 1 1 -31 -4  14 o 23.417  2.1056  74.131    12.388    96.759    21.559    62.977    15.137    25.843  3.1817  20.992  2.7589  4.850290       4.211275 
1 1 1 -31 -4  15 o 19.962  2.3671  57.699    11.555    61.743    20.097    55.703    14.122    20.200  3.8550  19.723  2.7479  0.4769516      4.734156 
1 1 1 -31 -4  16 o 11.565  2.5441  20.773    9.1022    8.9419    16.542    25.912    10.901    9.9157  4.0130  13.214  3.1283  -3.298702      5.088250 
1 1 1 -31 -4  17 o 11.681  2.6351  20.969    9.4733    11.379    17.234    25.121    11.340    10.403  4.1349  12.959  3.2677  -2.556166      5.270232 
1 1 1 -31 -4  18 o 13.700  2.7919  29.372    10.515    25.503    18.769    31.141    12.694    13.005  4.4641  14.396  3.3542  -1.391566      5.583801 
1 1 1 -31 -4  19 o 13.272  2.7274  28.691    10.405    17.293    19.183    33.443    12.385    11.564  4.4285  14.980  3.1848  -3.416813      5.454814 
1 1 1 -31 -4  20 o 47.698  2.1227  325.918   26.245    337.941   42.503    318.509   33.365    48.023  3.3248  47.373  2.6400  0.6492081      4.245430 
1 1 1 -31 -4  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -4  22 o 19.278  2.8235  55.734    13.257    66.782    23.955    50.856    15.917    20.212  4.5361  18.344  3.3635  1.868601       5.647057 
1 1 1 -31 -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -3  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -3  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -3  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -3  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -3  8  o 24.265  1.8145  81.586    11.240    89.587    18.690    77.052    14.069    25.050  2.8354  23.480  2.2652  1.570473       3.629094 
1 1 1 -31 -3  9  o 15.077  2.0007  31.854    7.4710    36.986    12.834    29.222    9.1884    15.864  3.1314  14.290  2.4911  1.573667       4.001407 
1 1 1 -31 -3  10 o 19.860  1.9348  54.789    9.6339    62.125    16.367    50.900    11.917    20.722  3.0393  18.997  2.3952  1.724155       3.869638 
1 1 1 -31 -3  11 o 26.728  1.9912  102.574   13.283    98.543    22.312    104.786   16.531    26.042  3.2708  27.414  2.2718  -1.371265      3.982350 
1 1 1 -31 -3  12 o 15.523  2.3543  40.529    9.2152    21.633    15.986    49.932    11.277    12.187  4.1204  18.859  2.2788  -6.671606      4.708580 
1 1 1 -31 -3  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -3  14 o 8.8541  2.3181  9.4327    6.9004    8.1332    12.791    9.9660    8.1952    9.0760  3.5765  8.6323  2.9500  0.4437284      4.636188 
1 1 1 -31 -3  15 o 7.5768  2.1724  4.6764    6.4872    -1.2011   12.927    6.6546    7.4998    7.5860  3.3251  7.5675  2.7966  0.1849413E-01  4.344755 
1 1 1 -31 -3  16 o 10.981  2.4688  18.259    8.7311    5.6922    15.534    24.063    10.556    9.2250  3.8278  12.737  3.1191  -3.512381      4.937691 
1 1 1 -31 -3  17 o 31.543  2.1080  141.079   17.003    149.489   28.122    136.234   21.346    32.025  3.3270  31.060  2.5894  0.9652538      4.215930 
1 1 1 -31 -3  18 o 10.409  2.6021  14.893    8.6935    11.782    16.153    16.162    10.315    10.286  4.0298  10.531  3.2930  -0.2452049     5.204102 
1 1 1 -31 -3  19 f 28.977  2.3189  125.904   16.478    111.994   27.564    133.638   20.554    27.195  3.8955  30.760  2.5168  -3.565023      4.637784 
1 1 1 -31 -3  20 o 29.244  2.2404  122.454   16.509    133.268   28.085    116.744   20.407    29.894  3.5787  28.595  2.6963  1.299549       4.480717 
1 1 1 -31 -3  21 o 20.055  3.0969  59.248    16.099    0.0000    0.0000    59.248    16.099    ?       ?       20.055  3.0969  ?              ?        
1 1 1 -31 -3  22 o 12.046  3.2011  17.188    12.865    32.843    24.515    11.237    15.114    14.189  5.0832  9.9027  3.8923  4.286416       6.402245 
1 1 1 -31 -3  23 o 11.473  2.5802  20.823    10.671    -5.5961   19.864    31.539    12.651    8.6150  3.9209  14.331  3.3551  -5.715515      5.160391 
1 1 1 -31 -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  10 o 20.164  1.9088  58.211    9.5714    57.111    15.974    58.827    11.955    19.815  3.1124  20.513  2.2109  -0.6977406     3.817679 
1 1 1 -31 -2  11 o 12.492  2.0834  21.634    6.5563    27.591    11.473    18.745    7.9892    13.638  3.1964  11.345  2.6731  2.293807       4.166842 
1 1 1 -31 -2  12 o 26.216  1.9341  95.114    12.856    106.670   21.838    88.984    15.904    27.239  3.0453  25.194  2.3852  2.044912       3.868256 
1 1 1 -31 -2  13 o 21.330  2.1444  65.270    11.240    67.175    19.356    64.301    13.807    21.307  3.5141  21.354  2.4589  -0.4685402E-01 4.288896 
1 1 1 -31 -2  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  15 o 21.201  2.3321  66.093    12.080    64.824    20.629    66.755    14.903    20.717  3.8595  21.685  2.6188  -0.9679050     4.664129 
1 1 1 -31 -2  16 o 35.639  2.0514  178.023   18.862    194.255   31.009    168.489   23.764    36.692  3.1868  34.586  2.5839  2.105980       4.102725 
1 1 1 -31 -2  17 o 24.075  2.2061  79.918    13.476    102.480   22.690    67.621    16.751    26.515  3.2638  21.634  2.9690  4.880344       4.412195 
1 1 1 -31 -2  18 o 12.203  2.5838  23.736    9.8557    8.2794    17.328    31.128    11.983    9.9353  4.0745  14.470  3.1786  -4.534783      5.167694 
1 1 1 -31 -2  19 o 24.348  2.6466  95.180    15.033    71.128    25.492    108.003   18.614    21.075  4.6414  27.622  2.5445  -6.546402      5.293153 
1 1 1 -31 -2  20 o 16.732  2.6847  41.206    11.110    49.047    19.902    37.655    13.391    17.594  4.2670  15.870  3.2593  1.724432       5.369429 
1 1 1 -31 -2  21 o 19.666  2.8889  65.550    13.931    46.064    24.228    75.174    17.026    16.550  5.0245  22.782  2.8528  -6.232109      5.777897 
1 1 1 -31 -2  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -2  23 o 12.093  2.9875  21.615    11.196    24.580    20.645    20.379    13.326    12.644  4.6453  11.543  3.7579  1.100613       5.975013 
1 1 1 -31 -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  12 o 19.238  1.9873  52.173    9.4918    56.449    16.199    49.937    11.713    19.658  3.1856  18.817  2.3770  0.8406391      3.974676 
1 1 1 -31 -1  13 f 27.681  2.0128  109.004   14.029    109.991   23.551    108.462   17.466    27.522  3.2579  27.839  2.3647  -0.3169422     4.025667 
1 1 1 -31 -1  14 o 32.292  2.0091  146.984   16.597    153.689   27.465    143.127   20.830    32.632  3.1828  31.952  2.4525  0.6798458      4.018123 
1 1 1 -31 -1  15 o 39.849  4.7210  247.309   49.411    247.309   49.411    0.0000    0.0000    39.849  4.7210  ?       ?       ?              ?        
1 1 1 -31 -1  16 o 23.163  2.2084  76.733    12.817    81.837    21.521    73.928    15.955    23.523  3.5241  22.803  2.6623  0.7207890      4.416748 
1 1 1 -31 -1  17 o 17.772  2.4632  43.006    10.897    65.052    18.995    32.190    13.305    20.918  3.5150  14.627  3.4517  6.290946       4.926381 
1 1 1 -31 -1  18 o 17.766  2.6485  50.200    11.613    40.757    20.058    54.961    14.242    15.998  4.4950  19.535  2.8022  -3.537483      5.296909 
1 1 1 -31 -1  19 o 21.626  2.4790  69.046    13.171    71.909    22.541    67.562    16.229    21.617  4.0417  21.634  2.8716  -0.1745033E-01 4.957985 
1 1 1 -31 -1  20 f 10.285  2.6312  9.8329    8.7649    25.755    16.867    3.9425    10.259    12.941  4.2285  7.6290  3.1326  5.311496       5.262498 
1 1 1 -31 -1  21 o 18.476  2.7508  49.145    12.473    65.586    22.466    41.819    14.997    20.360  4.2566  16.592  3.4854  3.768465       5.501530 
1 1 1 -31 -1  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 -1  23 o 5.7134  1.9539  -11.4570  7.4194    -21.6313  16.364    -8.8242   8.3242    6.4616  3.1214  4.9653  2.3511  1.496261       3.907820 
1 1 1 -31 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 0   12 o 14.925  2.7501  36.191    11.218    24.128    19.188    42.455    13.828    12.844  4.5076  17.006  3.1518  -4.161994      5.500203 
1 1 1 -31 0   13 o 16.997  2.0678  40.316    8.6950    47.640    15.023    36.627    10.662    17.996  3.2358  15.998  2.5756  1.997280       4.135671 
1 1 1 -31 0   14 o 26.482  2.0334  99.732    13.587    102.193   22.712    98.361    16.956    26.496  3.2696  26.468  2.4186  0.2865791E-01  4.066886 
1 1 1 -31 0   15 o 9.5562  2.9620  13.070    8.3660    0.0000    0.0000    13.070    8.3660    ?       ?       9.5562  2.9620  ?              ?        
1 1 1 -31 0   16 o 23.437  2.1736  77.969    12.782    85.230    21.597    74.054    15.857    24.049  3.4518  22.826  2.6425  1.222065       4.347112 
1 1 1 -31 0   17 o 20.893  2.2694  59.787    11.861    81.413    20.325    48.618    14.607    23.562  3.3119  18.224  3.1036  5.338156       4.538812 
1 1 1 -31 0   18 o 27.905  2.1426  111.138   15.183    117.413   25.226    107.574   19.012    28.264  3.4003  27.546  2.6079  0.7183819      4.285253 
1 1 1 -31 0   19 o 29.901  2.2099  128.905   16.717    133.094   27.892    126.557   20.883    29.953  3.5453  29.848  2.6392  0.1051617      4.419829 
1 1 1 -31 0   20 o 10.572  2.4293  15.892    9.5543    -8.3160   17.300    26.515    11.461    7.8723  3.6116  13.271  3.2501  -5.398499      4.858649 
1 1 1 -31 0   21 o 11.532  2.8897  16.120    10.384    29.546    19.546    10.839    12.258    13.653  4.5564  9.4119  3.5554  4.240882       5.779390 
1 1 1 -31 0   22 o 13.259  3.8951  27.610    14.746    0.0000    0.0000    27.610    14.746    ?       ?       13.259  3.8951  ?              ?        
1 1 1 -31 0   23 o 11.736  3.0033  20.772    12.301    13.027    20.854    24.905    15.233    10.907  4.4710  12.566  4.0110  -1.658848      6.006529 
1 1 1 -31 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 1   13 o 18.062  1.9242  44.590    8.7222    55.843    14.829    38.637    10.785    19.671  2.9015  16.454  2.5282  3.217516       3.848399 
1 1 1 -31 1   14 o 10.562  2.2839  15.324    6.6232    19.152    12.105    13.688    7.9128    11.402  3.5676  9.7217  2.8526  1.680283       4.567796 
1 1 1 -31 1   15 o 16.044  2.3090  36.809    9.2315    43.338    15.752    33.394    11.393    16.969  3.5785  15.120  2.9189  1.849006       4.617991 
1 1 1 -31 1   16 o 11.779  4.3154  19.010    17.798    19.010    17.798    0.0000    0.0000    11.779  4.3154  ?       ?       ?              ?        
1 1 1 -31 1   17 o 13.747  2.5800  28.723    9.2935    28.007    16.300    29.069    11.312    13.487  4.1269  14.006  3.0976  -0.5189829     5.160022 
1 1 1 -31 1   18 o 28.179  2.2165  116.538   15.576    110.441   25.906    119.990   19.494    27.213  3.6458  29.145  2.5219  -1.932865      4.433099 
1 1 1 -31 1   19 o 23.419  2.4103  80.233    13.946    84.772    23.835    77.869    17.197    23.576  3.9114  23.261  2.8176  0.3150654      4.820592 
1 1 1 -31 1   20 o 26.260  2.3319  94.632    15.402    129.891   26.745    77.138    18.839    29.599  3.4376  22.922  3.1519  6.676800       4.663815 
1 1 1 -31 1   21 o 16.676  3.0468  44.994    13.201    42.945    23.304    45.963    16.020    16.002  4.9408  17.349  3.5666  -1.346748      6.093599 
1 1 1 -31 1   22 o 7.2664  2.3194  -3.0753   8.9356    -6.4100   16.404    -1.6683   10.655    7.7765  3.5485  6.7562  2.9878  1.020321       4.638810 
1 1 1 -31 1   23 o 11.885  2.7417  18.838    13.090    -15.6567  21.437    39.347    16.529    8.0905  3.8133  15.680  3.9404  -7.589333      5.483427 
1 1 1 -31 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   14 o 6.4548  1.8220  1.9486    4.3502    7.2830    8.4004    -0.0062   5.0852    7.9294  2.9538  4.9802  2.1340  2.949198       3.644071 
1 1 1 -31 2   15 o 11.127  2.1596  19.769    7.8572    0.0226    13.638    29.579    9.6129    7.9331  3.4474  14.320  2.6020  -6.387189      4.319125 
1 1 1 -31 2   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 2   17 o 41.864  2.0095  251.102   21.750    243.635   34.745    255.914   27.890    41.023  3.1871  42.704  2.4485  -1.680550      4.019036 
1 1 1 -31 2   18 o 30.083  2.3288  137.352   17.083    114.990   28.267    150.219   21.442    27.514  3.9488  32.651  2.4701  -5.136118      4.657659 
1 1 1 -31 2   19 o 21.538  2.4090  67.158    12.649    74.793    22.351    63.561    15.343    22.089  3.9214  20.987  2.7992  1.101988       4.817924 
1 1 1 -31 2   20 o 31.813  2.2345  141.474   18.093    172.796   30.998    125.290   22.282    34.144  3.4361  29.482  2.8577  4.662821       4.469099 
1 1 1 -31 2   21 o 18.446  2.9185  61.837    13.995    31.572    24.888    75.831    16.924    14.029  5.1085  22.863  2.8236  -8.833881      5.836920 
1 1 1 -31 2   22 o 10.995  2.1844  2.6330    8.0466    44.400    15.989    -11.5339  9.3118    16.925  3.6354  5.0647  2.4230  11.86026       4.368858 
1 1 1 -31 2   23 o 6.2506  1.7400  -1.0395   5.9130    -47.3806  14.009    9.0061    6.5225    4.4969  2.2787  8.0044  2.6302  -3.507464      3.479998 
1 1 1 -31 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   14 o 13.901  2.2090  31.909    7.9701    17.507    13.595    39.451    9.8381    11.083  3.7995  16.719  2.2544  -5.636417      4.417966 
1 1 1 -31 3   15 o 30.102  1.9100  127.141   14.853    136.236   24.113    121.580   18.855    30.792  2.9600  29.413  2.4146  1.379585       3.819966 
1 1 1 -31 3   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 3   17 o 15.747  2.5206  39.663    9.9617    30.772    17.502    43.923    12.116    14.024  4.2733  17.470  2.6743  -3.445754      5.041151 
1 1 1 -31 3   18 o 18.140  2.6436  55.755    11.761    34.694    20.411    66.223    14.390    14.712  4.6373  21.568  2.5396  -6.855392      5.287170 
1 1 1 -31 3   19 o 21.149  2.6422  68.071    13.484    67.726    23.667    68.237    16.408    20.614  4.4193  21.684  2.8975  -1.070358      5.284479 
1 1 1 -31 3   20 o 14.691  2.3625  19.850    10.330    72.419    19.591    -0.3958   12.158    21.972  3.4420  7.4102  3.2369  14.56178       4.724920 
1 1 1 -31 3   21 f 24.122  3.0397  102.702   16.907    65.435    29.355    121.199   20.681    19.210  5.4519  29.033  2.6900  -9.822763      6.079375 
1 1 1 -31 3   22 o 7.2330  3.1568  -0.0953   11.541    0.0000    0.0000    -0.0953   11.541    ?       ?       7.2330  3.1568  ?              ?        
1 1 1 -31 3   23 o 11.355  2.9000  18.990    10.553    18.629    20.542    19.119    12.301    11.563  4.5401  11.147  3.6092  0.4162436      5.799919 
1 1 1 -31 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   14 f 11.436  2.0694  21.363    6.6237    9.6603    11.692    26.893    8.0378    9.1243  3.4662  13.748  2.2615  -4.623499      4.138715 
1 1 1 -31 4   15 o 10.124  2.3345  14.108    6.8455    16.270    12.468    13.175    8.1903    10.693  3.6388  9.5546  2.9256  1.138740       4.669089 
1 1 1 -31 4   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 4   17 o 24.903  2.3626  94.567    14.088    81.419    23.976    101.500   17.410    23.001  4.0391  26.805  2.4521  -3.803995      4.725119 
1 1 1 -31 4   18 o 21.526  2.4584  64.537    13.169    88.953    22.806    52.323    16.130    24.332  3.6088  18.720  3.3394  5.611568       4.916767 
1 1 1 -31 4   19 o 13.116  2.8802  26.676    10.725    25.702    19.466    27.100    12.852    12.943  4.5403  13.289  3.5452  -0.3457832     5.760407 
1 1 1 -31 4   20 o 40.226  2.1780  226.259   22.558    277.460   38.068    198.551   28.004    43.353  3.3031  37.099  2.8397  6.253952       4.355997 
1 1 1 -31 4   21 o 37.230  2.3686  205.128   22.271    211.397   37.526    201.719   27.671    37.092  3.8324  37.367  2.7847  -0.2745171     4.737263 
1 1 1 -31 4   22 o 5.6113  2.6548  -10.4927  10.572    0.0000    0.0000    -10.4927  10.572    ?       ?       5.6113  2.6548  ?              ?        
1 1 1 -31 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   14 o 9.7060  2.1928  12.686    6.0413    16.186    10.999    11.174    7.2294    10.556  3.4125  8.8565  2.7548  1.698998       4.385635 
1 1 1 -31 5   15 o 11.941  2.3040  19.032    7.1560    29.204    13.104    14.709    8.5424    13.853  3.5233  10.028  2.9699  3.824671       4.608030 
1 1 1 -31 5   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 5   17 o 37.139  2.0315  194.147   19.435    214.380   32.220    182.575   24.366    38.374  3.1629  35.905  2.5502  2.468739       4.062971 
1 1 1 -31 5   18 o 33.542  2.1737  161.411   18.540    172.282   31.135    155.438   23.078    34.058  3.4612  33.027  2.6305  1.030136       4.347396 
1 1 1 -31 5   19 o 7.1811  2.1519  0.6040    5.8732    8.0321    13.137    -1.2516   6.5660    9.0069  3.6004  5.3554  2.3580  3.651527       4.303802 
1 1 1 -31 5   20 o 60.716  2.2710  535.935   36.126    574.006   57.633    511.296   46.365    61.963  3.4867  59.469  2.9108  2.493351       4.542005 
1 1 1 -31 5   21 o 23.634  2.7170  84.637    15.688    94.801    27.512    79.740    19.097    24.154  4.4152  23.115  3.1678  1.038834       5.434049 
1 1 1 -31 5   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 6   14 o 6.5516  1.9320  2.5385    5.0173    0.2087    10.437    3.2387    5.7219    7.0211  3.0334  6.0820  2.3935  0.9391193      3.863990 
1 1 1 -31 6   15 f 13.852  2.5477  29.435    9.1082    28.333    16.377    29.928    10.959    13.480  4.1386  14.225  2.9723  -0.7443943     5.095323 
1 1 1 -31 6   16 o 7.8269  2.1915  3.1217    6.4684    12.481    11.977    -0.7325   7.6857    9.7404  3.5443  5.9134  2.5786  3.827030       4.383029 
1 1 1 -31 6   17 o 10.382  2.6050  15.333    9.2497    5.4455    17.196    19.358    10.972    9.4196  3.9758  11.345  3.3672  -1.925800      5.210063 
1 1 1 -31 6   18 o 28.296  2.2478  111.882   16.062    139.873   27.851    97.935    19.660    30.606  3.4580  25.987  2.8726  4.619270       4.495539 
1 1 1 -31 6   19 o 19.831  2.7769  55.108    13.591    86.601    24.352    40.859    16.380    23.543  4.0052  16.119  3.8474  7.423943       5.553735 
1 1 1 -31 6   20 o 25.960  2.4863  97.470    16.104    119.994   28.066    86.415    19.663    27.791  3.8759  24.129  3.1152  3.661942       4.972674 
1 1 1 -31 6   21 o 9.7400  2.7357  11.216    10.459    3.9456    19.317    14.230    12.439    9.4500  4.1047  10.030  3.6178  -0.5799608     5.471464 
1 1 1 -31 6   22 o 16.378  5.0561  48.716    24.405    48.716    24.405    0.0000    0.0000    16.378  5.0561  ?       ?       ?              ?        
1 1 1 -31 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 7   13 o 17.679  3.5866  47.502    16.403    0.0000    0.0000    47.502    16.403    ?       ?       17.679  3.5866  ?              ?        
1 1 1 -31 7   14 o 20.931  2.1391  61.477    11.115    72.980    19.354    55.815    13.578    22.149  3.3684  19.713  2.6376  2.436264       4.278242 
1 1 1 -31 7   15 o 27.987  2.0492  102.857   14.372    160.079   24.915    74.322    17.594    33.392  2.8118  22.583  2.9816  10.80898       4.098314 
1 1 1 -31 7   16 o 12.962  2.7116  25.278    9.4256    27.353    17.753    24.463    11.123    13.210  4.3393  12.714  3.2528  0.4959936      5.423145 
1 1 1 -31 7   17 f 11.458  2.8571  19.058    10.424    17.871    19.106    19.561    12.438    11.528  4.4186  11.388  3.6233  0.1402407      5.714177 
1 1 1 -31 7   18 o 8.4978  2.2955  -0.6937   7.1247    21.984    14.598    -7.7852   8.1631    11.967  3.9350  5.0287  2.3650  6.938253       4.590989 
1 1 1 -31 7   19 o 19.044  2.9189  55.331    13.684    67.258    24.416    49.870    16.522    20.102  4.6301  17.986  3.5557  2.116488       5.837839 
1 1 1 -31 7   20 o 13.776  3.0223  27.816    11.511    42.467    21.313    21.783    13.677    15.744  4.6976  11.807  3.8039  3.936007       6.044627 
1 1 1 -31 7   21 o 25.750  2.9898  98.734    20.237    0.0000    0.0000    98.734    20.237    ?       ?       25.750  2.9898  ?              ?        
1 1 1 -31 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   13 o 20.591  3.2903  75.408    17.974    45.150    29.332    93.600    22.744    16.169  5.5788  25.012  3.4900  -8.843292      6.580542 
1 1 1 -31 8   14 o 23.317  2.2324  76.333    12.953    92.752    22.687    68.394    15.776    24.879  3.5015  21.756  2.7701  3.122578       4.464767 
1 1 1 -31 8   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 8   16 o 15.603  2.7361  31.894    10.924    60.243    20.471    20.607    12.916    19.566  4.0400  11.641  3.6911  7.925002       5.472253 
1 1 1 -31 8   17 o 16.989  2.7338  41.720    11.498    57.831    20.799    34.630    13.798    18.995  4.1997  14.984  3.5011  4.011010       5.467637 
1 1 1 -31 8   18 o 12.151  2.6841  24.432    10.974    2.9433    20.145    33.499    13.085    9.5456  4.1682  14.756  3.3829  -5.210920      5.368242 
1 1 1 -31 8   19 o 28.833  2.4507  122.228   17.747    141.741   30.508    112.247   21.819    30.113  3.8722  27.554  3.0050  2.558439       4.901444 
1 1 1 -31 8   20 o 19.522  2.8025  55.928    13.450    81.065    24.189    44.677    16.182    22.278  4.2080  16.765  3.7025  5.512657       5.604992 
1 1 1 -31 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 9   13 o 23.241  2.7309  82.992    16.391    79.013    22.670    87.351    23.727    22.636  3.8787  23.847  3.8455  -1.210882      5.461884 
1 1 1 -31 9   14 o 19.738  2.6533  58.351    12.701    64.929    22.681    55.345    15.331    20.120  4.3365  19.356  3.0586  0.7637768      5.306632 
1 1 1 -31 9   15 o 28.718  2.3529  119.741   16.849    132.857   29.209    113.201   20.626    29.459  3.7896  27.977  2.7898  1.482296       4.705756 
1 1 1 -31 9   16 o 17.394  2.9396  47.994    12.703    50.152    23.213    47.071    15.177    17.170  4.8394  17.618  3.3384  -0.4475517     5.879205 
1 1 1 -31 9   17 o 15.283  2.7451  30.283    11.060    62.032    20.576    17.382    13.117    19.741  4.0279  10.826  3.7309  8.914969       5.490281 
1 1 1 -31 9   18 o 26.013  2.4943  98.639    16.162    121.384   28.256    87.580    19.702    27.802  3.9019  24.224  3.1083  3.578075       4.988590 
1 1 1 -31 9   19 o 13.149  2.9906  28.003    11.325    28.763    21.248    27.702    13.385    13.128  4.7293  13.169  3.6619  -0.4050922E-01 5.981277 
1 1 1 -31 9   20 o 12.817  2.9317  22.875    10.738    41.600    20.324    15.623    12.648    15.390  4.5862  10.244  3.6531  5.146365       5.863305 
1 1 1 -31 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  12 o 17.720  3.1900  51.997    14.827    48.963    25.038    53.636    18.401    16.873  5.1045  18.567  3.8272  -1.694307      6.379948 
1 1 1 -31 10  13 o 6.9117  2.1107  1.7323    6.0265    -2.1035   13.704    2.6520    6.7102    7.5755  3.3673  6.2479  2.5458  1.327639       4.221370 
1 1 1 -31 10  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 10  15 o 16.907  2.8717  39.259    12.453    71.195    22.711    25.529    14.891    21.102  4.1660  12.712  3.9536  8.389514       5.743348 
1 1 1 -31 10  16 o 23.177  2.8088  86.573    15.429    78.689    27.153    90.332    18.751    21.535  4.8268  24.819  2.8737  -3.284555      5.617535 
1 1 1 -31 10  17 o 7.7652  2.4401  -0.9575   8.5864    4.1083    17.973    -2.4555   9.7739    9.2172  3.9814  6.3131  2.8223  2.904172       4.880285 
1 1 1 -31 10  18 o 9.0225  2.5661  8.5625    8.3539    9.4027    17.596    8.3181    9.4918    9.8003  4.0708  8.2447  3.1252  1.555575       5.132136 
1 1 1 -31 10  19 o 15.235  2.9845  31.853    12.095    64.395    23.066    19.512    14.205    19.317  4.5356  11.153  3.8804  8.163228       5.969017 
1 1 1 -31 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 11  11 o 19.592  2.9239  58.281    14.207    71.455    24.765    51.818    17.345    20.873  4.5573  18.311  3.6645  2.562672       5.847847 
1 1 1 -31 11  12 o 12.769  2.4529  28.084    9.5533    7.8235    17.245    37.054    11.475    9.6769  4.0257  15.861  2.8036  -6.183775      4.905762 
1 1 1 -31 11  13 o 6.3468  2.0856  -3.3659   6.2912    -9.0420   16.231    -2.3623   6.8247    7.4458  3.4454  5.2479  2.3514  2.197857       4.171284 
1 1 1 -31 11  14 o 14.761  2.9809  34.582    11.660    38.192    21.488    33.076    13.882    14.986  4.7618  14.536  3.5874  0.4497461      5.961866 
1 1 1 -31 11  15 o 25.987  2.5359  98.118    16.501    125.459   28.593    84.465    20.204    28.311  3.8722  23.663  3.2757  4.648256       5.071867 
1 1 1 -31 11  16 o 17.551  2.8782  44.014    12.600    72.346    23.199    32.159    15.006    20.994  4.2708  14.107  3.8596  6.887313       5.756378 
1 1 1 -31 11  17 o 12.631  3.0320  24.831    11.143    29.265    22.416    23.375    12.842    13.156  4.8394  12.106  3.6542  1.050120       6.064072 
1 1 1 -31 11  18 o 7.3993  2.3705  -1.0685   8.7440    -9.8842   19.473    1.1579    9.7861    7.9645  3.7154  6.8342  2.9450  1.130344       4.740962 
1 1 1 -31 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 12  11 o 9.1987  2.4713  8.5246    7.8902    17.195    14.457    4.8460    9.4164    10.881  3.9029  7.5166  3.0327  3.364141       4.942687 
1 1 1 -31 12  12 f 15.781  2.8247  38.078    11.431    47.599    19.907    33.394    13.963    16.967  4.3577  14.595  3.5953  2.372042       5.649367 
1 1 1 -31 12  13 o 29.884  2.3733  133.827   17.967    138.443   29.632    131.144   22.593    29.835  3.7939  29.933  2.8525  -0.9767342E-01 4.746647 
1 1 1 -31 12  14 o 26.914  2.6121  111.065   17.293    116.896   29.752    108.090   21.252    26.825  4.2851  27.003  2.9885  -0.1776142     5.224300 
1 1 1 -31 12  15 o 30.601  2.5303  142.211   19.248    153.309   33.157    136.570   23.640    30.847  4.1157  30.355  2.9445  0.4914589      5.060576 
1 1 1 -31 12  16 o 5.9901  2.0764  -19.4642  6.0542    4.3292    16.813    -23.0088  6.4895    8.9334  3.8548  3.0468  1.5446  5.886622       4.152747 
1 1 1 -31 12  17 o 14.658  3.1644  34.004    12.197    47.917    24.496    29.418    14.065    15.943  5.0861  13.372  3.7662  2.570067       6.328747 
1 1 1 -31 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 13  10 o 8.8806  2.2829  10.195    7.6743    -2.5546   13.842    15.852    9.2211    7.4999  3.3554  10.261  3.0963  -2.761490      4.565723 
1 1 1 -31 13  11 o 10.820  2.5269  8.6058    9.2571    37.153    16.945    -3.5375   11.052    15.067  4.0928  6.5734  2.9648  8.493768       5.053763 
1 1 1 -31 13  12 o 33.923  3.7357  178.996   33.380    178.996   33.380    0.0000    0.0000    33.923  3.7357  ?       ?       ?              ?        
1 1 1 -31 13  13 o 16.736  2.9038  38.981    12.774    75.212    23.141    23.100    15.320    21.449  4.1781  12.022  4.0338  9.427072       5.807550 
1 1 1 -31 13  14 o 33.355  2.5960  173.971   21.381    172.616   36.425    174.683   26.409    32.373  4.3077  34.337  2.8985  -1.964035      5.192098 
1 1 1 -31 13  15 o 8.9290  3.8376  -26.1192  4.8830    4.9588    16.533    -29.0891  5.1110    8.9290  3.8376  ?       ?       ?              ?        
1 1 1 -31 13  16 o 14.070  2.9590  36.983    12.527    20.347    24.432    42.916    14.591    11.713  4.8248  16.427  3.4271  -4.713943      5.918068 
1 1 1 -31 14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  9  o 8.3038  2.3965  6.2433    7.7399    6.3759    14.827    6.1937    9.0745    8.9209  3.7238  7.6866  3.0177  1.234307       4.793015 
1 1 1 -31 14  10 o 10.522  2.3772  3.8243    8.7589    39.126    16.503    -10.0205  10.335    15.487  3.9622  5.5566  2.6277  9.930392       4.754319 
1 1 1 -31 14  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 14  12 o 9.6256  2.7687  10.377    10.431    8.9384    19.977    10.917    12.231    10.032  4.2623  9.2196  3.5350  0.8120089      5.537421 
1 1 1 -31 14  13 o 22.723  2.8265  78.159    15.793    106.188   28.043    65.140    19.112    25.219  4.3061  20.227  3.6625  4.992168       5.653002 
1 1 1 -31 14  14 o 16.132  3.1690  45.487    13.379    46.560    25.533    45.080    15.709    15.541  5.2076  16.723  3.6127  -1.181733      6.338046 
1 1 1 -31 14  15 o 14.309  3.2546  33.198    12.879    49.757    25.112    27.289    15.002    15.938  5.1565  12.680  3.9723  3.258693       6.509127 
1 1 1 -31 15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 15  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 15  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 15  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 15  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 15  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 15  8  o 13.292  2.6807  29.356    9.7902    24.651    17.768    31.407    11.732    12.311  4.3363  14.273  3.1528  -1.962504      5.361310 
1 1 1 -31 15  9  o 10.059  2.4303  14.257    9.7332    -12.5780  18.103    25.169    11.544    7.4766  3.5180  12.641  3.3539  -5.164822      4.860576 
1 1 1 -31 15  10 o 15.479  5.9868  49.119    35.303    49.119    35.303    0.0000    0.0000    15.479  5.9868  ?       ?       ?              ?        
1 1 1 -31 15  11 o 10.634  2.9330  13.707    11.045    24.715    20.904    9.4435    13.010    12.259  4.6401  9.0078  3.5887  3.251657       5.865921 
1 1 1 -31 15  12 o 18.936  3.1135  59.185    14.694    71.708    26.097    53.372    17.781    19.796  4.9381  18.075  3.7936  1.721119       6.227071 
1 1 1 -31 15  13 o 10.335  2.8294  15.669    11.630    -1.4467   23.140    21.453    13.452    9.2302  4.2128  11.440  3.7782  -2.210255      5.658895 
1 1 1 -31 15  14 o 7.7638  2.5199  -1.7959   10.080    -5.0937   21.939    -0.9135   11.348    8.6548  4.0051  6.8728  3.0591  1.782039       5.039762 
1 1 1 -31 16  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 16  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 16  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 16  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 16  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 16  6  o 27.017  3.7128  131.636   25.211    136.361   40.827    128.724   32.053    26.435  5.9140  27.599  4.4903  -1.164532      7.425538 
1 1 1 -31 16  7  o 19.368  2.4686  53.355    11.851    84.785    20.644    37.908    14.473    23.365  3.3983  15.372  3.5815  7.992940       4.937206 
1 1 1 -31 16  8  o 13.736  2.8397  33.443    11.281    22.909    20.720    37.881    13.450    11.956  4.5969  15.516  3.3354  -3.560355      5.679465 
1 1 1 -31 16  9  o 11.059  4.8893  10.643    28.513    10.643    28.513    0.0000    0.0000    11.059  4.8893  ?       ?       ?              ?        
1 1 1 -31 16  10 f 9.2689  2.7428  8.7942    11.042    0.7710    21.109    11.817    12.956    9.1486  4.1145  9.3892  3.6281  -0.2405262     5.485637 
1 1 1 -31 16  11 o 13.515  3.2342  28.806    12.897    47.480    24.284    21.469    15.221    15.623  5.0723  11.406  4.0140  4.216665       6.468429 
1 1 1 -31 16  12 o 14.772  2.7393  44.331    14.070    -0.8987   26.271    62.520    16.660    9.6105  4.4243  19.933  3.2311  -10.32205      5.478603 
1 1 1 -31 17  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 17  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 17  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 17  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 17  5  o 22.491  2.3893  74.465    13.469    99.086    23.037    61.679    16.602    25.032  3.5343  19.951  3.2160  5.080606       4.778535 
1 1 1 -31 17  6  o 15.894  3.0905  41.389    12.787    54.442    23.114    35.632    15.350    17.191  4.8234  14.597  3.8652  2.594136       6.181009 
1 1 1 -31 17  7  o 26.535  2.9060  106.313   20.316    0.0000    0.0000    106.313   20.316    ?       ?       26.535  2.9060  ?              ?        
1 1 1 -31 17  8  o 8.7533  2.6289  6.2591    9.5433    8.5805    19.215    5.4990    10.995    9.6682  4.1457  7.8384  3.2337  1.829779       5.257710 
1 1 1 -31 17  9  o 19.185  3.1881  67.886    15.505    60.709    27.455    71.247    18.788    17.247  5.3691  21.123  3.4391  -3.876507      6.376148 
1 1 1 -31 17  10 o 12.038  3.1871  20.647    12.763    41.843    24.403    12.667    14.973    14.432  5.0820  9.6431  3.8474  4.789379       6.374164 
1 1 1 -31 17  11 o 9.8471  2.8620  13.168    12.056    -0.5489   24.517    17.542    13.845    9.2844  4.2741  10.410  3.8073  -1.125541      5.723945 
1 1 1 -31 18  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 18  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 18  3  o 11.938  3.3530  23.039    15.320    28.303    26.634    20.436    18.729    12.598  5.0944  11.278  4.3610  1.320560       6.706045 
1 1 1 -31 18  4  f 11.470  2.8523  22.329    10.776    16.042    20.355    24.778    12.702    10.715  4.4076  12.225  3.6216  -1.510405      5.704673 
1 1 1 -31 18  5  o 7.6408  2.4549  -4.4585   9.1780    8.6995    18.957    -8.4870   10.489    9.5937  4.1159  5.6878  2.6768  3.905849       4.909732 
1 1 1 -31 18  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -31 18  7  o 13.435  3.1105  33.647    12.685    28.593    24.533    35.491    14.820    12.435  4.9362  14.436  3.7859  -2.001762      6.220910 
1 1 1 -31 18  8  o 16.495  3.3425  47.794    14.517    66.913    26.748    39.811    17.284    18.092  5.2265  14.898  4.1679  3.193659       6.684910 
1 1 1 -31 18  9  o 22.682  3.2674  98.874    17.907    85.100    31.609    105.384   21.730    19.635  5.6842  25.729  3.2240  -6.093599      6.534828 
1 1 1 -31 19  1  o 13.468  3.3175  35.866    15.667    21.793    25.777    44.111    19.729    11.564  4.8736  15.373  4.5025  -3.808944      6.635056 
1 1 1 -31 19  2  o 15.025  2.9835  36.442    11.842    56.009    21.501    27.922    14.188    17.347  4.5653  12.703  3.8423  4.643960       5.967015 
1 1 1 -31 19  3  o 15.254  3.0277  44.431    12.849    35.843    23.885    47.929    15.243    13.382  4.9817  17.125  3.4424  -3.742805      6.055350 
1 1 1 -31 19  4  o 7.6688  3.4091  0.7549    14.049    0.0000    0.0000    0.7549    14.049    ?       ?       7.6688  3.4091  ?              ?        
1 1 1 -31 19  5  o 8.8520  2.4260  10.638    8.5116    14.936    11.025    4.2967    13.392    9.7066  3.4161  7.9975  3.4456  1.709140       4.852045 
1 1 1 -31 19  6  o 17.650  2.5859  53.395    11.783    60.328    16.017    45.217    17.396    19.406  3.1925  15.893  4.0689  3.513158       5.171866 
1 1 1 -31 19  7  o 11.875  2.6028  25.200    9.5629    30.735    12.459    17.262    14.919    13.502  3.4364  10.249  3.9101  3.253185       5.205552 
1 1 1 -31 20  1  o 7.0528  2.0277  3.6720    5.6530    0.9698    6.7923    9.7619    10.197    5.7211  2.4593  8.3845  3.2246  -2.663450      4.055368 
1 1 1 -31 20  2  o 11.154  3.7476  21.702    13.223    0.0000    0.0000    21.702    13.223    ?       ?       11.154  3.7476  ?              ?        
1 1 1 -31 20  3  o 11.048  2.5194  17.886    9.3159    5.7782    12.087    35.605    14.622    7.8993  3.3336  14.198  3.7785  -6.298251      5.038831 
1 1 1 -31 20  4  o 5.5638  1.8669  -11.1371  7.8875    -2.6035   9.6808    -27.9875  13.604    6.0409  2.7447  5.0867  2.5315  0.9542251      3.733865 
1 1 1 -31 21  1  o 8.6547  2.4315  10.895    8.4344    12.505    10.879    8.4688    13.355    8.9101  3.3531  8.3993  3.5222  0.5108519      4.863001 
1 1 1 -30 -12 8  o 21.229  2.8820  71.707    15.596    60.281    23.391    80.851    20.926    19.231  4.6025  23.227  3.4699  -3.995604      5.763967 
1 1 1 -30 -12 9  o 9.2853  2.6063  3.0259    9.8739    20.726    16.934    -6.0915   12.154    11.901  4.2289  6.6692  3.0475  5.232328       5.212559 
1 1 1 -30 -12 10 o 17.619  2.9716  51.545    14.173    34.339    21.755    64.232    18.681    14.566  4.8044  20.673  3.4985  -6.106401      5.943267 
1 1 1 -30 -12 11 o 11.608  2.9743  18.023    11.587    24.771    19.163    14.134    14.548    12.797  4.5038  10.419  3.8861  2.378116       5.948569 
1 1 1 -30 -12 12 o 18.950  2.9960  56.115    14.694    61.713    22.643    52.042    19.314    19.662  4.4084  18.238  4.0583  1.424053       5.991983 
1 1 1 -30 -12 13 o 25.752  2.6797  100.272   17.845    104.348   26.741    97.001    23.959    26.105  3.9478  25.400  3.6245  0.7047119      5.359322 
1 1 1 -30 -12 14 o 21.554  2.9281  71.140    16.187    88.505    24.757    58.174    21.392    23.961  3.9984  19.148  4.2788  4.813078       5.856227 
1 1 1 -30 -11 3  o 29.256  2.5061  129.196   19.078    120.049   27.863    137.268   26.175    28.027  3.8105  30.484  3.2561  -2.457558      5.012137 
1 1 1 -30 -11 4  o 27.064  2.5035  109.242   17.582    126.197   25.701    94.327    24.105    29.198  3.3467  24.930  3.7241  4.268967       5.006966 
1 1 1 -30 -11 5  o 10.889  2.9150  13.941    11.588    22.402    18.440    8.4183    14.897    12.330  4.4095  9.4485  3.8138  2.881925       5.829984 
1 1 1 -30 -11 6  o 14.954  2.9632  36.225    12.843    24.212    19.586    45.286    17.010    12.752  4.5462  17.156  3.8018  -4.403455      5.926345 
1 1 1 -30 -11 7  o 16.080  2.9535  42.160    13.472    25.938    20.304    54.918    18.006    13.118  4.6338  19.041  3.6635  -5.922956      5.907079 
1 1 1 -30 -11 8  o 21.693  2.6675  70.421    14.859    79.728    22.462    63.180    19.814    22.972  3.7824  20.413  3.7624  2.558197       5.335001 
1 1 1 -30 -11 9  o 7.7704  2.3275  1.6459    8.6272    -9.3226   15.008    7.0596    10.543    7.1943  3.3234  8.3466  3.2596  -1.152267      4.655094 
1 1 1 -30 -11 10 o 12.116  2.8891  21.880    11.373    14.727    18.019    26.616    14.662    11.044  4.2757  13.188  3.8868  -2.143501      5.778274 
1 1 1 -30 -11 11 o 25.559  2.6058  97.323    17.223    100.071   25.881    95.138    23.074    25.754  3.8717  25.364  3.4888  0.3900661      5.211662 
1 1 1 -30 -11 12 o 16.309  3.0249  41.050    13.231    47.644    20.673    36.476    17.219    17.325  4.4358  15.293  4.1137  2.032642       6.049719 
1 1 1 -30 -11 13 o 11.136  2.9132  16.039    11.211    19.009    18.421    14.292    14.130    11.814  4.3795  10.457  3.8429  1.356894       5.826437 
1 1 1 -30 -11 14 o 30.203  2.6077  137.753   20.192    116.499   29.599    156.253   27.616    27.591  4.1323  32.814  3.1820  -5.222973      5.215445 
1 1 1 -30 -11 15 o 10.463  2.9464  11.014    12.276    16.035    19.080    7.4672    16.036    11.371  4.4004  9.5552  3.9193  1.815989       5.892736 
1 1 1 -30 -11 16 o 21.894  2.9496  74.144    16.643    80.204    24.364    68.843    22.789    22.765  4.1485  21.023  4.1940  1.742031       5.899120 
1 1 1 -30 -11 17 o 12.409  2.9945  21.383    13.300    4.1896    19.637    35.954    18.077    9.7638  4.1889  15.054  4.2804  -5.289727      5.989084 
1 1 1 -30 -11 18 o 8.2383  2.6070  -3.2248   11.769    -8.0473   18.584    0.0038    15.206    8.1990  3.7548  8.2776  3.6178  -0.7867908E-01 5.214086 
1 1 1 -30 -10 1  o 19.921  2.9476  61.740    15.519    94.448    23.360    35.902    20.762    25.026  3.5876  14.816  4.6778  10.20955       5.895117 
1 1 1 -30 -10 2  o 5.3032  2.6125  -25.8422  13.177    -25.8422  13.177    0.0000    0.0000    5.3032  2.6125  ?       ?       ?              ?        
1 1 1 -30 -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 11 o 11.437  4.2680  17.007    17.553    17.007    17.553    0.0000    0.0000    11.437  4.2680  ?       ?       ?              ?        
1 1 1 -30 -10 12 o 16.149  2.9655  38.824    12.963    52.987    20.355    29.162    16.813    18.506  4.2024  13.791  4.1852  4.714933       5.930975 
1 1 1 -30 -10 13 o 22.067  2.7723  72.900    15.518    101.778   23.148    49.330    20.913    26.411  3.3473  17.723  4.4203  8.687923       5.544696 
1 1 1 -30 -10 14 f 25.193  2.6718  94.708    17.419    95.837    25.689    93.748    23.699    25.233  3.9288  25.154  3.6220  0.7895851E-01  5.343627 
1 1 1 -30 -10 15 o 22.307  2.8616  75.476    16.436    82.293    24.190    69.630    22.401    23.272  4.0266  21.342  4.0671  1.929094       5.723176 
1 1 1 -30 -10 16 o 10.667  2.8579  8.3364    12.388    27.604    18.670    -6.8156   16.557    13.449  4.4515  7.8850  3.5852  5.563697       5.715731 
1 1 1 -30 -10 17 o 9.9834  2.8591  6.4370    12.170    18.215    18.668    -2.2673   16.049    11.713  4.3955  8.2535  3.6575  3.459816       5.718248 
1 1 1 -30 -10 18 o 8.7415  2.6235  -2.2448   11.982    -21.8613  18.025    13.285    16.038    6.9668  3.3430  10.516  4.0441  -3.549412      5.246947 
1 1 1 -30 -10 19 o 22.022  3.1299  78.320    17.784    56.586    25.597    98.599    24.725    18.439  5.0391  25.604  3.7137  -7.164557      6.259716 
1 1 1 -30 -10 20 o 12.998  3.3072  25.453    14.758    22.165    21.609    28.327    20.204    12.515  4.7223  13.482  4.6313  -0.9668550     6.614343 
1 1 1 -30 -9  1  o 23.060  2.7624  84.348    15.784    53.449    22.771    112.927   21.899    18.158  4.6589  27.961  2.9695  -9.803007      5.524774 
1 1 1 -30 -9  2  o 6.6714  2.1257  -4.6692   7.5353    0.0752    13.058    -7.0380   9.2266    7.7733  3.3756  5.5695  2.5844  2.203707       4.251302 
1 1 1 -30 -9  3  o 12.170  2.9529  21.383    11.503    24.132    17.754    19.394    15.102    12.726  4.3421  11.614  4.0033  1.112300       5.905890 
1 1 1 -30 -9  4  o 11.774  2.7254  19.688    11.160    2.9910    17.520    31.088    14.476    9.2650  3.9653  14.283  3.7399  -5.017892      5.450727 
1 1 1 -30 -9  5  o 11.281  2.7572  15.884    10.271    26.944    16.359    8.6896    13.195    13.307  4.1448  9.2554  3.6372  4.051296       5.514423 
1 1 1 -30 -9  6  o 35.305  2.2190  178.527   20.719    194.761   30.219    164.125   28.463    36.860  3.0893  33.749  3.1863  3.110649       4.438076 
1 1 1 -30 -9  7  o 20.190  2.5995  60.638    13.466    62.841    20.267    58.897    18.019    20.431  3.8445  19.949  3.4999  0.4821186      5.198987 
1 1 1 -30 -9  8  o 16.754  2.8509  41.915    12.870    58.692    19.443    28.831    17.169    19.758  3.8121  13.751  4.2402  6.007154       5.701817 
1 1 1 -30 -9  9  o 18.683  2.7942  54.385    13.521    41.798    20.136    64.721    18.247    16.340  4.4710  21.026  3.3527  -4.685482      5.588428 
1 1 1 -30 -9  10 o 13.091  2.9023  24.643    11.295    32.970    17.672    18.892    14.686    14.633  4.2543  11.548  3.9490  3.085135       5.804602 
1 1 1 -30 -9  11 o 14.806  2.7650  31.262    11.550    49.622    17.985    18.376    15.067    18.138  3.8225  11.474  3.9961  6.663696       5.529965 
1 1 1 -30 -9  12 o 27.301  2.5052  110.156   17.633    99.524    26.081    119.108   23.932    25.828  3.8908  28.775  3.1569  -2.946404      5.010434 
1 1 1 -30 -9  13 o 17.386  4.2527  46.767    19.640    0.0000    0.0000    46.767    19.640    ?       ?       17.386  4.2527  ?              ?        
1 1 1 -30 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -9  15 o 25.144  4.0771  92.673    22.761    82.281    25.468    133.912   50.735    23.185  4.2580  27.104  6.9541  -3.919434      8.154162 
1 1 1 -30 -9  16 o 24.599  2.7768  90.599    17.585    104.407   25.599    78.261    24.198    26.542  3.7015  22.656  4.1402  3.886343       5.553612 
1 1 1 -30 -9  17 o 15.312  3.1838  37.259    14.470    25.256    21.457    47.270    19.597    13.191  4.7524  17.433  4.2380  -4.241943      6.367598 
1 1 1 -30 -9  18 o 18.533  3.2442  54.796    16.119    47.035    22.911    62.401    22.681    17.079  4.8058  19.988  4.3593  -2.909239      6.488373 
1 1 1 -30 -9  19 o 8.2690  2.5986  -9.2713   12.390    -25.5242  17.211    8.2114    17.850    6.5141  3.1602  10.024  4.1260  -3.509823      5.197148 
1 1 1 -30 -9  20 o 16.840  3.0660  44.413    15.751    16.050    22.101    73.688    22.454    11.735  4.6767  21.945  3.9660  -10.21028      6.131909 
1 1 1 -30 -9  21 o 24.729  3.0514  95.637    19.436    105.137   27.806    86.562    27.179    26.112  4.1117  23.345  4.5097  2.766615       6.102726 
1 1 1 -30 -9  22 o 15.440  3.4855  39.565    16.267    39.937    23.119    39.200    22.892    15.502  4.9406  15.378  4.9179  0.1234188      6.971052 
1 1 1 -30 -8  1  o 12.826  2.8049  23.427    10.963    35.608    16.703    14.208    14.531    15.149  4.0417  10.502  3.8904  4.646452       5.609899 
1 1 1 -30 -8  2  o 8.1191  2.2917  3.4957    8.4052    -10.4491  13.572    12.172    10.705    6.6784  3.1108  9.5597  3.3660  -2.881393      4.583366 
1 1 1 -30 -8  3  o 10.606  2.7330  14.255    9.9596    18.106    15.582    11.595    12.950    11.430  4.0571  9.7815  3.6628  1.648511       5.465922 
1 1 1 -30 -8  4  o 10.957  2.7006  15.079    9.8162    23.997    15.439    9.0286    12.718    12.673  4.0373  9.2399  3.5878  3.433424       5.401147 
1 1 1 -30 -8  5  o 15.903  2.8097  38.015    11.920    45.960    18.072    31.897    15.860    17.357  3.9731  14.450  3.9738  2.906173       5.619323 
1 1 1 -30 -8  6  o 10.997  2.6783  15.363    9.6434    24.064    15.136    9.4180    12.512    12.704  3.9917  9.2904  3.5721  3.413575       5.356643 
1 1 1 -30 -8  7  o 13.255  2.6011  26.936    10.484    11.441    15.878    38.914    13.960    10.273  4.0034  16.237  3.3219  -5.963857      5.202177 
1 1 1 -30 -8  8  o 14.593  2.8072  32.601    11.253    30.054    17.086    34.553    14.954    14.044  4.2095  15.142  3.7150  -1.097833      5.614385 
1 1 1 -30 -8  9  o 21.440  2.4817  67.428    13.722    69.403    20.264    65.756    18.648    21.678  3.6175  21.202  3.3984  0.4754696      4.963387 
1 1 1 -30 -8  10 o 24.438  2.3814  86.221    15.114    96.506    22.402    77.629    20.476    25.813  3.3167  23.063  3.4182  2.750433       4.762846 
1 1 1 -30 -8  11 o 29.475  2.3309  124.621   17.888    148.676   26.276    103.843   24.420    32.269  3.0774  26.680  3.5018  5.588659       4.661843 
1 1 1 -30 -8  12 o 21.496  2.5846  68.431    14.297    67.455    21.051    69.267    19.478    21.249  3.8400  21.743  3.4605  -0.4940586     5.169231 
1 1 1 -30 -8  13 o 24.461  2.5610  88.513    16.134    81.817    23.665    94.329    22.055    23.401  3.9138  25.522  3.3040  -2.121035      5.121909 
1 1 1 -30 -8  14 o 21.121  2.7453  67.792    14.814    57.332    21.736    76.865    20.243    19.290  4.3149  22.952  3.3953  -3.661869      5.490574 
1 1 1 -30 -8  15 o 5.1820  1.7677  -14.6719  7.2557    -28.5975  13.094    -8.5018   8.7162    5.1499  2.5493  5.2142  2.4495  -0.6436634E-01 3.535393 
1 1 1 -30 -8  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -8  17 o 27.396  4.2535  123.033   25.355    120.266   28.358    134.065   56.616    28.458  3.8165  26.334  7.6028  2.124573       8.506948 
1 1 1 -30 -8  18 f 17.216  3.1314  45.991    15.275    66.662    22.177    27.330    21.071    20.887  4.1103  13.545  4.7253  7.341634       6.262845 
1 1 1 -30 -8  19 o 20.266  3.1507  64.408    16.637    62.264    23.761    66.470    23.301    19.857  4.5632  20.676  4.3456  -0.8186913     6.301335 
1 1 1 -30 -8  20 o 15.763  3.4142  39.439    15.929    31.579    21.798    48.446    23.334    14.242  4.8115  17.284  4.8453  -3.041175      6.828448 
1 1 1 -30 -8  21 o 16.742  2.8709  47.543    12.649    30.143    22.503    55.582    15.295    13.957  4.8823  19.527  3.0218  -5.570449      5.741842 
1 1 1 -30 -8  22 o 20.461  2.8296  64.862    13.985    63.774    24.843    65.367    16.921    19.787  4.7481  21.136  3.0794  -1.349113      5.659257 
1 1 1 -30 -8  23 o 8.6642  2.6281  0.8245    9.8893    10.634    18.818    -2.9184   11.624    10.425  4.2572  6.9037  3.0827  3.520876       5.256171 
1 1 1 -30 -7  1  o 15.039  2.6936  33.364    11.212    49.019    16.934    21.144    14.961    18.071  3.6247  12.008  3.9854  6.062187       5.387195 
1 1 1 -30 -7  2  o 16.866  2.6527  43.673    11.652    37.494    17.474    48.619    15.635    15.577  4.1234  18.154  3.3384  -2.577234      5.305468 
1 1 1 -30 -7  3  o 10.504  2.6495  13.503    9.3936    20.739    14.861    8.6888    12.122    11.947  3.9724  9.0608  3.5071  2.885942       5.299065 
1 1 1 -30 -7  4  o 9.1409  2.2272  9.7413    7.6447    -3.4007   12.082    18.515    9.8722    7.0531  3.1467  11.229  3.1529  -4.175601      4.454459 
1 1 1 -30 -7  5  o 29.041  2.1950  121.255   16.728    116.772   24.497    125.172   22.897    28.424  3.2778  29.658  2.9202  -1.234196      4.389925 
1 1 1 -30 -7  6  o 17.819  2.5428  46.789    11.686    54.537    17.465    40.509    15.725    19.204  3.5252  16.434  3.6655  2.770016       5.085605 
1 1 1 -30 -7  7  o 22.371  2.3668  73.540    13.581    66.300    20.034    79.695    18.473    21.150  3.6694  23.592  2.9905  -2.441854      4.733673 
1 1 1 -30 -7  8  o 20.089  2.4499  58.803    12.619    71.514    18.695    48.164    17.103    22.217  3.2367  17.962  3.6786  4.254448       4.899845 
1 1 1 -30 -7  9  o 5.9487  1.9320  -6.2177   6.7397    -4.3247   11.126    -7.3150   8.4709    6.6336  2.9849  5.2638  2.4538  1.369823       3.864018 
1 1 1 -30 -7  10 o 16.709  2.6752  42.427    11.702    36.835    17.242    47.202    15.934    15.529  4.0890  17.889  3.4506  -2.360126      5.350357 
1 1 1 -30 -7  11 o 24.706  2.4259  89.527    15.443    81.042    22.667    96.877    21.096    23.409  3.7412  26.004  3.0893  -2.595154      4.851860 
1 1 1 -30 -7  12 o 15.118  2.8075  34.162    11.447    39.654    17.513    30.065    15.126    16.126  4.0579  14.110  3.8810  2.015691       5.614997 
1 1 1 -30 -7  13 o 15.529  2.8218  35.735    11.928    47.470    18.045    26.627    15.896    17.736  3.9042  13.322  4.0753  4.413423       5.643655 
1 1 1 -30 -7  14 o 24.734  2.5491  90.460    16.200    78.695    23.354    101.371   22.490    22.943  3.9424  26.525  3.2324  -3.581982      5.098178 
1 1 1 -30 -7  15 o 32.888  2.3790  156.412   20.610    148.092   29.466    164.381   28.838    31.925  3.5035  33.851  3.2194  -1.925674      4.758065 
1 1 1 -30 -7  16 o 18.644  2.9367  56.271    15.097    26.500    22.191    81.921    20.598    13.543  4.8379  23.744  3.3304  -10.20156      5.873391 
1 1 1 -30 -7  17 o 11.391  2.7559  13.790    13.709    -41.6907  26.627    33.803    15.992    7.8852  3.8488  14.896  3.9454  -7.010797      5.511777 
1 1 1 -30 -7  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -7  19 o 9.6500  2.6750  5.6307    9.3726    20.256    17.959    0.1563    10.988    12.074  4.3480  7.2260  3.1171  4.848099       5.349952 
1 1 1 -30 -7  20 o 12.504  2.2753  25.338    10.605    -19.5474  19.647    43.791    12.597    7.5734  3.5936  17.435  2.7917  -9.861883      4.550579 
1 1 1 -30 -7  21 o 31.747  2.3423  152.105   18.129    128.912   30.293    165.047   22.629    29.224  3.9730  34.271  2.4820  -5.046272      4.684506 
1 1 1 -30 -7  22 o 23.901  2.5439  82.613    15.010    94.361    26.102    76.808    18.348    24.816  4.0679  22.986  3.0559  1.830763       5.087851 
1 1 1 -30 -7  23 o 15.344  2.8837  30.866    11.764    58.936    21.576    18.992    14.033    19.302  4.2849  11.385  3.8604  7.917863       5.767416 
1 1 1 -30 -7  24 o 9.0177  2.6658  5.5562    10.763    -7.9378   20.340    10.804    12.684    8.5729  3.9268  9.4624  3.6065  -0.8895798     5.331654 
1 1 1 -30 -6  1  o 12.579  2.6530  23.529    9.5382    25.525    14.609    22.046    12.593    12.999  3.8916  12.159  3.6069  0.8395882      5.306078 
1 1 1 -30 -6  2  o 40.157  2.0675  228.281   22.010    254.969   32.137    204.704   30.206    42.430  2.8442  37.884  3.0014  4.546082       4.135009 
1 1 1 -30 -6  3  o 12.651  2.5462  24.272    9.3331    16.684    13.965    30.396    12.546    11.006  3.8465  14.297  3.3371  -3.291182      5.092318 
1 1 1 -30 -6  4  o 18.596  2.4392  50.780    11.667    59.640    17.138    43.126    15.928    20.213  3.2778  16.979  3.6133  3.233526       4.878489 
1 1 1 -30 -6  5  o 14.789  2.5703  32.298    10.183    41.281    15.236    25.044    13.691    16.649  3.5263  12.929  3.7404  3.720360       5.140517 
1 1 1 -30 -6  6  o 25.740  2.1787  94.729    14.675    104.773   21.387    85.791    20.174    27.083  2.9984  24.396  3.1617  2.687008       4.357373 
1 1 1 -30 -6  7  o 15.833  2.5775  37.810    10.685    34.771    15.892    40.318    14.435    15.140  3.8962  16.525  3.3753  -1.385669      5.154920 
1 1 1 -30 -6  8  o 8.4941  2.2983  7.1572    7.6197    0.6712    11.776    11.828    9.9937    7.5645  3.2446  9.4236  3.2561  -1.859156      4.596693 
1 1 1 -30 -6  9  o 9.7934  2.2692  8.0800    8.0537    25.829    12.542    -4.3753   10.506    13.169  3.4969  6.4178  2.8930  6.751211       4.538422 
1 1 1 -30 -6  10 o 42.805  2.1893  261.611   24.820    242.587   35.720    279.370   34.513    41.146  3.2680  44.464  2.9140  -3.317490      4.378553 
1 1 1 -30 -6  11 o 33.459  2.2053  159.417   19.501    172.333   28.338    147.799   26.877    34.781  3.0735  32.137  3.1633  2.644138       4.410540 
1 1 1 -30 -6  12 o 22.188  2.4505  71.851    14.057    73.967    20.670    70.032    19.173    22.449  3.5561  21.927  3.3725  0.5219860      4.900992 
1 1 1 -30 -6  13 o 16.646  2.7783  41.783    12.149    44.123    18.060    39.849    16.420    17.038  4.0221  16.254  3.8339  0.7839661      5.556595 
1 1 1 -30 -6  14 o 48.444  2.2841  335.324   29.461    333.525   42.020    337.065   41.318    48.280  3.2687  48.609  3.1912  -0.3291206     4.568145 
1 1 1 -30 -6  15 o 40.186  2.0079  225.229   20.867    238.863   34.102    217.070   26.382    40.931  3.1344  39.442  2.5103  1.489037       4.015750 
1 1 1 -30 -6  16 o 14.339  2.6992  28.012    9.9343    40.961    18.203    22.519    11.856    16.348  4.1498  12.329  3.4528  4.019248       5.398346 
1 1 1 -30 -6  17 o 18.780  2.6263  51.071    11.993    57.219    21.465    48.281    14.461    19.305  4.2650  18.256  3.0659  1.048311       5.252624 
1 1 1 -30 -6  18 o 15.718  2.7977  35.632    11.229    44.834    19.709    31.209    13.664    17.007  4.3186  14.430  3.5578  2.576875       5.595442 
1 1 1 -30 -6  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -6  20 o 6.5281  2.0827  -5.0782   7.8982    -23.3783  15.245    1.6363    9.2342    6.1237  2.9716  6.9324  2.9191  -0.8087425     4.165453 
1 1 1 -30 -6  21 o 12.323  2.9707  19.586    11.158    31.753    20.028    14.111    13.435    14.285  4.6033  10.361  3.7564  3.923855       5.941495 
1 1 1 -30 -6  22 o 9.4442  2.6710  5.9797    9.5013    16.878    17.730    1.5889    11.254    11.377  4.2809  7.5113  3.1954  3.865787       5.341962 
1 1 1 -30 -6  23 o 21.161  2.7300  64.279    14.210    82.596    25.075    55.615    17.246    23.051  4.2167  19.271  3.4687  3.779497       5.460029 
1 1 1 -30 -6  24 o 32.315  2.3971  158.444   18.843    140.777   32.069    167.760   23.287    30.239  4.0621  34.390  2.5461  -4.151772      4.794145 
1 1 1 -30 -6  25 o 15.392  3.0770  39.605    12.929    32.732    23.818    42.476    15.394    14.158  5.0170  16.626  3.5639  -2.468038      6.153984 
1 1 1 -30 -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -5  4  o 21.879  3.6191  70.776    20.467    0.0000    0.0000    70.776    20.467    ?       ?       21.879  3.6191  ?              ?        
1 1 1 -30 -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -5  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -5  7  o 31.320  4.3103  147.958   35.201    147.958   35.201    0.0000    0.0000    31.320  4.3103  ?       ?       ?              ?        
1 1 1 -30 -5  8  o 24.757  2.1783  87.576    14.005    102.373   20.404    74.392    19.259    26.851  2.8821  22.662  3.2671  4.188976       4.356620 
1 1 1 -30 -5  9  o 18.976  2.3733  52.489    11.602    57.474    16.978    48.123    15.890    19.858  3.3084  18.093  3.4037  1.764769       4.746652 
1 1 1 -30 -5  10 o 22.414  2.3444  73.407    13.526    66.422    19.715    79.619    18.592    21.236  3.5943  23.591  3.0109  -2.355696      4.688821 
1 1 1 -30 -5  11 o 15.363  2.7566  35.724    11.364    34.681    16.083    36.763    16.060    15.128  3.9326  15.598  3.8639  -0.4701042     5.513188 
1 1 1 -30 -5  12 o 18.094  2.3923  50.265    10.333    41.666    18.148    54.390    12.570    16.517  4.1169  19.672  2.4378  -3.155134      4.784504 
1 1 1 -30 -5  13 o 19.845  2.2203  54.364    10.881    65.751    19.062    48.860    13.253    21.182  3.4807  18.509  2.7575  2.673294       4.440664 
1 1 1 -30 -5  14 o 31.605  1.9893  135.771   16.149    162.958   27.174    120.928   20.079    33.844  3.0297  29.366  2.5788  4.478035       3.978648 
1 1 1 -30 -5  15 o 38.100  2.0253  203.086   19.879    213.026   32.629    197.218   25.069    38.607  3.1838  37.593  2.5041  1.014164       4.050527 
1 1 1 -30 -5  16 o 6.2892  2.0115  -3.8433   6.9760    -13.9939  13.377    -0.0516   8.1758    6.3097  2.9856  6.2686  2.6965  0.4102993E-01  4.023056 
1 1 1 -30 -5  17 o 14.116  2.4703  34.084    10.487    6.2904    18.312    47.649    12.793    9.9413  4.1430  18.291  2.6918  -8.349254      4.940696 
1 1 1 -30 -5  18 o 10.449  2.7020  13.891    9.3905    12.512    17.119    14.484    11.231    10.663  4.1565  10.235  3.4537  0.4280519      5.404078 
1 1 1 -30 -5  19 o 6.1798  2.0598  -10.4146  7.6207    -6.5824   14.636    -11.8399  8.9260    7.4267  3.3745  4.9330  2.3632  2.493675       4.119688 
1 1 1 -30 -5  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -5  21 o 13.219  2.9519  25.508    11.052    29.358    19.974    23.809    13.268    13.852  4.6052  12.586  3.6941  1.265751       5.903790 
1 1 1 -30 -5  22 o 23.068  2.5364  76.731    14.387    86.990    25.124    71.725    17.550    23.876  4.0748  22.260  3.0215  1.616367       5.072845 
1 1 1 -30 -5  23 o 12.284  2.9554  18.913    11.036    33.975    20.155    12.463    13.189    14.622  4.6081  9.9452  3.7019  4.676776       5.910883 
1 1 1 -30 -5  24 o 12.135  2.9943  15.580    11.572    38.755    21.667    6.3311    13.688    15.404  4.7654  8.8652  3.6268  6.538683       5.988578 
1 1 1 -30 -5  25 o 26.018  2.6050  101.177   16.648    107.419   28.799    98.044    20.402    26.117  4.2640  25.920  2.9938  0.1976528      5.210013 
1 1 1 -30 -4  1  o 31.829  1.9640  143.027   16.539    156.080   24.138    131.477   22.706    33.226  2.7366  30.431  2.8177  2.795259       3.927956 
1 1 1 -30 -4  2  o 26.392  2.0101  99.031    13.964    100.522   20.360    97.706    19.189    26.545  2.9114  26.240  2.7722  0.3043079      4.020101 
1 1 1 -30 -4  3  o 43.913  2.0493  273.331   23.930    265.278   34.450    280.839   33.266    43.205  2.9954  44.622  2.7975  -1.416725      4.098571 
1 1 1 -30 -4  4  o 36.235  2.0417  185.935   19.637    186.632   28.321    185.290   27.253    36.264  2.9410  36.206  2.8328  0.5822754E-01  4.083435 
1 1 1 -30 -4  5  o 14.078  2.3378  29.904    8.7992    21.614    12.827    37.274    12.093    12.102  3.6519  16.054  2.9199  -3.952173      4.675693 
1 1 1 -30 -4  6  o 8.3898  2.0728  6.5345    6.3689    16.238    9.5314    -1.2930   8.5605    10.590  3.1373  6.1901  2.7097  4.399395       4.145505 
1 1 1 -30 -4  7  o 10.998  2.3931  17.242    7.9639    22.698    11.246    11.754    11.279    12.395  3.3206  9.6013  3.4470  2.793489       4.786268 
1 1 1 -30 -4  8  o 12.765  2.1552  26.748    7.4576    12.299    12.894    34.012    9.1418    9.9758  3.6702  15.554  2.2604  -5.578659      4.310443 
1 1 1 -30 -4  9  o 11.545  2.2217  18.434    6.7157    23.323    11.842    16.115    8.1537    12.552  3.4263  10.538  2.8292  2.013378       4.443411 
1 1 1 -30 -4  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -4  11 o 15.584  2.3199  36.273    8.8308    33.577    15.666    37.528    10.691    14.907  3.8844  16.261  2.5374  -1.354555      4.639724 
1 1 1 -30 -4  12 o 13.434  2.3297  29.624    8.5601    14.170    14.890    37.254    10.462    10.651  3.9395  16.217  2.4880  -5.565817      4.659402 
1 1 1 -30 -4  13 o 28.410  2.1943  120.138   15.180    99.639    25.218    131.787   19.011    26.022  3.7243  30.798  2.3216  -4.775700      4.388632 
1 1 1 -30 -4  14 o 39.760  2.0948  228.636   21.139    205.055   34.231    243.173   26.876    37.696  3.4277  41.825  2.4093  -4.128231      4.189689 
1 1 1 -30 -4  15 o 15.477  2.4363  30.621    9.5877    55.436    17.191    19.418    11.551    19.434  3.4278  11.521  3.4630  7.913256       4.872600 
1 1 1 -30 -4  16 o 21.090  2.3392  62.477    12.282    73.036    21.014    56.998    15.137    22.240  3.6547  19.939  2.9208  2.300360       4.678459 
1 1 1 -30 -4  17 o 24.958  2.2799  91.263    14.044    84.902    23.403    94.843    17.558    23.932  3.7760  25.983  2.5559  -2.050470      4.559718 
1 1 1 -30 -4  18 o 21.509  2.4628  67.124    13.018    70.384    22.336    65.448    16.020    21.613  4.0058  21.405  2.8661  0.2078686      4.925570 
1 1 1 -30 -4  19 o 12.297  2.5930  23.719    9.5037    11.960    17.069    29.002    11.441    10.553  4.1402  14.041  3.1229  -3.487318      5.185910 
1 1 1 -30 -4  20 o 13.594  2.8592  28.409    10.936    24.731    19.123    30.196    13.332    13.001  4.5035  14.187  3.5242  -1.186052      5.718483 
1 1 1 -30 -4  21 o 27.625  5.3489  124.176   38.148    124.176   38.148    0.0000    0.0000    27.625  5.3489  ?       ?       ?              ?        
1 1 1 -30 -4  22 o 21.545  2.8321  76.545    14.343    55.124    25.203    86.807    17.443    18.376  4.9912  24.715  2.6778  -6.339081      5.664112 
1 1 1 -30 -4  23 o 10.753  2.6861  15.948    10.628    -4.2375   20.076    23.809    12.528    8.9572  4.0218  12.549  3.5617  -3.591502      5.372200 
1 1 1 -30 -4  24 o 18.672  2.9228  56.301    13.523    48.953    23.874    59.773    16.409    17.183  4.9301  20.162  3.1408  -2.978647      5.845595 
1 1 1 -30 -4  25 o 26.270  2.5077  100.000   16.196    115.084   28.703    92.955    19.617    27.265  4.0537  25.275  2.9534  1.990246       5.015441 
1 1 1 -30 -3  1  o 12.428  2.4335  23.890    8.0069    18.118    15.524    25.981    9.3458    11.455  4.0513  13.400  2.6973  -1.944289      4.867085 
1 1 1 -30 -3  2  o 50.749  3.3378  418.763   40.518    294.759   64.131    501.148   52.272    42.441  5.7927  59.057  3.3180  -16.61541      6.675633 
1 1 1 -30 -3  3  o 27.303  2.8528  115.954   18.774    95.500    30.988    127.817   23.599    24.658  4.8647  29.949  2.9815  -5.291491      5.705631 
1 1 1 -30 -3  4  o 30.801  3.3632  164.660   23.376    91.309    38.150    208.754   29.579    23.189  6.0709  38.413  2.8961  -15.22412      6.726326 
1 1 1 -30 -3  5  o 21.126  2.1931  63.950    11.999    59.991    16.173    68.797    17.896    20.414  3.0515  21.838  3.1507  -1.424026      4.386146 
1 1 1 -30 -3  6  o 16.706  1.8293  37.818    7.6908    47.648    12.921    32.424    9.5709    18.291  2.7201  15.121  2.4468  3.170706       3.658628 
1 1 1 -30 -3  7  o 35.756  1.8506  179.430   17.056    176.864   27.549    181.026   21.719    35.349  2.9363  36.164  2.2534  -0.8148994     3.701288 
1 1 1 -30 -3  8  o 40.990  1.8270  230.804   19.563    253.885   31.451    216.239   24.984    42.510  2.7774  39.471  2.3743  3.039333       3.653948 
1 1 1 -30 -3  9  o 22.603  2.0572  76.048    11.245    61.939    18.584    84.199    14.125    20.554  3.5011  24.653  2.1609  -4.099161      4.114320 
1 1 1 -30 -3  10 o 8.1980  1.9223  5.3798    5.0446    17.264    9.2585    0.3619    6.0160    10.893  3.0514  5.5029  2.3386  5.390248       3.844505 
1 1 1 -30 -3  11 o 8.5184  2.1113  7.7795    5.6410    14.240    10.272    4.9900    6.7498    10.096  3.3000  6.9404  2.6343  3.155986       4.222517 
1 1 1 -30 -3  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -3  13 o 41.225  2.0212  240.615   21.433    235.272   34.752    243.895   27.228    40.573  3.2244  41.877  2.4380  -1.304020      4.042369 
1 1 1 -30 -3  14 o 14.418  2.2699  25.325    8.4171    51.288    15.312    14.083    10.076    18.807  3.1513  10.029  3.2678  8.777213       4.539745 
1 1 1 -30 -3  15 o 16.131  2.4783  44.666    10.416    19.463    17.842    57.694    12.829    11.987  4.3315  20.274  2.4095  -8.287370      4.956542 
1 1 1 -30 -3  16 o 7.1186  2.1237  -2.0757   6.4976    9.0400    12.318    -6.3612   7.6483    9.1939  3.5418  5.0433  2.3445  4.150575       4.247500 
1 1 1 -30 -3  17 o 7.8750  2.3211  3.3630    7.6386    2.6505    13.822    3.6763    9.1654    8.4192  3.5596  7.3308  2.9799  1.088399       4.642231 
1 1 1 -30 -3  18 o 34.871  2.0626  172.479   18.367    172.537   30.232    172.445   23.124    34.603  3.3019  35.138  2.4727  -0.5351944     4.125153 
1 1 1 -30 -3  19 o 11.639  2.7235  17.238    9.3141    27.279    16.967    12.907    11.143    13.444  4.2266  9.8340  3.4360  3.609750       5.447048 
1 1 1 -30 -3  20 o 10.472  2.5214  15.072    9.4061    -1.1248   16.575    22.765    11.424    8.5693  3.7604  12.375  3.3600  -3.805546      5.042802 
1 1 1 -30 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -3  22 o 10.528  2.8231  11.812    10.101    20.081    18.936    8.5233    11.942    12.090  4.4479  8.9653  3.4779  3.124543       5.646189 
1 1 1 -30 -3  23 o 11.516  2.8943  18.979    11.025    12.078    20.380    21.834    13.109    10.972  4.4495  12.060  3.7027  -1.087409      5.788573 
1 1 1 -30 -3  24 o 13.354  2.9862  28.455    11.849    20.541    21.858    31.748    14.100    12.321  4.7252  14.387  3.6525  -2.065648      5.972300 
1 1 1 -30 -3  25 o 9.5991  2.6820  9.4789    10.740    -9.9536   20.924    16.430    12.514    8.5306  3.9349  10.668  3.6454  -2.136914      5.364010 
1 1 1 -30 -3  26 o 22.804  2.8231  70.591    15.592    120.009   28.972    50.443    18.499    27.746  4.0152  17.863  3.9695  9.883463       5.646143 
1 1 1 -30 -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  9  o 31.639  1.9404  145.700   15.363    122.215   24.825    160.277   19.558    29.199  3.2282  34.079  2.1538  -4.880182      3.880733 
1 1 1 -30 -2  10 o 45.177  1.8749  280.580   22.156    309.346   35.557    262.320   28.329    46.902  2.8438  43.451  2.4440  3.450855       3.749720 
1 1 1 -30 -2  11 o 10.439  2.1816  15.475    6.2210    15.831    11.135    15.313    7.5007    10.588  3.4346  10.290  2.6909  0.2977476      4.363162 
1 1 1 -30 -2  12 o 15.295  2.1653  32.174    8.2097    40.946    14.278    27.842    10.034    16.709  3.3074  13.881  2.7955  2.827461       4.330554 
1 1 1 -30 -2  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -2  14 o 5.8453  1.8240  -1.3716   5.4116    -9.2895   10.439    1.5383    6.3284    5.7880  2.7068  5.9027  2.4457  -0.1146259     3.648018 
1 1 1 -30 -2  15 o 24.487  2.1810  86.069    13.313    85.635    22.312    86.308    16.590    24.181  3.5507  24.793  2.5337  -0.6121025     4.362013 
1 1 1 -30 -2  16 o 18.577  2.4615  52.408    11.167    45.829    18.906    55.934    13.840    17.302  4.1357  19.851  2.6707  -2.548851      4.923059 
1 1 1 -30 -2  17 o 29.998  2.1374  131.722   15.985    116.188   26.195    140.938   20.177    28.198  3.5468  31.799  2.3864  -3.600580      4.274841 
1 1 1 -30 -2  18 o 17.829  2.6247  50.756    11.602    37.339    19.668    57.917    14.368    15.489  4.4838  20.169  2.7299  -4.679600      5.249449 
1 1 1 -30 -2  19 o 9.6576  2.5216  10.924    9.3322    -3.9321   16.627    17.757    11.276    8.2580  3.6872  11.057  3.4406  -2.799373      5.043146 
1 1 1 -30 -2  20 o 13.465  2.8735  26.364    10.614    30.854    19.129    24.367    12.758    14.173  4.4916  12.757  3.5850  1.415825       5.746933 
1 1 1 -30 -2  21 o 29.379  2.2860  123.753   16.880    128.760   28.502    121.048   20.949    29.515  3.6856  29.242  2.7053  0.2732525      4.571927 
1 1 1 -30 -2  22 o 13.444  4.7512  26.954    21.348    26.954    21.348    0.0000    0.0000    13.444  4.7512  ?       ?       ?              ?        
1 1 1 -30 -2  23 o 20.385  2.8850  66.778    14.192    55.942    25.012    71.922    17.234    18.467  4.9541  22.303  2.9580  -3.835365      5.769944 
1 1 1 -30 -2  24 o 10.671  2.5356  14.631    10.979    -21.4028  20.865    28.430    12.912    7.6788  3.6606  13.663  3.5095  -5.984688      5.071187 
1 1 1 -30 -2  25 o 10.572  2.9383  11.920    10.979    18.531    21.454    9.5736    12.780    11.899  4.6489  9.2445  3.5946  2.654402       5.876558 
1 1 1 -30 -2  26 o 12.681  3.1808  22.543    12.528    33.289    23.422    18.237    14.827    14.192  4.9802  11.170  3.9583  3.021991       6.361634 
1 1 1 -30 -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  10 o 9.5379  2.2901  12.068    7.4221    4.2034    11.763    17.270    9.5673    8.1708  3.3547  10.905  3.1186  -2.734180      4.580295 
1 1 1 -30 -1  11 o 10.038  1.8119  16.087    5.9565    -2.1167   10.331    25.151    7.2901    6.6912  2.9514  13.385  2.1027  -6.693819      3.623837 
1 1 1 -30 -1  12 o 13.175  2.2017  25.009    7.3140    26.660    12.722    24.195    8.9388    13.391  3.5059  12.959  2.6643  0.4317818      4.403394 
1 1 1 -30 -1  13 o 26.292  2.0923  100.931   13.613    89.242    22.462    107.717   17.115    24.750  3.4848  27.834  2.3167  -3.084198      4.184583 
1 1 1 -30 -1  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  15 o 17.562  2.2893  45.258    9.9268    44.225    16.695    45.824    12.346    17.174  3.7357  17.950  2.6473  -0.7764530     4.578645 
1 1 1 -30 -1  16 o 11.119  2.5378  17.648    8.3422    17.058    14.399    17.946    10.235    11.153  3.9053  11.085  3.2419  0.6865597E-01  5.075552 
1 1 1 -30 -1  17 o 11.230  2.5444  18.321    8.4268    15.803    14.904    19.504    10.217    10.944  3.9581  11.515  3.1983  -0.5710258     5.088801 
1 1 1 -30 -1  18 o 12.795  2.6754  24.597    9.5235    22.715    16.666    25.510    11.605    12.484  4.2071  13.105  3.3063  -0.6209173     5.350851 
1 1 1 -30 -1  19 o 23.186  2.3513  70.101    13.295    119.880   23.085    45.398    16.262    28.944  3.0223  17.428  3.6028  11.51582       4.702552 
1 1 1 -30 -1  20 f 14.113  2.7465  32.410    10.932    19.007    19.516    38.539    13.197    12.020  4.4975  16.206  3.1538  -4.186299      5.493053 
1 1 1 -30 -1  21 o 13.910  2.8916  30.279    11.225    24.916    20.245    32.659    13.489    13.065  4.6257  14.756  3.4709  -1.691246      5.783147 
1 1 1 -30 -1  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 -1  23 o 13.462  2.8769  29.576    11.644    15.295    21.353    35.619    13.891    11.552  4.5991  15.372  3.4574  -3.819853      5.753775 
1 1 1 -30 -1  24 o 17.119  2.9379  36.943    13.345    80.429    24.700    19.017    15.859    22.709  4.2160  11.529  4.0928  11.18053       5.875876 
1 1 1 -30 -1  25 o 11.688  2.8594  20.012    12.691    -9.2206   23.980    31.385    14.957    9.2076  4.2344  14.168  3.8437  -4.960657      5.718810 
1 1 1 -30 -1  26 o 18.210  3.2703  53.525    14.840    59.204    28.115    51.332    17.472    18.236  5.3844  18.183  3.7130  0.5301476E-01  6.540527 
1 1 1 -30 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   11 o 9.8749  2.3648  13.400    7.6707    6.8644    12.692    17.161    9.6282    8.8769  3.5420  10.873  3.1342  -1.996178      4.729581 
1 1 1 -30 0   12 o 27.317  1.9944  107.333   13.646    98.800    22.492    112.303   17.167    26.186  3.2787  28.449  2.2718  -2.262953      3.988865 
1 1 1 -30 0   13 o 27.427  2.0738  110.272   14.093    94.465    23.022    119.746   17.823    25.484  3.4623  29.370  2.2837  -3.885424      4.147646 
1 1 1 -30 0   14 o 34.947  1.9109  169.503   17.398    182.584   27.855    161.137   22.277    35.906  2.9216  33.988  2.4638  1.917877       3.821770 
1 1 1 -30 0   15 o 11.527  2.4197  19.154    10.104    -8.2213   17.291    33.349    12.451    7.9856  3.6436  15.068  3.1848  -7.082268      4.839324 
1 1 1 -30 0   16 o 28.998  2.0555  119.302   15.223    120.452   24.838    118.610   19.265    28.893  3.2670  29.103  2.4956  -0.2099266     4.111086 
1 1 1 -30 0   17 o 17.683  2.5175  46.265    11.030    47.232    18.782    45.756    13.627    17.573  4.0703  17.793  2.9636  -0.2201138     5.034916 
1 1 1 -30 0   18 o 10.649  2.4681  15.055    7.5920    19.594    13.947    13.143    9.0504    11.645  3.8471  9.6535  3.0928  1.991662       4.936109 
1 1 1 -30 0   19 o 14.836  2.6921  29.131    10.485    50.031    18.652    19.476    12.677    18.131  3.9522  11.541  3.6565  6.590124       5.384236 
1 1 1 -30 0   20 o 17.126  2.8290  40.894    12.225    60.343    21.617    31.750    14.822    19.797  4.2063  14.454  3.7841  5.343397       5.657986 
1 1 1 -30 0   21 o 11.688  2.2284  -0.5251   9.2068    51.152    17.804    -19.3898  10.757    18.413  3.7376  4.9632  2.4276  13.44972       4.456775 
1 1 1 -30 0   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 0   23 o 20.166  3.0262  60.622    14.819    72.544    27.091    55.532    17.702    21.111  4.8874  19.220  3.5700  1.891323       6.052388 
1 1 1 -30 0   24 o 6.7613  2.2596  -12.7803  8.5209    -1.8833   17.972    -15.9403  9.6778    8.6998  3.8621  4.8227  2.3465  3.877079       4.519112 
1 1 1 -30 0   25 o 8.4914  2.6677  -0.4374   10.659    0.2784    21.418    -0.6731   12.289    9.5823  4.2369  7.4005  3.2429  2.181778       5.335486 
1 1 1 -30 0   26 o 7.4400  2.4433  -7.3920   10.328    -8.7228   20.094    -6.9142   12.040    8.3829  3.8630  6.4970  2.9926  1.885836       4.886502 
1 1 1 -30 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   12 o 21.056  1.8417  59.803    9.8892    74.979    16.499    51.294    12.355    23.024  2.7284  19.089  2.4746  3.935198       3.683460 
1 1 1 -30 1   13 o 19.473  2.1837  56.655    10.270    48.509    17.278    61.105    12.772    18.035  3.7007  20.911  2.3194  -2.875208      4.367465 
1 1 1 -30 1   14 o 15.640  2.3401  39.883    9.3038    22.757    15.377    49.773    11.685    12.455  4.0357  18.825  2.3700  -6.370317      4.680120 
1 1 1 -30 1   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   16 f 13.253  2.3548  28.745    8.9288    11.654    14.977    38.168    11.121    10.159  3.9077  16.348  2.6288  -6.189755      4.709649 
1 1 1 -30 1   17 o 8.1474  2.2479  6.1258    6.7001    8.5559    11.835    4.9796    8.1280    8.9810  3.4684  7.3138  2.8604  1.667180       4.495742 
1 1 1 -30 1   18 o 11.228  2.4443  16.806    7.5216    23.610    13.955    14.020    8.9299    12.563  3.8130  9.8928  3.0592  2.670260       4.888517 
1 1 1 -30 1   19 o 10.602  2.4995  9.2136    8.5452    30.933    15.843    0.3032    10.148    14.216  3.9951  6.9877  3.0050  7.228278       4.999043 
1 1 1 -30 1   20 o 18.746  2.7705  59.296    12.789    36.811    22.317    70.291    15.606    15.252  4.8535  22.239  2.6734  -6.986559      5.541059 
1 1 1 -30 1   21 o 19.703  2.7726  58.017    13.412    62.245    23.387    55.945    16.372    19.882  4.4969  19.524  3.2445  0.3573856      5.545156 
1 1 1 -30 1   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 1   23 o 19.844  3.1035  68.137    15.426    45.657    27.414    78.553    18.661    16.466  5.3914  23.223  3.0757  -6.757500      6.206978 
1 1 1 -30 1   24 o 16.554  2.9290  50.363    14.335    14.815    26.017    65.859    17.178    11.946  4.9550  21.161  3.1247  -9.215310      5.857984 
1 1 1 -30 1   25 o 14.073  2.9095  34.222    13.719    3.3931    24.458    48.373    16.571    10.397  4.5651  17.749  3.6085  -7.351970      5.819048 
1 1 1 -30 1   26 o 24.213  2.8559  82.478    16.940    131.799   30.454    60.382    20.384    28.962  4.0355  19.464  4.0421  9.497524       5.711744 
1 1 1 -30 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   13 o 16.629  2.1353  41.425    8.7206    35.211    14.417    45.011    10.951    15.355  3.5724  17.902  2.3400  -2.546172      4.270554 
1 1 1 -30 2   14 o 14.707  2.2654  31.289    8.3527    33.675    14.180    30.022    10.336    14.998  3.5795  14.417  2.7775  0.5817480      4.530708 
1 1 1 -30 2   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   16 o 13.366  2.4936  24.165    8.8215    37.418    15.275    17.533    10.806    15.757  3.6850  10.974  3.3604  4.782977       4.987135 
1 1 1 -30 2   17 o 21.210  2.5335  69.522    12.871    57.589    21.864    75.851    15.922    19.264  4.3413  23.155  2.6129  -3.891031      5.067004 
1 1 1 -30 2   18 o 13.809  2.6975  27.908    9.8209    32.346    17.319    25.804    11.923    14.476  4.2124  13.143  3.3707  1.332448       5.395038 
1 1 1 -30 2   19 o 10.026  2.6503  12.044    9.0905    13.419    16.162    11.407    10.995    10.620  4.0654  9.4311  3.4013  1.188891       5.300633 
1 1 1 -30 2   20 o 11.879  2.7012  19.650    9.2136    24.872    16.520    17.292    11.101    12.863  4.1839  10.895  3.4176  1.968343       5.402324 
1 1 1 -30 2   21 o 7.9533  2.3088  0.5472    7.2097    12.893    14.207    -3.7354   8.3672    10.209  3.8338  5.6977  2.5738  4.511047       4.617622 
1 1 1 -30 2   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 2   23 o 13.610  2.6109  12.734    11.786    64.073    21.614    -8.9958   14.061    20.282  4.1192  6.9380  3.2092  13.34358       5.221767 
1 1 1 -30 2   24 o 28.248  2.6327  116.992   18.378    133.141   32.215    109.200   22.376    29.188  4.2450  27.308  3.1150  1.880627       5.265305 
1 1 1 -30 2   25 o 9.0971  2.7425  0.5128    10.444    16.385    20.835    -4.8138   12.069    11.428  4.5451  6.7661  3.0705  4.662018       5.485033 
1 1 1 -30 2   26 o 26.069  2.9170  106.341   18.352    113.289   32.453    103.076   22.251    25.915  4.8537  26.222  3.2367  -0.3064976     5.833939 
1 1 1 -30 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   13 o 25.400  1.8819  90.235    12.312    94.742    19.821    87.403    15.710    25.787  2.9212  25.014  2.3733  0.7733059      3.763729 
1 1 1 -30 3   14 o 19.174  2.0283  51.536    9.7950    57.709    16.258    48.019    12.272    19.945  3.1477  18.404  2.5588  1.540670       4.056535 
1 1 1 -30 3   15 o 8.4127  2.9603  9.0965    8.2786    0.0000    0.0000    9.0965    8.2786    ?       ?       8.4127  2.9603  ?              ?        
1 1 1 -30 3   16 o 16.312  2.4838  45.074    10.307    23.430    17.728    56.127    12.669    12.664  4.3388  19.961  2.4189  -7.296876      4.967552 
1 1 1 -30 3   17 o 17.229  2.6537  47.329    11.362    36.866    19.786    52.476    13.878    15.328  4.5146  19.130  2.7906  -3.802210      5.307445 
1 1 1 -30 3   18 o 28.926  2.2287  121.440   16.106    118.277   27.003    123.186   20.066    28.280  3.6501  29.573  2.5585  -1.293032      4.457497 
1 1 1 -30 3   19 o 33.867  2.1355  159.193   18.583    186.082   31.110    144.277   23.171    35.837  3.2774  31.897  2.7387  3.939833       4.271058 
1 1 1 -30 3   20 o 14.655  2.5819  37.428    11.595    6.0626    20.252    52.723    14.142    10.186  4.3078  19.124  2.8476  -8.938084      5.163898 
1 1 1 -30 3   21 o 32.386  2.3759  151.478   19.349    159.752   32.879    147.095   23.933    32.658  3.8315  32.114  2.8106  0.5444412      4.751858 
1 1 1 -30 3   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 3   23 o 12.997  3.0822  25.768    12.051    24.961    22.310    26.100    14.319    12.995  4.8191  12.999  3.8440  -0.4412651E-02 6.164422 
1 1 1 -30 3   24 o 10.727  2.9312  14.479    11.118    12.584    21.687    15.154    12.949    11.058  4.5493  10.397  3.6975  0.6609879      5.862413 
1 1 1 -30 3   25 o 10.741  2.8949  15.387    12.106    -3.2106   23.485    22.117    14.127    9.5321  4.3084  11.949  3.8678  -2.416871      5.789860 
1 1 1 -30 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   13 o 36.365  1.8662  186.530   17.601    181.887   27.895    189.602   22.688    35.786  2.9361  36.944  2.3042  -1.158203      3.732315 
1 1 1 -30 4   14 o 21.551  1.9992  66.234    10.806    66.679    17.889    65.979    13.559    21.415  3.2183  21.688  2.3729  -0.2724972     3.998486 
1 1 1 -30 4   15 o 8.3282  2.8392  9.2241    7.5908    0.0000    0.0000    9.2241    7.5908    ?       ?       8.3282  2.8392  ?              ?        
1 1 1 -30 4   16 o 12.825  2.5893  23.569    8.8787    28.752    15.689    21.127    10.769    13.720  4.0141  11.930  3.2719  1.789131       5.178662 
1 1 1 -30 4   17 o 6.6285  1.9744  1.6671    5.0933    2.9975    10.838    1.2899    5.7703    7.6540  3.1883  5.6030  2.3296  2.050989       3.948719 
1 1 1 -30 4   18 o 21.646  2.3889  66.817    12.745    76.189    22.185    62.200    15.572    22.500  3.8177  20.792  2.8728  1.707878       4.777812 
1 1 1 -30 4   19 o 30.855  2.4354  144.664   18.184    122.333   30.562    156.902   22.625    28.336  4.1498  33.374  2.5503  -5.038631      4.870799 
1 1 1 -30 4   20 o 7.5744  2.1983  -0.7185   8.6272    -29.1275  15.948    11.034    10.258    5.9440  2.9174  9.2049  3.2891  -3.260809      4.396511 
1 1 1 -30 4   21 o 44.698  2.2021  281.023   25.528    322.287   42.020    256.883   32.139    46.973  3.3620  42.422  2.8450  4.551239       4.404174 
1 1 1 -30 4   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 4   23 o 25.336  2.9721  102.113   18.017    94.392    31.240    105.961   22.055    23.784  5.0594  26.887  3.1204  -3.102739      5.944263 
1 1 1 -30 4   24 o 10.670  2.8718  3.8266    11.354    35.203    21.834    -7.8042   13.293    14.552  4.8138  6.7885  3.1331  7.763202       5.743546 
1 1 1 -30 4   25 o 11.692  3.1004  16.206    12.192    32.695    22.911    9.6937    14.399    13.949  4.9229  9.4349  3.7701  4.513754       6.200704 
1 1 1 -30 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   13 o 24.009  1.9580  83.420    11.764    76.202    19.176    87.776    14.897    22.915  3.2126  25.102  2.2392  -2.187130      3.915972 
1 1 1 -30 5   14 o 14.269  2.3817  31.084    8.6258    27.342    14.978    32.941    10.551    13.419  3.9210  15.119  2.7048  -1.699527      4.763425 
1 1 1 -30 5   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 5   16 o 11.574  2.5865  18.961    8.4108    21.607    15.560    17.869    9.9973    12.132  4.0653  11.017  3.1989  1.115604       5.172956 
1 1 1 -30 5   17 o 12.905  2.6088  19.278    9.5680    43.851    17.514    8.8251    11.423    16.891  3.9429  8.9195  3.4171  7.971550       5.217580 
1 1 1 -30 5   18 o 13.548  2.7396  27.892    10.007    27.652    17.881    28.001    12.075    13.429  4.3519  13.668  3.3292  -0.2386827     5.479286 
1 1 1 -30 5   19 o 18.522  2.7729  52.810    12.641    51.462    22.123    53.464    15.403    17.932  4.5874  19.112  3.1163  -1.180107      5.545722 
1 1 1 -30 5   20 o 21.548  2.5446  65.312    13.607    85.896    23.648    55.123    16.638    23.824  3.8361  19.273  3.3443  4.551224       5.089169 
1 1 1 -30 5   21 o 27.061  2.4848  98.378    16.544    160.906   28.537    66.726    20.304    33.170  3.2539  20.951  3.7561  12.21897       4.969546 
1 1 1 -30 5   22 o 34.786  3.9600  184.881   36.239    184.881   36.239    0.0000    0.0000    34.786  3.9600  ?       ?       ?              ?        
1 1 1 -30 5   23 o 30.243  2.5948  135.117   19.647    151.007   33.673    126.917   24.191    31.094  4.1464  29.391  3.1206  1.703098       5.189553 
1 1 1 -30 5   24 o 14.440  2.9905  37.155    13.941    9.9647    25.203    49.144    16.735    11.085  4.7504  17.795  3.6340  -6.709648      5.980992 
1 1 1 -30 5   25 o 10.796  3.0679  11.673    12.111    25.178    23.942    7.0292    14.039    12.709  4.9262  8.8829  3.6581  3.826167       6.135843 
1 1 1 -30 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   13 o 23.743  1.8704  75.241    11.329    102.678   18.966    60.019    14.126    26.935  2.6638  20.551  2.6264  6.383776       3.740851 
1 1 1 -30 6   14 o 9.2542  2.1872  11.946    7.0485    -1.3189   12.964    17.513    8.3983    7.5776  3.3254  10.931  2.8420  -3.353361      4.374344 
1 1 1 -30 6   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 6   16 o 10.340  2.1438  3.6296    7.2051    36.243    14.361    -7.3405   8.3292    15.496  3.5379  5.1835  2.4220  10.31216       4.287549 
1 1 1 -30 6   17 o 18.339  2.5240  43.812    11.540    80.917    20.552    26.730    13.945    23.439  3.3706  13.238  3.7579  10.20095       5.048006 
1 1 1 -30 6   18 o 20.275  2.4806  57.893    12.479    74.544    21.606    49.558    15.286    22.230  3.7630  18.321  3.2333  3.908758       4.961256 
1 1 1 -30 6   19 o 20.242  2.5595  55.766    12.836    87.816    22.373    40.041    15.671    24.289  3.5433  16.195  3.6944  8.093542       5.118937 
1 1 1 -30 6   20 o 15.869  2.9759  38.219    12.252    45.178    21.553    34.896    14.893    16.673  4.6504  15.064  3.7144  1.609350       5.951739 
1 1 1 -30 6   21 o 29.558  2.8808  126.042   22.517    0.0000    0.0000    126.042   22.517    ?       ?       29.558  2.8808  ?              ?        
1 1 1 -30 6   22 o 21.999  2.9570  77.376    15.822    72.596    27.277    79.800    19.424    20.788  4.9668  23.210  3.2104  -2.422049      5.914052 
1 1 1 -30 6   23 o 21.158  2.9713  68.588    15.414    81.435    27.219    62.524    18.701    22.127  4.7357  20.188  3.5900  1.939060       5.942621 
1 1 1 -30 6   24 o 15.472  2.7193  44.639    14.464    -4.7716   25.478    68.136    17.569    9.6573  4.4127  21.287  3.1788  -11.62984      5.438502 
1 1 1 -30 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   12 o 24.456  3.4751  88.036    22.123    0.0000    0.0000    88.036    22.123    ?       ?       24.456  3.4751  ?              ?        
1 1 1 -30 7   13 o 27.135  1.9782  103.842   13.589    109.026   22.806    100.987   16.922    27.435  3.1613  26.835  2.3789  0.6006908      3.956364 
1 1 1 -30 7   14 o 11.210  2.2227  19.100    9.1993    -12.7447  16.623    33.158    11.045    7.3272  3.4230  15.093  2.8362  -7.765496      4.445346 
1 1 1 -30 7   15 o 8.3809  2.3321  6.9665    7.2488    5.8516    13.296    7.4381    8.6470    8.7440  3.5756  8.0179  2.9949  0.7261190      4.664115 
1 1 1 -30 7   16 o 21.347  2.3844  64.034    12.663    79.993    21.887    56.003    15.526    23.107  3.6582  19.588  3.0593  3.518885       4.768848 
1 1 1 -30 7   17 o 8.7740  2.3773  2.5924    7.6710    19.876    14.588    -4.0130   9.0185    11.652  3.9361  5.8962  2.6670  5.755723       4.754571 
1 1 1 -30 7   18 o 9.5383  2.3237  11.766    8.5115    -9.8056   15.956    20.345    10.063    7.3974  3.4206  11.679  3.1462  -4.281680      4.647434 
1 1 1 -30 7   19 o 18.236  2.8753  48.831    13.121    63.456    22.839    41.625    16.031    20.000  4.3843  16.472  3.7213  3.528084       5.750628 
1 1 1 -30 7   20 o 11.737  2.9278  16.114    10.847    32.492    20.102    9.3864    12.884    14.233  4.6145  9.2407  3.6048  4.992381       5.855567 
1 1 1 -30 7   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 7   22 o 18.231  3.1038  52.911    14.290    58.547    25.051    50.193    17.399    18.501  4.9556  17.961  3.7383  0.5406342      6.207530 
1 1 1 -30 7   23 o 31.547  2.5142  146.797   20.062    170.864   34.184    134.152   24.778    33.039  3.9406  30.055  3.1235  2.984135       5.028383 
1 1 1 -30 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   12 o 12.294  2.1379  18.726    11.396    -42.9506  19.940    48.647    13.888    6.2759  3.1136  18.312  2.9304  -12.03566      4.275704 
1 1 1 -30 8   13 o 28.309  2.0651  111.271   14.847    129.143   25.306    101.889   18.334    29.796  3.2221  26.822  2.5839  2.973969       4.130182 
1 1 1 -30 8   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 8   15 o 21.147  2.5016  65.093    13.020    72.808    22.531    61.225    15.954    21.775  4.0108  20.519  2.9908  1.256474       5.003158 
1 1 1 -30 8   16 o 12.052  2.6434  18.163    9.0187    33.858    16.629    11.623    10.734    14.711  4.0785  9.3943  3.3638  5.316370       5.286715 
1 1 1 -30 8   17 o 8.8376  2.3090  8.8024    8.1223    -8.5019   15.125    15.815    9.6284    7.2931  3.3573  10.382  3.1709  -3.088906      4.618066 
1 1 1 -30 8   18 o 8.7718  2.5385  6.1962    8.7602    6.6924    16.464    6.0002    10.346    9.4867  3.9389  8.0568  3.2033  1.429931       5.077023 
1 1 1 -30 8   19 o 10.163  2.6836  13.539    9.9128    3.0899    18.559    17.709    11.725    9.3861  4.0501  10.939  3.5219  -1.553252      5.367210 
1 1 1 -30 8   20 o 15.592  3.0185  38.741    12.487    39.793    21.850    38.231    15.216    15.472  4.7854  15.711  3.6803  -0.2388811     6.036936 
1 1 1 -30 8   21 o 19.360  3.0251  56.571    14.566    74.342    25.676    48.139    17.687    21.225  4.6454  17.496  3.8762  3.729477       6.050187 
1 1 1 -30 8   22 o 25.015  2.7239  92.865    16.926    115.562   29.386    81.596    20.706    26.871  4.2220  23.158  3.4429  3.713158       5.447813 
1 1 1 -30 8   23 o 32.873  2.6505  168.736   21.678    166.610   36.297    169.915   27.028    31.909  4.3610  33.837  3.0138  -1.927599      5.301015 
1 1 1 -30 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   12 o 25.879  2.1579  97.045    13.935    96.788    23.432    97.186    17.333    25.536  3.5193  26.221  2.4981  -0.6847057     4.315803 
1 1 1 -30 9   13 o 32.983  2.1417  154.364   18.066    167.607   30.093    146.901   22.591    33.799  3.3690  32.168  2.6453  1.630714       4.283434 
1 1 1 -30 9   14 o 8.2022  2.3423  5.2746    7.3176    8.0153    13.660    4.1714    8.6661    9.1648  3.6685  7.2395  2.9135  1.925347       4.684683 
1 1 1 -30 9   15 o 12.583  2.3781  10.951    9.3904    53.319    18.073    -4.7156   10.990    18.686  3.7416  6.4800  2.9364  12.20575       4.756274 
1 1 1 -30 9   16 o 19.956  2.6955  62.082    12.985    57.179    22.752    64.450    15.813    18.822  4.5609  21.090  2.8741  -2.267624      5.390934 
1 1 1 -30 9   17 o 20.229  2.6639  60.668    13.247    68.695    23.018    56.692    16.199    20.883  4.2595  19.575  3.2003  1.308407       5.327796 
1 1 1 -30 9   18 o 19.568  2.6719  55.318    12.878    71.322    22.684    47.706    15.644    21.348  4.1163  17.787  3.4075  3.560413       5.343734 
1 1 1 -30 9   19 o 14.126  2.9395  33.004    11.838    24.514    21.295    36.801    14.241    12.766  4.7134  15.486  3.5138  -2.720057      5.879046 
1 1 1 -30 9   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 9   21 o 17.424  3.1851  51.071    14.268    49.034    26.171    51.932    17.019    16.553  5.2546  18.295  3.6013  -1.741789      6.370274 
1 1 1 -30 9   22 o 11.202  2.9980  18.035    11.711    16.734    21.883    18.557    13.864    11.366  4.6102  11.038  3.8339  0.3278275      5.996034 
1 1 1 -30 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  11 o 20.672  3.1115  75.064    16.576    42.260    27.220    94.400    20.897    15.906  5.3766  25.438  3.1332  -9.532162      6.222958 
1 1 1 -30 10  12 o 49.433  2.1417  352.089   27.672    352.917   43.458    351.525   35.889    49.128  3.3221  49.738  2.7040  -0.6099129     4.283490 
1 1 1 -30 10  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 10  14 o 18.998  2.6313  51.351    12.327    68.911    21.771    43.064    14.955    21.101  3.9983  16.896  3.4219  4.205416       5.262687 
1 1 1 -30 10  15 o 7.6028  2.2339  4.3029    6.6225    -2.6868   15.000    5.9952    7.3808    7.8853  3.5129  7.3202  2.7604  0.5650463      4.467712 
1 1 1 -30 10  16 o 22.429  2.5893  74.629    14.207    81.254    24.744    71.371    17.352    22.759  4.2143  22.100  3.0097  0.6585560      5.178657 
1 1 1 -30 10  17 o 14.907  2.8736  37.121    11.775    26.451    21.085    41.957    14.195    13.110  4.7124  16.703  3.2901  -3.592087      5.747251 
1 1 1 -30 10  18 o 17.524  3.0243  47.892    13.341    54.464    23.776    44.872    16.117    17.994  4.8314  17.054  3.6392  0.9398193      6.048625 
1 1 1 -30 10  19 o 9.7969  3.5577  13.068    12.059    0.0000    0.0000    13.068    12.059    ?       ?       9.7969  3.5577  ?              ?        
1 1 1 -30 10  20 o 27.484  2.6095  109.977   17.743    138.162   31.610    97.013    21.438    29.513  4.1103  25.454  3.2161  4.058897       5.218982 
1 1 1 -30 10  21 o 9.5111  2.6091  9.5061    10.956    -19.3674  21.460    19.685    12.742    7.7642  3.7044  11.258  3.6751  -3.493944      5.218113 
1 1 1 -30 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 11  10 o 19.117  3.0345  61.977    14.902    43.647    25.010    72.066    18.555    16.134  5.1383  22.101  3.2298  -5.966475      6.069066 
1 1 1 -30 11  11 o 22.371  2.3397  74.727    12.976    71.863    21.409    76.391    16.314    21.669  3.8287  23.073  2.6904  -1.404020      4.679422 
1 1 1 -30 11  12 o 35.765  2.2279  188.804   20.375    176.292   32.519    196.891   26.143    34.342  3.5882  37.189  2.6418  -2.846241      4.455782 
1 1 1 -30 11  13 o 17.661  2.7556  50.022    12.102    43.430    21.133    53.239    14.762    16.274  4.6283  19.048  2.9921  -2.774382      5.511265 
1 1 1 -30 11  14 o 18.905  2.7385  52.790    12.725    63.985    22.519    47.539    15.423    20.035  4.3233  17.775  3.3626  2.259745       5.477054 
1 1 1 -30 11  15 o 10.757  2.7546  12.121    9.3657    27.355    18.374    6.7741    10.886    13.202  4.4177  8.3115  3.2918  4.890822       5.509213 
1 1 1 -30 11  16 o 20.100  2.7859  59.737    13.518    72.532    24.727    54.283    16.144    21.165  4.5003  19.035  3.2852  2.129990       5.571801 
1 1 1 -30 11  17 o 13.561  2.9022  31.466    12.087    13.793    22.812    38.363    14.252    11.305  4.6601  15.816  3.4603  -4.511417      5.804350 
1 1 1 -30 11  18 o 15.216  2.5928  43.563    12.948    -2.3532   23.486    63.613    15.519    9.6037  4.3276  20.828  2.8572  -11.22426      5.185678 
1 1 1 -30 11  19 o 9.6754  4.0409  8.0616    17.473    8.0616    17.473    0.0000    0.0000    9.6754  4.0409  ?       ?       ?              ?        
1 1 1 -30 11  20 o 15.428  3.1393  43.016    13.846    29.512    25.980    48.373    16.363    13.323  5.1406  17.532  3.6049  -4.209146      6.278641 
1 1 1 -30 11  21 o 26.729  2.9554  116.746   18.776    117.848   33.403    116.237   22.703    25.738  5.0256  27.720  3.1114  -1.981928      5.910801 
1 1 1 -30 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  9  o 15.324  2.8396  31.677    11.498    57.066    20.770    20.457    13.807    18.982  4.1966  11.665  3.8266  7.317132       5.679249 
1 1 1 -30 12  10 o 16.475  2.5112  40.598    10.383    44.855    17.526    38.296    12.889    16.919  3.9407  16.032  3.1138  0.8870907      5.022464 
1 1 1 -30 12  11 o 22.095  2.5390  76.589    13.632    63.883    22.360    84.105    17.197    20.012  4.2996  24.178  2.7017  -4.166128      5.077977 
1 1 1 -30 12  12 o 22.510  2.8403  78.860    16.480    85.039    23.581    72.961    23.040    23.489  3.8839  21.531  4.1456  1.958071       5.680700 
1 1 1 -30 12  13 o 14.927  2.8876  33.122    11.076    42.418    20.545    29.313    13.151    16.063  4.5618  13.791  3.5417  2.272661       5.775257 
1 1 1 -30 12  14 o 7.2355  2.1200  1.0069    7.6481    -27.4144  16.236    9.1125    8.6703    6.0775  2.9747  8.3934  3.0213  -2.315941      4.239952 
1 1 1 -30 12  15 o 11.259  2.7418  19.432    10.218    7.4598    19.732    23.819    11.945    10.071  4.2553  12.447  3.4587  -2.375330      5.483606 
1 1 1 -30 12  16 o 17.296  3.0335  43.279    13.121    66.488    24.396    33.833    15.564    20.006  4.6424  14.585  3.9058  5.420154       6.066930 
1 1 1 -30 12  17 o 16.460  3.0592  45.278    13.017    41.783    24.246    46.693    15.430    15.473  5.0705  17.446  3.4242  -1.972555      6.118486 
1 1 1 -30 12  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 12  19 o 11.320  2.8816  20.279    11.592    3.4543    23.427    25.734    13.339    9.9710  4.4188  12.670  3.6998  -2.698693      5.763159 
1 1 1 -30 12  20 o 20.529  3.1729  67.369    15.799    87.373    29.287    59.158    18.763    21.922  5.0862  19.136  3.7947  2.785389       6.345807 
1 1 1 -30 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 13  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 13  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 13  8  o 8.2109  2.3801  2.9487    7.5720    12.464    14.713    -0.4799   8.8314    10.067  3.8729  6.3546  2.7677  3.712525       4.760226 
1 1 1 -30 13  9  f 23.037  2.1997  79.011    12.683    74.956    20.562    81.501    16.113    22.218  3.5765  23.856  2.5618  -1.638130      4.399305 
1 1 1 -30 13  10 o 12.530  2.7104  20.184    9.7883    38.835    17.518    11.717    11.803    15.566  4.1325  9.4945  3.5083  6.070971       5.420884 
1 1 1 -30 13  11 o 20.206  4.3226  65.626    22.687    65.626    22.687    0.0000    0.0000    20.206  4.3226  ?       ?       ?              ?        
1 1 1 -30 13  12 o 34.122  2.3303  170.899   20.333    179.832   33.446    165.661   25.609    34.420  3.6850  33.825  2.8532  0.5951843      4.660509 
1 1 1 -30 13  13 o 13.139  2.9868  24.112    11.045    38.044    20.854    18.681    13.021    15.115  4.6751  11.164  3.7185  3.950947       5.973587 
1 1 1 -30 13  14 o 12.841  2.9803  25.288    11.123    27.765    20.784    24.294    13.168    13.196  4.6854  12.485  3.6846  0.7112875      5.960637 
1 1 1 -30 13  15 o 9.3509  2.7210  8.4100    10.317    1.7641    20.442    10.682    11.951    9.4553  4.1619  9.2466  3.5064  0.2086601      5.442077 
1 1 1 -30 13  16 o 14.140  3.1369  28.970    12.107    46.406    23.418    22.610    14.144    16.282  4.9390  11.998  3.8687  4.284382       6.273808 
1 1 1 -30 13  17 o 11.743  4.7383  18.806    22.986    0.0000    0.0000    18.806    22.986    ?       ?       11.743  4.7383  ?              ?        
1 1 1 -30 13  18 o 13.621  3.2692  25.969    12.797    49.492    25.760    18.260    14.746    16.288  5.2177  10.953  3.9404  5.335731       6.538425 
1 1 1 -30 13  19 o 12.981  3.2363  28.793    13.218    27.062    26.551    29.364    15.241    12.719  5.1064  13.243  3.9772  -0.5238695     6.472512 
1 1 1 -30 14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 14  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 14  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 14  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 14  7  o 6.8354  2.2722  -10.9459  8.7263    -2.0359   17.813    -13.7595  10.010    8.5573  3.8190  5.1135  2.4631  3.443767       4.544396 
1 1 1 -30 14  8  o 7.8318  2.2873  4.6980    7.4891    -1.9719   14.424    7.1596    8.7628    7.7651  3.4530  7.8984  3.0007  -0.1333680     4.574641 
1 1 1 -30 14  9  o 19.971  2.5587  60.346    12.652    64.636    21.398    58.041    15.688    20.162  4.1018  19.779  3.0600  0.3828182      5.117476 
1 1 1 -30 14  10 o 29.517  6.1437  160.735   46.993    160.735   46.993    0.0000    0.0000    29.517  6.1437  ?       ?       ?              ?        
1 1 1 -30 14  11 o 16.825  2.9508  44.359    12.638    50.249    22.122    41.506    15.399    17.298  4.6669  16.352  3.6122  0.9464664      5.901524 
1 1 1 -30 14  12 o 13.269  3.0054  23.968    11.436    42.634    21.185    16.291    13.586    15.902  4.6679  10.636  3.7869  5.265725       6.010843 
1 1 1 -30 14  13 o 11.569  2.8369  21.012    10.933    8.9993    21.052    25.448    12.793    10.385  4.3921  12.753  3.5920  -2.367775      5.673873 
1 1 1 -30 14  14 o 12.532  2.9552  26.204    11.942    11.880    23.494    31.194    13.866    11.013  4.6477  14.050  3.6512  -3.037065      5.910377 
1 1 1 -30 14  15 o 14.050  3.1561  33.237    12.787    30.352    24.589    34.306    14.970    13.478  5.0471  14.622  3.7909  -1.144106      6.312242 
1 1 1 -30 14  16 o 5.1189  2.4125  -8.0994   8.5767    0.0000    0.0000    -8.0994   8.5767    ?       ?       5.1189  2.4125  ?              ?        
1 1 1 -30 14  17 o 15.610  3.4222  41.710    14.526    50.065    28.619    38.811    16.859    15.989  5.5110  15.231  4.0591  0.7572308      6.844479 
1 1 1 -30 14  18 o 16.142  3.4737  44.956    14.913    58.662    29.498    40.250    17.285    16.935  5.5949  15.348  4.1188  1.587332       6.947426 
1 1 1 -30 15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 15  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 15  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 15  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 15  6  o 8.9271  2.0789  10.613    7.1715    -9.5664   13.097    19.254    8.5705    6.5232  3.0444  11.331  2.8318  -4.807763      4.157789 
1 1 1 -30 15  7  o 30.003  2.1444  133.142   16.334    130.190   26.630    134.923   20.682    29.334  3.4556  30.673  2.5402  -1.339521      4.288859 
1 1 1 -30 15  8  o 16.490  2.8253  41.479    11.910    52.396    20.322    35.768    14.698    17.895  4.2946  15.085  3.6722  2.810290       5.650527 
1 1 1 -30 15  9  o 40.699  3.4990  250.363   37.772    250.363   37.772    0.0000    0.0000    40.699  3.4990  ?       ?       ?              ?        
1 1 1 -30 15  10 o 11.135  2.8349  11.019    10.556    35.523    20.039    1.6075    12.419    14.556  4.5956  7.7134  3.3207  6.842756       5.669789 
1 1 1 -30 15  11 o 14.943  3.1032  37.129    12.737    35.764    23.198    37.719    15.239    14.445  4.9627  15.441  3.7273  -0.9953194     6.206473 
1 1 1 -30 15  12 o 13.497  3.1345  30.095    12.622    27.494    23.568    31.140    14.945    13.077  4.9324  13.916  3.8694  -0.8396168     6.269006 
1 1 1 -30 15  13 o 9.7356  2.8104  1.7487    10.206    27.700    21.840    -5.5024   11.545    13.004  4.7778  6.4671  2.9608  6.537090       5.620854 
1 1 1 -30 15  14 o 16.853  3.2642  42.573    13.939    69.210    27.025    32.916    16.271    19.602  5.0988  14.104  4.0769  5.498836       6.528339 
1 1 1 -30 15  15 o 8.9721  3.5295  9.5611    12.438    0.0000    0.0000    9.5611    12.438    ?       ?       8.9721  3.5295  ?              ?        
1 1 1 -30 15  16 o 10.839  3.0101  16.966    11.894    11.266    25.063    18.623    13.512    10.793  4.6818  10.885  3.7847  -0.9147358E-01 6.020205 
1 1 1 -30 16  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 16  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 16  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 16  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 16  5  o 8.9725  2.4036  9.6982    7.3461    11.451    13.844    9.0111    8.6669    9.6396  3.7433  8.3054  3.0161  1.334143       4.807198 
1 1 1 -30 16  6  o 21.991  2.5917  76.260    13.657    71.013    23.699    78.869    16.711    20.745  4.4014  23.236  2.7376  -2.491217      5.183315 
1 1 1 -30 16  7  o 37.819  2.7138  207.342   27.308    0.0000    0.0000    207.342   27.308    ?       ?       37.819  2.7138  ?              ?        
1 1 1 -30 16  8  o 6.4068  2.1290  -15.0116  7.5349    4.0931    15.689    -20.7393  8.5904    8.7878  3.7565  4.0258  2.0049  4.761967       4.258038 
1 1 1 -30 16  9  o 9.9251  2.5699  12.218    10.583    -14.4534  19.821    22.852    12.516    7.7854  3.6687  12.065  3.5998  -4.279531      5.139788 
1 1 1 -30 16  10 o 5.9943  2.0703  -14.6631  8.5129    -23.0925  18.940    -12.5292  9.5297    6.9630  3.3623  5.0257  2.4165  1.937311       4.140596 
1 1 1 -30 16  11 o 11.727  2.9794  21.958    12.341    7.5168    23.523    27.443    14.497    10.429  4.5297  13.024  3.8716  -2.595695      5.958755 
1 1 1 -30 16  12 o 15.311  3.3373  40.702    14.278    41.302    27.242    40.474    16.765    14.923  5.3572  15.698  3.9813  -0.7750092     6.674588 
1 1 1 -30 16  13 o 24.103  3.0957  93.131    17.821    109.126   32.743    86.399    21.244    24.640  5.1280  23.566  3.4694  1.074640       6.191374 
1 1 1 -30 16  14 o 16.481  3.8137  44.516    16.502    0.0000    0.0000    44.516    16.502    ?       ?       16.481  3.8137  ?              ?        
1 1 1 -30 16  15 o 9.9893  2.9043  12.488    11.544    4.8402    24.778    14.609    13.046    10.035  4.4894  9.9440  3.6857  0.9055424E-01  5.808521 
1 1 1 -30 17  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 17  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 17  3  o 18.686  2.4389  51.307    11.421    67.170    19.210    42.634    14.204    20.747  3.5866  16.626  3.3060  4.120958       4.877879 
1 1 1 -30 17  4  o 11.681  2.6300  22.769    9.7402    9.0719    18.637    27.917    11.425    9.9253  4.1614  13.436  3.2172  -3.510571      5.259978 
1 1 1 -30 17  5  o 10.934  2.6179  18.915    10.191    -0.9362   19.519    26.354    11.948    8.8997  3.9829  12.969  3.3986  -4.068854      5.235828 
1 1 1 -30 17  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 17  7  o 12.525  3.0555  25.019    11.786    25.260    22.182    24.924    13.912    12.587  4.7760  12.464  3.8124  0.1229992      6.111070 
1 1 1 -30 17  8  o 10.045  2.9211  8.6195    11.465    20.178    21.911    4.2621    13.453    11.797  4.6707  8.2943  3.5096  3.502347       5.842301 
1 1 1 -30 17  9  o 16.415  3.0581  36.114    13.605    79.758    25.519    18.783    16.081    21.684  4.5393  11.146  4.0991  10.53767       6.116195 
1 1 1 -30 17  10 o 16.170  2.9498  51.569    14.710    14.443    27.450    66.526    17.423    11.487  4.9411  20.853  3.2233  -9.365944      5.899543 
1 1 1 -30 17  11 o 24.466  3.0855  98.700    18.130    105.297   32.304    95.666    21.905    24.070  5.1652  24.862  3.3767  -0.7915115     6.170989 
1 1 1 -30 17  12 f 7.4276  2.4977  -16.1660  10.072    6.6747    22.462    -21.9139  11.268    9.9959  4.3822  4.8593  2.3980  5.136567       4.995375 
1 1 1 -30 17  13 o 10.129  4.3981  9.0155    22.164    0.0000    0.0000    9.0155    22.164    ?       ?       10.129  4.3981  ?              ?        
1 1 1 -30 17  14 o 23.573  3.1705  85.770    18.027    139.182   33.960    64.816    21.271    27.816  4.7273  19.330  4.2262  8.486511       6.340982 
1 1 1 -30 18  1  o 17.188  2.5679  45.878    11.038    51.695    18.707    42.772    13.671    17.702  4.0351  16.673  3.1772  1.029251       5.135767 
1 1 1 -30 18  2  o 20.567  2.8502  75.512    14.166    50.345    24.207    88.620    17.470    16.586  5.0193  24.547  2.7018  -7.960739      5.700307 
1 1 1 -30 18  3  o 12.661  3.1458  26.050    11.665    20.969    29.269    27.009    12.719    12.322  5.1932  13.000  3.5518  -0.6778955     6.291646 
1 1 1 -30 18  4  o 17.137  3.4811  46.154    15.434    0.0000    0.0000    46.154    15.434    ?       ?       17.137  3.4811  ?              ?        
1 1 1 -30 18  5  o 17.653  3.0480  53.397    13.441    54.562    15.894    50.472    25.181    18.820  3.2718  16.487  5.1435  2.332548       6.095907 
1 1 1 -30 18  6  o 22.700  2.2582  78.426    13.307    71.137    18.451    86.328    19.211    21.490  3.3119  23.910  3.0707  -2.420734      4.516423 
1 1 1 -30 18  7  o 19.330  2.4946  59.315    12.319    62.989    16.557    54.760    18.437    20.313  3.1447  18.347  3.8734  1.966101       4.989230 
1 1 1 -30 18  8  o 8.5489  2.3209  2.2109    8.3346    -9.2094   10.589    20.808    13.512    5.6964  2.6834  11.401  3.7877  -5.705018      4.641877 
1 1 1 -30 18  9  f 10.929  2.6795  18.890    9.6074    20.596    12.830    16.711    14.496    11.327  3.6873  10.531  3.8888  0.7958250      5.358955 
1 1 1 -30 18  10 o 9.5165  2.5852  12.141    9.5183    16.451    12.531    6.2632    14.634    10.327  3.6412  8.7059  3.6707  1.621234       5.170343 
1 1 1 -30 18  11 o 9.4942  2.2367  9.7584    8.9421    26.320    11.584    -14.6614  14.066    12.784  3.3446  6.2043  2.9707  6.579862       4.473406 
1 1 1 -30 18  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -30 19  1  o 15.978  2.3547  39.526    9.7355    31.749    13.002    49.451    14.688    14.072  3.4711  17.884  3.1829  -3.812325      4.709487 
1 1 1 -30 19  2  o 6.7919  2.0408  2.0214    6.2947    1.5134    7.9520    2.8738    10.301    6.3268  2.6887  7.2569  3.0709  -0.9300742     4.081565 
1 1 1 -30 19  3  o 4.8247  2.1907  -2.8582   6.1546    -2.8582   6.1546    0.0000    0.0000    4.8247  2.1907  ?       ?       ?              ?        
1 1 1 -30 19  4  o 17.566  2.3521  48.042    10.623    44.748    14.288    52.112    15.885    16.924  3.2702  18.208  3.3816  -1.284531      4.704217 
1 1 1 -30 19  5  o 14.679  2.5896  36.134    10.361    43.478    13.919    27.006    15.518    16.693  3.2297  12.664  4.0489  4.028685       5.179300 
1 1 1 -30 19  6  o 18.473  2.4916  53.871    11.830    43.558    15.955    66.464    17.630    16.303  3.7340  20.642  3.2999  -4.338400      4.983224 
1 1 1 -30 19  7  o 7.5939  2.1245  4.2673    7.3769    12.177    9.0871    -11.0200  12.633    9.0631  3.1064  6.1248  2.8991  2.938285       4.248995 
1 1 1 -30 19  8  o 11.764  2.6227  19.686    9.8356    8.3501    12.584    37.483    15.767    8.6500  3.5004  14.878  3.9066  -6.228393      5.245403 
1 1 1 -30 19  9  o 13.090  2.8079  29.577    10.685    30.289    14.219    28.655    16.194    13.377  3.7937  12.803  4.1407  0.5740185      5.615844 
1 1 1 -30 19  10 o 17.479  2.7489  51.382    12.495    45.798    16.724    58.437    18.797    16.395  3.8705  18.562  3.9044  -2.167707      5.497787 
1 1 1 -30 20  1  o 10.217  2.5521  16.284    10.101    24.612    11.753    -7.2557   19.759    12.305  3.4349  8.1290  3.7755  4.176526       5.104177 
1 1 1 -30 20  2  o 8.7424  2.4285  9.0891    8.6879    14.090    11.230    1.6319    13.712    9.6647  3.4427  7.8200  3.4262  1.844757       4.857009 
1 1 1 -30 20  3  o 10.985  2.7051  17.266    10.198    7.8299    13.329    30.589    15.838    8.6728  3.5671  13.298  4.0678  -4.625055      5.410278 
1 1 1 -30 20  4  o 17.977  2.6517  52.882    12.383    40.312    16.727    68.123    18.418    15.305  4.0262  20.649  3.4520  -5.344626      5.303441 
1 1 1 -30 20  5  o 21.471  2.4314  73.153    13.398    61.128    18.252    87.201    19.728    19.317  3.6616  23.625  3.1999  -4.307459      4.862833 
1 1 1 -30 20  6  o 17.108  2.6871  48.270    12.229    31.714    16.296    69.609    18.501    13.397  4.1308  20.819  3.4376  -7.422441      5.374125 
1 1 1 -30 20  7  o 7.8966  2.2934  -2.1272   8.1340    -12.1194  9.8971    18.668    14.278    5.1098  2.4583  10.683  3.8725  -5.573507      4.586893 
1 1 1 -30 20  8  o 8.6932  2.5290  8.7033    9.2826    9.7569    11.528    6.7603    15.654    8.6348  3.3977  8.7515  3.7470  -0.1166553     5.058051 
1 1 1 -30 21  1  o 7.3728  2.1683  2.2595    8.0010    10.649    9.8254    -14.2537  13.785    8.6418  3.1994  6.1037  2.9274  2.538126       4.336598 
1 1 1 -30 21  2  o 8.4559  2.4688  7.0905    8.8284    4.6827    11.162    11.113    14.428    7.6458  3.2139  9.2659  3.7485  -1.620116      4.937656 
1 1 1 -30 21  3  o 18.311  2.6444  55.731    12.513    45.063    16.807    68.997    18.743    16.114  3.9294  20.508  3.5401  -4.393700      5.288893 
1 1 1 -30 21  4  o 14.589  2.5449  34.102    11.189    12.692    14.814    62.537    17.073    9.5311  3.8185  19.648  3.3652  -10.11666      5.089808 
1 1 1 -30 21  5  o 12.272  3.0335  27.434    12.193    24.670    16.153    31.095    18.590    11.733  4.1344  12.811  4.4402  -1.078297      6.066966 
1 1 1 -30 21  6  o 4.7544  1.6192  -9.8452   5.9086    -4.2257   6.7060    -29.3493  12.493    4.7805  2.2130  4.7282  2.3644  0.5228376E-01  3.238489 
1 1 1 -30 22  1  o 14.501  2.7392  35.969    11.711    19.006    15.473    58.718    17.919    10.544  3.9918  18.459  3.7521  -7.914567      5.478417 
1 1 1 -30 22  2  o 10.771  2.7748  20.495    10.651    24.343    13.746    14.712    16.851    11.681  3.8174  9.8619  4.0281  1.819062       5.549635 
1 1 1 -30 22  3  o 20.731  2.7242  74.834    14.525    71.381    19.642    79.000    21.576    20.328  3.7454  21.135  3.9568  -0.8064327     5.448389 
1 1 1 -29 -14 9  o 12.293  2.9979  21.844    11.667    25.972    19.169    19.416    14.704    13.054  4.5096  11.532  3.9514  1.522303       5.995868 
1 1 1 -29 -14 10 o 21.202  2.9783  68.696    16.254    90.286    24.715    52.242    21.576    24.339  3.9246  18.064  4.4809  6.274929       5.956551 
1 1 1 -29 -14 11 o 11.986  3.0396  20.386    12.161    21.348    19.711    19.794    15.452    12.292  4.5355  11.680  4.0481  0.6122036      6.079282 
1 1 1 -29 -14 12 o 15.840  3.1782  40.652    14.121    35.796    22.212    43.946    18.293    14.919  4.8514  16.761  4.1070  -1.841507      6.356405 
1 1 1 -29 -14 13 o 12.408  2.9256  23.197    12.451    6.8176    20.421    32.890    15.709    10.255  4.3307  14.561  3.9346  -4.305845      5.851122 
1 1 1 -29 -14 14 f 22.451  2.9624  79.094    16.968    71.222    25.505    85.345    22.727    21.069  4.6446  23.833  3.6785  -2.764011      5.924809 
1 1 1 -29 -14 15 f 6.4425  2.1718  -14.5432  9.9117    -24.4403  17.704    -10.0246  11.962    6.6970  3.2381  6.1881  2.8950  0.5089574      4.343517 
1 1 1 -29 -13 3  o 23.244  2.7283  82.428    16.260    98.518    23.733    68.195    22.322    25.627  3.5531  20.860  4.1411  4.767046       5.456506 
1 1 1 -29 -13 4  o 9.6209  2.7742  8.3006    11.086    7.2044    17.904    8.9823    14.119    9.8301  4.0967  9.4116  3.7420  0.4184999      5.548456 
1 1 1 -29 -13 5  o 11.618  2.8260  16.862    10.825    30.570    17.529    8.4125    13.763    13.972  4.2803  9.2637  3.6910  4.708699       5.651946 
1 1 1 -29 -13 6  o 14.088  3.0581  29.709    12.656    39.986    19.730    22.524    16.498    15.852  4.4595  12.324  4.1857  3.527504       6.116148 
1 1 1 -29 -13 7  o 21.195  2.8634  68.179    15.593    76.502    23.501    61.632    20.843    22.349  4.0761  20.041  4.0226  2.307491       5.726779 
1 1 1 -29 -13 8  f 10.651  2.4099  12.502    10.364    -16.6310  16.714    30.705    13.211    7.0279  3.3289  14.275  3.4856  -7.246727      4.819784 
1 1 1 -29 -13 9  o 22.555  2.7227  76.240    15.748    79.863    23.911    73.464    20.929    22.911  4.0443  22.200  3.6464  0.7109737      5.445425 
1 1 1 -29 -13 10 o 25.444  2.6583  97.354    17.335    88.772    25.762    104.454   23.433    24.133  4.1343  26.755  3.3428  -2.622547      5.316639 
1 1 1 -29 -13 11 o 10.844  2.8684  14.919    10.970    13.268    18.450    15.822    13.644    10.928  4.2988  10.761  3.7989  0.1671743      5.736856 
1 1 1 -29 -13 12 f 12.224  2.9510  19.559    11.693    31.757    18.678    11.699    14.994    14.314  4.4240  10.133  3.9066  4.181062       5.901927 
1 1 1 -29 -13 13 o 20.155  2.9642  61.140    15.391    76.185    23.736    50.224    20.217    22.341  4.1183  17.969  4.2646  4.371574       5.928457 
1 1 1 -29 -13 14 o 21.285  2.9806  70.922    16.206    61.372    24.557    78.290    21.570    19.615  4.7293  22.954  3.6291  -3.338823      5.961220 
1 1 1 -29 -13 15 o 11.282  2.9964  13.403    12.509    27.050    19.805    4.3463    16.134    13.404  4.5860  9.1595  3.8577  4.244929       5.992732 
1 1 1 -29 -13 16 o 19.466  3.1535  60.759    16.109    50.687    24.243    68.724    21.557    17.655  4.9350  21.277  3.9273  -3.622616      6.306954 
1 1 1 -29 -13 17 o 11.117  3.0982  12.429    13.588    21.970    21.132    5.7025    17.742    12.576  4.6849  9.6577  4.0553  2.918579       6.196310 
1 1 1 -29 -13 18 o 29.408  2.6663  129.553   20.492    125.812   29.315    133.127   28.657    28.896  3.8861  29.921  3.6515  -1.025379      5.332516 
1 1 1 -29 -13 19 o 23.948  3.1321  90.153    19.322    98.844    27.454    81.621    27.199    25.293  4.1997  22.603  4.6479  2.690069       6.264227 
1 1 1 -29 -12 1  o 10.996  2.9531  14.796    12.060    21.310    18.113    9.6090    16.164    12.118  4.3664  9.8741  3.9772  2.244378       5.906176 
1 1 1 -29 -12 2  o 10.710  2.7900  15.262    10.564    11.606    16.721    17.690    13.630    10.321  4.0821  11.100  3.8044  -0.7787676     5.580023 
1 1 1 -29 -12 3  o 29.791  2.3910  130.009   18.706    139.478   26.787    120.996   26.134    30.930  3.2835  28.652  3.4766  2.278166       4.782072 
1 1 1 -29 -12 4  o 12.460  2.7438  17.642    11.505    42.371    18.166    1.0818    14.866    16.518  4.1198  8.4016  3.6250  8.116415       5.487595 
1 1 1 -29 -12 5  o 9.8276  2.7328  10.129    10.351    9.2539    16.809    10.664    13.136    10.031  4.0503  9.6240  3.6697  0.4071455      5.465542 
1 1 1 -29 -12 6  o 23.986  2.6417  85.199    16.375    93.763    24.120    77.877    22.303    25.144  3.6913  22.827  3.7800  2.316500       5.283344 
1 1 1 -29 -12 7  o 10.161  2.7095  11.545    10.715    -0.2553   17.165    19.078    13.715    8.8133  3.8481  11.509  3.8156  -2.695563      5.419081 
1 1 1 -29 -12 8  o 11.122  2.9428  15.657    11.726    13.636    18.572    16.997    15.121    11.046  4.3227  11.198  3.9943  -0.1523809     5.885551 
1 1 1 -29 -12 9  o 30.851  2.3710  136.783   19.125    160.200   28.248    116.964   25.987    33.396  3.1970  28.307  3.5023  5.088812       4.742016 
1 1 1 -29 -12 10 o 12.872  2.8684  21.453    11.438    38.646    18.438    10.697    14.583    15.821  4.2573  9.9233  3.8451  5.897450       5.736700 
1 1 1 -29 -12 11 f 14.314  2.9004  31.871    12.933    12.639    19.816    46.141    17.069    11.098  4.4266  17.530  3.7489  -6.431635      5.800801 
1 1 1 -29 -12 12 o 14.508  3.0065  30.330    12.623    44.713    19.774    20.437    16.400    16.991  4.3318  12.024  4.1702  4.966652       6.012908 
1 1 1 -29 -12 13 o 37.042  2.3649  199.533   22.936    177.330   33.465    219.202   31.498    34.829  3.6411  39.256  3.0187  -4.426758      4.729741 
1 1 1 -29 -12 14 o 40.869  2.3280  239.723   25.241    250.086   36.738    230.458   34.738    41.686  3.3178  40.051  3.2667  1.635250       4.656066 
1 1 1 -29 -12 15 o 22.065  2.8953  73.140    16.429    83.381    24.458    64.721    22.177    23.533  4.0248  20.596  4.1632  2.937593       5.790618 
1 1 1 -29 -12 16 o 10.729  2.6263  9.8288    11.865    -19.3361  18.419    30.515    15.513    7.3010  3.4688  14.158  3.9442  -6.856607      5.252542 
1 1 1 -29 -12 17 o 15.564  3.0819  38.088    14.201    21.896    20.739    52.380    19.485    12.616  4.6527  18.512  4.0429  -5.896617      6.163873 
1 1 1 -29 -12 18 o 26.919  2.9073  110.225   19.789    140.164   28.496    82.337    27.502    30.944  3.4996  22.895  4.6436  8.049240       5.814671 
1 1 1 -29 -12 19 o 27.192  2.7886  111.228   19.715    113.675   28.122    108.863   27.646    27.500  3.9296  26.883  3.9578  0.6163807      5.577281 
1 1 1 -29 -12 20 o 18.611  3.1371  55.284    16.613    84.899    23.757    26.947    23.239    23.706  3.8754  13.516  4.9341  10.19048       6.274114 
1 1 1 -29 -12 21 o 12.115  3.3014  19.155    15.142    18.774    21.429    19.536    21.399    12.059  4.6642  12.170  4.6735  -0.1117134     6.602758 
1 1 1 -29 -12 22 o 20.245  3.3647  66.879    18.062    55.323    25.304    78.885    25.792    18.205  5.0247  22.285  4.4763  -4.080622      6.729414 
1 1 1 -29 -11 1  o 15.629  3.0367  37.923    13.233    46.756    19.441    30.297    18.064    17.289  4.2322  13.969  4.3561  3.320370       6.073465 
1 1 1 -29 -11 2  o 24.567  2.5563  89.472    16.312    89.550    23.374    89.397    22.775    24.544  3.6680  24.590  3.5616  -0.4606247E-01 5.112700 
1 1 1 -29 -11 3  o 11.764  2.9589  19.306    11.835    14.673    18.223    22.686    15.564    11.137  4.3030  12.392  4.0626  -1.255070      5.917848 
1 1 1 -29 -11 4  o 24.813  2.4987  89.977    16.057    102.431   23.547    79.153    21.952    26.516  3.3933  23.111  3.6687  3.404467       4.997405 
1 1 1 -29 -11 5  o 9.5218  2.6658  7.9912    9.8629    13.085    16.077    4.9174    12.489    10.592  4.0548  8.4511  3.4617  2.141385       5.331522 
1 1 1 -29 -11 6  o 22.257  2.6642  73.875    15.222    70.605    22.525    76.623    20.650    21.637  4.0351  22.877  3.4798  -1.239408      5.328333 
1 1 1 -29 -11 7  o 24.240  2.5388  85.481    15.870    100.535   23.531    72.923    21.493    26.307  3.4205  22.174  3.7527  4.132982       5.077695 
1 1 1 -29 -11 8  o 14.623  2.8910  30.439    12.321    48.371    18.891    17.164    16.254    17.849  4.0450  11.396  4.1317  6.452336       5.782085 
1 1 1 -29 -11 9  o 25.988  2.5207  97.432    16.467    133.779   24.698    68.343    22.095    30.646  3.0493  21.330  4.0147  9.316380       5.041426 
1 1 1 -29 -11 10 o 12.553  2.7933  23.646    11.147    11.085    18.010    31.446    14.192    10.612  4.2241  14.494  3.6561  -3.881856      5.586618 
1 1 1 -29 -11 11 o 9.3099  2.7004  5.7248    10.558    9.3251    16.855    3.3998    13.545    10.136  4.0687  8.4840  3.5518  1.651870       5.400894 
1 1 1 -29 -11 12 o 16.439  3.0791  40.872    13.706    48.376    20.985    35.290    18.099    17.691  4.4366  15.187  4.2707  2.504348       6.158118 
1 1 1 -29 -11 13 o 25.335  2.6596  95.700    17.209    83.567    25.413    105.978   23.388    23.546  4.1826  27.125  3.2863  -3.578032      5.319186 
1 1 1 -29 -11 14 o 11.713  2.9913  17.649    12.761    5.2162    19.836    26.427    16.667    10.118  4.2703  13.308  4.1900  -3.190070      5.982614 
1 1 1 -29 -11 15 o 26.893  2.5772  105.651   18.059    113.196   26.257    98.878    24.879    27.837  3.6063  25.949  3.6828  1.887747       5.154398 
1 1 1 -29 -11 16 o 15.718  3.1714  37.635    14.121    46.973    20.991    29.917    19.084    17.383  4.4802  14.054  4.4898  3.328367       6.342814 
1 1 1 -29 -11 17 o 22.759  2.9349  78.257    17.189    80.032    25.327    76.742    23.404    22.921  4.2829  22.597  4.0138  0.3239594      5.869717 
1 1 1 -29 -11 18 o 22.173  3.0283  75.760    17.272    65.125    24.861    85.681    24.013    20.378  4.6565  23.967  3.8727  -3.588840      6.056505 
1 1 1 -29 -11 19 o 23.914  2.9372  86.795    18.126    85.373    25.809    88.179    25.463    23.669  4.2260  24.159  4.0804  -0.4891243     5.874378 
1 1 1 -29 -11 20 o 10.509  2.9267  6.6266    13.248    24.320    19.343    -9.0086   18.183    12.916  4.5261  8.1024  3.7118  4.813878       5.853457 
1 1 1 -29 -11 21 o 14.664  3.3623  33.660    15.257    27.798    21.774    39.315    21.386    13.619  4.7999  15.710  4.7096  -2.091580      6.724555 
1 1 1 -29 -11 22 o 27.097  2.9164  112.686   20.248    94.741    28.656    130.577   28.614    24.574  4.5202  29.620  3.6864  -5.045912      5.832829 
1 1 1 -29 -11 23 o 7.9561  2.6088  -13.9231  13.552    -3.1126   19.201    -24.6538  19.130    8.8619  3.9593  7.0503  3.3982  1.811555       5.217629 
1 1 1 -29 -10 1  o 23.299  2.4801  79.880    14.989    81.467    21.649    78.419    20.772    23.500  3.5501  23.098  3.4643  0.4017296      4.960287 
1 1 1 -29 -10 2  o 8.2320  3.5620  0.3591    14.437    0.3591    14.437    0.0000    0.0000    8.2320  3.5620  ?       ?       ?              ?        
1 1 1 -29 -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 10 o 15.661  5.3644  37.639    27.100    37.639    27.100    0.0000    0.0000    15.661  5.3644  ?       ?       ?              ?        
1 1 1 -29 -10 11 o 23.385  3.8134  80.729    23.063    80.729    23.063    0.0000    0.0000    23.385  3.8134  ?       ?       ?              ?        
1 1 1 -29 -10 12 o 10.216  2.7133  12.385    10.089    6.9449    16.699    15.513    12.661    9.7592  4.0008  10.673  3.6662  -0.9142141     5.426547 
1 1 1 -29 -10 13 o 39.704  2.2859  224.459   24.080    230.780   34.895    218.713   33.272    40.214  3.2680  39.194  3.1972  1.019642       4.571862 
1 1 1 -29 -10 14 o 25.985  2.5123  98.130    17.013    100.289   24.654    96.168    23.507    26.232  3.6042  25.737  3.5008  0.4950485      5.024506 
1 1 1 -29 -10 15 o 28.294  2.5565  116.492   18.654    139.746   27.004    95.265    25.799    31.224  3.2778  25.365  3.9241  5.858692       5.112916 
1 1 1 -29 -10 16 o 27.549  2.5549  110.806   18.352    107.912   26.595    113.436   25.357    27.108  3.7643  27.991  3.4555  -0.8822403     5.109859 
1 1 1 -29 -10 17 o 9.4958  2.8111  4.8814    11.936    5.4779    17.909    4.4047    16.009    9.7741  4.0873  9.2175  3.8603  0.5566101      5.622128 
1 1 1 -29 -10 18 o 17.110  3.1735  44.879    15.151    60.801    22.121    30.810    20.794    19.947  4.2693  14.273  4.6967  5.674537       6.347048 
1 1 1 -29 -10 19 o 36.091  2.4414  188.748   23.214    171.003   32.735    206.699   32.926    34.235  3.6250  37.947  3.2714  -3.711861      4.882860 
1 1 1 -29 -10 20 o 16.572  3.3081  43.214    15.330    45.792    22.052    40.803    21.325    17.034  4.6864  16.110  4.6703  0.9235516      6.616180 
1 1 1 -29 -10 21 f 18.087  3.1441  52.033    16.405    24.810    23.351    78.561    23.051    13.301  4.9307  22.873  3.9025  -9.572700      6.288232 
1 1 1 -29 -10 22 o 34.710  2.5526  177.601   23.234    158.697   32.915    196.374   32.800    32.655  3.8363  36.766  3.3682  -4.111237      5.105101 
1 1 1 -29 -10 23 o 46.775  2.4186  319.131   30.091    316.986   42.384    321.311   42.729    46.619  3.4181  46.932  3.4227  -0.3129158     4.837191 
1 1 1 -29 -10 24 o 13.959  3.4170  30.154    15.855    37.209    22.029    22.571    22.838    15.175  4.8212  12.743  4.8436  2.432494       6.834079 
1 1 1 -29 -10 25 o 14.407  3.4493  32.513    16.407    20.680    22.895    45.006    23.524    12.384  4.8124  16.429  4.9427  -4.045194      6.898530 
1 1 1 -29 -9  1  o 8.6065  2.2839  3.9855    8.7221    -15.2204  13.655    17.220    11.336    6.2833  2.9857  10.930  3.4570  -4.646433      4.567862 
1 1 1 -29 -9  2  o 15.645  2.6611  38.573    11.667    19.932    17.383    53.851    15.737    12.024  4.2833  19.266  3.1592  -7.242021      5.322297 
1 1 1 -29 -9  3  o 14.278  2.8598  31.215    11.517    26.499    17.334    34.943    15.411    13.330  4.2812  15.226  3.7928  -1.895967      5.719595 
1 1 1 -29 -9  4  o 14.613  2.6984  30.484    11.084    47.174    17.009    18.166    14.612    17.792  3.6902  11.433  3.9380  6.358824       5.396761 
1 1 1 -29 -9  5  f 9.7048  2.6465  9.8887    9.5373    12.065    15.308    8.5077    12.193    10.329  3.9560  9.0804  3.5166  1.248756       5.293051 
1 1 1 -29 -9  6  o 10.014  2.5821  8.2866    9.6534    23.353    15.212    -1.8712   12.491    12.614  4.0063  7.4135  3.2585  5.200030       5.164140 
1 1 1 -29 -9  7  o 9.3837  2.4710  4.5217    8.9971    21.653    14.713    -5.7115   11.371    12.219  3.9463  6.5485  2.9750  5.670493       4.942057 
1 1 1 -29 -9  8  o 30.887  2.2050  135.261   17.947    147.554   26.398    124.697   24.473    32.208  3.0982  29.565  3.1383  2.642467       4.409992 
1 1 1 -29 -9  9  o 36.796  2.1692  191.753   21.148    195.612   30.937    188.369   28.975    37.094  3.1433  36.497  2.9902  0.5973625      4.338408 
1 1 1 -29 -9  10 o 27.035  2.3399  105.336   16.491    101.958   24.335    108.204   22.425    26.514  3.5132  27.556  3.0915  -1.042282      4.679749 
1 1 1 -29 -9  11 o 25.721  2.4037  94.781    16.061    108.934   23.843    83.024    21.731    27.541  3.2978  23.901  3.4981  3.640503       4.807478 
1 1 1 -29 -9  12 o 11.908  3.2171  15.643    12.426    21.745    26.299    13.890    14.099    13.300  5.1608  10.515  3.8425  2.785577       6.434189 
1 1 1 -29 -9  13 o 27.897  3.9781  114.958   28.883    0.0000    0.0000    114.958   28.883    ?       ?       27.897  3.9781  ?              ?        
1 1 1 -29 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -9  15 o 14.380  3.0610  31.398    12.850    26.983    18.941    35.164    17.492    13.542  4.4837  15.218  4.1684  -1.675924      6.122039 
1 1 1 -29 -9  16 o 17.228  3.0624  44.946    14.328    58.075    21.042    33.597    19.564    19.608  4.1367  14.847  4.5167  4.760030       6.124740 
1 1 1 -29 -9  17 o 35.290  2.3955  178.948   22.352    184.519   31.547    173.332   31.674    35.893  3.3190  34.687  3.4552  1.205750       4.791029 
1 1 1 -29 -9  18 o 11.549  3.0706  15.224    13.320    24.454    19.042    6.3815    18.638    13.045  4.4954  10.054  4.1840  2.991182       6.141161 
1 1 1 -29 -9  19 o 28.199  2.6843  117.783   19.456    98.441    27.633    136.796   27.398    25.600  4.1738  30.797  3.3767  -5.197081      5.368651 
1 1 1 -29 -9  20 o 17.023  3.3758  45.675    16.018    44.556    22.818    46.763    22.491    16.806  4.8192  17.240  4.7286  -0.4341354     6.751611 
1 1 1 -29 -9  21 o 36.443  2.4420  192.468   23.548    189.259   33.343    195.661   33.262    36.108  3.4911  36.778  3.4155  -0.6695976     4.883961 
1 1 1 -29 -9  22 o 20.099  3.2137  63.745    17.039    49.987    24.179    77.316    24.014    17.644  4.9273  22.555  4.1271  -4.911356      6.427392 
1 1 1 -29 -9  23 o 11.184  3.0956  11.016    14.533    -4.4511   20.758    25.886    20.353    9.1330  4.0959  13.235  4.6426  -4.102439      6.191100 
1 1 1 -29 -9  24 o 16.845  2.9005  39.603    12.123    58.252    22.584    32.054    14.368    19.190  4.4759  14.500  3.6903  4.689878       5.800999 
1 1 1 -29 -9  25 o 13.299  3.0442  23.103    11.587    40.786    21.781    16.123    13.684    15.840  4.7540  10.758  3.8037  5.081545       6.088398 
1 1 1 -29 -9  26 o 28.368  2.5051  119.464   17.487    122.872   30.209    117.746   21.445    28.156  4.1282  28.580  2.8390  -0.4235001     5.010234 
1 1 1 -29 -8  1  o 17.462  2.8707  46.510    13.153    45.931    19.260    47.015    18.006    17.293  4.1999  17.632  3.9147  -0.3386822     5.741390 
1 1 1 -29 -8  2  o 9.8053  2.6034  11.352    9.2672    9.3056    14.079    12.917    12.310    9.5944  3.7612  10.016  3.6006  -0.4217749     5.206810 
1 1 1 -29 -8  3  o 13.959  2.8042  29.324    10.918    29.881    16.540    28.894    14.533    14.051  4.1246  13.867  3.8001  0.1835966      5.608316 
1 1 1 -29 -8  4  o 22.572  2.4026  74.668    13.925    67.412    20.447    80.943    19.016    21.359  3.7085  23.785  3.0555  -2.425591      4.805112 
1 1 1 -29 -8  5  o 8.9181  2.4460  4.9479    8.5146    16.087    13.942    -1.6780   10.753    10.936  3.8421  6.8999  3.0282  4.036446       4.892015 
1 1 1 -29 -8  6  o 8.6023  2.3342  7.8207    7.5017    3.9202    12.607    9.9589    9.3341    8.3436  3.4541  8.8611  3.1406  -0.5174990     4.668390 
1 1 1 -29 -8  7  o 37.527  2.1065  198.962   20.967    199.153   30.487    198.791   28.882    37.489  3.0630  37.565  2.8928  -0.7609177E-01 4.213071 
1 1 1 -29 -8  8  o 26.030  2.2921  97.741    15.492    91.070    22.819    103.444   21.100    25.054  3.4956  27.006  2.9659  -1.951447      4.584293 
1 1 1 -29 -8  9  o 12.758  2.7505  23.220    10.174    29.219    15.914    19.072    13.231    13.959  4.0310  11.558  3.7433  2.400370       5.501013 
1 1 1 -29 -8  10 o 17.207  2.7269  44.347    12.168    43.668    18.557    44.859    16.117    16.978  4.1220  17.435  3.5712  -0.4570904     5.453891 
1 1 1 -29 -8  11 o 12.052  2.7937  20.389    10.288    23.768    16.050    18.032    13.403    12.770  4.1214  11.334  3.7727  1.436468       5.587428 
1 1 1 -29 -8  12 f 14.430  2.8325  31.396    11.297    30.013    17.185    32.448    14.992    14.131  4.2186  14.729  3.7809  -0.5981445     5.664984 
1 1 1 -29 -8  13 o 26.059  2.4342  98.971    16.365    87.007    23.756    109.776   22.576    24.346  3.7645  27.773  3.0871  -3.426905      4.868435 
1 1 1 -29 -8  14 f 12.642  2.8547  23.452    11.037    18.756    16.658    27.125    14.735    11.795  4.1940  13.489  3.8740  -1.694036      5.709398 
1 1 1 -29 -8  15 f 10.404  3.0557  8.2826    12.318    3.0384    26.535    9.7230    13.907    11.133  4.8233  9.6743  3.7532  1.458981       6.111498 
1 1 1 -29 -8  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -8  17 o 15.608  3.0688  37.504    13.564    28.676    19.687    45.481    18.714    13.893  4.5698  17.324  4.0973  -3.431603      6.137619 
1 1 1 -29 -8  18 o 20.248  2.9962  62.460    15.733    54.588    22.406    70.117    22.098    18.809  4.5064  21.687  3.9497  -2.878374      5.992336 
1 1 1 -29 -8  19 o 15.527  3.2336  37.090    14.509    30.643    20.521    43.534    20.516    14.271  4.6642  16.783  4.4800  -2.512209      6.467295 
1 1 1 -29 -8  20 o 34.241  2.4743  170.139   22.205    149.826   31.405    190.443   31.399    32.002  3.7341  36.480  3.2474  -4.478783      4.948644 
1 1 1 -29 -8  21 o 18.798  3.0377  56.235    15.944    26.845    22.889    83.940    22.223    13.671  4.9102  23.924  3.5779  -10.25340      6.075431 
1 1 1 -29 -8  22 o 9.3364  2.6426  6.5491    8.9849    13.444    17.636    4.1322    10.442    10.892  4.2262  7.7811  3.1737  3.110684       5.285182 
1 1 1 -29 -8  23 o 16.160  2.9170  36.352    11.981    53.556    21.797    28.904    14.343    18.505  4.4518  13.815  3.7706  4.689962       5.834082 
1 1 1 -29 -8  24 o 27.546  2.3044  102.066   15.975    142.619   27.877    82.237    19.493    31.273  3.3818  23.820  3.1312  7.453838       4.608782 
1 1 1 -29 -8  25 o 9.5846  2.7995  6.9047    10.561    9.3276    20.485    6.0276    12.326    10.616  4.3996  8.5528  3.4631  2.063620       5.599068 
1 1 1 -29 -8  26 o 9.3011  2.7416  3.3680    9.9717    15.648    20.168    -0.6053   11.472    11.397  4.4910  7.2052  3.1459  4.191656       5.483199 
1 1 1 -29 -7  1  o 47.111  2.0771  313.718   26.077    318.647   37.156    308.932   36.608    47.478  2.9361  46.744  2.9388  0.7338104      4.154235 
1 1 1 -29 -7  2  o 11.514  2.6407  18.760    9.2514    21.563    14.107    16.645    12.255    12.150  3.8580  10.879  3.6068  1.271790       5.281345 
1 1 1 -29 -7  3  o 25.154  2.2858  91.232    14.968    88.198    21.973    93.858    20.446    24.658  3.4190  25.650  3.0348  -0.9923096     4.571601 
1 1 1 -29 -7  4  o 4.8758  1.6567  -9.9909   5.3677    -8.3501   10.240    -10.6125  6.3031    5.8304  2.7112  3.9211  1.9046  1.909240       3.313340 
1 1 1 -29 -7  5  o 41.584  2.0609  243.039   22.785    256.056   33.119    231.341   31.396    42.641  2.9173  40.526  2.9118  2.114853       4.121746 
1 1 1 -29 -7  6  o 12.138  2.5450  21.897    9.2266    13.754    14.094    28.005    12.205    10.490  3.8406  13.786  3.3405  -3.295871      5.090082 
1 1 1 -29 -7  7  o 10.477  2.5826  14.191    8.8556    17.940    13.586    11.422    11.677    11.331  3.7987  9.6226  3.4999  1.708261       5.165233 
1 1 1 -29 -7  8  o 12.459  2.6873  22.914    9.8633    19.005    15.001    25.891    13.091    11.694  3.9913  13.224  3.5994  -1.529688      5.374616 
1 1 1 -29 -7  9  o 33.283  2.1048  156.227   18.544    160.130   26.993    152.738   25.519    33.649  3.0274  32.916  2.9249  0.7333450      4.209549 
1 1 1 -29 -7  10 o 4.4177  1.4297  -4.7409   4.0740    -26.6040  9.2993    0.4520    4.5321    3.9863  2.0001  4.8491  2.0436  -0.8628144     2.859465 
1 1 1 -29 -7  11 o 10.575  2.5548  12.837    9.1056    24.269    14.119    4.6970    11.914    12.832  3.8222  8.3181  3.3912  4.514104       5.109696 
1 1 1 -29 -7  12 f 10.665  2.6247  15.279    9.1900    12.697    14.345    17.076    11.969    10.331  3.8578  10.998  3.5601  -0.6672239     5.249404 
1 1 1 -29 -7  13 o 15.326  2.7791  35.057    11.447    38.793    16.917    31.901    15.547    16.063  3.9578  14.589  3.9025  1.473886       5.558190 
1 1 1 -29 -7  14 o 7.9322  2.3658  1.8409    8.7064    -3.5974   13.656    5.5651    11.301    7.5434  3.3568  8.3211  3.3347  -0.7776327     4.731639 
1 1 1 -29 -7  15 o 24.848  2.5261  89.970    16.273    87.091    23.696    92.539    22.388    24.368  3.7507  25.329  3.3846  -0.9602642     5.052109 
1 1 1 -29 -7  16 o 24.010  2.6523  85.057    16.235    103.810   23.245    67.197    22.686    26.886  3.2970  21.134  4.1556  5.751648       5.304644 
1 1 1 -29 -7  17 o 12.297  4.3982  20.578    18.346    0.0000    0.0000    20.578    18.346    ?       ?       12.297  4.3982  ?              ?        
1 1 1 -29 -7  18 o 19.371  5.2444  60.063    27.878    60.063    27.878    0.0000    0.0000    19.371  5.2444  ?       ?       ?              ?        
1 1 1 -29 -7  19 o 44.989  2.0153  282.580   23.603    293.832   37.870    275.433   30.181    45.503  3.1262  44.474  2.5442  1.029114       4.030583 
1 1 1 -29 -7  20 o 17.183  2.6977  43.423    11.489    46.511    20.234    41.954    13.957    17.391  4.3538  16.975  3.1869  0.4168987      5.395488 
1 1 1 -29 -7  21 o 15.519  2.7826  32.681    11.054    50.008    19.882    24.929    13.299    18.100  4.1846  12.938  3.6687  5.161356       5.565107 
1 1 1 -29 -7  22 o 11.943  2.9167  19.823    10.789    19.765    19.565    19.848    12.934    12.209  4.5158  11.677  3.6926  0.5322008      5.833360 
1 1 1 -29 -7  23 o 20.130  2.6805  52.891    13.312    93.762    23.884    34.475    16.033    25.220  3.6412  15.040  3.9347  10.17974       5.360953 
1 1 1 -29 -7  24 o 16.148  2.9789  36.558    12.366    54.221    22.308    28.723    14.858    18.556  4.5284  13.740  3.8715  4.815370       5.957741 
1 1 1 -29 -7  25 o 11.273  2.9267  12.032    10.818    30.554    20.834    5.1939    12.659    14.049  4.7041  8.4968  3.4833  5.552636       5.853395 
1 1 1 -29 -7  26 o 12.746  2.6752  25.771    12.288    -9.0693   22.177    41.207    14.762    8.9388  4.0965  16.552  3.4418  -7.613491      5.350456 
1 1 1 -29 -7  27 o 28.315  2.6448  123.017   18.010    114.713   31.170    127.179   22.066    26.888  4.4860  29.743  2.8028  -2.854635      5.289662 
1 1 1 -29 -6  1  o 15.485  2.6090  35.457    10.689    42.905    15.934    29.363    14.412    16.984  3.6137  13.986  3.7642  2.998181       5.218052 
1 1 1 -29 -6  2  o 25.808  2.2031  95.816    14.798    87.957    21.558    102.818   20.348    24.665  3.3498  26.952  2.8625  -2.286570      4.406296 
1 1 1 -29 -6  3  o 39.118  2.0590  216.455   21.317    203.111   30.941    228.512   29.410    37.847  3.0789  40.389  2.7347  -2.542191      4.118047 
1 1 1 -29 -6  4  o 44.967  2.0453  283.752   24.483    297.447   35.458    271.273   33.847    46.007  2.8922  43.928  2.8928  2.078400       4.090614 
1 1 1 -29 -6  5  o 6.2391  1.9162  -5.0191   6.0711    5.4901    10.093    -10.9768  7.5995    7.9976  3.1689  4.4806  2.1553  3.516977       3.832389 
1 1 1 -29 -6  6  o 24.673  2.1976  87.062    14.125    83.365    20.692    90.288    19.330    24.085  3.2938  25.262  2.9100  -1.176558      4.395116 
1 1 1 -29 -6  7  o 12.933  2.4839  23.714    9.0217    33.579    13.664    16.090    12.012    15.098  3.4538  10.768  3.5709  4.330042       4.967897 
1 1 1 -29 -6  8  o 46.335  2.0695  301.230   25.536    303.239   36.817    299.367   35.450    46.449  2.9749  46.220  2.8777  0.2287560      4.138975 
1 1 1 -29 -6  9  o 5.8159  1.8716  -4.6362   6.2102    -5.5556   10.154    -4.0868   7.8493    6.1591  2.8032  5.4727  2.4806  0.6863699      3.743206 
1 1 1 -29 -6  10 o 33.547  2.1298  158.751   18.913    160.374   27.437    157.281   26.107    33.675  3.0758  33.419  2.9468  0.2566452      4.259632 
1 1 1 -29 -6  11 o 16.921  2.5712  41.792    11.303    50.624    16.856    34.575    15.237    18.604  3.5114  15.238  3.7570  3.365836       5.142434 
1 1 1 -29 -6  12 o 7.8164  2.2861  3.2867    7.7578    -0.0205   12.507    5.3550    9.8904    7.7100  3.3258  7.9229  3.1377  -0.2129221     4.572290 
1 1 1 -29 -6  13 o 31.778  2.2291  143.267   18.650    159.062   26.853    128.546   25.923    33.555  3.0201  30.001  3.2794  3.554279       4.458184 
1 1 1 -29 -6  14 o 20.712  2.6122  63.764    13.833    52.770    19.923    73.998    19.222    18.735  4.0853  22.688  3.2565  -3.952442      5.224405 
1 1 1 -29 -6  15 f 25.635  2.4793  95.243    16.545    90.049    23.514    100.335   23.284    24.860  3.6390  26.409  3.3684  -1.548670      4.958698 
1 1 1 -29 -6  16 o 23.233  2.2156  74.766    12.844    85.856    22.163    69.157    15.761    24.326  3.5025  22.141  2.7144  2.184217       4.431217 
1 1 1 -29 -6  17 o 24.294  2.3126  86.974    13.688    77.813    23.007    91.994    17.031    22.929  3.8848  25.658  2.5103  -2.728765      4.625274 
1 1 1 -29 -6  18 o 25.959  3.0817  105.158   16.409    94.168    35.683    108.106   18.479    24.092  5.6309  27.826  2.5063  -3.734629      6.163455 
1 1 1 -29 -6  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -6  20 o 9.0990  2.4896  7.9691    9.1520    -5.8529   16.411    14.208    11.026    8.0256  3.6169  10.172  3.4220  -2.146746      4.979164 
1 1 1 -29 -6  21 o 15.413  2.8398  36.754    11.493    32.221    20.117    38.950    14.003    14.544  4.6059  16.282  3.3233  -1.737882      5.679642 
1 1 1 -29 -6  22 o 27.609  2.3309  109.610   16.059    110.914   27.108    108.905   19.933    27.426  3.7916  27.793  2.7122  -0.3674622     4.661816 
1 1 1 -29 -6  23 o 22.126  2.8558  85.004    14.723    45.622    25.299    105.174   18.105    16.858  5.1379  27.394  2.4948  -10.53564      5.711578 
1 1 1 -29 -6  24 o 24.857  2.7013  95.702    15.780    81.495    27.596    102.604   19.234    22.791  4.6774  26.923  2.7038  -4.132536      5.402627 
1 1 1 -29 -6  25 o 8.2765  2.5576  -0.0834   10.552    -13.4434  19.830    5.1946    12.464    8.0927  3.7665  8.4604  3.4610  -0.3676767     5.115161 
1 1 1 -29 -6  26 o 17.236  3.0134  50.171    13.597    34.794    24.529    56.993    16.338    14.786  5.1016  19.687  3.2089  -4.900846      6.026877 
1 1 1 -29 -6  27 o 34.379  2.4011  172.340   20.429    179.875   35.744    168.685   24.896    34.382  3.9532  34.375  2.7263  0.7724762E-02  4.802137 
1 1 1 -29 -5  1  o 25.449  2.1739  94.172    14.137    77.404    20.775    108.634   19.293    23.062  3.4708  27.835  2.6185  -4.773052      4.347727 
1 1 1 -29 -5  2  o 54.958  2.7920  436.425   37.353    429.905   44.690    451.536   68.035    55.202  3.0342  54.714  4.6877  0.4878960      5.583947 
1 1 1 -29 -5  3  o 53.383  2.9999  401.156   42.721    401.156   42.721    0.0000    0.0000    53.383  2.9999  ?       ?       ?              ?        
1 1 1 -29 -5  4  o 28.843  2.9749  117.625   22.653    117.625   22.653    0.0000    0.0000    28.843  2.9749  ?       ?       ?              ?        
1 1 1 -29 -5  5  o 27.272  3.1716  111.412   18.959    111.338   21.763    111.645   38.617    28.086  2.9363  26.458  5.6226  1.627935       6.343127 
1 1 1 -29 -5  6  o 31.119  2.0504  136.177   16.566    169.510   24.106    106.349   22.804    34.900  2.5974  27.337  3.1733  7.562248       4.100818 
1 1 1 -29 -5  7  o 31.852  2.0253  142.285   17.085    148.043   24.613    136.930   23.736    32.481  2.8582  31.224  2.8703  1.257401       4.050621 
1 1 1 -29 -5  8  o 15.875  2.4245  36.668    10.055    46.729    14.746    27.926    13.745    18.006  3.1734  13.743  3.6663  4.263055       4.848923 
1 1 1 -29 -5  9  o 11.259  2.4706  17.295    8.3893    24.368    12.617    11.689    11.232    12.880  3.5452  9.6370  3.4419  3.243241       4.941225 
1 1 1 -29 -5  10 o 24.455  2.2468  84.935    14.198    101.708   20.760    70.198    19.460    26.852  2.9342  22.058  3.4033  4.794430       4.493525 
1 1 1 -29 -5  11 o 13.468  2.5152  25.380    9.6450    39.656    14.598    14.319    12.849    16.467  3.4215  10.470  3.6876  5.996163       5.030400 
1 1 1 -29 -5  12 o 11.701  2.5131  18.310    9.0188    29.359    13.546    9.5124    12.087    14.095  3.5810  9.3079  3.5271  4.786889       5.026299 
1 1 1 -29 -5  13 o 7.4143  2.1255  1.7043    5.9407    9.4622    11.724    -0.9759   6.8909    9.2211  3.4786  5.6075  2.4435  3.613634       4.251052 
1 1 1 -29 -5  14 o 30.065  2.0224  127.366   15.459    126.174   25.456    128.062   19.457    29.746  3.2478  30.383  2.4107  -0.6363907     4.044715 
1 1 1 -29 -5  15 f 8.6762  2.2821  3.0780    7.0080    18.939    13.314    -3.0008   8.2422    11.550  3.7560  5.8020  2.5930  5.748354       4.564130 
1 1 1 -29 -5  16 o 15.876  2.5193  34.266    10.118    49.973    17.478    26.350    12.408    18.391  3.6767  13.361  3.4451  5.030161       5.038533 
1 1 1 -29 -5  17 o 20.436  2.3887  56.311    12.157    79.072    20.942    44.743    14.930    23.351  3.4524  17.522  3.3023  5.829163       4.777482 
1 1 1 -29 -5  18 o 17.910  2.5954  49.265    11.445    41.641    19.596    53.212    14.099    16.479  4.3688  19.342  2.8032  -2.862955      5.190805 
1 1 1 -29 -5  19 o 14.303  3.0893  31.845    11.821    21.624    27.046    34.259    13.143    13.339  5.2175  15.267  3.3096  -1.927960      6.178681 
1 1 1 -29 -5  20 o 19.987  5.2835  64.286    28.714    64.286    28.714    0.0000    0.0000    19.987  5.2835  ?       ?       ?              ?        
1 1 1 -29 -5  21 o 12.529  2.8679  22.623    10.513    22.816    18.761    22.535    12.693    12.708  4.4573  12.350  3.6099  0.3577490      5.735772 
1 1 1 -29 -5  22 o 21.278  2.5018  62.685    13.098    79.362    23.176    54.859    15.876    23.090  3.8852  19.465  3.1529  3.625267       5.003581 
1 1 1 -29 -5  23 o 18.910  2.8479  61.076    13.585    33.727    23.332    75.103    16.710    14.819  4.9780  23.000  2.7680  -8.180917      5.695829 
1 1 1 -29 -5  24 o 11.038  2.8916  15.174    10.539    16.650    19.916    14.600    12.420    11.696  4.5042  10.379  3.6275  1.317249       5.783296 
1 1 1 -29 -5  25 o 24.395  2.6007  85.860    15.491    96.276    27.416    80.974    18.776    25.090  4.2300  23.700  3.0269  1.390049       5.201407 
1 1 1 -29 -5  26 o 32.422  2.2965  146.964   18.666    171.990   32.817    134.994   22.695    34.064  3.6538  30.779  2.7830  3.284842       4.592929 
1 1 1 -29 -5  27 o 14.330  3.2237  28.424    12.738    45.537    24.655    22.193    14.878    16.521  5.0788  12.138  3.9716  4.383204       6.447360 
1 1 1 -29 -5  28 o 15.057  3.3359  36.420    14.075    38.493    26.637    35.616    16.578    15.126  5.3108  14.989  4.0384  0.1371937      6.671855 
1 1 1 -29 -4  1  o 38.931  1.9679  212.441   20.352    212.471   29.607    212.415   28.023    38.883  2.8629  38.978  2.7008  -0.9518051E-01 3.935777 
1 1 1 -29 -4  2  o 28.166  2.0166  112.368   14.893    103.405   21.681    120.376   20.494    26.987  3.0531  29.344  2.6355  -2.357012      4.033298 
1 1 1 -29 -4  3  o 61.528  2.1486  532.240   35.284    512.362   50.659    550.969   49.172    60.273  3.1488  62.783  2.9241  -2.509350      4.297138 
1 1 1 -29 -4  4  o 49.777  2.0469  346.650   27.163    348.633   39.003    344.783   37.850    49.888  2.9318  49.665  2.8573  0.2226028      4.093863 
1 1 1 -29 -4  5  o 29.625  1.9991  122.934   15.613    136.505   22.507    110.347   21.676    31.262  2.7148  27.987  2.9352  3.275017       3.998179 
1 1 1 -29 -4  6  o 15.154  2.3329  33.540    9.1873    32.384    13.408    34.564    12.614    14.860  3.4370  15.448  3.1553  -0.5876999     4.665718 
1 1 1 -29 -4  7  o 12.712  2.3745  23.858    8.3647    17.805    12.219    29.197    11.475    11.235  3.5930  14.190  3.1054  -2.955183      4.749024 
1 1 1 -29 -4  8  o 24.050  3.4044  83.033    21.318    0.0000    0.0000    83.033    21.318    ?       ?       24.050  3.4044  ?              ?        
1 1 1 -29 -4  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -4  10 f 14.043  2.2651  32.365    8.2913    16.204    14.484    40.243    10.112    11.102  3.9146  16.985  2.2803  -5.883910      4.530297 
1 1 1 -29 -4  11 o 11.108  2.1919  19.388    7.2221    6.3623    13.063    25.122    8.6672    8.9251  3.5822  13.290  2.5271  -4.365349      4.383870 
1 1 1 -29 -4  12 o 13.162  2.3779  25.225    8.0822    25.245    14.068    25.216    9.8746    13.102  3.7919  13.222  2.8705  -0.1206064     4.755847 
1 1 1 -29 -4  13 o 15.275  2.1822  28.433    8.5760    59.662    15.147    13.698    10.404    20.535  2.8290  10.016  3.3234  10.51824       4.364466 
1 1 1 -29 -4  14 o 22.489  2.2202  73.816    12.244    66.679    20.384    77.845    15.315    21.341  3.7002  23.637  2.4549  -2.295872      4.440452 
1 1 1 -29 -4  15 o 18.533  2.4306  49.255    11.131    52.807    18.994    47.396    13.738    18.845  3.8918  18.221  2.9130  0.6244297      4.861293 
1 1 1 -29 -4  16 o 16.090  2.4500  36.125    9.8322    45.299    17.036    31.543    12.040    17.466  3.7534  14.714  3.1499  2.752053       4.899986 
1 1 1 -29 -4  17 o 19.399  2.3285  50.512    11.242    71.853    19.363    39.661    13.807    22.297  3.3454  16.500  3.2396  5.797337       4.656919 
1 1 1 -29 -4  18 o 10.769  2.5573  16.420    8.7301    9.5445    15.589    19.562    10.538    9.9620  3.9411  11.575  3.2600  -1.613218      5.114625 
1 1 1 -29 -4  19 o 16.150  2.6857  36.811    10.932    47.445    19.091    31.623    13.335    17.689  4.1080  14.611  3.4607  3.078466       5.371438 
1 1 1 -29 -4  20 o 23.193  4.2325  81.224    25.325    0.0000    0.0000    81.224    25.325    ?       ?       23.193  4.2325  ?              ?        
1 1 1 -29 -4  21 o 16.921  2.9940  42.503    13.846    60.643    21.000    28.550    18.416    20.052  4.0494  13.791  4.4111  6.260595       5.987952 
1 1 1 -29 -4  22 o 6.3975  2.1377  -13.9761  7.9116    -2.1578   15.920    -17.8520  9.1171    8.3114  3.6650  4.4836  2.2017  3.827779       4.275450 
1 1 1 -29 -4  23 o 22.157  2.6260  71.017    14.119    77.740    25.043    67.884    17.095    22.572  4.2992  21.741  3.0169  0.8304062      5.252091 
1 1 1 -29 -4  24 o 14.498  2.9714  24.508    12.144    56.007    22.669    11.831    14.381    18.908  4.5345  10.088  3.8413  8.820824       5.942815 
1 1 1 -29 -4  25 o 30.076  2.3091  123.373   17.471    158.158   30.771    106.825   21.223    32.837  3.5553  27.315  2.9475  5.521738       4.618241 
1 1 1 -29 -4  26 o 25.124  2.5791  88.189    15.853    112.120   28.763    77.747    19.000    27.141  4.0830  23.107  3.1521  4.034168       5.158168 
1 1 1 -29 -4  27 o 12.848  3.1741  24.702    12.789    22.049    24.278    25.721    15.046    12.762  4.9567  12.935  3.9661  -0.1725931     6.348150 
1 1 1 -29 -4  28 o 16.529  3.3608  41.867    14.578    56.064    27.174    36.131    17.274    18.001  5.2875  15.057  4.1499  2.943922       6.721568 
1 1 1 -29 -3  1  o 45.223  1.9872  286.424   23.903    277.596   34.532    294.545   33.121    44.479  2.9147  45.967  2.7020  -1.488316      3.974411 
1 1 1 -29 -3  2  o 67.038  2.1781  630.088   39.097    652.701   55.933    608.484   54.671    68.233  3.0605  65.843  3.1000  2.389992       4.356196 
1 1 1 -29 -3  3  o 46.148  1.9726  296.612   24.217    322.847   34.830    272.061   33.694    48.178  2.7101  44.117  2.8669  4.060986       3.945120 
1 1 1 -29 -3  4  o 18.512  2.1018  48.936    9.9076    61.617    14.376    37.464    13.674    20.966  2.6169  16.058  3.2896  4.907450       4.203588 
1 1 1 -29 -3  5  f 35.698  1.7946  176.472   16.606    177.020   26.623    176.122   21.246    35.607  2.8145  35.788  2.2274  -0.1818924     3.589211 
1 1 1 -29 -3  6  o 7.5341  1.8740  5.8182    4.4842    10.844    8.0508    3.5580    5.3992    8.9483  2.9213  6.1198  2.3481  2.828551       3.748009 
1 1 1 -29 -3  7  o 23.949  1.8603  80.837    11.251    77.114    18.391    83.064    14.224    23.350  3.0106  24.547  2.1862  -1.197273      3.720625 
1 1 1 -29 -3  8  o 10.997  1.9656  14.729    5.8552    28.177    10.164    8.0489    7.1632    14.029  2.8030  7.9641  2.7564  6.064896       3.931208 
1 1 1 -29 -3  9  o 26.282  1.9059  97.682    12.642    91.745    20.701    101.213   15.965    25.460  3.0996  27.104  2.2186  -1.644184      3.811741 
1 1 1 -29 -3  10 o 27.163  1.8989  102.211   13.149    105.845   21.754    100.119   16.505    27.403  3.0135  26.922  2.3112  0.4815598      3.797752 
1 1 1 -29 -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -3  12 o 18.022  2.1065  44.624    9.4777    53.047    16.075    40.136    11.734    19.206  3.2402  16.837  2.6926  2.368336       4.212934 
1 1 1 -29 -3  13 o 36.665  1.9112  184.777   18.202    198.899   29.462    176.058   23.149    37.657  2.9444  35.673  2.4373  1.983463       3.822308 
1 1 1 -29 -3  14 o 13.471  2.4690  25.027    8.6379    33.216    14.934    20.910    10.589    14.960  3.7376  11.982  3.2272  2.978151       4.938048 
1 1 1 -29 -3  15 o 19.543  2.2861  55.240    11.002    54.172    18.522    55.823    13.676    19.169  3.7416  19.917  2.6278  -0.7477055     4.572197 
1 1 1 -29 -3  16 o 21.633  2.1971  65.674    11.877    71.520    20.058    62.517    14.738    22.198  3.4886  21.068  2.6718  1.129902       4.394207 
1 1 1 -29 -3  17 o 19.748  2.3322  54.613    11.419    63.138    19.594    50.229    14.052    20.734  3.6621  18.762  2.8888  1.971302       4.664351 
1 1 1 -29 -3  18 o 46.793  1.9767  305.169   24.178    315.173   38.349    298.568   31.148    47.234  3.0474  46.351  2.5183  0.8824234      3.953354 
1 1 1 -29 -3  19 o 34.103  2.0334  160.146   17.893    180.574   29.561    148.334   22.478    35.633  3.1289  32.573  2.5980  3.059444       4.066888 
1 1 1 -29 -3  20 o 14.358  2.7158  28.031    10.145    41.591    18.188    21.907    12.223    16.524  4.1228  12.193  3.5362  4.331868       5.431601 
1 1 1 -29 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -3  22 o 15.950  2.9175  38.643    12.058    38.911    21.093    38.513    14.696    15.799  4.6636  16.101  3.5070  -0.3020363     5.835083 
1 1 1 -29 -3  23 o 18.676  2.8571  49.582    13.197    64.621    23.442    42.604    15.968    20.468  4.4064  16.885  3.6381  3.583164       5.714150 
1 1 1 -29 -3  24 o 9.3700  2.7189  6.9683    10.168    4.3292    19.258    7.9883    11.972    9.8423  4.1834  8.8977  3.4739  0.9446011      5.437722 
1 1 1 -29 -3  25 o 12.948  3.1687  21.578    12.440    35.105    23.215    16.130    14.734    14.948  4.9647  10.948  3.9388  3.999495       6.337311 
1 1 1 -29 -3  26 o 13.813  2.9912  31.033    12.228    17.956    23.253    36.031    14.376    12.183  4.8154  15.443  3.5498  -3.259502      5.982409 
1 1 1 -29 -3  27 o 29.463  2.7242  131.763   19.000    128.359   34.234    133.278   22.841    28.433  4.6564  30.493  2.8288  -2.060425      5.448341 
1 1 1 -29 -3  28 o 39.070  2.5465  227.231   24.743    232.153   42.730    224.748   30.349    38.664  4.1934  39.476  2.8904  -0.8121948     5.093009 
1 1 1 -29 -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -2  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -2  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -2  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -2  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -2  7  f 13.174  1.7706  22.097    5.9079    40.803    9.9482    11.906    7.3430    17.137  2.2194  9.2118  2.7593  7.925354       3.541138 
1 1 1 -29 -2  8  o 33.143  1.7846  151.105   15.342    156.226   24.680    147.880   19.586    33.489  2.7765  32.797  2.2430  0.6912766      3.569296 
1 1 1 -29 -2  9  o 12.947  1.9817  22.381    6.4758    31.340    11.041    17.682    7.9956    14.796  2.8897  11.098  2.7127  3.697946       3.963441 
1 1 1 -29 -2  10 o 31.122  1.8172  131.278   14.629    147.884   24.037    121.508   18.437    32.567  2.7823  29.677  2.3384  2.890139       3.634420 
1 1 1 -29 -2  11 o 44.642  1.9477  276.414   22.597    279.519   36.224    274.437   28.911    44.667  3.0459  44.616  2.4284  0.5099869E-01  3.895496 
1 1 1 -29 -2  12 o 8.7334  3.2410  8.6601    10.094    0.0000    0.0000    8.6601    10.094    ?       ?       8.7334  3.2410  ?              ?        
1 1 1 -29 -2  13 o 18.916  2.1597  50.311    10.104    53.803    17.222    48.478    12.477    19.256  3.4667  18.577  2.5769  0.6789169      4.319496 
1 1 1 -29 -2  14 o 20.577  2.3455  64.144    11.595    50.772    19.288    71.711    14.510    18.455  4.0162  22.700  2.4239  -4.245861      4.690924 
1 1 1 -29 -2  15 o 29.956  1.9221  120.984   14.899    147.321   24.503    105.535   18.767    32.402  2.8524  27.509  2.5770  4.893450       3.844115 
1 1 1 -29 -2  16 o 40.802  1.8879  228.638   20.174    250.492   32.106    214.381   25.932    42.284  2.8515  39.321  2.4749  2.962860       3.775712 
1 1 1 -29 -2  17 o 33.965  1.9368  159.079   17.093    173.682   27.598    149.992   21.771    35.090  2.9641  32.840  2.4938  2.250813       3.873584 
1 1 1 -29 -2  18 o 43.383  1.9555  260.884   22.138    277.094   35.448    250.519   28.345    44.310  3.0045  42.456  2.5036  1.853710       3.910908 
1 1 1 -29 -2  19 o 29.817  2.1860  128.393   16.302    120.001   27.055    133.178   20.426    28.727  3.5948  30.907  2.4885  -2.179955      4.372074 
1 1 1 -29 -2  20 o 38.233  2.0328  202.565   20.072    221.395   33.055    191.567   25.262    39.425  3.1567  37.040  2.5620  2.384960       4.065545 
1 1 1 -29 -2  21 o 16.892  4.6952  44.722    22.009    0.0000    0.0000    44.722    22.009    ?       ?       16.892  4.6952  ?              ?        
1 1 1 -29 -2  22 o 34.385  2.2372  172.257   19.265    157.611   31.894    180.670   24.172    32.812  3.6932  35.957  2.5258  -3.145523      4.474349 
1 1 1 -29 -2  23 o 12.171  2.8451  13.008    11.007    41.495    20.549    1.5474    13.034    16.297  4.5393  8.0461  3.4313  8.250732       5.690243 
1 1 1 -29 -2  24 o 13.168  3.0293  26.479    12.051    19.524    22.060    29.438    14.387    12.387  4.7479  13.949  3.7636  -1.562016      6.058641 
1 1 1 -29 -2  25 o 20.990  3.0487  72.064    15.452    57.097    27.499    78.970    18.680    18.591  5.2769  23.388  3.0549  -4.797329      6.097383 
1 1 1 -29 -2  26 o 18.570  3.2752  55.122    15.282    54.366    28.321    55.432    18.152    17.959  5.4280  19.181  3.6668  -1.222656      6.550427 
1 1 1 -29 -2  27 o 29.126  2.7142  125.525   19.136    135.383   34.301    121.071   23.058    29.337  4.5095  28.915  3.0218  0.4219780      5.428355 
1 1 1 -29 -2  28 o 13.066  2.9831  28.124    13.645    -0.8738   25.766    39.426    16.086    10.237  4.5790  15.895  3.8247  -5.658735      5.966224 
1 1 1 -29 -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -1  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -1  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -1  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -1  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -1  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -1  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -1  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 -1  9  o 12.366  1.9648  24.241    6.3789    12.687    10.550    30.899    8.0087    9.8099  3.3471  14.921  2.0587  -5.111517      3.929555 
1 1 1 -29 -1  10 f 25.388  1.7614  85.251    11.524    110.401   19.033    70.692    14.481    28.211  2.5463  22.565  2.4345  5.645920       3.522790 
1 1 1 -29 -1  11 o 17.968  1.9679  43.701    8.8635    53.391    15.030    38.534    10.975    19.387  2.9906  16.548  2.5587  2.839714       3.935830 
1 1 1 -29 -1  12 o 35.196  1.8870  169.867   17.269    182.906   27.841    161.714   22.016    36.171  2.8980  34.220  2.4175  1.950935       3.773941 
1 1 1 -29 -1  13 o 41.129  3.6616  242.194   39.915    0.0000    0.0000    242.194   39.915    ?       ?       41.129  3.6616  ?              ?        
1 1 1 -29 -1  14 o 8.1896  2.1622  5.8368    6.1074    12.454    10.871    2.7851    7.3825    9.7719  3.3949  6.6072  2.6785  3.164667       4.324310 
1 1 1 -29 -1  15 o 35.774  1.8979  176.747   17.681    186.681   28.273    170.366   22.659    36.468  2.9189  35.080  2.4265  1.388348       3.795772 
1 1 1 -29 -1  16 o 16.676  2.3688  38.759    9.8601    47.795    16.798    34.010    12.179    18.027  3.6050  15.325  3.0740  2.701987       4.737686 
1 1 1 -29 -1  17 o 9.9475  2.4406  11.407    7.5566    18.993    13.518    7.9590    9.1136    11.571  3.7857  8.3236  3.0814  3.247794       4.881288 
1 1 1 -29 -1  18 o 19.613  2.3452  51.733    11.443    73.350    19.742    40.795    14.043    22.501  3.3801  16.725  3.2519  5.776199       4.690416 
1 1 1 -29 -1  19 o 27.071  2.3267  108.135   15.379    96.236    25.871    114.637   19.124    25.498  3.9131  28.645  2.5181  -3.146698      4.653324 
1 1 1 -29 -1  20 o 38.428  2.1170  207.707   20.829    214.964   34.518    203.551   26.121    38.680  3.3653  38.176  2.5694  0.5042496      4.234041 
1 1 1 -29 -1  21 o 34.236  2.2478  173.607   19.033    146.741   31.327    189.324   23.962    31.604  3.7756  36.869  2.4402  -5.265793      4.495501 
1 1 1 -29 -1  22 o 8.9456  2.6611  1.2372    10.652    11.579    17.661    -4.6767   13.355    10.605  4.1950  7.2863  3.2752  3.318653       5.322141 
1 1 1 -29 -1  23 o 18.182  2.9409  50.219    13.229    51.418    23.746    49.680    15.930    17.981  4.8284  18.384  3.3588  -0.4029999     5.881799 
1 1 1 -29 -1  24 f 28.019  2.4386  106.518   17.101    143.656   30.232    89.045    20.737    31.233  3.6848  24.806  3.1953  6.426600       4.877300 
1 1 1 -29 -1  25 o 12.533  2.7707  24.924    11.441    3.3532    21.218    33.768    13.586    10.058  4.3352  15.008  3.4516  -4.950217      5.541445 
1 1 1 -29 -1  26 o 15.747  3.2578  38.387    13.660    42.192    25.763    36.899    16.112    16.024  5.2256  15.471  3.8917  0.5526400      6.515514 
1 1 1 -29 -1  27 o 10.767  2.9611  14.004    12.472    -1.4364   23.736    19.892    14.658    9.9090  4.4164  11.624  3.9455  -1.715176      5.922127 
1 1 1 -29 -1  28 o 12.520  3.0596  24.790    12.934    9.4109    24.398    30.801    15.253    11.047  4.7024  13.993  3.9156  -2.945694      6.119205 
1 1 1 -29 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   10 o 40.200  2.2997  223.079   23.904    164.338   31.706    300.446   36.387    33.975  3.5359  46.426  2.9413  -12.45079      4.599361 
1 1 1 -29 0   11 o 20.233  2.1253  61.602    10.276    46.853    16.949    70.174    12.921    17.903  3.6582  22.563  2.1646  -4.660133      4.250631 
1 1 1 -29 0   12 o 37.287  1.9190  193.865   18.535    190.379   29.558    196.124   23.794    36.847  3.0215  37.728  2.3666  -0.8807068     3.837969 
1 1 1 -29 0   13 o 3.3236  1.1772  -8.3261   2.8772    -9.6132   6.5842    -8.0223   3.1988    4.1733  2.0071  2.4739  1.2306  1.699353       2.354376 
1 1 1 -29 0   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   15 o 21.182  2.3473  69.207    11.845    49.616    19.327    80.992    14.990    18.204  4.0663  24.159  2.3460  -5.954847      4.694551 
1 1 1 -29 0   16 o 25.787  2.0053  90.747    13.287    107.254   21.906    81.140    16.712    27.516  3.0221  24.058  2.6366  3.457846       4.010572 
1 1 1 -29 0   17 o 12.988  2.5721  25.635    9.1719    20.333    15.943    28.257    11.214    12.051  4.1146  13.924  3.0876  -1.873116      5.144200 
1 1 1 -29 0   18 o 23.273  2.3174  80.210    13.015    71.254    22.156    84.929    16.082    21.891  3.9229  24.656  2.4683  -2.765511      4.634777 
1 1 1 -29 0   19 f 35.345  2.1402  179.216   19.081    169.785   31.672    184.590   23.907    34.274  3.4991  36.417  2.4655  -2.142925      4.280478 
1 1 1 -29 0   20 o 32.540  2.3302  158.877   18.387    130.576   30.805    174.540   22.917    29.672  3.9760  35.408  2.4311  -5.735971      4.660360 
1 1 1 -29 0   21 o 39.733  2.1367  223.859   21.719    225.827   35.835    222.715   27.306    39.558  3.4156  39.908  2.5681  -0.3504944     4.273332 
1 1 1 -29 0   22 f ?       ?       -37.1857  8.5522    -37.1857  8.5522    0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -29 0   23 o 28.030  2.4260  110.215   17.025    128.883   29.538    100.928   20.834    29.490  3.8299  26.569  2.9788  2.920883       4.851946 
1 1 1 -29 0   24 o 15.155  3.0025  28.842    12.547    58.600    22.894    16.068    15.000    19.332  4.5048  10.979  3.9708  8.353349       6.005012 
1 1 1 -29 0   25 o 14.107  3.2144  26.519    12.848    44.604    24.236    19.450    15.152    16.563  5.0246  11.650  4.0103  4.913120       6.428780 
1 1 1 -29 0   26 o 21.148  3.0364  70.953    15.448    66.252    27.815    73.049    18.576    19.958  5.1638  22.338  3.1957  -2.379345      6.072709 
1 1 1 -29 0   27 o 8.8484  2.5999  3.1619    11.198    -25.9320  21.923    13.432    13.026    7.6122  3.6614  10.085  3.6921  -2.472431      5.199779 
1 1 1 -29 0   28 o 27.785  3.0324  122.479   20.066    119.014   35.383    124.121   24.362    26.563  5.1590  29.006  3.1883  -2.443283      6.064713 
1 1 1 -29 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   11 o 9.9602  1.8859  12.482    5.0451    20.811    8.7547    8.3417    6.1732    12.036  2.7727  7.8840  2.5573  4.152421       3.771894 
1 1 1 -29 1   12 o 10.111  2.1128  14.943    6.0509    10.779    10.723    16.888    7.3293    9.3606  3.3609  10.861  2.5611  -1.500404      4.225520 
1 1 1 -29 1   13 o 16.200  2.0713  35.468    8.4358    47.741    14.047    28.544    10.550    18.306  2.9662  14.093  2.8919  4.213149       4.142675 
1 1 1 -29 1   14 o 29.454  3.3872  123.898   26.236    0.0000    0.0000    123.898   26.236    ?       ?       29.454  3.3872  ?              ?        
1 1 1 -29 1   15 o 41.836  1.8645  242.630   20.392    247.497   32.196    239.369   26.350    42.041  2.8765  41.632  2.3729  0.4082947      3.728913 
1 1 1 -29 1   16 o 30.838  2.0657  136.700   16.060    123.709   26.139    144.578   20.355    29.368  3.3849  32.307  2.3687  -2.939056      4.131371 
1 1 1 -29 1   17 o 20.212  2.4120  59.891    11.912    57.750    20.289    61.018    14.715    19.644  3.9922  20.781  2.7079  -1.137676      4.823979 
1 1 1 -29 1   18 o 23.427  2.7689  96.057    14.662    44.960    24.526    124.472   18.290    16.891  5.0391  29.962  2.2965  -13.07094      5.537760 
1 1 1 -29 1   19 o 28.921  2.1847  117.388   15.984    126.601   26.981    112.406   19.841    29.558  3.4743  28.285  2.6498  1.272293       4.369468 
1 1 1 -29 1   20 o 9.0789  2.4508  4.7337    7.9073    18.859    14.989    -0.7136   9.3080    11.601  3.9888  6.5569  2.8487  5.044045       4.901586 
1 1 1 -29 1   21 o 42.011  2.1453  246.947   23.267    267.987   38.339    234.680   29.275    43.150  3.3432  40.872  2.6891  2.278183       4.290513 
1 1 1 -29 1   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 1   23 o 15.052  2.9295  27.885    12.102    58.434    22.219    14.999    14.431    19.398  4.3801  10.707  3.8913  8.690759       5.858990 
1 1 1 -29 1   24 o 29.645  2.5321  125.554   18.641    141.206   32.604    117.953   22.722    30.607  4.0786  28.683  3.0020  1.924381       5.064248 
1 1 1 -29 1   25 o 27.748  2.6305  109.685   18.155    132.074   31.791    98.849    22.116    29.451  4.1448  26.046  3.2403  3.405560       5.261061 
1 1 1 -29 1   26 f 7.4817  2.4926  -13.1387  10.754    -5.2009   21.600    -15.7545  12.400    9.1666  4.1386  5.7968  2.7792  3.369830       4.985181 
1 1 1 -29 1   27 o 20.213  3.2123  66.788    16.083    63.124    28.613    68.480    19.446    19.105  5.3688  21.321  3.5286  -2.215940      6.424531 
1 1 1 -29 1   28 o 27.899  3.2164  134.396   20.631    99.052    35.584    152.292   25.321    23.482  5.7123  32.316  2.9582  -8.833622      6.432771 
1 1 1 -29 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 2   12 o 10.337  2.0792  14.291    5.8397    19.360    9.9352    11.615    7.2183    11.571  3.1299  9.1022  2.7379  2.469238       4.158426 
1 1 1 -29 2   13 o 29.803  1.8758  124.724   14.392    119.102   22.878    128.405   18.514    29.091  2.9781  30.515  2.2816  -1.424755      3.751622 
1 1 1 -29 2   14 o 21.393  2.1509  68.566    11.124    53.038    18.003    78.156    14.148    19.018  3.6671  23.768  2.2490  -4.750116      4.301826 
1 1 1 -29 2   15 o 47.982  2.9063  338.953   35.982    323.435   56.719    349.405   46.547    46.539  4.6108  49.426  3.5394  -2.887344      5.812661 
1 1 1 -29 2   16 o 44.258  1.9523  274.720   22.438    269.668   35.718    278.013   28.839    43.700  3.0711  44.816  2.4114  -1.116299      3.904624 
1 1 1 -29 2   17 o 14.359  2.5613  31.172    9.5544    28.017    16.461    32.775    11.733    13.686  4.1385  15.031  3.0191  -1.345139      5.122695 
1 1 1 -29 2   18 o 24.071  2.1798  79.580    13.250    95.913    22.560    70.980    16.370    25.768  3.3479  22.374  2.7924  3.393320       4.359539 
1 1 1 -29 2   19 o 24.820  2.2702  84.383    14.215    105.787   24.340    73.305    17.511    26.990  3.4454  22.649  2.9571  4.341343       4.540401 
1 1 1 -29 2   20 o 11.848  2.9257  18.154    10.814    25.398    19.216    14.796    13.083    13.174  4.5172  10.522  3.7193  2.651752       5.851340 
1 1 1 -29 2   21 o 13.788  2.8731  22.128    11.619    50.396    20.781    9.2713    14.015    18.023  4.3536  9.5539  3.7504  8.469088       5.746274 
1 1 1 -29 2   22 o 29.182  5.4079  137.925   40.713    137.925   40.713    0.0000    0.0000    29.182  5.4079  ?       ?       ?              ?        
1 1 1 -29 2   23 o 38.254  2.3346  208.846   22.828    221.361   37.973    201.763   28.566    38.792  3.6994  37.715  2.8488  1.077484       4.669220 
1 1 1 -29 2   24 o 27.229  2.6040  104.927   17.770    129.050   30.680    92.749    21.798    29.253  4.0220  25.205  3.3088  4.048128       5.208083 
1 1 1 -29 2   25 o 22.418  3.1370  85.171    16.870    61.194    29.555    96.757    20.545    18.960  5.4987  25.876  3.0211  -6.916348      6.273971 
1 1 1 -29 2   26 f 18.297  3.2805  50.584    15.264    67.320    27.274    42.951    18.419    20.095  5.0680  16.499  4.1668  3.596437       6.561047 
1 1 1 -29 2   27 o 23.673  3.0036  83.515    17.543    106.183   30.683    72.507    21.382    25.634  4.6397  21.712  3.8159  3.921619       6.007297 
1 1 1 -29 2   28 o 8.8951  2.7647  -2.0895   11.384    12.503    21.919    -7.4800   13.322    10.975  4.5499  6.8149  3.1422  4.160374       5.529467 
1 1 1 -29 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 3   12 o 41.123  1.8221  231.766   19.733    250.020   30.772    219.018   25.716    42.410  2.7234  39.837  2.4215  2.572319       3.644234 
1 1 1 -29 3   13 o 29.756  1.8470  124.525   14.144    117.443   22.429    129.200   18.224    28.892  2.9392  30.620  2.2376  -1.727623      3.693983 
1 1 1 -29 3   14 o 35.614  1.9606  184.281   17.602    147.720   27.688    209.080   22.804    32.238  3.2510  38.991  2.1924  -6.753445      3.921140 
1 1 1 -29 3   15 o 43.055  2.7939  269.082   31.163    274.821   49.459    265.304   40.132    43.078  4.3459  43.033  3.5124  0.4521561E-01  5.587792 
1 1 1 -29 3   16 o 25.743  2.1169  90.405    13.889    109.575   23.360    79.923    17.273    27.684  3.2098  23.801  2.7608  3.883375       4.233781 
1 1 1 -29 3   17 o 24.462  2.1805  82.557    13.500    97.349    22.825    74.599    16.742    25.966  3.3607  22.957  2.7793  3.008850       4.361053 
1 1 1 -29 3   18 o 29.666  2.1212  118.749   16.110    153.063   27.214    100.239   19.988    32.738  3.1421  26.595  2.8504  6.142740       4.242335 
1 1 1 -29 3   19 o 23.457  2.7731  91.055    14.996    57.959    25.455    108.648   18.559    19.068  4.9429  27.846  2.5155  -8.777311      5.546188 
1 1 1 -29 3   20 o 18.167  2.8356  49.536    12.795    52.029    22.348    48.320    15.606    18.202  4.5860  18.132  3.3363  0.7013321E-01  5.671120 
1 1 1 -29 3   21 o 21.330  2.6818  65.686    14.121    76.463    24.410    60.265    17.313    22.362  4.2303  20.299  3.2974  2.062956       5.363622 
1 1 1 -29 3   22 o 21.313  4.7962  72.175    26.719    72.175    26.719    0.0000    0.0000    21.313  4.7962  ?       ?       ?              ?        
1 1 1 -29 3   23 o 8.7860  2.5643  5.1373    9.8664    -8.7444   18.712    10.482    11.612    8.2482  3.7738  9.3237  3.4729  -1.075509      5.128582 
1 1 1 -29 3   24 o 18.113  3.0582  43.599    14.456    83.365    26.031    25.865    17.384    23.163  4.3555  13.063  4.2940  10.10031       6.116313 
1 1 1 -29 3   25 o 13.891  3.0690  31.824    13.610    12.417    24.388    40.601    16.401    11.546  4.7940  16.235  3.8331  -4.688869      6.138004 
1 1 1 -29 3   26 o 12.810  3.1061  25.530    12.803    18.112    22.847    28.926    15.458    12.013  4.7653  13.607  3.9854  -1.593875      6.212181 
1 1 1 -29 3   27 o 9.5455  2.7368  7.3781    11.797    -12.3223  20.916    16.568    14.286    8.2904  3.8617  10.801  3.8792  -2.510286      5.473672 
1 1 1 -29 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 4   12 o 9.2636  1.9731  11.387    5.0483    14.497    8.8715    9.8981    6.1392    10.111  3.0339  8.4162  2.5235  1.694739       3.946181 
1 1 1 -29 4   13 o 27.284  1.8625  105.323   12.941    98.072    20.811    109.896   16.525    26.336  3.0039  28.231  2.2028  -1.895580      3.725070 
1 1 1 -29 4   14 o 28.984  1.9154  118.409   14.197    114.239   22.925    121.003   18.082    28.391  3.0632  29.578  2.3004  -1.186918      3.830791 
1 1 1 -29 4   15 o 29.922  2.3974  129.905   18.590    145.066   25.568    112.902   27.077    32.017  3.0170  27.826  3.7266  4.191736       4.794762 
1 1 1 -29 4   16 o 9.9485  2.5164  12.794    8.2508    10.072    14.580    14.076    10.007    9.8574  3.8377  10.040  3.2559  -0.1821671     5.032791 
1 1 1 -29 4   17 o 22.239  2.2766  67.248    12.703    88.376    21.779    56.355    15.638    24.690  3.3822  19.788  3.0484  4.902010       4.553234 
1 1 1 -29 4   18 o 37.110  2.1148  193.661   20.226    203.544   33.077    187.759   25.562    37.623  3.3163  36.597  2.6252  1.026062       4.229613 
1 1 1 -29 4   19 f 34.890  2.1481  169.308   19.362    192.775   31.859    155.565   24.381    36.592  3.2856  33.187  2.7680  3.404297       4.296190 
1 1 1 -29 4   20 o 30.113  2.4533  136.461   18.064    117.144   29.943    147.514   22.650    27.856  4.1389  32.369  2.6353  -4.512543      4.906617 
1 1 1 -29 4   21 o 9.9217  2.8100  9.8867    10.622    2.9593    21.192    12.211    12.276    10.028  4.3275  9.8151  3.5857  0.2131996      5.620036 
1 1 1 -29 4   22 o 17.630  3.0814  45.620    13.919    60.682    24.044    38.029    17.069    19.553  4.6575  15.707  4.0357  3.846317       6.162733 
1 1 1 -29 4   23 o 13.638  3.0719  22.511    12.434    47.501    22.617    11.685    14.886    17.183  4.7537  10.094  3.8921  7.089607       6.143796 
1 1 1 -29 4   24 o 42.656  2.3889  265.944   26.095    264.411   42.600    266.864   33.015    42.067  3.8225  43.246  2.8664  -1.179581      4.777871 
1 1 1 -29 4   25 o 17.163  3.1419  49.201    14.269    39.597    25.300    53.681    17.280    15.470  5.1838  18.857  3.5517  -3.386623      6.283767 
1 1 1 -29 4   26 o 28.151  2.6747  113.684   18.957    149.546   32.534    95.250    23.325    31.163  3.9893  25.139  3.5638  6.023674       5.349334 
1 1 1 -29 4   27 o 10.499  3.0044  12.519    12.429    7.7852    23.594    14.337    14.622    10.648  4.5807  10.350  3.8889  0.2980490      6.008862 
1 1 1 -29 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   12 o 8.8033  2.0296  8.8362    5.3617    16.107    9.4286    5.3613    6.5183    10.604  3.1145  7.0025  2.6033  3.601564       4.059215 
1 1 1 -29 5   13 o 15.261  2.0954  33.805    7.8149    32.531    13.550    34.441    9.5661    14.863  3.4673  15.658  2.3537  -0.7949800     4.190701 
1 1 1 -29 5   14 o 50.236  1.9136  349.365   25.289    367.992   39.597    336.533   32.865    51.214  2.8985  49.258  2.4992  1.955772       3.827129 
1 1 1 -29 5   15 o 10.010  2.5004  12.588    7.8849    14.686    14.217    11.655    9.4759    10.689  3.8658  9.3311  3.1722  1.357607       5.000724 
1 1 1 -29 5   16 o 8.0716  2.2463  5.7237    7.3472    -3.9377   13.269    9.9960    8.8234    7.3671  3.2914  8.7760  3.0580  -1.408866      4.492681 
1 1 1 -29 5   17 o 14.905  2.7031  31.330    10.408    42.152    18.104    25.988    12.720    16.609  4.0953  13.201  3.5293  3.407736       5.406268 
1 1 1 -29 5   18 o 32.839  2.1675  153.566   18.209    156.100   29.789    152.055   23.007    32.791  3.4431  32.888  2.6339  -0.9706879E-01 4.335026 
1 1 1 -29 5   19 o 18.311  2.7246  51.425    12.456    47.677    20.953    53.474    15.490    17.443  4.4657  19.179  3.1228  -1.735580      5.449222 
1 1 1 -29 5   20 o 8.8730  2.5724  5.7558    9.1452    6.8423    16.539    5.2773    10.976    9.6228  3.9675  8.1233  3.2754  1.499454       5.144805 
1 1 1 -29 5   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 5   22 o 22.253  2.8443  76.328    15.475    71.848    26.227    78.720    19.168    21.232  4.7326  23.273  3.1563  -2.041195      5.688542 
1 1 1 -29 5   23 o 29.633  2.5055  124.604   18.799    149.958   32.012    111.259   23.225    31.609  3.8614  27.657  3.1939  3.951609       5.011097 
1 1 1 -29 5   24 o 34.872  2.4785  177.493   21.962    188.550   36.637    171.292   27.438    35.286  3.9439  34.459  3.0028  0.8270798      4.956934 
1 1 1 -29 5   25 o 20.336  3.1016  62.427    15.504    77.824    27.780    55.462    18.684    21.701  4.8957  18.970  3.8095  2.731230       6.203271 
1 1 1 -29 5   26 o 30.476  2.6711  139.546   20.352    151.040   34.587    133.458   25.171    30.884  4.2975  30.068  3.1734  0.8168221      5.342204 
1 1 1 -29 5   27 o 21.120  3.0997  65.758    15.929    97.790    29.477    52.545    18.932    24.152  4.7258  18.088  4.0125  6.063948       6.199450 
1 1 1 -29 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   12 o 20.124  1.9680  56.836    9.9076    58.981    16.565    55.641    12.363    20.274  3.1530  19.975  2.3560  0.2987900      3.936026 
1 1 1 -29 6   13 o 43.776  1.8614  263.659   21.339    284.555   33.979    250.049   27.421    45.064  2.8294  42.488  2.4195  2.575905       3.722849 
1 1 1 -29 6   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   15 o 34.615  2.0319  165.944   18.175    183.465   29.819    155.588   22.925    35.882  3.1341  33.349  2.5868  2.532761       4.063723 
1 1 1 -29 6   16 o 19.364  2.6134  59.494    12.269    44.169    20.713    67.777    15.228    16.837  4.5047  21.892  2.6509  -5.055965      5.226771 
1 1 1 -29 6   17 o 28.919  2.1769  118.159   16.127    126.947   26.420    112.940   20.360    29.570  3.3975  28.268  2.7226  1.301634       4.353810 
1 1 1 -29 6   18 o 27.499  2.3982  113.145   16.227    98.807    26.634    121.610   20.464    25.627  4.0117  29.371  2.6291  -3.743767      4.796480 
1 1 1 -29 6   19 o 12.032  2.8051  21.422    10.264    17.612    18.170    23.208    12.438    11.615  4.3408  12.450  3.5543  -0.8353386     5.610267 
1 1 1 -29 6   20 o 12.110  2.8900  21.234    10.656    20.520    19.167    21.554    12.821    12.197  4.4767  12.023  3.6561  0.1738701      5.779946 
1 1 1 -29 6   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 6   22 o 16.132  3.0979  42.358    13.554    34.879    23.470    46.101    16.603    14.816  4.9926  17.447  3.6691  -2.631523      6.195865 
1 1 1 -29 6   23 o 7.8639  2.4034  -10.2274  8.7431    15.023    17.270    -18.9290  10.138    10.965  4.2014  4.7624  2.3351  6.202960       4.806723 
1 1 1 -29 6   24 o 22.281  3.0688  81.281    16.632    69.075    28.481    87.598    20.488    20.166  5.2290  24.396  3.2137  -4.230013      6.137645 
1 1 1 -29 6   25 o 22.854  2.9484  77.351    16.564    99.993    29.270    66.685    20.090    24.881  4.5601  20.827  3.7386  4.053484       5.896754 
1 1 1 -29 6   26 o 27.457  2.9332  118.694   19.637    121.326   33.766    117.349   24.139    26.912  4.8634  28.002  3.2807  -1.089651      5.866459 
1 1 1 -29 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   11 o 18.774  3.4287  51.364    16.606    0.0000    0.0000    51.364    16.606    ?       ?       18.774  3.4287  ?              ?        
1 1 1 -29 7   12 o 20.508  2.0923  58.122    10.770    67.183    18.222    53.257    13.351    21.592  3.2517  19.425  2.6340  2.166830       4.184658 
1 1 1 -29 7   13 o 17.420  2.3796  41.094    10.250    57.009    18.022    33.483    12.463    19.703  3.5453  15.137  3.1751  4.565804       4.759278 
1 1 1 -29 7   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 7   15 o 23.933  2.4414  87.497    14.019    70.546    23.257    97.171    17.569    21.547  4.1804  26.318  2.5233  -4.770969      4.882897 
1 1 1 -29 7   16 o 13.150  2.4222  28.844    9.5110    7.7562    16.720    38.931    11.564    9.8220  4.0123  16.478  2.7147  -6.656080      4.844340 
1 1 1 -29 7   17 o 30.217  2.3135  136.492   17.246    115.852   28.176    148.857   21.809    27.862  3.8809  32.572  2.5194  -4.710468      4.626980 
1 1 1 -29 7   18 o 5.4145  1.7762  -7.4359   6.3069    -29.0682  13.023    -0.8077   7.2086    5.0901  2.5237  5.7389  2.5000  -0.6488314     3.552371 
1 1 1 -29 7   19 o 10.694  2.6296  12.172    8.8292    26.552    16.336    6.2378    10.494    13.204  4.1467  8.1834  3.2348  5.020564       5.259145 
1 1 1 -29 7   20 o 21.073  2.8297  71.527    14.548    55.324    24.248    80.640    18.184    18.476  4.8413  23.669  2.9309  -5.192511      5.659401 
1 1 1 -29 7   21 o 6.8778  2.2443  -6.4544   8.7779    -11.3848  16.716    -4.5771   10.315    7.4676  3.4698  6.2879  2.8475  1.179742       4.488570 
1 1 1 -29 7   22 o 29.520  2.4421  123.790   18.386    149.510   30.809    109.563   22.913    31.628  3.7071  27.411  3.1799  4.216623       4.884145 
1 1 1 -29 7   23 o 18.543  3.0601  48.737    14.374    78.408    25.653    35.159    17.354    22.187  4.4712  14.900  4.1791  7.287194       6.120199 
1 1 1 -29 7   24 o 12.213  3.1152  21.960    12.441    20.425    23.021    22.593    14.786    12.282  4.8110  12.145  3.9586  0.1375484      6.230317 
1 1 1 -29 7   25 o 9.9892  2.9036  5.4449    11.690    21.971    21.625    -1.3788   13.896    12.282  4.7024  7.6967  3.4074  4.584896       5.807143 
1 1 1 -29 7   26 o 39.219  2.4754  225.938   24.902    270.584   41.955    201.654   30.942    41.694  3.7985  36.744  3.1752  4.950638       4.950775 
1 1 1 -29 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   11 o 48.453  2.8231  351.272   35.134    294.826   53.306    394.626   46.717    44.297  4.5578  52.610  3.3325  -8.312634      5.646182 
1 1 1 -29 8   12 o 10.508  2.4273  16.015    7.9369    8.1440    14.557    19.345    9.4681    9.5048  3.7931  11.510  3.0297  -2.005522      4.854587 
1 1 1 -29 8   13 o 52.779  2.0616  388.094   28.594    421.649   45.160    365.639   36.942    54.481  3.1075  51.076  2.7100  3.405643       4.123212 
1 1 1 -29 8   14 o 21.214  2.3256  64.401    12.213    69.298    20.825    61.833    15.077    21.591  3.7363  20.838  2.7701  0.7533569      4.651170 
1 1 1 -29 8   15 o 21.995  2.2945  66.806    12.667    84.773    21.609    57.400    15.634    24.056  3.4526  19.933  3.0231  4.122309       4.589099 
1 1 1 -29 8   16 f 20.948  2.5223  66.075    12.915    61.563    21.759    68.529    16.048    19.997  4.1962  21.899  2.8001  -1.901596      5.044641 
1 1 1 -29 8   17 o 11.922  2.5881  21.611    8.9164    16.571    16.006    23.879    10.737    11.165  4.0920  12.679  3.1700  -1.513841      5.176258 
1 1 1 -29 8   18 o 14.475  2.6881  35.019    11.062    17.303    19.279    43.715    13.507    11.648  4.4446  17.303  3.0247  -5.654951      5.376177 
1 1 1 -29 8   19 o 8.6043  2.4678  5.7968    9.0669    -6.8991   16.869    10.955    10.752    7.9462  3.6152  9.2624  3.3600  -1.316115      4.935562 
1 1 1 -29 8   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 8   21 o 12.697  2.9032  25.487    11.760    12.052    20.944    31.674    14.212    11.017  4.4943  14.378  3.6762  -3.360844      5.806333 
1 1 1 -29 8   22 o 11.046  2.6952  16.737    11.469    -10.2966  20.975    28.268    13.699    8.5399  3.9393  13.551  3.6794  -5.011388      5.390398 
1 1 1 -29 8   23 o 10.558  2.9500  13.200    12.204    4.0222    22.311    17.118    14.578    10.143  4.4084  10.974  3.9211  -0.8313475     5.899946 
1 1 1 -29 8   24 o 17.828  3.1626  57.301    15.239    36.154    27.392    66.779    18.339    14.619  5.3539  21.038  3.3680  -6.419281      6.325136 
1 1 1 -29 8   25 o 16.707  3.0473  52.584    15.270    20.077    26.868    68.093    18.558    12.293  5.0612  21.121  3.3955  -8.828752      6.094634 
1 1 1 -29 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   11 f 39.977  2.0392  229.735   20.912    206.168   33.125    245.352   26.965    37.925  3.2936  42.029  2.4053  -4.103783      4.078416 
1 1 1 -29 9   12 o 39.395  2.1242  223.897   21.423    204.927   34.229    236.113   27.468    37.656  3.4314  41.135  2.5049  -3.478947      4.248418 
1 1 1 -29 9   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 9   14 o 11.731  2.5157  21.611    9.4198    4.6547    17.118    28.976    11.282    9.4343  3.9735  14.028  3.0863  -4.593723      5.031337 
1 1 1 -29 9   15 o 12.041  2.6875  22.178    9.7366    14.457    17.405    25.695    11.747    10.969  4.2141  13.113  3.3363  -2.144079      5.374952 
1 1 1 -29 9   16 o 31.137  2.2591  142.303   17.703    132.381   28.924    148.246   22.385    29.864  3.6948  32.411  2.6005  -2.547060      4.518212 
1 1 1 -29 9   17 o 12.455  2.7897  21.270    9.8471    30.699    17.781    17.099    11.826    14.046  4.3123  10.864  3.5403  3.182425       5.579402 
1 1 1 -29 9   18 o 20.155  2.7558  64.627    13.467    53.680    23.142    70.232    16.559    18.230  4.7069  22.080  2.8677  -3.850590      5.511692 
1 1 1 -29 9   19 o 15.053  2.9489  36.407    12.046    30.600    21.309    39.134    14.604    13.998  4.7571  16.107  3.4863  -2.108577      5.897768 
1 1 1 -29 9   20 o 23.075  2.6644  76.968    15.232    93.628    26.393    68.647    18.652    24.621  4.1498  21.529  3.3430  3.091507       5.328778 
1 1 1 -29 9   21 o 17.349  3.0081  53.207    14.443    27.476    24.898    66.257    17.731    13.527  5.0762  21.172  3.2290  -7.644514      6.016185 
1 1 1 -29 9   22 o 22.424  2.9127  75.628    15.991    89.246    28.163    69.148    19.427    23.447  4.6487  21.402  3.5108  2.044992       5.825422 
1 1 1 -29 9   23 o 27.948  2.7731  121.418   18.876    118.909   32.282    122.721   23.268    26.998  4.6310  28.899  3.0521  -1.901340      5.546260 
1 1 1 -29 9   24 o 8.9562  2.7578  1.6564    10.725    10.583    21.781    -1.2006   12.322    10.643  4.4823  7.2699  3.2141  3.372783       5.515547 
1 1 1 -29 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  10 o 29.883  2.2627  127.423   17.658    107.198   24.063    151.023   25.993    27.196  3.3761  32.571  3.0136  -5.375875      4.525465 
1 1 1 -29 10  11 o 10.790  2.4052  17.481    8.1588    6.8085    14.542    22.384    9.8563    9.2354  3.7537  12.345  3.0083  -3.109652      4.810411 
1 1 1 -29 10  12 o 8.4779  2.9641  9.3364    8.2932    0.0000    0.0000    9.3364    8.2932    ?       ?       8.4779  2.9641  ?              ?        
1 1 1 -29 10  13 o 29.544  2.2542  127.128   16.784    121.914   27.530    130.212   21.174    28.714  3.6629  30.373  2.6286  -1.658993      4.508470 
1 1 1 -29 10  14 o 9.2876  2.4357  10.806    8.0415    0.9022    15.828    14.252    9.3361    8.6117  3.7280  9.9635  3.1357  -1.351822      4.871441 
1 1 1 -29 10  15 o 7.3078  2.2093  -4.0525   6.4689    11.545    14.415    -7.9857   7.2387    9.9770  3.8347  4.6385  2.1953  5.338443       4.418563 
1 1 1 -29 10  16 o 15.580  2.7722  38.641    11.143    32.788    19.966    41.290    13.429    14.416  4.5910  16.745  3.1087  -2.329469      5.544458 
1 1 1 -29 10  17 o 21.709  2.6755  71.636    14.050    70.237    24.449    72.326    17.168    21.060  4.4723  22.358  2.9380  -1.297810      5.351011 
1 1 1 -29 10  18 o 19.338  2.7255  53.262    12.988    71.612    23.013    44.686    15.733    21.477  4.1506  17.198  3.5334  4.278889       5.450944 
1 1 1 -29 10  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 10  20 o 13.427  3.0661  25.243    11.607    38.002    21.911    20.267    13.685    15.220  4.8055  11.634  3.8092  3.586716       6.132127 
1 1 1 -29 10  21 o 23.204  2.8987  81.562    16.301    92.238    29.066    76.663    19.689    23.751  4.7350  22.658  3.3450  1.093267       5.797353 
1 1 1 -29 10  22 o 28.642  2.6072  120.039   18.683    144.171   32.394    108.012   22.870    30.332  4.0916  26.952  3.2324  3.380241       5.214370 
1 1 1 -29 10  23 o 13.670  3.0976  32.181    13.272    18.798    24.248    37.905    15.858    11.944  4.8500  15.395  3.8545  -3.450962      6.195130 
1 1 1 -29 10  24 o 22.037  3.1604  79.958    16.892    86.128    30.230    77.157    20.369    21.797  5.2421  22.277  3.5315  -0.4804897     6.320714 
1 1 1 -29 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 11  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 11  9  f 38.727  2.6090  218.599   26.222    226.161   41.428    213.545   33.870    38.973  4.0267  38.482  3.3185  0.4910545      5.217924 
1 1 1 -29 11  10 o 21.470  2.2091  64.517    12.049    77.852    19.782    56.651    15.193    23.115  3.2878  19.824  2.9514  3.291443       4.418142 
1 1 1 -29 11  11 o 31.323  2.0960  137.564   17.072    155.159   27.338    126.316   21.859    32.818  3.1487  29.829  2.7674  2.989317       4.191981 
1 1 1 -29 11  12 o 10.732  2.6437  15.915    8.8589    14.188    16.543    16.609    10.490    10.786  4.1169  10.677  3.3179  0.1088810      5.287473 
1 1 1 -29 11  13 o 32.508  2.2248  150.140   18.504    163.870   30.726    142.327   23.179    33.391  3.4869  31.626  2.7641  1.765078       4.449576 
1 1 1 -29 11  14 o 46.077  2.2096  302.360   26.446    324.589   42.851    288.683   33.611    47.108  3.4194  45.046  2.7996  2.062443       4.419249 
1 1 1 -29 11  15 o 22.343  2.5147  70.777    13.911    88.294    24.296    62.234    16.967    24.101  3.8967  20.584  3.1798  3.516508       5.029461 
1 1 1 -29 11  16 o 18.026  2.8374  51.914    12.650    45.678    22.492    54.798    15.299    16.706  4.7830  19.345  3.0539  -2.639008      5.674758 
1 1 1 -29 11  17 o 25.476  2.4126  89.368    15.404    123.366   26.779    72.556    18.831    28.782  3.5488  22.170  3.2692  6.611862       4.825125 
1 1 1 -29 11  18 o 35.889  4.7757  206.157   44.767    0.0000    0.0000    206.157   44.767    ?       ?       35.889  4.7757  ?              ?        
1 1 1 -29 11  19 o 19.840  3.0371  61.378    14.711    65.812    26.550    59.414    17.672    19.805  5.0033  19.876  3.4442  -0.7104874E-01 6.074161 
1 1 1 -29 11  20 f 25.104  2.8657  97.153    17.293    100.674   30.644    95.508    20.946    24.749  4.7958  25.458  3.1383  -0.7086430     5.731371 
1 1 1 -29 11  21 o 18.302  3.0991  49.633    14.025    71.216    26.014    40.789    16.653    20.577  4.8067  16.027  3.9133  4.549788       6.198247 
1 1 1 -29 11  22 o 15.599  3.2700  40.030    13.778    44.946    25.597    38.024    16.349    15.846  5.2108  15.352  3.9523  0.4930182      6.540053 
1 1 1 -29 11  23 f 25.039  2.8620  91.014    17.448    135.354   32.101    72.424    20.786    28.708  4.3078  21.370  3.7691  7.337597       5.723914 
1 1 1 -29 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 12  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 12  8  o 58.334  2.8560  498.051   43.895    582.936   68.212    438.056   57.346    62.412  4.1033  54.256  3.9738  8.156258       5.712066 
1 1 1 -29 12  9  o 37.643  1.9983  203.871   19.520    186.348   30.146    216.525   25.616    35.956  3.1623  39.329  2.4438  -3.373695      3.996519 
1 1 1 -29 12  10 o 21.961  2.3549  70.659    12.955    71.710    21.220    70.034    16.358    21.830  3.7651  22.092  2.8295  -0.2614193     4.709749 
1 1 1 -29 12  11 f 12.679  4.1530  24.257    16.266    24.257    16.266    0.0000    0.0000    12.679  4.1530  ?       ?       ?              ?        
1 1 1 -29 12  12 o 17.973  2.7682  52.141    12.313    42.021    21.627    56.995    14.978    16.114  4.7126  19.833  2.9058  -3.718874      5.536428 
1 1 1 -29 12  13 o 49.982  2.2416  357.021   29.238    386.479   46.944    338.352   37.371    51.322  3.4348  48.642  2.8813  2.680332       4.483271 
1 1 1 -29 12  14 o 30.981  2.3321  137.835   18.269    151.720   30.970    130.424   22.625    31.817  3.7034  30.146  2.8354  1.670517       4.664170 
1 1 1 -29 12  15 o 10.290  2.7521  10.855    9.2990    21.368    18.544    7.3240    10.748    12.161  4.4125  8.4190  3.2902  3.741578       5.504137 
1 1 1 -29 12  16 o 13.427  2.9926  26.340    10.984    32.976    21.443    23.980    12.789    14.327  4.7720  12.528  3.6124  1.799388       5.985127 
1 1 1 -29 12  17 o 33.129  2.5070  163.104   20.462    164.830   35.506    162.246   25.037    32.642  4.1551  33.615  2.8064  -0.9731064     5.014086 
1 1 1 -29 12  18 o 13.412  3.1420  25.871    11.981    36.045    23.293    22.211    13.970    14.770  4.9738  12.054  3.8405  2.715695       6.283967 
1 1 1 -29 12  19 o 32.128  2.5227  148.875   20.343    179.208   35.551    134.107   24.805    34.051  3.9727  30.206  3.1104  3.845036       5.045480 
1 1 1 -29 12  20 o 15.890  2.8651  47.996    14.457    5.7675    26.821    65.289    17.163    10.875  4.7775  20.906  3.1641  -10.03055      5.730274 
1 1 1 -29 12  21 o 12.568  3.1261  17.681    12.099    45.595    24.198    8.3756    13.971    16.026  5.0490  9.1101  3.6877  6.916034       6.252293 
1 1 1 -29 12  22 o 24.279  2.9975  88.817    17.439    120.863   32.712    76.093    20.613    26.531  4.7790  22.026  3.6197  4.505213       5.995041 
1 1 1 -29 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 13  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 13  7  o 23.320  3.3033  94.279    19.486    55.015    30.835    120.386   25.144    17.935  5.7047  28.704  3.3324  -10.76841      6.606692 
1 1 1 -29 13  8  o 25.117  2.0168  88.790    13.101    99.821    20.937    81.690    16.796    26.283  3.0294  23.951  2.6633  2.331640       4.033681 
1 1 1 -29 13  9  o 19.528  2.4740  57.070    11.983    56.700    19.915    57.280    15.002    19.169  4.0078  19.886  2.9019  -0.7176495     4.948072 
1 1 1 -29 13  10 o 48.981  5.3783  395.333   69.399    395.333   69.399    0.0000    0.0000    48.981  5.3783  ?       ?       ?              ?        
1 1 1 -29 13  11 o 31.066  2.3668  143.351   18.519    135.633   30.206    147.998   23.442    29.939  3.8565  32.193  2.7448  -2.254164      4.733552 
1 1 1 -29 13  12 o 8.7121  2.5121  6.6851    8.6536    1.7725    16.935    8.4212    10.067    8.9069  3.8560  8.5173  3.2210  0.3896685      5.024284 
1 1 1 -29 13  13 o 17.785  2.9013  49.615    12.826    49.614    22.909    49.615    15.480    17.338  4.7792  18.233  3.2908  -0.8954945     5.802608 
1 1 1 -29 13  14 o 13.268  2.9185  22.957    10.740    41.665    20.405    15.789    12.631    15.996  4.5474  10.541  3.6595  5.454566       5.837055 
1 1 1 -29 13  15 o 21.276  2.9938  75.575    15.165    59.971    27.198    82.615    18.269    18.706  5.2265  23.845  2.9215  -5.138561      5.987610 
1 1 1 -29 13  16 o 10.555  2.7437  15.442    10.423    -0.1620   21.064    20.501    11.994    9.4799  4.1961  11.630  3.5361  -2.150058      5.487422 
1 1 1 -29 13  17 o 8.2447  3.8518  -13.3815  21.053    -13.3815  21.053    0.0000    0.0000    8.2447  3.8518  ?       ?       ?              ?        
1 1 1 -29 13  18 o 33.489  2.8017  177.345   22.368    160.643   38.921    185.582   27.332    31.228  4.8073  35.750  2.8787  -4.521782      5.603300 
1 1 1 -29 13  19 o 12.200  3.1407  22.652    12.540    19.362    24.825    23.779    14.530    12.108  4.9106  12.291  3.9168  -0.1829977     6.281322 
1 1 1 -29 13  20 o 11.042  3.0513  14.264    11.468    25.103    23.536    10.890    13.133    12.675  4.8921  9.4092  3.6481  3.265464       6.102573 
1 1 1 -29 13  21 o 19.806  3.2819  67.393    15.933    69.317    29.817    66.624    18.850    18.990  5.5274  20.622  3.5400  -1.632137      6.563851 
1 1 1 -29 14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 14  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 14  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 14  6  o 16.716  2.3687  42.329    9.9209    39.456    16.235    44.041    12.533    15.990  3.8391  17.442  2.7757  -1.451862      4.737444 
1 1 1 -29 14  7  o 11.838  2.3973  22.690    8.6685    7.8744    15.297    29.697    10.521    9.4549  3.8472  14.220  2.8613  -4.765165      4.794587 
1 1 1 -29 14  8  f 31.216  2.1498  142.458   17.175    135.241   27.350    147.157   22.070    30.227  3.4393  32.206  2.5801  -1.979120      4.299528 
1 1 1 -29 14  9  o 34.927  5.7060  208.530   51.536    208.530   51.536    0.0000    0.0000    34.927  5.7060  ?       ?       ?              ?        
1 1 1 -29 14  10 o 31.053  2.4106  145.932   18.633    129.990   30.342    155.584   23.609    29.102  3.9981  33.003  2.6942  -3.901175      4.821191 
1 1 1 -29 14  11 o 9.2961  2.5854  9.3010    9.5778    -3.1257   18.211    14.053    11.261    8.5914  3.8459  10.001  3.4563  -1.409407      5.170771 
1 1 1 -29 14  12 o 16.416  2.8873  37.001    12.026    62.465    22.225    26.459    14.301    19.783  4.3157  13.048  3.8366  6.734768       5.774525 
1 1 1 -29 14  13 f 14.227  3.0790  31.402    11.942    34.354    22.920    30.302    13.991    14.481  4.9336  13.974  3.6852  0.5063877      6.158033 
1 1 1 -29 14  14 o 10.471  2.8696  8.0010    10.368    27.641    21.041    1.7040    11.914    13.291  4.7148  7.6522  3.2724  5.638482       5.739169 
1 1 1 -29 14  15 o 11.647  2.9882  19.676    11.339    15.725    22.459    21.028    13.137    11.552  4.6756  11.742  3.7224  -0.1905384     5.976419 
1 1 1 -29 14  16 f 22.741  6.3640  99.762    40.292    99.762    40.292    0.0000    0.0000    22.741  6.3640  ?       ?       ?              ?        
1 1 1 -29 14  17 o 18.973  3.3305  56.682    15.541    71.511    29.533    51.004    18.276    19.999  5.3908  17.946  3.9124  2.053644       6.660903 
1 1 1 -29 14  18 o 15.101  3.3822  36.272    13.996    47.250    27.432    32.409    16.273    16.095  5.3978  14.107  4.0770  1.988518       6.764478 
1 1 1 -29 14  19 o 10.394  3.0149  4.5770    11.517    31.402    24.987    -2.6598   12.978    13.567  5.0865  7.2200  3.2383  6.347236       6.029787 
1 1 1 -29 14  20 o 20.198  3.3279  78.676    17.201    54.593    31.890    88.558    20.428    16.362  5.8043  24.035  3.2571  -7.672441      6.655734 
1 1 1 -29 15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 15  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 15  4  o 21.269  3.9203  69.692    21.511    0.0000    0.0000    69.692    21.511    ?       ?       21.269  3.9203  ?              ?        
1 1 1 -29 15  5  o 13.800  2.5666  26.145    9.2930    41.564    16.437    18.901    11.267    16.367  3.8192  11.232  3.4300  5.134762       5.133286 
1 1 1 -29 15  6  o 16.803  2.5579  47.182    10.772    30.973    18.522    55.466    13.241    13.941  4.4200  19.665  2.5758  -5.724126      5.115768 
1 1 1 -29 15  7  o 31.460  2.1198  140.105   17.294    162.626   28.021    126.249   21.979    33.312  3.1791  29.609  2.8048  3.703133       4.239526 
1 1 1 -29 15  8  o 12.995  2.7619  27.441    10.512    18.058    18.870    31.663    12.658    11.553  4.3999  14.438  3.3397  -2.885448      5.523823 
1 1 1 -29 15  9  o 14.001  2.8670  25.109    11.173    50.869    20.520    14.253    13.321    17.753  4.3494  10.249  3.7366  7.504497       5.734067 
1 1 1 -29 15  10 o 11.467  2.2620  18.720    10.662    -29.7323  19.825    38.439    12.647    6.8594  3.3421  16.074  3.0491  -9.214643      4.524012 
1 1 1 -29 15  11 o 13.045  3.0387  26.928    11.866    23.201    22.272    28.405    14.021    12.603  4.7849  13.488  3.7470  -0.8853168     6.077404 
1 1 1 -29 15  12 o 17.918  3.0376  47.127    13.452    66.602    24.957    39.152    15.970    20.036  4.7269  15.801  3.8164  4.234664       6.075259 
1 1 1 -29 15  13 o 23.411  3.0430  88.451    16.830    83.760    30.418    90.521    20.204    22.053  5.2290  24.770  3.1142  -2.716486      6.086060 
1 1 1 -29 15  14 o 24.300  2.7789  81.635    16.396    126.643   30.379    63.133    19.477    28.399  4.1134  20.200  3.7374  8.199150       5.557748 
1 1 1 -29 15  15 o 41.723  6.1666  320.642   66.838    320.642   66.838    0.0000    0.0000    41.723  6.1666  ?       ?       ?              ?        
1 1 1 -29 15  16 o 15.384  3.3884  35.434    13.895    55.388    27.797    28.787    16.044    17.426  5.3987  13.342  4.0963  4.083926       6.776861 
1 1 1 -29 15  17 o 23.127  3.1783  82.889    17.490    105.988   33.001    73.867    20.625    24.507  5.1889  21.746  3.6716  2.761095       6.356566 
1 1 1 -29 15  18 f 27.476  3.2844  128.917   20.814    123.060   38.236    131.383   24.813    25.485  5.7395  29.467  3.1950  -3.981865      6.568862 
1 1 1 -29 15  19 o 14.802  3.3854  40.626    14.944    33.855    30.082    42.844    17.218    13.612  5.4458  15.991  4.0234  -2.378641      6.770807 
1 1 1 -29 16  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 16  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 16  3  o 9.6023  2.3224  13.314    7.2162    7.1425    13.150    15.974    8.6322    8.8414  3.5780  10.363  2.9618  -1.521741      4.644825 
1 1 1 -29 16  4  o 7.3691  2.1808  3.3461    6.8967    -5.4350   14.019    6.1500    7.9216    7.2668  3.3021  7.4715  2.8495  -0.2046995     4.361619 
1 1 1 -29 16  5  o 11.985  2.5581  23.462    9.1584    11.553    17.347    28.065    10.784    10.283  4.1278  13.686  3.0226  -3.402115      5.116111 
1 1 1 -29 16  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 16  7  f 19.251  2.5932  51.036    12.391    83.668    21.792    35.443    15.063    23.461  3.5813  15.042  3.7515  8.418993       5.186457 
1 1 1 -29 16  8  o 19.602  2.7855  54.291    13.586    85.626    23.949    39.421    16.497    23.430  3.9570  15.774  3.9215  7.656381       5.570988 
1 1 1 -29 16  9  f 10.786  2.9157  15.163    10.957    14.527    20.982    15.402    12.847    11.168  4.5196  10.404  3.6848  0.7642431      5.831385 
1 1 1 -29 16  10 o 13.037  3.1168  26.714    12.375    25.969    22.744    27.028    14.749    12.988  4.8560  13.085  3.9086  -0.9678555E-01 6.233612 
1 1 1 -29 16  11 o 26.236  2.9016  108.935   18.326    105.226   31.709    110.795   22.457    25.085  4.8951  27.387  3.1170  -2.301992      5.803182 
1 1 1 -29 16  12 o 7.7215  2.4859  -3.1681   10.160    -14.8775  21.326    0.2703    11.556    8.1453  3.8281  7.2978  3.1723  0.8474216      4.971712 
1 1 1 -29 16  13 f 14.549  3.2858  34.014    13.356    38.231    26.205    32.534    15.523    14.846  5.2622  14.253  3.9363  0.5928726      6.571556 
1 1 1 -29 16  14 o 14.702  5.7444  37.920    32.756    37.920    32.756    0.0000    0.0000    14.702  5.7444  ?       ?       ?              ?        
1 1 1 -29 16  15 o 20.087  3.3735  64.423    16.494    83.136    31.284    57.218    19.411    21.303  5.4581  18.872  3.9661  2.431007       6.746935 
1 1 1 -29 16  16 o 16.847  3.3240  53.470    15.673    36.949    30.583    59.355    18.252    14.289  5.5594  19.404  3.6455  -5.115812      6.648093 
1 1 1 -29 16  17 o 23.768  3.4676  108.650   19.676    79.327    36.081    121.062   23.474    19.305  6.1741  28.231  3.1585  -8.926394      6.935131 
1 1 1 -29 17  1  o 19.663  2.4361  59.384    11.863    56.919    19.563    60.817    14.919    18.939  3.9828  20.387  2.8065  -1.447397      4.872258 
1 1 1 -29 17  2  o 13.002  2.7979  29.279    10.558    10.238    24.574    33.590    11.693    11.041  4.7100  14.963  3.0215  -3.922843      5.595818 
1 1 1 -29 17  3  o 15.279  2.3206  35.608    9.1670    35.750    12.287    35.431    13.767    15.417  3.0833  15.142  3.4688  0.2749567      4.641103 
1 1 1 -29 17  4  o 17.567  2.2510  46.299    10.147    37.674    13.947    56.001    14.792    15.650  3.4224  19.483  2.9248  -3.832550      4.501939 
1 1 1 -29 17  5  o 16.483  3.5480  42.064    15.200    42.064    15.200    0.0000    0.0000    16.483  3.5480  ?       ?       ?              ?        
1 1 1 -29 17  6  o 12.234  2.5259  22.700    8.7538    18.939    11.506    27.868    13.489    11.148  3.4766  13.321  3.6653  -2.172615      5.051885 
1 1 1 -29 17  7  o 21.277  2.2780  69.170    12.248    80.923    16.753    55.674    17.953    23.620  2.6965  18.934  3.6724  4.685549       4.556059 
1 1 1 -29 17  8  o 8.8397  2.3100  9.4303    7.7812    15.241    9.9884    0.4593    12.410    10.132  3.2494  7.5470  3.2841  2.585419       4.619915 
1 1 1 -29 17  9  o 23.537  2.2169  82.936    13.498    88.943    18.507    76.110    19.729    24.658  2.8550  22.415  3.3921  2.242785       4.433707 
1 1 1 -29 17  10 o 14.795  2.4828  32.422    10.497    14.232    13.923    56.379    15.978    10.224  3.8039  19.365  3.1917  -9.141409      4.965548 
1 1 1 -29 17  11 o 8.0917  2.3560  5.1898    8.1412    6.1740    10.459    3.6767    12.969    8.0249  3.2108  8.1585  3.4486  -0.1336374     4.711913 
1 1 1 -29 17  12 o 17.709  2.6042  48.894    11.975    37.459    16.285    62.357    17.670    15.219  3.9577  20.199  3.3857  -4.979880      5.208320 
1 1 1 -29 17  13 o 11.039  2.7000  18.561    10.690    26.631    13.239    3.4439    18.121    12.939  3.6575  9.1399  3.9728  3.799241       5.400042 
1 1 1 -29 17  14 f 9.1982  2.5585  10.054    9.2352    10.918    12.467    9.0030    13.747    9.2763  3.5660  9.1201  3.6698  0.1561909      5.116985 
1 1 1 -29 17  15 o 12.234  2.8382  24.558    10.776    26.337    14.808    22.555    15.710    12.651  3.9439  11.816  4.0825  0.8347721      5.676373 
1 1 1 -29 17  16 o 12.346  2.7881  24.803    10.786    16.448    14.945    33.887    15.584    10.493  3.9337  14.199  3.9523  -3.706185      5.576264 
1 1 1 -29 18  1  o 11.089  2.3856  18.372    7.7587    14.306    10.331    23.633    11.751    9.8677  3.3125  12.311  3.4338  -2.443466      4.771128 
1 1 1 -29 18  2  o 17.034  2.2910  44.198    10.051    44.252    13.776    44.136    14.698    17.118  3.1195  16.950  3.3561  0.1679897      4.582038 
1 1 1 -29 18  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 18  4  o 8.1035  2.1945  7.0677    6.4397    5.2135    8.0202    10.432    10.803    7.2201  2.8362  8.9869  3.3494  -1.766761      4.388922 
1 1 1 -29 18  5  o 35.659  1.9651  185.034   18.614    178.643   26.137    191.612   26.515    34.998  2.8119  36.320  2.7459  -1.321793      3.930205 
1 1 1 -29 18  6  o 20.192  2.3847  61.812    12.405    56.522    16.782    68.184    18.419    19.221  3.3832  21.163  3.3618  -1.941751      4.769470 
1 1 1 -29 18  7  o 25.419  2.1678  96.533    14.339    102.625   19.657    89.604    20.963    26.482  2.8144  24.357  3.2980  2.124281       4.335636 
1 1 1 -29 18  8  o 10.629  2.6077  16.097    9.0839    11.953    12.005    21.649    13.895    9.4886  3.5318  11.769  3.8376  -2.280521      5.215465 
1 1 1 -29 18  9  o 18.168  2.5054  50.612    11.710    41.171    15.697    62.459    17.584    16.119  3.7124  20.218  3.3653  -4.099457      5.010705 
1 1 1 -29 18  10 o 21.353  2.4977  71.254    13.606    77.796    18.455    63.465    20.139    22.773  3.1067  19.932  3.9119  2.840708       4.995441 
1 1 1 -29 18  11 o 15.113  5.3460  42.036    27.033    0.0000    0.0000    42.036    27.033    ?       ?       15.113  5.3460  ?              ?        
1 1 1 -29 18  12 o 11.948  2.7111  22.998    10.373    30.357    13.882    13.694    15.610    13.720  3.6950  10.176  3.9685  3.543926       5.422300 
1 1 1 -29 18  13 o 7.4724  2.2305  -0.0859   8.5030    10.141    11.393    -12.9476  12.776    8.9120  3.4129  6.0327  2.8727  2.879325       4.460995 
1 1 1 -29 18  14 o 7.8496  2.3280  -0.7934   8.8356    -11.2256  11.551    13.920    13.718    5.7928  2.7507  9.9063  3.7566  -4.113476      4.655985 
1 1 1 -29 18  15 o 11.969  2.6124  19.786    11.032    0.4269    14.945    42.961    16.352    7.9333  3.5219  16.004  3.8594  -8.070584      5.224819 
1 1 1 -29 19  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 19  2  o 14.940  2.6538  36.249    10.663    40.319    14.474    31.419    15.768    16.049  3.4682  13.831  4.0179  2.218283       5.307693 
1 1 1 -29 19  3  o 9.2479  1.9947  12.454    6.6133    21.118    8.2472    -3.1521   11.068    11.886  2.6573  6.6102  2.9755  5.275419       3.989331 
1 1 1 -29 19  4  o 19.789  2.3774  60.435    12.076    63.926    16.515    56.422    17.704    20.611  3.0864  18.967  3.6170  1.644711       4.754830 
1 1 1 -29 19  5  o 9.4166  2.1695  13.382    6.8817    18.602    8.4144    2.8368    11.959    11.092  2.8247  7.7416  3.2937  3.349928       4.339069 
1 1 1 -29 19  6  o 22.837  2.2819  78.579    13.531    73.010    18.326    85.254    20.063    21.954  3.2115  23.720  3.2428  -1.765905      4.563897 
1 1 1 -29 19  7  o 17.996  2.6820  50.994    12.475    43.693    16.626    60.402    18.873    16.466  3.8402  19.525  3.7450  -3.058798      5.363987 
1 1 1 -29 19  8  o 16.052  2.6735  41.132    11.304    35.845    15.313    47.465    16.759    14.868  3.8236  17.236  3.7378  -2.367869      5.347058 
1 1 1 -29 19  9  o 10.086  2.6959  14.122    10.041    16.581    13.247    10.800    15.394    10.517  3.7399  9.6554  3.8840  0.8613462      5.391829 
1 1 1 -29 19  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 19  11 o 6.1855  2.0170  -7.4461   8.0898    -0.5114   10.391    -18.1183  12.890    6.7335  2.9655  5.6376  2.7349  1.095881       4.034088 
1 1 1 -29 19  12 o 9.5468  2.6754  11.400    10.020    9.5787    12.987    14.079    15.750    8.9792  3.5830  10.114  3.9741  -1.135197      5.350815 
1 1 1 -29 19  13 o 7.7443  2.1742  -0.0540   8.5883    15.830    11.124    -23.4905  13.512    10.073  3.4370  5.4160  2.6637  4.656544       4.348378 
1 1 1 -29 20  1  o 9.1521  2.4683  8.6226    8.6272    1.8713    11.164    18.632    13.593    7.3451  3.1550  10.959  3.7969  -3.613933      4.936646 
1 1 1 -29 20  2  o 10.651  2.6550  16.109    9.4636    10.739    12.338    23.785    14.750    9.1939  3.5439  12.109  3.9543  -2.914962      5.309920 
1 1 1 -29 20  3  o 10.841  2.6604  18.203    9.5341    20.867    12.418    14.379    14.881    11.478  3.6170  10.205  3.9023  1.273694       5.320719 
1 1 1 -29 20  4  o 10.427  2.6597  15.520    9.4132    12.181    12.219    20.393    14.764    9.4740  3.5559  11.380  3.9562  -1.905696      5.319385 
1 1 1 -29 20  5  o 15.533  2.8107  39.830    11.687    39.483    15.603    40.274    17.639    15.596  3.7755  15.469  4.1647  0.1274385      5.621346 
1 1 1 -29 20  6  o 14.207  2.8860  33.571    11.496    31.095    15.308    36.773    17.409    13.693  3.9534  14.721  4.2056  -1.028659      5.772065 
1 1 1 -29 20  7  o 9.6643  2.5709  13.023    9.1470    16.081    11.421    7.5528    15.275    10.256  3.4827  9.0724  3.7827  1.183822       5.141774 
1 1 1 -29 20  8  o 8.8039  3.7011  6.4593    14.806    0.0000    0.0000    6.4593    14.806    ?       ?       8.8039  3.7011  ?              ?        
1 1 1 -29 20  9  f 9.5980  2.7356  9.8910    10.633    5.0123    13.506    17.844    17.243    8.3118  3.5166  10.884  4.1912  -2.572274      5.471127 
1 1 1 -29 20  10 o 10.769  2.7917  18.054    10.955    23.916    14.529    10.330    16.676    11.955  3.9255  9.5840  3.9705  2.370657       5.583403 
1 1 1 -29 20  11 o 3.9772  1.4110  -23.7354  6.4020    -17.0664  7.7457    -38.1130  11.373    3.9120  1.9408  4.0423  2.0488  -0.1302640     2.822094 
1 1 1 -29 21  1  o 21.881  2.6020  76.571    14.361    53.988    19.691    102.234   20.990    17.839  4.1920  25.923  3.0835  -8.084200      5.203906 
1 1 1 -29 21  2  o 10.172  2.6155  13.630    9.3156    7.1759    11.968    23.552    14.838    8.3913  3.4073  11.953  3.9691  -3.561480      5.231005 
1 1 1 -29 21  3  o 7.4396  2.2015  2.0410    8.0398    9.4284    10.083    -10.8536  13.322    8.5212  3.2233  6.3580  2.9996  2.163208       4.403050 
1 1 1 -29 21  4  o 13.309  2.9758  29.757    11.885    24.144    15.770    37.135    18.081    12.037  4.0924  14.582  4.3213  -2.545581      5.951555 
1 1 1 -29 21  5  o 10.096  2.7106  13.526    9.9920    8.7222    12.775    21.095    16.036    8.7880  3.5371  11.404  4.1085  -2.616013      5.421301 
1 1 1 -29 21  6  o 7.6355  2.3671  1.3874    8.9665    1.6998    11.179    0.8240    15.013    7.2529  3.1364  8.0181  3.5462  -0.7652755     4.734190 
1 1 1 -29 21  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 21  8  o 15.842  2.9509  44.503    12.763    48.355    17.092    39.647    19.190    16.953  3.8516  14.731  4.4716  2.221845       5.901713 
1 1 1 -29 21  9  o 10.144  2.7600  15.262    11.085    21.565    14.417    6.1503    17.334    11.302  3.9106  8.9861  3.8957  2.315668       5.519909 
1 1 1 -29 22  1  o 29.836  2.3916  140.096   18.604    120.993   25.828    160.695   26.820    27.417  3.6044  32.255  3.1444  -4.837486      4.783215 
1 1 1 -29 22  2  o 7.3475  2.2868  0.5788    8.7466    4.5319    10.765    -7.1014   15.004    7.5948  3.1718  7.1001  3.2950  0.4946613      4.573571 
1 1 1 -29 22  3  o 12.267  2.9820  25.742    11.778    21.993    15.589    30.729    17.979    11.447  4.0585  13.086  4.3700  -1.638452      5.963919 
1 1 1 -29 22  4  o 11.056  2.8966  19.996    11.292    19.702    14.721    20.416    17.600    10.954  3.9374  11.158  4.2494  -0.2037840     5.793177 
1 1 1 -29 22  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 22  6  o 8.6399  2.5739  6.7593    10.430    11.762    13.488    -0.6799   16.447    9.2753  3.6671  8.0045  3.6129  1.270788       5.147836 
1 1 1 -29 22  7  o 9.2807  2.6675  11.324    10.380    13.273    13.359    8.3548    16.489    9.4966  3.6801  9.0648  3.8624  0.4318237      5.334905 
1 1 1 -29 23  1  o 8.8788  2.5604  5.4121    11.143    19.987    14.623    -14.7725  17.208    10.880  3.9228  6.8781  3.2914  4.001399       5.120704 
1 1 1 -29 23  2  o 18.954  4.2788  64.690    21.208    0.0000    0.0000    64.690    21.208    ?       ?       18.954  4.2788  ?              ?        
1 1 1 -29 23  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -29 23  4  o 15.643  3.0543  44.902    13.588    31.909    18.182    61.340    20.451    12.924  4.3941  18.363  4.2433  -5.438457      6.108543 
1 1 1 -29 23  5  o 9.8291  2.8209  14.086    11.232    11.944    14.063    17.859    18.668    9.2072  3.7093  10.451  4.2510  -1.243899      5.641755 
1 1 1 -29 24  1  o 16.051  4.3396  49.565    19.104    49.565    19.104    0.0000    0.0000    16.051  4.3396  ?       ?       ?              ?        
1 1 1 -28 -16 12 o 9.1254  4.0476  -1.8143   19.698    -1.8143   19.698    0.0000    0.0000    9.1254  4.0476  ?       ?       ?              ?        
1 1 1 -28 -16 13 o 18.852  4.8540  57.950    24.657    57.950    24.657    0.0000    0.0000    18.852  4.8540  ?       ?       ?              ?        
1 1 1 -28 -15 5  o 13.158  3.0119  26.332    11.907    27.363    19.228    25.692    15.164    13.361  4.5189  12.956  3.9831  0.4043951      6.023744 
1 1 1 -28 -15 6  o 24.329  2.8011  88.964    17.398    111.928   25.826    69.881    23.542    27.473  3.5960  21.186  4.2957  6.286404       5.602107 
1 1 1 -28 -15 7  o 8.6696  2.5953  2.8367    9.6630    7.0306    17.537    1.0083    11.579    9.8173  4.0698  7.5219  3.2216  2.295412       5.190574 
1 1 1 -28 -15 8  o 21.376  2.9123  69.086    15.987    79.077    24.234    61.387    21.273    22.753  4.1285  19.999  4.1087  2.754120       5.824644 
1 1 1 -28 -15 9  o 11.685  3.0317  18.482    12.521    11.619    20.708    22.437    15.721    11.031  4.4810  12.339  4.0848  -1.307896      6.063457 
1 1 1 -28 -15 10 f 14.715  3.1222  34.216    13.516    26.265    21.149    39.706    17.572    13.374  4.7287  16.056  4.0783  -2.681769      6.244452 
1 1 1 -28 -15 11 o 15.901  3.1852  39.944    14.135    36.788    22.078    42.137    18.401    15.286  4.8234  16.517  4.1612  -1.230437      6.370347 
1 1 1 -28 -15 12 o 10.812  2.9298  11.735    11.386    21.929    19.840    6.7287    13.904    12.550  4.5625  9.0734  3.6766  3.476865       5.859538 
1 1 1 -28 -15 13 o 17.561  3.0984  50.141    15.351    28.452    23.001    67.563    20.614    13.860  4.9281  21.263  3.7569  -7.403473      6.196805 
1 1 1 -28 -15 14 o 11.330  3.0591  15.765    12.760    14.364    20.406    16.664    16.352    11.402  4.5097  11.258  4.1344  0.1447735      6.118103 
1 1 1 -28 -15 15 o 21.654  3.7223  90.439    21.683    39.757    43.671    107.022   24.980    16.313  6.5490  26.996  3.5400  -10.68255      7.444502 
1 1 1 -28 -15 16 o 8.8090  3.5033  7.1567    12.378    0.0000    0.0000    7.1567    12.378    ?       ?       8.8090  3.5033  ?              ?        
1 1 1 -28 -15 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -15 18 o 12.079  4.6721  18.373    21.501    18.373    21.501    0.0000    0.0000    12.079  4.6721  ?       ?       ?              ?        
1 1 1 -28 -15 19 o 20.967  3.3002  71.288    18.195    55.159    26.396    85.888    25.114    18.245  5.1670  23.688  4.1070  -5.443598      6.600454 
1 1 1 -28 -15 20 o 27.693  2.9751  117.667   21.153    139.219   30.656    98.079    29.226    30.427  3.8476  24.959  4.5390  5.468538       5.950289 
1 1 1 -28 -14 1  o 11.229  2.8580  12.621    11.944    31.913    18.539    -1.0686   15.616    14.201  4.4104  8.2566  3.6359  5.944740       5.715907 
1 1 1 -28 -14 2  o 15.444  3.1533  37.554    13.807    43.803    20.362    32.236    18.784    16.568  4.4805  14.319  4.4383  2.248907       6.306614 
1 1 1 -28 -14 3  o 7.7546  2.3989  -1.7588   9.7876    -14.8249  16.714    5.0599    12.074    7.1749  3.3773  8.3343  3.4076  -1.159455      4.797729 
1 1 1 -28 -14 4  f 7.4318  2.3552  -5.7579   10.126    -20.0650  16.698    2.5642    12.736    6.7687  3.2399  8.0950  3.4194  -1.326363      4.710489 
1 1 1 -28 -14 5  o 11.754  2.9991  17.709    11.941    25.377    19.113    12.800    15.292    13.110  4.5045  10.398  3.9607  2.711542       5.998139 
1 1 1 -28 -14 6  o 26.803  2.5366  105.085   17.703    115.639   25.874    95.795    24.275    28.128  3.5107  25.479  3.6624  2.649166       5.073267 
1 1 1 -28 -14 7  o 9.4858  2.6301  7.7815    10.577    -9.3454   18.399    16.235    12.926    8.1513  3.7340  10.820  3.7049  -2.669042      5.260170 
1 1 1 -28 -14 8  o 14.653  3.0660  30.639    13.052    46.369    20.709    20.272    16.812    17.270  4.4495  12.037  4.2196  5.233153       6.132091 
1 1 1 -28 -14 9  o 17.862  3.0275  47.653    14.466    65.741    22.076    34.040    19.151    20.847  4.0996  14.878  4.4561  5.968904       6.055017 
1 1 1 -28 -14 10 o 20.215  2.8615  61.002    14.828    66.920    22.805    56.668    19.518    20.990  4.2028  19.440  3.8843  1.550297       5.722902 
1 1 1 -28 -14 11 o 14.377  3.2006  31.347    13.598    31.343    21.532    31.350    17.538    14.398  4.7812  14.356  4.2563  0.4153252E-01  6.401232 
1 1 1 -28 -14 12 o 14.129  3.0192  30.954    13.297    15.071    20.971    41.636    17.197    11.664  4.5848  16.595  3.9296  -4.930554      6.038429 
1 1 1 -28 -14 13 o 9.9752  2.8192  5.9032    11.284    18.853    18.918    -1.2483   14.059    12.010  4.4409  7.9404  3.4743  4.069629       5.638453 
1 1 1 -28 -14 14 o 12.006  2.9977  15.299    12.829    34.507    20.084    2.0602    16.674    14.975  4.5806  9.0373  3.8681  5.937995       5.995367 
1 1 1 -28 -14 15 o 9.7458  2.5609  4.4073    11.519    -28.1049  18.875    23.700    14.540    6.8432  3.3174  12.648  3.9023  -5.805229      5.121826 
1 1 1 -28 -14 16 o 12.445  3.2069  20.171    13.790    27.114    21.370    15.218    18.052    13.621  4.7583  11.269  4.3007  2.352454       6.413790 
1 1 1 -28 -14 17 o 27.354  2.6551  110.081   18.915    116.504   27.601    104.395   25.972    28.111  3.7600  26.597  3.7497  1.513538       5.310112 
1 1 1 -28 -14 18 o 26.997  2.8659  109.982   19.901    98.873    28.864    120.049   27.475    25.421  4.3982  28.572  3.6754  -3.150795      5.731733 
1 1 1 -28 -14 19 o 12.451  3.6662  13.694    17.681    18.615    36.876    12.224    20.149    13.840  5.8308  11.062  4.4458  2.777632       7.332311 
1 1 1 -28 -14 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -14 21 o 22.386  4.6742  79.275    27.122    79.275    27.122    0.0000    0.0000    22.386  4.6742  ?       ?       ?              ?        
1 1 1 -28 -14 22 o 18.073  3.3472  53.022    17.048    70.645    24.106    35.391    24.112    21.239  4.3828  14.906  5.0603  6.333274       6.694456 
1 1 1 -28 -14 23 o 40.027  2.5911  238.893   27.021    194.510   37.754    285.505   38.690    35.799  4.0061  44.254  3.2875  -8.455765      5.182295 
1 1 1 -28 -13 1  o 15.923  2.9801  37.632    13.688    59.694    20.653    20.351    18.278    19.752  4.0401  12.094  4.3819  7.657819       5.960108 
1 1 1 -28 -13 2  o 24.022  2.6291  86.062    16.285    79.515    23.512    92.099    22.578    22.968  3.9651  25.075  3.4533  -2.106623      5.258104 
1 1 1 -28 -13 3  o 6.8413  2.2091  -6.7946   9.0134    -19.4364  15.992    -0.9095   10.912    6.6362  3.1749  7.0465  3.0726  -0.4103360     4.418236 
1 1 1 -28 -13 4  o 20.139  2.7515  60.761    14.283    63.028    20.909    58.779    19.557    20.463  3.9580  19.815  3.8232  0.6475925      5.503028 
1 1 1 -28 -13 5  o 7.0757  2.2786  -6.4858   9.4255    -13.1144  15.514    -2.6079   11.866    7.0397  3.2946  7.1116  3.1486  -0.7192469E-01 4.557164 
1 1 1 -28 -13 6  o 28.679  2.3982  118.363   17.995    132.163   26.253    106.134   24.713    30.330  3.2841  27.028  3.4956  3.301525       4.796307 
1 1 1 -28 -13 7  o 10.717  2.8818  12.369    12.101    0.5434    18.782    20.763    15.823    9.3367  4.0514  12.097  4.0993  -2.759831      5.763551 
1 1 1 -28 -13 8  o 24.133  2.6621  84.444    16.285    112.556   24.509    62.218    21.792    27.965  3.3379  20.300  4.1480  7.665428       5.324299 
1 1 1 -28 -13 9  f 13.173  3.0233  25.747    12.457    18.363    19.414    30.915    16.241    12.023  4.4882  14.323  4.0519  -2.299708      6.046623 
1 1 1 -28 -13 10 f 6.5811  2.1833  -10.8001  8.7624    -9.0598   16.019    -11.5431  10.467    7.5936  3.4806  5.5686  2.6367  2.024943       4.366557 
1 1 1 -28 -13 11 o 42.628  2.2417  258.332   25.346    250.826   36.787    265.116   34.971    41.933  3.3019  43.322  3.0329  -1.388672      4.483418 
1 1 1 -28 -13 12 o 31.027  2.4450  138.917   19.856    136.083   29.427    141.286   26.904    30.604  3.6626  31.451  3.2401  -0.8477192     4.890082 
1 1 1 -28 -13 13 o 4.9893  1.7361  -19.5937  7.5716    -36.1493  14.630    -13.5375  8.8488    5.2280  2.6056  4.7507  2.2950  0.4773378      3.472259 
1 1 1 -28 -13 14 o 31.711  2.4165  143.805   20.133    159.514   29.712    130.469   27.376    33.345  3.3731  30.077  3.4613  3.267380       4.833058 
1 1 1 -28 -13 15 o 13.676  3.1736  27.727    13.437    25.375    20.243    29.579    17.965    13.319  4.6324  14.033  4.3390  -0.7143278     6.347105 
1 1 1 -28 -13 16 o 33.739  2.4564  163.839   21.862    172.463   31.654    155.974   30.229    34.602  3.4618  32.877  3.4860  1.724953       4.912883 
1 1 1 -28 -13 17 o 16.076  3.1991  37.918    15.212    59.337    22.757    20.617    20.453    19.657  4.4284  12.495  4.6181  7.162083       6.398218 
1 1 1 -28 -13 18 o 8.0388  2.5944  -8.1454   12.113    -7.5812   19.315    -8.5112   15.552    8.5728  3.8880  7.5047  3.4361  1.068102       5.188763 
1 1 1 -28 -13 19 o 38.978  2.3950  218.677   24.756    217.522   35.104    219.820   34.916    38.860  3.4070  39.097  3.3670  -0.2375374     4.790075 
1 1 1 -28 -13 20 o 22.197  3.1653  76.024    18.167    67.724    25.515    84.556    25.871    20.797  4.6921  23.596  4.2497  -2.799353      6.330506 
1 1 1 -28 -13 21 o 13.912  3.2429  27.957    15.134    11.709    21.764    43.170    21.059    11.249  4.5844  16.574  4.5877  -5.325038      6.485721 
1 1 1 -28 -13 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -13 23 o 16.217  4.9542  42.498    23.502    42.498    23.502    0.0000    0.0000    16.217  4.9542  ?       ?       ?              ?        
1 1 1 -28 -13 24 o 28.387  2.8570  122.552   21.100    119.432   29.915    125.642   29.766    27.960  4.1178  28.814  3.9615  -0.8541927     5.713992 
1 1 1 -28 -12 1  o 18.652  2.9569  52.895    14.519    67.746    21.346    40.107    19.807    21.253  3.8932  16.050  4.4516  5.202902       5.913859 
1 1 1 -28 -12 2  o 20.036  2.8301  64.268    14.988    28.561    21.498    98.034    20.906    13.882  4.7769  26.190  3.0365  -12.30755      5.660294 
1 1 1 -28 -12 3  o 17.458  2.6183  44.887    12.103    67.898    18.047    26.080    16.315    21.684  3.2038  13.231  4.1422  8.452446       5.236578 
1 1 1 -28 -12 4  o 12.319  2.6676  21.967    10.816    5.5863    16.659    33.906    14.222    9.5423  3.9621  15.095  3.5731  -5.552782      5.335219 
1 1 1 -28 -12 5  o 24.538  2.5620  88.682    16.141    79.455    23.675    96.697    22.064    23.120  3.9658  25.955  3.2447  -2.834658      5.123999 
1 1 1 -28 -12 6  o 26.685  2.4431  103.035   16.994    101.002   24.841    104.823   23.300    26.344  3.6159  27.026  3.2864  -0.6824226     4.886223 
1 1 1 -28 -12 7  o 34.979  2.2391  173.914   20.724    173.503   30.035    174.288   28.632    34.885  3.2518  35.073  3.0790  -0.1883316     4.478256 
1 1 1 -28 -12 8  o 13.226  2.8283  24.217    11.248    37.195    17.158    14.436    14.895    15.699  4.0526  10.752  3.9464  4.947888       5.656666 
1 1 1 -28 -12 9  o 21.777  2.7054  68.707    14.908    98.749    22.617    45.626    19.824    26.242  3.2900  17.312  4.2957  8.930340       5.410816 
1 1 1 -28 -12 10 o 17.207  2.9322  44.285    13.287    49.594    20.131    40.188    17.686    18.090  4.2304  16.325  4.0614  1.764812       5.864350 
1 1 1 -28 -12 11 o 26.310  2.5820  99.646    16.928    140.917   25.383    66.591    22.717    31.555  3.0408  21.064  4.1738  10.49100       5.164049 
1 1 1 -28 -12 12 o 36.117  2.3002  186.527   21.857    173.875   31.985    197.610   29.938    34.805  3.4775  37.429  3.0118  -2.623718      4.600396 
1 1 1 -28 -12 13 o 27.896  2.4958  112.533   18.156    110.443   26.672    114.337   24.784    27.549  3.7088  28.244  3.3409  -0.6941433     4.991648 
1 1 1 -28 -12 14 o 19.361  2.8439  55.608    14.215    61.600    21.301    50.796    19.087    20.298  4.0597  18.424  3.9838  1.874372       5.687891 
1 1 1 -28 -12 15 o 11.124  2.7715  13.356    11.914    -6.1561   18.047    28.428    15.861    8.4430  3.8001  13.804  4.0353  -5.361113      5.542939 
1 1 1 -28 -12 16 o 29.431  2.5150  124.940   19.402    132.425   28.136    118.154   26.790    30.293  3.5341  28.570  3.5794  1.722765       5.030068 
1 1 1 -28 -12 17 o 23.285  2.8793  81.123    17.231    75.042    25.010    86.618    23.773    22.274  4.3481  24.296  3.7757  -2.021757      5.758626 
1 1 1 -28 -12 18 o 31.490  2.5843  145.109   20.968    117.739   29.692    172.336   29.615    28.204  4.0464  34.777  3.2157  -6.573072      5.168544 
1 1 1 -28 -12 19 o 10.628  2.7340  3.5165    12.903    -25.4173  18.479    31.041    18.024    6.9275  3.3392  14.329  4.3300  -7.401175      5.468008 
1 1 1 -28 -12 20 o 26.960  2.7838  107.824   19.400    96.380    27.422    119.292   27.449    25.341  4.1862  28.578  3.6708  -3.237568      5.567665 
1 1 1 -28 -12 21 o 30.931  2.5832  139.714   20.988    138.962   29.698    140.464   29.664    30.837  3.6674  31.025  3.6388  -0.1878223     5.166355 
1 1 1 -28 -12 22 o 19.804  3.2441  61.694    17.223    42.909    24.171    81.069    24.547    16.430  5.0251  23.179  4.1041  -6.748379      6.488130 
1 1 1 -28 -12 23 o 14.499  2.9517  28.957    18.144    -54.6361  33.747    62.944    21.518    8.6703  4.2531  20.327  4.0939  -11.65659      5.903315 
1 1 1 -28 -12 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -12 25 o 12.171  3.3454  18.747    15.639    18.240    21.655    19.300    22.608    12.042  4.6802  12.299  4.7814  -0.2567759     6.690761 
1 1 1 -28 -12 26 o 15.227  3.5455  37.847    16.789    40.188    23.390    35.358    24.114    15.650  4.9675  14.805  5.0603  0.8443203      7.091032 
1 1 1 -28 -11 1  o 38.523  2.1629  210.977   22.089    223.546   31.106    198.191   31.372    39.769  2.9410  37.276  3.1723  2.493206       4.325848 
1 1 1 -28 -11 2  o 18.177  2.6830  51.940    12.981    25.700    18.773    75.985    17.970    13.270  4.4652  23.083  2.9758  -9.813485      5.365935 
1 1 1 -28 -11 3  o 18.382  2.7587  50.355    13.150    55.907    19.297    45.540    17.969    19.366  3.8557  17.398  3.9465  1.967936       5.517367 
1 1 1 -28 -11 4  o 14.164  2.5919  30.096    11.798    3.8207    17.648    51.328    15.865    9.5220  4.0238  18.806  3.2681  -9.284060      5.183808 
1 1 1 -28 -11 5  o 41.978  2.1295  248.810   23.767    240.835   33.802    256.607   33.424    41.260  3.0808  42.696  2.9406  -1.435570      4.258990 
1 1 1 -28 -11 6  o 11.833  2.8549  18.901    10.701    23.456    16.935    15.874    13.807    12.763  4.2403  10.904  3.8238  1.859276       5.709812 
1 1 1 -28 -11 7  o 10.497  2.7447  13.412    10.098    13.491    15.844    13.358    13.104    10.718  4.0438  10.276  3.7122  0.4415541      5.489357 
1 1 1 -28 -11 8  o 8.9073  2.5737  4.1572    9.5863    10.795    15.522    0.0639    12.189    10.187  3.9615  7.6274  3.2867  2.559813       5.147418 
1 1 1 -28 -11 9  o 14.005  2.9141  29.386    11.625    27.747    17.816    30.602    15.340    13.697  4.3341  14.313  3.8967  -0.6159620     5.828264 
1 1 1 -28 -11 10 o 16.292  2.9105  40.514    12.709    35.605    19.348    44.239    16.855    15.314  4.4511  17.269  3.7513  -1.954468      5.821064 
1 1 1 -28 -11 11 o 36.186  2.1964  185.072   21.023    186.939   30.938    183.470   28.655    36.287  3.2164  36.084  2.9918  0.2036514      4.392762 
1 1 1 -28 -11 12 o 28.919  2.3663  118.871   17.924    130.694   26.739    109.224   24.153    30.221  3.3602  27.616  3.3327  2.605221       4.732616 
1 1 1 -28 -11 13 o 23.736  2.6239  81.838    16.092    90.422    23.697    74.493    21.920    24.933  3.6571  22.539  3.7637  2.393631       5.247858 
1 1 1 -28 -11 14 o 22.045  2.7463  72.224    15.514    66.119    22.844    77.451    21.136    20.984  4.2108  23.106  3.5269  -2.121784      5.492670 
1 1 1 -28 -11 15 o 10.874  2.9029  12.280    11.705    21.272    17.913    5.5801    15.463    12.429  4.3557  9.3197  3.8387  3.109610       5.805791 
1 1 1 -28 -11 16 o 14.283  2.9959  30.088    13.113    15.873    18.834    43.463    18.268    11.576  4.3989  16.990  4.0682  -5.413486      5.991699 
1 1 1 -28 -11 17 o 9.1677  2.7402  2.7345    11.732    -2.9707   17.480    7.4115    15.827    8.6547  3.8271  9.6807  3.9227  -1.026066      5.480362 
1 1 1 -28 -11 18 f 30.015  2.5581  131.247   19.749    105.548   27.781    157.504   28.081    26.746  4.0007  33.283  3.1890  -6.536625      5.116206 
1 1 1 -28 -11 19 o 30.749  2.5140  136.816   20.219    123.130   28.517    150.650   28.671    29.061  3.7512  32.438  3.3481  -3.376850      5.028026 
1 1 1 -28 -11 20 o 12.289  3.0369  18.980    13.323    4.7637    19.127    32.379    18.569    9.9578  4.1975  14.620  4.3899  -4.661963      6.073720 
1 1 1 -28 -11 21 o 19.632  3.2083  59.859    16.636    49.382    23.739    69.971    23.321    17.734  4.8555  21.530  4.1948  -3.796926      6.416552 
1 1 1 -28 -11 22 o 33.177  2.6573  163.237   22.284    119.150   31.398    207.980   31.631    28.123  4.3052  38.231  3.1160  -10.10778      5.314593 
1 1 1 -28 -11 23 o 26.492  2.9045  105.340   19.923    107.309   27.794    103.260   28.574    26.828  3.9893  26.156  4.2224  0.6725502      5.808911 
1 1 1 -28 -11 24 o 27.389  2.9129  114.292   20.284    135.278   28.318    92.178    29.069    30.428  3.5408  24.350  4.6262  6.077892       5.825704 
1 1 1 -28 -11 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -11 26 o 14.753  4.2701  9.8471    19.353    -0.6968   20.770    79.326    53.316    9.4869  4.1846  20.019  7.4447  -10.53167      8.540184 
1 1 1 -28 -11 27 o 25.432  3.1061  102.269   20.136    122.542   28.393    81.752    28.562    28.487  3.8171  22.377  4.9011  6.110088       6.212201 
1 1 1 -28 -10 1  o 23.143  2.4429  78.477    14.498    66.214    20.657    90.380    20.352    21.139  3.7875  25.148  3.0862  -4.008669      4.885702 
1 1 1 -28 -10 2  o 19.623  3.8868  57.440    19.706    57.440    19.706    0.0000    0.0000    19.623  3.8868  ?       ?       ?              ?        
1 1 1 -28 -10 3  o 10.998  4.5327  9.2349    21.578    9.2349    21.578    0.0000    0.0000    10.998  4.5327  ?       ?       ?              ?        
1 1 1 -28 -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 10 o 63.281  4.3922  589.973   73.985    589.973   73.985    0.0000    0.0000    63.281  4.3922  ?       ?       ?              ?        
1 1 1 -28 -10 11 o 9.0680  2.9517  -6.8784   12.716    -6.6489   14.036    -7.9285   30.028    7.3051  3.3136  10.831  4.8858  -3.525769      5.903449 
1 1 1 -28 -10 12 o 41.039  2.1929  238.120   23.846    223.991   34.309    251.325   33.168    39.751  3.2508  42.326  2.9440  -2.575027      4.385717 
1 1 1 -28 -10 13 o 16.505  2.9188  40.271    13.024    52.573    19.410    30.196    17.565    18.784  3.9815  14.225  4.2692  4.558285       5.837656 
1 1 1 -28 -10 14 o 24.279  2.5794  85.951    16.183    80.070    23.339    91.397    22.460    23.349  3.8673  25.209  3.4142  -1.859985      5.158740 
1 1 1 -28 -10 15 o 18.280  2.8776  49.934    13.756    57.749    19.934    42.830    19.006    19.733  3.9098  16.828  4.2232  2.904480       5.755218 
1 1 1 -28 -10 16 o 43.382  2.2645  266.464   26.124    262.120   36.967    270.798   36.923    43.005  3.2329  43.759  3.1717  -0.7541733     4.528952 
1 1 1 -28 -10 17 o 12.917  2.9568  22.594    12.442    35.917    17.952    10.281    17.259    15.414  4.2233  10.421  4.1392  4.992484       5.913509 
1 1 1 -28 -10 18 o 25.077  2.7007  92.410    17.478    101.870   24.660    82.859    24.778    26.528  3.5603  23.625  4.0621  2.903708       5.401477 
1 1 1 -28 -10 19 o 17.799  3.0966  48.376    14.664    47.002    20.881    49.713    20.599    17.520  4.4431  18.077  4.3143  -0.5562229     6.193116 
1 1 1 -28 -10 20 o 34.617  2.4014  171.682   21.972    166.722   30.986    176.698   31.162    34.081  3.4416  35.154  3.3500  -1.073036      4.802856 
1 1 1 -28 -10 21 o 22.558  2.8875  75.979    16.801    77.501    24.056    74.529    23.475    22.778  4.0935  22.338  4.0736  0.4399605      5.775032 
1 1 1 -28 -10 22 o 21.170  3.2168  68.857    17.691    66.879    24.602    70.975    25.459    20.857  4.5334  21.484  4.5650  -0.6270046     6.433558 
1 1 1 -28 -10 23 o 14.631  3.4039  32.481    15.437    31.737    21.380    33.291    22.311    14.480  4.7623  14.782  4.8649  -0.3022518     6.807831 
1 1 1 -28 -10 24 o 15.730  3.4198  38.566    15.912    32.817    22.229    44.608    22.788    14.651  4.8577  16.809  4.8149  -2.157372      6.839636 
1 1 1 -28 -10 25 o 10.974  2.9350  2.4243    14.550    -26.2215  20.202    33.302    20.974    7.2794  3.5046  14.669  4.7091  -7.389812      5.870076 
1 1 1 -28 -10 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 27 o 19.726  2.8307  76.057    15.107    15.945    26.749    104.212   18.306    12.303  5.0559  27.148  2.5473  -14.84448      5.661403 
1 1 1 -28 -10 28 o 22.451  2.9576  81.833    15.769    68.863    27.811    87.979    19.144    20.269  5.1209  24.633  2.9609  -4.363968      5.915246 
1 1 1 -28 -9  1  o 14.792  2.7697  32.676    11.207    38.591    16.336    27.419    15.402    16.036  3.8517  13.549  3.9811  2.486806       5.539377 
1 1 1 -28 -9  2  o 9.9201  2.6935  10.715    10.022    9.7939    15.086    11.442    13.408    9.9182  3.8919  9.9220  3.7248  -0.3755569E-02 5.387083 
1 1 1 -28 -9  3  o 26.054  2.3037  97.077    15.701    104.031   22.606    90.595    21.824    27.000  3.1873  25.107  3.3272  1.893469       4.607473 
1 1 1 -28 -9  4  o 33.255  2.1235  155.943   18.703    161.169   26.885    151.042   26.035    33.799  3.0009  32.710  3.0052  1.088669       4.246981 
1 1 1 -28 -9  5  o 9.5852  2.5953  9.7878    9.1864    10.349    14.445    9.4066    11.904    9.9228  3.8319  9.2476  3.5012  0.6752672      5.190541 
1 1 1 -28 -9  6  o 17.533  2.6015  44.583    11.865    60.139    17.796    32.136    15.919    20.396  3.3757  14.670  3.9594  5.725975       5.203041 
1 1 1 -28 -9  7  o 7.7446  2.2776  2.9438    7.6163    1.3389    12.607    3.8661    9.5573    7.9594  3.3840  7.5297  3.0493  0.4297361      4.555183 
1 1 1 -28 -9  8  o 18.037  2.6021  48.499    12.067    42.222    18.052    53.570    16.225    16.789  4.0589  19.285  3.2570  -2.495863      5.204142 
1 1 1 -28 -9  9  o 15.330  2.6859  33.608    11.156    47.877    17.082    22.993    14.733    18.057  3.6572  12.602  3.9347  5.455863       5.371839 
1 1 1 -28 -9  10 o 18.781  2.6491  51.980    12.790    50.783    19.140    52.945    17.191    18.480  3.9843  19.082  3.4923  -0.6019535     5.298157 
1 1 1 -28 -9  11 o 12.673  2.7134  23.191    10.975    8.5512    16.644    34.452    14.597    10.062  4.0418  15.283  3.6213  -5.220825      5.426836 
1 1 1 -28 -9  12 o 29.632  3.3214  138.063   21.892    117.722   41.729    145.788   25.716    27.088  5.9170  32.175  3.0193  -5.086653      6.642811 
1 1 1 -28 -9  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -9  15 o 10.703  2.8173  13.704    10.830    11.225    16.219    15.698    14.548    10.412  4.0493  10.993  3.9182  -0.5811815     5.634636 
1 1 1 -28 -9  16 o 7.9650  2.4754  -2.1107   10.161    -2.5429   15.069    -1.7504   13.759    8.0953  3.5679  7.8347  3.4323  0.2606430      4.950836 
1 1 1 -28 -9  17 o 25.690  2.6349  96.103    17.589    92.444    24.876    99.761    24.872    25.147  3.8129  26.233  3.6376  -1.086823      5.269821 
1 1 1 -28 -9  18 o 21.074  2.7949  65.961    15.181    61.756    21.641    70.036    21.302    20.313  4.1186  21.835  3.7792  -1.522255      5.589734 
1 1 1 -28 -9  19 o 29.930  2.5059  129.346   19.618    141.281   27.854    117.596   27.637    31.421  3.3618  28.439  3.7171  2.981714       5.011827 
1 1 1 -28 -9  20 o 32.089  2.3935  147.555   20.224    137.493   28.380    157.937   28.826    30.903  3.4898  33.275  3.2769  -2.371962      4.787092 
1 1 1 -28 -9  21 o 30.685  2.5322  136.621   20.272    151.731   28.590    121.343   28.748    32.568  3.3241  28.802  3.8208  3.765854       5.064361 
1 1 1 -28 -9  22 o 20.143  3.1480  62.057    16.522    61.709    22.873    62.436    23.890    20.126  4.3684  20.160  4.5341  -0.3395462E-01 6.296072 
1 1 1 -28 -9  23 o 8.5861  2.6902  -3.2320   12.297    -5.6427   17.308    -0.7749   17.474    8.2873  3.7265  8.8849  3.8808  -0.5976219     5.380321 
1 1 1 -28 -9  24 o 29.736  2.6903  129.913   20.927    134.608   29.958    125.439   29.246    30.286  3.7750  29.185  3.8340  1.100512       5.380543 
1 1 1 -28 -9  25 o 34.421  2.1871  166.110   19.143    180.124   32.354    158.561   23.746    35.252  3.4716  33.590  2.6611  1.661919       4.374211 
1 1 1 -28 -9  26 o 18.544  2.9274  52.537    13.236    52.857    24.262    52.402    15.794    18.158  4.8826  18.931  3.2307  -0.7729988     5.854729 
1 1 1 -28 -9  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -9  28 o 13.969  3.2124  26.871    12.781    42.561    24.023    20.676    15.096    16.089  5.0245  11.850  4.0040  4.239522       6.424757 
1 1 1 -28 -9  29 o 16.061  3.1074  39.256    12.846    48.411    23.787    35.486    15.264    17.007  4.9332  15.116  3.7799  1.890651       6.214823 
1 1 1 -28 -8  1  o 30.001  2.1998  128.247   17.264    146.172   24.537    110.673   24.295    32.226  2.8728  27.775  3.3322  4.450531       4.399595 
1 1 1 -28 -8  2  o 12.844  2.7155  24.386    10.653    13.390    16.022    33.101    14.264    10.739  4.0628  14.950  3.6042  -4.210958      5.431092 
1 1 1 -28 -8  3  o 23.944  2.4053  84.204    14.556    65.487    21.086    101.244   20.119    21.065  3.8802  26.824  2.8436  -5.759621      4.810649 
1 1 1 -28 -8  4  o 34.734  2.0838  169.822   19.152    161.303   27.541    177.799   26.652    33.812  3.0745  35.655  2.8137  -1.842339      4.167683 
1 1 1 -28 -8  5  o 23.455  2.3799  79.420    14.407    72.504    20.966    85.606    19.829    22.343  3.6279  24.567  3.0813  -2.223707      4.759851 
1 1 1 -28 -8  6  o 11.392  2.6686  17.681    9.4201    20.893    14.453    15.309    12.421    12.123  3.9110  10.662  3.6318  1.461003       5.337201 
1 1 1 -28 -8  7  o 13.272  2.4242  25.991    10.229    3.6108    15.346    43.886    13.722    9.0310  3.7807  17.513  3.0353  -8.481915      4.848315 
1 1 1 -28 -8  8  f 26.925  2.1999  102.483   15.536    103.124   22.764    101.924   21.257    26.957  3.2164  26.894  3.0021  0.6310272E-01  4.399751 
1 1 1 -28 -8  9  o 10.618  2.6326  14.272    9.1146    17.493    14.445    12.140    11.749    11.389  3.9158  9.8479  3.5199  1.540675       5.265299 
1 1 1 -28 -8  10 o 22.460  2.4089  71.856    13.961    83.028    20.702    62.538    18.907    24.127  3.2892  20.794  3.5203  3.333111       4.817868 
1 1 1 -28 -8  11 o 15.520  2.7589  35.466    11.374    38.049    17.351    33.519    15.061    15.974  4.0497  15.065  3.7478  0.9089804      5.517861 
1 1 1 -28 -8  12 o 19.237  2.5935  54.115    12.852    52.841    18.719    55.250    17.676    18.955  3.8191  19.519  3.5100  -0.5638371     5.187061 
1 1 1 -28 -8  13 o 9.6958  2.3516  8.1739    9.1668    -11.3815  13.895    23.245    12.198    6.7712  3.1519  12.620  3.4909  -5.849335      4.703279 
1 1 1 -28 -8  14 o 8.1078  2.3710  1.8635    8.8497    -6.7810   13.219    8.8840    11.913    7.0529  3.2055  9.1627  3.4945  -2.109741      4.742043 
1 1 1 -28 -8  15 o 19.493  3.8369  55.977    19.319    0.0000    0.0000    55.977    19.319    ?       ?       19.493  3.8369  ?              ?        
1 1 1 -28 -8  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -8  17 o 20.073  2.7956  60.168    14.459    52.074    20.828    67.697    20.087    18.578  4.2745  21.568  3.6044  -2.989620      5.591279 
1 1 1 -28 -8  18 o 9.6150  2.7704  6.8118    11.223    6.7628    16.372    6.8552    15.414    9.7099  3.9688  9.5201  3.8664  0.1897869      5.540812 
1 1 1 -28 -8  19 o 38.170  2.2579  206.501   22.870    202.690   32.294    210.335   32.391    37.797  3.2206  38.544  3.1655  -0.7466965     4.515808 
1 1 1 -28 -8  20 o 33.291  2.3643  158.458   20.780    153.680   29.576    163.116   29.201    32.741  3.4232  33.840  3.2620  -1.098682      4.728549 
1 1 1 -28 -8  21 o 14.919  3.2675  33.268    14.632    25.250    20.268    41.994    21.144    13.327  4.6352  16.511  4.6065  -3.183652      6.534933 
1 1 1 -28 -8  22 o 13.056  2.8631  20.698    13.288    -3.1401   18.753    44.734    18.831    8.9291  3.9555  17.183  4.1405  -8.253545      5.726184 
1 1 1 -28 -8  23 o 6.3484  2.0836  -7.5414   7.1796    -4.3777   14.413    -8.5856   8.2801    7.6586  3.4253  5.0382  2.3732  2.620484       4.167143 
1 1 1 -28 -8  24 o 36.431  2.2170  193.019   20.268    173.605   33.376    204.361   25.510    34.552  3.6621  38.311  2.4997  -3.758301      4.433913 
1 1 1 -28 -8  25 o 24.703  2.5139  86.746    15.266    97.089    26.791    81.773    18.576    25.469  4.0638  23.936  2.9606  1.532492       5.027884 
1 1 1 -28 -8  26 o 15.437  3.0845  35.148    12.499    42.008    22.902    32.238    14.916    16.276  4.8724  14.597  3.7837  1.679255       6.169049 
1 1 1 -28 -8  27 o 10.618  2.9156  8.6504    11.147    24.685    20.871    2.2519    13.184    13.071  4.6894  8.1657  3.4658  4.905246       5.831142 
1 1 1 -28 -8  28 o 41.530  3.6872  255.414   40.590    255.414   40.590    0.0000    0.0000    41.530  3.6872  ?       ?       ?              ?        
1 1 1 -28 -8  29 o 9.4833  2.8141  6.3563    11.666    -1.1185   21.361    9.5335    13.927    9.4929  4.2126  9.4738  3.7323  0.1912498E-01  5.628174 
1 1 1 -28 -7  1  o 12.457  2.6680  22.138    9.6973    27.465    14.569    17.902    12.994    13.613  3.8329  11.301  3.7123  2.312078       5.335988 
1 1 1 -28 -7  2  o 27.065  2.2345  104.739   15.706    90.413    22.459    118.452   21.973    25.084  3.4327  29.045  2.8616  -3.960560      4.469041 
1 1 1 -28 -7  3  o 42.186  2.0185  248.568   22.650    245.533   32.636    251.388   31.461    41.893  2.9269  42.479  2.7804  -0.5866508     4.037002 
1 1 1 -28 -7  4  o 29.985  2.0745  125.953   16.432    131.857   23.872    120.636   22.653    30.653  2.9437  29.318  2.9238  1.335091       4.148961 
1 1 1 -28 -7  5  o 39.880  2.0303  222.255   21.487    213.004   31.023    230.786   29.790    39.009  2.9919  40.750  2.7453  -1.741005      4.060559 
1 1 1 -28 -7  6  o 12.726  2.6212  23.156    9.4608    27.450    14.278    19.795    12.632    13.672  3.7749  11.779  3.6377  1.893394       5.242360 
1 1 1 -28 -7  7  o 35.599  2.0267  176.802   19.128    175.135   27.782    178.303   26.374    35.393  2.9577  35.804  2.7717  -0.4114952     4.053453 
1 1 1 -28 -7  8  o 12.806  2.5830  23.412    9.3062    28.469    13.996    19.405    12.459    13.930  3.6918  11.681  3.6137  2.249596       5.166046 
1 1 1 -28 -7  9  o 27.687  2.1503  107.312   15.647    115.518   23.090    100.343   21.277    28.665  3.0543  26.708  3.0278  1.957571       4.300698 
1 1 1 -28 -7  10 o 23.492  2.3109  79.110    13.993    72.378    20.649    84.826    19.027    22.423  3.5568  24.561  2.9514  -2.138670      4.621851 
1 1 1 -28 -7  11 o 29.780  2.1824  124.368   17.130    132.536   25.022    117.164   23.500    30.707  3.0839  28.853  3.0888  1.853941       4.364748 
1 1 1 -28 -7  12 o 19.605  2.5251  56.096    12.703    50.965    18.589    60.591    17.398    18.625  3.8534  20.585  3.2644  -1.960871      5.050257 
1 1 1 -28 -7  13 o 8.7133  2.4745  5.7733    8.8668    2.3720    13.565    8.3107    11.716    8.4091  3.5392  9.0176  3.4592  -0.6085634     4.948961 
1 1 1 -28 -7  14 o 10.770  2.7174  14.083    9.9911    19.827    14.921    9.4143    13.452    11.945  3.9808  9.5963  3.7000  2.348277       5.434797 
1 1 1 -28 -7  15 o 20.716  2.6331  62.617    14.066    62.042    20.181    63.160    19.617    20.589  3.7994  20.844  3.6465  -0.2546024     5.266167 
1 1 1 -28 -7  16 f 9.5400  2.6499  7.1842    10.313    -0.5881   14.671    14.777    14.501    8.2607  3.5826  10.819  3.9056  -2.558579      5.299881 
1 1 1 -28 -7  17 o 18.969  4.3321  54.261    21.528    0.0000    0.0000    54.261    21.528    ?       ?       18.969  4.3321  ?              ?        
1 1 1 -28 -7  18 o 18.986  5.1148  56.370    26.594    56.370    26.594    0.0000    0.0000    18.986  5.1148  ?       ?       ?              ?        
1 1 1 -28 -7  19 o 33.206  2.3770  158.790   20.406    126.460   28.847    191.169   28.869    29.530  3.7304  36.882  2.9469  -7.352461      4.753977 
1 1 1 -28 -7  20 o 32.064  2.0383  140.798   16.867    161.201   27.813    128.929   21.213    33.740  3.1128  30.388  2.6323  3.351921       4.076553 
1 1 1 -28 -7  21 o 13.438  2.7340  28.218    10.449    17.549    18.836    32.961    12.559    11.849  4.4213  15.026  3.2174  -3.177455      5.468098 
1 1 1 -28 -7  22 o 20.302  2.5124  56.731    12.572    72.916    22.122    49.011    15.278    22.208  3.8591  18.396  3.2180  3.812429       5.024727 
1 1 1 -28 -7  23 f 35.464  2.1785  182.123   19.316    165.091   32.130    191.762   24.171    33.767  3.6084  37.161  2.4421  -3.393719      4.357072 
1 1 1 -28 -7  24 o 38.781  2.1028  210.921   20.916    218.635   34.563    206.463   26.273    39.081  3.3337  38.480  2.5637  0.6010246      4.205512 
1 1 1 -28 -7  25 o 8.2687  2.4375  0.4893    10.040    -23.0234  18.074    10.983    12.075    6.9702  3.3454  9.5672  3.5459  -2.597060      4.874910 
1 1 1 -28 -7  26 o 15.125  3.0695  36.556    13.094    26.963    22.826    41.260    15.985    13.664  4.9039  16.586  3.6931  -2.921605      6.139018 
1 1 1 -28 -7  27 o 14.466  3.1515  30.329    12.705    39.565    22.651    26.089    15.346    15.788  4.8704  13.144  4.0007  2.644322       6.302945 
1 1 1 -28 -7  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -7  29 o 23.766  3.0050  86.284    17.073    91.723    30.881    83.889    20.490    23.658  5.0282  23.873  3.2919  -0.2149925     6.009991 
1 1 1 -28 -7  30 o 22.933  2.9680  72.889    16.592    118.140   30.413    53.713    19.798    27.424  4.2802  18.441  4.1129  8.982618       5.935952 
1 1 1 -28 -6  1  o 22.178  2.3514  70.960    13.434    63.066    19.298    78.381    18.712    20.837  3.5870  23.519  3.0415  -2.681753      4.702901 
1 1 1 -28 -6  2  o 51.374  2.0334  367.986   27.835    358.440   39.992    376.955   38.765    50.667  2.9597  52.082  2.7890  -1.414417      4.066733 
1 1 1 -28 -6  3  o 27.523  2.1418  107.896   15.265    91.478    22.142    122.767   21.073    25.339  3.3440  29.707  2.6771  -4.367823      4.283594 
1 1 1 -28 -6  4  o 22.517  2.1738  71.680    12.750    72.865    18.586    70.626    17.523    22.667  3.1460  22.366  3.0008  0.3012981      4.347610 
1 1 1 -28 -6  5  o 10.681  2.2429  11.699    8.1198    30.298    12.546    -1.7042   10.651    14.448  3.3128  6.9141  3.0247  7.533756       4.485882 
1 1 1 -28 -6  6  o 18.512  2.3704  49.135    11.298    51.289    16.617    47.284    15.408    18.875  3.4124  18.148  3.2910  0.7273827      4.740765 
1 1 1 -28 -6  7  o 8.4880  2.2840  6.1588    7.2279    12.173    11.408    2.1255    9.3422    9.8307  3.4733  7.1452  2.9669  2.685449       4.567995 
1 1 1 -28 -6  8  o 14.816  2.4903  32.786    9.8480    24.288    14.725    39.662    13.246    12.973  3.9123  16.659  3.0822  -3.685098      4.980597 
1 1 1 -28 -6  9  o 12.488  2.5339  22.762    9.0110    18.385    13.622    26.168    12.015    11.549  3.8014  13.427  3.3515  -1.877572      5.067878 
1 1 1 -28 -6  10 o 16.820  2.5011  40.722    10.892    47.043    16.187    35.493    14.723    18.046  3.4750  15.595  3.5980  2.450994       5.002121 
1 1 1 -28 -6  11 o 15.923  2.5594  36.197    10.778    49.649    16.239    25.604    14.409    18.578  3.3882  13.268  3.8369  5.309402       5.118735 
1 1 1 -28 -6  12 o 22.221  2.3993  71.380    13.632    60.561    19.770    81.185    18.821    20.416  3.7536  24.025  2.9894  -3.608917      4.798593 
1 1 1 -28 -6  13 o 14.571  2.6505  30.438    10.649    42.102    15.826    20.786    14.396    16.998  3.5887  12.144  3.9017  4.854516       5.301098 
1 1 1 -28 -6  14 o 26.230  2.3373  97.841    15.933    110.971   22.736    85.172    22.334    28.083  3.0727  24.376  3.5229  3.707254       4.674661 
1 1 1 -28 -6  15 o 16.822  2.8140  41.913    12.526    48.018    17.943    36.111    17.493    18.071  3.8262  15.572  4.1274  2.498832       5.628083 
1 1 1 -28 -6  16 o 7.8806  2.4202  -1.0607   9.5296    -3.3356   13.568    1.1541    13.388    7.5922  3.3638  8.1689  3.4805  -0.5767226     4.840320 
1 1 1 -28 -6  17 o 20.942  2.8724  66.066    15.359    73.736    20.555    56.370    23.110    22.610  3.5076  19.273  4.5497  3.337046       5.744866 
1 1 1 -28 -6  18 o 22.588  2.6087  71.382    15.492    0.0000    0.0000    71.382    15.492    ?       ?       22.588  2.6087  ?              ?        
1 1 1 -28 -6  19 o 24.858  4.9092  94.828    31.527    94.828    31.527    0.0000    0.0000    24.858  4.9092  ?       ?       ?              ?        
1 1 1 -28 -6  20 o 26.587  2.2062  100.698   14.687    99.534    24.524    101.348   18.339    26.224  3.5853  26.949  2.5718  -0.7250328     4.412318 
1 1 1 -28 -6  21 o 45.445  2.0265  290.781   23.842    283.228   38.151    295.621   30.540    44.703  3.2075  46.186  2.4777  -1.483593      4.053068 
1 1 1 -28 -6  22 o 9.7866  2.5990  11.057    9.4555    0.5259    16.968    15.800    11.388    8.9443  3.8659  10.629  3.4746  -1.684664      5.197904 
1 1 1 -28 -6  23 o 37.079  2.0914  193.523   19.858    195.942   32.680    192.107   25.003    37.010  3.3324  37.147  2.5279  -0.1372566     4.182743 
1 1 1 -28 -6  24 o 38.010  2.1837  210.293   20.902    184.624   33.997    225.893   26.504    35.703  3.6045  40.316  2.4662  -4.613445      4.367409 
1 1 1 -28 -6  25 o 11.426  2.8722  17.943    11.118    7.6919    20.386    22.283    13.264    10.552  4.3822  12.300  3.7140  -1.748915      5.744367 
1 1 1 -28 -6  26 o 15.411  2.9330  40.501    13.513    12.982    24.387    52.695    16.233    11.835  4.8413  18.987  3.3125  -7.152230      5.866068 
1 1 1 -28 -6  27 o 24.286  2.6408  83.011    15.690    101.665   28.138    74.594    18.901    25.889  4.2018  22.682  3.2000  3.206888       5.281551 
1 1 1 -28 -6  28 o 21.742  2.9371  66.660    15.494    91.040    28.402    56.331    18.487    24.125  4.5624  19.359  3.7001  4.766214       5.874227 
1 1 1 -28 -6  29 f 14.506  5.0190  33.299    23.748    33.299    23.748    0.0000    0.0000    14.506  5.0190  ?       ?       ?              ?        
1 1 1 -28 -6  30 o 9.6592  2.9818  2.8635    12.880    5.5244    25.674    1.9687    14.889    10.867  4.7260  8.4519  3.6373  2.414677       5.963668 
1 1 1 -28 -5  1  o 26.459  2.0950  99.272    14.416    87.580    20.961    109.766   19.858    24.837  3.2271  28.081  2.6725  -3.243393      4.190003 
1 1 1 -28 -5  2  o 44.056  1.9757  269.793   23.144    262.130   33.514    276.780   32.000    43.396  2.9000  44.717  2.6841  -1.321228      3.951494 
1 1 1 -28 -5  3  o 71.308  2.1804  706.638   41.626    731.712   59.938    683.278   57.854    72.527  3.0854  70.088  3.0817  2.438362       4.360836 
1 1 1 -28 -5  4  o 16.036  2.3583  36.699    9.7942    45.415    14.592    29.553    13.212    17.826  3.1724  14.245  3.4902  3.581609       4.716581 
1 1 1 -28 -5  5  o 20.478  2.2286  59.060    11.679    73.476    17.279    46.936    15.846    22.896  2.8814  18.059  3.4007  4.836266       4.457263 
1 1 1 -28 -5  6  o 20.360  2.2496  58.746    11.544    79.447    17.038    41.173    15.697    23.884  2.7113  16.836  3.5904  7.047472       4.499128 
1 1 1 -28 -5  7  o 29.482  2.0323  121.101   15.817    119.922   22.954    122.166   21.827    29.308  2.9649  29.655  2.7803  -0.3471813     4.064579 
1 1 1 -28 -5  8  o 13.561  2.4595  26.267    8.9830    31.689    13.503    21.963    12.032    14.774  3.4713  12.349  3.4854  2.424836       4.919089 
1 1 1 -28 -5  9  o 13.757  2.5604  27.209    9.5316    31.113    14.356    24.131    12.747    14.602  3.6737  12.912  3.5674  1.690033       5.120761 
1 1 1 -28 -5  10 o 36.933  2.0923  190.369   20.447    178.589   29.498    201.263   28.367    35.751  3.1115  38.115  2.7981  -2.363880      4.184589 
1 1 1 -28 -5  11 o 19.202  2.4332  52.928    12.028    53.249    17.644    52.650    16.440    19.216  3.5592  19.189  3.3187  0.2669144E-01  4.866406 
1 1 1 -28 -5  12 o 10.833  2.5668  15.815    8.7480    15.152    13.167    16.340    11.705    10.777  3.7367  10.888  3.5203  -0.1107140     5.133690 
1 1 1 -28 -5  13 o 18.990  2.5140  52.620    12.251    44.604    17.683    60.017    16.988    17.431  3.8867  20.549  3.1898  -3.118931      5.028012 
1 1 1 -28 -5  14 o 33.587  2.4006  160.420   20.877    165.176   27.331    153.759   32.347    34.385  2.9976  32.790  3.7506  1.595253       4.801281 
1 1 1 -28 -5  15 o 25.443  2.2408  96.270    13.755    75.858    22.612    108.260   17.330    22.859  3.8285  28.027  2.3297  -5.168219      4.481590 
1 1 1 -28 -5  16 o 22.217  2.3483  71.774    12.693    66.331    21.561    74.660    15.702    21.281  3.9272  23.152  2.5757  -1.870922      4.696520 
1 1 1 -28 -5  17 o 40.774  1.9236  228.221   20.481    244.615   32.753    217.695   26.245    41.844  2.9410  39.703  2.4803  2.140568       3.847248 
1 1 1 -28 -5  18 o 57.487  1.9555  451.396   29.819    508.810   46.266    410.599   39.000    60.501  2.8550  54.473  2.6730  6.028854       3.911035 
1 1 1 -28 -5  19 o 18.071  2.9239  46.541    13.669    0.0000    0.0000    46.541    13.669    ?       ?       18.071  2.9239  ?              ?        
1 1 1 -28 -5  20 o 29.162  4.8354  129.393   36.447    129.393   36.447    0.0000    0.0000    29.162  4.8354  ?       ?       ?              ?        
1 1 1 -28 -5  21 o 8.0946  2.3238  3.7793    8.3105    -11.1805  15.409    9.9158    9.8689    7.2245  3.3479  8.9647  3.2237  -1.740246      4.647690 
1 1 1 -28 -5  22 o 16.493  2.8350  42.110    11.940    36.118    21.053    44.951    14.496    15.371  4.6876  17.615  3.1898  -2.244806      5.669940 
1 1 1 -28 -5  23 o 23.121  2.6180  79.392    14.591    75.238    25.312    81.460    17.856    22.249  4.4033  23.993  2.8331  -1.744606      5.236022 
1 1 1 -28 -5  24 o 7.0774  2.2728  -4.5301   8.4316    -7.3387   16.245    -3.4946   9.8642    7.8269  3.5559  6.3278  2.8317  1.499037       4.545609 
1 1 1 -28 -5  25 o 25.307  2.4053  83.893    15.083    127.861   26.748    63.393    18.264    29.752  3.4185  20.861  3.3847  8.891764       4.810663 
1 1 1 -28 -5  26 o 31.166  2.4619  141.025   18.830    140.126   32.749    141.469   23.014    30.644  4.0921  31.688  2.7385  -1.043781      4.923889 
1 1 1 -28 -5  27 o 16.272  3.1670  43.982    14.207    29.262    26.257    50.076    16.894    14.194  5.2352  18.351  3.5655  -4.156709      6.334018 
1 1 1 -28 -5  28 o 16.467  2.7196  50.308    14.205    -1.7026   25.756    73.045    17.029    10.368  4.6121  22.567  2.8833  -12.19888      5.439154 
1 1 1 -28 -5  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -5  30 o 22.977  2.9966  70.754    16.815    130.858   30.898    45.462    20.043    29.149  4.0684  16.806  4.4007  12.34267       5.993134 
1 1 1 -28 -4  1  o 49.661  1.9634  341.383   25.989    346.690   37.670    336.563   35.902    50.001  2.8242  49.320  2.7283  0.6815872      3.926847 
1 1 1 -28 -4  2  o 61.890  2.0740  529.941   34.366    543.233   49.527    517.598   47.724    62.625  2.9526  61.156  2.9135  1.468800       4.148055 
1 1 1 -28 -4  3  o 8.6522  2.1564  6.3714    6.8594    16.863    10.383    -1.7522   9.1368    10.923  3.2833  6.3817  2.7964  4.541090       4.312761 
1 1 1 -28 -4  4  o 26.968  1.9877  100.971   14.115    110.079   20.504    92.767    19.461    28.152  2.7545  25.784  2.8665  2.368391       3.975403 
1 1 1 -28 -4  5  o 42.183  1.9774  245.919   22.206    251.874   31.945    240.351   30.891    42.672  2.8107  41.694  2.7821  0.9779358      3.954749 
1 1 1 -28 -4  6  o 15.020  2.3081  32.144    9.0459    40.334    13.384    25.257    12.274    16.829  3.0827  13.212  3.4361  3.617503       4.616230 
1 1 1 -28 -4  7  f 30.000  3.3573  126.723   26.515    0.0000    0.0000    126.723   26.515    ?       ?       30.000  3.3573  ?              ?        
1 1 1 -28 -4  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -4  9  o 13.002  2.4789  24.277    8.7954    26.233    13.161    22.698    11.824    13.453  3.5869  12.551  3.4227  0.9021235      4.957865 
1 1 1 -28 -4  10 o 27.670  2.1221  107.078   15.439    104.532   22.398    109.383   21.311    27.308  3.1181  28.031  2.8793  -0.7233486     4.244124 
1 1 1 -28 -4  11 o 10.517  2.3013  13.844    6.7061    20.570    12.308    11.004    7.9975    12.009  3.5668  9.0244  2.9090  2.984960       4.602601 
1 1 1 -28 -4  12 o 12.824  2.3957  22.427    7.9173    28.182    14.114    19.784    9.5639    13.910  3.7171  11.739  3.0233  2.171174       4.791389 
1 1 1 -28 -4  13 o 19.809  2.3175  58.120    11.099    48.903    18.653    63.173    13.810    18.273  3.9278  21.345  2.4606  -3.071455      4.634901 
1 1 1 -28 -4  14 o 28.986  1.9236  111.434   14.399    143.112   23.728    92.971    18.115    32.099  2.7875  25.873  2.6515  6.225904       3.847155 
1 1 1 -28 -4  15 o 10.887  2.4573  16.501    7.8449    14.865    13.691    17.300    9.5719    10.774  3.8053  10.999  3.1103  -0.2246466     4.914654 
1 1 1 -28 -4  16 o 18.736  2.5399  59.063    11.556    28.042    19.277    76.464    14.437    13.947  4.5184  23.525  2.3214  -9.578702      5.079887 
1 1 1 -28 -4  17 o 32.546  1.9558  143.782   16.503    164.979   26.960    131.081   20.870    34.338  2.9603  30.754  2.5567  3.583384       3.911521 
1 1 1 -28 -4  18 o 16.869  2.5472  45.109    10.826    29.736    18.121    53.641    13.500    14.194  4.3527  19.544  2.6470  -5.350639      5.094339 
1 1 1 -28 -4  19 o 11.230  2.6960  17.008    9.2755    16.952    16.393    17.034    11.249    11.490  4.1519  10.971  3.4403  0.5197210      5.392017 
1 1 1 -28 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -4  21 o 25.409  2.4640  98.670    14.807    76.651    24.895    110.724   18.419    22.600  4.2690  28.218  2.4617  -5.617706      4.927911 
1 1 1 -28 -4  22 o 20.903  2.6116  65.329    13.303    60.310    22.616    67.984    16.451    19.915  4.3606  21.890  2.8752  -1.975224      5.223208 
1 1 1 -28 -4  23 o 39.332  2.0945  213.480   21.225    237.686   35.297    199.770   26.565    40.844  3.2534  37.820  2.6389  3.023991       4.189079 
1 1 1 -28 -4  24 o 10.883  2.8034  15.031    9.9749    14.230    18.620    15.353    11.813    11.226  4.3462  10.541  3.5421  0.6848288      5.606778 
1 1 1 -28 -4  25 o 19.583  2.9784  56.906    14.250    62.194    25.668    54.549    17.133    19.875  4.8618  19.292  3.4420  0.5828743      5.956870 
1 1 1 -28 -4  26 o 18.692  3.1181  52.557    14.438    57.700    26.235    50.322    17.291    18.983  5.0657  18.402  3.6371  0.5809402      6.236189 
1 1 1 -28 -4  27 o 21.268  2.9928  68.555    15.443    70.659    27.489    67.585    18.667    21.030  4.9605  21.506  3.3497  -0.4758797     5.985579 
1 1 1 -28 -4  28 o 14.340  3.3053  30.299    13.473    35.685    25.821    28.283    15.793    15.073  5.2324  13.606  4.0402  1.467228       6.610652 
1 1 1 -28 -4  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -4  30 o 15.970  3.4399  35.525    15.032    63.371    28.482    24.774    17.697    19.206  5.3422  12.734  4.3351  6.471306       6.879831 
1 1 1 -28 -3  1  o 31.164  1.8912  134.124   15.596    147.080   22.693    122.527   21.469    32.616  2.6197  29.711  2.7283  2.904461       3.782381 
1 1 1 -28 -3  2  o 35.638  1.9256  175.920   18.207    171.110   26.307    180.342   25.224    35.126  2.8198  36.149  2.6230  -1.022808      3.851150 
1 1 1 -28 -3  3  o 39.402  1.9415  214.801   20.327    207.982   29.273    221.150   28.248    38.753  2.8400  40.051  2.6481  -1.298653      3.883028 
1 1 1 -28 -3  4  o 57.237  2.0931  453.455   31.969    450.609   45.703    456.181   44.734    57.034  3.0023  57.439  2.9172  -0.4055939     4.186194 
1 1 1 -28 -3  5  o 35.987  1.9647  179.185   18.772    175.147   26.935    182.999   26.176    35.561  2.8519  36.414  2.7030  -0.8532982     3.929311 
1 1 1 -28 -3  6  o 32.683  1.9675  147.880   17.047    145.850   24.463    149.798   23.769    32.440  2.8441  32.926  2.7195  -0.4858208     3.935074 
1 1 1 -28 -3  7  o 44.656  1.8131  270.751   21.274    291.646   33.553    256.703   27.511    46.009  2.7350  43.303  2.3811  2.705154       3.626278 
1 1 1 -28 -3  8  o 7.2541  1.8785  5.7682    5.0088    -1.5587   9.0718    8.9813    6.0076    6.4004  2.7959  8.1078  2.5095  -1.707366      3.756948 
1 1 1 -28 -3  9  o 55.260  1.9689  420.263   28.542    420.759   44.789    419.924   37.035    55.109  3.0461  55.410  2.4954  -0.3007355     3.937718 
1 1 1 -28 -3  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -3  11 o 11.890  2.5050  20.127    8.6158    17.716    12.482    22.322    11.908    11.323  3.6325  12.457  3.4503  -1.134290      5.009948 
1 1 1 -28 -3  12 o 23.862  1.9400  77.375    11.861    87.407    19.503    71.487    14.941    24.998  2.9708  22.726  2.4957  2.272640       3.879989 
1 1 1 -28 -3  13 o 28.489  2.0101  115.516   14.480    102.190   23.180    124.042   18.542    26.924  3.2823  30.055  2.3213  -3.131207      4.020226 
1 1 1 -28 -3  14 o 14.757  2.1475  38.208    9.5575    -1.4719   15.907    60.624    11.956    8.5253  3.7138  20.988  2.1575  -12.46297      4.295042 
1 1 1 -28 -3  15 o 14.194  2.5193  29.679    9.3116    27.315    15.709    30.959    11.562    13.696  4.0195  14.692  3.0383  -0.9962158     5.038548 
1 1 1 -28 -3  16 o 22.063  2.1315  66.402    11.894    78.007    19.933    59.985    14.822    23.438  3.2637  20.687  2.7426  2.751421       4.263018 
1 1 1 -28 -3  17 o 17.908  2.4424  46.520    10.817    45.838    18.285    46.888    13.416    17.609  3.9715  18.207  2.8441  -0.5978374     4.884872 
1 1 1 -28 -3  18 o 20.375  2.3630  55.334    12.002    78.365    20.598    43.497    14.767    23.396  3.3854  17.354  3.2975  6.041828       4.725980 
1 1 1 -28 -3  19 o 38.239  1.9117  194.329   18.988    250.314   31.227    161.486   23.917    42.399  2.7648  34.080  2.6408  8.319386       3.823315 
1 1 1 -28 -3  20 o 34.469  1.9893  164.848   17.698    172.363   28.807    160.291   22.430    34.935  3.1112  34.003  2.4798  0.9313774      3.978576 
1 1 1 -28 -3  21 o 22.507  5.2128  79.697    30.807    79.697    30.807    0.0000    0.0000    22.507  5.2128  ?       ?       ?              ?        
1 1 1 -28 -3  22 o 34.937  2.2202  177.982   19.307    156.593   31.983    190.244   24.218    32.851  3.6992  37.023  2.4561  -4.171967      4.440316 
1 1 1 -28 -3  23 o 38.620  2.1271  209.062   21.018    217.522   34.943    204.266   26.309    38.965  3.3816  38.276  2.5813  0.6896782      4.254185 
1 1 1 -28 -3  24 o 22.566  2.6795  71.911    14.826    86.225    26.206    65.174    17.980    23.912  4.2472  21.220  3.2682  2.692423       5.359094 
1 1 1 -28 -3  25 o 12.660  2.8209  24.647    12.073    0.3736    22.054    35.033    14.426    9.9897  4.3617  15.331  3.5783  -5.341191      5.641703 
1 1 1 -28 -3  26 o 20.676  3.0233  73.733    15.181    43.442    27.097    87.590    18.328    16.497  5.3582  24.854  2.8019  -8.357212      6.046554 
1 1 1 -28 -3  27 o 14.978  3.3204  31.857    13.771    44.718    25.676    26.664    16.316    16.660  5.1931  13.297  4.1389  3.362370       6.640738 
1 1 1 -28 -3  28 o 19.080  3.2409  58.051    15.321    55.264    28.561    59.177    18.154    18.200  5.4397  19.959  3.5247  -1.759031      6.481807 
1 1 1 -28 -3  29 o 12.975  4.1257  25.704    16.129    0.0000    0.0000    25.704    16.129    ?       ?       12.975  4.1257  ?              ?        
1 1 1 -28 -3  30 o 21.774  3.2305  73.571    17.066    83.787    31.020    69.138    20.436    22.228  5.2871  21.321  3.7135  0.9075642      6.460935 
1 1 1 -28 -2  1  o 25.341  2.4037  91.553    14.388    89.353    26.287    92.494    17.193    24.812  4.0984  25.870  2.5128  -1.058065      4.807425 
1 1 1 -28 -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -2  3  o 21.891  3.0567  67.383    17.434    0.0000    0.0000    67.383    17.434    ?       ?       21.891  3.0567  ?              ?        
1 1 1 -28 -2  4  o 30.377  3.2295  152.976   22.211    79.375    35.476    200.424   28.484    22.669  5.8146  38.085  2.8122  -15.41578      6.458922 
1 1 1 -28 -2  5  o 45.111  1.8015  277.749   21.327    287.460   33.514    271.140   27.648    45.682  2.7518  44.539  2.3257  1.142487       3.602968 
1 1 1 -28 -2  6  o 30.229  1.7603  125.978   13.748    124.204   21.995    127.116   17.612    29.959  2.7724  30.500  2.1700  -0.5406761     3.520700 
1 1 1 -28 -2  7  o 19.221  1.7966  50.462    8.7875    55.136    14.375    47.674    11.104    19.864  2.7779  18.578  2.2792  1.285519       3.593226 
1 1 1 -28 -2  8  o 40.148  1.8843  226.081   19.456    202.736   30.816    241.557   25.090    38.226  3.0347  42.070  2.2345  -3.844769      3.768632 
1 1 1 -28 -2  9  o 76.847  2.1492  808.403   43.893    866.543   67.190    765.120   57.974    79.138  3.1698  74.556  2.9031  4.582314       4.298321 
1 1 1 -28 -2  10 o 32.944  1.8386  147.793   15.706    157.178   25.416    141.995   19.977    33.697  2.8425  32.191  2.3328  1.506020       3.677157 
1 1 1 -28 -2  11 o 40.980  1.8731  229.691   20.050    238.501   31.863    223.916   25.797    41.527  2.8825  40.432  2.3928  1.095356       3.746200 
1 1 1 -28 -2  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -2  13 o 54.716  1.9790  413.722   28.508    406.444   43.979    418.997   37.439    54.124  3.0460  55.307  2.5273  -1.183540      3.957943 
1 1 1 -28 -2  14 o 28.393  1.9063  109.592   14.018    122.158   22.704    101.851   17.821    29.618  2.8991  27.167  2.4763  2.451061       3.812660 
1 1 1 -28 -2  15 o 21.239  2.1329  64.255    11.250    61.153    18.590    66.047    14.130    20.649  3.4852  21.828  2.4597  -1.178434      4.265765 
1 1 1 -28 -2  16 o 10.296  2.3871  12.066    7.4190    22.229    13.040    7.2018    9.0212    12.424  3.6667  8.1675  3.0574  4.256613       4.774140 
1 1 1 -28 -2  17 o 13.451  2.5590  26.962    9.2161    22.952    15.851    29.010    11.328    12.713  4.0951  14.188  3.0699  -1.474733      5.118041 
1 1 1 -28 -2  18 o 51.704  1.9523  365.650   26.571    402.795   41.857    340.577   34.389    53.773  2.9170  49.636  2.5956  4.137310       3.904672 
1 1 1 -28 -2  19 o 47.841  1.9673  313.345   24.645    345.398   39.436    292.806   31.568    49.692  2.9766  45.990  2.5730  3.701996       3.934526 
1 1 1 -28 -2  20 f 18.671  2.6420  62.117    12.492    21.453    21.308    83.412    15.420    12.829  4.7185  24.513  2.3784  -11.68445      5.284001 
1 1 1 -28 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -2  22 o 24.417  2.5800  89.721    15.056    78.461    25.872    95.487    18.515    22.757  4.4038  26.077  2.6893  -3.320461      5.159994 
1 1 1 -28 -2  23 o 25.039  2.5988  91.683    15.939    91.490    27.280    91.784    19.641    24.648  4.2879  25.429  2.9376  -0.7817593     5.197685 
1 1 1 -28 -2  24 o 13.391  2.8640  28.243    11.609    13.763    20.745    34.843    14.007    11.456  4.5419  15.327  3.4901  -3.870986      5.727960 
1 1 1 -28 -2  25 o 30.556  2.4633  137.090   18.376    129.508   31.678    140.936   22.560    29.442  4.1307  31.670  2.6848  -2.227261      4.926528 
1 1 1 -28 -2  26 o 11.898  3.0936  17.973    12.176    21.474    22.102    16.448    14.589    12.741  4.7824  11.054  3.9255  1.687257       6.187148 
1 1 1 -28 -2  27 o 12.844  3.1415  20.987    12.243    34.169    22.795    15.643    14.514    14.838  4.9191  10.851  3.9087  3.986361       6.282949 
1 1 1 -28 -2  28 o 30.750  2.6836  140.127   20.181    141.669   35.112    139.367   24.661    30.310  4.4582  31.189  2.9886  -0.8797188     5.367230 
1 1 1 -28 -2  29 o 29.011  3.0927  121.920   23.662    0.0000    0.0000    121.920   23.662    ?       ?       29.011  3.0927  ?              ?        
1 1 1 -28 -2  30 o 19.697  3.5666  66.975    19.036    54.969    30.007    75.061    24.625    17.662  5.6286  21.731  4.3818  -4.068790      7.133133 
1 1 1 -28 -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -1  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -1  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -1  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -1  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -1  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -1  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 -1  8  o 54.456  1.8977  404.694   27.273    419.768   42.364    394.025   35.641    55.193  2.8756  53.719  2.4770  1.474655       3.795372 
1 1 1 -28 -1  9  o 21.425  1.8827  64.578    10.105    60.665    16.539    66.909    12.764    20.770  3.0650  22.079  2.1871  -1.309551      3.765334 
1 1 1 -28 -1  10 o 82.181  2.2914  936.689   49.935    926.227   75.857    944.689   66.334    81.574  3.4718  82.788  2.9914  -1.213348      4.582785 
1 1 1 -28 -1  11 o 49.588  1.9598  340.038   25.432    328.960   39.728    347.730   33.104    48.721  3.0598  50.455  2.4496  -1.733273      3.919576 
1 1 1 -28 -1  12 o 30.549  1.8988  130.501   14.928    121.739   23.603    136.342   19.272    29.553  3.0244  31.546  2.2966  -1.992378      3.797550 
1 1 1 -28 -1  13 o 27.720  4.2691  111.492   30.680    111.492   30.680    0.0000    0.0000    27.720  4.2691  ?       ?       ?              ?        
1 1 1 -28 -1  14 o 27.456  1.8930  101.915   13.487    117.735   21.763    92.051    17.184    29.105  2.8273  25.807  2.5181  3.297705       3.786064 
1 1 1 -28 -1  15 o 19.846  2.2620  57.173    11.039    51.678    18.256    60.341    13.860    18.859  3.7461  20.832  2.5363  -1.972733      4.523994 
1 1 1 -28 -1  16 o 40.510  1.9588  231.682   20.451    207.130   32.122    248.418   26.520    38.468  3.1451  42.552  2.3358  -4.083557      3.917596 
1 1 1 -28 -1  17 o 38.955  1.9223  208.755   19.508    218.329   31.197    202.607   24.999    39.560  2.9657  38.349  2.4465  1.211357       3.844610 
1 1 1 -28 -1  18 o 15.234  2.5266  38.985    10.690    13.534    18.375    52.005    13.143    11.210  4.3238  19.259  2.6154  -8.049603      5.053253 
1 1 1 -28 -1  19 o 30.843  2.1241  130.006   16.726    148.494   28.209    119.983   20.771    32.346  3.3022  29.339  2.6724  3.007074       4.248133 
1 1 1 -28 -1  20 o 32.423  2.1045  147.281   17.301    150.358   28.971    145.575   21.569    32.461  3.3817  32.385  2.5060  0.7555008E-01  4.209042 
1 1 1 -28 -1  21 o 8.4894  3.9079  -12.0199  20.491    0.0000    0.0000    -12.0199  20.491    ?       ?       8.4894  3.9079  ?              ?        
1 1 1 -28 -1  22 o 17.452  2.8220  44.760    12.215    48.574    21.766    43.007    14.758    17.743  4.5563  17.160  3.3309  0.5828419      5.644021 
1 1 1 -28 -1  23 o 21.842  2.7126  66.130    14.512    85.953    25.935    57.094    17.511    23.914  4.2023  19.769  3.4313  4.144815       5.425249 
1 1 1 -28 -1  24 o 14.249  2.8480  24.475    11.159    50.726    20.621    13.603    13.270    18.184  4.3012  10.314  3.7342  7.870108       5.696023 
1 1 1 -28 -1  25 o 29.502  2.4983  123.713   18.419    136.553   31.722    117.183   22.623    30.315  4.0047  28.689  2.9879  1.626656       4.996531 
1 1 1 -28 -1  26 o 19.110  3.1511  56.288    15.024    57.238    26.731    55.849    18.165    18.825  5.1516  19.394  3.6302  -0.5694923     6.302193 
1 1 1 -28 -1  27 o 29.161  2.6818  126.639   19.196    123.444   32.686    128.321   23.716    28.361  4.4493  29.961  2.9955  -1.599684      5.363665 
1 1 1 -28 -1  28 o 31.344  2.7894  151.082   20.930    135.091   36.108    159.174   25.684    29.294  4.7656  33.394  2.9003  -4.099848      5.578777 
1 1 1 -28 -1  29 o 23.243  3.4562  80.205    20.862    0.0000    0.0000    80.205    20.862    ?       ?       23.243  3.4562  ?              ?        
1 1 1 -28 -1  30 o 8.1937  2.6035  -3.8136   11.895    -17.2796  20.997    2.5503    14.435    7.9654  3.7603  8.4221  3.6018  -0.4566088     5.206992 
1 1 1 -28 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   9  o 37.000  1.9032  194.881   17.863    162.203   28.316    216.483   23.022    34.146  3.1309  39.854  2.1647  -5.708389      3.806376 
1 1 1 -28 0   10 o 32.597  1.8170  144.925   15.386    152.030   24.699    140.420   19.668    33.165  2.8068  32.028  2.3082  1.137005       3.633952 
1 1 1 -28 0   11 o 30.908  1.8440  131.156   14.791    134.090   23.574    129.252   18.995    31.106  2.8616  30.711  2.3264  0.3947163      3.687979 
1 1 1 -28 0   12 o 61.526  2.0756  530.300   33.443    471.724   50.750    575.259   44.461    58.226  3.2673  64.825  2.5607  -6.598793      4.151162 
1 1 1 -28 0   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 0   14 f 12.234  2.2758  22.646    7.6332    14.875    12.793    26.942    9.5120    10.682  3.6844  13.787  2.6723  -3.104954      4.551507 
1 1 1 -28 0   15 o 11.153  2.4757  17.689    8.1828    13.486    13.909    19.914    10.119    10.535  3.8216  11.770  3.1484  -1.234999      4.951476 
1 1 1 -28 0   16 o 19.820  2.3181  57.194    11.255    52.192    18.825    59.976    14.041    18.896  3.8500  20.743  2.5830  -1.846882      4.636266 
1 1 1 -28 0   17 o 26.082  2.2493  99.187    14.347    86.006    23.910    106.602   17.934    24.390  3.7825  27.774  2.4353  -3.383371      4.498679 
1 1 1 -28 0   18 o 26.147  2.2299  98.271    14.370    91.567    24.229    101.908   17.848    25.180  3.7031  27.114  2.4852  -1.934221      4.459716 
1 1 1 -28 0   19 o 13.142  2.6088  27.186    10.168    11.224    17.690    35.062    12.426    10.692  4.2083  15.593  3.0845  -4.901043      5.217688 
1 1 1 -28 0   20 o 14.713  2.7759  29.318    10.694    43.442    18.887    22.654    12.974    16.975  4.1813  12.451  3.6524  4.524252       5.551853 
1 1 1 -28 0   21 o 5.2961  2.4961  -9.5692   9.1833    0.0000    0.0000    -9.5692   9.1833    ?       ?       5.2961  2.4961  ?              ?        
1 1 1 -28 0   22 o 44.342  2.5772  288.459   29.620    339.432   40.970    232.641   42.873    48.945  3.1417  39.738  4.0862  9.206882       5.154386 
1 1 1 -28 0   23 o 19.782  2.9218  55.358    14.327    73.149    25.158    46.821    17.429    21.865  4.4472  17.698  3.7908  4.166447       5.843631 
1 1 1 -28 0   24 f 25.048  2.6128  89.562    16.138    101.042   28.132    83.931    19.702    25.914  4.1964  24.182  3.1141  1.732063       5.225636 
1 1 1 -28 0   25 o 27.012  2.6397  107.138   17.482    108.133   30.052    106.629   21.493    26.678  4.3561  27.346  2.9827  -0.6684532     5.279372 
1 1 1 -28 0   26 o 25.552  2.7524  96.601    17.214    99.175    29.630    95.290    21.150    25.370  4.5263  25.735  3.1330  -0.3642998     5.504850 
1 1 1 -28 0   27 o 13.612  3.2119  28.216    13.388    23.774    24.073    30.204    16.108    13.180  4.9817  14.044  4.0555  -0.8640184     6.423727 
1 1 1 -28 0   28 o 8.8746  2.7652  -0.2482   11.915    -0.9490   21.646    0.0564    14.272    9.6427  4.2616  8.1065  3.5247  1.536121       5.530356 
1 1 1 -28 0   29 o 9.1839  3.7934  6.3246    15.157    0.0000    0.0000    6.3246    15.157    ?       ?       9.1839  3.7934  ?              ?        
1 1 1 -28 0   30 o 12.980  3.3732  21.390    14.137    39.390    26.989    14.583    16.597    15.253  5.3463  10.706  4.1147  4.547299       6.746367 
1 1 1 -28 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 1   10 o 37.404  1.8032  189.374   17.644    206.448   28.128    178.297   22.656    38.714  2.7301  36.095  2.3563  2.618504       3.606344 
1 1 1 -28 1   11 o 26.749  2.0141  104.873   13.207    79.119    20.990    121.751   16.993    23.644  3.4133  29.855  2.1391  -6.211103      4.028203 
1 1 1 -28 1   12 o 19.027  1.9195  49.298    9.3227    57.254    15.077    44.374    11.862    20.215  2.8647  17.838  2.5558  2.376740       3.839061 
1 1 1 -28 1   13 o 36.704  1.8122  185.938   17.376    182.377   27.116    188.419   22.633    36.305  2.8104  37.104  2.2885  -0.7989845     3.624315 
1 1 1 -28 1   14 o 15.384  4.4176  34.883    19.161    34.883    19.161    0.0000    0.0000    15.384  4.4176  ?       ?       ?              ?        
1 1 1 -28 1   15 o 13.007  2.4626  21.825    8.7047    36.150    14.776    14.211    10.773    15.760  3.5815  10.254  3.3808  5.506351       4.925146 
1 1 1 -28 1   16 o 23.647  2.4872  89.540    13.414    53.996    22.202    109.974   16.834    19.003  4.4416  28.291  2.2398  -9.287498      4.974443 
1 1 1 -28 1   17 o 54.154  1.9807  404.992   28.179    413.474   44.215    399.191   36.568    54.435  3.0447  53.872  2.5343  0.5638542      3.961402 
1 1 1 -28 1   18 o 25.925  2.2686  96.440    14.563    91.475    24.424    99.179    18.140    25.139  3.7412  26.711  2.5672  -1.571352      4.537248 
1 1 1 -28 1   19 o 20.685  2.4422  60.501    12.462    66.465    21.429    57.453    15.318    21.248  3.9094  20.123  2.9279  1.125086       4.884300 
1 1 1 -28 1   20 o 6.9807  2.1222  0.8242    6.7193    -6.5307   13.325    3.3322    7.7810    7.0999  3.2236  6.8616  2.7609  0.2383718      4.244330 
1 1 1 -28 1   21 o 24.270  2.6585  76.238    15.105    111.828   30.260    64.426    17.432    27.364  4.2679  21.176  3.1710  6.187492       5.316933 
1 1 1 -28 1   22 o 22.807  2.9342  77.013    17.165    93.576    25.840    63.932    22.963    25.117  3.9730  20.496  4.3190  4.620975       5.868438 
1 1 1 -28 1   23 o 24.104  2.7310  87.917    15.869    80.023    27.181    91.999    19.546    22.768  4.6150  25.441  2.9213  -2.673166      5.461915 
1 1 1 -28 1   24 o 42.467  2.2547  252.792   24.790    278.776   40.615    237.363   31.296    43.931  3.4802  41.003  2.8676  2.927410       4.509426 
1 1 1 -28 1   25 o 20.374  2.9277  57.577    14.865    86.380    25.998    43.587    18.119    23.856  4.2233  16.892  4.0559  6.963589       5.855438 
1 1 1 -28 1   26 o 14.017  3.0334  23.738    12.213    49.722    22.459    12.829    14.553    17.732  4.6656  10.302  3.8780  7.429957       6.066853 
1 1 1 -28 1   27 o 9.2185  2.8012  2.2451    11.315    6.8809    21.331    0.4300    13.348    10.504  4.4304  7.9334  3.4289  2.570268       5.602311 
1 1 1 -28 1   28 o 11.414  3.1556  15.840    13.515    10.859    24.445    18.033    16.219    11.404  4.7727  11.423  4.1294  -0.1912308E-01 6.311128 
1 1 1 -28 1   29 o 8.6120  3.6560  3.3257    14.676    0.0000    0.0000    3.3257    14.676    ?       ?       8.6120  3.6560  ?              ?        
1 1 1 -28 1   30 o 15.706  3.4303  38.748    15.071    51.861    26.741    32.643    18.245    17.211  5.2891  14.200  4.3697  3.010876       6.860671 
1 1 1 -28 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   11 o 11.995  2.0370  21.165    6.3346    17.501    10.542    23.235    7.9248    11.135  3.2996  12.855  2.3895  -1.719967      4.073971 
1 1 1 -28 2   12 o 32.297  1.7915  142.978   15.110    146.767   23.760    140.405   19.580    32.581  2.7483  32.014  2.2988  0.5669365      3.582957 
1 1 1 -28 2   13 o 17.544  2.0676  41.090    9.1324    56.384    15.101    32.271    11.467    20.035  2.8983  15.052  2.9496  4.982749       4.135198 
1 1 1 -28 2   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   15 o 8.1905  1.8660  5.7729    6.5547    -19.9010  11.696    17.528    7.9143    5.3093  2.5825  11.072  2.6943  -5.762247      3.732074 
1 1 1 -28 2   16 o 48.586  1.9384  325.039   24.665    335.701   38.980    317.920   31.852    49.108  2.9775  48.064  2.4826  1.043999       3.876704 
1 1 1 -28 2   17 o 35.815  2.0198  179.051   18.588    177.719   30.212    179.862   23.578    35.524  3.2099  36.106  2.4525  -0.5820084     4.039577 
1 1 1 -28 2   18 o 16.203  2.6203  38.001    10.669    40.686    18.388    36.638    13.099    16.483  4.1636  15.924  3.1825  0.5585432      5.240614 
1 1 1 -28 2   19 o 30.508  2.1654  128.719   16.872    142.162   28.178    121.206   21.065    31.561  3.3861  29.455  2.7001  2.106312       4.330864 
1 1 1 -28 2   20 o 20.435  2.5393  57.155    12.934    77.439    22.159    46.672    15.930    23.004  3.7235  17.867  3.4537  5.136795       5.078674 
1 1 1 -28 2   21 f 32.317  2.7182  146.420   23.310    0.0000    0.0000    146.420   23.310    ?       ?       32.317  2.7182  ?              ?        
1 1 1 -28 2   22 o 35.988  2.3085  186.171   21.116    181.519   34.667    188.914   26.624    35.285  3.7243  36.691  2.7286  -1.406590      4.616946 
1 1 1 -28 2   23 o 13.072  2.6027  15.300    10.828    51.947    19.237    -1.6927   13.099    18.538  3.9924  7.6068  3.3403  10.93069       5.205475 
1 1 1 -28 2   24 o 33.586  2.3275  157.757   20.030    181.597   33.484    144.473   24.995    35.299  3.5915  31.873  2.9616  3.425301       4.655090 
1 1 1 -28 2   25 o 31.708  2.4674  145.362   19.693    149.856   33.048    142.887   24.522    31.717  3.9776  31.700  2.9209  0.1692581E-01  4.934888 
1 1 1 -28 2   26 o 28.387  2.6224  116.152   18.705    130.395   31.677    108.528   23.177    29.386  4.1393  27.389  3.2208  1.996290       5.244780 
1 1 1 -28 2   27 o 24.083  2.9986  91.706    17.437    80.508    29.665    97.618    21.554    22.228  5.0920  25.939  3.1682  -3.711267      5.997146 
1 1 1 -28 2   28 o 21.675  3.2020  76.772    17.039    67.493    29.656    81.344    20.818    19.915  5.4162  23.435  3.4170  -3.519857      6.404019 
1 1 1 -28 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 2   30 o 30.708  2.7953  142.036   21.507    163.088   36.782    131.099   26.512    31.876  4.4276  29.540  3.4135  2.336058       5.590687 
1 1 1 -28 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   11 o 28.074  1.7329  106.199   12.725    122.206   20.117    95.521    16.430    29.784  2.5461  26.364  2.3514  3.419277       3.465785 
1 1 1 -28 3   12 o 39.867  1.8139  220.629   18.874    206.873   29.213    230.484   24.728    38.669  2.8404  41.064  2.2568  -2.395336      3.627802 
1 1 1 -28 3   13 o 17.808  2.0236  42.491    9.0899    55.963    15.048    34.750    11.406    19.953  2.9007  15.664  2.8224  4.288624       4.047192 
1 1 1 -28 3   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 3   15 o 32.061  1.9467  141.770   16.063    146.734   26.215    138.785   20.326    32.378  3.0591  31.744  2.4085  0.6341610      3.893450 
1 1 1 -28 3   16 o 37.003  1.9680  188.362   18.854    198.638   30.631    182.095   23.923    37.672  3.0622  36.335  2.4728  1.336849       3.935972 
1 1 1 -28 3   17 o 27.684  2.4571  118.383   15.917    82.382    26.168    139.526   20.054    23.567  4.3041  31.802  2.3713  -8.235668      4.914120 
1 1 1 -28 3   18 o 8.0316  2.4075  1.3379    8.4166    4.5501    14.959    -0.1500   10.181    9.0761  3.7603  6.9872  3.0074  2.088870       4.815012 
1 1 1 -28 3   19 o 10.375  2.4655  14.296    9.1203    -2.1637   15.777    22.557    11.177    8.3291  3.6615  12.420  3.3027  -4.090768      4.930948 
1 1 1 -28 3   20 o 20.152  2.8103  66.917    13.849    41.207    23.217    81.117    17.254    16.303  4.9117  24.000  2.7327  -7.697306      5.620700 
1 1 1 -28 3   21 o 19.938  3.1416  57.319    16.222    0.0000    0.0000    57.319    16.222    ?       ?       19.938  3.1416  ?              ?        
1 1 1 -28 3   22 o 24.465  2.5392  85.338    15.671    97.298    26.030    78.538    19.626    25.600  3.9209  23.329  3.2273  2.271025       5.078305 
1 1 1 -28 3   23 o 12.312  2.8527  22.613    11.084    13.787    18.799    27.315    13.723    11.132  4.3511  13.493  3.6905  -2.361028      5.705434 
1 1 1 -28 3   24 o 28.165  2.5145  114.538   17.844    121.951   29.767    110.380   22.293    28.566  4.0000  27.763  3.0480  0.8027706      5.028968 
1 1 1 -28 3   25 o 16.851  3.1051  41.378    13.622    56.112    23.555    33.974    16.696    18.825  4.6891  14.877  4.0716  3.948090       6.210102 
1 1 1 -28 3   26 o 43.255  2.3264  266.430   26.089    288.727   42.389    252.835   33.100    44.391  3.5960  42.120  2.9526  2.271309       4.652875 
1 1 1 -28 3   27 o 32.431  2.6927  159.921   21.541    146.692   35.826    167.413   26.959    30.711  4.4878  34.151  2.9769  -3.440590      5.385365 
1 1 1 -28 3   28 o 14.199  3.2337  32.454    13.812    27.216    24.106    35.014    16.853    13.478  5.0071  14.920  4.0935  -1.442156      6.467490 
1 1 1 -28 3   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   11 o 49.180  1.8674  335.244   24.104    313.688   36.950    351.214   31.804    47.626  2.9105  50.734  2.3404  -3.107841      3.734792 
1 1 1 -28 4   12 o 26.372  1.7519  93.057    12.025    113.058   19.259    80.279    15.394    28.623  2.5384  24.121  2.4152  4.502438       3.503840 
1 1 1 -28 4   13 o 57.449  1.8972  450.951   28.919    474.454   44.467    433.725   38.069    58.653  2.8305  56.244  2.5270  2.408478       3.794399 
1 1 1 -28 4   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   15 f 28.737  2.0368  115.461   14.892    114.906   24.446    115.788   18.778    28.517  3.2590  28.956  2.4440  -0.4389687     4.073640 
1 1 1 -28 4   16 o 23.147  2.2148  72.340    12.985    91.713    21.839    61.747    16.149    25.401  3.2870  20.894  2.9693  4.507486       4.429544 
1 1 1 -28 4   17 o 33.944  2.0916  162.380   18.156    158.069   29.522    165.003   23.024    33.365  3.3486  34.522  2.5071  -1.157219      4.183150 
1 1 1 -28 4   18 o 13.575  2.5751  25.087    9.1314    34.888    16.111    20.449    11.083    15.292  3.9163  11.859  3.3445  3.432249       5.150105 
1 1 1 -28 4   19 o 13.896  2.8115  28.078    10.581    31.183    18.182    26.488    13.012    14.406  4.3480  13.385  3.5654  1.020880       5.622905 
1 1 1 -28 4   20 f 37.522  2.2281  202.161   21.378    191.002   34.454    209.147   27.261    36.351  3.5853  38.693  2.6463  -2.341728      4.456164 
1 1 1 -28 4   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 4   22 o 20.645  2.7322  62.654    14.002    67.790    23.654    59.885    17.372    21.025  4.3441  20.265  3.3150  0.7597542      5.464455 
1 1 1 -28 4   23 o 32.385  2.3058  144.542   19.187    180.741   32.030    124.280   23.963    35.313  3.4296  29.456  3.0829  5.856667       4.611529 
1 1 1 -28 4   24 o 13.405  3.1005  23.829    12.366    39.020    21.727    16.549    15.040    15.720  4.7548  11.090  3.9806  4.630213       6.201082 
1 1 1 -28 4   25 o 17.306  3.1305  43.555    13.922    59.800    24.517    35.824    16.913    19.364  4.7605  15.248  4.0666  4.116635       6.260931 
1 1 1 -28 4   26 o 18.076  3.2215  52.363    15.000    49.693    26.409    53.635    18.226    17.320  5.2429  18.833  3.7449  -1.512991      6.443068 
1 1 1 -28 4   27 o 18.814  3.2790  56.492    15.853    58.787    27.050    55.291    19.566    18.708  5.2070  18.920  3.9867  -0.2112446     6.557972 
1 1 1 -28 4   28 o 27.355  2.8832  113.181   19.215    123.301   33.797    108.347   23.358    27.629  4.7375  27.081  3.2875  0.5474873      5.766420 
1 1 1 -28 4   29 o 20.462  5.6671  76.178    32.124    76.178    32.124    0.0000    0.0000    20.462  5.6671  ?       ?       ?              ?        
1 1 1 -28 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   11 o 21.893  1.8333  67.429    10.148    62.982    16.319    70.234    12.959    21.173  2.9583  22.614  2.1660  -1.440372      3.666509 
1 1 1 -28 5   12 o 45.864  1.8332  289.958   22.028    287.371   34.418    291.754   28.669    45.569  2.8339  46.159  2.3263  -0.5895119     3.666389 
1 1 1 -28 5   13 o 11.733  2.2718  20.253    7.1595    16.706    12.603    21.943    8.6995    11.067  3.6571  12.400  2.6962  -1.333184      4.543541 
1 1 1 -28 5   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   15 o 9.4813  2.3949  11.337    7.6727    5.0666    13.794    14.147    9.2328    8.9071  3.6421  10.055  3.1108  -1.148423      4.789750 
1 1 1 -28 5   16 o 16.243  2.5709  37.820    10.492    41.918    17.921    35.684    12.941    16.774  4.0374  15.713  3.1840  1.061565       5.141881 
1 1 1 -28 5   17 o 30.279  2.0790  124.961   16.309    149.054   26.530    110.325   20.677    32.499  3.0847  28.059  2.7882  4.440336       4.158000 
1 1 1 -28 5   18 o 10.172  2.4698  13.893    8.6710    1.9372    15.201    19.660    10.557    8.7200  3.7118  11.625  3.2591  -2.904628      4.939581 
1 1 1 -28 5   19 o 20.390  2.6106  63.576    12.991    53.196    21.652    69.415    16.238    18.637  4.4068  22.144  2.8003  -3.506569      5.221241 
1 1 1 -28 5   20 o 18.356  2.7232  49.151    12.470    55.157    21.256    45.999    15.397    18.997  4.2800  17.715  3.3682  1.282703       5.446361 
1 1 1 -28 5   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 5   22 o 17.964  2.7897  43.049    12.841    75.963    22.442    27.030    15.657    22.546  3.8547  13.381  4.0339  9.165056       5.579467 
1 1 1 -28 5   23 o 33.124  2.4546  163.256   20.317    145.848   33.092    173.787   25.739    31.184  4.0580  35.063  2.7630  -3.878960      4.909299 
1 1 1 -28 5   24 o 18.531  3.0163  51.084    14.197    62.344    23.924    44.964    17.639    19.896  4.5837  17.166  3.9221  2.729383       6.032688 
1 1 1 -28 5   25 o 17.828  3.1638  48.937    14.433    54.243    25.164    46.335    17.619    18.236  5.0016  17.421  3.8759  0.8155289      6.327556 
1 1 1 -28 5   26 o 19.891  3.1518  57.389    15.733    83.389    27.642    44.931    19.134    22.875  4.6695  16.906  4.2345  5.968616       6.303554 
1 1 1 -28 5   27 o 13.971  3.3587  29.404    14.168    36.102    25.575    26.438    17.018    14.877  5.2049  13.064  4.2465  1.812418       6.717431 
1 1 1 -28 5   28 o 21.769  3.6548  72.372    20.555    0.0000    0.0000    72.372    20.555    ?       ?       21.769  3.6548  ?              ?        
1 1 1 -28 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 6   11 o 29.804  1.8100  123.443   13.868    119.379   22.276    126.016   17.722    29.280  2.8775  30.328  2.1965  -1.048212      3.620021 
1 1 1 -28 6   12 o 6.9104  1.9514  1.7908    5.0605    8.1636    9.6053    -0.6578   5.9539    8.5406  3.1631  5.2803  2.2862  3.260245       3.902790 
1 1 1 -28 6   13 o 11.078  1.9641  10.620    6.5718    36.597    12.040    -0.4023   7.8432    16.032  2.9110  6.1233  2.6376  9.909027       3.928212 
1 1 1 -28 6   14 o 23.703  2.0793  75.887    12.569    93.105    20.946    66.199    15.712    25.680  3.1085  21.725  2.7625  3.954254       4.158601 
1 1 1 -28 6   15 o 54.319  2.0501  409.849   29.341    415.756   45.498    405.644   38.390    54.448  3.1329  54.189  2.6450  0.2598801      4.100156 
1 1 1 -28 6   16 o 41.379  1.9791  232.615   21.491    278.036   34.101    202.688   27.680    44.614  2.8689  38.145  2.7272  6.469559       3.958266 
1 1 1 -28 6   17 o 25.192  2.4496  96.850    14.771    73.269    24.068    111.099   18.708    22.127  4.2148  28.258  2.4974  -6.130754      4.899152 
1 1 1 -28 6   18 o 35.277  2.0882  173.649   19.139    185.083   30.688    166.370   24.483    36.061  3.2108  34.493  2.6709  1.568203       4.176457 
1 1 1 -28 6   19 o 11.079  2.6697  16.915    9.1633    15.955    16.062    17.378    11.157    11.165  4.0981  10.993  3.4228  0.1724157      5.339429 
1 1 1 -28 6   20 o 28.834  2.2958  117.654   17.002    128.831   27.632    110.846   21.568    29.745  3.5376  27.924  2.9272  1.821871       4.591650 
1 1 1 -28 6   21 o 19.687  3.0734  59.481    15.736    65.171    23.348    54.745    21.301    20.549  4.3762  18.825  4.3165  1.723158       6.146842 
1 1 1 -28 6   22 o 19.889  2.8376  56.667    14.139    75.119    24.019    46.882    17.490    22.173  4.1980  17.605  3.8190  4.568438       5.675241 
1 1 1 -28 6   23 o 31.015  2.5024  141.253   19.472    139.718   32.356    142.124   24.381    30.461  4.0673  31.569  2.9163  -1.107426      5.004759 
1 1 1 -28 6   24 o 13.845  3.0855  30.411    12.912    20.631    22.700    35.088    15.700    12.550  4.8149  15.140  3.8599  -2.589259      6.171032 
1 1 1 -28 6   25 o 16.089  3.1982  42.527    14.195    34.341    24.981    46.431    17.251    14.739  5.1449  17.438  3.8006  -2.699351      6.396413 
1 1 1 -28 6   26 f 27.918  2.8539  119.868   19.388    116.433   33.138    121.656   23.907    26.939  4.7669  28.897  3.1392  -1.957987      5.707723 
1 1 1 -28 6   27 o 12.397  3.2582  20.439    13.678    30.676    24.187    15.626    16.584    13.898  5.0398  10.896  4.1308  3.001700       6.516425 
1 1 1 -28 6   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   11 o 20.416  2.2101  63.048    10.680    47.602    17.938    71.529    13.292    18.038  3.8311  22.794  2.2048  -4.756136      4.420241 
1 1 1 -28 7   12 o 6.2489  1.9048  -0.4831   5.8145    -10.6997  11.140    3.3425    6.8167    5.9333  2.7815  6.5646  2.6033  -0.6312704     3.809695 
1 1 1 -28 7   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   14 o 27.675  2.1139  108.778   14.802    103.698   24.105    111.854   18.755    26.945  3.4167  28.405  2.4902  -1.459875      4.227882 
1 1 1 -28 7   15 o 35.078  1.9794  164.919   18.049    216.683   29.035    132.318   23.043    39.422  2.7673  30.734  2.8309  8.688007       3.958797 
1 1 1 -28 7   16 o 23.788  2.2174  77.763    13.438    94.176    22.237    68.319    16.867    25.636  3.3162  21.939  2.9446  3.696508       4.434831 
1 1 1 -28 7   17 o 38.155  2.0924  206.168   20.688    200.516   32.732    209.928   26.697    37.490  3.2930  38.820  2.5823  -1.330574      4.184759 
1 1 1 -28 7   18 o 31.916  2.1561  144.189   17.759    147.562   28.456    142.037   22.728    32.023  3.3681  31.810  2.6929  0.2133484      4.312274 
1 1 1 -28 7   19 o 41.076  2.1203  235.331   22.809    262.235   36.215    217.642   29.365    42.858  3.1774  39.295  2.8085  3.562450       4.240701 
1 1 1 -28 7   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 7   21 o 10.477  2.8452  12.878    10.869    10.163    19.002    14.198    13.250    10.569  4.2928  10.384  3.7353  0.1855507      5.690382 
1 1 1 -28 7   22 o 19.908  2.9185  62.582    14.318    54.792    24.620    66.564    17.600    18.425  4.9028  21.390  3.1677  -2.965265      5.837089 
1 1 1 -28 7   23 o 25.166  2.5971  89.682    16.340    111.134   28.133    78.761    20.073    27.143  3.9886  23.189  3.3272  3.953972       5.194161 
1 1 1 -28 7   24 o 8.7833  2.6637  1.2999    10.354    8.2831    18.943    -1.6754   12.365    10.227  4.2339  7.3397  3.2335  2.887327       5.327431 
1 1 1 -28 7   25 o 44.511  2.4917  296.751   28.082    273.740   45.763    310.649   35.565    42.406  4.0793  46.616  2.8622  -4.209789      4.983308 
1 1 1 -28 7   26 o 30.355  2.8797  144.958   20.898    131.596   36.024    151.736   25.656    28.372  4.9187  32.337  2.9961  -3.965912      5.759340 
1 1 1 -28 7   27 o 29.432  3.5228  141.983   22.467    147.051   46.123    140.406   25.726    28.027  6.2976  30.837  3.1592  -2.810629      7.045588 
1 1 1 -28 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 8   10 o 38.179  2.6980  216.289   25.816    166.892   39.487    253.164   34.117    33.744  4.4797  42.614  3.0083  -8.870792      5.396053 
1 1 1 -28 8   11 o 10.354  2.3232  13.789    6.7653    18.447    12.420    11.824    8.0673    11.447  3.6183  9.2611  2.9149  2.186232       4.646349 
1 1 1 -28 8   12 o 70.693  2.1953  695.738   41.182    710.369   62.871    684.742   54.503    71.158  3.2987  70.228  2.8975  0.9302292      4.390510 
1 1 1 -28 8   13 o 37.033  3.1741  193.347   31.181    193.347   31.181    0.0000    0.0000    37.033  3.1741  ?       ?       ?              ?        
1 1 1 -28 8   14 o 19.037  2.3362  48.726    11.125    69.688    18.801    37.432    13.800    22.041  3.2850  16.033  3.3227  6.007988       4.672426 
1 1 1 -28 8   15 o 14.629  2.5009  35.192    10.282    14.136    17.178    46.947    12.835    11.052  4.2008  18.206  2.7150  -7.153993      5.001799 
1 1 1 -28 8   16 o 12.163  2.6072  21.696    9.0052    19.868    15.466    22.633    11.077    11.909  4.0527  12.416  3.2811  -0.5076027     5.214418 
1 1 1 -28 8   17 o 19.607  2.5341  55.152    12.436    62.878    20.718    50.801    15.549    20.511  3.9140  18.703  3.2199  1.807686       5.068265 
1 1 1 -28 8   18 o 18.690  2.6649  54.084    12.301    45.789    20.744    58.583    15.278    17.154  4.4697  20.226  2.9032  -3.072231      5.329854 
1 1 1 -28 8   19 o 21.807  2.5762  69.341    14.031    74.863    23.339    66.215    17.557    22.239  4.0680  21.375  3.1621  0.8644791      5.152442 
1 1 1 -28 8   20 f 28.056  3.9083  117.633   28.572    117.633   28.572    0.0000    0.0000    28.056  3.9083  ?       ?       ?              ?        
1 1 1 -28 8   21 o 15.941  3.0342  40.976    13.087    33.069    22.613    44.958    16.048    14.570  4.9007  17.313  3.5789  -2.743016      6.068386 
1 1 1 -28 8   22 o 10.164  2.8620  8.9588    10.860    17.108    19.946    5.5247    12.948    11.703  4.5074  8.6256  3.5280  3.077565       5.723942 
1 1 1 -28 8   23 o 20.986  2.9423  65.798    15.241    75.689    26.430    60.870    18.656    21.805  4.6664  20.166  3.5852  1.638365       5.884639 
1 1 1 -28 8   24 o 17.876  3.1161  46.428    13.999    66.017    25.431    37.911    16.768    20.155  4.7826  15.596  3.9959  4.559083       6.232227 
1 1 1 -28 8   25 o 25.993  2.8728  102.220   18.301    111.269   31.758    97.720    22.394    26.301  4.6796  25.686  3.3335  0.6146851      5.745542 
1 1 1 -28 8   26 o 18.464  3.3305  56.213    15.702    58.220    28.351    55.325    18.858    18.111  5.4211  18.817  3.8707  -0.7059422     6.661100 
1 1 1 -28 8   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   10 o 12.877  2.4354  23.361    8.2545    27.079    14.065    21.408    10.195    13.590  3.7441  12.163  3.1155  1.426887       4.870825 
1 1 1 -28 9   11 o 24.467  2.1442  84.292    13.288    85.640    21.727    83.487    16.795    24.461  3.4089  24.473  2.6020  -0.1278305E-01 4.288434 
1 1 1 -28 9   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   13 o 26.574  2.1303  97.648    14.559    110.399   23.710    89.929    18.447    27.841  3.2400  25.306  2.7666  2.534853       4.260526 
1 1 1 -28 9   14 o 30.158  2.1787  130.317   16.680    123.023   26.974    134.833   21.224    29.212  3.5182  31.103  2.5707  -1.891268      4.357327 
1 1 1 -28 9   15 o 9.0637  2.0738  10.072    7.3045    -12.1750  13.272    19.738    8.7487    6.4652  3.0325  11.662  2.8296  -5.196935      4.147631 
1 1 1 -28 9   16 o 16.723  2.5985  39.405    10.877    50.589    18.820    33.795    13.330    18.323  3.9510  15.123  3.3762  3.199777       5.197004 
1 1 1 -28 9   17 o 9.9817  2.4462  6.3478    8.3445    27.463    15.243    -2.6884   9.9714    13.494  3.9591  6.4695  2.8742  7.024323       4.892397 
1 1 1 -28 9   18 o 24.859  2.5029  91.383    15.318    88.408    25.753    93.011    19.055    24.154  4.1289  25.564  2.8303  -1.409374      5.005871 
1 1 1 -28 9   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 9   20 o 30.907  2.3216  133.959   18.339    158.553   30.786    120.432   22.831    32.842  3.5566  28.972  2.9849  3.869678       4.643161 
1 1 1 -28 9   21 o 17.261  2.9916  43.967    13.001    55.115    23.214    38.873    15.693    18.547  4.6746  15.975  3.7345  2.571743       5.983183 
1 1 1 -28 9   22 o 32.109  2.4501  149.190   19.817    159.766   33.584    143.540   24.546    32.577  3.9281  31.640  2.9295  0.9367161      4.900259 
1 1 1 -28 9   23 f 27.004  2.7768  111.895   18.172    106.233   31.088    114.834   22.396    25.835  4.6643  28.174  3.0145  -2.339785      5.553636 
1 1 1 -28 9   24 o 7.3335  2.3722  -5.2023   9.7853    -17.5101  19.252    -0.9149   11.363    7.5524  3.5760  7.1145  3.1179  0.4378757      4.744350 
1 1 1 -28 9   25 o 30.819  2.7557  145.774   20.700    145.775   35.863    145.773   25.349    30.058  4.6009  31.580  3.0342  -1.521656      5.511333 
1 1 1 -28 9   26 o 12.263  4.1195  23.644    15.978    0.0000    0.0000    23.644    15.978    ?       ?       12.263  4.1195  ?              ?        
1 1 1 -28 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 10  9  o 21.548  2.4363  66.895    13.186    45.382    17.972    91.975    19.405    17.505  3.9295  25.591  2.8811  -8.086094      4.872580 
1 1 1 -28 10  10 o 26.220  2.0631  96.013    13.960    100.457   22.204    93.109    17.951    26.607  3.1785  25.833  2.6311  0.7740116      4.126176 
1 1 1 -28 10  11 o 24.817  2.1730  87.454    13.738    86.906    22.005    87.804    17.585    24.583  3.4358  25.051  2.6616  -0.4682255     4.346089 
1 1 1 -28 10  12 o 21.150  2.4219  66.144    12.540    59.852    20.893    69.687    15.677    20.035  4.0328  22.264  2.6829  -2.229006      4.843713 
1 1 1 -28 10  13 o 16.907  2.5941  43.141    10.912    39.325    18.795    45.082    13.403    16.070  4.2872  17.744  2.9218  -1.673965      5.188116 
1 1 1 -28 10  14 o 26.839  2.1847  97.594    14.961    125.837   25.161    82.146    18.608    29.651  3.2198  24.027  2.9536  5.624256       4.369322 
1 1 1 -28 10  15 o 36.457  2.1415  187.651   20.128    194.014   32.701    183.770   25.540    36.712  3.3629  36.201  2.6524  0.5112686      4.282979 
1 1 1 -28 10  16 o 11.824  2.3064  21.768    9.5731    -7.5079   16.857    35.702    11.630    7.9359  3.6119  15.712  2.8693  -7.775980      4.612894 
1 1 1 -28 10  17 o 12.633  2.7607  24.017    9.9720    21.339    17.818    25.238    12.033    12.269  4.3402  12.996  3.4129  -0.7269402     5.521336 
1 1 1 -28 10  18 o 24.985  2.9034  89.420    19.068    0.0000    0.0000    89.420    19.068    ?       ?       24.985  2.9034  ?              ?        
1 1 1 -28 10  19 o 26.075  2.4862  96.898    16.119    112.008   28.009    89.415    19.710    27.253  3.9523  24.897  3.0173  2.355701       4.972392 
1 1 1 -28 10  20 o 26.177  2.5148  91.912    16.233    148.151   28.013    63.477    19.919    31.858  3.3322  20.496  3.7673  11.36213       5.029502 
1 1 1 -28 10  21 o 25.136  2.6136  90.274    16.310    109.790   28.434    80.705    19.911    26.807  4.0894  23.464  3.2559  3.343494       5.227260 
1 1 1 -28 10  22 o 18.054  3.0449  49.191    13.672    58.893    24.733    44.922    16.406    18.945  4.8526  17.162  3.6794  1.783081       6.089801 
1 1 1 -28 10  23 o 12.272  2.8743  23.368    12.619    -2.0949   23.033    34.289    15.085    9.6827  4.3304  14.861  3.7807  -5.177889      5.748612 
1 1 1 -28 10  24 o 10.415  2.9341  12.500    12.249    1.5068    22.666    17.035    14.558    9.9035  4.3698  10.927  3.9169  -1.023647      5.868292 
1 1 1 -28 10  25 o 16.960  3.3553  49.025    15.207    48.081    27.673    49.433    18.201    16.312  5.4205  17.608  3.9558  -1.295647      6.710510 
1 1 1 -28 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 11  8  o 8.2288  2.4746  2.2221    8.9122    -1.3153   16.647    3.6434    10.552    8.6774  3.7891  7.7803  3.1838  0.8970904      4.949142 
1 1 1 -28 11  9  o 44.591  1.9513  276.502   22.992    281.918   34.980    272.382   30.509    44.868  2.9267  44.314  2.5815  0.5534325      3.902571 
1 1 1 -28 11  10 o 46.725  2.0599  304.925   25.351    313.176   39.116    298.949   33.289    47.121  3.1168  46.330  2.6942  0.7907295      4.119854 
1 1 1 -28 11  11 o 31.730  2.4793  145.047   20.655    145.874   28.238    144.095   30.291    31.922  3.3528  31.539  3.6534  0.3828430      4.958693 
1 1 1 -28 11  12 o 10.746  2.5558  13.713    8.2158    23.415    15.023    9.5736    9.8133    12.637  3.9778  8.8539  3.2103  3.783231       5.111652 
1 1 1 -28 11  13 o 13.003  2.6610  25.405    9.4449    22.670    17.052    26.616    11.344    12.557  4.2555  13.450  3.1961  -0.8928118     5.322081 
1 1 1 -28 11  14 o 32.865  2.2203  153.358   18.643    159.432   30.730    149.821   23.451    33.113  3.5187  32.616  2.7088  0.4966202      4.440583 
1 1 1 -28 11  15 o 23.132  2.4403  75.330    14.031    89.571    24.285    68.194    17.190    24.512  3.8238  21.753  3.0329  2.759172       4.880564 
1 1 1 -28 11  16 o 18.913  2.7751  60.185    13.006    37.100    22.238    72.185    16.034    15.305  4.8422  22.521  2.7125  -7.216079      5.550169 
1 1 1 -28 11  17 o 35.028  2.2802  175.034   20.410    187.262   33.930    168.101   25.550    35.661  3.6016  34.394  2.7976  1.266888       4.560495 
1 1 1 -28 11  18 o 21.491  4.5939  73.211    25.642    73.211    25.642    0.0000    0.0000    21.491  4.5939  ?       ?       ?              ?        
1 1 1 -28 11  19 o 25.819  2.6684  100.408   16.678    98.671    28.936    101.272   20.409    25.103  4.4673  26.534  2.9199  -1.431362      5.336896 
1 1 1 -28 11  20 o 33.382  2.3921  155.897   20.170    190.479   35.132    138.894   24.635    35.728  3.7261  31.036  3.0008  4.691587       4.784213 
1 1 1 -28 11  21 o 12.944  3.1379  24.419    12.088    27.650    23.505    23.257    14.095    13.525  4.9585  12.362  3.8468  1.162580       6.275728 
1 1 1 -28 11  22 o 22.201  2.9189  70.003    15.844    101.581   28.675    56.126    19.008    25.348  4.3821  19.053  3.8570  6.294130       5.837710 
1 1 1 -28 11  23 o 14.536  3.2370  27.317    13.595    57.519    25.485    15.303    16.074    18.329  5.0361  10.742  4.0681  7.586956       6.473908 
1 1 1 -28 11  24 o 8.4000  3.7587  -34.0460  7.5986    -2.2475   17.377    -41.5642  8.4492    8.4000  3.7587  ?       ?       ?              ?        
1 1 1 -28 11  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  7  o 26.115  2.2058  85.100    13.333    123.806   27.831    73.570    15.190    29.276  3.6268  22.954  2.5116  6.322109       4.411529 
1 1 1 -28 12  8  o 38.090  1.9449  204.254   19.364    193.980   29.779    211.781   25.489    37.085  3.0243  39.096  2.4464  -2.010845      3.889892 
1 1 1 -28 12  9  o 15.908  2.5301  37.065    10.216    38.795    16.957    36.079    12.800    16.059  3.9658  15.757  3.1429  0.3020754      5.060186 
1 1 1 -28 12  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  11 o 38.186  2.1426  203.734   21.300    222.248   34.206    192.010   27.221    39.415  3.2696  36.956  2.7701  2.459560       4.285295 
1 1 1 -28 12  12 o 24.070  2.3624  81.539    14.318    94.193    24.131    74.662    17.788    25.302  3.6676  22.838  2.9788  2.463394       4.724877 
1 1 1 -28 12  13 o 25.444  2.4108  94.098    15.220    95.308    25.697    93.444    18.890    25.241  3.9289  25.648  2.7950  -0.4076500     4.821597 
1 1 1 -28 12  14 o 23.053  2.5278  76.169    14.309    86.420    25.075    71.219    17.425    23.876  4.0667  22.230  3.0034  1.645823       5.055515 
1 1 1 -28 12  15 o 36.704  2.2563  188.642   21.209    217.350   35.760    173.062   26.343    38.536  3.5027  34.871  2.8453  3.665699       4.512682 
1 1 1 -28 12  16 o 46.327  2.2869  306.896   27.303    325.201   44.945    296.190   34.373    47.009  3.5968  45.645  2.8253  1.364105       4.573779 
1 1 1 -28 12  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 12  18 o 20.251  3.0098  67.950    14.777    53.498    26.483    74.484    17.807    17.851  5.2132  22.651  3.0096  -4.800156      6.019565 
1 1 1 -28 12  19 o 31.969  2.6147  155.639   20.292    142.770   34.742    162.303   24.999    30.240  4.4198  33.699  2.7949  -3.459047      5.229374 
1 1 1 -28 12  20 o 10.771  2.8809  8.4877    10.602    30.375    20.991    0.9926    12.284    13.871  4.7214  7.6706  3.3024  6.200828       5.761786 
1 1 1 -28 12  21 o 22.751  3.0134  81.728    16.461    81.078    29.291    82.029    19.901    21.961  5.0805  23.541  3.2422  -1.580160      6.026873 
1 1 1 -28 12  22 o 26.388  3.0240  112.368   18.713    103.659   33.392    116.356   22.594    24.614  5.2264  28.163  3.0436  -3.549269      6.048030 
1 1 1 -28 12  23 f 11.493  2.8465  19.911    12.622    -10.5382  24.559    30.842    14.715    9.0760  4.2133  13.910  3.8286  -4.834221      5.692953 
1 1 1 -28 12  24 o 5.7387  2.7361  -12.7023  11.665    0.0000    0.0000    -12.7023  11.665    ?       ?       5.7387  2.7361  ?              ?        
1 1 1 -28 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 13  6  o 15.399  2.2930  35.985    8.8536    29.414    14.696    39.730    11.093    14.035  3.8109  16.762  2.5512  -2.726833      4.586000 
1 1 1 -28 13  7  o 21.644  2.2224  69.764    11.832    57.211    18.870    77.896    15.188    19.669  3.7179  23.620  2.4357  -3.950754      4.444720 
1 1 1 -28 13  8  o 17.974  2.5197  49.563    11.225    40.840    18.586    54.572    14.084    16.350  4.2166  19.598  2.7594  -3.248075      5.039306 
1 1 1 -28 13  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 13  10 o 43.296  2.1443  262.951   24.288    284.930   38.592    248.536   31.253    44.594  3.2535  41.998  2.7943  2.596008       4.288695 
1 1 1 -28 13  11 o 26.791  2.4418  105.950   16.141    100.323   27.039    109.065   20.119    25.828  4.0411  27.755  2.7421  -1.927235      4.883575 
1 1 1 -28 13  12 o 17.558  2.7623  53.854    12.643    25.761    22.095    67.531    15.417    13.333  4.8197  21.784  2.7001  -8.450940      5.524518 
1 1 1 -28 13  13 o 38.527  2.3916  218.696   23.169    205.595   38.417    226.185   29.045    37.074  3.9286  39.980  2.7286  -2.906788      4.783182 
1 1 1 -28 13  14 f 27.829  2.4925  112.466   17.119    120.306   29.763    108.589   20.928    28.131  4.0682  27.528  2.8810  0.6031799      4.985003 
1 1 1 -28 13  15 o 27.714  2.6176  113.553   17.751    118.236   30.929    111.253   21.676    27.635  4.3200  27.793  2.9572  -0.1581020     5.235169 
1 1 1 -28 13  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 13  17 o 27.323  2.6651  108.683   17.872    124.529   31.671    101.279   21.648    28.292  4.3160  26.355  3.1277  1.936882       5.330183 
1 1 1 -28 13  18 o 34.120  2.5966  175.415   21.663    169.028   37.465    178.622   26.551    32.938  4.3533  35.302  2.8318  -2.364357      5.193281 
1 1 1 -28 13  19 o 9.1040  2.7686  1.0105    10.266    13.329    21.849    -2.4795   11.630    11.239  4.5882  6.9695  3.0998  4.269175       5.537188 
1 1 1 -28 13  20 o 19.744  3.1577  57.809    15.190    79.258    28.335    49.160    17.994    21.753  4.9717  17.735  3.8946  4.017984       6.315458 
1 1 1 -28 13  21 o 24.322  3.1562  96.038    18.034    93.917    33.048    96.937    21.522    23.114  5.4302  25.531  3.2187  -2.416410      6.312463 
1 1 1 -28 13  22 o 9.8670  2.9388  2.7389    11.304    23.701    24.087    -3.1815   12.801    12.591  4.9241  7.1433  3.2091  5.447534       5.877537 
1 1 1 -28 13  23 o 11.696  3.1779  12.750    12.617    40.734    25.826    3.9771    14.460    14.930  5.2300  8.4617  3.6115  6.467802       6.355790 
1 1 1 -28 14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 14  4  o 35.205  3.4917  203.903   28.952    127.913   44.157    261.206   38.345    27.731  6.1099  42.679  3.3820  -14.94826      6.983438 
1 1 1 -28 14  5  o 18.355  2.2988  50.604    10.371    43.251    17.037    54.932    13.072    16.964  3.8389  19.745  2.5299  -2.780439      4.597538 
1 1 1 -28 14  6  o 18.167  2.3630  44.861    10.734    64.724    18.239    34.337    13.276    21.085  3.3410  15.250  3.3426  5.835279       4.725997 
1 1 1 -28 14  7  o 8.7628  2.3922  5.3574    7.5517    15.356    13.885    1.1571    8.9992    10.743  3.8279  6.7828  2.8702  3.960056       4.784469 
1 1 1 -28 14  8  o 33.655  5.5639  183.545   48.402    183.545   48.402    0.0000    0.0000    33.655  5.5639  ?       ?       ?              ?        
1 1 1 -28 14  9  o 28.624  2.3147  119.021   16.747    116.844   27.368    120.324   21.173    28.099  3.7284  29.148  2.7443  -1.048613      4.629500 
1 1 1 -28 14  10 o 6.9259  2.2333  -5.4154   7.7474    -1.0789   15.821    -6.7832   8.8857    8.3686  3.6730  5.4832  2.5415  2.885401       4.466559 
1 1 1 -28 14  11 o 16.255  2.6750  47.656    12.260    13.995    21.845    63.136    14.814    11.480  4.6236  21.031  2.6915  -9.551430      5.349936 
1 1 1 -28 14  12 o 10.651  2.7541  15.320    9.9112    8.1449    19.280    17.897    11.555    10.259  4.2614  11.043  3.4900  -0.7838049     5.508114 
1 1 1 -28 14  13 o 9.3391  2.6607  3.7585    9.1732    19.215    18.561    -1.2370   10.552    11.838  4.3945  6.8397  3.0009  4.998734       5.321395 
1 1 1 -28 14  14 f 9.2934  2.3120  8.7948    9.3545    -29.1238  18.830    21.219    10.779    6.6950  3.2610  11.892  3.2783  -5.196860      4.623984 
1 1 1 -28 14  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 14  16 o 28.364  2.6860  118.260   18.685    132.533   33.042    111.551   22.655    29.080  4.3779  27.649  3.1133  1.431000       5.372053 
1 1 1 -28 14  17 o 21.100  3.0930  69.216    15.650    74.582    28.910    66.991    18.613    21.020  5.1705  21.179  3.3959  -0.1584892     6.185985 
1 1 1 -28 14  18 o 10.605  2.9886  12.661    11.692    12.186    23.005    12.827    13.576    11.209  4.6552  10.001  3.7493  1.207661       5.977264 
1 1 1 -28 14  19 o 15.900  3.1410  31.202    13.314    72.031    26.338    17.187    15.431    20.772  4.8261  11.028  4.0216  9.743311       6.282020 
1 1 1 -28 14  20 o 10.316  3.0242  8.9672    11.951    17.262    24.481    6.3718    13.693    11.858  4.8507  8.7743  3.6130  3.083840       6.048399 
1 1 1 -28 14  21 o 17.883  3.3531  50.935    14.941    66.127    28.937    45.413    17.446    18.971  5.4230  16.794  3.9454  2.177238       6.706287 
1 1 1 -28 14  22 o 7.8630  2.2817  -3.3021   10.398    -70.7178  22.651    14.696    11.704    5.7345  2.9049  9.9914  3.5193  -4.256844      4.563348 
1 1 1 -28 15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 15  3  o 17.098  2.3724  43.567    10.075    41.097    16.800    44.954    12.591    16.466  3.8738  17.730  2.7397  -1.263863      4.744732 
1 1 1 -28 15  4  o 10.182  2.4119  14.333    8.8105    -4.0596   16.135    22.148    10.517    8.1196  3.6284  12.245  3.1787  -4.125207      4.823814 
1 1 1 -28 15  5  o 29.973  1.9947  122.836   15.474    150.639   25.352    106.327   19.535    32.523  2.9421  27.422  2.6945  5.100386       3.989491 
1 1 1 -28 15  6  o 25.764  4.3417  101.766   28.896    0.0000    0.0000    101.766   28.896    ?       ?       25.764  4.3417  ?              ?        
1 1 1 -28 15  7  o 23.423  2.4887  84.405    13.990    69.468    23.346    92.775    17.476    21.218  4.2559  25.627  2.5811  -4.409166      4.977392 
1 1 1 -28 15  8  o 19.888  2.6962  60.124    13.131    58.609    22.571    60.898    16.144    19.288  4.4582  20.487  3.0337  -1.198494      5.392434 
1 1 1 -28 15  9  o 9.7546  2.6872  10.658    9.5759    7.4883    17.970    11.915    11.317    9.9404  4.1202  9.5688  3.4508  0.3715525      5.374372 
1 1 1 -28 15  10 o 22.607  2.6769  74.819    14.905    85.517    25.846    69.489    18.244    23.461  4.2703  21.753  3.2292  1.707924       5.353754 
1 1 1 -28 15  11 o 27.235  2.4854  103.198   16.942    135.681   29.727    87.570    20.619    30.038  3.7785  24.433  3.2298  5.604269       4.970745 
1 1 1 -28 15  12 o 25.866  3.5856  121.329   19.898    87.555    41.519    131.399   22.672    21.474  6.5890  30.257  2.8304  -8.782509      7.171197 
1 1 1 -28 15  13 o 16.729  3.3612  42.096    13.606    53.497    30.156    39.181    15.246    17.470  5.6505  15.988  3.6417  1.482120       6.722379 
1 1 1 -28 15  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 15  15 o 10.571  3.0367  12.359    12.005    -1.2577   28.483    15.300    13.238    10.657  4.7872  10.485  3.7376  0.1712236      6.073455 
1 1 1 -28 15  16 o 25.577  3.3782  96.271    18.782    127.495   41.077    88.017    21.119    26.819  5.8802  24.334  3.3274  2.485687       6.756380 
1 1 1 -28 15  17 o 14.070  3.2427  32.944    13.701    23.442    27.325    36.136    15.836    12.995  5.1932  15.146  3.8848  -2.150559      6.485453 
1 1 1 -28 15  18 o 12.798  3.2872  22.602    12.947    33.968    26.258    18.951    14.882    14.290  5.2406  11.307  3.9697  2.983223       6.574363 
1 1 1 -28 15  19 o 15.041  3.2056  40.996    14.415    21.553    29.121    47.307    16.590    12.695  5.2520  17.388  3.6770  -4.693340      6.411255 
1 1 1 -28 15  20 o 19.137  3.4701  58.585    16.323    79.919    31.699    50.887    19.041    20.643  5.5937  17.632  4.1081  3.011087       6.940160 
1 1 1 -28 15  21 o 14.757  2.8028  42.206    15.077    -12.3794  28.893    62.629    17.673    9.4560  4.4478  20.058  3.4118  -10.60176      5.605690 
1 1 1 -28 16  1  o 38.409  2.1082  212.139   21.067    202.538   32.734    218.927   27.525    37.389  3.3025  39.429  2.6212  -2.040359      4.216312 
1 1 1 -28 16  2  o 38.171  2.3773  196.143   22.001    252.435   42.210    175.146   25.780    41.191  3.8713  35.151  2.7603  6.040573       4.754584 
1 1 1 -28 16  3  o 20.384  1.9818  59.691    10.514    61.415    14.615    57.842    15.138    20.744  2.6939  20.024  2.9074  0.7204170      3.963596 
1 1 1 -28 16  4  f 34.473  1.8078  167.401   16.572    168.302   23.324    166.482   23.551    34.581  2.5358  34.366  2.5773  0.2156639      3.615625 
1 1 1 -28 16  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 16  6  f 30.654  1.8615  133.064   15.126    127.250   21.028    139.298   21.775    29.947  2.6489  31.362  2.6161  -1.415628      3.722928 
1 1 1 -28 16  7  o 29.497  1.9285  123.991   15.048    122.674   20.776    125.445   21.824    29.367  2.6705  29.626  2.7829  -0.2587719     3.856930 
1 1 1 -28 16  8  o 16.774  2.3864  43.212    10.300    52.284    14.092    32.809    15.091    18.984  2.8602  14.564  3.8209  4.419632       4.772804 
1 1 1 -28 16  9  o 31.155  1.9927  138.880   16.420    128.966   22.603    149.959   23.893    29.949  2.8522  32.362  2.7835  -2.413002      3.985330 
1 1 1 -28 16  10 o 20.521  2.3139  62.663    12.235    64.842    16.741    60.165    17.926    21.032  3.0615  20.010  3.4704  1.022491       4.627842 
1 1 1 -28 16  11 o 18.963  2.4063  54.006    11.766    53.555    16.333    54.494    16.964    18.911  3.3469  19.014  3.4583  -0.1031265     4.812644 
1 1 1 -28 16  12 o 6.3076  1.9744  -2.7849   6.7932    1.7840    9.2614    -8.1057   9.9945    6.9118  2.9175  5.7034  2.6610  1.208419       3.948769 
1 1 1 -28 16  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 16  14 o 7.9181  2.2502  1.9270    8.2804    12.798    11.247    -10.9408  12.236    9.6814  3.4457  6.1548  2.8949  3.526574       4.500333 
1 1 1 -28 16  15 o 16.749  2.6517  43.342    11.668    33.989    15.940    54.141    17.127    14.645  3.9659  18.853  3.5210  -4.208135      5.303377 
1 1 1 -28 16  16 o 32.287  2.1488  152.878   18.352    155.609   25.722    150.045   26.193    32.639  2.9748  31.934  3.1014  0.7058582      4.297511 
1 1 1 -28 16  17 o 7.7208  2.2924  0.9571    8.6892    9.6241    11.593    -10.1523  13.126    8.9677  3.4408  6.4739  3.0299  2.493838       4.584702 
1 1 1 -28 16  18 o 7.9251  2.1567  -1.5571   8.3550    17.430    11.537    -22.4963  12.116    10.715  3.4970  5.1357  2.5251  5.578861       4.313391 
1 1 1 -28 16  19 o 12.715  2.8609  26.490    11.037    29.408    15.284    23.310    15.955    13.387  3.9744  12.042  4.1162  1.344326       5.721817 
1 1 1 -28 17  1  o 16.986  2.1407  42.208    9.3137    33.390    12.754    52.284    13.633    14.929  3.2792  19.044  2.7527  -4.114798      4.281378 
1 1 1 -28 17  2  o 35.097  1.8611  174.752   17.343    163.626   24.345    186.217   24.713    33.904  2.7033  36.290  2.5588  -2.385925      3.722234 
1 1 1 -28 17  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 17  4  o 18.950  2.1649  52.722    10.520    43.654    14.590    62.543    15.183    17.086  3.3076  20.814  2.7940  -3.727640      4.329737 
1 1 1 -28 17  5  o 21.692  2.0428  68.062    11.495    59.014    15.853    78.091    16.691    20.066  3.0452  23.318  2.7237  -3.251595      4.085544 
1 1 1 -28 17  6  o 19.695  2.2443  56.977    11.363    48.312    15.470    67.131    16.747    17.953  3.3399  21.436  2.9988  -3.482697      4.488630 
1 1 1 -28 17  7  o 32.554  1.9671  152.202   16.971    152.918   23.545    151.428   24.485    32.686  2.7138  32.421  2.8484  0.2647972      3.934265 
1 1 1 -28 17  8  f 11.305  2.4150  17.107    8.7180    5.8818    11.674    31.258    13.108    8.3154  3.3692  14.294  3.4608  -5.978592      4.829922 
1 1 1 -28 17  9  o 24.352  2.1931  86.508    13.820    71.858    18.790    103.776   20.399    21.961  3.2961  26.743  2.8940  -4.782187      4.386280 
1 1 1 -28 17  10 o 25.402  2.1763  94.429    14.367    80.144    19.773    110.406   20.911    23.212  3.2711  27.593  2.8714  -4.380877      4.352573 
1 1 1 -28 17  11 o 18.351  2.5553  53.541    11.980    66.335    16.222    38.189    17.769    21.293  2.9212  15.408  4.1934  5.884921       5.110550 
1 1 1 -28 17  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 17  13 o 13.387  2.7651  28.333    10.532    29.417    14.243    27.026    15.646    13.695  3.7657  13.079  4.0500  0.6161757      5.530206 
1 1 1 -28 17  14 o 17.919  2.6763  49.908    12.439    43.426    16.989    57.400    18.263    16.566  3.8944  19.272  3.6720  -2.705826      5.352564 
1 1 1 -28 17  15 o 20.470  2.5371  64.640    13.370    66.909    18.462    62.137    19.388    20.988  3.4006  19.952  3.7661  1.035727       5.074199 
1 1 1 -28 17  16 o 10.401  2.7477  14.806    10.340    11.948    14.415    17.836    14.841    9.8147  3.8173  10.988  3.9531  -1.173066      5.495356 
1 1 1 -28 17  17 o 9.0670  2.5814  8.7134    9.6497    10.552    12.921    6.3945    14.510    9.2884  3.6137  8.8455  3.6873  0.4429522      5.162881 
1 1 1 -28 17  18 o 11.548  2.7528  20.797    10.827    30.188    14.772    9.8981    15.914    13.541  3.8760  9.5542  3.9100  3.986845       5.505576 
1 1 1 -28 18  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 18  2  o 19.868  2.2648  58.527    11.615    56.434    15.790    60.994    17.144    19.521  3.1254  20.216  3.2785  -0.6948929     4.529505 
1 1 1 -28 18  3  o 28.170  1.9975  114.818   14.847    118.109   20.718    111.344   21.287    28.654  2.7325  27.686  2.9142  0.9674721      3.994925 
1 1 1 -28 18  4  o 18.099  2.4069  50.159    11.163    57.739    15.430    41.833    16.171    19.806  3.0026  16.392  3.7627  3.414845       4.813897 
1 1 1 -28 18  5  o 10.852  2.6308  16.600    9.1776    12.987    12.025    21.640    14.203    9.8055  3.5540  11.898  3.8799  -2.092436      5.261622 
1 1 1 -28 18  6  o 9.1732  2.1012  9.9514    7.4483    21.582    9.6144    -7.5071   11.779    11.984  3.0017  6.3625  2.9410  5.621330       4.202308 
1 1 1 -28 18  7  o 8.7287  2.3874  7.5168    7.9405    3.4702    10.287    13.484    12.491    7.4992  3.1135  9.9582  3.6202  -2.459003      4.774899 
1 1 1 -28 18  8  o 23.924  2.2364  84.487    13.903    74.256    19.059    96.122    20.324    22.269  3.2947  25.578  3.0251  -3.309135      4.472874 
1 1 1 -28 18  9  o 18.945  2.5432  54.896    12.399    51.538    16.773    58.941    18.410    18.329  3.5448  19.561  3.6478  -1.232418      5.086441 
1 1 1 -28 18  10 o 13.999  3.9341  31.175    15.363    0.0000    0.0000    31.175    15.363    ?       ?       13.999  3.9341  ?              ?        
1 1 1 -28 18  11 o 9.7048  2.6290  7.1861    9.6672    -1.0167   11.913    23.002    16.542    7.2118  3.1757  12.198  4.1906  -4.985981      5.258028 
1 1 1 -28 18  12 o 13.497  2.7965  28.795    10.767    25.204    14.610    33.062    15.927    12.639  3.9137  14.354  3.9957  -1.714548      5.593074 
1 1 1 -28 18  13 o 21.047  2.5534  67.934    13.811    58.139    18.820    79.365    20.331    19.249  3.7851  22.846  3.4283  -3.596437      5.106868 
1 1 1 -28 18  14 o 12.411  2.8518  24.403    10.825    22.275    14.610    26.994    16.118    11.907  3.9377  12.915  4.1262  -1.008560      5.703626 
1 1 1 -28 18  15 o 16.970  2.7496  46.221    12.568    29.894    17.133    65.242    18.492    13.419  4.2506  20.522  3.4890  -7.102674      5.499217 
1 1 1 -28 18  16 o 6.0989  2.0197  -8.8360   8.1495    -9.9685   10.749    -7.3050   12.498    5.6845  2.6856  6.5133  3.0172  -0.8287783     4.039330 
1 1 1 -28 18  17 f 7.7234  2.3915  0.8857    9.3920    -1.1608   12.625    3.4220    14.054    7.2429  3.2250  8.2038  3.5322  -0.9609380     4.783032 
1 1 1 -28 19  1  o 7.1988  1.9428  -1.3934   5.5727    -8.2647   6.6389    14.997    10.253    4.3068  2.0564  10.091  3.2969  -5.783886      3.885657 
1 1 1 -28 19  2  o 27.124  2.1080  107.991   15.058    105.974   20.998    110.127   21.605    26.872  2.9668  27.375  2.9954  -0.5035324     4.215971 
1 1 1 -28 19  3  o 44.594  1.9685  287.388   23.364    269.216   32.702    306.334   33.392    43.071  2.8508  46.116  2.7153  -3.045662      3.936959 
1 1 1 -28 19  4  o 22.041  2.2376  72.336    12.816    69.576    17.606    75.447    18.692    21.610  3.1330  22.472  3.1955  -0.8620739     4.475136 
1 1 1 -28 19  5  o 13.183  2.6996  27.726    10.117    30.108    13.429    24.600    15.385    13.877  3.5868  12.488  4.0357  1.388692       5.399285 
1 1 1 -28 19  6  o 15.937  2.6630  40.953    11.266    47.552    15.104    32.678    16.914    17.692  3.3089  14.181  4.1733  3.511378       5.325949 
1 1 1 -28 19  7  o 27.216  2.1545  109.164   15.413    102.120   21.307    116.897   22.324    26.255  3.0890  28.177  3.0042  -1.922127      4.309011 
1 1 1 -28 19  8  o 10.228  2.6254  14.665    9.3656    17.192    12.409    11.322    14.276    10.737  3.6303  9.7181  3.7936  1.019077       5.250737 
1 1 1 -28 19  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 19  10 o 18.443  2.6603  52.834    12.721    37.697    17.163    71.290    18.951    15.216  4.1130  21.669  3.3751  -6.453105      5.320515 
1 1 1 -28 19  11 o 7.6838  2.3078  -2.9127   8.8721    -13.5909  11.649    11.839    13.691    5.6721  2.7126  9.6955  3.7344  -4.023469      4.615579 
1 1 1 -28 19  12 o 18.051  2.8486  52.847    13.382    53.528    18.105    52.027    19.868    18.351  3.8081  17.751  4.2374  0.5995674      5.697165 
1 1 1 -28 19  13 o 21.373  2.5994  71.542    14.320    65.995    19.627    77.855    20.939    20.435  3.7230  22.311  3.6285  -1.876087      5.198735 
1 1 1 -28 19  14 o 19.201  2.7513  59.450    13.703    41.384    18.626    80.764    20.231    15.569  4.3164  22.833  3.4128  -7.263237      5.502586 
1 1 1 -28 19  15 o 6.1132  2.0259  -10.2318  8.3752    -15.9027  11.335    -3.4134   12.429    5.3183  2.5763  6.9082  3.1273  -1.589857      4.051836 
1 1 1 -28 20  1  o 12.703  2.8063  26.019    10.665    28.647    14.378    22.803    15.903    13.372  3.8227  12.034  4.1095  1.337659       5.612581 
1 1 1 -28 20  2  o 10.975  2.6995  18.149    9.6758    18.953    12.633    17.007    15.050    11.118  3.6608  10.832  3.9682  0.2861433      5.398914 
1 1 1 -28 20  3  o 11.557  2.2554  19.452    9.3622    37.488    12.345    -4.9633   14.363    15.770  3.0327  7.3441  3.3392  8.425922       4.510876 
1 1 1 -28 20  4  o 8.6511  2.3921  8.1199    8.3168    12.478    10.600    1.1421    13.413    9.4337  3.3465  7.8685  3.4191  1.565176       4.784256 
1 1 1 -28 20  5  o 7.1921  2.2279  -0.3489   8.2353    3.3341    10.341    -6.7347   13.617    7.4372  3.1076  6.9469  3.1933  0.4903150      4.455861 
1 1 1 -28 20  6  f 33.791  2.1522  168.247   19.184    149.198   26.293    189.931   28.053    31.637  3.1445  35.945  2.9394  -4.307859      4.304429 
1 1 1 -28 20  7  o 6.6091  3.0478  -6.9838   12.541    0.0000    0.0000    -6.9838   12.541    ?       ?       6.6091  3.0478  ?              ?        
1 1 1 -28 20  8  o 20.125  3.0250  67.198    15.180    69.130    18.801    63.581    25.730    21.241  3.4207  19.009  4.9901  2.232197       6.050001 
1 1 1 -28 20  9  o 11.358  2.7112  16.477    10.771    3.2657    14.279    33.921    16.407    8.3490  3.5767  14.366  4.0755  -6.017310      5.422364 
1 1 1 -28 20  10 o 6.7398  2.1733  -6.0407   8.9197    -0.0374   11.878    -13.8043  13.507    7.2740  3.1878  6.2056  2.9547  1.068443       4.346549 
1 1 1 -28 20  11 o 7.3527  2.3076  -1.6465   9.2011    2.5253    12.525    -6.5377   13.562    7.7995  3.3458  6.9059  3.1791  0.8935575      4.615289 
1 1 1 -28 20  12 o 35.334  2.2679  189.494   21.210    180.681   29.304    199.192   30.740    34.463  3.2115  36.205  3.2029  -1.741848      4.535711 
1 1 1 -28 20  13 o 14.783  2.9165  36.691    12.188    27.683    16.467    47.605    18.125    12.761  4.1785  16.805  4.0699  -4.044020      5.833015 
1 1 1 -28 20  14 f 11.037  2.8775  19.557    11.218    20.428    15.122    18.493    16.730    11.190  3.9940  10.883  4.1434  0.3071308      5.754996 
1 1 1 -28 21  1  o 8.1529  2.2832  4.1845    8.5379    14.306    10.957    -11.4591  13.622    9.8622  3.4093  6.4436  3.0379  3.418587       4.566438 
1 1 1 -28 21  2  o 17.056  2.7217  46.495    12.148    39.672    16.483    54.606    17.973    15.587  3.9446  18.524  3.7510  -2.937177      5.443369 
1 1 1 -28 21  3  o 15.188  2.8208  37.035    11.742    28.376    15.692    48.051    17.699    13.153  4.0532  17.223  3.9242  -4.069498      5.641621 
1 1 1 -28 21  4  o 9.7018  2.6997  11.546    10.209    12.083    13.294    10.774    15.938    9.6339  3.6873  9.7696  3.9442  -0.1356916     5.399369 
1 1 1 -28 21  5  o 25.959  2.5523  104.204   17.178    110.325   25.857    99.367    22.983    26.512  3.7456  25.406  3.4680  1.105768       5.104578 
1 1 1 -28 21  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 21  7  o 19.187  2.7825  58.943    13.816    46.637    18.653    73.897    20.563    16.723  4.1768  21.651  3.6773  -4.928007      5.564923 
1 1 1 -28 21  8  o 9.8583  2.6602  11.567    10.756    21.444    14.084    -2.2547   16.661    11.596  3.8677  8.1202  3.6533  3.476259       5.320333 
1 1 1 -28 21  9  o 10.595  2.5111  12.454    10.951    33.032    14.637    -13.7111  16.504    14.209  3.7799  6.9808  3.3069  7.228046       5.022286 
1 1 1 -28 21  10 f 13.521  2.9088  31.372    12.544    44.133    16.961    15.965    18.637    16.305  3.9299  10.737  4.2895  5.568158       5.817619 
1 1 1 -28 21  11 o 18.376  2.8512  56.288    13.764    41.942    18.679    73.334    20.361    15.453  4.3362  21.299  3.7034  -5.846741      5.702437 
1 1 1 -28 21  12 o 10.838  2.8767  17.692    11.511    11.011    15.617    25.641    17.034    9.5060  3.8797  12.171  4.2484  -2.664631      5.753396 
1 1 1 -28 22  1  o 33.751  2.1969  171.781   19.634    171.283   27.502    172.299   28.038    33.736  3.0774  33.766  3.1359  -0.3043747E-01 4.393720 
1 1 1 -28 22  2  o 27.856  2.2986  118.372   16.820    115.164   23.357    121.827   24.241    27.477  3.2358  28.235  3.2657  -0.7585373     4.597257 
1 1 1 -28 22  3  f 9.8466  3.8495  12.646    14.717    0.0000    0.0000    12.646    14.717    ?       ?       9.8466  3.8495  ?              ?        
1 1 1 -28 22  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 22  5  o 19.527  2.7530  61.690    13.877    49.158    18.880    76.416    20.465    17.076  4.1650  21.977  3.6014  -4.901154      5.506063 
1 1 1 -28 22  6  o 20.901  2.8033  71.219    15.015    50.105    20.376    96.309    22.212    16.959  4.4353  24.842  3.4296  -7.883343      5.606657 
1 1 1 -28 22  7  f 8.4706  2.4738  0.4901    9.8138    -11.4559  12.729    17.997    15.409    6.1284  2.9035  10.813  4.0060  -4.684500      4.947576 
1 1 1 -28 22  8  o 12.870  3.0902  28.457    12.659    24.552    16.845    33.523    19.188    12.054  4.2238  13.685  4.5120  -1.631218      6.180486 
1 1 1 -28 22  9  o 6.2396  2.0813  -10.5876  9.1593    -5.1117   11.746    -19.0836  14.631    6.4626  2.9689  6.0165  2.9176  0.4460940      4.162557 
1 1 1 -28 22  10 f 16.481  3.0741  49.216    13.810    52.498    18.533    45.118    20.707    17.450  4.0442  15.512  4.6308  1.938036       6.148173 
1 1 1 -28 23  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -28 23  2  o 8.0177  3.5186  1.5577    14.515    1.5577    14.515    0.0000    0.0000    8.0177  3.5186  ?       ?       ?              ?        
1 1 1 -28 23  3  o 9.3594  2.6755  10.463    10.247    10.288    13.246    10.724    16.171    9.1251  3.6257  9.5937  3.9355  -0.4685526     5.351058 
1 1 1 -28 23  4  o 13.686  2.6569  31.951    12.572    54.326    16.694    2.6315    19.110    18.395  3.5164  8.9765  3.9839  9.418372       5.313814 
1 1 1 -28 23  5  o 13.602  2.9551  33.080    12.593    43.098    16.853    20.411    18.951    15.915  3.9673  11.288  4.3807  4.626850       5.910170 
1 1 1 -28 23  6  f 12.195  3.0221  24.841    12.347    17.251    16.399    34.772    18.760    10.583  4.0839  13.806  4.4558  -3.223499      6.044229 
1 1 1 -28 23  7  o 8.9849  2.4868  7.2742    10.169    20.499    13.368    -10.8899  15.666    11.093  3.7678  6.8764  3.2468  4.217096       4.973691 
1 1 1 -28 23  8  f 11.145  3.0307  20.299    12.681    15.380    16.726    26.947    19.446    10.160  4.0621  12.130  4.4990  -1.969351      6.061470 
1 1 1 -28 24  1  o 23.784  2.7530  94.454    16.633    73.149    22.948    118.033   24.142    20.345  4.3435  27.223  3.3839  -6.878288      5.506046 
1 1 1 -28 24  2  o 11.221  2.5348  20.081    10.808    35.383    13.792    -4.2596   17.396    14.592  3.5604  7.8501  3.6088  6.741557       5.069558 
1 1 1 -28 24  3  o 7.9929  2.5298  0.2497    10.864    -1.7184   13.907    3.3305    17.400    7.3577  3.3215  8.6281  3.8167  -1.270394      5.059595 
1 1 1 -28 24  4  o 11.360  3.0220  21.300    12.349    15.863    15.930    29.487    19.547    10.174  3.9970  12.546  4.5336  -2.371558      6.043990 
1 1 1 -28 24  5  o 14.778  3.0128  38.737    13.263    23.425    17.555    59.102    20.245    11.469  4.2705  18.087  4.2508  -6.617936      6.025528 
1 1 1 -28 25  1  o 7.8075  2.5150  -3.6221   12.217    6.8013    15.861    -18.8263  19.156    8.6690  3.7424  6.9459  3.3609  1.723061       5.029987 
1 1 1 -28 25  2  o 13.714  2.8715  28.675    13.709    2.4585    17.776    67.151    21.534    8.4071  3.7788  19.021  4.3246  -10.61424      5.742958 
1 1 1 -27 -17 7  o 11.880  2.9514  20.230    12.162    8.9549    20.006    26.840    15.318    10.510  4.3510  13.251  3.9889  -2.741385      5.902781 
1 1 1 -27 -17 8  o 42.049  2.3527  256.272   26.276    260.163   37.650    252.578   36.688    42.343  3.3469  41.756  3.3074  0.5872078      4.705429 
1 1 1 -27 -17 9  o 23.725  2.8696  86.025    17.377    80.030    26.112    90.791    23.281    22.684  4.4565  24.765  3.6164  -2.080605      5.739251 
1 1 1 -27 -17 10 o 15.322  2.9432  31.370    14.278    64.781    21.958    6.8978    18.793    20.577  4.1277  10.068  4.1966  10.50900       5.886365 
1 1 1 -27 -17 11 f 30.938  2.6456  141.691   21.388    137.739   31.280    145.162   29.310    30.377  3.9370  31.499  3.5350  -1.121981      5.291196 
1 1 1 -27 -17 12 o 22.877  3.1236  82.591    18.238    66.683    27.121    95.724    24.642    20.350  5.0094  25.405  3.7327  -5.055134      6.247185 
1 1 1 -27 -17 13 o 15.428  3.2031  37.831    15.001    21.590    22.621    50.582    20.043    12.750  4.8266  18.106  4.2121  -5.355950      6.406138 
1 1 1 -27 -17 14 o 21.729  3.1329  74.119    17.518    64.226    26.042    82.294    23.675    20.038  4.8942  23.419  3.9123  -3.380280      6.265728 
1 1 1 -27 -17 15 o 14.811  3.1255  27.072    15.162    61.367    24.001    4.2984    19.558    19.736  4.6215  9.8853  4.2091  9.851005       6.251015 
1 1 1 -27 -17 16 o 23.459  3.1418  90.584    18.595    53.423    27.637    121.322   25.135    18.000  5.3444  28.917  3.3045  -10.91725      6.283518 
1 1 1 -27 -17 17 o 28.012  2.7804  117.087   20.197    131.893   29.489    104.005   27.719    29.804  3.7789  26.220  4.0795  3.583870       5.560754 
1 1 1 -27 -17 18 o 9.1433  2.7940  -7.9618   13.047    16.325    21.219    -22.7265  16.544    11.754  4.6145  6.5324  3.1514  5.221770       5.587948 
1 1 1 -27 -17 19 o 13.016  2.7229  20.408    14.271    -24.2166  22.572    50.121    18.419    7.9300  3.7878  18.102  3.9128  -10.17242      5.445890 
1 1 1 -27 -16 2  o 15.333  2.8560  32.732    13.814    65.454    20.915    7.4114    18.398    20.684  3.9187  9.9822  4.1558  10.70133       5.712011 
1 1 1 -27 -16 3  o 12.945  2.8912  25.453    12.559    6.7969    19.902    37.799    16.190    10.207  4.2909  15.684  3.8762  -5.477260      5.782459 
1 1 1 -27 -16 4  o 15.429  4.1961  31.088    18.555    28.829    19.891    46.230    51.501    13.748  4.5965  17.109  7.0214  -3.361538      8.392118 
1 1 1 -27 -16 5  o 9.9777  4.1582  6.6581    18.446    6.6581    18.446    0.0000    0.0000    9.9777  4.1582  ?       ?       ?              ?        
1 1 1 -27 -16 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 14 o 38.007  3.4801  208.318   35.034    208.318   35.034    0.0000    0.0000    38.007  3.4801  ?       ?       ?              ?        
1 1 1 -27 -16 15 o 35.820  3.5695  185.954   33.791    185.954   33.791    0.0000    0.0000    35.820  3.5695  ?       ?       ?              ?        
1 1 1 -27 -16 16 o 13.117  3.2759  24.226    14.201    26.514    21.989    22.588    18.600    13.584  4.8198  12.650  4.4381  0.9344082      6.551848 
1 1 1 -27 -16 17 o 19.442  3.1735  61.476    16.751    36.483    25.098    81.552    22.494    15.361  5.1630  23.523  3.6918  -8.162076      6.347096 
1 1 1 -27 -16 18 o 13.127  2.9262  21.902    14.463    -10.1173  22.116    45.830    19.118    8.9620  4.1012  17.292  4.1751  -8.329796      5.852487 
1 1 1 -27 -16 19 o 17.432  3.5012  48.419    17.056    50.113    25.402    47.028    23.015    17.645  5.0920  17.219  4.8066  0.4255981      7.002333 
1 1 1 -27 -16 20 o 5.3343  1.8998  -42.6177  11.031    -39.4600  18.337    -44.4087  13.809    6.0626  3.0039  4.6060  2.3266  1.456681       3.799561 
1 1 1 -27 -16 21 o 11.332  2.9342  7.9575    14.597    -23.6511  21.555    34.736    19.840    7.7578  3.7045  14.907  4.5514  -7.149289      5.868439 
1 1 1 -27 -16 22 o 11.822  3.2823  16.318    15.411    9.6651    22.777    21.935    20.928    11.064  4.6166  12.581  4.6671  -1.517368      6.564660 
1 1 1 -27 -16 23 o 14.560  3.5029  33.175    16.620    25.238    23.635    40.938    23.376    13.252  4.9511  15.867  4.9566  -2.615351      7.005808 
1 1 1 -27 -15 1  o 19.906  4.5738  62.546    23.874    0.0000    0.0000    62.546    23.874    ?       ?       19.906  4.5738  ?              ?        
1 1 1 -27 -15 2  o 8.4746  3.6099  2.1875    14.397    0.0000    0.0000    2.1875    14.397    ?       ?       8.4746  3.6099  ?              ?        
1 1 1 -27 -15 3  o 17.039  3.0546  45.617    14.318    32.634    20.770    57.372    19.763    14.569  4.6871  19.508  3.9183  -4.939507      6.109223 
1 1 1 -27 -15 4  o 11.801  2.9974  18.873    12.145    14.922    18.383    21.933    16.179    11.268  4.3306  12.334  4.1453  -1.065531      5.994784 
1 1 1 -27 -15 5  o 43.462  2.2195  269.023   25.604    286.626   36.087    251.179   36.333    45.001  3.0112  41.922  3.2614  3.079617       4.438960 
1 1 1 -27 -15 6  o 10.398  2.8590  11.060    11.216    15.003    17.943    8.5321    14.370    11.257  4.2897  9.5389  3.7806  1.717716       5.717971 
1 1 1 -27 -15 7  o 19.945  2.9827  62.453    15.488    42.901    22.903    78.927    21.024    16.585  4.8494  23.305  3.4742  -6.720114      5.965425 
1 1 1 -27 -15 8  o 17.361  3.0262  44.842    14.050    58.256    21.383    34.649    18.639    19.631  4.1940  15.091  4.3638  4.540404       6.052497 
1 1 1 -27 -15 9  o 7.5800  2.4206  -5.3315   10.087    -6.9462   16.830    -4.4261   12.602    8.0394  3.6392  7.1207  3.1925  0.9187193      4.841105 
1 1 1 -27 -15 10 o 24.138  2.7555  86.277    16.972    83.194    25.922    88.590    22.454    23.538  4.2688  24.738  3.4855  -1.199598      5.511026 
1 1 1 -27 -15 11 o 37.624  2.3142  201.451   23.047    202.937   33.643    200.137   31.637    37.690  3.3680  37.557  3.1747  0.1330490      4.628453 
1 1 1 -27 -15 12 o 15.425  3.0458  37.152    13.747    22.054    21.120    48.251    18.108    12.859  4.7023  17.991  3.8724  -5.131739      6.091616 
1 1 1 -27 -15 13 o 28.835  2.6369  123.137   19.368    103.745   28.804    139.139   26.166    26.387  4.2174  31.283  3.1664  -4.895836      5.273726 
1 1 1 -27 -15 14 o 14.822  3.1694  30.909    13.883    46.952    21.843    20.037    17.982    17.450  4.6059  12.193  4.3551  5.256978       6.338818 
1 1 1 -27 -15 15 o 9.1543  2.7390  3.1571    11.287    4.0672    18.373    2.6054    14.305    9.7250  4.1074  8.5835  3.6247  1.141501       5.478063 
1 1 1 -27 -15 16 o 11.750  3.1077  15.228    15.316    -35.8086  32.816    29.442    17.318    9.4805  4.5389  14.019  4.2462  -4.538429      6.215458 
1 1 1 -27 -15 17 o 11.958  4.4815  17.907    19.393    0.0000    0.0000    17.907    19.393    ?       ?       11.958  4.4815  ?              ?        
1 1 1 -27 -15 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -15 19 o 17.664  4.9784  49.276    24.566    49.276    24.566    0.0000    0.0000    17.664  4.9784  ?       ?       ?              ?        
1 1 1 -27 -15 20 o 38.024  2.4692  209.178   24.791    196.087   35.443    221.719   34.690    36.722  3.6519  39.326  3.3245  -2.603497      4.938463 
1 1 1 -27 -15 21 f 38.706  2.5310  218.100   25.786    194.546   36.483    241.610   36.450    36.415  3.7963  40.998  3.3485  -4.583637      5.062009 
1 1 1 -27 -15 22 o 43.618  2.4254  275.089   28.021    251.191   39.362    299.644   39.900    41.554  3.5711  45.682  3.2828  -4.127064      4.850752 
1 1 1 -27 -15 23 o 29.991  2.7541  134.092   21.523    122.816   30.308    145.563   30.569    28.564  4.0771  31.418  3.7037  -2.854271      5.508252 
1 1 1 -27 -15 24 o 34.099  2.6834  173.407   23.663    141.351   33.171    206.623   33.765    30.511  4.1679  37.687  3.3809  -7.175993      5.366719 
1 1 1 -27 -15 25 o 16.543  3.5818  45.040    17.369    45.990    24.274    44.043    24.864    16.730  5.0182  16.357  5.1123  0.3727150      7.163632 
1 1 1 -27 -14 1  o 12.750  2.9939  23.377    12.679    11.258    19.045    33.024    16.992    10.790  4.3273  14.709  4.1387  -3.918387      5.987845 
1 1 1 -27 -14 2  o 27.967  2.4615  113.653   17.932    126.295   25.482    101.252   25.239    29.655  3.2620  26.278  3.6873  3.376934       4.923060 
1 1 1 -27 -14 3  o 31.820  2.3407  145.557   19.565    132.232   27.752    158.723   27.586    30.241  3.4903  33.399  3.1198  -3.158117      4.681387 
1 1 1 -27 -14 4  o 23.024  2.8182  78.827    16.687    89.532    23.893    68.633    23.316    24.722  3.7239  21.326  4.2311  3.395508       5.636425 
1 1 1 -27 -14 5  o 26.229  2.5550  100.100   17.080    125.413   24.762    77.125    23.590    29.677  3.1639  22.781  4.0126  6.895769       5.109908 
1 1 1 -27 -14 6  o 28.580  2.4673  117.631   18.192    142.710   26.384    94.903    25.117    31.699  3.1491  25.461  3.7992  6.238258       4.934698 
1 1 1 -27 -14 7  o 41.398  2.2238  242.093   24.400    266.677   35.118    219.148   33.927    43.514  3.0320  39.282  3.2538  4.232014       4.447545 
1 1 1 -27 -14 8  o 26.790  2.5238  103.111   17.555    118.436   25.846    89.987    23.918    28.726  3.4268  24.854  3.7062  3.872303       5.047680 
1 1 1 -27 -14 9  o 23.141  2.7527  78.499    16.364    81.510    24.648    76.125    21.883    23.451  4.0717  22.832  3.7054  0.6192036      5.505336 
1 1 1 -27 -14 10 o 29.827  2.3979  127.089   18.780    130.883   27.575    123.807   25.647    30.201  3.4721  29.454  3.3081  0.7468758      4.795724 
1 1 1 -27 -14 11 o 9.6901  2.7617  4.9891    10.874    15.956    18.134    -1.1682   13.588    11.516  4.3301  7.8641  3.4289  3.651895       5.523328 
1 1 1 -27 -14 12 o 10.270  2.8473  9.1087    11.082    16.626    18.562    4.9453    13.814    11.690  4.3838  8.8501  3.6347  2.840117       5.694624 
1 1 1 -27 -14 13 o 20.738  2.8286  63.698    15.033    64.771    22.809    62.873    19.988    20.777  4.2420  20.699  3.7429  0.7791519E-01  5.657208 
1 1 1 -27 -14 14 o 18.427  3.0353  52.331    14.704    43.608    22.359    58.979    19.518    16.839  4.7508  20.016  3.7791  -3.177574      6.070567 
1 1 1 -27 -14 15 o 7.7797  2.4919  -10.9091  10.769    3.0815    18.303    -18.3167  13.318    9.6059  4.0806  5.9535  2.8612  3.652349       4.983734 
1 1 1 -27 -14 16 o 7.6740  2.0732  -6.2229   8.7850    -51.5295  15.402    15.625    10.695    4.8035  2.4292  10.544  3.3604  -5.741008      4.146493 
1 1 1 -27 -14 17 o 34.262  2.4197  167.871   21.891    169.014   31.623    166.820   30.335    34.334  3.4871  34.191  3.3556  0.1429672      4.839416 
1 1 1 -27 -14 18 o 15.586  3.2864  37.412    15.118    27.616    22.524    45.444    20.395    13.914  4.8837  17.258  4.3990  -3.344090      6.572777 
1 1 1 -27 -14 19 o 25.371  2.8252  94.893    18.521    104.243   26.808    86.355    25.619    26.657  3.8676  24.085  4.1193  2.571932       5.650395 
1 1 1 -27 -14 20 o 27.555  4.5280  114.893   32.258    0.0000    0.0000    114.893   32.258    ?       ?       27.555  4.5280  ?              ?        
1 1 1 -27 -14 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -14 22 o 23.465  3.0866  84.631    18.519    105.815   26.231    63.577    26.150    26.845  3.7505  20.086  4.9034  6.759178       6.173299 
1 1 1 -27 -14 23 o 13.151  3.3791  23.551    15.732    31.513    21.977    15.184    22.530    14.425  4.8313  11.878  4.7256  2.546905       6.758215 
1 1 1 -27 -14 24 o 21.421  3.1654  71.111    17.586    79.204    25.100    63.308    24.647    22.775  4.2716  20.068  4.6725  2.706615       6.330847 
1 1 1 -27 -14 25 o 27.291  2.9807  113.233   20.977    99.710    29.270    127.514   30.078    25.398  4.4656  29.184  3.9493  -3.785934      5.961382 
1 1 1 -27 -14 26 o 45.450  2.4620  302.134   29.728    304.813   41.539    299.321   42.563    45.729  3.4161  45.172  3.5463  0.5562973      4.923998 
1 1 1 -27 -13 1  o 14.620  2.9205  31.369    12.260    43.547    18.225    21.303    16.570    16.961  4.0648  12.278  4.1947  4.683417       5.841053 
1 1 1 -27 -13 2  o 17.497  2.8546  46.325    13.104    42.981    19.163    49.262    17.959    16.801  4.2542  18.194  3.8075  -1.393103      5.709194 
1 1 1 -27 -13 3  o 35.229  2.1579  175.592   20.132    185.490   28.508    165.746   28.434    36.281  2.9594  34.177  3.1413  2.103897       4.315717 
1 1 1 -27 -13 4  o 10.079  2.8180  9.5092    11.406    4.0262    17.464    13.588    15.062    9.5338  4.0144  10.625  3.9559  -1.090912      5.635943 
1 1 1 -27 -13 5  o 31.554  2.2010  141.012   18.353    146.053   26.312    136.237   25.612    32.116  3.0971  30.993  3.1281  1.123516       4.401942 
1 1 1 -27 -13 6  o 23.968  2.5164  84.044    15.472    74.134    22.606    92.777    21.221    22.424  3.9057  25.513  3.1741  -3.088945      5.032833 
1 1 1 -27 -13 7  o 47.247  2.1724  314.052   27.289    339.693   39.073    289.635   38.129    49.204  2.9788  45.290  3.1630  3.913708       4.344839 
1 1 1 -27 -13 8  o 8.5205  2.5638  -4.3721   10.394    12.355    17.387    -13.6757  12.967    10.800  4.1946  6.2414  2.9490  4.558217       5.127546 
1 1 1 -27 -13 9  o 37.198  2.2113  196.312   21.690    181.792   31.550    209.326   29.869    35.751  3.3332  38.645  2.9069  -2.894272      4.422671 
1 1 1 -27 -13 10 o 19.839  2.8457  58.764    14.534    55.968    21.657    61.055    19.604    19.267  4.3050  20.412  3.7229  -1.144772      5.691495 
1 1 1 -27 -13 11 o 14.294  3.0174  29.657    12.318    36.010    19.226    25.233    16.044    15.442  4.4224  13.146  4.1064  2.296061       6.034877 
1 1 1 -27 -13 12 o 18.927  2.8762  53.979    14.060    49.145    21.269    57.730    18.738    17.985  4.4415  19.868  3.6557  -1.882877      5.752479 
1 1 1 -27 -13 13 o 16.094  3.0648  40.003    13.697    30.893    21.085    46.653    18.015    14.467  4.7278  17.720  3.9012  -3.253272      6.129601 
1 1 1 -27 -13 14 o 26.219  2.4973  98.383    17.029    109.462   25.243    89.131    23.068    27.603  3.4924  24.835  3.5706  2.768898       4.994557 
1 1 1 -27 -13 15 o 10.685  2.9166  11.591    11.776    16.842    18.107    7.7407    15.502    11.678  4.3393  9.6930  3.8982  1.984716       5.833124 
1 1 1 -27 -13 16 o 9.7873  2.8204  6.9442    11.516    8.7245    17.814    5.6658    15.095    10.305  4.1666  9.2692  3.8023  1.036239       5.640786 
1 1 1 -27 -13 17 o 27.298  2.6065  108.277   18.497    100.980   26.526    115.184   25.805    26.277  3.8861  28.320  3.4748  -2.043633      5.213072 
1 1 1 -27 -13 18 o 25.560  2.8373  98.248    18.239    73.260    26.252    121.564   25.358    21.929  4.6155  29.191  3.3013  -7.261791      5.674612 
1 1 1 -27 -13 19 o 24.964  2.9292  93.288    18.605    72.825    26.262    113.908   26.362    21.841  4.6326  28.086  3.5861  -6.244560      5.858463 
1 1 1 -27 -13 20 o 32.658  2.4963  154.086   21.239    176.710   30.022    131.417   30.052    35.281  3.2122  30.036  3.8221  5.245295       4.992600 
1 1 1 -27 -13 21 f 38.719  2.4266  215.464   24.572    178.619   34.521    253.303   34.984    35.106  3.7283  42.332  3.1071  -7.225979      4.853262 
1 1 1 -27 -13 22 o 16.762  4.8282  43.715    22.857    0.0000    0.0000    43.715    22.857    ?       ?       16.762  4.8282  ?              ?        
1 1 1 -27 -13 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -13 24 o 23.427  3.1911  84.320    19.273    87.124    26.717    81.276    27.831    23.964  4.3213  22.891  4.6966  1.072775       6.382188 
1 1 1 -27 -13 25 o 8.2422  2.6778  -15.5921  13.918    -29.7141  18.911    1.0982    20.559    6.7461  3.2819  9.7383  4.2322  -2.992204      5.355594 
1 1 1 -27 -13 26 o 13.703  3.3722  27.724    15.643    36.039    21.238    17.865    23.126    15.157  4.7229  12.249  4.8147  2.907626       6.744399 
1 1 1 -27 -13 27 o 32.868  2.7388  161.511   23.641    161.391   33.066    161.637   33.814    32.898  3.8239  32.839  3.9220  0.5885315E-01  5.477605 
1 1 1 -27 -13 28 f 24.206  3.2753  93.285    20.449    89.291    29.187    97.136    28.659    23.553  4.7897  24.858  4.4686  -1.304955      6.550516 
1 1 1 -27 -12 1  o 19.204  2.8342  56.185    14.136    42.047    20.323    69.439    19.676    16.553  4.4762  21.855  3.4778  -5.302235      5.668396 
1 1 1 -27 -12 2  o 33.069  2.2134  155.751   19.228    173.895   27.093    137.339   27.292    35.160  2.9028  30.979  3.3421  4.180582       4.426749 
1 1 1 -27 -12 3  o 14.409  2.7401  30.638    12.446    7.5722    18.224    50.800    17.038    10.193  4.1792  18.624  3.5451  -8.430658      5.480276 
1 1 1 -27 -12 4  o 12.371  2.8959  21.751    11.449    14.918    17.209    27.177    15.335    11.199  4.2168  13.543  3.9703  -2.343923      5.791810 
1 1 1 -27 -12 5  o 29.666  2.3338  125.389   18.040    146.914   26.069    105.609   24.990    32.259  3.0534  27.073  3.5303  5.186529       4.667564 
1 1 1 -27 -12 6  o 66.192  2.2319  616.542   39.444    584.153   56.020    648.388   55.548    64.326  3.2620  68.057  3.0472  -3.730675      4.463880 
1 1 1 -27 -12 7  o 11.723  2.7873  13.080    11.554    35.101    18.180    -1.8412   14.965    15.280  4.2743  8.1664  3.5786  7.113994       5.574602 
1 1 1 -27 -12 8  f 21.311  2.6068  66.315    14.276    65.141    21.145    67.299    19.353    21.037  3.8960  21.586  3.4646  -0.5485344     5.213656 
1 1 1 -27 -12 9  o 33.535  2.2057  158.964   19.525    153.219   28.331    164.160   26.945    32.875  3.2605  34.195  2.9715  -1.319923      4.411398 
1 1 1 -27 -12 10 o 18.782  2.7955  53.066    13.504    46.613    20.573    57.951    17.900    17.558  4.3871  20.006  3.4660  -2.448191      5.591020 
1 1 1 -27 -12 11 o 11.630  2.8738  18.035    11.346    10.083    17.782    23.495    14.735    10.530  4.1954  12.729  3.9286  -2.199421      5.747625 
1 1 1 -27 -12 12 o 33.836  2.2793  161.848   20.359    163.665   29.883    160.274   27.813    33.956  3.3284  33.717  3.1150  0.2391891      4.558693 
1 1 1 -27 -12 13 o 14.765  2.9239  30.906    12.352    45.560    18.879    19.938    16.333    17.454  4.1066  12.076  4.1632  5.378093       5.847811 
1 1 1 -27 -12 14 o 36.449  2.2820  189.080   21.859    171.413   31.817    204.875   30.084    34.665  3.4735  38.234  2.9607  -3.568752      4.564066 
1 1 1 -27 -12 15 o 8.0921  2.4950  -3.5685   10.033    5.7338    16.338    -9.2004   12.713    9.5682  3.9440  6.6159  3.0571  2.952292       4.990068 
1 1 1 -27 -12 16 o 13.400  3.1674  25.758    13.392    23.332    19.618    27.875    18.326    13.008  4.5582  13.793  4.3990  -0.7857466     6.334731 
1 1 1 -27 -12 17 o 25.337  2.6466  93.247    17.351    103.642   24.912    83.452    24.181    26.824  3.5549  23.849  3.9218  2.974663       5.293217 
1 1 1 -27 -12 18 o 18.254  3.0847  50.687    14.929    44.532    21.431    56.490    20.808    17.070  4.5885  19.439  4.1241  -2.369289      6.169476 
1 1 1 -27 -12 19 o 49.959  2.2584  352.456   29.995    324.890   42.124    380.812   42.723    47.880  3.3048  52.038  3.0788  -4.158279      4.516755 
1 1 1 -27 -12 20 o 32.694  2.4296  153.021   20.944    147.888   29.667    158.122   29.572    32.100  3.5077  33.289  3.3626  -1.189789      4.859107 
1 1 1 -27 -12 21 o 26.520  2.6608  102.541   18.345    97.150    25.916    107.957   25.973    25.746  3.8783  27.294  3.6438  -1.547873      5.321519 
1 1 1 -27 -12 22 f 31.234  2.5046  140.914   20.475    127.902   29.100    153.672   28.815    29.661  3.7465  32.807  3.3250  -3.146624      5.009175 
1 1 1 -27 -12 23 o 35.339  2.4912  179.758   23.257    174.567   32.869    184.962   32.911    34.785  3.5789  35.892  3.4665  -1.106770      4.982439 
1 1 1 -27 -12 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -12 25 f 17.290  3.5191  55.635    21.808    77.146    24.067    -43.0946  51.560    22.647  4.1193  11.933  5.7068  10.71367       7.038231 
1 1 1 -27 -12 26 o 22.873  3.2010  81.986    18.887    108.677   26.894    56.013    26.531    27.108  3.8091  18.637  5.1456  8.471704       6.402047 
1 1 1 -27 -12 27 o 12.783  3.4178  21.458    16.253    27.551    22.551    14.872    23.445    13.682  4.8781  11.883  4.7886  1.799555       6.835666 
1 1 1 -27 -12 28 o 36.158  2.5809  193.100   24.444    221.037   35.044    166.627   34.113    38.948  3.3931  33.369  3.8897  5.579548       5.161702 
1 1 1 -27 -12 29 f 14.762  3.5601  33.905    17.482    47.307    25.103    21.285    24.359    16.846  5.1145  12.678  4.9536  4.167733       7.120158 
1 1 1 -27 -11 1  o 31.286  2.2433  139.536   18.389    157.607   26.067    121.631   25.947    33.452  2.9391  29.120  3.3900  4.331713       4.486671 
1 1 1 -27 -11 2  o 26.617  2.2946  101.221   15.966    109.986   22.690    92.626    22.470    27.846  3.0945  25.389  3.3888  2.456963       4.589130 
1 1 1 -27 -11 3  o 14.694  2.7735  30.799    11.424    45.087    17.408    19.992    15.140    17.432  3.8327  11.955  4.0100  5.476201       5.547049 
1 1 1 -27 -11 4  o 36.925  2.1256  191.827   20.773    209.234   29.510    174.729   29.246    38.673  2.8693  35.177  3.1369  3.496418       4.251252 
1 1 1 -27 -11 5  o 49.790  2.0955  346.906   27.809    338.581   39.477    355.107   39.179    49.160  3.0126  50.421  2.9135  -1.260590      4.190966 
1 1 1 -27 -11 6  f 28.327  2.2357  113.246   16.573    129.388   24.114    98.799    22.814    30.325  3.0086  26.330  3.3080  3.995325       4.471482 
1 1 1 -27 -11 7  o 55.782  2.1271  435.206   31.636    426.346   45.353    443.601   44.151    55.170  3.0814  56.394  2.9331  -1.223965      4.254197 
1 1 1 -27 -11 8  o 28.117  2.2336  111.197   16.287    136.035   23.945    89.815    22.217    31.169  2.9015  25.065  3.3967  6.103577       4.467293 
1 1 1 -27 -11 9  o 21.497  2.5552  66.530    14.142    71.781    21.099    62.246    19.057    22.255  3.6674  20.738  3.5589  1.516586       5.110310 
1 1 1 -27 -11 10 o 41.194  2.1427  237.905   23.426    231.400   33.921    243.837   32.391    40.584  3.1450  41.805  2.9109  -1.220242      4.285403 
1 1 1 -27 -11 11 o 36.343  2.1758  186.196   20.865    173.958   30.356    197.156   28.727    35.095  3.2668  37.592  2.8748  -2.497448      4.351618 
1 1 1 -27 -11 12 o 9.9708  2.6514  7.7656    9.9462    20.564    15.910    -0.4456   12.743    12.191  4.1106  7.7507  3.3502  4.440264       5.302896 
1 1 1 -27 -11 13 o 26.181  2.4472  97.569    16.386    123.511   24.119    75.331    22.331    29.610  3.0865  22.752  3.7984  6.858402       4.894320 
1 1 1 -27 -11 14 o 25.833  2.4687  95.417    16.500    111.181   23.950    81.175    22.764    27.996  3.2546  23.669  3.7129  4.327124       4.937345 
1 1 1 -27 -11 15 o 10.136  2.8106  9.9970    11.017    9.0680    17.197    10.644    14.347    10.273  4.1149  9.9977  3.8296  0.2757368      5.621214 
1 1 1 -27 -11 16 o 40.972  2.2462  236.505   24.445    229.468   34.679    243.454   34.462    40.324  3.2381  41.619  3.1140  -1.295734      4.492472 
1 1 1 -27 -11 17 o 16.726  2.8838  42.370    13.409    24.537    19.117    59.642    18.813    13.204  4.5056  20.249  3.6007  -7.044910      5.767643 
1 1 1 -27 -11 18 o 51.976  2.2253  379.957   30.819    365.524   43.423    394.608   43.749    50.937  3.1990  53.014  3.0944  -2.077297      4.450694 
1 1 1 -27 -11 19 o 21.522  2.8558  69.505    15.733    52.926    22.356    85.771    22.145    18.643  4.5231  24.400  3.4877  -5.756172      5.711645 
1 1 1 -27 -11 20 o 23.082  2.8235  79.532    16.511    56.932    23.108    103.103   23.599    19.323  4.5416  26.840  3.3560  -7.517269      5.646999 
1 1 1 -27 -11 21 o 22.878  2.8935  79.074    16.816    58.225    23.967    99.287    23.598    19.475  4.6575  26.280  3.4346  -6.805265      5.786944 
1 1 1 -27 -11 22 o 29.992  2.5602  130.260   20.044    142.587   28.288    117.830   28.406    31.562  3.3998  28.422  3.8288  3.140650       5.120402 
1 1 1 -27 -11 23 o 51.201  2.2850  371.329   31.175    368.917   43.915    373.780   44.264    51.035  3.2293  51.368  3.2337  -0.3326759     4.569967 
1 1 1 -27 -11 24 o 13.346  2.8782  20.458    14.142    49.258    19.875    -9.0778   20.128    18.034  4.1939  8.6584  3.9430  9.375831       5.756423 
1 1 1 -27 -11 25 o 15.817  5.1650  38.722    25.166    0.0000    0.0000    38.722    25.166    ?       ?       15.817  5.1650  ?              ?        
1 1 1 -27 -11 26 o 16.640  5.0014  43.710    24.094    43.710    24.094    0.0000    0.0000    16.640  5.0014  ?       ?       ?              ?        
1 1 1 -27 -11 27 o 30.476  2.6776  136.900   21.383    139.040   30.541    134.843   29.949    30.707  3.7939  30.245  3.7794  0.4618778      5.355172 
1 1 1 -27 -11 28 o 51.213  2.4185  379.879   32.979    371.539   46.226    388.524   47.065    50.629  3.4290  51.797  3.4115  -1.168232      4.836968 
1 1 1 -27 -11 29 o 31.230  2.8210  147.252   23.018    155.473   32.602    139.081   32.503    32.221  3.8541  30.239  4.1204  1.982454       5.641924 
1 1 1 -27 -11 30 o 12.837  3.0421  25.313    11.717    20.375    23.213    27.002    13.573    12.411  4.8394  13.263  3.6874  -0.8523388     6.084135 
1 1 1 -27 -10 1  o 41.377  2.0352  239.648   22.414    239.729   31.513    239.566   31.887    41.395  2.8597  41.359  2.8967  0.3697586E-01  4.070495 
1 1 1 -27 -10 2  o 32.876  2.9295  151.703   25.526    151.703   25.526    0.0000    0.0000    32.876  2.9295  ?       ?       ?              ?        
1 1 1 -27 -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 11 o 9.5986  3.8157  7.8802    14.678    7.8802    14.678    0.0000    0.0000    9.5986  3.8157  ?       ?       ?              ?        
1 1 1 -27 -10 12 o 13.062  2.8860  24.508    11.152    24.280    16.928    24.683    14.823    13.068  4.2343  13.055  3.9226  0.1290131E-01  5.772045 
1 1 1 -27 -10 13 o 36.866  2.1861  190.970   21.306    178.959   30.711    202.116   29.583    35.653  3.2516  38.079  2.9228  -2.425976      4.372147 
1 1 1 -27 -10 14 o 18.470  2.7559  49.899    13.209    58.201    19.311    42.599    18.108    19.991  3.7439  16.949  4.0451  3.042599       5.511788 
1 1 1 -27 -10 15 o 27.498  2.4522  108.496   17.307    131.406   24.711    86.438    24.247    30.585  3.0574  24.411  3.8348  6.173977       4.904394 
1 1 1 -27 -10 16 o 30.596  2.3049  132.558   18.567    125.730   26.370    139.269   26.146    29.752  3.3684  31.440  3.1471  -1.687601      4.609783 
1 1 1 -27 -10 17 o 38.238  2.2322  206.571   22.472    179.319   31.813    233.711   31.748    35.562  3.3805  40.915  2.9161  -5.352554      4.464475 
1 1 1 -27 -10 18 o 18.847  2.8863  52.982    14.155    48.170    20.225    57.602    19.818    17.908  4.2755  19.785  3.8784  -1.877283      5.772510 
1 1 1 -27 -10 19 o 20.331  2.8823  61.422    15.143    58.731    21.630    64.009    21.208    19.825  4.2039  20.837  3.9443  -1.012577      5.764569 
1 1 1 -27 -10 20 o 56.699  2.2373  452.233   33.831    436.202   47.470    468.780   48.227    55.646  3.1983  57.752  3.1294  -2.106415      4.474662 
1 1 1 -27 -10 21 o 9.0938  2.6291  -1.6986   11.741    16.605    16.200    -21.9539  17.042    11.385  4.1252  6.8024  3.2605  4.582710       5.258158 
1 1 1 -27 -10 22 o 43.868  2.2702  272.406   26.426    250.663   37.138    294.707   37.610    42.000  3.3285  45.737  3.0882  -3.737698      4.540465 
1 1 1 -27 -10 23 o 16.205  3.1247  38.841    15.211    17.565    21.179    61.507    21.860    12.166  4.6547  20.245  4.1701  -8.079628      6.249462 
1 1 1 -27 -10 24 o 26.595  2.7270  104.072   18.726    92.439    26.650    115.416   26.317    24.933  4.1355  28.258  3.5558  -3.325064      5.453988 
1 1 1 -27 -10 25 o 17.715  3.3609  48.800    16.281    48.075    23.114    49.514    22.937    17.574  4.7827  17.855  4.7231  -0.2810097     6.721737 
1 1 1 -27 -10 26 f 34.792  3.9351  177.864   36.026    0.0000    0.0000    177.864   36.026    ?       ?       34.792  3.9351  ?              ?        
1 1 1 -27 -10 27 o 58.772  4.0291  547.272   49.059    546.251   55.224    551.097   106.853   61.758  3.3510  55.786  7.3284  5.971939       8.058252 
1 1 1 -27 -10 28 o 18.863  3.0228  59.901    14.271    40.173    25.948    68.457    17.088    15.902  5.2471  21.824  3.0028  -5.921456      6.045586 
1 1 1 -27 -10 29 o 22.858  2.6759  70.376    14.968    106.533   27.122    54.541    17.949    26.637  3.9185  19.080  3.6451  7.557285       5.351767 
1 1 1 -27 -10 30 o 33.303  2.6016  172.169   20.632    141.968   35.174    188.011   25.475    30.158  4.4914  36.448  2.6270  -6.290159      5.203215 
1 1 1 -27 -9  1  o 27.934  2.1029  109.820   15.482    105.661   21.861    114.003   21.928    27.372  3.0328  28.496  2.9139  -1.124437      4.205812 
1 1 1 -27 -9  2  o 15.765  2.7321  36.844    11.451    34.834    16.557    38.686    15.855    15.317  3.9942  16.212  3.7288  -0.8952932     5.464265 
1 1 1 -27 -9  3  o 36.281  2.0514  183.615   19.769    182.907   27.984    184.321   27.930    36.207  2.9102  36.356  2.8921  -0.1493721     4.102838 
1 1 1 -27 -9  4  o 10.438  2.1990  11.073    7.2111    28.147    12.157    1.8046    8.9568    13.923  3.3087  6.9523  2.8975  6.971102       4.398054 
1 1 1 -27 -9  5  o 40.974  2.0199  232.917   21.978    254.477   31.621    212.769   30.568    42.858  2.7694  39.090  2.9411  3.768024       4.039766 
1 1 1 -27 -9  6  o 10.239  2.4276  13.455    8.5633    2.5298    13.424    20.952    11.120    8.4204  3.5312  12.057  3.3322  -3.636661      4.855164 
1 1 1 -27 -9  7  o 20.559  2.4014  60.641    12.685    58.352    18.811    62.549    17.177    20.108  3.6261  21.011  3.1494  -0.9031601     4.802822 
1 1 1 -27 -9  8  o 9.6037  2.5762  9.5909    9.0051    11.546    14.079    8.2373    11.715    10.174  3.8173  9.0333  3.4605  1.140733       5.152357 
1 1 1 -27 -9  9  o 28.017  2.1704  109.983   15.979    110.079   23.427    109.900   21.850    27.983  3.1822  28.051  2.9524  -0.6822586E-01 4.340830 
1 1 1 -27 -9  10 o 5.6331  1.8500  -6.9976   6.4463    -14.5325  11.694    -3.7084   7.7263    5.7606  2.7446  5.5056  2.4814  0.2549739      3.700033 
1 1 1 -27 -9  11 o 14.072  2.7232  29.292    10.646    24.052    16.152    33.317    14.155    13.011  4.1279  15.133  3.5530  -2.121696      5.446371 
1 1 1 -27 -9  12 o 38.554  2.7642  205.562   25.508    228.759   48.159    196.517   30.072    39.550  4.6339  37.557  3.0148  1.993153       5.528347 
1 1 1 -27 -9  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -9  15 o 10.252  2.7031  10.877    10.511    1.4507    15.584    18.745    14.237    8.8191  3.7562  11.685  3.8882  -2.866302      5.406240 
1 1 1 -27 -9  16 o 25.622  2.7576  100.376   16.826    49.798    23.633    152.372   23.962    18.117  4.7952  33.128  2.7246  -15.01143      5.515242 
1 1 1 -27 -9  17 o 22.198  2.7071  72.138    15.333    56.057    21.454    88.926    21.920    19.408  4.2452  24.989  3.3602  -5.580507      5.414105 
1 1 1 -27 -9  18 o 16.446  3.0479  40.492    13.759    32.147    19.327    49.067    19.591    14.732  4.4910  18.161  4.1218  -3.429664      6.095773 
1 1 1 -27 -9  19 o 11.074  2.7672  11.955    11.640    28.334    16.497    -4.2883   16.428    13.872  4.1314  8.2771  3.6826  5.594720       5.534473 
1 1 1 -27 -9  20 o 12.052  3.0587  18.987    12.536    18.406    17.159    19.652    18.361    11.869  4.2526  12.235  4.3974  -0.3656492     6.117329 
1 1 1 -27 -9  21 o 19.444  2.9394  56.547    14.846    58.534    20.913    54.530    21.078    19.833  4.0731  19.055  4.2391  0.7773399      5.878778 
1 1 1 -27 -9  22 o 33.552  2.3255  160.305   20.419    186.307   29.255    135.604   28.514    36.375  3.0302  30.729  3.5284  5.646832       4.650962 
1 1 1 -27 -9  23 o 23.774  2.8312  83.663    17.348    77.392    24.674    89.794    24.397    22.766  4.2012  24.782  3.7965  -2.016294      5.662427 
1 1 1 -27 -9  24 o 24.314  2.8071  87.290    17.633    87.226    25.485    87.349    24.422    24.251  4.0675  24.377  3.8697  -0.1257553     5.614175 
1 1 1 -27 -9  25 o 8.1007  2.6280  -10.3855  12.972    -8.1986   18.343    -12.5734  18.347    8.3061  3.7754  7.8953  3.6568  0.4107704      5.256073 
1 1 1 -27 -9  26 o 38.509  2.1620  212.426   21.113    200.081   34.730    219.664   26.591    37.273  3.5205  39.746  2.5107  -2.473763      4.324033 
1 1 1 -27 -9  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -9  28 o 8.8114  2.5643  3.2293    10.694    -26.1038  21.449    12.934    12.337    7.6057  3.6488  10.017  3.6041  -2.411375      5.128673 
1 1 1 -27 -9  29 o 29.691  2.7585  138.729   19.014    109.786   32.938    153.193   23.285    26.415  4.8336  32.967  2.6596  -6.552391      5.516971 
1 1 1 -27 -9  30 o 9.5958  2.7308  -3.3336   10.443    26.289    20.731    -13.4054  12.088    13.277  4.6831  5.9150  2.8102  7.361723       5.461562 
1 1 1 -27 -9  31 o 13.436  3.2567  26.323    12.929    32.084    25.246    24.275    15.053    14.274  5.1532  12.599  3.9836  1.675801       6.513425 
1 1 1 -27 -8  1  o 9.4140  2.6001  8.3925    9.5081    5.0235    14.771    10.776    12.424    9.1404  3.7568  9.6875  3.5956  -0.5471478     5.200130 
1 1 1 -27 -8  2  o 27.571  2.2103  106.943   16.030    110.242   22.831    103.736   22.511    28.008  3.0951  27.135  3.1563  0.8731575      4.420620 
1 1 1 -27 -8  3  o 20.583  2.5032  62.205    12.897    88.540    18.589    37.761    17.909    25.192  2.8023  15.974  4.1486  9.217964       5.006430 
1 1 1 -27 -8  4  f 51.483  2.0254  367.262   27.786    354.405   39.748    379.550   38.858    50.548  2.9485  52.417  2.7776  -1.868664      4.050823 
1 1 1 -27 -8  5  o 31.303  2.0797  136.124   17.167    152.107   24.876    121.594   23.720    33.110  2.8323  29.496  3.0462  3.613716       4.159434 
1 1 1 -27 -8  6  o 46.804  1.9998  302.001   24.900    330.413   36.118    276.268   34.373    48.935  2.7670  44.674  2.8881  4.260933       3.999640 
1 1 1 -27 -8  7  o 7.7672  2.2825  0.7069    7.8063    7.7489    12.583    -3.6997   9.9534    9.1468  3.5640  6.3875  2.8524  2.759244       4.564911 
1 1 1 -27 -8  8  o 30.516  2.1132  130.156   16.955    123.861   24.867    135.624   23.179    29.746  3.1699  31.287  2.7954  -1.540321      4.226359 
1 1 1 -27 -8  9  o 14.486  2.6968  30.436    10.526    31.430    16.122    29.697    13.898    14.671  3.9948  14.300  3.6238  0.3710022      5.393593 
1 1 1 -27 -8  10 f 15.063  2.5510  34.421    10.934    14.715    16.246    50.736    14.782    11.169  4.1182  18.958  3.0119  -7.788745      5.102081 
1 1 1 -27 -8  11 o 55.413  2.1373  425.121   31.592    437.266   45.362    413.681   44.025    56.181  3.0256  54.644  3.0196  1.536510       4.274655 
1 1 1 -27 -8  12 o 16.995  2.5768  44.324    12.179    15.591    17.645    70.472    16.833    11.538  4.2843  22.453  2.8641  -10.91580      5.153524 
1 1 1 -27 -8  13 o 22.844  2.4185  74.395    14.287    68.521    20.422    80.026    19.995    21.868  3.6127  23.820  3.2163  -1.951447      4.836921 
1 1 1 -27 -8  14 o 29.190  2.2964  120.661   17.409    101.849   24.785    138.981   24.459    26.774  3.5432  31.606  2.9223  -4.831942      4.592851 
1 1 1 -27 -8  15 o 19.517  3.7053  55.138    18.661    0.0000    0.0000    55.138    18.661    ?       ?       19.517  3.7053  ?              ?        
1 1 1 -27 -8  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -8  17 o 29.985  2.2794  127.004   17.891    142.428   25.353    111.705   25.250    31.919  3.0007  28.052  3.4321  3.866684       4.558898 
1 1 1 -27 -8  18 o 31.596  2.2675  140.900   18.830    155.183   26.664    126.693   26.594    33.295  3.0228  29.896  3.3806  3.399574       4.534933 
1 1 1 -27 -8  19 o 25.390  2.5737  92.714    16.998    91.269    23.748    94.233    24.341    25.191  3.6240  25.588  3.6554  -0.3975811     5.147354 
1 1 1 -27 -8  20 o 52.206  2.1975  381.943   30.589    380.780   43.054    383.129   43.467    52.133  3.0971  52.279  3.1184  -0.1452408     4.395030 
1 1 1 -27 -8  21 o 8.6379  2.5571  -7.4762   11.578    -28.7889  16.149    15.063    16.607    6.0991  2.9814  11.177  4.1553  -5.077494      5.114171 
1 1 1 -27 -8  22 o 23.412  2.7762  80.579    16.771    75.774    23.778    85.337    23.659    22.627  4.0731  24.197  3.7736  -1.570107      5.552499 
1 1 1 -27 -8  23 o 12.171  3.1420  18.974    13.435    14.631    19.039    23.280    18.960    11.426  4.4029  12.916  4.4836  -1.490568      6.283959 
1 1 1 -27 -8  24 o 18.214  2.7188  43.428    12.340    72.224    22.154    30.474    14.858    22.127  3.8794  14.302  3.8102  7.824649       5.437590 
1 1 1 -27 -8  25 o 13.123  2.8193  26.795    11.055    13.488    20.354    32.364    13.166    11.414  4.5071  14.833  3.3882  -3.419254      5.638617 
1 1 1 -27 -8  26 o 23.414  2.6302  79.437    14.976    83.038    26.224    77.693    18.244    23.460  4.3330  23.367  2.9829  0.9248543E-01  5.260457 
1 1 1 -27 -8  27 o 9.6716  2.4721  8.5214    10.395    -28.6632  20.317    21.708    12.099    7.1926  3.4755  12.150  3.5165  -4.957840      4.944150 
1 1 1 -27 -8  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -8  29 o 17.280  3.2102  46.214    14.385    48.116    25.454    45.321    17.437    17.260  5.1300  17.301  3.8607  -0.4110336E-01 6.420409 
1 1 1 -27 -8  30 o 21.395  3.1387  72.747    16.243    67.333    29.174    75.179    19.555    20.137  5.3268  22.654  3.3214  -2.516821      6.277425 
1 1 1 -27 -8  31 o 23.197  2.8500  75.627    15.958    103.673   29.609    64.144    18.945    25.702  4.4629  20.693  3.5457  5.009296       5.699963 
1 1 1 -27 -7  1  o 23.819  2.2417  80.154    13.916    85.820    19.744    74.562    19.615    24.714  3.0472  22.924  3.2888  1.790157       4.483469 
1 1 1 -27 -7  2  o 35.618  1.9939  175.831   18.862    180.822   26.796    170.930   26.556    36.134  2.7903  35.102  2.8491  1.032349       3.987831 
1 1 1 -27 -7  3  o 15.640  2.5520  36.368    10.603    26.208    15.609    45.071    14.447    13.482  4.0195  17.799  3.1455  -4.316032      5.104021 
1 1 1 -27 -7  4  o 10.653  2.3548  12.898    7.9616    26.150    12.667    4.2442    10.236    13.447  3.4874  7.8582  3.1650  5.588801       4.709505 
1 1 1 -27 -7  5  o 23.947  2.1664  80.391    13.540    79.937    19.824    80.788    18.537    23.841  3.1840  24.053  2.9384  -0.2116261     4.332703 
1 1 1 -27 -7  6  o 32.077  2.0071  142.208   17.035    146.349   24.984    138.611   23.289    32.492  2.9012  31.661  2.7741  0.8310070      4.014104 
1 1 1 -27 -7  7  o 21.921  2.2314  67.097    12.663    76.358    18.830    59.451    17.110    23.337  3.0884  20.505  3.2214  2.831366       4.462713 
1 1 1 -27 -7  8  o 24.365  2.1727  82.987    13.814    84.131    20.464    82.029    18.723    24.479  3.1974  24.252  2.9426  0.2277203      4.345358 
1 1 1 -27 -7  9  o 23.218  2.2092  75.535    13.373    77.660    19.501    73.648    18.374    23.512  3.1779  22.923  3.0697  0.5891857      4.418340 
1 1 1 -27 -7  10 o 17.281  2.5642  42.941    11.449    44.752    17.056    41.456    15.447    17.587  3.7360  16.975  3.5132  0.6126213      5.128366 
1 1 1 -27 -7  11 f 40.709  2.0768  228.930   22.460    246.201   32.314    212.791   31.239    42.226  2.8742  39.191  2.9986  3.035248       4.153625 
1 1 1 -27 -7  12 o 45.791  2.1161  290.652   25.758    273.999   36.750    306.733   36.113    44.437  3.1071  47.145  2.8736  -2.707188      4.232216 
1 1 1 -27 -7  13 o 26.025  2.3465  96.553    15.646    77.942    22.367    114.389   21.895    23.352  3.6993  28.697  2.8877  -5.345675      4.692942 
1 1 1 -27 -7  14 o 25.128  2.3491  89.134    15.362    97.888    21.883    80.627    21.570    26.424  3.1542  23.831  3.4821  2.592939       4.698243 
1 1 1 -27 -7  15 o 9.3101  2.6384  6.6480    10.009    7.3367    14.179    5.9641    14.131    9.4341  3.7503  9.1862  3.7121  0.2478323      5.276808 
1 1 1 -27 -7  16 o 19.284  2.7172  54.487    13.523    43.527    19.162    65.361    19.087    17.166  4.2015  21.402  3.4467  -4.235619      5.434361 
1 1 1 -27 -7  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -7  18 o 38.371  3.0217  205.361   30.805    205.361   30.805    0.0000    0.0000    38.371  3.0217  ?       ?       ?              ?        
1 1 1 -27 -7  19 o 40.992  2.1638  234.964   23.570    243.033   33.210    226.775   33.457    41.743  2.9901  40.241  3.1287  1.502575       4.327692 
1 1 1 -27 -7  20 o 42.581  2.1737  254.087   24.573    236.275   34.695    272.016   34.809    41.008  3.1836  44.153  2.9605  -3.144272      4.347443 
1 1 1 -27 -7  21 o 40.789  1.9470  226.444   20.714    255.652   33.519    208.399   26.347    42.772  2.9437  38.805  2.5490  3.966778       3.893974 
1 1 1 -27 -7  22 o 15.207  2.7905  35.275    11.059    30.087    19.783    37.633    13.337    14.287  4.5721  16.127  3.2006  -1.839287      5.581026 
1 1 1 -27 -7  23 o 24.632  2.6368  96.441    14.951    65.985    25.351    112.683   18.513    20.770  4.6702  28.494  2.4496  -7.723171      5.273618 
1 1 1 -27 -7  24 o 39.620  2.0594  220.707   20.985    218.587   34.106    221.999   26.620    39.227  3.2761  40.013  2.4963  -0.7861824     4.118730 
1 1 1 -27 -7  25 o 40.160  2.0590  220.487   21.397    253.263   35.429    201.667   26.847    42.296  3.1499  38.024  2.6526  4.271965       4.118025 
1 1 1 -27 -7  26 o 21.211  2.7357  65.095    14.023    71.068    25.117    62.390    16.903    21.575  4.4923  20.847  3.1234  0.7285194      5.471421 
1 1 1 -27 -7  27 o 11.840  3.0867  17.467    12.053    20.041    22.329    16.408    14.319    12.622  4.7913  11.058  3.8930  1.563298       6.173423 
1 1 1 -27 -7  28 o 23.170  5.1923  85.604    31.425    0.0000    0.0000    85.604    31.425    ?       ?       23.170  5.1923  ?              ?        
1 1 1 -27 -7  29 o 25.995  3.0824  114.884   18.102    73.122    31.708    135.077   22.048    21.025  5.5493  30.964  2.6850  -9.939186      6.164730 
1 1 1 -27 -7  30 o 13.368  3.2086  26.047    12.855    27.837    24.124    25.337    15.192    13.783  5.0279  12.953  3.9875  0.8299017      6.417164 
1 1 1 -27 -7  31 o 29.763  2.6630  128.356   19.383    144.985   34.718    120.826   23.363    30.618  4.3562  28.907  3.0642  1.711241       5.325974 
1 1 1 -27 -7  32 o 8.1375  2.5967  -2.7301   9.7618    0.6839    21.496    -3.6171   10.957    9.6732  4.2624  6.6019  2.9672  3.071224       5.193490 
1 1 1 -27 -6  1  o 15.303  2.5351  33.782    10.328    43.375    15.025    25.189    14.220    17.394  3.3464  13.212  3.8091  4.182096       5.070271 
1 1 1 -27 -6  2  o 40.366  1.9631  224.959   21.082    221.134   30.173    228.608   29.469    40.004  2.8343  40.728  2.7169  -0.7237701     3.926168 
1 1 1 -27 -6  3  o 22.641  2.2347  72.590    13.068    65.814    19.026    78.641    17.980    21.529  3.4132  23.752  2.8855  -2.222921      4.469439 
1 1 1 -27 -6  4  o 23.093  2.1386  74.500    12.894    76.907    18.813    72.368    17.707    23.435  3.0711  22.752  2.9770  0.6826897      4.277176 
1 1 1 -27 -6  5  o 9.7986  2.3836  12.345    7.5655    10.358    11.722    13.764    9.9046    9.5258  3.5003  10.071  3.2364  -0.5455103     4.767156 
1 1 1 -27 -6  6  o 32.456  1.9704  144.972   16.938    154.824   24.719    136.253   23.255    33.502  2.7798  31.410  2.7933  2.091434       3.940801 
1 1 1 -27 -6  7  o 11.710  2.5003  19.285    8.4763    18.840    12.697    19.643    11.385    11.649  3.6553  11.771  3.4124  -0.1219816     5.000616 
1 1 1 -27 -6  8  o 27.541  2.0612  104.716   14.867    121.746   21.795    89.895    20.332    29.691  2.7727  25.391  3.0507  4.300077       4.122478 
1 1 1 -27 -6  9  o 24.898  2.1247  86.021    13.817    97.336    20.203    76.079    18.938    26.484  2.8952  23.313  3.1105  3.171612       4.249426 
1 1 1 -27 -6  10 o 22.562  2.2514  71.212    13.071    85.970    19.136    58.305    17.896    24.860  2.9301  20.264  3.4189  4.596357       4.502732 
1 1 1 -27 -6  11 o 35.177  2.0576  171.152   19.196    166.885   27.460    175.229   26.845    34.718  2.9819  35.636  2.8360  -0.9176407     4.115118 
1 1 1 -27 -6  12 o 22.760  2.3767  74.089    13.810    60.761    19.861    86.568    19.217    20.580  3.7407  24.939  2.9328  -4.359045      4.753381 
1 1 1 -27 -6  13 o 27.246  2.2123  103.742   15.837    100.682   22.582    106.704   22.217    26.818  3.2074  27.674  3.0478  -0.8566341     4.424523 
1 1 1 -27 -6  14 o 19.676  2.5704  55.709    13.015    63.068    18.461    48.438    18.351    21.081  3.3838  18.271  3.8702  2.810036       5.140880 
1 1 1 -27 -6  15 f 15.805  2.8024  36.494    11.932    42.977    16.971    30.157    16.778    17.202  3.7859  14.407  4.1328  2.795224       5.604790 
1 1 1 -27 -6  16 o 13.240  2.9196  24.935    11.475    24.874    16.290    24.994    16.167    13.230  4.1385  13.249  4.1193  -0.1951599E-01 5.839149 
1 1 1 -27 -6  17 o 21.620  2.5908  67.850    14.282    81.940    20.152    53.629    20.245    24.111  3.1994  19.130  4.0758  4.981255       5.181532 
1 1 1 -27 -6  18 o 61.883  3.8271  542.677   63.123    0.0000    0.0000    542.677   63.123    ?       ?       61.883  3.8271  ?              ?        
1 1 1 -27 -6  19 o 75.952  4.8376  846.148   97.903    846.148   97.903    0.0000    0.0000    75.952  4.8376  ?       ?       ?              ?        
1 1 1 -27 -6  20 o 10.131  2.3425  11.791    9.3333    -15.0237  16.316    24.834    11.379    7.1782  3.3655  13.083  3.2593  -5.904689      4.685003 
1 1 1 -27 -6  21 o 33.737  2.0438  159.249   17.630    158.062   28.879    159.955   22.259    33.444  3.2655  34.030  2.4586  -0.5853081     4.087568 
1 1 1 -27 -6  22 o 11.937  2.7368  18.619    9.4975    25.754    16.836    15.289    11.502    13.315  4.2132  10.559  3.4940  2.755276       5.473505 
1 1 1 -27 -6  23 o 26.870  2.3101  103.363   15.526    101.087   25.804    104.655   19.438    26.377  3.7586  27.362  2.6869  -0.9850578     4.620244 
1 1 1 -27 -6  24 f 35.769  2.1763  181.964   19.767    175.461   32.550    185.763   24.879    34.973  3.5228  36.564  2.5564  -1.591171      4.352652 
1 1 1 -27 -6  25 f 33.969  2.1930  163.510   18.790    163.046   31.582    163.764   23.377    33.642  3.5589  34.297  2.5633  -0.6544228     4.385913 
1 1 1 -27 -6  26 o 27.187  2.4219  105.364   16.286    110.299   28.113    102.871   19.980    27.355  3.9515  27.020  2.8015  0.3350525      4.843825 
1 1 1 -27 -6  27 o 9.2348  2.6695  6.5759    10.143    -1.4759   18.898    9.8339    12.021    9.1388  4.0126  9.3308  3.5219  -0.1919794     5.338999 
1 1 1 -27 -6  28 o 13.661  3.0528  29.231    12.795    14.763    23.764    35.138    15.184    12.017  4.8286  15.305  3.7365  -3.288387      6.105502 
1 1 1 -27 -6  29 o 19.698  5.3757  63.461    29.153    63.461    29.153    0.0000    0.0000    19.698  5.3757  ?       ?       ?              ?        
1 1 1 -27 -6  30 o 27.295  2.7957  108.346   18.528    121.399   33.186    102.435   22.333    27.981  4.5868  26.609  3.1976  1.372736       5.591405 
1 1 1 -27 -6  31 o 20.666  3.1666  64.140    15.816    76.365    29.349    59.137    18.775    21.515  5.1595  19.816  3.6726  1.699265       6.333117 
1 1 1 -27 -6  32 o 16.557  3.3647  43.883    14.631    47.205    28.172    42.656    17.120    16.572  5.4673  16.542  3.9234  0.3046799E-01  6.729418 
1 1 1 -27 -5  1  o 16.771  2.3206  41.588    9.9692    27.806    14.488    53.984    13.739    13.860  3.7925  19.683  2.6755  -5.822918      4.641233 
1 1 1 -27 -5  2  o 49.510  1.9701  337.981   25.953    321.818   37.409    352.980   36.037    48.306  2.9047  50.714  2.6622  -2.407887      3.940183 
1 1 1 -27 -5  3  o 46.779  1.9474  300.422   24.277    310.518   35.099    291.160   33.616    47.528  2.7692  46.030  2.7389  1.497101       3.894840 
1 1 1 -27 -5  4  o 15.450  2.3184  34.242    9.2731    32.816    13.668    35.459    12.622    15.105  3.4535  15.796  3.0941  -0.6907225     4.636858 
1 1 1 -27 -5  5  o 33.852  1.9307  157.648   17.341    159.482   25.131    155.981   23.959    34.024  2.7820  33.680  2.6779  0.3435898      3.861435 
1 1 1 -27 -5  6  o 13.249  2.4563  25.154    8.7886    25.460    13.159    24.908    11.808    13.318  3.6020  13.180  3.3406  0.1379690      4.912642 
1 1 1 -27 -5  7  o 43.601  1.9615  260.834   22.773    268.006   32.939    254.267   31.520    44.167  2.7989  43.035  2.7489  1.131844       3.923011 
1 1 1 -27 -5  8  o 9.6065  2.2862  11.524    7.4351    3.7404    11.292    17.481    9.8790    8.0896  3.3001  11.123  3.1648  -3.033748      4.572327 
1 1 1 -27 -5  9  o 52.636  2.0618  380.557   28.910    410.370   41.583    352.664   40.221    54.666  2.8498  50.607  2.9804  4.058849       4.123632 
1 1 1 -27 -5  10 o 11.795  2.5147  19.031    8.6629    24.338    12.963    14.748    11.645    13.037  3.5956  10.553  3.5168  2.484515       5.029480 
1 1 1 -27 -5  11 o 14.519  2.4952  30.139    9.7336    38.480    14.124    22.595    13.432    16.418  3.3258  12.619  3.7206  3.799266       4.990394 
1 1 1 -27 -5  12 o 46.401  2.0648  296.551   25.528    303.616   36.265    289.611   35.941    46.960  2.8973  45.841  2.9427  1.119469       4.129643 
1 1 1 -27 -5  13 o 11.237  2.4681  14.895    9.2132    29.354    13.513    2.3358    12.594    14.267  3.5504  8.2075  3.4295  6.059416       4.936293 
1 1 1 -27 -5  14 o 49.852  2.0866  343.391   27.670    367.671   38.992    318.759   39.272    51.696  2.8267  48.009  3.0701  3.686802       4.173237 
1 1 1 -27 -5  15 o 25.133  2.3675  89.541    15.200    110.361   21.773    69.747    21.229    28.188  2.9265  22.078  3.7223  6.109541       4.734974 
1 1 1 -27 -5  16 o 23.982  1.9949  76.645    12.276    97.470    20.146    64.346    15.482    26.473  2.8880  21.492  2.7528  4.981733       3.989837 
1 1 1 -27 -5  17 o 41.990  1.8714  239.844   20.637    259.113   32.510    226.840   26.708    43.315  2.8175  40.664  2.4637  2.651329       3.742742 
1 1 1 -27 -5  18 o 57.872  1.9473  458.638   29.866    475.504   46.010    446.356   39.262    58.687  2.9270  57.057  2.5691  1.630707       3.894528 
1 1 1 -27 -5  19 o 23.709  4.0178  81.668    24.603    0.0000    0.0000    81.668    24.603    ?       ?       23.709  4.0178  ?              ?        
1 1 1 -27 -5  20 o 18.966  2.7178  53.587    13.332    38.089    19.032    68.520    18.682    15.991  4.3348  21.941  3.2795  -5.949710      5.435597 
1 1 1 -27 -5  21 o 20.860  2.4733  62.266    12.729    64.035    21.583    61.322    15.763    20.872  4.0064  20.849  2.9013  0.2257538E-01  4.946565 
1 1 1 -27 -5  22 o 32.585  2.2019  153.712   17.927    134.525   29.341    165.140   22.645    30.607  3.6512  34.564  2.4621  -3.957031      4.403764 
1 1 1 -27 -5  23 o 18.024  2.8329  52.512    12.908    34.836    22.342    61.367    15.814    15.238  4.8570  20.810  2.9172  -5.572501      5.665730 
1 1 1 -27 -5  24 f 44.351  2.1012  278.988   23.918    264.212   38.664    288.147   30.441    43.090  3.3769  45.612  2.5012  -2.521408      4.202357 
1 1 1 -27 -5  25 o 11.398  2.8749  17.505    10.846    9.5872    20.399    20.625    12.807    10.870  4.4350  11.927  3.6594  -1.057480      5.749809 
1 1 1 -27 -5  26 o 14.102  2.9159  23.599    11.515    49.490    21.235    12.816    13.705    17.960  4.4397  10.245  3.7815  7.714800       5.831808 
1 1 1 -27 -5  27 o 26.827  2.6161  100.781   17.292    119.158   30.703    92.243    20.927    28.263  4.1820  25.391  3.1443  2.872139       5.232151 
1 1 1 -27 -5  28 o 22.643  3.0100  79.681    16.237    71.374    28.951    83.493    19.611    21.147  5.1574  24.139  3.1052  -2.991692      6.020063 
1 1 1 -27 -5  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -5  30 o 19.402  3.2933  62.854    16.371    48.418    29.227    69.454    19.762    17.121  5.5649  21.684  3.5235  -4.563705      6.586630 
1 1 1 -27 -5  31 o 9.0819  2.6701  -4.9045   9.8411    22.005    20.371    -13.0969  11.240    12.510  4.6116  5.6537  2.6929  6.856513       5.340265 
1 1 1 -27 -5  32 o 28.242  2.7804  113.944   19.453    148.287   34.616    98.093    23.517    30.853  4.3062  25.631  3.5183  5.221796       5.560772 
1 1 1 -27 -4  1  o 55.310  3.6487  427.817   53.751    0.0000    0.0000    427.817   53.751    ?       ?       55.310  3.6487  ?              ?        
1 1 1 -27 -4  2  o 90.942  3.5345  1194.50   85.026    1150.78   127.682   1229.34   113.972   88.878  5.3889  93.006  4.5751  -4.127510      7.069072 
1 1 1 -27 -4  3  o 34.717  2.4543  166.849   20.447    172.088   37.818    164.685   24.306    34.803  4.1380  34.631  2.6402  0.1715355      4.908505 
1 1 1 -27 -4  4  o 32.458  2.4609  146.391   19.174    149.430   35.185    145.108   22.867    32.416  4.1475  32.501  2.6499  -0.8480072E-01 4.921793 
1 1 1 -27 -4  5  o 32.905  3.3209  150.717   28.869    0.0000    0.0000    150.717   28.869    ?       ?       32.905  3.3209  ?              ?        
1 1 1 -27 -4  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -4  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -4  8  o 16.998  3.1101  42.585    12.886    43.911    14.730    38.263    26.602    17.606  3.2431  16.391  5.3078  1.214758       6.220164 
1 1 1 -27 -4  9  o 9.9691  2.3310  13.151    7.3409    9.7107    11.057    15.863    9.8166    9.2705  3.4006  10.668  3.1893  -1.397170      4.662089 
1 1 1 -27 -4  10 o 32.964  2.0298  149.970   17.716    144.899   25.425    154.756   24.700    32.387  2.9638  33.540  2.7743  -1.153492      4.059651 
1 1 1 -27 -4  11 o 12.371  2.5457  21.743    8.9721    19.551    13.098    23.680    12.315    11.874  3.7105  12.869  3.4862  -0.9949837     5.091308 
1 1 1 -27 -4  12 o 44.094  2.3004  266.265   26.523    253.181   34.161    286.122   42.084    42.851  2.9952  45.338  3.4924  -2.486664      4.600862 
1 1 1 -27 -4  13 o 31.443  1.8449  133.813   15.114    146.253   24.181    125.838   19.362    32.572  2.7988  30.314  2.4043  2.258530       3.689739 
1 1 1 -27 -4  14 o 23.319  2.2031  81.200    12.307    59.110    19.852    94.987    15.684    20.292  3.7920  26.346  2.2439  -6.054159      4.406149 
1 1 1 -27 -4  15 f 32.681  1.9356  148.820   16.259    140.297   25.958    154.323   20.858    31.771  3.0895  33.591  2.3327  -1.820597      3.871177 
1 1 1 -27 -4  16 o 50.243  1.9678  352.965   25.726    315.103   39.750    380.252   33.746    47.677  3.1301  52.810  2.3857  -5.133114      3.935632 
1 1 1 -27 -4  17 f 35.392  1.8849  171.442   17.381    178.447   27.674    166.878   22.336    35.896  2.9032  34.888  2.4049  1.008232       3.769891 
1 1 1 -27 -4  18 f 19.674  2.4291  56.735    11.679    50.488    19.605    60.172    14.541    18.567  4.0558  20.781  2.6745  -2.213692      4.858232 
1 1 1 -27 -4  19 o 29.201  2.0677  119.562   15.307    116.069   25.145    121.618   19.293    28.687  3.3346  29.714  2.4458  -1.026976      4.135453 
1 1 1 -27 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -4  21 f 22.439  2.3517  67.578    13.278    91.337    22.406    54.718    16.485    25.324  3.3883  19.555  3.2623  5.769112       4.703497 
1 1 1 -27 -4  22 o 44.278  2.2032  289.101   24.236    221.933   38.797    332.086   31.037    39.365  3.7238  49.191  2.3556  -9.825386      4.406306 
1 1 1 -27 -4  23 f 40.523  2.1104  232.430   21.867    221.434   35.604    239.090   27.708    39.473  3.4007  41.573  2.5000  -2.099617      4.220767 
1 1 1 -27 -4  24 o 46.254  2.1289  299.538   25.406    304.832   41.454    296.353   32.152    46.314  3.3647  46.195  2.6092  0.1195488      4.257831 
1 1 1 -27 -4  25 o 12.417  2.5618  23.501    11.114    -6.9118   19.838    37.412    13.417    8.8060  3.9719  16.028  3.2366  -7.222176      5.123623 
1 1 1 -27 -4  26 o 19.376  2.9032  54.014    13.573    63.240    25.131    50.215    16.127    20.192  4.7297  18.559  3.3683  1.632748       5.806499 
1 1 1 -27 -4  27 o 18.282  3.0673  49.665    13.915    55.094    25.256    47.298    16.675    18.682  4.9630  17.882  3.6059  0.7998714      6.134671 
1 1 1 -27 -4  28 o 23.355  3.0193  85.864    16.863    72.388    29.299    92.539    20.621    21.276  5.1880  25.434  3.0904  -4.158278      6.038674 
1 1 1 -27 -4  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -4  30 o 8.4239  2.6751  -5.7708   11.064    4.4540    21.478    -9.4647   12.909    10.261  4.3910  6.5867  3.0566  3.674330       5.350104 
1 1 1 -27 -4  31 o 20.092  3.2939  65.934    16.435    59.590    29.820    68.701    19.696    18.710  5.5507  21.475  3.5481  -2.765503      6.587778 
1 1 1 -27 -4  32 f 9.6077  2.8260  4.3201    13.229    -24.4818  24.456    16.232    15.728    8.2533  3.9424  10.962  4.0501  -2.708729      5.652041 
1 1 1 -27 -3  1  o 69.921  2.1185  671.125   39.660    683.897   57.071    659.196   55.153    70.550  3.0202  69.292  2.9717  1.257858       4.236996 
1 1 1 -27 -3  2  o 30.404  1.8566  126.737   14.947    136.589   21.677    117.807   20.638    31.546  2.5882  29.261  2.6624  2.284880       3.713107 
1 1 1 -27 -3  3  o 55.077  1.9945  415.653   29.316    427.935   42.090    404.081   40.856    55.868  2.8219  54.286  2.8195  1.582111       3.989088 
1 1 1 -27 -3  4  o 44.232  1.9324  268.395   22.754    259.756   32.627    276.577   31.750    43.506  2.8149  44.959  2.6483  -1.453030      3.864887 
1 1 1 -27 -3  5  o 28.518  1.9140  111.896   14.437    112.252   20.786    111.565   20.066    28.549  2.7523  28.487  2.6606  0.6289482E-01  3.828099 
1 1 1 -27 -3  6  o 31.107  1.9296  133.329   15.867    125.006   22.738    141.228   22.152    30.115  2.8530  32.099  2.5989  -1.984171      3.859203 
1 1 1 -27 -3  7  o 30.530  1.9241  127.959   15.498    144.019   22.373    113.141   21.490    32.418  2.5985  28.643  2.8385  3.774969       3.848254 
1 1 1 -27 -3  8  o 28.749  1.9871  114.088   15.074    110.189   21.749    117.692   20.911    28.240  2.9174  29.258  2.6987  -1.017849      3.974166 
1 1 1 -27 -3  9  o 52.531  3.6534  383.788   51.086    0.0000    0.0000    383.788   51.086    ?       ?       52.531  3.6534  ?              ?        
1 1 1 -27 -3  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -3  11 o 45.119  1.9407  283.546   22.723    253.811   35.345    304.493   29.666    42.894  3.0972  47.344  2.3394  -4.449715      3.881442 
1 1 1 -27 -3  12 o 28.898  1.9467  118.280   14.239    101.739   22.612    129.148   18.329    27.026  3.1849  30.769  2.2393  -3.743282      3.893311 
1 1 1 -27 -3  13 o 5.5310  1.7748  -6.8345   5.2563    1.0824    9.6447    -10.1794  6.2691    7.0878  2.9838  3.9741  1.9229  3.113658       3.549692 
1 1 1 -27 -3  14 o 61.010  2.0214  516.608   32.411    471.785   49.170    551.044   43.099    58.453  3.1522  63.567  2.5313  -5.114235      4.042762 
1 1 1 -27 -3  15 o 79.938  2.2216  888.016   47.039    819.922   70.198    943.511   63.372    76.934  3.4066  82.942  2.8526  -6.007584      4.443172 
1 1 1 -27 -3  16 o 13.191  2.4855  23.979    8.6530    29.447    14.597    21.016    10.744    14.262  3.7657  12.120  3.2450  2.141711       4.970940 
1 1 1 -27 -3  17 o 12.372  2.5133  22.293    8.6059    18.322    14.898    24.282    10.543    11.727  3.9777  13.016  3.0732  -1.289137      5.026573 
1 1 1 -27 -3  18 o 38.673  1.8963  203.911   19.135    217.225   30.596    195.359   24.523    39.609  2.9042  37.737  2.4392  1.872318       3.792614 
1 1 1 -27 -3  19 o 31.393  2.0435  139.496   16.286    127.012   26.274    147.285   20.754    30.041  3.3208  32.746  2.3825  -2.705418      4.087093 
1 1 1 -27 -3  20 o 14.401  3.4268  30.119    13.027    0.0000    0.0000    30.119    13.027    ?       ?       14.401  3.4268  ?              ?        
1 1 1 -27 -3  21 o 40.087  2.3883  224.469   25.274    199.735   33.927    255.307   37.883    37.598  3.4059  42.575  3.3491  -4.976788      4.776665 
1 1 1 -27 -3  22 o 33.953  2.1419  158.328   18.662    175.456   31.076    148.668   23.338    35.206  3.3352  32.700  2.6884  2.506107       4.283843 
1 1 1 -27 -3  23 o 15.143  2.7913  37.641    12.329    13.925    21.269    49.643    15.130    11.685  4.6096  18.601  3.1492  -6.915738      5.582626 
1 1 1 -27 -3  24 o 34.689  2.2355  170.145   19.580    170.980   32.921    169.688   24.355    34.467  3.6201  34.911  2.6238  -0.4437981     4.470953 
1 1 1 -27 -3  25 o 31.741  2.4668  150.192   18.890    128.511   32.223    161.545   23.317    29.426  4.2081  34.056  2.5753  -4.629456      4.933564 
1 1 1 -27 -3  26 o 24.964  2.8023  93.469    16.800    88.097    29.254    96.114    20.522    23.920  4.7335  26.009  3.0009  -2.088610      5.604589 
1 1 1 -27 -3  27 o 22.882  2.8158  74.182    15.893    91.487    27.774    65.757    19.380    24.572  4.3806  21.192  3.5391  3.380407       5.631610 
1 1 1 -27 -3  28 o 22.576  2.8471  72.542    15.717    88.643    27.949    65.095    19.008    24.065  4.5014  21.087  3.4872  2.977699       5.694180 
1 1 1 -27 -3  29 o 23.721  3.2491  81.452    20.101    0.0000    0.0000    81.452    20.101    ?       ?       23.721  3.2491  ?              ?        
1 1 1 -27 -3  30 o 13.068  3.2499  17.042    13.274    45.312    26.023    7.1002    15.432    16.691  5.2323  9.4449  3.8560  7.245664       6.499722 
1 1 1 -27 -3  31 o 26.746  2.9683  107.379   19.324    116.721   33.972    102.911   23.495    27.029  4.8716  26.463  3.3929  0.5669155      5.936695 
1 1 1 -27 -3  32 o 30.744  2.7700  140.930   20.951    152.949   36.650    135.095   25.535    31.098  4.5333  30.390  3.1843  0.7077408      5.539903 
1 1 1 -27 -2  1  o 24.134  1.8491  80.651    11.700    75.309    16.975    85.486    16.149    23.319  2.7721  24.950  2.4480  -1.630882      3.698248 
1 1 1 -27 -2  2  o 40.199  1.8685  221.147   19.998    225.186   28.785    217.379   27.803    40.547  2.6653  39.850  2.6193  0.6968269      3.736966 
1 1 1 -27 -2  3  o 43.464  1.8964  258.517   21.964    260.919   31.470    256.237   30.669    43.654  2.7048  43.275  2.6588  0.3788643      3.792766 
1 1 1 -27 -2  4  o 21.261  2.1063  63.124    11.512    63.865    15.194    62.125    17.639    21.483  2.7001  21.040  3.2335  0.4430733      4.212615 
1 1 1 -27 -2  5  o 37.191  1.7906  191.616   17.244    176.413   27.085    201.980   22.362    35.831  2.8455  38.551  2.1745  -2.719963      3.581261 
1 1 1 -27 -2  6  o 30.326  1.7008  123.728   13.481    136.158   21.432    115.592   17.340    31.534  2.5595  29.117  2.2406  2.417145       3.401664 
1 1 1 -27 -2  7  o 21.335  2.0401  68.384    10.317    46.809    16.592    81.984    13.173    18.130  3.5438  24.539  2.0223  -6.408466      4.080185 
1 1 1 -27 -2  8  o 57.279  1.9639  450.526   29.553    435.122   45.741    461.565   38.719    56.288  3.0452  58.269  2.4808  -1.981209      3.927796 
1 1 1 -27 -2  9  o 53.902  1.9398  397.045   27.490    396.048   42.814    397.744   35.858    53.715  2.9876  54.090  2.4750  -0.3750763     3.879604 
1 1 1 -27 -2  10 o 40.466  1.8300  221.698   19.412    235.540   30.672    212.448   25.073    41.452  2.7786  39.481  2.3821  1.970860       3.659950 
1 1 1 -27 -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -2  12 o 32.588  1.8109  143.717   15.444    155.564   24.389    135.787   19.953    33.652  2.7293  31.524  2.3807  2.128374       3.621704 
1 1 1 -27 -2  13 o 41.906  1.8295  239.124   20.164    247.339   31.367    233.338   26.323    42.453  2.7737  41.360  2.3863  1.093372       3.658924 
1 1 1 -27 -2  14 o 93.298  2.3589  1204.91   58.629    1169.07   86.742    1235.05   79.553    91.854  3.5257  94.743  3.1349  -2.889183      4.717833 
1 1 1 -27 -2  15 o 8.3617  2.3061  5.8195    7.1779    8.2968    12.128    4.4838    8.9051    9.1863  3.5205  7.5371  2.9797  1.649212       4.612202 
1 1 1 -27 -2  16 o 26.415  2.0133  97.088    13.557    95.349    21.951    98.161    17.237    26.101  3.2073  26.729  2.4344  -0.6281319     4.026555 
1 1 1 -27 -2  17 o 48.370  1.8779  317.075   23.924    347.047   37.540    296.576   31.045    50.207  2.8027  46.533  2.5000  3.673790       3.755705 
1 1 1 -27 -2  18 o 14.020  2.6342  29.119    9.8495    24.736    16.837    31.400    12.144    13.239  4.2160  14.802  3.1593  -1.562678      5.268376 
1 1 1 -27 -2  19 o 39.887  1.9490  218.374   20.213    226.597   32.460    213.166   25.832    40.375  3.0236  39.399  2.4602  0.9760246      3.897977 
1 1 1 -27 -2  20 o 8.5644  2.1771  5.0619    8.1877    -21.3267  14.639    17.074    9.8769    6.1741  2.9751  10.955  3.1792  -4.780435      4.354174 
1 1 1 -27 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -2  22 o 16.794  2.6019  34.521    11.217    69.294    20.283    19.201    13.463    21.899  3.5818  11.689  3.7750  10.21043       5.203830 
1 1 1 -27 -2  23 o 60.898  2.0932  504.485   33.580    598.237   53.438    443.310   43.167    65.413  3.0500  56.384  2.8677  9.028904       4.186444 
1 1 1 -27 -2  24 o 20.424  2.9525  69.587    14.760    42.306    25.529    83.287    18.091    16.540  5.1820  24.309  2.8315  -7.769020      5.905087 
1 1 1 -27 -2  25 o 32.265  2.3115  144.765   19.018    163.128   31.973    134.710   23.659    33.608  3.6083  30.921  2.8901  2.686506       4.623024 
1 1 1 -27 -2  26 o 12.366  2.8328  22.966    11.417    6.6344    20.552    30.257    13.731    10.471  4.3785  14.262  3.5954  -3.791751      5.665527 
1 1 1 -27 -2  27 o 29.128  2.4735  119.020   18.114    136.883   31.104    109.853   22.282    30.486  3.8984  27.770  3.0456  2.715227       4.947061 
1 1 1 -27 -2  28 o 29.967  2.7033  137.049   19.436    116.008   32.846    148.387   24.111    27.499  4.6233  32.435  2.8028  -4.935774      5.406564 
1 1 1 -27 -2  29 o 27.202  3.1714  106.478   22.673    0.0000    0.0000    106.478   22.673    ?       ?       27.202  3.1714  ?              ?        
1 1 1 -27 -2  30 o 21.962  3.1732  72.971    17.037    81.965    30.268    68.800    20.612    22.472  5.1402  21.452  3.7223  1.020134       6.346486 
1 1 1 -27 -2  31 o 6.8667  2.3386  -25.0616  10.179    -1.6311   20.186    -33.0502  11.787    9.2542  4.1014  4.4792  2.2480  4.774987       4.677100 
1 1 1 -27 -2  32 o 9.9599  2.9817  4.9731    11.995    15.005    24.293    1.7387    13.794    11.759  4.8236  8.1613  3.5064  3.597208       5.963366 
1 1 1 -27 -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -1  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -1  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -1  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -1  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -1  6  o 30.939  2.8501  143.978   21.218    101.535   33.381    172.749   27.484    26.434  4.8949  35.444  2.9210  -9.010584      5.700209 
1 1 1 -27 -1  7  o 51.521  1.8330  358.816   24.975    380.421   38.670    343.355   32.713    52.759  2.7460  50.283  2.4289  2.475899       3.666050 
1 1 1 -27 -1  8  o 22.446  1.7322  67.683    10.043    76.813    16.233    62.022    12.783    23.621  2.6093  21.272  2.2791  2.349689       3.464478 
1 1 1 -27 -1  9  o 46.658  1.8168  290.366   22.326    340.397   35.189    256.661   28.883    49.932  2.6406  43.384  2.4961  6.547039       3.633575 
1 1 1 -27 -1  10 o 45.267  1.8153  272.935   21.644    327.632   33.976    235.578   28.079    48.993  2.5984  41.542  2.5356  7.451000       3.630582 
1 1 1 -27 -1  11 o 56.412  1.9200  431.412   28.761    453.512   44.076    415.022   37.955    57.609  2.8564  55.216  2.5664  2.392521       3.839969 
1 1 1 -27 -1  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -1  13 o 41.914  1.7808  235.720   19.690    270.806   30.686    211.162   25.673    44.504  2.5854  39.325  2.4495  5.179893       3.561500 
1 1 1 -27 -1  14 o 58.511  1.9405  470.254   29.993    456.543   45.659    480.661   39.779    57.622  2.9684  59.401  2.5002  -1.778889      3.881052 
1 1 1 -27 -1  15 o 46.729  1.8479  296.750   22.760    313.521   35.397    284.929   29.718    47.782  2.7777  45.675  2.4379  2.106964       3.695817 
1 1 1 -27 -1  16 o 44.821  1.8929  277.259   22.148    267.792   34.670    283.786   28.788    44.049  2.9556  45.592  2.3656  -1.542278      3.785724 
1 1 1 -27 -1  17 o 30.175  1.9743  123.331   15.377    137.441   25.202    114.963   19.408    31.448  3.0295  28.902  2.5326  2.545788       3.948644 
1 1 1 -27 -1  18 o 25.487  2.3885  97.968    14.408    72.882    23.928    112.238   18.047    22.389  4.1428  28.585  2.3786  -6.196917      4.777063 
1 1 1 -27 -1  19 o 57.351  2.0055  452.391   30.265    461.634   47.283    445.976   39.392    57.670  3.0721  57.031  2.5787  0.6390266      4.010933 
1 1 1 -27 -1  20 o 26.225  2.3345  100.094   14.949    87.856    25.035    106.877   18.637    24.646  3.9240  27.805  2.5302  -3.158918      4.668977 
1 1 1 -27 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 -1  22 o 26.520  2.3375  96.052    15.733    116.208   26.541    85.132    19.536    28.487  3.5559  24.554  3.0351  3.933428       4.675099 
1 1 1 -27 -1  23 o 21.344  2.7212  63.256    14.388    80.403    24.949    54.712    17.612    23.293  4.1509  19.395  3.5198  3.898209       5.442369 
1 1 1 -27 -1  24 o 32.315  2.2954  146.883   18.868    154.841   31.433    142.400   23.591    32.754  3.6446  31.875  2.7913  0.8789005      4.590711 
1 1 1 -27 -1  25 o 31.417  2.5235  148.014   19.272    124.279   32.101    161.389   24.097    28.856  4.2833  33.978  2.6693  -5.121956      5.046974 
1 1 1 -27 -1  26 o 52.744  2.2293  390.508   30.703    414.507   49.131    375.130   39.328    53.798  3.4274  51.689  2.8516  2.109238       4.458576 
1 1 1 -27 -1  27 o 10.082  2.6935  10.324    11.197    -14.1240  20.809    20.287    13.283    8.3426  3.8746  11.821  3.7426  -3.478522      5.387018 
1 1 1 -27 -1  28 o 13.552  2.9940  28.884    12.473    14.395    22.590    35.238    14.960    11.778  4.7166  15.325  3.6890  -3.546532      5.987939 
1 1 1 -27 -1  29 o 21.732  3.5320  69.590    19.853    0.0000    0.0000    69.590    19.853    ?       ?       21.732  3.5320  ?              ?        
1 1 1 -27 -1  30 o 10.268  2.9747  9.2331    12.816    0.1958    23.009    13.298    15.431    10.051  4.4199  10.486  3.9824  -0.4353342     5.949392 
1 1 1 -27 -1  31 o 13.486  3.1930  19.300    13.380    51.277    25.227    6.7834    15.783    17.574  5.0754  9.3989  3.8755  8.174755       6.385899 
1 1 1 -27 -1  32 o 15.149  3.4576  34.782    14.930    48.763    27.437    28.901    17.795    16.779  5.3859  13.520  4.3372  3.259055       6.915205 
1 1 1 -27 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 0   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 0   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 0   8  o 46.598  1.8438  297.305   22.521    288.565   35.068    303.439   29.379    45.893  2.8672  47.302  2.3188  -1.408863      3.687523 
1 1 1 -27 0   9  o 65.192  1.9747  570.192   34.186    659.248   52.662    505.329   44.944    69.503  2.8288  60.880  2.7562  8.623493       3.949492 
1 1 1 -27 0   10 o 52.430  1.9693  379.845   27.026    351.658   41.652    400.342   35.518    50.575  3.0896  54.285  2.4428  -3.710049      3.938620 
1 1 1 -27 0   11 o 32.544  1.7801  143.762   15.173    151.335   23.789    138.568   19.702    33.215  2.6972  31.873  2.3237  1.341711       3.560157 
1 1 1 -27 0   12 o 30.808  1.7667  125.876   14.218    158.915   22.487    103.871   18.351    34.096  2.4792  27.519  2.5175  6.576614       3.533358 
1 1 1 -27 0   13 o 46.296  4.1864  302.333   51.351    302.333   51.351    0.0000    0.0000    46.296  4.1864  ?       ?       ?              ?        
1 1 1 -27 0   14 o 55.874  1.9021  427.051   28.102    425.828   42.941    427.967   37.166    55.686  2.8889  56.061  2.4751  -0.3756676     3.804154 
1 1 1 -27 0   15 o 46.987  1.9328  309.185   23.518    269.422   36.449    337.546   30.783    44.148  3.1021  49.826  2.3066  -5.677246      3.865649 
1 1 1 -27 0   16 o 16.752  2.4273  42.680    10.053    31.857    16.973    48.527    12.477    14.816  4.1250  18.689  2.5597  -3.873230      4.854693 
1 1 1 -27 0   17 o 40.489  1.9230  223.448   20.299    236.370   32.530    215.207   25.978    41.342  2.9572  39.635  2.4592  1.707870       3.846075 
1 1 1 -27 0   18 o 39.659  2.0328  219.808   20.725    207.950   33.322    227.290   26.467    38.597  3.2535  40.720  2.4379  -2.123066      4.065509 
1 1 1 -27 0   19 f 24.150  2.2687  78.937    13.868    95.772    23.379    69.798    17.225    25.995  3.4423  22.305  2.9560  3.690592       4.537387 
1 1 1 -27 0   20 o 18.712  2.7446  52.389    12.708    46.715    21.699    55.351    15.677    17.654  4.5575  19.769  3.0595  -2.114651      5.489255 
1 1 1 -27 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 0   22 o 15.875  2.7291  38.593    11.030    32.067    19.690    41.578    13.316    14.703  4.5418  17.047  3.0272  -2.344018      5.458200 
1 1 1 -27 0   23 o 32.559  2.2513  147.764   18.727    159.406   31.134    141.163   23.442    33.351  3.5394  31.768  2.7831  1.582888       4.502553 
1 1 1 -27 0   24 o 10.812  2.5259  15.413    10.272    -11.5233  18.838    26.813    12.255    8.1246  3.7426  13.500  3.3931  -5.374936      5.051722 
1 1 1 -27 0   25 o 61.566  2.2456  534.232   36.349    547.674   56.900    524.965   47.246    61.895  3.4458  61.236  2.8805  0.6584778      4.491196 
1 1 1 -27 0   26 o 26.613  2.6472  104.615   17.284    101.059   29.261    106.521   21.420    25.840  4.3844  27.386  2.9676  -1.545492      5.294363 
1 1 1 -27 0   27 o 18.590  2.9894  50.901    13.729    58.417    24.650    47.521    16.530    19.269  4.7953  17.911  3.5709  1.357346       5.978792 
1 1 1 -27 0   28 o 14.242  2.7105  32.875    13.151    -4.0860   22.399    52.321    16.247    9.5775  4.2778  18.907  3.3298  -9.329435      5.420989 
1 1 1 -27 0   29 o 7.1606  3.2532  -6.2213   13.599    0.0000    0.0000    -6.2213   13.599    ?       ?       7.1606  3.2532  ?              ?        
1 1 1 -27 0   30 o 9.7716  2.8602  7.5220    11.927    -6.6869   23.460    12.474    13.850    9.4617  4.2887  10.082  3.7855  -0.6197720     5.720366 
1 1 1 -27 0   31 o 27.905  3.0358  125.723   20.108    103.877   33.987    137.488   24.941    25.005  5.2421  30.805  3.0635  -5.800148      6.071632 
1 1 1 -27 0   32 o 5.9005  2.0338  -18.5861  9.4595    -45.8835  20.228    -10.9455  10.702    6.1601  3.0692  5.6408  2.6695  0.5193563      4.067687 
1 1 1 -27 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   9  o 83.952  2.2705  967.851   50.650    959.071   76.365    974.747   67.678    83.481  3.4152  84.424  2.9929  -0.9427338     4.541071 
1 1 1 -27 1   10 o 28.834  1.8445  115.912   13.646    105.445   21.528    122.942   17.643    27.623  2.9555  30.044  2.2079  -2.420942      3.689095 
1 1 1 -27 1   11 o 48.763  1.8282  322.081   23.615    344.264   36.091    305.473   31.228    50.185  2.6948  47.342  2.4713  2.842701       3.656386 
1 1 1 -27 1   12 o 49.458  1.8847  339.886   24.342    299.187   37.063    370.759   32.281    46.652  2.9817  52.264  2.3060  -5.611492      3.769333 
1 1 1 -27 1   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   14 o 40.203  1.8038  220.542   19.014    224.647   29.753    217.708   24.722    40.445  2.7630  39.960  2.3197  0.4857330      3.607691 
1 1 1 -27 1   15 o 30.062  2.0090  128.548   15.184    110.913   24.507    139.535   19.345    28.161  3.3124  31.963  2.2744  -3.802511      4.018036 
1 1 1 -27 1   16 o 22.075  2.0284  64.890    11.382    81.309    19.043    55.764    14.196    24.139  3.0108  20.011  2.7189  4.127228       4.056764 
1 1 1 -27 1   17 o 38.209  1.9484  200.878   19.275    202.937   31.048    199.588   24.587    38.244  3.0565  38.174  2.4171  0.6977463E-01  3.896725 
1 1 1 -27 1   18 o 19.107  2.3913  49.396    11.381    62.989    19.471    42.342    14.027    20.969  3.5961  17.244  3.1532  3.725235       4.782691 
1 1 1 -27 1   19 o 20.617  2.6394  64.144    13.135    52.746    22.368    70.144    16.228    18.814  4.4994  22.420  2.7607  -3.606558      5.278783 
1 1 1 -27 1   20 o 13.516  2.5210  29.095    10.403    6.1911    17.678    41.230    12.867    9.9872  4.1079  17.045  2.9237  -7.057495      5.042096 
1 1 1 -27 1   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 1   22 o 36.039  2.1690  180.824   20.189    190.393   32.783    174.978   25.625    36.624  3.3801  35.455  2.7191  1.168953       4.338047 
1 1 1 -27 1   23 o 28.619  2.2947  110.713   16.767    142.930   28.196    93.087    20.855    31.637  3.3797  25.600  3.1050  6.036644       4.589469 
1 1 1 -27 1   24 o 8.3291  2.4777  -0.3075   8.8229    10.775    16.177    -4.9994   10.526    10.296  4.0330  6.3622  2.8792  3.933774       4.955329 
1 1 1 -27 1   25 o 30.490  2.3388  128.886   18.244    152.074   30.481    115.941   22.775    32.411  3.5704  28.569  3.0221  3.841406       4.677692 
1 1 1 -27 1   26 o 23.271  2.7106  75.796    15.782    99.225    26.822    63.389    19.519    25.816  4.0089  20.725  3.6493  5.091005       5.421179 
1 1 1 -27 1   27 o 14.874  3.1065  29.961    12.735    48.648    22.686    21.362    15.389    17.586  4.7182  12.162  4.0422  5.424818       6.212965 
1 1 1 -27 1   28 o 29.054  2.7246  127.675   19.427    114.810   32.144    135.078   24.384    27.325  4.5521  30.782  2.9953  -3.457466      5.449151 
1 1 1 -27 1   29 o 38.605  4.9774  234.675   50.269    0.0000    0.0000    234.675   50.269    ?       ?       38.605  4.9774  ?              ?        
1 1 1 -27 1   30 o 15.061  3.3904  36.350    15.097    33.065    26.102    38.001    18.506    14.580  5.2428  15.542  4.3002  -0.9617863     6.780719 
1 1 1 -27 1   31 o 11.119  3.1781  9.9062    13.687    25.462    25.104    3.3266    16.327    13.261  5.0691  8.9772  3.8346  4.283932       6.356145 
1 1 1 -27 1   32 o 42.456  2.5124  262.289   27.287    305.217   46.225    239.331   33.805    44.560  3.9126  40.353  3.1526  4.206734       5.024722 
1 1 1 -27 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   10 o 25.127  1.7446  84.835    11.417    96.646    18.143    77.091    14.690    26.530  2.5861  23.724  2.3424  2.805334       3.489199 
1 1 1 -27 2   11 o 16.660  2.0290  40.506    8.3292    32.975    13.435    45.207    10.615    15.192  3.3881  18.129  2.2333  -2.937346      4.057911 
1 1 1 -27 2   12 o 22.189  1.9769  71.193    10.811    57.019    17.218    80.416    13.889    20.110  3.3119  24.267  2.1595  -4.156361      3.953714 
1 1 1 -27 2   13 o 28.611  2.2650  105.735   14.849    131.076   30.696    97.992    16.967    30.477  3.8458  26.744  2.3939  3.733286       4.530009 
1 1 1 -27 2   14 o 13.732  2.3114  29.059    8.4819    16.988    13.920    36.186    10.697    11.361  3.8450  16.102  2.5664  -4.740811      4.622772 
1 1 1 -27 2   15 o 35.706  1.9247  177.010   17.707    168.274   28.318    182.617   22.689    34.846  3.0652  36.566  2.3287  -1.719936      3.849452 
1 1 1 -27 2   16 f 9.1717  2.3830  9.4072    7.3747    10.045    12.720    9.0845    9.0510    9.6586  3.6276  8.6849  3.0911  0.9737234      4.765924 
1 1 1 -27 2   17 o 32.721  2.0033  147.348   16.880    151.683   27.464    144.717   21.399    32.985  3.1467  32.456  2.4803  0.5293121      4.006697 
1 1 1 -27 2   18 o 14.795  2.6475  29.168    10.266    43.792    17.506    21.504    12.673    17.322  3.8708  12.268  3.6130  5.053864       5.294976 
1 1 1 -27 2   19 o 25.497  2.4040  95.570    15.007    80.129    24.484    104.861   18.993    23.476  4.0393  27.518  2.6080  -4.041796      4.808087 
1 1 1 -27 2   20 o 29.500  2.2473  122.294   16.939    123.374   27.464    121.631   21.520    29.428  3.5565  29.572  2.7483  -0.1445198     4.494648 
1 1 1 -27 2   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   22 o 33.700  2.2281  160.834   19.275    158.431   31.017    162.346   24.601    33.270  3.5348  34.130  2.7136  -0.8600693     4.456285 
1 1 1 -27 2   23 o 17.404  2.8210  51.088    13.095    24.476    22.325    65.045    16.168    13.391  4.8441  21.418  2.8924  -8.027207      5.641908 
1 1 1 -27 2   24 o 17.965  2.9057  44.164    13.257    67.974    23.118    32.498    16.183    21.238  4.2129  14.693  4.0031  6.545082       5.811470 
1 1 1 -27 2   25 o 18.864  2.8256  47.557    13.500    80.999    23.566    31.221    16.470    23.359  3.9042  14.369  4.0858  8.990449       5.651201 
1 1 1 -27 2   26 o 9.8252  2.8083  8.5766    11.118    2.7432    19.825    11.253    13.429    9.8013  4.2071  9.8490  3.7212  -0.4772186E-01 5.616631 
1 1 1 -27 2   27 o 20.781  3.0059  63.864    15.394    72.926    26.922    59.461    18.764    21.534  4.7912  20.029  3.6314  1.504471       6.011876 
1 1 1 -27 2   28 o 42.882  2.3682  262.809   26.264    276.767   42.616    254.260   33.351    43.463  3.6958  42.301  2.9622  1.161808       4.736399 
1 1 1 -27 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 2   30 o 12.346  3.1011  22.557    13.756    1.9491    25.702    30.830    16.284    10.616  4.6700  14.076  4.0814  -3.459111      6.202164 
1 1 1 -27 2   31 o 12.516  3.2036  23.748    14.134    9.9379    25.922    29.592    16.861    11.349  4.8394  13.683  4.1991  -2.333580      6.407200 
1 1 1 -27 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   10 o 2.4938  0.8649  -2.0242   1.2571    -7.9013   3.8722    -1.3318   1.3291    2.9228  1.4352  2.0648  0.9657  0.8580296      1.729809 
1 1 1 -27 3   11 o 39.592  1.7353  213.518   18.098    216.480   27.859    211.356   23.806    39.776  2.6297  39.408  2.2649  0.3672447      3.470596 
1 1 1 -27 3   12 o 31.239  1.7612  132.918   14.356    137.322   22.656    129.964   18.556    31.612  2.7017  30.866  2.2602  0.7452641      3.522452 
1 1 1 -27 3   13 o 17.529  2.1379  43.441    9.3691    42.517    15.264    44.000    11.868    17.264  3.4218  17.794  2.5640  -0.5300579     4.275831 
1 1 1 -27 3   14 f 38.751  1.8860  209.115   18.916    191.427   29.661    221.241   24.559    37.219  3.0008  40.283  2.2855  -3.063480      3.772042 
1 1 1 -27 3   15 o 20.469  2.1519  58.767    10.968    58.880    18.245    58.703    13.725    20.347  3.4725  20.590  2.5425  -0.2433529     4.303773 
1 1 1 -27 3   16 o 8.7041  2.0862  3.0374    6.3767    20.964    11.475    -4.9717   7.6700    12.112  3.3986  5.2958  2.4203  6.816604       4.172344 
1 1 1 -27 3   17 o 21.701  2.3187  66.718    12.587    66.286    20.636    66.973    15.885    21.482  3.7213  21.920  2.7671  -0.4382477     4.637361 
1 1 1 -27 3   18 o 29.443  2.0881  115.810   15.885    148.547   25.885    96.033    20.119    32.654  2.9928  26.231  2.9126  6.422972       4.176133 
1 1 1 -27 3   19 o 32.967  2.1106  148.386   18.087    168.615   29.143    135.713   23.067    34.682  3.1723  31.252  2.7849  3.429726       4.221279 
1 1 1 -27 3   20 o 20.747  2.5115  57.837    13.048    86.753    21.707    41.478    16.326    24.675  3.3727  16.820  3.7223  7.854555       5.023037 
1 1 1 -27 3   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   22 o 13.943  2.5033  31.384    11.452    -1.9092   19.218    49.716    14.261    9.2131  4.0458  18.673  2.9491  -9.460356      5.006563 
1 1 1 -27 3   23 o 35.347  2.2199  174.984   20.337    187.792   32.758    166.952   25.941    36.213  3.4177  34.481  2.8338  1.731926       4.439746 
1 1 1 -27 3   24 o 19.421  2.9318  55.323    14.258    63.514    24.208    50.973    17.643    20.294  4.5641  18.548  3.6812  1.746613       5.863663 
1 1 1 -27 3   25 o 9.6678  2.5787  8.4924    10.548    -14.9190  18.685    19.441    12.778    7.7478  3.6226  11.588  3.6710  -3.840173      5.157473 
1 1 1 -27 3   26 o 16.037  3.0829  40.935    13.463    33.270    22.947    44.958    16.625    14.740  4.9369  17.334  3.6938  -2.594309      6.165803 
1 1 1 -27 3   27 o 32.941  2.4674  156.610   20.651    162.422   34.141    153.256   25.933    33.079  3.9302  32.802  2.9842  0.2772827      4.934762 
1 1 1 -27 3   28 o 15.645  3.2687  37.852    14.142    40.827    24.261    36.321    17.405    15.959  5.0585  15.331  4.1410  0.6280775      6.537327 
1 1 1 -27 3   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 3   30 o 13.186  3.3450  22.246    14.136    40.059    25.912    14.699    16.866    15.539  5.2460  10.833  4.1516  4.705856       6.689999 
1 1 1 -27 3   31 f 31.656  2.8060  151.328   22.194    166.395   37.863    143.441   27.393    32.253  4.5058  31.058  3.3457  1.194971       5.612081 
1 1 1 -27 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   10 o 28.399  1.7195  110.686   12.718    108.699   19.829    112.075   16.576    28.120  2.6645  28.679  2.1741  -0.5590820     3.438961 
1 1 1 -27 4   11 o 17.687  1.9743  45.409    8.5843    37.338    13.823    50.476    10.952    16.195  3.2987  19.179  2.1702  -2.984274      3.948591 
1 1 1 -27 4   12 o 23.847  1.8836  76.636    11.566    87.419    18.840    70.115    14.651    25.125  2.8500  22.570  2.4636  2.555153       3.767222 
1 1 1 -27 4   13 o 50.431  1.8629  347.862   24.726    347.283   38.368    348.273   32.337    50.271  2.8613  50.591  2.3863  -0.3206596     3.725833 
1 1 1 -27 4   14 o 35.338  1.9039  171.848   17.426    171.260   27.881    172.225   22.323    35.182  2.9869  35.495  2.3615  -0.3122253     3.807704 
1 1 1 -27 4   15 o 22.722  2.1583  70.104    12.501    82.417    20.542    62.862    15.753    24.218  3.2487  21.225  2.8423  2.992132       4.316541 
1 1 1 -27 4   16 o 43.363  1.9409  253.954   22.147    291.875   34.840    228.241   28.690    45.992  2.8422  40.734  2.6439  5.257969       3.881745 
1 1 1 -27 4   17 o 74.645  2.1948  767.787   43.639    807.167   65.855    736.957   58.269    76.246  3.2247  73.045  2.9782  3.200905       4.389567 
1 1 1 -27 4   18 o 46.002  2.0826  296.639   24.951    278.327   38.842    309.503   32.556    44.586  3.2754  47.418  2.5729  -2.832039      4.165107 
1 1 1 -27 4   19 o 40.919  2.0516  227.133   22.015    268.708   34.961    199.815   28.340    43.911  2.9904  37.928  2.8096  5.982475       4.103201 
1 1 1 -27 4   20 o 23.687  2.4855  82.973    14.438    71.857    23.629    89.594    18.238    22.052  4.1528  25.321  2.7324  -3.268414      4.971068 
1 1 1 -27 4   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 4   22 o 44.068  2.1972  275.535   25.148    266.812   39.650    281.405   32.527    43.214  3.4545  44.921  2.7162  -1.706886      4.394410 
1 1 1 -27 4   23 o 8.9607  2.5545  1.8498    8.9952    16.614    16.759    -4.1248   10.661    11.400  4.1858  6.5212  2.9292  4.878835       5.108943 
1 1 1 -27 4   24 o 11.301  2.9022  14.025    11.034    26.137    19.055    7.9151    13.533    13.353  4.4986  9.2486  3.6679  4.103951       5.804369 
1 1 1 -27 4   25 o 36.771  2.3435  194.468   21.993    193.835   36.020    194.845   27.770    36.373  3.7511  37.168  2.8102  -0.7949982     4.687011 
1 1 1 -27 4   26 o 7.8360  2.3930  -3.1070   10.197    -28.2458  18.383    8.0651    12.255    6.6930  3.2513  8.9790  3.5121  -2.285996      4.786021 
1 1 1 -27 4   27 o 7.5782  2.4479  -6.5660   10.381    -7.5648   18.305    -6.0925   12.604    8.2835  3.7676  6.8729  3.1262  1.410548       4.895714 
1 1 1 -27 4   28 o 11.734  3.1599  14.821    12.674    27.485    23.889    9.8600    14.952    13.680  5.0013  9.7877  3.8636  3.892232       6.319891 
1 1 1 -27 4   29 o 34.718  2.9267  183.846   26.621    187.238   39.030    180.896   36.404    34.891  4.2651  34.544  4.0090  0.3472137      5.853466 
1 1 1 -27 4   30 f 29.246  2.7729  126.733   20.215    145.559   34.832    117.172   24.824    30.382  4.4091  28.110  3.3638  2.271374       5.545721 
1 1 1 -27 4   31 o 11.118  3.0614  16.132    13.606    -0.8707   25.265    23.078    16.148    10.042  4.5102  12.193  4.1411  -2.150575      6.122899 
1 1 1 -27 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   10 o 16.974  1.9450  42.347    8.0533    32.891    12.988    48.254    10.265    15.182  3.2891  18.766  2.0770  -3.583965      3.889984 
1 1 1 -27 5   11 o 45.520  1.7910  282.351   21.454    287.772   33.307    278.507   28.047    45.822  2.7261  45.218  2.3236  0.6042328      3.581974 
1 1 1 -27 5   12 o 18.780  2.2790  54.245    10.201    36.583    16.837    64.488    12.822    15.879  3.9695  21.681  2.2403  -5.801933      4.558073 
1 1 1 -27 5   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   14 o 21.524  2.1012  63.051    11.493    72.702    18.935    57.421    14.462    22.743  3.1966  20.306  2.7280  2.437117       4.202380 
1 1 1 -27 5   15 o 56.996  2.0222  446.214   30.502    454.737   46.682    439.865   40.293    57.332  3.0509  56.661  2.6550  0.6703606      4.044374 
1 1 1 -27 5   16 o 38.325  1.9817  202.534   19.854    205.894   31.150    200.236   25.766    38.485  3.0468  38.165  2.5349  0.3202515      3.963407 
1 1 1 -27 5   17 o 29.706  2.1180  123.965   16.110    119.759   25.806    126.651   20.623    29.128  3.3699  30.284  2.5666  -1.156246      4.235957 
1 1 1 -27 5   18 o 23.915  2.4047  84.328    14.140    70.387    22.761    93.091    18.044    21.945  4.0204  25.885  2.6395  -3.940159      4.809381 
1 1 1 -27 5   19 o 18.667  2.6788  53.297    12.475    42.401    20.516    59.688    15.713    16.783  4.4801  20.551  2.9381  -3.767513      5.357605 
1 1 1 -27 5   20 o 53.719  2.1644  405.986   30.531    393.980   47.004    414.748   40.154    52.801  3.3408  54.637  2.7527  -1.835670      4.328733 
1 1 1 -27 5   21 o 39.881  2.4787  227.013   26.167    218.509   35.789    236.781   38.355    39.114  3.4515  40.648  3.5586  -1.534203      4.957493 
1 1 1 -27 5   22 o 21.079  2.6518  65.403    13.914    65.672    22.990    65.247    17.479    20.846  4.2613  21.313  3.1574  -0.4676552     5.303560 
1 1 1 -27 5   23 o 16.294  3.0077  40.621    12.878    39.804    21.897    41.053    15.923    15.996  4.7589  16.592  3.6793  -0.5962048     6.015375 
1 1 1 -27 5   24 o 32.828  2.3776  154.324   19.935    159.847   32.669    151.048   25.164    33.006  3.7626  32.650  2.9078  0.3564339      4.755249 
1 1 1 -27 5   25 o 26.601  2.6700  105.221   17.501    102.394   29.404    106.772   21.779    25.881  4.3991  27.320  3.0272  -1.438864      5.340035 
1 1 1 -27 5   26 o 9.3129  2.7561  5.2102    11.366    -2.7592   19.900    9.0687    13.847    9.1494  4.0628  9.4765  3.7253  -0.3270845     5.512188 
1 1 1 -27 5   27 o 13.867  3.1931  25.110    12.678    43.337    23.909    17.981    14.953    16.389  4.9949  11.346  3.9793  5.042415       6.386218 
1 1 1 -27 5   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 5   29 o 30.690  2.7148  135.031   20.889    170.067   36.457    117.906   25.488    33.188  4.1948  28.192  3.4472  4.996586       5.429532 
1 1 1 -27 5   30 o 9.0015  2.8448  -3.5783   12.300    9.2390    24.099    -8.0929   14.303    10.949  4.6675  7.0536  3.2535  3.895786       5.689503 
1 1 1 -27 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   10 o 50.492  1.8695  353.745   24.664    318.181   37.829    380.039   32.528    48.092  2.9510  52.892  2.2960  -4.800339      3.738968 
1 1 1 -27 6   11 o 4.4875  1.4929  -6.5818   3.8674    -2.4030   7.6363    -8.0234   4.4852    5.7017  2.5250  3.2732  1.5937  2.428443       2.985889 
1 1 1 -27 6   12 o 24.409  1.9271  79.102    12.085    98.747    19.938    67.692    15.195    26.702  2.8308  22.116  2.6156  4.585869       3.854231 
1 1 1 -27 6   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   14 o 32.187  1.9547  142.520   16.356    146.337   25.935    139.999   21.075    32.451  3.0184  31.922  2.4844  0.5285168      3.909320 
1 1 1 -27 6   15 o 14.163  2.4440  26.324    9.1006    41.858    15.348    17.902    11.302    17.046  3.4794  11.280  3.4333  5.765385       4.888084 
1 1 1 -27 6   16 o 8.5496  2.3402  7.0659    7.3506    5.4073    12.854    7.8720    8.9604    8.7678  3.5413  8.3315  3.0605  0.4363108      4.680494 
1 1 1 -27 6   17 o 41.369  1.9922  233.160   21.687    264.814   33.977    211.396   28.173    43.653  2.9228  39.085  2.7078  4.567131       3.984327 
1 1 1 -27 6   18 o 21.621  2.6122  72.971    13.612    49.307    21.825    88.036    17.414    18.090  4.5178  25.152  2.6235  -7.062565      5.224318 
1 1 1 -27 6   19 o 26.768  2.2678  100.799   15.533    105.512   25.067    97.861    19.790    27.120  3.5349  26.416  2.8417  0.7045593      4.535501 
1 1 1 -27 6   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 6   21 o 28.060  2.3319  111.677   16.742    117.746   27.116    107.939   21.283    28.484  3.6371  27.637  2.9194  0.8477211      4.663837 
1 1 1 -27 6   22 o 10.745  2.3699  12.509    10.608    -25.8769  18.430    31.526    12.972    6.8801  3.3209  14.609  3.3820  -7.728885      4.739858 
1 1 1 -27 6   23 o 12.748  2.9879  22.719    11.264    27.294    20.113    20.628    13.596    13.594  4.6216  11.902  3.7884  1.692467       5.975862 
1 1 1 -27 6   24 o 37.027  2.3122  193.590   22.064    212.548   36.249    182.431   27.809    38.195  3.5852  35.858  2.9208  2.337543       4.624370 
1 1 1 -27 6   25 o 26.058  2.6297  98.103    17.134    109.446   29.013    92.029    21.231    26.900  4.1610  25.216  3.2167  1.684204       5.259353 
1 1 1 -27 6   26 o 18.241  3.1659  48.478    14.630    66.046    25.924    40.268    17.722    20.327  4.8324  16.155  4.0913  4.172276       6.331733 
1 1 1 -27 6   27 o 21.486  3.0873  67.223    16.274    88.235    29.119    57.679    19.625    23.521  4.7849  19.450  3.9028  4.071217       6.174676 
1 1 1 -27 6   28 o 18.220  5.5536  57.356    29.557    57.356    29.557    0.0000    0.0000    18.220  5.5536  ?       ?       ?              ?        
1 1 1 -27 6   29 o 15.856  3.4187  38.007    14.777    54.786    27.357    31.095    17.558    17.752  5.3279  13.959  4.2852  3.793525       6.837342 
1 1 1 -27 6   30 o 10.199  3.0034  10.051    12.807    4.9800    24.453    11.968    15.033    10.449  4.5768  9.9496  3.8904  0.4997215      6.006867 
1 1 1 -27 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 7   10 o 9.7555  2.1443  13.476    6.2987    7.5687    10.919    16.423    7.7109    8.7553  3.3440  10.756  2.6849  -2.000314      4.288523 
1 1 1 -27 7   11 o 20.867  2.0603  57.750    10.896    75.869    18.127    47.500    13.634    23.325  2.9688  18.410  2.8575  4.915329       4.120553 
1 1 1 -27 7   12 o 63.226  2.0401  546.673   34.289    569.679   52.205    529.217   45.473    64.308  3.0308  62.144  2.7319  2.163574       4.080298 
1 1 1 -27 7   13 o 44.020  1.9313  264.430   22.398    282.014   34.818    252.016   29.255    45.189  2.8918  42.850  2.5607  2.339130       3.862568 
1 1 1 -27 7   14 o 8.4711  2.3238  6.0557    7.1249    9.5990    12.616    4.3964    8.6335    9.5245  3.6048  7.4178  2.9335  2.106755       4.647583 
1 1 1 -27 7   15 f 10.805  2.4031  16.558    8.4439    3.8469    14.300    23.363    10.463    8.8702  3.6759  12.740  3.0964  -3.869864      4.806256 
1 1 1 -27 7   16 o 37.500  1.9650  189.585   19.317    234.456   30.389    159.159   25.024    41.140  2.7740  33.859  2.7839  7.280857       3.930018 
1 1 1 -27 7   17 o 25.506  2.1959  89.449    14.404    103.732   23.323    80.642    18.313    27.054  3.2860  23.959  2.9137  3.095203       4.391772 
1 1 1 -27 7   18 o 9.5120  2.3169  10.013    8.5533    -8.8296   14.413    20.257    10.627    7.1976  3.3000  11.826  3.2531  -4.628754      4.633844 
1 1 1 -27 7   19 o 12.371  2.6424  17.743    9.7290    37.210    16.820    7.9547    11.927    15.776  3.9805  8.9650  3.4763  6.811274       5.284830 
1 1 1 -27 7   20 o 26.321  4.9720  107.094   33.768    107.094   33.768    0.0000    0.0000    26.321  4.9720  ?       ?       ?              ?        
1 1 1 -27 7   21 o 32.374  2.3716  153.299   19.364    138.830   31.200    162.364   24.695    30.737  3.8759  34.011  2.7340  -3.273682      4.743120 
1 1 1 -27 7   22 o 34.934  2.2953  173.232   20.655    182.616   33.560    167.510   26.206    35.444  3.5842  34.424  2.8683  1.020718       4.590628 
1 1 1 -27 7   23 o 11.674  2.7475  19.440    11.466    -2.6551   20.242    29.878    13.913    9.2520  4.1035  14.095  3.6548  -4.843082      5.495063 
1 1 1 -27 7   24 o 22.110  2.8074  72.070    15.154    78.885    26.546    68.775    18.457    22.498  4.5613  21.721  3.2742  0.7774010      5.614759 
1 1 1 -27 7   25 o 18.267  3.0886  54.621    14.313    43.506    25.827    59.548    17.196    16.380  5.2221  20.154  3.2997  -3.773371      6.177283 
1 1 1 -27 7   26 o 15.221  3.2302  37.184    13.976    31.932    24.515    39.713    17.012    14.392  5.0909  16.049  3.9774  -1.656969      6.460458 
1 1 1 -27 7   27 o 32.738  3.0483  154.808   26.423    0.0000    0.0000    154.808   26.423    ?       ?       32.738  3.0483  ?              ?        
1 1 1 -27 7   28 o 27.492  2.9154  113.317   19.558    128.955   34.664    106.015   23.688    28.266  4.7468  26.718  3.3861  1.548653       5.830735 
1 1 1 -27 7   29 o 23.515  3.1581  85.496    18.068    102.775   32.335    77.653    21.786    24.607  5.0746  22.423  3.7606  2.184341       6.316101 
1 1 1 -27 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   9  o 17.397  2.7186  43.377    12.119    45.852    19.317    41.771    15.563    17.730  4.1423  17.063  3.5220  0.6665802      5.437200 
1 1 1 -27 8   10 o 52.327  1.9435  371.899   26.891    406.244   41.562    347.169   35.267    54.330  2.8662  50.324  2.6255  4.005997       3.886955 
1 1 1 -27 8   11 o 46.676  2.0193  304.252   24.541    279.170   38.025    322.158   32.128    44.837  3.1870  48.515  2.4807  -3.677414      4.038661 
1 1 1 -27 8   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 8   13 o 23.650  2.1053  78.333    12.658    78.194    20.390    78.420    16.147    23.505  3.3319  23.794  2.5746  -0.2887764     4.210670 
1 1 1 -27 8   14 o 24.498  2.1056  82.944    13.189    89.238    21.449    79.118    16.724    25.137  3.2627  23.858  2.6625  1.279516       4.211193 
1 1 1 -27 8   15 o 56.761  2.0878  447.071   31.282    445.931   48.006    447.911   41.240    56.504  3.1849  57.017  2.7004  -0.5125046     4.175604 
1 1 1 -27 8   16 o 29.021  2.1113  116.826   15.807    124.154   25.462    112.230   20.163    29.636  3.2616  28.406  2.6818  1.229622       4.222595 
1 1 1 -27 8   17 o 12.123  2.6393  19.982    8.9966    25.430    15.660    17.298    10.991    13.210  4.0455  11.036  3.3908  2.173784       5.278608 
1 1 1 -27 8   18 o 18.564  2.6048  49.142    12.121    56.728    20.243    44.902    15.134    19.537  4.0031  17.590  3.3341  1.946373       5.209663 
1 1 1 -27 8   19 o 15.493  5.0575  36.564    24.130    0.0000    0.0000    36.564    24.130    ?       ?       15.493  5.0575  ?              ?        
1 1 1 -27 8   20 o 28.848  2.3495  119.041   17.147    121.808   28.332    117.441   21.540    28.846  3.7559  28.850  2.8237  -0.3582001E-02 4.698963 
1 1 1 -27 8   21 o 68.789  2.3360  673.922   42.431    690.020   65.504    662.285   55.694    69.133  3.5494  68.445  3.0379  0.6880112      4.671985 
1 1 1 -27 8   22 o 15.925  3.0401  37.391    12.639    45.650    22.244    33.454    15.359    16.994  4.7189  14.855  3.8343  2.139918       6.080266 
1 1 1 -27 8   23 o 19.754  2.9476  57.709    14.384    66.931    25.212    53.259    17.514    20.598  4.6765  18.909  3.5894  1.689735       5.895194 
1 1 1 -27 8   24 o 9.4385  2.7896  3.7035    10.745    13.135    20.312    0.0388    12.662    11.184  4.4747  7.6926  3.3323  3.491712       5.579163 
1 1 1 -27 8   25 o 26.166  2.8737  103.896   18.265    103.252   31.513    104.223   22.414    25.526  4.7849  26.805  3.1842  -1.278028      5.747500 
1 1 1 -27 8   26 o 34.520  2.5796  174.984   22.481    184.067   37.761    169.997   27.979    34.732  4.1407  34.307  3.0775  0.4243698      5.159147 
1 1 1 -27 8   27 o 28.921  4.7718  134.697   35.675    134.697   35.675    0.0000    0.0000    28.921  4.7718  ?       ?       ?              ?        
1 1 1 -27 8   28 o 21.144  3.3139  77.601    17.505    62.348    30.656    84.980    21.323    18.540  5.6571  23.748  3.4535  -5.207727      6.627877 
1 1 1 -27 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 9   9  f 40.874  1.8734  228.607   20.209    236.660   30.963    222.631   26.675    41.438  2.8062  40.311  2.4826  1.127617       3.746781 
1 1 1 -27 9   10 o 25.600  2.1149  94.154    13.556    80.135    21.521    103.376   17.455    23.774  3.4829  27.427  2.4002  -3.652920      4.229829 
1 1 1 -27 9   11 o 9.5880  2.3278  11.956    7.0675    9.2061    12.287    13.316    8.6399    9.3779  3.5555  9.7981  3.0056  -0.4201775     4.655672 
1 1 1 -27 9   12 o 23.470  2.1719  77.464    12.855    77.135    20.992    77.662    16.261    23.280  3.4728  23.661  2.6092  -0.3813286     4.343725 
1 1 1 -27 9   13 o 20.311  2.2925  58.838    11.554    57.960    19.184    59.338    14.474    20.010  3.7161  20.611  2.6855  -0.6005478     4.584914 
1 1 1 -27 9   14 o 17.456  2.4408  43.536    10.565    45.687    17.966    42.399    13.063    17.629  3.9075  17.284  2.9262  0.3447895      4.881699 
1 1 1 -27 9   15 f 22.553  2.2555  70.530    12.843    79.406    21.361    65.505    16.073    23.528  3.4959  21.577  2.8508  1.950857       4.510914 
1 1 1 -27 9   16 o 13.714  2.6124  25.693    9.4873    35.784    16.294    20.518    11.669    15.520  3.9189  11.909  3.4556  3.611175       5.224792 
1 1 1 -27 9   17 o 11.981  2.7815  18.665    9.7864    26.351    17.400    15.108    11.836    13.430  4.2868  10.533  3.5455  2.896372       5.563054 
1 1 1 -27 9   18 o 27.913  2.3408  111.870   16.452    110.484   27.097    112.680   20.706    27.505  3.7779  28.320  2.7649  -0.8153381     4.681569 
1 1 1 -27 9   19 o 45.298  3.4508  294.759   41.553    294.759   41.553    0.0000    0.0000    45.298  3.4508  ?       ?       ?              ?        
1 1 1 -27 9   20 o 49.585  2.1744  340.854   28.291    398.262   45.111    303.640   36.321    52.834  3.2029  46.336  2.9418  6.497818       4.348839 
1 1 1 -27 9   21 o 13.926  3.0214  26.942    11.719    39.027    20.945    21.434    14.140    15.770  4.6449  12.082  3.8652  3.688686       6.042806 
1 1 1 -27 9   22 o 13.993  2.8143  32.332    12.184    10.030    21.403    43.025    14.820    10.939  4.5120  17.048  3.3649  -6.109343      5.628595 
1 1 1 -27 9   23 o 31.391  2.5124  145.078   19.678    142.844   33.020    146.308   24.506    30.743  4.1131  32.039  2.8865  -1.296017      5.024899 
1 1 1 -27 9   24 o 39.855  2.4020  228.784   24.451    241.208   40.691    221.763   30.589    40.281  3.8170  39.430  2.9171  0.8511581      4.804078 
1 1 1 -27 9   25 o 11.512  2.8383  18.741    12.294    -8.7576   23.430    29.189    14.442    9.2346  4.2242  13.789  3.7920  -4.554222      5.676547 
1 1 1 -27 9   26 o 24.614  5.9136  107.094   38.501    0.0000    0.0000    107.094   38.501    ?       ?       24.614  5.9136  ?              ?        
1 1 1 -27 9   27 o 12.934  3.3016  23.890    13.398    31.795    25.883    20.996    15.659    14.054  5.1949  11.815  4.0762  2.239323       6.603250 
1 1 1 -27 9   28 o 27.866  3.0643  125.592   20.585    122.509   35.509    127.153   25.263    26.631  5.1645  29.100  3.2994  -2.469536      6.128516 
1 1 1 -27 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 10  8  o 22.937  2.0103  76.285    11.460    60.135    17.794    87.730    14.980    20.580  3.3427  25.294  2.2340  -4.713316      4.020536 
1 1 1 -27 10  9  o 9.1311  2.2448  10.632    6.6435    7.7927    11.251    12.151    8.2317    8.8544  3.3915  9.4078  2.9417  -0.5533934     4.489528 
1 1 1 -27 10  10 o 47.622  2.0357  313.333   25.521    315.966   39.335    311.418   33.539    47.677  3.0970  47.568  2.6428  0.1098061      4.071327 
1 1 1 -27 10  11 f 57.318  3.2551  458.584   49.767    458.584   49.767    0.0000    0.0000    57.318  3.2551  ?       ?       ?              ?        
1 1 1 -27 10  12 o 13.365  2.5623  26.765    9.2200    21.296    16.100    29.434    11.247    12.409  4.1351  14.320  3.0268  -1.911380      5.124513 
1 1 1 -27 10  13 o 12.504  2.6221  22.029    8.9745    23.703    15.921    21.249    10.865    12.885  4.0993  12.123  3.2707  0.7618446      5.244200 
1 1 1 -27 10  14 o 32.883  2.0525  146.239   17.519    176.169   28.552    128.167   22.186    35.445  3.0367  30.320  2.7622  5.125357       4.105009 
1 1 1 -27 10  15 o 17.409  2.4988  40.461    10.902    61.181    18.808    29.977    13.379    20.535  3.5479  14.284  3.5196  6.250659       4.997534 
1 1 1 -27 10  16 o 20.125  2.5169  57.312    12.552    65.285    21.457    53.163    15.477    20.995  3.9609  19.256  3.1065  1.738398       5.033765 
1 1 1 -27 10  17 o 38.164  2.2184  208.518   21.663    197.816   34.959    215.188   27.600    37.050  3.5668  39.277  2.6388  -2.227119      4.436858 
1 1 1 -27 10  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 10  19 o 32.566  2.2409  144.710   18.737    183.808   31.469    123.236   23.322    35.728  3.3266  29.403  3.0034  6.325277       4.481864 
1 1 1 -27 10  20 o 15.622  2.9525  38.913    12.446    31.024    21.471    42.905    15.274    14.253  4.7754  16.991  3.4734  -2.737739      5.905058 
1 1 1 -27 10  21 o 14.492  2.8880  34.819    12.445    15.745    21.891    43.926    15.127    11.779  4.6670  17.204  3.4032  -5.425033      5.776058 
1 1 1 -27 10  22 o 37.302  2.3248  196.128   22.193    222.938   37.354    181.501   27.591    38.931  3.6239  35.674  2.9129  3.257088       4.649509 
1 1 1 -27 10  23 o 20.684  2.9559  60.666    15.074    85.787    26.858    49.114    18.213    23.454  4.4380  17.915  3.9057  5.538391       5.911891 
1 1 1 -27 10  24 o 24.880  2.9690  95.740    17.767    94.060    31.114    96.553    21.643    24.048  4.9938  25.711  3.2129  -1.663424      5.938054 
1 1 1 -27 10  25 o 5.6280  1.9919  -22.0571  8.4739    -28.5175  19.493    -20.5516  9.4096    6.8836  3.3448  4.3725  2.1639  2.511028       3.983758 
1 1 1 -27 10  26 o 10.144  4.4327  3.4400    22.822    3.4400    22.822    0.0000    0.0000    10.144  4.4327  ?       ?       ?              ?        
1 1 1 -27 10  27 o 22.607  3.2114  79.066    17.611    100.343   32.086    69.892    21.069    24.117  5.1252  21.097  3.8711  3.019611       6.422855 
1 1 1 -27 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  7  o 15.172  2.0547  31.554    7.9349    40.383    12.644    25.818    10.192    16.902  2.8971  13.443  2.9146  3.459679       4.109501 
1 1 1 -27 11  8  o 14.087  2.3542  27.457    8.5606    34.826    14.034    23.091    10.803    15.512  3.4651  12.661  3.1877  2.850738       4.708336 
1 1 1 -27 11  9  o 37.158  2.0128  192.579   19.508    185.238   30.254    197.803   25.523    36.412  3.1326  37.905  2.5284  -1.492836      4.025624 
1 1 1 -27 11  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  11 o 30.638  2.1567  132.623   16.850    127.178   27.207    136.011   21.461    29.927  3.4577  31.349  2.5787  -1.422016      4.313394 
1 1 1 -27 11  12 o 26.475  2.1890  96.663    14.796    108.169   24.460    90.023    18.582    27.577  3.3825  25.374  2.7795  2.202942       4.378006 
1 1 1 -27 11  13 o 16.750  2.6583  41.661    11.130    39.728    19.287    42.627    13.628    16.249  4.3467  17.251  3.0614  -1.002285      5.316576 
1 1 1 -27 11  14 o 8.3434  2.3915  5.1577    7.6250    4.7006    14.635    5.3280    8.9334    9.0154  3.7260  7.6713  2.9992  1.344127       4.783087 
1 1 1 -27 11  15 o 16.432  2.7278  40.706    11.332    38.124    19.657    41.991    13.868    15.821  4.4513  17.042  3.1543  -1.220330      5.455604 
1 1 1 -27 11  16 o 45.914  2.1767  294.341   26.028    316.684   41.942    280.348   33.193    47.098  3.3466  44.731  2.7842  2.366459       4.353347 
1 1 1 -27 11  17 o 28.968  4.7780  129.490   35.780    0.0000    0.0000    129.490   35.780    ?       ?       28.968  4.7780  ?              ?        
1 1 1 -27 11  18 o 33.700  2.2806  160.734   19.627    172.744   32.649    153.938   24.560    34.403  3.5962  32.996  2.8055  1.407265       4.561125 
1 1 1 -27 11  19 o 17.205  2.8662  41.770    12.374    58.461    22.044    34.090    14.952    19.410  4.3480  15.001  3.7355  4.408228       5.732335 
1 1 1 -27 11  20 o 12.468  2.9574  22.850    11.162    20.716    20.498    23.750    13.309    12.365  4.6126  12.571  3.7026  -0.2054987     5.914865 
1 1 1 -27 11  21 o 14.448  3.1109  32.611    12.617    30.194    23.055    33.644    15.074    14.057  4.9406  14.838  3.7817  -0.7814693     6.221758 
1 1 1 -27 11  22 o 13.666  3.1375  28.130    12.456    29.780    22.783    27.426    14.875    13.948  4.9106  13.384  3.9066  0.5638208      6.274990 
1 1 1 -27 11  23 o 8.7811  2.7200  0.9682    11.113    -0.2347   21.278    1.4194    13.032    9.6046  4.2360  7.9576  3.4132  1.647004       5.440060 
1 1 1 -27 11  24 o 12.421  3.1574  23.092    13.244    14.383    24.559    26.663    15.726    11.735  4.8361  13.107  4.0607  -1.371985      6.314857 
1 1 1 -27 11  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  26 o 10.320  3.0093  10.991    12.926    6.6595    23.442    12.883    15.495    10.470  4.5348  10.169  3.9571  0.3011389      6.018513 
1 1 1 -27 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 12  6  o 21.648  1.9460  65.208    10.763    66.616    17.217    64.304    13.789    21.746  3.0390  21.550  2.4314  0.1958580      3.891908 
1 1 1 -27 12  7  o 30.987  1.8845  132.374   15.285    136.606   23.739    129.377   19.977    31.335  2.8599  30.639  2.4549  0.6951733      3.769032 
1 1 1 -27 12  8  o 27.440  2.1584  109.460   14.793    89.447    23.283    123.010   19.157    25.006  3.5782  29.874  2.4148  -4.867857      4.316749 
1 1 1 -27 12  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 12  10 o 29.038  2.1157  113.441   15.849    143.628   25.979    95.546    20.002    31.980  3.0707  26.097  2.9112  5.882738       4.231311 
1 1 1 -27 12  11 o 43.928  2.1347  267.586   24.460    282.819   39.068    257.764   31.370    44.781  3.2800  43.076  2.7330  1.704983       4.269371 
1 1 1 -27 12  12 o 9.6174  2.4822  6.8385    7.8789    21.385    15.193    1.4874    9.2148    12.277  4.0134  6.9578  2.9221  5.319179       4.964477 
1 1 1 -27 12  13 o 40.256  2.1561  223.352   22.491    250.249   36.874    207.418   28.381    41.981  3.3061  38.532  2.7684  3.449379       4.312108 
1 1 1 -27 12  14 o 24.327  2.6728  91.662    15.354    72.195    26.105    101.957   18.984    21.684  4.6352  26.969  2.6628  -5.285286      5.345575 
1 1 1 -27 12  15 o 43.649  2.2088  265.434   24.961    292.599   40.981    249.412   31.472    45.161  3.4131  42.138  2.8045  3.022572       4.417508 
1 1 1 -27 12  16 o 20.772  3.6261  61.743    15.391    80.631    40.676    58.587    16.627    21.446  6.5103  20.098  3.1956  1.347960       7.252287 
1 1 1 -27 12  17 o 10.542  2.8775  12.057    11.120    16.248    18.653    9.7463    13.851    11.479  4.3739  9.6053  3.7402  1.873227       5.755006 
1 1 1 -27 12  18 o 14.965  2.8375  38.350    12.477    14.139    22.730    48.790    14.927    11.665  4.7100  18.265  3.1658  -6.600061      5.675034 
1 1 1 -27 12  19 o 26.085  2.7044  102.384   16.990    99.830    29.681    103.629   20.720    25.282  4.5504  26.889  2.9240  -1.607347      5.408865 
1 1 1 -27 12  20 o 13.813  3.0958  26.609    11.839    38.604    22.479    22.005    13.926    15.496  4.8638  12.129  3.8313  3.366871       6.191568 
1 1 1 -27 12  21 o 18.750  3.0931  51.309    14.245    68.020    26.347    44.406    16.933    20.464  4.8761  17.036  3.8067  3.428394       6.186101 
1 1 1 -27 12  22 o 19.866  3.1685  67.091    15.653    50.630    28.321    74.331    18.782    17.227  5.4659  22.504  3.2066  -5.276886      6.337076 
1 1 1 -27 12  23 o 15.025  3.2538  37.322    14.085    30.781    25.555    40.176    16.881    14.029  5.1662  16.020  3.9573  -1.990312      6.507653 
1 1 1 -27 12  24 o 12.360  5.2351  15.807    29.981    0.0000    0.0000    15.807    29.981    ?       ?       12.360  5.2351  ?              ?        
1 1 1 -27 12  25 o 8.4124  2.6728  -3.2148   11.209    4.7401    21.308    -6.2583   13.180    9.9264  4.3113  6.8984  3.1602  3.028024       5.345505 
1 1 1 -27 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 13  4  o 31.286  3.1798  152.483   23.885    96.410    35.705    197.898   32.133    25.011  5.4811  37.561  3.2252  -12.54914      6.359593 
1 1 1 -27 13  5  o 36.921  1.8428  187.790   17.865    191.949   27.709    184.831   23.370    37.183  2.8028  36.660  2.3932  0.5235023      3.685506 
1 1 1 -27 13  6  f 42.415  1.8688  246.493   20.946    265.287   32.188    232.689   27.585    43.749  2.7610  41.081  2.5192  2.668976       3.737570 
1 1 1 -27 13  7  o 26.456  2.0279  94.644    13.882    118.062   22.297    79.821    17.740    29.049  2.9047  23.863  2.8306  5.185316       4.055799 
1 1 1 -27 13  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 13  9  o 19.179  2.5331  52.020    12.083    59.174    20.478    48.199    14.966    20.027  3.9580  18.331  3.1622  1.695105       5.066116 
1 1 1 -27 13  10 o 19.655  2.6334  56.842    12.698    55.602    21.755    57.482    15.638    19.208  4.3318  20.101  2.9960  -0.8928890     5.266891 
1 1 1 -27 13  11 o 16.809  2.6966  37.864    11.346    57.197    20.273    29.045    13.692    19.603  3.9965  14.014  3.6214  5.589176       5.393214 
1 1 1 -27 13  12 o 44.017  2.2264  271.600   25.377    285.833   41.234    262.922   32.196    44.687  3.4722  43.348  2.7878  1.338932       4.452883 
1 1 1 -27 13  13 o 32.927  2.2493  149.168   18.958    176.360   31.952    134.396   23.551    35.002  3.4532  30.852  2.8833  4.149942       4.498678 
1 1 1 -27 13  14 f 41.893  2.2278  241.080   24.161    290.529   40.113    212.925   30.268    44.991  3.3527  38.795  2.9346  6.196419       4.455607 
1 1 1 -27 13  15 o 41.099  2.3663  245.277   24.652    236.202   40.737    250.520   30.965    40.028  3.8470  42.170  2.7566  -2.141644      4.732690 
1 1 1 -27 13  16 o 38.138  3.8498  215.562   38.789    215.562   38.789    0.0000    0.0000    38.138  3.8498  ?       ?       ?              ?        
1 1 1 -27 13  17 o 21.896  2.8640  72.795    14.924    73.442    27.107    72.514    17.877    21.410  4.8406  22.382  3.0624  -0.9720383     5.727931 
1 1 1 -27 13  18 o 23.238  2.6969  77.315    15.415    94.896    27.181    68.979    18.717    24.829  4.2393  21.648  3.3350  3.180927       5.393863 
1 1 1 -27 13  19 o 18.922  3.0291  52.589    14.026    66.747    25.796    46.647    16.713    20.306  4.8159  17.537  3.6755  2.768522       6.058194 
1 1 1 -27 13  20 o 17.563  3.1639  47.909    13.981    52.405    25.893    46.059    16.611    17.719  5.1491  17.406  3.6782  0.3137665      6.327849 
1 1 1 -27 13  21 o 36.280  2.4715  187.733   22.677    219.250   39.182    171.859   27.807    38.093  3.8950  34.466  3.0434  3.626907       4.942981 
1 1 1 -27 13  22 o 20.425  3.2603  69.061    16.371    63.552    29.794    71.444    19.595    19.032  5.5213  21.818  3.4691  -2.786688      6.520659 
1 1 1 -27 13  23 o 10.334  3.8702  14.148    14.459    0.0000    0.0000    14.148    14.459    ?       ?       10.334  3.8702  ?              ?        
1 1 1 -27 13  24 o 9.2118  2.7057  5.8828    11.696    -16.3112  22.185    14.426    13.764    8.1876  3.8652  10.236  3.7874  -2.048293      5.411456 
1 1 1 -27 14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 14  3  o 14.353  2.3077  31.813    8.5044    22.280    14.271    37.063    10.590    12.463  3.8694  16.242  2.5157  -3.778379      4.615334 
1 1 1 -27 14  4  o 11.701  2.2905  21.211    7.8874    8.6544    13.609    27.563    9.6788    9.4917  3.7042  13.909  2.6952  -4.417665      4.581017 
1 1 1 -27 14  5  o 18.014  2.5038  52.082    10.965    32.842    18.566    62.388    13.588    14.852  4.3727  21.176  2.4403  -6.323983      5.007576 
1 1 1 -27 14  6  o 26.324  2.0395  94.216    13.874    114.048   22.462    81.982    17.642    28.469  2.9904  24.179  2.7742  4.289925       4.079047 
1 1 1 -27 14  7  o 48.233  5.2638  354.706   66.900    354.706   66.900    0.0000    0.0000    48.233  5.2638  ?       ?       ?              ?        
1 1 1 -27 14  8  o 10.478  2.3204  14.615    9.1230    -11.9118  16.396    26.512    10.980    7.4502  3.4528  13.505  3.1008  -6.054956      4.640809 
1 1 1 -27 14  9  f 22.026  2.5013  67.326    13.767    82.926    23.454    59.127    17.004    23.788  3.8097  20.264  3.2422  3.523779       5.002559 
1 1 1 -27 14  10 o 21.264  2.8615  79.592    14.668    35.667    24.834    103.123   18.177    15.343  5.1358  27.185  2.5251  -11.84260      5.723036 
1 1 1 -27 14  11 o 29.475  2.3906  122.935   17.692    132.479   30.136    117.916   21.854    30.057  3.8304  28.894  2.8614  1.162762       4.781189 
1 1 1 -27 14  12 o 29.956  2.8335  123.349   19.217    154.278   39.700    113.883   21.961    31.596  4.8456  28.316  2.9384  3.280479       5.666914 
1 1 1 -27 14  13 o 72.730  3.1165  779.239   53.575    831.866   102.996   759.718   62.729    72.471  5.3437  72.990  3.2086  -0.5185318     6.233004 
1 1 1 -27 14  14 o 21.726  3.3926  76.077    16.690    71.156    35.020    77.524    18.985    20.308  6.0130  23.143  3.1440  -2.835552      6.785292 
1 1 1 -27 14  15 o 35.541  5.6455  208.488   51.945    208.488   51.945    0.0000    0.0000    35.541  5.6455  ?       ?       ?              ?        
1 1 1 -27 14  16 o 20.164  3.3754  58.664    15.347    79.116    33.698    53.312    17.238    21.451  5.7485  18.877  3.5394  2.574409       6.750772 
1 1 1 -27 14  17 o 16.301  3.4281  39.423    13.994    50.738    30.415    36.384    15.761    17.227  5.6807  15.374  3.8389  1.853031       6.856235 
1 1 1 -27 14  18 o 33.796  2.7005  175.748   22.052    156.417   37.669    185.828   27.200    31.537  4.5944  36.056  2.8395  -4.518839      5.401019 
1 1 1 -27 14  19 o 21.859  2.9666  70.261    15.689    86.807    28.582    63.124    18.770    23.209  4.7575  20.508  3.5454  2.701202       5.933206 
1 1 1 -27 14  20 o 39.527  2.5116  227.948   25.130    246.927   42.745    217.923   31.066    40.227  4.0210  38.827  3.0107  1.400311       5.023240 
1 1 1 -27 14  21 o 16.847  3.2966  39.177    14.429    71.281    27.645    27.156    16.916    20.545  5.0576  13.150  4.2299  7.395247       6.593301 
1 1 1 -27 14  22 f 13.210  3.2076  28.270    13.299    20.097    26.497    31.022    15.376    12.447  5.0638  13.974  3.9387  -1.527283      6.415296 
1 1 1 -27 14  23 o 10.532  3.0356  11.917    13.981    -2.5189   24.026    19.308    17.191    9.6197  4.3520  11.445  4.2330  -1.824957      6.071105 
1 1 1 -27 15  1  o 17.629  2.1865  44.116    9.7450    46.832    15.623    42.386    12.468    17.975  3.3688  17.283  2.7882  0.6922665      4.372979 
1 1 1 -27 15  2  o 27.369  2.6069  108.524   16.069    107.164   31.516    109.002   18.679    26.729  4.5661  28.009  2.5167  -1.280090      5.213701 
1 1 1 -27 15  3  o 34.734  1.7747  167.210   16.395    162.574   23.053    171.954   23.322    34.234  2.5320  35.234  2.4872  -0.9995766     3.549301 
1 1 1 -27 15  4  o 8.5299  1.7863  7.8687    5.7799    19.377    7.6725    -7.2322   8.7888    11.636  2.5337  5.4243  2.5189  6.211223       3.572697 
1 1 1 -27 15  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 15  6  o 17.092  2.1479  42.021    9.4443    42.008    12.857    42.036    13.918    17.136  2.9049  17.048  3.1646  0.8854866E-01  4.295760 
1 1 1 -27 15  7  o 31.389  1.8863  137.872   15.695    139.977   21.861    135.633   22.546    31.671  2.5999  31.107  2.7337  0.5638542      3.772651 
1 1 1 -27 15  8  o 39.780  1.8981  220.824   20.086    208.997   27.784    233.773   29.073    38.652  2.7007  40.908  2.6679  -2.256630      3.796257 
1 1 1 -27 15  9  o 20.980  2.1492  63.013    11.712    60.809    16.096    65.493    17.073    20.599  3.0059  21.360  3.0726  -0.7612457     4.298358 
1 1 1 -27 15  10 o 17.794  2.3531  46.825    10.749    53.751    14.988    39.490    15.424    19.330  2.9915  16.259  3.6331  3.070826       4.706179 
1 1 1 -27 15  11 o 39.025  1.9849  215.295   20.583    223.716   28.870    206.589   29.353    39.866  2.7199  38.184  2.8915  1.682655       3.969713 
1 1 1 -27 15  12 o 58.126  2.1058  480.301   32.674    478.844   45.950    481.791   46.470    58.051  2.9651  58.200  2.9911  -0.1495361     4.211679 
1 1 1 -27 15  13 o 20.186  2.3505  60.209    12.209    65.292    16.998    54.792    17.548    21.210  3.0822  19.163  3.5495  2.046656       4.700924 
1 1 1 -27 15  14 o 31.461  2.8595  141.410   23.833    141.410   23.833    0.0000    0.0000    31.461  2.8595  ?       ?       ?              ?        
1 1 1 -27 15  15 o 26.175  2.1821  99.260    14.925    88.021    20.725    111.368   21.512    24.525  3.2339  27.824  2.9305  -3.298704      4.364169 
1 1 1 -27 15  16 o 9.6285  2.4594  10.668    8.8098    19.402    12.220    1.2166    12.712    11.420  3.5864  7.8366  3.3665  3.583810       4.918890 
1 1 1 -27 15  17 o 21.904  2.4283  72.049    13.293    48.776    18.363    97.674    19.269    17.727  3.9666  26.081  2.8022  -8.354397      4.856553 
1 1 1 -27 15  18 o 25.177  2.2940  93.984    14.840    109.739   20.846    77.795    21.131    27.603  2.8612  22.750  3.5865  4.852573       4.587984 
1 1 1 -27 15  19 o 14.756  2.7525  33.885    11.436    22.565    15.924    45.943    16.435    12.204  4.1124  17.308  3.6595  -5.103771      5.504917 
1 1 1 -27 15  20 o 39.643  2.1048  228.527   22.132    245.491   31.365    211.704   31.234    41.237  2.8573  38.050  3.0914  3.186680       4.209612 
1 1 1 -27 15  21 o 12.747  2.8284  25.656    10.966    31.256    15.287    19.719    15.741    14.001  3.9206  11.494  4.0779  2.507203       5.656850 
1 1 1 -27 15  22 o 13.639  4.0469  30.302    15.851    30.302    15.851    0.0000    0.0000    13.639  4.0469  ?       ?       ?              ?        
1 1 1 -27 16  1  o 16.980  2.0559  41.276    8.9846    36.111    12.484    46.826    12.941    15.799  3.0607  18.162  2.7458  -2.363641      4.111876 
1 1 1 -27 16  2  o 33.669  1.8045  157.877   16.152    158.371   22.815    157.380   22.870    33.726  2.5443  33.612  2.5596  0.1139832      3.609032 
1 1 1 -27 16  3  o 49.077  2.3214  356.303   28.367    292.300   46.399    394.505   35.846    44.779  3.9077  53.376  2.5073  -8.596836      4.642897 
1 1 1 -27 16  4  o 22.043  3.3489  70.330    19.151    70.330    19.151    0.0000    0.0000    22.043  3.3489  ?       ?       ?              ?        
1 1 1 -27 16  5  o 32.973  1.8572  152.016   16.160    131.433   22.437    174.199   23.293    30.563  2.7710  35.382  2.4734  -4.819336      3.714320 
1 1 1 -27 16  6  o 19.499  2.2670  55.716    11.296    62.965    15.566    47.652    16.418    21.036  2.8349  17.962  3.5383  3.073391       4.533934 
1 1 1 -27 16  7  f 33.961  1.8982  161.751   17.111    153.637   23.690    170.600   24.742    33.058  2.6990  34.863  2.6699  -1.804241      3.796403 
1 1 1 -27 16  8  o 8.1215  2.1702  6.4852    6.8726    11.656    9.0589    -0.5272   10.549    9.2476  3.1019  6.9954  3.0359  2.252134       4.340299 
1 1 1 -27 16  9  o 18.270  2.3459  49.163    11.042    51.235    15.374    46.956    15.870    18.742  3.1759  17.798  3.4535  0.9437313      4.691775 
1 1 1 -27 16  10 o 31.280  2.0146  139.365   16.670    142.458   23.184    136.054   23.987    31.699  2.7581  30.861  2.9373  0.8383808      4.029222 
1 1 1 -27 16  11 o 45.546  2.0356  295.009   24.697    286.359   34.413    304.197   35.466    44.855  2.8795  46.237  2.8780  -1.381958      4.071189 
1 1 1 -27 16  12 o 22.872  3.2242  76.568    19.204    0.0000    0.0000    76.568    19.204    ?       ?       22.872  3.2242  ?              ?        
1 1 1 -27 16  13 o 32.625  2.0881  153.529   17.974    163.920   25.069    142.537   25.783    33.893  2.7861  31.357  3.1109  2.536167       4.176135 
1 1 1 -27 16  14 o 11.414  2.5257  18.691    9.4258    29.141    12.940    6.8763    13.758    13.843  3.4906  8.9851  3.6514  4.857551       5.051465 
1 1 1 -27 16  15 o 9.7583  2.5356  11.890    9.0647    17.287    12.071    4.9119    13.727    10.873  3.5784  8.6438  3.5934  2.228977       5.071258 
1 1 1 -27 16  16 o 10.812  2.2283  13.565    9.2988    33.685    12.438    -11.9351  14.002    15.002  3.1933  6.6217  3.1088  8.380023       4.456639 
1 1 1 -27 16  17 o 14.243  2.7878  31.666    10.989    29.371    15.033    34.300    16.102    13.716  3.9046  14.771  3.9802  -1.055332      5.575629 
1 1 1 -27 16  18 o 10.758  2.7397  15.481    10.331    9.3204    14.280    22.248    14.966    9.4444  3.7607  12.071  3.9850  -2.626431      5.479342 
1 1 1 -27 16  19 o 25.575  2.3806  98.162    15.881    102.176   22.243    93.989    22.682    26.214  3.2366  24.935  3.4919  1.279196       4.761226 
1 1 1 -27 16  20 o 13.047  2.8724  27.171    11.182    31.479    16.083    23.140    15.557    13.948  4.0595  12.147  4.0649  1.800872       5.744858 
1 1 1 -27 16  21 o 15.576  4.0597  39.877    17.110    39.877    17.110    0.0000    0.0000    15.576  4.0597  ?       ?       ?              ?        
1 1 1 -27 17  1  o 21.425  2.2984  68.442    12.316    55.727    18.817    77.971    16.289    19.331  3.7696  23.520  2.6308  -4.189392      4.596857 
1 1 1 -27 17  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 17  3  o 10.445  2.3735  15.310    7.9634    21.312    10.664    7.7428    11.973    12.023  3.2387  8.8659  3.4705  3.157285       4.746999 
1 1 1 -27 17  4  o 26.318  2.0404  98.925    13.790    75.719    19.116    124.106   19.913    22.874  3.2084  29.761  2.5217  -6.886848      4.080756 
1 1 1 -27 17  5  o 4.7384  1.5534  -5.0592   4.6317    -1.7513   5.5054    -13.0716  8.5683    4.8083  2.1359  4.6684  2.2561  0.1398726      3.106801 
1 1 1 -27 17  6  o 13.161  2.4027  25.179    8.6556    18.191    11.570    34.060    13.044    11.170  3.4868  15.153  3.3067  -3.983296      4.805396 
1 1 1 -27 17  7  o 6.3669  1.9568  -1.0544   6.3467    2.4261    8.2537    -6.0897   9.9276    6.7684  2.7978  5.9654  2.7364  0.8029976      3.913555 
1 1 1 -27 17  8  o 9.2327  2.3672  9.7539    8.2209    17.108    10.888    0.0036    12.537    10.827  3.3829  7.6383  3.3123  3.188872       4.734499 
1 1 1 -27 17  9  o 36.546  2.0315  190.368   19.698    177.705   27.260    204.204   28.495    35.238  2.9144  37.855  2.8308  -2.616604      4.062927 
1 1 1 -27 17  10 o 20.845  2.3506  64.266    12.668    64.558    17.531    63.947    18.326    20.950  3.2278  20.740  3.4180  0.2093716      4.701207 
1 1 1 -27 17  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 17  12 o 5.2425  1.7361  -13.6949  6.2935    -23.5272  8.2620    -0.1034   9.7139    3.7478  1.8811  6.7371  2.9185  -2.989359      3.472197 
1 1 1 -27 17  13 o 15.884  2.6833  39.231    11.256    41.161    15.399    37.017    16.495    16.408  3.6027  15.361  3.9776  1.046543       5.366674 
1 1 1 -27 17  14 o 8.4958  2.4157  5.7985    8.7071    10.958    11.783    -0.4064   12.923    9.3650  3.4965  7.6265  3.3341  1.738444       4.831343 
1 1 1 -27 17  15 o 12.570  2.8138  24.359    10.598    23.832    14.449    24.973    15.592    12.441  3.8986  12.699  4.0585  -0.2576618     5.627680 
1 1 1 -27 17  16 o 22.596  2.4258  76.828    14.161    79.469    19.446    73.847    20.662    23.155  3.2229  22.037  3.6265  1.117601       4.851669 
1 1 1 -27 17  17 o 10.113  2.4598  10.793    9.8515    26.798    13.377    -8.1773   14.563    13.115  3.6657  7.1107  3.2809  6.003966       4.919545 
1 1 1 -27 17  18 o 21.368  2.6379  72.225    14.270    86.317    19.610    56.366    20.803    24.113  3.1087  18.622  4.2627  5.490286       5.275858 
1 1 1 -27 17  19 o 13.452  2.7417  29.343    11.339    41.977    15.499    14.798    16.631    16.330  3.6369  10.575  4.1038  5.754928       5.483452 
1 1 1 -27 17  20 o 8.8452  3.5888  7.9800    13.265    7.9800    13.265    0.0000    0.0000    8.8452  3.5888  ?       ?       ?              ?        
1 1 1 -27 18  1  o 27.374  2.0226  106.824   14.602    105.389   20.238    108.381   21.088    27.205  2.8182  27.544  2.9020  -0.3386326     4.045259 
1 1 1 -27 18  2  o 22.266  2.1881  71.853    12.459    56.592    17.209    88.661    18.061    19.570  3.4069  24.963  2.7466  -5.393398      4.376181 
1 1 1 -27 18  3  o 11.782  2.5476  20.716    8.8188    22.637    11.810    18.295    13.259    12.299  3.4467  11.265  3.7524  1.034816       5.095113 
1 1 1 -27 18  4  o 8.7210  2.3425  8.0249    7.4225    5.6753    9.4878    11.731    11.917    7.8128  3.0798  9.6292  3.5306  -1.816460      4.685063 
1 1 1 -27 18  5  o 4.7363  1.6001  -7.8326   5.1019    -5.7412   5.9304    -13.7890  10.008    4.3258  2.0284  5.1468  2.4751  -0.8209314     3.200132 
1 1 1 -27 18  6  o 9.2035  2.4570  9.3135    8.2322    6.0331    10.716    14.036    12.858    8.1724  3.2567  10.235  3.6798  -2.062110      4.913956 
1 1 1 -27 18  7  o 6.3256  1.9451  -11.1345  6.7397    -22.5130  8.4703    8.5003    11.127    3.8916  1.9462  8.7595  3.3685  -4.867892      3.890280 
1 1 1 -27 18  8  o 22.783  2.2920  76.601    13.547    78.987    18.680    73.954    19.675    23.265  3.0730  22.302  3.4014  0.9624767      4.583970 
1 1 1 -27 18  9  o 12.230  2.5451  22.746    9.8080    33.706    13.195    9.2143    14.662    14.924  3.3796  9.5365  3.8065  5.387236       5.090242 
1 1 1 -27 18  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 18  11 o 8.7648  2.4824  7.2775    8.7986    6.8290    11.750    7.8502    13.276    8.5137  3.4043  9.0160  3.6139  -0.5022945     4.964852 
1 1 1 -27 18  12 o 11.414  2.5222  16.612    9.7319    2.5559    13.156    33.600    14.463    8.1067  3.4520  14.722  3.6782  -6.615597      5.044359 
1 1 1 -27 18  13 o 10.282  2.2614  9.8372    9.3378    31.164    12.818    -14.2764  13.630    14.285  3.3993  6.2789  2.9834  8.006346       4.522841 
1 1 1 -27 18  14 o 19.429  2.6337  57.853    13.158    44.881    17.969    72.850    19.320    16.822  4.0389  22.036  3.3813  -5.214045      5.267468 
1 1 1 -27 18  15 o 13.041  2.7901  26.749    11.012    35.105    15.283    17.725    15.882    14.930  3.8093  11.152  4.0778  3.777610       5.580256 
1 1 1 -27 18  16 o 9.0385  2.5444  6.9084    9.8790    15.435    13.414    -3.1989   14.604    10.432  3.7576  7.6450  3.4316  2.787083       5.088759 
1 1 1 -27 18  17 o 9.0354  2.6047  6.9700    10.109    1.7582    14.008    12.633    14.602    8.1035  3.5076  9.9674  3.8517  -1.863905      5.209462 
1 1 1 -27 18  18 o 10.798  4.0826  16.687    16.171    0.0000    0.0000    16.687    16.171    ?       ?       10.798  4.0826  ?              ?        
1 1 1 -27 18  19 o 7.0674  2.2901  -5.0585   9.6332    -1.3268   11.891    -12.1858  16.433    7.0500  3.1350  7.0848  3.3391  -0.3481007E-01 4.580182 
1 1 1 -27 19  1  o 9.5396  2.3599  11.656    7.2727    9.1392    9.1887    15.876    11.899    8.5380  3.1048  10.541  3.5549  -2.003291      4.719891 
1 1 1 -27 19  2  o 28.541  2.0659  118.175   15.386    133.852   21.538    101.838   21.987    30.681  2.6468  26.402  3.1726  4.278889       4.131711 
1 1 1 -27 19  3  o 7.7087  2.2263  4.2475    7.3339    7.0415    9.3283    -0.2747   11.868    8.0486  3.0868  7.3688  3.2090  0.6797824      4.452629 
1 1 1 -27 19  4  o 34.435  2.0272  170.549   18.502    173.747   25.697    167.107   26.660    34.844  2.7764  34.026  2.9546  0.8184891      4.054406 
1 1 1 -27 19  5  o 18.510  2.4311  51.212    11.569    47.171    15.567    56.196    17.289    17.700  3.4074  19.321  3.4684  -1.620975      4.862111 
1 1 1 -27 19  6  o 16.093  2.5954  41.271    11.230    54.495    15.382    26.180    16.432    19.219  3.0931  12.968  4.1687  6.250594       5.190853 
1 1 1 -27 19  7  o 27.051  2.2015  107.011   15.569    94.076    21.506    121.255   22.568    25.210  3.2613  28.891  2.9581  -3.680704      4.402946 
1 1 1 -27 19  8  o 16.776  5.4735  49.409    28.265    0.0000    0.0000    49.409    28.265    ?       ?       16.776  5.4735  ?              ?        
1 1 1 -27 19  9  o 22.942  2.3610  78.498    14.005    68.898    19.389    88.969    20.251    21.333  3.5158  24.552  3.1522  -3.218876      4.722038 
1 1 1 -27 19  10 o 15.750  2.7873  39.057    11.710    36.425    15.938    42.144    17.262    15.191  3.8977  16.309  3.9855  -1.117819      5.574594 
1 1 1 -27 19  11 o 15.476  2.8120  38.168    11.738    40.578    16.161    35.477    17.078    16.088  3.8093  14.864  4.1374  1.223269       5.623974 
1 1 1 -27 19  12 o 20.825  2.5728  66.183    13.795    59.035    18.925    74.285    20.150    19.523  3.7555  22.126  3.5177  -2.603123      5.145686 
1 1 1 -27 19  13 o 31.489  2.2703  147.190   18.834    151.770   26.126    142.236   27.174    32.127  3.0736  30.850  3.3420  1.276876       4.540536 
1 1 1 -27 19  14 o 29.003  2.3570  125.982   17.945    117.214   24.796    135.624   26.004    27.885  3.3895  30.120  3.2761  -2.234680      4.713985 
1 1 1 -27 19  15 o 11.924  2.8039  21.546    11.145    31.622    15.565    10.947    15.964    13.981  3.9706  9.8658  3.9599  4.115717       5.607767 
1 1 1 -27 19  16 o 10.671  2.6929  15.187    10.803    26.957    14.739    1.5247    15.880    12.897  3.9197  8.4441  3.6936  4.453245       5.385822 
1 1 1 -27 19  17 o 21.997  3.9275  78.262    22.291    0.0000    0.0000    78.262    22.291    ?       ?       21.997  3.9275  ?              ?        
1 1 1 -27 20  1  o 30.858  2.0444  137.932   16.693    133.145   23.471    142.833   23.747    30.281  2.9304  31.435  2.8515  -1.153282      4.088819 
1 1 1 -27 20  2  o 9.5924  2.3312  9.6528    8.8930    23.485    11.827    -8.3405   13.489    12.383  3.4418  6.8014  3.1450  5.581984       4.662307 
1 1 1 -27 20  3  o 12.691  2.3861  20.987    9.5929    3.7722    12.580    44.911    14.829    8.1417  3.4165  17.240  3.3319  -9.098697      4.772201 
1 1 1 -27 20  4  o 13.706  2.6738  27.925    10.535    16.944    13.908    42.707    16.137    10.846  3.8348  16.566  3.7270  -5.719750      5.347542 
1 1 1 -27 20  5  o 19.673  2.5073  60.189    12.541    71.533    17.251    47.474    18.263    22.055  2.9980  17.291  4.0197  4.763790       5.014524 
1 1 1 -27 20  6  o 38.641  2.9473  217.275   30.274    0.0000    0.0000    217.275   30.274    ?       ?       38.641  2.9473  ?              ?        
1 1 1 -27 20  7  o 35.989  2.9013  188.297   27.730    188.297   27.730    0.0000    0.0000    35.989  2.9013  ?       ?       ?              ?        
1 1 1 -27 20  8  o 6.3594  2.0643  -6.0871   7.9812    -3.0736   10.256    -10.7133  12.708    6.4144  2.8777  6.3044  2.9604  0.1100664      4.128565 
1 1 1 -27 20  9  o 12.460  2.8211  23.745    10.790    17.751    14.611    30.935    16.002    11.031  3.9272  13.890  4.0511  -2.859326      5.642145 
1 1 1 -27 20  10 o 12.368  2.7001  22.291    10.752    9.1743    14.787    37.009    15.663    9.4484  3.8045  15.288  3.8325  -5.839343      5.400219 
1 1 1 -27 20  11 o 16.619  2.8269  43.864    12.664    31.525    17.281    58.177    18.612    13.915  4.2477  19.323  3.7312  -5.408709      5.653715 
1 1 1 -27 20  12 o 16.863  2.8474  45.531    12.787    36.296    17.491    56.131    18.739    14.873  4.2040  18.852  3.8415  -3.979236      5.694767 
1 1 1 -27 20  13 o 22.362  2.6123  77.878    15.090    75.004    20.866    81.028    21.848    21.933  3.6824  22.791  3.7064  -0.8578358     5.224669 
1 1 1 -27 20  14 o 7.6453  2.3753  -1.5835   9.7232    5.8322    13.476    -9.6373   14.043    8.5511  3.5581  6.7395  3.1477  1.811553       4.750558 
1 1 1 -27 20  15 o 25.327  2.5516  100.292   16.691    86.403    22.966    115.839   24.299    23.237  3.8229  27.417  3.3804  -4.180891      5.103168 
1 1 1 -27 20  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 21  1  o 9.3821  2.5246  5.5652    9.7839    -7.1347   12.934    22.553    14.959    6.7314  3.1009  12.033  3.9847  -5.301264      5.049113 
1 1 1 -27 21  2  o 15.421  2.7420  38.394    11.438    44.485    15.633    31.377    16.780    16.941  3.5583  13.902  4.1727  3.039329       5.483914 
1 1 1 -27 21  3  o 24.095  2.3944  88.195    14.908    96.017    20.719    79.797    21.468    25.433  3.1059  22.758  3.6449  2.675655       4.788740 
1 1 1 -27 21  4  o 9.3836  3.7761  9.1704    14.557    0.0000    0.0000    9.1704    14.557    ?       ?       9.3836  3.7761  ?              ?        
1 1 1 -27 21  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -27 21  6  o 28.618  2.2589  122.256   16.990    126.670   23.767    117.644   24.297    29.251  3.0798  27.985  3.3053  1.266285       4.517738 
1 1 1 -27 21  7  o 19.125  2.7334  57.939    13.464    59.667    18.228    55.864    19.974    19.641  3.5975  18.610  4.1163  1.030987       5.466755 
1 1 1 -27 21  8  o 22.433  2.5087  76.853    14.514    67.921    19.872    87.066    21.248    20.914  3.6819  23.951  3.4083  -3.036797      5.017299 
1 1 1 -27 21  9  o 12.521  2.5864  19.671    11.070    -0.3241   14.674    46.084    16.866    7.9865  3.5203  17.056  3.7901  -9.069880      5.172783 
1 1 1 -27 21  10 o 8.8460  2.4466  4.4518    9.7902    18.616    13.332    -12.1254  14.423    11.055  3.7627  6.6369  3.1281  4.418222       4.893167 
1 1 1 -27 21  11 o 8.5475  2.5021  2.9222    10.250    14.110    13.895    -10.4309  15.181    10.115  3.7929  6.9805  3.2643  3.134079       5.004170 
1 1 1 -27 21  12 o 7.7989  2.3809  -0.2401   9.5662    8.4794    13.285    -9.6300   13.786    8.9417  3.6042  6.6562  3.1121  2.285485       4.761833 
1 1 1 -27 21  13 f 19.617  2.8665  63.443    14.539    63.353    19.932    63.545    21.254    19.733  3.9094  19.502  4.1935  0.2315254      5.733098 
1 1 1 -27 21  14 f 37.035  2.3412  211.594   22.884    189.834   31.733    235.170   33.032    34.845  3.4451  39.225  3.1711  -4.379078      4.682431 
1 1 1 -27 22  1  o 11.049  2.6200  15.379    9.8631    4.2139    12.836    31.475    15.412    8.1793  3.4427  13.918  3.9505  -5.738503      5.240054 
1 1 1 -27 22  2  o 11.288  4.7449  13.954    24.331    0.0000    0.0000    13.954    24.331    ?       ?       11.288  4.7449  ?              ?        
1 1 1 -27 22  3  o 13.139  4.1740  28.236    16.511    28.236    16.511    0.0000    0.0000    13.139  4.1740  ?       ?       ?              ?        
1 1 1 -27 22  4  o 12.312  2.5860  19.265    10.756    1.2010    14.160    43.910    16.539    8.0420  3.5036  16.582  3.8045  -8.540367      5.171939 
1 1 1 -27 22  5  o 11.301  2.8489  18.642    10.863    14.110    14.341    24.744    16.641    10.185  3.8461  12.418  4.2039  -2.232693      5.697798 
1 1 1 -27 22  6  o 7.1754  2.2462  -8.7928   9.0382    -20.8174  11.705    8.9666    14.225    5.1133  2.5076  9.2375  3.7273  -4.124189      4.492303 
1 1 1 -27 22  7  o 16.783  2.9040  47.833    13.366    60.347    18.060    32.679    19.874    19.690  3.5552  13.875  4.5928  5.814582       5.808020 
1 1 1 -27 22  8  o 11.097  2.8461  18.073    10.848    14.675    14.333    22.630    16.596    10.253  3.8507  11.940  4.1920  -1.687040      5.692207 
1 1 1 -27 22  9  o 18.158  3.0001  55.745    14.363    61.718    19.436    48.558    21.320    19.617  3.8364  16.700  4.6135  2.917309       6.000203 
1 1 1 -27 22  10 o 17.134  3.0338  49.644    13.881    46.200    19.029    53.561    20.294    16.495  4.2728  17.773  4.3078  -1.278732      6.067503 
1 1 1 -27 22  11 o 9.1422  2.6811  6.3332    10.915    -0.6598   14.425    15.700    16.694    7.7551  3.4506  10.529  4.1045  -2.774199      5.362240 
1 1 1 -27 22  12 o 9.3642  2.5864  7.4093    10.979    22.313    14.626    -11.8294  16.617    11.626  3.9411  7.1022  3.3505  4.523962       5.172863 
1 1 1 -27 23  1  o 11.910  3.1467  20.911    12.316    19.139    14.303    25.994    24.221    11.124  3.8925  12.695  4.9453  -1.571861      6.293455 
1 1 1 -27 23  2  o 7.7292  2.4381  -2.6687   10.060    -7.0674   12.915    4.1203    16.044    6.6728  3.0826  8.7856  3.7783  -2.112867      4.876298 
1 1 1 -27 23  3  f 23.678  2.6883  90.013    16.167    104.276   22.331    74.305    23.435    26.189  3.2535  21.168  4.2805  5.021648       5.376639 
1 1 1 -27 23  4  o 8.8911  2.6291  6.4848    10.338    5.8230    13.460    7.4366    16.143    8.5234  3.5521  9.2588  3.8769  -0.7354059     5.258121 
1 1 1 -27 23  5  o 11.762  3.0428  20.444    12.747    12.311    17.045    30.764    19.201    10.108  4.0796  13.416  4.5158  -3.308285      6.085691 
1 1 1 -27 23  6  o 11.968  2.9812  22.772    11.977    17.684    16.395    28.596    17.540    10.916  4.1146  13.021  4.3150  -2.104810      5.962321 
1 1 1 -27 23  7  o 10.010  2.7771  13.244    10.838    13.138    14.686    13.370    16.061    9.9122  3.8536  10.108  3.9999  -0.1958313     5.554252 
1 1 1 -27 23  8  o 13.599  2.6907  26.232    12.379    2.0580    16.535    57.059    18.672    8.5273  3.7485  18.671  3.8611  -10.14341      5.381407 
1 1 1 -27 23  9  o 10.404  2.8937  13.773    11.884    6.9310    15.552    23.374    18.423    8.9518  3.7798  11.856  4.3828  -2.904692      5.787493 
1 1 1 -27 23  10 o 16.052  3.1214  46.490    13.953    51.315    19.180    41.066    20.336    17.186  4.2018  14.918  4.6171  2.268270       6.242767 
1 1 1 -27 24  1  o 11.100  2.8707  19.216    11.384    23.585    14.869    13.029    17.697    11.986  3.9729  10.214  4.1448  1.771970       5.741369 
1 1 1 -27 24  2  o 12.946  2.7807  26.244    12.770    47.789    17.498    1.6920    18.679    17.002  3.9223  8.8904  3.9426  8.111493       5.561316 
1 1 1 -27 24  3  o 8.9656  2.7013  1.4477    11.688    -9.1357   15.070    17.422    18.514    6.9910  3.2637  10.940  4.3055  -3.949181      5.402664 
1 1 1 -27 24  4  f 9.8050  2.7304  12.500    10.826    17.304    13.954    5.2352    17.160    10.594  3.8301  9.0156  3.8923  1.578684       5.460771 
1 1 1 -27 24  5  o 8.9972  2.6611  5.8442    11.495    15.130    14.979    -7.4598   17.929    10.214  3.9129  7.7802  3.6075  2.434049       5.322119 
1 1 1 -27 24  6  o 8.2340  2.5646  0.8826    11.285    7.2352    15.111    -7.1271   16.968    8.8911  3.7384  7.5769  3.5119  1.314229       5.129263 
1 1 1 -27 24  7  o 12.979  3.1142  29.524    12.990    23.220    17.462    37.337    19.438    11.696  4.2760  14.263  4.5286  -2.566936      6.228310 
1 1 1 -27 24  8  o 12.196  3.0497  26.462    12.954    33.557    17.347    17.516    19.478    13.636  4.2714  10.756  4.3540  2.880219       6.099412 
1 1 1 -27 25  1  o 9.5677  3.4924  -11.0739  9.5635    13.610    11.642    -62.2903  16.770    9.5677  3.4924  ?       ?       ?              ?        
1 1 1 -27 25  2  o 8.5257  2.5625  1.6871    11.488    15.307    14.978    -17.7740  17.903    10.150  3.9068  6.9014  3.3169  3.248712       5.124972 
1 1 1 -27 25  3  o 12.058  2.9774  21.815    12.672    7.7633    16.584    41.534    19.645    9.1186  3.8791  14.998  4.5179  -5.879526      5.954756 
1 1 1 -27 25  4  o 8.1495  2.4912  0.6009    11.032    12.406    14.132    -17.8116  17.649    9.4921  3.7533  6.8069  3.2768  2.685184       4.982460 
1 1 1 -27 25  5  f 19.053  3.1952  68.793    16.433    83.387    22.362    51.660    24.231    22.170  3.9087  15.937  5.0557  6.232836       6.390498 
1 1 1 -27 25  6  o 9.5195  2.7973  10.374    11.621    5.0142    15.009    18.395    18.362    8.3747  3.6279  10.664  4.2588  -2.289525      5.594510 
1 1 1 -27 26  1  o 14.528  3.2987  41.525    14.523    41.359    19.525    41.729    21.730    14.666  4.5215  14.390  4.8043  0.2762547      6.597355 
1 1 1 -27 26  2  o 13.554  3.0342  35.562    13.761    49.202    18.306    17.839    20.866    16.471  4.1508  10.637  4.4269  5.834566       6.068480 
1 1 1 -27 26  3  o 16.636  3.3275  55.573    15.624    59.845    21.091    50.377    23.258    17.797  4.4393  15.475  4.9580  2.321637       6.655002 
1 1 1 -26 -19 11 o 27.748  2.8187  114.762   20.126    138.846   29.964    94.967    27.166    30.591  3.7345  24.906  4.2230  5.684565       5.637432 
1 1 1 -26 -19 12 o 37.321  2.4908  203.094   24.557    219.925   35.771    188.093   33.772    38.828  3.4763  35.813  3.5682  3.014977       4.981614 
1 1 1 -26 -19 13 f 13.148  2.9019  23.864    14.474    -12.3406  23.553    45.835    18.348    9.0277  4.1679  17.268  4.0389  -8.240351      5.803805 
1 1 1 -26 -19 14 o 20.976  3.2659  68.775    17.699    73.748    27.195    65.120    23.313    21.494  4.8401  20.458  4.3862  1.036577       6.531895 
1 1 1 -26 -19 15 o 17.819  3.3198  47.996    16.381    71.436    25.692    31.941    21.263    21.278  4.6387  14.360  4.7504  6.918598       6.639593 
1 1 1 -26 -19 16 f 11.516  3.1602  15.888    14.107    8.2283    22.650    20.743    18.031    10.886  4.5770  12.147  4.3586  -1.261718      6.320323 
1 1 1 -26 -19 17 o 27.181  2.9577  112.485   20.786    114.648   30.622    110.638   28.306    27.313  4.3303  27.050  4.0299  0.2624798      5.915343 
1 1 1 -26 -18 5  f 20.589  2.8693  64.914    15.199    63.416    22.536    66.164    20.585    20.218  4.2942  20.961  3.8068  -0.7426567     5.738654 
1 1 1 -26 -18 6  o 29.529  2.5415  128.436   19.610    120.327   28.129    136.103   27.352    28.475  3.7817  30.583  3.3964  -2.108646      5.082981 
1 1 1 -26 -18 7  o 28.624  2.6109  120.528   19.534    126.419   28.281    115.154   27.013    29.305  3.6845  27.943  3.7003  1.361570       5.221848 
1 1 1 -26 -18 8  o 18.522  3.0911  51.785    15.088    66.392    23.166    41.023    19.885    20.808  4.2988  16.237  4.4431  4.571054       6.182289 
1 1 1 -26 -18 9  f 18.344  3.0795  51.866    14.819    52.453    22.437    51.411    19.735    18.321  4.5836  18.367  4.1138  -0.4592514E-01 6.158970 
1 1 1 -26 -18 10 o 14.119  2.9720  22.990    13.693    55.482    22.065    2.6420    17.461    18.951  4.4270  9.2880  3.9665  9.662457       5.944021 
1 1 1 -26 -18 11 o 28.351  2.7285  120.507   19.695    102.379   29.232    135.577   26.653    25.994  4.3524  30.708  3.2917  -4.714493      5.456969 
1 1 1 -26 -18 12 o 39.804  2.4066  227.703   25.398    232.925   36.635    222.871   35.242    40.222  3.4334  39.387  3.3732  0.8352013      4.813137 
1 1 1 -26 -18 13 f 15.582  3.3476  38.379    16.033    22.594    24.852    49.633    20.985    13.222  5.0461  17.941  4.4002  -4.719833      6.695168 
1 1 1 -26 -18 14 o 28.758  2.7408  123.057   20.280    111.532   30.059    132.685   27.474    27.228  4.2615  30.288  3.4480  -3.060564      5.481663 
1 1 1 -26 -18 15 o 8.1829  2.6178  -6.2126   12.049    -7.9854   19.271    -5.0746   15.439    8.5204  3.8717  7.8454  3.5244  0.6750584      5.235606 
1 1 1 -26 -18 16 o 12.190  3.2726  17.577    14.460    24.855    23.255    12.990    18.463    13.401  4.9292  10.978  4.3062  2.422424       6.545290 
1 1 1 -26 -18 17 o 19.724  3.2106  59.472    16.971    83.902    25.276    39.419    22.900    23.588  4.1523  15.860  4.8979  7.728065       6.421173 
1 1 1 -26 -18 18 o 23.245  3.1158  84.066    18.535    67.663    26.900    98.892    25.574    20.642  4.9326  25.847  3.8082  -5.204584      6.231601 
1 1 1 -26 -18 19 o 43.107  2.4460  268.113   27.951    290.806   40.670    247.798   38.479    44.885  3.4083  41.329  3.5092  3.556458       4.891943 
1 1 1 -26 -18 20 o 12.563  3.1504  19.194    15.095    -2.5542   22.403    37.278    20.429    9.6962  4.3079  15.429  4.5980  -5.733035      6.300768 
1 1 1 -26 -18 21 o 18.723  3.4737  56.903    17.687    51.318    26.333    61.493    23.874    17.701  5.2067  19.745  4.5996  -2.043568      6.947346 
1 1 1 -26 -18 22 o 29.585  2.9043  133.530   22.116    116.584   31.835    149.338   30.748    27.410  4.4918  31.760  3.6828  -4.349964      5.808567 
1 1 1 -26 -17 1  o 14.153  3.2454  31.070    13.881    31.092    22.192    31.056    17.790    14.171  4.8545  14.136  4.3085  0.3470325E-01  6.490731 
1 1 1 -26 -17 2  o 9.5374  2.7347  7.9511    10.719    3.5372    18.072    10.347    13.313    9.4748  4.0405  9.6000  3.6863  -0.1251478     5.469392 
1 1 1 -26 -17 3  o 24.814  2.7189  91.977    17.428    86.944    25.131    96.640    24.190    24.014  4.0512  25.614  3.6273  -1.599855      5.437824 
1 1 1 -26 -17 4  o 34.365  2.3764  170.379   21.592    169.277   30.669    171.462   30.403    34.233  3.3893  34.496  3.3319  -0.2634659     4.752801 
1 1 1 -26 -17 5  o 35.822  2.3497  184.290   22.288    185.828   31.717    182.789   31.326    35.966  3.3302  35.679  3.3159  0.2870293      4.699487 
1 1 1 -26 -17 6  o 44.240  2.2357  278.223   26.293    263.674   36.912    293.208   37.462    43.008  3.2278  45.473  3.0942  -2.465057      4.471324 
1 1 1 -26 -17 7  o 18.131  3.0673  50.566    14.703    46.403    21.600    54.161    20.071    17.309  4.5857  18.953  4.0749  -1.643879      6.134608 
1 1 1 -26 -17 8  o 31.989  2.4844  147.444   20.615    178.153   29.920    119.691   28.444    35.383  3.1914  28.596  3.8083  6.787432       4.968738 
1 1 1 -26 -17 9  o 35.882  2.3836  183.580   22.403    217.923   32.680    153.128   30.772    39.211  3.1379  32.553  3.5889  6.657982       4.767275 
1 1 1 -26 -17 10 o 12.499  2.6295  22.424    11.722    -6.5390   19.505    38.797    14.665    8.7593  3.9457  16.238  3.4768  -7.478486      5.258965 
1 1 1 -26 -17 11 o 11.061  2.9806  13.585    12.803    0.5010    21.208    21.087    16.059    9.8923  4.2988  12.229  4.1298  -2.336988      5.961139 
1 1 1 -26 -17 12 o 10.969  3.0369  12.107    12.444    15.697    21.224    10.226    15.361    11.878  4.6286  10.060  3.9328  1.818427       6.073790 
1 1 1 -26 -17 13 o 36.620  2.4081  190.870   23.192    220.879   33.932    164.560   31.772    39.436  3.2411  33.805  3.5626  5.631081       4.816281 
1 1 1 -26 -17 14 o 29.285  2.6352  123.655   19.972    148.675   29.553    102.620   27.097    32.163  3.4863  26.408  3.9525  5.755051       5.270319 
1 1 1 -26 -17 15 o 15.876  3.3113  37.659    14.966    46.513    23.142    31.296    19.621    17.307  4.8159  14.444  4.5458  2.863834       6.622510 
1 1 1 -26 -17 16 o 25.500  2.8774  95.612    18.621    125.126   27.626    71.039    25.208    29.413  3.5806  21.587  4.5054  7.825933       5.754896 
1 1 1 -26 -17 17 o 18.049  3.2939  50.265    16.002    53.084    23.543    47.843    21.817    18.489  4.7337  17.610  4.5816  0.8786469      6.587823 
1 1 1 -26 -17 18 o 14.252  2.8429  29.118    13.868    -0.9537   20.875    52.874    18.554    9.6425  4.2259  18.861  3.8040  -9.218156      5.685870 
1 1 1 -26 -17 19 o 8.6755  2.7122  -8.8030   13.631    -31.2946  20.828    8.0476    18.028    7.1649  3.4760  10.186  4.1642  -3.021245      5.424315 
1 1 1 -26 -17 20 o 22.253  3.1727  75.602    18.235    81.244    26.686    70.659    24.975    23.050  4.4837  21.456  4.4900  1.594805       6.345351 
1 1 1 -26 -17 21 o 9.7159  2.9298  -1.1758   14.092    14.239    20.750    -14.3736  19.200    11.509  4.5489  7.9229  3.6937  3.585874       5.859664 
1 1 1 -26 -17 22 o 9.5188  2.9462  -0.2495   14.279    -0.5796   20.969    0.0359    19.499    9.6395  4.2298  9.3981  4.1024  0.2413435      5.892417 
1 1 1 -26 -17 23 f 18.962  3.4415  57.642    17.606    53.116    25.583    61.714    24.267    18.127  5.0704  19.797  4.6548  -1.669796      6.883076 
1 1 1 -26 -17 24 o 19.720  3.4637  63.099    18.536    48.280    26.375    77.563    26.057    17.158  5.2494  22.283  4.5204  -5.124701      6.927474 
1 1 1 -26 -17 25 o 29.913  2.9361  137.584   22.326    108.944   31.706    165.750   31.443    26.286  4.6745  33.541  3.5541  -7.254416      5.872180 
1 1 1 -26 -16 1  o 19.266  2.9741  57.828    14.876    48.296    22.373    65.381    19.916    17.526  4.6785  21.007  3.6732  -3.481728      5.948193 
1 1 1 -26 -16 2  o 19.856  2.9267  60.332    15.030    52.540    21.995    67.158    20.587    18.418  4.4975  21.294  3.7462  -2.875875      5.853310 
1 1 1 -26 -16 3  o 16.170  4.6994  40.551    21.567    40.551    21.567    0.0000    0.0000    16.170  4.6994  ?       ?       ?              ?        
1 1 1 -26 -16 4  o 44.355  3.9885  287.905   46.878    287.905   46.878    0.0000    0.0000    44.355  3.9885  ?       ?       ?              ?        
1 1 1 -26 -16 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 7  o 38.534  3.7459  214.476   38.174    0.0000    0.0000    214.476   38.174    ?       ?       38.534  3.7459  ?              ?        
1 1 1 -26 -16 8  o 28.688  3.9328  120.313   29.424    0.0000    0.0000    120.313   29.424    ?       ?       28.688  3.9328  ?              ?        
1 1 1 -26 -16 9  o 20.551  3.7657  61.999    19.964    0.0000    0.0000    61.999    19.964    ?       ?       20.551  3.7657  ?              ?        
1 1 1 -26 -16 10 o 10.011  3.6205  12.442    12.470    0.0000    0.0000    12.442    12.470    ?       ?       10.011  3.6205  ?              ?        
1 1 1 -26 -16 11 o 36.176  3.8883  189.707   37.085    0.0000    0.0000    189.707   37.085    ?       ?       36.176  3.8883  ?              ?        
1 1 1 -26 -16 12 o 15.970  4.5443  38.709    20.367    0.0000    0.0000    38.709    20.367    ?       ?       15.970  4.5443  ?              ?        
1 1 1 -26 -16 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 16 o 19.451  4.7106  58.084    24.281    58.084    24.281    0.0000    0.0000    19.451  4.7106  ?       ?       ?              ?        
1 1 1 -26 -16 17 o 23.548  2.9683  84.727    17.670    61.979    25.687    105.161   24.346    20.029  4.8416  27.067  3.4355  -7.037531      5.936673 
1 1 1 -26 -16 18 o 28.388  2.7434  117.201   20.216    132.512   29.497    103.641   27.760    30.245  3.7196  26.531  4.0335  3.714186       5.486724 
1 1 1 -26 -16 19 o 15.144  3.4133  34.706    15.843    27.415    23.214    41.064    21.676    13.939  4.9514  16.350  4.6997  -2.411304      6.826682 
1 1 1 -26 -16 20 o 24.280  3.0007  88.375    18.760    84.250    27.122    92.159    25.976    23.599  4.4541  24.960  4.0221  -1.361305      6.001375 
1 1 1 -26 -16 21 o 28.185  2.8423  118.254   20.496    97.307    29.152    138.731   28.822    25.371  4.4522  30.999  3.5345  -5.627901      5.684657 
1 1 1 -26 -16 22 o 11.292  3.1711  12.991    14.323    10.961    21.251    14.681    19.389    11.162  4.5374  11.421  4.4314  -0.2592754     6.342293 
1 1 1 -26 -16 23 o 9.3559  2.9189  -2.0287   14.253    -1.1689   21.066    -2.7547   19.356    9.6282  4.2318  9.0835  4.0215  0.5446844      5.837871 
1 1 1 -26 -16 24 o 19.848  3.3493  62.228    17.664    71.428    24.752    52.680    25.216    21.544  4.4372  18.153  5.0183  3.390644       6.698669 
1 1 1 -26 -16 25 o 25.612  3.0232  101.701   19.465    72.294    27.618    130.727   27.439    21.285  4.9397  29.939  3.4870  -8.654610      6.046463 
1 1 1 -26 -16 26 o 32.308  2.6860  154.973   22.762    145.290   31.845    165.087   32.548    31.186  3.8975  33.430  3.6969  -2.243919      5.371933 
1 1 1 -26 -16 27 o 14.147  3.4251  28.505    16.989    9.7048    23.789    48.076    24.272    11.178  4.6948  17.116  4.9885  -5.938561      6.850266 
1 1 1 -26 -15 1  o 11.367  4.0213  17.327    15.297    0.0000    0.0000    17.327    15.297    ?       ?       11.367  4.0213  ?              ?        
1 1 1 -26 -15 2  o 11.409  2.8333  16.657    11.476    4.8861    17.413    25.695    15.258    9.6341  4.0296  13.183  3.9840  -3.549268      5.666615 
1 1 1 -26 -15 3  o 21.894  2.7333  70.681    15.329    85.992    22.176    56.673    21.212    24.388  3.4947  19.400  4.2036  4.988483       5.466546 
1 1 1 -26 -15 4  o 22.414  2.7477  74.428    15.604    98.779    22.597    52.234    21.572    26.290  3.2803  18.538  4.4089  7.752361       5.495371 
1 1 1 -26 -15 5  o 30.420  2.4486  133.693   19.268    110.895   27.415    155.948   27.087    27.604  3.8094  33.236  3.0777  -5.631504      4.897297 
1 1 1 -26 -15 6  o 35.947  2.2521  182.784   21.384    165.205   29.913    201.160   30.583    34.087  3.3183  37.808  3.0458  -3.720524      4.504236 
1 1 1 -26 -15 7  o 32.695  2.3153  152.897   19.751    130.379   28.191    174.607   27.681    30.125  3.5627  35.265  2.9578  -5.139750      4.630521 
1 1 1 -26 -15 8  o 26.696  2.5865  102.851   17.700    126.330   25.755    81.836    24.365    29.808  3.2801  23.583  4.0002  6.224726       5.173046 
1 1 1 -26 -15 9  o 26.561  2.5250  101.139   17.282    122.163   25.314    82.787    23.652    29.312  3.2805  23.809  3.8394  5.503023       5.050008 
1 1 1 -26 -15 10 o 20.694  2.9202  68.173    15.405    40.965    23.481    88.735    20.413    16.377  4.9407  25.012  3.1145  -8.634611      5.840445 
1 1 1 -26 -15 11 o 32.168  2.3843  146.286   20.149    165.188   29.786    130.339   27.358    34.128  3.2996  30.209  3.4426  3.919159       4.768542 
1 1 1 -26 -15 12 o 23.268  2.7178  78.667    16.286    89.618    23.904    69.180    22.249    24.868  3.7016  21.667  3.9804  3.200994       5.435557 
1 1 1 -26 -15 13 o 39.396  2.2703  218.539   23.702    237.505   34.374    201.347   32.727    41.069  3.1488  37.724  3.2713  3.345425       4.540571 
1 1 1 -26 -15 14 o 16.584  2.9491  39.108    13.590    61.382    20.926    22.859    17.873    20.381  3.9760  12.787  4.3566  7.594204       5.898168 
1 1 1 -26 -15 15 f 21.092  2.9220  65.258    15.871    89.577    23.730    45.573    21.349    24.873  3.6722  17.310  4.5461  7.563484       5.843999 
1 1 1 -26 -15 16 o 17.705  3.1169  48.865    15.325    30.224    22.680    64.527    20.789    14.445  4.9077  20.965  3.8437  -6.520452      6.233745 
1 1 1 -26 -15 17 f 15.051  3.3330  37.019    17.378    -18.3532  38.132    51.533    19.523    11.498  5.3066  18.604  4.0341  -7.105399      6.665905 
1 1 1 -26 -15 18 o 34.709  4.2489  177.112   38.676    0.0000    0.0000    177.112   38.676    ?       ?       34.709  4.2489  ?              ?        
1 1 1 -26 -15 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -15 20 o 21.531  3.8852  85.846    22.876    101.449   26.130    34.634    47.338    26.389  3.8069  16.673  6.7741  9.715981       7.770498 
1 1 1 -26 -15 21 o 31.369  2.6662  144.882   21.229    109.982   30.204    178.956   29.845    27.188  4.2898  35.550  3.1675  -8.361851      5.332479 
1 1 1 -26 -15 22 o 32.020  2.5854  148.245   21.764    153.852   30.972    142.776   30.590    32.659  3.6005  31.381  3.7112  1.277437       5.170791 
1 1 1 -26 -15 23 o 34.640  2.5223  173.573   22.886    152.062   32.320    195.204   32.410    32.293  3.8100  36.988  3.3062  -4.695259      5.044510 
1 1 1 -26 -15 24 o 34.239  2.5535  170.349   22.906    151.393   32.452    189.170   32.336    32.149  3.8449  36.328  3.3612  -4.178932      5.106947 
1 1 1 -26 -15 25 o 15.342  3.4875  35.753    17.054    49.338    23.774    21.352    24.477    17.682  4.8664  13.001  4.9969  4.680940       6.975020 
1 1 1 -26 -15 26 o 17.642  3.4363  49.306    17.615    30.647    24.849    68.151    24.973    14.365  5.1208  20.920  4.5836  -6.554144      6.872515 
1 1 1 -26 -15 27 o 21.203  3.3160  71.162    18.308    74.274    25.057    67.598    26.816    21.886  4.4265  20.521  4.9385  1.365297       6.631954 
1 1 1 -26 -15 28 o 26.688  3.1200  110.999   21.153    85.576    29.610    137.500   30.231    23.035  4.9468  30.342  3.8034  -7.306749      6.239908 
1 1 1 -26 -14 1  o 10.154  2.7756  10.781    10.894    3.6925    17.585    15.197    13.878    9.5208  4.0196  10.786  3.8287  -1.265350      5.551237 
1 1 1 -26 -14 2  o 10.941  2.8382  14.817    10.815    15.783    16.457    14.084    14.348    11.253  4.1455  10.629  3.8776  0.6233959      5.676330 
1 1 1 -26 -14 3  o 12.854  2.8725  20.624    12.098    39.287    18.290    6.1053    16.132    16.144  4.1924  9.5646  3.9280  6.579579       5.745025 
1 1 1 -26 -14 4  o 26.629  2.3835  101.461   16.602    106.963   23.664    96.129    23.297    27.387  3.2919  25.870  3.4480  1.516600       4.767050 
1 1 1 -26 -14 5  o 10.554  2.5953  14.136    9.8543    -0.1156   16.376    22.225    12.338    8.7595  3.7920  12.349  3.5445  -3.589413      5.190666 
1 1 1 -26 -14 6  o 19.451  2.7793  55.427    13.963    66.520    20.671    46.118    18.935    21.338  3.7539  17.563  4.0996  3.774237       5.558675 
1 1 1 -26 -14 7  o 10.899  2.8352  12.420    10.958    22.728    17.461    5.7223    14.075    12.736  4.3063  9.0624  3.6892  3.673696       5.670482 
1 1 1 -26 -14 8  o 24.187  2.5525  86.427    15.572    69.276    23.062    100.799   21.111    21.627  4.1317  26.746  2.9984  -5.118507      5.105065 
1 1 1 -26 -14 9  o 23.073  2.6944  77.788    15.955    75.135    23.794    79.956    21.507    22.574  4.0857  23.573  3.5137  -0.9990520     5.388805 
1 1 1 -26 -14 10 o 34.416  2.2597  166.593   20.536    183.579   29.868    151.365   28.281    36.129  3.1170  32.704  3.2724  3.425175       4.519351 
1 1 1 -26 -14 11 o 27.105  2.4089  104.367   17.057    114.476   25.013    95.581    23.319    28.365  3.3575  25.845  3.4551  2.520094       4.817735 
1 1 1 -26 -14 12 o 19.656  2.8879  56.350    14.637    66.976    22.287    48.290    19.411    21.309  4.0529  18.004  4.1151  3.304934       5.775806 
1 1 1 -26 -14 13 o 7.6547  2.3925  -7.0003   9.4275    5.6271    16.008    -13.7056  11.665    9.4989  3.9083  5.8105  2.7606  3.688421       4.784944 
1 1 1 -26 -14 14 o 32.408  2.3562  148.915   20.112    149.322   29.461    148.559   27.523    32.387  3.4493  32.430  3.2107  -0.4294205E-01 4.712364 
1 1 1 -26 -14 15 o 16.040  2.9925  36.658    13.571    56.315    20.662    21.747    17.996    19.476  4.0909  12.604  4.3686  6.872571       5.985026 
1 1 1 -26 -14 16 o 30.185  2.4234  130.470   19.106    122.662   28.034    137.241   26.108    29.200  3.6651  31.169  3.1714  -1.968412      4.846704 
1 1 1 -26 -14 17 o 22.174  2.9428  73.574    16.741    63.783    24.344    82.358    23.058    20.533  4.5464  23.815  3.7378  -3.281376      5.885636 
1 1 1 -26 -14 18 o 32.835  2.3731  153.200   20.570    155.144   29.561    151.376   28.641    33.019  3.3906  32.651  3.3212  0.3685608      4.746193 
1 1 1 -26 -14 19 o 31.041  2.4614  137.632   20.100    143.122   29.003    132.557   27.883    31.643  3.4794  30.440  3.4826  1.203430       4.922850 
1 1 1 -26 -14 20 o 39.154  3.1145  228.428   28.822    219.092   52.510    232.453   34.481    37.734  5.3449  40.574  3.1987  -2.840199      6.228964 
1 1 1 -26 -14 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -14 22 o 15.727  4.8039  37.646    22.098    37.646    22.098    0.0000    0.0000    15.727  4.8039  ?       ?       ?              ?        
1 1 1 -26 -14 23 o 10.069  2.8797  1.9350    13.467    -16.9214  19.135    20.439    18.956    7.7468  3.6361  12.391  4.4665  -4.644467      5.759457 
1 1 1 -26 -14 24 o 18.213  3.4660  51.456    17.443    41.972    24.124    61.846    25.251    16.449  5.0182  19.978  4.7824  -3.528852      6.932092 
1 1 1 -26 -14 25 o 44.438  2.3842  282.474   28.098    261.771   39.687    303.283   39.788    42.688  3.5019  46.189  3.2365  -3.500919      4.768443 
1 1 1 -26 -14 26 o 28.397  2.8070  119.624   20.630    106.047   29.118    133.309   29.233    26.575  4.2327  30.220  3.6881  -3.644995      5.614059 
1 1 1 -26 -14 27 o 38.914  2.4840  219.351   25.549    201.767   35.737    237.734   36.540    37.210  3.6320  40.619  3.3895  -3.409260      4.967945 
1 1 1 -26 -14 28 o 16.944  3.3771  44.759    17.946    71.709    25.242    17.211    25.520    21.439  4.5372  12.450  5.0034  8.989605       6.754252 
1 1 1 -26 -14 29 o 48.126  2.4294  337.511   31.110    336.267   43.826    338.775   44.169    48.045  3.4281  48.208  3.4434  -0.1622467     4.858884 
1 1 1 -26 -13 1  o 21.116  2.5705  65.602    13.900    58.837    20.389    71.476    19.000    19.913  3.9621  22.319  3.2758  -2.405666      5.140912 
1 1 1 -26 -13 2  o 27.980  2.2478  111.171   16.524    117.571   23.460    104.871   23.278    28.833  3.0857  27.128  3.2695  1.705141       4.495665 
1 1 1 -26 -13 3  o 17.799  2.7059  46.258    12.527    57.214    18.656    37.262    16.905    19.795  3.6533  15.803  3.9925  3.991771       5.411711 
1 1 1 -26 -13 4  o 11.835  2.8970  18.687    11.126    21.605    16.871    16.440    14.802    12.466  4.2328  11.204  3.9566  1.262472       5.794059 
1 1 1 -26 -13 5  o 30.840  2.2086  134.321   17.911    148.038   25.452    120.864   25.210    32.495  2.9566  29.185  3.2818  3.310223       4.417194 
1 1 1 -26 -13 6  o 19.639  2.6415  55.881    13.343    68.200    19.716    45.471    18.123    21.756  3.5023  17.522  3.9552  4.233551       5.283011 
1 1 1 -26 -13 7  o 12.958  2.8892  24.229    11.198    22.344    16.929    25.695    14.930    12.648  4.2404  13.268  3.9255  -0.6208916     5.778459 
1 1 1 -26 -13 8  o 36.486  2.1481  186.206   20.788    192.512   30.076    180.437   28.764    37.070  3.0562  35.901  3.0194  1.169571       4.296175 
1 1 1 -26 -13 9  o 25.391  2.4816  91.510    16.313    106.646   24.170    78.847    22.108    27.397  3.3645  23.385  3.6487  4.012003       4.963145 
1 1 1 -26 -13 10 o 43.462  2.1161  263.026   24.450    282.216   35.417    245.553   33.794    45.002  2.9547  41.923  3.0300  3.078823       4.232108 
1 1 1 -26 -13 11 o 24.272  2.4921  84.995    15.569    78.450    23.008    90.523    21.146    23.251  3.8275  25.292  3.1926  -2.040466      4.984257 
1 1 1 -26 -13 12 o 9.2604  2.5740  6.5136    9.9749    -5.2785   15.923    14.131    12.797    8.0445  3.5989  10.476  3.6809  -2.431799      5.147971 
1 1 1 -26 -13 13 o 16.820  2.7689  40.909    12.627    60.619    18.790    24.681    17.050    20.490  3.5524  13.150  4.2484  7.340753       5.537877 
1 1 1 -26 -13 14 o 16.620  2.9778  40.858    13.221    45.155    19.842    37.427    17.731    17.377  4.2890  15.863  4.1319  1.513600       5.955560 
1 1 1 -26 -13 15 o 42.524  2.1772  252.993   24.620    257.143   35.427    249.116   34.240    42.845  3.1082  42.203  3.0496  0.6424866      4.354370 
1 1 1 -26 -13 16 o 24.320  2.6699  85.883    16.743    82.861    24.630    88.479    22.830    23.803  4.0054  24.836  3.5313  -1.033525      5.339815 
1 1 1 -26 -13 17 o 21.123  2.8895  68.745    15.653    38.897    22.415    97.155    21.868    16.055  4.8236  26.192  3.1825  -10.13753      5.778917 
1 1 1 -26 -13 18 o 12.940  3.0748  22.051    13.468    8.6591    19.254    34.882    18.846    10.610  4.3166  15.270  4.3799  -4.660303      6.149522 
1 1 1 -26 -13 19 o 48.114  2.2363  325.339   28.650    335.569   40.630    315.222   40.406    48.901  3.1182  47.328  3.2063  1.572937       4.472564 
1 1 1 -26 -13 20 o 27.828  2.5226  111.258   18.364    108.079   25.870    114.486   26.071    27.398  3.6134  28.257  3.5210  -0.8592148     5.045218 
1 1 1 -26 -13 21 o 25.318  2.8157  95.165    17.878    66.236    24.937    125.760   25.645    20.889  4.5828  29.747  3.2727  -8.858093      5.631415 
1 1 1 -26 -13 22 o 17.942  3.2301  49.025    15.623    55.731    22.466    42.745    21.742    19.165  4.4602  16.720  4.6734  2.444794       6.460192 
1 1 1 -26 -13 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -13 24 o 21.271  4.2589  67.849    21.674    63.569    24.161    85.494    49.056    20.426  4.5343  22.116  7.2107  -1.690071      8.517838 
1 1 1 -26 -13 25 o 8.8105  2.7733  -4.2383   13.208    -6.0496   18.787    -2.4681   18.573    8.6422  3.8846  8.9788  3.9590  -0.3365812     5.546508 
1 1 1 -26 -13 26 o 28.016  2.8283  115.806   20.482    100.797   28.493    131.857   29.464    25.952  4.2458  30.080  3.7376  -4.128305      5.656543 
1 1 1 -26 -13 27 o 36.355  2.5346  191.342   24.350    198.275   34.794    184.687   34.090    37.029  3.5516  35.681  3.6170  1.348740       5.069235 
1 1 1 -26 -13 28 o 31.656  2.6848  147.508   22.301    144.740   31.689    150.224   31.391    31.313  3.8600  31.999  3.7326  -0.6867924     5.369574 
1 1 1 -26 -13 29 o 23.700  3.2310  88.574    19.653    69.824    28.178    106.336   27.425    20.767  5.1024  26.634  3.9653  -5.867439      6.462079 
1 1 1 -26 -13 30 o 17.627  3.1602  45.539    18.700    1.1851    25.988    93.167    26.930    10.644  4.6887  24.610  4.2383  -13.96568      6.320413 
1 1 1 -26 -12 1  o 18.631  2.6726  51.565    12.857    43.809    18.578    58.695    17.812    17.109  4.1062  20.153  3.4221  -3.044685      5.345277 
1 1 1 -26 -12 2  o 10.000  2.3568  5.2138    8.9137    28.308    14.252    -9.6230   11.424    13.862  3.7485  6.1390  2.8577  7.723051       4.713550 
1 1 1 -26 -12 3  o 27.180  2.3966  106.202   16.710    127.565   23.647    84.896    23.615    30.157  2.9659  24.202  3.7653  5.954441       4.793109 
1 1 1 -26 -12 4  o 30.657  2.1969  132.218   17.784    128.133   25.091    136.341   25.210    30.156  3.1530  31.159  3.0601  -1.003153      4.393824 
1 1 1 -26 -12 5  o 42.031  2.0631  245.994   23.081    243.898   32.699    248.076   32.583    41.841  2.9363  42.220  2.8988  -0.3787079     4.126139 
1 1 1 -26 -12 6  o 33.205  2.1583  154.247   18.959    164.044   27.172    144.952   26.465    34.267  2.9904  32.142  3.1130  2.125580       4.316649 
1 1 1 -26 -12 7  o 18.190  2.7680  48.565    13.020    48.434    19.563    48.669    17.445    18.092  4.1282  18.288  3.6887  -0.1962566     5.536068 
1 1 1 -26 -12 8  o 47.706  2.0850  316.344   26.489    312.105   38.080    320.318   36.870    47.354  3.0180  48.057  2.8776  -0.7030563     4.169995 
1 1 1 -26 -12 9  o 36.037  2.1423  181.764   20.406    171.436   29.538    191.193   28.224    34.972  3.1884  37.102  2.8621  -2.130661      4.284569 
1 1 1 -26 -12 10 o 11.369  2.8488  16.351    10.749    18.448    16.619    14.842    14.094    11.896  4.1934  10.841  3.8574  1.055610       5.697691 
1 1 1 -26 -12 11 o 23.780  2.4509  80.742    15.080    78.940    22.238    82.276    20.518    23.450  3.6600  24.110  3.2608  -0.6600285     4.901874 
1 1 1 -26 -12 12 o 24.874  2.4560  89.122    15.673    77.103    22.904    99.706    21.494    23.095  3.8372  26.654  3.0666  -3.558327      4.912031 
1 1 1 -26 -12 13 o 11.538  2.8233  17.104    11.236    6.4130    17.285    24.926    14.786    9.9433  4.0727  13.134  3.9113  -3.190342      5.646634 
1 1 1 -26 -12 14 o 45.608  2.1311  289.569   25.876    289.105   37.110    290.009   36.100    45.546  3.0597  45.670  2.9672  -0.1241875     4.262128 
1 1 1 -26 -12 15 o 24.619  2.5021  86.070    15.960    96.929    23.597    76.913    21.669    26.096  3.4613  23.141  3.6141  2.955490       5.004272 
1 1 1 -26 -12 16 o 16.415  2.7412  38.384    13.216    68.053    19.354    12.463    18.091    21.806  3.4267  11.024  4.2795  10.78176       5.482403 
1 1 1 -26 -12 17 o 13.790  3.0541  27.351    12.972    17.944    18.825    35.855    17.899    12.046  4.4344  15.534  4.2009  -3.487388      6.108267 
1 1 1 -26 -12 18 o 23.279  2.7025  78.862    16.222    73.989    23.301    83.446    22.598    22.474  4.0183  24.084  3.6148  -1.609497      5.404937 
1 1 1 -26 -12 19 o 23.348  2.6609  79.030    16.070    76.428    22.528    81.725    22.930    22.932  3.8009  23.764  3.7249  -0.8318958     5.321818 
1 1 1 -26 -12 20 f 21.678  2.9151  70.193    16.188    47.600    22.510    94.393    23.297    17.685  4.6794  25.671  3.4778  -7.985359      5.830200 
1 1 1 -26 -12 21 o 17.039  2.9908  44.043    14.475    22.919    20.632    64.519    20.313    13.053  4.6646  21.025  3.7443  -7.972666      5.981528 
1 1 1 -26 -12 22 f 15.811  3.3075  37.816    14.974    36.730    20.634    39.025    21.765    15.594  4.6151  16.028  4.7389  -0.4342747     6.614914 
1 1 1 -26 -12 23 f 24.307  2.9713  90.320    18.003    52.588    25.215    129.561   25.714    18.407  4.9894  30.208  3.2280  -11.80133      5.942587 
1 1 1 -26 -12 24 o 33.752  3.9390  165.905   34.940    0.0000    0.0000    165.905   34.940    ?       ?       33.752  3.9390  ?              ?        
1 1 1 -26 -12 25 o 4.5307  2.2983  -52.4384  14.524    -52.4384  14.524    0.0000    0.0000    4.5307  2.2983  ?       ?       ?              ?        
1 1 1 -26 -12 26 o 19.610  3.1544  59.141    16.951    88.146    24.393    32.055    23.572    24.504  3.8429  14.716  5.0033  9.788146       6.308799 
1 1 1 -26 -12 27 o 15.915  3.4905  38.613    16.936    26.541    23.811    50.974    24.095    13.786  5.0003  18.044  4.8716  -4.258382      6.981076 
1 1 1 -26 -12 28 o 34.938  2.7152  180.621   24.178    135.776   33.946    226.794   34.445    30.036  4.3457  39.840  3.2563  -9.803804      5.430372 
1 1 1 -26 -12 29 o 24.967  3.1688  95.801    20.378    99.078    28.265    92.255    29.406    25.557  4.2805  24.377  4.6737  1.179680       6.337686 
1 1 1 -26 -12 30 o 26.212  3.0279  105.371   20.364    120.423   28.812    90.344    28.787    28.397  3.8902  24.027  4.6411  4.370413       6.055866 
1 1 1 -26 -12 31 o 29.126  3.0095  130.836   22.401    106.410   31.457    155.967   31.908    25.916  4.7050  32.335  3.7539  -6.419529      6.019030 
1 1 1 -26 -11 1  o 26.547  2.3100  100.315   15.836    82.227    22.120    119.334   22.682    23.915  3.5619  29.179  2.9424  -5.263927      4.620055 
1 1 1 -26 -11 2  o 40.815  2.0538  231.912   22.223    207.861   31.024    257.260   31.850    38.565  3.0277  43.065  2.7760  -4.499832      4.107695 
1 1 1 -26 -11 3  o 36.531  2.0802  185.871   20.174    179.335   28.243    192.680   28.828    35.860  2.9671  37.202  2.9164  -1.342628      4.160384 
1 1 1 -26 -11 4  o 46.815  2.0416  303.896   25.446    285.394   35.669    323.071   36.311    45.321  2.9545  48.308  2.8185  -2.986523      4.083244 
1 1 1 -26 -11 5  o 10.053  2.5182  11.515    9.3730    -1.6421   14.924    20.085    12.045    8.2390  3.5929  11.867  3.5293  -3.628241      5.036392 
1 1 1 -26 -11 6  o 52.015  2.0483  374.347   28.418    386.022   40.498    363.021   39.888    52.830  2.8727  51.200  2.9207  1.629700       4.096686 
1 1 1 -26 -11 7  o 14.948  2.8235  33.370    11.648    26.009    17.894    38.783    15.345    13.545  4.3498  16.351  3.6011  -2.805811      5.646959 
1 1 1 -26 -11 8  o 30.128  2.1443  126.359   17.050    133.758   24.725    119.651   23.543    30.980  3.0180  29.275  3.0470  1.704836       4.288675 
1 1 1 -26 -11 9  o 17.336  2.7460  43.682    12.408    46.482    18.310    41.306    16.872    17.841  3.9372  16.831  3.8288  1.009758       5.491935 
1 1 1 -26 -11 10 o 12.721  2.8382  22.647    10.724    24.208    16.443    21.492    14.147    13.095  4.1659  12.347  3.8558  0.7477436      5.676429 
1 1 1 -26 -11 11 o 30.251  2.1882  127.237   17.428    140.783   25.516    115.391   23.861    31.792  3.0333  28.710  3.1548  3.081217       4.376490 
1 1 1 -26 -11 12 o 22.156  2.5163  70.594    14.304    64.843    21.082    75.501    19.472    21.181  3.8582  23.131  3.2312  -1.949810      5.032512 
1 1 1 -26 -11 13 o 21.268  2.6584  66.901    14.307    50.894    21.002    80.760    19.542    18.563  4.3072  23.973  3.1172  -5.409769      5.316867 
1 1 1 -26 -11 14 o 11.824  2.8268  18.757    10.918    11.867    16.599    24.011    14.494    10.707  4.1150  12.940  3.8768  -2.232473      5.653589 
1 1 1 -26 -11 15 o 28.621  2.3930  116.773   17.679    96.772    25.253    135.999   24.759    26.009  3.7319  31.233  2.9964  -5.223970      4.785931 
1 1 1 -26 -11 16 o 32.419  2.2395  147.159   19.181    155.070   27.401    139.558   26.859    33.306  3.1074  31.532  3.2256  1.774261       4.478927 
1 1 1 -26 -11 17 o 49.836  2.1362  345.405   28.375    337.833   40.138    352.970   40.118    49.266  3.0568  50.405  2.9848  -1.139202      4.272347 
1 1 1 -26 -11 18 o 60.954  2.1944  517.708   35.707    515.987   50.348    519.450   50.650    60.855  3.0991  61.053  3.1075  -0.1979179     4.388766 
1 1 1 -26 -11 19 o 49.793  2.1662  346.023   28.741    354.696   40.590    337.302   40.703    50.451  3.0176  49.136  3.1087  1.314983       4.332443 
1 1 1 -26 -11 20 o 9.8792  2.8014  7.9930    11.293    7.0464    16.145    8.8997    15.801    9.7644  3.9601  9.9941  3.9633  -0.2296391     5.602709 
1 1 1 -26 -11 21 o 19.404  3.0414  56.181    15.479    44.285    21.401    69.230    22.415    17.104  4.5800  21.705  4.0031  -4.600536      6.082814 
1 1 1 -26 -11 22 o 25.833  2.7729  99.371    17.751    65.226    24.890    134.714   25.322    20.753  4.5986  30.913  3.1000  -10.15985      5.545901 
1 1 1 -26 -11 23 o 49.122  2.2176  339.249   29.023    336.310   41.079    342.177   41.010    48.896  3.1534  49.348  3.1187  -0.4519539     4.435107 
1 1 1 -26 -11 24 o 12.175  3.1318  17.667    13.955    28.906    19.411    5.6454    20.075    14.029  4.5330  10.320  4.3226  3.708049       6.263649 
1 1 1 -26 -11 25 o 26.169  3.8673  100.142   26.291    0.0000    0.0000    100.142   26.291    ?       ?       26.169  3.8673  ?              ?        
1 1 1 -26 -11 26 o 5.8017  2.8886  -42.7691  17.786    -42.7691  17.786    0.0000    0.0000    5.8017  2.8886  ?       ?       ?              ?        
1 1 1 -26 -11 27 o 18.775  3.0567  53.873    16.777    18.229    23.437    91.332    24.026    12.530  4.8691  25.020  3.6965  -12.48999      6.113312 
1 1 1 -26 -11 28 o 28.313  2.8060  118.451   20.657    112.412   29.377    124.358   29.054    27.493  4.1159  29.133  3.8149  -1.640676      5.611939 
1 1 1 -26 -11 29 o 60.203  2.3763  518.999   38.164    513.598   53.845    524.450   54.100    59.875  3.3712  60.530  3.3499  -0.6555138     4.752524 
1 1 1 -26 -11 30 o 24.591  3.2820  93.999    20.803    84.959    29.188    103.332   29.656    23.207  4.8518  25.974  4.4211  -2.767855      6.563988 
1 1 1 -26 -11 31 o 7.3235  2.4302  -9.3611   9.6384    -8.9409   21.007    -9.4731   10.848    8.7553  4.0031  5.8917  2.7565  2.863653       4.860328 
1 1 1 -26 -11 32 o 11.471  3.0997  15.533    12.094    22.576    23.227    12.913    14.165    12.775  4.8777  10.167  3.8262  2.607710       6.199324 
1 1 1 -26 -10 1  o 21.409  2.3976  65.753    13.221    59.261    18.942    71.920    18.462    20.263  3.6231  22.555  3.1412  -2.292143      4.795196 
1 1 1 -26 -10 2  o 5.6220  2.6598  -11.9051  10.609    -11.9051  10.609    0.0000    0.0000    5.6220  2.6598  ?       ?       ?              ?        
1 1 1 -26 -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 11 o 13.024  4.1109  23.840    16.036    23.840    16.036    0.0000    0.0000    13.024  4.1109  ?       ?       ?              ?        
1 1 1 -26 -10 12 o 26.137  2.2999  95.344    15.590    113.462   22.882    79.647    21.299    28.547  3.0392  23.726  3.4528  4.821083       4.599854 
1 1 1 -26 -10 13 o 8.8961  2.4340  4.4318    9.3586    -10.8136  14.561    15.163    12.216    7.0898  3.2746  10.702  3.6020  -3.612510      4.867966 
1 1 1 -26 -10 14 o 18.605  2.7809  50.559    13.396    46.912    19.651    53.725    18.310    17.885  4.1777  19.326  3.6714  -1.441460      5.561702 
1 1 1 -26 -10 15 o 34.701  2.2010  168.653   20.008    142.391   28.312    194.854   28.279    31.854  3.3694  37.548  2.8327  -5.693916      4.401954 
1 1 1 -26 -10 16 o 19.395  2.7239  55.056    13.623    44.878    19.462    64.834    19.074    17.457  4.2109  21.332  3.4565  -3.875120      5.447872 
1 1 1 -26 -10 17 o 38.703  2.1358  208.246   21.956    214.793   31.048    201.697   31.052    39.339  2.9685  38.067  3.0715  1.271553       4.271572 
1 1 1 -26 -10 18 o 11.455  2.6752  12.511    11.339    33.127    16.416    -6.3008   15.681    15.024  4.0060  7.8868  3.5467  7.136999       5.350472 
1 1 1 -26 -10 19 o 45.504  2.1378  288.114   25.907    287.423   36.577    288.810   36.698    45.449  3.0219  45.558  3.0246  -0.1083603     4.275505 
1 1 1 -26 -10 20 o 45.174  2.1704  284.687   26.095    274.638   36.656    295.013   37.156    44.341  3.1060  46.007  3.0323  -1.665997      4.340734 
1 1 1 -26 -10 21 o 27.196  2.5083  106.527   17.435    83.630    24.480    130.102   24.839    23.964  3.9516  30.429  3.0905  -6.464703      5.016580 
1 1 1 -26 -10 22 o 12.568  2.7643  17.720    12.614    41.397    17.763    -6.3626   17.914    16.693  4.0207  8.4443  3.7947  8.248335       5.528671 
1 1 1 -26 -10 23 o 14.159  3.0364  26.799    14.118    6.5271    19.681    48.285    20.262    10.388  4.3094  17.929  4.2788  -7.540718      6.072779 
1 1 1 -26 -10 24 o 32.140  2.4448  147.437   20.707    152.841   29.648    142.290   28.933    32.734  3.4326  31.546  3.4822  1.188366       4.889644 
1 1 1 -26 -10 25 o 36.406  2.3793  188.691   22.808    212.346   32.675    166.215   31.851    38.763  3.1749  34.048  3.5445  4.715382       4.758525 
1 1 1 -26 -10 26 o 29.955  3.6744  129.847   28.863    0.0000    0.0000    129.847   28.863    ?       ?       29.955  3.6744  ?              ?        
1 1 1 -26 -10 27 o 66.429  3.2929  624.268   58.591    624.268   58.591    0.0000    0.0000    66.429  3.2929  ?       ?       ?              ?        
1 1 1 -26 -10 28 o 24.211  3.1383  88.812    19.583    92.074    27.341    85.376    28.061    24.776  4.2744  23.646  4.5962  1.130016       6.276614 
1 1 1 -26 -10 29 o 12.627  3.0248  23.515    12.047    12.838    23.167    27.471    14.103    11.694  4.7433  13.560  3.7546  -1.866399      6.049509 
1 1 1 -26 -10 30 o 26.764  2.5597  95.730    17.022    140.203   30.181    74.985    20.613    30.911  3.7200  22.617  3.5169  8.293579       5.119320 
1 1 1 -26 -10 31 o 8.1477  2.6096  -4.5974   10.717    -3.5380   21.246    -4.9590   12.412    9.3472  4.1712  6.9481  3.1371  2.399015       5.219237 
1 1 1 -26 -10 32 o 18.872  3.2235  57.229    15.169    54.359    28.008    58.420    18.044    17.971  5.3903  19.773  3.5368  -1.802437      6.447009 
1 1 1 -26 -10 33 o 11.765  3.2371  16.944    13.374    21.386    25.936    15.336    15.609    12.757  5.0719  10.774  4.0239  1.983198       6.474254 
1 1 1 -26 -9  1  o 9.4388  2.4714  9.1027    8.4160    14.891    12.675    4.5388    11.255    10.679  3.6683  8.1992  3.3130  2.479348       4.942897 
1 1 1 -26 -9  2  o 10.824  2.5670  14.138    9.6794    2.0336    14.229    24.564    13.205    8.5913  3.6209  13.057  3.6396  -4.465305      5.133945 
1 1 1 -26 -9  3  o 66.280  2.0890  604.945   37.074    622.696   52.443    587.210   52.419    67.279  2.9102  65.281  2.9979  1.998055       4.178094 
1 1 1 -26 -9  4  o 62.373  2.0654  534.823   34.497    551.206   48.985    518.705   48.588    63.339  2.8874  61.407  2.9541  1.931980       4.130807 
1 1 1 -26 -9  5  f 43.323  1.9870  258.221   22.926    265.069   32.852    251.720   32.009    43.885  2.8096  42.761  2.8103  1.123867       3.973906 
1 1 1 -26 -9  6  o 8.7015  2.3927  5.8187    8.5219    -3.9600   13.544    12.226    10.964    7.5719  3.3575  9.8312  3.4097  -2.259293      4.785333 
1 1 1 -26 -9  7  o 40.669  1.9939  227.794   21.545    224.497   31.279    230.770   29.719    40.351  2.9137  40.987  2.7226  -0.6363564     3.987702 
1 1 1 -26 -9  8  o 13.090  2.3862  23.933    10.254    -0.4615   15.295    43.845    13.819    8.5481  3.6826  17.631  3.0356  -9.083364      4.772495 
1 1 1 -26 -9  9  o 40.757  2.0232  229.212   21.878    220.191   31.776    237.342   30.167    39.938  2.9922  41.577  2.7240  -1.638660      4.046403 
1 1 1 -26 -9  10 o 33.505  2.0658  154.426   18.296    171.657   26.770    139.321   25.064    35.286  2.8569  31.724  2.9847  3.561872       4.131648 
1 1 1 -26 -9  11 o 27.922  2.1861  108.343   16.049    110.325   23.455    106.599   22.007    28.139  3.1670  27.705  3.0142  0.4343300      4.372112 
1 1 1 -26 -9  12 o 9.8463  2.7987  -0.2266   10.230    21.393    21.188    -6.7984   11.682    13.087  4.7214  6.6060  3.0067  6.480595       5.597499 
1 1 1 -26 -9  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -9  15 o 17.717  2.7476  45.849    12.801    58.904    18.217    33.113    17.992    20.347  3.4669  15.086  4.2637  5.261129       5.495285 
1 1 1 -26 -9  16 o 45.220  2.1223  283.827   25.342    242.466   35.660    326.033   36.022    41.762  3.2126  48.678  2.7743  -6.915733      4.244657 
1 1 1 -26 -9  17 o 18.147  2.8159  49.123    13.655    28.608    19.413    69.210    19.210    14.185  4.5280  22.109  3.3487  -7.924090      5.631752 
1 1 1 -26 -9  18 o 29.027  2.2736  118.072   17.379    118.511   24.674    117.639   24.483    29.078  3.2222  28.975  3.2085  0.1028900      4.547177 
1 1 1 -26 -9  19 o 62.775  2.2145  546.809   37.156    528.083   52.251    565.965   52.848    61.621  3.1766  63.929  3.0863  -2.308636      4.428969 
1 1 1 -26 -9  20 o 20.837  2.7411  63.030    14.724    61.988    20.352    64.174    21.327    20.676  3.8155  20.998  3.9366  -0.3216248     5.482211 
1 1 1 -26 -9  21 o 16.294  3.0093  39.661    13.618    28.118    19.460    50.740    19.065    13.998  4.5403  18.589  3.9507  -4.590960      6.018540 
1 1 1 -26 -9  22 o 30.915  2.3644  135.378   19.220    145.307   27.279    125.591   27.084    32.114  3.2145  29.715  3.4681  2.398590       4.728714 
1 1 1 -26 -9  23 o 50.297  2.1829  354.237   29.247    368.746   41.428    339.819   41.296    51.371  3.0242  49.223  3.1487  2.147892       4.365771 
1 1 1 -26 -9  24 o 14.414  3.1995  29.595    14.310    17.979    19.794    42.314    20.711    12.121  4.5305  16.708  4.5190  -4.587185      6.398985 
1 1 1 -26 -9  25 o 14.526  3.3706  31.078    15.143    30.419    21.049    31.784    21.800    14.386  4.7249  14.665  4.8081  -0.2783470     6.741123 
1 1 1 -26 -9  26 o 9.4885  2.8814  1.5400    13.179    3.3231    18.589    -0.2617   18.686    9.7004  4.1161  9.2766  4.0332  0.4237633      5.762763 
1 1 1 -26 -9  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -9  28 o 14.933  3.1778  33.724    13.512    33.240    22.076    34.013    17.087    14.854  4.8369  15.013  4.1230  -0.1596985     6.355693 
1 1 1 -26 -9  29 f 21.310  3.0679  75.986    15.783    49.996    27.889    88.231    19.143    17.683  5.3958  24.938  2.9213  -7.254435      6.135821 
1 1 1 -26 -9  30 o 18.905  3.2233  58.913    15.548    44.299    28.271    65.251    18.617    16.662  5.4759  21.148  3.4019  -4.486176      6.446619 
1 1 1 -26 -9  31 o 13.902  3.1676  30.042    13.202    21.934    24.419    33.391    15.694    12.991  4.9915  14.812  3.9014  -1.821343      6.335281 
1 1 1 -26 -9  32 o 37.919  2.4160  206.577   23.093    219.899   39.493    199.657   28.466    38.384  3.8954  37.455  2.8591  0.9282799      4.831988 
1 1 1 -26 -9  33 o 8.3936  2.6739  -3.4118   12.128    -18.4232  23.399    2.1023    14.182    8.4525  3.9839  8.3347  3.5674  0.1177101      5.347724 
1 1 1 -26 -8  1  o 25.079  2.1598  87.906    14.197    90.778    19.973    84.974    20.183    25.524  2.9775  24.634  3.1295  0.8895855      4.319610 
1 1 1 -26 -8  2  o 51.101  1.9590  358.776   26.713    356.867   37.613    360.720   37.945    50.966  2.7656  51.236  2.7753  -0.2707138     3.918062 
1 1 1 -26 -8  3  o 24.034  2.1184  80.662    13.299    74.827    18.914    86.367    18.701    23.117  3.1356  24.952  2.8494  -1.834517      4.236860 
1 1 1 -26 -8  4  f 75.361  2.1768  781.305   43.915    762.248   62.582    799.791   61.639    74.416  3.1397  76.306  3.0158  -1.890457      4.353537 
1 1 1 -26 -8  5  o 44.373  1.9584  270.149   23.149    272.634   33.313    267.830   32.190    44.557  2.8056  44.189  2.7331  0.3680725      3.916786 
1 1 1 -26 -8  6  o 26.545  2.1428  99.371    14.645    81.812    21.250    115.256   20.212    24.136  3.3798  28.954  2.6350  -4.817965      4.285575 
1 1 1 -26 -8  7  o 12.178  2.4662  20.984    9.2446    8.0795    13.898    31.225    12.381    9.5596  3.7399  14.797  3.2157  -5.236992      4.932323 
1 1 1 -26 -8  8  o 52.063  2.0311  371.490   28.190    382.045   40.887    361.927   38.920    52.755  2.9048  51.371  2.8396  1.383747       4.062143 
1 1 1 -26 -8  9  o 11.000  2.5567  16.154    8.6546    16.207    13.261    16.115    11.423    11.118  3.7528  10.882  3.4733  0.2359591      5.113467 
1 1 1 -26 -8  10 o 36.879  2.0305  186.862   19.882    193.576   28.843    180.783   27.445    37.506  2.8935  36.253  2.8493  1.252731       4.060923 
1 1 1 -26 -8  11 o 13.551  2.5955  26.566    10.165    15.054    14.931    36.512    13.878    11.105  3.9682  15.997  3.3464  -4.892358      5.190906 
1 1 1 -26 -8  12 o 42.930  2.0657  254.198   23.536    236.327   33.674    271.268   32.910    41.390  3.0591  44.470  2.7768  -3.080090      4.131474 
1 1 1 -26 -8  13 o 11.435  2.5398  15.418    10.104    -1.1235   14.587    30.674    14.008    8.2704  3.5796  14.599  3.6041  -6.328445      5.079651 
1 1 1 -26 -8  14 o 21.732  2.4142  66.825    13.559    62.674    19.346    70.833    19.010    21.004  3.5662  22.459  3.2550  -1.454258      4.828328 
1 1 1 -26 -8  15 o 18.550  3.7698  49.512    18.092    0.0000    0.0000    49.512    18.092    ?       ?       18.550  3.7698  ?              ?        
1 1 1 -26 -8  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -8  17 o 8.9220  2.5525  3.4699    9.9802    -5.6391   14.487    11.698    13.769    7.6447  3.4256  10.199  3.7852  -2.554534      5.105082 
1 1 1 -26 -8  18 o 40.709  2.0831  229.188   22.559    232.617   31.959    225.783   31.847    41.022  2.9278  40.396  2.9640  0.6254997      4.166231 
1 1 1 -26 -8  19 o 41.270  2.1233  236.452   23.231    214.805   32.738    258.409   32.972    39.292  3.1368  43.248  2.8625  -3.955944      4.246585 
1 1 1 -26 -8  20 o 42.788  2.1134  254.072   24.061    261.824   34.097    246.383   33.957    43.462  2.9464  42.114  3.0306  1.347580       4.226759 
1 1 1 -26 -8  21 o 40.234  2.1679  225.665   23.124    245.559   32.973    206.412   32.439    42.048  2.9463  38.420  3.1808  3.627911       4.335726 
1 1 1 -26 -8  22 o 12.938  2.9169  21.890    12.605    5.8372    18.002    37.331    17.655    10.001  4.1328  15.875  4.1174  -5.873834      5.833739 
1 1 1 -26 -8  23 o 9.8440  2.8625  4.4492    12.414    -3.0593   17.031    12.961    18.133    8.5955  3.7905  11.093  4.2906  -2.497166      5.725079 
1 1 1 -26 -8  24 o 19.062  3.1066  54.741    15.596    62.768    22.153    46.851    21.961    20.559  4.1656  17.564  4.6099  2.994507       6.213176 
1 1 1 -26 -8  25 o 32.793  2.3114  160.135   18.420    127.782   30.510    178.691   23.106    29.622  3.9433  35.963  2.4127  -6.341293      4.622842 
1 1 1 -26 -8  26 o 27.084  2.6324  114.940   16.443    82.816    28.018    131.814   20.307    23.349  4.6435  30.819  2.4811  -7.469606      5.264736 
1 1 1 -26 -8  27 o 19.554  2.8205  54.068    13.521    66.259    24.107    48.474    16.331    20.894  4.4443  18.215  3.4742  2.679119       5.641060 
1 1 1 -26 -8  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -8  29 f 21.875  3.0388  73.047    16.016    69.789    28.569    74.541    19.341    21.003  5.1239  22.747  3.2684  -1.743780      6.077566 
1 1 1 -26 -8  30 o 21.009  3.1011  65.487    15.949    73.483    28.402    61.804    19.275    21.555  5.0139  20.463  3.6506  1.092043       6.202102 
1 1 1 -26 -8  31 o 8.0059  2.5423  -3.7555   10.912    -21.4297  21.682    2.2396    12.628    7.9678  3.7791  8.0440  3.4017  -0.7622576E-01 5.084631 
1 1 1 -26 -8  32 o 42.465  2.4192  261.565   25.925    263.403   43.796    260.574   32.165    42.048  3.9344  42.882  2.8160  -0.8345413     4.838383 
1 1 1 -26 -8  33 o 16.697  3.4007  43.125    15.106    52.814    27.403    38.896    18.106    17.678  5.3384  15.717  4.2144  1.961401       6.801462 
1 1 1 -26 -7  1  o 29.687  1.9896  121.727   15.627    119.073   22.151    124.357   22.049    29.349  2.8538  30.025  2.7730  -0.6754589     3.979204 
1 1 1 -26 -7  2  o 34.189  1.9701  160.968   17.861    170.015   25.280    151.953   25.237    35.181  2.7035  33.196  2.8664  1.984482       3.940189 
1 1 1 -26 -7  3  f 44.308  1.9379  269.253   22.867    257.549   32.362    280.923   32.316    43.319  2.8042  45.297  2.6754  -1.978516      3.875749 
1 1 1 -26 -7  4  o 44.064  1.9326  266.180   22.679    258.850   32.401    273.220   31.754    43.443  2.7994  44.685  2.6652  -1.242714      3.865242 
1 1 1 -26 -7  5  o 22.849  2.1417  72.569    12.764    74.582    18.684    70.807    17.479    23.133  3.0928  22.566  2.9634  0.5667324      4.283412 
1 1 1 -26 -7  6  o 4.5758  1.5574  -10.2460  5.1987    -11.9202  9.1165    -9.4393   6.3285    5.0628  2.4152  4.0887  1.9668  0.9740787      3.114734 
1 1 1 -26 -7  7  o 66.204  2.0903  599.017   37.041    611.805   53.566    587.298   51.278    66.865  2.9909  65.544  2.9208  1.320534       4.180532 
1 1 1 -26 -7  8  o 27.859  2.0577  107.392   15.063    103.853   22.072    110.476   20.607    27.380  3.0622  28.338  2.7495  -0.9577293     4.115414 
1 1 1 -26 -7  9  o 22.620  2.2408  72.623    12.935    60.334    18.917    83.415    17.726    20.648  3.5483  24.592  2.7376  -3.944401      4.481618 
1 1 1 -26 -7  10 o 47.516  2.0414  310.536   25.763    288.024   36.977    331.772   35.915    45.774  3.0331  49.258  2.7329  -3.483154      4.082725 
1 1 1 -26 -7  11 f 56.836  2.0954  442.904   31.784    449.444   45.429    436.633   44.485    57.244  2.9732  56.429  2.9535  0.8150749      4.190787 
1 1 1 -26 -7  12 o 46.826  2.0443  301.370   25.447    278.611   36.114    323.816   35.864    45.013  3.0127  48.640  2.7642  -3.626213      4.088684 
1 1 1 -26 -7  13 o 9.8828  2.5517  10.320    9.0047    16.340    13.133    4.9793    12.370    11.138  3.7348  8.6275  3.4777  2.510510       5.103308 
1 1 1 -26 -7  14 o 46.670  2.0619  299.203   25.645    297.223   36.246    301.187   36.289    46.511  2.9243  46.828  2.9076  -0.3169556     4.123779 
1 1 1 -26 -7  15 o 38.395  2.0385  203.085   20.771    216.325   29.359    189.816   29.391    39.692  2.7791  37.097  2.9831  2.594040       4.077073 
1 1 1 -26 -7  16 o 21.590  2.4353  65.977    13.576    60.280    19.127    71.761    19.272    20.579  3.6012  22.601  3.2794  -2.021156      4.870609 
1 1 1 -26 -7  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -7  18 o 29.393  3.1384  120.368   24.327    120.368   24.327    0.0000    0.0000    29.393  3.1384  ?       ?       ?              ?        
1 1 1 -26 -7  19 o 32.118  2.2366  144.618   18.688    172.657   26.636    117.435   26.226    35.351  2.8370  28.886  3.4584  6.464869       4.473130 
1 1 1 -26 -7  20 o 45.132  2.1107  282.101   25.367    276.374   35.896    287.815   35.852    44.655  3.0188  45.608  2.9506  -0.9528427     4.221301 
1 1 1 -26 -7  21 o 54.419  2.1619  411.008   31.377    423.614   44.535    398.583   44.214    55.274  3.0196  53.565  3.0949  1.708557       4.323890 
1 1 1 -26 -7  22 o 29.661  2.0170  117.576   15.391    143.950   25.688    102.805   19.224    32.104  3.0229  27.219  2.6712  4.885031       4.034029 
1 1 1 -26 -7  23 o 18.707  2.5225  48.645    11.706    58.187    20.112    43.756    14.396    19.940  3.9054  17.473  3.1936  2.466967       5.044956 
1 1 1 -26 -7  24 o 32.897  2.3437  163.446   18.501    119.866   30.233    189.532   23.391    28.693  4.0462  37.100  2.3662  -8.407427      4.687322 
1 1 1 -26 -7  25 o 14.978  2.7085  36.895    11.579    14.666    20.185    47.798    14.136    11.645  4.5205  18.312  2.9850  -6.666928      5.417095 
1 1 1 -26 -7  26 o 20.939  2.8831  75.681    14.533    37.733    25.050    94.933    17.842    15.790  5.1530  26.088  2.5875  -10.29819      5.766135 
1 1 1 -26 -7  27 o 14.669  2.9551  27.018    11.825    50.163    21.525    17.013    14.152    18.128  4.4629  11.210  3.8746  6.918520       5.910143 
1 1 1 -26 -7  28 o 22.610  3.1848  73.287    18.753    0.0000    0.0000    73.287    18.753    ?       ?       22.610  3.1848  ?              ?        
1 1 1 -26 -7  29 o 22.940  3.1702  79.228    18.671    88.471    28.389    72.183    24.785    24.084  4.5680  21.797  4.3970  2.286976       6.340318 
1 1 1 -26 -7  30 o 19.263  3.0886  53.062    14.735    69.461    26.462    45.693    17.739    21.092  4.7929  17.434  3.8968  3.657511       6.177111 
1 1 1 -26 -7  31 o 24.590  2.9292  89.246    17.202    96.086    31.256    86.274    20.602    24.739  4.8903  24.441  3.2259  0.2981911      5.858453 
1 1 1 -26 -7  32 o 17.742  3.3391  47.210    15.058    58.679    27.957    42.524    17.872    18.857  5.3097  16.628  4.0502  2.228600       6.678150 
1 1 1 -26 -7  33 o 40.646  2.3879  229.309   24.724    285.863   42.819    201.023   30.282    43.928  3.6729  37.363  3.0525  6.564968       4.775759 
1 1 1 -26 -7  34 o 10.010  2.8830  8.9560    12.685    -12.2046  24.263    16.915    14.881    9.0396  4.1933  10.981  3.9575  -1.941752      5.765941 
1 1 1 -26 -6  1  o 11.815  2.3220  20.019    7.6932    16.028    11.554    23.197    10.312    10.873  3.4955  12.758  3.0576  -1.884532      4.644083 
1 1 1 -26 -6  2  o 22.138  2.1300  68.395    12.223    77.062    17.426    60.001    17.149    23.597  2.8125  20.678  3.1996  2.918905       4.259996 
1 1 1 -26 -6  3  o 48.960  1.9401  327.795   25.333    331.493   36.302    324.285   35.369    49.222  2.7647  48.698  2.7225  0.5239410      3.880160 
1 1 1 -26 -6  4  o 57.065  1.9814  443.886   30.274    457.178   43.571    431.480   42.093    57.887  2.8102  56.243  2.7942  1.644581       3.962897 
1 1 1 -26 -6  5  f 10.746  2.4251  15.052    7.9012    19.916    12.043    11.375    10.469    11.921  3.5253  9.5716  3.3312  2.349754       4.850218 
1 1 1 -26 -6  6  o 20.887  2.1048  60.400    11.403    67.405    16.783    54.394    15.541    22.042  2.9141  19.732  3.0380  2.310055       4.209654 
1 1 1 -26 -6  7  o 27.213  2.0567  103.258   14.557    89.680    21.184    115.405   20.037    25.404  3.1832  29.022  2.6054  -3.618025      4.113443 
1 1 1 -26 -6  8  o 7.2352  2.1015  1.7003    6.8093    -4.8337   10.607    6.2811    8.8810    6.4992  2.9204  7.9712  3.0227  -1.471950      4.202960 
1 1 1 -26 -6  9  o 28.869  2.0232  114.480   15.422    120.134   22.432    109.414   21.236    29.547  2.8707  28.191  2.8517  1.356174       4.046339 
1 1 1 -26 -6  10 o 29.872  2.0327  122.549   16.042    131.076   23.226    114.771   22.182    30.881  2.8398  28.862  2.9090  2.019297       4.065342 
1 1 1 -26 -6  11 o 44.852  2.0255  275.554   24.199    273.806   34.575    277.232   33.879    44.699  2.9037  45.006  2.8248  -0.3071213     4.050999 
1 1 1 -26 -6  12 o 28.826  2.0700  114.542   15.758    117.212   22.551    111.994   22.029    29.158  2.9270  28.495  2.9280  0.6630917      4.140067 
1 1 1 -26 -6  13 o 28.739  2.1159  114.168   16.028    120.175   22.680    108.174   22.654    29.527  2.9053  27.951  3.0770  1.576551       4.231874 
1 1 1 -26 -6  14 o 53.066  2.0542  387.103   28.946    431.507   40.790    342.060   41.082    56.261  2.7068  49.870  3.0908  6.390934       4.108488 
1 1 1 -26 -6  15 o 14.955  2.7364  32.259    11.150    26.329    15.807    38.131    15.730    13.621  4.0412  16.290  3.6906  -2.669151      5.472854 
1 1 1 -26 -6  16 o 17.407  2.6157  43.797    11.826    37.486    16.986    49.735    16.475    16.094  3.9661  18.720  3.4115  -2.625980      5.231442 
1 1 1 -26 -6  17 o 30.626  2.1373  130.117   17.217    115.999   24.205    144.574   24.493    28.872  3.1829  32.379  2.8533  -3.507259      4.274585 
1 1 1 -26 -6  18 o 19.570  4.1520  55.643    21.089    0.0000    0.0000    55.643    21.089    ?       ?       19.570  4.1520  ?              ?        
1 1 1 -26 -6  19 o 42.047  4.2982  252.169   47.726    252.169   47.726    0.0000    0.0000    42.047  4.2982  ?       ?       ?              ?        
1 1 1 -26 -6  20 o 41.144  2.0190  241.531   21.107    200.900   33.371    268.624   27.250    37.935  3.3176  44.352  2.3017  -6.417446      4.037902 
1 1 1 -26 -6  21 o 21.397  2.2940  59.386    12.151    94.391    20.589    40.677    15.053    25.989  3.0137  16.806  3.4593  9.183393       4.587906 
1 1 1 -26 -6  22 o 15.134  2.7430  34.258    10.875    29.588    18.731    36.632    13.356    14.295  4.4323  15.973  3.2328  -1.677434      5.485978 
1 1 1 -26 -6  23 o 14.322  2.7552  27.190    10.476    41.206    18.345    20.409    12.761    16.677  4.1288  11.968  3.6494  4.708979       5.510440 
1 1 1 -26 -6  24 o 18.001  2.8045  48.018    12.508    46.623    21.947    48.690    15.223    17.562  4.6079  18.440  3.1982  -0.8776360     5.608999 
1 1 1 -26 -6  25 o 37.555  2.2321  205.766   20.908    172.670   34.075    225.749   26.478    34.670  3.7279  40.439  2.4561  -5.768768      4.464278 
1 1 1 -26 -6  26 o 36.969  2.2338  193.289   20.973    191.666   34.831    194.212   26.269    36.563  3.6035  37.375  2.6410  -0.8127441     4.467657 
1 1 1 -26 -6  27 o 15.992  3.0706  39.873    13.195    32.707    23.295    43.258    16.010    14.843  4.9742  17.141  3.6016  -2.298214      6.141191 
1 1 1 -26 -6  28 o 10.865  2.9945  10.990    11.636    19.152    21.532    7.6226    13.830    12.437  4.7088  9.2930  3.7008  3.143602       5.989035 
1 1 1 -26 -6  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -6  30 o 17.504  3.0680  53.325    14.978    22.581    26.963    67.044    18.012    13.453  5.2241  21.555  3.2185  -8.101389      6.135946 
1 1 1 -26 -6  31 o 29.497  2.8453  133.577   19.875    117.046   34.583    141.731   24.287    27.376  4.8961  31.618  2.9001  -4.241917      5.690532 
1 1 1 -26 -6  32 o 13.674  3.2956  21.412    13.714    47.375    26.050    11.457    16.131    17.055  5.2169  10.292  4.0284  6.763142       6.591180 
1 1 1 -26 -6  33 o 20.507  3.3466  72.228    17.443    53.093    30.878    81.195    21.138    17.599  5.7200  23.415  3.4759  -5.816504      6.693243 
1 1 1 -26 -6  34 o 10.422  3.0719  4.9154    12.930    22.410    24.919    -1.5299   15.125    12.788  5.0064  8.0556  3.5612  4.732230       6.143814 
1 1 1 -26 -5  1  o 36.110  1.8975  178.783   18.197    169.624   25.838    187.796   25.631    35.162  2.7658  37.059  2.5986  -1.896420      3.795072 
1 1 1 -26 -5  2  o 23.067  2.0336  73.511    12.272    79.011    17.818    68.546    16.928    23.907  2.8379  22.226  2.9136  1.681055       4.067265 
1 1 1 -26 -5  3  o 55.063  1.9520  413.573   28.718    413.307   41.357    413.820   39.909    54.992  2.8172  55.133  2.7025  -0.1407013     3.903904 
1 1 1 -26 -5  4  o 29.928  1.9269  123.445   15.193    114.540   22.045    131.500   20.967    28.843  2.8924  31.014  2.5465  -2.170874      3.853714 
1 1 1 -26 -5  5  o 31.933  1.9087  139.338   16.153    147.888   23.484    131.661   22.253    32.869  2.6910  30.997  2.7074  1.872095       3.817305 
1 1 1 -26 -5  6  o 30.102  1.9228  124.461   15.295    120.055   22.167    128.465   21.131    29.559  2.8345  30.646  2.5989  -1.086666      3.845607 
1 1 1 -26 -5  7  o 34.737  1.9372  165.564   17.821    157.860   25.814    172.581   24.633    33.923  2.8678  35.551  2.6050  -1.628254      3.874340 
1 1 1 -26 -5  8  o 25.425  2.0284  88.683    13.488    102.158   19.789    76.991    18.434    27.271  2.7466  23.579  2.9857  3.692137       4.056832 
1 1 1 -26 -5  9  o 69.915  2.1725  667.259   40.642    710.644   58.262    626.137   56.722    72.153  3.0147  67.678  3.1291  4.475212       4.345032 
1 1 1 -26 -5  10 o 42.490  1.9934  246.852   22.555    249.896   32.232    243.931   31.573    42.744  2.8313  42.236  2.8068  0.5076370      3.986820 
1 1 1 -26 -5  11 o 49.516  2.0183  335.237   26.636    350.593   37.812    320.111   37.529    50.665  2.7972  48.366  2.9105  2.298344       4.036697 
1 1 1 -26 -5  12 o 16.063  2.5006  37.042    10.495    30.978    14.993    42.867    14.694    14.704  3.7846  17.421  3.2692  -2.716701      5.001101 
1 1 1 -26 -5  13 o 10.608  2.5076  13.433    8.9866    4.2553    12.770    22.439    12.649    8.6191  3.5120  12.596  3.5802  -3.976892      5.015160 
1 1 1 -26 -5  14 o 21.105  2.3227  62.717    12.636    55.848    17.956    69.457    17.786    19.870  3.5018  22.340  3.0523  -2.469976      4.645329 
1 1 1 -26 -5  15 o 32.499  2.0571  145.412   17.717    146.470   25.073    144.357   25.037    32.621  2.8998  32.378  2.9184  0.2435188      4.114137 
1 1 1 -26 -5  16 o 17.911  2.5662  46.571    11.912    31.262    16.781    62.120    16.912    14.742  4.1006  21.080  3.0867  -6.338118      5.132498 
1 1 1 -26 -5  17 o 28.607  1.8897  109.714   13.984    125.783   22.859    100.104   17.678    30.197  2.8602  27.017  2.4703  3.180490       3.779310 
1 1 1 -26 -5  18 o 17.474  2.4643  50.693    10.668    22.935    17.905    65.972    13.284    13.027  4.3609  21.921  2.2965  -8.894016      4.928630 
1 1 1 -26 -5  19 o 38.397  3.4576  205.823   35.178    0.0000    0.0000    205.823   35.178    ?       ?       38.397  3.4576  ?              ?        
1 1 1 -26 -5  20 o 32.208  2.3875  148.531   19.643    178.253   27.049    115.363   28.573    35.933  2.8333  28.482  3.8436  7.451464       4.775060 
1 1 1 -26 -5  21 o 38.978  1.9550  207.524   19.815    219.319   31.915    200.125   25.278    39.766  3.0189  38.190  2.4847  1.575104       3.909920 
1 1 1 -26 -5  22 o 18.695  2.7005  56.285    12.501    33.645    21.054    68.613    15.536    15.182  4.6977  22.209  2.6649  -7.026628      5.400914 
1 1 1 -26 -5  23 o 6.5632  2.0973  -4.1234   7.3724    -9.5811   13.655    -1.8779   8.7586    6.9084  3.1838  6.2180  2.7309  0.6903305      4.194611 
1 1 1 -26 -5  24 o 11.154  2.7637  16.409    10.639    3.3361    18.961    22.417    12.853    9.8548  4.1680  12.453  3.6304  -2.598020      5.527428 
1 1 1 -26 -5  25 o 8.0835  2.5079  -1.5540   9.5703    -0.0742   17.614    -2.1738   11.400    9.0877  3.9334  7.0794  3.1122  2.008336       5.015759 
1 1 1 -26 -5  26 o 13.163  2.9995  19.823    11.889    41.238    21.254    10.070    14.342    16.453  4.6284  9.8731  3.8167  6.580054       5.999098 
1 1 1 -26 -5  27 o 32.061  2.4462  147.018   19.522    147.913   33.353    146.552   24.078    31.786  4.0066  32.337  2.8078  -0.5516186     4.892467 
1 1 1 -26 -5  28 o 10.725  2.8161  6.8389    10.515    29.132    19.944    -1.7434   12.374    14.033  4.5987  7.4162  3.2518  6.616799       5.632282 
1 1 1 -26 -5  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -5  30 o 31.668  2.5815  145.531   20.045    146.513   34.961    145.050   24.466    31.285  4.2848  32.051  2.8807  -0.7664013     5.163090 
1 1 1 -26 -5  31 o 24.881  3.0974  100.785   17.940    76.777    31.636    112.166   21.781    21.679  5.4532  28.083  2.9392  -6.403845      6.194850 
1 1 1 -26 -5  32 o 13.141  3.2506  21.198    13.118    38.363    24.702    14.456    15.482    15.549  5.1190  10.733  4.0077  4.816217       6.501228 
1 1 1 -26 -5  33 o 20.881  3.3179  76.106    17.437    51.582    31.210    87.234    21.025    17.367  5.7558  24.396  3.3024  -7.029270      6.635891 
1 1 1 -26 -5  34 o 46.866  2.4431  312.730   29.334    370.698   49.971    282.252   36.234    49.628  3.7879  44.104  3.0867  5.523563       4.886291 
1 1 1 -26 -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -4  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -4  7  o 37.571  2.7619  192.934   27.599    192.934   27.599    0.0000    0.0000    37.571  2.7619  ?       ?       ?              ?        
1 1 1 -26 -4  8  o 14.470  2.3454  29.571    8.8976    33.724    13.071    25.985    12.146    15.425  3.2654  13.515  3.3675  1.910121       4.690733 
1 1 1 -26 -4  9  o 41.619  1.9819  236.494   21.957    243.990   31.550    229.453   30.576    42.260  2.8031  40.977  2.8026  1.283596       3.963878 
1 1 1 -26 -4  10 o 40.399  1.9970  223.083   21.459    233.915   30.641    212.656   30.063    41.379  2.7808  39.420  2.8669  1.958405       3.993982 
1 1 1 -26 -4  11 o 43.453  2.0007  258.074   23.159    260.665   32.901    255.529   32.604    43.671  2.8279  43.236  2.8310  0.4351768      4.001412 
1 1 1 -26 -4  12 o 43.401  1.9809  257.560   22.893    265.096   32.268    249.923   32.484    44.060  2.7480  42.743  2.8538  1.316940       3.961723 
1 1 1 -26 -4  13 o 22.692  2.2014  72.032    12.893    61.562    18.262    82.436    18.204    20.940  3.3703  24.444  2.8329  -3.503788      4.402786 
1 1 1 -26 -4  14 o 22.394  2.0323  70.520    11.386    65.347    18.555    73.644    14.420    21.596  3.3137  23.192  2.3540  -1.596340      4.064674 
1 1 1 -26 -4  15 o 33.060  2.0166  158.761   16.505    117.464   25.991    186.669   21.366    29.046  3.4054  37.073  2.1611  -8.026875      4.033278 
1 1 1 -26 -4  16 o 46.701  1.8518  299.773   22.648    284.601   35.117    310.576   29.634    45.553  2.8932  47.848  2.3123  -2.294548      3.703641 
1 1 1 -26 -4  17 o 26.943  1.9834  100.905   13.592    97.116    22.061    103.223   17.256    26.416  3.1821  27.470  2.3684  -1.054209      3.966758 
1 1 1 -26 -4  18 o 23.282  2.1703  76.947    12.504    70.857    20.732    80.430    15.677    22.370  3.5809  24.194  2.4530  -1.823673      4.340536 
1 1 1 -26 -4  19 f 27.372  1.9949  100.444   14.113    119.314   23.006    89.058    17.871    29.344  2.9679  25.401  2.6665  3.943367       3.989823 
1 1 1 -26 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -4  21 o 52.979  2.0022  389.150   27.668    371.876   43.492    400.894   35.860    51.780  3.1509  54.178  2.4712  -2.397552      4.004318 
1 1 1 -26 -4  22 o 26.430  2.2469  94.380    15.029    112.034   25.594    85.089    18.567    28.154  3.4672  24.706  2.8587  3.447882       4.493742 
1 1 1 -26 -4  23 o 29.687  2.4671  133.084   17.349    100.567   29.046    151.120   21.632    26.242  4.2800  33.132  2.4551  -6.890486      4.934109 
1 1 1 -26 -4  24 o 11.497  2.9942  15.739    11.514    17.105    20.560    15.115    13.897    12.144  4.6005  10.850  3.8335  1.294312       5.988388 
1 1 1 -26 -4  25 o 10.527  2.7078  13.595    10.233    2.6252    17.738    19.067    12.529    9.4653  4.0188  11.590  3.6300  -2.124274      5.415523 
1 1 1 -26 -4  26 o 9.9307  2.6208  -0.6995   9.9147    28.371    18.536    -12.3491  11.734    13.903  4.4232  5.9584  2.8123  7.944702       5.241528 
1 1 1 -26 -4  27 f 9.6275  2.7928  6.9202    10.687    3.9518    20.361    8.0489    12.555    10.144  4.3062  9.1113  3.5574  1.032495       5.585571 
1 1 1 -26 -4  28 o 5.8761  2.0287  -15.1195  7.4385    -13.6774  16.864    -15.4679  8.2883    7.4003  3.4540  4.3519  2.1291  3.048396       4.057463 
1 1 1 -26 -4  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -4  30 o 31.825  2.4790  141.098   19.922    165.962   34.301    128.442   24.473    33.621  3.8802  30.030  3.0865  3.591074       4.958053 
1 1 1 -26 -4  31 o 27.275  2.8957  111.670   19.030    109.985   33.297    112.487   23.190    26.545  4.8624  28.005  3.1460  -1.460144      5.791378 
1 1 1 -26 -4  32 o 27.792  2.8654  114.508   19.441    121.222   33.948    111.231   23.714    27.873  4.7152  27.711  3.2571  0.1624203      5.730786 
1 1 1 -26 -4  33 o 33.526  2.5694  157.028   21.620    199.078   38.214    137.231   26.220    36.336  3.9922  30.716  3.2357  5.620077       5.138826 
1 1 1 -26 -4  34 o 17.270  3.3212  43.926    14.883    66.504    27.213    34.291    17.777    19.872  5.0901  14.668  4.2676  5.203796       6.642390 
1 1 1 -26 -3  1  o 31.516  1.8148  135.498   15.171    141.333   22.081    130.281   20.879    32.157  2.5855  30.875  2.5475  1.281769       3.629694 
1 1 1 -26 -3  2  o 23.256  1.9058  74.409    11.639    75.521    16.910    73.409    16.043    23.411  2.7491  23.102  2.6402  0.3088093      3.811581 
1 1 1 -26 -3  3  o 33.946  1.8386  157.076   16.574    166.312   23.946    148.583   22.962    34.913  2.5789  32.979  2.6211  1.933704       3.677105 
1 1 1 -26 -3  4  o 9.9022  2.0729  13.214    6.4160    4.9288    9.4679    20.250    8.7247    7.8333  3.0801  11.971  2.7751  -4.137650      4.145900 
1 1 1 -26 -3  5  o 39.649  1.8781  214.192   19.821    222.774   28.473    206.124   27.608    40.425  2.6442  38.873  2.6677  1.552700       3.756109 
1 1 1 -26 -3  6  o 30.295  1.8913  125.455   15.182    128.400   21.906    122.734   21.059    30.634  2.6973  29.956  2.6520  0.6780872      3.782640 
1 1 1 -26 -3  7  o 27.587  1.9293  104.622   14.023    99.676    20.296    109.140   19.398    26.925  2.8579  28.250  2.5925  -1.324579      3.858606 
1 1 1 -26 -3  8  o 67.319  2.6953  614.370   44.875    654.502   81.229    596.742   53.835    68.476  4.4530  66.163  3.0378  2.313065       5.390534 
1 1 1 -26 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -3  10 o 33.419  1.8094  152.258   15.734    152.807   24.915    151.894   20.293    33.407  2.8105  33.432  2.2798  -0.2447891E-01 3.618860 
1 1 1 -26 -3  11 o 14.288  2.2144  28.710    7.9571    29.373    13.407    28.349    9.8867    14.355  3.5151  14.220  2.6943  0.1342640      4.428885 
1 1 1 -26 -3  12 o 9.7008  2.2443  10.993    6.5456    17.729    11.218    7.5153    8.0600    11.316  3.4152  8.0851  2.9127  3.231234       4.488572 
1 1 1 -26 -3  13 o 43.453  1.8564  260.283   21.069    241.202   32.506    274.105   27.667    41.972  2.9094  44.933  2.3066  -2.961174      3.712785 
1 1 1 -26 -3  14 o 44.379  1.8194  267.874   21.257    271.733   32.877    265.102   27.865    44.595  2.7661  44.164  2.3642  0.4308014      3.638813 
1 1 1 -26 -3  15 o 49.940  1.8223  335.251   24.084    375.140   37.160    306.359   31.625    52.447  2.6539  47.433  2.4980  5.014244       3.644607 
1 1 1 -26 -3  16 o 47.199  1.8466  302.345   22.968    314.537   35.650    293.693   30.031    47.949  2.7879  46.449  2.4222  1.500103       3.693164 
1 1 1 -26 -3  17 o 25.104  2.0925  90.072    13.027    77.460    21.195    97.729    16.515    23.470  3.4767  26.737  2.3294  -3.266821      4.184926 
1 1 1 -26 -3  18 o 14.272  2.4262  24.947    9.3529    48.272    16.017    12.878    11.521    18.449  3.3654  10.096  3.4957  8.352683       4.852344 
1 1 1 -26 -3  19 o 23.930  2.2525  80.214    13.504    79.666    22.332    80.530    16.956    23.715  3.6313  24.145  2.6662  -0.4301510     4.505044 
1 1 1 -26 -3  20 o 57.437  3.6977  461.480   56.584    0.0000    0.0000    461.480   56.584    ?       ?       57.437  3.6977  ?              ?        
1 1 1 -26 -3  21 o 23.123  2.8094  77.274    16.454    103.706   24.006    53.853    22.597    27.152  3.3736  19.093  4.4934  8.059011       5.618845 
1 1 1 -26 -3  22 o 46.657  2.0578  302.836   24.841    293.372   39.803    308.874   31.794    45.866  3.2611  47.449  2.5106  -1.582493      4.115586 
1 1 1 -26 -3  23 o 13.497  2.8469  22.675    10.552    38.450    19.279    15.928    12.608    16.101  4.3621  10.893  3.6594  5.207470       5.693791 
1 1 1 -26 -3  24 o 23.291  2.5147  76.262    14.455    82.903    24.920    72.895    17.745    23.833  4.0486  22.750  2.9841  1.082336       5.029474 
1 1 1 -26 -3  25 o 7.7503  2.2823  0.1258    8.7377    -21.6763  16.163    9.1284    10.386    6.5888  3.1627  8.9117  3.2914  -2.322954      4.564641 
1 1 1 -26 -3  26 o 8.3388  2.4405  1.7242    9.7032    -19.3216  17.822    10.591    11.568    7.2224  3.4258  9.4552  3.4768  -2.232773      4.880970 
1 1 1 -26 -3  27 o 24.748  2.5254  82.488    15.623    113.977   27.058    66.739    19.136    28.030  3.6940  21.467  3.4445  6.562809       5.050755 
1 1 1 -26 -3  28 o 37.857  2.4733  212.774   23.195    180.729   38.115    231.622   29.231    34.988  4.1479  40.726  2.6949  -5.738598      4.946518 
1 1 1 -26 -3  29 o 32.757  2.9081  151.474   25.250    0.0000    0.0000    151.474   25.250    ?       ?       32.757  2.9081  ?              ?        
1 1 1 -26 -3  30 o 36.606  2.4415  190.931   22.714    201.111   38.024    185.284   28.322    37.016  3.8936  36.197  2.9467  0.8182144      4.882952 
1 1 1 -26 -3  31 o 18.859  3.3410  53.007    15.899    65.580    28.626    47.398    19.120    20.112  5.2557  17.607  4.1263  2.504992       6.681984 
1 1 1 -26 -3  32 o 17.097  3.3927  42.561    15.270    61.168    27.667    34.411    18.311    19.310  5.2232  14.885  4.3314  4.424821       6.785486 
1 1 1 -26 -3  33 o 20.867  3.3062  72.209    17.148    61.663    30.401    77.129    20.767    18.957  5.5996  22.778  3.5170  -3.821373      6.612452 
1 1 1 -26 -3  34 o 10.292  2.8448  -5.9567   11.646    36.035    23.107    -20.2565  13.484    14.816  4.9541  5.7683  2.7981  9.047599       5.689688 
1 1 1 -26 -2  1  o 33.342  1.8048  151.865   15.968    148.863   23.115    154.605   22.084    33.004  2.6369  33.680  2.4651  -0.6762276     3.609694 
1 1 1 -26 -2  2  o 50.586  1.9110  348.404   25.789    358.841   37.068    338.613   35.902    51.320  2.7062  49.851  2.6988  1.468929       3.821942 
1 1 1 -26 -2  3  o 20.874  1.8931  60.225    10.312    57.503    14.870    62.747    14.313    20.385  2.7972  21.364  2.5518  -0.9792404     3.786286 
1 1 1 -26 -2  4  o 28.300  1.8425  109.500   13.805    111.160   19.832    107.939   19.230    28.505  2.6270  28.095  2.5843  0.4098740      3.685094 
1 1 1 -26 -2  5  o 22.277  1.8809  68.211    10.994    71.527    15.794    65.094    15.313    22.815  2.6328  21.740  2.6870  1.075390       3.761883 
1 1 1 -26 -2  6  o 47.822  1.7925  308.773   22.620    324.224   35.045    297.739   29.615    48.799  2.6916  46.845  2.3679  1.953873       3.584941 
1 1 1 -26 -2  7  o 31.590  1.7578  136.160   14.415    135.270   22.885    136.746   18.560    31.444  2.7447  31.736  2.1969  -0.2919655     3.515647 
1 1 1 -26 -2  8  o 54.202  1.8783  395.779   26.916    421.430   41.772    377.569   35.197    55.614  2.8134  52.789  2.4892  2.825214       3.756517 
1 1 1 -26 -2  9  o 59.828  1.9309  481.936   30.671    517.069   47.183    456.227   40.362    61.660  2.8569  57.996  2.5983  3.664650       3.861712 
1 1 1 -26 -2  10 o 45.475  2.4405  287.817   25.404    278.479   50.337    291.009   29.427    44.647  4.2610  46.304  2.3807  -1.657410      4.881005 
1 1 1 -26 -2  11 o 29.206  3.9848  119.716   30.358    119.716   30.358    0.0000    0.0000    29.206  3.9848  ?       ?       ?              ?        
1 1 1 -26 -2  12 o 25.269  1.8618  87.864    12.125    86.254    19.173    88.938    15.653    25.006  2.9174  25.532  2.3140  -0.5265312     3.723687 
1 1 1 -26 -2  13 o 68.028  2.0259  635.327   36.494    589.823   54.691    671.851   48.998    65.715  3.1071  70.341  2.6006  -4.625954      4.051857 
1 1 1 -26 -2  14 o 13.561  2.1777  22.393    8.2431    46.742    13.591    8.2218    10.368    18.316  2.8641  8.8054  3.2813  9.510425       4.355450 
1 1 1 -26 -2  15 o 50.609  1.8537  348.157   24.778    352.542   38.137    344.954   32.596    50.790  2.8143  50.428  2.4133  0.3620529      3.707320 
1 1 1 -26 -2  16 o 16.882  2.2539  38.014    9.5539    50.761    16.015    30.971    11.904    18.986  3.2671  14.778  3.1060  4.207418       4.507867 
1 1 1 -26 -2  17 o 31.190  1.9095  133.632   15.346    133.107   24.727    133.961   19.571    31.048  3.0112  31.332  2.3491  -0.2837944     3.819087 
1 1 1 -26 -2  18 o 55.544  1.9428  422.151   28.428    419.721   43.962    423.898   37.268    55.275  2.9803  55.813  2.4930  -0.5377197     3.885526 
1 1 1 -26 -2  19 o 60.817  2.0727  516.930   32.819    458.822   50.661    558.950   43.081    57.587  3.2982  64.048  2.5113  -6.461132      4.145411 
1 1 1 -26 -2  20 o 37.394  2.0283  192.788   19.550    193.119   31.698    192.585   24.837    37.286  3.2050  37.502  2.4868  -0.2154388     4.056636 
1 1 1 -26 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -2  22 o 37.461  2.0416  184.621   19.791    243.792   32.754    150.595   24.838    41.956  2.9331  32.967  2.8406  8.988941       4.083127 
1 1 1 -26 -2  23 o 30.579  2.2082  123.730   17.260    162.077   29.258    103.263   21.375    33.986  3.2539  27.172  2.9862  6.813471       4.416488 
1 1 1 -26 -2  24 o 36.188  2.1145  176.822   19.822    210.705   32.656    157.055   24.943    38.766  3.1729  33.610  2.7961  5.155880       4.229087 
1 1 1 -26 -2  25 o 18.944  2.8856  59.049    13.782    34.965    23.610    71.498    16.974    15.355  5.0022  22.533  2.8781  -7.178823      5.771129 
1 1 1 -26 -2  26 o 13.146  2.7846  26.573    12.216    0.0849    21.622    38.993    14.805    9.9747  4.3376  16.317  3.4930  -6.342228      5.569229 
1 1 1 -26 -2  27 o 40.547  2.2901  234.574   23.687    227.559   38.810    238.738   29.902    39.724  3.6897  41.370  2.7136  -1.645252      4.580123 
1 1 1 -26 -2  28 o 26.025  2.5988  96.391    16.941    107.575   28.633    90.367    21.014    26.924  4.0999  25.126  3.1946  1.797991       5.197551 
1 1 1 -26 -2  29 o 30.691  2.9190  133.208   23.706    0.0000    0.0000    133.208   23.706    ?       ?       30.691  2.9190  ?              ?        
1 1 1 -26 -2  30 o 23.392  3.1841  83.238    19.068    88.504    29.211    79.328    25.170    23.899  4.7309  22.885  4.2631  1.013651       6.368295 
1 1 1 -26 -2  31 o 11.296  3.1091  13.183    12.528    20.800    23.170    10.036    14.893    12.729  4.8689  9.8628  3.8679  2.866011       6.218286 
1 1 1 -26 -2  32 o 8.0621  2.5697  -8.1046   12.454    -36.1217  22.642    4.0482    14.912    7.2688  3.5482  8.8555  3.7181  -1.586652      5.139451 
1 1 1 -26 -2  33 o 14.597  3.3077  35.062    14.757    22.580    27.352    40.187    17.527    13.146  5.2142  16.047  4.0713  -2.901162      6.615368 
1 1 1 -26 -2  34 o 10.688  3.1025  10.418    12.906    16.617    24.754    8.1039    15.125    11.969  4.8848  9.4063  3.8262  2.563163       6.204980 
1 1 1 -26 -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -1  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -1  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -1  4  o 15.642  2.5170  36.139    10.220    27.723    16.245    41.651    13.148    14.018  4.0798  17.265  2.9491  -3.246353      5.034051 
1 1 1 -26 -1  5  o 22.027  1.6991  66.716    9.6116    65.035    15.243    67.825    12.384    21.736  2.6746  22.317  2.0963  -0.5817986     3.398231 
1 1 1 -26 -1  6  o 38.391  1.7241  199.093   17.401    207.757   27.137    193.043   22.677    39.058  2.6090  37.724  2.2546  1.333843       3.448175 
1 1 1 -26 -1  7  o 75.767  2.1288  784.427   42.787    760.231   64.575    803.364   57.127    74.628  3.2306  76.907  2.7732  -2.279266      4.257625 
1 1 1 -26 -1  8  o 43.721  1.8374  260.723   21.019    256.608   32.888    263.564   27.330    43.359  2.8476  44.083  2.3228  -0.7238083     3.674825 
1 1 1 -26 -1  9  o 49.914  1.8771  338.614   24.685    338.372   38.180    338.788   32.358    49.803  2.8743  50.025  2.4149  -0.2211494     3.754162 
1 1 1 -26 -1  10 o 24.372  1.7882  78.885    11.288    94.383    18.250    69.284    14.365    26.250  2.6311  22.495  2.4223  3.754810       3.576320 
1 1 1 -26 -1  11 o 21.331  1.9417  64.885    10.332    53.974    16.273    72.253    13.372    19.644  3.2033  23.019  2.1955  -3.375517      3.883467 
1 1 1 -26 -1  12 o 36.065  3.9647  181.522   37.666    181.522   37.666    0.0000    0.0000    36.065  3.9647  ?       ?       ?              ?        
1 1 1 -26 -1  13 o 71.762  2.0464  704.893   38.990    671.469   58.313    731.917   52.434    70.126  3.1045  73.399  2.6671  -3.273170      4.092863 
1 1 1 -26 -1  14 o 81.466  2.1437  904.148   46.590    926.217   69.392    886.036   62.866    82.310  3.1475  80.623  2.9111  1.686157       4.287381 
1 1 1 -26 -1  15 o 81.800  2.1676  916.046   47.196    900.349   70.423    928.844   63.590    81.064  3.2434  82.535  2.8765  -1.471527      4.335162 
1 1 1 -26 -1  16 o 20.847  2.2830  65.479    11.283    47.250    18.703    75.909    14.147    18.130  3.9621  23.564  2.2695  -5.433306      4.566048 
1 1 1 -26 -1  17 o 27.861  1.9862  105.773   14.164    111.697   23.315    102.308   17.831    28.388  3.1175  27.333  2.4621  1.055521       3.972484 
1 1 1 -26 -1  18 o 50.314  1.9032  340.609   25.211    380.350   39.760    313.889   32.602    52.679  2.8282  47.948  2.5477  4.731384       3.806493 
1 1 1 -26 -1  19 o 34.872  2.2050  179.696   18.689    131.641   30.265    209.314   23.760    30.552  3.7789  39.192  2.2732  -8.639977      4.409930 
1 1 1 -26 -1  20 o 35.663  2.1034  176.760   19.183    172.457   31.328    179.341   24.264    35.154  3.3684  36.172  2.5201  -1.018303      4.206763 
1 1 1 -26 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 -1  22 o 34.863  2.0970  159.653   18.843    218.928   31.089    125.234   23.690    39.742  2.9415  29.984  2.9896  9.757145       4.194025 
1 1 1 -26 -1  23 o 13.234  3.2781  23.738    14.246    27.027    17.724    17.736    23.946    13.719  4.3211  12.750  4.9309  0.9683561      6.556293 
1 1 1 -26 -1  24 o 50.222  2.1274  348.030   27.982    369.677   44.404    333.770   36.039    51.350  3.2451  49.094  2.7517  2.256039       4.254754 
1 1 1 -26 -1  25 o 33.404  2.3741  161.692   19.861    145.543   32.537    171.283   25.075    31.704  3.9147  35.105  2.6872  -3.400824      4.748224 
1 1 1 -26 -1  26 o 14.246  2.9563  31.074    12.045    23.212    20.419    35.270    14.916    13.045  4.6427  15.447  3.6611  -2.402117      5.912606 
1 1 1 -26 -1  27 o 38.891  2.2472  208.177   22.643    242.875   37.216    187.783   28.532    41.250  3.3986  36.531  2.9409  4.719261       4.494357 
1 1 1 -26 -1  28 o 10.411  2.8660  11.800    11.183    3.6358    20.884    15.082    13.241    10.168  4.3400  10.654  3.7442  -0.4857206     5.731906 
1 1 1 -26 -1  29 o 25.165  3.1798  90.855    20.955    0.0000    0.0000    90.855    20.955    ?       ?       25.165  3.1798  ?              ?        
1 1 1 -26 -1  30 o 13.124  3.1894  22.150    12.674    34.687    23.318    16.893    15.100    15.030  4.9748  11.217  3.9925  3.812289       6.378776 
1 1 1 -26 -1  31 o 9.5217  2.8713  -1.0392   12.032    15.574    22.285    -7.8755   14.295    11.855  4.7051  7.1881  3.2923  4.667203       5.742595 
1 1 1 -26 -1  32 f 22.196  3.1945  78.481    17.373    72.465    30.101    81.486    21.274    20.889  5.3549  23.503  3.4850  -2.613888      6.389083 
1 1 1 -26 -1  33 o 33.276  2.6119  157.922   22.038    194.315   37.781    139.154   27.132    35.767  4.0128  30.784  3.3444  4.983698       5.223764 
1 1 1 -26 -1  34 o 21.716  3.3755  83.114    18.175    63.261    32.391    92.236    21.957    18.594  5.8389  24.838  3.3889  -6.244022      6.751081 
1 1 1 -26 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 0   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 0   7  o 48.583  1.8272  321.186   23.377    316.064   36.062    324.899   30.702    48.156  2.8080  49.010  2.3388  -0.8540688     3.654419 
1 1 1 -26 0   8  o 36.399  1.7991  181.585   17.031    174.358   26.774    186.496   22.072    35.716  2.8217  37.082  2.2326  -1.366692      3.598122 
1 1 1 -26 0   9  o 54.626  1.9145  405.044   27.651    409.338   42.411    401.869   36.467    54.787  2.9004  54.465  2.4998  0.3226891      3.828976 
1 1 1 -26 0   10 o 56.261  1.9199  431.993   28.574    417.773   43.208    443.047   38.094    55.336  2.9256  57.186  2.4870  -1.850132      3.839829 
1 1 1 -26 0   11 o 41.634  1.7851  236.532   19.556    231.025   29.950    240.625   25.821    41.154  2.7326  42.115  2.2977  -0.9609070     3.570248 
1 1 1 -26 0   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 0   13 o 23.317  1.9504  77.905    11.243    63.983    18.093    86.662    14.350    21.401  3.2592  25.233  2.1435  -3.831493      3.900880 
1 1 1 -26 0   14 o 129.829 2.8609  2333.68   99.363    2359.81   144.478   2310.24   136.870   130.421 4.1359  129.237 3.9540  1.184280       5.721820 
1 1 1 -26 0   15 o 63.676  1.9925  556.512   33.512    525.086   50.980    580.423   44.469    61.979  3.0709  65.372  2.5397  -3.393650      3.985044 
1 1 1 -26 0   16 o 51.774  1.9126  366.350   26.020    361.248   40.454    369.949   33.981    51.343  2.9541  52.204  2.4302  -0.8614006     3.825255 
1 1 1 -26 0   17 o 38.307  1.9252  201.062   19.125    200.803   30.613    201.227   24.493    38.189  3.0174  38.424  2.3917  -0.2353630     3.850318 
1 1 1 -26 0   18 o 38.986  1.9481  205.731   19.792    222.114   31.833    195.406   25.271    40.161  2.9805  37.811  2.5095  2.350342       3.896272 
1 1 1 -26 0   19 o 20.439  2.5596  61.258    12.735    53.697    21.535    65.325    15.793    19.191  4.2966  21.687  2.7829  -2.496717      5.119101 
1 1 1 -26 0   20 o 28.047  2.1950  108.362   15.670    114.375   25.911    104.895   19.677    28.531  3.4616  27.564  2.6998  0.9665756      4.389928 
1 1 1 -26 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 0   22 o 58.739  2.1522  478.587   33.213    473.091   51.656    482.460   43.364    58.230  3.3258  59.248  2.7325  -1.018429      4.304359 
1 1 1 -26 0   23 o 61.773  2.1558  525.596   35.201    557.821   54.606    502.683   46.045    63.210  3.2361  60.335  2.8492  2.875206       4.311666 
1 1 1 -26 0   24 o 44.583  2.2245  284.870   25.401    249.145   40.075    308.862   32.842    41.875  3.6081  47.291  2.6027  -5.416019      4.448916 
1 1 1 -26 0   25 o 30.301  2.4369  134.244   18.301    119.113   30.109    143.109   23.046    28.551  4.0509  32.051  2.7099  -3.500591      4.873744 
1 1 1 -26 0   26 o 31.204  2.3248  135.811   18.643    151.226   30.566    126.679   23.526    32.429  3.5785  29.979  2.9688  2.450258       4.649670 
1 1 1 -26 0   27 o 36.194  2.2754  182.348   21.154    202.263   35.130    171.018   26.497    37.504  3.5390  34.884  2.8610  2.619797       4.550771 
1 1 1 -26 0   28 o 29.015  2.5402  122.089   18.489    122.552   30.681    121.826   23.169    28.723  4.1047  29.307  2.9935  -0.5837917     5.080306 
1 1 1 -26 0   29 o 20.552  3.4253  61.690    18.192    0.0000    0.0000    61.690    18.192    ?       ?       20.552  3.4253  ?              ?        
1 1 1 -26 0   30 o 14.394  3.0582  33.270    14.361    7.2654    24.694    46.557    17.652    11.206  4.7489  17.582  3.8546  -6.376563      6.116353 
1 1 1 -26 0   31 o 16.409  3.3207  40.004    14.367    50.639    26.358    35.510    17.136    17.627  5.2161  15.191  4.1112  2.435616       6.641474 
1 1 1 -26 0   32 o 24.704  3.1599  95.816    18.960    92.332    32.656    97.588    23.286    23.671  5.2844  25.736  3.4662  -2.065468      6.319803 
1 1 1 -26 0   33 o 34.467  2.6905  175.878   23.189    189.510   39.776    168.858   28.541    34.892  4.3506  34.041  3.1665  0.8504295      5.380955 
1 1 1 -26 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   8  o 49.803  2.3939  339.506   27.616    341.575   54.584    338.794   32.017    49.570  4.1493  50.036  2.3889  -0.4657478     4.787858 
1 1 1 -26 1   9  o 43.163  1.8625  256.642   20.984    236.567   32.368    271.195   27.559    41.603  2.9233  44.722  2.3086  -3.118454      3.724907 
1 1 1 -26 1   10 o 64.441  1.9650  564.131   33.712    565.087   50.530    563.364   45.257    64.440  2.9275  64.443  2.6219  -0.2914429E-02 3.930015 
1 1 1 -26 1   11 o 45.456  1.7829  281.572   21.390    273.790   32.593    287.458   28.349    44.816  2.7282  46.097  2.2961  -1.280739      3.565796 
1 1 1 -26 1   12 o 21.678  1.8120  62.578    10.144    77.013    16.211    53.288    13.005    23.687  2.5977  19.669  2.5269  4.018286       3.624029 
1 1 1 -26 1   13 o 11.159  3.8549  15.737    14.007    15.737    14.007    0.0000    0.0000    11.159  3.8549  ?       ?       ?              ?        
1 1 1 -26 1   14 o 70.082  1.9956  663.924   37.254    714.756   56.370    624.508   49.639    72.411  2.9064  67.753  2.7353  4.657639       3.991100 
1 1 1 -26 1   15 o 13.939  2.3955  29.438    8.8098    19.645    14.836    34.772    10.949    12.099  3.9664  15.778  2.6872  -3.679331      4.790924 
1 1 1 -26 1   16 o 73.120  2.0888  728.373   40.624    748.969   61.528    712.457   54.089    73.957  3.1060  72.283  2.7937  1.673355       4.177616 
1 1 1 -26 1   17 o 18.824  2.3308  46.752    11.001    66.800    18.425    35.644    13.714    21.832  3.2499  15.816  3.3420  6.015538       4.661669 
1 1 1 -26 1   18 o 24.224  2.1626  76.325    13.142    114.446   21.769    54.464    16.485    28.791  2.8607  19.658  3.2441  9.133553       4.325254 
1 1 1 -26 1   19 o 22.326  2.4725  75.047    13.223    56.049    21.712    86.246    16.671    19.619  4.2544  25.033  2.5205  -5.414654      4.945012 
1 1 1 -26 1   20 o 36.981  2.1323  193.099   20.187    172.855   31.996    206.488   26.020    35.146  3.4431  38.816  2.5163  -3.669949      4.264536 
1 1 1 -26 1   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   22 o 85.109  2.4036  1013.68   54.330    982.051   81.482    1039.00   72.900    83.664  3.6361  86.553  3.1445  -2.888840      4.807189 
1 1 1 -26 1   23 o 60.883  2.2223  521.285   35.467    486.821   54.519    546.573   46.700    58.823  3.4757  62.942  2.7700  -4.119675      4.444527 
1 1 1 -26 1   24 o 10.849  2.4643  3.6106    9.4042    36.707    17.189    -10.5278  11.235    15.717  4.0559  5.9803  2.8003  9.737025       4.928662 
1 1 1 -26 1   25 o 8.8750  2.6189  2.1539    9.5845    10.238    17.701    -1.1993   11.400    10.535  4.1895  7.2153  3.1435  3.319392       5.237717 
1 1 1 -26 1   26 o 10.954  2.9300  13.873    11.278    14.159    19.736    13.734    13.743    11.444  4.4624  10.464  3.7983  0.9804735      5.860054 
1 1 1 -26 1   27 o 34.102  2.3316  161.803   20.470    185.278   33.802    148.209   25.724    35.837  3.5690  32.367  3.0013  3.469894       4.663219 
1 1 1 -26 1   28 o 9.8184  2.8746  5.0083    11.291    13.195    21.213    1.7720    13.338    11.451  4.5758  8.1862  3.4806  3.264336       5.749139 
1 1 1 -26 1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 1   30 o 13.198  3.2786  20.185    13.607    40.647    25.196    11.760    16.167    16.011  5.1636  10.385  4.0417  5.626131       6.557287 
1 1 1 -26 1   31 o 12.022  3.1247  19.859    13.445    7.2931    24.164    25.494    16.181    11.036  4.6884  13.008  4.1320  -1.972160      6.249388 
1 1 1 -26 1   32 o 14.059  3.3854  28.923    14.348    37.298    25.999    25.256    17.204    15.210  5.2521  12.907  4.2732  2.303069       6.770880 
1 1 1 -26 1   33 o 16.922  2.3855  12.191    13.573    115.511   26.726    -23.7143  15.755    27.649  3.7019  6.1951  3.0096  21.45340       4.770905 
1 1 1 -26 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   9  o 46.230  1.8672  293.875   22.621    270.124   34.611    311.586   29.887    44.467  2.9223  47.993  2.3250  -3.526539      3.734311 
1 1 1 -26 2   10 o 27.667  1.6794  102.779   12.205    115.620   18.943    93.664    15.960    29.117  2.4517  26.218  2.2959  2.899349       3.358891 
1 1 1 -26 2   11 o 34.198  1.7118  158.170   15.395    165.575   23.879    152.903   20.140    34.846  2.5767  33.551  2.2542  1.295403       3.423575 
1 1 1 -26 2   12 o 58.295  1.8952  464.708   29.202    443.546   44.139    481.180   38.943    57.002  2.9005  59.588  2.4399  -2.585571      3.790306 
1 1 1 -26 2   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   14 o 20.845  2.2238  64.160    11.179    49.164    18.244    73.175    14.146    18.559  3.7980  23.131  2.3142  -4.571348      4.447521 
1 1 1 -26 2   15 o 57.351  2.0134  456.637   30.153    406.415   46.197    493.915   39.801    54.383  3.1854  60.318  2.4635  -5.935165      4.026843 
1 1 1 -26 2   16 o 41.499  1.9261  236.003   20.831    233.878   32.924    237.422   26.900    41.248  3.0006  41.749  2.4159  -0.5010033     3.852289 
1 1 1 -26 2   17 o 19.055  2.3074  48.969    11.049    61.347    18.426    42.019    13.807    20.849  3.4179  17.260  3.1006  3.589684       4.614771 
1 1 1 -26 2   18 f 33.110  2.0402  150.380   17.514    154.979   27.988    147.420   22.454    33.432  3.1632  32.789  2.5775  0.6428223      4.080336 
1 1 1 -26 2   19 o 78.076  2.2553  839.646   46.873    848.804   70.423    832.363   62.806    78.338  3.3563  77.815  3.0133  0.5225449      4.510508 
1 1 1 -26 2   20 o 18.657  2.6220  53.316    12.079    39.187    20.056    61.358    15.130    16.326  4.4601  20.988  2.7582  -4.662544      5.244043 
1 1 1 -26 2   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   22 o 12.622  2.7456  18.505    10.437    37.193    17.715    8.5698    12.917    15.877  4.1275  9.3679  3.6218  6.508848       5.491277 
1 1 1 -26 2   23 o 39.723  2.1504  220.660   22.163    218.974   35.206    221.766   28.525    39.413  3.3672  40.032  2.6757  -0.6191597     4.300872 
1 1 1 -26 2   24 o 27.802  2.5868  117.094   17.311    90.661    28.197    133.085   21.931    24.674  4.4292  30.930  2.6735  -6.255260      5.173525 
1 1 1 -26 2   25 o 15.133  3.0647  32.954    12.584    40.570    21.450    28.956    15.539    16.300  4.6720  13.965  3.9677  2.334814       6.129483 
1 1 1 -26 2   26 o 30.021  2.4032  127.385   18.435    137.557   30.252    121.377   23.250    30.756  3.7499  29.285  3.0067  1.470808       4.806447 
1 1 1 -26 2   27 o 28.102  2.4980  108.942   17.769    136.812   30.258    94.271    21.954    30.597  3.7721  25.607  3.2760  4.989880       4.996055 
1 1 1 -26 2   28 o 25.313  2.9254  100.349   17.657    82.300    29.942    109.973   21.864    22.820  5.0337  27.807  2.9821  -4.986855      5.850752 
1 1 1 -26 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 2   30 o 35.456  2.4694  170.622   22.324    242.417   37.667    131.748   27.717    40.873  3.4736  30.040  3.5110  10.83258       4.938900 
1 1 1 -26 2   31 o 16.900  3.4155  44.286    15.492    51.965    27.220    40.607    18.842    17.694  5.3154  16.105  4.2907  1.589005       6.831039 
1 1 1 -26 2   32 o 20.121  3.3805  60.540    17.146    85.698    30.371    48.771    20.772    22.771  5.1057  17.471  4.4321  5.300016       6.761040 
1 1 1 -26 2   33 o 13.396  3.0224  9.5994    13.601    64.624    26.350    -10.3868  15.881    19.526  5.0126  7.2667  3.3782  12.25949       6.044719 
1 1 1 -26 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   9  o 19.630  1.7759  53.152    8.8919    52.505    14.151    53.574    11.430    19.468  2.7940  19.793  2.1928  -0.3252125     3.551774 
1 1 1 -26 3   10 o 46.428  1.7449  292.237   21.452    297.809   32.550    287.959   28.524    46.780  2.6082  46.075  2.3187  0.7052612      3.489815 
1 1 1 -26 3   11 o 51.081  1.8281  357.657   24.594    333.670   37.314    376.083   32.703    49.448  2.8291  52.713  2.3162  -3.265438      3.656261 
1 1 1 -26 3   12 o 4.4314  1.7680  -7.7883   2.0925    -28.3820  19.287    -7.5431   2.1049    7.1076  3.4225  1.7553  0.8888  5.352330       3.536000 
1 1 1 -26 3   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   14 o 22.160  2.0666  69.383    11.375    63.363    18.681    72.930    14.339    21.239  3.3984  23.080  2.3524  -1.841616      4.133143 
1 1 1 -26 3   15 o 45.543  1.9461  285.850   23.128    271.718   36.071    295.714   30.137    44.471  3.0467  46.614  2.4221  -2.143803      3.892144 
1 1 1 -26 3   16 o 21.407  2.3822  70.272    12.103    45.538    19.385    86.073    15.494    17.734  4.1540  25.081  2.3331  -7.347466      4.764359 
1 1 1 -26 3   17 o 16.691  2.4790  45.165    10.773    19.507    17.391    61.142    13.723    12.322  4.2931  21.060  2.4803  -8.738008      4.958100 
1 1 1 -26 3   18 o 56.556  2.0497  438.784   30.644    440.826   46.918    437.266   40.468    56.533  3.1104  56.579  2.6703  -0.4515839E-01 4.099458 
1 1 1 -26 3   19 o 44.373  2.0074  267.010   23.474    298.741   36.623    244.884   30.582    46.535  2.9535  42.211  2.7193  4.323978       4.014756 
1 1 1 -26 3   20 f 25.326  2.2164  86.737    14.426    106.895   23.369    74.327    18.337    27.621  3.2192  23.030  3.0474  4.590849       4.432816 
1 1 1 -26 3   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 3   22 o 23.522  2.4714  76.970    14.720    88.207    24.205    70.376    18.542    24.757  3.7692  22.287  3.1977  2.469646       4.942889 
1 1 1 -26 3   23 o 31.329  2.3517  142.204   18.553    125.045   29.664    153.228   23.777    29.441  3.8543  33.217  2.6957  -3.776550      4.703443 
1 1 1 -26 3   24 o 21.578  2.6104  65.035    14.250    83.081    23.207    54.113    18.055    23.906  3.7475  19.250  3.6349  4.655539       5.220769 
1 1 1 -26 3   25 o 21.324  2.7259  65.192    14.575    74.958    24.189    59.626    18.262    22.403  4.1849  20.245  3.4941  2.158556       5.451823 
1 1 1 -26 3   26 o 8.3629  2.4539  2.2913    9.6262    -12.6015  16.495    9.9830    11.854    7.3878  3.4373  9.3380  3.5029  -1.950211      4.907740 
1 1 1 -26 3   27 f 9.8685  2.7282  8.7470    11.258    -7.8676   19.298    17.320    13.862    8.5456  3.8797  11.191  3.8366  -2.645946      5.456352 
1 1 1 -26 3   28 o 20.978  3.0977  72.450    15.976    52.606    27.688    82.354    19.561    18.017  5.3493  23.939  3.1252  -5.921846      6.195320 
1 1 1 -26 3   29 o 15.914  5.1160  40.083    24.749    40.083    24.749    0.0000    0.0000    15.914  5.1160  ?       ?       ?              ?        
1 1 1 -26 3   30 o 26.903  2.8126  100.751   18.922    145.550   32.277    77.294    23.356    31.205  3.9502  22.601  4.0048  8.604212       5.625154 
1 1 1 -26 3   31 o 15.779  3.3498  41.756    15.526    28.373    27.651    47.918    18.764    13.974  5.3252  17.583  4.0653  -3.608962      6.699636 
1 1 1 -26 3   32 o 14.856  3.3809  34.783    14.537    39.097    26.032    32.828    17.523    15.330  5.2576  14.382  4.2521  0.9481115      6.761860 
1 1 1 -26 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   9  o 123.078 5.6207  2152.86   185.296   0.0000    0.0000    2152.86   185.296   ?       ?       123.078 5.6207  ?              ?        
1 1 1 -26 4   10 o 36.702  1.7349  186.207   16.571    167.248   25.468    200.128   21.822    34.977  2.7403  38.427  2.1285  -3.449993      3.469830 
1 1 1 -26 4   11 o 42.069  1.8197  245.986   19.838    213.985   30.656    269.039   26.020    39.531  2.9159  44.606  2.1778  -5.075550      3.639383 
1 1 1 -26 4   12 o 58.239  1.9138  462.911   29.458    453.724   44.907    469.851   39.029    57.623  2.9191  58.854  2.4758  -1.230881      3.827628 
1 1 1 -26 4   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 4   14 o 21.364  2.1482  64.307    11.476    60.597    18.651    66.568    14.557    20.728  3.4828  22.000  2.5157  -1.272095      4.296339 
1 1 1 -26 4   15 o 39.688  2.0114  221.695   20.523    188.438   31.799    245.437   26.868    36.915  3.2492  42.460  2.3719  -5.545971      4.022788 
1 1 1 -26 4   16 o 50.199  1.9682  344.448   26.073    349.694   40.030    340.582   34.362    50.452  2.9753  49.946  2.5773  0.5067062      3.936419 
1 1 1 -26 4   17 o 32.638  1.9798  142.969   16.894    170.010   26.793    125.122   21.767    35.128  2.8728  30.148  2.7251  4.980635       3.959636 
1 1 1 -26 4   18 o 29.713  2.0367  118.932   15.747    140.501   25.192    105.102   20.173    31.848  2.9882  27.578  2.7683  4.269993       4.073418 
1 1 1 -26 4   19 o 54.027  2.0674  401.766   29.509    408.044   45.135    397.078   38.999    54.290  3.1169  53.764  2.7169  0.5259018      4.134859 
1 1 1 -26 4   20 o 34.564  2.1013  162.411   18.970    186.025   30.196    147.015   24.381    36.548  3.1142  32.579  2.8219  3.969330       4.202569 
1 1 1 -26 4   21 o 27.768  3.5763  109.682   25.982    109.682   25.982    0.0000    0.0000    27.768  3.5763  ?       ?       ?              ?        
1 1 1 -26 4   22 o 18.488  2.8402  52.960    13.313    40.238    21.982    60.329    16.731    16.364  4.7412  20.612  3.1286  -4.248739      5.680416 
1 1 1 -26 4   23 f 32.871  2.2216  148.049   18.984    175.493   30.537    130.762   24.236    35.235  3.2730  30.508  3.0050  4.727570       4.443257 
1 1 1 -26 4   24 o 22.619  2.8086  79.335    15.457    61.645    25.285    89.892    19.532    20.010  4.7827  25.228  2.9461  -5.217844      5.617286 
1 1 1 -26 4   25 o 22.214  2.8483  76.572    15.344    62.885    25.793    84.067    19.088    20.100  4.8472  24.327  2.9926  -4.226742      5.696587 
1 1 1 -26 4   26 o 25.767  2.5510  93.684    16.656    110.669   27.676    84.039    20.856    27.404  3.8788  24.130  3.3144  3.273994       5.102019 
1 1 1 -26 4   27 o 15.029  3.0423  36.403    13.387    21.248    22.623    44.570    16.607    12.783  4.8299  17.275  3.7007  -4.491576      6.084633 
1 1 1 -26 4   28 o 25.583  3.2112  94.383    21.520    0.0000    0.0000    94.383    21.520    ?       ?       25.583  3.2112  ?              ?        
1 1 1 -26 4   29 o 18.361  3.2608  49.938    15.402    65.850    26.587    41.901    18.896    20.277  4.9406  16.444  4.2569  3.833536       6.521551 
1 1 1 -26 4   30 o 26.611  3.1444  113.206   20.063    97.513    34.077    121.532   24.820    24.304  5.3772  28.919  3.2613  -4.614933      6.288894 
1 1 1 -26 4   31 o 27.437  2.9099  112.811   19.811    125.333   33.822    106.270   24.443    28.111  4.6548  26.763  3.4931  1.347427       5.819702 
1 1 1 -26 4   32 o 7.8636  2.5972  -14.5857  11.312    3.3479    22.678    -20.5260  13.052    10.122  4.4211  5.6056  2.7269  4.515971       5.194393 
1 1 1 -26 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   9  o 49.154  2.8462  344.551   36.002    284.362   54.385    391.502   48.033    44.944  4.5817  53.364  3.3779  -8.419559      5.692325 
1 1 1 -26 5   10 o 37.350  1.7798  193.727   17.192    172.028   26.768    208.961   22.428    35.440  2.8438  39.260  2.1409  -3.820057      3.559633 
1 1 1 -26 5   11 f 45.728  1.9009  293.239   22.380    244.602   34.622    328.147   29.332    42.211  3.0836  49.245  2.2238  -7.033577      3.801783 
1 1 1 -26 5   12 o 26.573  1.8581  92.058    12.676    127.825   20.592    70.237    16.084    30.580  2.5369  22.566  2.7156  8.013966       3.716199 
1 1 1 -26 5   13 o 19.030  3.4913  51.278    17.139    51.278    17.139    0.0000    0.0000    19.030  3.4913  ?       ?       ?              ?        
1 1 1 -26 5   14 o 26.771  1.9680  97.187    13.694    107.450   21.710    90.405    17.649    27.892  2.9507  25.650  2.6049  2.242256       3.936019 
1 1 1 -26 5   15 o 36.843  1.9467  185.392   18.816    191.202   29.255    181.293   24.574    37.270  2.9548  36.416  2.5352  0.8533783      3.893306 
1 1 1 -26 5   16 o 34.762  1.9649  165.823   17.859    168.036   27.857    164.279   23.269    34.882  3.0110  34.643  2.5251  0.2393608      3.929718 
1 1 1 -26 5   17 o 18.751  2.3182  47.396    10.982    63.969    17.904    37.400    13.905    21.319  3.2371  16.183  3.3192  5.136187       4.636354 
1 1 1 -26 5   18 o 77.182  2.2309  817.135   45.946    881.681   68.732    764.991   61.777    79.878  3.2125  74.486  3.0964  5.391945       4.461839 
1 1 1 -26 5   19 o 34.571  2.0922  165.258   18.856    168.878   29.615    162.790   24.452    34.783  3.2151  34.359  2.6781  0.4239388      4.184367 
1 1 1 -26 5   20 o 25.183  4.9511  94.925    32.206    0.0000    0.0000    94.925    32.206    ?       ?       25.183  4.9511  ?              ?        
1 1 1 -26 5   21 o 48.335  2.1350  324.415   27.108    330.367   42.142    320.214   35.405    48.563  3.2587  48.108  2.7592  0.4553757      4.269928 
1 1 1 -26 5   22 o 43.453  2.1200  258.829   24.166    292.817   38.309    236.365   31.145    45.695  3.1493  41.211  2.8389  4.483765       4.239913 
1 1 1 -26 5   23 o 26.124  2.3824  93.205    15.855    118.411   26.353    78.906    19.849    28.739  3.4954  23.509  3.2382  5.230591       4.764837 
1 1 1 -26 5   24 o 14.255  2.9806  26.370    11.963    45.648    20.907    16.983    14.588    17.268  4.4814  11.243  3.9312  6.024408       5.961288 
1 1 1 -26 5   25 o 30.425  2.4261  131.090   18.760    142.415   31.229    124.695   23.467    31.195  3.8171  29.654  2.9956  1.541048       4.852190 
1 1 1 -26 5   26 o 17.517  3.1037  47.069    13.996    47.537    24.160    46.832    17.170    17.326  4.9560  17.708  3.7375  -0.3815613     6.207337 
1 1 1 -26 5   27 o 13.934  3.2145  27.967    12.847    32.853    24.050    26.016    15.197    14.698  5.0527  13.170  3.9752  1.528095       6.429027 
1 1 1 -26 5   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 5   29 o 16.452  3.3716  41.596    14.882    48.097    26.790    38.695    17.897    17.109  5.3000  15.796  4.1690  1.312578       6.743180 
1 1 1 -26 5   30 o 21.380  3.2348  71.048    16.985    76.974    30.137    68.289    20.561    21.489  5.2751  21.271  3.7456  0.2171249      6.469637 
1 1 1 -26 5   31 o 9.4875  2.6181  3.9995    12.261    -42.0331  23.451    21.314    14.383    7.0811  3.4877  11.894  3.9057  -4.812917      5.236246 
1 1 1 -26 5   32 o 19.514  3.2861  54.295    15.814    92.757    30.209    39.778    18.560    23.428  4.9682  15.599  4.3024  7.828787       6.572218 
1 1 1 -26 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   9  f 40.473  2.5617  228.379   27.160    215.899   40.824    238.288   36.379    39.351  3.9256  41.596  3.2921  -2.244476      5.123311 
1 1 1 -26 6   10 f 31.402  1.7449  130.052   14.304    162.248   22.910    109.482   18.312    34.492  2.4966  28.313  2.4385  6.179541       3.489893 
1 1 1 -26 6   11 o 30.304  1.8296  122.717   14.477    142.304   23.104    110.057   18.575    32.233  2.7011  28.375  2.4686  3.857708       3.659204 
1 1 1 -26 6   12 o 57.529  2.5832  449.969   39.804    0.0000    0.0000    449.969   39.804    ?       ?       57.529  2.5832  ?              ?        
1 1 1 -26 6   13 o 63.395  2.0258  547.493   34.205    560.215   51.404    537.385   45.822    63.996  2.9989  62.794  2.7244  1.202721       4.051610 
1 1 1 -26 6   14 o 79.945  2.2247  876.375   47.467    885.793   70.316    868.491   64.338    80.261  3.2708  79.629  3.0165  0.6325531      4.449485 
1 1 1 -26 6   15 f 8.5954  2.2766  7.8982    6.9071    5.7357    11.797    9.0262    8.5203    8.6122  3.4216  8.5785  3.0041  0.3364849E-01  4.553265 
1 1 1 -26 6   16 o 12.156  2.4805  19.295    8.4106    28.589    13.968    14.009    10.535    14.086  3.6665  10.226  3.3418  3.860042       4.960921 
1 1 1 -26 6   17 o 42.140  2.0012  241.837   22.216    263.155   34.530    226.780   29.020    43.653  2.9709  40.626  2.6820  3.027431       4.002421 
1 1 1 -26 6   18 o 21.562  2.3262  63.334    12.750    79.062    20.704    53.724    16.183    23.654  3.3625  19.471  3.2154  4.183430       4.652445 
1 1 1 -26 6   19 o 11.852  2.6815  20.003    9.9683    10.246    16.684    25.420    12.431    10.448  4.0949  13.255  3.4632  -2.806684      5.362983 
1 1 1 -26 6   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 6   21 o 70.220  2.2485  682.723   41.965    734.735   64.232    643.987   55.432    72.412  3.3117  68.028  3.0422  4.383713       4.496912 
1 1 1 -26 6   22 o 27.032  2.6681  112.785   17.129    82.725    27.954    130.856   21.675    23.409  4.6223  30.654  2.6664  -7.244535      5.336195 
1 1 1 -26 6   23 o 42.861  2.1883  255.266   24.498    279.152   39.153    239.898   31.404    44.329  3.3217  41.394  2.8498  2.934586       4.376624 
1 1 1 -26 6   24 o 31.304  2.4297  143.098   19.092    132.602   31.171    149.399   24.152    30.002  3.9771  32.606  2.7924  -2.604731      4.859476 
1 1 1 -26 6   25 o 23.340  2.7249  77.257    15.796    93.818    27.196    68.826    19.404    24.963  4.2177  21.716  3.4515  3.246691       5.449879 
1 1 1 -26 6   26 o 24.568  2.6819  82.695    16.333    114.652   28.765    67.490    19.842    27.741  3.9858  21.396  3.5894  6.345276       5.363814 
1 1 1 -26 6   27 o 18.001  3.1148  46.630    14.292    64.984    25.009    37.728    17.417    20.324  4.6895  15.678  4.1008  4.646719       6.229574 
1 1 1 -26 6   28 o 27.995  4.5781  121.389   33.141    121.389   33.141    0.0000    0.0000    27.995  4.5781  ?       ?       ?              ?        
1 1 1 -26 6   29 o 11.958  3.2731  17.168    13.950    21.903    25.512    15.148    16.661    12.956  5.0675  10.959  4.1439  1.997166       6.546116 
1 1 1 -26 6   30 o 9.9633  2.5612  4.9246    12.448    -50.6675  23.337    27.030    14.716    6.6966  3.3300  13.230  3.8924  -6.533445      5.122495 
1 1 1 -26 6   31 o 9.1716  2.7552  3.4130    12.450    -23.8843  24.584    12.829    14.439    8.2524  3.9450  10.091  3.8474  -1.838307      5.510484 
1 1 1 -26 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   9  o 12.362  2.1520  22.918    7.0120    15.825    11.901    26.689    8.6783    10.891  3.5516  13.833  2.4310  -2.942013      4.303923 
1 1 1 -26 7   10 o 38.785  1.8187  200.113   18.540    241.282   29.173    172.222   24.012    42.052  2.6029  35.519  2.5408  6.533382       3.637360 
1 1 1 -26 7   11 o 48.991  1.8797  322.126   24.362    374.853   37.472    283.520   32.064    52.408  2.6784  45.574  2.6380  6.834446       3.759329 
1 1 1 -26 7   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   13 o 52.363  1.9843  376.977   27.439    361.123   41.543    389.245   36.545    51.251  3.0398  53.475  2.5514  -2.224216      3.968675 
1 1 1 -26 7   14 o 12.878  2.5175  23.028    8.7629    26.728    14.342    20.824    11.069    13.657  3.7882  12.099  3.3168  1.557470       5.035012 
1 1 1 -26 7   15 o 13.534  2.4369  26.553    8.6962    24.412    14.260    27.820    10.973    13.090  3.8261  13.978  3.0190  -0.8879156     4.873716 
1 1 1 -26 7   16 o 42.527  2.0138  251.302   22.352    237.188   34.617    261.394   29.272    41.359  3.1485  43.696  2.5116  -2.336884      4.027537 
1 1 1 -26 7   17 o 23.965  2.1970  77.669    13.500    96.189    21.870    66.267    17.160    26.199  3.1818  21.732  3.0305  4.466900       4.394047 
1 1 1 -26 7   18 o 45.674  2.0763  288.840   24.850    289.344   38.751    288.488   32.386    45.570  3.1950  45.778  2.6526  -0.2078743     4.152651 
1 1 1 -26 7   19 o 7.7588  3.2172  2.6874    10.963    0.0000    0.0000    2.6874    10.963    ?       ?       7.7588  3.2172  ?              ?        
1 1 1 -26 7   20 o 34.198  2.1962  162.773   19.413    169.999   31.277    158.246   24.758    34.655  3.4139  33.741  2.7638  0.9146309      4.392408 
1 1 1 -26 7   21 f 13.387  2.8338  27.447    11.267    15.245    19.680    33.398    13.743    11.668  4.4815  15.107  3.4695  -3.438960      5.667542 
1 1 1 -26 7   22 o 72.144  2.3678  738.208   45.071    726.390   69.055    746.979   59.490    71.269  3.6295  73.018  3.0417  -1.749168      4.735547 
1 1 1 -26 7   23 o 25.871  2.4553  92.245    16.108    117.118   27.023    78.536    20.061    28.393  3.6369  23.350  3.2996  5.043329       4.910640 
1 1 1 -26 7   24 o 26.240  2.6815  103.657   17.196    92.871    28.564    109.787   21.535    24.666  4.4888  27.815  2.9349  -3.148067      5.363075 
1 1 1 -26 7   25 o 27.116  2.8463  114.167   18.273    95.998    31.366    123.501   22.481    24.724  4.9096  29.509  2.8811  -4.784962      5.692576 
1 1 1 -26 7   26 o 8.3709  2.5058  -0.2181   10.683    -23.1197  19.019    10.338    12.912    7.1896  3.4456  9.5522  3.6393  -2.362681      5.011664 
1 1 1 -26 7   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 7   28 o 25.258  2.8775  90.999    18.016    119.155   31.496    77.306    21.964    27.802  4.3740  22.715  3.7402  5.087128       5.755068 
1 1 1 -26 7   29 o 15.802  3.3871  36.477    14.651    54.685    26.796    28.713    17.498    18.019  5.2387  13.585  4.2950  4.433990       6.774220 
1 1 1 -26 7   30 o 11.041  3.0973  7.7757    12.804    31.346    24.463    -1.1172   15.026    14.016  5.0707  8.0651  3.5583  5.951218       6.194580 
1 1 1 -26 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 8   8  o 15.745  2.6496  35.956    10.874    32.785    17.265    38.041    14.000    15.113  4.1420  16.378  3.3054  -1.264894      5.299275 
1 1 1 -26 8   9  o 19.092  2.0268  50.515    9.8057    51.910    15.734    49.628    12.539    19.233  3.1641  18.951  2.5336  0.2822723      4.053515 
1 1 1 -26 8   10 o 51.595  1.9663  363.758   26.821    362.395   40.925    364.784   35.510    51.399  2.9855  51.791  2.5598  -0.3915138     3.932674 
1 1 1 -26 8   11 o 25.427  1.9545  86.488    12.880    105.316   20.603    74.409    16.502    27.639  2.8226  23.216  2.7044  4.422997       3.909087 
1 1 1 -26 8   12 o 35.610  2.0187  179.764   18.361    148.606   28.414    202.100   24.058    32.711  3.2876  38.509  2.3436  -5.797657      4.037425 
1 1 1 -26 8   13 o 39.465  1.9583  214.945   20.198    207.680   31.336    220.109   26.417    38.789  3.0404  40.140  2.4691  -1.351009      3.916678 
1 1 1 -26 8   14 o 8.3437  2.2137  5.2320    6.5469    13.147    11.418    1.3548    7.9912    10.130  3.4815  6.5571  2.7351  3.573239       4.427370 
1 1 1 -26 8   15 o 60.881  2.0631  506.288   33.379    532.539   50.966    486.569   44.171    62.178  3.0602  59.585  2.7677  2.593613       4.126123 
1 1 1 -26 8   16 o 26.044  2.3051  99.619    14.717    78.970    23.543    112.865   18.856    23.446  3.8849  28.642  2.4823  -5.196238      4.610291 
1 1 1 -26 8   17 o 40.783  2.0284  225.062   21.714    262.270   34.365    200.334   28.015    43.492  2.9677  38.075  2.7659  5.417343       4.056786 
1 1 1 -26 8   18 o 29.478  2.1994  120.745   16.676    126.752   26.938    117.013   21.235    29.937  3.4210  29.019  2.7654  0.9173450      4.398897 
1 1 1 -26 8   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 8   20 o 49.051  2.1717  335.851   27.867    343.490   43.930    330.707   36.049    49.317  3.3454  48.785  2.7702  0.5328140      4.343498 
1 1 1 -26 8   21 o 50.804  2.2089  362.503   29.345    368.456   46.257    358.494   37.961    50.915  3.4117  50.693  2.8067  0.2216415      4.417803 
1 1 1 -26 8   22 o 14.517  3.0080  31.985    12.106    29.110    21.182    33.380    14.753    14.067  4.7430  14.967  3.7009  -0.8999586     6.016048 
1 1 1 -26 8   23 o 16.016  2.9102  42.283    12.866    24.165    22.259    51.373    15.766    13.233  4.8293  18.799  3.2487  -5.565825      5.820309 
1 1 1 -26 8   24 o 32.459  2.3647  146.770   19.572    172.374   33.104    133.011   24.267    34.356  3.6534  30.561  3.0033  3.795149       4.729433 
1 1 1 -26 8   25 o 16.743  3.0717  46.697    13.899    30.606    24.905    53.976    16.750    14.328  5.1245  19.158  3.3882  -4.829556      6.143301 
1 1 1 -26 8   26 o 7.3316  2.3943  -14.2570  10.026    2.6318    18.334    -21.4619  11.975    9.4256  4.0458  5.2376  2.5617  4.187990       4.788639 
1 1 1 -26 8   27 o 17.621  5.4540  51.858    28.377    51.858    28.377    0.0000    0.0000    17.621  5.4540  ?       ?       ?              ?        
1 1 1 -26 8   28 o 20.330  3.1960  59.517    16.114    87.887    29.057    46.919    19.364    23.379  4.8009  17.281  4.2200  6.098572       6.391952 
1 1 1 -26 8   29 o 15.397  3.4128  38.067    14.786    40.742    27.545    36.985    17.525    15.541  5.4037  15.253  4.1701  0.2875834      6.825642 
1 1 1 -26 8   30 o 15.344  3.4496  34.536    14.572    56.595    28.292    26.571    17.000    17.755  5.4377  12.932  4.2462  4.823774       6.899160 
1 1 1 -26 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 9   7  o 45.288  3.2096  282.542   38.681    0.0000    0.0000    282.542   38.681    ?       ?       45.288  3.2096  ?              ?        
1 1 1 -26 9   8  o 39.767  1.8155  214.300   19.131    231.546   28.934    200.905   25.499    41.161  2.6383  38.372  2.4945  2.789677       3.630914 
1 1 1 -26 9   9  f 40.427  1.9262  224.236   20.500    220.687   31.261    226.913   27.155    40.075  2.9327  40.780  2.4981  -0.7051620     3.852428 
1 1 1 -26 9   10 o 46.381  1.9697  293.635   24.105    302.280   37.047    287.289   31.742    46.904  2.9641  45.858  2.5949  1.046024       3.939480 
1 1 1 -26 9   11 o 23.004  4.6022  77.084    27.366    77.084    27.366    0.0000    0.0000    23.004  4.6022  ?       ?       ?              ?        
1 1 1 -26 9   12 o 34.281  1.9552  159.660   17.520    172.804   27.731    150.928   22.603    35.384  2.9530  33.177  2.5634  2.206467       3.910371 
1 1 1 -26 9   13 o 15.844  2.4495  39.625    10.005    22.404    16.512    49.618    12.577    12.778  4.1842  18.910  2.5481  -6.131701      4.899014 
1 1 1 -26 9   14 o 37.934  1.9880  197.107   19.708    205.501   31.124    191.489   25.464    38.514  3.0418  37.353  2.5606  1.161201       3.976084 
1 1 1 -26 9   15 o 34.975  2.0064  166.918   18.319    181.433   29.131    157.425   23.560    36.143  3.0373  33.808  2.6223  2.335201       4.012737 
1 1 1 -26 9   16 o 67.259  2.1892  624.166   39.093    644.089   59.719    609.227   51.713    68.062  3.2758  66.456  2.9052  1.606155       4.378484 
1 1 1 -26 9   17 o 19.727  2.6611  59.961    12.823    44.996    21.377    68.373    16.026    17.337  4.5471  22.116  2.7659  -4.779184      5.322223 
1 1 1 -26 9   18 o 36.540  2.6843  185.057   26.087    0.0000    0.0000    185.057   26.087    ?       ?       36.540  2.6843  ?              ?        
1 1 1 -26 9   19 o 36.993  2.2334  195.697   21.075    180.019   33.857    205.614   26.927    35.481  3.6131  38.506  2.6265  -3.025352      4.466870 
1 1 1 -26 9   20 o 26.912  2.3141  98.218    15.885    127.561   26.500    81.761    19.846    29.880  3.3700  23.945  3.1724  5.935141       4.628296 
1 1 1 -26 9   21 o 25.765  2.7815  104.521   16.819    77.754    28.290    119.155   20.918    22.383  4.8580  29.147  2.7104  -6.763714      5.563008 
1 1 1 -26 9   22 o 18.039  2.9507  47.562    13.277    55.923    23.484    43.634    16.096    18.940  4.6608  17.138  3.6200  1.801983       5.901443 
1 1 1 -26 9   23 o 10.714  2.8723  13.788    10.837    11.434    19.648    14.817    12.991    10.909  4.3881  10.519  3.7076  0.3899183      5.744684 
1 1 1 -26 9   24 o 20.813  3.0080  66.204    15.277    66.753    26.989    65.945    18.531    20.404  4.9817  21.222  3.3728  -0.8182182     6.016059 
1 1 1 -26 9   25 o 9.6331  2.8227  6.7257    11.753    -4.2670   21.605    11.346    14.007    9.3476  4.1863  9.9185  3.7876  -0.5708618     5.645497 
1 1 1 -26 9   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 9   27 o 29.584  3.0058  139.919   20.959    116.675   35.882    151.955   25.821    26.675  5.2090  32.492  3.0009  -5.817158      6.011534 
1 1 1 -26 9   28 o 13.804  3.3739  24.638    13.933    46.518    27.005    16.700    16.265    16.509  5.3479  11.099  4.1150  5.410222       6.747862 
1 1 1 -26 9   29 o 15.722  3.4202  36.686    14.705    58.124    27.613    28.200    17.374    18.151  5.3297  13.294  4.2878  4.856827       6.840399 
1 1 1 -26 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 10  7  o 35.697  1.7437  172.218   16.482    194.507   24.832    154.666   22.036    37.748  2.4696  33.645  2.4623  4.102962       3.487372 
1 1 1 -26 10  8  o 36.447  1.9525  185.984   18.448    160.377   28.018    205.581   24.511    34.059  3.1054  38.834  2.3677  -4.775589      3.905097 
1 1 1 -26 10  9  o 66.558  2.1588  609.711   38.147    592.075   57.386    623.675   51.062    65.577  3.2671  67.538  2.8226  -1.961288      4.317571 
1 1 1 -26 10  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 10  11 o 13.166  2.3636  27.023    8.6357    13.257    14.694    34.285    10.673    10.689  3.9203  15.643  2.6414  -4.953825      4.727163 
1 1 1 -26 10  12 f 16.259  2.4486  37.876    9.9798    37.893    16.762    37.867    12.421    16.146  3.9161  16.373  2.9405  -0.2271938     4.897165 
1 1 1 -26 10  13 o 44.342  2.0583  272.578   23.800    265.718   37.352    277.268   30.880    43.725  3.2118  44.960  2.5750  -1.235134      4.116600 
1 1 1 -26 10  14 o 28.537  2.1848  115.830   15.724    105.463   25.396    122.275   20.024    27.282  3.5603  29.793  2.5334  -2.510801      4.369623 
1 1 1 -26 10  15 o 44.319  2.1111  273.058   24.333    270.706   38.614    274.607   31.339    43.987  3.3015  44.652  2.6320  -0.6642647     4.222233 
1 1 1 -26 10  16 o 8.5046  2.4059  5.6868    8.2694    -2.2587   14.877    9.2391    9.9477    8.1366  3.5667  8.8726  3.2299  -0.7360172     4.811818 
1 1 1 -26 10  17 o 38.828  2.0900  199.122   20.940    278.470   34.265    151.824   26.454    44.743  2.8743  32.913  3.0350  11.83043       4.180048 
1 1 1 -26 10  18 o 9.7281  4.0054  6.0161    16.828    6.0161    16.828    0.0000    0.0000    9.7281  4.0054  ?       ?       ?              ?        
1 1 1 -26 10  19 o 12.110  2.7993  21.368    10.653    12.238    18.404    25.968    13.063    10.946  4.2975  13.275  3.5884  -2.328574      5.598649 
1 1 1 -26 10  20 o 20.430  2.6766  60.406    13.541    66.305    23.059    57.301    16.729    20.950  4.2546  19.909  3.2491  1.040186       5.353294 
1 1 1 -26 10  21 o 36.382  2.3188  191.758   21.448    180.419   34.796    198.705   27.237    35.135  3.7556  37.628  2.7208  -2.493553      4.637616 
1 1 1 -26 10  22 o 21.229  2.7388  62.401    14.351    86.403    25.281    50.991    17.432    23.953  4.0873  18.505  3.6466  5.447758       5.477549 
1 1 1 -26 10  23 o 35.283  2.3287  172.068   21.092    211.755   35.513    150.440   26.217    38.137  3.5162  32.429  3.0543  5.707535       4.657478 
1 1 1 -26 10  24 o 31.143  2.4711  138.908   19.608    153.879   32.590    130.413   24.549    32.159  3.8606  30.126  3.0858  2.033115       4.942259 
1 1 1 -26 10  25 o 17.062  3.7953  44.259    16.897    0.0000    0.0000    44.259    16.897    ?       ?       17.062  3.7953  ?              ?        
1 1 1 -26 10  26 o 14.459  3.2457  34.038    14.081    23.564    26.131    38.324    16.716    13.191  5.1371  15.726  3.9683  -2.535019      6.491339 
1 1 1 -26 10  27 o 17.106  3.2452  51.141    15.432    32.921    27.791    59.263    18.556    14.446  5.3744  19.767  3.6388  -5.321200      6.490342 
1 1 1 -26 10  28 o 17.282  3.3954  46.855    15.218    60.754    28.070    41.070    18.110    18.585  5.3498  15.979  4.1826  2.606258       6.790767 
1 1 1 -26 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 11  6  o 52.662  1.8132  375.669   25.444    411.295   37.960    346.603   34.287    54.940  2.5796  50.384  2.5490  4.556072       3.626488 
1 1 1 -26 11  7  o 22.404  2.0103  70.502    11.474    65.648    17.963    73.847    14.913    21.633  3.1964  23.176  2.4389  -1.543491      4.020610 
1 1 1 -26 11  8  o 52.798  2.0377  385.082   28.375    363.811   42.921    401.596   37.818    51.340  3.1363  54.255  2.6024  -2.915462      4.075370 
1 1 1 -26 11  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 11  10 f 21.214  2.3055  64.469    12.121    59.591    19.861    67.364    15.302    20.376  3.7782  22.052  2.6433  -1.675573      4.611044 
1 1 1 -26 11  11 o 16.926  2.3328  36.092    9.9571    66.073    17.199    20.978    12.212    21.708  3.0414  12.144  3.5381  9.563433       4.665692 
1 1 1 -26 11  12 o 16.738  2.5511  41.446    10.650    36.693    18.166    43.934    13.146    15.813  4.2131  17.663  2.8778  -1.850142      5.102139 
1 1 1 -26 11  13 o 37.620  2.0369  189.505   19.963    230.801   32.415    164.273   25.338    40.780  2.9884  34.460  2.7685  6.319626       4.073771 
1 1 1 -26 11  14 o 54.068  2.1215  401.436   30.153    431.138   47.492    381.378   39.028    55.598  3.2027  52.539  2.7832  3.058567       4.243088 
1 1 1 -26 11  15 o 44.687  2.1667  279.034   25.109    276.850   40.124    280.441   32.191    44.333  3.4050  45.042  2.6804  -0.7088356     4.333442 
1 1 1 -26 11  16 o 45.771  2.1240  287.204   25.432    321.000   40.746    265.634   32.552    47.817  3.1998  43.724  2.7941  4.093639       4.248021 
1 1 1 -26 11  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 11  18 o 13.278  2.6312  16.841    10.457    50.826    19.265    2.6468    12.450    18.438  4.0146  8.1176  3.4023  10.32076       5.262344 
1 1 1 -26 11  19 o 17.215  2.9156  46.954    12.798    37.294    22.701    51.455    15.495    15.563  4.8883  18.867  3.1792  -3.303782      5.831222 
1 1 1 -26 11  20 o 16.935  2.9625  43.197    12.787    45.612    22.342    42.021    15.593    17.053  4.7273  16.818  3.5719  0.2346554      5.925041 
1 1 1 -26 11  21 o 23.126  2.7364  77.970    15.562    86.064    26.908    73.903    19.075    23.684  4.4039  22.569  3.2491  1.114346       5.472734 
1 1 1 -26 11  22 o 10.469  2.7960  9.9272    10.286    23.368    18.488    3.9017    12.379    12.702  4.4265  8.2354  3.4171  4.466565       5.591953 
1 1 1 -26 11  23 o 21.095  2.9953  66.330    15.617    76.229    27.047    61.380    19.127    21.924  4.7438  20.266  3.6583  1.658064       5.990548 
1 1 1 -26 11  24 o 27.515  2.8706  118.223   18.954    102.117   31.985    126.939   23.530    25.293  4.8981  29.737  2.9949  -4.444435      5.741203 
1 1 1 -26 11  25 o 24.108  5.2019  95.805    32.604    95.805    32.604    0.0000    0.0000    24.108  5.2019  ?       ?       ?              ?        
1 1 1 -26 11  26 o 15.492  3.3734  38.115    14.526    41.734    26.761    36.603    17.295    15.764  5.3311  15.220  4.1350  0.5437021      6.746807 
1 1 1 -26 11  27 o 7.0927  2.3924  -13.4350  10.658    -14.8375  21.455    -12.9755  12.280    8.2163  3.8545  5.9691  2.8349  2.247178       4.784736 
1 1 1 -26 11  28 o 19.578  3.3903  68.541    17.056    56.660    30.977    73.710    20.432    17.315  5.7340  21.842  3.6192  -4.526604      6.780674 
1 1 1 -26 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 12  4  o 20.996  2.9737  67.798    16.055    38.990    23.872    91.587    21.693    16.392  4.9899  25.600  3.2360  -9.208122      5.947387 
1 1 1 -26 12  5  o 20.538  1.9931  55.713    9.8210    96.255    15.819    30.287    12.528    26.532  2.2472  14.545  3.2923  11.98665       3.986123 
1 1 1 -26 12  6  o 20.761  2.0315  59.206    10.837    65.369    17.115    55.081    14.002    21.616  3.0401  19.906  2.6956  1.710300       4.063059 
1 1 1 -26 12  7  o 29.592  2.1134  126.902   15.597    98.093    24.294    147.102   20.343    26.381  3.5264  32.803  2.3304  -6.422594      4.226843 
1 1 1 -26 12  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 12  9  f 21.355  2.5406  71.418    12.835    45.960    21.068    86.442    16.185    17.651  4.4557  25.060  2.4423  -7.408985      5.081210 
1 1 1 -26 12  10 o 46.937  2.1111  303.312   25.927    312.832   40.938    296.937   33.502    47.417  3.2428  46.458  2.7040  0.9593811      4.222237 
1 1 1 -26 12  11 o 36.518  2.0805  180.273   19.767    208.688   32.073    162.870   25.101    38.714  3.1195  34.323  2.7535  4.390846       4.160948 
1 1 1 -26 12  12 o 44.370  2.0997  267.374   24.325    303.041   39.268    245.165   30.986    46.624  3.1631  42.117  2.7620  4.506905       4.199318 
1 1 1 -26 12  13 f 42.875  2.1537  254.074   23.947    265.973   38.753    246.724   30.457    43.508  3.3513  42.242  2.7061  1.265606       4.307436 
1 1 1 -26 12  14 f 78.331  2.3762  852.728   49.381    915.844   76.198    807.026   64.839    80.627  3.5284  76.035  3.1837  4.591469       4.752428 
1 1 1 -26 12  15 o 58.137  2.2837  477.413   34.601    459.742   54.516    489.334   44.776    56.871  3.5974  59.402  2.8142  -2.531101      4.567384 
1 1 1 -26 12  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 12  17 o 35.433  2.2165  171.754   20.193    203.434   33.838    154.232   25.165    37.740  3.3834  33.126  2.8643  4.613239       4.433006 
1 1 1 -26 12  18 o 8.4316  2.4421  3.7119    9.3103    -13.8084  17.368    10.777    11.029    7.5092  3.5049  9.3541  3.4015  -1.844852      4.884151 
1 1 1 -26 12  19 o 16.670  2.9223  37.519    12.361    59.978    22.541    27.861    14.781    19.735  4.3788  13.606  3.8712  6.129467       5.844663 
1 1 1 -26 12  20 o 32.262  2.4767  151.767   19.914    150.861   33.732    152.252   24.672    31.749  4.0596  32.775  2.8384  -1.026432      4.953481 
1 1 1 -26 12  21 o 11.282  2.8875  11.697    10.390    31.227    20.518    4.9606    12.050    14.233  4.6645  8.3314  3.4050  5.901567       5.775073 
1 1 1 -26 12  22 o 28.492  2.6260  118.756   18.560    126.228   31.806    114.897   22.855    28.741  4.2606  28.243  3.0708  0.4986076      5.251932 
1 1 1 -26 12  23 o 19.698  3.0958  58.775    14.917    66.454    27.134    55.449    17.857    20.161  5.0388  19.236  3.5982  0.9250450      6.191638 
1 1 1 -26 12  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 12  25 o 12.002  3.1136  20.782    13.452    7.8302    24.077    26.659    16.219    10.902  4.6568  13.101  4.1342  -2.199093      6.227136 
1 1 1 -26 12  26 o 13.682  3.2023  20.905    13.453    55.159    25.570    7.7937    15.819    17.910  5.0901  9.4541  3.8870  8.456154       6.404513 
1 1 1 -26 12  27 o 9.2574  2.5852  4.2597    11.946    -40.4687  23.203    20.393    13.935    7.0063  3.4544  11.509  3.8472  -4.502236      5.170493 
1 1 1 -26 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 13  3  o 40.832  1.8340  226.825   19.767    241.243   30.449    216.322   25.987    41.898  2.7281  39.765  2.4519  2.133339       3.668030 
1 1 1 -26 13  4  f 14.496  2.3166  29.388    8.4905    32.878    14.317    27.495    10.545    15.089  3.5938  13.903  2.9243  1.185725       4.633281 
1 1 1 -26 13  5  o 8.6449  2.1133  8.7300    6.7636    -4.7397   11.890    15.174    8.2238    6.9342  3.1055  10.356  2.8671  -3.421355      4.226652 
1 1 1 -26 13  6  o 35.531  1.9250  172.758   17.929    181.011   28.015    167.033   23.332    36.176  2.9160  34.886  2.5138  1.289749       3.849948 
1 1 1 -26 13  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 13  8  o 16.394  2.5967  40.270    10.744    33.735    18.242    43.740    13.294    15.181  4.2940  17.607  2.9212  -2.426430      5.193454 
1 1 1 -26 13  9  o 48.251  2.1587  323.784   27.193    319.645   42.730    326.600   35.253    47.814  3.3577  48.688  2.7140  -0.8738022     4.317429 
1 1 1 -26 13  10 o 26.949  2.4181  106.757   15.881    89.514    26.221    116.746   19.957    24.836  4.0837  29.061  2.5910  -4.225653      4.836292 
1 1 1 -26 13  11 o 25.847  2.5334  100.299   15.661    80.047    26.143    111.634   19.558    23.303  4.3484  28.391  2.6008  -5.088491      5.066843 
1 1 1 -26 13  12 o 30.769  2.9337  139.603   19.856    132.710   39.742    141.895   22.922    29.569  5.2082  31.970  2.7021  -2.400599      5.867450 
1 1 1 -26 13  13 o 63.090  2.9234  572.940   43.293    575.380   83.140    572.032   50.711    62.038  5.0471  64.143  2.9516  -2.105034      5.846863 
1 1 1 -26 13  14 o 52.930  2.8493  404.440   35.030    406.162   67.982    403.817   40.874    52.025  4.9377  53.834  2.8447  -1.808697      5.698569 
1 1 1 -26 13  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 13  16 o 22.298  3.1091  72.782    15.532    80.240    32.077    70.497    17.752    22.388  5.4097  22.209  3.0661  0.1790047      6.218153 
1 1 1 -26 13  17 o 9.7757  2.6551  9.8752    10.519    -15.9708  21.882    17.642    11.995    8.4456  3.9394  11.106  3.5608  -2.660173      5.310169 
1 1 1 -26 13  18 o 9.7140  2.6739  3.5930    9.5642    23.067    18.385    -3.6324   11.199    12.680  4.4144  6.7476  3.0185  5.932910       5.347752 
1 1 1 -26 13  19 o 26.083  2.7075  103.443   17.021    94.114    29.081    108.304   20.993    24.602  4.5818  27.564  2.8861  -2.962557      5.415006 
1 1 1 -26 13  20 o 12.015  2.9771  20.639    11.447    17.350    20.702    22.088    13.738    11.853  4.5845  12.177  3.7992  -0.3239708     5.954138 
1 1 1 -26 13  21 o 34.721  2.5530  178.534   22.078    174.337   37.288    180.800   27.397    33.848  4.2033  35.593  2.8989  -1.745277      5.106026 
1 1 1 -26 13  22 o 12.123  3.0052  21.749    12.408    8.2015    22.807    27.446    14.788    10.858  4.5805  13.388  3.8915  -2.530369      6.010394 
1 1 1 -26 13  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 13  24 o 15.514  3.3395  33.704    14.117    57.742    26.706    24.382    16.631    18.413  5.1911  12.615  4.2026  5.798645       6.679019 
1 1 1 -26 13  25 o 10.951  2.8675  14.625    13.247    -19.1682  24.896    27.972    15.646    8.6062  4.0725  13.296  4.0380  -4.689386      5.735021 
1 1 1 -26 13  26 o 11.938  3.2357  19.750    13.386    24.731    25.363    17.827    15.760    12.806  5.0394  11.070  4.0600  1.735434       6.471399 
1 1 1 -26 14  1  o 52.650  1.9956  379.895   27.903    400.413   41.965    363.634   37.357    53.870  2.9193  51.429  2.7216  2.441048       3.991133 
1 1 1 -26 14  2  o 7.1580  2.0600  3.3144    5.7840    1.6600    10.844    3.9723    6.8380    7.5620  3.1726  6.7540  2.6285  0.8079877      4.120006 
1 1 1 -26 14  3  o 10.813  2.0696  16.743    6.1609    18.438    8.3338    14.701    9.1486    11.371  2.7634  10.255  3.0818  1.115966       4.139272 
1 1 1 -26 14  4  o 35.805  1.7188  175.917   16.373    182.967   23.116    168.819   23.195    36.548  2.3743  35.062  2.4859  1.485260       3.437599 
1 1 1 -26 14  5  o 31.014  1.7352  132.152   14.266    121.254   19.903    143.664   20.457    29.668  2.5288  32.360  2.3768  -2.692799      3.470466 
1 1 1 -26 14  6  o 46.703  3.3562  304.993   41.704    304.993   41.704    0.0000    0.0000    46.703  3.3562  ?       ?       ?              ?        
1 1 1 -26 14  7  o 43.508  1.8400  260.236   21.305    239.797   29.600    282.208   30.690    41.703  2.6638  45.312  2.5389  -3.608463      3.679950 
1 1 1 -26 14  8  o 31.172  1.8789  134.345   15.492    121.610   21.543    147.983   22.294    29.599  2.7487  32.746  2.5622  -3.146679      3.757703 
1 1 1 -26 14  9  o 46.182  1.9047  294.506   23.417    271.822   32.664    318.492   33.588    44.310  2.7660  48.055  2.6194  -3.744896      3.809462 
1 1 1 -26 14  10 o 19.429  2.1575  53.557    10.847    50.239    15.116    57.077    15.573    18.774  3.1152  20.083  2.9858  -1.308641      4.315049 
1 1 1 -26 14  11 o 41.298  1.9376  236.850   21.309    237.359   29.948    236.329   30.327    41.355  2.7188  41.242  2.7613  0.1129417      3.875156 
1 1 1 -26 14  12 o 23.475  2.1381  78.050    12.986    65.417    18.032    91.659    18.716    21.376  3.2519  25.574  2.7770  -4.197050      4.276260 
1 1 1 -26 14  13 f 56.869  2.0647  452.410   31.344    453.077   44.230    451.737   44.423    56.918  2.9110  56.819  2.9289  0.9925079E-01  4.129434 
1 1 1 -26 14  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 14  15 o 23.400  2.1551  78.488    13.119    85.511    18.450    71.307    18.657    24.563  2.8578  22.237  3.2266  2.325596       4.310158 
1 1 1 -26 14  16 o 13.662  2.6165  28.051    9.8151    29.256    13.562    26.725    14.223    13.979  3.6002  13.344  3.7976  0.6346684      5.232902 
1 1 1 -26 14  17 o 10.540  2.4920  14.800    8.8575    22.847    12.204    5.8411    12.876    12.384  3.5154  8.6956  3.5330  3.688434       4.983990 
1 1 1 -26 14  18 o 8.5236  2.3528  5.9633    8.1629    12.674    11.487    -0.8811   11.601    9.7995  3.4829  7.2477  3.1641  2.551754       4.705517 
1 1 1 -26 14  19 o 16.190  2.5939  39.701    10.991    37.862    15.421    41.599    15.668    15.782  3.7105  16.598  3.6257  -0.8160162     5.187821 
1 1 1 -26 14  20 o 21.455  2.3760  67.795    13.184    62.593    18.290    73.424    19.023    20.534  3.4476  22.376  3.2705  -1.841545      4.752056 
1 1 1 -26 14  21 o 13.607  2.7427  28.240    10.491    24.886    14.284    32.168    15.459    12.783  3.8528  14.431  3.9045  -1.648073      5.485373 
1 1 1 -26 14  22 o 13.497  4.0466  28.301    15.787    0.0000    0.0000    28.301    15.787    ?       ?       13.497  4.0466  ?              ?        
1 1 1 -26 14  23 o 11.295  2.8113  18.408    10.573    16.801    14.814    20.077    15.096    10.948  3.9482  11.642  4.0031  -0.6942291     5.622544 
1 1 1 -26 14  24 o 10.452  2.6218  13.984    9.8057    4.6701    13.655    23.899    14.090    8.5160  3.5658  12.388  3.8446  -3.872212      5.243622 
1 1 1 -26 14  25 o 13.192  3.4560  19.199    14.033    52.304    30.453    10.273    15.812    16.650  5.6867  9.7344  3.9291  6.916014       6.912043 
1 1 1 -26 15  1  o 31.926  1.7475  140.385   14.778    127.193   20.752    153.958   21.051    30.357  2.5765  33.494  2.3616  -3.136894      3.495076 
1 1 1 -26 15  2  o 19.823  1.9731  55.028    10.154    49.761    14.140    60.634    14.589    18.793  2.9027  20.854  2.6735  -2.060846      3.946269 
1 1 1 -26 15  3  o 11.745  2.2077  19.472    7.2126    13.847    9.8894    25.865    10.542    10.064  3.2338  13.426  3.0062  -3.362246      4.415340 
1 1 1 -26 15  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 15  5  o 21.145  1.9337  62.591    10.674    64.014    14.777    61.039    15.434    21.434  2.6291  20.857  2.8364  0.5768089      3.867454 
1 1 1 -26 15  6  o 18.197  2.0831  47.003    9.7786    48.579    13.478    45.250    14.209    18.574  2.7957  17.821  3.0888  0.7536201      4.166154 
1 1 1 -26 15  7  o 33.968  1.8776  159.592   16.894    143.641   23.405    176.944   24.410    32.151  2.7441  35.786  2.5637  -3.634212      3.755291 
1 1 1 -26 15  8  o 51.366  1.9563  365.467   26.771    337.661   37.265    395.123   38.484    49.301  2.8339  53.431  2.6978  -4.130424      3.912645 
1 1 1 -26 15  9  o 25.774  2.0064  93.006    13.519    80.050    18.703    107.183   19.564    23.810  2.9991  27.737  2.6662  -3.927086      4.012882 
1 1 1 -26 15  10 o 7.5618  2.1429  3.0719    6.9560    8.7216    9.6064    -3.1556   10.086    8.6419  3.1697  6.4817  2.8846  2.160123       4.285765 
1 1 1 -26 15  11 o 33.996  2.0127  162.762   18.049    176.536   25.094    147.999   25.980    35.602  2.6505  32.390  3.0298  3.212025       4.025463 
1 1 1 -26 15  12 o 16.570  2.4645  40.249    10.617    31.714    14.623    49.762    15.439    14.592  3.7278  18.548  3.2247  -3.956707      4.929071 
1 1 1 -26 15  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 15  14 o 33.920  2.0082  162.428   18.051    151.673   25.231    173.703   25.835    32.721  2.9093  35.119  2.7689  -2.398491      4.016300 
1 1 1 -26 15  15 o 9.4965  2.4791  10.734    8.5119    14.666    11.677    6.2765    12.434    10.316  3.5214  8.6766  3.4905  1.639734       4.958206 
1 1 1 -26 15  16 o 38.512  2.0282  210.511   20.743    196.690   28.969    225.053   29.715    37.159  2.9345  39.865  2.8006  -2.706104      4.056436 
1 1 1 -26 15  17 o 15.771  2.5967  37.680    10.968    26.370    15.194    49.985    15.848    13.160  3.9753  18.382  3.3420  -5.221321      5.193462 
1 1 1 -26 15  18 o 17.918  2.5732  48.482    11.925    49.116    16.696    47.821    17.040    18.074  3.5754  17.762  3.7016  0.3118267      5.146378 
1 1 1 -26 15  19 o 17.645  2.5804  46.972    11.861    32.095    16.178    64.260    17.441    14.372  4.0364  20.919  3.2157  -6.546521      5.160735 
1 1 1 -26 15  20 o 15.780  2.6715  38.674    11.572    23.933    16.316    53.597    16.416    12.578  4.1613  18.982  3.3514  -6.403886      5.343062 
1 1 1 -26 15  21 o 10.418  3.8237  14.473    13.983    0.0000    0.0000    14.473    13.983    ?       ?       10.418  3.8237  ?              ?        
1 1 1 -26 15  22 o 17.317  2.7539  47.869    12.630    60.074    17.483    34.546    18.267    19.996  3.3852  14.639  4.3446  5.357036       5.507750 
1 1 1 -26 15  23 o 14.256  2.9288  32.848    11.877    30.410    16.996    35.175    16.605    13.725  4.2165  14.786  4.0660  -1.061317      5.857540 
1 1 1 -26 15  24 o 9.0945  2.4821  6.1549    9.8260    -8.9723   14.309    19.653    13.517    6.8998  3.2074  11.289  3.7890  -4.389399      4.964211 
1 1 1 -26 16  1  o 32.777  1.7934  148.441   15.605    140.201   21.953    156.857   22.186    31.828  2.5978  33.726  2.4732  -1.898165      3.586802 
1 1 1 -26 16  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 16  3  o 25.295  2.0996  89.613    13.693    91.280    21.547    88.484    17.734    25.382  3.2435  25.207  2.6671  0.1744804      4.199255 
1 1 1 -26 16  4  o 23.456  1.9921  77.033    12.080    62.335    16.636    93.430    17.570    20.973  3.0508  25.939  2.5625  -4.966061      3.984179 
1 1 1 -26 16  5  o 33.249  1.8396  153.048   16.237    144.607   22.545    162.144   23.404    32.280  2.6304  34.218  2.5724  -1.937794      3.679182 
1 1 1 -26 16  6  o 22.838  2.0648  73.581    12.196    61.272    16.919    86.897    17.597    20.731  3.1458  24.946  2.6754  -4.214445      4.129591 
1 1 1 -26 16  7  o 28.223  1.9771  112.075   14.652    120.349   20.245    102.974   21.233    29.415  2.5963  27.031  2.9824  2.384071       3.954179 
1 1 1 -26 16  8  o 38.214  1.9414  203.267   19.706    188.031   27.273    219.909   28.503    36.684  2.7968  39.745  2.6934  -3.060863      3.882824 
1 1 1 -26 16  9  o 13.712  2.2661  26.486    9.2027    7.4260    12.606    48.237    13.466    9.0000  3.5492  18.423  2.8185  -9.423456      4.532203 
1 1 1 -26 16  10 o 24.425  2.1382  85.275    13.598    91.657    18.829    78.319    19.659    25.494  2.8037  23.355  3.2290  2.139200       4.276375 
1 1 1 -26 16  11 o 15.273  2.5274  34.519    10.192    29.059    14.030    40.620    14.830    13.946  3.6963  16.601  3.4480  -2.654336      5.054819 
1 1 1 -26 16  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 16  13 o 34.530  2.0405  169.425   18.564    146.915   25.998    192.843   26.517    32.049  3.0660  37.010  2.6934  -4.961761      4.081025 
1 1 1 -26 16  14 o 14.152  2.6953  30.418    10.469    27.388    14.595    33.629    15.027    13.431  3.8550  14.872  3.7679  -1.440563      5.390545 
1 1 1 -26 16  15 o 20.570  2.4428  62.826    12.893    52.972    18.046    73.100    18.426    18.729  3.7285  22.410  3.1571  -3.681929      4.885599 
1 1 1 -26 16  16 o 44.443  2.0705  282.262   24.496    270.742   34.505    293.967   34.781    43.475  2.9811  45.411  2.8743  -1.935894      4.141090 
1 1 1 -26 16  17 o 14.803  2.6802  34.229    11.004    43.871    15.182    23.556    15.973    17.104  3.4333  12.501  4.1165  4.602547       5.360299 
1 1 1 -26 16  18 o 16.569  2.7144  42.498    11.826    46.078    16.381    38.601    17.090    17.420  3.6286  15.717  4.0380  1.702453       5.428821 
1 1 1 -26 16  19 o 6.4645  2.0554  -7.2393   7.8217    -16.0093  10.718    2.7520    11.440    5.1977  2.5147  7.7314  3.2519  -2.533722      4.110815 
1 1 1 -26 16  20 o 12.329  4.1306  23.152    16.064    0.0000    0.0000    23.152    16.064    ?       ?       12.329  4.1306  ?              ?        
1 1 1 -26 16  21 o 29.088  2.3152  126.376   17.418    147.345   24.515    105.001   24.751    31.857  2.9050  26.319  3.6058  5.538097       4.630412 
1 1 1 -26 16  22 o 19.992  2.6433  62.241    13.619    61.634    18.785    62.914    19.774    19.951  3.6498  20.033  3.8246  -0.8204460E-01 5.286631 
1 1 1 -26 16  23 o 12.481  2.7149  23.331    11.093    8.3788    15.390    39.505    16.005    9.3162  3.8325  15.645  3.8464  -6.328964      5.429811 
1 1 1 -26 17  1  o 10.352  2.1440  14.056    7.5311    25.932    10.170    -0.3631   11.206    13.416  2.9136  7.2886  3.1461  6.127694       4.287969 
1 1 1 -26 17  2  o 40.553  1.8296  227.947   19.766    230.175   27.797    225.669   28.113    40.769  2.5585  40.337  2.6161  0.4325905      3.659251 
1 1 1 -26 17  3  o 53.701  1.9152  399.913   27.480    381.428   38.485    419.143   39.253    52.373  2.7531  55.029  2.6631  -2.656189      3.830392 
1 1 1 -26 17  4  o 32.352  1.8822  145.708   16.158    140.633   22.452    151.160   23.271    31.764  2.6635  32.940  2.6602  -1.176138      3.764397 
1 1 1 -26 17  5  o 19.454  2.2173  54.415    11.123    56.226    15.284    52.375    16.217    19.872  2.9620  19.035  3.3003  0.8372211      4.434578 
1 1 1 -26 17  6  o 8.5740  2.2872  7.0497    7.2157    3.2590    9.4337    12.394    11.202    7.3614  3.0112  9.7866  3.4435  -2.425187      4.574362 
1 1 1 -26 17  7  o 29.267  2.0216  120.505   15.630    116.271   21.537    125.217   22.720    28.732  2.8355  29.802  2.8822  -1.070002      4.043164 
1 1 1 -26 17  8  o 9.6468  2.1929  8.3047    8.3253    25.055    11.411    -10.7616  12.174    13.048  3.2711  6.2455  2.9214  6.802540       4.385792 
1 1 1 -26 17  9  o 14.045  2.4493  28.203    9.8885    12.680    13.396    46.787    14.658    10.139  3.7394  17.950  3.1643  -7.811114      4.898572 
1 1 1 -26 17  10 o 23.588  2.5238  82.974    15.029    74.310    23.216    89.223    19.717    22.203  4.0533  24.974  3.0081  -2.771704      5.047562 
1 1 1 -26 17  11 o 13.506  2.8883  27.897    11.193    29.529    13.999    25.004    18.634    13.986  3.6853  13.027  4.4483  0.9593058      5.776588 
1 1 1 -26 17  12 o 22.370  2.3012  72.912    13.364    67.916    18.541    78.315    19.280    21.523  3.3231  23.217  3.1842  -1.693462      4.602397 
1 1 1 -26 17  13 o 21.144  2.4140  65.901    13.165    58.732    18.148    73.863    19.126    19.837  3.5457  22.452  3.2770  -2.615831      4.828094 
1 1 1 -26 17  14 f 7.9755  2.2524  0.3436    8.2577    -11.8563  11.353    14.046    12.032    5.8077  2.7488  10.143  3.5689  -4.335632      4.504743 
1 1 1 -26 17  15 o 29.390  2.1833  125.547   16.839    137.670   23.755    113.302   23.874    30.962  2.8981  27.818  3.2663  3.144011       4.366667 
1 1 1 -26 17  16 o 12.061  2.7508  21.861    10.298    26.525    14.203    16.691    14.953    13.132  3.8128  10.990  3.9662  2.141376       5.501628 
1 1 1 -26 17  17 o 22.692  2.4686  77.015    14.509    79.143    20.300    74.793    20.746    23.087  3.3831  22.297  3.5960  0.7900219      4.937249 
1 1 1 -26 17  18 o 11.042  2.7833  16.294    10.692    9.1976    14.732    24.193    15.543    9.5356  3.8123  12.549  4.0564  -3.013740      5.566694 
1 1 1 -26 17  19 o 10.419  4.0214  13.476    15.903    0.0000    0.0000    13.476    15.903    ?       ?       10.419  4.0214  ?              ?        
1 1 1 -26 17  20 o 19.741  2.7339  61.549    13.897    44.105    19.416    79.876    19.901    16.409  4.3479  23.074  3.3154  -6.664904      5.467743 
1 1 1 -26 17  21 o 22.357  2.6075  77.668    15.068    79.582    21.472    75.811    21.150    22.652  3.6641  22.063  3.7108  0.5896149      5.214944 
1 1 1 -26 17  22 o 10.581  2.5718  11.306    10.466    -5.9175   14.092    32.489    15.628    7.1198  3.2639  14.043  3.9754  -6.922835      5.143603 
1 1 1 -26 18  1  o 22.102  2.1617  69.757    12.440    72.776    17.533    66.697    17.653    22.631  2.9637  21.573  3.1477  1.057770       4.323409 
1 1 1 -26 18  2  o 7.8083  2.0901  0.3770    6.9884    -10.4291  9.1938    15.164    10.755    5.2040  2.4661  10.413  3.3752  -5.208480      4.180140 
1 1 1 -26 18  3  o 19.448  2.2726  54.488    11.399    49.164    15.707    60.412    16.568    18.385  3.3113  20.511  3.1135  -2.126171      4.545161 
1 1 1 -26 18  4  f 14.853  2.3956  31.858    10.062    12.989    13.689    54.033    14.841    10.268  3.7811  19.437  2.9426  -9.168924      4.791248 
1 1 1 -26 18  5  o 13.444  2.6694  27.098    10.027    29.021    13.666    24.855    14.757    13.947  3.6248  12.941  3.9197  1.006677       5.338797 
1 1 1 -26 18  6  o 26.274  2.1966  100.290   14.751    120.572   20.611    78.988    21.122    29.293  2.6558  23.254  3.4996  6.038822       4.393203 
1 1 1 -26 18  7  o 24.727  2.1879  88.402    14.021    98.197    19.485    77.884    20.193    26.318  2.8074  23.135  3.3566  3.182922       4.375863 
1 1 1 -26 18  8  o 9.0423  2.4621  8.3707    8.4224    5.6106    11.297    11.825    12.637    8.2802  3.3285  9.8044  3.6288  -1.524209      4.924124 
1 1 1 -26 18  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 18  10 o 8.8453  2.4344  7.8922    8.4405    11.336    11.405    3.7230    12.550    9.4660  3.4565  8.2246  3.4289  1.241378       4.868783 
1 1 1 -26 18  11 o 28.607  2.1895  119.033   16.377    129.696   22.736    107.534   23.610    30.115  2.8527  27.099  3.3224  3.016104       4.379024 
1 1 1 -26 18  12 o 16.754  2.6080  42.641    11.667    26.084    15.946    61.710    17.113    13.035  4.0974  20.473  3.2277  -7.437607      5.216043 
1 1 1 -26 18  13 o 16.198  2.7375  40.243    11.793    32.223    16.067    49.609    17.363    14.366  4.0181  18.030  3.7190  -3.663375      5.475024 
1 1 1 -26 18  14 o 22.608  2.5023  76.722    14.383    58.931    19.887    96.234    20.826    19.529  3.9377  25.688  3.0888  -6.158588      5.004607 
1 1 1 -26 18  15 o 32.375  2.2117  152.773   18.938    149.927   26.605    155.696   26.962    32.058  3.1387  32.691  3.1170  -0.6330566     4.423450 
1 1 1 -26 18  16 o 13.003  2.8678  26.288    11.217    30.875    15.594    21.370    16.147    14.031  3.9707  11.975  4.1388  2.056027       5.735521 
1 1 1 -26 18  17 o 21.192  2.5890  68.504    14.164    67.694    19.893    69.338    20.170    21.064  3.6586  21.320  3.6642  -0.2557125     5.178016 
1 1 1 -26 18  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 18  19 o 15.430  2.9536  38.874    12.528    41.762    17.773    36.023    17.662    16.039  4.1164  14.822  4.2368  1.217043       5.907201 
1 1 1 -26 18  20 o 9.0656  2.6034  6.6274    10.327    -1.7050   14.569    15.043    14.641    7.7544  3.4577  10.377  3.8929  -2.622392      5.206813 
1 1 1 -26 19  1  o 35.735  1.9331  179.847   18.325    191.156   25.861    168.442   25.971    36.932  2.6314  34.537  2.8324  2.395313       3.866104 
1 1 1 -26 19  2  o 17.947  2.4450  47.526    11.288    35.942    15.546    60.442    16.416    15.431  3.7890  20.464  3.0913  -5.032301      4.890031 
1 1 1 -26 19  3  o 8.8243  2.4844  6.8370    8.7025    5.5753    11.356    8.6326    13.547    8.2957  3.3363  9.3530  3.6822  -1.057211      4.968854 
1 1 1 -26 19  4  o 23.417  2.2009  79.226    13.423    81.694    18.551    76.513    19.446    23.881  2.9640  22.952  3.2543  0.9285145      4.401742 
1 1 1 -26 19  5  o 24.479  2.1831  86.300    13.977    81.041    19.471    91.891    20.076    23.666  3.1499  25.291  3.0236  -1.624983      4.366250 
1 1 1 -26 19  6  o 39.342  2.0307  219.961   21.244    218.146   29.636    221.880   30.470    39.198  2.8420  39.487  2.9012  -0.2888565     4.061321 
1 1 1 -26 19  7  o 23.282  3.2337  79.138    19.621    0.0000    0.0000    79.138    19.621    ?       ?       23.282  3.2337  ?              ?        
1 1 1 -26 19  8  o 16.539  3.5723  41.337    15.362    41.337    15.362    0.0000    0.0000    16.539  3.5723  ?       ?       ?              ?        
1 1 1 -26 19  9  o 18.437  2.5546  51.150    12.144    42.004    16.655    61.534    17.745    16.515  3.8381  20.359  3.3723  -3.843758      5.109117 
1 1 1 -26 19  10 o 9.3766  2.5820  9.5700    9.2820    8.3711    12.416    11.089    13.975    8.9796  3.5284  9.7737  3.7704  -0.7940693     5.163929 
1 1 1 -26 19  11 o 33.539  2.1915  163.417   19.029    126.144   26.199    205.037   27.684    29.185  3.4160  37.893  2.7463  -8.707302      4.383042 
1 1 1 -26 19  12 o 9.0237  2.5130  5.9677    9.4907    -3.0857   13.032    16.191    13.849    7.3022  3.2622  10.745  3.8236  -3.442898      5.026084 
1 1 1 -26 19  13 o 12.454  2.6421  22.943    10.712    37.208    14.801    7.2473    15.524    15.553  3.6205  9.3556  3.8490  6.197792       5.284240 
1 1 1 -26 19  14 o 11.587  2.8224  19.743    10.663    16.781    14.878    22.871    15.291    10.940  3.9550  12.233  4.0276  -1.292849      5.644781 
1 1 1 -26 19  15 o 9.0160  2.5646  5.6879    10.096    15.013    14.110    -4.0941   14.451    10.487  3.8423  7.5451  3.3978  2.941800       5.129127 
1 1 1 -26 19  16 o 27.586  2.3955  113.964   17.183    98.801    23.953    130.040   24.663    25.486  3.6098  29.686  3.1499  -4.200367      4.790902 
1 1 1 -26 19  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 19  18 o 5.5082  1.8956  -20.7036  8.5437    -28.1084  11.095    -9.9153   13.392    4.4676  2.2332  6.5488  3.0636  -2.081229      3.791125 
1 1 1 -26 19  19 o 8.2745  2.5218  2.9560    10.152    3.3867    14.131    2.4967    14.594    8.2872  3.5544  8.2619  3.5781  0.2529240E-01  5.043513 
1 1 1 -26 20  1  o 10.020  2.5254  12.998    8.4657    10.882    11.080    15.966    13.122    9.3147  3.4060  10.726  3.7296  -1.411348      5.050844 
1 1 1 -26 20  2  o 26.314  2.1470  100.299   14.745    109.935   20.598    90.171    21.117    27.762  2.8087  24.866  3.2481  2.895178       4.294055 
1 1 1 -26 20  3  o 11.789  2.7778  20.423    10.275    21.506    13.833    19.090    15.348    12.010  3.8210  11.568  4.0330  0.4417887      5.555656 
1 1 1 -26 20  4  o 10.590  2.3289  13.260    9.2950    29.944    12.452    -7.7387   13.969    14.117  3.3444  7.0624  3.2420  7.054881       4.657810 
1 1 1 -26 20  5  o 22.427  2.6757  77.349    15.155    68.538    23.228    83.880    19.998    20.917  4.2900  23.938  3.1989  -3.021681      5.351402 
1 1 1 -26 20  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 20  7  o 19.545  2.5446  58.064    12.668    38.646    17.397    79.984    18.484    15.655  4.1002  23.434  3.0146  -7.779357      5.089149 
1 1 1 -26 20  8  o 15.885  2.8113  39.722    11.931    41.564    16.260    37.575    17.560    16.388  3.7813  15.383  4.1612  1.004920       5.622638 
1 1 1 -26 20  9  o 21.492  2.4999  69.667    13.884    69.296    19.320    70.063    19.966    21.469  3.4788  21.515  3.5911  -0.4672813E-01 4.999815 
1 1 1 -26 20  10 o 14.911  2.4999  31.794    11.549    6.1521    15.555    63.289    17.240    9.1817  3.8218  20.641  3.2236  -11.45931      4.999796 
1 1 1 -26 20  11 o 27.463  2.3037  111.726   16.576    113.915   22.891    109.313   24.033    27.853  3.1221  27.074  3.3884  0.7784767      4.607475 
1 1 1 -26 20  12 o 6.8098  2.1900  -5.3311   8.7475    -4.3462   12.422    -6.3000   12.320    6.9427  3.1361  6.6768  3.0575  0.2659535      4.379910 
1 1 1 -26 20  13 o 18.770  2.7849  55.240    13.554    52.799    18.962    57.791    19.382    18.306  3.9807  19.234  3.8958  -0.9281693     5.569813 
1 1 1 -26 20  14 o 10.559  2.7618  14.003    10.862    5.1563    15.265    23.075    15.458    8.9222  3.7548  12.196  4.0511  -3.273626      5.523620 
1 1 1 -26 20  15 o 25.137  2.5561  97.036    16.499    80.928    23.071    113.895   23.603    22.680  3.9408  27.593  3.2563  -4.913012      5.112132 
1 1 1 -26 20  16 o 16.653  4.2212  45.750    18.853    45.750    18.853    0.0000    0.0000    16.653  4.2212  ?       ?       ?              ?        
1 1 1 -26 20  17 o 16.290  3.0122  44.896    13.501    53.459    18.934    36.040    19.256    18.095  4.0119  14.485  4.4943  3.610190       6.024454 
1 1 1 -26 20  18 o 10.478  2.8930  14.760    11.768    10.221    15.801    20.413    17.634    9.5455  3.9000  11.411  4.2740  -1.865336      5.785907 
1 1 1 -26 21  1  f 25.470  2.2825  96.045    14.973    111.559   21.057    80.179    21.295    27.823  2.8666  23.118  3.5528  4.705570       4.565048 
1 1 1 -26 21  2  o 13.630  2.7924  29.241    10.976    34.471    14.902    23.039    16.226    14.928  3.7359  12.332  4.1514  2.595848       5.584838 
1 1 1 -26 21  3  o 12.489  3.9817  23.969    15.014    0.0000    0.0000    23.969    15.014    ?       ?       12.489  3.9817  ?              ?        
1 1 1 -26 21  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 21  5  f 18.078  2.6830  50.493    12.566    47.665    17.282    53.664    18.304    17.530  3.7908  18.625  3.7979  -1.094238      5.366051 
1 1 1 -26 21  6  o 9.2030  2.4845  7.4480    9.5630    18.409    12.895    -5.9492   14.256    11.126  3.7003  7.2804  3.3166  3.845262       4.969091 
1 1 1 -26 21  7  o 10.583  2.3998  10.299    9.6798    -8.7351   13.159    32.740    14.289    6.6593  3.0888  14.506  3.6737  -7.846405      4.799669 
1 1 1 -26 21  8  o 10.644  2.7525  14.689    10.344    9.1193    13.767    21.911    15.676    9.2971  3.6955  11.990  4.0801  -2.693319      5.504910 
1 1 1 -26 21  9  o 9.5562  2.6261  9.0747    9.9222    2.1691    13.354    17.586    14.826    8.0690  3.4579  11.043  3.9533  -2.974278      5.252228 
1 1 1 -26 21  10 o 13.065  2.9281  26.790    11.515    23.073    15.680    31.143    16.966    12.215  4.0809  13.916  4.2002  -1.701084      5.856240 
1 1 1 -26 21  11 o 19.523  2.7865  59.930    14.068    52.455    19.608    67.858    20.194    18.092  4.1364  20.955  3.7349  -2.863270      5.573090 
1 1 1 -26 21  12 o 13.661  2.9380  30.268    11.828    34.167    16.138    25.742    17.386    14.584  4.0077  12.738  4.2970  1.845731       5.875922 
1 1 1 -26 21  13 o 22.965  2.7124  83.046    15.973    89.931    21.970    75.325    23.265    24.287  3.4765  21.643  4.1644  2.643496       5.424780 
1 1 1 -26 21  14 o 20.558  6.4719  88.108    39.767    0.0000    0.0000    88.108    39.767    ?       ?       20.558  6.4719  ?              ?        
1 1 1 -26 21  15 o 20.929  2.8466  70.840    15.362    64.279    21.147    78.172    22.354    19.793  4.1228  22.065  3.9261  -2.272724      5.693146 
1 1 1 -26 21  16 o 8.5967  2.5580  0.8803    10.458    -9.7059   13.570    16.367    16.413    6.5536  3.0716  10.640  4.0912  -4.086138      5.115926 
1 1 1 -26 22  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 22  2  o 18.005  4.3744  52.895    20.888    52.895    20.888    0.0000    0.0000    18.005  4.3744  ?       ?       ?              ?        
1 1 1 -26 22  3  o 20.174  2.6663  62.994    13.864    58.175    19.101    68.359    20.154    19.300  3.8301  21.048  3.7105  -1.748358      5.332694 
1 1 1 -26 22  4  o 26.470  2.3439  104.690   16.181    93.914    22.498    116.237   23.289    24.923  3.4639  28.016  3.1586  -3.093733      4.687813 
1 1 1 -26 22  5  o 13.566  2.8697  28.871    11.538    20.312    15.823    38.590    16.861    11.622  4.0922  15.509  4.0242  -3.887282      5.739361 
1 1 1 -26 22  6  o 14.531  2.9862  34.407    12.346    36.825    17.266    31.877    17.660    15.073  4.1468  13.990  4.2980  1.082718       5.972329 
1 1 1 -26 22  7  o 13.448  2.8559  28.297    11.659    17.378    16.183    40.079    16.811    11.070  4.1046  15.826  3.9719  -4.756161      5.711706 
1 1 1 -26 22  8  o 9.8756  2.7247  9.6800    10.743    1.6781    14.342    19.907    16.214    8.2041  3.5501  11.547  4.1343  -3.342993      5.449369 
1 1 1 -26 22  9  o 14.252  2.7432  32.459    12.364    52.266    17.029    10.375    17.981    18.382  3.5876  10.123  4.1509  8.258641       5.486431 
1 1 1 -26 22  10 o 10.952  2.7532  16.140    11.199    27.652    15.213    2.5185    16.548    13.130  3.9804  8.7731  3.8049  4.356969       5.506395 
1 1 1 -26 22  11 o 26.801  2.5722  110.511   17.770    92.086    24.436    131.191   25.889    24.144  3.9126  29.458  3.3402  -5.313852      5.144475 
1 1 1 -26 22  12 o 8.3737  2.5400  3.3023    10.187    4.0263    13.787    2.4319    15.117    8.3436  3.5429  8.4038  3.6407  -0.6021976E-01 5.080014 
1 1 1 -26 22  13 o 14.707  6.0354  41.554    38.051    41.554    38.051    0.0000    0.0000    14.707  6.0354  ?       ?       ?              ?        
1 1 1 -26 22  14 o 17.466  3.0404  51.781    14.267    41.026    19.406    64.432    21.047    15.289  4.4620  19.643  4.1312  -4.354818      6.080772 
1 1 1 -26 23  1  o 14.526  2.9051  34.967    12.503    46.631    17.089    21.533    18.340    17.140  3.8200  11.912  4.3780  5.228490       5.810248 
1 1 1 -26 23  2  f 31.452  2.2775  147.834   18.909    143.785   26.366    152.122   27.133    31.005  3.2219  31.899  3.2197  -0.8942699     4.554918 
1 1 1 -26 23  3  o 26.372  2.4114  105.852   16.554    111.453   22.929    99.755    23.925    27.291  3.1973  25.453  3.6106  1.837954       4.822770 
1 1 1 -26 23  4  o 24.279  2.5408  90.304    15.923    78.161    21.798    104.197   23.316    22.358  3.7743  26.201  3.4027  -3.842667      5.081674 
1 1 1 -26 23  5  f 10.630  2.8259  15.632    10.874    14.939    14.608    16.493    16.284    10.404  3.8914  10.857  4.0988  -0.4533281     5.651819 
1 1 1 -26 23  6  f 14.567  3.0382  35.396    12.859    40.946    17.625    29.080    18.803    15.832  4.1175  13.303  4.4688  2.528787       6.076499 
1 1 1 -26 23  7  o 8.9334  2.6401  5.5136    10.556    1.6930    14.117    10.360    15.900    8.1131  3.5164  9.7538  3.9389  -1.640706      5.280206 
1 1 1 -26 23  8  o 22.926  2.7272  83.000    16.120    82.339    22.097    83.753    23.569    22.942  3.7236  22.910  3.9856  0.3181839E-01  5.454405 
1 1 1 -26 23  9  o 10.104  2.8215  12.768    11.302    14.678    15.075    10.316    17.077    10.338  3.9339  9.8689  4.0458  0.4693747      5.643050 
1 1 1 -26 23  10 o 10.829  2.9103  16.890    11.687    18.609    16.189    15.019    16.889    11.116  4.1086  10.542  4.1231  0.5737553      5.820688 
1 1 1 -26 23  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -26 23  12 o 12.496  3.0581  25.296    12.750    16.445    17.062    36.491    19.188    10.652  4.1502  14.341  4.4925  -3.689077      6.116144 
1 1 1 -26 23  13 o 10.610  2.6097  11.961    11.682    34.773    15.978    -14.2383  17.124    14.219  4.0177  7.0008  3.3316  7.217984       5.219321 
1 1 1 -26 24  1  o 21.632  2.6816  74.116    14.944    74.497    20.572    73.690    21.746    21.812  3.6502  21.453  3.9293  0.3596687      5.363139 
1 1 1 -26 24  2  o 31.921  2.3559  154.645   19.832    152.919   27.489    156.519   28.640    31.797  3.2744  32.046  3.3881  -0.2483521     4.711771 
1 1 1 -26 24  3  o 11.374  2.9186  19.746    11.516    21.890    15.350    16.986    17.419    11.777  4.0373  10.972  4.2157  0.8057470      5.837123 
1 1 1 -26 24  4  o 21.280  2.9329  75.187    16.005    91.175    22.162    57.760    23.139    24.298  3.5068  18.262  4.7023  6.036938       5.865899 
1 1 1 -26 24  5  o 13.767  3.0897  31.753    12.745    29.508    17.144    34.526    19.055    13.313  4.2557  14.221  4.4804  -0.9075041     6.179413 
1 1 1 -26 24  6  o 10.235  2.7582  11.737    11.760    24.917    15.861    -4.3531   17.525    12.364  4.1035  8.1055  3.6866  4.258481       5.516310 
1 1 1 -26 24  7  o 11.337  3.0187  19.454    12.430    18.508    16.779    20.606    18.504    11.104  4.1671  11.569  4.3688  -0.4659004     6.037489 
1 1 1 -26 24  8  o 5.4996  1.8930  -19.4075  8.9963    -12.9540  11.514    -29.5218  14.415    5.6375  2.6963  5.3616  2.6578  0.2758746      3.785987 
1 1 1 -26 24  9  f 11.690  5.1220  15.669    30.647    0.0000    0.0000    15.669    30.647    ?       ?       11.690  5.1220  ?              ?        
1 1 1 -26 24  10 o 14.198  3.3635  36.399    14.782    32.086    18.918    43.159    23.687    13.403  4.4826  14.993  5.0158  -1.590026      6.726972 
1 1 1 -26 24  11 o 5.4702  1.8904  -20.1539  8.9541    -25.0016  11.935    -13.9110  13.543    4.8456  2.4048  6.0948  2.9174  -1.249185      3.780789 
1 1 1 -26 25  1  o 24.185  2.7395  93.794    16.844    72.761    23.222    117.146   24.470    20.818  4.3067  27.552  3.3870  -6.734299      5.479011 
1 1 1 -26 25  2  o 12.284  3.0589  22.246    12.895    11.312    16.766    38.079    20.176    9.8800  4.0248  14.688  4.6076  -4.808247      6.117897 
1 1 1 -26 25  3  o 17.191  3.0177  49.794    14.122    36.167    19.185    65.908    20.863    14.378  4.4902  20.005  4.0329  -5.626484      6.035404 
1 1 1 -26 25  4  o 11.810  2.8400  16.170    12.083    -0.7371   15.462    42.685    19.364    7.9851  3.5613  15.634  4.4248  -7.649399      5.679911 
1 1 1 -26 25  5  o 14.530  3.2204  37.672    13.948    38.604    19.158    36.619    20.347    14.783  4.4635  14.276  4.6434  0.5066910      6.440813 
1 1 1 -26 25  6  o 11.460  3.0499  21.108    12.655    21.719    16.489    20.233    19.742    11.526  4.1641  11.393  4.4574  0.1322441      6.099807 
1 1 1 -26 25  7  o 8.4455  3.7806  0.2885    17.599    0.0000    0.0000    0.2885    17.599    ?       ?       8.4455  3.7806  ?              ?        
1 1 1 -26 25  8  o 18.932  4.4085  63.796    21.939    63.796    21.939    0.0000    0.0000    18.932  4.4085  ?       ?       ?              ?        
1 1 1 -26 26  1  o 9.4416  2.8058  7.7151    11.974    2.0254    15.647    15.755    18.601    8.2880  3.6449  10.595  4.2668  -2.307166      5.611653 
1 1 1 -26 26  2  o 9.7580  2.7354  8.1027    12.565    24.977    16.400    -15.8778  19.551    12.095  4.1717  7.4211  3.5393  4.673895       5.470791 
1 1 1 -26 26  3  o 9.6506  2.8279  9.5154    11.996    3.2190    15.808    18.062    18.418    8.4313  3.6867  10.870  4.2890  -2.438519      5.655778 
1 1 1 -26 26  4  o 9.9350  2.7909  4.0845    12.470    -14.4870  16.103    31.905    19.709    6.7092  3.2032  13.161  4.5712  -6.451654      5.581832 
1 1 1 -26 26  5  o 11.662  5.1426  19.801    31.348    0.0000    0.0000    19.801    31.348    ?       ?       11.662  5.1426  ?              ?        
1 1 1 -26 26  6  o 10.316  4.1700  15.964    17.840    15.964    17.840    0.0000    0.0000    10.316  4.1700  ?       ?       ?              ?        
1 1 1 -26 27  1  o 12.561  3.0802  26.325    13.648    10.848    18.215    46.138    20.609    9.6184  4.0775  15.504  4.6179  -5.885182      6.160443 
1 1 1 -26 27  2  o 16.229  4.9105  53.167    23.170    0.0000    0.0000    53.167    23.170    ?       ?       16.229  4.9105  ?              ?        
1 1 1 -26 27  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -20 8  o 10.821  3.0040  12.459    12.333    16.336    20.424    10.234    15.471    11.680  4.5436  9.9627  3.9310  1.717155       6.008081 
1 1 1 -25 -20 9  o 32.721  2.5732  156.734   21.994    181.090   31.960    134.825   30.313    35.312  3.4220  30.130  3.8437  5.181892       5.146307 
1 1 1 -25 -20 10 o 13.859  3.0237  28.650    14.542    1.5035    22.951    46.856    18.796    10.228  4.4582  17.490  4.0859  -7.261546      6.047368 
1 1 1 -25 -20 11 o 16.514  3.2316  44.406    15.718    25.136    24.394    58.087    20.554    13.476  5.0309  19.553  4.0574  -6.077427      6.463202 
1 1 1 -25 -20 12 o 20.884  3.1491  67.236    16.898    68.578    26.124    66.270    22.158    20.865  4.7774  20.903  4.1041  -0.3859901E-01 6.298222 
1 1 1 -25 -20 13 o 15.994  3.2527  41.410    15.233    26.978    24.468    50.545    19.466    13.780  5.0580  18.208  4.0912  -4.428356      6.505449 
1 1 1 -25 -20 14 o 12.390  3.0031  9.0595    13.368    46.648    23.475    -8.9774   16.262    17.143  4.8789  7.6369  3.5028  9.505919       6.006148 
1 1 1 -25 -20 15 o 29.670  2.7888  130.751   21.526    130.752   31.782    130.751   29.259    29.533  4.1308  29.806  3.7478  -0.2735882     5.577576 
1 1 1 -25 -20 16 o 25.527  2.9317  97.500    18.968    128.475   28.105    71.590    25.706    29.623  3.6173  21.432  4.6145  8.191521       5.863329 
1 1 1 -25 -20 17 o 35.500  2.6481  185.600   24.680    178.992   36.134    191.377   33.789    34.725  3.9556  36.276  3.5218  -1.551678      5.296195 
1 1 1 -25 -20 18 o 56.197  2.4360  456.255   36.348    507.546   52.195    407.961   50.647    59.450  3.2907  52.943  3.5929  6.507523       4.872071 
1 1 1 -25 -20 19 o 49.104  2.4613  349.617   32.013    392.430   46.112    309.785   44.478    52.188  3.3160  46.020  3.6380  6.167736       4.922547 
1 1 1 -25 -20 20 o 30.915  2.8521  143.623   23.037    145.140   33.242    142.221   31.955    31.018  4.1018  30.812  3.9639  0.2058926      5.704135 
1 1 1 -25 -19 3  o 23.986  2.7656  86.757    17.063    85.893    25.367    87.471    23.058    23.717  4.1440  24.255  3.6634  -0.5387249     5.531126 
1 1 1 -25 -19 4  o 20.303  2.9999  64.127    15.744    55.773    23.192    71.267    21.440    18.788  4.6369  21.818  3.8074  -3.029406      5.999735 
1 1 1 -25 -19 5  o 15.272  3.2381  35.624    14.264    42.721    21.631    30.163    18.973    16.474  4.6816  14.070  4.4749  2.404037       6.476258 
1 1 1 -25 -19 6  o 11.464  2.9500  13.408    12.233    29.824    19.382    2.5379    15.771    14.043  4.5288  8.8853  3.7814  5.157429       5.899908 
1 1 1 -25 -19 7  o 8.1694  3.7032  -36.7285  9.1700    -7.1060   17.497    -47.9460  10.767    8.1694  3.7032  ?       ?       ?              ?        
1 1 1 -25 -19 8  o 53.777  2.2662  411.213   32.463    431.796   46.032    390.848   45.789    55.195  3.1265  52.359  3.2815  2.835716       4.532499 
1 1 1 -25 -19 9  o 46.726  2.2784  310.469   28.341    310.491   40.190    310.448   39.972    46.720  3.2315  46.732  3.2129  -0.1217651E-01 4.556880 
1 1 1 -25 -19 10 o 18.485  3.1159  53.052    15.165    46.763    23.252    57.708    20.005    17.308  4.8312  19.661  3.9362  -2.352371      6.231712 
1 1 1 -25 -19 11 o 10.748  2.9434  11.604    12.811    -3.7256   21.300    20.293    16.036    9.4460  4.1985  12.049  4.1265  -2.603005      5.886872 
1 1 1 -25 -19 12 o 23.913  2.9140  83.767    17.788    107.771   26.917    65.156    23.702    27.133  3.8086  20.692  4.4113  6.441061       5.827952 
1 1 1 -25 -19 13 o 27.928  2.7902  114.307   19.588    153.726   28.903    80.818    26.640    32.781  3.3383  23.074  4.4719  9.707043       5.580492 
1 1 1 -25 -19 14 o 21.661  3.0320  70.013    16.885    78.977    25.554    63.066    22.496    22.886  4.3271  20.436  4.2483  2.449989       6.063996 
1 1 1 -25 -19 15 o 18.774  3.2364  51.438    17.036    85.062    26.199    26.805    22.424    23.804  4.2659  13.744  4.8682  10.05937       6.472817 
1 1 1 -25 -19 16 o 17.050  3.0409  45.272    16.316    9.3653    24.126    75.534    22.149    11.446  4.7616  22.653  3.7837  -11.20736      6.081872 
1 1 1 -25 -19 17 o 51.029  2.3895  371.074   32.367    412.172   46.785    333.345   44.826    53.853  3.2588  48.204  3.4956  5.648880       4.778956 
1 1 1 -25 -19 18 o 26.761  2.9464  108.338   20.040    88.138    28.953    126.916   27.767    23.940  4.6830  29.581  3.5771  -5.641207      5.892889 
1 1 1 -25 -19 19 o 42.965  2.4501  264.833   27.923    281.284   40.576    250.034   38.485    44.247  3.4510  41.682  3.4789  2.565388       4.900251 
1 1 1 -25 -19 20 o 22.587  3.3044  78.992    19.298    79.645    28.239    78.421    26.434    22.585  4.8151  22.589  4.5266  -0.3822327E-02 6.608716 
1 1 1 -25 -19 21 o 32.597  2.6512  155.104   22.644    172.760   33.206    139.757   30.958    34.404  3.6596  30.790  3.8371  3.613787       5.302456 
1 1 1 -25 -19 22 o 23.237  3.2242  87.989    19.403    46.449    27.858    127.129   27.041    16.927  5.4264  29.547  3.4838  -12.61982      6.448421 
1 1 1 -25 -19 23 o 28.362  2.9395  122.151   21.485    108.889   30.824    134.683   29.964    26.576  4.4901  30.147  3.7948  -3.570936      5.878949 
1 1 1 -25 -19 24 f 26.977  3.0291  111.684   21.017    126.565   29.900    97.152    29.547    29.033  3.9472  24.921  4.5958  4.112083       6.058214 
1 1 1 -25 -18 1  o 18.831  3.1210  56.171    15.571    45.335    23.041    65.279    21.125    16.861  4.8449  20.801  3.9357  -3.939756      6.242024 
1 1 1 -25 -18 2  o 10.827  2.9718  11.276    12.308    21.024    19.553    4.8790    15.840    12.423  4.5274  9.2313  3.8507  3.192086       5.943504 
1 1 1 -25 -18 3  o 18.396  3.0128  51.821    14.504    51.015    21.636    52.480    19.546    18.157  4.4770  18.635  4.0330  -0.4777641     6.025655 
1 1 1 -25 -18 4  o 46.259  2.2268  303.627   27.426    302.612   38.812    304.641   38.761    46.175  3.1571  46.343  3.1412  -0.1680336     4.453625 
1 1 1 -25 -18 5  o 12.689  3.1294  21.012    13.042    30.799    20.556    14.417    16.873    14.349  4.6671  11.029  4.1702  3.319724       6.258785 
1 1 1 -25 -18 6  o 43.418  2.2822  267.459   26.325    281.854   37.458    253.412   37.003    44.632  3.1537  42.204  3.2997  2.427956       4.564375 
1 1 1 -25 -18 7  o 18.682  3.0343  53.082    14.815    50.311    22.168    55.319    19.917    18.105  4.5706  19.259  3.9920  -1.153505      6.068527 
1 1 1 -25 -18 8  o 11.939  3.0670  18.255    12.397    20.027    20.128    17.172    15.735    12.451  4.5849  11.428  4.0747  1.022256       6.133915 
1 1 1 -25 -18 9  o 9.6764  2.7779  3.4953    11.006    16.883    18.972    -3.2966   13.513    11.792  4.4299  7.5605  3.3530  4.231759       5.555823 
1 1 1 -25 -18 10 o 18.331  2.9498  47.701    15.194    85.078    23.338    20.199    20.018    24.177  3.7233  12.486  4.5763  11.69140       5.899592 
1 1 1 -25 -18 11 o 37.550  2.3892  201.029   23.693    192.134   34.323    209.126   32.747    36.643  3.5412  38.457  3.2084  -1.814243      4.778472 
1 1 1 -25 -18 12 o 18.455  3.1203  50.538    15.159    61.647    23.262    42.337    19.986    20.199  4.4223  16.712  4.4032  3.487188       6.240614 
1 1 1 -25 -18 13 o 30.722  2.5641  136.877   20.458    124.115   30.012    147.954   27.960    29.171  3.9421  32.274  3.2800  -3.103712      5.128184 
1 1 1 -25 -18 14 o 24.955  2.9443  90.761    18.666    120.805   28.095    67.018    24.975    28.902  3.7152  21.008  4.5686  7.893490       5.888536 
1 1 1 -25 -18 15 f 10.393  2.9085  7.3433    12.287    19.461    19.053    -1.2838   16.076    12.257  4.4687  8.5294  3.7241  3.727699       5.817069 
1 1 1 -25 -18 16 o 34.507  2.5047  170.294   22.797    177.968   33.179    163.432   31.376    35.233  3.5648  33.780  3.5195  1.453445       5.009442 
1 1 1 -25 -18 17 f 20.392  3.1809  64.836    16.953    49.646    25.337    77.147    22.811    17.852  5.0646  22.932  3.8501  -5.080030      6.361857 
1 1 1 -25 -18 18 o 22.236  3.0462  73.839    17.390    77.586    26.248    70.908    23.217    22.653  4.4847  21.819  4.1238  0.8336239      6.092462 
1 1 1 -25 -18 19 o 10.752  3.1060  8.8256    14.318    2.6602    21.616    13.646    19.113    10.235  4.3932  11.269  4.3920  -1.033680      6.212076 
1 1 1 -25 -18 20 o 11.965  3.1796  14.314    14.616    29.849    21.586    1.1614    19.863    14.242  4.7881  9.6874  4.1850  4.554306       6.359268 
1 1 1 -25 -18 21 o 25.680  2.8950  97.648    19.176    109.974   27.872    86.571    26.422    27.344  3.9175  24.017  4.2636  3.327761       5.790070 
1 1 1 -25 -18 22 o 7.0628  3.3003  -38.7010  11.627    -72.2199  17.631    -12.9038  15.468    ?       ?       7.0628  3.3003  ?              ?        
1 1 1 -25 -18 23 o 23.698  3.1484  87.000    19.047    116.734   27.215    58.451    26.667    28.255  3.6837  19.140  5.1070  9.114674       6.296862 
1 1 1 -25 -18 24 o 34.284  2.6010  171.904   23.430    157.629   33.027    186.367   33.245    32.710  3.8428  35.858  3.5063  -3.147213      5.202021 
1 1 1 -25 -18 25 o 19.694  3.5281  62.345    18.645    65.124    26.025    59.414    26.724    20.229  4.8631  19.159  5.1127  1.070309       7.056176 
1 1 1 -25 -18 26 o 20.590  3.4025  68.149    18.514    58.496    26.538    77.303    25.842    18.917  5.1149  22.264  4.4886  -3.346521      6.805068 
1 1 1 -25 -17 1  o 9.5113  2.7606  5.7372    11.550    -2.5795   17.925    11.642    15.104    8.7847  3.8805  10.238  3.9275  -1.453128      5.521204 
1 1 1 -25 -17 2  o 14.202  2.9624  30.793    12.371    21.748    18.983    37.470    16.310    12.594  4.4771  15.810  3.8805  -3.215625      5.924743 
1 1 1 -25 -17 3  o 10.145  2.6514  -0.2217   11.300    29.294    18.199    -18.7379  14.414    14.028  4.3720  6.2627  3.0010  7.765583       5.302850 
1 1 1 -25 -17 4  o 17.129  2.9293  46.044    13.988    25.113    20.834    63.225    18.875    13.392  4.6972  20.866  3.5014  -7.473540      5.858573 
1 1 1 -25 -17 5  o 23.952  2.7235  83.817    16.789    96.450    24.287    72.255    23.234    25.830  3.6091  22.075  4.0799  3.755146       5.447091 
1 1 1 -25 -17 6  f 22.152  2.7794  72.121    15.866    73.322    23.116    71.051    21.816    22.286  4.0203  22.018  3.8389  0.2686291      5.558774 
1 1 1 -25 -17 7  o 15.265  2.9002  35.823    12.439    24.745    19.162    43.890    16.353    13.242  4.5110  17.288  3.6463  -4.045759      5.800404 
1 1 1 -25 -17 8  o 26.393  2.4932  100.084   17.167    99.568    24.763    100.562   23.821    26.283  3.6131  26.502  3.4366  -0.2194099     4.986429 
1 1 1 -25 -17 9  o 19.619  2.9515  59.566    15.133    39.429    22.281    76.807    20.617    16.117  4.8018  23.120  3.4335  -7.002598      5.903055 
1 1 1 -25 -17 10 o 22.696  2.7423  76.034    15.930    67.692    23.361    83.285    21.779    21.318  4.2405  24.074  3.4783  -2.755955      5.484570 
1 1 1 -25 -17 11 o 21.104  2.8649  65.841    15.544    65.473    23.079    66.147    21.028    20.952  4.2577  21.257  3.8344  -0.3048000     5.729751 
1 1 1 -25 -17 12 o 25.506  2.7443  94.266    18.047    109.311   26.421    81.108    24.708    27.540  3.6734  23.471  4.0782  4.068932       5.488696 
1 1 1 -25 -17 13 o 48.101  2.2804  325.538   29.199    338.283   41.853    313.453   40.755    49.036  3.2042  47.166  3.2458  1.870335       4.560895 
1 1 1 -25 -17 14 o 28.401  2.6175  117.221   19.195    102.197   27.702    131.096   26.621    26.424  4.0426  30.378  3.3260  -3.954388      5.235002 
1 1 1 -25 -17 15 o 14.933  3.2714  33.506    14.938    22.178    22.645    42.232    19.875    13.134  4.8583  16.732  4.3825  -3.597668      6.542893 
1 1 1 -25 -17 16 o 18.170  3.0784  47.860    15.621    77.350    23.564    24.739    20.864    22.953  3.9768  13.387  4.7002  9.566311       6.156877 
1 1 1 -25 -17 17 o 13.162  3.2162  24.147    13.708    22.798    21.238    25.110    17.948    13.084  4.7260  13.241  4.3637  -0.1568584     6.432492 
1 1 1 -25 -17 18 o 22.381  3.1026  77.184    17.758    57.677    26.219    93.715    24.137    19.293  5.0242  25.470  3.6418  -6.176788      6.205262 
1 1 1 -25 -17 19 o 34.603  2.4344  170.760   22.221    169.223   32.292    172.141   30.623    34.384  3.5579  34.822  3.3237  -0.4380188     4.868791 
1 1 1 -25 -17 20 o 11.250  3.1064  12.770    13.820    5.4449    20.474    18.900    18.731    10.377  4.3568  12.124  4.4292  -1.747051      6.212812 
1 1 1 -25 -17 21 f 14.050  3.2262  27.864    15.302    8.6001    22.858    43.507    20.598    11.200  4.6450  16.899  4.4787  -5.698779      6.452473 
1 1 1 -25 -17 22 o 26.517  2.9787  108.159   19.414    67.082    27.629    148.225   27.287    20.726  5.0283  32.309  3.1950  -11.58288      5.957493 
1 1 1 -25 -17 23 o 23.232  3.1121  83.161    18.475    60.672    26.469    104.525   25.799    19.667  5.0106  26.798  3.6924  -7.131037      6.224140 
1 1 1 -25 -17 24 o 30.576  2.7256  137.660   21.615    121.646   30.957    152.893   30.193    28.600  4.1633  32.553  3.5188  -3.952330      5.451140 
1 1 1 -25 -17 25 o 42.170  2.4156  255.921   26.859    223.232   37.747    289.447   38.228    39.238  3.6327  45.102  3.1849  -5.863602      4.831180 
1 1 1 -25 -17 26 o 35.767  2.5011  185.655   23.641    180.221   33.216    191.234   33.654    35.206  3.5719  36.329  3.5020  -1.122372      5.002205 
1 1 1 -25 -17 27 o 14.926  3.5511  34.510    16.792    32.086    23.295    37.133    24.228    14.489  4.9732  15.364  5.0702  -0.8752346     7.102126 
1 1 1 -25 -17 28 o 27.093  3.1619  115.853   21.517    146.556   30.151    83.986    30.718    31.503  3.6402  22.682  5.1710  8.821159       6.323804 
1 1 1 -25 -16 1  o 32.904  2.3133  154.040   20.114    151.227   28.411    156.867   28.480    32.583  3.3010  33.224  3.2417  -0.6416016     4.626573 
1 1 1 -25 -16 2  o 17.009  4.3951  43.912    20.167    43.912    20.167    0.0000    0.0000    17.009  4.3951  ?       ?       ?              ?        
1 1 1 -25 -16 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -16 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -16 5  o 8.0499  3.4494  0.5999    13.286    0.0000    0.0000    0.5999    13.286    ?       ?       8.0499  3.4494  ?              ?        
1 1 1 -25 -16 6  o 13.705  3.7924  27.671    14.393    0.0000    0.0000    27.671    14.393    ?       ?       13.705  3.7924  ?              ?        
1 1 1 -25 -16 7  o 16.085  3.5648  39.514    16.422    33.120    30.947    42.021    19.374    15.451  5.6858  16.720  4.3015  -1.268658      7.129586 
1 1 1 -25 -16 8  o 8.2479  2.4655  2.5087    8.7573    0.5166    16.128    3.3416    10.429    8.7984  3.7860  7.6975  3.1593  1.100887       4.931070 
1 1 1 -25 -16 9  o 10.870  2.6620  5.3658    11.022    33.241    18.028    -11.2722  13.928    14.940  4.2835  6.7990  3.1618  8.140904       5.324016 
1 1 1 -25 -16 10 o 8.8271  2.5409  -7.2293   10.220    19.335    17.626    -20.6854  12.545    12.124  4.3137  5.5305  2.6865  6.593188       5.081807 
1 1 1 -25 -16 11 o 9.9275  2.8472  7.6238    11.584    4.6578    19.124    9.3429    14.559    10.043  4.2133  9.8119  3.8308  0.2311506      5.694450 
1 1 1 -25 -16 12 o 12.349  3.4163  15.121    14.651    21.545    29.229    12.965    16.932    13.815  5.4184  10.883  4.1624  2.931770       6.832577 
1 1 1 -25 -16 13 o 10.228  3.9374  10.959    15.214    0.0000    0.0000    10.959    15.214    ?       ?       10.228  3.9374  ?              ?        
1 1 1 -25 -16 14 o 26.402  4.1814  102.319   28.584    0.0000    0.0000    102.319   28.584    ?       ?       26.402  4.1814  ?              ?        
1 1 1 -25 -16 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -16 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -16 17 o 50.723  3.2332  361.872   43.697    361.872   43.697    0.0000    0.0000    50.723  3.2332  ?       ?       ?              ?        
1 1 1 -25 -16 18 o 20.169  3.1072  61.349    16.305    56.422    23.640    65.818    22.517    19.265  4.6372  21.072  4.1372  -1.806461      6.214466 
1 1 1 -25 -16 19 o 46.317  2.2540  301.801   27.791    306.119   39.590    297.606   39.020    46.645  3.1879  45.989  3.1873  0.6551971      4.507992 
1 1 1 -25 -16 20 o 22.702  2.9854  76.603    17.409    92.371    25.089    61.963    24.175    25.190  3.8400  20.213  4.5722  4.976263       5.970842 
1 1 1 -25 -16 21 o 38.362  2.3526  208.750   23.913    202.757   34.127    214.530   33.518    37.764  3.4107  38.960  3.2413  -1.195747      4.705201 
1 1 1 -25 -16 22 o 10.032  2.9599  3.3148    13.594    13.441    19.807    -5.7015   18.690    11.380  4.4612  8.6841  3.8911  2.695571       5.919717 
1 1 1 -25 -16 23 o 10.889  2.9131  3.8530    14.155    -23.2979  20.241    29.835    19.801    7.5628  3.6054  14.215  4.5768  -6.652151      5.826266 
1 1 1 -25 -16 24 f 29.631  2.6100  127.269   20.228    119.817   28.595    134.732   28.617    28.676  3.8178  30.585  3.5598  -1.909330      5.219975 
1 1 1 -25 -16 25 o 38.583  2.4185  213.007   24.719    204.303   34.793    221.877   35.124    37.738  3.4814  39.427  3.3580  -1.689323      4.836948 
1 1 1 -25 -16 26 o 10.197  3.0020  2.8727    14.534    16.802    19.916    -12.9954  21.257    11.833  4.5170  8.5625  3.9553  3.270051       6.003961 
1 1 1 -25 -16 27 o 29.504  2.7275  128.132   21.008    120.071   29.256    136.712   30.184    28.478  3.9411  30.529  3.7714  -2.050934      5.454942 
1 1 1 -25 -16 28 o 14.409  3.4190  30.602    16.369    16.744    23.352    43.987    22.951    12.166  4.8202  16.653  4.8501  -4.486713      6.838019 
1 1 1 -25 -16 29 f 31.932  2.8274  153.181   23.248    125.025   32.448    182.876   33.324    28.545  4.3843  35.320  3.5715  -6.775797      5.654859 
1 1 1 -25 -16 30 f 29.044  2.9024  128.465   21.794    146.193   31.366    111.917   30.306    31.223  3.8310  26.866  4.3610  4.356915       5.804708 
1 1 1 -25 -15 1  o 36.246  2.2225  185.454   21.362    187.518   30.318    183.419   30.105    36.452  3.1358  36.040  3.1502  0.4115829      4.444902 
1 1 1 -25 -15 2  o 9.8408  2.6879  3.6608    10.991    22.014    17.106    -9.2462   14.345    12.556  4.2621  7.1252  3.2761  5.431318       5.375786 
1 1 1 -25 -15 3  o 24.747  2.5560  88.513    16.296    102.407   23.348    75.315    22.756    26.809  3.3227  22.685  3.8849  4.123390       5.112000 
1 1 1 -25 -15 4  f 12.951  2.9519  23.831    11.521    25.548    17.898    22.616    15.055    13.340  4.3558  12.562  3.9852  0.7782125      5.903765 
1 1 1 -25 -15 5  o 37.603  2.1643  198.271   21.604    196.970   30.170    199.641   30.950    37.492  3.0303  37.714  3.0910  -0.2215462     4.328636 
1 1 1 -25 -15 6  o 14.442  2.7687  30.733    12.832    5.2245    19.315    50.888    17.169    10.162  4.2467  18.722  3.5537  -8.559977      5.537460 
1 1 1 -25 -15 7  o 10.192  2.7589  10.235    10.476    15.640    16.258    6.3974    13.699    11.271  4.1251  9.1126  3.6645  2.158743       5.517732 
1 1 1 -25 -15 8  o 31.824  2.2409  142.565   18.843    140.912   26.807    144.180   26.493    31.621  3.2096  32.028  3.1282  -0.4069881     4.481888 
1 1 1 -25 -15 9  o 7.6940  2.1485  -2.0835   8.5742    -34.9152  15.272    13.028    10.361    5.5081  2.7313  9.8800  3.3173  -4.371900      4.297057 
1 1 1 -25 -15 10 o 22.309  2.7710  71.833    15.859    86.917    23.567    59.348    21.440    24.570  3.6954  20.048  4.1300  4.521940       5.541935 
1 1 1 -25 -15 11 o 34.891  2.2493  171.049   20.763    169.480   30.011    172.490   28.757    34.692  3.2682  35.090  3.0912  -0.3983994     4.498520 
1 1 1 -25 -15 12 o 13.922  3.0586  28.210    12.562    26.977    19.139    29.143    16.649    13.746  4.5050  14.098  4.1382  -0.3519373     6.117166 
1 1 1 -25 -15 13 o 26.252  2.5483  100.101   17.032    79.603    24.420    119.517   23.767    23.337  4.0536  29.167  3.0893  -5.829321      5.096634 
1 1 1 -25 -15 14 o 8.9144  2.6211  -2.2777   10.872    14.319    17.203    -13.3147  14.028    11.185  4.2151  6.6439  3.1168  4.540943       5.242287 
1 1 1 -25 -15 15 o 18.201  2.9431  50.361    14.198    36.609    20.869    62.210    19.371    15.658  4.6430  20.743  3.6181  -5.084882      5.886269 
1 1 1 -25 -15 16 f 26.875  2.6083  105.386   17.890    89.172    26.362    119.228   24.358    24.671  4.1358  29.078  3.1792  -4.406986      5.216529 
1 1 1 -25 -15 17 o 17.444  3.0935  44.700    14.721    61.093    21.911    31.213    19.875    20.311  4.1672  14.577  4.5731  5.734756       6.187002 
1 1 1 -25 -15 18 o 31.017  3.2741  140.894   23.256    146.454   44.845    138.849   27.199    30.704  5.6615  31.329  3.2904  -0.6251411     6.548263 
1 1 1 -25 -15 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -15 20 o 41.207  4.4487  249.545   48.323    249.545   48.323    0.0000    0.0000    41.207  4.4487  ?       ?       ?              ?        
1 1 1 -25 -15 21 f 13.562  3.1418  24.384    14.176    40.303    20.347    9.3653    19.762    16.328  4.5054  10.795  4.3802  5.532687       6.283667 
1 1 1 -25 -15 22 f 12.499  2.9445  15.625    14.003    -9.6915   19.848    40.719    19.760    8.5812  3.9108  16.417  4.4030  -7.835807      5.889050 
1 1 1 -25 -15 23 o 7.0953  2.3727  -17.8939  11.887    -13.8404  17.425    -21.4214  16.256    7.5677  3.5250  6.6229  3.1771  0.9447289      4.745477 
1 1 1 -25 -15 24 o 18.634  3.2452  53.758    16.524    69.335    23.010    37.172    23.743    21.595  4.1286  15.673  5.0081  5.921747       6.490486 
1 1 1 -25 -15 25 o 22.287  3.1836  74.955    18.346    61.521    25.267    89.934    26.680    19.975  4.7854  24.599  4.2000  -4.624264      6.367117 
1 1 1 -25 -15 26 o 30.420  2.9806  142.217   21.369    74.393    29.693    215.083   30.777    21.740  5.1740  39.100  2.9608  -17.35919      5.961211 
1 1 1 -25 -15 27 o 29.929  2.7119  131.115   21.240    130.032   29.918    132.216   30.158    29.802  3.8371  30.057  3.8334  -0.2547588     5.423807 
1 1 1 -25 -15 28 o 23.035  3.2290  82.003    19.191    64.142    26.903    100.507   27.384    20.115  5.0118  25.956  4.0729  -5.840895      6.458045 
1 1 1 -25 -15 29 o 14.126  3.0581  19.905    16.523    -16.8983  22.784    60.735    23.998    8.5534  3.9996  19.698  4.6271  -11.14441      6.116166 
1 1 1 -25 -15 30 o 26.223  3.0518  105.305   20.682    101.904   29.207    108.725   29.290    25.732  4.3955  26.714  4.2346  -0.9822254     6.103504 
1 1 1 -25 -15 31 o 21.307  3.4731  73.955    19.481    64.875    27.700    82.841    27.404    19.769  5.1719  22.846  4.6368  -3.076950      6.946119 
1 1 1 -25 -14 1  o 11.717  2.8588  18.613    10.918    16.217    16.361    20.536    14.659    11.365  4.1415  12.069  3.9420  -0.7037897     5.717580 
1 1 1 -25 -14 2  o 39.650  2.1400  220.583   22.488    237.687   31.728    203.316   31.879    41.282  2.8875  38.018  3.1592  3.264679       4.280029 
1 1 1 -25 -14 3  o 10.236  2.7909  9.4402    10.827    17.166    16.996    4.1640    14.046    11.652  4.2248  8.8192  3.6480  2.832568       5.581867 
1 1 1 -25 -14 4  o 25.816  2.4296  95.482    16.242    84.008    23.139    106.629   22.805    24.137  3.6968  27.495  3.1538  -3.357819      4.859275 
1 1 1 -25 -14 5  o 40.103  2.0920  224.075   22.311    219.530   31.318    228.758   31.791    39.684  2.9679  40.523  2.9492  -0.8392830     4.184038 
1 1 1 -25 -14 6  o 34.428  2.1878  166.877   19.722    140.358   27.874    193.463   27.909    31.525  3.3525  37.331  2.8118  -5.805878      4.375573 
1 1 1 -25 -14 7  o 12.853  2.8684  21.878    11.294    33.257    17.368    13.541    14.867    15.015  4.1699  10.690  3.9398  4.324871       5.736732 
1 1 1 -25 -14 8  o 30.592  2.2228  131.039   17.934    139.333   25.907    123.408   24.852    31.544  3.1066  29.640  3.1800  1.904490       4.445580 
1 1 1 -25 -14 9  o 9.1217  2.5532  6.7333    9.5012    -2.1735   15.811    11.768    11.887    8.4116  3.6823  9.8318  3.5378  -1.420292      5.106396 
1 1 1 -25 -14 10 o 24.616  2.4630  86.089    15.772    90.737    22.835    81.849    21.810    25.268  3.4653  23.964  3.5011  1.303576       4.926070 
1 1 1 -25 -14 11 o 44.584  2.1488  276.341   25.492    279.463   36.760    273.450   35.381    44.804  3.0819  44.364  2.9951  0.4398499      4.297542 
1 1 1 -25 -14 12 o 37.413  2.1621  195.608   21.408    184.423   30.825    206.031   29.756    36.300  3.2032  38.526  2.9050  -2.225563      4.324245 
1 1 1 -25 -14 13 o 29.128  2.3711  120.034   18.082    114.975   26.360    124.530   24.850    28.460  3.5340  29.796  3.1621  -1.336012      4.742139 
1 1 1 -25 -14 14 o 39.679  2.1989  220.264   23.104    204.253   33.017    235.627   32.342    38.176  3.2602  41.181  2.9516  -3.005558      4.397854 
1 1 1 -25 -14 15 o 18.240  2.9441  48.759    14.085    57.371    20.756    41.408    19.177    19.776  4.0545  16.703  4.2700  3.073622       5.888249 
1 1 1 -25 -14 16 o 26.725  2.4911  101.494   17.334    112.522   25.057    91.372    24.006    28.193  3.3859  25.256  3.6548  2.936745       4.982193 
1 1 1 -25 -14 17 o 15.011  3.0598  33.366    13.083    28.362    18.892    37.978    18.135    14.020  4.4659  16.002  4.1838  -1.982002      6.119552 
1 1 1 -25 -14 18 o 25.344  2.6385  93.036    17.205    80.794    24.615    104.729   24.056    23.522  4.0532  27.165  3.3792  -3.642942      5.277076 
1 1 1 -25 -14 19 o 10.877  2.9670  11.210    12.485    19.109    18.265    4.2838    17.104    12.182  4.3852  9.5715  3.9978  2.610433       5.933970 
1 1 1 -25 -14 20 o 21.605  2.8714  68.640    16.000    68.582    22.958    68.695    22.311    21.567  4.1246  21.643  3.9959  -0.7577515E-01 5.742779 
1 1 1 -25 -14 21 o 21.679  4.1130  69.354    23.008    0.0000    0.0000    69.354    23.008    ?       ?       21.679  4.1130  ?              ?        
1 1 1 -25 -14 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -14 23 o 32.525  2.4819  151.042   21.273    148.219   29.669    154.029   30.519    32.218  3.4941  32.831  3.5257  -0.6132927     4.963804 
1 1 1 -25 -14 24 o 12.690  3.2798  20.959    14.502    21.384    19.725    20.458    21.394    12.678  4.5577  12.702  4.7175  -0.2479267E-01 6.559541 
1 1 1 -25 -14 25 o 17.833  3.3130  48.842    16.031    50.480    22.139    47.037    23.244    18.189  4.5544  17.478  4.8125  0.7113495      6.625947 
1 1 1 -25 -14 26 o 48.808  2.3199  337.353   30.146    340.389   42.363    334.238   42.909    49.062  3.2419  48.554  3.3193  0.5084763      4.639788 
1 1 1 -25 -14 27 o 21.866  3.1289  76.216    18.783    26.591    26.509    126.248   26.618    14.065  5.2458  29.667  3.4119  -15.60179      6.257740 
1 1 1 -25 -14 28 o 33.640  2.5502  163.800   22.512    181.000   32.084    147.121   31.595    35.523  3.4141  31.758  3.7891  3.765125       5.100348 
1 1 1 -25 -14 29 o 19.165  3.4392  58.241    18.026    44.039    25.673    72.052    25.317    16.679  5.1918  21.651  4.5119  -4.971939      6.878391 
1 1 1 -25 -14 30 o 33.211  2.6501  162.179   23.087    149.307   32.539    175.229   32.763    31.745  3.9094  34.677  3.5788  -2.931728      5.300138 
1 1 1 -25 -14 31 o 18.077  3.5015  53.092    18.001    67.787    25.277    37.971    25.642    20.701  4.6700  15.453  5.2185  5.248007       7.002963 
1 1 1 -25 -14 32 o 7.8299  2.6175  -23.1975  14.697    -38.1818  20.023    -5.6963   21.640    6.5137  3.2110  9.1461  4.1346  -2.632365      5.235087 
1 1 1 -25 -13 1  o 30.140  2.2338  128.289   17.668    114.960   24.992    141.607   24.981    28.470  3.3408  31.810  2.9662  -3.340109      4.467596 
1 1 1 -25 -13 2  o 15.560  2.7352  35.555    11.345    38.062    16.507    33.311    15.619    16.075  3.8784  15.044  3.8578  1.030802       5.470356 
1 1 1 -25 -13 3  o 36.648  2.0790  187.021   20.209    175.736   28.425    198.556   28.739    35.486  3.0193  37.810  2.8588  -2.324680      4.157984 
1 1 1 -25 -13 4  o 9.1343  2.4966  6.3876    8.8755    14.210    13.591    0.5715    11.720    10.640  3.7877  7.6289  3.2535  3.010747       4.993181 
1 1 1 -25 -13 5  o 9.3286  2.4742  9.0836    8.7163    0.7470    14.109    14.229    11.084    8.3516  3.5660  10.306  3.4309  -1.953979      4.948469 
1 1 1 -25 -13 6  o 30.907  2.1738  133.420   17.741    138.966   25.052    127.841   25.126    31.588  2.9968  30.226  3.1498  1.362043       4.347657 
1 1 1 -25 -13 7  f 17.789  2.7660  47.526    13.026    30.472    18.901    62.955    17.978    14.509  4.4446  21.069  3.2936  -6.559174      5.531919 
1 1 1 -25 -13 8  o 38.600  2.0775  206.411   21.316    208.375   30.425    204.517   29.874    38.776  2.9515  38.425  2.9246  0.3508987      4.155099 
1 1 1 -25 -13 9  o 15.820  2.8264  36.050    11.959    42.688    18.060    30.866    15.960    17.081  4.0151  14.558  3.9792  2.523274       5.652863 
1 1 1 -25 -13 10 o 32.718  2.1845  148.780   18.894    158.315   27.350    140.074   26.133    33.738  3.0599  31.697  3.1184  2.040951       4.368908 
1 1 1 -25 -13 11 o 42.018  2.1013  244.270   23.489    251.574   33.709    237.375   32.750    42.631  2.9706  41.404  2.9729  1.226952       4.202699 
1 1 1 -25 -13 12 o 20.245  2.6999  60.580    13.947    44.304    20.166    75.504    19.311    17.329  4.3509  23.161  3.1982  -5.831461      5.399893 
1 1 1 -25 -13 13 f 40.907  2.1139  231.697   22.989    242.926   32.986    221.092   32.055    41.889  2.9590  39.926  3.0198  1.962578       4.227889 
1 1 1 -25 -13 14 o 7.8688  2.4300  -1.6722   9.5540    -4.0470   15.186    -0.1164   12.291    8.0271  3.5575  7.7105  3.3112  0.3166628      4.860041 
1 1 1 -25 -13 15 o 25.654  2.6463  97.602    16.757    66.259    24.319    125.935   23.122    21.203  4.4252  30.106  2.9033  -8.902925      5.292599 
1 1 1 -25 -13 16 o 26.279  2.4678  98.536    16.782    89.676    24.509    106.358   23.026    25.023  3.7740  27.534  3.1808  -2.510742      4.935644 
1 1 1 -25 -13 17 o 19.102  2.8393  56.710    14.643    24.300    21.281    85.853    20.180    13.489  4.7463  24.716  3.1177  -11.22723      5.678647 
1 1 1 -25 -13 18 f 28.613  2.3814  115.674   17.887    112.104   25.419    119.177   25.176    28.137  3.4447  29.089  3.2890  -0.9522018     4.762710 
1 1 1 -25 -13 19 o 46.438  2.1716  301.086   26.737    269.793   37.747    332.598   37.878    43.905  3.2325  48.971  2.9007  -5.065544      4.343184 
1 1 1 -25 -13 20 o 32.775  2.4021  152.993   20.228    191.470   28.987    116.473   28.240    37.072  2.9434  28.478  3.7969  8.594088       4.804153 
1 1 1 -25 -13 21 o 15.788  3.0688  36.984    13.694    47.301    19.473    26.891    19.261    17.846  4.1519  13.729  4.5203  4.116862       6.137663 
1 1 1 -25 -13 22 o 26.953  2.6250  105.197   18.221    120.949   25.686    89.241    25.852    29.198  3.3447  24.707  4.0466  4.491056       5.249938 
1 1 1 -25 -13 23 o 22.755  4.8127  78.670    28.416    0.0000    0.0000    78.670    28.416    ?       ?       22.755  4.8127  ?              ?        
1 1 1 -25 -13 24 o 35.781  4.5588  189.816   42.698    189.816   42.698    0.0000    0.0000    35.781  4.5588  ?       ?       ?              ?        
1 1 1 -25 -13 25 o 28.095  2.6685  114.449   19.544    108.679   27.675    120.190   27.605    27.312  3.8932  28.878  3.6505  -1.565750      5.336967 
1 1 1 -25 -13 26 o 8.7012  2.7773  -8.8482   13.935    -16.7188  19.432    -0.5140   19.996    7.8503  3.6781  9.5520  4.1624  -1.701716      5.554630 
1 1 1 -25 -13 27 o 22.000  3.0711  72.851    17.448    65.939    24.564    79.890    24.786    20.818  4.5338  23.182  4.1439  -2.364241      6.142212 
1 1 1 -25 -13 28 o 32.521  2.5864  153.227   22.067    143.486   31.523    162.587   30.900    31.384  3.8294  33.659  3.4776  -2.275389      5.172796 
1 1 1 -25 -13 29 o 26.665  2.9767  108.012   19.943    137.347   28.124    78.343    28.284    30.874  3.4605  22.457  4.8445  8.416689       5.953480 
1 1 1 -25 -13 30 o 18.034  3.5383  51.388    17.807    43.452    24.620    60.096    25.787    16.582  5.0716  19.486  4.9353  -2.904367      7.076598 
1 1 1 -25 -13 31 o 11.862  3.1237  4.0525    16.383    -27.8041  22.399    40.698    24.024    7.7118  3.7073  16.013  5.0285  -8.300869      6.247373 
1 1 1 -25 -13 32 o 36.141  2.6969  194.156   25.685    185.953   36.369    202.318   36.278    35.280  3.9147  37.002  3.7104  -1.721493      5.393710 
1 1 1 -25 -13 33 o 19.102  3.6934  61.432    19.521    67.755    27.634    55.133    27.579    20.179  5.1080  18.025  5.3359  2.154663       7.386703 
1 1 1 -25 -12 1  o 19.935  2.5819  57.420    13.269    56.123    19.045    58.643    18.498    19.674  3.7509  20.196  3.5490  -0.5219326     5.163804 
1 1 1 -25 -12 2  o 10.173  2.5846  11.957    8.9434    16.810    13.851    8.4875    11.712    11.250  3.8352  9.0959  3.4659  2.154489       5.169259 
1 1 1 -25 -12 3  o 30.353  2.0800  128.207   16.682    130.893   23.287    125.376   23.911    30.711  2.8639  29.995  3.0171  0.7165394      4.159933 
1 1 1 -25 -12 4  o 22.932  2.3822  74.845    14.002    88.828    19.934    61.227    19.672    25.216  3.0109  20.648  3.6924  4.567835       4.764395 
1 1 1 -25 -12 5  o 38.843  2.0551  208.651   21.218    211.929   29.774    205.268   30.246    39.175  2.8572  38.511  2.9547  0.6637306      4.110231 
1 1 1 -25 -12 6  o 51.223  2.0351  361.528   27.807    365.665   39.291    357.376   39.361    51.528  2.8580  50.919  2.8980  0.6087685      4.070216 
1 1 1 -25 -12 7  o 35.812  2.0803  177.352   19.774    178.514   28.303    176.243   27.639    35.917  2.9686  35.707  2.9153  0.2102165      4.160698 
1 1 1 -25 -12 8  o 15.023  2.7248  32.699    10.951    32.775    16.666    32.642    14.527    15.019  4.0502  15.027  3.6463  -0.8379936E-02 5.449688 
1 1 1 -25 -12 9  o 42.314  2.0937  247.108   23.564    247.549   33.952    246.699   32.731    42.328  3.0144  42.300  2.9065  0.2794647E-01  4.187346 
1 1 1 -25 -12 10 o 52.417  2.0743  378.307   28.995    380.761   41.637    375.997   40.402    52.565  2.9694  52.269  2.8971  0.2955894      4.148586 
1 1 1 -25 -12 11 o 26.749  2.3043  99.779    16.132    108.588   23.556    91.997    22.139    27.888  3.2123  25.611  3.3045  2.277050       4.608514 
1 1 1 -25 -12 12 o 30.191  2.2163  127.605   17.524    116.124   25.437    137.977   24.177    28.794  3.3614  31.588  2.8896  -2.793879      4.432693 
1 1 1 -25 -12 13 o 35.002  2.1456  169.652   19.908    172.338   28.627    167.136   27.705    35.261  3.0614  34.742  3.0069  0.5192986      4.291105 
1 1 1 -25 -12 14 o 11.782  2.9117  16.233    11.561    26.026    17.577    8.7662    15.348    13.593  4.3054  9.9709  3.9213  3.622156       5.823473 
1 1 1 -25 -12 15 o 33.088  2.2323  153.365   19.361    134.141   27.720    171.676   27.054    30.934  3.4017  35.242  2.8915  -4.307671      4.464536 
1 1 1 -25 -12 16 o 33.680  2.1948  157.851   19.560    153.223   27.896    162.326   27.435    33.160  3.1798  34.200  3.0261  -1.039898      4.389601 
1 1 1 -25 -12 17 o 36.374  2.1923  184.686   21.006    162.394   29.791    206.729   29.624    34.077  3.3055  38.670  2.8807  -4.593266      4.384594 
1 1 1 -25 -12 18 o 49.453  2.1402  339.937   28.043    299.393   39.655    380.494   39.662    46.380  3.2119  52.526  2.8295  -6.145607      4.280499 
1 1 1 -25 -12 19 o 48.081  2.1514  321.236   27.486    294.066   38.773    348.679   38.968    45.956  3.1693  50.205  2.9103  -4.249374      4.302860 
1 1 1 -25 -12 20 o 23.838  2.5915  82.191    15.802    68.400    22.596    95.390    22.106    21.662  4.0430  26.013  3.2432  -4.350388      5.183078 
1 1 1 -25 -12 21 o 21.219  2.9138  65.899    15.937    54.867    22.009    78.060    23.108    19.205  4.3762  23.232  3.8482  -4.027567      5.827514 
1 1 1 -25 -12 22 o 21.739  2.7899  69.136    15.615    62.679    22.191    75.468    21.975    20.613  4.1627  22.865  3.7158  -2.252247      5.579892 
1 1 1 -25 -12 23 o 36.971  2.2590  192.187   22.148    195.261   31.268    189.092   31.375    37.288  3.1604  36.654  3.2288  0.6344299      4.518089 
1 1 1 -25 -12 24 o 25.903  3.5234  98.491    21.564    110.699   40.637    93.705    25.442    26.406  5.8947  25.399  3.8613  1.006763       7.046812 
1 1 1 -25 -12 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -12 26 o 37.966  2.4482  206.731   24.092    253.567   34.436    161.829   33.718    42.491  3.0459  33.441  3.8336  9.049641       4.896305 
1 1 1 -25 -12 27 o 28.611  2.6681  119.104   19.846    107.712   28.111    130.424   28.021    27.098  3.9927  30.125  3.5402  -3.027353      5.336233 
1 1 1 -25 -12 28 o 40.260  2.4103  231.147   25.718    244.283   36.615    218.357   36.131    41.454  3.3257  39.067  3.4896  2.386971       4.820538 
1 1 1 -25 -12 29 o 40.167  2.4724  231.444   26.318    224.988   37.424    237.761   37.017    39.553  3.5710  40.781  3.4205  -1.228004      4.944852 
1 1 1 -25 -12 30 o 18.825  3.5417  55.936    18.178    52.655    25.313    59.429    26.121    18.250  5.0209  19.400  4.9965  -1.149687      7.083405 
1 1 1 -25 -12 31 o 12.761  3.4691  20.423    16.699    19.023    23.485    21.855    23.750    12.541  4.8740  12.980  4.9379  -0.4382725     6.938226 
1 1 1 -25 -12 32 o 19.614  3.6254  62.449    19.279    66.570    27.526    58.481    27.010    20.289  5.0773  18.939  5.1765  1.349741       7.250881 
1 1 1 -25 -12 33 o 40.202  2.9130  247.056   30.258    262.850   40.181    226.367   45.987    42.263  3.5833  38.142  4.5937  4.121281       5.825988 
1 1 1 -25 -11 1  f 34.188  2.0566  161.994   18.617    149.979   26.108    174.424   26.556    32.853  3.0000  35.523  2.8141  -2.669464      4.113283 
1 1 1 -25 -11 2  o 52.901  2.0311  385.653   28.616    355.988   40.109    416.408   40.839    50.776  2.9620  55.026  2.7799  -4.249401      4.062169 
1 1 1 -25 -11 3  o 46.949  1.9727  303.073   24.691    298.200   34.533    308.170   35.316    46.565  2.7814  47.332  2.7981  -0.7670670     3.945347 
1 1 1 -25 -11 4  o 14.614  2.8600  30.962    11.592    28.998    16.744    32.771    16.066    14.197  4.1448  15.030  3.9419  -0.8326664     5.720011 
1 1 1 -25 -11 5  o 41.357  2.0039  235.542   22.028    249.546   31.116    221.473   31.190    42.631  2.7395  40.082  2.9254  2.549343       4.007847 
1 1 1 -25 -11 6  o 37.589  2.0441  194.897   20.374    209.414   28.838    180.430   28.788    39.036  2.7762  36.141  3.0010  2.894863       4.088169 
1 1 1 -25 -11 7  o 52.202  2.0423  374.255   28.379    407.384   40.576    342.534   39.704    54.514  2.7883  49.890  2.9849  4.623543       4.084630 
1 1 1 -25 -11 8  o 19.646  2.5474  54.700    12.855    58.081    19.286    51.996    17.244    20.171  3.7061  19.121  3.4959  1.050219       5.094740 
1 1 1 -25 -11 9  o 21.033  2.4496  62.773    13.246    60.280    19.578    64.877    17.989    20.567  3.6895  21.498  3.2233  -0.9314728     4.899233 
1 1 1 -25 -11 10 o 25.183  2.2880  88.379    15.045    91.511    22.132    85.689    20.515    25.580  3.3077  24.786  3.1621  0.7940483      4.576013 
1 1 1 -25 -11 11 o 21.869  2.3765  67.252    13.462    69.242    19.568    65.464    18.550    22.169  3.4042  21.570  3.3170  0.5989628      4.753047 
1 1 1 -25 -11 12 o 16.486  2.7449  39.342    11.913    37.949    17.289    40.601    16.439    16.182  4.0094  16.791  3.7500  -0.6083717     5.489815 
1 1 1 -25 -11 13 f 29.621  2.1593  121.400   16.866    129.195   24.404    114.273   23.335    30.548  3.0222  28.693  3.0848  1.854803       4.318529 
1 1 1 -25 -11 14 o 54.249  2.0985  404.608   30.368    410.533   43.552    399.000   42.367    54.626  2.9879  53.871  2.9474  0.7555847      4.196961 
1 1 1 -25 -11 15 o 63.877  2.1411  560.519   36.631    556.547   51.980    564.438   51.629    63.641  3.0494  64.113  3.0065  -0.4723625     4.282225 
1 1 1 -25 -11 16 o 16.194  2.9390  38.115    12.884    44.283    18.482    32.285    17.969    17.454  4.0343  14.934  4.2749  2.519680       5.877901 
1 1 1 -25 -11 17 o 31.490  2.2298  138.457   18.458    125.849   26.353    150.598   25.862    29.995  3.3367  32.984  2.9587  -2.989079      4.459528 
1 1 1 -25 -11 18 o 15.103  2.8988  32.857    12.613    19.461    17.788    46.405    17.887    12.308  4.3383  17.898  3.8459  -5.589728      5.797583 
1 1 1 -25 -11 19 o 10.440  2.8488  10.835    11.290    10.070    16.013    11.591    15.922    10.316  4.0203  10.565  4.0373  -0.2487421     5.697561 
1 1 1 -25 -11 20 o 47.781  2.1608  316.766   27.456    293.919   38.663    340.007   38.995    45.980  3.1585  49.581  2.9496  -3.601868      4.321643 
1 1 1 -25 -11 21 o 41.491  2.1417  239.322   23.622    230.305   33.447    248.296   33.366    40.675  3.0932  42.307  2.9632  -1.631771      4.283450 
1 1 1 -25 -11 22 o 12.093  3.0819  18.156    12.948    23.507    18.185    12.653    18.441    13.044  4.3947  11.141  4.3220  1.902836       6.163831 
1 1 1 -25 -11 23 o 48.179  2.1847  324.584   27.946    296.545   39.631    352.317   39.414    46.004  3.2369  50.355  2.9350  -4.350861      4.369381 
1 1 1 -25 -11 24 o 8.7535  2.7111  -4.0274   12.371    -11.8575  16.976    4.8405    18.066    7.6510  3.5344  9.8560  4.1119  -2.205016      5.422210 
1 1 1 -25 -11 25 o 22.471  2.9461  74.845    17.032    84.921    24.152    64.876    24.023    24.154  3.8633  20.788  4.4488  3.366102       5.892111 
1 1 1 -25 -11 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -11 27 o 33.208  2.5607  159.904   21.954    129.190   31.130    190.296   30.966    29.723  4.0127  36.693  3.1823  -6.969587      5.121378 
1 1 1 -25 -11 28 o 30.738  2.7138  138.452   21.468    162.704   30.273    113.918   30.447    33.757  3.3941  27.718  4.2355  6.038960       5.427644 
1 1 1 -25 -11 29 o 32.072  2.6900  149.680   22.614    140.813   31.976    158.553   31.986    31.025  3.9366  33.120  3.6672  -2.095400      5.380067 
1 1 1 -25 -11 30 o 26.486  3.0711  106.027   20.814    122.987   29.303    88.756    29.571    28.962  3.8745  24.011  4.7660  4.950499       6.142229 
1 1 1 -25 -11 31 o 16.888  3.6681  45.179    18.313    51.220    25.865    39.107    25.931    17.926  5.1281  15.850  5.2461  2.075968       7.336137 
1 1 1 -25 -11 32 o 32.016  2.6084  155.229   20.084    134.533   34.347    165.983   24.759    29.701  4.4548  34.331  2.7146  -4.629980      5.216766 
1 1 1 -25 -11 33 o 7.6975  2.5371  -12.9793  10.778    -0.6199   21.480    -17.1378  12.460    9.6732  4.2617  5.7219  2.7541  3.951291       5.074204 
1 1 1 -25 -11 34 o 22.263  3.1445  75.918    16.814    84.305    30.792    72.355    20.070    22.511  5.2100  22.014  3.5224  0.4966469      6.288978 
1 1 1 -25 -10 1  o 8.3084  3.3285  4.9830    11.255    4.9830    11.255    0.0000    0.0000    8.3084  3.3285  ?       ?       ?              ?        
1 1 1 -25 -10 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 5  f 58.434  3.8187  476.007   59.439    0.0000    0.0000    476.007   59.439    ?       ?       58.434  3.8187  ?              ?        
1 1 1 -25 -10 6  o 19.759  3.8862  55.940    19.834    0.0000    0.0000    55.940    19.834    ?       ?       19.759  3.8862  ?              ?        
1 1 1 -25 -10 7  o 42.174  3.5522  247.086   39.753    0.0000    0.0000    247.086   39.753    ?       ?       42.174  3.5522  ?              ?        
1 1 1 -25 -10 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 12 o 58.060  2.7320  471.740   38.974    475.703   47.081    463.112   69.470    58.894  2.9944  57.226  4.5704  1.668045       5.463966 
1 1 1 -25 -10 13 o 6.3713  2.0601  -14.5409  7.8238    2.3049    13.190    -23.6847  9.7178    8.3975  3.5094  4.3451  2.1587  4.052395       4.120156 
1 1 1 -25 -10 14 o 12.443  2.7886  21.260    10.877    12.059    16.429    28.440    14.513    10.805  4.1079  14.080  3.7723  -3.274509      5.577133 
1 1 1 -25 -10 15 o 29.663  2.2888  123.283   17.579    100.117   24.816    146.615   24.905    26.701  3.5584  32.624  2.8796  -5.922840      4.577588 
1 1 1 -25 -10 16 f 21.013  2.5661  62.976    13.873    58.824    20.101    66.753    19.172    20.265  3.8438  21.761  3.4006  -1.495573      5.132126 
1 1 1 -25 -10 17 o 16.688  2.8890  40.613    12.898    33.743    18.381    47.277    18.104    15.266  4.3077  18.110  3.8508  -2.843820      5.777984 
1 1 1 -25 -10 18 o 29.005  2.2369  117.339   17.055    111.301   24.434    123.076   23.817    28.223  3.2942  29.787  3.0272  -1.564899      4.473883 
1 1 1 -25 -10 19 o 17.010  2.9701  42.300    13.463    39.709    18.958    44.935    19.121    16.474  4.2636  17.546  4.1361  -1.072401      5.940119 
1 1 1 -25 -10 20 o 51.940  2.1133  372.726   29.233    349.493   41.211    396.256   41.474    50.258  3.0762  53.621  2.8984  -3.362568      4.226587 
1 1 1 -25 -10 21 o 27.186  2.4046  104.271   17.098    99.070    24.311    109.362   24.052    26.459  3.5175  27.913  3.2796  -1.453690      4.809192 
1 1 1 -25 -10 22 o 33.708  2.2341  158.699   19.933    160.659   28.450    156.809   27.936    33.910  3.1691  33.506  3.1498  0.4035721      4.468139 
1 1 1 -25 -10 23 o 22.101  2.8164  71.161    15.987    83.479    22.913    59.478    22.316    24.137  3.6588  20.065  4.2827  4.072863       5.632830 
1 1 1 -25 -10 24 o 30.387  2.4556  131.522   19.503    118.379   27.799    144.264   27.370    28.760  3.6941  32.014  3.2364  -3.253996      4.911212 
1 1 1 -25 -10 25 o 19.326  3.1438  56.125    15.965    61.815    22.613    50.471    22.543    20.384  4.2781  18.267  4.6078  2.116899       6.287659 
1 1 1 -25 -10 26 o 33.886  2.4098  164.061   21.274    136.504   30.009    191.902   30.164    30.807  3.7115  36.965  3.0744  -6.158487      4.819502 
1 1 1 -25 -10 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 28 o 25.364  3.0024  95.410    19.616    107.288   28.389    84.558    27.135    27.011  4.0487  23.717  4.4346  3.293583       6.004747 
1 1 1 -25 -10 29 o 10.075  3.0529  2.6578    14.720    4.3167    20.156    0.7618    21.549    10.143  4.2941  10.006  4.3407  0.1373491      6.105815 
1 1 1 -25 -10 30 o 36.193  2.2683  184.371   20.784    192.223   35.150    180.150   25.772    36.484  3.6457  35.903  2.6998  0.5817871      4.536510 
1 1 1 -25 -10 31 o 28.823  2.6315  123.126   18.173    115.560   31.949    126.745   22.096    27.636  4.4687  30.010  2.7804  -2.374100      5.263051 
1 1 1 -25 -10 32 o 39.344  2.2874  213.669   23.025    251.667   39.181    193.623   28.458    41.683  3.5429  37.004  2.8943  4.679565       4.574811 
1 1 1 -25 -10 33 o 24.839  3.1230  100.587   17.957    80.042    32.304    109.774   21.602    21.967  5.5022  27.712  2.9559  -5.744881      6.245936 
1 1 1 -25 -10 34 o 8.1824  2.5555  -19.5606  10.482    17.090    20.485    -32.5608  12.200    11.729  4.5537  4.6359  2.3210  7.092844       5.111085 
1 1 1 -25 -9  1  o 19.352  2.3446  53.090    11.666    46.222    16.450    60.037    16.545    17.996  3.5390  20.709  3.0763  -2.712984      4.689155 
1 1 1 -25 -9  2  o 15.264  2.5179  33.367    10.099    34.959    14.650    31.926    13.939    15.610  3.5801  14.918  3.5414  0.6919775      5.035766 
1 1 1 -25 -9  3  o 64.305  2.0251  565.161   34.854    587.865   49.151    542.198   49.431    65.634  2.7958  62.975  2.9305  2.658627       4.050241 
1 1 1 -25 -9  4  o 15.444  2.5748  34.523    10.521    28.932    15.349    39.477    14.450    14.217  3.9091  16.671  3.3522  -2.453814      5.149558 
1 1 1 -25 -9  5  o 44.059  1.9578  265.427   22.971    278.701   32.790    252.634   32.190    45.159  2.7236  42.959  2.8131  2.200214       3.915538 
1 1 1 -25 -9  6  o 67.220  2.0655  616.548   37.184    624.438   53.129    608.971   52.061    67.637  2.9326  66.804  2.9095  0.8330383      4.131072 
1 1 1 -25 -9  7  o 17.343  2.5088  42.791    11.238    42.935    16.485    42.666    15.362    17.344  3.6634  17.342  3.4286  0.2002716E-02  5.017573 
1 1 1 -25 -9  8  o 14.332  2.5329  29.800    9.7107    25.088    14.805    33.358    12.864    13.331  3.8992  15.334  3.2340  -2.003008      5.065837 
1 1 1 -25 -9  9  o 42.083  1.9746  241.715   22.108    256.448   32.040    228.326   30.545    43.315  2.7762  40.852  2.8085  2.463593       3.949102 
1 1 1 -25 -9  10 o 35.618  2.0284  173.546   19.162    184.575   27.897    163.693   26.367    36.695  2.8609  34.540  2.8762  2.155094       4.056725 
1 1 1 -25 -9  11 o 64.299  2.1163  564.665   36.425    559.069   52.297    569.937   50.763    63.965  3.0524  64.634  2.9323  -0.6682549     4.232637 
1 1 1 -25 -9  12 o 22.023  2.3217  67.665    13.259    71.195    19.384    64.561    18.177    22.566  3.3048  21.480  3.2619  1.086058       4.643438 
1 1 1 -25 -9  13 o 51.609  3.7637  369.763   51.668    0.0000    0.0000    369.763   51.668    ?       ?       51.609  3.7637  ?              ?        
1 1 1 -25 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -9  15 o 27.992  3.4257  125.378   20.752    138.047   24.133    89.428    40.653    31.676  2.8758  24.308  6.2186  7.368259       6.851375 
1 1 1 -25 -9  16 o 10.478  2.7017  11.728    10.101    18.487    14.678    5.6471    13.922    11.809  3.9484  9.1484  3.6888  2.660257       5.403447 
1 1 1 -25 -9  17 o 13.489  2.8793  25.704    11.289    24.100    16.067    27.268    15.865    13.145  4.1099  13.833  4.0336  -0.6883621     5.758512 
1 1 1 -25 -9  18 o 30.196  2.2900  127.723   17.916    103.424   25.226    152.457   25.451    27.132  3.5567  33.259  2.8855  -6.126814      4.580028 
1 1 1 -25 -9  19 o 51.121  2.0865  359.577   28.434    345.652   40.070    373.701   40.354    50.098  2.9999  52.144  2.9008  -2.045433      4.173048 
1 1 1 -25 -9  20 o 34.484  2.1631  165.261   19.693    151.541   28.072    178.558   27.635    33.000  3.2168  35.969  2.8929  -2.968288      4.326234 
1 1 1 -25 -9  21 o 35.838  2.2200  178.505   21.089    177.424   30.112    179.545   29.544    35.714  3.1812  35.962  3.0974  -0.2488213     4.439997 
1 1 1 -25 -9  22 o 44.782  2.1264  277.866   25.340    267.285   35.914    288.356   35.758    43.897  3.0739  45.668  2.9389  -1.771381      4.252744 
1 1 1 -25 -9  23 o 47.958  2.1675  319.709   27.660    303.670   39.266    335.508   38.971    46.707  3.1572  49.209  2.9706  -2.502247      4.335022 
1 1 1 -25 -9  24 o 11.876  3.1000  16.287    13.116    10.950    17.732    22.736    19.492    10.738  4.2175  13.014  4.5445  -2.276081      6.199965 
1 1 1 -25 -9  25 o 16.588  3.0009  39.100    15.543    8.5903    21.749    70.950    22.222    11.104  4.5606  22.072  3.9015  -10.96727      6.001763 
1 1 1 -25 -9  26 o 28.789  2.6888  120.031   20.069    106.099   28.497    133.740   28.269    26.954  4.0743  30.624  3.5097  -3.669561      5.377538 
1 1 1 -25 -9  27 o 19.597  5.1828  59.836    27.622    0.0000    0.0000    59.836    27.622    ?       ?       19.597  5.1828  ?              ?        
1 1 1 -25 -9  28 o 17.988  4.8899  50.018    24.178    50.018    24.178    0.0000    0.0000    17.988  4.8899  ?       ?       ?              ?        
1 1 1 -25 -9  29 o 36.274  2.3472  191.180   21.204    173.781   35.443    200.878   26.461    34.551  3.8980  37.996  2.6160  -3.444782      4.694437 
1 1 1 -25 -9  30 o 31.381  2.3960  135.017   19.016    163.161   32.840    120.821   23.324    33.552  3.7167  29.211  3.0249  4.340860       4.792055 
1 1 1 -25 -9  31 o 60.018  2.2906  513.448   35.584    498.886   57.186    522.648   45.456    58.840  3.6465  61.195  2.7732  -2.354755      4.581201 
1 1 1 -25 -9  32 o 26.301  2.7390  97.857    17.657    116.228   31.486    89.428    21.326    27.707  4.3889  24.894  3.2781  2.812357       5.477984 
1 1 1 -25 -9  33 o 18.265  3.3375  53.139    15.602    50.381    28.758    54.289    18.573    17.510  5.5022  19.019  3.7790  -1.509075      6.674986 
1 1 1 -25 -9  34 o 14.611  3.4096  27.610    14.503    51.917    27.481    18.227    17.074    17.647  5.3498  11.574  4.2287  6.072996       6.819277 
1 1 1 -25 -9  35 f 18.301  3.2466  42.786    15.906    95.604    29.773    21.690    18.816    24.359  4.7339  12.243  4.4443  12.11578       6.493182 
1 1 1 -25 -8  1  o 39.199  1.9221  211.054   19.976    226.182   27.849    195.022   28.669    40.703  2.5677  37.695  2.8609  3.007912       3.844146 
1 1 1 -25 -8  2  o 55.702  1.9378  422.616   28.908    422.283   40.586    422.958   41.185    55.687  2.7210  55.718  2.7597  -0.3129578E-01 3.875546 
1 1 1 -25 -8  3  o 37.557  1.9184  192.955   19.161    195.621   26.867    190.196   27.335    37.835  2.6683  37.279  2.7571  0.5561295      3.836874 
1 1 1 -25 -8  4  o 40.479  1.9255  224.057   20.686    246.400   29.478    202.380   29.036    42.512  2.6013  38.446  2.8397  4.066540       3.851085 
1 1 1 -25 -8  5  o 84.155  2.2461  968.586   50.610    955.295   72.235    981.400   70.929    83.560  3.2275  84.750  3.1246  -1.190224      4.492190 
1 1 1 -25 -8  6  o 15.754  2.4426  35.174    10.010    37.806    14.683    32.889    13.681    16.309  3.4680  15.199  3.4408  1.110138       4.885230 
1 1 1 -25 -8  7  o 24.686  2.1274  84.970    13.626    75.611    19.826    93.348    18.759    23.301  3.2665  26.072  2.7266  -2.770752      4.254888 
1 1 1 -25 -8  8  o 21.044  2.2571  61.448    12.269    70.040    18.040    54.054    16.736    22.461  3.0797  19.628  3.3005  2.832943       4.514226 
1 1 1 -25 -8  9  o 16.779  2.5404  40.161    11.027    38.937    16.453    41.159    14.857    16.501  3.8010  17.058  3.3714  -0.5568867     5.080712 
1 1 1 -25 -8  10 o 34.212  2.0354  161.299   18.360    147.380   26.602    173.959   25.371    32.732  3.0701  35.692  2.6732  -2.959766      4.070834 
1 1 1 -25 -8  11 o 8.6339  2.4347  4.6354    8.4430    9.1778    13.133    1.4351    11.023    9.6406  3.6709  7.6272  3.1993  2.013375       4.869333 
1 1 1 -25 -8  12 o 21.683  2.3603  65.435    13.234    71.865    19.509    59.953    18.012    22.693  3.3067  20.673  3.3690  2.020281       4.720672 
1 1 1 -25 -8  13 o 73.109  2.2090  730.362   43.246    711.887   61.152    748.847   61.167    72.165  3.1637  74.052  3.0838  -1.887085      4.418044 
1 1 1 -25 -8  14 o 56.874  2.0568  441.631   31.262    455.276   44.209    427.983   44.214    57.808  2.8552  55.939  2.9614  1.868904       4.113655 
1 1 1 -25 -8  15 f ?       ?       76.128    64404.78  65.812    91086.48  86.443    91077.75  ?       ?       ?       ?       ?              ?        
1 1 1 -25 -8  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -8  17 o 20.791  3.4730  58.796    16.694    54.807    18.994    72.337    34.997    19.606  3.7536  21.975  5.8444  -2.368944      6.945945 
1 1 1 -25 -8  18 f 28.373  2.2067  111.962   16.396    99.855    23.201    124.039   23.172    26.761  3.3073  29.985  2.9223  -3.224730      4.413349 
1 1 1 -25 -8  19 o 12.571  2.8190  20.335    11.579    33.282    16.251    6.9857    16.502    15.180  3.9567  9.9621  4.0164  5.217438       5.637979 
1 1 1 -25 -8  20 o 72.101  2.2359  715.355   43.179    708.628   60.894    722.157   61.236    71.756  3.1683  72.446  3.1558  -0.6894150     4.471801 
1 1 1 -25 -8  21 o 13.612  2.6184  21.979    12.072    49.929    17.550    -3.1174   16.631    18.659  3.6423  8.5659  3.7626  10.09314       5.236746 
1 1 1 -25 -8  22 o 31.559  2.3031  139.567   18.963    163.191   27.090    116.868   26.554    34.317  2.9767  28.802  3.5150  5.515406       4.606106 
1 1 1 -25 -8  23 o 22.603  2.8065  74.342    16.180    56.581    22.623    92.939    23.149    19.576  4.4193  25.631  3.4604  -6.055201      5.612942 
1 1 1 -25 -8  24 o 33.313  2.3959  156.283   21.056    149.808   29.927    162.630   29.631    32.578  3.4837  34.048  3.2901  -1.469994      4.791749 
1 1 1 -25 -8  25 o 31.680  2.1487  140.796   17.157    138.800   28.741    141.901   21.384    31.292  3.4885  32.068  2.5097  -0.7753849     4.297438 
1 1 1 -25 -8  26 o 21.431  2.7715  72.787    14.196    50.458    23.963    84.861    17.622    18.203  4.8337  24.658  2.7129  -6.455179      5.542941 
1 1 1 -25 -8  27 o 14.666  2.9855  32.478    11.995    27.787    21.501    34.597    14.453    13.981  4.7783  15.352  3.5805  -1.371137      5.970915 
1 1 1 -25 -8  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -8  29 o 38.313  2.2445  200.759   22.093    235.485   37.179    181.803   27.469    40.618  3.4500  36.007  2.8721  4.611256       4.489024 
1 1 1 -25 -8  30 o 40.502  2.4263  244.496   24.109    201.604   40.126    268.727   30.160    37.030  4.1151  43.975  2.5718  -6.944099      4.852650 
1 1 1 -25 -8  31 o 30.824  2.5644  138.277   19.544    135.404   33.251    139.793   24.157    30.162  4.2323  31.486  2.8969  -1.324003      5.128763 
1 1 1 -25 -8  32 o 32.912  2.5972  159.167   20.950    152.799   36.096    162.402   25.726    31.895  4.3378  33.929  2.8575  -2.034462      5.194366 
1 1 1 -25 -8  33 o 22.701  3.1561  83.250    17.150    68.408    30.394    90.183    20.772    20.389  5.4574  25.012  3.1719  -4.622839      6.312203 
1 1 1 -25 -8  34 f 35.234  2.5190  172.183   22.408    217.900   39.272    150.113   27.286    38.242  3.8881  32.225  3.2037  6.017075       5.037957 
1 1 1 -25 -8  35 o 30.113  2.8713  136.505   21.154    144.414   36.915    132.638   25.813    30.113  4.7329  30.112  3.2521  0.1598358E-02  5.742517 
1 1 1 -25 -7  1  o 15.256  2.5155  33.225    10.077    33.607    14.692    32.887    13.846    15.328  3.6338  15.183  3.4793  0.1450148      5.030928 
1 1 1 -25 -7  2  o 66.984  2.0510  611.723   36.769    637.990   51.921    585.297   52.077    68.454  2.8317  65.514  2.9677  2.940460       4.101989 
1 1 1 -25 -7  3  o 39.109  1.9081  208.875   19.853    216.010   28.000    201.662   28.155    39.800  2.6416  38.419  2.7543  1.380623       3.816268 
1 1 1 -25 -7  4  o 9.2980  2.2780  8.8582    7.2769    17.408    11.113    2.4396    9.6283    11.229  3.4015  7.3670  3.0311  3.862048       4.556034 
1 1 1 -25 -7  5  o 29.292  1.9671  118.064   15.177    108.729   21.810    126.828   21.132    28.117  2.9394  30.467  2.6149  -2.350740      3.934200 
1 1 1 -25 -7  6  o 66.996  2.0691  610.320   37.113    627.079   53.448    594.716   51.574    67.878  2.9398  66.113  2.9124  1.764954       4.138161 
1 1 1 -25 -7  7  o 21.665  2.1987  65.524    12.310    61.638    18.083    68.881    16.805    20.997  3.3262  22.332  2.8763  -1.335033      4.397367 
1 1 1 -25 -7  8  o 42.453  1.9316  244.908   21.810    264.903   31.797    227.143   29.971    44.098  2.7051  40.808  2.7582  3.289974       3.863287 
1 1 1 -25 -7  9  o 39.294  1.9522  210.385   20.401    219.431   29.508    202.101   28.237    40.105  2.7639  38.483  2.7577  1.622070       3.904311 
1 1 1 -25 -7  10 o 16.802  2.4753  40.160    10.750    38.233    15.812    41.815    14.660    16.380  3.6923  17.224  3.2977  -0.8443413     4.950571 
1 1 1 -25 -7  11 o 27.585  2.0932  104.738   15.210    103.644   21.890    105.760   21.148    27.426  3.0304  27.743  2.8883  -0.3167248     4.186406 
1 1 1 -25 -7  12 o 12.208  2.4441  19.389    9.6352    2.8735    13.823    34.996    13.437    8.6947  3.6096  15.722  3.2962  -7.027564      4.888164 
1 1 1 -25 -7  13 o 73.964  2.2172  746.612   43.922    753.394   62.048    739.801   62.183    74.308  3.1175  73.619  3.1535  0.6892090      4.434326 
1 1 1 -25 -7  14 o 16.751  2.5772  39.987    11.230    39.662    16.110    40.294    15.664    16.672  3.7038  16.829  3.5847  -0.1570683     5.154417 
1 1 1 -25 -7  15 o 38.276  2.0052  200.537   20.394    209.913   28.899    191.235   28.786    39.190  2.7709  37.361  2.8992  1.829029       4.010413 
1 1 1 -25 -7  16 o 58.590  2.0422  468.802   31.954    492.551   45.140    444.947   45.240    60.146  2.8020  57.034  2.9717  3.111286       4.084363 
1 1 1 -25 -7  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -7  18 o 35.027  4.1717  173.050   38.369    173.050   38.369    0.0000    0.0000    35.027  4.1717  ?       ?       ?              ?        
1 1 1 -25 -7  19 o 37.191  2.0891  190.443   20.625    184.792   29.376    195.938   28.964    36.621  3.0218  37.761  2.8855  -1.140835      4.178229 
1 1 1 -25 -7  20 o 25.862  2.4787  95.894    16.202    72.713    23.270    117.704   22.571    22.538  4.0012  29.185  2.9268  -6.647299      4.957425 
1 1 1 -25 -7  21 o 39.410  2.1497  214.578   22.508    208.807   31.892    220.305   31.769    38.860  3.0895  39.961  2.9898  -1.100769      4.299313 
1 1 1 -25 -7  22 o 28.319  2.4495  112.979   17.861    137.816   25.766    90.005    24.782    31.494  3.0944  25.145  3.7979  6.349258       4.898904 
1 1 1 -25 -7  23 o 31.974  2.0440  139.726   16.769    149.276   27.706    134.205   21.067    32.711  3.2033  31.237  2.5398  1.473736       4.088002 
1 1 1 -25 -7  24 f 20.640  2.5279  60.416    12.753    62.812    22.125    59.223    15.606    20.738  4.1284  20.542  2.9183  0.1958027      5.055724 
1 1 1 -25 -7  25 o 13.521  2.4616  30.143    10.767    -3.5786   19.531    44.867    12.906    9.1916  4.0559  17.850  2.7907  -8.658222      4.923262 
1 1 1 -25 -7  26 o 12.208  2.9453  20.641    11.404    13.879    20.359    23.732    13.766    11.613  4.5311  12.803  3.7642  -1.190013      5.890679 
1 1 1 -25 -7  27 f 62.270  2.1465  536.739   35.162    565.164   55.375    517.535   45.516    63.410  3.2716  61.131  2.7798  2.278381       4.293048 
1 1 1 -25 -7  28 o 23.756  3.1398  80.240    19.489    0.0000    0.0000    80.240    19.489    ?       ?       23.756  3.1398  ?              ?        
1 1 1 -25 -7  29 o 41.296  3.6135  244.665   39.566    244.665   39.566    0.0000    0.0000    41.296  3.6135  ?       ?       ?              ?        
1 1 1 -25 -7  30 o 53.310  2.2759  407.158   31.153    379.517   50.250    424.415   39.704    51.351  3.6778  55.269  2.6821  -3.917347      4.551865 
1 1 1 -25 -7  31 o 20.271  3.0476  69.367    15.289    42.366    26.897    82.255    18.583    16.469  5.3375  24.073  2.9433  -7.603731      6.095258 
1 1 1 -25 -7  32 o 7.7626  2.5269  -7.5746   11.000    -14.6277  21.216    -4.9817   12.864    8.4061  3.9069  7.1192  3.2059  1.286916       5.053827 
1 1 1 -25 -7  33 f 36.510  2.8725  213.068   24.238    153.586   40.988    245.054   30.057    31.252  5.0703  41.768  2.7012  -10.51600      5.744949 
1 1 1 -25 -7  34 o 20.986  3.2169  66.842    16.396    75.382    30.027    63.213    19.572    21.416  5.2703  20.556  3.6903  0.8595600      6.433864 
1 1 1 -25 -7  35 o 27.314  3.1716  121.550   20.206    102.872   35.638    130.399   24.530    24.641  5.5348  29.988  3.0986  -5.347055      6.343161 
1 1 1 -25 -6  1  o 49.723  1.9015  336.768   25.229    334.067   35.457    339.538   35.907    49.522  2.6831  49.923  2.6952  -0.4011116     3.803076 
1 1 1 -25 -6  2  o 72.011  2.1000  706.216   40.503    715.923   57.395    696.586   57.165    72.509  2.9552  71.512  2.9844  0.9976425      4.200019 
1 1 1 -25 -6  3  o 58.804  1.9689  470.197   30.982    451.035   44.072    488.917   43.563    57.597  2.8568  60.012  2.7101  -2.414982      3.937771 
1 1 1 -25 -6  4  o 9.7905  2.2362  11.266    6.9475    19.353    10.705    5.3796    9.1321    11.737  3.2788  7.8440  3.0418  3.892970       4.472476 
1 1 1 -25 -6  5  o 69.916  2.0844  665.069   39.002    657.789   56.122    671.869   54.240    69.521  3.0139  70.310  2.8802  -0.7888260     4.168769 
1 1 1 -25 -6  6  o 44.707  1.9154  271.512   22.804    286.699   33.141    257.855   31.427    45.896  2.7079  43.518  2.7096  2.378159       3.830755 
1 1 1 -25 -6  7  o 51.303  1.9510  357.841   26.689    365.810   38.693    350.608   36.863    51.838  2.7970  50.769  2.7207  1.069260       3.902040 
1 1 1 -25 -6  8  o 40.422  1.9311  222.351   20.769    229.588   30.098    215.772   28.696    41.046  2.7536  39.798  2.7081  1.248341       3.862135 
1 1 1 -25 -6  9  o 63.762  2.0881  552.444   35.651    569.812   51.072    535.939   49.788    64.742  2.9452  62.783  2.9607  1.958714       4.176116 
1 1 1 -25 -6  10 o 10.480  2.4085  14.309    8.0893    7.5421    12.080    19.809    10.892    9.0862  3.5055  11.874  3.3039  -2.787305      4.817066 
1 1 1 -25 -6  11 o 42.977  1.9671  251.891   22.507    245.018   32.085    258.550   31.580    42.380  2.8430  43.573  2.7195  -1.192822      3.934245 
1 1 1 -25 -6  12 o 28.460  2.0733  112.415   15.301    91.273    21.733    133.190   21.544    25.676  3.2317  31.243  2.5980  -5.567247      4.146549 
1 1 1 -25 -6  13 o 28.309  2.0371  110.035   15.224    113.910   21.594    106.205   21.466    28.820  2.8339  27.797  2.9271  1.023329       4.074198 
1 1 1 -25 -6  14 o 27.991  2.0878  107.789   15.411    104.485   21.773    111.107   21.816    27.545  2.9996  28.438  2.9049  -0.8923359     4.175656 
1 1 1 -25 -6  15 o 43.779  1.9675  261.540   22.945    269.154   32.557    254.025   32.343    44.424  2.7496  43.134  2.8149  1.289993       3.934991 
1 1 1 -25 -6  16 o 29.872  2.0909  122.785   16.497    118.065   23.358    127.484   23.303    29.276  3.0223  30.468  2.8901  -1.191643      4.181736 
1 1 1 -25 -6  17 o 53.255  2.0109  387.344   28.578    381.760   40.386    392.944   40.444    52.862  2.8630  53.647  2.8246  -0.7846909     4.021783 
1 1 1 -25 -6  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -6  19 o 29.566  4.4124  124.681   33.872    124.681   33.872    0.0000    0.0000    29.566  4.4124  ?       ?       ?              ?        
1 1 1 -25 -6  20 o 47.088  2.2902  304.685   28.287    298.215   36.830    313.992   44.170    46.591  2.9667  47.586  3.4898  -0.9951553     4.580415 
1 1 1 -25 -6  21 o 36.862  1.9622  187.294   18.727    183.911   29.889    189.480   24.029    36.475  3.0883  37.249  2.4216  -0.7733650     3.924495 
1 1 1 -25 -6  22 o 74.085  2.1637  760.800   42.338    713.185   64.231    797.382   56.299    71.835  3.3383  76.336  2.7535  -4.501083      4.327305 
1 1 1 -25 -6  23 f 11.779  2.7582  18.927    9.8388    15.529    17.516    20.494    11.892    11.549  4.2725  12.009  3.4894  -0.4608459     5.516420 
1 1 1 -25 -6  24 o 30.700  2.1995  130.529   17.099    134.963   28.651    128.077   21.310    30.935  3.5205  30.465  2.6376  0.4694023      4.398975 
1 1 1 -25 -6  25 o 23.411  2.4840  74.150    14.646    95.678    24.671    62.433    18.200    25.887  3.6601  20.935  3.3593  4.951757       4.968061 
1 1 1 -25 -6  26 o 16.511  2.9403  36.084    12.385    55.737    22.387    27.416    14.868    19.321  4.4215  13.700  3.8771  5.621273       5.880638 
1 1 1 -25 -6  27 o 26.041  2.5108  91.054    16.299    119.011   28.694    77.737    19.804    28.711  3.8266  23.371  3.2517  5.339264       5.021585 
1 1 1 -25 -6  28 o 33.023  2.4133  157.587   19.760    147.485   33.367    163.042   24.522    31.826  4.0027  34.221  2.6972  -2.394777      4.826668 
1 1 1 -25 -6  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -6  30 o 30.857  2.6277  140.349   19.721    130.845   33.924    145.201   24.237    29.566  4.4194  32.148  2.8440  -2.581612      5.255427 
1 1 1 -25 -6  31 o 12.314  3.0377  21.390    12.082    13.933    22.253    24.506    14.387    11.744  4.6889  12.883  3.8631  -1.139233      6.075328 
1 1 1 -25 -6  32 o 38.577  2.4836  217.076   23.864    205.844   40.380    223.105   29.584    37.295  4.1106  39.860  2.7885  -2.564663      4.967201 
1 1 1 -25 -6  33 o 10.619  3.0137  7.5374    11.837    21.576    23.035    2.5002    13.798    12.845  4.8687  8.3937  3.5531  4.451488       6.027362 
1 1 1 -25 -6  34 o 32.944  2.5833  150.763   21.298    190.381   37.806    132.345   25.777    35.640  4.0312  30.248  3.2316  5.391521       5.166645 
1 1 1 -25 -6  35 o 12.711  3.1055  24.611    14.260    -1.7958   26.882    34.952    16.822    10.465  4.6793  14.957  4.0841  -4.492129      6.210991 
1 1 1 -25 -5  1  o 45.308  1.9001  279.563   22.950    272.945   32.404    286.223   32.509    44.760  2.7157  45.856  2.6582  -1.095512      3.800136 
1 1 1 -25 -5  2  o 34.997  1.8680  167.406   17.323    153.556   24.614    180.999   24.383    33.522  2.7660  36.473  2.5113  -2.950928      3.735974 
1 1 1 -25 -5  3  o 67.068  2.0393  610.951   36.623    621.452   52.541    601.028   51.076    67.622  2.9008  66.513  2.8670  1.109200       4.078506 
1 1 1 -25 -5  4  o 77.686  2.1667  822.004   45.036    801.784   64.681    841.032   62.746    76.724  3.1474  78.648  2.9786  -1.924187      4.333369 
1 1 1 -25 -5  5  f 90.402  2.3491  1115.54   56.836    1096.43   81.587    1133.56   79.222    89.610  3.3992  91.193  3.2433  -1.583412      4.698269 
1 1 1 -25 -5  6  o 34.669  1.8852  163.627   17.355    167.680   25.202    159.971   23.935    35.070  2.7038  34.267  2.6278  0.8032608      3.770395 
1 1 1 -25 -5  7  o 46.412  1.9470  293.665   24.042    280.557   34.598    305.906   33.433    45.376  2.8613  47.448  2.6412  -2.071705      3.893942 
1 1 1 -25 -5  8  o 28.929  1.9774  114.579   15.113    113.810   21.848    115.285   20.929    28.819  2.8684  29.039  2.7226  -0.2201309     3.954783 
1 1 1 -25 -5  9  o 26.374  2.0275  95.922    14.013    88.307    20.228    102.947   19.430    25.311  3.0448  27.437  2.6781  -2.125830      4.054986 
1 1 1 -25 -5  10 o 43.927  1.9741  262.769   23.104    264.203   32.933    261.379   32.420    44.041  2.8064  43.812  2.7770  0.2293205      3.948117 
1 1 1 -25 -5  11 o 80.959  2.2839  893.610   49.498    926.824   69.941    860.282   70.061    82.495  3.1653  79.424  3.2933  3.071053       4.567870 
1 1 1 -25 -5  12 o 43.192  1.9739  254.386   22.692    265.035   31.977    243.582   32.207    44.126  2.7187  42.258  2.8624  1.867802       3.947738 
1 1 1 -25 -5  13 o 40.360  2.1558  217.514   22.776    193.740   29.246    254.160   36.308    37.645  2.9233  43.075  3.1692  -5.430225      4.311580 
1 1 1 -25 -5  14 o 55.072  2.2461  411.684   32.298    399.705   41.388    430.340   51.651    54.160  2.8632  55.985  3.4614  -1.824562      4.492170 
1 1 1 -25 -5  15 o 35.060  2.1643  167.697   19.839    162.923   25.837    174.555   30.968    34.515  2.8194  35.605  3.2843  -1.090187      4.328509 
1 1 1 -25 -5  16 f 75.643  2.4958  781.422   49.128    767.109   62.481    804.602   79.513    74.984  3.1109  76.303  3.9036  -1.318398      4.991580 
1 1 1 -25 -5  17 o 39.094  2.2540  214.295   22.767    233.928   29.994    187.603   34.972    41.400  2.7200  36.788  3.5951  4.611626       4.508086 
1 1 1 -25 -5  18 o 36.578  1.8520  181.774   17.634    187.096   28.150    178.337   22.623    36.949  2.8668  36.207  2.3454  0.7426643      3.703950 
1 1 1 -25 -5  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -5  20 o 36.147  2.2776  183.587   21.398    206.169   29.032    156.731   31.660    38.771  2.8149  33.523  3.5814  5.248135       4.555233 
1 1 1 -25 -5  21 o 25.105  2.1334  83.095    13.641    107.156   22.939    69.933    16.966    27.772  3.1388  22.438  2.8902  5.334213       4.266807 
1 1 1 -25 -5  22 o 67.342  2.0905  623.323   37.217    614.291   57.167    629.966   49.030    66.783  3.1959  67.901  2.6958  -1.118179      4.181037 
1 1 1 -25 -5  23 o 53.157  2.0357  386.025   28.394    404.684   44.819    373.515   36.698    54.108  3.1055  52.206  2.6329  1.901936       4.071407 
1 1 1 -25 -5  24 f 12.004  2.7879  10.841    11.022    38.821    19.788    -1.7442   13.271    16.235  4.4280  7.7720  3.3887  8.463377       5.575881 
1 1 1 -25 -5  25 o 27.781  2.3111  103.967   16.308    126.883   27.680    91.783    20.183    29.949  3.5176  25.614  2.9986  4.334795       4.622243 
1 1 1 -25 -5  26 o 27.655  2.3724  102.931   16.620    129.326   28.383    89.158    20.502    30.148  3.5852  25.163  3.1080  4.984629       4.744783 
1 1 1 -25 -5  27 o 41.411  2.1845  236.318   23.306    255.913   38.568    225.047   29.251    42.550  3.4128  40.273  2.7278  2.276894       4.368947 
1 1 1 -25 -5  28 o 14.210  2.9915  29.785    11.724    28.562    21.098    30.331    14.102    14.077  4.7337  14.344  3.6590  -0.2669134     5.982959 
1 1 1 -25 -5  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -5  30 o 28.258  2.5590  110.217   18.070    134.502   31.591    98.407    22.030    30.263  3.9950  26.254  3.1990  4.008579       5.117941 
1 1 1 -25 -5  31 o 11.383  2.6458  -5.3649   10.906    46.781    21.722    -22.9395  12.610    17.397  4.5936  5.3687  2.6265  12.02824       5.291518 
1 1 1 -25 -5  32 o 12.349  3.1505  12.531    13.157    39.899    24.409    1.3245    15.620    15.993  5.0744  8.7043  3.7352  7.289022       6.300927 
1 1 1 -25 -5  33 o 29.029  2.8001  122.480   20.125    134.381   34.772    116.485   24.678    29.657  4.5202  28.401  3.3058  1.255976       5.600105 
1 1 1 -25 -5  34 o 16.805  3.3259  46.993    15.576    34.507    27.535    52.869    18.890    14.958  5.3841  18.653  3.9060  -3.695577      6.651715 
1 1 1 -25 -5  35 o 30.355  3.0913  150.417   21.859    118.108   37.275    167.353   26.987    26.607  5.4146  34.104  2.9844  -7.497257      6.182578 
1 1 1 -25 -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -4  6  o 90.925  4.7102  1149.31   114.320   1149.31   114.320   0.0000    0.0000    90.925  4.7102  ?       ?       ?              ?        
1 1 1 -25 -4  7  o 42.467  1.9272  245.006   21.788    258.239   31.454    232.799   30.209    43.576  2.7083  41.358  2.7426  2.218674       3.854430 
1 1 1 -25 -4  8  o 38.340  1.9132  199.903   19.483    217.093   28.023    183.819   27.107    39.958  2.6331  36.722  2.7764  3.235382       3.826421 
1 1 1 -25 -4  9  o 74.546  2.2191  755.922   44.307    758.331   62.990    753.562   62.333    74.659  3.1499  74.432  3.1266  0.2265472      4.438183 
1 1 1 -25 -4  10 o 13.024  2.4398  23.953    8.6327    24.186    12.652    23.750    11.808    13.087  3.5288  12.960  3.3701  0.1267786      4.879577 
1 1 1 -25 -4  11 o 40.644  2.2306  228.503   23.324    236.661   29.866    215.749   37.343    41.709  2.6877  39.580  3.5606  2.128826       4.461158 
1 1 1 -25 -4  12 o 63.687  2.3514  547.870   38.932    528.296   49.273    580.399   63.518    62.358  2.9500  65.015  3.6624  -2.656891      4.702731 
1 1 1 -25 -4  13 o 26.119  2.2778  93.449    15.395    89.291    20.041    99.434    24.047    25.461  2.9960  26.777  3.4317  -1.316143      4.555516 
1 1 1 -25 -4  14 o 44.058  2.7484  264.366   32.271    264.366   32.271    0.0000    0.0000    44.058  2.7484  ?       ?       ?              ?        
1 1 1 -25 -4  15 o 55.623  2.2329  419.087   32.511    403.186   41.781    443.490   51.759    54.391  2.8781  56.855  3.4147  -2.463947      4.465820 
1 1 1 -25 -4  16 o 54.274  2.2319  398.068   31.824    375.412   41.116    431.920   50.258    52.443  2.9389  56.105  3.3599  -3.661446      4.463862 
1 1 1 -25 -4  17 o 17.952  2.7457  45.848    12.791    43.172    17.382    49.009    18.890    17.383  3.8360  18.522  3.9295  -1.139196      5.491447 
1 1 1 -25 -4  18 o 17.358  2.3340  40.604    10.157    50.973    17.039    34.887    12.651    18.996  3.4771  15.721  3.1145  3.274819       4.668007 
1 1 1 -25 -4  19 o 39.339  1.9128  212.070   19.565    208.877   31.021    214.179   25.212    39.003  2.9923  39.675  2.3835  -0.6720581     3.825538 
1 1 1 -25 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -4  21 o 49.922  1.9726  338.629   25.842    356.023   40.774    326.951   33.408    50.900  3.0041  48.944  2.5573  1.956474       3.945133 
1 1 1 -25 -4  22 o 21.794  2.5660  66.006    13.978    73.025    23.366    62.094    17.444    22.565  4.0132  21.023  3.1987  1.541861       5.131999 
1 1 1 -25 -4  23 o 30.960  2.2128  132.675   17.374    135.542   28.938    131.060   21.725    31.064  3.5412  30.856  2.6544  0.2082291      4.425614 
1 1 1 -25 -4  24 o 39.735  2.0519  210.593   21.197    255.266   34.779    184.191   26.737    42.923  3.0448  36.546  2.7515  6.377014       4.103893 
1 1 1 -25 -4  25 o 17.202  2.9038  46.018    12.777    34.095    22.605    51.615    15.488    15.326  4.8855  19.079  3.1400  -3.752251      5.807541 
1 1 1 -25 -4  26 o 22.554  2.5756  69.727    14.244    83.920    25.287    63.131    17.239    24.001  4.0796  21.108  3.1451  2.892330       5.151220 
1 1 1 -25 -4  27 o 13.950  3.0518  25.751    11.916    37.863    21.367    20.284    14.355    15.883  4.6952  12.017  3.8998  3.865895       6.103553 
1 1 1 -25 -4  28 o 28.219  2.6625  119.699   18.121    100.199   30.269    130.590   22.622    25.873  4.5331  30.566  2.7940  -4.693691      5.324992 
1 1 1 -25 -4  29 o 19.440  3.6578  55.394    18.347    0.0000    0.0000    55.394    18.347    ?       ?       19.440  3.6578  ?              ?        
1 1 1 -25 -4  30 o 35.280  2.3886  173.003   21.579    197.853   36.156    159.255   26.894    36.988  3.6991  33.573  3.0232  3.415493       4.777291 
1 1 1 -25 -4  31 o 18.175  3.1259  53.471    14.793    39.735    25.679    60.294    18.098    16.011  5.2169  20.339  3.4450  -4.328543      6.251704 
1 1 1 -25 -4  32 o 17.197  3.1111  50.268    15.118    24.002    26.311    63.213    18.471    13.578  5.1897  20.816  3.4326  -7.238006      6.222183 
1 1 1 -25 -4  33 o 15.589  3.3723  37.127    14.551    39.218    26.862    36.259    17.310    15.791  5.3411  15.387  4.1186  0.4034863      6.744683 
1 1 1 -25 -4  34 o 30.095  2.8040  136.099   20.561    133.771   35.479    137.276   25.229    29.288  4.6803  30.903  3.0894  -1.615473      5.607983 
1 1 1 -25 -4  35 o 10.617  2.9497  12.230    12.939    -6.8326   23.679    20.344    15.449    9.4374  4.2896  11.797  4.0500  -2.359110      5.899426 
1 1 1 -25 -3  1  o 65.192  1.9961  576.924   34.827    574.446   50.185    579.226   48.371    65.039  2.8808  65.345  2.7637  -0.3060379     3.992129 
1 1 1 -25 -3  2  o 66.467  2.0307  599.436   36.135    607.582   52.066    591.867   50.190    66.892  2.9060  66.042  2.8373  0.8495789      4.061418 
1 1 1 -25 -3  3  o 40.794  1.8301  225.952   19.883    232.168   28.701    220.216   27.569    41.331  2.6060  40.257  2.5702  1.074032       3.660190 
1 1 1 -25 -3  4  o 13.385  2.1680  25.549    7.6114    22.097    11.211    28.501    10.367    12.513  3.2983  14.258  2.8145  -1.744270      4.335936 
1 1 1 -25 -3  5  o 74.782  2.1803  760.600   43.639    742.614   62.416    777.800   61.036    73.891  3.1537  75.672  3.0114  -1.781578      4.360514 
1 1 1 -25 -3  6  o 33.290  1.8736  150.861   16.560    154.003   23.858    147.941   23.005    33.622  2.6712  32.958  2.6278  0.6635437      3.747106 
1 1 1 -25 -3  7  o ?       ?       78.251    22758.35  61.929    27875.95  110.877   39410.79  ?       ?       ?       ?       ?              ?        
1 1 1 -25 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -3  10 o 22.152  2.3013  66.186    13.042    53.980    16.932    83.995    20.452    19.647  3.3368  24.657  3.1701  -5.010206      4.602636 
1 1 1 -25 -3  11 o 81.433  3.1708  902.300   69.161    902.300   69.161    0.0000    0.0000    81.433  3.1708  ?       ?       ?              ?        
1 1 1 -25 -3  12 o 17.237  3.3692  41.856    14.998    41.856    14.998    0.0000    0.0000    17.237  3.3692  ?       ?       ?              ?        
1 1 1 -25 -3  13 o 32.115  2.7561  140.848   23.478    140.848   23.478    0.0000    0.0000    32.115  2.7561  ?       ?       ?              ?        
1 1 1 -25 -3  14 o 3.5739  1.8078  -29.8253  8.5641    -29.8253  8.5641    0.0000    0.0000    3.5739  1.8078  ?       ?       ?              ?        
1 1 1 -25 -3  15 o 48.245  2.8320  317.165   36.435    317.165   36.435    0.0000    0.0000    48.245  2.8320  ?       ?       ?              ?        
1 1 1 -25 -3  16 o 38.144  2.8477  198.800   28.884    198.800   28.884    0.0000    0.0000    38.144  2.8477  ?       ?       ?              ?        
1 1 1 -25 -3  17 f 29.155  3.0027  116.965   23.113    116.965   23.113    0.0000    0.0000    29.155  3.0027  ?       ?       ?              ?        
1 1 1 -25 -3  18 o 36.986  1.9899  193.556   18.692    160.421   29.468    215.863   24.179    34.097  3.2667  39.876  2.2732  -5.779507      3.979757 
1 1 1 -25 -3  19 o 31.371  2.1346  143.202   16.445    109.021   26.433    164.787   21.006    27.928  3.6188  34.814  2.2650  -6.886805      4.269122 
1 1 1 -25 -3  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -3  21 o 53.619  2.0034  391.155   28.209    404.960   44.486    381.872   36.480    54.274  3.0728  52.964  2.5715  1.309731       4.006808 
1 1 1 -25 -3  22 o 31.772  2.0927  137.303   17.037    148.120   28.257    131.124   21.356    32.638  3.2765  30.906  2.6041  1.732834       4.185311 
1 1 1 -25 -3  23 o 63.523  2.1049  549.176   35.366    587.185   55.215    522.734   46.053    65.268  3.1584  61.778  2.7832  3.489571       4.209705 
1 1 1 -25 -3  24 f 39.681  2.1358  217.031   21.869    222.923   35.597    213.459   27.717    39.959  3.3570  39.403  2.6415  0.5556908      4.271659 
1 1 1 -25 -3  25 o 30.974  2.3380  136.942   18.041    127.006   30.088    142.519   22.542    29.819  3.8575  32.130  2.6428  -2.310553      4.676006 
1 1 1 -25 -3  26 f 14.956  3.0822  33.064    12.708    30.663    22.161    34.240    15.512    14.633  4.8502  15.280  3.8047  -0.6472054     6.164417 
1 1 1 -25 -3  27 o 16.339  3.0393  38.663    12.751    43.256    22.935    36.608    15.341    16.888  4.8281  15.789  3.6932  1.099069       6.078640 
1 1 1 -25 -3  28 f 25.098  2.6245  88.357    16.559    102.918   27.839    80.385    20.598    26.497  4.0513  23.700  3.3374  2.797174       5.248932 
1 1 1 -25 -3  29 o 5.7988  2.7435  -12.3176  11.289    0.0000    0.0000    -12.3176  11.289    ?       ?       5.7988  2.7435  ?              ?        
1 1 1 -25 -3  30 o 7.0333  2.3206  -13.3487  9.8136    -3.7182   17.470    -17.7888  11.862    8.5628  3.8043  5.5038  2.6585  3.058930       4.641114 
1 1 1 -25 -3  31 o 34.874  2.4274  170.174   21.674    193.642   36.213    157.076   27.055    36.477  3.7604  33.271  3.0705  3.206017       4.854737 
1 1 1 -25 -3  32 o 16.587  3.2469  44.975    15.044    30.696    26.436    51.813    18.296    14.541  5.2696  18.633  3.7947  -4.092112      6.493750 
1 1 1 -25 -3  33 o 24.785  3.0361  91.401    18.407    99.890    32.059    87.227    22.482    25.182  4.9295  24.387  3.5456  0.7947521      6.072142 
1 1 1 -25 -3  34 o 33.487  2.5865  157.573   21.993    195.954   37.689    137.755   27.082    36.204  3.9507  30.770  3.3396  5.434221       5.173071 
1 1 1 -25 -3  35 o 13.210  3.3442  26.638    14.812    17.411    27.550    30.389    17.568    12.497  5.1328  13.924  4.2883  -1.426534      6.688455 
1 1 1 -25 -2  1  o 17.021  1.9241  40.276    8.4562    39.124    12.289    41.312    11.654    16.759  2.8389  17.283  2.5980  -0.5235157     3.848209 
1 1 1 -25 -2  2  o 18.460  1.9096  47.405    9.0968    43.145    13.211    51.246    12.544    17.608  2.9023  19.313  2.4825  -1.704308      3.819197 
1 1 1 -25 -2  3  o 31.846  1.8430  138.793   15.500    126.420   22.278    150.400   21.578    30.422  2.7642  33.270  2.4384  -2.848461      3.686013 
1 1 1 -25 -2  4  o 50.751  1.9053  349.747   25.800    350.210   36.930    349.306   36.060    50.776  2.7254  50.726  2.6633  0.4977798E-01  3.810605 
1 1 1 -25 -2  5  o 49.937  1.9460  338.892   25.918    335.634   37.059    342.012   36.260    49.690  2.7958  50.184  2.7076  -0.4942131     3.891986 
1 1 1 -25 -2  6  o 49.325  1.8982  330.126   24.940    357.178   35.764    304.520   34.795    51.314  2.6107  47.335  2.7563  3.979130       3.796474 
1 1 1 -25 -2  7  f 38.257  1.9251  199.922   19.510    182.229   27.895    216.867   27.298    36.551  2.8724  39.963  2.5638  -3.411316      3.850163 
1 1 1 -25 -2  8  o 57.229  1.9633  449.273   29.505    413.988   45.049    475.777   39.044    55.126  3.0631  59.333  2.4568  -4.206463      3.926628 
1 1 1 -25 -2  9  o 55.778  1.8599  416.118   27.596    464.040   42.155    380.183   36.504    58.542  2.6884  53.013  2.5708  5.528152       3.719753 
1 1 1 -25 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -2  11 f 9.2058  3.1663  10.531    9.4451    10.531    9.4451    0.0000    0.0000    9.2058  3.1663  ?       ?       ?              ?        
1 1 1 -25 -2  12 o 36.082  2.7042  177.341   25.944    177.341   25.944    0.0000    0.0000    36.082  2.7042  ?       ?       ?              ?        
1 1 1 -25 -2  13 o 97.804  3.4451  1305.91   90.249    1305.91   90.249    0.0000    0.0000    97.804  3.4451  ?       ?       ?              ?        
1 1 1 -25 -2  14 o 65.697  2.9353  586.411   51.652    586.411   51.652    0.0000    0.0000    65.697  2.9353  ?       ?       ?              ?        
1 1 1 -25 -2  15 o 49.105  2.8262  328.455   37.015    328.455   37.015    0.0000    0.0000    49.105  2.8262  ?       ?       ?              ?        
1 1 1 -25 -2  16 o 54.696  2.8443  407.589   41.527    407.589   41.527    0.0000    0.0000    54.696  2.8443  ?       ?       ?              ?        
1 1 1 -25 -2  17 o 19.276  3.6738  52.616    18.275    52.616    18.275    0.0000    0.0000    19.276  3.6738  ?       ?       ?              ?        
1 1 1 -25 -2  18 o 68.549  2.0960  648.654   37.820    586.644   57.364    696.332   50.300    65.485  3.2705  71.614  2.6223  -6.129440      4.191936 
1 1 1 -25 -2  19 o 31.474  2.0450  135.604   16.541    138.202   26.897    134.024   20.976    31.622  3.2205  31.325  2.5214  0.2973461      4.090098 
1 1 1 -25 -2  20 o ?       ?       679.249   41118.41  699.253   50362.88  639.256   71209.77  ?       ?       ?       ?       ?              ?        
1 1 1 -25 -2  21 o 57.299  4.4347  463.423   67.532    463.423   67.532    0.0000    0.0000    57.299  4.4347  ?       ?       ?              ?        
1 1 1 -25 -2  22 o 21.770  2.5268  70.011    13.308    57.961    22.236    76.736    16.611    19.972  4.2851  23.568  2.6791  -3.596411      5.053632 
1 1 1 -25 -2  23 o 49.139  2.0590  330.991   26.473    340.255   41.870    324.821   34.170    49.588  3.1689  48.691  2.6298  0.8976288      4.118013 
1 1 1 -25 -2  24 o 27.237  2.5383  110.037   16.760    87.620    27.341    123.531   21.213    24.555  4.3145  29.918  2.6753  -5.362856      5.076631 
1 1 1 -25 -2  25 o 39.509  2.2373  220.842   22.571    204.463   36.418    231.058   28.762    38.059  3.6159  40.960  2.6356  -2.901089      4.474524 
1 1 1 -25 -2  26 o 19.827  2.7236  52.900    13.559    78.764    22.970    39.066    16.799    23.354  3.8030  16.300  3.9000  7.053885       5.447245 
1 1 1 -25 -2  27 o 8.5581  2.5574  2.1101    10.110    -10.2979  18.324    7.5397    12.122    8.1591  3.7335  8.9571  3.4959  -0.7980194     5.114714 
1 1 1 -25 -2  28 o 31.791  2.4610  146.144   19.666    137.498   32.229    151.273   24.822    30.702  4.0154  32.880  2.8465  -2.178411      4.922041 
1 1 1 -25 -2  29 o 24.887  3.2018  88.421    20.848    0.0000    0.0000    88.421    20.848    ?       ?       24.887  3.2018  ?              ?        
1 1 1 -25 -2  30 o 10.968  3.0212  6.5328    12.893    27.522    22.195    -4.1570   15.840    13.849  4.8486  8.0873  3.6059  5.761341       6.042445 
1 1 1 -25 -2  31 o 25.485  2.7122  91.715    17.179    109.711   29.737    82.700    21.046    27.063  4.2418  23.907  3.3810  3.155960       5.424417 
1 1 1 -25 -2  32 o 14.072  3.1588  31.059    13.783    16.725    24.548    37.658    16.657    12.373  4.9295  15.771  3.9513  -3.398200      6.317664 
1 1 1 -25 -2  33 o 30.278  2.6340  129.822   20.014    153.530   34.590    117.893   24.538    31.987  4.1340  28.569  3.2652  3.417532       5.268024 
1 1 1 -25 -2  34 o 33.758  2.7921  175.516   22.800    154.077   38.589    187.014   28.261    31.333  4.7467  36.183  2.9415  -4.849930      5.584268 
1 1 1 -25 -2  35 o 15.996  3.5047  39.097    15.432    52.401    28.607    33.636    18.327    17.441  5.4889  14.552  4.3593  2.889732       7.009367 
1 1 1 -25 -1  1  o 28.803  1.7346  112.854   13.248    116.157   19.125    109.806   18.369    29.208  2.4676  28.398  2.4385  0.8098049      3.469221 
1 1 1 -25 -1  2  o 16.858  1.7914  39.237    7.8350    40.183    11.294    38.359    10.878    17.054  2.5509  16.661  2.5159  0.3923225      3.582871 
1 1 1 -25 -1  3  o 92.492  2.2857  1164.30   56.386    1159.75   83.561    1168.10   76.404    92.258  3.3815  92.726  3.0763  -0.4682007     4.571419 
1 1 1 -25 -1  4  o 33.067  1.7249  150.636   14.790    137.755   23.023    159.686   19.299    31.781  2.7312  34.353  2.1076  -2.571737      3.449843 
1 1 1 -25 -1  5  o 53.266  1.8393  385.013   25.892    379.469   39.525    389.181   34.269    52.851  2.8021  53.681  2.3833  -0.8299751     3.678595 
1 1 1 -25 -1  6  o 32.222  1.6536  136.684   13.949    173.273   21.943    111.868   18.071    35.757  2.3033  28.687  2.3732  7.070337       3.307179 
1 1 1 -25 -1  7  o 14.858  1.9758  32.524    7.2695    24.435    11.701    37.608    9.2769    13.149  3.3215  16.567  2.1407  -3.418210      3.951562 
1 1 1 -25 -1  8  o 71.596  2.0896  698.375   39.681    672.378   59.810    718.815   53.035    70.330  3.1750  72.862  2.7175  -2.532448      4.179189 
1 1 1 -25 -1  9  o 16.952  2.0829  43.522    8.5541    27.992    13.596    53.698    11.005    14.056  3.5965  19.849  2.1020  -5.793182      4.165731 
1 1 1 -25 -1  10 o 43.546  2.6978  257.718   31.311    257.718   31.311    0.0000    0.0000    43.546  2.6978  ?       ?       ?              ?        
1 1 1 -25 -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -1  12 o 51.123  2.7180  355.082   37.085    355.082   37.085    0.0000    0.0000    51.123  2.7180  ?       ?       ?              ?        
1 1 1 -25 -1  13 o 83.580  3.1613  950.718   70.772    950.718   70.772    0.0000    0.0000    83.580  3.1613  ?       ?       ?              ?        
1 1 1 -25 -1  14 o 34.742  2.8574  164.913   26.354    164.913   26.354    0.0000    0.0000    34.742  2.8574  ?       ?       ?              ?        
1 1 1 -25 -1  15 f 69.836  3.0176  663.460   56.446    663.460   56.446    0.0000    0.0000    69.836  3.0176  ?       ?       ?              ?        
1 1 1 -25 -1  16 o 26.737  3.1704  98.762    22.263    98.762    22.263    0.0000    0.0000    26.737  3.1704  ?       ?       ?              ?        
1 1 1 -25 -1  17 o 25.926  3.1458  92.967    21.398    92.967    21.398    0.0000    0.0000    25.926  3.1458  ?       ?       ?              ?        
1 1 1 -25 -1  18 o 18.068  2.5061  45.173    11.343    50.603    18.910    42.122    14.176    18.833  3.8778  17.303  3.1758  1.530375       5.012285 
1 1 1 -25 -1  19 o 25.639  2.2347  92.666    14.321    85.629    23.442    96.856    18.090    24.693  3.6548  26.586  2.5725  -1.893690      4.469344 
1 1 1 -25 -1  20 o 26.575  2.2358  98.630    14.993    95.532    24.508    100.483   18.953    26.099  3.6018  27.051  2.6499  -0.9519558     4.471534 
1 1 1 -25 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 -1  22 o 55.188  2.0781  418.106   30.174    417.781   46.861    418.336   39.436    55.013  3.1940  55.362  2.6595  -0.3491669     4.156232 
1 1 1 -25 -1  23 o 38.655  2.1321  207.261   21.305    203.637   34.071    209.588   27.301    38.228  3.3617  39.081  2.6233  -0.8535347     4.264100 
1 1 1 -25 -1  24 o 64.077  2.2349  576.089   37.506    521.088   57.227    617.502   49.657    61.077  3.5129  67.077  2.7639  -5.999641      4.469831 
1 1 1 -25 -1  25 o 37.547  2.1444  190.755   20.969    223.870   33.941    170.313   26.667    40.051  3.1904  35.044  2.8661  5.006706       4.288723 
1 1 1 -25 -1  26 o 28.714  2.3136  111.014   17.050    145.535   27.916    90.475    21.533    32.140  3.2891  25.288  3.2546  6.852570       4.627203 
1 1 1 -25 -1  27 o 41.377  2.1990  237.847   23.700    251.534   37.871    229.036   30.386    42.183  3.3803  40.571  2.8135  1.611237       4.397964 
1 1 1 -25 -1  28 o 27.506  2.4820  106.038   17.381    120.057   28.689    97.908    21.848    28.758  3.8189  26.253  3.1712  2.505585       4.963911 
1 1 1 -25 -1  29 o 19.704  3.5620  56.755    18.107    0.0000    0.0000    56.755    18.107    ?       ?       19.704  3.5620  ?              ?        
1 1 1 -25 -1  30 o 10.082  2.8437  9.2295    11.709    0.3106    19.588    14.189    14.607    9.5089  4.1318  10.654  3.9084  -1.145500      5.687492 
1 1 1 -25 -1  31 o 11.981  2.7504  17.674    13.130    -20.4884  22.682    36.906    16.102    8.3033  3.9163  15.659  3.8629  -7.355913      5.500871 
1 1 1 -25 -1  32 f 22.246  3.0126  69.635    16.622    97.314    28.985    56.071    20.290    25.251  4.4480  19.241  4.0644  6.009352       6.025296 
1 1 1 -25 -1  33 f 26.398  2.8616  100.763   18.684    118.827   32.512    91.855    22.831    27.770  4.5269  25.026  3.5019  2.744434       5.723254 
1 1 1 -25 -1  34 o 9.3382  2.7329  5.5488    11.599    -18.5134  23.265    13.507    13.380    8.4642  3.9843  10.212  3.7415  -1.747848      5.465709 
1 1 1 -25 -1  35 o 24.888  3.3459  107.563   19.650    79.171    34.600    121.081   23.874    20.998  5.9049  28.779  3.1485  -7.781176      6.691812 
1 1 1 -25 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 0   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 0   6  o 29.410  1.6379  115.058   12.654    134.357   19.776    101.679   16.466    31.459  2.3642  27.360  2.2674  4.099371       3.275731 
1 1 1 -25 0   7  o 91.266  2.3579  1141.84   57.101    1059.36   84.816    1210.22   77.223    88.112  3.5938  94.421  3.0535  -6.308380      4.715835 
1 1 1 -25 0   8  o 60.268  1.9023  485.530   30.506    548.341   46.485    438.017   40.430    63.640  2.7271  56.895  2.6530  6.744743       3.804658 
1 1 1 -25 0   9  o 64.871  1.9628  569.032   33.927    579.966   50.846    560.257   45.550    65.397  2.9027  64.345  2.6429  1.052460       3.925690 
1 1 1 -25 0   10 f 46.189  2.6598  289.707   32.767    289.707   32.767    0.0000    0.0000    46.189  2.6598  ?       ?       ?              ?        
1 1 1 -25 0   11 o 44.509  2.6537  269.116   31.492    269.116   31.492    0.0000    0.0000    44.509  2.6537  ?       ?       ?              ?        
1 1 1 -25 0   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 0   13 o 47.944  2.7530  312.622   35.206    312.622   35.206    0.0000    0.0000    47.944  2.7530  ?       ?       ?              ?        
1 1 1 -25 0   14 o 60.715  2.9226  500.747   47.529    500.747   47.529    0.0000    0.0000    60.715  2.9226  ?       ?       ?              ?        
1 1 1 -25 0   15 o 65.769  3.0120  588.434   53.059    588.434   53.059    0.0000    0.0000    65.769  3.0120  ?       ?       ?              ?        
1 1 1 -25 0   16 o 53.032  2.9430  383.691   41.640    383.691   41.640    0.0000    0.0000    53.032  2.9430  ?       ?       ?              ?        
1 1 1 -25 0   17 o 24.765  2.3463  91.881    13.781    64.568    22.374    108.575   17.492    21.296  4.0709  28.233  2.3340  -6.937168      4.692541 
1 1 1 -25 0   18 o 24.314  2.1426  81.046    13.243    84.953    21.669    78.717    16.732    24.694  3.3637  23.934  2.6548  0.7603912      4.285116 
1 1 1 -25 0   19 o 17.799  2.5641  46.114    11.404    40.889    18.864    49.123    14.316    16.834  4.1979  18.764  2.9454  -1.929512      5.128178 
1 1 1 -25 0   20 o 41.102  1.9974  230.318   21.484    237.676   33.827    225.344   27.813    41.572  3.0594  40.632  2.5688  0.9401779      3.994859 
1 1 1 -25 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 0   22 o 54.711  2.0576  407.810   29.756    435.675   45.911    387.626   39.074    56.240  3.0593  53.181  2.7525  3.058823       4.115291 
1 1 1 -25 0   23 o 39.808  2.1713  223.898   22.202    198.515   34.881    241.185   28.786    37.669  3.4970  41.946  2.5746  -4.276752      4.342534 
1 1 1 -25 0   24 o 30.875  2.5795  145.733   18.809    99.067    30.232    175.201   24.024    26.040  4.4972  35.710  2.5281  -9.669743      5.159033 
1 1 1 -25 0   25 o 17.015  2.9285  42.791    12.861    41.595    21.478    43.460    16.058    16.703  4.6366  17.327  3.5785  -0.6241951     5.856967 
1 1 1 -25 0   26 o 52.055  2.1456  373.805   29.370    399.600   46.086    356.166   38.111    53.419  3.2362  50.692  2.8180  2.727459       4.291197 
1 1 1 -25 0   27 o 16.406  2.9089  43.813    13.317    21.822    22.345    55.927    16.584    13.059  4.8269  19.752  3.2476  -6.692261      5.817724 
1 1 1 -25 0   28 o 18.246  3.0129  53.582    14.199    37.555    24.312    61.879    17.493    15.738  5.0718  20.754  3.2536  -5.016210      6.025764 
1 1 1 -25 0   29 o 21.476  3.4461  66.923    19.153    0.0000    0.0000    66.923    19.153    ?       ?       21.476  3.4461  ?              ?        
1 1 1 -25 0   30 o 26.888  2.6674  104.082   17.999    113.061   30.110    99.091    22.451    27.503  4.2224  26.272  3.2605  1.230158       5.334724 
1 1 1 -25 0   31 o 9.9066  2.8470  4.8130    11.338    17.596    20.041    -1.2041   13.750    11.946  4.5381  7.8669  3.4392  4.079383       5.694034 
1 1 1 -25 0   32 o 25.024  2.8639  89.302    17.895    112.262   30.569    77.332    22.072    27.199  4.3422  22.849  3.7356  4.349333       5.727899 
1 1 1 -25 0   33 o 12.264  3.1192  21.026    14.033    0.3969    25.402    30.087    16.836    10.525  4.6358  14.002  4.1745  -3.477653      6.238358 
1 1 1 -25 0   34 o 18.728  3.3628  57.111    16.258    54.880    28.651    58.170    19.745    17.968  5.4659  19.487  3.9187  -1.518705      6.725505 
1 1 1 -25 0   35 o 8.0094  2.6237  -11.0618  11.693    0.8104    22.302    -15.5627  13.732    9.8123  4.3317  6.2065  2.9618  3.605776       5.247474 
1 1 1 -25 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   7  o 37.567  3.4171  229.542   28.139    104.815   43.633    318.345   36.817    26.745  6.2101  48.389  2.8533  -21.64399      6.834197 
1 1 1 -25 1   8  o 54.940  1.8521  403.096   27.070    455.918   41.304    363.324   35.840    58.047  2.6566  51.833  2.5815  6.213882       3.704283 
1 1 1 -25 1   9  f 40.714  1.7588  225.637   18.874    219.238   28.680    230.525   25.066    40.159  2.6817  41.268  2.2765  -1.109348      3.517658 
1 1 1 -25 1   10 o 39.809  2.5969  215.293   27.538    215.293   27.538    0.0000    0.0000    39.809  2.5969  ?       ?       ?              ?        
1 1 1 -25 1   11 o 56.226  2.7311  428.291   41.131    428.291   41.131    0.0000    0.0000    56.226  2.7311  ?       ?       ?              ?        
1 1 1 -25 1   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   13 o 52.633  2.7997  376.777   39.327    376.777   39.327    0.0000    0.0000    52.633  2.7997  ?       ?       ?              ?        
1 1 1 -25 1   14 o 49.127  2.8442  328.691   37.266    328.691   37.266    0.0000    0.0000    49.127  2.8442  ?       ?       ?              ?        
1 1 1 -25 1   15 o 100.167 3.5741  1373.91   95.892    1373.91   95.892    0.0000    0.0000    100.167 3.5741  ?       ?       ?              ?        
1 1 1 -25 1   16 o 43.244  1.8752  249.089   21.336    289.843   33.639    221.660   27.598    46.127  2.7349  40.361  2.5662  5.766575       3.750369 
1 1 1 -25 1   17 o 46.889  1.9210  296.391   23.774    321.360   36.885    278.646   31.095    48.525  2.8504  45.253  2.5761  3.271790       3.841977 
1 1 1 -25 1   18 o 10.379  2.1605  14.803    7.6726    -2.9923   12.817    24.743    9.5786    7.5120  3.3013  13.246  2.7880  -5.734100      4.321018 
1 1 1 -25 1   19 o 38.434  1.9880  198.724   20.045    223.505   31.657    182.141   25.898    40.366  2.9484  36.501  2.6674  3.865204       3.975904 
1 1 1 -25 1   20 o 40.546  2.0647  229.740   21.657    205.126   33.635    247.172   28.305    38.514  3.2921  42.578  2.4928  -4.063679      4.129411 
1 1 1 -25 1   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   22 o 29.378  2.2617  122.936   16.750    108.856   26.797    131.965   21.458    27.766  3.6949  30.991  2.6093  -3.225071      4.523390 
1 1 1 -25 1   23 o 29.918  2.2636  126.658   17.149    117.805   27.690    132.167   21.843    28.864  3.6641  30.971  2.6589  -2.106745      4.527149 
1 1 1 -25 1   24 o 21.277  2.7158  68.423    14.101    54.638    23.316    76.373    17.707    19.165  4.6004  23.389  2.8877  -4.223583      5.431648 
1 1 1 -25 1   25 f 50.506  2.1409  352.456   28.415    366.886   44.408    342.453   36.974    51.238  3.2526  49.775  2.7845  1.463455       4.281708 
1 1 1 -25 1   26 o 31.074  2.3657  137.660   18.643    132.439   30.284    140.846   23.656    30.348  3.8095  31.799  2.8062  -1.451714      4.731473 
1 1 1 -25 1   27 o 37.349  2.2824  197.552   21.922    194.580   35.294    199.418   27.972    36.871  3.6205  37.827  2.7803  -0.9553452     4.564839 
1 1 1 -25 1   28 o 31.847  2.5029  149.520   19.839    131.165   32.253    160.690   25.162    29.819  4.1508  33.876  2.7982  -4.056629      5.005870 
1 1 1 -25 1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 1   30 o 44.815  2.3217  284.102   26.977    298.328   43.598    275.276   34.340    45.431  3.6127  44.199  2.9171  1.232002       4.643343 
1 1 1 -25 1   31 o 30.462  2.5976  132.525   19.913    146.724   33.798    124.976   24.644    31.375  4.1215  29.548  3.1629  1.826754       5.195277 
1 1 1 -25 1   32 o 11.481  3.1250  16.019    13.515    3.6062    25.086    21.095    16.042    10.840  4.6931  12.122  4.1275  -1.281348      6.249931 
1 1 1 -25 1   33 o 11.985  3.2411  15.568    13.744    28.937    24.570    9.4785    16.581    13.951  5.0765  10.019  4.0308  3.931814       6.482107 
1 1 1 -25 1   34 o 26.461  3.3204  119.201   20.513    89.774    35.751    133.643   25.046    22.603  5.8573  30.319  3.1292  -7.715429      6.640735 
1 1 1 -25 1   35 o 10.349  2.9294  7.4951    14.534    -29.7806  26.323    23.842    17.432    8.2502  3.9789  12.447  4.3004  -4.197260      5.858785 
1 1 1 -25 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   8  o 68.806  2.0098  637.728   36.863    679.757   55.478    604.502   49.328    70.800  2.9255  66.812  2.7564  3.987389       4.019513 
1 1 1 -25 2   9  o 69.554  2.0311  662.301   37.427    598.222   55.396    716.117   50.767    66.353  3.1169  72.755  2.6051  -6.402016      4.062236 
1 1 1 -25 2   10 f 33.358  1.7069  151.921   14.920    146.107   22.903    156.207   19.665    32.754  2.6328  33.962  2.1732  -1.207745      3.413895 
1 1 1 -25 2   11 o 72.999  2.0347  726.137   39.506    691.919   58.615    754.618   53.477    71.353  3.0670  74.646  2.6747  -3.293098      4.069445 
1 1 1 -25 2   12 o 68.113  2.9299  629.940   53.454    629.940   53.454    0.0000    0.0000    68.113  2.9299  ?       ?       ?              ?        
1 1 1 -25 2   13 o 45.367  2.1915  283.714   25.786    293.145   33.307    269.605   40.738    46.432  2.6897  44.302  3.4606  2.130062       4.382937 
1 1 1 -25 2   14 o 59.122  1.9270  472.160   30.272    489.060   46.134    459.383   40.116    60.006  2.8704  58.237  2.5717  1.768787       3.853939 
1 1 1 -25 2   15 o 57.095  1.9278  437.802   29.262    479.323   44.822    406.957   38.631    59.404  2.8170  54.785  2.6326  4.618992       3.855633 
1 1 1 -25 2   16 o 48.115  1.9324  315.613   24.456    313.767   37.769    316.947   32.092    47.925  2.9568  48.306  2.4888  -0.3811493     3.864819 
1 1 1 -25 2   17 o 15.254  2.5245  31.772    9.9751    41.104    16.141    26.004    12.688    16.987  3.6559  13.520  3.4824  3.466289       5.048998 
1 1 1 -25 2   18 o 33.316  2.0063  152.558   17.391    150.310   27.231    154.106   22.600    33.028  3.1150  33.605  2.5293  -0.5768929     4.012581 
1 1 1 -25 2   19 f 27.709  2.1403  105.087   15.324    111.311   24.423    101.047   19.679    28.312  3.2816  27.106  2.7485  1.205740       4.280542 
1 1 1 -25 2   20 f 59.193  2.1163  484.388   32.994    451.258   49.992    509.956   43.917    57.215  3.2758  61.172  2.6804  -3.957321      4.232635 
1 1 1 -25 2   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   22 o 23.750  2.3954  79.625    14.351    78.651    23.155    80.233    18.286    23.478  3.8129  24.022  2.9007  -0.5440865     4.790822 
1 1 1 -25 2   23 o 29.690  2.2491  122.204   17.138    127.174   27.748    119.138   21.791    30.046  3.5143  29.333  2.8078  0.7129555      4.498256 
1 1 1 -25 2   24 o 24.955  2.5146  88.466    15.861    89.128    25.595    88.054    20.208    24.852  3.9793  25.057  3.0755  -0.2050991     5.029299 
1 1 1 -25 2   25 o 19.743  2.8734  61.796    14.229    40.914    23.285    74.241    17.976    16.513  4.9062  22.973  2.9924  -6.459860      5.746794 
1 1 1 -25 2   26 o 47.093  2.2009  309.667   27.064    315.985   42.798    305.456   34.935    47.294  3.4013  46.893  2.7941  0.4009972      4.401787 
1 1 1 -25 2   27 o 50.545  2.2131  353.389   29.420    396.299   46.350    324.437   38.073    52.958  3.2839  48.132  2.9677  4.825722       4.426178 
1 1 1 -25 2   28 o 25.512  2.8570  99.061    17.790    85.647    29.294    106.900   22.393    23.598  4.7981  27.425  3.1029  -3.827679      5.714051 
1 1 1 -25 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 2   30 o 22.315  3.0127  72.489    16.584    85.839    28.819    65.879    20.278    23.528  4.7370  21.102  3.7238  2.426315       6.025387 
1 1 1 -25 2   31 o 10.726  2.9106  12.222    12.700    -8.7113   22.791    21.650    15.295    9.2356  4.2020  12.216  4.0285  -2.980277      5.821105 
1 1 1 -25 2   32 o 9.8932  2.9889  4.7883    13.322    -1.8223   24.600    7.5315    15.847    10.182  4.5195  9.6041  3.9127  0.5780764      5.977842 
1 1 1 -25 2   33 o 37.553  2.6350  210.651   24.463    203.931   41.855    214.137   30.148    36.404  4.3804  38.702  2.9300  -2.297699      5.269979 
1 1 1 -25 2   34 o 10.462  3.0653  7.9593    12.182    18.148    25.164    4.8409    13.922    12.260  4.9538  8.6644  3.6118  3.595370       6.130672 
1 1 1 -25 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   9  o 32.618  1.7174  148.060   14.472    124.879   22.046    165.614   19.184    30.242  2.7517  34.994  2.0557  -4.752045      3.434792 
1 1 1 -25 3   10 o 35.564  1.6887  171.714   15.798    171.142   24.263    172.135   20.814    35.475  2.5709  35.652  2.1902  -0.1772079     3.377354 
1 1 1 -25 3   11 o 17.627  1.9870  42.780    8.7842    44.534    14.445    41.751    11.065    17.845  3.1367  17.409  2.4400  0.4355412      3.973958 
1 1 1 -25 3   12 o ?       ?       332.068   70664.93  332.068   70664.93  0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -25 3   13 o 32.528  2.3454  152.922   18.973    186.969   25.348    109.541   28.612    37.071  2.5686  27.985  3.9251  9.085836       4.690855 
1 1 1 -25 3   14 o 27.519  1.9104  99.502    13.557    134.776   21.629    76.672    17.400    31.435  2.5919  23.604  2.8072  7.830095       3.820754 
1 1 1 -25 3   15 f 42.344  1.8951  242.309   21.182    257.757   32.640    231.072   27.840    43.467  2.8188  41.220  2.5338  2.246899       3.790210 
1 1 1 -25 3   16 o 16.150  2.4221  39.184    9.9579    27.546    15.981    46.569    12.731    13.963  4.0417  18.338  2.6704  -4.375203      4.844244 
1 1 1 -25 3   17 o 15.198  2.5140  34.384    9.9789    25.525    16.109    39.900    12.712    13.509  4.0960  16.886  2.9159  -3.376777      5.027931 
1 1 1 -25 3   18 o 11.654  2.6248  17.980    9.0356    21.139    14.623    16.028    11.492    12.414  3.9264  10.894  3.4846  1.519942       5.249609 
1 1 1 -25 3   19 o 11.133  2.5892  16.808    9.0561    10.124    15.177    20.504    11.285    10.227  3.9337  12.038  3.3678  -1.811780      5.178418 
1 1 1 -25 3   20 f 41.147  2.1589  242.511   22.564    187.846   34.514    283.315   29.819    36.711  3.5546  45.584  2.4513  -8.873089      4.317846 
1 1 1 -25 3   21 o 25.255  3.6099  90.078    23.724    90.078    23.724    0.0000    0.0000    25.255  3.6099  ?       ?       ?              ?        
1 1 1 -25 3   22 o 9.8684  2.6138  10.725    9.0733    8.3104    15.588    11.963    11.159    9.9431  3.9386  9.7937  3.4374  0.1494026      5.227671 
1 1 1 -25 3   23 o 16.523  2.8083  38.251    12.077    49.253    19.575    31.489    15.346    18.343  4.0886  14.703  3.8508  3.639237       5.616513 
1 1 1 -25 3   24 o 28.214  2.3490  110.886   17.018    118.929   27.434    105.856   21.696    28.913  3.6220  27.515  2.9921  1.397646       4.698074 
1 1 1 -25 3   25 o 59.519  2.1866  487.621   34.419    543.124   53.255    447.804   45.106    62.310  3.2017  56.729  2.9790  5.581387       4.373242 
1 1 1 -25 3   26 o 21.362  2.7586  62.374    14.824    95.728    24.487    43.077    18.625    25.755  3.6520  16.970  4.1355  8.785107       5.517166 
1 1 1 -25 3   27 o 17.454  3.0446  47.689    13.770    39.529    23.852    51.767    16.864    16.058  5.0053  18.851  3.4678  -2.793089      6.089236 
1 1 1 -25 3   28 o 10.905  2.9176  14.181    11.378    9.9770    20.010    16.190    13.832    10.837  4.4038  10.972  3.8284  -0.1340847     5.835292 
1 1 1 -25 3   29 o 25.218  4.5920  97.370    29.875    97.370    29.875    0.0000    0.0000    25.218  4.5920  ?       ?       ?              ?        
1 1 1 -25 3   30 o 18.858  3.2036  53.898    15.280    59.415    26.625    51.189    18.659    19.269  5.0847  18.446  3.8985  0.8228970      6.407255 
1 1 1 -25 3   31 o 22.870  3.0913  74.797    17.473    100.675   30.641    62.327    21.270    25.469  4.6634  20.270  4.0591  5.199156       6.182557 
1 1 1 -25 3   32 o 36.648  2.6568  199.920   24.336    193.618   40.741    203.417   30.344    35.597  4.3644  37.699  3.0307  -2.102154      5.313504 
1 1 1 -25 3   33 o 19.805  3.3586  61.220    16.690    71.035    29.639    56.662    20.196    20.500  5.3434  19.109  4.0705  1.391369       6.717211 
1 1 1 -25 3   34 o 20.262  3.3577  64.927    17.019    77.748    30.064    58.880    20.646    21.226  5.3032  19.298  4.1196  1.927990       6.715321 
1 1 1 -25 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   9  o 23.592  1.6808  76.347    10.262    73.736    16.015    78.166    13.367    23.197  2.6236  23.987  2.1018  -0.7893658     3.361694 
1 1 1 -25 4   10 o 17.553  1.8772  42.032    8.3388    45.284    13.567    40.057    10.572    18.049  2.9048  17.058  2.3786  0.9912338      3.754421 
1 1 1 -25 4   11 o 23.908  1.8979  77.229    11.721    84.304    18.762    72.700    15.011    24.761  2.8830  23.056  2.4691  1.704758       3.795805 
1 1 1 -25 4   12 o ?       ?       355.070   179926.00 355.070   179926.00 0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   13 o ?       ?       354.249   40626.98  385.645   49760.49  291.479   70360.07  ?       ?       ?       ?       ?              ?        
1 1 1 -25 4   14 o 33.485  1.9333  155.261   16.784    141.906   25.975    164.833   21.991    32.143  3.0538  34.827  2.3716  -2.684086      3.866559 
1 1 1 -25 4   15 o 53.532  1.9619  389.512   27.869    393.722   42.079    386.222   37.197    53.706  2.9363  53.359  2.6026  0.3465271      3.923742 
1 1 1 -25 4   16 o 67.727  2.0914  623.695   37.767    639.298   56.432    611.037   50.828    68.444  3.0783  67.010  2.8319  1.433891       4.182710 
1 1 1 -25 4   17 o 48.000  1.9380  307.350   24.489    389.884   37.569    246.379   32.291    53.566  2.6185  42.433  2.8577  11.13304       3.875984 
1 1 1 -25 4   18 o 9.9788  2.2710  11.212    8.5902    -9.7759   14.126    23.529    10.821    7.0983  3.2591  12.859  3.1634  -5.761006      4.541903 
1 1 1 -25 4   19 o 12.834  2.5699  20.375    9.3663    35.965    15.654    11.682    11.690    15.812  3.7525  9.8549  3.5123  5.957336       5.139736 
1 1 1 -25 4   20 o 36.041  2.6419  178.103   25.326    0.0000    0.0000    178.103   25.326    ?       ?       36.041  2.6419  ?              ?        
1 1 1 -25 4   21 o 29.413  2.3505  125.636   17.222    101.189   27.072    142.253   22.320    26.655  3.9079  32.172  2.6128  -5.516548      4.700905 
1 1 1 -25 4   22 o 74.779  2.2668  770.029   45.124    805.505   68.272    742.509   60.130    76.194  3.3453  73.363  3.0600  2.831673       4.533696 
1 1 1 -25 4   23 o 60.727  2.1861  509.124   35.098    525.863   54.065    496.931   46.143    61.410  3.2990  60.044  2.8692  1.365799       4.372149 
1 1 1 -25 4   24 o 39.491  2.1332  210.036   22.001    265.289   35.120    174.347   28.225    43.638  3.0233  35.344  3.0102  8.294456       4.266357 
1 1 1 -25 4   25 o 11.700  2.9369  18.000    11.224    14.394    19.825    19.701    13.616    11.578  4.4841  11.821  3.7941  -0.2426920     5.873842 
1 1 1 -25 4   26 o 21.744  2.7264  64.366    14.790    92.560    25.253    49.643    18.248    25.169  3.8698  18.319  3.8416  6.849270       5.452848 
1 1 1 -25 4   27 o 12.620  3.0014  23.160    12.236    12.841    21.151    28.350    15.000    11.446  4.5708  13.794  3.8911  -2.348359      6.002740 
1 1 1 -25 4   28 o 18.534  3.6950  50.921    17.699    0.0000    0.0000    50.921    17.699    ?       ?       18.534  3.6950  ?              ?        
1 1 1 -25 4   29 o 25.989  2.7090  93.484    17.640    126.017   30.274    76.761    21.705    29.149  3.9817  22.829  3.6743  6.320272       5.417960 
1 1 1 -25 4   30 o 17.231  3.3750  45.802    15.423    49.922    27.081    43.825    18.763    17.560  5.3078  16.902  4.1702  0.6581554      6.750054 
1 1 1 -25 4   31 o 30.601  2.6633  131.261   20.639    168.547   35.238    111.791   25.464    33.588  3.9953  27.615  3.5228  5.972818       5.326586 
1 1 1 -25 4   32 o 16.230  3.4710  40.819    15.422    48.432    28.105    37.538    18.447    17.004  5.4503  15.455  4.2994  1.548950       6.941918 
1 1 1 -25 4   33 o 23.657  3.2826  88.611    18.751    93.602    33.604    86.355    22.597    23.381  5.4642  23.934  3.6395  -0.5536575     6.565278 
1 1 1 -25 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   9  o 17.136  1.9777  42.396    8.3333    34.920    13.468    47.035    10.608    15.726  3.3025  18.546  2.1769  -2.819813      3.955422 
1 1 1 -25 5   10 o 49.880  1.7790  332.664   23.542    373.181   36.174    302.897   31.006    52.501  2.5724  47.259  2.4579  5.241032       3.557924 
1 1 1 -25 5   11 o 78.528  2.1243  837.513   44.493    849.831   66.238    827.387   60.059    79.003  3.1302  78.054  2.8727  0.9490891      4.248656 
1 1 1 -25 5   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   13 o 40.183  1.8642  219.257   19.763    224.350   30.243    215.461   26.108    40.549  2.8018  39.818  2.4600  0.7301521      3.728492 
1 1 1 -25 5   14 o 63.437  2.0065  543.130   33.962    596.345   50.797    500.115   45.670    66.218  2.8640  60.657  2.8110  5.560524       4.013062 
1 1 1 -25 5   15 o 75.105  2.1812  771.393   43.663    751.101   64.535    788.523   59.294    74.116  3.2509  76.095  2.9091  -1.979805      4.362479 
1 1 1 -25 5   16 o 26.692  2.0353  94.874    13.919    130.334   21.810    70.505    18.080    30.857  2.6650  22.526  3.0771  8.330801       4.070675 
1 1 1 -25 5   17 o 32.865  1.9999  146.356   17.232    160.523   26.907    136.505   22.437    34.165  2.9699  31.566  2.6791  2.598797       3.999751 
1 1 1 -25 5   18 o 55.432  2.0462  418.688   30.048    438.082   45.773    404.001   39.833    56.496  3.0360  54.369  2.7441  2.126644       4.092375 
1 1 1 -25 5   19 o 52.039  2.0443  367.614   28.152    402.464   43.269    342.031   37.072    54.114  2.9969  49.963  2.7812  4.150414       4.088596 
1 1 1 -25 5   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   21 o 73.544  2.2639  745.352   44.286    765.146   67.011    730.003   59.010    74.287  3.3678  72.800  3.0262  1.486801       4.527709 
1 1 1 -25 5   22 o 55.922  2.1800  434.048   32.101    427.207   49.439    439.035   42.210    55.336  3.3514  56.509  2.7887  -1.172867      4.359930 
1 1 1 -25 5   23 o 11.915  2.9243  19.046    11.288    13.342    19.514    21.914    13.838    11.430  4.4426  12.400  3.8038  -0.9700527     5.848550 
1 1 1 -25 5   24 o 42.019  2.1681  242.990   23.796    267.283   38.054    227.393   30.493    43.595  3.2830  40.443  2.8328  3.151714       4.336234 
1 1 1 -25 5   25 o 15.268  2.9776  31.271    12.452    50.624    21.153    21.008    15.403    18.316  4.3723  12.220  4.0432  6.095502       5.955216 
1 1 1 -25 5   26 o 9.5998  2.7560  3.4443    10.329    17.117    19.356    -1.9989   12.213    11.862  4.4710  7.3375  3.2236  4.524552       5.511943 
1 1 1 -25 5   27 o 39.201  2.3513  219.224   23.627    220.765   38.580    218.299   29.887    38.989  3.7402  39.412  2.8504  -0.4230194     4.702527 
1 1 1 -25 5   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 5   29 o 27.512  2.6389  106.248   18.268    131.503   31.244    93.130    22.518    29.711  4.0301  25.312  3.4079  4.398674       5.277833 
1 1 1 -25 5   30 o 19.133  3.2146  53.483    15.303    69.633    27.690    46.382    18.362    20.832  5.0214  17.435  4.0149  3.397188       6.429104 
1 1 1 -25 5   31 o 20.384  3.3005  61.103    16.675    82.458    30.061    51.613    20.040    22.524  5.1012  18.244  4.1893  4.279800       6.600971 
1 1 1 -25 5   32 o 16.907  3.4925  42.209    15.544    62.473    29.399    34.346    18.313    19.086  5.4693  14.728  4.3448  4.358470       6.985064 
1 1 1 -25 5   33 o 12.483  3.0847  23.478    14.850    -9.6912   27.699    36.858    17.592    9.8107  4.5261  15.156  4.1924  -5.344828      6.169414 
1 1 1 -25 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 6   8  o 50.018  2.5285  342.982   33.534    351.844   49.789    335.625   45.366    50.566  3.7018  49.469  3.4453  1.096344       5.057035 
1 1 1 -25 6   9  o 46.268  1.7980  287.809   21.975    310.166   34.015    271.795   28.788    47.768  2.6692  44.769  2.4096  2.998966       3.595990 
1 1 1 -25 6   10 f 20.038  1.8969  53.945    9.7373    62.663    15.732    48.532    12.397    21.306  2.8265  18.770  2.5304  2.536819       3.793721 
1 1 1 -25 6   11 o 60.820  1.9489  499.319   31.605    529.950   47.483    474.954   42.349    62.461  2.8382  59.179  2.6717  3.282246       3.897828 
1 1 1 -25 6   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 6   13 o 67.451  2.0514  617.317   36.941    639.627   54.869    598.821   49.960    68.530  2.9892  66.372  2.8103  2.157608       4.102813 
1 1 1 -25 6   14 o 28.005  2.0060  110.256   14.370    94.578    22.106    121.729   18.911    26.120  3.2284  29.889  2.3819  -3.768677      4.012010 
1 1 1 -25 6   15 o 23.657  2.0619  76.658    12.607    81.490    19.774    73.349    16.364    24.235  3.1185  23.078  2.6982  1.157171       4.123781 
1 1 1 -25 6   16 o 45.523  1.9602  281.312   23.584    297.613   36.168    269.254   31.107    46.619  2.9111  44.426  2.6258  2.193104       3.920350 
1 1 1 -25 6   17 o 80.160  2.2570  876.036   48.284    943.734   72.135    821.085   64.990    82.915  3.2481  77.404  3.1347  5.510544       4.514006 
1 1 1 -25 6   18 o 56.080  2.1137  434.578   31.187    411.328   47.635    452.020   41.258    54.588  3.2731  57.572  2.6755  -2.984661      4.227460 
1 1 1 -25 6   19 o 85.128  2.3838  1002.19   54.031    990.929   80.614    1011.38   72.804    84.543  3.5600  85.712  3.1712  -1.169525      4.767576 
1 1 1 -25 6   20 o 64.160  3.3383  571.331   57.171    571.331   57.171    0.0000    0.0000    64.160  3.3383  ?       ?       ?              ?        
1 1 1 -25 6   21 o 69.385  2.2630  667.642   41.625    660.152   63.309    673.344   55.244    68.870  3.4320  69.900  2.9507  -1.030006      4.526050 
1 1 1 -25 6   22 o 39.644  2.1581  215.968   22.341    233.934   35.572    204.266   28.709    40.881  3.2761  38.408  2.8102  2.473381       4.316265 
1 1 1 -25 6   23 o 23.233  2.5188  74.090    14.705    91.395    24.821    64.732    18.253    25.166  3.8007  21.301  3.3064  3.864737       5.037588 
1 1 1 -25 6   24 o 16.105  2.9795  37.040    12.640    47.038    21.118    31.457    15.779    17.640  4.4654  14.570  3.9459  3.069721       5.959048 
1 1 1 -25 6   25 o 45.827  2.3220  302.003   27.357    277.062   43.433    318.404   35.222    43.864  3.7323  47.789  2.7634  -3.925613      4.643975 
1 1 1 -25 6   26 o 38.566  2.3233  209.089   23.152    225.244   37.720    199.324   29.325    39.518  3.6033  37.615  2.9338  1.902248       4.646603 
1 1 1 -25 6   27 o 27.486  2.8198  117.126   18.410    95.597    31.127    128.709   22.832    24.789  4.8617  30.183  2.8583  -5.393694      5.639679 
1 1 1 -25 6   28 o 23.716  3.2090  85.075    19.532    108.970   29.573    66.588    26.012    26.869  4.2507  20.564  4.8085  6.304659       6.417956 
1 1 1 -25 6   29 o 17.259  3.2115  49.453    15.239    33.404    26.121    57.733    18.762    14.835  5.2542  19.683  3.6945  -4.848226      6.423087 
1 1 1 -25 6   30 o 12.366  3.2349  20.390    13.328    21.438    24.792    19.964    15.806    12.901  5.0094  11.831  4.0945  1.069476       6.469811 
1 1 1 -25 6   31 o 15.979  3.4410  40.897    15.257    41.127    28.341    40.804    18.104    15.812  5.4822  16.146  4.1604  -0.3340092     6.882085 
1 1 1 -25 6   32 o 18.141  3.4493  56.512    16.627    48.101    30.556    60.049    19.818    16.575  5.6955  19.706  3.8927  -3.131300      6.898670 
1 1 1 -25 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   8  o 78.981  2.1993  857.973   45.968    776.742   68.400    924.873   62.075    75.418  3.3861  82.545  2.8076  -7.127258      4.398645 
1 1 1 -25 7   9  o 32.831  1.8626  148.493   15.877    139.223   24.721    155.001   20.713    31.874  2.9284  33.787  2.3025  -1.912260      3.725157 
1 1 1 -25 7   10 o 60.572  2.0008  500.928   32.122    483.402   48.179    514.953   43.098    59.513  3.0325  61.631  2.6108  -2.117249      4.001548 
1 1 1 -25 7   11 o 73.450  2.8506  733.422   56.081    0.0000    0.0000    733.422   56.081    ?       ?       73.450  2.8506  ?              ?        
1 1 1 -25 7   12 o 46.306  1.8780  289.604   23.065    314.099   34.941    270.686   30.706    48.012  2.7283  44.601  2.5814  3.411057       3.755937 
1 1 1 -25 7   13 o 12.421  2.3866  22.469    8.1706    16.836    13.324    25.863    10.344    11.315  3.7613  13.527  2.9389  -2.212440      4.773279 
1 1 1 -25 7   14 o 38.693  1.9121  203.917   19.463    208.491   30.011    200.597   25.570    39.013  2.8926  38.372  2.5015  0.6409874      3.824240 
1 1 1 -25 7   15 o 45.043  1.9610  277.305   23.258    277.569   35.749    277.111   30.625    44.990  2.9835  45.096  2.5459  -0.1057167     3.922055 
1 1 1 -25 7   16 o 68.981  2.1307  646.690   39.174    692.643   59.050    610.572   52.352    71.113  3.1002  66.849  2.9238  4.263725       4.261441 
1 1 1 -25 7   17 o 60.265  2.0872  495.657   33.358    514.038   50.845    481.767   44.199    61.132  3.1156  59.399  2.7781  1.733036       4.174302 
1 1 1 -25 7   18 o 30.941  2.1758  134.266   17.238    125.675   27.373    139.912   22.190    29.960  3.4756  31.922  2.6184  -1.961603      4.351529 
1 1 1 -25 7   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   20 o 24.788  2.3642  83.658    14.921    100.375   24.631    73.966    18.754    26.631  3.5408  22.944  3.1337  3.687477       4.728331 
1 1 1 -25 7   21 o 59.750  2.2474  500.424   35.198    471.512   54.263    521.425   46.247    57.970  3.5113  61.531  2.8061  -3.560703      4.494783 
1 1 1 -25 7   22 o 42.974  2.2004  257.342   24.629    261.301   39.045    254.726   31.741    43.070  3.4125  42.878  2.7787  0.1925430      4.400700 
1 1 1 -25 7   23 o 32.624  2.3409  150.666   19.465    150.546   31.791    150.738   24.620    32.377  3.7344  32.870  2.8237  -0.4933357     4.681827 
1 1 1 -25 7   24 o 23.665  2.5998  79.892    15.470    87.676    25.560    75.392    19.434    24.379  4.0569  22.952  3.2522  1.426867       5.199547 
1 1 1 -25 7   25 f 22.639  2.8165  76.034    15.544    75.757    26.813    76.174    19.077    22.218  4.6547  23.060  3.1727  -0.8413658     5.633097 
1 1 1 -25 7   26 o 26.292  2.7181  102.855   17.495    98.190    29.558    105.370   21.705    25.380  4.5134  27.204  3.0303  -1.823683      5.436278 
1 1 1 -25 7   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 7   28 o 11.247  3.0526  15.089    12.170    13.066    22.733    15.901    14.408    11.585  4.6989  10.908  3.8981  0.6772518      6.105291 
1 1 1 -25 7   29 o 6.9906  2.2634  -11.9918  10.536    -48.7078  20.180    1.7688    12.354    6.1036  3.0449  7.8777  3.3496  -1.774107      4.526717 
1 1 1 -25 7   30 o 13.552  3.1719  29.240    14.439    8.0577    26.313    38.366    17.272    11.385  4.8659  15.719  4.0702  -4.333467      6.343745 
1 1 1 -25 7   31 o 12.896  3.3584  22.624    14.163    31.336    26.329    19.077    16.802    14.183  5.2401  11.609  4.2019  2.574242       6.716723 
1 1 1 -25 7   32 o 11.805  3.2879  16.755    13.769    25.311    26.997    13.746    16.008    13.164  5.1932  10.445  4.0338  2.718854       6.575817 
1 1 1 -25 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 8   7  o 28.506  2.5702  118.698   17.919    92.016    28.558    136.025   23.014    25.469  4.3419  31.544  2.7514  -6.074610      5.140306 
1 1 1 -25 8   8  o 53.367  1.9817  393.811   27.722    343.207   41.573    434.329   37.200    50.093  3.1139  56.640  2.4521  -6.547245      3.963442 
1 1 1 -25 8   9  o 37.671  1.9094  195.656   18.796    180.670   28.719    206.885   24.859    36.316  2.9786  39.027  2.3896  -2.710896      3.818719 
1 1 1 -25 8   10 o 74.872  2.1734  765.123   43.355    755.490   64.479    773.072   58.573    74.370  3.2369  75.375  2.9012  -1.005531      4.346811 
1 1 1 -25 8   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 8   12 o 12.225  2.3818  20.909    7.8317    21.514    13.063    20.569    9.7855    12.402  3.6724  12.049  3.0339  0.3525887      4.763563 
1 1 1 -25 8   13 o 22.455  2.0572  69.012    11.848    73.880    18.929    65.876    15.192    23.046  3.1489  21.863  2.6482  1.182308       4.114386 
1 1 1 -25 8   14 o 25.831  2.1811  96.827    13.880    75.571    21.967    110.954   17.909    23.151  3.6645  28.510  2.3666  -5.359251      4.362258 
1 1 1 -25 8   15 f 57.703  2.0497  452.834   31.383    476.018   47.833    435.312   41.585    58.899  3.0424  56.507  2.7475  2.392620       4.099400 
1 1 1 -25 8   16 o 30.655  2.0307  124.870   16.162    161.329   25.779    101.260   20.745    34.249  2.8357  27.062  2.9076  7.186567       4.061429 
1 1 1 -25 8   17 o 38.268  2.0241  199.665   20.314    212.865   31.841    190.606   26.379    39.259  3.0520  37.276  2.6595  1.982948       4.048158 
1 1 1 -25 8   18 o 24.571  2.3316  85.759    14.389    80.777    23.241    88.856    18.322    23.805  3.7706  25.337  2.7437  -1.531960      4.663165 
1 1 1 -25 8   19 o 30.926  3.4460  134.471   28.059    134.471   28.059    0.0000    0.0000    30.926  3.4460  ?       ?       ?              ?        
1 1 1 -25 8   20 o 38.382  2.2245  208.879   21.884    190.166   34.753    221.175   28.171    36.701  3.5809  40.063  2.6401  -3.361164      4.448927 
1 1 1 -25 8   21 o 15.212  2.8974  30.388    11.884    49.728    20.471    20.557    14.595    18.299  4.2568  12.125  3.9320  6.173984       5.794896 
1 1 1 -25 8   22 o 45.971  2.2555  300.048   26.777    280.874   42.437    312.731   34.515    44.447  3.5954  47.495  2.7245  -3.047535      4.511092 
1 1 1 -25 8   23 f 20.124  2.7234  53.830    13.619    84.773    23.822    38.806    16.599    24.098  3.8179  16.150  3.8848  7.948360       5.446828 
1 1 1 -25 8   24 o 31.695  2.5895  151.292   19.938    125.408   33.022    166.140   25.010    28.935  4.3994  34.456  2.7324  -5.520464      5.178923 
1 1 1 -25 8   25 o 14.095  3.0889  29.630    12.376    29.604    21.852    29.642    15.016    14.138  4.8172  14.051  3.8677  0.8681965E-01  6.177769 
1 1 1 -25 8   26 o 24.275  2.7821  86.821    16.626    90.901    28.376    84.689    20.516    24.331  4.5205  24.218  3.2443  0.1131382      5.564207 
1 1 1 -25 8   27 o 35.416  2.8320  186.088   26.343    200.982   38.150    172.514   36.419    36.846  3.9262  33.987  4.0823  2.858433       5.663906 
1 1 1 -25 8   28 o 23.817  3.0156  86.070    17.366    88.096    30.574    85.105    21.100    23.477  5.0146  24.157  3.3512  -0.6804962     6.031259 
1 1 1 -25 8   29 o 11.401  3.1467  15.763    13.396    7.2367    25.537    19.000    15.735    11.202  4.7907  11.600  4.0813  -0.3979340     6.293459 
1 1 1 -25 8   30 o 16.898  3.2993  36.081    15.110    79.551    28.760    19.507    17.758    22.000  4.9947  11.796  4.3122  10.20358       6.598632 
1 1 1 -25 8   31 o 9.9064  3.0398  4.5617    13.119    6.8662    26.701    3.8284    15.063    11.088  4.8209  8.7254  3.7039  2.362153       6.079507 
1 1 1 -25 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   7  o 34.642  1.7572  161.593   16.096    187.240   24.173    141.164   21.575    37.105  2.4460  32.179  2.5234  4.926327       3.514343 
1 1 1 -25 9   8  o 42.006  1.9792  246.895   21.523    204.493   32.472    280.121   28.745    38.583  3.1702  45.430  2.3705  -6.847202      3.958460 
1 1 1 -25 9   9  o 39.770  2.0243  222.787   20.659    183.624   31.763    251.500   27.197    36.506  3.2836  43.035  2.3685  -6.529743      4.048686 
1 1 1 -25 9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   11 o 22.668  2.0108  68.636    11.721    84.591    18.883    58.637    14.948    24.755  2.9031  20.581  2.7831  4.173819       4.021632 
1 1 1 -25 9   12 o 40.306  1.9985  225.102   20.952    207.730   32.479    237.484   27.420    38.847  3.1486  41.765  2.4620  -2.918320      3.996903 
1 1 1 -25 9   13 o 16.276  2.2709  35.133    9.3624    51.045    15.440    25.881    11.774    19.078  3.1303  13.474  3.2908  5.604047       4.541795 
1 1 1 -25 9   14 o 41.065  1.9924  231.540   21.415    229.269   33.346    233.134   27.937    40.803  3.0737  41.328  2.5361  -0.5244637     3.984875 
1 1 1 -25 9   15 o 17.867  2.5380  48.068    11.239    36.813    18.662    54.472    14.078    15.929  4.2818  19.804  2.7262  -3.874694      5.076028 
1 1 1 -25 9   16 o 5.9360  1.9103  -4.7005   6.3751    -11.5160  11.697    -1.8206   7.6037    6.0807  2.8505  5.7913  2.5440  0.2893467      3.820620 
1 1 1 -25 9   17 o 26.997  2.2139  101.352   15.265    103.130   24.673    100.249   19.431    27.063  3.4847  26.930  2.7316  0.1324558      4.427748 
1 1 1 -25 9   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   19 o 6.8694  2.2042  -5.7977   8.1073    -4.2408   14.560    -6.4974   9.7603    7.8117  3.4717  5.9272  2.7168  1.884480       4.408371 
1 1 1 -25 9   20 o 10.165  2.7413  9.9893    9.8407    15.488    17.288    7.3538    11.969    11.424  4.2412  8.9054  3.4743  2.518928       5.482547 
1 1 1 -25 9   21 o 23.597  2.7098  84.836    15.450    67.414    25.432    95.026    19.450    21.141  4.6203  26.053  2.8328  -4.911715      5.419592 
1 1 1 -25 9   22 o 38.183  2.1930  198.356   21.757    240.313   35.548    173.225   27.512    41.231  3.2451  35.135  2.9507  6.095520       4.385985 
1 1 1 -25 9   23 o 36.446  2.3360  189.792   21.698    187.076   35.551    191.404   27.391    35.924  3.7500  36.968  2.7867  -1.044426      4.672075 
1 1 1 -25 9   24 o 43.596  2.3219  272.882   25.948    264.439   42.117    278.047   32.943    42.666  3.7227  44.527  2.7760  -1.860779      4.643791 
1 1 1 -25 9   25 o 23.073  2.8809  80.651    16.165    77.637    27.783    82.194    19.875    22.263  4.8005  23.883  3.1863  -1.620689      5.761713 
1 1 1 -25 9   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 9   27 o 8.4736  2.6580  -1.1037   10.919    -5.2852   21.183    0.4092    12.742    9.1672  4.1223  7.7801  3.3564  1.387092       5.315967 
1 1 1 -25 9   28 o 16.873  3.3208  39.544    14.763    65.994    27.229    28.533    17.569    20.111  5.0594  13.636  4.3028  6.474886       6.641692 
1 1 1 -25 9   29 o 10.717  3.1308  9.0188    13.348    16.658    25.115    6.0113    15.758    12.159  4.9364  9.2741  3.8523  2.885009       6.261644 
1 1 1 -25 9   30 o 19.763  3.2442  55.390    15.920    91.984    29.626    40.533    18.877    23.666  4.8370  15.860  4.3247  7.806840       6.488398 
1 1 1 -25 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 10  6  o 57.338  1.8777  446.809   28.732    441.676   42.353    451.184   39.107    56.997  2.7742  57.680  2.5313  -0.6824074     3.755498 
1 1 1 -25 10  7  o 23.717  1.9114  77.220    11.770    78.329    18.179    76.420    15.445    23.815  2.9104  23.618  2.4785  0.1971245      3.822711 
1 1 1 -25 10  8  o 19.050  2.2574  53.801    10.510    39.873    16.743    62.857    13.501    16.689  3.8271  21.411  2.3953  -4.721584      4.514878 
1 1 1 -25 10  9  o 50.824  3.9181  358.982   52.926    0.0000    0.0000    358.982   52.926    ?       ?       50.824  3.9181  ?              ?        
1 1 1 -25 10  10 o 15.403  2.3863  37.077    9.4758    20.973    15.638    46.421    11.912    12.471  4.0714  18.334  2.4901  -5.862797      4.772532 
1 1 1 -25 10  11 o 51.507  2.0254  359.830   27.537    383.604   42.664    342.854   36.051    52.895  3.0238  50.119  2.6954  2.776588       4.050796 
1 1 1 -25 10  12 o 18.729  2.3215  48.812    10.876    51.995    17.993    46.979    13.652    19.113  3.6477  18.345  2.8727  0.7683983      4.643029 
1 1 1 -25 10  13 o 38.140  2.0934  205.335   20.423    176.985   32.089    224.638   26.477    35.696  3.3971  40.583  2.4472  -4.887180      4.186815 
1 1 1 -25 10  14 o 48.913  2.0749  329.267   26.587    326.087   41.476    331.486   34.639    48.591  3.2048  49.234  2.6363  -0.6426163     4.149784 
1 1 1 -25 10  15 o 42.281  2.0306  241.362   22.529    273.388   35.716    220.200   29.034    44.518  3.0130  40.043  2.7231  4.474724       4.061275 
1 1 1 -25 10  16 o 19.114  2.5711  52.198    12.189    52.859    20.506    51.836    15.158    19.042  4.1387  19.186  3.0518  -0.1439724     5.142185 
1 1 1 -25 10  17 o 24.655  4.8115  90.050    30.634    0.0000    0.0000    90.050    30.634    ?       ?       24.655  4.8115  ?              ?        
1 1 1 -25 10  18 o 57.059  2.1520  445.961   32.401    489.795   50.534    415.361   42.222    59.316  3.1924  54.802  2.8866  4.513634       4.303945 
1 1 1 -25 10  19 o 28.397  2.3050  110.373   16.794    129.399   27.645    99.245    21.143    30.199  3.4815  26.595  3.0217  3.604181       4.609913 
1 1 1 -25 10  20 o 21.422  2.6787  68.021    14.152    62.279    23.434    71.318    17.755    20.387  4.4189  22.457  3.0291  -2.069469      5.357439 
1 1 1 -25 10  21 o 43.006  2.2668  261.840   25.159    257.294   40.420    264.715   32.145    42.422  3.5910  43.591  2.7675  -1.169468      4.533663 
1 1 1 -25 10  22 o 14.991  3.0403  33.903    12.387    32.788    21.791    34.435    15.057    14.774  4.8053  15.207  3.7259  -0.4333220     6.080523 
1 1 1 -25 10  23 o 13.979  2.6951  32.260    12.266    0.3871    21.786    47.053    14.842    9.9552  4.3412  18.003  3.1950  -8.048197      5.390168 
1 1 1 -25 10  24 o 8.5400  2.5886  1.7434    10.450    -7.1364   18.415    5.9607    12.691    8.3829  3.7996  8.6972  3.5166  -0.3143215     5.177273 
1 1 1 -25 10  25 o 42.961  4.8807  286.565   55.165    0.0000    0.0000    286.565   55.165    ?       ?       42.961  4.8807  ?              ?        
1 1 1 -25 10  26 f 6.4839  2.2129  -18.8678  9.8964    -13.3866  18.487    -21.0693  11.716    7.7891  3.6291  5.1787  2.5332  2.610405       4.425708 
1 1 1 -25 10  27 o 11.832  3.0349  7.7622    12.161    41.924    24.150    -3.8429   14.076    16.102  5.0394  7.5622  3.3834  8.539808       6.069832 
1 1 1 -25 10  28 o 20.188  3.3153  60.495    16.760    84.173    29.775    49.514    20.277    22.672  5.0344  17.705  4.3152  4.966799       6.630634 
1 1 1 -25 10  29 o 10.744  3.0655  5.2269    12.672    29.552    24.520    -3.6368   14.801    13.777  5.0624  7.7117  3.4585  6.064975       6.131006 
1 1 1 -25 10  30 o 12.107  3.0591  22.576    14.007    -5.3570   27.265    32.592    16.327    9.9845  4.5633  14.229  4.0754  -4.244774      6.118205 
1 1 1 -25 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 11  4  o 104.621 4.2962  1646.43   111.992   1065.66   162.304   2174.25   154.728   84.551  7.2365  124.692 4.6328  -40.14071      8.592379 
1 1 1 -25 11  5  o 32.739  1.7488  146.379   15.070    144.536   22.879    147.791   20.028    32.512  2.6503  32.965  2.2823  -0.4532738     3.497597 
1 1 1 -25 11  6  o 10.064  2.2880  13.428    6.8484    13.902    11.185    13.144    8.6620    10.325  3.4467  9.8035  3.0098  0.5215645      4.575940 
1 1 1 -25 11  7  o 18.855  2.1302  48.717    10.229    54.902    16.309    44.707    13.133    19.800  3.1829  17.910  2.8318  1.890656       4.260309 
1 1 1 -25 11  8  o 59.792  2.7539  486.790   44.105    0.0000    0.0000    486.790   44.105    ?       ?       59.792  2.7539  ?              ?        
1 1 1 -25 11  9  o 45.006  2.0206  276.091   23.920    285.025   37.138    269.757   31.270    45.555  3.0615  44.456  2.6379  1.098690       4.041178 
1 1 1 -25 11  10 o 43.494  2.0737  261.248   23.485    250.869   36.825    268.364   30.491    42.640  3.2487  44.347  2.5780  -1.707581      4.147334 
1 1 1 -25 11  11 o 45.020  2.0757  279.210   24.360    273.439   38.342    283.116   31.544    44.507  3.2385  45.532  2.5973  -1.024822      4.151388 
1 1 1 -25 11  12 o 24.378  2.1307  78.237    13.233    104.850   21.944    63.028    16.589    27.502  3.0292  21.255  2.9971  6.247276       4.261344 
1 1 1 -25 11  13 o 43.238  2.1220  260.493   23.745    244.369   37.525    271.260   30.664    41.947  3.3683  44.530  2.5820  -2.582699      4.244098 
1 1 1 -25 11  14 o 31.760  2.0877  135.898   17.156    157.044   28.062    123.276   21.680    33.624  3.1527  29.897  2.7377  3.727039       4.175454 
1 1 1 -25 11  15 o 55.073  2.1145  413.238   30.684    452.888   48.097    386.024   39.847    57.186  3.1522  52.960  2.8192  4.225777       4.228966 
1 1 1 -25 11  16 o 34.262  2.1433  159.335   18.959    180.404   31.221    147.026   23.863    35.917  3.2815  32.607  2.7581  3.310459       4.286652 
1 1 1 -25 11  17 o 39.832  2.4702  223.406   26.081    217.500   36.488    229.577   37.294    39.284  3.5045  40.380  3.4822  -1.095577      4.940386 
1 1 1 -25 11  18 o 53.563  2.2189  401.727   30.980    394.973   48.928    406.246   40.025    52.942  3.4695  54.184  2.7671  -1.241161      4.437826 
1 1 1 -25 11  19 o 16.852  2.8782  43.202    12.474    37.853    21.285    46.000    15.395    15.857  4.6859  17.847  3.3435  -1.990000      5.756444 
1 1 1 -25 11  20 o 45.433  2.1904  286.017   25.949    311.927   41.766    269.727   33.115    46.909  3.3460  43.957  2.8277  2.952713       4.380810 
1 1 1 -25 11  21 o 30.413  2.3353  127.355   18.193    153.626   30.371    112.652   22.721    32.656  3.5283  28.171  3.0604  4.485010       4.670621 
1 1 1 -25 11  22 o 16.044  3.0122  40.845    12.853    32.457    23.011    44.649    15.495    14.669  4.9436  17.419  3.4431  -2.750455      6.024474 
1 1 1 -25 11  23 o 13.207  3.0159  26.456    11.966    19.982    21.595    29.325    14.375    12.457  4.7159  13.956  3.7607  -1.499094      6.031732 
1 1 1 -25 11  24 o 19.857  3.0393  59.436    15.049    65.293    25.862    56.437    18.505    20.270  4.8319  19.444  3.6882  0.8260822      6.078619 
1 1 1 -25 11  25 o 29.852  2.9172  133.809   22.634    143.301   33.633    125.952   30.601    30.776  4.1889  28.928  4.0613  1.847990       5.834462 
1 1 1 -25 11  26 o 18.631  3.2262  53.598    15.161    59.079    26.986    51.071    18.326    18.938  5.1735  18.324  3.8559  0.6132069      6.452393 
1 1 1 -25 11  27 o 24.899  2.9915  88.713    18.368    122.161   32.498    73.013    22.265    27.937  4.4955  21.860  3.9479  6.076977       5.982901 
1 1 1 -25 11  28 o 31.091  2.7064  134.182   20.981    192.942   37.424    107.246   25.338    35.496  4.0063  26.685  3.6399  8.810770       5.412881 
1 1 1 -25 11  29 o 8.6800  2.7834  -5.6096   12.246    5.9173    23.819    -9.7516   14.278    10.497  4.5586  6.8633  3.1949  3.633410       5.566728 
1 1 1 -25 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 12  3  o 53.977  1.8803  397.003   26.960    394.475   40.362    399.039   36.226    53.738  2.8140  54.217  2.4946  -0.4787979     3.760520 
1 1 1 -25 12  4  o 48.926  1.8193  326.169   23.587    322.462   35.601    329.069   31.490    48.592  2.7466  49.260  2.3866  -0.6681480     3.638635 
1 1 1 -25 12  5  o 53.864  1.9098  395.095   27.325    398.260   41.065    392.579   36.605    53.973  2.8507  53.755  2.5423  0.2179070      3.819683 
1 1 1 -25 12  6  o 9.3840  2.2748  11.295    6.8515    7.3111    11.767    13.338    8.4274    8.9356  3.4563  9.8324  2.9585  -0.8967867     4.549593 
1 1 1 -25 12  7  o 15.739  4.1966  35.741    18.015    0.0000    0.0000    35.741    18.015    ?       ?       15.739  4.1966  ?              ?        
1 1 1 -25 12  8  o 80.364  2.3665  891.711   50.504    857.201   75.641    919.471   67.840    78.802  3.5837  81.927  3.0915  -3.125221      4.732909 
1 1 1 -25 12  9  o 27.792  2.1362  106.951   15.188    106.791   24.488    107.052   19.363    27.664  3.3748  27.920  2.6198  -0.2561626     4.272323 
1 1 1 -25 12  10 o 31.239  2.2582  140.456   17.554    116.771   28.329    155.221   22.366    28.791  3.7637  33.687  2.4966  -4.896023      4.516430 
1 1 1 -25 12  11 o 16.698  2.4822  38.362    10.336    45.587    17.741    34.649    12.718    17.783  3.8373  15.614  3.1497  2.169555       4.964419 
1 1 1 -25 12  12 o 36.804  2.0745  183.669   19.916    204.053   31.900    170.648   25.495    38.383  3.1301  35.226  2.7232  3.156948       4.148941 
1 1 1 -25 12  13 o 34.865  2.1578  166.463   19.381    177.487   31.747    159.913   24.471    35.653  3.3642  34.078  2.7032  1.574951       4.315652 
1 1 1 -25 12  14 o 40.134  2.1305  220.136   22.197    237.515   35.986    209.462   28.201    41.276  3.2821  38.992  2.7172  2.283684       4.260917 
1 1 1 -25 12  15 o 25.418  2.5244  95.270    15.499    81.119    26.026    103.046   19.292    23.561  4.2818  27.276  2.6751  -3.715740      5.048778 
1 1 1 -25 12  16 o 15.689  4.4918  36.511    19.837    36.511    19.837    0.0000    0.0000    15.689  4.4918  ?       ?       ?              ?        
1 1 1 -25 12  17 o 13.914  2.9273  27.906    11.222    28.767    19.812    27.500    13.617    14.117  4.5815  13.712  3.6449  0.4041767      5.854532 
1 1 1 -25 12  18 o 30.847  2.4735  140.954   18.699    117.917   30.723    154.510   23.567    28.352  4.1703  33.342  2.6611  -4.989914      4.947011 
1 1 1 -25 12  19 o 17.421  2.8921  43.079    12.651    54.061    22.237    37.823    15.383    18.848  4.4720  15.995  3.6687  2.853548       5.784291 
1 1 1 -25 12  20 o 19.026  2.9372  56.441    13.904    48.264    24.073    60.535    17.032    17.558  4.9211  20.494  3.2081  -2.936001      5.874479 
1 1 1 -25 12  21 o 18.764  2.9923  55.087    14.143    48.477    24.222    58.506    17.422    17.501  4.9474  20.027  3.3672  -2.525801      5.984533 
1 1 1 -25 12  22 o 14.355  2.9946  33.609    12.823    16.258    23.446    41.014    15.317    12.118  4.8209  16.591  3.5539  -4.472753      5.989264 
1 1 1 -25 12  23 o 24.832  2.7112  85.299    16.636    115.674   29.534    71.184    20.133    27.703  4.1044  21.961  3.5435  5.742750       5.422369 
1 1 1 -25 12  24 o 10.969  4.4811  10.997    20.857    10.997    20.857    0.0000    0.0000    10.969  4.4811  ?       ?       ?              ?        
1 1 1 -25 12  25 o 14.241  3.3097  26.164    13.506    47.838    25.981    18.138    15.811    17.044  5.2094  11.438  4.0839  5.605732       6.619348 
1 1 1 -25 12  26 o 23.654  3.0463  77.691    17.731    125.489   31.655    55.837    21.404    28.498  4.2792  18.811  4.3369  9.686998       6.092676 
1 1 1 -25 12  27 f 31.250  2.8378  147.325   21.720    157.026   38.038    142.632   26.457    31.317  4.6781  31.183  3.2136  0.1334038      5.675569 
1 1 1 -25 12  28 o 11.490  3.0189  2.7627    12.815    45.563    24.909    -12.6431  14.944    16.197  5.1248  6.7817  3.1926  9.415749       6.037892 
1 1 1 -25 13  1  o 16.648  2.6024  43.518    10.152    29.940    20.229    48.089    11.737    14.620  4.6175  18.676  2.4020  -4.055361      5.204842 
1 1 1 -25 13  2  o 51.623  1.9120  362.664   26.147    370.422   39.864    356.805   34.639    52.014  2.8725  51.233  2.5242  0.7808037      3.824006 
1 1 1 -25 13  3  o 10.343  2.4769  14.542    7.5795    3.0659    17.785    17.089    8.3784    9.6996  4.0659  10.987  2.8298  -1.287313      4.953720 
1 1 1 -25 13  4  o 36.119  1.6777  177.798   16.137    177.538   22.588    178.068   23.063    36.098  2.3489  36.140  2.3961  -0.4167557E-01 3.355420 
1 1 1 -25 13  5  o 56.555  1.8425  435.118   27.888    411.010   38.926    460.544   39.975    54.933  2.6456  58.178  2.5653  -3.245148      3.685088 
1 1 1 -25 13  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 13  7  o 39.029  1.8095  208.162   18.802    205.683   26.119    210.827   27.088    38.797  2.5272  39.261  2.5904  -0.4644661     3.618995 
1 1 1 -25 13  8  o 23.130  1.9384  74.175    11.743    77.976    16.382    70.159    16.841    23.781  2.6150  22.478  2.8621  1.302860       3.876806 
1 1 1 -25 13  9  o 23.297  1.9321  75.275    11.794    78.938    16.434    71.386    16.937    23.923  2.6070  22.670  2.8524  1.252573       3.864251 
1 1 1 -25 13  10 o 12.635  2.3162  22.845    7.9152    24.518    11.215    21.184    11.173    13.085  3.2215  12.186  3.3288  0.8990097      4.632384 
1 1 1 -25 13  11 o 25.734  1.9356  91.544    13.098    83.168    18.211    100.518   18.851    24.475  2.8302  26.992  2.6413  -2.517872      3.871238 
1 1 1 -25 13  12 o 9.1763  2.2559  9.7381    7.2034    15.909    10.012    3.1159    10.372    10.667  3.2281  7.6859  3.1522  2.980795       4.511852 
1 1 1 -25 13  13 o 32.582  1.9166  146.848   16.544    155.847   23.349    137.775   23.444    33.627  2.6128  31.537  2.8047  2.090086       3.833168 
1 1 1 -25 13  14 o 45.745  1.9622  289.779   23.833    318.395   33.734    261.263   33.676    48.084  2.6293  43.406  2.9134  4.677914       3.924434 
1 1 1 -25 13  15 o 19.167  5.1670  56.307    27.130    56.307    27.130    0.0000    0.0000    19.167  5.1670  ?       ?       ?              ?        
1 1 1 -25 13  16 o 27.225  1.9997  103.645   14.367    101.274   20.234    106.056   20.402    26.898  2.8520  27.551  2.8038  -0.6532917     3.999406 
1 1 1 -25 13  17 o 19.320  2.2867  53.615    11.409    53.377    15.880    53.869    16.403    19.293  3.1841  19.346  3.2829  -0.5238152E-01 4.573353 
1 1 1 -25 13  18 o 29.808  2.0105  125.023   15.827    131.868   22.267    118.034   22.501    30.691  2.7375  28.925  2.9453  1.765192       4.021024 
1 1 1 -25 13  19 o 15.494  2.5505  35.627    10.410    31.324    14.491    40.216    14.964    14.479  3.7174  16.509  3.4932  -2.029734      5.101098 
1 1 1 -25 13  20 o 20.780  2.3906  64.028    12.544    47.125    17.763    80.839    17.715    17.698  3.8562  23.862  2.8267  -6.163288      4.781280 
1 1 1 -25 13  21 o 32.273  2.0304  147.874   17.350    153.172   24.378    142.435   24.698    32.912  2.7917  31.634  2.9489  1.277834       4.060777 
1 1 1 -25 13  22 o 15.340  2.7017  35.779    11.062    34.149    15.442    37.499    15.854    14.974  3.8336  15.706  3.8081  -0.7319565     5.403496 
1 1 1 -25 13  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 13  24 o 16.481  2.7302  42.113    11.948    50.091    16.543    33.413    17.275    18.311  3.5006  14.652  4.1907  3.659745       5.460443 
1 1 1 -25 13  25 o 10.622  2.7879  14.729    10.565    14.260    15.026    15.188    14.858    10.543  3.9461  10.700  3.9394  -0.1571665     5.575892 
1 1 1 -25 13  26 o 23.030  3.1798  81.933    17.746    93.466    31.891    76.761    21.359    23.567  5.1923  22.492  3.6720  1.075224       6.359535 
1 1 1 -25 13  27 o 11.095  3.0927  15.784    13.416    5.7406    24.674    19.999    15.986    10.606  4.6227  11.585  4.1096  -0.9785814     6.185302 
1 1 1 -25 14  1  o 47.590  1.7701  308.857   22.495    321.963   31.687    295.539   31.940    48.664  2.4310  46.516  2.5736  2.148666       3.540203 
1 1 1 -25 14  2  o 34.350  1.7024  161.109   15.563    157.961   21.900    164.322   22.120    34.006  2.4201  34.694  2.3950  -0.6879234     3.404871 
1 1 1 -25 14  3  o 15.554  1.9783  34.124    7.9188    37.568    11.131    30.594    11.268    16.410  2.6205  14.698  2.9645  1.712173       3.956679 
1 1 1 -25 14  4  o 34.030  1.7299  158.234   15.651    150.258   21.908    166.547   22.367    33.139  2.4863  34.921  2.4060  -1.781967      3.459806 
1 1 1 -25 14  5  o 13.856  3.4035  27.525    12.540    27.525    12.540    0.0000    0.0000    13.856  3.4035  ?       ?       ?              ?        
1 1 1 -25 14  6  o 10.474  2.1691  14.392    6.8583    7.2221    9.3263    22.836    10.120    8.2943  3.1079  12.654  3.0267  -4.359747      4.338183 
1 1 1 -25 14  7  o 12.668  2.2525  22.445    7.8969    13.960    10.775    32.291    11.607    10.244  3.3813  15.093  2.9770  -4.848577      4.505084 
1 1 1 -25 14  8  o 25.543  1.9052  90.083    12.829    88.227    17.763    92.107    18.550    25.274  2.6641  25.811  2.7242  -0.5377350     3.810374 
1 1 1 -25 14  9  o 25.186  1.9357  87.797    12.843    84.761    17.942    90.988    18.392    24.729  2.7556  25.642  2.7194  -0.9130917     3.871480 
1 1 1 -25 14  10 o 12.087  2.4017  20.945    8.1380    23.307    11.212    18.315    11.831    12.736  3.2699  11.438  3.5185  1.298189       4.803379 
1 1 1 -25 14  11 o 11.898  2.3896  20.389    8.2572    26.390    11.207    13.262    12.213    13.551  3.1477  10.244  3.5961  3.306968       4.779118 
1 1 1 -25 14  12 o 46.683  1.9610  301.031   24.406    304.313   34.393    297.702   34.641    46.954  2.7466  46.413  2.7996  0.5411987      3.921964 
1 1 1 -25 14  13 o 13.086  2.4574  24.526    8.9495    17.487    12.343    32.329    12.995    11.227  3.6134  14.945  3.3314  -3.717898      4.914732 
1 1 1 -25 14  14 o 17.366  3.3343  43.503    14.946    43.503    14.946    0.0000    0.0000    17.366  3.3343  ?       ?       ?              ?        
1 1 1 -25 14  15 o 37.610  1.9383  196.725   19.383    188.719   27.189    204.999   27.639    36.809  2.7782  38.410  2.7037  -1.600910      3.876673 
1 1 1 -25 14  16 o 17.783  2.4221  46.601    11.065    55.898    15.490    36.915    15.811    19.800  3.0161  15.766  3.7908  4.033614       4.844223 
1 1 1 -25 14  17 o 23.232  2.1595  77.139    13.062    82.344    18.269    71.696    18.682    24.121  2.8849  22.343  3.2142  1.777515       4.318989 
1 1 1 -25 14  18 o 6.0582  1.9413  -5.6812   6.9378    -1.0868   9.7360    -10.4212  9.8890    6.6507  2.9011  5.4657  2.5804  1.185000       3.882607 
1 1 1 -25 14  19 o 27.761  2.0944  109.855   15.321    111.204   21.383    108.432   21.963    27.973  2.8958  27.548  3.0265  0.4257221      4.188725 
1 1 1 -25 14  20 o 35.631  2.0351  180.571   19.177    163.831   27.151    197.236   27.090    33.866  3.0250  37.395  2.7233  -3.528648      4.070294 
1 1 1 -25 14  21 o 9.5507  2.5640  10.562    9.0373    9.8929    12.520    11.290    13.058    9.3638  3.5797  9.7376  3.6718  -0.3738127     5.128008 
1 1 1 -25 14  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 14  23 o 9.0923  2.6075  6.9464    9.9082    8.2967    14.157    5.6497    13.872    9.3449  3.7368  8.8398  3.6378  0.5050488      5.215087 
1 1 1 -25 14  24 o 22.634  2.5109  76.515    14.708    72.546    20.320    80.882    21.315    21.995  3.5716  23.273  3.5302  -1.277863      5.021878 
1 1 1 -25 14  25 o 10.665  2.5352  12.480    10.302    30.049    14.433    -5.7680   14.710    13.893  3.7787  7.4377  3.3808  6.455298       5.070331 
1 1 1 -25 14  26 o 21.907  2.6109  74.212    14.656    86.476    20.851    62.238    20.604    23.993  3.3347  19.821  4.0184  4.172564       5.221878 
1 1 1 -25 15  1  o 32.190  1.7638  141.997   15.089    142.894   21.371    141.105   21.306    32.293  2.4900  32.087  2.4988  0.2062950      3.527631 
1 1 1 -25 15  2  o 47.084  1.7780  303.001   22.341    298.776   31.422    307.319   31.771    46.750  2.5187  47.419  2.5104  -0.6686935     3.556090 
1 1 1 -25 15  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 15  4  o 60.829  1.9179  506.017   31.242    498.816   43.642    513.587   44.743    60.392  2.6980  61.266  2.7266  -0.8740158     3.835793 
1 1 1 -25 15  5  o 29.389  1.8198  118.729   14.176    115.602   19.756    122.049   20.353    28.988  2.5711  29.790  2.5761  -0.8016872     3.639641 
1 1 1 -25 15  6  o 29.180  1.8493  117.061   14.273    107.954   19.749    127.019   20.652    27.969  2.6687  30.391  2.5609  -2.422216      3.698670 
1 1 1 -25 15  7  o 21.824  2.0793  67.027    11.479    48.828    15.860    87.049    16.636    18.519  3.3194  25.128  2.5051  -6.609051      4.158617 
1 1 1 -25 15  8  o 29.983  1.8997  124.123   15.088    122.175   20.954    126.220   21.742    29.747  2.6579  30.219  2.7151  -0.4724083     3.799460 
1 1 1 -25 15  9  o 42.652  1.9434  250.934   22.079    248.340   30.829    253.664   31.634    42.435  2.7268  42.870  2.7698  -0.4347382     3.886807 
1 1 1 -25 15  10 f 17.915  2.2837  46.214    10.495    51.913    14.566    40.060    15.136    19.191  2.9265  16.639  3.5067  2.551653       4.567419 
1 1 1 -25 15  11 o 43.791  1.9636  265.491   22.912    264.350   32.185    266.662   32.624    43.702  2.7637  43.880  2.7902  -0.1776581     3.927300 
1 1 1 -25 15  12 o 21.943  2.3855  67.496    13.430    82.452    20.611    56.462    17.704    24.089  3.2796  19.796  3.4650  4.292889       4.770995 
1 1 1 -25 15  13 o 12.188  2.7490  21.259    10.090    23.052    13.027    18.572    15.951    12.591  3.6503  11.784  4.1113  0.8067007      5.497952 
1 1 1 -25 15  14 o 40.497  1.9920  228.916   21.471    227.677   30.154    230.191   30.580    40.392  2.8045  40.601  2.8297  -0.2086868     3.984022 
1 1 1 -25 15  15 o 12.267  2.5805  21.405    9.3836    14.233    12.937    29.366    13.631    10.452  3.6981  14.082  3.6000  -3.630241      5.161026 
1 1 1 -25 15  16 o 13.173  2.6444  25.463    9.9120    19.451    13.651    32.167    14.416    11.667  3.8038  14.680  3.6747  -3.013667      5.288841 
1 1 1 -25 15  17 o 8.9341  2.3819  7.2460    8.3135    15.508    11.818    -0.8486   11.697    10.557  3.5428  7.3110  3.1848  3.246186       4.763873 
1 1 1 -25 15  18 o 21.064  2.4411  66.351    12.938    85.765    18.334    47.096    18.259    24.539  2.8420  17.590  3.9698  6.949610       4.882224 
1 1 1 -25 15  19 o 16.799  2.6144  42.896    11.506    34.106    16.323    51.577    16.221    14.901  4.0040  18.697  3.3627  -3.796330      5.228798 
1 1 1 -25 15  20 o 10.224  2.6254  13.578    9.3166    15.571    13.198    11.600    13.153    10.645  3.7383  9.8028  3.6874  0.8420010      5.250877 
1 1 1 -25 15  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 15  22 o 12.690  2.5322  21.936    10.739    1.6451    15.069    42.883    15.310    8.5024  3.6591  16.878  3.5014  -8.375777      5.064476 
1 1 1 -25 15  23 o 13.679  2.8010  28.804    11.660    15.145    16.686    41.841    16.301    10.882  4.1392  16.476  3.7747  -5.593617      5.601923 
1 1 1 -25 15  24 o 16.060  2.9261  41.166    12.668    40.517    17.934    41.813    17.897    15.920  4.1599  16.200  4.1162  -0.2804127     5.852129 
1 1 1 -25 15  25 o 13.771  2.9388  30.587    11.966    23.795    16.957    37.325    16.889    12.338  4.2426  15.204  4.0676  -2.866495      5.877503 
1 1 1 -25 16  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 16  2  o 38.198  1.7929  200.345   18.211    187.464   25.688    213.358   25.820    36.930  2.6139  39.467  2.4547  -2.537582      3.585783 
1 1 1 -25 16  3  o 63.720  1.9799  557.219   33.764    527.141   47.239    588.635   48.278    61.936  2.8475  65.504  2.7516  -3.568089      3.959753 
1 1 1 -25 16  4  o 40.876  1.8420  229.482   20.008    208.198   27.892    252.045   28.718    38.881  2.6949  42.871  2.5119  -3.990227      3.684006 
1 1 1 -25 16  5  o 11.425  2.2934  18.149    7.4262    13.750    10.019    23.512    11.063    10.067  3.2571  12.784  3.2296  -2.717316      4.586870 
1 1 1 -25 16  6  o 16.129  2.2759  37.559    9.4559    41.170    12.957    33.444    13.831    17.056  2.9425  15.203  3.4727  1.853409       4.551704 
1 1 1 -25 16  7  o 19.804  2.1460  55.231    11.005    51.919    15.106    58.977    16.064    19.157  3.0459  20.451  3.0239  -1.293390      4.292045 
1 1 1 -25 16  8  o 19.813  2.2153  55.784    11.345    57.799    15.784    53.630    16.318    20.234  3.0035  19.392  3.2572  0.8426647      4.430583 
1 1 1 -25 16  9  o 22.159  2.1218  69.389    12.228    72.842    16.974    65.663    17.631    22.798  2.8412  21.520  3.1522  1.278349       4.243670 
1 1 1 -25 16  10 o 33.673  1.9796  157.771   17.688    153.995   24.715    161.737   25.326    33.257  2.8006  34.089  2.7984  -0.8320389     3.959111 
1 1 1 -25 16  11 o 13.632  4.8479  25.400    22.259    0.0000    0.0000    25.400    22.259    ?       ?       13.632  4.8479  ?              ?        
1 1 1 -25 16  12 o 8.4671  2.2823  3.8873    7.9192    -5.5901   10.724    15.254    11.744    6.3679  2.8915  10.566  3.5319  -4.198373      4.564541 
1 1 1 -25 16  13 o 50.955  2.0643  363.918   28.054    364.497   39.526    363.329   39.825    51.007  2.9052  50.903  2.9334  0.1038589      4.128508 
1 1 1 -25 16  14 f 19.048  2.4440  53.047    12.008    51.613    16.810    54.540    17.160    18.773  3.4709  19.323  3.4417  -0.5502129     4.887995 
1 1 1 -25 16  15 o 22.662  2.2605  74.210    13.297    68.556    18.860    79.798    18.750    21.712  3.3509  23.612  3.0350  -1.900728      4.520970 
1 1 1 -25 16  16 o 27.529  2.2154  109.893   15.704    131.512   22.182    88.170    22.235    30.511  2.7437  24.547  3.4792  5.963457       4.430877 
1 1 1 -25 16  17 o 31.499  2.0890  141.831   17.378    132.472   24.629    151.111   24.525    30.379  3.0688  32.618  2.8353  -2.238617      4.178076 
1 1 1 -25 16  18 o 16.393  2.7009  41.053    11.652    43.967    16.372    38.062    16.586    17.051  3.6918  15.734  3.9434  1.317431       5.401779 
1 1 1 -25 16  19 o 15.064  2.7047  34.422    11.195    24.148    15.353    46.087    16.360    12.647  4.0257  17.482  3.6133  -4.834898      5.409462 
1 1 1 -25 16  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 16  21 o 13.305  2.8279  27.142    10.894    24.139    14.855    30.637    16.024    12.586  3.9545  14.024  4.0434  -1.438833      5.655707 
1 1 1 -25 16  22 o 9.4984  2.4767  6.9157    9.8556    22.382    13.613    -10.1199  14.287    12.121  3.7818  6.8753  3.1989  5.246079       4.953328 
1 1 1 -25 16  23 o 11.271  2.8137  18.514    10.720    22.084    14.649    14.397    15.729    12.002  3.9416  10.539  4.0163  1.462543       5.627380 
1 1 1 -25 16  24 o 13.488  2.9101  29.149    11.501    24.983    15.651    34.041    16.957    12.536  4.0722  14.441  4.1585  -1.904599      5.820287 
1 1 1 -25 17  1  o 59.893  1.9200  492.934   30.798    483.121   43.382    502.904   43.728    59.283  2.7321  60.504  2.6983  -1.220703      3.839943 
1 1 1 -25 17  2  o 19.377  2.0935  52.893    10.515    51.893    14.579    53.976    15.179    19.193  2.9288  19.561  2.9922  -0.3688126     4.187029 
1 1 1 -25 17  3  o 34.592  1.8649  165.710   17.087    177.225   23.861    153.590   24.479    35.889  2.4978  33.295  2.7700  2.593693       3.729888 
1 1 1 -25 17  4  o 23.574  2.0595  78.858    12.478    91.784    17.339    64.970    17.972    25.751  2.5472  21.398  3.2369  4.353140       4.118952 
1 1 1 -25 17  5  o 42.696  1.9233  252.974   21.778    275.761   30.523    229.345   31.082    44.746  2.5573  40.646  2.8735  4.100670       3.846679 
1 1 1 -25 17  6  o 37.642  1.9177  197.258   19.086    215.775   26.608    177.635   27.392    39.562  2.5241  35.721  2.8876  3.840691       3.835317 
1 1 1 -25 17  7  o 9.5157  2.4013  11.120    7.8206    13.781    10.679    8.0431    11.485    10.111  3.3676  8.9204  3.4242  1.190497       4.802696 
1 1 1 -25 17  8  o 33.953  1.9928  161.069   17.914    169.376   24.999    152.302   25.683    34.917  2.6938  32.989  2.9374  1.928818       3.985598 
1 1 1 -25 17  9  o 28.236  2.0596  111.882   15.335    105.275   21.386    118.874   22.001    27.346  2.9674  29.125  2.8569  -1.779364      4.119150 
1 1 1 -25 17  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 17  11 o 22.265  2.2874  71.233    13.228    73.187    18.503    69.190    18.917    22.625  3.1377  21.904  3.3292  0.7211552      4.574751 
1 1 1 -25 17  12 o 44.852  2.0505  282.884   24.499    278.336   34.386    287.573   34.913    44.483  2.9020  45.220  2.8977  -0.7379456     4.100996 
1 1 1 -25 17  13 o 28.757  2.1335  117.769   16.184    117.684   22.622    117.858   23.161    28.768  2.9791  28.747  3.0549  0.2079582E-01  4.266966 
1 1 1 -25 17  14 o 8.2937  2.3788  4.1309    8.4795    -1.3267   11.863    9.8321    12.125    7.2798  3.1882  9.3076  3.5312  -2.027765      4.757540 
1 1 1 -25 17  15 o 23.826  2.3126  82.705    14.242    70.926    19.884    95.114    20.408    21.921  3.5046  25.731  3.0184  -3.810516      4.625298 
1 1 1 -25 17  16 o 26.068  2.3127  99.628    15.542    116.339   21.952    82.833    22.007    28.510  2.9157  23.625  3.5908  4.884790       4.625471 
1 1 1 -25 17  17 o 9.9580  2.5144  10.244    9.5306    23.046    13.523    -2.3891   13.434    12.365  3.7538  7.5507  3.3462  4.814528       5.028704 
1 1 1 -25 17  18 o 7.3303  2.2616  -1.9386   8.6270    4.1743    12.082    -8.2976   12.323    8.1622  3.3804  6.4985  3.0053  1.663675       4.523127 
1 1 1 -25 17  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 17  20 o 12.705  2.8178  23.968    11.280    13.282    15.813    35.041    16.097    10.436  4.0151  14.974  3.9547  -4.537618      5.635623 
1 1 1 -25 17  21 o 10.687  2.7333  14.695    10.689    23.709    14.789    4.8370    15.466    12.404  3.9514  8.9703  3.7775  3.433468       5.466529 
1 1 1 -25 17  22 o 20.414  2.7061  64.799    14.243    60.129    19.753    69.858    20.557    19.575  3.9043  21.254  3.7481  -1.678677      5.412158 
1 1 1 -25 17  23 o 7.2933  2.2937  -2.6156   9.0229    -6.6253   12.130    2.3515    13.501    6.5254  3.0049  8.0613  3.4663  -1.535901      4.587457 
1 1 1 -25 18  1  o 39.813  1.8750  219.316   19.847    204.259   27.930    234.675   28.207    38.387  2.7343  41.239  2.5664  -2.852310      3.749987 
1 1 1 -25 18  2  o 24.486  2.0500  84.061    13.174    80.216    18.427    88.082    18.843    23.891  2.9418  25.082  2.8557  -1.191063      4.099912 
1 1 1 -25 18  3  o 37.070  1.9029  190.487   18.760    184.852   26.263    196.359   26.808    36.501  2.7055  37.639  2.6765  -1.138237      3.805727 
1 1 1 -25 18  4  o 24.888  2.0674  86.983    13.485    79.843    18.784    94.574    19.370    23.785  3.0162  25.990  2.8282  -2.204117      4.134787 
1 1 1 -25 18  5  o 21.194  2.2079  63.941    12.151    64.276    16.933    63.585    17.448    21.277  3.0592  21.112  3.1845  0.1645164      4.415854 
1 1 1 -25 18  6  o 28.340  2.0204  112.705   15.109    114.571   21.014    110.709   21.740    28.620  2.7761  28.060  2.9361  0.5602608      4.040770 
1 1 1 -25 18  7  o 44.430  1.9935  275.161   23.560    254.154   32.728    297.755   33.943    42.624  2.8836  46.235  2.7533  -3.610329      3.986991 
1 1 1 -25 18  8  o 26.194  5.2513  107.217   35.560    0.0000    0.0000    107.217   35.560    ?       ?       26.194  5.2513  ?              ?        
1 1 1 -25 18  9  o 20.060  2.6201  56.354    13.303    43.172    16.891    77.883    21.588    17.015  3.8022  23.106  3.6059  -6.091198      5.240137 
1 1 1 -25 18  10 o 18.183  2.5118  49.035    11.767    53.797    16.327    43.888    16.974    19.240  3.2863  17.126  3.7997  2.113991       5.023679 
1 1 1 -25 18  11 o 45.439  2.0616  291.630   24.955    288.538   34.978    294.836   35.615    45.201  2.9044  45.676  2.9265  -0.4744339     4.123118 
1 1 1 -25 18  12 o 9.5409  2.4294  8.4947    8.9245    -3.3389   12.482    20.871    12.765    7.1852  3.2025  11.897  3.6540  -4.711483      4.858778 
1 1 1 -25 18  13 o 8.5639  2.3727  5.2263    8.4775    -3.2388   12.003    13.652    11.975    7.0381  3.1384  10.090  3.5592  -3.051498      4.745306 
1 1 1 -25 18  14 o 29.095  2.2188  122.366   17.008    117.325   23.839    127.593   24.273    28.450  3.1829  29.741  3.0922  -1.291357      4.437675 
1 1 1 -25 18  15 o 24.949  2.3569  91.413    15.327    85.817    21.614    97.075    21.738    24.097  3.4469  25.800  3.2154  -1.703213      4.713838 
1 1 1 -25 18  16 o 33.771  2.1542  164.521   19.270    159.090   26.916    170.231   27.602    33.184  3.0628  34.359  3.0302  -1.175446      4.308499 
1 1 1 -25 18  17 o 22.225  2.5136  74.089    14.351    63.350    20.127    85.196    20.469    20.373  3.8289  24.077  3.2576  -3.704332      5.027209 
1 1 1 -25 18  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 18  19 f 23.952  2.5187  86.339    15.660    83.131    22.012    89.625    22.282    23.453  3.6206  24.451  3.5024  -0.9977112     5.037413 
1 1 1 -25 18  20 o 11.257  2.8816  18.143    11.231    20.650    15.668    15.494    16.105    11.735  4.0758  10.779  4.0746  0.9552965      5.763150 
1 1 1 -25 18  21 o 18.598  2.8515  55.577    13.891    42.542    19.427    69.215    19.872    16.018  4.3952  21.178  3.6341  -5.159760      5.702981 
1 1 1 -25 18  22 f 13.761  2.9480  31.441    12.106    38.617    16.816    23.723    17.441    15.335  4.0383  12.186  4.2958  3.149011       5.895913 
1 1 1 -25 19  1  o 66.464  2.0601  615.219   36.666    598.342   51.640    632.378   52.069    65.519  2.9426  67.409  2.8839  -1.889923      4.120166 
1 1 1 -25 19  2  o 44.980  1.9325  281.540   23.170    279.501   32.504    283.646   33.038    44.821  2.7203  45.138  2.7457  -0.3164558     3.865062 
1 1 1 -25 19  3  o 12.419  2.6227  22.568    9.5390    26.795    13.017    17.664    14.019    13.488  3.5534  11.351  3.8585  2.136872       5.245465 
1 1 1 -25 19  4  o 17.272  2.5531  43.789    11.423    40.497    15.719    47.473    16.629    16.558  3.6431  17.986  3.5778  -1.427944      5.106154 
1 1 1 -25 19  5  o 37.117  1.9895  193.042   19.616    183.241   27.507    203.185   27.981    36.123  2.8665  38.111  2.7597  -1.988426      3.979026 
1 1 1 -25 19  6  o 11.933  2.6428  20.275    9.7693    27.585    13.635    12.562    14.004    13.623  3.6590  10.242  3.8142  3.381033       5.285508 
1 1 1 -25 19  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 19  8  o 11.272  2.6489  17.820    9.5187    22.296    13.257    13.057    13.676    12.292  3.7133  10.252  3.7787  2.039543       5.297839 
1 1 1 -25 19  9  o 19.574  2.5259  56.696    12.738    56.004    17.512    57.474    18.561    19.489  3.4826  19.660  3.6595  -0.1706047     5.051768 
1 1 1 -25 19  10 o 23.900  2.3463  83.147    14.312    64.500    19.672    104.115   20.861    20.808  3.6634  26.992  2.9326  -6.183708      4.692605 
1 1 1 -25 19  11 o 19.081  2.5799  54.843    12.675    59.214    17.593    50.126    18.277    20.020  3.4026  18.141  3.8788  1.878633       5.159713 
1 1 1 -25 19  12 o 21.058  2.5213  66.374    13.655    73.678    19.255    58.984    19.367    22.394  3.3098  19.721  3.8042  2.672596       5.042540 
1 1 1 -25 19  13 o 20.971  2.5088  65.727    13.583    62.536    18.988    69.071    19.437    20.405  3.6062  21.537  3.4888  -1.132263      5.017568 
1 1 1 -25 19  14 o 12.184  2.4941  18.912    10.841    41.444    15.186    -4.5046   15.481    16.545  3.5341  7.8222  3.5202  8.723174       4.988145 
1 1 1 -25 19  15 o 23.967  2.4584  85.724    15.125    70.975    21.111    101.276   21.679    21.594  3.7882  26.339  3.1344  -4.745441      4.916765 
1 1 1 -25 19  16 o 12.369  2.8866  22.621    11.455    14.779    16.028    30.809    16.377    10.729  4.0625  14.008  4.1020  -3.279086      5.773241 
1 1 1 -25 19  17 o 16.129  4.2191  41.519    18.435    41.519    18.435    0.0000    0.0000    16.129  4.2191  ?       ?       ?              ?        
1 1 1 -25 19  18 o 19.897  2.8005  61.910    14.394    61.902    20.057    61.919    20.669    19.941  3.8949  19.852  4.0250  0.8950233E-01  5.600925 
1 1 1 -25 19  19 o 7.1414  2.2917  -5.6193   9.5744    -9.8513   13.252    -0.9986   13.848    6.5507  3.0589  7.7322  3.4134  -1.181542      4.583476 
1 1 1 -25 19  20 o 22.117  2.7451  77.490    15.595    87.820    22.128    67.295    21.982    23.868  3.5711  20.365  4.1702  3.502592       5.490239 
1 1 1 -25 20  1  o 43.663  1.9686  267.467   22.851    248.499   32.343    286.373   32.290    42.036  2.8901  45.291  2.6736  -3.255241      3.937134 
1 1 1 -25 20  2  o 10.281  2.5767  13.837    8.9396    16.073    11.891    10.929    13.558    10.728  3.5526  9.8336  3.7333  0.8944674      5.153468 
1 1 1 -25 20  3  o 53.340  2.0177  399.741   28.719    391.851   40.310    407.875   40.926    52.797  2.8611  53.882  2.8458  -1.084774      4.035447 
1 1 1 -25 20  4  o 16.082  2.6568  39.493    11.460    50.705    15.936    27.484    16.493    18.633  3.3146  13.530  4.1530  5.102345       5.313607 
1 1 1 -25 20  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 20  6  o 13.506  2.6857  27.598    10.432    35.275    14.483    19.321    15.040    15.337  3.5892  11.674  3.9963  3.663156       5.371493 
1 1 1 -25 20  7  o 13.301  2.7763  26.923    10.615    29.329    14.377    24.038    15.740    13.908  3.7665  12.693  4.0799  1.214907       5.552680 
1 1 1 -25 20  8  o 37.841  2.0963  204.363   21.064    194.748   29.376    214.536   30.219    36.894  2.9987  38.787  2.9303  -1.893433      4.192699 
1 1 1 -25 20  9  o 31.050  2.2085  139.204   17.960    118.909   24.891    161.247   25.941    28.528  3.3196  33.572  2.9137  -5.043974      4.416943 
1 1 1 -25 20  10 o 14.249  2.7974  31.408    11.043    30.672    15.196    32.232    16.074    14.094  3.8955  14.403  4.0158  -0.3091125     5.594769 
1 1 1 -25 20  11 o 15.997  2.7156  39.129    11.851    25.160    16.197    55.221    17.385    12.822  4.1405  19.172  3.5149  -6.350262      5.431262 
1 1 1 -25 20  12 o 24.358  2.4295  87.975    15.338    78.045    21.196    98.890    22.222    22.791  3.5910  25.924  3.2732  -3.132959      4.858910 
1 1 1 -25 20  13 o 16.811  2.7888  44.045    12.488    33.675    17.324    55.260    18.016    14.575  4.2050  19.048  3.6643  -4.473175      5.577564 
1 1 1 -25 20  14 o 20.425  2.6767  63.846    14.096    59.527    19.610    68.462    20.276    19.642  3.8650  21.208  3.7041  -1.565596      5.353417 
1 1 1 -25 20  15 o 7.8360  3.7840  -29.3782  23.995    0.0000    0.0000    -29.3782  23.995    ?       ?       7.8360  3.7840  ?              ?        
1 1 1 -25 20  16 o 21.060  2.7844  70.210    14.972    86.854    20.954    52.849    21.401    24.124  3.3318  17.996  4.4621  6.128178       5.568748 
1 1 1 -25 20  17 o 8.3950  2.5694  1.0991    10.777    6.1966    15.205    -4.0463   15.277    9.0594  3.7754  7.7306  3.4863  1.328833       5.138834 
1 1 1 -25 20  18 o 13.350  2.9562  28.975    12.175    37.034    16.807    20.076    17.662    15.087  4.0669  11.614  4.2916  3.472735       5.912466 
1 1 1 -25 20  19 o 31.590  2.5024  154.705   20.150    118.012   28.184    193.070   28.819    27.147  3.9956  36.032  3.0137  -8.885162      5.004747 
1 1 1 -25 21  1  o 19.640  2.5245  57.270    12.779    58.927    17.804    55.509    18.352    20.001  3.4479  19.279  3.6883  0.7224483      5.048915 
1 1 1 -25 21  2  o 32.378  2.9786  149.608   25.541    0.0000    0.0000    149.608   25.541    ?       ?       32.378  2.9786  ?              ?        
1 1 1 -25 21  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 21  4  o 11.921  2.7544  20.391    10.190    15.784    13.755    25.994    15.170    10.756  3.8124  13.086  3.9766  -2.329263      5.508865 
1 1 1 -25 21  5  o 14.165  2.8771  30.907    11.455    29.664    15.479    32.412    17.031    13.888  3.9650  14.441  4.1701  -0.5533113     5.754175 
1 1 1 -25 21  6  o 39.842  2.0971  227.363   22.155    206.563   30.855    249.499   31.832    37.862  3.0689  41.821  2.8588  -3.959003      4.194167 
1 1 1 -25 21  7  f 40.569  2.1428  236.793   23.007    209.458   31.930    266.312   33.181    37.997  3.1662  43.141  2.8882  -5.144138      4.285601 
1 1 1 -25 21  8  o 37.976  2.1564  208.222   21.710    192.380   30.144    225.294   31.292    36.404  3.1217  39.548  2.9759  -3.144005      4.312876 
1 1 1 -25 21  9  o 27.041  2.3330  107.836   16.532    108.745   23.001    106.864   23.778    27.219  3.2171  26.862  3.3796  0.3565922      4.666022 
1 1 1 -25 21  10 o 5.3068  1.8175  -16.9147  7.6785    -20.6417  9.9828    -11.5153  12.016    4.5737  2.2571  6.0399  2.8492  -1.466127      3.634907 
1 1 1 -25 21  11 o 16.348  2.8643  42.485    12.537    47.228    17.310    37.252    18.182    17.457  3.8091  15.239  4.2787  2.217616       5.728580 
1 1 1 -25 21  12 o 36.654  2.2411  196.841   21.749    198.348   30.032    195.180   31.540    36.902  3.0662  36.407  3.2692  0.4946136      4.482105 
1 1 1 -25 21  13 o 5.7452  2.6956  -25.5393  7.7859    -9.2944   10.501    -45.3720  11.603    5.7452  2.6956  ?       ?       ?              ?        
1 1 1 -25 21  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 21  15 o 20.549  2.8704  67.183    15.216    50.786    21.095    84.963    21.967    17.518  4.4786  23.579  3.5917  -6.061062      5.740862 
1 1 1 -25 21  16 o 16.170  3.0180  43.455    13.452    51.093    18.731    35.320    19.332    17.823  4.0194  14.517  4.5030  3.306453       6.035979 
1 1 1 -25 21  17 o 11.513  2.9748  20.234    11.937    19.436    16.452    21.122    17.347    11.333  4.1494  11.692  4.2638  -0.3589125     5.949629 
1 1 1 -25 21  18 o 12.892  3.0683  27.968    12.728    22.074    18.013    33.845    17.987    11.756  4.3361  14.027  4.3423  -2.271147      6.136545 
1 1 1 -25 22  1  o 6.1910  2.7805  -3.4438   9.6022    -3.4438   9.6022    0.0000    0.0000    6.1910  2.7805  ?       ?       ?              ?        
1 1 1 -25 22  2  o 18.190  2.6804  51.198    12.620    58.358    17.366    43.185    18.371    19.797  3.3974  16.583  4.1468  3.213259       5.360827 
1 1 1 -25 22  3  o 11.518  2.7989  18.908    10.377    15.897    13.711    22.944    15.876    10.701  3.8049  12.335  4.1059  -1.633632      5.597864 
1 1 1 -25 22  4  o 6.5833  2.1279  -5.8614   8.1945    -6.1667   10.535    -5.3936   13.040    6.1379  2.8168  7.0287  3.1904  -0.8907886     4.255885 
1 1 1 -25 22  5  o 11.200  2.7850  17.110    11.043    26.172    15.083    6.6376    16.213    12.991  3.9689  9.4090  3.9079  3.581851       5.569908 
1 1 1 -25 22  6  o 41.343  2.1494  247.777   23.585    228.036   32.855    268.765   33.876    39.547  3.1272  43.140  2.9495  -3.592625      4.298717 
1 1 1 -25 22  7  o 12.467  2.8686  23.427    11.084    18.099    15.038    29.766    16.402    11.216  3.9851  13.718  4.1272  -2.502273      5.737156 
1 1 1 -25 22  8  o 20.720  2.7011  67.091    14.222    41.147    19.625    95.788    20.640    15.888  4.4398  25.552  3.0776  -9.664478      5.402150 
1 1 1 -25 22  9  o 8.7478  2.5560  4.2228    10.174    12.077    14.169    -4.1375   14.619    9.9153  3.8039  7.5803  3.4152  2.335006       5.112082 
1 1 1 -25 22  10 o 7.6030  2.3975  -3.1474   9.9243    -6.7310   13.501    1.0657    14.638    6.9735  3.1960  8.2325  3.5745  -1.258940      4.794959 
1 1 1 -25 22  11 o 16.696  2.8186  45.670    13.200    64.890    18.268    24.669    19.096    20.740  3.4068  12.651  4.4912  8.088327       5.637131 
1 1 1 -25 22  12 o 12.252  5.2983  13.594    31.900    0.0000    0.0000    13.594    31.900    ?       ?       12.252  5.2983  ?              ?        
1 1 1 -25 22  13 o 8.0548  2.4714  -1.0161   10.354    8.0830    14.435    -10.6579  14.859    9.1882  3.7378  6.9215  3.2344  2.266672       4.942895 
1 1 1 -25 22  14 o 7.8352  2.4566  -1.1665   10.263    1.0947    13.759    -4.0026   15.409    7.9496  3.4586  7.7207  3.4898  0.2288103      4.913271 
1 1 1 -25 22  15 o 8.7421  2.5866  5.4607    10.341    10.034    14.021    0.0055    15.313    9.3585  3.7265  8.1256  3.5881  1.232857       5.173133 
1 1 1 -25 22  16 o 12.029  2.9725  22.609    12.141    14.180    16.585    32.341    17.821    10.315  4.0701  13.743  4.3333  -3.427862      5.944982 
1 1 1 -25 23  1  o 10.589  2.7359  13.543    10.469    5.4734    13.974    23.869    15.807    8.7424  3.6292  12.436  4.0950  -3.693170      5.471793 
1 1 1 -25 23  2  o 31.023  2.2063  141.157   17.947    122.364   24.982    161.202   25.800    28.708  3.3095  33.337  2.9188  -4.628990      4.412685 
1 1 1 -25 23  3  o 6.9449  2.2510  -6.8790   9.2654    -9.0531   11.984    -3.6483   14.609    6.2609  2.9186  7.6288  3.4277  -1.367908      4.501925 
1 1 1 -25 23  4  o 22.663  2.5609  78.353    14.923    67.448    20.831    89.847    21.388    20.820  3.8781  24.507  3.3457  -3.686758      5.121880 
1 1 1 -25 23  5  o 19.165  2.8100  57.897    13.943    59.268    19.376    56.425    20.079    19.496  3.8472  18.835  4.0967  0.6609592      5.619930 
1 1 1 -25 23  6  o 15.372  2.8572  36.755    12.741    19.742    17.291    56.963    18.845    11.632  4.2546  19.113  3.8147  -7.481359      5.714386 
1 1 1 -25 23  7  o 13.329  2.9988  28.511    12.243    33.664    16.870    22.777    17.797    14.447  4.1441  12.212  4.3356  2.234994       5.997635 
1 1 1 -25 23  8  o 10.977  2.8411  16.264    11.644    25.024    15.480    4.8519    17.669    12.610  4.0454  9.3441  3.9902  3.265800       5.682164 
1 1 1 -25 23  9  o 17.779  2.8834  50.212    13.676    35.177    18.616    67.834    20.156    14.628  4.3962  20.930  3.7322  -6.301263      5.766796 
1 1 1 -25 23  10 o 12.209  4.3730  22.953    18.143    0.0000    0.0000    22.953    18.143    ?       ?       12.209  4.3730  ?              ?        
1 1 1 -25 23  11 o 26.721  3.6262  109.862   25.283    109.862   25.283    0.0000    0.0000    26.721  3.6262  ?       ?       ?              ?        
1 1 1 -25 23  12 o 13.747  3.0473  31.654    12.734    37.097    17.181    25.020    18.968    14.998  4.1408  12.497  4.4719  2.500836       6.094575 
1 1 1 -25 23  13 o 22.676  2.8527  83.008    16.676    78.080    23.018    88.452    24.192    21.922  4.0700  23.430  3.9983  -1.508385      5.705348 
1 1 1 -25 23  14 o 10.808  2.8889  16.835    11.796    23.325    16.280    9.6621    17.116    11.947  4.1543  9.6691  4.0155  2.278240       5.777790 
1 1 1 -25 24  1  o 12.544  2.8423  25.039    11.479    33.491    15.226    13.909    17.473    14.496  3.8548  10.591  4.1780  3.904560       5.684659 
1 1 1 -25 24  2  o 15.623  2.8133  38.609    12.313    24.123    16.771    55.550    18.136    12.382  4.2202  18.865  3.7214  -6.482996      5.626600 
1 1 1 -25 24  3  o 24.961  2.5241  95.582    16.323    100.458   22.609    90.273    23.591    25.816  3.3485  24.107  3.7777  1.709282       5.048123 
1 1 1 -25 24  4  o 9.6612  2.6567  7.8129    10.264    -1.2836   13.278    21.315    16.177    7.5275  3.3318  11.795  4.1389  -4.267330      5.313301 
1 1 1 -25 24  5  o 7.6850  2.2321  -3.4993   9.2897    13.643    11.876    -30.5201  14.911    9.8689  3.5378  5.5011  2.7226  4.367830       4.464140 
1 1 1 -25 24  6  o 12.122  2.5993  14.946    11.906    -10.9240  16.067    46.454    17.731    7.2088  3.3669  17.035  3.9611  -9.825958      5.198649 
1 1 1 -25 24  7  o 20.493  2.8306  66.555    14.957    57.271    20.470    77.189    21.907    18.787  4.1760  22.199  3.8224  -3.411625      5.661259 
1 1 1 -25 24  8  o 10.238  2.8544  11.797    12.133    20.274    16.309    1.2876    18.159    11.552  4.1452  8.9232  3.9253  2.629019       5.708812 
1 1 1 -25 24  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 24  10 o 19.208  3.0001  61.552    15.299    42.216    21.211    82.519    22.088    15.534  4.6980  22.883  3.7324  -7.349263      6.000169 
1 1 1 -25 24  11 o 15.530  3.1220  41.889    14.032    52.382    19.618    30.898    20.078    17.675  4.2050  13.385  4.6158  4.289644       6.244002 
1 1 1 -25 24  12 o 11.973  2.9303  22.263    12.507    35.835    17.508    8.1174    17.874    14.419  4.2467  9.5269  4.0390  4.891718       5.860659 
1 1 1 -25 25  1  o 12.631  2.9949  23.762    12.545    12.110    16.743    38.677    18.943    10.123  4.0582  15.139  4.4055  -5.015560      5.989820 
1 1 1 -25 25  2  o 19.273  2.8963  60.448    14.468    62.515    19.861    58.110    21.119    19.809  3.8822  18.738  4.2991  1.070751       5.792570 
1 1 1 -25 25  3  o 12.455  2.6814  17.211    12.026    -5.5040   15.778    48.707    18.579    7.6302  3.4811  17.281  4.0794  -9.650473      5.362776 
1 1 1 -25 25  4  o 16.133  2.8842  41.420    14.135    15.329    19.275    71.775    20.790    10.919  4.3624  21.347  3.7742  -10.42728      5.768492 
1 1 1 -25 25  5  o 10.921  2.9343  16.984    11.817    18.064    15.599    15.529    18.104    11.032  4.0402  10.809  4.2564  0.2232199      5.868590 
1 1 1 -25 25  6  o 17.556  3.4116  54.104    16.486    57.466    24.492    51.318    22.293    17.962  4.9376  17.150  4.7093  0.8123684      6.823281 
1 1 1 -25 25  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 25  8  o 5.1562  1.8137  -29.2780  9.4680    -32.3189  12.494    -25.1755  14.512    4.6665  2.3381  5.6459  2.7735  -0.9793983     3.627498 
1 1 1 -25 25  9  o 28.578  2.6651  130.545   19.878    123.086   27.638    138.540   28.612    27.648  3.8353  29.508  3.7016  -1.859840      5.330256 
1 1 1 -25 25  10 f 17.622  3.1760  56.098    15.635    72.509    21.909    39.067    22.319    20.791  4.0798  14.452  4.8687  6.338816       6.352087 
1 1 1 -25 26  1  o 23.559  2.8450  90.079    17.269    94.301    24.059    85.593    24.803    24.339  3.8161  22.779  4.2205  1.559652       5.689949 
1 1 1 -25 26  2  o 10.912  2.5508  7.2549    11.070    -15.2572  14.356    40.279    17.388    6.3059  3.0145  15.519  4.1158  -9.212809      5.101646 
1 1 1 -25 26  3  o 31.058  2.5275  150.277   20.391    126.623   28.249    176.006   29.463    28.155  3.8465  33.961  3.2797  -5.805870      5.054914 
1 1 1 -25 26  4  o 25.026  3.9292  101.281   25.470    0.0000    0.0000    101.281   25.470    ?       ?       25.026  3.9292  ?              ?        
1 1 1 -25 26  5  o 13.233  4.7033  30.762    20.948    30.762    20.948    0.0000    0.0000    13.233  4.7033  ?       ?       ?              ?        
1 1 1 -25 26  6  o 18.692  3.1683  62.463    16.211    81.772    22.788    42.678    23.066    22.294  3.9613  15.089  4.9457  7.204593       6.336519 
1 1 1 -25 26  7  o 7.0107  2.3183  -12.7750  10.792    -22.6104  14.141    0.9449    16.702    5.6580  2.7708  8.3634  3.7175  -2.705379      4.636503 
1 1 1 -25 26  8  o 16.203  2.9639  47.951    15.288    76.625    21.131    16.455    22.147    21.529  3.8035  10.878  4.5467  10.65144       5.927814 
1 1 1 -25 27  1  o 10.104  2.9687  8.6061    13.916    -4.4231   19.055    23.499    20.372    8.2866  3.7975  11.922  4.5642  -3.635236      5.937405 
1 1 1 -25 27  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -25 27  3  o 11.019  3.2095  12.640    14.274    3.8902    17.014    33.440    26.232    8.7490  3.8252  13.289  5.1548  -4.539691      6.419064 
1 1 1 -25 27  4  o 9.6917  2.8717  9.2541    12.482    3.1486    16.287    17.943    19.430    8.4944  3.7275  10.889  4.3695  -2.394665      5.743393 
1 1 1 -25 27  5  o 15.375  2.9608  43.682    14.923    69.175    20.355    14.054    21.944    20.259  3.8926  10.490  4.4624  9.768779       5.921577 
1 1 1 -25 27  6  o 6.7819  2.2713  -19.7875  11.103    -36.6556  14.569    3.5806    17.147    4.9749  2.4971  8.5888  3.7946  -3.613865      4.542548 
1 1 1 -25 28  1  o 12.590  3.2099  27.184    14.381    14.372    18.971    44.491    22.050    10.189  4.2291  14.991  4.8300  -4.801998      6.419816 
1 1 1 -25 28  2  o 12.861  3.2871  32.131    14.656    35.220    19.800    28.388    21.796    13.495  4.5855  12.226  4.7110  1.268803       6.574260 
1 1 1 -24 -21 7  o 21.261  2.9796  70.305    16.166    61.525    24.647    76.935    21.416    19.717  4.7280  22.805  3.6276  -3.087515      5.959281 
1 1 1 -24 -21 8  o 14.268  3.2279  31.157    13.837    29.594    21.866    32.202    17.870    14.046  4.8184  14.490  4.2964  -0.4436941     6.455743 
1 1 1 -24 -21 9  o 24.844  2.8363  91.996    18.187    101.627   26.507    83.429    24.999    26.157  3.9029  23.531  4.1164  2.625784       5.672520 
1 1 1 -24 -21 10 o 8.3536  2.5924  -2.3898   11.433    -14.5571  18.766    4.7934    14.419    7.7967  3.6405  8.9104  3.6918  -1.113766      5.184813 
1 1 1 -24 -21 11 o 23.169  3.0271  80.577    18.008    98.363    26.710    65.756    24.383    25.701  4.0109  20.636  4.5351  5.065561       6.054280 
1 1 1 -24 -21 12 o 24.911  3.0178  95.990    18.924    70.653    27.495    118.796   26.086    21.181  4.9374  28.640  3.4713  -7.459162      6.035605 
1 1 1 -24 -21 13 o 21.427  3.0903  74.044    17.151    44.082    25.474    98.886    23.195    16.702  5.1672  26.152  3.3911  -9.450874      6.180614 
1 1 1 -24 -21 14 o 27.707  2.9316  113.769   21.013    125.638   31.290    104.019   28.360    29.037  4.1404  26.376  4.1514  2.660572       5.863148 
1 1 1 -24 -21 15 o 26.192  3.1430  109.427   20.282    68.083    29.730    145.420   27.739    20.548  5.3495  31.836  3.3010  -11.28815      6.285964 
1 1 1 -24 -21 16 o 15.751  3.0859  29.794    15.810    71.857    25.103    2.1393    20.354    21.644  4.4777  9.8570  4.2474  11.78752       6.171710 
1 1 1 -24 -21 17 o 50.473  2.4216  365.731   32.523    382.394   46.348    349.566   45.650    51.665  3.3676  49.281  3.4808  2.384209       4.843176 
1 1 1 -24 -21 18 o 20.975  3.3510  67.240    18.306    83.187    28.174    55.589    24.083    23.151  4.7040  18.800  4.7737  4.350393       6.701957 
1 1 1 -24 -21 19 o 9.9554  2.9701  4.0791    13.979    -8.2523   22.271    12.096    17.956    9.1654  4.1638  10.745  4.2365  -1.579883      5.940114 
1 1 1 -24 -21 20 o 42.603  2.5618  263.967   28.800    298.308   41.545    232.197   39.960    45.449  3.4382  39.756  3.7988  5.692806       5.123652 
1 1 1 -24 -21 21 o 13.022  3.1811  16.375    16.796    -17.3466  24.297    47.240    23.245    8.8312  4.1298  17.213  4.8397  -8.381837      6.362204 
1 1 1 -24 -21 22 o 17.014  4.1108  48.015    21.235    40.058    44.253    50.395    24.203    16.346  6.5818  17.681  4.9269  -1.334623      8.221593 
1 1 1 -24 -20 2  o 17.034  3.1432  44.813    14.450    53.670    22.024    38.118    19.147    18.465  4.4951  15.602  4.3945  2.863663       6.286344 
1 1 1 -24 -20 3  o 34.281  2.4160  170.289   21.873    178.692   31.367    162.335   30.517    35.142  3.3739  33.420  3.4592  1.721409       4.832064 
1 1 1 -24 -20 4  o 45.189  2.2954  293.194   27.450    264.620   39.124    320.898   38.523    42.828  3.4396  47.550  3.0406  -4.722301      4.590889 
1 1 1 -24 -20 5  o 12.461  3.1523  21.477    13.284    18.128    21.072    23.686    17.113    12.152  4.6444  12.769  4.2634  -0.6172323     6.304516 
1 1 1 -24 -20 6  o 19.735  2.9524  57.305    15.408    89.428    23.489    33.045    20.413    24.727  3.6568  14.743  4.6362  9.984168       5.904788 
1 1 1 -24 -20 7  f 41.235  2.2791  241.739   24.971    243.586   35.309    239.892   35.319    41.404  3.2090  41.066  3.2371  0.3372116      4.558145 
1 1 1 -24 -20 8  o 38.126  2.3139  207.071   23.375    198.956   33.258    214.993   32.860    37.320  3.3632  38.932  3.1788  -1.611858      4.627759 
1 1 1 -24 -20 9  o 23.095  2.8680  79.029    17.050    81.291    25.168    77.111    23.178    23.339  4.1796  22.851  3.9285  0.4878101      5.736044 
1 1 1 -24 -20 10 o 14.444  3.2083  30.932    13.636    32.375    21.609    29.977    17.578    14.719  4.7851  14.169  4.2749  0.5509214      6.416548 
1 1 1 -24 -20 11 o 22.465  3.0079  75.654    17.381    74.071    25.588    77.011    23.683    22.122  4.4721  22.808  4.0238  -0.6856365     6.015816 
1 1 1 -24 -20 12 o 13.842  3.1056  27.884    14.364    7.6646    22.383    42.042    18.729    10.993  4.5809  16.691  4.1945  -5.697465      6.211145 
1 1 1 -24 -20 13 o 24.413  2.9909  86.780    18.391    128.639   28.102    55.422    24.323    29.882  3.5824  18.944  4.7905  10.93896       5.981881 
1 1 1 -24 -20 14 o 27.271  2.8170  108.748   19.934    116.961   29.148    101.532   27.322    28.264  3.9589  26.277  4.0088  1.986168       5.634072 
1 1 1 -24 -20 15 o 16.906  3.4413  43.368    16.406    51.817    24.790    36.783    21.884    18.255  4.9468  15.557  4.7855  2.698254       6.882699 
1 1 1 -24 -20 16 f 22.643  3.1754  79.601    18.452    59.244    27.022    97.388    25.258    19.432  5.1200  25.854  3.7574  -6.422382      6.350743 
1 1 1 -24 -20 17 o 26.124  2.9884  102.725   19.907    89.045    29.307    114.442   27.124    24.163  4.6974  28.084  3.6954  -3.921148      5.976800 
1 1 1 -24 -20 18 o 31.712  2.6393  145.278   21.829    167.660   31.850    125.452   29.976    34.153  3.5328  29.271  3.9221  4.882484       5.278570 
1 1 1 -24 -20 19 o 54.876  2.4084  428.451   35.187    456.110   50.906    403.146   48.691    56.606  3.3728  53.146  3.4389  3.459679       4.816802 
1 1 1 -24 -20 20 o 68.486  2.4370  668.889   44.565    711.447   63.632    627.919   62.434    70.767  3.3570  66.205  3.5336  4.561844       4.873994 
1 1 1 -24 -20 21 o 12.992  3.0491  13.616    14.938    49.044    23.097    -11.8567  19.585    17.727  4.7629  8.2583  3.8084  9.468397       6.098280 
1 1 1 -24 -20 22 o 30.430  2.8225  137.845   22.220    124.394   32.306    149.922   30.612    28.750  4.3295  32.111  3.6224  -3.361086      5.645029 
1 1 1 -24 -20 23 o 20.260  3.4405  64.403    18.516    76.335    27.086    53.935    25.369    22.132  4.7135  18.387  5.0131  3.744743       6.881068 
1 1 1 -24 -20 24 o 15.776  3.5770  38.962    17.110    44.413    25.286    34.358    23.238    16.644  5.1480  14.908  4.9678  1.735555       7.154039 
1 1 1 -24 -20 25 o 26.908  3.0684  109.977   21.079    137.343   31.092    86.701    28.674    30.338  3.9177  23.477  4.7236  6.861780       6.136894 
1 1 1 -24 -20 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -19 1  o 10.393  2.8746  11.430    11.698    3.6937    19.544    15.749    14.602    9.8619  4.2036  10.924  3.9221  -1.062158      5.749188 
1 1 1 -24 -19 2  o 17.736  3.1433  49.079    14.945    42.508    22.524    54.247    19.975    16.505  4.8042  18.966  4.0549  -2.461596      6.286688 
1 1 1 -24 -19 3  o 18.020  3.0695  49.212    14.586    53.751    21.842    45.558    19.596    18.740  4.4225  17.300  4.2577  1.440233       6.138939 
1 1 1 -24 -19 4  o 6.9365  2.2376  -11.4047  10.091    -36.4879  17.443    1.2136    12.372    6.0130  2.9703  7.8601  3.3473  -1.847178      4.475128 
1 1 1 -24 -19 5  o 27.969  2.5352  113.075   18.506    110.753   26.913    115.159   25.489    27.609  3.7353  28.329  3.4289  -0.7205410     5.070470 
1 1 1 -24 -19 6  o 32.144  2.3556  147.252   19.968    144.176   28.612    150.174   27.881    31.765  3.4165  32.523  3.2438  -0.7583923     4.711174 
1 1 1 -24 -19 7  o 15.456  3.0074  32.634    13.814    57.393    21.322    14.723    18.135    19.582  4.1916  11.330  4.3138  8.252902       6.014817 
1 1 1 -24 -19 8  o 14.005  2.9345  29.652    12.226    18.980    19.088    37.076    15.921    12.194  4.4687  15.816  3.8046  -3.622899      5.868913 
1 1 1 -24 -19 9  o 46.074  2.2482  298.734   27.559    286.338   38.719    311.461   39.234    45.066  3.2290  47.081  3.1290  -2.014748      4.496359 
1 1 1 -24 -19 10 o 53.451  2.2524  401.570   32.086    386.692   45.176    416.715   45.580    52.410  3.2340  54.491  3.1361  -2.080982      4.504871 
1 1 1 -24 -19 11 o 7.5059  2.2982  -7.0629   10.017    -37.2255  17.441    7.7849    12.237    5.9936  2.9625  9.0183  3.5145  -3.024685      4.596492 
1 1 1 -24 -19 12 o 9.2708  2.7812  -0.5139   11.831    11.356    19.556    -7.3666   14.859    11.053  4.4010  7.4890  3.4017  3.563640       5.562400 
1 1 1 -24 -19 13 o 14.425  3.2838  28.898    14.365    40.134    22.705    21.399    18.549    16.262  4.8477  12.588  4.4309  3.673758       6.567604 
1 1 1 -24 -19 14 o 29.925  2.6207  128.482   20.504    140.564   29.878    117.725   28.191    31.307  3.6304  28.543  3.7805  2.764503       5.241366 
1 1 1 -24 -19 15 o 39.107  2.4111  217.130   24.967    212.962   36.016    220.985   34.641    38.676  3.5151  39.539  3.3012  -0.8629303     4.822225 
1 1 1 -24 -19 16 o 37.729  2.3897  201.169   23.787    227.240   34.673    177.990   32.693    40.120  3.2546  35.338  3.5001  4.782890       4.779461 
1 1 1 -24 -19 17 o 13.352  3.3124  23.525    14.807    32.636    22.162    16.179    19.900    14.863  4.8467  11.842  4.5164  3.020858       6.624836 
1 1 1 -24 -19 18 o 25.290  2.9157  93.817    18.995    106.973   27.758    82.232    26.048    27.076  3.9433  23.503  4.2961  3.573112       5.831429 
1 1 1 -24 -19 19 o 21.901  3.2639  72.155    18.575    90.316    27.430    56.772    25.245    24.630  4.3151  19.172  4.8982  5.458103       6.527774 
1 1 1 -24 -19 20 o 13.239  3.4041  23.375    15.743    18.439    23.197    27.590    21.434    12.590  4.8576  13.889  4.7703  -1.298482      6.808186 
1 1 1 -24 -19 21 o 22.578  3.2004  76.678    18.647    87.020    27.563    67.951    25.321    24.052  4.4420  21.104  4.6086  2.947895       6.400815 
1 1 1 -24 -19 22 o 17.390  3.2262  44.856    16.980    75.204    24.537    16.967    23.522    22.400  4.2451  12.381  4.8592  10.01859       6.452337 
1 1 1 -24 -19 23 o 18.536  3.4001  54.129    17.350    41.305    25.240    65.618    23.890    16.309  5.1585  20.763  4.4308  -4.454008      6.800137 
1 1 1 -24 -19 24 o 39.857  2.4708  228.538   26.102    225.634   37.165    231.366   36.669    39.567  3.5444  40.148  3.4432  -0.5811577     4.941545 
1 1 1 -24 -19 25 o 33.205  2.7298  162.648   23.668    149.478   34.140    174.835   32.842    31.696  4.1187  34.714  3.5836  -3.018642      5.459540 
1 1 1 -24 -19 26 o 39.873  2.5254  231.442   26.613    218.748   38.117    243.517   37.174    38.661  3.7271  41.085  3.4088  -2.423847      5.050849 
1 1 1 -24 -19 27 o 36.235  2.5802  193.076   24.563    174.070   34.831    211.879   34.646    34.257  3.8635  38.213  3.4211  -3.956570      5.160464 
1 1 1 -24 -19 28 o 23.824  5.7318  96.376    36.131    0.0000    0.0000    96.376    36.131    ?       ?       23.824  5.7318  ?              ?        
1 1 1 -24 -18 1  o 18.205  3.1992  51.646    15.769    39.641    23.178    61.989    21.515    16.049  4.9229  20.360  4.0873  -4.311346      6.398496 
1 1 1 -24 -18 2  o 11.734  3.0478  17.348    12.429    18.240    19.344    16.722    16.220    12.065  4.4848  11.404  4.1284  0.6610680      6.095642 
1 1 1 -24 -18 3  o 29.410  2.5080  123.962   19.014    152.323   27.730    98.798    26.121    32.797  3.1974  26.023  3.8649  6.774061       5.016077 
1 1 1 -24 -18 4  o 44.682  2.2140  280.751   26.301    297.245   37.476    264.744   36.919    46.030  3.0570  43.334  3.2035  2.695969       4.428097 
1 1 1 -24 -18 5  o 15.988  2.8580  34.376    13.479    65.034    20.904    12.557    17.635    21.066  3.8466  10.910  4.2282  10.15550       5.716053 
1 1 1 -24 -18 6  o 18.371  2.9762  50.250    14.305    54.224    21.092    46.865    19.467    19.039  4.2442  17.703  4.1735  1.336145       5.952436 
1 1 1 -24 -18 7  o 16.191  2.9291  40.102    13.023    28.889    19.587    48.986    17.435    14.085  4.5538  18.297  3.6852  -4.211694      5.858122 
1 1 1 -24 -18 8  o 26.973  2.4977  104.321   17.576    102.034   25.428    106.413   24.320    26.621  3.6632  27.324  3.3963  -0.7028580     4.995375 
1 1 1 -24 -18 9  o 27.688  2.5206  109.840   17.932    134.477   26.001    87.493    24.763    30.864  3.1913  24.512  3.9025  6.351944       5.041245 
1 1 1 -24 -18 10 o 21.702  2.9759  72.921    16.453    47.537    24.258    94.546    22.390    17.626  4.9398  25.777  3.3200  -8.150414      5.951818 
1 1 1 -24 -18 11 o 23.938  2.7304  83.022    16.870    87.863    24.935    78.936    22.910    24.563  3.9219  23.314  3.7997  1.249460       5.460700 
1 1 1 -24 -18 12 o 43.583  2.2645  267.130   26.223    258.121   37.448    275.798   36.731    42.800  3.2918  44.365  3.1107  -1.564560      4.529069 
1 1 1 -24 -18 13 o 33.974  2.4155  163.560   21.637    177.118   31.113    150.862   30.110    35.399  3.3202  32.549  3.5092  2.849800       4.830984 
1 1 1 -24 -18 14 f 34.704  2.4222  170.773   22.206    173.141   32.087    168.597   30.762    34.907  3.4782  34.501  3.3720  0.4058456      4.844393 
1 1 1 -24 -18 15 o 23.200  2.8558  78.448    17.041    84.740    25.457    73.339    22.938    24.024  4.1034  22.375  3.9729  1.649103       5.711546 
1 1 1 -24 -18 16 o 14.304  2.9329  23.043    14.170    56.569    21.735    -1.7403   18.687    19.458  4.2861  9.1503  4.0046  10.30766       5.865826 
1 1 1 -24 -18 17 o 35.698  2.3966  180.649   22.611    180.602   32.788    180.691   31.222    35.641  3.4789  35.754  3.2974  -0.1129990     4.793281 
1 1 1 -24 -18 18 o 43.106  2.3143  262.006   26.512    259.661   37.849    264.266   37.147    42.884  3.3210  43.328  3.2240  -0.4442787     4.628522 
1 1 1 -24 -18 19 o 19.486  3.3016  58.021    17.049    51.896    24.610    63.672    23.641    18.380  4.9070  20.592  4.4186  -2.212097      6.603196 
1 1 1 -24 -18 20 o 24.628  3.1147  90.089    19.684    87.851    26.362    92.908    29.593    24.392  4.1858  24.864  4.6135  -0.4719448     6.229395 
1 1 1 -24 -18 21 o 46.352  2.5821  297.130   31.269    245.010   40.308    375.901   49.553    41.368  3.6761  51.337  3.6271  -9.969345      5.164266 
1 1 1 -24 -18 22 o 25.089  3.1529  94.369    20.204    95.669    26.805    92.658    30.743    25.512  4.0587  24.667  4.8260  0.8450603      6.305775 
1 1 1 -24 -18 23 o 14.093  3.4940  27.495    16.500    20.173    22.791    35.559    23.919    12.797  4.8447  15.389  5.0359  -2.591890      6.987911 
1 1 1 -24 -18 24 f 30.456  2.8447  137.962   21.885    103.652   31.025    171.943   30.877    26.192  4.5897  34.720  3.3623  -8.528025      5.689441 
1 1 1 -24 -18 25 o 51.146  2.3316  371.594   31.771    375.808   45.159    367.465   44.705    51.436  3.2952  50.856  3.2997  0.5799713      4.663278 
1 1 1 -24 -18 26 o 28.578  2.8630  122.033   20.911    100.073   29.833    143.244   29.319    25.677  4.5018  31.479  3.5386  -5.801781      5.726092 
1 1 1 -24 -18 27 o 17.313  3.3948  46.532    18.035    19.956    25.696    72.333    25.318    12.941  5.0789  21.685  4.5060  -8.743962      6.789687 
1 1 1 -24 -18 28 o 16.403  3.5841  41.990    17.824    29.240    24.588    56.110    25.874    14.124  5.0874  18.683  5.0500  -4.559386      7.168298 
1 1 1 -24 -18 29 o 28.028  2.8602  118.362   20.844    120.916   29.431    115.792   29.524    28.382  3.9809  27.673  4.1078  0.7087860      5.720305 
1 1 1 -24 -18 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -17 1  o 12.017  2.9625  19.386    12.153    9.8989    18.970    25.990    15.826    10.714  4.3109  13.319  4.0648  -2.605496      5.925087 
1 1 1 -24 -17 2  o 18.242  2.8048  48.461    13.308    61.084    20.132    38.665    17.736    20.405  3.8241  16.079  4.1042  4.326336       5.609662 
1 1 1 -24 -17 3  o 34.921  2.2786  172.124   21.056    181.113   30.151    163.566   29.418    35.844  3.1733  33.999  3.2708  1.845127       4.557197 
1 1 1 -24 -17 4  o 33.449  2.2657  158.090   19.997    146.142   28.243    170.101   28.317    32.102  3.3333  34.797  3.0696  -2.695690      4.531366 
1 1 1 -24 -17 5  o 14.366  2.9881  30.822    12.402    24.945    18.781    35.367    16.515    13.292  4.4662  15.440  3.9710  -2.147318      5.976254 
1 1 1 -24 -17 6  o 35.958  2.2183  182.029   21.053    200.556   29.836    163.657   29.712    37.885  2.9639  34.030  3.3012  3.854580       4.436500 
1 1 1 -24 -17 7  o 11.801  2.7155  17.685    11.454    -2.0835   17.710    31.901    15.018    8.8826  3.8927  14.719  3.7873  -5.836610      5.431031 
1 1 1 -24 -17 8  o 17.776  4.4024  47.399    20.851    47.399    20.851    0.0000    0.0000    17.776  4.4024  ?       ?       ?              ?        
1 1 1 -24 -17 9  o 31.517  3.3082  140.344   27.510    140.344   27.510    0.0000    0.0000    31.517  3.3082  ?       ?       ?              ?        
1 1 1 -24 -17 10 o 18.728  4.2575  52.202    20.874    52.202    20.874    0.0000    0.0000    18.728  4.2575  ?       ?       ?              ?        
1 1 1 -24 -17 11 o 47.134  3.1566  310.834   39.621    310.834   39.621    0.0000    0.0000    47.134  3.1566  ?       ?       ?              ?        
1 1 1 -24 -17 12 o 9.6541  4.1345  1.5138    19.068    1.5138    19.068    0.0000    0.0000    9.6541  4.1345  ?       ?       ?              ?        
1 1 1 -24 -17 13 o 37.932  3.3683  202.943   33.866    202.943   33.866    0.0000    0.0000    37.932  3.3683  ?       ?       ?              ?        
1 1 1 -24 -17 14 o 29.573  2.7449  126.913   20.968    134.931   28.387    117.286   31.106    30.811  3.5019  28.336  4.2278  2.475363       5.489798 
1 1 1 -24 -17 15 o 26.703  2.8231  102.507   19.464    89.834    26.209    118.092   29.064    24.801  4.0878  28.605  3.8947  -3.803173      5.646153 
1 1 1 -24 -17 16 o 10.321  2.9770  7.6097    12.995    8.4203    18.450    6.8115    18.308    10.452  4.2353  10.191  4.1847  0.2616596      5.953945 
1 1 1 -24 -17 17 o 18.918  4.6241  54.075    23.233    54.075    23.233    0.0000    0.0000    18.918  4.6241  ?       ?       ?              ?        
1 1 1 -24 -17 18 o 8.3273  3.7924  -9.3951   18.621    -9.3951   18.621    0.0000    0.0000    8.3273  3.7924  ?       ?       ?              ?        
1 1 1 -24 -17 19 o 24.583  4.0251  88.328    25.586    88.328    25.586    0.0000    0.0000    24.583  4.0251  ?       ?       ?              ?        
1 1 1 -24 -17 20 o 45.187  3.2331  287.238   38.873    287.238   38.873    0.0000    0.0000    45.187  3.2331  ?       ?       ?              ?        
1 1 1 -24 -17 21 o 26.296  3.9021  100.552   26.649    100.552   26.649    0.0000    0.0000    26.296  3.9021  ?       ?       ?              ?        
1 1 1 -24 -17 22 o 30.733  3.7197  135.984   29.996    135.984   29.996    0.0000    0.0000    30.733  3.7197  ?       ?       ?              ?        
1 1 1 -24 -17 23 o 25.133  4.0485  92.736    26.328    92.736    26.328    0.0000    0.0000    25.133  4.0485  ?       ?       ?              ?        
1 1 1 -24 -17 24 o 33.495  3.4543  160.087   30.545    160.087   30.545    0.0000    0.0000    33.495  3.4543  ?       ?       ?              ?        
1 1 1 -24 -17 25 o 16.733  3.5523  42.707    17.455    33.106    24.218    53.086    25.180    14.979  5.0715  18.486  4.9755  -3.506679      7.104642 
1 1 1 -24 -17 26 o 51.444  2.5570  368.525   34.491    309.111   44.586    457.064   54.428    46.411  3.6152  56.476  3.6171  -10.06529      5.113997 
1 1 1 -24 -17 27 o 14.851  3.5075  32.517    17.147    44.533    23.471    18.764    25.110    16.908  4.8991  12.795  5.0209  4.113740       7.015015 
1 1 1 -24 -17 28 o 8.4997  2.7746  -12.8890  14.838    -6.1094   19.323    -22.6299  23.162    8.7332  3.9313  8.2662  3.9164  0.4670162      5.549129 
1 1 1 -24 -17 29 o 19.698  3.4262  61.800    18.296    77.280    25.788    46.112    25.962    22.428  4.4499  16.968  5.2110  5.460453       6.852431 
1 1 1 -24 -17 30 o 14.203  3.3941  28.120    17.269    48.886    23.699    4.6090    25.216    17.467  4.8782  10.939  4.7204  6.528456       6.788146 
1 1 1 -24 -17 31 o 24.999  5.1374  101.656   33.250    0.0000    0.0000    101.656   33.250    ?       ?       24.999  5.1374  ?              ?        
1 1 1 -24 -16 1  o 24.952  3.7732  90.301    24.430    90.301    24.430    0.0000    0.0000    24.952  3.7732  ?       ?       ?              ?        
1 1 1 -24 -16 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 4  o 45.170  3.0414  284.953   36.583    0.0000    0.0000    284.953   36.583    ?       ?       45.170  3.0414  ?              ?        
1 1 1 -24 -16 5  o 33.161  2.9208  150.785   23.039    180.752   44.074    139.518   27.025    34.865  4.8511  31.457  3.2545  3.407715       5.841649 
1 1 1 -24 -16 6  o 24.846  2.5320  88.871    16.224    78.206    23.204    99.073    22.694    23.226  3.8657  26.465  3.2711  -3.239134      5.063972 
1 1 1 -24 -16 7  o 23.299  2.5805  78.195    15.528    74.097    22.412    81.979    21.534    22.619  3.8364  23.978  3.4523  -1.359779      5.161028 
1 1 1 -24 -16 8  o 21.324  2.6691  65.543    14.659    70.512    21.568    61.277    19.984    22.086  3.7819  20.562  3.7674  1.524059       5.338150 
1 1 1 -24 -16 9  o 24.010  2.6866  83.553    16.574    72.949    23.692    93.716    23.194    22.342  4.1105  25.679  3.4603  -3.336729      5.373102 
1 1 1 -24 -16 10 o 16.251  2.8381  39.841    14.394    6.6933    21.431    67.087    19.429    10.835  4.4960  21.666  3.4647  -10.83088      5.676124 
1 1 1 -24 -16 11 o 16.585  3.1658  40.968    14.406    43.203    20.203    38.657    20.549    17.042  4.3967  16.127  4.5561  0.9159374      6.331558 
1 1 1 -24 -16 12 o 11.410  3.0332  12.841    12.884    23.477    19.461    4.5416    17.191    13.158  4.5439  9.6617  4.0193  3.495859       6.066459 
1 1 1 -24 -16 13 o 34.414  3.2929  166.306   29.983    166.306   29.983    0.0000    0.0000    34.414  3.2929  ?       ?       ?              ?        
1 1 1 -24 -16 14 o 24.835  3.9441  89.145    25.359    89.145    25.359    0.0000    0.0000    24.835  3.9441  ?       ?       ?              ?        
1 1 1 -24 -16 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 18 o 20.962  4.2415  64.913    22.997    64.913    22.997    0.0000    0.0000    20.962  4.2415  ?       ?       ?              ?        
1 1 1 -24 -16 19 o 33.029  3.3809  147.658   25.683    132.660   29.499    194.645   52.212    30.457  3.6914  35.601  5.6654  -5.143679      6.761874 
1 1 1 -24 -16 20 o 31.742  3.7232  155.036   25.526    157.424   29.239    147.383   52.343    33.390  3.3131  30.095  6.6688  3.294956       7.446483 
1 1 1 -24 -16 21 o 21.809  3.7000  90.649    22.279    111.961   25.461    21.010    46.025    28.027  3.4656  15.591  6.5383  12.43587       7.399991 
1 1 1 -24 -16 22 o 29.082  3.8671  123.711   24.908    117.606   28.337    144.450   52.231    28.545  3.8007  29.619  6.7360  -1.073271      7.734278 
1 1 1 -24 -16 23 o 29.064  3.8203  115.452   24.305    103.395   27.299    161.553   53.382    26.647  3.9440  31.482  6.5440  -4.835882      7.640633 
1 1 1 -24 -16 24 o 16.481  4.8649  41.405    22.954    41.405    22.954    0.0000    0.0000    16.481  4.8649  ?       ?       ?              ?        
1 1 1 -24 -16 25 o 35.777  3.4010  182.081   32.200    182.081   32.200    0.0000    0.0000    35.777  3.4010  ?       ?       ?              ?        
1 1 1 -24 -16 26 o 22.555  4.2818  75.990    24.921    75.990    24.921    0.0000    0.0000    22.555  4.2818  ?       ?       ?              ?        
1 1 1 -24 -16 27 o 19.013  4.8046  55.890    24.478    55.890    24.478    0.0000    0.0000    19.013  4.8046  ?       ?       ?              ?        
1 1 1 -24 -16 28 o 16.290  5.0904  41.121    24.653    41.121    24.653    0.0000    0.0000    16.290  5.0904  ?       ?       ?              ?        
1 1 1 -24 -16 29 o 48.426  2.5973  339.239   32.956    339.877   43.281    338.360   50.841    48.795  3.3315  48.057  3.9857  0.7381668      5.194614 
1 1 1 -24 -16 30 o 19.847  3.6241  62.471    19.535    50.771    26.544    76.294    28.853    17.766  5.2280  21.929  5.0205  -4.163143      7.248287 
1 1 1 -24 -16 31 o 11.791  3.3767  13.635    16.610    9.1176    22.764    18.779    24.290    11.059  4.6150  12.523  4.9306  -1.464123      6.753442 
1 1 1 -24 -16 32 o 9.9546  4.4396  -2.4539   24.028    0.0000    0.0000    -2.4539   24.028    ?       ?       9.9546  4.4396  ?              ?        
1 1 1 -24 -15 1  o 28.177  2.3079  112.238   17.078    118.847   24.553    106.043   23.771    29.011  3.2137  27.343  3.3134  1.668550       4.615881 
1 1 1 -24 -15 2  o 32.960  2.2014  152.597   19.139    165.896   27.126    139.415   27.007    34.471  2.9669  31.450  3.2530  3.021147       4.402796 
1 1 1 -24 -15 3  o 31.751  2.2399  141.934   18.684    157.336   26.408    126.497   26.438    33.584  2.9662  29.918  3.3571  3.666328       4.479835 
1 1 1 -24 -15 4  o 49.755  2.0848  344.279   27.540    379.568   39.000    309.176   38.896    52.403  2.7886  47.107  3.1000  5.296101       4.169689 
1 1 1 -24 -15 5  o 51.680  2.0731  370.044   28.573    371.531   40.071    368.507   40.754    51.804  2.8995  51.555  2.9637  0.2495956      4.146167 
1 1 1 -24 -15 6  o 39.665  2.0855  218.281   21.994    212.968   30.954    223.699   31.256    39.164  2.9730  40.166  2.9254  -1.001770      4.170918 
1 1 1 -24 -15 7  o 48.082  2.0870  320.307   26.719    335.186   37.680    305.259   37.894    49.253  2.8686  46.912  3.0320  2.341633       4.174006 
1 1 1 -24 -15 8  o 15.440  2.5547  29.847    12.216    66.694    18.817    2.9997    16.061    21.683  3.3476  9.1976  3.8601  12.48587       5.109474 
1 1 1 -24 -15 9  f 8.9783  2.3901  3.9488    9.4711    -16.8134  15.030    17.624    12.198    6.6705  3.1587  11.286  3.5878  -4.615577      4.780173 
1 1 1 -24 -15 10 o 31.718  3.2291  140.646   27.051    140.646   27.051    0.0000    0.0000    31.718  3.2291  ?       ?       ?              ?        
1 1 1 -24 -15 11 o 37.048  3.0750  190.695   30.238    190.695   30.238    0.0000    0.0000    37.048  3.0750  ?       ?       ?              ?        
1 1 1 -24 -15 12 o 38.103  3.0986  201.750   31.350    201.750   31.350    0.0000    0.0000    38.103  3.0986  ?       ?       ?              ?        
1 1 1 -24 -15 13 o 37.893  3.1195  199.661   31.380    199.661   31.380    0.0000    0.0000    37.893  3.1195  ?       ?       ?              ?        
1 1 1 -24 -15 14 o 23.569  3.7455  69.143    20.231    55.046    22.883    119.596   43.290    19.279  4.5114  27.859  5.9803  -8.579521      7.491064 
1 1 1 -24 -15 15 o 47.948  3.0835  338.171   34.440    349.927   40.779    308.925   64.320    50.253  3.0440  45.643  5.3634  4.609818       6.167008 
1 1 1 -24 -15 16 o 54.835  2.1802  417.030   31.889    417.766   45.443    416.316   44.761    54.870  3.1048  54.800  3.0617  0.6953812E-01  4.360483 
1 1 1 -24 -15 17 o 44.196  2.1807  271.303   25.627    288.005   36.769    255.524   35.737    45.550  3.0310  42.841  3.1362  2.709660       4.361484 
1 1 1 -24 -15 18 o 17.892  3.0180  47.505    14.352    55.541    20.256    39.402    20.339    19.491  4.0136  16.292  4.5083  3.199303       6.036035 
1 1 1 -24 -15 19 o 36.220  3.1335  183.331   30.100    0.0000    0.0000    183.331   30.100    ?       ?       36.220  3.1335  ?              ?        
1 1 1 -24 -15 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -15 21 o 27.702  5.5623  118.312   39.838    118.312   39.838    0.0000    0.0000    27.702  5.5623  ?       ?       ?              ?        
1 1 1 -24 -15 22 o 25.813  2.6157  96.170    17.412    82.863    24.558    109.621   24.691    23.843  3.9861  27.783  3.3882  -3.939312      5.231495 
1 1 1 -24 -15 23 o 11.908  3.1406  13.485    14.469    -1.3306   20.074    29.504    20.874    9.5272  4.1605  14.289  4.7058  -4.761806      6.281276 
1 1 1 -24 -15 24 o 17.390  3.2222  46.585    15.432    55.222    20.739    35.871    23.098    19.274  4.1407  15.505  4.9380  3.769298       6.444379 
1 1 1 -24 -15 25 f 15.683  3.4088  40.316    19.469    59.748    21.834    -35.0624  43.003    20.016  4.2063  11.351  5.3654  8.665158       6.817657 
1 1 1 -24 -15 26 o 32.043  3.8885  152.404   26.936    146.744   30.502    172.454   57.409    31.962  3.6272  32.124  6.8794  -0.1623535     7.777050 
1 1 1 -24 -15 27 o 18.210  3.8916  57.662    21.352    68.688    23.954    15.022    47.108    21.393  4.3290  15.026  6.4683  6.366837       7.783227 
1 1 1 -24 -15 28 o 42.001  3.3474  250.721   37.345    250.721   37.345    0.0000    0.0000    42.001  3.3474  ?       ?       ?              ?        
1 1 1 -24 -15 29 o 21.638  4.7818  72.297    26.976    72.297    26.976    0.0000    0.0000    21.638  4.7818  ?       ?       ?              ?        
1 1 1 -24 -15 30 o 25.404  4.3712  97.450    28.671    97.450    28.671    0.0000    0.0000    25.404  4.3712  ?       ?       ?              ?        
1 1 1 -24 -15 31 o 23.483  3.4653  86.181    20.938    83.366    27.764    89.892    31.884    23.213  4.6278  23.753  5.1591  -0.5401764     6.930575 
1 1 1 -24 -15 32 o 28.591  3.0800  125.409   22.514    103.362   31.794    147.583   31.885    25.650  4.8043  31.532  3.8556  -5.881575      6.160094 
1 1 1 -24 -15 33 o 13.646  5.1382  26.858    25.552    0.0000    0.0000    26.858    25.552    ?       ?       13.646  5.1382  ?              ?        
1 1 1 -24 -14 1  o 37.056  2.1170  191.313   20.811    181.872   29.397    200.798   29.466    36.097  3.0695  38.014  2.9162  -1.916489      4.233941 
1 1 1 -24 -14 2  o 52.666  2.0823  384.315   29.241    396.220   41.215    372.249   41.491    53.524  2.8855  51.808  3.0029  1.716728       4.164556 
1 1 1 -24 -14 3  o 18.857  2.7134  51.944    13.280    69.880    19.153    35.339    18.428    22.209  3.3218  15.506  4.2914  6.702722       5.426876 
1 1 1 -24 -14 4  o 67.222  2.1371  623.486   38.479    626.738   54.439    620.239   54.397    67.402  3.0154  67.042  3.0293  0.3594055      4.274256 
1 1 1 -24 -14 5  o 19.908  2.6959  59.541    13.680    36.971    19.805    80.133    18.917    15.872  4.4689  23.944  3.0167  -8.071049      5.391774 
1 1 1 -24 -14 6  o 43.452  2.0542  260.533   23.770    262.168   33.648    258.904   33.584    43.591  2.8983  43.312  2.9118  0.2792854      4.108418 
1 1 1 -24 -14 7  o 35.304  2.3560  173.082   21.605    169.700   27.916    178.132   34.116    35.003  3.0068  35.606  3.6279  -0.6033249     4.711939 
1 1 1 -24 -14 8  o 33.046  3.0165  151.329   26.405    151.329   26.405    0.0000    0.0000    33.046  3.0165  ?       ?       ?              ?        
1 1 1 -24 -14 9  o 10.740  4.0731  12.219    16.127    12.219    16.127    0.0000    0.0000    10.740  4.0731  ?       ?       ?              ?        
1 1 1 -24 -14 10 o 11.643  4.1589  16.813    16.399    16.813    16.399    0.0000    0.0000    11.643  4.1589  ?       ?       ?              ?        
1 1 1 -24 -14 11 o 43.125  2.9750  258.288   29.957    252.004   34.918    275.807   58.305    42.699  3.0737  43.551  5.0946  -0.8521385     5.949996 
1 1 1 -24 -14 12 o 22.940  2.4892  74.282    14.778    77.661    21.721    71.369    20.166    23.414  3.5769  22.465  3.4626  0.9491386      4.978347 
1 1 1 -24 -14 13 o 27.863  2.3644  108.956   17.240    104.203   24.910    113.325   23.884    27.215  3.4983  28.512  3.1818  -1.296486      4.728805 
1 1 1 -24 -14 14 o 25.586  3.3040  91.820    22.113    0.0000    0.0000    91.820    22.113    ?       ?       25.586  3.3040  ?              ?        
1 1 1 -24 -14 15 o 35.885  3.0541  178.434   29.076    0.0000    0.0000    178.434   29.076    ?       ?       35.885  3.0541  ?              ?        
1 1 1 -24 -14 16 o 44.633  2.9841  275.175   35.469    0.0000    0.0000    275.175   35.469    ?       ?       44.633  2.9841  ?              ?        
1 1 1 -24 -14 17 o 26.136  3.4747  96.399    23.721    0.0000    0.0000    96.399    23.721    ?       ?       26.136  3.4747  ?              ?        
1 1 1 -24 -14 18 o 51.872  2.9923  371.939   41.398    0.0000    0.0000    371.939   41.398    ?       ?       51.872  2.9923  ?              ?        
1 1 1 -24 -14 19 o 46.542  3.0137  300.106   37.367    0.0000    0.0000    300.106   37.367    ?       ?       46.542  3.0137  ?              ?        
1 1 1 -24 -14 20 o 37.647  3.1468  197.624   31.440    0.0000    0.0000    197.624   31.440    ?       ?       37.647  3.1468  ?              ?        
1 1 1 -24 -14 21 f 11.349  4.2717  14.606    17.658    0.0000    0.0000    14.606    17.658    ?       ?       11.349  4.2717  ?              ?        
1 1 1 -24 -14 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -14 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -14 24 o 23.658  3.9326  81.512    24.045    0.0000    0.0000    81.512    24.045    ?       ?       23.658  3.9326  ?              ?        
1 1 1 -24 -14 25 o 48.082  3.1717  324.464   40.618    0.0000    0.0000    324.464   40.618    ?       ?       48.082  3.1717  ?              ?        
1 1 1 -24 -14 26 o 15.357  3.9155  32.312    18.859    33.682    37.627    31.852    21.794    15.997  6.1825  14.718  4.8065  1.279221       7.831062 
1 1 1 -24 -14 27 o 36.000  2.4125  184.411   22.981    183.583   32.208    185.270   32.801    35.933  3.3864  36.067  3.4369  -0.1348000     4.824950 
1 1 1 -24 -14 28 o 12.718  3.8355  2.3516    17.737    -4.2413   19.453    34.847    43.188    9.0161  4.0096  16.421  6.5397  -7.404682      7.671033 
1 1 1 -24 -14 29 o 21.948  4.4564  70.668    23.113    64.287    25.613    98.648    53.637    20.428  4.7681  23.467  7.5302  -3.039637      8.912861 
1 1 1 -24 -14 30 o 40.948  3.4526  240.035   37.515    240.035   37.515    0.0000    0.0000    40.948  3.4526  ?       ?       ?              ?        
1 1 1 -24 -14 31 o 45.373  3.4328  295.354   41.411    295.354   41.411    0.0000    0.0000    45.373  3.4328  ?       ?       ?              ?        
1 1 1 -24 -14 32 f 16.800  3.6960  45.691    19.588    60.856    26.020    25.859    29.757    19.546  4.9615  14.054  5.4795  5.491600       7.391996 
1 1 1 -24 -14 33 o 21.730  3.6943  75.244    21.485    54.940    28.518    101.898   32.675    18.193  5.4351  25.267  5.0050  -7.074623      7.388516 
1 1 1 -24 -14 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -13 1  f 18.405  2.6611  48.806    12.655    52.688    18.603    45.461    17.267    19.096  3.7708  17.713  3.7559  1.383070       5.322185 
1 1 1 -24 -13 2  o 9.4149  2.5162  5.6819    9.9618    -10.3468  15.039    18.214    13.298    7.2865  3.3519  11.543  3.7538  -4.256841      5.032465 
1 1 1 -24 -13 3  o 33.805  2.0838  158.614   18.599    172.005   26.105    144.809   26.506    35.328  2.7813  32.283  3.1036  3.044521       4.167501 
1 1 1 -24 -13 4  o 17.208  2.6909  44.036    12.296    27.699    17.811    58.914    16.997    13.968  4.3205  20.448  3.2090  -6.479648      5.381891 
1 1 1 -24 -13 5  o 11.088  2.7954  14.859    10.580    18.798    14.991    10.949    14.935    11.879  3.9903  10.296  3.9160  1.583213       5.590831 
1 1 1 -24 -13 6  o 53.483  2.9024  392.917   41.422    392.917   41.422    0.0000    0.0000    53.483  2.9024  ?       ?       ?              ?        
1 1 1 -24 -13 7  o 91.599  3.4180  1158.52   83.860    1158.52   83.860    0.0000    0.0000    91.599  3.4180  ?       ?       ?              ?        
1 1 1 -24 -13 8  o 27.865  3.1589  107.933   23.160    107.933   23.160    0.0000    0.0000    27.865  3.1589  ?       ?       ?              ?        
1 1 1 -24 -13 9  o 20.663  2.6315  62.227    13.777    41.742    19.481    82.720    19.485    16.939  4.2894  24.387  3.0496  -7.448456      5.262962 
1 1 1 -24 -13 10 o 34.364  2.1452  163.006   19.521    163.556   28.284    162.506   26.976    34.396  3.1035  34.333  2.9624  0.6385040E-01  4.290388 
1 1 1 -24 -13 11 o 37.671  2.9011  195.200   29.047    0.0000    0.0000    195.200   29.047    ?       ?       37.671  2.9011  ?              ?        
1 1 1 -24 -13 12 o 59.881  2.9678  491.040   47.600    0.0000    0.0000    491.040   47.600    ?       ?       59.881  2.9678  ?              ?        
1 1 1 -24 -13 13 o 11.816  4.0500  18.157    15.447    0.0000    0.0000    18.157    15.447    ?       ?       11.816  4.0500  ?              ?        
1 1 1 -24 -13 14 o 55.123  2.9434  417.257   43.301    0.0000    0.0000    417.257   43.301    ?       ?       55.123  2.9434  ?              ?        
1 1 1 -24 -13 15 o 42.511  2.9303  248.662   33.162    0.0000    0.0000    248.662   33.162    ?       ?       42.511  2.9303  ?              ?        
1 1 1 -24 -13 16 o 27.683  3.1729  106.707   23.102    0.0000    0.0000    106.707   23.102    ?       ?       27.683  3.1729  ?              ?        
1 1 1 -24 -13 17 f 21.846  3.6382  67.859    20.540    0.0000    0.0000    67.859    20.540    ?       ?       21.846  3.6382  ?              ?        
1 1 1 -24 -13 18 o 30.948  3.1539  133.232   25.779    0.0000    0.0000    133.232   25.779    ?       ?       30.948  3.1539  ?              ?        
1 1 1 -24 -13 19 o 36.577  3.1098  185.637   30.178    0.0000    0.0000    185.637   30.178    ?       ?       36.577  3.1098  ?              ?        
1 1 1 -24 -13 20 o 35.309  3.0659  173.119   28.707    0.0000    0.0000    173.119   28.707    ?       ?       35.309  3.0659  ?              ?        
1 1 1 -24 -13 21 o 38.743  3.1402  208.862   32.307    0.0000    0.0000    208.862   32.307    ?       ?       38.743  3.1402  ?              ?        
1 1 1 -24 -13 22 o 5.2826  2.6267  -35.1503  14.512    0.0000    0.0000    -35.1503  14.512    ?       ?       5.2826  2.6267  ?              ?        
1 1 1 -24 -13 23 f 46.350  3.0164  298.607   37.243    0.0000    0.0000    298.607   37.243    ?       ?       46.350  3.0164  ?              ?        
1 1 1 -24 -13 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -13 25 o 22.539  4.1319  74.681    24.026    0.0000    0.0000    74.681    24.026    ?       ?       22.539  4.1319  ?              ?        
1 1 1 -24 -13 26 o 26.154  3.7775  98.904    25.696    0.0000    0.0000    98.904    25.696    ?       ?       26.154  3.7775  ?              ?        
1 1 1 -24 -13 27 o 23.512  4.2057  81.841    25.514    0.0000    0.0000    81.841    25.514    ?       ?       23.512  4.2057  ?              ?        
1 1 1 -24 -13 28 o 16.862  4.8104  43.585    22.793    0.0000    0.0000    43.585    22.793    ?       ?       16.862  4.8104  ?              ?        
1 1 1 -24 -13 29 o 8.1106  2.8132  -24.5270  14.850    -18.1163  16.082    -61.6148  38.682    6.8197  3.2405  9.4015  4.5996  -2.581807      5.626418 
1 1 1 -24 -13 30 o 29.195  4.3055  135.141   26.956    132.982   30.175    143.674   59.983    30.230  3.8114  28.159  7.7215  2.070587       8.610974 
1 1 1 -24 -13 31 o 20.354  5.0382  65.182    27.320    65.182    27.320    0.0000    0.0000    20.354  5.0382  ?       ?       ?              ?        
1 1 1 -24 -13 32 o 50.311  3.4602  363.767   46.345    363.767   46.345    0.0000    0.0000    50.311  3.4602  ?       ?       ?              ?        
1 1 1 -24 -13 33 o 11.738  4.7997  12.911    23.956    12.911    23.956    0.0000    0.0000    11.738  4.7997  ?       ?       ?              ?        
1 1 1 -24 -13 34 o 14.365  3.7212  30.799    18.935    37.475    26.416    23.744    27.157    15.340  5.2942  13.390  5.2307  1.950500       7.442363 
1 1 1 -24 -13 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -12 1  o 17.935  2.5130  45.890    11.628    49.280    17.057    42.946    15.893    18.564  3.5599  17.305  3.5478  1.258642       5.025905 
1 1 1 -24 -12 2  o 33.639  2.0851  156.182   18.583    148.605   25.989    164.110   26.582    32.784  2.9926  34.495  2.9041  -1.710590      4.170102 
1 1 1 -24 -12 3  o 54.590  2.3648  415.220   33.025    423.637   41.593    400.860   54.326    55.605  2.8017  53.576  3.8106  2.029259       4.729651 
1 1 1 -24 -12 4  o 18.313  3.6996  47.998    17.522    47.998    17.522    0.0000    0.0000    18.313  3.6996  ?       ?       ?              ?        
1 1 1 -24 -12 5  o 32.954  2.8821  149.460   25.184    149.460   25.184    0.0000    0.0000    32.954  2.8821  ?       ?       ?              ?        
1 1 1 -24 -12 6  o 59.238  2.8890  479.332   45.839    479.332   45.839    0.0000    0.0000    59.238  2.8890  ?       ?       ?              ?        
1 1 1 -24 -12 7  o 13.438  2.8123  24.826    10.834    31.250    16.550    20.009    14.331    14.756  4.0599  12.119  3.8928  2.637443       5.624662 
1 1 1 -24 -12 8  o 34.476  2.8377  168.156   22.861    164.039   42.909    169.788   27.014    33.795  4.8819  35.157  2.8944  -1.361794      5.675411 
1 1 1 -24 -12 9  o 66.231  2.9804  599.343   52.871    0.0000    0.0000    599.343   52.871    ?       ?       66.231  2.9804  ?              ?        
1 1 1 -24 -12 10 o 22.103  3.2274  68.266    18.544    0.0000    0.0000    68.266    18.544    ?       ?       22.103  3.2274  ?              ?        
1 1 1 -24 -12 11 o 26.902  2.9922  100.022   21.195    0.0000    0.0000    100.022   21.195    ?       ?       26.902  2.9922  ?              ?        
1 1 1 -24 -12 12 o 15.173  3.8214  33.064    15.522    0.0000    0.0000    33.064    15.522    ?       ?       15.173  3.8214  ?              ?        
1 1 1 -24 -12 13 o 35.594  2.8799  173.973   27.221    0.0000    0.0000    173.973   27.221    ?       ?       35.594  2.8799  ?              ?        
1 1 1 -24 -12 14 o 58.802  2.9371  472.429   46.259    0.0000    0.0000    472.429   46.259    ?       ?       58.802  2.9371  ?              ?        
1 1 1 -24 -12 15 o 9.7044  2.6447  6.2306    10.743    -8.5005   16.429    17.233    14.199    7.9272  3.5914  11.482  3.8832  -3.554493      5.289408 
1 1 1 -24 -12 16 o 72.592  2.2130  722.909   43.019    711.965   61.166    733.623   60.516    72.026  3.1705  73.159  3.0883  -1.132576      4.426013 
1 1 1 -24 -12 17 o 19.406  2.7394  55.482    13.684    38.923    19.812    70.592    18.924    16.364  4.4172  22.449  3.2412  -6.084616      5.478756 
1 1 1 -24 -12 18 o 41.066  2.0958  232.594   22.852    219.148   32.572    245.627   32.068    39.847  3.0757  42.286  2.8479  -2.438679      4.191689 
1 1 1 -24 -12 19 o 53.892  2.1093  400.043   30.252    362.129   42.808    437.868   42.758    51.222  3.1353  56.562  2.8223  -5.339970      4.218507 
1 1 1 -24 -12 20 o 33.325  2.2445  154.406   19.777    150.494   28.230    158.177   27.716    32.879  3.2481  33.771  3.0986  -0.8923759     4.489019 
1 1 1 -24 -12 21 o 12.290  3.0547  18.483    12.903    27.187    18.184    9.6560    18.312    13.863  4.3778  10.716  4.2613  3.147188       6.109325 
1 1 1 -24 -12 22 o 28.804  2.4617  118.101   18.269    97.012    26.047    138.518   25.629    26.060  3.8474  31.548  3.0720  -5.487865      4.923364 
1 1 1 -24 -12 23 o 41.646  2.6423  246.804   27.322    239.313   47.010    250.626   33.575    40.765  4.3737  42.527  2.9661  -1.761425      5.284637 
1 1 1 -24 -12 24 o 17.280  4.3418  44.321    20.071    0.0000    0.0000    44.321    20.071    ?       ?       17.280  4.3418  ?              ?        
1 1 1 -24 -12 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -12 26 o 37.012  6.3850  217.721   61.011    0.0000    0.0000    217.721   61.011    ?       ?       37.012  6.3850  ?              ?        
1 1 1 -24 -12 27 o 7.8063  3.6312  -14.2826  18.389    0.0000    0.0000    -14.2826  18.389    ?       ?       7.8063  3.6312  ?              ?        
1 1 1 -24 -12 28 o 20.070  4.5828  61.131    24.095    0.0000    0.0000    61.131    24.095    ?       ?       20.070  4.5828  ?              ?        
1 1 1 -24 -12 29 o 19.692  4.9175  60.014    25.860    0.0000    0.0000    60.014    25.860    ?       ?       19.692  4.9175  ?              ?        
1 1 1 -24 -12 30 o 31.226  2.7226  142.081   22.168    127.534   31.241    156.834   31.462    29.455  4.0684  32.997  3.6192  -3.541805      5.445277 
1 1 1 -24 -12 31 o 14.236  4.0261  24.511    20.862    29.343    23.007    2.1661    49.473    14.231  4.9391  14.241  6.3595  -0.1061153E-01 8.052210 
1 1 1 -24 -12 32 o 15.518  5.1682  36.913    25.151    36.913    25.151    0.0000    0.0000    15.518  5.1682  ?       ?       ?              ?        
1 1 1 -24 -12 33 o 22.200  5.2814  79.398    30.948    79.398    30.948    0.0000    0.0000    22.200  5.2814  ?       ?       ?              ?        
1 1 1 -24 -12 34 o 37.557  2.4584  203.272   23.258    211.741   39.547    198.794   28.757    37.699  3.9765  37.415  2.8920  0.2844009      4.916890 
1 1 1 -24 -12 35 o 19.987  3.7604  60.467    19.392    0.0000    0.0000    60.467    19.392    ?       ?       19.987  3.7604  ?              ?        
1 1 1 -24 -11 1  o 16.279  2.6881  38.257    11.504    36.388    16.696    39.946    15.872    15.871  3.9448  16.686  3.6526  -0.8155994     5.376143 
1 1 1 -24 -11 2  o 46.112  2.2571  295.606   26.561    302.749   33.450    283.415   43.698    47.072  2.6639  45.151  3.6443  1.921432       4.514174 
1 1 1 -24 -11 3  o 12.171  3.8641  20.300    14.152    20.300    14.152    0.0000    0.0000    12.171  3.8641  ?       ?       ?              ?        
1 1 1 -24 -11 4  o 32.182  2.7938  142.126   23.843    142.126   23.843    0.0000    0.0000    32.182  2.7938  ?       ?       ?              ?        
1 1 1 -24 -11 5  o 19.536  3.5816  48.302    15.454    43.826    17.020    69.312    36.879    17.513  3.7421  21.559  6.1081  -4.046658      7.163216 
1 1 1 -24 -11 6  o 60.973  2.0569  507.757   33.493    479.687   47.356    535.850   47.376    59.217  2.9954  62.730  2.8197  -3.512222      4.113758 
1 1 1 -24 -11 7  o 28.897  2.9278  114.918   22.348    0.0000    0.0000    114.918   22.348    ?       ?       28.897  2.9278  ?              ?        
1 1 1 -24 -11 8  o 7.4383  3.1553  0.5414    10.918    0.0000    0.0000    0.5414    10.918    ?       ?       7.4383  3.1553  ?              ?        
1 1 1 -24 -11 9  o 42.863  2.7979  250.959   31.945    0.0000    0.0000    250.959   31.945    ?       ?       42.863  2.7979  ?              ?        
1 1 1 -24 -11 10 o 26.043  3.0556  93.735    20.910    0.0000    0.0000    93.735    20.910    ?       ?       26.043  3.0556  ?              ?        
1 1 1 -24 -11 11 o 24.163  3.1773  81.066    20.065    0.0000    0.0000    81.066    20.065    ?       ?       24.163  3.1773  ?              ?        
1 1 1 -24 -11 12 o 20.312  2.5152  58.162    13.136    58.652    19.485    57.754    17.786    20.350  3.7116  20.274  3.3953  0.7601166E-01  5.030334 
1 1 1 -24 -11 13 f 39.239  2.0659  210.914   21.544    211.827   31.034    210.066   29.931    39.307  2.9695  39.172  2.8728  0.1357040      4.131718 
1 1 1 -24 -11 14 o 25.886  2.2698  93.799    15.228    83.331    22.160    103.164   20.961    24.406  3.4893  27.367  2.9039  -2.960812      4.539562 
1 1 1 -24 -11 15 o 29.438  2.1872  120.850   16.741    101.614   23.967    139.178   23.395    27.017  3.3863  31.860  2.7691  -4.842220      4.374385 
1 1 1 -24 -11 16 o 51.098  2.0390  357.630   27.752    337.907   39.391    377.066   39.103    49.659  2.9752  52.537  2.7888  -2.878498      4.077910 
1 1 1 -24 -11 17 o 32.780  2.1565  148.159   18.707    153.945   26.621    142.514   26.295    33.431  3.0050  32.129  3.0938  1.301449       4.312968 
1 1 1 -24 -11 18 o 70.227  2.1803  675.923   40.979    644.792   57.910    707.148   57.997    68.571  3.1530  71.884  3.0122  -3.312561      4.360605 
1 1 1 -24 -11 19 o 21.619  2.6212  66.398    14.624    63.030    20.585    69.830    20.778    21.025  3.7950  22.213  3.6167  -1.187820      5.242373 
1 1 1 -24 -11 20 o 30.134  2.2215  126.061   17.659    122.302   24.998    129.805   24.949    29.662  3.1969  30.605  3.0856  -0.9427261     4.443074 
1 1 1 -24 -11 21 o 40.337  2.1088  224.984   22.548    207.030   32.061    242.556   31.718    38.677  3.1214  41.997  2.8363  -3.319878      4.217530 
1 1 1 -24 -11 22 o 58.024  2.1618  464.748   33.468    452.099   47.394    477.330   47.268    57.208  3.1046  58.841  3.0092  -1.632740      4.323628 
1 1 1 -24 -11 23 o 50.239  2.1187  349.710   28.283    321.228   40.272    377.427   39.728    48.132  3.1410  52.346  2.8442  -4.213261      4.237390 
1 1 1 -24 -11 24 o 41.023  2.1687  233.799   23.626    219.533   33.205    248.426   33.623    39.710  3.1477  42.335  2.9843  -2.625450      4.337482 
1 1 1 -24 -11 25 o 24.512  3.0535  84.814    18.942    105.130   30.761    72.405    24.040    26.783  4.4437  22.242  4.1890  4.540621       6.106923 
1 1 1 -24 -11 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -11 27 o 30.752  3.5588  134.889   28.772    0.0000    0.0000    134.889   28.772    ?       ?       30.752  3.5588  ?              ?        
1 1 1 -24 -11 28 o 26.850  3.8762  104.695   27.069    0.0000    0.0000    104.695   27.069    ?       ?       26.850  3.8762  ?              ?        
1 1 1 -24 -11 29 f 11.241  4.6166  9.4943    22.285    0.0000    0.0000    9.4943    22.285    ?       ?       11.241  4.6166  ?              ?        
1 1 1 -24 -11 30 o 24.790  4.2649  91.524    27.298    0.0000    0.0000    91.524    27.298    ?       ?       24.790  4.2649  ?              ?        
1 1 1 -24 -11 31 o 19.731  4.5732  57.461    23.733    52.066    26.447    79.774    53.784    18.190  5.1791  21.272  7.5389  -3.081240      9.146454 
1 1 1 -24 -11 32 o 10.296  4.3736  4.3888    21.025    4.3888    21.025    0.0000    0.0000    10.296  4.3736  ?       ?       ?              ?        
1 1 1 -24 -11 33 o 53.332  3.6089  411.009   51.249    411.009   51.249    0.0000    0.0000    53.332  3.6089  ?       ?       ?              ?        
1 1 1 -24 -11 34 o 10.035  4.5319  -6.4822   25.919    -6.4822   25.919    0.0000    0.0000    10.035  4.5319  ?       ?       ?              ?        
1 1 1 -24 -11 35 o 14.238  3.1672  32.480    13.316    22.876    25.036    36.268    15.724    13.078  5.0463  15.398  3.8286  -2.320343      6.334306 
1 1 1 -24 -11 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -10 1  o 30.233  3.6552  127.714   28.998    127.714   28.998    0.0000    0.0000    30.233  3.6552  ?       ?       ?              ?        
1 1 1 -24 -10 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -10 4  o 34.241  3.4763  162.316   31.441    0.0000    0.0000    162.316   31.441    ?       ?       34.241  3.4763  ?              ?        
1 1 1 -24 -10 5  o 74.976  4.1348  779.854   82.714    0.0000    0.0000    779.854   82.714    ?       ?       74.976  4.1348  ?              ?        
1 1 1 -24 -10 6  o 12.042  3.0695  20.518    9.9300    0.0000    0.0000    20.518    9.9300    ?       ?       12.042  3.0695  ?              ?        
1 1 1 -24 -10 7  o 17.897  3.2034  44.965    14.792    0.0000    0.0000    44.965    14.792    ?       ?       17.897  3.2034  ?              ?        
1 1 1 -24 -10 8  o 28.592  3.5824  113.682   26.834    0.0000    0.0000    113.682   26.834    ?       ?       28.592  3.5824  ?              ?        
1 1 1 -24 -10 9  o 16.975  4.0770  41.295    18.304    0.0000    0.0000    41.295    18.304    ?       ?       16.975  4.0770  ?              ?        
1 1 1 -24 -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -10 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -10 12 o 32.741  4.0329  149.886   34.619    149.886   34.619    0.0000    0.0000    32.741  4.0329  ?       ?       ?              ?        
1 1 1 -24 -10 13 o 13.680  2.7065  25.270    10.653    37.315    15.984    15.645    14.289    16.166  3.7621  11.193  3.8920  4.973612       5.412981 
1 1 1 -24 -10 14 o 30.363  2.1074  126.823   16.895    123.856   24.311    129.594   23.496    29.993  3.0695  30.733  2.8882  -0.7404060     4.214708 
1 1 1 -24 -10 15 o 20.500  2.4629  59.152    13.031    57.019    18.566    61.222    18.293    20.101  3.5796  20.898  3.3837  -0.7963924     4.925727 
1 1 1 -24 -10 16 o 58.087  2.0741  460.452   32.205    452.274   45.703    468.517   45.387    57.523  2.9765  58.650  2.8892  -1.127514      4.148140 
1 1 1 -24 -10 17 o 54.403  2.0536  404.639   29.805    394.883   42.278    414.279   42.025    53.732  2.9489  55.074  2.8587  -1.341785      4.107115 
1 1 1 -24 -10 18 o 27.194  2.3132  103.889   16.075    79.660    22.615    128.637   22.855    23.786  3.6676  30.601  2.8201  -6.815706      4.626461 
1 1 1 -24 -10 19 o 22.557  2.4692  71.584    14.432    70.453    20.562    72.682    20.260    22.360  3.5521  22.755  3.4307  -0.3948860     4.938348 
1 1 1 -24 -10 20 o 22.347  2.4534  70.255    14.187    71.413    20.705    69.230    19.478    22.498  3.5539  22.196  3.3833  0.3022003      4.906847 
1 1 1 -24 -10 21 o 57.905  2.0947  460.417   32.379    459.518   45.952    461.303   45.630    57.843  2.9761  57.968  2.9485  -0.1257668     4.189364 
1 1 1 -24 -10 22 o 54.948  2.1148  415.763   30.982    398.760   43.931    432.586   43.699    53.792  3.0617  56.105  2.9180  -2.313370      4.229533 
1 1 1 -24 -10 23 o 29.477  2.3745  121.533   18.382    130.515   26.384    113.061   25.624    30.578  3.2721  28.376  3.4419  2.202587       4.748985 
1 1 1 -24 -10 24 o 27.034  2.5884  104.436   18.040    89.614    25.812    118.588   25.222    24.977  3.9928  29.091  3.2950  -4.114319      5.176816 
1 1 1 -24 -10 25 o 30.319  2.4103  129.334   19.222    135.350   27.569    123.642   26.816    31.028  3.3715  29.610  3.4455  1.417522       4.820603 
1 1 1 -24 -10 26 o 32.301  2.4835  148.176   21.027    136.130   30.203    159.504   29.290    30.904  3.7237  33.697  3.2871  -2.792370      4.967005 
1 1 1 -24 -10 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -10 28 o 12.077  4.6940  15.749    21.785    0.0000    0.0000    15.749    21.785    ?       ?       12.077  4.6940  ?              ?        
1 1 1 -24 -10 29 o 9.8254  4.3040  -1.4647   21.631    0.0000    0.0000    -1.4647   21.631    ?       ?       9.8254  4.3040  ?              ?        
1 1 1 -24 -10 30 o 12.438  3.8843  22.371    14.357    0.0000    0.0000    22.371    14.357    ?       ?       12.438  3.8843  ?              ?        
1 1 1 -24 -10 31 o 36.453  2.7669  189.154   23.028    201.801   45.834    184.883   26.633    36.537  4.7995  36.369  2.7545  0.1689224      5.533710 
1 1 1 -24 -10 32 o 37.452  2.6843  203.471   26.520    207.624   38.653    199.777   36.452    37.754  3.8775  37.151  3.7129  0.6031761      5.368505 
1 1 1 -24 -10 33 o 31.551  4.3039  148.965   35.423    148.965   35.423    0.0000    0.0000    31.551  4.3039  ?       ?       ?              ?        
1 1 1 -24 -10 34 o 28.864  4.8095  129.289   35.875    129.289   35.875    0.0000    0.0000    28.864  4.8095  ?       ?       ?              ?        
1 1 1 -24 -10 35 o 32.833  2.8173  163.365   22.446    153.938   38.680    168.151   27.561    31.395  4.7481  34.271  3.0338  -2.876141      5.634537 
1 1 1 -24 -10 36 o 23.236  3.6223  80.867    21.809    0.0000    0.0000    80.867    21.809    ?       ?       23.236  3.6223  ?              ?        
1 1 1 -24 -9  1  o 56.730  2.6764  437.180   40.668    437.180   40.668    0.0000    0.0000    56.730  2.6764  ?       ?       ?              ?        
1 1 1 -24 -9  2  o 11.099  3.0399  12.786    10.979    15.517    11.951    -1.9700   27.783    10.838  3.5603  11.360  4.9284  -0.5221081     6.079885 
1 1 1 -24 -9  3  o 34.539  1.9172  162.875   17.590    158.196   24.750    167.651   25.003    34.028  2.7387  35.049  2.6837  -1.021477      3.834443 
1 1 1 -24 -9  4  o 55.083  2.7514  411.873   40.593    0.0000    0.0000    411.873   40.593    ?       ?       55.083  2.7514  ?              ?        
1 1 1 -24 -9  5  o 33.782  2.7414  155.830   24.592    0.0000    0.0000    155.830   24.592    ?       ?       33.782  2.7414  ?              ?        
1 1 1 -24 -9  6  o 7.3518  3.0197  2.4741    9.5365    0.0000    0.0000    2.4741    9.5365    ?       ?       7.3518  3.0197  ?              ?        
1 1 1 -24 -9  7  o 14.742  3.5407  30.885    13.805    0.0000    0.0000    30.885    13.805    ?       ?       14.742  3.5407  ?              ?        
1 1 1 -24 -9  8  o 30.371  2.0035  125.985   16.092    133.441   23.343    119.233   22.213    31.235  2.8206  29.506  2.8460  1.728657       4.006957 
1 1 1 -24 -9  9  o 55.256  2.0073  415.448   29.609    403.633   42.581    426.509   41.201    54.432  2.9314  56.080  2.7429  -1.648060      4.014529 
1 1 1 -24 -9  10 o 19.294  2.4251  52.049    12.051    57.509    17.640    47.270    16.503    20.276  3.3661  18.312  3.4920  1.963886       4.850269 
1 1 1 -24 -9  11 o 48.532  1.9764  320.975   25.550    311.010   36.680    330.366   35.609    47.773  2.8800  49.291  2.7075  -1.517708      3.952833 
1 1 1 -24 -9  12 o 65.529  2.0943  583.453   36.749    603.078   52.524    564.634   51.435    66.614  2.9437  64.444  2.9798  2.169716       4.188659 
1 1 1 -24 -9  13 o 36.370  2.4575  174.864   22.058    203.452   40.194    162.544   26.386    38.265  3.9799  34.475  2.8840  3.789894       4.915019 
1 1 1 -24 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -9  15 o 39.741  3.9571  219.492   41.562    219.492   41.562    0.0000    0.0000    39.741  3.9571  ?       ?       ?              ?        
1 1 1 -24 -9  16 o 15.585  2.5960  35.204    11.157    18.839    15.932    50.953    15.629    12.084  4.1132  19.086  3.1682  -7.002236      5.191971 
1 1 1 -24 -9  17 o 60.853  2.0605  504.186   33.586    504.940   47.470    503.430   47.525    60.900  2.9101  60.806  2.9180  0.9381485E-01  4.121095 
1 1 1 -24 -9  18 o 26.288  2.2104  95.752    15.214    88.205    21.465    103.372   21.568    25.196  3.2567  27.380  2.9896  -2.183235      4.420836 
1 1 1 -24 -9  19 o 33.860  2.0662  157.515   18.547    155.451   26.517    159.491   25.950    33.626  2.9748  34.094  2.8683  -0.4678841     4.132367 
1 1 1 -24 -9  20 o 8.5478  2.5780  0.3930    10.408    1.3063    14.889    -0.4797   14.554    8.7224  3.6915  8.3731  3.5996  0.3493767      5.156021 
1 1 1 -24 -9  21 o 26.839  2.3732  100.894   16.290    126.640   23.560    77.313    22.548    30.301  2.9398  23.376  3.7263  6.925224       4.746329 
1 1 1 -24 -9  22 o 7.5602  2.4241  -7.9554   10.615    -8.4807   14.857    -7.4076   15.171    7.4532  3.3916  7.6673  3.4644  -0.2140846     4.848239 
1 1 1 -24 -9  23 o 20.536  2.8729  60.956    15.238    57.952    21.688    63.885    21.415    19.984  4.1860  21.088  3.9360  -1.104572      5.745865 
1 1 1 -24 -9  24 o 44.692  2.1405  275.966   25.449    291.347   36.289    261.080   35.699    45.950  2.9643  43.434  3.0887  2.516827       4.281022 
1 1 1 -24 -9  25 o 25.554  2.6741  93.713    17.438    114.423   24.963    73.973    24.371    28.548  3.3270  22.560  4.1873  5.988194       5.348175 
1 1 1 -24 -9  26 o 22.141  3.0316  73.379    17.298    108.177   24.934    41.086    24.019    27.662  3.4395  16.619  4.9933  11.04277       6.063236 
1 1 1 -24 -9  27 o 17.499  3.6276  44.722    17.921    57.085    28.378    36.522    23.112    19.278  5.3214  15.720  4.9314  3.557870       7.255118 
1 1 1 -24 -9  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -9  29 o 15.925  3.7881  37.475    15.923    0.0000    0.0000    37.475    15.923    ?       ?       15.925  3.7881  ?              ?        
1 1 1 -24 -9  30 f 21.876  3.1007  68.159    17.660    0.0000    0.0000    68.159    17.660    ?       ?       21.876  3.1007  ?              ?        
1 1 1 -24 -9  31 o 14.313  3.8142  30.477    14.887    0.0000    0.0000    30.477    14.887    ?       ?       14.313  3.8142  ?              ?        
1 1 1 -24 -9  32 o 34.584  2.6689  184.230   21.891    140.717   36.676    208.308   27.283    30.516  4.6328  38.652  2.6513  -8.136297      5.337790 
1 1 1 -24 -9  33 o 15.729  5.3764  37.875    27.220    37.875    27.220    0.0000    0.0000    15.729  5.3764  ?       ?       ?              ?        
1 1 1 -24 -9  34 o 20.700  5.5486  70.345    31.391    70.345    31.391    0.0000    0.0000    20.700  5.5486  ?       ?       ?              ?        
1 1 1 -24 -9  35 o 11.217  3.1716  12.590    13.848    16.767    23.530    10.377    17.128    12.147  4.8304  10.287  4.1114  1.859808       6.343217 
1 1 1 -24 -9  36 o 16.752  3.3417  48.072    15.947    31.602    28.460    55.610    19.254    14.442  5.4257  19.062  3.9024  -4.619858      6.683382 
1 1 1 -24 -8  1  o 71.979  2.0742  704.664   39.988    693.365   56.319    716.152   56.787    71.393  2.9452  72.566  2.9216  -1.172638      4.148487 
1 1 1 -24 -8  2  o 63.601  2.7056  564.618   41.213    538.554   76.406    575.313   48.943    62.108  4.6261  65.095  2.8071  -2.986820      5.411183 
1 1 1 -24 -8  3  o 32.300  2.7026  142.403   23.167    0.0000    0.0000    142.403   23.167    ?       ?       32.300  2.7026  ?              ?        
1 1 1 -24 -8  4  o 39.557  2.6588  212.932   28.007    0.0000    0.0000    212.932   28.007    ?       ?       39.557  2.6588  ?              ?        
1 1 1 -24 -8  5  o 59.410  2.7570  478.521   43.871    0.0000    0.0000    478.521   43.871    ?       ?       59.410  2.7570  ?              ?        
1 1 1 -24 -8  6  o 31.201  1.9814  132.549   16.327    147.955   23.821    118.901   22.421    32.935  2.7248  29.468  2.8773  3.467079       3.962779 
1 1 1 -24 -8  7  o 39.923  1.9189  217.302   20.353    208.370   29.344    225.582   28.253    39.102  2.8206  40.744  2.6025  -1.641773      3.837819 
1 1 1 -24 -8  8  o 30.663  1.9638  128.168   15.933    133.592   23.280    123.389   21.852    31.269  2.8096  30.056  2.7446  1.213264       3.927688 
1 1 1 -24 -8  9  o 17.852  2.3923  45.527    10.933    37.591    16.021    52.445    14.958    16.262  3.7542  19.443  2.9663  -3.181240      4.784656 
1 1 1 -24 -8  10 o 32.694  1.9906  146.918   17.129    131.405   24.713    161.261   23.762    30.963  3.0182  34.425  2.5962  -3.461191      3.981153 
1 1 1 -24 -8  11 o 33.658  1.9767  154.691   17.632    152.677   25.528    156.530   24.383    33.428  2.8792  33.888  2.7090  -0.4599686     3.953308 
1 1 1 -24 -8  12 o 57.088  2.0194  442.736   30.802    463.329   43.784    422.559   43.340    58.455  2.7965  55.722  2.9140  2.733242       4.038722 
1 1 1 -24 -8  13 o 48.886  2.6074  324.917   30.713    319.580   36.359    338.214   57.387    48.461  2.8132  49.311  4.3909  -0.8504601     5.214785 
1 1 1 -24 -8  14 o 20.603  2.3091  59.190    12.317    60.460    17.489    57.941    17.349    20.834  3.2393  20.373  3.2916  0.4604683      4.618180 
1 1 1 -24 -8  15 o 27.959  2.0805  107.358   15.338    111.699   21.784    103.090   21.600    28.538  2.8897  27.381  2.9941  1.156954       4.161082 
1 1 1 -24 -8  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -8  17 o 23.521  3.1467  72.090    16.780    65.500    19.157    93.816    34.782    21.638  3.4190  25.405  5.2837  -3.767071      6.293382 
1 1 1 -24 -8  18 o 33.234  2.0300  151.232   17.848    165.220   25.614    138.031   24.884    34.762  2.7741  31.706  2.9645  3.056015       4.059983 
1 1 1 -24 -8  19 o 45.485  2.0102  282.558   24.364    288.165   34.795    277.165   34.125    45.929  2.8424  45.041  2.8432  0.8884735      4.020337 
1 1 1 -24 -8  20 f 15.122  2.8735  32.614    12.308    21.193    17.412    44.017    17.399    12.705  4.3003  17.539  3.8125  -4.833406      5.746913 
1 1 1 -24 -8  21 o 43.444  2.0629  258.938   23.848    251.261   33.988    266.383   33.469    42.783  2.9847  44.105  2.8484  -1.321648      4.125719 
1 1 1 -24 -8  22 o 53.138  2.0899  387.365   29.626    386.539   42.074    388.178   41.724    53.074  2.9716  53.201  2.9394  -0.1263771     4.179814 
1 1 1 -24 -8  23 o 62.315  2.1742  533.977   36.201    516.512   51.458    551.091   50.937    61.232  3.1482  63.399  2.9996  -2.167091      4.348409 
1 1 1 -24 -8  24 o 21.030  2.9166  64.179    15.825    58.380    22.606    69.752    22.161    19.998  4.3445  22.063  3.8924  -2.064373      5.833119 
1 1 1 -24 -8  25 o 32.508  2.3922  147.801   20.392    168.560   29.426    128.622   28.284    34.798  3.1927  30.217  3.5632  4.581289       4.784333 
1 1 1 -24 -8  26 o 54.561  2.0403  406.301   29.269    433.729   46.272    388.007   37.790    55.927  3.1011  53.195  2.6523  2.731571       4.080595 
1 1 1 -24 -8  27 f 19.659  2.7380  52.995    13.279    67.636    23.339    45.987    16.148    21.465  4.2098  17.854  3.5020  3.611507       5.475974 
1 1 1 -24 -8  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -8  29 o 19.607  3.5241  55.684    17.827    0.0000    0.0000    55.684    17.827    ?       ?       19.607  3.5241  ?              ?        
1 1 1 -24 -8  30 o 25.302  3.0245  90.521    20.091    0.0000    0.0000    90.521    20.091    ?       ?       25.302  3.0245  ?              ?        
1 1 1 -24 -8  31 o 22.575  3.4352  73.586    20.116    0.0000    0.0000    73.586    20.116    ?       ?       22.575  3.4352  ?              ?        
1 1 1 -24 -8  32 o 14.923  3.1577  21.278    12.986    63.910    27.029    8.4857    14.806    20.195  5.0188  9.6506  3.8336  10.54472       6.315443 
1 1 1 -24 -8  33 o 16.284  5.2488  41.327    26.037    41.327    26.037    0.0000    0.0000    16.284  5.2488  ?       ?       ?              ?        
1 1 1 -24 -8  34 o 33.040  4.3675  164.364   37.704    164.364   37.704    0.0000    0.0000    33.040  4.3675  ?       ?       ?              ?        
1 1 1 -24 -8  35 o 17.504  5.3572  50.131    27.466    50.131    27.466    0.0000    0.0000    17.504  5.3572  ?       ?       ?              ?        
1 1 1 -24 -8  36 o 11.481  3.0329  14.801    14.819    -23.0498  27.736    29.923    17.531    9.0691  4.2935  13.893  4.2847  -4.823707      6.065701 
1 1 1 -24 -8  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -7  1  o 118.901 3.5681  1994.91   103.662   1925.95   186.983   2025.51   124.556   116.305 6.0229  121.497 3.8275  -5.191620      7.136137 
1 1 1 -24 -7  2  o 73.965  2.9515  743.037   58.474    0.0000    0.0000    743.037   58.474    ?       ?       73.965  2.9515  ?              ?        
1 1 1 -24 -7  3  o 9.4658  3.2469  11.194    9.9283    0.0000    0.0000    11.194    9.9283    ?       ?       9.4658  3.2469  ?              ?        
1 1 1 -24 -7  4  o 48.509  2.6475  319.464   34.269    0.0000    0.0000    319.464   34.269    ?       ?       48.509  2.6475  ?              ?        
1 1 1 -24 -7  5  o 15.796  2.3826  35.232    9.7608    35.348    14.224    35.129    13.419    15.807  3.4559  15.785  3.2809  0.2192497E-01  4.765295 
1 1 1 -24 -7  6  o 28.252  1.9352  109.554   14.382    102.147   20.905    116.208   19.816    27.298  2.9038  29.206  2.5590  -1.908072      3.870418 
1 1 1 -24 -7  7  o 48.272  1.9229  317.192   24.696    302.377   35.660    330.846   34.235    47.154  2.8366  49.391  2.5969  -2.236580      3.845805 
1 1 1 -24 -7  8  o 36.756  1.9580  185.942   18.899    159.429   27.323    210.262   26.169    34.146  3.0185  39.366  2.4947  -5.219887      3.915971 
1 1 1 -24 -7  9  o 33.711  1.9233  154.454   17.188    167.432   24.933    142.699   23.728    35.075  2.6740  32.346  2.7653  2.728779       3.846689 
1 1 1 -24 -7  10 f 59.081  2.0081  472.892   31.772    480.805   45.471    465.344   44.413    59.561  2.8502  58.601  2.8295  0.9604378      4.016234 
1 1 1 -24 -7  11 o 40.313  1.9428  221.032   20.846    228.533   29.696    213.744   29.269    40.996  2.7198  39.629  2.7750  1.366920       3.885606 
1 1 1 -24 -7  12 o 24.510  2.1392  82.999    13.678    75.289    19.443    90.553    19.246    23.324  3.1963  25.695  2.8441  -2.370787      4.278464 
1 1 1 -24 -7  13 o 80.315  2.2096  877.016   47.523    896.644   67.111    857.273   67.306    81.232  3.0844  79.399  3.1649  1.833656       4.419277 
1 1 1 -24 -7  14 f 74.697  2.1415  758.092   42.840    769.808   60.506    746.313   60.665    75.285  3.0005  74.108  3.0562  1.177147       4.282953 
1 1 1 -24 -7  15 o 20.669  2.2950  59.493    12.285    60.968    17.557    58.079    17.195    20.927  3.2367  20.411  3.2545  0.5166092      4.589938 
1 1 1 -24 -7  16 o 55.793  1.9920  423.124   29.684    401.152   41.863    445.341   42.096    54.279  2.8899  57.307  2.7425  -3.027882      3.984096 
1 1 1 -24 -7  17 o 8.2304  3.5680  -1.7007   14.539    0.0000    0.0000    -1.7007   14.539    ?       ?       8.2304  3.5680  ?              ?        
1 1 1 -24 -7  18 o 59.221  4.1874  486.835   65.993    486.835   65.993    0.0000    0.0000    59.221  4.1874  ?       ?       ?              ?        
1 1 1 -24 -7  19 o 37.840  2.0492  195.852   20.525    219.347   29.503    173.818   28.572    40.087  2.7647  35.594  3.0256  4.492996       4.098495 
1 1 1 -24 -7  20 o 35.600  2.0672  173.896   19.523    169.327   27.890    178.286   27.336    35.119  2.9936  36.082  2.8517  -0.9634743     4.134497 
1 1 1 -24 -7  21 o 64.474  2.1489  568.009   37.100    554.100   52.561    581.818   52.373    63.669  3.0821  65.279  2.9953  -1.609695      4.297836 
1 1 1 -24 -7  22 o 75.472  2.2619  781.750   45.658    830.150   64.599    733.438   64.540    77.864  3.0974  73.081  3.2971  4.782524       4.523852 
1 1 1 -24 -7  23 o 19.617  2.8753  56.122    14.585    47.316    21.273    63.932    20.035    18.012  4.4382  21.222  3.6567  -3.210075      5.750613 
1 1 1 -24 -7  24 o 49.785  1.9628  335.789   25.589    361.185   40.837    319.371   32.835    51.228  2.9892  48.343  2.5447  2.884777       3.925652 
1 1 1 -24 -7  25 o 39.892  2.0650  214.504   21.361    242.290   35.076    198.125   26.930    41.809  3.1555  37.975  2.6645  3.833923       4.129941 
1 1 1 -24 -7  26 o 28.909  2.2659  110.933   16.614    139.772   28.576    96.208    20.420    31.538  3.4386  26.280  2.9520  5.257444       4.531858 
1 1 1 -24 -7  27 o 16.617  2.9487  41.774    12.626    35.686    22.386    44.615    15.290    15.598  4.8469  17.635  3.3595  -2.037078      5.897374 
1 1 1 -24 -7  28 o 33.659  2.9468  170.493   21.657    149.986   42.898    177.507   25.089    31.488  5.2728  35.830  2.6327  -4.342325      5.893517 
1 1 1 -24 -7  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -7  30 o 72.287  2.9358  727.959   56.843    0.0000    0.0000    727.959   56.843    ?       ?       72.287  2.9358  ?              ?        
1 1 1 -24 -7  31 o 38.681  2.7890  209.048   28.702    0.0000    0.0000    209.048   28.702    ?       ?       38.681  2.7890  ?              ?        
1 1 1 -24 -7  32 o 26.617  3.0136  99.233    18.375    120.084   36.710    92.263    21.225    27.819  5.1150  25.416  3.1880  2.403936       6.027171 
1 1 1 -24 -7  33 o 35.394  4.1623  185.300   38.705    185.300   38.705    0.0000    0.0000    35.394  4.1623  ?       ?       ?              ?        
1 1 1 -24 -7  34 o 18.921  5.3540  57.905    28.354    57.905    28.354    0.0000    0.0000    18.921  5.3540  ?       ?       ?              ?        
1 1 1 -24 -7  35 o 25.913  5.0280  106.533   33.640    106.533   33.640    0.0000    0.0000    25.913  5.0280  ?       ?       ?              ?        
1 1 1 -24 -7  36 o 24.775  3.1473  90.733    18.868    110.203   34.192    82.208    22.625    26.121  5.0700  23.429  3.7304  2.692019       6.294508 
1 1 1 -24 -7  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -6  1  o 93.238  3.2699  1183.83   81.661    0.0000    0.0000    1183.83   81.661    ?       ?       93.238  3.2699  ?              ?        
1 1 1 -24 -6  2  o 36.479  2.6251  180.992   25.478    0.0000    0.0000    180.992   25.478    ?       ?       36.479  2.6251  ?              ?        
1 1 1 -24 -6  3  o 41.571  2.6004  234.656   28.809    0.0000    0.0000    234.656   28.809    ?       ?       41.571  2.6004  ?              ?        
1 1 1 -24 -6  4  o 58.319  1.9490  460.890   30.420    448.899   43.523    472.343   42.535    57.561  2.8229  59.077  2.6881  -1.515636      3.897995 
1 1 1 -24 -6  5  o 72.908  2.1129  723.390   41.119    669.756   58.986    774.092   57.351    70.223  3.1360  75.592  2.8325  -5.368935      4.225873 
1 1 1 -24 -6  6  o 64.585  2.0381  566.409   35.177    540.811   50.713    590.147   48.835    63.145  2.9984  66.025  2.7614  -2.880600      4.076276 
1 1 1 -24 -6  7  o 25.005  1.9818  85.643    13.025    86.405    18.974    84.963    17.913    25.097  2.8744  24.913  2.7292  0.1837292      3.963671 
1 1 1 -24 -6  8  o 37.598  1.9027  191.850   19.017    202.736   27.542    181.931   26.289    38.624  2.6789  36.573  2.7028  2.050262       3.805447 
1 1 1 -24 -6  9  o 68.588  2.0900  637.753   38.386    637.779   54.895    637.729   53.696    68.580  2.9885  68.596  2.9225  -0.1592255E-01 4.179949 
1 1 1 -24 -6  10 o 70.583  2.1288  675.748   40.243    676.237   57.219    675.270   56.612    70.604  3.0257  70.562  2.9953  0.4148865E-01  4.257546 
1 1 1 -24 -6  11 o 54.625  1.9753  405.095   28.803    403.509   40.877    406.659   40.591    54.515  2.8090  54.736  2.7777  -0.2211952     3.950502 
1 1 1 -24 -6  12 o 45.355  1.9214  279.410   23.229    286.315   32.912    272.555   32.790    45.922  2.6875  44.788  2.7466  1.134506       3.842709 
1 1 1 -24 -6  13 o 36.067  1.9306  177.049   18.510    180.621   26.399    173.596   25.959    36.427  2.7254  35.706  2.7351  0.7213020      3.861209 
1 1 1 -24 -6  14 o 18.192  2.4217  48.523    11.208    26.954    15.962    69.501    15.741    13.875  4.0458  22.509  2.6625  -8.634002      4.843343 
1 1 1 -24 -6  15 o 9.5302  2.4932  9.5285    8.5088    6.5902    11.940    12.560    12.129    8.8722  3.4677  10.188  3.5833  -1.316048      4.986462 
1 1 1 -24 -6  16 o 63.970  2.0486  555.446   35.096    566.038   49.638    544.859   49.627    64.588  2.8693  63.352  2.9246  1.235851       4.097132 
1 1 1 -24 -6  17 o 63.832  2.0637  553.529   35.272    537.825   49.894    569.220   49.871    62.914  2.9608  64.750  2.8755  -1.836655      4.127390 
1 1 1 -24 -6  18 o 90.391  4.3225  1129.87   104.653   0.0000    0.0000    1129.87   104.653   ?       ?       90.391  4.3225  ?              ?        
1 1 1 -24 -6  19 o 25.023  4.5413  89.420    29.316    89.420    29.316    0.0000    0.0000    25.023  4.5413  ?       ?       ?              ?        
1 1 1 -24 -6  20 f 32.152  2.1656  142.218   18.417    139.784   26.249    144.577   25.846    31.864  3.1154  32.440  3.0088  -0.5760059     4.331144 
1 1 1 -24 -6  21 f 83.727  2.2606  968.615   50.060    879.426   74.702    1041.32   67.445    80.028  3.4850  87.426  2.8802  -7.397919      4.521152 
1 1 1 -24 -6  22 o 24.538  2.3432  87.557    13.889    72.967    23.256    95.645    17.315    22.643  3.9798  26.432  2.4746  -3.788492      4.686386 
1 1 1 -24 -6  23 o 77.002  2.2097  819.370   44.979    766.681   67.999    860.357   59.974    74.618  3.4023  79.386  2.8205  -4.768097      4.419363 
1 1 1 -24 -6  24 o 19.752  2.5052  50.750    12.309    76.763    21.208    37.537    15.115    23.333  3.5015  16.171  3.5839  7.162140       5.010439 
1 1 1 -24 -6  25 o 8.6518  2.4839  -3.7067   8.7944    16.925    16.846    -11.4356  10.311    11.727  4.2125  5.5762  2.6332  6.151102       4.967756 
1 1 1 -24 -6  26 o 34.760  2.1174  162.884   18.909    186.156   31.650    149.966   23.580    36.537  3.2686  32.983  2.6926  3.553867       4.234874 
1 1 1 -24 -6  27 o 27.731  2.4530  111.617   16.615    99.371    27.962    118.301   20.657    26.214  4.1182  29.248  2.6662  -3.033821      4.905914 
1 1 1 -24 -6  28 o 56.907  2.1498  444.879   32.088    479.569   50.991    422.135   41.289    58.567  3.2635  55.248  2.7993  3.319229       4.299578 
1 1 1 -24 -6  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -6  30 o 42.904  2.7521  256.090   31.460    0.0000    0.0000    256.090   31.460    ?       ?       42.904  2.7521  ?              ?        
1 1 1 -24 -6  31 o 23.348  3.3825  78.426    20.538    0.0000    0.0000    78.426    20.538    ?       ?       23.348  3.3825  ?              ?        
1 1 1 -24 -6  32 o 32.286  3.0090  153.331   22.061    156.202   42.978    152.304   25.706    31.702  5.2447  32.869  2.9512  -1.167019      6.018058 
1 1 1 -24 -6  33 o 9.8701  4.2881  0.6904    21.091    0.6904    21.091    0.0000    0.0000    9.8701  4.2881  ?       ?       ?              ?        
1 1 1 -24 -6  34 o 24.516  5.0908  94.845    32.336    94.845    32.336    0.0000    0.0000    24.516  5.0908  ?       ?       ?              ?        
1 1 1 -24 -6  35 o 39.770  2.5620  233.915   25.618    218.769   42.305    242.685   32.192    38.169  4.2079  41.371  2.9240  -3.201458      5.124078 
1 1 1 -24 -6  36 o 27.268  2.8349  101.846   18.934    147.979   34.658    82.220    22.606    31.098  4.2739  23.439  3.7255  7.659079       5.669709 
1 1 1 -24 -6  37 o 8.5524  3.6986  1.4750    15.548    0.0000    0.0000    1.4750    15.548    ?       ?       8.5524  3.6986  ?              ?        
1 1 1 -24 -5  1  o 38.395  2.6026  200.311   26.607    0.0000    0.0000    200.311   26.607    ?       ?       38.395  2.6026  ?              ?        
1 1 1 -24 -5  2  o 53.543  2.6498  387.852   38.002    0.0000    0.0000    387.852   38.002    ?       ?       53.543  2.6498  ?              ?        
1 1 1 -24 -5  3  o 27.043  1.8687  99.846    13.356    99.121    19.154    100.533   18.634    26.938  2.6906  27.149  2.5941  -0.2113190     3.737459 
1 1 1 -24 -5  4  o 41.239  1.8577  231.372   20.361    220.524   29.378    241.398   28.243    40.280  2.7393  42.199  2.5101  -1.919739      3.715416 
1 1 1 -24 -5  5  o 25.345  1.9039  87.525    12.701    94.730    18.565    81.185    17.415    26.337  2.6686  24.353  2.7161  1.984718       3.807709 
1 1 1 -24 -5  6  o 44.583  1.8880  269.673   22.412    270.043   32.546    269.339   30.910    44.598  2.7378  44.569  2.6005  0.2896500E-01  3.775987 
1 1 1 -24 -5  7  o 33.616  1.8767  153.490   16.749    159.063   24.249    148.406   23.161    34.199  2.6683  33.032  2.6399  1.167397       3.753486 
1 1 1 -24 -5  8  f 27.459  1.9661  103.571   14.171    94.303    20.438    112.153   19.666    26.221  2.9619  28.697  2.5864  -2.475433      3.932251 
1 1 1 -24 -5  9  o 32.615  1.9091  144.612   16.510    153.848   23.800    136.044   22.922    33.631  2.6639  31.599  2.7353  2.032261       3.818133 
1 1 1 -24 -5  10 o 45.242  1.9272  277.962   23.236    272.227   33.099    283.534   32.627    44.769  2.7739  45.715  2.6763  -0.9454994     3.854479 
1 1 1 -24 -5  11 o 51.031  1.9317  353.398   26.287    369.861   37.280    337.119   37.072    52.230  2.6738  49.831  2.7887  2.398624       3.863392 
1 1 1 -24 -5  12 o 44.122  1.9222  265.041   22.506    237.132   31.794    293.071   31.863    41.747  2.8607  46.497  2.5684  -4.750408      3.844449 
1 1 1 -24 -5  13 o 23.017  2.0946  72.937    12.605    76.402    18.012    69.611    17.647    23.570  2.9151  22.463  3.0087  1.107597       4.189297 
1 1 1 -24 -5  14 o 41.078  1.8780  229.250   20.539    239.675   29.180    219.013   28.915    42.018  2.6056  40.138  2.7054  1.880459       3.756044 
1 1 1 -24 -5  15 o 51.550  1.9013  360.735   26.158    356.096   37.120    365.311   36.869    51.213  2.7157  51.887  2.6618  -0.6740646     3.802683 
1 1 1 -24 -5  16 o 52.872  1.9800  379.941   27.940    380.845   39.718    379.055   39.310    52.931  2.8116  52.813  2.7888  0.1186447      3.960099 
1 1 1 -24 -5  17 o 45.083  1.9891  277.584   23.806    253.386   33.939    301.018   33.400    43.097  2.9580  47.069  2.6601  -3.972248      3.978200 
1 1 1 -24 -5  18 o 39.887  1.9778  217.105   20.972    207.101   29.806    226.913   29.513    38.951  2.8772  40.822  2.7146  -1.871220      3.955692 
1 1 1 -24 -5  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -5  20 o 18.356  2.7272  50.465    13.176    27.445    19.278    70.645    18.050    14.139  4.5122  22.573  3.0646  -8.433974      5.454491 
1 1 1 -24 -5  21 o 40.881  1.9419  229.208   20.560    223.678   32.891    232.753   26.340    40.377  3.0641  41.385  2.3863  -1.007702      3.883720 
1 1 1 -24 -5  22 o 48.284  1.9768  317.199   24.940    325.271   39.625    311.904   32.094    48.700  3.0531  47.868  2.5120  0.8323135      3.953684 
1 1 1 -24 -5  23 f 31.824  2.0529  133.148   16.860    169.110   27.970    112.625   21.130    35.040  3.0093  28.608  2.7932  6.432718       4.105825 
1 1 1 -24 -5  24 o 17.348  2.6912  49.045    12.073    23.720    20.523    62.447    14.929    13.458  4.6652  21.238  2.6844  -7.779794      5.382349 
1 1 1 -24 -5  25 o 34.182  2.1987  164.929   18.970    150.978   31.080    173.212   23.947    32.807  3.5959  35.557  2.5310  -2.750595      4.397346 
1 1 1 -24 -5  26 o 10.759  2.8154  12.882    11.302    -1.1053   19.521    19.934    13.861    9.5230  4.1313  11.995  3.8259  -2.472015      5.630757 
1 1 1 -24 -5  27 o 36.774  2.2267  191.324   20.833    177.188   33.778    200.002   26.466    35.430  3.6098  38.118  2.6079  -2.688431      4.453304 
1 1 1 -24 -5  28 o 50.358  2.1920  354.956   28.551    345.413   45.836    361.005   36.495    49.553  3.4754  51.163  2.6724  -1.610531      4.384081 
1 1 1 -24 -5  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -5  30 o 29.636  2.9447  123.363   23.065    0.0000    0.0000    123.363   23.065    ?       ?       29.636  2.9447  ?              ?        
1 1 1 -24 -5  31 o 57.754  2.8463  464.615   44.030    0.0000    0.0000    464.615   44.030    ?       ?       57.754  2.8463  ?              ?        
1 1 1 -24 -5  32 o 19.947  3.1734  64.426    16.012    48.157    27.593    72.686    19.661    17.461  5.3739  22.433  3.3769  -4.971951      6.346803 
1 1 1 -24 -5  33 o 22.882  5.0619  82.216    30.202    82.216    30.202    0.0000    0.0000    22.882  5.0619  ?       ?       ?              ?        
1 1 1 -24 -5  34 o 30.473  4.4894  140.779   35.546    140.779   35.546    0.0000    0.0000    30.473  4.4894  ?       ?       ?              ?        
1 1 1 -24 -5  35 o 31.229  2.6419  135.411   20.936    178.847   35.644    112.536   25.868    34.744  3.8974  27.713  3.5677  7.031332       5.283756 
1 1 1 -24 -5  36 o 18.776  3.3862  57.902    16.415    52.244    29.574    60.421    19.733    17.583  5.5862  19.969  3.8286  -2.386101      6.772317 
1 1 1 -24 -5  37 o 13.875  4.2595  30.386    17.349    0.0000    0.0000    30.386    17.349    ?       ?       13.875  4.2595  ?              ?        
1 1 1 -24 -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -4  6  o 51.177  2.5269  360.777   31.745    365.281   38.338    350.955   56.616    51.901  2.7678  50.454  4.2284  1.447044       5.053744 
1 1 1 -24 -4  7  o 22.704  1.9882  70.786    11.532    90.855    16.876    53.202    15.796    25.831  2.4692  19.578  3.1169  6.253548       3.976393 
1 1 1 -24 -4  8  f 47.721  1.9259  308.608   24.497    325.110   35.126    292.981   34.182    48.974  2.6881  46.468  2.7587  2.505459       3.851775 
1 1 1 -24 -4  9  o 21.934  2.0158  66.185    11.556    65.169    16.526    67.157    16.164    21.755  2.9089  22.113  2.7913  -0.3580990     4.031520 
1 1 1 -24 -4  10 o 95.428  2.4274  1238.79   62.011    1283.04   87.573    1194.29   87.819    97.166  3.3649  93.690  3.4995  3.476128       4.854772 
1 1 1 -24 -4  11 o 28.469  1.9334  111.028   14.435    126.920   20.498    95.392    20.333    30.554  2.5274  26.383  2.9265  4.170805       3.866821 
1 1 1 -24 -4  12 o 29.154  1.9447  116.167   14.904    132.276   21.317    100.764   20.845    31.185  2.5751  27.124  2.9150  4.060900       3.889483 
1 1 1 -24 -4  13 o 29.755  1.9259  120.776   15.145    130.637   21.613    111.263   21.229    30.976  2.6298  28.534  2.8144  2.442490       3.851812 
1 1 1 -24 -4  14 o 48.552  1.9022  319.932   24.637    314.291   34.890    325.542   34.793    48.117  2.7183  48.987  2.6617  -0.8696022     3.804419 
1 1 1 -24 -4  15 o 56.599  2.0000  434.585   30.270    433.353   42.947    435.801   42.671    56.481  2.8480  56.718  2.8088  -0.2375679     4.000063 
1 1 1 -24 -4  16 o 33.493  1.8321  153.150   15.946    150.099   25.169    155.196   20.609    33.154  2.8623  33.832  2.2877  -0.6780396     3.664239 
1 1 1 -24 -4  17 o 19.219  2.3432  55.322    10.888    39.698    17.762    64.727    13.781    16.681  4.0223  21.756  2.4051  -5.075209      4.686486 
1 1 1 -24 -4  18 o 30.160  1.8866  121.146   14.787    139.311   23.927    109.921   18.809    31.922  2.8276  28.397  2.4983  3.525429       3.773135 
1 1 1 -24 -4  19 o 31.955  1.9762  141.960   16.133    129.876   25.833    149.688   20.657    30.715  3.1864  33.195  2.3383  -2.479614      3.952301 
1 1 1 -24 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -4  21 o 23.291  2.4508  80.262    13.610    62.896    22.848    89.814    16.945    20.962  4.2155  25.621  2.5010  -4.659445      4.901555 
1 1 1 -24 -4  22 o 85.750  2.2689  1001.52   51.827    1051.78   78.187    962.124   69.219    87.587  3.3328  83.913  3.0797  3.673897       4.537826 
1 1 1 -24 -4  23 o 58.352  2.0900  469.947   31.933    443.853   49.542    488.493   41.766    56.780  3.2714  59.925  2.6021  -3.145168      4.180092 
1 1 1 -24 -4  24 o 24.088  2.4756  72.848    14.281    136.425   24.591    40.493    17.543    31.440  2.9548  16.736  3.9728  14.70356       4.951140 
1 1 1 -24 -4  25 o 30.854  2.1962  130.067   17.393    140.802   28.581    123.754   21.919    31.747  3.4149  29.962  2.7624  1.785015       4.392363 
1 1 1 -24 -4  26 o 38.712  2.2557  215.517   21.929    180.984   35.378    237.064   27.945    35.827  3.7418  41.596  2.5201  -5.768646      4.511374 
1 1 1 -24 -4  27 o 26.020  2.4795  88.128    16.116    129.196   27.947    67.667    19.727    30.252  3.5146  21.789  3.4985  8.462706       4.958980 
1 1 1 -24 -4  28 o 24.429  2.6294  82.512    16.034    97.428    27.409    74.752    19.770    25.911  4.0847  22.948  3.3123  2.963013       5.258894 
1 1 1 -24 -4  29 o 25.999  3.0662  95.235    20.942    0.0000    0.0000    95.235    20.942    ?       ?       25.999  3.0662  ?              ?        
1 1 1 -24 -4  30 o 28.599  3.0771  115.451   23.201    0.0000    0.0000    115.451   23.201    ?       ?       28.599  3.0771  ?              ?        
1 1 1 -24 -4  31 o 16.605  3.7009  40.780    16.040    0.0000    0.0000    40.780    16.040    ?       ?       16.605  3.7009  ?              ?        
1 1 1 -24 -4  32 o 13.653  3.3425  23.816    14.167    37.559    25.194    17.461    17.133    15.681  5.1702  11.626  4.2377  4.055201       6.684998 
1 1 1 -24 -4  33 o 17.088  5.2523  46.179    26.369    46.179    26.369    0.0000    0.0000    17.088  5.2523  ?       ?       ?              ?        
1 1 1 -24 -4  34 o 14.555  5.2522  30.985    26.221    30.985    26.221    0.0000    0.0000    14.555  5.2522  ?       ?       ?              ?        
1 1 1 -24 -4  35 o 21.429  3.3595  73.892    17.745    67.350    31.690    76.881    21.418    20.056  5.6550  22.802  3.6284  -2.745794      6.718968 
1 1 1 -24 -4  36 o 11.559  3.2129  14.748    13.066    20.227    25.980    12.893    15.117    12.779  5.0775  10.340  3.9381  2.439012       6.425722 
1 1 1 -24 -4  37 o 19.696  4.0055  60.367    20.411    0.0000    0.0000    60.367    20.411    ?       ?       19.696  4.0055  ?              ?        
1 1 1 -24 -3  1  o 55.497  1.8907  416.403   28.087    416.552   40.439    416.264   39.040    55.498  2.7204  55.497  2.6263  0.7667542E-03  3.781335 
1 1 1 -24 -3  2  o 42.004  1.8118  239.573   20.240    231.633   29.322    246.799   27.972    41.316  2.6639  42.693  2.4565  -1.377068      3.623608 
1 1 1 -24 -3  3  o 39.592  1.8122  212.459   19.097    214.178   27.650    210.891   26.407    39.736  2.6124  39.448  2.5123  0.2884712      3.624390 
1 1 1 -24 -3  4  o 53.344  1.8990  384.688   27.078    394.282   38.992    375.751   37.632    54.018  2.6950  52.670  2.6763  1.347343       3.798081 
1 1 1 -24 -3  5  o 20.965  1.9100  60.338    10.462    60.433    15.179    60.252    14.441    20.968  2.7705  20.963  2.6298  0.5516052E-02  3.819929 
1 1 1 -24 -3  6  o 40.145  1.8556  218.174   19.826    230.356   28.681    207.026   27.436    41.223  2.6110  39.067  2.6374  2.156719       3.711246 
1 1 1 -24 -3  7  o 45.044  2.4380  274.927   26.734    282.793   48.975    271.588   31.907    45.327  4.0776  44.762  2.6735  0.5651436      4.875919 
1 1 1 -24 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -3  9  o 68.435  2.6931  625.968   45.185    605.775   53.755    674.589   83.412    66.886  3.0005  69.985  4.4731  -3.098663      5.386282 
1 1 1 -24 -3  10 o 48.005  1.8921  312.436   24.221    322.941   34.222    301.892   34.285    48.827  2.6264  47.183  2.7244  1.643288       3.784207 
1 1 1 -24 -3  11 f 39.601  1.8600  212.916   19.593    200.841   27.657    225.081   27.761    38.454  2.7023  40.748  2.5565  -2.293530      3.719968 
1 1 1 -24 -3  12 o 87.959  2.6614  1057.55   60.412    1063.70   76.061    1047.04   99.431    88.526  3.2078  87.392  4.2477  1.133476       5.322897 
1 1 1 -24 -3  13 o 35.137  1.7745  168.657   16.272    161.641   25.291    173.613   21.255    34.457  2.7636  35.817  2.2265  -1.360672      3.548918 
1 1 1 -24 -3  14 f 83.432  2.1197  940.371   47.240    990.222   70.025    898.735   63.996    85.432  3.0602  81.432  2.9340  3.999817       4.239478 
1 1 1 -24 -3  15 o 35.704  1.7389  166.891   16.222    215.701   25.812    135.031   20.855    39.892  2.4273  31.517  2.4907  8.374748       3.477843 
1 1 1 -24 -3  16 o 45.208  1.8080  277.659   21.490    274.593   33.199    279.871   28.195    44.942  2.7714  45.474  2.3226  -0.5318375     3.615972 
1 1 1 -24 -3  17 o 18.815  2.4343  58.085    11.025    25.262    17.845    78.350    14.021    13.633  4.3401  23.998  2.2060  -10.36476      4.868612 
1 1 1 -24 -3  18 f 37.326  1.9038  191.268   18.366    182.819   29.284    196.746   23.579    36.558  3.0176  38.093  2.3220  -1.534580      3.807579 
1 1 1 -24 -3  19 o 49.593  1.9265  336.328   25.034    322.261   38.899    346.273   32.707    48.591  3.0036  50.596  2.4134  -2.005753      3.853048 
1 1 1 -24 -3  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -3  21 o 31.910  2.1092  142.324   17.047    130.578   27.730    149.460   21.614    30.696  3.4314  33.125  2.4536  -2.428175      4.218354 
1 1 1 -24 -3  22 o 18.254  2.5306  42.625    11.680    73.251    19.808    26.301    14.461    22.900  3.3267  13.608  3.8143  9.291566       5.061190 
1 1 1 -24 -3  23 o 64.339  2.0901  562.671   35.629    584.721   54.992    546.719   46.773    65.337  3.1423  63.341  2.7569  1.996426       4.180271 
1 1 1 -24 -3  24 o 36.386  2.0987  181.676   19.741    185.420   31.843    179.339   25.160    36.578  3.2851  36.194  2.6128  0.3847084      4.197497 
1 1 1 -24 -3  25 o 19.064  2.7545  48.048    13.318    75.302    22.407    33.160    16.561    22.998  3.7680  15.129  4.0188  7.868741       5.508965 
1 1 1 -24 -3  26 o 17.069  2.7958  47.538    12.769    22.233    21.703    60.936    15.792    13.260  4.7793  20.878  2.9025  -7.618162      5.591634 
1 1 1 -24 -3  27 o 42.668  2.1711  253.924   23.983    247.642   38.239    257.997   30.793    42.045  3.4253  43.292  2.6686  -1.247120      4.342131 
1 1 1 -24 -3  28 o 36.490  2.3812  190.777   21.665    175.750   36.345    199.059   26.983    35.025  3.9428  37.956  2.6712  -2.930820      4.762407 
1 1 1 -24 -3  29 o 33.642  2.8161  157.641   25.143    0.0000    0.0000    157.641   25.143    ?       ?       33.642  2.8161  ?              ?        
1 1 1 -24 -3  30 o 16.957  4.4550  43.560    20.497    0.0000    0.0000    43.560    20.497    ?       ?       16.957  4.4550  ?              ?        
1 1 1 -24 -3  31 o 19.750  3.3427  54.592    15.439    72.200    31.891    49.201    17.645    21.244  5.5453  18.257  3.7341  2.986599       6.685340 
1 1 1 -24 -3  32 o 14.624  5.0736  31.439    24.276    31.439    24.276    0.0000    0.0000    14.624  5.0736  ?       ?       ?              ?        
1 1 1 -24 -3  33 o 10.380  4.4093  4.7002    21.371    4.7002    21.371    0.0000    0.0000    10.380  4.4093  ?       ?       ?              ?        
1 1 1 -24 -3  34 o 53.605  3.7633  418.699   53.690    418.699   53.690    0.0000    0.0000    53.605  3.7633  ?       ?       ?              ?        
1 1 1 -24 -3  35 o 11.113  3.0433  -1.6577   13.116    38.134    25.379    -16.1584  15.320    15.528  5.1919  6.6976  3.1767  8.830256       6.086626 
1 1 1 -24 -3  36 o 15.910  3.2905  29.448    15.058    73.939    28.410    12.066    17.758    21.234  5.0660  10.586  4.2006  10.64749       6.580924 
1 1 1 -24 -3  37 o 9.5185  3.8524  8.6016    15.246    0.0000    0.0000    8.6016    15.246    ?       ?       9.5185  3.8524  ?              ?        
1 1 1 -24 -2  1  o 41.154  1.7963  229.981   19.650    221.414   28.507    237.735   27.122    40.398  2.6492  41.909  2.4265  -1.510799      3.592551 
1 1 1 -24 -2  2  o 36.751  1.8115  184.166   17.616    167.288   25.400    199.808   24.452    35.082  2.7245  38.420  2.3880  -3.338215      3.622899 
1 1 1 -24 -2  3  o 47.543  1.8426  305.648   23.342    328.430   33.627    284.462   32.428    49.265  2.5571  45.821  2.6535  3.444111       3.685122 
1 1 1 -24 -2  4  o 52.809  1.8827  376.771   26.569    394.001   38.117    360.489   37.053    54.021  2.6343  51.596  2.6905  2.425644       3.765369 
1 1 1 -24 -2  5  o 56.305  1.9678  428.660   29.620    441.306   42.453    416.664   41.347    57.150  2.7733  55.460  2.7924  1.689953       3.935564 
1 1 1 -24 -2  6  o 25.525  1.8443  88.641    12.403    96.876    17.964    81.140    17.145    26.678  2.5449  24.373  2.6700  2.305002       3.688580 
1 1 1 -24 -2  7  o 12.953  2.1716  23.800    7.4511    20.034    10.814    27.204    10.281    11.968  3.2773  13.939  2.8499  -1.970808      4.343141 
1 1 1 -24 -2  8  o 35.529  1.8866  171.342   17.819    175.721   25.430    167.119   24.975    35.979  2.6576  35.079  2.6784  0.9002800      3.773127 
1 1 1 -24 -2  9  o 54.866  1.8684  408.741   27.136    393.468   40.876    420.775   36.285    53.873  2.8428  55.859  2.4252  -1.985191      3.736717 
1 1 1 -24 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -2  11 o 64.875  1.9020  566.809   32.914    588.874   49.201    548.938   44.280    65.994  2.7834  63.757  2.5930  2.236900       3.804068 
1 1 1 -24 -2  12 f 86.586  2.1805  1017.61   50.379    999.661   74.175    1032.97   68.640    85.827  3.2266  87.344  2.9339  -1.517799      4.361084 
1 1 1 -24 -2  13 o 23.333  1.8621  72.886    11.239    83.020    18.008    66.422    14.383    24.621  2.7794  22.045  2.4789  2.575348       3.724220 
1 1 1 -24 -2  14 o 84.745  2.1528  972.393   48.705    993.754   72.193    954.550   65.983    85.560  3.1502  83.930  2.9351  1.630211       4.305639 
1 1 1 -24 -2  15 o 40.748  1.7522  222.855   18.826    239.980   29.254    210.749   24.596    42.049  2.6104  39.448  2.3383  2.600449       3.504494 
1 1 1 -24 -2  16 o 28.472  1.8923  111.651   13.814    106.343   22.124    115.043   17.685    27.836  3.0156  29.109  2.2867  -1.272842      3.784506 
1 1 1 -24 -2  17 o 29.184  1.8994  113.414   14.335    129.258   23.466    103.983   18.106    30.741  2.8837  27.627  2.4730  3.113394       3.798878 
1 1 1 -24 -2  18 o 26.847  2.0785  100.397   14.113    93.425    22.856    104.694   17.942    25.971  3.3647  27.722  2.4413  -1.751003      4.157067 
1 1 1 -24 -2  19 o 19.988  2.3588  53.850    11.842    64.617    19.768    47.824    14.788    21.467  3.5629  18.509  3.0920  2.957594       4.717517 
1 1 1 -24 -2  20 o 30.022  2.0546  122.682   15.771    127.431   26.005    119.920   19.835    30.395  3.2444  29.649  2.5216  0.7453671      4.109105 
1 1 1 -24 -2  21 o 24.619  3.5387  84.710    22.664    84.710    22.664    0.0000    0.0000    24.619  3.5387  ?       ?       ?              ?        
1 1 1 -24 -2  22 o 36.540  2.0419  182.885   19.338    183.644   30.904    182.397   24.792    36.509  3.1924  36.570  2.5469  -0.6041718E-01 4.083881 
1 1 1 -24 -2  23 o 61.510  2.0642  512.172   33.707    549.442   51.873    484.934   44.346    63.373  3.0559  59.647  2.7757  3.726273       4.128356 
1 1 1 -24 -2  24 o 20.097  2.7017  62.866    13.291    40.618    21.683    76.254    16.821    16.701  4.6668  23.494  2.7235  -6.793068      5.403418 
1 1 1 -24 -2  25 o 47.447  2.1250  314.032   26.184    291.033   40.960    329.927   34.050    45.786  3.3635  49.107  2.5980  -3.321709      4.249976 
1 1 1 -24 -2  26 o 50.891  2.1819  363.727   28.769    329.105   45.066    387.541   37.376    48.553  3.4885  53.229  2.6215  -4.676029      4.363744 
1 1 1 -24 -2  27 o 19.308  2.8797  51.250    13.873    67.002    23.999    43.344    17.002    21.353  4.3440  17.264  3.7815  4.088863       5.759360 
1 1 1 -24 -2  28 o 30.190  2.8121  126.755   22.478    0.0000    0.0000    126.755   22.478    ?       ?       30.190  2.8121  ?              ?        
1 1 1 -24 -2  29 o 33.401  2.8648  155.673   25.381    0.0000    0.0000    155.673   25.381    ?       ?       33.401  2.8648  ?              ?        
1 1 1 -24 -2  30 o 48.297  3.7628  334.847   48.292    0.0000    0.0000    334.847   48.292    ?       ?       48.297  3.7628  ?              ?        
1 1 1 -24 -2  31 o 26.946  2.7327  106.753   18.168    103.868   30.476    108.343   22.629    26.271  4.4924  27.622  3.1129  -1.350374      5.465481 
1 1 1 -24 -2  32 o 33.190  4.0987  162.602   35.662    162.602   35.662    0.0000    0.0000    33.190  4.0987  ?       ?       ?              ?        
1 1 1 -24 -2  33 o 43.168  3.8495  272.028   44.043    272.028   44.043    0.0000    0.0000    43.168  3.8495  ?       ?       ?              ?        
1 1 1 -24 -2  34 o 23.780  3.1059  84.014    18.317    94.929    31.169    78.256    22.639    24.604  4.9016  22.956  3.8158  1.648617       6.211804 
1 1 1 -24 -2  35 o 7.8815  2.6004  -11.2973  12.162    -12.0765  22.662    -10.9822  14.413    8.8708  4.0929  6.8922  3.2089  1.978640       5.200867 
1 1 1 -24 -2  36 o 18.779  3.4821  59.401    17.086    51.574    31.372    62.701    20.373    17.300  5.7725  20.259  3.8959  -2.959606      6.964234 
1 1 1 -24 -2  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -1  1  o 36.560  1.7770  181.209   17.281    180.631   24.928    181.743   23.978    36.495  2.5665  36.626  2.4585  -0.1314011     3.554004 
1 1 1 -24 -1  2  o 83.274  2.2413  939.286   49.985    958.592   71.253    920.580   70.139    84.118  3.1624  82.429  3.1768  1.688950       4.482512 
1 1 1 -24 -1  3  f 128.490 2.8801  2252.53   99.103    2305.82   140.488   2199.74   139.818   130.025 4.0339  126.954 4.1118  3.070900       5.760118 
1 1 1 -24 -1  4  o 26.309  2.0074  94.062    13.693    91.771    17.748    97.432    21.523    25.955  2.5874  26.663  3.0698  -0.7077885     4.014736 
1 1 1 -24 -1  5  o 22.002  1.8469  69.803    9.9830    52.302    15.657    81.791    12.959    19.423  3.1149  24.580  1.9852  -5.157431      3.693702 
1 1 1 -24 -1  6  o 39.990  1.9856  232.243   19.574    155.605   30.153    288.060   25.733    33.711  3.3851  46.268  2.0765  -12.55675      3.971254 
1 1 1 -24 -1  7  o 57.341  1.9485  450.169   29.344    409.668   44.602    481.078   38.965    54.945  3.0426  59.738  2.4352  -4.793858      3.897099 
1 1 1 -24 -1  8  o 46.013  1.7777  283.890   21.667    306.395   33.128    267.066   28.642    47.579  2.6094  44.446  2.4150  3.133343       3.555481 
1 1 1 -24 -1  9  o 104.180 2.4551  1475.43   68.335    1445.79   99.650    1501.74   93.888    103.135 3.6073  105.225 3.3312  -2.090698      4.910168 
1 1 1 -24 -1  10 o 46.081  1.7854  289.811   21.653    268.106   32.793    306.590   28.832    44.459  2.7675  47.704  2.2565  -3.244488      3.570807 
1 1 1 -24 -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -1  12 o 26.016  1.7644  88.926    11.878    118.368   18.776    69.280    15.338    29.528  2.3947  22.505  2.5918  7.023489       3.528725 
1 1 1 -24 -1  13 o 11.028  2.3247  15.990    7.1768    20.055    11.953    13.698    8.9745    12.022  3.4999  10.034  3.0606  1.987914       4.649383 
1 1 1 -24 -1  14 o 67.313  1.9597  612.289   35.093    620.662   52.945    605.727   46.868    67.685  2.9204  66.942  2.6139  0.7428055      3.919358 
1 1 1 -24 -1  15 o 40.972  1.8153  227.034   19.474    231.800   30.652    223.807   25.217    41.285  2.7882  40.659  2.3252  0.6260033      3.630531 
1 1 1 -24 -1  16 o 78.094  2.1329  831.487   44.228    796.098   66.234    859.965   59.416    76.511  3.2320  79.677  2.7841  -3.166451      4.265788 
1 1 1 -24 -1  17 o 11.657  2.4343  16.186    8.1469    28.782    13.827    9.4883    10.083    14.246  3.6171  9.0687  3.2588  5.177169       4.868572 
1 1 1 -24 -1  18 f 15.710  2.5079  37.305    10.125    25.544    16.827    43.980    12.677    13.606  4.1980  17.814  2.7451  -4.207619      5.015845 
1 1 1 -24 -1  19 o 20.491  2.3625  59.600    11.956    55.333    19.781    62.056    15.008    19.753  3.8772  21.230  2.7005  -1.476833      4.724961 
1 1 1 -24 -1  20 o 7.2846  2.1610  0.3395    7.4379    -9.4005   12.425    5.7793    9.2855    6.5908  3.0373  7.9785  3.0747  -1.387722      4.321931 
1 1 1 -24 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 -1  22 o 35.482  2.0004  168.016   18.564    199.127   29.589    147.819   23.840    38.110  2.9210  32.854  2.7339  5.255245       4.000786 
1 1 1 -24 -1  23 f 46.093  2.0066  286.729   24.371    317.958   38.081    265.066   31.717    48.148  2.9673  44.037  2.7020  4.111492       4.013187 
1 1 1 -24 -1  24 o 16.549  2.8020  36.896    11.988    52.226    20.130    28.473    14.922    19.014  4.0752  14.084  3.8468  4.930119       5.604075 
1 1 1 -24 -1  25 o 53.039  2.1035  386.126   29.366    394.738   45.559    380.004   38.409    53.433  3.1980  52.646  2.7333  0.7870445      4.206910 
1 1 1 -24 -1  26 o 22.386  2.5712  69.205    14.528    81.801    23.921    61.843    18.287    23.895  3.8699  20.877  3.3864  3.018312       5.142335 
1 1 1 -24 -1  27 o 39.415  2.2390  216.755   22.766    215.871   36.669    217.309   29.041    39.160  3.5340  39.671  2.7501  -0.5104675     4.477961 
1 1 1 -24 -1  28 o 29.049  2.9129  117.815   22.360    0.0000    0.0000    117.815   22.360    ?       ?       29.049  2.9129  ?              ?        
1 1 1 -24 -1  29 o 57.672  2.8666  461.502   44.281    0.0000    0.0000    461.502   44.281    ?       ?       57.672  2.8666  ?              ?        
1 1 1 -24 -1  30 o 31.781  3.2525  150.688   25.691    151.885   42.792    150.013   32.124    31.369  5.2806  32.193  3.7987  -0.8236675     6.504964 
1 1 1 -24 -1  31 o 43.571  2.6742  274.377   30.883    266.190   42.827    283.247   44.576    42.905  3.7647  44.236  3.7989  -1.331448      5.348389 
1 1 1 -24 -1  32 o 19.264  4.8958  58.198    25.315    58.198    25.315    0.0000    0.0000    19.264  4.8958  ?       ?       ?              ?        
1 1 1 -24 -1  33 o 9.2130  4.0502  -1.5170   19.305    -1.5170   19.305    0.0000    0.0000    9.2130  4.0502  ?       ?       ?              ?        
1 1 1 -24 -1  34 o 25.344  3.0533  100.218   18.857    88.169    31.404    107.012   23.582    23.484  5.1356  27.205  3.3041  -3.720179      6.106648 
1 1 1 -24 -1  35 o 21.446  3.2863  81.861    17.965    45.682    31.106    99.967    22.005    16.626  5.7446  26.265  3.1937  -9.638670      6.572665 
1 1 1 -24 -1  36 o 11.518  3.1410  3.0496    13.471    41.321    26.479    -10.3148  15.647    15.776  5.3031  7.2598  3.3676  8.515924       6.282017 
1 1 1 -24 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 0   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 0   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 0   5  o 63.508  1.9203  544.837   32.429    540.589   48.774    548.203   43.415    63.255  2.8787  63.761  2.5421  -0.5052490     3.840505 
1 1 1 -24 0   6  o 70.612  2.0513  678.972   38.358    633.166   57.582    715.515   51.431    68.399  3.1430  72.824  2.6367  -4.424698      4.102525 
1 1 1 -24 0   7  o 65.058  1.9596  569.529   33.935    588.914   51.281    554.428   45.263    66.014  2.9002  64.102  2.6362  1.911888       3.919288 
1 1 1 -24 0   8  o 36.138  1.8318  182.645   16.992    148.526   25.992    208.109   22.455    33.013  2.9713  39.263  2.1432  -6.250534      3.663597 
1 1 1 -24 0   9  o 66.761  1.9575  604.661   34.764    576.357   51.560    628.252   47.073    65.284  2.9486  68.238  2.5755  -2.954018      3.915051 
1 1 1 -24 0   10 o 67.989  1.9269  623.038   34.965    639.877   51.976    609.119   47.256    68.806  2.8203  67.173  2.6265  1.633316       3.853861 
1 1 1 -24 0   11 o 88.826  2.5843  1047.06   57.602    1149.72   103.074   1000.44   69.460    91.690  4.1970  85.962  3.0168  5.728073       5.168691 
1 1 1 -24 0   12 o 42.501  2.5797  250.073   28.501    233.677   43.961    261.961   37.433    41.169  4.0387  43.833  3.2107  -2.664051      5.159418 
1 1 1 -24 0   13 o 17.483  2.2014  42.401    9.6172    43.507    15.857    41.758    12.096    17.588  3.4892  17.379  2.6850  0.2090206      4.402724 
1 1 1 -24 0   14 o 14.960  2.3284  31.264    8.8236    32.564    14.587    30.513    11.081    15.160  3.6387  14.760  2.9062  0.4001970      4.656801 
1 1 1 -24 0   15 o 59.501  1.9868  488.226   30.942    429.795   46.940    533.125   41.147    56.175  3.1321  62.826  2.4452  -6.651455      3.973556 
1 1 1 -24 0   16 o 45.756  1.9021  286.575   22.750    272.190   35.340    296.754   29.728    44.695  2.9689  46.817  2.3785  -2.121578      3.804157 
1 1 1 -24 0   17 o 43.111  1.9341  256.337   21.661    234.748   33.762    271.440   28.239    41.457  3.0622  44.765  2.3635  -3.307835      3.868221 
1 1 1 -24 0   18 o 38.007  1.9506  197.622   19.324    192.774   30.277    200.955   25.100    37.540  3.0371  38.473  2.4485  -0.9322395     3.901208 
1 1 1 -24 0   19 o 12.394  2.5930  19.461    9.0922    29.720    15.187    13.729    11.351    14.459  3.8522  10.329  3.4722  4.129785       5.186065 
1 1 1 -24 0   20 o 34.157  1.9945  156.871   17.825    175.219   28.209    144.676   22.998    35.763  2.9718  32.551  2.6610  3.211906       3.989076 
1 1 1 -24 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 0   22 o 57.601  2.1068  457.529   31.954    426.413   48.459    481.467   42.503    55.700  3.2624  59.503  2.6668  -3.802738      4.213675 
1 1 1 -24 0   23 o 22.423  2.3707  68.834    13.528    78.888    21.892    62.623    17.207    23.678  3.5623  21.168  3.1291  2.509821       4.741472 
1 1 1 -24 0   24 o 32.795  2.2377  152.880   18.608    132.669   29.474    166.275   23.995    30.749  3.6498  34.840  2.5899  -4.090229      4.475335 
1 1 1 -24 0   25 o 32.655  2.2504  150.089   18.757    140.381   30.046    156.288   24.011    31.600  3.6149  33.711  2.6814  -2.111029      4.500844 
1 1 1 -24 0   26 o 28.461  2.3719  112.913   17.201    117.438   28.077    110.194   21.763    28.765  3.7321  28.158  2.9285  0.6074409      4.743846 
1 1 1 -24 0   27 o 23.093  3.1365  75.142    18.898    0.0000    0.0000    75.142    18.898    ?       ?       23.093  3.1365  ?              ?        
1 1 1 -24 0   28 o 9.8198  3.6343  11.146    12.676    0.0000    0.0000    11.146    12.676    ?       ?       9.8198  3.6343  ?              ?        
1 1 1 -24 0   29 o 22.234  3.2822  70.668    18.959    0.0000    0.0000    70.668    18.959    ?       ?       22.234  3.2822  ?              ?        
1 1 1 -24 0   30 o 17.439  3.1630  42.410    14.597    64.529    24.713    30.560    18.090    20.564  4.6017  14.313  4.3408  6.251111       6.325966 
1 1 1 -24 0   31 o 50.923  3.6574  373.380   49.554    373.380   49.554    0.0000    0.0000    50.923  3.6574  ?       ?       ?              ?        
1 1 1 -24 0   32 o 21.777  4.7067  73.413    26.653    73.413    26.653    0.0000    0.0000    21.777  4.7067  ?       ?       ?              ?        
1 1 1 -24 0   33 o 37.954  2.4665  204.156   24.009    223.761   39.807    192.946   30.100    39.068  3.8543  36.839  3.0787  2.229275       4.932942 
1 1 1 -24 0   34 o 25.490  3.1412  101.565   19.172    93.540    33.456    105.489   23.393    23.999  5.3421  26.982  3.3061  -2.982786      6.282392 
1 1 1 -24 0   35 o 23.385  3.2728  83.640    18.554    93.730    33.335    79.111    22.332    23.808  5.3570  22.963  3.7611  0.8440323      6.545516 
1 1 1 -24 0   36 o 17.675  3.5076  47.640    16.285    67.428    29.567    39.023    19.511    19.782  5.4199  15.567  4.4540  4.214603       7.015216 
1 1 1 -24 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   7  o 34.347  1.7722  162.230   15.813    147.206   24.438    173.053   20.741    32.901  2.7997  35.792  2.1737  -2.890987      3.544447 
1 1 1 -24 1   8  o 114.136 2.6513  1779.67   80.636    1648.70   117.094   1897.80   111.208   110.017 3.9736  118.254 3.5110  -8.237068      5.302505 
1 1 1 -24 1   9  o 23.577  1.8679  80.154    10.850    58.356    16.762    95.872    14.234    20.532  3.1483  26.621  2.0111  -6.088678      3.735873 
1 1 1 -24 1   10 o 62.252  1.8688  523.376   30.993    521.256   46.231    525.106   41.770    62.111  2.7789  62.393  2.4994  -0.2815742     3.737548 
1 1 1 -24 1   11 o 74.854  2.0387  761.491   40.587    722.052   60.138    794.483   55.004    73.014  3.0750  76.693  2.6776  -3.678589      4.077437 
1 1 1 -24 1   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   13 o 26.887  1.8470  98.151    12.844    100.598   20.492    96.567    16.484    27.116  2.8648  26.658  2.3321  0.4577236      3.694005 
1 1 1 -24 1   14 o 25.972  1.9227  92.974    12.753    89.015    20.480    95.481    16.298    25.441  3.0673  26.504  2.3192  -1.063684      3.845420 
1 1 1 -24 1   15 f 52.667  1.9104  377.353   26.512    367.092   40.703    384.915   34.941    51.953  2.9370  53.382  2.4438  -1.428551      3.820766 
1 1 1 -24 1   16 o 23.884  2.0127  77.438    12.345    82.812    19.876    74.062    15.751    24.504  3.0975  23.263  2.5709  1.241013       4.025425 
1 1 1 -24 1   17 o 32.015  1.9583  140.121   16.314    138.864   25.556    140.986   21.195    31.832  3.0342  32.198  2.4766  -0.3658009     3.916588 
1 1 1 -24 1   18 o 34.976  1.9432  166.017   17.809    171.958   27.763    161.864   23.213    35.460  2.9499  34.492  2.5303  0.9676628      3.886391 
1 1 1 -24 1   19 f 52.001  1.9877  367.920   27.341    366.721   41.638    368.829   36.251    51.832  3.0122  52.170  2.5942  -0.3381042     3.975367 
1 1 1 -24 1   20 o 60.096  2.0527  491.658   32.739    494.660   49.406    489.307   43.714    60.165  3.0761  60.027  2.7188  0.1375237      4.105424 
1 1 1 -24 1   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   22 o 61.589  2.1206  521.084   34.546    501.379   52.152    536.490   46.114    60.407  3.2350  62.770  2.7428  -2.362553      4.241216 
1 1 1 -24 1   23 o 66.647  2.2183  615.885   38.978    565.203   58.583    656.145   52.213    63.966  3.4318  69.329  2.8117  -5.363171      4.436556 
1 1 1 -24 1   24 o 25.331  2.5037  95.455    15.357    71.944    24.567    110.536   19.675    22.308  4.2669  28.353  2.6205  -6.044556      5.007356 
1 1 1 -24 1   25 o 50.957  2.1102  356.177   28.345    371.175   43.871    345.429   37.138    51.776  3.1788  50.138  2.7762  1.638554       4.220447 
1 1 1 -24 1   26 o 44.169  2.7388  268.776   32.242    0.0000    0.0000    268.776   32.242    ?       ?       44.169  2.7388  ?              ?        
1 1 1 -24 1   27 o 27.311  2.9826  104.308   21.464    0.0000    0.0000    104.308   21.464    ?       ?       27.311  2.9826  ?              ?        
1 1 1 -24 1   28 o 29.183  2.9234  119.187   22.544    0.0000    0.0000    119.187   22.544    ?       ?       29.183  2.9234  ?              ?        
1 1 1 -24 1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 1   30 o 15.089  4.6520  34.437    20.668    34.437    20.668    0.0000    0.0000    15.089  4.6520  ?       ?       ?              ?        
1 1 1 -24 1   31 o 40.827  3.8020  242.328   41.098    242.328   41.098    0.0000    0.0000    40.827  3.8020  ?       ?       ?              ?        
1 1 1 -24 1   32 o 30.228  3.5930  146.675   26.757    161.392   34.280    123.728   42.806    33.102  3.9439  27.353  6.0070  5.748859       7.185997 
1 1 1 -24 1   33 o 12.991  3.2686  24.215    14.070    16.341    25.630    27.611    16.833    12.433  5.0080  13.549  4.2017  -1.115605      6.537183 
1 1 1 -24 1   34 o 11.493  3.1892  13.483    13.391    22.480    24.281    9.5506    16.053    13.023  4.9836  9.9625  3.9808  3.060585       6.378325 
1 1 1 -24 1   35 o 30.510  2.8712  138.865   21.528    149.156   37.498    133.805   26.293    30.750  4.7022  30.270  3.2961  0.4795475      5.742424 
1 1 1 -24 1   36 o 12.527  3.3937  18.677    14.900    34.961    27.298    11.766    17.783    14.630  5.3466  10.425  4.1812  4.204606       6.787398 
1 1 1 -24 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 2   7  o 65.113  3.3499  623.284   53.659    410.730   81.722    784.374   71.144    54.184  5.7173  76.042  3.4930  -21.85836      6.699879 
1 1 1 -24 2   8  o 32.092  1.7125  141.721   14.316    126.348   21.756    153.460   19.011    30.480  2.6926  33.704  2.1167  -3.223713      3.424935 
1 1 1 -24 2   9  o 46.752  1.7127  294.077   21.263    308.030   32.020    283.071   28.439    47.726  2.5137  45.778  2.3270  1.947365       3.425426 
1 1 1 -24 2   10 o 43.797  1.7118  258.945   19.832    262.951   30.169    255.897   26.317    44.069  2.5670  43.525  2.2652  0.5443649      3.423574 
1 1 1 -24 2   11 o 40.710  1.7859  228.542   18.894    202.999   29.135    247.081   24.821    38.645  2.8345  42.776  2.1735  -4.131477      3.571843 
1 1 1 -24 2   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 2   13 o 31.216  1.9685  140.309   15.237    104.578   23.982    164.495   19.731    27.554  3.3161  34.879  2.1221  -7.325129      3.936975 
1 1 1 -24 2   14 o 34.081  1.8276  153.156   16.302    191.842   25.740    127.243   21.066    37.589  2.5720  30.573  2.5971  7.015924       3.655129 
1 1 1 -24 2   15 o 71.701  2.0465  691.052   39.134    769.264   58.649    628.281   52.541    75.323  2.9070  68.079  2.8814  7.243927       4.093023 
1 1 1 -24 2   16 o 45.425  1.9084  280.413   22.878    280.268   34.906    280.523   30.292    45.367  2.8876  45.483  2.4961  -0.1152840     3.816843 
1 1 1 -24 2   17 o 56.297  1.9911  431.089   29.717    425.369   44.784    435.590   39.724    55.875  3.0034  56.719  2.6148  -0.8435669     3.982116 
1 1 1 -24 2   18 o 29.495  1.9833  117.262   15.319    131.699   23.849    107.121   19.988    31.006  2.9055  27.983  2.7002  3.022985       3.966515 
1 1 1 -24 2   19 o 40.197  1.9440  217.810   20.630    239.564   31.767    201.944   27.129    41.895  2.8478  38.500  2.6468  3.394356       3.887909 
1 1 1 -24 2   20 o 30.918  2.0871  132.341   16.688    125.921   26.076    136.794   21.718    30.183  3.2781  31.654  2.5841  -1.470226      4.174115 
1 1 1 -24 2   21 o 35.537  4.3239  178.029   40.309    178.029   40.309    0.0000    0.0000    35.537  4.3239  ?       ?       ?              ?        
1 1 1 -24 2   22 o 73.178  2.1975  729.731   42.877    767.575   64.346    699.507   57.505    74.823  3.2106  71.533  3.0013  3.289902       4.394987 
1 1 1 -24 2   23 o 32.679  2.4372  160.406   19.067    104.159   29.508    200.722   24.982    27.007  4.2170  38.350  2.4448  -11.34223      4.874474 
1 1 1 -24 2   24 f 21.552  2.5153  62.533    13.630    81.775    22.781    51.803    17.011    24.021  3.6562  19.082  3.4554  4.938751       5.030655 
1 1 1 -24 2   25 o 46.951  2.7388  303.109   34.293    0.0000    0.0000    303.109   34.293    ?       ?       46.951  2.7388  ?              ?        
1 1 1 -24 2   26 o 35.774  2.8207  177.152   26.809    0.0000    0.0000    177.152   26.809    ?       ?       35.774  2.8207  ?              ?        
1 1 1 -24 2   27 o 21.407  3.3082  65.281    18.357    0.0000    0.0000    65.281    18.357    ?       ?       21.407  3.3082  ?              ?        
1 1 1 -24 2   28 o 24.234  3.1842  87.432    17.590    87.511    34.431    87.405    20.462    23.627  5.5373  24.842  3.1458  -1.214943      6.368459 
1 1 1 -24 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 2   30 o 8.6569  3.9043  -6.7650   19.164    -6.7650   19.164    0.0000    0.0000    8.6569  3.9043  ?       ?       ?              ?        
1 1 1 -24 2   31 o 32.028  4.1941  152.608   35.115    152.608   35.115    0.0000    0.0000    32.028  4.1941  ?       ?       ?              ?        
1 1 1 -24 2   32 o 25.889  2.8769  97.349    18.318    108.972   31.856    91.608    22.390    26.650  4.6308  25.129  3.4150  1.521029       5.753855 
1 1 1 -24 2   33 o 29.232  2.8371  127.432   20.365    127.151   34.749    127.578   25.133    28.679  4.6855  29.786  3.2005  -1.106728      5.674279 
1 1 1 -24 2   34 o 27.744  3.1302  120.206   20.698    113.238   36.299    123.564   25.195    26.325  5.3308  29.163  3.2825  -2.838724      6.260405 
1 1 1 -24 2   35 o 13.079  2.9107  27.131    14.252    -15.5732  27.313    43.109    16.707    9.4278  4.3987  16.731  3.8131  -7.303119      5.821349 
1 1 1 -24 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 3   8  o 44.768  1.6953  269.224   20.165    287.629   30.295    254.582   27.020    46.126  2.4610  43.409  2.3324  2.717098       3.390687 
1 1 1 -24 3   9  o 92.779  2.2878  1174.07   56.461    1074.91   82.427    1261.72   77.497    88.987  3.4582  96.572  2.9960  -7.584671      4.575536 
1 1 1 -24 3   10 o 9.0643  2.0979  10.623    6.2838    2.7187    10.287    15.329    7.9368    7.6609  3.1403  10.468  2.7828  -2.806891      4.195895 
1 1 1 -24 3   11 o 28.891  1.7998  114.599   13.410    108.571   21.228    118.600   17.298    28.192  2.8504  29.590  2.1982  -1.398363      3.599583 
1 1 1 -24 3   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 3   13 o 36.808  1.7996  179.922   17.438    215.259   27.120    155.017   22.768    39.834  2.5553  33.781  2.5347  6.052856       3.599245 
1 1 1 -24 3   14 o 19.758  2.0697  53.149    10.460    58.903    16.595    49.356    13.473    20.610  3.1023  18.906  2.7405  1.704430       4.139389 
1 1 1 -24 3   15 o 26.009  1.9456  92.021    13.152    96.024    20.591    89.262    17.092    26.445  2.9577  25.573  2.5285  0.8721466      3.891151 
1 1 1 -24 3   16 o 91.537  2.3341  1139.58   57.123    1172.34   83.800    1111.15   78.071    92.729  3.3739  90.345  3.2263  2.383881       4.668217 
1 1 1 -24 3   17 o 63.229  2.1068  551.591   35.055    483.203   52.070    608.282   47.409    59.451  3.2827  67.006  2.6415  -7.555950      4.213514 
1 1 1 -24 3   18 o 47.558  1.9705  308.549   24.754    304.289   37.509    311.836   32.949    47.209  2.9817  47.908  2.5772  -0.6988831     3.941069 
1 1 1 -24 3   19 o 21.586  2.3022  64.978    12.633    64.899    19.932    65.032    16.332    21.486  3.5900  21.686  2.8832  -0.1999493     4.604483 
1 1 1 -24 3   20 o 38.211  2.5502  204.388   22.860    197.397   43.199    207.108   26.942    37.444  4.3906  38.978  2.5954  -1.533199      5.100335 
1 1 1 -24 3   21 o 48.732  2.4085  332.639   30.597    361.229   40.693    295.450   46.411    51.359  2.9708  46.106  3.7918  5.252956       4.816978 
1 1 1 -24 3   22 o 30.505  2.1593  126.763   17.125    138.645   27.190    118.952   22.046    31.620  3.2571  29.391  2.8357  2.228416       4.318523 
1 1 1 -24 3   23 o 16.624  2.7373  39.019    11.663    43.920    19.161    36.134    14.700    17.381  4.1693  15.867  3.5479  1.514376       5.474555 
1 1 1 -24 3   24 o 20.077  3.2722  56.980    16.990    0.0000    0.0000    56.980    16.990    ?       ?       20.077  3.2722  ?              ?        
1 1 1 -24 3   25 o 18.938  3.4347  51.264    16.781    0.0000    0.0000    51.264    16.781    ?       ?       18.938  3.4347  ?              ?        
1 1 1 -24 3   26 o 8.0533  3.3982  1.6571    12.558    0.0000    0.0000    1.6571    12.558    ?       ?       8.0533  3.3982  ?              ?        
1 1 1 -24 3   27 o 28.980  2.9579  117.601   22.638    0.0000    0.0000    117.601   22.638    ?       ?       28.980  2.9579  ?              ?        
1 1 1 -24 3   28 f 20.221  3.3289  61.978    17.707    71.103    26.010    54.096    24.175    21.663  4.6234  18.780  4.7906  2.882751       6.657795 
1 1 1 -24 3   29 o 46.481  3.6734  310.659   45.362    310.659   45.362    0.0000    0.0000    46.481  3.6734  ?       ?       ?              ?        
1 1 1 -24 3   30 f 24.565  4.7306  92.717    29.996    92.717    29.996    0.0000    0.0000    24.565  4.7306  ?       ?       ?              ?        
1 1 1 -24 3   31 o 11.725  3.1243  16.537    12.597    19.300    22.722    15.311    15.136    12.528  4.8146  10.922  3.9829  1.606009       6.248524 
1 1 1 -24 3   32 o 22.632  3.0375  71.286    16.917    102.547   30.149    56.921    20.437    25.880  4.5135  19.383  4.0661  6.496271       6.074914 
1 1 1 -24 3   33 o 39.148  2.4913  212.688   24.953    265.627   42.562    184.963   30.801    42.467  3.7814  35.830  3.2447  6.636765       4.982625 
1 1 1 -24 3   34 o 8.4546  2.7502  -7.5396   12.627    -7.0347   24.536    -7.7215   14.727    9.6207  4.3705  7.2886  3.3395  2.332137       5.500338 
1 1 1 -24 3   35 o 13.378  3.2578  29.017    14.732    9.7915    28.548    35.996    17.199    11.692  5.0342  15.064  4.1363  -3.372025      6.515534 
1 1 1 -24 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   8  o 43.272  1.6874  253.812   19.312    245.102   29.140    260.634   25.790    42.547  2.5691  43.997  2.1884  -1.449879      3.374805 
1 1 1 -24 4   9  o 59.727  1.8380  481.507   29.220    481.614   43.838    481.422   39.198    59.707  2.7412  59.747  2.4494  -0.4050064E-01 3.676065 
1 1 1 -24 4   10 o 59.697  1.8605  478.765   29.581    504.219   44.697    458.927   39.459    61.082  2.7320  58.312  2.5264  2.769733       3.721077 
1 1 1 -24 4   11 o 55.267  1.8888  414.725   27.621    402.981   41.803    423.825   36.798    54.494  2.8742  56.040  2.4515  -1.546478      3.777663 
1 1 1 -24 4   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   13 o 49.357  1.8706  328.996   24.496    343.009   36.989    318.048   32.694    50.265  2.7579  48.449  2.5281  1.815964       3.741292 
1 1 1 -24 4   14 o 29.110  1.8829  114.305   14.373    124.571   22.278    106.985   18.813    30.201  2.7855  28.019  2.5342  2.181723       3.765762 
1 1 1 -24 4   15 o 51.088  1.9074  351.579   25.886    384.998   38.984    325.225   34.619    53.236  2.7433  48.941  2.6508  4.294544       3.814749 
1 1 1 -24 4   16 o 40.038  1.9135  218.319   20.204    217.399   30.708    219.022   26.828    39.917  2.8918  40.158  2.5067  -0.2410355     3.827006 
1 1 1 -24 4   17 o 47.181  1.9449  301.739   24.328    314.264   36.734    291.954   32.469    48.019  2.8692  46.343  2.6265  1.675827       3.889811 
1 1 1 -24 4   18 o 10.700  2.5311  15.054    8.7207    7.9261    14.480    19.111    10.924    9.7191  3.8131  11.680  3.3296  -1.960968      5.062262 
1 1 1 -24 4   19 f 47.268  2.0580  309.606   25.421    278.415   38.693    333.293   33.719    45.028  3.2297  49.508  2.5515  -4.480316      4.115937 
1 1 1 -24 4   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   21 o 46.097  2.0677  292.487   24.998    284.085   38.571    298.572   32.824    45.422  3.1906  46.773  2.6307  -1.351837      4.135304 
1 1 1 -24 4   22 o 65.811  2.2109  596.893   38.462    582.820   58.482    607.619   51.058    64.955  3.3730  66.667  2.8593  -1.712578      4.421876 
1 1 1 -24 4   23 f 25.727  2.8850  91.767    19.538    0.0000    0.0000    91.767    19.538    ?       ?       25.727  2.8850  ?              ?        
1 1 1 -24 4   24 o 61.178  2.8426  513.953   46.580    0.0000    0.0000    513.953   46.580    ?       ?       61.178  2.8426  ?              ?        
1 1 1 -24 4   25 o 33.972  2.8496  159.960   25.689    0.0000    0.0000    159.960   25.689    ?       ?       33.972  2.8496  ?              ?        
1 1 1 -24 4   26 o 27.765  2.9937  107.952   21.911    0.0000    0.0000    107.952   21.911    ?       ?       27.765  2.9937  ?              ?        
1 1 1 -24 4   27 o 29.890  2.8661  130.876   21.677    167.021   31.202    97.154    30.138    34.288  3.4440  25.492  4.5823  8.795296       5.732259 
1 1 1 -24 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 4   29 o 21.084  4.8624  69.102    26.898    69.102    26.898    0.0000    0.0000    21.084  4.8624  ?       ?       ?              ?        
1 1 1 -24 4   30 o 17.173  3.2300  46.524    14.670    41.071    25.879    49.106    17.808    16.199  5.2340  18.146  3.7862  -1.946955      6.459924 
1 1 1 -24 4   31 o 14.724  3.3279  31.175    13.970    40.019    25.190    27.247    16.788    15.965  5.1644  13.483  4.1986  2.481940       6.655792 
1 1 1 -24 4   32 o 21.447  3.1381  67.974    16.658    81.756    29.029    61.207    20.341    22.726  4.9122  20.168  3.9065  2.557531       6.276182 
1 1 1 -24 4   33 o 29.416  3.2129  140.639   21.875    114.308   38.364    153.324   26.628    26.169  5.6396  32.663  3.0800  -6.494106      6.425858 
1 1 1 -24 4   34 o 25.364  3.0863  89.799    19.178    141.818   34.548    66.631    23.056    30.152  4.4080  20.576  4.3211  9.576342       6.172687 
1 1 1 -24 4   35 o 28.862  3.1386  131.199   21.737    137.091   38.611    128.464   26.301    28.412  5.2677  29.312  3.4139  -0.9002686     6.277201 
1 1 1 -24 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   8  o 32.970  1.7368  152.343   14.636    124.086   22.612    172.718   19.201    30.169  2.8313  35.772  2.0122  -5.602512      3.473510 
1 1 1 -24 5   9  o 21.558  1.8418  64.128    10.105    61.509    16.139    65.817    12.960    21.126  2.9311  21.991  2.2312  -0.8653622     3.683653 
1 1 1 -24 5   10 o 39.308  1.7520  206.753   18.201    229.529   28.019    190.124   23.941    41.151  2.5546  37.466  2.3983  3.684895       3.504000 
1 1 1 -24 5   11 o 43.618  1.7946  254.966   20.746    284.629   31.555    232.384   27.533    45.826  2.5813  41.410  2.4939  4.415936       3.589272 
1 1 1 -24 5   12 o 53.449  4.0492  393.477   57.539    393.477   57.539    0.0000    0.0000    53.449  4.0492  ?       ?       ?              ?        
1 1 1 -24 5   13 o 40.796  1.9033  229.570   20.303    203.837   30.623    249.755   27.121    38.649  2.9811  42.943  2.3670  -4.293545      3.806549 
1 1 1 -24 5   14 o 34.183  1.8940  160.414   16.964    150.526   25.708    168.040   22.577    33.183  2.9223  35.183  2.4103  -2.000793      3.788083 
1 1 1 -24 5   15 f 22.759  2.0516  68.945    11.796    98.061    18.501    49.002    15.311    26.788  2.6117  18.731  3.1646  8.057055       4.103151 
1 1 1 -24 5   16 o 39.224  1.9232  208.551   19.913    217.580   30.429    201.789   26.335    39.930  2.8642  38.518  2.5673  1.411850       3.846336 
1 1 1 -24 5   17 o 18.594  2.3836  49.268    11.143    45.484    17.715    51.746    14.334    17.873  3.8165  19.316  2.8566  -1.443045      4.767140 
1 1 1 -24 5   18 o 40.111  2.0043  220.462   21.098    215.832   32.422    223.863   27.785    39.673  3.0752  40.549  2.5715  -0.8764381     4.008669 
1 1 1 -24 5   19 o 18.406  2.5413  48.140    11.744    47.507    19.154    48.521    14.866    18.195  4.0359  18.618  3.0893  -0.4236984     5.082563 
1 1 1 -24 5   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   21 o 70.779  2.2773  694.773   42.491    646.026   64.227    732.713   56.663    68.338  3.5209  73.220  2.8892  -4.881683      4.554564 
1 1 1 -24 5   22 o 28.450  2.8265  111.760   21.254    0.0000    0.0000    111.760   21.254    ?       ?       28.450  2.8265  ?              ?        
1 1 1 -24 5   23 o 76.248  3.0822  800.887   62.947    0.0000    0.0000    800.887   62.947    ?       ?       76.248  3.0822  ?              ?        
1 1 1 -24 5   24 o 29.826  2.8784  123.479   22.710    0.0000    0.0000    123.479   22.710    ?       ?       29.826  2.8784  ?              ?        
1 1 1 -24 5   25 o 58.194  2.2470  470.480   34.353    476.498   53.728    466.319   44.678    58.269  3.4580  58.118  2.8701  0.1506004      4.493918 
1 1 1 -24 5   26 o 46.367  2.6136  307.688   31.928    325.681   43.518    286.713   46.987    48.057  3.4028  44.676  3.9679  3.380745       5.227180 
1 1 1 -24 5   27 o 50.227  3.5847  359.705   47.909    359.705   47.909    0.0000    0.0000    50.227  3.5847  ?       ?       ?              ?        
1 1 1 -24 5   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 5   29 o 39.348  2.4246  221.473   24.470    224.772   39.918    219.486   30.971    39.248  3.8465  39.447  2.9527  -0.1983757     4.849154 
1 1 1 -24 5   30 o 10.741  2.8597  11.939    12.715    -14.5524  22.876    23.781    15.295    8.7812  4.0729  12.700  4.0155  -3.919144      5.719460 
1 1 1 -24 5   31 o 16.199  3.1903  43.592    15.118    23.344    25.765    54.223    18.670    13.365  5.1291  19.032  3.7955  -5.667136      6.380665 
1 1 1 -24 5   32 o 40.141  2.6888  242.169   26.747    222.142   44.903    253.183   33.299    38.104  4.4855  42.178  2.9664  -4.074673      5.377650 
1 1 1 -24 5   33 o 19.046  3.4200  60.280    16.727    53.558    30.644    63.132    19.963    17.677  5.6939  20.416  3.7901  -2.739395      6.839984 
1 1 1 -24 5   34 o 11.910  3.0474  19.409    14.596    -15.0816  27.597    32.806    17.199    9.4532  4.4142  14.367  4.2027  -4.914240      6.094894 
1 1 1 -24 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 6   8  o 66.709  1.9768  602.650   35.044    593.926   52.761    609.537   46.878    66.235  2.9740  67.184  2.6050  -0.9490891     3.953585 
1 1 1 -24 6   9  o 8.5842  1.9970  9.6714    5.2982    6.9583    8.8448    11.190    6.6167    8.1629  3.0329  9.0056  2.5989  -0.8426676     3.994072 
1 1 1 -24 6   10 o 45.294  1.8089  273.076   21.599    342.384   32.752    219.739   28.732    50.363  2.4279  40.226  2.6821  10.13761       3.617774 
1 1 1 -24 6   11 o 22.477  2.4538  69.022    14.533    0.0000    0.0000    69.022    14.533    ?       ?       22.477  2.4538  ?              ?        
1 1 1 -24 6   12 f 45.761  1.8546  283.255   22.530    293.614   33.773    274.948   30.242    46.491  2.7240  45.031  2.5174  1.460049       3.709156 
1 1 1 -24 6   13 o 16.659  2.1975  37.810    9.3223    46.054    14.753    32.331    12.028    18.155  3.1480  15.163  3.0669  2.992520       4.394923 
1 1 1 -24 6   14 o 23.996  1.9514  77.201    12.160    93.083    19.005    66.193    15.823    26.061  2.7649  21.931  2.7544  4.129772       3.902724 
1 1 1 -24 6   15 o 22.470  2.0678  67.681    11.963    83.657    18.920    57.038    15.443    24.649  2.9226  20.290  2.9261  4.358839       4.135648 
1 1 1 -24 6   16 o 28.981  2.0693  117.377   15.360    105.297   23.997    125.760   19.991    27.583  3.3145  30.379  2.4785  -2.795748      4.138661 
1 1 1 -24 6   17 o 47.168  2.0179  305.042   25.039    294.174   38.224    313.211   33.138    46.348  3.0969  47.988  2.5877  -1.639854      4.035723 
1 1 1 -24 6   18 o 45.852  2.0020  285.353   24.210    299.582   37.391    275.082   31.767    46.778  3.0001  44.925  2.6517  1.852886       4.004053 
1 1 1 -24 6   19 o 24.047  2.7956  79.778    17.671    0.0000    0.0000    79.778    17.671    ?       ?       24.047  2.7956  ?              ?        
1 1 1 -24 6   20 o 33.996  2.6668  158.337   24.089    0.0000    0.0000    158.337   24.089    ?       ?       33.996  2.6668  ?              ?        
1 1 1 -24 6   21 o 49.812  2.6988  339.614   35.873    0.0000    0.0000    339.614   35.873    ?       ?       49.812  2.6988  ?              ?        
1 1 1 -24 6   22 o 18.600  3.3545  49.179    16.097    0.0000    0.0000    49.179    16.097    ?       ?       18.600  3.3545  ?              ?        
1 1 1 -24 6   23 o 39.521  2.7199  215.129   28.616    0.0000    0.0000    215.129   28.616    ?       ?       39.521  2.7199  ?              ?        
1 1 1 -24 6   24 o 34.960  2.3927  176.549   21.001    153.500   33.937    190.854   26.735    32.749  3.9485  37.172  2.7038  -4.422367      4.785479 
1 1 1 -24 6   25 o 42.199  3.5931  252.428   40.226    252.428   40.226    0.0000    0.0000    42.199  3.5931  ?       ?       ?              ?        
1 1 1 -24 6   26 o 39.139  3.6526  219.060   37.849    219.060   37.849    0.0000    0.0000    39.139  3.6526  ?       ?       ?              ?        
1 1 1 -24 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 6   28 o 38.287  2.3333  202.124   23.132    242.688   38.073    178.388   29.124    41.107  3.4909  35.468  3.0968  5.639347       4.666534 
1 1 1 -24 6   29 o 13.065  3.1329  25.399    13.441    11.899    23.962    31.596    16.236    11.680  4.7909  14.451  4.0383  -2.770885      6.265806 
1 1 1 -24 6   30 o 13.522  3.1438  20.262    13.068    47.316    23.829    8.6263    15.627    17.268  4.9160  9.7760  3.9201  7.492085       6.287594 
1 1 1 -24 6   31 f 14.516  2.9664  20.016    13.430    64.920    24.450    0.6150    16.071    20.359  4.5929  8.6724  3.7554  11.68673       5.932804 
1 1 1 -24 6   32 o 17.168  3.5428  46.177    16.323    53.531    29.703    42.995    19.537    17.801  5.5916  16.536  4.3520  1.264936       7.085604 
1 1 1 -24 6   33 o 15.915  3.3014  44.218    15.553    24.257    29.111    52.191    18.399    13.418  5.3610  18.413  3.8543  -4.994460      6.602739 
1 1 1 -24 6   34 o 13.525  3.4434  27.950    14.828    32.611    28.071    26.146    17.463    14.173  5.3740  12.876  4.3068  1.297155       6.886842 
1 1 1 -24 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   7  o 80.584  2.9905  902.882   63.385    761.015   92.201    1030.01   87.281    74.237  4.6605  86.931  3.7485  -12.69389      5.980904 
1 1 1 -24 7   8  o 11.946  2.0894  19.077    6.5177    25.135    10.723    15.528    8.2079    13.356  3.0627  10.536  2.8428  2.820200       4.178728 
1 1 1 -24 7   9  o 86.996  2.2615  1027.66   52.567    1029.18   77.103    1026.33   71.854    87.015  3.3082  86.978  3.0843  0.3672028E-01  4.522958 
1 1 1 -24 7   10 f 47.433  1.8615  304.308   23.428    313.521   35.236    297.009   31.364    48.049  2.7493  46.817  2.5103  1.232174       3.722960 
1 1 1 -24 7   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   12 o 52.748  1.9327  377.796   27.045    375.496   40.697    379.615   36.194    52.526  2.9039  52.970  2.5510  -0.4435654     3.865304 
1 1 1 -24 7   13 o 35.575  1.9267  174.625   17.860    160.167   27.378    185.335   23.564    34.199  3.0198  36.951  2.3937  -2.751930      3.853419 
1 1 1 -24 7   14 o 30.311  1.9054  124.683   15.145    131.133   23.405    120.036   19.866    30.949  2.8556  29.672  2.5235  1.276800       3.810819 
1 1 1 -24 7   15 o 32.853  1.9840  148.601   16.966    142.036   26.281    153.292   22.216    32.150  3.0899  33.556  2.4895  -1.405659      3.968055 
1 1 1 -24 7   16 o 27.594  2.1115  105.871   14.917    100.073   23.612    109.722   19.244    26.854  3.3560  28.335  2.5633  -1.480742      4.222975 
1 1 1 -24 7   17 o 12.252  2.6542  20.734    9.3423    20.045    15.401    21.134    11.751    12.262  4.0423  12.243  3.4406  0.1889324E-01  5.308333 
1 1 1 -24 7   18 o 31.790  2.6319  138.284   22.209    0.0000    0.0000    138.284   22.209    ?       ?       31.790  2.6319  ?              ?        
1 1 1 -24 7   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   20 o 30.846  2.6874  130.738   21.982    0.0000    0.0000    130.738   21.982    ?       ?       30.846  2.6874  ?              ?        
1 1 1 -24 7   21 o 42.330  2.6787  245.816   30.215    0.0000    0.0000    245.816   30.215    ?       ?       42.330  2.6787  ?              ?        
1 1 1 -24 7   22 o 5.3195  2.5028  -9.6041   9.1601    0.0000    0.0000    -9.6041   9.1601    ?       ?       5.3195  2.5028  ?              ?        
1 1 1 -24 7   23 o 25.058  2.4959  85.653    15.912    107.196   26.151    72.987    20.052    27.450  3.6470  22.666  3.4084  4.784637       4.991795 
1 1 1 -24 7   24 o 34.112  3.7660  166.150   33.836    166.150   33.836    0.0000    0.0000    34.112  3.7660  ?       ?       ?              ?        
1 1 1 -24 7   25 o 29.389  3.9681  125.383   30.437    125.383   30.437    0.0000    0.0000    29.389  3.9681  ?       ?       ?              ?        
1 1 1 -24 7   26 o 14.172  4.8444  29.022    22.100    29.022    22.100    0.0000    0.0000    14.172  4.8444  ?       ?       ?              ?        
1 1 1 -24 7   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 7   28 o 48.750  2.3215  328.889   29.471    389.251   48.179    292.799   37.254    52.048  3.4760  45.452  3.0782  6.595051       4.643005 
1 1 1 -24 7   29 o 11.929  3.1314  15.825    12.036    27.532    23.566    11.693    14.000    13.829  4.9807  10.028  3.7970  3.800708       6.262891 
1 1 1 -24 7   30 o 29.337  2.8111  126.252   20.237    134.244   35.267    122.328   24.711    29.531  4.6093  29.143  3.2194  0.3876877      5.622235 
1 1 1 -24 7   31 o 30.976  3.0947  152.127   22.663    129.646   38.924    163.656   27.875    28.221  5.3451  33.732  3.1205  -5.511057      6.189376 
1 1 1 -24 7   32 o 15.462  3.3727  40.022    15.530    28.204    27.621    45.484    18.779    13.889  5.3153  17.036  4.1532  -3.147021      6.745412 
1 1 1 -24 7   33 o 9.6497  2.9631  1.1405    12.979    13.237    24.187    -3.7515   15.381    11.469  4.7691  7.8306  3.5178  3.638122       5.926125 
1 1 1 -24 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 8   6  o 54.685  2.6319  419.011   37.201    358.941   57.131    463.232   49.018    51.017  4.2187  58.353  3.1478  -7.336437      5.263705 
1 1 1 -24 8   7  o 46.107  1.8420  288.707   22.515    283.545   33.579    292.924   30.348    45.698  2.7563  46.517  2.4443  -0.8194580     3.683976 
1 1 1 -24 8   8  o 31.676  1.8182  135.803   15.170    141.773   23.163    131.320   20.074    32.260  2.7056  31.092  2.4297  1.167948       3.636427 
1 1 1 -24 8   9  o 38.096  1.8605  196.716   18.687    201.031   28.587    193.497   24.694    38.425  2.7967  37.766  2.4544  0.6590080      3.721021 
1 1 1 -24 8   10 o 76.564  4.3572  810.310   88.987    0.0000    0.0000    810.310   88.987    ?       ?       76.564  4.3572  ?              ?        
1 1 1 -24 8   11 o 72.382  2.1484  714.301   41.374    690.410   61.579    733.962   55.862    71.207  3.2286  73.557  2.8353  -2.350189      4.296896 
1 1 1 -24 8   12 o 8.5760  2.1978  8.4157    6.4605    5.2247    10.820    10.184    8.0539    8.2942  3.2827  8.8578  2.9233  -0.5635900     4.395680 
1 1 1 -24 8   13 o 20.641  2.1312  59.410    11.147    57.670    17.667    60.561    14.367    20.297  3.3678  20.984  2.6127  -0.6874046     4.262471 
1 1 1 -24 8   14 o 54.850  2.0148  409.800   29.247    407.252   44.454    411.745   38.835    54.601  3.0518  55.100  2.6314  -0.4995346     4.029629 
1 1 1 -24 8   15 o 36.853  2.0248  187.640   19.355    176.535   30.298    195.296   25.158    35.824  3.1910  37.882  2.4934  -2.058311      4.049591 
1 1 1 -24 8   16 o 37.371  2.5782  190.443   25.649    0.0000    0.0000    190.443   25.649    ?       ?       37.371  2.5782  ?              ?        
1 1 1 -24 8   17 o 37.511  2.6071  192.117   26.031    0.0000    0.0000    192.117   26.031    ?       ?       37.511  2.6071  ?              ?        
1 1 1 -24 8   18 o 43.085  2.6606  253.674   30.553    0.0000    0.0000    253.674   30.553    ?       ?       43.085  2.6606  ?              ?        
1 1 1 -24 8   19 o 25.324  2.8149  88.647    18.771    0.0000    0.0000    88.647    18.771    ?       ?       25.324  2.8149  ?              ?        
1 1 1 -24 8   20 o 17.403  3.3124  43.088    14.876    0.0000    0.0000    43.088    14.876    ?       ?       17.403  3.3124  ?              ?        
1 1 1 -24 8   21 o 28.301  2.4949  118.519   17.164    93.405    27.835    133.927   21.803    25.420  4.2373  31.182  2.6351  -5.762152      4.989885 
1 1 1 -24 8   22 o 28.447  2.7338  115.578   20.202    103.136   28.063    128.961   29.105    26.755  4.0419  30.139  3.6819  -3.383984      5.467504 
1 1 1 -24 8   23 o 15.338  4.7510  34.653    21.528    34.653    21.528    0.0000    0.0000    15.338  4.7510  ?       ?       ?              ?        
1 1 1 -24 8   24 o 44.351  3.5421  279.117   41.726    279.117   41.726    0.0000    0.0000    44.351  3.5421  ?       ?       ?              ?        
1 1 1 -24 8   25 o 52.293  2.2654  380.408   31.124    415.525   49.074    356.777   40.257    54.125  3.4024  50.461  2.9918  3.663723       4.530718 
1 1 1 -24 8   26 o 17.747  3.7195  46.668    17.115    0.0000    0.0000    46.668    17.115    ?       ?       17.747  3.7195  ?              ?        
1 1 1 -24 8   27 o 44.320  2.4093  284.151   27.311    271.149   44.275    292.137   34.700    43.059  3.8806  45.581  2.8566  -2.522869      4.818652 
1 1 1 -24 8   28 o 12.470  3.1466  21.130    12.426    21.650    23.410    20.927    14.662    12.913  4.9049  12.027  3.9431  0.8865452      6.293275 
1 1 1 -24 8   29 f 15.778  3.3455  36.729    14.497    47.478    25.650    31.684    17.572    17.171  5.1602  14.385  4.2594  2.786111       6.691074 
1 1 1 -24 8   30 o 28.804  2.7565  116.448   19.831    151.243   34.738    99.624    24.154    31.598  4.2091  26.010  3.5606  5.588255       5.513066 
1 1 1 -24 8   31 o 22.688  3.1587  74.453    17.586    103.426   31.524    61.364    21.189    25.452  4.8001  19.923  4.1071  5.529015       6.317371 
1 1 1 -24 8   32 o 9.1632  2.7331  2.7649    12.506    -30.8514  25.123    13.838    14.419    7.9984  3.8648  10.328  3.8655  -2.329567      5.466138 
1 1 1 -24 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 9   6  o 16.684  1.9881  40.075    8.3044    31.368    12.669    46.635    10.996    14.910  3.2629  18.457  2.2723  -3.546886      3.976184 
1 1 1 -24 9   7  o 34.419  1.8904  163.995   16.924    144.014   25.627    179.447   22.537    32.450  2.9819  36.388  2.3244  -3.938732      3.780820 
1 1 1 -24 9   8  o 49.518  1.9837  336.594   25.820    308.297   39.075    358.527   34.401    47.540  3.0853  51.497  2.4940  -3.957077      3.967320 
1 1 1 -24 9   9  o ?       ?       189.463   126284.40 0.0000    0.0000    189.463   126284.40 ?       ?       ?       ?       ?              ?        
1 1 1 -24 9   10 o 30.240  2.2042  135.406   16.050    89.744    24.976    167.522   20.947    25.327  3.7990  35.153  2.2363  -9.826599      4.408316 
1 1 1 -24 9   11 o 40.026  1.9800  221.466   20.605    202.342   31.887    235.175   26.999    38.427  3.1251  41.625  2.4322  -3.197174      3.960025 
1 1 1 -24 9   12 f 56.884  2.7995  479.680   36.545    377.040   67.788    521.733   43.390    51.730  4.9529  62.038  2.6112  -10.30811      5.599096 
1 1 1 -24 9   13 o 15.588  2.9288  34.096    11.779    0.0000    0.0000    34.096    11.779    ?       ?       15.588  2.9288  ?              ?        
1 1 1 -24 9   14 o 35.155  2.5414  168.446   23.769    0.0000    0.0000    168.446   23.769    ?       ?       35.155  2.5414  ?              ?        
1 1 1 -24 9   15 o 53.636  2.6769  390.997   38.457    0.0000    0.0000    390.997   38.457    ?       ?       53.636  2.6769  ?              ?        
1 1 1 -24 9   16 o 27.332  2.6926  102.582   19.456    0.0000    0.0000    102.582   19.456    ?       ?       27.332  2.6926  ?              ?        
1 1 1 -24 9   17 o 39.470  2.6238  212.945   27.581    0.0000    0.0000    212.945   27.581    ?       ?       39.470  2.6238  ?              ?        
1 1 1 -24 9   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 9   19 o 10.198  2.6444  10.129    9.1185    18.514    15.840    5.9738    11.152    11.914  4.1003  8.4821  3.3404  3.431921       5.288748 
1 1 1 -24 9   20 o 26.156  2.7801  99.066    18.477    77.416    26.241    120.356   26.021    23.025  4.4156  29.288  3.3791  -6.262772      5.560146 
1 1 1 -24 9   21 o 45.369  3.3998  288.059   41.014    288.059   41.014    0.0000    0.0000    45.369  3.3998  ?       ?       ?              ?        
1 1 1 -24 9   22 o 29.152  3.8850  122.092   29.581    122.092   29.581    0.0000    0.0000    29.152  3.8850  ?       ?       ?              ?        
1 1 1 -24 9   23 o 17.672  4.6331  47.270    22.199    47.270    22.199    0.0000    0.0000    17.672  4.6331  ?       ?       ?              ?        
1 1 1 -24 9   24 o 31.164  2.3652  134.585   18.936    154.729   31.194    122.829   23.830    32.830  3.6069  29.498  3.0606  3.332264       4.730418 
1 1 1 -24 9   25 o 30.954  2.5320  138.391   19.790    137.890   32.541    138.686   24.930    30.587  4.0732  31.321  3.0086  -0.7342720     5.063902 
1 1 1 -24 9   26 o 26.750  5.4719  114.567   37.884    114.567   37.884    0.0000    0.0000    26.750  5.4719  ?       ?       ?              ?        
1 1 1 -24 9   27 o 28.642  2.6752  119.303   19.029    125.534   32.439    116.034   23.496    28.819  4.3368  28.466  3.1335  0.3530273      5.350432 
1 1 1 -24 9   28 o 10.306  2.9459  4.0472    11.906    23.081    22.222    -3.6152   14.100    12.983  4.8106  7.6288  3.4017  5.353816       5.891813 
1 1 1 -24 9   29 o 33.322  2.7618  168.556   22.458    153.009   37.959    176.928   27.857    31.426  4.6500  35.218  2.9811  -3.792713      5.523552 
1 1 1 -24 9   30 o 20.693  3.3948  66.499    17.436    76.239    31.238    62.091    21.015    21.282  5.4549  20.105  4.0425  1.176630       6.789505 
1 1 1 -24 9   31 o 13.538  3.4513  25.520    14.589    36.975    28.169    21.321    17.054    15.033  5.4408  12.044  4.2476  2.988436       6.902530 
1 1 1 -24 9   32 f 12.441  3.1424  9.0930    13.682    52.400    26.276    -7.0179   16.026    17.273  5.2300  7.6084  3.4852  9.664867       6.284832 
1 1 1 -24 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 10  4  o 61.363  3.7267  516.350   60.961    0.0000    0.0000    516.350   60.961    ?       ?       61.363  3.7267  ?              ?        
1 1 1 -24 10  5  o 72.586  2.7650  713.737   53.758    0.0000    0.0000    713.737   53.758    ?       ?       72.586  2.7650  ?              ?        
1 1 1 -24 10  6  o 43.713  2.4540  259.083   28.616    0.0000    0.0000    259.083   28.616    ?       ?       43.713  2.4540  ?              ?        
1 1 1 -24 10  7  o 60.638  2.7159  498.243   44.111    0.0000    0.0000    498.243   44.111    ?       ?       60.638  2.7159  ?              ?        
1 1 1 -24 10  8  o 50.063  2.6087  340.325   34.860    0.0000    0.0000    340.325   34.860    ?       ?       50.063  2.6087  ?              ?        
1 1 1 -24 10  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 10  10 o 36.564  2.5129  181.882   24.461    0.0000    0.0000    181.882   24.461    ?       ?       36.564  2.5129  ?              ?        
1 1 1 -24 10  11 o 26.879  2.5163  98.716    17.906    0.0000    0.0000    98.716    17.906    ?       ?       26.879  2.5163  ?              ?        
1 1 1 -24 10  12 o 41.286  2.5262  231.911   27.802    0.0000    0.0000    231.911   27.802    ?       ?       41.286  2.5262  ?              ?        
1 1 1 -24 10  13 o 59.070  2.7301  474.316   43.195    0.0000    0.0000    474.316   43.195    ?       ?       59.070  2.7301  ?              ?        
1 1 1 -24 10  14 o 21.422  2.7725  63.447    15.535    0.0000    0.0000    63.447    15.535    ?       ?       21.422  2.7725  ?              ?        
1 1 1 -24 10  15 o 40.212  2.6109  220.764   27.969    0.0000    0.0000    220.764   27.969    ?       ?       40.212  2.6109  ?              ?        
1 1 1 -24 10  16 o 56.334  2.7289  432.685   41.176    0.0000    0.0000    432.685   41.176    ?       ?       56.334  2.7289  ?              ?        
1 1 1 -24 10  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 10  18 o 30.769  2.5237  133.675   20.174    153.620   28.516    113.689   28.545    33.227  3.2455  28.310  3.8655  4.917185       5.047343 
1 1 1 -24 10  19 o 26.567  3.8014  100.508   26.279    100.508   26.279    0.0000    0.0000    26.567  3.8014  ?       ?       ?              ?        
1 1 1 -24 10  20 o 21.275  4.3452  66.551    23.924    66.551    23.924    0.0000    0.0000    21.275  4.3452  ?       ?       ?              ?        
1 1 1 -24 10  21 o 32.338  3.6929  148.945   31.412    148.945   31.412    0.0000    0.0000    32.338  3.6929  ?       ?       ?              ?        
1 1 1 -24 10  22 f 14.007  2.9263  30.121    12.083    17.289    20.834    36.624    14.832    12.190  4.6279  15.823  3.5828  -3.633159      5.852653 
1 1 1 -24 10  23 o 21.591  2.8592  71.785    15.108    59.078    25.189    78.925    18.881    19.593  4.8304  23.588  3.0605  -3.995289      5.718330 
1 1 1 -24 10  24 o 8.4244  2.4883  1.5524    10.113    -22.5707  19.462    10.474    11.836    7.3966  3.5287  9.4522  3.5092  -2.055633      4.976530 
1 1 1 -24 10  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 10  26 o 29.324  2.5704  119.740   19.020    148.593   32.678    104.959   23.389    31.689  3.9346  26.958  3.3087  4.731102       5.140874 
1 1 1 -24 10  27 o 14.743  3.1678  25.777    13.212    56.649    24.993    13.804    15.564    18.838  4.9050  10.647  4.0099  8.190871       6.335513 
1 1 1 -24 10  28 o 30.191  2.7652  135.126   20.421    137.502   35.450    133.946   24.982    29.836  4.5824  30.546  3.0961  -0.7099228     5.530347 
1 1 1 -24 10  29 o 28.962  2.9053  125.424   20.525    133.221   35.947    121.653   25.001    29.030  4.7902  28.894  3.2891  0.1365280      5.810687 
1 1 1 -24 10  30 o 13.419  3.2284  28.994    14.454    10.590    27.623    35.932    16.961    11.720  4.9966  15.118  4.0896  -3.397940      6.456850 
1 1 1 -24 10  31 o 13.319  3.3588  27.794    14.531    26.266    26.503    28.450    17.375    13.279  5.1729  13.360  4.2857  -0.8112240E-01 6.717624 
1 1 1 -24 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 11  3  o 15.901  2.3376  34.865    9.6587    0.0000    0.0000    34.865    9.6587    ?       ?       15.901  2.3376  ?              ?        
1 1 1 -24 11  4  o 14.722  2.6618  30.234    10.110    0.0000    0.0000    30.234    10.110    ?       ?       14.722  2.6618  ?              ?        
1 1 1 -24 11  5  o 43.628  2.4274  258.166   28.253    0.0000    0.0000    258.166   28.253    ?       ?       43.628  2.4274  ?              ?        
1 1 1 -24 11  6  f 66.146  2.7757  593.616   49.177    0.0000    0.0000    593.616   49.177    ?       ?       66.146  2.7757  ?              ?        
1 1 1 -24 11  7  o 22.357  2.5857  68.591    15.198    0.0000    0.0000    68.591    15.198    ?       ?       22.357  2.5857  ?              ?        
1 1 1 -24 11  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 11  9  o 71.928  2.9479  704.083   56.792    0.0000    0.0000    704.083   56.792    ?       ?       71.928  2.9479  ?              ?        
1 1 1 -24 11  10 o 18.958  2.7504  49.802    13.559    0.0000    0.0000    49.802    13.559    ?       ?       18.958  2.7504  ?              ?        
1 1 1 -24 11  11 o 23.408  2.6203  75.276    16.148    0.0000    0.0000    75.276    16.148    ?       ?       23.408  2.6203  ?              ?        
1 1 1 -24 11  12 o 30.616  2.5870  128.153   21.016    0.0000    0.0000    128.153   21.016    ?       ?       30.616  2.5870  ?              ?        
1 1 1 -24 11  13 o 40.397  2.6848  214.034   24.050    252.306   51.946    203.592   27.133    42.184  4.6761  38.610  2.6395  3.574200       5.369645 
1 1 1 -24 11  14 f 36.221  2.0392  173.985   19.236    213.357   31.189    149.814   24.437    39.404  2.9770  33.037  2.7876  6.366608       4.078433 
1 1 1 -24 11  15 f 41.510  2.1228  238.220   22.876    231.454   36.188    242.723   29.524    40.886  3.3335  42.133  2.6293  -1.247437      4.245613 
1 1 1 -24 11  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 11  17 o 102.223 3.9751  1464.14   108.839   1464.14   108.839   0.0000    0.0000    102.223 3.9751  ?       ?       ?              ?        
1 1 1 -24 11  18 o 8.3968  3.6598  -1.8063   15.467    -1.8063   15.467    0.0000    0.0000    8.3968  3.6598  ?       ?       ?              ?        
1 1 1 -24 11  19 o 26.084  3.9879  98.006    26.976    98.006    26.976    0.0000    0.0000    26.084  3.9879  ?       ?       ?              ?        
1 1 1 -24 11  20 o 38.788  2.9286  214.394   29.123    206.613   36.899    227.248   47.426    38.153  3.6555  39.422  4.5766  -1.268936      5.857289 
1 1 1 -24 11  21 o 23.202  2.7239  80.275    15.513    70.949    25.559    85.714    19.520    21.745  4.5351  24.659  3.0183  -2.913713      5.447701 
1 1 1 -24 11  22 o 14.607  2.8775  26.193    11.564    51.214    20.806    15.007    13.911    18.436  4.2933  10.778  3.8325  7.658579       5.755050 
1 1 1 -24 11  23 o 22.406  2.7449  72.700    15.325    79.596    25.676    68.883    19.100    22.989  4.3287  21.824  3.3765  1.164160       5.489859 
1 1 1 -24 11  24 o 11.004  3.8167  16.498    13.737    0.0000    0.0000    16.498    13.737    ?       ?       11.004  3.8167  ?              ?        
1 1 1 -24 11  25 o 25.845  2.7274  95.928    17.429    109.448   30.243    89.205    21.327    26.856  4.3533  24.835  3.2868  2.020834       5.454806 
1 1 1 -24 11  26 o 22.417  3.0608  79.602    16.635    68.807    28.720    85.053    20.407    20.591  5.2047  24.243  3.2226  -3.651548      6.121598 
1 1 1 -24 11  27 o 19.463  3.1722  67.733    16.576    31.914    29.004    85.106    20.199    14.686  5.4852  24.241  3.1884  -9.554675      6.344491 
1 1 1 -24 11  28 o 14.559  3.2874  34.813    15.076    17.570    27.331    42.354    18.075    12.602  5.1368  16.517  4.1038  -3.914320      6.574787 
1 1 1 -24 11  29 o 11.659  3.0319  6.9544    12.752    41.549    23.897    -6.8175   15.078    15.863  5.0196  7.4549  3.4018  8.407866       6.063727 
1 1 1 -24 11  30 o 10.629  2.7979  11.570    13.157    -25.3704  23.920    27.595    15.754    8.0292  3.8523  13.228  4.0588  -5.198854      5.595883 
1 1 1 -24 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 12  2  o 48.334  2.3629  322.928   28.917    329.256   36.019    311.454   48.502    49.191  2.7447  47.477  3.8471  1.713428       4.725869 
1 1 1 -24 12  3  f 40.282  1.8012  221.214   19.088    216.678   29.231    224.587   25.204    39.868  2.7542  40.695  2.3219  -0.8265610     3.602343 
1 1 1 -24 12  4  o 49.756  2.1440  330.808   26.755    359.908   47.338    317.148   32.433    51.183  3.4735  48.329  2.5141  2.854305       4.287902 
1 1 1 -24 12  5  o 35.740  1.6892  173.486   16.064    164.130   22.450    183.302   22.995    34.740  2.4280  36.739  2.3491  -1.999416      3.378334 
1 1 1 -24 12  6  o ?       ?       198.560   194164.80 0.0000    0.0000    198.560   194164.80 ?       ?       ?       ?       ?              ?        
1 1 1 -24 12  7  o 23.859  2.1841  77.745    13.059    75.108    16.198    82.640    22.072    23.386  2.6316  24.331  3.4865  -0.9449539     4.368205 
1 1 1 -24 12  8  o 40.770  1.8416  226.383   20.002    220.365   28.038    232.619   28.542    40.213  2.6173  41.327  2.5916  -1.114254      3.683288 
1 1 1 -24 12  9  o 32.553  1.8269  144.686   15.793    140.058   22.234    149.398   22.436    32.016  2.6156  33.089  2.5512  -1.072319      3.653705 
1 1 1 -24 12  10 o 33.694  1.8487  155.197   16.540    161.234   23.313    149.080   23.469    34.374  2.5503  33.014  2.6771  1.359787       3.697436 
1 1 1 -24 12  11 o 31.257  1.8636  133.942   15.426    141.169   21.642    126.477   21.994    32.147  2.5340  30.368  2.7333  1.779184       3.727201 
1 1 1 -24 12  12 o 21.130  2.3899  63.044    12.526    63.894    15.694    61.553    20.791    21.481  2.7937  20.779  3.8783  0.7022610      4.779757 
1 1 1 -24 12  13 o 54.585  2.7573  407.349   40.183    407.349   40.183    0.0000    0.0000    54.585  2.7573  ?       ?       ?              ?        
1 1 1 -24 12  14 o 30.055  2.6216  124.002   20.893    124.002   20.893    0.0000    0.0000    30.055  2.6216  ?       ?       ?              ?        
1 1 1 -24 12  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 12  16 o 83.408  3.2012  960.535   71.517    960.535   71.517    0.0000    0.0000    83.408  3.2012  ?       ?       ?              ?        
1 1 1 -24 12  17 o 19.988  3.0647  56.299    15.884    56.299    15.884    0.0000    0.0000    19.988  3.0647  ?       ?       ?              ?        
1 1 1 -24 12  18 f 26.551  2.0367  98.638    14.163    108.657   19.905    88.364    20.157    28.003  2.6868  25.099  3.0618  2.903629       4.073483 
1 1 1 -24 12  19 o 13.302  2.6188  25.769    9.6772    25.027    13.823    26.481    13.552    13.126  3.7468  13.478  3.6597  -0.3525524     5.237516 
1 1 1 -24 12  20 o 38.607  1.9442  207.164   19.961    198.409   28.113    216.065   28.346    37.755  2.8000  39.459  2.6981  -1.704372      3.888406 
1 1 1 -24 12  21 o 20.073  2.3544  58.408    12.151    63.954    16.912    52.491    17.468    21.186  3.0697  18.960  3.5708  2.226448       4.708869 
1 1 1 -24 12  22 f 21.801  2.3223  68.565    12.988    56.291    18.016    81.850    18.743    19.599  3.5630  24.003  2.9794  -4.403315      4.644569 
1 1 1 -24 12  23 o 9.9249  2.4554  11.090    8.9286    21.409    12.378    -0.1020   12.892    12.068  3.5752  7.7818  3.3666  4.286203       4.910830 
1 1 1 -24 12  24 o 18.801  3.4510  52.057    16.738    52.057    16.738    0.0000    0.0000    18.801  3.4510  ?       ?       ?              ?        
1 1 1 -24 12  25 o 37.576  2.8071  199.920   25.014    233.726   48.164    187.434   29.272    38.914  4.7174  36.238  3.0439  2.675690       5.614216 
1 1 1 -24 12  26 o 7.0939  2.3644  -12.3541  10.399    -12.7704  19.426    -12.1869  12.311    8.0694  3.7464  6.1183  2.8856  1.951106       4.728875 
1 1 1 -24 12  27 o 12.450  3.2960  18.184    13.937    32.316    25.306    12.032    16.698    14.467  5.1665  10.433  4.0943  4.033934       6.592098 
1 1 1 -24 12  28 o 20.754  3.2565  61.777    16.794    96.336    30.403    46.599    20.147    24.420  4.8193  17.088  4.3812  7.331419       6.513087 
1 1 1 -24 12  29 o 7.4048  2.4586  -10.8531  10.862    -8.9878   20.783    -11.5541  12.741    8.5574  3.9379  6.2522  2.9447  2.305194       4.917167 
1 1 1 -24 13  1  o 33.659  2.3811  154.096   21.328    154.096   21.328    0.0000    0.0000    33.659  2.3811  ?       ?       ?              ?        
1 1 1 -24 13  2  o 35.878  2.3577  174.943   22.530    174.943   22.530    0.0000    0.0000    35.878  2.3577  ?       ?       ?              ?        
1 1 1 -24 13  3  o 53.300  2.4919  385.018   35.574    385.018   35.574    0.0000    0.0000    53.300  2.4919  ?       ?       ?              ?        
1 1 1 -24 13  4  o 47.288  2.4567  303.802   31.010    303.802   31.010    0.0000    0.0000    47.288  2.4567  ?       ?       ?              ?        
1 1 1 -24 13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 13  6  o 23.204  2.5585  73.916    15.638    73.916    15.638    0.0000    0.0000    23.204  2.5585  ?       ?       ?              ?        
1 1 1 -24 13  7  f 32.915  2.5151  147.818   22.006    147.818   22.006    0.0000    0.0000    32.915  2.5151  ?       ?       ?              ?        
1 1 1 -24 13  8  o 34.187  2.5590  159.556   23.262    159.556   23.262    0.0000    0.0000    34.187  2.5590  ?       ?       ?              ?        
1 1 1 -24 13  9  f 34.911  2.5806  166.488   23.960    166.488   23.960    0.0000    0.0000    34.911  2.5806  ?       ?       ?              ?        
1 1 1 -24 13  10 o 18.844  2.9278  49.567    14.298    49.567    14.298    0.0000    0.0000    18.844  2.9278  ?       ?       ?              ?        
1 1 1 -24 13  11 o 20.929  2.8680  60.862    15.654    60.862    15.654    0.0000    0.0000    20.929  2.8680  ?       ?       ?              ?        
1 1 1 -24 13  12 o 33.214  2.6223  151.205   23.138    151.205   23.138    0.0000    0.0000    33.214  2.6223  ?       ?       ?              ?        
1 1 1 -24 13  13 o 55.152  2.7359  415.635   40.415    415.635   40.415    0.0000    0.0000    55.152  2.7359  ?       ?       ?              ?        
1 1 1 -24 13  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 13  15 o 42.835  2.4453  244.273   25.283    228.344   29.681    286.401   48.267    40.729  2.7366  44.942  4.0533  -4.212765      4.890654 
1 1 1 -24 13  16 o 26.630  1.9932  98.500    13.997    95.446    19.560    101.704   20.037    26.199  2.8325  27.062  2.8051  -0.8632164     3.986437 
1 1 1 -24 13  17 o 6.5733  2.0380  -2.3160   6.9718    0.8853    9.5498    -5.9692   10.202    6.9886  2.9570  6.1580  2.8054  0.8305869      4.076056 
1 1 1 -24 13  18 o 11.880  2.6293  19.996    9.3075    21.162    13.111    18.811    13.215    12.158  3.6974  11.602  3.7393  0.5555201      5.258607 
1 1 1 -24 13  19 o 11.033  2.5420  16.833    8.6375    15.029    12.000    18.773    12.443    10.559  3.5699  11.506  3.6198  -0.9471340     5.084019 
1 1 1 -24 13  20 o 18.398  2.4841  49.897    11.720    66.364    16.859    34.495    16.305    21.608  2.9932  15.188  3.9653  6.420665       4.968215 
1 1 1 -24 13  21 o 26.799  2.1245  102.318   14.904    111.401   20.895    92.911    21.264    28.119  2.8120  25.479  3.1855  2.639879       4.249086 
1 1 1 -24 13  22 o 34.637  2.0348  169.727   18.675    176.759   26.110    162.362   26.721    35.441  2.7726  33.834  2.9789  1.607277       4.069548 
1 1 1 -24 13  23 o 7.4882  3.2302  0.1749    11.799    0.1749    11.799    0.0000    0.0000    7.4882  3.2302  ?       ?       ?              ?        
1 1 1 -24 13  24 o 22.212  2.4738  74.479    13.758    93.560    19.105    53.926    19.828    25.636  2.8294  18.788  4.0586  6.847776       4.947507 
1 1 1 -24 13  25 o 23.902  2.4202  84.958    14.704    101.078   20.494    67.858    21.108    26.579  2.9273  21.224  3.8549  5.354279       4.840392 
1 1 1 -24 13  26 o 22.420  2.5511  75.810    14.531    91.719    20.449    59.584    20.651    25.158  3.1002  19.682  4.0524  5.475836       5.102258 
1 1 1 -24 13  27 o 17.005  2.6652  46.733    12.697    71.558    17.574    19.627    18.364    22.154  3.0419  11.857  4.3771  10.29645       5.330371 
1 1 1 -24 13  28 o 11.276  2.8140  18.195    10.882    24.018    15.019    11.762    15.787    12.451  3.9836  10.101  3.9757  2.350040       5.628058 
1 1 1 -24 14  1  o 43.034  2.4546  251.925   28.177    251.925   28.177    0.0000    0.0000    43.034  2.4546  ?       ?       ?              ?        
1 1 1 -24 14  2  o 14.701  2.8479  30.396    10.809    30.396    10.809    0.0000    0.0000    14.701  2.8479  ?       ?       ?              ?        
1 1 1 -24 14  3  o 14.641  3.3960  30.543    13.060    30.543    13.060    0.0000    0.0000    14.641  3.3960  ?       ?       ?              ?        
1 1 1 -24 14  4  o 55.648  3.5592  427.563   52.772    427.563   52.772    0.0000    0.0000    55.648  3.5592  ?       ?       ?              ?        
1 1 1 -24 14  5  o 52.969  2.6204  381.371   37.178    381.371   37.178    0.0000    0.0000    52.969  2.6204  ?       ?       ?              ?        
1 1 1 -24 14  6  o 47.127  2.5796  302.691   32.438    302.691   32.438    0.0000    0.0000    47.127  2.5796  ?       ?       ?              ?        
1 1 1 -24 14  7  o 21.785  2.7492  65.621    15.685    65.621    15.685    0.0000    0.0000    21.785  2.7492  ?       ?       ?              ?        
1 1 1 -24 14  8  o 24.886  2.6999  85.299    17.708    85.299    17.708    0.0000    0.0000    24.886  2.6999  ?       ?       ?              ?        
1 1 1 -24 14  9  o 37.189  2.6325  189.255   26.053    189.255   26.053    0.0000    0.0000    37.189  2.6325  ?       ?       ?              ?        
1 1 1 -24 14  10 o 38.572  2.6928  203.881   27.646    203.881   27.646    0.0000    0.0000    38.572  2.6928  ?       ?       ?              ?        
1 1 1 -24 14  11 o 18.790  3.0723  49.648    14.928    49.648    14.928    0.0000    0.0000    18.790  3.0723  ?       ?       ?              ?        
1 1 1 -24 14  12 o 18.547  2.2706  48.757    10.764    37.993    14.900    60.510    15.569    16.263  3.5224  20.831  2.8662  -4.567909      4.541195 
1 1 1 -24 14  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 14  14 o 43.453  1.9205  259.948   22.237    254.078   31.239    265.979   31.661    42.948  2.7298  43.958  2.7021  -1.010204      3.841013 
1 1 1 -24 14  15 f 17.416  2.3471  43.412    10.535    37.880    14.612    49.400    15.202    16.187  3.4742  18.644  3.1568  -2.457245      4.694211 
1 1 1 -24 14  16 o 23.342  2.1258  76.748    12.954    81.056    18.221    72.345    18.421    24.058  2.8851  22.627  3.1228  1.431490       4.251567 
1 1 1 -24 14  17 o 7.7285  2.2788  2.2649    7.8678    0.4385    11.042    4.1488    11.214    7.3777  3.1525  8.0793  3.2915  -0.7015471     4.557635 
1 1 1 -24 14  18 f 31.516  1.9949  139.148   16.630    146.310   23.331    131.751   23.709    32.397  2.7136  30.635  2.9249  1.761927       3.989877 
1 1 1 -24 14  19 o 22.949  2.2453  75.806    13.201    61.223    18.547    90.780    18.795    20.509  3.5021  25.389  2.8109  -4.879869      4.490624 
1 1 1 -24 14  20 f 23.211  2.2430  77.368    13.579    77.132    19.108    77.608    19.302    23.181  3.1599  23.242  3.1843  -0.6078911E-01 4.486047 
1 1 1 -24 14  21 o 52.531  2.0640  389.616   28.925    388.691   40.629    390.567   41.189    52.484  2.9014  52.579  2.9364  -0.9455109E-01 4.128017 
1 1 1 -24 14  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 14  23 o 27.673  2.1772  110.046   15.858    106.448   22.126    113.846   22.739    27.195  3.0925  28.150  3.0654  -0.9547958     4.354316 
1 1 1 -24 14  24 o 10.032  2.5461  9.6909    9.7703    -3.0745   13.500    23.730    14.158    7.4982  3.3371  12.566  3.8463  -5.068144      5.092176 
1 1 1 -24 14  25 o 24.780  2.4467  91.953    15.406    109.577   21.471    73.249    22.120    27.605  2.9496  21.955  3.9046  5.649693       4.893411 
1 1 1 -24 14  26 o 11.600  2.7137  17.438    10.863    3.9264    14.959    32.515    15.802    8.7701  3.7052  14.431  3.9657  -5.660425      5.427306 
1 1 1 -24 14  27 o 16.096  2.8808  41.864    12.752    52.592    17.699    30.281    18.391    18.460  3.7083  13.732  4.4097  4.727316       5.761641 
1 1 1 -24 15  1  f ?       ?       373.868   53831.65  349.709   76121.92  398.036   76136.98  ?       ?       ?       ?       ?              ?        
1 1 1 -24 15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 15  3  o 40.367  1.7683  222.260   18.956    198.857   26.488    246.827   27.139    38.149  2.6078  42.585  2.3889  -4.436169      3.536628 
1 1 1 -24 15  4  o 57.421  1.9030  449.401   29.247    459.835   40.914    438.498   41.823    58.126  2.6279  56.717  2.7530  1.408737       3.805938 
1 1 1 -24 15  5  o 49.280  1.8748  332.025   24.623    343.826   34.419    319.655   35.241    50.210  2.5679  48.351  2.7323  1.859417       3.749613 
1 1 1 -24 15  6  o 39.517  1.8786  214.288   19.705    227.638   27.467    200.132   28.284    40.835  2.5236  38.199  2.7836  2.635986       3.757246 
1 1 1 -24 15  7  o 28.720  1.9055  113.332   14.473    107.030   20.172    120.019   20.778    27.880  2.7366  29.561  2.6524  -1.680914      3.811080 
1 1 1 -24 15  8  o 27.351  1.9538  102.949   14.086    94.527    19.473    112.193   20.403    26.151  2.8248  28.551  2.7000  -2.399359      3.907642 
1 1 1 -24 15  9  o 41.217  1.9279  233.069   21.106    211.679   29.475    255.580   30.237    39.233  2.8237  43.202  2.6255  -3.968506      3.855767 
1 1 1 -24 15  10 o 20.817  2.3647  64.207    12.051    91.007    16.949    36.810    17.137    25.724  2.4912  15.910  4.0200  9.814050       4.729321 
1 1 1 -24 15  11 o 35.885  1.9474  177.394   18.572    173.172   26.044    181.763   26.491    35.444  2.7651  36.326  2.7429  -0.8813362     3.894794 
1 1 1 -24 15  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 15  13 o 32.658  1.9588  147.668   16.972    147.568   23.914    147.770   24.093    32.650  2.7603  32.665  2.7801  -0.1489258E-01 3.917681 
1 1 1 -24 15  14 o 15.236  2.5018  33.894    10.182    23.943    14.279    44.189    14.523    12.892  3.8446  17.579  3.2024  -4.686939      5.003621 
1 1 1 -24 15  15 o 23.567  2.1893  78.575    13.449    73.028    19.044    84.095    18.996    22.672  3.2271  24.462  2.9594  -1.789473      4.378591 
1 1 1 -24 15  16 o 15.169  2.4790  34.345    10.465    16.503    14.865    51.873    14.734    11.233  3.9653  19.105  2.9763  -7.871515      4.957995 
1 1 1 -24 15  17 o 38.182  1.9976  204.114   20.253    213.067   28.390    194.835   28.902    39.094  2.7283  37.271  2.9184  1.823063       3.995109 
1 1 1 -24 15  18 o 9.8054  2.5096  10.809    8.8322    4.0856    12.207    18.197    12.796    8.2817  3.4108  11.329  3.6821  -3.047359      5.019105 
1 1 1 -24 15  19 o 20.078  2.4414  59.129    12.591    68.164    17.992    50.457    17.627    21.738  3.1845  18.418  3.7014  3.319971       4.882795 
1 1 1 -24 15  20 o 25.165  2.2148  91.396    14.530    98.589    20.315    83.862    20.791    26.297  2.9341  24.032  3.3185  2.265530       4.429599 
1 1 1 -24 15  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 15  22 o 8.7150  2.3908  5.1091    8.8271    15.416    12.227    -6.1100   12.756    10.523  3.6033  6.9074  3.1431  3.615170       4.781509 
1 1 1 -24 15  23 o 9.4844  2.4989  8.0468    9.4028    19.737    13.356    -3.4417   13.240    11.598  3.7614  7.3706  3.2907  4.227549       4.997725 
1 1 1 -24 15  24 o 7.4737  2.2520  -3.9836   8.9520    9.4609    12.358    -18.8281  12.985    9.2051  3.5472  5.7422  2.7756  3.462939       4.504047 
1 1 1 -24 15  25 o 12.440  2.8529  22.866    11.260    14.394    15.610    32.055    16.257    10.600  4.0103  14.281  4.0587  -3.680820      5.705745 
1 1 1 -24 15  26 o 11.361  2.7958  17.167    11.131    6.2666    15.272    29.519    16.257    9.1094  3.7889  13.612  4.1121  -4.502835      5.591542 
1 1 1 -24 16  1  o 71.370  2.0261  696.174   38.720    673.998   54.398    718.948   55.127    70.204  2.8929  72.536  2.8374  -2.331703      4.052134 
1 1 1 -24 16  2  o 47.677  1.8093  310.239   23.017    303.942   32.225    316.797   32.888    47.182  2.5595  48.173  2.5580  -0.9906578     3.618654 
1 1 1 -24 16  3  o 27.792  1.8784  106.444   13.659    88.675    19.028    125.336   19.620    25.317  2.8558  30.267  2.4409  -4.949837      3.756804 
1 1 1 -24 16  4  o 56.368  1.9218  433.584   29.005    417.315   40.600    450.541   41.450    55.279  2.7421  57.457  2.6934  -2.178074      3.843586 
1 1 1 -24 16  5  o 34.196  1.8759  160.830   17.002    170.067   23.757    151.132   24.344    35.247  2.5333  33.146  2.7673  2.100834       3.751740 
1 1 1 -24 16  6  f 65.584  2.0688  589.874   36.323    596.533   50.743    582.876   52.017    65.992  2.8707  65.176  2.9796  0.8159714      4.137563 
1 1 1 -24 16  7  o 21.999  2.0761  67.598    11.903    70.073    16.566    64.956    17.113    22.457  2.8160  21.542  3.0513  0.9153233      4.152120 
1 1 1 -24 16  8  o 20.667  2.1460  59.922    11.521    60.197    16.090    59.634    16.503    20.732  2.9835  20.603  3.0854  0.1290760      4.291983 
1 1 1 -24 16  9  o 64.741  2.1084  576.959   36.533    547.762   51.278    607.056   52.062    63.045  3.0366  66.437  2.9257  -3.391872      4.216734 
1 1 1 -24 16  10 o 35.237  1.9700  171.638   18.433    175.139   25.870    168.029   26.270    35.625  2.7319  34.850  2.8390  0.7756577      3.939938 
1 1 1 -24 16  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 16  12 o 6.6316  2.0669  -2.5075   7.1609    -3.7551   9.9682    -1.1770   10.294    6.3770  2.8506  6.8862  2.9937  -0.5091586     4.133813 
1 1 1 -24 16  13 o 24.212  2.1979  83.081    13.825    92.298    19.467    73.703    19.636    25.676  2.8803  22.747  3.3207  2.929733       4.395793 
1 1 1 -24 16  14 f 35.404  2.0166  174.985   18.936    184.766   26.810    165.249   26.749    36.438  2.7677  34.369  2.9338  2.068863       4.033286 
1 1 1 -24 16  15 o 16.287  2.5674  39.147    11.062    51.664    15.921    27.462    15.383    18.938  3.2560  13.635  3.9706  5.302797       5.134881 
1 1 1 -24 16  16 o 10.903  2.4962  15.391    9.0813    4.8280    12.905    25.753    12.781    8.5967  3.5199  13.209  3.5405  -4.612237      4.992455 
1 1 1 -24 16  17 o 37.793  2.0445  201.375   20.533    204.378   28.876    198.303   29.203    38.106  2.8498  37.480  2.9324  0.6262321      4.089020 
1 1 1 -24 16  18 o 16.690  2.5088  41.816    11.663    15.515    16.058    71.181    16.968    11.051  4.0905  22.328  2.9060  -11.27736      5.017661 
1 1 1 -24 16  19 o 32.001  2.1118  146.399   17.833    156.900   25.068    135.639   25.374    33.266  2.8407  30.737  3.1255  2.528759       4.223556 
1 1 1 -24 16  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 16  21 o 17.298  2.7476  45.854    12.438    50.422    17.460    41.148    17.724    18.288  3.6915  16.307  4.0706  1.981178       5.495139 
1 1 1 -24 16  22 o 13.957  2.8613  30.067    11.317    29.718    15.835    30.431    16.180    13.883  4.0245  14.031  4.0684  -0.1480522     5.722629 
1 1 1 -24 16  23 o 12.031  2.7731  20.254    10.971    9.1260    15.224    32.277    15.825    9.6556  3.8701  14.406  3.9726  -4.749869      5.546114 
1 1 1 -24 16  24 o 7.7025  2.3291  -1.5876   9.1073    -11.5505  12.765    8.7418    12.998    6.2734  2.9525  9.1315  3.6031  -2.858093      4.658282 
1 1 1 -24 16  25 o 14.588  2.7843  33.320    12.066    16.745    16.795    51.001    17.346    11.044  4.1641  18.131  3.6971  -7.087833      5.568508 
1 1 1 -24 17  1  o 20.924  2.1364  61.561    11.481    50.806    16.103    72.677    16.372    18.941  3.2938  22.907  2.7216  -3.966307      4.272755 
1 1 1 -24 17  2  o 37.591  1.8344  193.689   18.354    191.222   25.676    196.266   26.248    37.349  2.5824  37.833  2.6061  -0.4835281     3.668855 
1 1 1 -24 17  3  f 16.203  2.2763  37.278    9.5245    33.494    13.134    41.474    13.832    15.298  3.3021  17.108  3.1340  -1.809829      4.552575 
1 1 1 -24 17  4  o 33.025  1.8858  150.191   16.521    155.447   23.154    144.740   23.581    33.643  2.5894  32.408  2.7423  1.235184       3.771671 
1 1 1 -24 17  5  o 49.335  1.9446  334.755   25.568    345.899   35.804    323.159   36.524    50.211  2.6718  48.459  2.8262  1.751999       3.889263 
1 1 1 -24 17  6  o 39.000  1.9328  209.378   20.056    206.785   27.949    212.131   28.797    38.759  2.7092  39.241  2.7573  -0.4814644     3.865542 
1 1 1 -24 17  7  o 19.401  2.2532  53.410    11.242    46.113    15.756    60.979    16.046    17.950  3.4016  20.852  2.9558  -2.902508      4.506374 
1 1 1 -24 17  8  o 43.192  1.9675  257.295   22.626    244.745   31.552    270.580   32.463    42.090  2.8149  44.295  2.7497  -2.204884      3.935098 
1 1 1 -24 17  9  o 36.640  4.6258  196.093   44.387    0.0000    0.0000    196.093   44.387    ?       ?       36.640  4.6258  ?              ?        
1 1 1 -24 17  10 o 36.840  2.0079  188.379   19.656    183.115   27.560    193.828   28.040    36.305  2.8572  37.374  2.8219  -1.069035      4.015796 
1 1 1 -24 17  11 o 6.9175  2.1224  -2.0765   7.4696    3.0506    10.662    -7.0179   10.468    7.7234  3.1851  6.1116  2.8058  1.611803       4.244729 
1 1 1 -24 17  12 o 38.093  2.0429  202.618   20.656    189.952   29.108    215.467   29.317    36.841  2.9752  39.345  2.8002  -2.504318      4.085709 
1 1 1 -24 17  13 o 16.827  2.6480  41.952    11.640    45.797    16.284    37.936    16.644    17.694  3.5594  15.960  3.9216  1.734485       5.296039 
1 1 1 -24 17  14 o 25.432  2.1900  92.067    14.593    95.507    20.521    88.548    20.757    25.960  3.0069  24.904  3.1848  1.056791       4.380001 
1 1 1 -24 17  15 o 17.860  2.6169  47.315    12.118    39.524    16.826    55.711    17.467    16.204  3.9195  19.516  3.4686  -3.311127      5.233860 
1 1 1 -24 17  16 o 43.188  2.0779  263.880   23.880    269.718   33.530    257.870   34.019    43.720  2.8794  42.656  2.9965  1.064030       4.155768 
1 1 1 -24 17  17 f 26.649  2.2593  102.411   15.787    96.733    22.075    108.356   22.587    25.846  3.2613  27.452  3.1277  -1.605629      4.518681 
1 1 1 -24 17  18 o 25.960  2.2696  97.753    15.400    90.430    21.743    105.124   21.814    24.889  3.3463  27.031  3.0672  -2.141388      4.539257 
1 1 1 -24 17  19 o 14.711  4.0093  33.376    16.230    33.376    16.230    0.0000    0.0000    14.711  4.0093  ?       ?       ?              ?        
1 1 1 -24 17  20 o 22.539  2.4993  75.804    14.435    88.369    20.479    63.396    20.350    24.643  3.1765  20.435  3.8594  4.208092       4.998558 
1 1 1 -24 17  21 o 29.175  2.2421  123.716   17.238    123.768   24.291    123.664   24.468    29.191  3.1570  29.159  3.1846  0.3171349E-01  4.484248 
1 1 1 -24 17  22 f 21.661  2.6608  71.919    14.673    55.038    20.598    89.307    20.905    18.685  4.2161  24.637  3.2471  -5.952641      5.321527 
1 1 1 -24 17  23 o 12.177  2.4485  19.336    10.869    42.616    14.941    -6.8344   15.841    16.742  3.4466  7.6119  3.4787  9.130100       4.896965 
1 1 1 -24 17  24 o 10.469  2.7889  13.417    11.110    4.9040    15.527    22.349    15.905    8.9161  3.7714  12.022  4.1097  -3.105432      5.577859 
1 1 1 -24 18  1  f 21.541  2.0847  64.916    11.705    62.013    16.390    67.939    16.722    21.028  2.9946  22.055  2.9011  -1.027378      4.169414 
1 1 1 -24 18  2  o 48.176  1.8965  319.761   24.305    341.491   34.064    297.225   34.690    49.908  2.5568  46.444  2.8017  3.464420       3.792966 
1 1 1 -24 18  3  o 34.624  1.8976  165.438   17.442    171.314   24.476    159.375   24.863    35.280  2.6086  33.968  2.7565  1.311665       3.795141 
1 1 1 -24 18  4  o 54.133  1.9595  403.053   28.347    386.733   39.690    420.047   40.500    52.962  2.8079  55.304  2.7340  -2.342056      3.919075 
1 1 1 -24 18  5  o 20.489  2.2251  59.333    11.802    54.893    16.474    64.014    16.915    19.654  3.2424  21.323  3.0483  -1.669012      4.450294 
1 1 1 -24 18  6  o 7.9169  2.2737  3.7117    7.6260    6.4764    10.554    0.6908    11.032    8.3951  3.2660  7.4387  3.1641  0.9563494      4.547364 
1 1 1 -24 18  7  f 13.936  2.4650  27.844    9.4909    17.591    13.059    39.321    13.817    11.323  3.7218  16.549  3.2331  -5.226419      4.929968 
1 1 1 -24 18  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 18  9  o 15.894  2.5728  36.977    10.726    33.737    14.954    40.409    15.393    15.147  3.7144  16.642  3.5609  -1.495738      5.145518 
1 1 1 -24 18  10 o 28.196  2.1219  111.683   15.747    103.135   21.811    120.991   22.760    27.030  3.0669  29.361  2.9333  -2.331396      4.243827 
1 1 1 -24 18  11 o 8.6648  2.3847  4.9499    8.4894    -3.2323   11.761    13.851    12.267    7.0329  3.1231  10.297  3.6046  -3.263834      4.769388 
1 1 1 -24 18  12 o 18.072  2.6012  48.659    12.152    57.050    16.975    39.837    17.405    19.864  3.3067  16.280  4.0164  3.583960       5.202467 
1 1 1 -24 18  13 o 43.847  2.0736  270.800   24.154    248.058   33.818    294.481   34.509    41.884  3.0351  45.809  2.8263  -3.924915      4.147240 
1 1 1 -24 18  14 o 7.4005  2.2443  -1.5600   8.3693    6.1446    11.776    -9.4238   11.897    8.5186  3.4075  6.2825  2.9218  2.236146       4.488616 
1 1 1 -24 18  15 o 18.251  2.6902  50.083    12.745    40.458    17.626    60.631    18.450    16.246  4.0615  20.257  3.5288  -4.010958      5.380372 
1 1 1 -24 18  16 o 21.101  2.4918  65.930    13.586    66.100    19.094    65.755    19.335    21.147  3.4929  21.056  3.5548  0.9057426E-01  4.983693 
1 1 1 -24 18  17 o 21.236  3.6473  67.396    19.998    0.0000    0.0000    67.396    19.998    ?       ?       21.236  3.6473  ?              ?        
1 1 1 -24 18  18 f 13.593  2.8544  29.160    12.764    43.376    16.310    6.6900    20.505    16.896  3.7060  10.291  4.3424  6.604795       5.708782 
1 1 1 -24 18  19 o 15.012  2.8910  34.979    12.030    29.172    16.682    41.271    17.365    13.716  4.1704  16.307  4.0048  -2.590262      5.781922 
1 1 1 -24 18  20 o 10.983  2.5701  13.688    10.599    31.566    14.782    -5.2315   15.206    14.299  3.7960  7.6658  3.4657  6.633638       5.140114 
1 1 1 -24 18  21 o 21.944  2.6218  73.228    14.858    71.723    20.738    74.815    21.297    21.715  3.6981  22.173  3.7176  -0.4582882     5.243677 
1 1 1 -24 18  22 o 23.750  2.6083  87.614    15.627    106.924   21.808    67.238    22.402    26.970  3.0739  20.531  4.2149  6.438509       5.216683 
1 1 1 -24 18  23 o 20.584  2.7404  67.798    14.432    81.224    20.099    53.507    20.736    23.168  3.3350  18.000  4.3494  5.167341       5.480811 
1 1 1 -24 19  1  o 51.365  1.9469  363.920   26.681    339.317   37.577    388.935   37.890    49.528  2.8445  53.201  2.6590  -3.673573      3.893784 
1 1 1 -24 19  2  o 61.194  2.0145  516.613   33.012    501.010   46.228    532.849   47.156    60.242  2.8650  62.147  2.8329  -1.905415      4.029065 
1 1 1 -24 19  3  o 17.557  2.4376  44.392    11.042    37.370    15.268    52.091    15.987    16.007  3.6430  19.106  3.2398  -3.099424      4.875177 
1 1 1 -24 19  4  o 34.332  1.9636  163.586   17.880    153.266   25.016    174.364   25.565    33.191  2.8413  35.473  2.7111  -2.282520      3.927274 
1 1 1 -24 19  5  o 12.297  2.3136  20.270    9.3018    38.773    13.015    0.9530    13.299    16.461  3.0647  8.1316  3.4668  8.329863       4.627212 
1 1 1 -24 19  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 19  7  o 13.610  2.4965  27.209    9.9958    41.492    13.894    11.887    14.391    16.979  3.1718  10.242  3.8562  6.736753       4.993052 
1 1 1 -24 19  8  o 10.761  2.4707  13.690    9.4655    27.336    13.065    -1.3859   13.732    13.635  3.5445  7.8873  3.4429  5.747540       4.941361 
1 1 1 -24 19  9  o 41.584  2.0579  242.815   22.734    252.801   31.724    232.273   32.595    42.537  2.8001  40.632  3.0165  1.905323       4.115826 
1 1 1 -24 19  10 o 14.089  2.6297  29.060    10.550    17.306    14.606    41.882    15.255    11.301  3.9346  16.877  3.4899  -5.576514      5.259306 
1 1 1 -24 19  11 o 27.019  2.2267  104.108   15.771    95.229    21.738    113.977   22.917    25.753  3.2218  28.284  3.0746  -2.530294      4.453475 
1 1 1 -24 19  12 o 37.536  2.1118  199.916   21.053    197.279   29.448    202.674   30.111    37.291  2.9729  37.781  3.0002  -0.4899864     4.223639 
1 1 1 -24 19  13 o 20.672  2.5432  63.868    13.389    48.573    18.765    79.732    19.110    17.836  4.0237  23.508  3.1115  -5.672560      5.086365 
1 1 1 -24 19  14 o 10.781  2.6641  15.203    9.8643    7.8378    13.922    22.628    13.978    9.2499  3.7032  12.312  3.8308  -3.061774      5.328106 
1 1 1 -24 19  15 o 30.684  2.2602  136.419   18.303    135.261   25.767    137.598   26.002    30.552  3.1960  30.816  3.1967  -0.2640476     4.520360 
1 1 1 -24 19  16 o 23.490  6.1395  97.784    39.059    0.0000    0.0000    97.784    39.059    ?       ?       23.490  6.1395  ?              ?        
1 1 1 -24 19  17 o 19.158  2.7484  57.260    13.773    33.155    19.159    83.037    19.813    14.481  4.4814  23.835  3.1829  -9.354683      5.496719 
1 1 1 -24 19  18 o 22.519  2.6129  76.473    15.213    75.572    21.435    77.387    21.595    22.376  3.7062  22.662  3.6842  -0.2862167     5.225861 
1 1 1 -24 19  19 o 8.4340  2.5333  1.6637    10.231    -4.9347   14.270    8.6437    14.677    7.4277  3.3577  9.4403  3.7942  -2.012600      5.066614 
1 1 1 -24 19  20 o 18.175  2.9053  52.464    13.805    54.308    19.097    50.446    19.979    18.622  3.9510  17.727  4.2606  0.8955097      5.810582 
1 1 1 -24 19  21 f 31.147  2.3547  145.243   19.242    130.544   27.031    160.341   27.396    29.364  3.5062  32.931  3.1442  -3.566418      4.709460 
1 1 1 -24 19  22 o 13.438  2.9777  29.730    12.331    20.926    17.807    37.843    17.093    11.713  4.3126  15.163  4.1071  -3.450234      5.955400 
1 1 1 -24 20  1  o 9.5620  2.5193  10.424    8.6338    11.594    11.528    8.9286    13.030    9.6991  3.4846  9.4250  3.6394  0.2740974      5.038588 
1 1 1 -24 20  2  o 6.4884  1.9200  -1.4274   6.3423    6.3526    8.0731    -13.9698  10.250    7.7038  2.8906  5.2729  2.5277  2.430882       3.839934 
1 1 1 -24 20  3  o 32.776  2.0176  150.149   17.448    132.569   24.315    168.811   25.052    30.717  2.9934  34.835  2.7062  -4.118343      4.035294 
1 1 1 -24 20  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 20  5  o 17.215  2.5912  43.722    11.582    46.373    16.224    40.968    16.539    17.810  3.5257  16.620  3.7982  1.189768       5.182360 
1 1 1 -24 20  6  o 23.912  2.2809  81.992    14.190    85.833    19.704    77.855    20.451    24.578  3.0593  23.245  3.3840  1.332190       4.561886 
1 1 1 -24 20  7  o 38.174  2.0726  204.864   20.986    188.361   29.187    222.527   30.196    36.526  3.0101  39.822  2.8498  -3.295662      4.145143 
1 1 1 -24 20  8  o 12.192  2.7823  21.511    10.336    21.617    14.216    21.392    15.055    12.194  3.8729  12.189  3.9956  0.4418373E-02  5.564530 
1 1 1 -24 20  9  o 23.692  2.3589  81.690    14.410    93.183    20.383    70.206    20.375    25.538  3.0395  21.845  3.6081  3.692972       4.717772 
1 1 1 -24 20  10 o 5.6240  1.8723  -10.4807  7.2945    -13.0256  10.273    -7.8928   10.359    5.3352  2.5503  5.9129  2.7419  -0.5776515     3.744607 
1 1 1 -24 20  11 o 15.144  2.5901  35.407    11.501    55.911    15.990    13.431    16.554    19.594  3.1538  10.694  4.1095  8.900899       5.180209 
1 1 1 -24 20  12 o 9.4215  2.5041  7.2822    9.3863    -3.4636   12.847    19.584    13.746    7.2550  3.2402  11.588  3.8189  -4.333050      5.008283 
1 1 1 -24 20  13 o 13.181  2.7387  25.512    10.867    14.519    14.885    38.057    15.900    10.606  3.9358  15.757  3.8095  -5.150575      5.477459 
1 1 1 -24 20  14 o 15.055  2.9226  35.434    12.150    33.375    16.936    37.618    17.440    14.611  4.1392  15.500  4.1273  -0.8898783     5.845268 
1 1 1 -24 20  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 20  16 o 9.1632  2.5712  6.6174    10.010    15.321    13.793    -3.0688   14.551    10.587  3.8107  7.7394  3.4530  2.847637       5.142425 
1 1 1 -24 20  17 o 39.932  2.2265  232.333   23.592    242.392   33.219    222.094   33.513    40.902  3.0541  38.962  3.2407  1.940872       4.453074 
1 1 1 -24 20  18 o 9.1839  2.7041  5.5209    11.213    -0.1006   16.140    10.766    15.591    8.4513  3.7096  9.9164  3.9355  -1.465113      5.408266 
1 1 1 -24 20  19 o 12.618  2.9859  24.899    12.103    30.363    16.713    18.873    17.551    13.746  4.1731  11.490  4.2718  2.255616       5.971822 
1 1 1 -24 20  20 o 12.112  2.7763  20.940    12.031    1.4299    17.521    38.346    16.549    8.8242  3.8693  15.401  3.9824  -6.576366      5.552558 
1 1 1 -24 21  1  o 10.802  4.4018  9.4278    20.062    0.0000    0.0000    9.4278    20.062    ?       ?       10.802  4.4018  ?              ?        
1 1 1 -24 21  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 21  3  o 11.139  2.7178  16.879    9.8306    16.332    13.487    17.499    14.359    10.966  3.7829  11.312  3.9033  -0.3461094     5.435686 
1 1 1 -24 21  4  f 19.685  2.5144  56.822    12.762    53.469    17.771    60.393    18.340    19.044  3.6160  20.326  3.4948  -1.281330      5.028811 
1 1 1 -24 21  5  o 27.057  2.2638  105.298   15.751    82.988    21.882    129.290   22.691    23.849  3.5323  30.264  2.8322  -6.415802      4.527534 
1 1 1 -24 21  6  o 17.677  2.7052  46.858    12.415    45.342    16.977    48.600    18.203    17.396  3.7537  17.958  3.8963  -0.5622520     5.410324 
1 1 1 -24 21  7  o 19.857  2.5733  58.355    13.160    52.370    18.080    65.098    19.191    18.701  3.7401  21.012  3.5355  -2.310890      5.146627 
1 1 1 -24 21  8  o 19.059  2.6230  54.606    12.866    37.463    17.698    73.822    18.738    15.567  4.1635  22.551  3.1914  -6.983615      5.245954 
1 1 1 -24 21  9  o 24.489  2.4668  88.627    15.354    67.810    21.274    111.260   22.183    21.164  3.8964  27.814  3.0264  -6.649590      4.933656 
1 1 1 -24 21  10 o 26.550  2.3558  103.370   16.347    107.434   22.792    99.064    23.460    27.185  3.1908  25.915  3.4667  1.270454       4.711617 
1 1 1 -24 21  11 o 21.454  2.6288  70.048    14.432    80.025    20.098    59.429    20.735    23.319  3.3107  19.589  4.0843  3.730469       5.257573 
1 1 1 -24 21  12 o 17.858  2.7730  49.181    12.918    43.258    17.942    55.556    18.614    16.634  4.0622  19.081  3.7758  -2.446903      5.545935 
1 1 1 -24 21  13 o 11.248  4.0805  17.601    15.857    0.0000    0.0000    17.601    15.857    ?       ?       11.248  4.0805  ?              ?        
1 1 1 -24 21  14 o 13.520  3.1194  25.988    12.999    16.771    16.456    41.279    21.197    11.138  4.1373  15.901  4.6697  -4.763087      6.238843 
1 1 1 -24 21  15 o 11.384  2.7384  15.992    11.303    32.158    16.155    0.4935    15.819    14.293  4.0404  8.4758  3.6976  5.817151       5.476898 
1 1 1 -24 21  16 o 8.0506  2.5048  -1.3906   10.576    3.3603    15.030    -6.0495   14.884    8.6570  3.6881  7.4441  3.3903  1.212873       5.009615 
1 1 1 -24 21  17 o 22.975  2.8059  83.379    16.408    100.355   23.056    65.959    23.355    25.837  3.4153  20.113  4.4529  5.723764       5.611800 
1 1 1 -24 21  18 o 15.230  3.0694  38.167    13.443    28.408    18.678    48.655    19.363    13.210  4.4538  17.249  4.2246  -4.039481      6.138721 
1 1 1 -24 21  19 o 19.706  3.0068  64.392    15.420    70.752    21.610    57.795    22.009    20.955  3.9960  18.457  4.4940  2.498541       6.013639 
1 1 1 -24 22  1  o 22.114  2.4277  71.657    13.857    76.128    19.237    66.835    19.977    22.954  3.2172  21.274  3.6365  1.679897       4.855373 
1 1 1 -24 22  2  o 18.596  2.6512  51.935    12.721    54.533    17.457    48.993    18.575    19.214  3.5219  17.979  3.9640  1.234686       5.302493 
1 1 1 -24 22  3  o 6.8169  2.1459  -3.5800   7.7173    -6.0454   9.8631    0.3122    12.393    5.9587  2.7312  7.6752  3.3107  -1.716533      4.291869 
1 1 1 -24 22  4  f 20.443  2.5827  62.278    13.582    54.291    18.979    70.662    19.445    18.948  3.8704  21.938  3.4208  -2.990129      5.165477 
1 1 1 -24 22  5  o 25.257  2.3486  93.012    15.460    85.248    21.577    101.202   22.161    24.086  3.4424  26.427  3.1957  -2.341175      4.697135 
1 1 1 -24 22  6  o 27.818  2.2671  112.143   16.560    105.255   22.891    119.708   23.988    26.890  3.2438  28.746  3.1681  -1.855865      4.534187 
1 1 1 -24 22  7  o 24.138  2.4283  85.708    15.207    77.299    20.825    95.315    22.258    22.800  3.5236  25.477  3.3424  -2.676207      4.856663 
1 1 1 -24 22  8  o 17.214  2.7556  47.197    13.002    68.052    18.166    25.290    18.619    21.496  3.2571  12.932  4.4457  8.563383       5.511166 
1 1 1 -24 22  9  o 19.900  2.7270  60.928    13.980    64.656    19.320    56.831    20.254    20.704  3.6153  19.096  4.0835  1.608538       5.453986 
1 1 1 -24 22  10 o 28.741  2.4652  123.379   17.830    88.087    24.658    162.049   25.812    23.934  3.9866  33.548  2.9010  -9.614048      4.930394 
1 1 1 -24 22  11 o 23.081  2.6628  81.374    15.554    59.898    21.518    104.876   22.510    19.450  4.2493  26.713  3.2103  -7.262924      5.325658 
1 1 1 -24 22  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 22  13 o 24.584  2.5979  91.403    16.556    85.190    22.813    98.318    24.066    23.654  3.7239  25.515  3.6233  -1.861372      5.195701 
1 1 1 -24 22  14 o 26.427  2.6568  107.230   17.686    79.019    24.609    137.365   25.435    22.290  4.2776  30.564  3.1522  -8.274220      5.313578 
1 1 1 -24 22  15 o 24.973  2.7372  96.814    17.605    109.206   25.096    84.809    24.702    26.805  3.5852  23.141  4.1371  3.664045       5.474427 
1 1 1 -24 22  16 o 33.016  2.3861  164.050   20.709    147.266   28.915    181.725   29.673    31.099  3.5340  34.933  3.2071  -3.833618      4.772296 
1 1 1 -24 22  17 o 23.481  2.7869  87.862    16.903    86.501    23.586    89.299    24.236    23.315  3.9156  23.648  3.9668  -0.3324661     5.573878 
1 1 1 -24 23  1  o 37.509  2.0952  201.368   20.855    190.285   29.335    212.692   29.654    36.401  3.0365  38.618  2.8877  -2.216690      4.190391 
1 1 1 -24 23  2  o 36.391  2.1467  190.648   20.597    166.496   28.822    215.852   29.443    33.869  3.2157  38.912  2.8447  -5.043324      4.293383 
1 1 1 -24 23  3  o 7.6340  2.0938  -0.4403   7.9768    14.018    10.024    -25.4079  13.172    9.9262  3.2606  5.3419  2.6278  4.584240       4.187673 
1 1 1 -24 23  4  o 13.672  2.6567  26.859    11.485    7.4912    15.860    48.217    16.655    9.5084  3.8986  17.836  3.6101  -8.327381      5.313396 
1 1 1 -24 23  5  o 13.924  2.6163  27.873    11.807    4.3862    16.484    52.621    16.921    9.1619  3.8812  18.687  3.5095  -9.524895      5.232559 
1 1 1 -24 23  6  o 9.3069  2.6244  6.9521    10.461    15.647    14.284    -3.1056   15.362    10.684  3.8732  7.9300  3.5423  2.753807       5.248744 
1 1 1 -24 23  7  o 57.243  2.2459  476.954   34.265    449.301   47.701    506.435   49.253    55.455  3.2254  59.031  3.1261  -3.576584      4.491746 
1 1 1 -24 23  8  o 21.482  2.7208  70.875    15.065    66.915    20.744    75.294    21.915    20.826  3.8608  22.138  3.8348  -1.311378      5.441665 
1 1 1 -24 23  9  o 7.1811  2.2920  -6.8713   9.4466    -13.8031  12.481    2.4255    14.454    5.9659  2.8405  8.3963  3.5978  -2.430401      4.583978 
1 1 1 -24 23  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 23  11 o 15.301  3.0465  37.583    13.144    30.518    18.073    45.516    19.151    13.791  4.3654  16.811  4.2506  -3.019944      6.092978 
1 1 1 -24 23  12 o 5.6987  1.9470  -21.2027  8.9524    -31.9517  12.033    -7.8775   13.398    4.5866  2.2976  6.8108  3.1441  -2.224175      3.894083 
1 1 1 -24 23  13 o 18.059  3.0142  53.587    14.685    69.590    20.822    37.747    20.715    21.124  3.8207  14.993  4.6631  6.131034       6.028440 
1 1 1 -24 23  14 o 31.476  2.4390  150.183   20.212    143.558   28.195    157.186   28.988    30.716  3.4889  32.236  3.4090  -1.519846      4.877925 
1 1 1 -24 23  15 o 15.249  2.9388  38.827    13.783    59.571    19.265    17.075    19.727    19.305  3.8606  11.194  4.4319  8.111138       5.877522 
1 1 1 -24 23  16 o 28.975  2.5915  131.968   19.559    117.491   27.075    147.770   28.287    27.104  3.8366  30.846  3.4847  -3.742109      5.182924 
1 1 1 -24 24  1  o 24.925  2.4340  92.714    15.723    81.829    21.905    104.283   22.583    23.254  3.6360  26.596  3.2369  -3.341970      4.868082 
1 1 1 -24 24  2  o 9.1934  2.4276  5.1037    9.9425    21.317    13.129    -16.6948  15.224    11.838  3.7174  6.5489  3.1233  5.289164       4.855290 
1 1 1 -24 24  3  o 10.169  2.6005  9.7911    9.5853    0.1554    12.126    25.840    15.650    7.4735  3.2492  12.864  4.0612  -5.390315      5.200987 
1 1 1 -24 24  4  o 33.263  2.2693  162.954   19.966    163.382   28.167    162.522   28.306    33.320  3.1953  33.206  3.2232  0.1139565      4.538603 
1 1 1 -24 24  5  o 31.233  2.4155  145.921   19.800    156.660   27.845    134.938   28.160    32.568  3.2348  29.898  3.5882  2.670822       4.831068 
1 1 1 -24 24  6  o 29.306  2.3904  128.331   18.337    116.322   25.779    140.631   26.089    27.755  3.5488  30.856  3.2033  -3.101093      4.780741 
1 1 1 -24 24  7  o 23.330  2.7064  83.691    16.234    71.668    22.237    97.411    23.755    21.344  4.0375  25.316  3.6051  -3.971836      5.412747 
1 1 1 -24 24  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 24  9  o 10.281  2.9438  11.393    12.266    12.155    15.250    9.9959    20.646    10.049  3.9214  10.512  4.3916  -0.4631109     5.887547 
1 1 1 -24 24  10 o 20.763  2.9989  69.410    16.094    69.467    22.164    69.347    23.407    20.879  4.1096  20.647  4.3687  0.2319298      5.997879 
1 1 1 -24 24  11 o 14.013  3.1388  31.407    13.602    21.020    18.407    43.900    20.187    11.847  4.3806  16.178  4.4966  -4.330943      6.277642 
1 1 1 -24 24  12 o 6.6978  2.2155  -11.6556  10.128    -4.2924   13.875    -20.0550  14.819    7.2839  3.3002  6.1116  2.9569  1.172311       4.431054 
1 1 1 -24 24  13 o 12.782  2.6464  18.031    12.650    -10.5812  16.972    53.796    18.975    7.3995  3.4574  18.165  4.0075  -10.76539      5.292849 
1 1 1 -24 24  14 o 11.120  3.0145  18.503    12.595    19.854    17.310    16.982    18.361    11.325  4.2359  10.915  4.2901  0.4096899      6.028946 
1 1 1 -24 25  1  o 11.395  2.9005  19.121    11.425    22.418    15.281    14.941    17.204    12.034  4.0287  10.756  4.1740  1.277721       5.801085 
1 1 1 -24 25  2  o 20.386  2.8527  66.195    15.013    46.754    20.752    87.541    21.745    16.755  4.5199  24.017  3.4818  -7.262123      5.705480 
1 1 1 -24 25  3  o 31.895  2.3502  152.281   19.577    129.915   27.353    175.772   28.033    29.226  3.5683  34.565  3.0595  -5.339106      4.700365 
1 1 1 -24 25  4  o 41.335  2.2352  252.359   24.514    233.979   34.217    271.741   35.138    39.677  3.2482  42.994  3.0715  -3.317089      4.470438 
1 1 1 -24 25  5  o 17.573  3.0502  50.242    14.257    44.344    19.404    57.159    21.016    16.406  4.3464  18.740  4.2806  -2.334471      6.100353 
1 1 1 -24 25  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 25  7  o 29.396  2.8675  133.865   21.437    125.380   27.206    147.758   34.814    28.599  3.6336  30.194  4.4370  -1.594557      5.735001 
1 1 1 -24 25  8  o 8.7426  2.5965  -3.0568   11.495    -20.2019  15.504    17.874    17.131    6.3029  3.0432  11.182  4.2078  -4.879482      5.192945 
1 1 1 -24 25  9  o 32.500  2.4765  160.816   21.136    144.505   29.013    179.261   30.853    30.622  3.6065  34.379  3.3949  -3.756956      4.952980 
1 1 1 -24 25  10 f 9.9934  2.7498  9.5121    11.951    23.601    16.078    -7.8837   17.866    12.126  4.1321  7.8606  3.6294  4.265684       5.499695 
1 1 1 -24 25  11 o 11.862  3.0330  20.702    12.963    9.7299    17.666    33.499    19.079    9.7967  4.0749  13.927  4.4935  -4.130008      6.066041 
1 1 1 -24 25  12 o 9.9352  2.7733  7.7100    12.030    -7.6466   16.275    26.201    17.860    7.4271  3.4415  12.443  4.3498  -5.016173      5.546541 
1 1 1 -24 26  1  o 7.9962  2.4841  -0.5463   10.485    5.0277    13.870    -7.9771   16.015    8.5434  3.5864  7.4490  3.4382  1.094457       4.968292 
1 1 1 -24 26  2  o 11.351  2.9635  17.342    12.136    9.2915    16.045    28.103    18.552    9.6057  3.9279  13.096  4.4387  -3.490423      5.927088 
1 1 1 -24 26  3  o 19.943  3.2109  68.965    17.048    49.549    25.285    85.149    23.085    16.614  5.1493  23.273  3.8371  -6.658712      6.421751 
1 1 1 -24 26  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 26  5  o 19.918  3.1000  65.310    16.087    55.784    21.744    76.829    23.911    18.179  4.4917  21.657  4.2737  -3.477827      6.199970 
1 1 1 -24 26  6  o 29.970  2.6503  141.500   20.456    160.591   28.464    121.107   29.419    32.552  3.3107  27.387  4.1395  5.164303       5.300599 
1 1 1 -24 26  7  o 11.143  3.0139  16.990    12.732    10.051    17.192    25.419    18.947    9.8122  4.0453  12.473  4.4687  -2.660640      6.027735 
1 1 1 -24 26  8  o 16.968  3.0336  47.403    15.394    20.309    20.706    80.890    23.019    11.636  4.5613  22.301  4.0007  -10.66502      6.067250 
1 1 1 -24 26  9  o 8.5928  2.6560  2.6788    11.627    5.5101    15.484    -0.9807   17.604    8.7887  3.7438  8.3969  3.7684  0.3917704      5.311973 
1 1 1 -24 26  10 o 17.380  3.1189  53.428    15.303    33.864    21.153    74.909    22.166    13.610  4.7353  21.150  4.0603  -7.539797      6.237713 
1 1 1 -24 27  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -24 27  2  o 9.3854  3.7321  10.357    14.046    10.357    14.046    0.0000    0.0000    9.3854  3.7321  ?       ?       ?              ?        
1 1 1 -24 27  3  o 7.5659  2.4340  -7.3017   11.474    3.6554    14.746    -24.1129  18.265    8.4416  3.6261  6.6902  3.2479  1.751457       4.867956 
1 1 1 -24 27  4  o 17.581  3.0775  52.599    15.164    32.096    20.744    76.129    22.223    13.548  4.6906  21.614  3.9854  -8.066537      6.155077 
1 1 1 -24 27  5  f 9.2006  2.7563  6.3184    12.072    12.428    15.919    -1.9511   18.521    9.9161  3.9635  8.4851  3.8315  1.431032       5.512633 
1 1 1 -24 27  6  o 19.685  3.1333  67.595    16.744    41.366    22.929    97.563    24.509    14.876  4.9336  24.493  3.8640  -9.617329      6.266654 
1 1 1 -24 27  7  o 7.3839  2.3787  -9.7169   10.680    -22.0952  14.051    7.2166    16.434    5.6648  2.7716  9.1030  3.8668  -3.438193      4.757474 
1 1 1 -24 27  8  o 10.823  3.0314  16.000    13.477    5.8044    18.233    28.282    20.011    9.1244  3.9754  12.522  4.5775  -3.398090      6.062779 
1 1 1 -24 28  1  f 9.0792  2.7513  0.1631    12.720    -14.6103  16.997    18.973    19.179    6.9801  3.3210  11.178  4.3875  -4.198091      5.502668 
1 1 1 -24 28  2  o 10.121  2.9389  11.338    12.877    4.2439    17.159    20.483    19.482    8.8508  3.8563  11.391  4.4358  -2.540613      5.877759 
1 1 1 -24 28  3  o 14.486  3.3197  39.171    14.828    42.518    20.104    35.178    21.959    15.259  4.5645  13.713  4.8216  1.545926       6.639482 
1 1 1 -24 28  4  o 10.612  2.8615  9.9590    12.643    -7.6998   16.436    35.550    19.786    7.3661  3.4285  13.857  4.5824  -6.490946      5.723011 
1 1 1 -24 28  5  f 7.7646  2.5261  -6.5393   12.571    3.3548    16.481    -20.3061  19.440    8.4987  3.7390  7.0305  3.3978  1.468223       5.052228 
1 1 1 -24 29  1  o 10.480  3.0216  16.518    13.307    16.776    17.560    16.170    20.392    10.429  4.1648  10.530  4.3789  -0.1014090     6.043196 
1 1 1 -24 29  2  o 9.4785  2.8817  9.7136    13.121    10.650    17.206    8.4130    20.282    9.4416  3.9805  9.5153  4.1680  -0.7369900E-01 5.763384 
1 1 1 -23 -23 15 o 40.372  3.7480  239.616   40.067    239.616   40.067    0.0000    0.0000    40.372  3.7480  ?       ?       ?              ?        
1 1 1 -23 -23 16 f 10.772  4.6248  4.9598    23.966    4.9598    23.966    0.0000    0.0000    10.772  4.6248  ?       ?       ?              ?        
1 1 1 -23 -22 6  o 36.826  3.4149  196.387   33.301    0.0000    0.0000    196.387   33.301    ?       ?       36.826  3.4149  ?              ?        
1 1 1 -23 -22 7  o 25.905  3.4636  97.516    20.392    121.953   41.537    89.755    23.407    27.107  5.8893  24.704  3.6473  2.403797       6.927187 
1 1 1 -23 -22 8  o 46.406  2.3278  308.137   28.601    345.663   40.965    272.447   39.950    49.327  3.1165  43.485  3.4585  5.841965       4.655570 
1 1 1 -23 -22 9  o 14.539  3.1648  27.749    14.926    53.364    22.762    8.4278    19.770    18.531  4.6059  10.546  4.3417  7.985213       6.329660 
1 1 1 -23 -22 10 o 21.061  3.1145  67.331    16.930    71.654    25.405    63.877    22.706    21.608  4.5342  20.515  4.2710  1.092907       6.228986 
1 1 1 -23 -22 11 o 20.049  3.3451  62.359    17.638    63.639    25.902    61.252    24.086    20.179  4.8520  19.919  4.6062  0.2597923      6.690215 
1 1 1 -23 -22 12 o 8.2046  2.5118  -2.6920   10.999    -27.6380  20.110    7.9551    13.138    7.2141  3.4788  9.1951  3.6243  -1.981044      5.023699 
1 1 1 -23 -22 13 o 32.323  3.7902  152.301   32.191    152.301   32.191    0.0000    0.0000    32.323  3.7902  ?       ?       ?              ?        
1 1 1 -23 -22 14 o 22.633  4.7914  79.191    28.142    79.191    28.142    0.0000    0.0000    22.633  4.7914  ?       ?       ?              ?        
1 1 1 -23 -22 15 o 32.597  4.5773  177.234   31.312    177.759   35.063    175.167   69.584    34.933  3.8091  30.260  8.3244  4.672401       9.154534 
1 1 1 -23 -22 16 o 42.442  3.8820  272.109   36.032    263.407   41.109    300.955   74.848    42.729  3.6261  42.155  6.8652  0.5738907      7.763970 
1 1 1 -23 -22 17 o 15.055  3.3585  27.042    16.918    61.274    26.694    4.0619    21.871    19.701  5.0386  10.409  4.4421  9.292341       6.717077 
1 1 1 -23 -22 18 o 29.607  3.8411  128.573   29.743    0.0000    0.0000    128.573   29.743    ?       ?       29.607  3.8411  ?              ?        
1 1 1 -23 -22 19 o 24.809  4.1820  92.329    26.802    0.0000    0.0000    92.329    26.802    ?       ?       24.809  4.1820  ?              ?        
1 1 1 -23 -22 20 o 31.272  4.7715  150.303   38.702    0.0000    0.0000    150.303   38.702    ?       ?       31.272  4.7715  ?              ?        
1 1 1 -23 -22 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -22 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -22 23 o 8.9902  4.0267  -4.4801   19.994    0.0000    0.0000    -4.4801   19.994    ?       ?       8.9902  4.0267  ?              ?        
1 1 1 -23 -22 24 o 16.597  5.1628  44.839    25.392    0.0000    0.0000    44.839    25.392    ?       ?       16.597  5.1628  ?              ?        
1 1 1 -23 -21 2  o 28.509  2.6123  118.944   19.408    129.657   28.974    110.225   26.139    29.654  3.7304  27.363  3.6580  2.290382       5.224638 
1 1 1 -23 -21 3  o 30.038  2.5610  131.964   20.137    127.088   29.027    136.488   27.959    29.392  3.7743  30.683  3.4626  -1.290770      5.121950 
1 1 1 -23 -21 4  o 15.764  3.2620  36.273    14.625    51.161    23.358    26.673    18.757    18.074  4.7593  13.453  4.4622  4.621200       6.523996 
1 1 1 -23 -21 5  o 29.927  2.6059  132.733   19.873    108.810   29.256    153.227   27.078    27.016  4.1779  32.839  3.1159  -5.822998      5.211875 
1 1 1 -23 -21 6  o 8.6568  2.5608  4.2759    9.3673    -3.9345   18.424    7.1381    10.878    8.7733  3.9019  8.5403  3.3177  0.2329502      5.121664 
1 1 1 -23 -21 7  o 28.051  2.7185  116.022   19.604    101.362   28.564    129.077   26.954    26.098  4.2310  30.005  3.4147  -3.906729      5.437073 
1 1 1 -23 -21 8  f 9.4106  2.8072  3.3770    12.198    -2.6213   18.930    7.6359    15.951    9.0605  3.9958  9.7608  3.9440  -0.7002668     5.614457 
1 1 1 -23 -21 9  o 11.315  3.0760  12.725    13.755    1.5697    19.949    22.836    18.992    9.7820  4.2100  12.848  4.4859  -3.066055      6.152030 
1 1 1 -23 -21 10 o 39.650  3.4573  224.044   36.350    224.044   36.350    0.0000    0.0000    39.650  3.4573  ?       ?       ?              ?        
1 1 1 -23 -21 11 o 18.176  4.9630  51.139    24.842    51.139    24.842    0.0000    0.0000    18.176  4.9630  ?       ?       ?              ?        
1 1 1 -23 -21 12 o 36.483  3.8574  195.181   30.312    186.925   34.282    224.766   64.894    36.129  3.5900  36.836  6.8286  -0.7069740     7.714777 
1 1 1 -23 -21 13 o 21.101  3.8776  61.659    20.012    94.102    39.800    50.682    23.151    24.013  6.1585  18.189  4.7135  5.823362       7.755246 
1 1 1 -23 -21 14 o 38.758  3.4696  213.960   35.637    0.0000    0.0000    213.960   35.637    ?       ?       38.758  3.4696  ?              ?        
1 1 1 -23 -21 15 o 33.153  3.5288  157.267   30.854    0.0000    0.0000    157.267   30.854    ?       ?       33.153  3.5288  ?              ?        
1 1 1 -23 -21 16 o 20.262  4.3887  61.878    23.130    0.0000    0.0000    61.878    23.130    ?       ?       20.262  4.3887  ?              ?        
1 1 1 -23 -21 17 o 24.223  3.9037  85.951    24.467    0.0000    0.0000    85.951    24.467    ?       ?       24.223  3.9037  ?              ?        
1 1 1 -23 -21 18 o 40.984  3.4046  238.993   37.036    0.0000    0.0000    238.993   37.036    ?       ?       40.984  3.4046  ?              ?        
1 1 1 -23 -21 19 o 21.963  4.4792  72.976    25.457    0.0000    0.0000    72.976    25.457    ?       ?       21.963  4.4792  ?              ?        
1 1 1 -23 -21 20 o 44.592  3.4469  283.702   40.850    0.0000    0.0000    283.702   40.850    ?       ?       44.592  3.4469  ?              ?        
1 1 1 -23 -21 21 o 33.640  2.6748  164.424   23.616    163.611   34.580    165.135   32.330    33.457  3.9339  33.823  3.6251  -0.3662987     5.349512 
1 1 1 -23 -21 22 o 34.478  2.7606  176.475   24.409    144.005   35.470    205.685   33.642    31.012  4.3930  37.944  3.3444  -6.932350      5.521171 
1 1 1 -23 -21 23 f 22.698  3.4088  79.149    20.074    95.728    29.941    65.611    27.056    24.995  4.6431  20.401  4.9921  4.594435       6.817570 
1 1 1 -23 -21 24 o 21.567  4.7078  72.360    26.432    0.0000    0.0000    72.360    26.432    ?       ?       21.567  4.7078  ?              ?        
1 1 1 -23 -21 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -21 26 o 36.473  3.7112  195.581   35.751    0.0000    0.0000    195.581   35.751    ?       ?       36.473  3.7112  ?              ?        
1 1 1 -23 -21 27 o 25.950  4.3676  103.853   29.280    0.0000    0.0000    103.853   29.280    ?       ?       25.950  4.3676  ?              ?        
1 1 1 -23 -20 1  o 13.472  3.1015  26.304    12.740    31.076    19.602    22.814    16.763    14.350  4.5468  12.594  4.2196  1.755377       6.203045 
1 1 1 -23 -20 2  o 27.098  2.7129  108.420   18.924    97.201    27.642    118.318   25.962    25.534  4.1869  28.663  3.4510  -3.129276      5.425833 
1 1 1 -23 -20 3  o 35.661  2.3533  180.956   22.204    188.521   32.069    173.990   30.772    36.381  3.3278  34.941  3.3283  1.440376       4.706546 
1 1 1 -23 -20 4  f 26.796  2.6926  103.334   18.507    128.796   27.655    82.682    24.906    29.951  3.5140  23.641  4.0807  6.309563       5.385199 
1 1 1 -23 -20 5  o 30.396  2.4900  132.859   19.800    125.124   28.703    139.881   27.348    29.425  3.7254  31.368  3.3047  -1.943455      4.979916 
1 1 1 -23 -20 6  o 23.498  2.9453  81.388    17.823    72.955    24.506    90.858    25.968    22.117  4.2915  24.879  4.0351  -2.762398      5.890598 
1 1 1 -23 -20 7  o 14.172  4.8065  28.802    21.754    28.802    21.754    0.0000    0.0000    14.172  4.8065  ?       ?       ?              ?        
1 1 1 -23 -20 8  o 35.867  3.4051  182.527   32.320    182.527   32.320    0.0000    0.0000    35.867  3.4051  ?       ?       ?              ?        
1 1 1 -23 -20 9  o 21.856  4.3006  70.754    21.559    67.696    23.661    85.710    52.325    21.324  4.2912  22.387  7.4543  -1.063540      8.601228 
1 1 1 -23 -20 10 o 10.916  3.1863  9.4602    13.933    -12.1102  31.449    14.728    15.542    10.847  4.9356  10.984  4.0312  -0.1368217     6.372654 
1 1 1 -23 -20 11 o 21.202  4.1592  66.515    22.776    0.0000    0.0000    66.515    22.776    ?       ?       21.202  4.1592  ?              ?        
1 1 1 -23 -20 12 o 36.967  3.3200  193.056   32.522    0.0000    0.0000    193.056   32.522    ?       ?       36.967  3.3200  ?              ?        
1 1 1 -23 -20 13 o 38.744  3.2815  211.690   33.734    0.0000    0.0000    211.690   33.734    ?       ?       38.744  3.2815  ?              ?        
1 1 1 -23 -20 14 o 26.718  3.8587  103.418   26.815    0.0000    0.0000    103.418   26.815    ?       ?       26.718  3.8587  ?              ?        
1 1 1 -23 -20 15 o 16.660  2.9622  43.091    15.553    7.0862    23.634    70.592    20.655    11.221  4.6941  22.100  3.6143  -10.87933      5.924337 
1 1 1 -23 -20 16 o 15.843  3.0303  30.127    15.079    69.201    24.117    5.0470    19.322    21.552  4.3281  10.134  4.2424  11.41774       6.060573 
1 1 1 -23 -20 17 o 49.764  2.3202  348.444   30.742    361.305   44.069    336.253   42.905    50.673  3.2642  48.854  3.2981  1.819218       4.640322 
1 1 1 -23 -20 18 o 48.536  2.3166  331.748   29.934    335.712   42.833    327.963   41.851    48.806  3.2959  48.266  3.2563  0.5402565      4.633166 
1 1 1 -23 -20 19 o 17.405  3.4668  45.505    17.048    58.311    25.337    34.911    23.044    19.495  4.8672  15.315  4.9380  4.179309       6.933547 
1 1 1 -23 -20 20 o 15.032  3.3392  31.503    15.627    48.738    23.438    17.711    20.967    17.833  4.8006  12.231  4.6428  5.602289       6.678414 
1 1 1 -23 -20 21 o 13.103  2.7397  12.240    14.963    -33.7515  21.758    53.512    20.611    7.2953  3.5424  18.910  4.1804  -11.61489      5.479465 
1 1 1 -23 -20 22 o 14.160  3.4749  28.680    16.116    26.400    23.790    30.614    21.909    13.866  5.0029  14.454  4.8240  -0.5877953     6.949828 
1 1 1 -23 -20 23 o 7.9395  2.6022  -14.8803  13.517    -28.3181  20.822    -5.0931   17.770    7.3734  3.5518  8.5057  3.8039  -1.132307      5.204322 
1 1 1 -23 -20 24 o 15.891  3.3565  36.632    16.600    58.437    24.178    17.189    22.831    19.464  4.6925  12.317  4.8004  7.147152       6.712919 
1 1 1 -23 -20 25 o 43.037  2.4337  265.262   27.805    254.920   39.137    275.802   39.509    42.140  3.4991  43.935  3.3834  -1.795166      4.867328 
1 1 1 -23 -20 26 o 25.390  3.2407  100.553   20.903    77.338    30.314    121.596   28.862    22.021  5.2192  28.760  3.8428  -6.738600      6.481322 
1 1 1 -23 -20 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -20 28 o 22.100  4.8970  77.626    28.225    77.626    28.225    0.0000    0.0000    22.100  4.8970  ?       ?       ?              ?        
1 1 1 -23 -20 29 o 11.568  3.3677  11.923    16.962    5.9810    23.836    18.020    24.144    10.807  4.6252  12.330  4.8962  -1.523176      6.735335 
1 1 1 -23 -19 1  o 14.524  3.1962  31.489    13.729    30.264    20.650    32.459    18.379    14.331  4.6786  14.717  4.3558  -0.3860626     6.392328 
1 1 1 -23 -19 2  o 16.152  3.2071  39.723    14.441    36.684    21.775    42.109    19.295    15.587  4.7699  16.716  4.2885  -1.129018      6.414274 
1 1 1 -23 -19 3  o 25.145  2.5635  90.857    16.603    107.806   24.240    75.879    22.787    27.504  3.3603  22.785  3.8723  4.718557       5.127017 
1 1 1 -23 -19 4  o 28.692  2.5507  117.846   19.143    113.567   26.251    122.706   27.975    28.153  3.5608  29.230  3.6530  -1.076176      5.101307 
1 1 1 -23 -19 5  o 6.1569  3.0126  -30.1738  16.611    -30.1738  16.611    0.0000    0.0000    6.1569  3.0126  ?       ?       ?              ?        
1 1 1 -23 -19 6  o 8.8091  3.8109  -0.2240   16.517    -0.2240   16.517    0.0000    0.0000    8.8091  3.8109  ?       ?       ?              ?        
1 1 1 -23 -19 7  o 19.025  2.8553  53.034    13.952    56.661    21.634    50.450    18.257    19.500  4.2611  18.551  3.8020  0.9489574      5.710685 
1 1 1 -23 -19 8  o 11.488  4.0371  17.324    15.394    0.0000    0.0000    17.324    15.394    ?       ?       11.488  4.0371  ?              ?        
1 1 1 -23 -19 9  o 9.9752  3.8995  9.5860    15.100    0.0000    0.0000    9.5860    15.100    ?       ?       9.9752  3.8995  ?              ?        
1 1 1 -23 -19 10 o 30.192  3.3844  129.236   26.898    0.0000    0.0000    129.236   26.898    ?       ?       30.192  3.3844  ?              ?        
1 1 1 -23 -19 11 o 5.5254  2.6685  -18.1654  11.942    0.0000    0.0000    -18.1654  11.942    ?       ?       5.5254  2.6685  ?              ?        
1 1 1 -23 -19 12 f 46.912  2.2438  308.719   27.955    286.320   39.666    330.821   39.403    45.126  3.3047  48.699  3.0359  -3.572605      4.487550 
1 1 1 -23 -19 13 o 15.147  3.1489  33.833    13.502    35.519    20.826    32.611    17.733    15.449  4.6513  14.844  4.2459  0.6043787      6.297830 
1 1 1 -23 -19 14 o 33.094  2.4512  155.326   21.143    184.349   30.565    128.696   29.278    36.229  3.1821  29.960  3.7292  6.268461       4.902333 
1 1 1 -23 -19 15 o 18.743  3.1015  55.278    16.218    26.917    24.092    78.779    21.932    14.089  5.0400  23.398  3.6161  -9.309149      6.203052 
1 1 1 -23 -19 16 o 12.350  3.2433  18.258    14.096    22.180    22.166    15.595    18.264    13.142  4.8156  11.559  4.3457  1.582914       6.486552 
1 1 1 -23 -19 17 o 30.577  2.4808  133.122   19.739    155.641   28.464    112.259   27.398    33.226  3.2396  27.928  3.7580  5.298122       4.961608 
1 1 1 -23 -19 18 o 10.110  2.8589  -1.7737   13.279    23.552    20.187    -21.0886  17.630    13.163  4.6233  7.0573  3.3645  6.106183       5.717901 
1 1 1 -23 -19 19 o 21.742  3.0975  71.330    17.395    55.074    24.770    87.150    24.435    18.986  4.8526  24.498  3.8508  -5.512821      6.194925 
1 1 1 -23 -19 20 f 41.533  2.3195  243.116   25.589    246.081   36.613    240.284   35.778    41.769  3.2994  41.296  3.2611  0.4736557      4.639097 
1 1 1 -23 -19 21 o 20.138  3.2531  61.495    17.153    59.078    24.898    63.678    23.664    19.675  4.7733  20.600  4.4211  -0.9251862     6.506234 
1 1 1 -23 -19 22 o 30.605  2.5755  134.572   20.649    132.133   29.991    136.772   28.473    30.259  3.7830  30.951  3.4959  -0.6912041     5.150928 
1 1 1 -23 -19 23 o 33.024  2.5116  156.829   21.694    143.052   31.462    169.318   29.954    31.465  3.8108  34.583  3.2727  -3.117191      5.023221 
1 1 1 -23 -19 24 o 36.002  2.4817  185.155   23.621    182.625   33.596    187.628   33.218    35.726  3.5582  36.278  3.4605  -0.5515823     4.963419 
1 1 1 -23 -19 25 o 13.417  3.3250  23.004    16.002    5.6905    23.224    38.657    22.081    10.914  4.6141  15.919  4.7887  -5.005500      6.649920 
1 1 1 -23 -19 26 o 9.9521  3.0078  1.4780    14.405    9.5665    20.990    -5.7241   19.806    10.980  4.4915  8.9246  4.0018  2.054940       6.015605 
1 1 1 -23 -19 27 o 14.200  3.5209  28.577    16.924    37.692    23.894    19.402    23.974    15.660  5.0261  12.741  4.9319  2.919044       7.041718 
1 1 1 -23 -19 28 o 26.144  3.1327  104.836   20.812    81.211    29.515    128.200   29.351    22.725  4.9859  29.563  3.7942  -6.837914      6.265381 
1 1 1 -23 -19 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -19 30 o 12.339  3.8434  8.7768    19.974    10.998    21.806    -2.8022   49.790    11.130  4.5683  13.548  6.1820  -2.417959      7.686773 
1 1 1 -23 -19 31 o 21.764  3.4444  78.016    20.034    103.835   28.180    51.634    28.486    26.025  4.1844  17.502  5.4723  8.522665       6.888793 
1 1 1 -23 -18 1  o 19.500  2.8689  54.811    14.685    84.816    22.398    32.188    19.448    24.277  3.5493  14.722  4.5082  9.554668       5.737750 
1 1 1 -23 -18 2  o 38.403  2.4547  206.723   24.753    190.369   32.471    229.412   38.246    36.681  3.3416  40.126  3.5967  -3.445450      4.909432 
1 1 1 -23 -18 3  o 43.523  3.0779  265.216   35.649    265.216   35.649    0.0000    0.0000    43.523  3.0779  ?       ?       ?              ?        
1 1 1 -23 -18 4  o 23.783  3.7919  81.951    23.344    81.951    23.344    0.0000    0.0000    23.783  3.7919  ?       ?       ?              ?        
1 1 1 -23 -18 5  o 35.797  2.2588  180.157   21.346    199.264   30.516    161.850   29.869    37.746  3.0442  33.849  3.3380  3.896763       4.517668 
1 1 1 -23 -18 6  o 14.830  4.0054  32.453    16.285    0.0000    0.0000    32.453    16.285    ?       ?       14.830  4.0054  ?              ?        
1 1 1 -23 -18 7  o 9.8341  3.7062  10.639    13.300    0.0000    0.0000    10.639    13.300    ?       ?       9.8341  3.7062  ?              ?        
1 1 1 -23 -18 8  o 9.3437  3.8169  5.6723    15.132    0.0000    0.0000    5.6723    15.132    ?       ?       9.3437  3.8169  ?              ?        
1 1 1 -23 -18 9  o 53.267  2.1710  395.130   30.833    407.243   43.724    383.148   43.487    54.109  3.0291  52.426  3.1108  1.682945       4.341936 
1 1 1 -23 -18 10 o 29.961  2.3569  126.675   18.582    127.058   26.744    126.317   25.838    29.979  3.3902  29.942  3.2750  0.3632736E-01  4.713761 
1 1 1 -23 -18 11 o 10.812  2.7990  12.205    10.397    21.302    17.309    7.0688    13.005    12.528  4.2873  9.0969  3.5995  3.431084       5.597938 
1 1 1 -23 -18 12 o 16.667  3.0100  39.441    14.298    62.833    21.397    20.571    19.219    20.740  3.9968  12.594  4.5019  8.146080       6.020025 
1 1 1 -23 -18 13 o 59.756  2.2266  497.532   35.509    505.873   50.294    489.243   50.140    60.274  3.1261  59.239  3.1715  1.034431       4.453191 
1 1 1 -23 -18 14 o 17.310  2.6182  46.994    14.591    -3.7021   22.004    86.780    19.493    9.7443  4.3022  24.875  2.9853  -15.13075      5.236470 
1 1 1 -23 -18 15 o 16.804  3.1150  39.897    14.658    60.926    22.537    24.481    19.296    20.296  4.2804  13.311  4.5268  6.985707       6.230052 
1 1 1 -23 -18 16 o 46.933  2.2012  307.228   27.471    329.783   39.262    285.598   38.450    48.678  3.0263  45.188  3.1973  3.489796       4.402418 
1 1 1 -23 -18 17 o 12.754  3.0864  21.207    13.756    5.2356    21.128    32.959    18.123    10.567  4.4307  14.941  4.2980  -4.373614      6.172856 
1 1 1 -23 -18 18 o 33.716  2.3804  160.364   21.197    167.620   30.442    153.534   29.533    34.477  3.3384  32.956  3.3942  1.520226       4.760824 
1 1 1 -23 -18 19 o 43.291  2.2452  262.369   25.831    276.935   36.968    248.472   36.109    44.501  3.1212  42.080  3.2283  2.421360       4.490430 
1 1 1 -23 -18 20 o 36.619  2.3549  189.418   22.807    181.160   32.591    197.343   31.927    35.767  3.4446  37.471  3.2121  -1.704678      4.709873 
1 1 1 -23 -18 21 o 27.085  2.6332  105.417   18.579    109.459   27.018    101.790   25.589    27.568  3.7568  26.602  3.6907  0.9653873      5.266403 
1 1 1 -23 -18 22 o 35.749  2.4355  183.355   22.537    146.188   32.019    219.849   31.728    31.856  3.8293  39.643  3.0105  -7.786535      4.870998 
1 1 1 -23 -18 23 o 25.172  2.9323  95.299    18.581    70.299    26.778    118.512   25.803    21.499  4.7746  28.846  3.4054  -7.347212      5.864569 
1 1 1 -23 -18 24 o 49.409  2.2524  343.206   29.650    344.870   41.903    341.538   41.959    49.537  3.1748  49.281  3.1960  0.2561607      4.504879 
1 1 1 -23 -18 25 o 53.008  2.2548  395.544   31.835    378.834   45.179    412.022   44.865    51.826  3.2715  54.191  3.1039  -2.364830      4.509597 
1 1 1 -23 -18 26 o 10.918  3.1719  7.0682    15.229    16.621    21.882    -1.9048   21.208    12.164  4.7109  9.6722  4.2487  2.491377       6.343836 
1 1 1 -23 -18 27 o 23.736  3.2070  85.344    19.619    94.264    27.745    76.424    27.747    25.155  4.2706  22.316  4.7856  2.838642       6.414001 
1 1 1 -23 -18 28 o 8.6211  2.7634  -12.7475  14.341    -27.2333  19.951    2.7384    20.628    7.2093  3.4737  10.033  4.2985  -2.823550      5.526700 
1 1 1 -23 -18 29 o 16.265  3.5246  41.272    17.189    50.621    23.799    31.076    24.854    17.978  4.8366  14.553  5.1283  3.424687       7.049238 
1 1 1 -23 -18 30 o 22.891  4.7009  81.406    27.858    0.0000    0.0000    81.406    27.858    ?       ?       22.891  4.7009  ?              ?        
1 1 1 -23 -18 31 o 13.915  5.4402  25.606    29.393    25.606    29.393    0.0000    0.0000    13.915  5.4402  ?       ?       ?              ?        
1 1 1 -23 -18 32 o 15.844  3.6094  40.456    17.598    47.773    25.004    33.273    24.773    17.074  5.0866  14.614  5.1222  2.460581       7.218724 
1 1 1 -23 -17 1  o 46.990  3.0586  308.637   38.286    308.637   38.286    0.0000    0.0000    46.990  3.0586  ?       ?       ?              ?        
1 1 1 -23 -17 2  f 44.769  3.0566  279.938   36.433    279.938   36.433    0.0000    0.0000    44.769  3.0566  ?       ?       ?              ?        
1 1 1 -23 -17 3  o 15.017  2.5502  25.400    12.530    67.301    19.662    -3.2510   16.259    21.651  3.5107  8.3828  3.6997  13.26792       5.100307 
1 1 1 -23 -17 4  o 24.486  3.5699  85.762    22.725    0.0000    0.0000    85.762    22.725    ?       ?       24.486  3.5699  ?              ?        
1 1 1 -23 -17 5  o 29.301  6.7297  138.578   51.703    0.0000    0.0000    138.578   51.703    ?       ?       29.301  6.7297  ?              ?        
1 1 1 -23 -17 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 14 o 28.426  3.7169  114.939   27.623    114.939   27.623    0.0000    0.0000    28.426  3.7169  ?       ?       ?              ?        
1 1 1 -23 -17 15 o 34.972  3.4707  180.853   26.660    182.250   30.710    176.579   53.708    36.126  3.2071  33.818  6.1561  2.308369       6.941428 
1 1 1 -23 -17 16 o 10.308  2.6568  2.5273    12.241    -26.1351  17.951    27.440    16.736    6.8222  3.2891  13.794  4.1733  -6.972214      5.313607 
1 1 1 -23 -17 17 o 16.821  2.9254  42.247    14.725    13.160    21.310    68.823    20.369    11.721  4.6171  21.922  3.5936  -10.20127      5.850765 
1 1 1 -23 -17 18 o 47.981  2.1623  319.882   27.630    333.436   39.475    306.863   38.687    49.001  3.0224  46.961  3.0930  2.039463       4.324556 
1 1 1 -23 -17 19 o 35.136  2.3393  173.784   21.701    164.543   31.107    182.544   30.288    34.147  3.4483  36.124  3.1621  -1.977364      4.678691 
1 1 1 -23 -17 20 o 28.796  2.6079  120.990   18.949    90.978    27.257    149.062   26.361    24.939  4.2317  32.654  3.0493  -7.715014      5.215865 
1 1 1 -23 -17 21 o 12.481  3.1439  18.549    13.779    30.272    20.089    8.1356    18.934    14.440  4.6058  10.521  4.2805  3.919681       6.287725 
1 1 1 -23 -17 22 o 19.637  3.1332  57.624    16.247    73.188    23.459    43.277    22.522    22.346  4.0693  16.928  4.7654  5.417889       6.266401 
1 1 1 -23 -17 23 o 63.790  2.2446  568.881   38.280    563.216   54.465    574.411   53.813    63.406  3.2175  64.175  3.1306  -0.7691650     4.489258 
1 1 1 -23 -17 24 o 29.174  2.4983  121.616   19.120    121.249   27.280    121.971   26.804    29.109  3.5740  29.238  3.4917  -0.1290951     4.996530 
1 1 1 -23 -17 25 o 22.786  3.0538  79.141    17.765    51.123    25.129    107.136   25.119    18.219  4.9986  27.353  3.5095  -9.134092      6.107608 
1 1 1 -23 -17 26 o 33.879  2.4833  164.070   22.131    150.372   31.242    177.867   31.355    32.350  3.6705  35.408  3.3458  -3.057117      4.966566 
1 1 1 -23 -17 27 o 11.134  3.1361  11.664    14.059    10.218    19.826    13.126    19.940    10.911  4.4011  11.358  4.4687  -0.4472694     6.272104 
1 1 1 -23 -17 28 o 29.178  2.7880  125.381   20.664    96.052    28.996    155.649   29.456    25.317  4.4378  33.039  3.3760  -7.722626      5.575949 
1 1 1 -23 -17 29 o 9.4099  2.9410  -2.9459   14.584    -4.7831   20.322    -0.9947   20.943    9.1398  4.0790  9.6799  4.2378  -0.5401316     5.881956 
1 1 1 -23 -17 30 o 31.667  2.6985  146.534   22.419    150.851   31.809    142.273   31.602    32.171  3.7625  31.163  3.8693  1.008310       5.397036 
1 1 1 -23 -17 31 o 22.499  3.2863  78.653    19.152    68.976    27.208    88.157    26.963    20.897  4.9390  24.100  4.3364  -3.202978      6.572522 
1 1 1 -23 -17 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 33 o 18.357  3.6356  55.509    18.591    56.759    26.134    54.227    26.451    18.592  5.0963  18.122  5.1864  0.4698410      7.271247 
1 1 1 -23 -16 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -16 2  o 11.104  4.0450  15.014    15.606    0.0000    0.0000    15.014    15.606    ?       ?       11.104  4.0450  ?              ?        
1 1 1 -23 -16 3  o 10.924  3.8303  15.312    13.853    0.0000    0.0000    15.312    13.853    ?       ?       10.924  3.8303  ?              ?        
1 1 1 -23 -16 4  o 11.796  3.8595  19.113    14.049    0.0000    0.0000    19.113    14.049    ?       ?       11.796  3.8595  ?              ?        
1 1 1 -23 -16 5  o 24.227  2.3664  83.479    14.785    72.386    21.186    94.009    20.643    22.511  3.6378  25.943  3.0276  -3.431959      4.732872 
1 1 1 -23 -16 6  o 18.857  2.8116  51.717    13.714    51.382    20.263    52.000    18.628    18.744  4.1459  18.969  3.7990  -0.2241020     5.623194 
1 1 1 -23 -16 7  o 9.7459  2.6284  9.7780    9.2496    8.7644    15.636    10.324    11.472    10.024  3.9529  9.4679  3.4652  0.5561028      5.256748 
1 1 1 -23 -16 8  o 31.034  2.2137  134.060   18.065    149.607   25.902    119.336   25.207    32.857  2.9755  29.210  3.2785  3.647655       4.427381 
1 1 1 -23 -16 9  o 27.081  2.4355  103.144   17.261    106.536   24.552    99.829    24.271    27.544  3.4000  26.619  3.4882  0.9254913      4.871077 
1 1 1 -23 -16 10 o 36.424  2.1745  183.822   21.011    188.964   29.901    178.807   29.532    36.941  3.0492  35.908  3.1009  1.032730       4.348958 
1 1 1 -23 -16 11 o 58.786  2.1571  476.696   33.848    475.272   47.910    478.116   47.826    58.694  3.0581  58.878  3.0431  -0.1842537     4.314176 
1 1 1 -23 -16 12 o 32.931  2.2691  150.993   19.512    180.227   28.192    124.117   27.032    36.117  2.9398  29.745  3.4573  6.371634       4.538235 
1 1 1 -23 -16 13 o 47.159  2.1574  307.181   27.099    308.162   38.696    306.236   37.964    47.221  3.0762  47.096  3.0255  0.1245689      4.314708 
1 1 1 -23 -16 14 o 55.940  2.1525  431.988   32.114    418.613   45.535    445.225   45.299    55.045  3.1011  56.835  2.9861  -1.790462      4.305067 
1 1 1 -23 -16 15 o 17.378  3.0719  44.322    14.220    44.241    21.116    44.388    19.234    17.332  4.5066  17.424  4.1759  -0.9208488E-01 6.143869 
1 1 1 -23 -16 16 o 18.312  3.6379  41.707    17.091    73.982    33.595    30.436    19.852    22.034  5.6619  14.591  4.5694  7.442495       7.275753 
1 1 1 -23 -16 17 o 65.883  4.1268  614.527   72.456    0.0000    0.0000    614.527   72.456    ?       ?       65.883  4.1268  ?              ?        
1 1 1 -23 -16 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -16 19 o 33.678  3.2563  158.605   29.007    158.605   29.007    0.0000    0.0000    33.678  3.2563  ?       ?       ?              ?        
1 1 1 -23 -16 20 o 32.025  2.3453  145.160   19.578    124.589   28.086    164.604   27.306    29.645  3.6118  34.406  2.9928  -4.761583      4.690662 
1 1 1 -23 -16 21 o 12.801  3.1613  21.724    13.402    18.477    19.168    24.830    18.747    12.241  4.4793  13.361  4.4623  -1.119542      6.322619 
1 1 1 -23 -16 22 o 26.235  2.5451  98.209    17.405    97.856    24.933    98.545    24.309    26.162  3.6581  26.307  3.5397  -0.1449413     5.090288 
1 1 1 -23 -16 23 o 26.116  2.7642  100.582   18.166    74.950    26.036    124.896   25.358    22.455  4.4857  29.777  3.2313  -7.321617      5.528380 
1 1 1 -23 -16 24 o 22.576  2.9420  75.616    17.010    59.483    24.030    91.820    24.082    19.875  4.6042  25.277  3.6638  -5.401918      5.884056 
1 1 1 -23 -16 25 o 20.781  3.0590  66.171    16.738    37.868    23.698    94.340    23.643    15.898  4.9947  25.664  3.5331  -9.766152      6.117951 
1 1 1 -23 -16 26 o 32.247  2.4078  147.694   20.469    154.618   29.296    141.089   28.611    33.016  3.3596  31.478  3.4499  1.537464       4.815503 
1 1 1 -23 -16 27 o 38.703  2.3373  212.280   23.950    201.957   34.241    222.167   33.510    37.697  3.4287  39.708  3.1773  -2.011749      4.674537 
1 1 1 -23 -16 28 o 29.365  2.6920  125.485   20.512    111.182   29.170    139.475   28.849    27.520  4.0809  31.210  3.5120  -3.689342      5.384058 
1 1 1 -23 -16 29 o 21.616  3.1374  73.514    18.124    34.002    25.642    112.953   25.619    15.187  5.2175  28.045  3.4857  -12.85795      6.274767 
1 1 1 -23 -16 30 o 16.848  3.1040  41.317    17.388    78.039    24.123    1.6048    25.086    22.917  4.0793  10.779  4.6797  12.13885       6.208075 
1 1 1 -23 -16 31 o 19.995  3.4018  62.383    18.731    38.257    26.015    88.357    26.992    15.773  5.2563  24.217  4.3197  -8.444383      6.803568 
1 1 1 -23 -16 32 o 48.174  2.3958  333.001   30.690    315.971   43.037    350.622   43.777    46.854  3.4537  49.494  3.3215  -2.640125      4.791675 
1 1 1 -23 -16 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -16 34 o 19.897  3.6799  64.903    20.074    51.106    27.429    80.816    29.457    17.504  5.3530  22.290  5.0508  -4.785656      7.359735 
1 1 1 -23 -15 1  o 17.594  3.7025  44.845    16.895    0.0000    0.0000    44.845    16.895    ?       ?       17.594  3.7025  ?              ?        
1 1 1 -23 -15 2  o 26.804  3.2340  100.749   22.749    0.0000    0.0000    100.749   22.749    ?       ?       26.804  3.2340  ?              ?        
1 1 1 -23 -15 3  o 25.488  2.3667  91.351    15.749    96.544    22.473    86.340    22.077    26.238  3.2687  24.738  3.4236  1.499159       4.733410 
1 1 1 -23 -15 4  o 43.243  2.0465  257.758   23.563    261.475   33.193    253.982   33.455    43.573  2.8600  42.913  2.9281  0.6598358      4.093054 
1 1 1 -23 -15 5  o 36.711  2.0634  185.973   20.121    188.165   28.415    183.769   28.495    36.938  2.8952  36.485  2.9408  0.4530602      4.126855 
1 1 1 -23 -15 6  o 16.776  2.7793  41.968    12.661    25.310    18.500    56.644    17.365    13.545  4.4287  20.008  3.3593  -6.463482      5.558649 
1 1 1 -23 -15 7  o 40.178  2.0539  222.375   21.929    232.168   30.877    212.408   31.150    41.106  2.8215  39.250  2.9854  1.856010       4.107755 
1 1 1 -23 -15 8  o 31.583  2.2050  138.857   18.127    166.362   25.950    112.649   25.331    34.777  2.8098  28.388  3.3989  6.388874       4.409992 
1 1 1 -23 -15 9  o 38.490  2.1025  204.263   21.472    191.627   30.339    216.946   30.394    37.256  3.0676  39.725  2.8760  -2.469345      4.204901 
1 1 1 -23 -15 10 o 11.468  2.9339  15.424    11.462    18.375    17.768    13.321    15.000    12.159  4.3305  10.776  3.9596  1.383646       5.867829 
1 1 1 -23 -15 11 o 13.688  2.9951  26.086    11.995    28.469    18.454    24.342    15.785    14.200  4.3987  13.176  4.0661  1.024780       5.990143 
1 1 1 -23 -15 12 o 46.122  2.1070  292.718   25.868    282.944   36.855    302.209   36.318    45.330  3.0532  46.914  2.9045  -1.584164      4.214082 
1 1 1 -23 -15 13 o 39.092  2.1485  210.529   22.309    216.437   32.162    205.051   30.971    39.617  3.0545  38.567  3.0223  1.050201       4.296987 
1 1 1 -23 -15 14 o 68.792  2.1855  649.501   40.268    657.640   57.350    641.586   56.553    69.216  3.0934  68.368  3.0882  0.8472748      4.371078 
1 1 1 -23 -15 15 o 20.272  2.8208  62.025    14.830    31.010    21.163    91.947    20.787    14.833  4.7270  25.711  3.0796  -10.87860      5.641692 
1 1 1 -23 -15 16 o 49.383  2.0858  335.207   27.447    351.011   39.291    320.145   38.358    50.538  2.9150  48.228  2.9841  2.309933       4.171535 
1 1 1 -23 -15 17 o 24.457  2.5951  84.503    16.427    93.678    23.825    76.188    22.679    25.786  3.5431  23.127  3.7926  2.659344       5.190121 
1 1 1 -23 -15 18 o 29.997  2.2923  125.318   18.102    133.617   26.014    117.526   25.206    30.991  3.1788  29.003  3.3037  1.988783       4.584669 
1 1 1 -23 -15 19 o 35.895  2.1760  179.055   20.655    168.201   29.645    189.295   28.795    34.771  3.2196  37.018  2.9280  -2.247643      4.351946 
1 1 1 -23 -15 20 o 53.409  3.8309  401.205   54.438    0.0000    0.0000    401.205   54.438    ?       ?       53.409  3.8309  ?              ?        
1 1 1 -23 -15 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -15 22 f 18.911  3.9101  44.636    18.800    33.722    21.502    80.064    38.740    15.232  4.7530  22.590  6.2100  -7.357873      7.820153 
1 1 1 -23 -15 23 o 44.699  2.1885  279.045   25.836    240.821   36.415    317.785   36.660    41.475  3.3054  47.924  2.8692  -6.448467      4.376965 
1 1 1 -23 -15 24 o 37.675  2.2410  198.645   22.356    214.276   31.870    183.502   31.369    39.197  3.0598  36.152  3.2750  3.045506       4.481990 
1 1 1 -23 -15 25 f 13.480  2.9801  21.177    13.792    0.2099    18.742    45.942    20.369    9.4225  4.0679  17.537  4.3561  -8.114310      5.960130 
1 1 1 -23 -15 26 o 14.545  3.1191  29.735    14.480    47.419    20.314    11.470    20.645    17.803  4.3069  11.286  4.5127  6.516532       6.238157 
1 1 1 -23 -15 27 o 38.490  2.2681  208.764   23.151    204.292   33.138    213.028   32.356    38.039  3.2846  38.940  3.1286  -0.9013252     4.536158 
1 1 1 -23 -15 28 o 20.159  3.1422  61.254    16.514    64.541    23.464    58.029    23.246    20.743  4.3616  19.574  4.5244  1.168537       6.284416 
1 1 1 -23 -15 29 o 15.590  3.4326  36.770    15.987    41.577    22.182    31.575    23.061    16.494  4.7580  14.685  4.9489  1.808781       6.865191 
1 1 1 -23 -15 30 o 15.163  3.2482  31.827    15.954    10.178    22.073    55.510    23.087    11.269  4.6074  19.057  4.5798  -7.787911      6.496401 
1 1 1 -23 -15 31 o 22.783  3.2057  79.003    18.863    83.545    26.401    74.268    26.959    23.577  4.3407  21.989  4.7186  1.588366       6.411465 
1 1 1 -23 -15 32 o 32.315  2.7784  153.429   23.532    159.380   33.239    147.450   33.319    33.019  3.8294  31.611  4.0266  1.408127       5.556820 
1 1 1 -23 -15 33 o 14.239  2.8278  11.956    17.248    69.382    24.228    -47.0566  24.560    21.266  4.3985  7.2114  3.5553  14.05493       5.655667 
1 1 1 -23 -15 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -15 35 f 8.3927  2.6741  -28.6301  15.414    12.318    20.856    -77.9246  22.883    11.082  4.4986  5.7038  2.8925  5.377900       5.348257 
1 1 1 -23 -14 1  o 33.881  2.1432  158.611   19.195    174.175   27.868    144.561   26.478    35.496  2.9581  32.266  3.1020  3.230495       4.286304 
1 1 1 -23 -14 2  o 12.398  2.9327  19.991    11.559    26.358    17.148    14.688    15.649    13.665  4.2414  11.131  4.0512  2.533885       5.865309 
1 1 1 -23 -14 3  o 18.041  2.5916  46.367    12.084    53.102    17.738    40.534    16.507    19.310  3.5606  16.772  3.7666  2.538610       5.183185 
1 1 1 -23 -14 4  o 10.908  2.7391  14.405    10.261    8.6979    15.367    18.997    13.785    9.9982  3.9264  11.817  3.8202  -1.819002      5.478224 
1 1 1 -23 -14 5  o 29.383  2.1889  120.139   16.833    134.572   23.696    105.436   23.917    31.261  2.8618  27.506  3.3130  3.755142       4.377851 
1 1 1 -23 -14 6  o 50.546  2.0172  349.847   27.196    343.052   38.254    356.791   38.672    50.043  2.8659  51.048  2.8395  -1.005444      4.034380 
1 1 1 -23 -14 7  o 19.211  2.5747  52.530    12.720    52.017    18.804    52.963    17.271    19.074  3.8138  19.348  3.4598  -0.2733402     5.149308 
1 1 1 -23 -14 8  o 35.396  2.0723  172.663   19.373    191.073   27.407    154.277   27.389    37.350  2.7591  33.442  3.0927  3.908054       4.144564 
1 1 1 -23 -14 9  o 23.058  2.3977  74.455    14.357    75.237    20.707    73.731    19.924    23.162  3.4426  22.955  3.3384  0.2070732      4.795406 
1 1 1 -23 -14 10 o 16.038  2.8586  36.397    12.375    46.459    18.443    28.157    16.689    17.987  3.9375  14.090  4.1452  3.896670       5.717160 
1 1 1 -23 -14 11 o 40.946  2.0544  230.011   22.355    243.495   31.667    216.617   31.562    42.176  2.8195  39.716  2.9889  2.460163       4.108868 
1 1 1 -23 -14 12 o 32.247  2.2099  144.020   18.536    175.072   26.696    115.113   25.757    35.735  2.8118  28.759  3.4102  6.975677       4.419884 
1 1 1 -23 -14 13 o 26.520  2.2506  97.707    15.645    95.521    22.517    99.746    21.754    26.200  3.2806  26.839  3.0820  -0.6390114     4.501197 
1 1 1 -23 -14 14 f 23.834  2.4960  80.132    15.368    74.738    22.352    84.968    21.164    22.983  3.7611  24.685  3.2824  -1.701670      4.992014 
1 1 1 -23 -14 15 o 25.051  2.4237  87.604    15.752    99.408    22.853    76.918    21.743    26.732  3.2592  23.370  3.5881  3.361200       4.847357 
1 1 1 -23 -14 16 o 29.561  2.2414  120.990   17.414    133.279   25.062    109.520   24.213    31.062  3.0517  28.060  3.2837  3.001837       4.482776 
1 1 1 -23 -14 17 o 28.247  2.3384  112.100   17.140    97.081    24.713    126.020   23.792    26.285  3.6052  30.209  2.9792  -3.924278      4.676830 
1 1 1 -23 -14 18 f 23.001  2.6136  77.724    14.963    53.044    21.690    100.134   20.668    19.096  4.3392  26.906  2.9145  -7.810259      5.227147 
1 1 1 -23 -14 19 f 50.768  2.0936  354.827   28.301    337.160   40.349    371.934   39.705    49.474  3.0599  52.062  2.8583  -2.587883      4.187200 
1 1 1 -23 -14 20 o 19.317  2.8486  53.839    14.244    56.558    20.810    51.443    19.538    19.774  4.0649  18.860  3.9920  0.9140930      5.697282 
1 1 1 -23 -14 21 o 19.638  2.9111  56.020    14.826    60.576    21.075    51.556    20.862    20.486  3.9842  18.790  4.2454  1.696480       5.822122 
1 1 1 -23 -14 22 f 11.857  4.3547  16.735    18.141    0.0000    0.0000    16.735    18.141    ?       ?       11.857  4.3547  ?              ?        
1 1 1 -23 -14 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -14 24 o 18.714  2.9896  52.003    14.825    66.714    21.003    37.397    20.929    21.515  3.7827  15.914  4.6306  5.601786       5.979263 
1 1 1 -23 -14 25 o 20.446  2.9445  62.556    15.668    39.150    22.002    86.634    22.316    16.215  4.7564  24.676  3.4723  -8.461439      5.888985 
1 1 1 -23 -14 26 o 43.076  2.2115  259.579   25.313    252.358   36.289    266.422   35.327    42.438  3.2164  43.714  3.0360  -1.276390      4.422919 
1 1 1 -23 -14 27 o 17.817  3.2596  48.006    15.704    51.674    22.143    44.293    22.276    18.527  4.5057  17.108  4.7115  1.418846       6.519158 
1 1 1 -23 -14 28 o 50.740  2.2171  361.572   29.855    399.815   42.407    323.991   42.038    53.530  2.9693  47.950  3.2931  5.580273       4.434145 
1 1 1 -23 -14 29 o 13.521  3.0550  22.641    14.740    45.677    20.456    -2.2394   21.258    17.384  4.3916  9.6586  4.2480  7.725467       6.109989 
1 1 1 -23 -14 30 f 16.174  3.3142  39.505    15.942    54.490    22.414    24.162    22.680    18.934  4.4881  13.413  4.8778  5.520796       6.628462 
1 1 1 -23 -14 31 o 21.224  3.3198  69.771    18.655    91.949    26.525    48.067    26.240    24.919  4.1180  17.529  5.2083  7.389626       6.639591 
1 1 1 -23 -14 32 o 12.890  3.4045  20.241    16.325    30.671    22.930    9.5196    23.247    14.441  4.9345  11.339  4.6919  3.102372       6.809082 
1 1 1 -23 -14 33 o 16.446  3.3504  38.802    18.058    8.4508    25.183    70.929    25.909    11.473  4.8253  21.419  4.6495  -9.945941      6.700827 
1 1 1 -23 -14 34 o 11.901  3.3955  13.891    16.921    20.342    23.313    6.7094    24.599    12.688  4.8766  11.115  4.7263  1.572817       6.791092 
1 1 1 -23 -14 35 o 12.889  5.0769  20.742    25.765    20.742    25.765    0.0000    0.0000    12.889  5.0769  ?       ?       ?              ?        
1 1 1 -23 -14 36 o 14.947  3.8293  33.140    20.476    17.226    27.724    52.239    30.372    12.505  5.1440  17.389  5.6739  -4.884300      7.658610 
1 1 1 -23 -13 1  o 29.942  2.1032  123.844   16.625    131.399   23.743    116.578   23.286    30.866  2.9061  29.017  3.0412  1.848558       4.206429 
1 1 1 -23 -13 2  o 27.319  2.1777  103.448   15.649    103.072   22.448    103.803   21.828    27.255  3.1319  27.383  3.0266  -0.1284962     4.355385 
1 1 1 -23 -13 3  o 66.984  2.0841  613.190   37.372    590.439   52.856    635.933   52.847    65.716  3.0029  68.252  2.8908  -2.535889      4.168181 
1 1 1 -23 -13 4  o 11.668  2.7395  17.983    9.9852    19.247    14.590    16.870    13.695    11.984  3.9336  11.352  3.8138  0.6327219      5.478927 
1 1 1 -23 -13 5  f 42.139  1.9745  242.964   22.138    254.230   31.256    231.622   31.361    43.146  2.7184  41.131  2.8645  2.015179       3.949088 
1 1 1 -23 -13 6  o 24.777  2.2869  85.854    14.648    73.218    20.775    98.346    20.657    22.847  3.5070  26.707  2.9362  -3.860348      4.573891 
1 1 1 -23 -13 7  o 35.358  2.0199  171.221   18.961    169.482   26.440    173.063   27.205    35.179  2.8300  35.536  2.8830  -0.3571053     4.039899 
1 1 1 -23 -13 8  o 10.330  2.5959  11.311    9.7568    0.6824    14.346    20.457    13.308    8.4967  3.6111  12.164  3.7301  -3.667359      5.191713 
1 1 1 -23 -13 9  o 22.980  2.3935  74.020    14.220    66.804    20.249    81.040    19.974    21.791  3.5946  24.168  3.1613  -2.376490      4.786949 
1 1 1 -23 -13 10 o 77.496  2.2250  820.078   46.181    814.763   65.577    825.307   65.048    77.236  3.1698  77.757  3.1232  -0.5202637     4.450004 
1 1 1 -23 -13 11 o 10.983  2.7103  13.748    9.9230    21.370    15.241    8.1391    13.074    12.539  4.0131  9.4263  3.6440  3.112955       5.420609 
1 1 1 -23 -13 12 o 9.8856  2.6481  8.9787    9.6588    14.551    14.813    4.8575    12.739    11.039  3.9517  8.7324  3.5260  2.306464       5.296107 
1 1 1 -23 -13 13 o 6.2802  2.0167  -9.4667   7.0461    1.1589    12.283    -14.6780  8.6021    7.9705  3.3619  4.5900  2.2284  3.380549       4.033428 
1 1 1 -23 -13 14 o 12.307  2.3123  15.130    10.825    -16.8061  15.696    44.098    14.949    6.9263  3.2641  17.688  3.2760  -10.76207      4.624536 
1 1 1 -23 -13 15 o 102.075 2.5397  1432.97   69.428    1419.08   98.608    1446.63   97.769    101.559 3.6250  102.590 3.5580  -1.031204      5.079344 
1 1 1 -23 -13 16 o 38.656  2.0661  204.862   21.154    227.495   30.319    183.393   29.529    40.786  2.7921  36.526  3.0461  4.260384       4.132114 
1 1 1 -23 -13 17 o 11.690  2.7866  15.413    11.041    28.416    16.363    4.5460    14.959    14.140  4.0888  9.2398  3.7871  4.900144       5.573153 
1 1 1 -23 -13 18 o 20.419  2.6778  59.449    14.089    56.673    20.251    62.053    19.615    19.902  3.9384  20.937  3.6292  -1.035711      5.355590 
1 1 1 -23 -13 19 o 17.817  2.7441  46.671    12.849    32.103    18.576    60.034    17.791    14.974  4.3642  20.661  3.3280  -5.687120      5.488290 
1 1 1 -23 -13 20 o 13.130  3.0305  23.232    12.555    15.801    18.088    30.140    17.439    11.746  4.3426  14.513  4.2281  -2.766603      6.060949 
1 1 1 -23 -13 21 o 44.323  2.0854  270.214   24.611    278.420   35.031    262.217   34.583    45.001  2.9222  43.646  2.9760  1.355358       4.170789 
1 1 1 -23 -13 22 o 46.834  2.0723  301.903   25.864    302.836   36.669    300.980   36.486    46.904  2.9335  46.763  2.9277  0.1419525      4.144526 
1 1 1 -23 -13 23 o 16.449  2.9835  39.201    13.922    21.964    19.481    57.192    19.902    12.977  4.5425  19.922  3.8692  -6.944489      5.967056 
1 1 1 -23 -13 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -13 25 o 33.225  3.2131  154.328   28.237    154.328   28.237    0.0000    0.0000    33.225  3.2131  ?       ?       ?              ?        
1 1 1 -23 -13 26 o 27.901  2.5519  111.036   18.521    99.468    26.157    122.669   26.230    26.323  3.8215  29.479  3.3832  -3.156086      5.103896 
1 1 1 -23 -13 27 o 49.906  2.1749  347.227   28.931    348.800   41.061    345.675   40.769    50.016  3.0800  49.796  3.0717  0.2201004      4.349863 
1 1 1 -23 -13 28 o 36.208  2.3387  184.999   22.430    186.043   31.902    183.978   31.542    36.304  3.3174  36.112  3.2973  0.1924057      4.677330 
1 1 1 -23 -13 29 o 11.724  3.2705  12.257    15.347    4.3382    20.699    21.925    22.872    10.315  4.3584  13.132  4.8775  -2.816728      6.541084 
1 1 1 -23 -13 30 o 33.653  2.5075  161.949   22.253    167.436   32.013    156.819   30.956    34.210  3.5451  33.097  3.5472  1.112820       5.015055 
1 1 1 -23 -13 31 o 18.057  3.4496  50.523    17.232    42.386    24.432    58.578    24.308    16.582  5.0481  19.531  4.7028  -2.949419      6.899282 
1 1 1 -23 -13 32 o 33.370  2.6959  161.726   23.652    155.882   33.229    167.727   33.673    32.717  3.8666  34.023  3.7578  -1.305801      5.391798 
1 1 1 -23 -13 33 o 21.173  3.5706  70.504    19.974    67.017    28.070    74.079    28.427    20.594  5.1126  21.751  4.9859  -1.156889      7.141276 
1 1 1 -23 -13 34 o 44.326  2.6047  285.395   30.626    298.405   43.736    272.876   42.901    45.373  3.6291  43.280  3.7374  2.092213       5.209473 
1 1 1 -23 -13 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -13 36 o 8.3631  2.5759  1.5890    9.8445    -7.0868   20.276    4.2651    11.261    8.7426  3.9721  7.9836  3.2806  0.7589450      5.151721 
1 1 1 -23 -12 1  o 27.711  2.1470  106.408   15.590    117.324   22.021    95.440    22.074    29.206  2.8514  26.217  3.2105  2.988821       4.293971 
1 1 1 -23 -12 2  o 38.108  1.9794  198.734   20.058    203.200   28.353    194.259   28.380    38.549  2.7643  37.667  2.8337  0.8817253      3.958708 
1 1 1 -23 -12 3  o 16.297  2.5809  38.303    11.056    29.754    15.866    46.372    15.414    14.447  3.9752  18.147  3.2926  -3.699904      5.161735 
1 1 1 -23 -12 4  o 30.116  2.0191  124.383   16.066    115.619   22.453    133.578   22.998    29.001  2.9307  31.231  2.7783  -2.229702      4.038277 
1 1 1 -23 -12 5  o 23.641  2.2458  77.852    13.760    87.143    19.432    68.507    19.489    25.142  2.9412  22.139  3.3947  3.002285       4.491605 
1 1 1 -23 -12 6  o 22.760  2.3753  73.156    13.822    60.634    19.916    84.792    19.199    20.722  3.7252  24.799  2.9482  -4.076904      4.750690 
1 1 1 -23 -12 7  o 51.650  1.9756  363.315   27.229    360.267   38.530    366.356   38.485    51.428  2.8077  51.871  2.7801  -0.4426308     3.951228 
1 1 1 -23 -12 8  o 30.697  2.0891  129.372   16.948    124.371   24.094    134.270   23.843    30.085  3.0313  31.308  2.8753  -1.223598      4.178111 
1 1 1 -23 -12 9  o 50.011  2.0017  341.030   26.676    326.199   37.921    355.561   37.534    48.907  2.9079  51.115  2.7516  -2.207935      4.003381 
1 1 1 -23 -12 10 o 46.487  2.0083  294.717   24.870    284.860   35.319    304.411   35.027    45.696  2.9007  47.279  2.7782  -1.583027      4.016506 
1 1 1 -23 -12 11 o 38.129  2.0089  198.824   20.333    189.559   29.102    207.658   28.420    37.229  2.9424  39.029  2.7359  -1.800213      4.017809 
1 1 1 -23 -12 12 o 38.833  1.9847  205.804   20.470    220.769   29.193    191.328   28.712    40.249  2.7240  37.416  2.8873  2.833485       3.969411 
1 1 1 -23 -12 13 o 29.376  2.1072  118.494   16.324    127.125   23.369    110.271   22.811    30.450  2.9003  28.303  3.0577  2.146971       4.214411 
1 1 1 -23 -12 14 o 49.134  2.0083  330.098   26.222    302.983   37.417    356.271   36.760    47.095  2.9816  51.173  2.6914  -4.078438      4.016675 
1 1 1 -23 -12 15 o 60.413  2.0532  496.364   33.220    504.736   47.387    488.274   46.584    60.914  2.9044  59.913  2.9029  1.001106       4.106364 
1 1 1 -23 -12 16 o 9.5011  2.6345  7.5762    9.7690    8.0843    14.077    7.1042    13.568    9.6501  3.7670  9.3520  3.6841  0.2981167      5.269066 
1 1 1 -23 -12 17 f 57.244  2.0364  447.311   31.101    418.823   44.153    475.367   43.817    55.357  2.9889  59.130  2.7666  -3.773155      4.072746 
1 1 1 -23 -12 18 o 17.321  2.6431  43.323    12.371    67.244    17.812    21.035    17.194    21.985  3.1118  12.658  4.2732  9.326435       5.286212 
1 1 1 -23 -12 19 o 17.966  2.8288  46.665    13.304    39.135    19.047    53.837    18.590    16.468  4.2792  19.465  3.7009  -2.997622      5.657609 
1 1 1 -23 -12 20 o 53.036  2.0317  384.862   28.751    391.929   40.705    377.827   40.615    53.533  2.8491  52.539  2.8973  0.9931488      4.063445 
1 1 1 -23 -12 21 o 45.054  2.0301  278.284   24.370    279.797   34.602    276.795   34.329    45.174  2.8747  44.933  2.8673  0.2411156      4.060202 
1 1 1 -23 -12 22 o 12.041  3.0199  18.030    12.231    20.089    17.360    16.001    17.235    12.436  4.2918  11.646  4.2495  0.7901249      6.039709 
1 1 1 -23 -12 23 f 19.034  2.9484  52.491    14.682    64.403    21.241    41.592    20.317    21.200  3.8838  16.868  4.4372  4.332584       5.896828 
1 1 1 -23 -12 24 o 81.362  2.3444  915.145   51.086    897.620   72.043    932.869   72.451    80.561  3.3387  82.163  3.2921  -1.602638      4.688823 
1 1 1 -23 -12 25 o 32.098  3.3578  144.271   28.442    0.0000    0.0000    144.271   28.442    ?       ?       32.098  3.3578  ?              ?        
1 1 1 -23 -12 26 o 31.890  4.5406  148.021   37.689    148.021   37.689    0.0000    0.0000    31.890  4.5406  ?       ?       ?              ?        
1 1 1 -23 -12 27 o 35.514  2.3083  177.113   21.653    163.573   30.599    190.692   30.644    34.077  3.3977  36.951  3.1255  -2.874058      4.616615 
1 1 1 -23 -12 28 o 20.238  3.1845  61.260    16.820    63.995    23.954    58.601    23.624    20.714  4.4500  19.762  4.5564  0.9525795      6.368940 
1 1 1 -23 -12 29 o 8.5532  2.7469  -9.1580   13.743    -4.9902   18.498    -14.2915  20.530    8.7439  3.8978  8.3625  3.8714  0.3814192      5.493735 
1 1 1 -23 -12 30 o 15.056  3.4693  33.569    16.146    37.431    22.418    29.406    23.273    15.750  4.8432  14.362  4.9685  1.387665       6.938509 
1 1 1 -23 -12 31 o 30.891  2.7553  138.863   22.252    146.709   31.477    131.025   31.460    31.855  3.7618  29.927  4.0268  1.927116       5.510593 
1 1 1 -23 -12 32 o 14.088  3.4306  25.976    16.972    44.196    24.028    7.8363    23.976    16.892  4.9750  11.284  4.7249  5.607613       6.861180 
1 1 1 -23 -12 33 o 24.904  3.2952  94.719    21.150    89.691    30.275    99.513    29.559    24.118  4.8547  25.691  4.4572  -1.573339      6.590471 
1 1 1 -23 -12 34 o 30.834  3.2321  146.853   24.887    187.274   34.984    105.439   35.411    35.896  3.6912  25.772  5.3067  10.12473       6.464170 
1 1 1 -23 -12 35 f 35.593  2.4566  175.538   22.037    210.916   38.579    158.404   26.848    37.844  3.8599  33.342  3.0398  4.502838       4.913175 
1 1 1 -23 -12 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -12 37 o 12.638  3.3422  17.646    13.419    37.611    27.664    11.503    15.346    15.197  5.4045  10.079  3.9335  5.118581       6.684389 
1 1 1 -23 -11 1  o 41.881  1.9573  241.075   21.577    281.001   30.492    201.027   30.538    45.462  2.5138  38.299  3.0009  7.162407       3.914657 
1 1 1 -23 -11 2  o 24.865  2.1567  86.471    13.668    108.024   19.449    65.443    19.211    28.107  2.6133  21.623  3.4317  6.484383       4.313473 
1 1 1 -23 -11 3  o 42.500  1.9057  246.027   21.578    249.380   30.353    242.601   30.681    42.803  2.6607  42.197  2.7291  0.6056404      3.811475 
1 1 1 -23 -11 4  o 35.825  1.9426  175.034   18.482    165.624   25.868    184.847   26.416    34.825  2.7968  36.826  2.6968  -2.001415      3.885216 
1 1 1 -23 -11 5  o 62.674  1.9947  533.123   33.484    539.733   47.347    526.509   47.360    63.068  2.8028  62.280  2.8390  0.7880096      3.989466 
1 1 1 -23 -11 6  o 37.190  1.9425  188.653   19.196    196.085   27.029    181.090   27.267    37.950  2.6762  36.431  2.8162  1.519806       3.884999 
1 1 1 -23 -11 7  o 25.416  2.1126  88.846    14.087    94.866    20.204    83.151    19.651    26.279  2.9197  24.553  3.0541  1.726673       4.225206 
1 1 1 -23 -11 8  o 56.254  2.0096  429.816   30.214    444.869   42.930    415.042   42.531    57.278  2.7982  55.231  2.8850  2.046906       4.019101 
1 1 1 -23 -11 9  o 41.350  1.9747  232.794   21.740    235.546   31.037    230.143   30.461    41.589  2.8026  41.111  2.7826  0.4772034      3.949362 
1 1 1 -23 -11 10 o 61.953  2.0304  520.623   33.688    532.103   48.035    509.511   47.258    62.627  2.8635  61.279  2.8792  1.348286       4.060776 
1 1 1 -23 -11 11 o 19.269  2.4514  52.842    12.076    44.805    17.669    59.887    16.543    17.760  3.8273  20.779  3.0643  -3.019716      4.902816 
1 1 1 -23 -11 12 o 32.900  2.0035  147.723   17.467    156.367   25.095    139.600   24.327    33.848  2.7929  31.951  2.8733  1.896767       4.007055 
1 1 1 -23 -11 13 o 36.608  1.9910  182.707   19.366    187.386   27.825    178.312   26.970    37.063  2.8242  36.153  2.8071  0.9095001      3.981919 
1 1 1 -23 -11 14 o 43.747  1.9803  260.541   23.073    264.196   33.208    257.131   32.081    44.037  2.8303  43.457  2.7705  0.5796356      3.960622 
1 1 1 -23 -11 15 o 58.557  2.0033  465.369   31.416    475.303   44.774    455.735   44.093    59.175  2.8248  57.940  2.8412  1.235374       4.006516 
1 1 1 -23 -11 16 o 33.670  2.0598  155.407   18.361    148.822   26.321    161.648   25.625    32.944  3.0165  34.397  2.8057  -1.453526      4.119615 
1 1 1 -23 -11 17 o 67.629  2.0895  622.473   37.825    597.633   53.544    647.217   53.441    66.259  3.0170  68.998  2.8917  -2.739296      4.179017 
1 1 1 -23 -11 18 o 30.003  2.1886  124.611   17.196    109.637   24.510    139.128   24.133    28.140  3.3155  31.865  2.8578  -3.724739      4.377170 
1 1 1 -23 -11 19 o 30.348  2.2019  128.737   17.201    99.847    24.414    157.217   24.240    26.777  3.4866  33.919  2.6902  -7.142128      4.403800 
1 1 1 -23 -11 20 o 43.783  1.9751  261.859   23.040    264.981   32.858    258.839   32.315    44.039  2.8002  43.527  2.7863  0.5110817      3.950272 
1 1 1 -23 -11 21 o 43.599  2.0439  260.755   23.684    244.077   33.662    277.103   33.329    42.173  2.9995  45.024  2.7772  -2.850559      4.087826 
1 1 1 -23 -11 22 o 19.703  2.7511  55.556    14.000    60.063    19.944    51.176    19.658    20.544  3.7630  18.862  4.0142  1.681814       5.502155 
1 1 1 -23 -11 23 o 31.645  2.2595  140.182   18.635    119.349   26.775    159.751   25.951    29.219  3.4904  34.072  2.8704  -4.853054      4.519037 
1 1 1 -23 -11 24 o 42.224  2.1183  246.236   23.736    228.708   33.790    263.311   33.351    40.678  3.1251  43.769  2.8605  -3.091572      4.236610 
1 1 1 -23 -11 25 o 50.170  2.1159  347.108   28.302    342.969   40.098    351.216   39.952    49.859  3.0167  50.480  2.9679  -0.6213760     4.231878 
1 1 1 -23 -11 26 o 13.499  4.7718  23.858    21.534    0.0000    0.0000    23.858    21.534    ?       ?       13.499  4.7718  ?              ?        
1 1 1 -23 -11 27 o 30.996  3.5305  135.720   28.787    135.720   28.787    0.0000    0.0000    30.996  3.5305  ?       ?       ?              ?        
1 1 1 -23 -11 28 o 20.156  3.1051  60.793    16.503    81.003    23.595    41.439    23.090    23.681  3.8523  16.632  4.8708  7.049114       6.210129 
1 1 1 -23 -11 29 o 16.337  3.0127  38.265    15.889    69.709    22.110    4.6784    22.851    21.857  3.9206  10.817  4.5753  11.04028       6.025324 
1 1 1 -23 -11 30 o 25.358  3.0425  95.138    19.917    98.589    28.125    91.666    28.209    25.882  4.2010  24.833  4.4022  1.049227       6.085026 
1 1 1 -23 -11 31 o 29.792  2.8125  129.436   21.876    126.776   31.007    132.071   30.868    29.448  4.0374  30.137  3.9166  -0.6888008     5.624973 
1 1 1 -23 -11 32 o 11.215  3.1717  0.7947    16.290    -22.5797  21.912    29.675    24.356    8.0222  3.8032  14.407  5.0767  -6.384989      6.343335 
1 1 1 -23 -11 33 o 14.749  2.7132  36.409    13.075    -1.8819   23.086    54.490    15.864    10.030  4.4187  19.468  3.1498  -9.438181      5.426417 
1 1 1 -23 -11 34 o 34.517  2.4752  170.980   21.195    173.152   36.646    169.889   25.981    34.262  4.0730  34.773  2.8137  -0.5105247     4.950376 
1 1 1 -23 -11 35 o 44.112  2.2736  268.893   25.815    313.559   43.425    244.483   32.103    46.612  3.5039  41.613  2.8983  4.998394       4.547224 
1 1 1 -23 -11 36 o 10.146  4.7131  -16.3028  30.814    0.0000    0.0000    -16.3028  30.814    ?       ?       10.146  4.7131  ?              ?        
1 1 1 -23 -11 37 o 19.469  3.2985  62.988    16.175    53.802    29.490    66.941    19.344    17.755  5.5706  21.183  3.5338  -3.427485      6.596919 
1 1 1 -23 -10 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -10 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -10 3  o 8.6489  3.3631  6.4600    11.187    0.0000    0.0000    6.4600    11.187    ?       ?       8.6489  3.3631  ?              ?        
1 1 1 -23 -10 4  o 5.0442  2.4080  -14.0187  2.9844    -12.1482  9.0934    -14.2445  3.1594    5.0442  2.4080  ?       ?       ?              ?        
1 1 1 -23 -10 5  o 30.577  2.5727  126.572   18.789    136.349   35.078    122.638   22.251    31.199  4.3129  29.955  2.8059  1.244106       5.145353 
1 1 1 -23 -10 6  o 35.207  1.9543  168.977   18.262    177.779   25.883    160.251   25.772    36.142  2.6930  34.273  2.8327  1.868305       3.908559 
1 1 1 -23 -10 7  o 44.213  1.9200  265.565   22.625    271.438   32.215    259.851   31.781    44.700  2.7034  43.727  2.7271  0.9732666      3.840002 
1 1 1 -23 -10 8  o 61.607  2.7314  528.278   40.228    503.004   74.743    538.585   47.730    60.166  4.6747  63.048  2.8264  -2.882236      5.462746 
1 1 1 -23 -10 9  o 26.357  3.1162  110.031   18.057    73.546    33.874    124.513   21.342    22.493  5.6345  30.222  2.6637  -7.728994      6.232382 
1 1 1 -23 -10 10 o 43.766  3.6137  263.083   41.984    0.0000    0.0000    263.083   41.984    ?       ?       43.766  3.6137  ?              ?        
1 1 1 -23 -10 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -10 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -10 13 o 73.605  2.8668  770.684   51.147    813.081   61.847    678.954   90.972    77.404  2.9831  69.806  4.8965  7.597725       5.733627 
1 1 1 -23 -10 14 o 71.764  2.1340  699.264   41.009    721.187   58.290    677.779   57.705    72.888  2.9857  70.640  3.0498  2.248177       4.268010 
1 1 1 -23 -10 15 o 65.366  2.0545  579.761   35.952    604.636   51.122    555.419   50.571    66.767  2.8586  63.965  2.9517  2.801773       4.109049 
1 1 1 -23 -10 16 o 45.385  1.9537  280.938   23.563    258.790   33.541    302.521   33.110    43.575  2.8902  47.195  2.6297  -3.620216      3.907499 
1 1 1 -23 -10 17 o 44.807  1.9618  273.189   23.403    290.501   33.490    256.666   32.718    46.213  2.7175  43.400  2.8300  2.812881       3.923527 
1 1 1 -23 -10 18 o 43.699  1.9737  260.224   22.980    259.536   32.608    260.902   32.391    43.638  2.8047  43.761  2.7778  -0.1222878     3.947456 
1 1 1 -23 -10 19 o 20.074  2.5390  57.199    13.075    48.233    18.622    65.918    18.364    18.396  3.9004  21.752  3.2517  -3.356354      5.078016 
1 1 1 -23 -10 20 o 21.763  2.4628  66.921    13.762    59.591    19.978    73.540    18.985    20.515  3.7749  23.010  3.1640  -2.495605      4.925515 
1 1 1 -23 -10 21 o 37.778  2.0185  195.559   20.247    190.293   29.098    200.502   28.192    37.257  2.9397  38.299  2.7668  -1.041859      4.036952 
1 1 1 -23 -10 22 o 35.592  2.1306  174.134   20.109    175.414   28.947    172.940   27.956    35.706  3.0562  35.478  2.9693  0.2280197      4.261114 
1 1 1 -23 -10 23 o 58.387  2.0795  466.422   32.462    460.069   45.925    472.766   45.892    57.943  2.9691  58.831  2.9123  -0.8883438     4.158993 
1 1 1 -23 -10 24 o 40.712  2.1078  228.181   22.817    222.886   32.424    233.376   32.115    40.223  3.0318  41.201  2.9292  -0.9782906     4.215698 
1 1 1 -23 -10 25 f 10.477  2.8721  7.2073    12.502    20.146    17.306    -6.9184   18.082    12.420  4.2851  8.5339  3.8253  3.886345       5.744163 
1 1 1 -23 -10 26 o 52.488  2.1730  380.970   30.379    365.121   43.305    396.326   42.627    51.361  3.1633  53.614  2.9801  -2.253326      4.345984 
1 1 1 -23 -10 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -10 28 o 21.954  3.1966  71.636    18.173    80.758    25.613    62.388    25.789    23.520  4.2209  20.388  4.8017  3.131996       6.393157 
1 1 1 -23 -10 29 o 24.871  3.0581  90.883    19.626    94.823    28.110    87.135    27.413    25.430  4.2788  24.312  4.3704  1.118595       6.116276 
1 1 1 -23 -10 30 o 18.113  3.4794  49.914    17.638    37.803    24.617    62.693    25.285    15.902  5.1013  20.324  4.7330  -4.422626      6.958788 
1 1 1 -23 -10 31 o 13.886  3.0890  25.963    11.825    35.150    22.381    22.405    13.928    15.324  4.8587  12.449  3.8158  2.875228       6.177910 
1 1 1 -23 -10 32 o 31.236  2.3855  135.282   18.851    153.517   32.163    125.740   23.266    32.583  3.7540  29.888  2.9445  2.694769       4.771044 
1 1 1 -23 -10 33 o 6.5353  2.2010  -14.9300  10.007    -35.9549  19.903    -7.8166   11.577    6.6909  3.2789  6.3797  2.9370  0.3111315      4.401975 
1 1 1 -23 -10 34 o 14.203  2.9951  22.616    11.924    52.174    22.798    11.484    13.991    18.372  4.6335  10.034  3.7965  8.338528       5.990182 
1 1 1 -23 -10 35 o 11.645  3.2311  12.962    13.444    23.370    25.516    8.9631    15.817    13.403  5.1136  9.8872  3.9512  3.515313       6.462240 
1 1 1 -23 -10 36 o 21.023  3.1203  58.146    16.223    106.028   30.085    38.517    19.263    26.308  4.4266  15.738  4.3989  10.56999       6.240626 
1 1 1 -23 -10 37 f 22.430  5.3178  83.415    31.462    83.415    31.462    0.0000    0.0000    22.430  5.3178  ?       ?       ?              ?        
1 1 1 -23 -10 38 f 22.303  3.2318  75.876    17.440    91.748    31.898    69.109    20.829    23.348  5.2305  21.258  3.7975  2.089890       6.463635 
1 1 1 -23 -9  1  o 14.702  2.4017  30.433    9.2835    35.335    13.571    26.122    12.727    15.823  3.3086  13.581  3.4822  2.241335       4.803390 
1 1 1 -23 -9  2  o 42.958  1.8600  250.657   21.295    251.358   29.890    249.936   30.347    43.025  2.6060  42.891  2.6546  0.1334076      3.719950 
1 1 1 -23 -9  3  o 65.049  1.9793  573.491   34.464    595.932   48.686    550.954   48.792    66.340  2.7399  63.757  2.8571  2.583122       3.958567 
1 1 1 -23 -9  4  o 22.335  2.1039  69.059    12.193    61.219    17.283    76.828    17.204    21.004  3.1707  23.666  2.7663  -2.661451      4.207807 
1 1 1 -23 -9  5  o 34.232  1.8946  159.472   17.227    154.408   24.281    164.605   24.446    33.675  2.7150  34.790  2.6431  -1.115345      3.789122 
1 1 1 -23 -9  6  o 78.417  2.1528  834.002   45.205    860.557   64.338    808.110   63.528    79.659  3.0154  77.175  3.0733  2.484222       4.305516 
1 1 1 -23 -9  7  o 55.257  1.9445  413.473   28.725    425.333   41.111    402.159   40.153    56.068  2.7375  54.446  2.7624  1.621407       3.889046 
1 1 1 -23 -9  8  o 32.596  1.9420  145.235   16.732    134.814   24.046    155.017   23.297    31.421  2.8895  33.771  2.5954  -2.349318      3.884002 
1 1 1 -23 -9  9  o 16.884  2.3379  40.026    10.176    49.407    14.723    31.445    14.080    18.865  3.0152  14.902  3.5737  3.962951       4.675776 
1 1 1 -23 -9  10 o 7.9797  2.2617  3.3718    7.6514    -2.9598   11.518    8.3731    10.236    7.1151  3.1281  8.8443  3.2674  -1.729133      4.523409 
1 1 1 -23 -9  11 o 25.477  2.0954  89.113    14.017    89.126    20.280    89.101    19.397    25.464  3.0329  25.490  2.8922  -0.2584457E-01 4.190874 
1 1 1 -23 -9  12 o 47.220  1.9267  303.214   24.216    287.372   34.664    318.316   33.845    45.985  2.8280  48.455  2.6175  -2.469997      3.853390 
1 1 1 -23 -9  13 o 51.838  1.9677  365.205   27.186    348.066   38.701    381.900   38.196    50.611  2.8667  53.064  2.6962  -2.453247      3.935431 
1 1 1 -23 -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -9  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -9  16 o 30.784  1.9933  129.850   16.194    120.084   23.159    139.192   22.651    29.608  2.9600  31.959  2.6706  -2.351830      3.986678 
1 1 1 -23 -9  17 o 46.621  1.9467  295.610   24.189    285.632   34.234    305.557   34.182    45.819  2.8030  47.422  2.7023  -1.602459      3.893423 
1 1 1 -23 -9  18 o 76.565  2.1844  797.290   44.795    791.184   63.385    803.382   63.315    76.267  3.1029  76.863  3.0754  -0.5960922     4.368731 
1 1 1 -23 -9  19 o 52.516  2.0091  375.864   28.123    360.451   40.093    390.794   39.459    51.427  2.9227  53.604  2.7576  -2.177616      4.018270 
1 1 1 -23 -9  20 o 47.357  1.9940  305.545   25.173    312.292   36.043    299.121   35.173    47.868  2.8237  46.846  2.8163  1.021358       3.988066 
1 1 1 -23 -9  21 o 44.077  2.0422  265.746   23.942    252.759   34.110    278.357   33.613    42.982  2.9813  45.173  2.7918  -2.190590      4.084359 
1 1 1 -23 -9  22 o 44.394  2.0234  269.432   23.920    280.092   33.962    258.940   33.695    45.284  2.8139  43.504  2.9084  1.779308       4.046844 
1 1 1 -23 -9  23 o 22.494  2.7609  74.202    15.515    43.237    21.767    106.181   22.121    17.263  4.6175  27.724  3.0281  -10.46109      5.521785 
1 1 1 -23 -9  24 o 31.045  2.2835  133.599   18.648    146.539   26.676    121.231   26.080    32.572  3.0948  29.518  3.3584  3.054119       4.566943 
1 1 1 -23 -9  25 o 8.4956  2.6449  -3.6876   11.701    -1.7070   16.158    -5.8721   16.969    8.6346  3.7523  8.3565  3.7286  0.2781372      5.289773 
1 1 1 -23 -9  26 o 43.024  2.2146  256.336   25.309    247.880   36.344    264.299   35.266    42.287  3.2333  43.762  3.0272  -1.475533      4.429226 
1 1 1 -23 -9  27 o 35.837  2.3831  179.289   22.542    196.663   32.416    163.020   31.368    37.580  3.2525  34.094  3.4839  3.486164       4.766157 
1 1 1 -23 -9  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -9  29 o 30.254  2.6891  144.239   18.573    94.170    30.998    172.279   23.198    25.125  4.7809  35.382  2.4632  -10.25710      5.378113 
1 1 1 -23 -9  30 o 13.600  2.9616  26.001    11.117    28.555    20.589    24.950    13.208    14.115  4.6748  13.085  3.6372  1.029559       5.923149 
1 1 1 -23 -9  31 o 22.979  2.8317  81.120    15.604    66.391    26.576    88.868    19.276    20.826  4.8540  25.132  2.9177  -4.306717      5.663441 
1 1 1 -23 -9  32 o 21.055  3.0098  68.080    15.262    60.926    27.336    71.321    18.396    19.752  5.1234  22.358  3.1600  -2.605591      6.019548 
1 1 1 -23 -9  33 o 31.262  2.5607  140.205   19.944    143.616   33.982    138.413   24.633    31.193  4.1716  31.331  2.9709  -0.1370487     5.121390 
1 1 1 -23 -9  34 o 21.679  2.9539  66.313    15.823    85.806    27.684    56.856    19.282    23.770  4.5133  19.588  3.8123  4.181799       5.907869 
1 1 1 -23 -9  35 o 9.1870  2.7545  0.6022    10.594    12.484    20.505    -3.7242   12.373    11.245  4.4970  7.1292  3.1822  4.115578       5.508986 
1 1 1 -23 -9  36 o 23.415  3.1180  84.555    17.691    82.238    30.926    85.681    21.568    22.589  5.2168  24.242  3.4164  -1.653145      6.235913 
1 1 1 -23 -9  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -9  38 o 8.9298  2.7481  -1.1195   13.162    -36.7525  26.373    10.700    15.189    7.9647  3.8749  9.8950  3.8980  -1.930349      5.496273 
1 1 1 -23 -8  1  f 44.191  1.8566  265.053   21.871    265.004   30.587    265.104   31.286    44.193  2.5953  44.188  2.6557  0.5012512E-02  3.713279 
1 1 1 -23 -8  2  f 57.727  1.9232  450.873   29.725    433.445   41.739    468.808   42.343    56.588  2.7538  58.867  2.6855  -2.278400      3.846411 
1 1 1 -23 -8  3  o 21.252  2.0505  62.375    11.330    57.119    16.009    67.649    16.036    20.309  3.0361  22.195  2.7569  -1.885546      4.101033 
1 1 1 -23 -8  4  o 23.736  1.9705  77.256    12.284    75.006    17.335    79.525    17.411    23.376  2.8259  24.095  2.7468  -0.7187977     3.940949 
1 1 1 -23 -8  5  o 75.003  2.1147  762.535   42.467    744.347   60.333    780.394   59.785    74.102  3.0397  75.905  2.9406  -1.802368      4.229300 
1 1 1 -23 -8  6  o 29.925  1.9117  121.891   15.146    128.511   21.795    115.709   21.062    30.722  2.6754  29.129  2.7315  1.592825       3.823416 
1 1 1 -23 -8  7  o 17.932  2.2297  44.685    10.289    51.125    15.000    38.963    14.140    19.203  3.0156  16.661  3.2852  2.541983       4.459444 
1 1 1 -23 -8  8  o 46.006  1.8942  286.792   23.232    294.317   33.440    279.772   32.299    46.588  2.6912  45.424  2.6664  1.164440       3.788467 
1 1 1 -23 -8  9  o 34.603  1.9046  163.022   17.485    156.795   25.086    168.905   24.384    33.939  2.7842  35.268  2.5996  -1.329700      3.809164 
1 1 1 -23 -8  10 o 18.580  2.2683  48.043    10.871    50.194    15.796    46.108    14.983    18.981  3.2223  18.180  3.1935  0.8014336      4.536650 
1 1 1 -23 -8  11 o 26.454  2.0219  95.848    14.078    94.155    20.334    97.406    19.509    26.209  2.9477  26.698  2.7684  -0.4891777     4.043869 
1 1 1 -23 -8  12 o 38.046  1.9143  196.725   19.372    194.309   27.675    199.046   27.127    37.807  2.7518  38.285  2.6619  -0.4784698     3.828591 
1 1 1 -23 -8  13 o 92.771  2.3493  1169.82   58.345    1215.65   82.617    1124.21   82.409    94.609  3.2602  90.932  3.3835  3.676430       4.698655 
1 1 1 -23 -8  14 o 39.709  1.8949  214.127   20.034    218.885   28.514    209.488   28.153    40.149  2.6667  39.268  2.6930  0.8805122      3.789873 
1 1 1 -23 -8  15 o 43.002  1.9016  251.202   21.782    244.888   31.012    257.350   30.600    42.455  2.7418  43.549  2.6358  -1.094139      3.803248 
1 1 1 -23 -8  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -8  17 o 76.651  4.4250  812.064   90.462    812.064   90.462    0.0000    0.0000    76.651  4.4250  ?       ?       ?              ?        
1 1 1 -23 -8  18 o 21.781  2.4019  66.586    13.441    57.583    19.221    75.200    18.802    20.229  3.6831  23.333  3.0840  -3.103674      4.803786 
1 1 1 -23 -8  19 o 67.348  2.0842  616.254   37.574    592.917   53.226    639.438   53.050    66.057  3.0082  68.639  2.8855  -2.581985      4.168414 
1 1 1 -23 -8  20 o 32.152  2.0974  141.575   17.845    149.020   25.531    134.464   24.953    32.996  2.9189  31.308  3.0128  1.688025       4.194834 
1 1 1 -23 -8  21 o 64.953  2.0943  573.925   36.434    580.415   51.767    567.554   51.287    65.318  2.9589  64.588  2.9646  0.7296906      4.188528 
1 1 1 -23 -8  22 o 23.547  2.5597  77.868    15.404    95.734    22.300    61.564    21.303    26.286  3.2356  20.807  3.9673  5.479288       5.119402 
1 1 1 -23 -8  23 o 29.140  2.2900  117.438   17.485    131.847   25.185    104.030   24.294    30.928  3.0812  27.352  3.3886  3.575712       4.579997 
1 1 1 -23 -8  24 o 69.467  2.2152  660.588   41.214    670.114   58.546    651.228   58.029    69.967  3.1240  68.966  3.1414  1.001320       4.430299 
1 1 1 -23 -8  25 o 24.570  2.7185  86.131    17.176    94.653    23.802    76.873    24.809    25.979  3.5105  23.160  4.1518  2.819103       5.437063 
1 1 1 -23 -8  26 o 22.013  3.0364  72.771    17.283    108.292   24.528    37.742    24.357    27.832  3.3581  16.194  5.0597  11.63799       6.072715 
1 1 1 -23 -8  27 o 31.157  2.3203  139.834   17.897    120.643   29.501    151.010   22.512    29.149  3.8746  33.166  2.5538  -4.017284      4.640543 
1 1 1 -23 -8  28 o 26.356  2.8337  96.490    19.690    0.0000    0.0000    96.490    19.690    ?       ?       26.356  2.8337  ?              ?        
1 1 1 -23 -8  29 o 13.013  2.9360  17.002    12.301    43.266    20.895    3.0698    15.218    17.044  4.5078  8.9820  3.7629  8.061676       5.871921 
1 1 1 -23 -8  30 o 41.860  2.2217  244.892   23.877    246.467   39.123    243.958   30.141    41.731  3.5333  41.989  2.6942  -0.2580338     4.443310 
1 1 1 -23 -8  31 o 15.533  3.1033  34.323    12.596    41.066    23.310    31.542    14.971    16.447  4.9140  14.618  3.7913  1.828007       6.206572 
1 1 1 -23 -8  32 o 34.553  2.3244  167.631   20.293    175.341   34.359    163.501   25.148    34.883  3.7354  34.222  2.7672  0.6613312      4.648729 
1 1 1 -23 -8  33 o 25.646  2.7283  94.768    17.274    101.240   29.616    91.430    21.266    25.984  4.4130  25.308  3.2093  0.6762562      5.456579 
1 1 1 -23 -8  34 o 11.002  2.9597  14.326    11.595    8.5298    21.605    16.671    13.742    10.930  4.5231  11.073  3.8186  -0.1430502     5.919456 
1 1 1 -23 -8  35 o 14.870  3.2993  34.746    14.602    23.861    26.541    39.470    17.485    13.598  5.2088  16.141  4.0508  -2.543262      6.598506 
1 1 1 -23 -8  36 o 16.073  3.4691  38.620    15.157    46.325    28.504    35.582    17.897    16.927  5.4954  15.218  4.2354  1.709369       6.938156 
1 1 1 -23 -8  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -8  38 f 23.660  3.3011  89.289    19.152    90.419    33.099    88.721    23.483    23.076  5.4432  24.243  3.7364  -1.167034      6.602192 
1 1 1 -23 -7  1  o 69.946  2.0003  662.418   37.470    672.178   52.882    652.577   53.101    70.471  2.8016  69.421  2.8557  1.049362       4.000557 
1 1 1 -23 -7  2  o 13.160  2.3162  24.666    8.2506    18.593    11.936    30.223    11.417    11.645  3.5247  14.675  3.0058  -3.029843      4.632363 
1 1 1 -23 -7  3  o 65.017  1.9652  571.715   34.224    573.487   48.407    569.945   48.393    65.119  2.7753  64.916  2.7832  0.2031631      3.930448 
1 1 1 -23 -7  4  o 85.246  2.2325  985.326   50.971    982.520   72.433    988.079   71.738    85.120  3.1770  85.373  3.1372  -0.2536469     4.464906 
1 1 1 -23 -7  5  o 42.401  1.8375  243.862   20.749    236.208   29.662    251.194   29.034    41.733  2.6675  43.069  2.5280  -1.335270      3.675046 
1 1 1 -23 -7  6  o 36.872  1.8536  184.740   18.157    178.619   26.141    190.445   25.238    36.262  2.7111  37.483  2.5286  -1.221054      3.707291 
1 1 1 -23 -7  7  o 10.865  2.4382  15.396    8.0550    19.756    11.815    11.609    11.011    11.944  3.4803  9.7858  3.4157  2.157869       4.876380 
1 1 1 -23 -7  8  o 37.697  1.8835  193.872   18.783    175.167   27.013    211.383   26.136    35.887  2.8333  39.508  2.4825  -3.621738      3.767004 
1 1 1 -23 -7  9  o 57.811  1.9662  451.329   30.432    468.011   43.744    435.681   42.365    58.846  2.7753  56.776  2.7858  2.070866       3.932331 
1 1 1 -23 -7  10 o 9.2858  2.2529  8.5594    7.7969    -3.9296   11.718    18.481    10.444    7.0521  3.1252  11.519  3.2459  -4.467441      4.505898 
1 1 1 -23 -7  11 o 30.434  1.9218  126.379   15.463    120.291   22.229    132.087   21.526    29.696  2.8289  31.172  2.6019  -1.475977      3.843511 
1 1 1 -23 -7  12 o 121.248 2.7277  2006.15   88.500    2106.65   125.187   1905.74   125.128   124.341 3.7588  118.156 3.9538  6.185455       5.455391 
1 1 1 -23 -7  13 o 16.680  2.4610  39.341    10.669    49.326    15.276    29.831    14.908    18.832  3.1391  14.528  3.7910  4.303734       4.921968 
1 1 1 -23 -7  14 f 28.604  1.9641  112.105   14.780    101.249   21.076    122.609   20.732    27.191  2.9406  30.016  2.6045  -2.825230      3.928196 
1 1 1 -23 -7  15 o 48.598  1.9016  320.258   24.656    324.031   35.038    316.556   34.701    48.883  2.6864  48.313  2.6923  0.5701523      3.803285 
1 1 1 -23 -7  16 o 54.395  1.9319  400.744   28.095    409.655   39.984    392.054   39.486    55.031  2.7126  53.760  2.7514  1.270836       3.863733 
1 1 1 -23 -7  17 o 34.488  2.5063  162.723   20.945    166.247   38.040    161.189   25.091    34.572  4.1938  34.404  2.7457  0.1681137      5.012667 
1 1 1 -23 -7  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -7  19 o 38.539  2.0127  203.610   20.471    178.157   29.179    228.281   28.728    36.093  3.0468  40.986  2.6307  -4.893753      4.025383 
1 1 1 -23 -7  20 o 104.667 2.5549  1498.27   71.615    1462.99   100.922   1534.05   101.640   103.407 3.6437  105.926 3.5824  -2.518997      5.109814 
1 1 1 -23 -7  21 o 25.335  2.4256  89.535    15.959    83.165    23.023    95.428    22.142    24.395  3.6344  26.276  3.2131  -1.880726      4.851110 
1 1 1 -23 -7  22 o 75.002  2.2417  767.437   45.026    783.839   63.711    751.070   63.641    75.817  3.1373  74.188  3.2027  1.629616       4.483329 
1 1 1 -23 -7  23 o 48.098  2.1197  316.341   27.157    331.107   38.881    302.275   37.948    49.209  2.9637  46.987  3.0314  2.221439       4.239405 
1 1 1 -23 -7  24 o 30.418  2.7754  125.300   21.358    90.353    27.697    176.564   33.546    25.177  4.2592  35.660  3.5596  -10.48389      5.550791 
1 1 1 -23 -7  25 o 46.937  1.9808  293.273   24.350    346.436   39.190    259.844   31.077    50.273  2.9230  43.601  2.6739  6.671665       3.961557 
1 1 1 -23 -7  26 o 17.291  2.6870  49.589    12.387    18.838    20.763    66.580    15.434    12.644  4.6567  21.938  2.6825  -9.293571      5.374030 
1 1 1 -23 -7  27 o 28.496  2.5067  121.153   17.018    93.331    28.397    136.746   21.259    25.424  4.3249  31.567  2.5357  -6.142916      5.013429 
1 1 1 -23 -7  28 o 11.487  2.8403  16.799    11.556    -0.3674   20.438    24.866    14.011    9.8158  4.2428  13.158  3.7773  -3.342156      5.680581 
1 1 1 -23 -7  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -7  30 o 8.4075  2.5266  -1.6081   10.912    -26.2358  19.606    9.4444    13.134    7.2455  3.4793  9.5696  3.6645  -2.324079      5.053146 
1 1 1 -23 -7  31 o 25.418  2.5892  85.357    16.382    125.725   28.484    65.405    20.025    29.597  3.6720  21.240  3.6515  8.356508       5.178497 
1 1 1 -23 -7  32 o 22.091  2.8933  68.150    15.780    87.010    27.595    58.987    19.235    24.104  4.4378  20.078  3.7135  4.025501       5.786566 
1 1 1 -23 -7  33 o 36.279  2.4504  189.045   22.425    185.155   37.339    191.240   28.047    35.619  3.9819  36.939  2.8569  -1.320644      4.900784 
1 1 1 -23 -7  34 o 12.903  3.1851  22.637    12.748    24.887    23.358    21.682    15.214    13.515  4.9448  12.290  4.0161  1.224406       6.370214 
1 1 1 -23 -7  35 o 12.808  3.2668  22.464    13.872    19.671    24.591    23.767    16.800    12.822  4.9862  12.794  4.2221  0.2782822E-01  6.533615 
1 1 1 -23 -7  36 o 36.921  2.5697  200.322   23.656    192.240   39.860    204.718   29.392    35.808  4.2381  38.034  2.9072  -2.226166      5.139388 
1 1 1 -23 -7  37 o 9.3987  3.9063  5.8025    16.216    0.0000    0.0000    5.8025    16.216    ?       ?       9.3987  3.9063  ?              ?        
1 1 1 -23 -7  38 o 23.109  3.3591  88.930    18.822    77.081    33.315    94.485    22.812    20.987  5.7544  25.231  3.4671  -4.244099      6.718174 
1 1 1 -23 -6  1  o 85.498  2.1902  990.756   50.156    991.361   71.029    990.155   70.835    85.523  3.1007  85.473  3.0941  0.4985809E-01  4.380403 
1 1 1 -23 -6  2  o 106.779 2.4919  1549.91   71.268    1561.75   100.976   1538.16   100.603   107.188 3.5171  106.370 3.5311  0.8188934      4.983780 
1 1 1 -23 -6  3  f 87.897  2.2270  1046.68   52.429    1052.75   74.410    1040.70   73.885    88.149  3.1516  87.644  3.1473  0.5045090      4.453999 
1 1 1 -23 -6  4  o 79.119  2.1357  848.065   45.204    809.301   64.399    885.716   63.467    77.310  3.1099  80.928  2.9279  -3.617813      4.271355 
1 1 1 -23 -6  5  o 29.542  1.8664  118.612   14.606    122.087   21.047    115.384   20.287    29.961  2.6500  29.124  2.6289  0.8368664      3.732827 
1 1 1 -23 -6  6  f 33.305  1.8776  151.496   16.505    137.799   23.872    164.038   22.844    31.814  2.8311  34.795  2.4671  -2.981476      3.755182 
1 1 1 -23 -6  7  o 70.711  2.0678  675.991   39.134    673.795   56.398    678.031   54.347    70.587  2.9830  70.835  2.8644  -0.2481995     4.135592 
1 1 1 -23 -6  8  o 51.646  1.9172  360.065   26.434    385.879   38.135    336.189   36.675    53.471  2.6627  49.821  2.7591  3.649712       3.834368 
1 1 1 -23 -6  9  f 61.861  2.0017  517.648   33.125    495.083   47.273    539.418   46.431    60.518  2.9163  63.203  2.7427  -2.685513      4.003436 
1 1 1 -23 -6  10 o 56.399  1.9558  430.130   29.475    449.751   41.946    410.991   41.428    57.714  2.7134  55.084  2.8173  2.630413       3.911505 
1 1 1 -23 -6  11 o 106.526 2.5495  1542.37   72.727    1500.76   102.760   1584.14   102.942   105.066 3.6515  107.986 3.5591  -2.919670      5.099062 
1 1 1 -23 -6  12 o 25.262  1.9734  87.259    13.125    90.211    18.646    84.360    18.479    25.698  2.7517  24.827  2.8294  0.8716164      3.946817 
1 1 1 -23 -6  13 o 25.553  1.9507  89.221    13.136    89.729    18.825    88.738    18.337    25.619  2.7885  25.486  2.7286  0.1321640      3.901370 
1 1 1 -23 -6  14 o 31.802  1.8979  137.633   16.010    135.664   22.833    139.537   22.455    31.569  2.7270  32.035  2.6404  -0.4665298     3.795874 
1 1 1 -23 -6  15 o 17.111  2.4055  41.120    10.632    46.641    15.264    35.917    14.818    18.279  3.2360  15.943  3.5601  2.335979       4.811005 
1 1 1 -23 -6  16 o 89.755  2.3044  1094.01   55.399    1095.31   78.279    1092.70   78.413    89.810  3.2541  89.699  3.2637  0.1106262      4.608787 
1 1 1 -23 -6  17 o 35.051  1.9866  167.174   18.485    173.964   26.614    160.846   25.693    35.743  2.8023  34.358  2.8166  1.385162       3.973180 
1 1 1 -23 -6  18 o 60.662  2.4632  500.826   37.578    506.949   65.160    497.775   45.999    60.703  4.0305  60.621  2.8329  0.8233643E-01  4.926483 
1 1 1 -23 -6  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -6  20 o 18.619  2.6364  49.220    12.699    66.557    18.411    33.487    17.539    21.889  3.2380  15.349  4.1615  6.540357       5.272838 
1 1 1 -23 -6  21 o 25.038  2.3671  86.852    15.467    89.988    22.356    83.972    21.422    25.476  3.3581  24.601  3.3372  0.8749294      4.734296 
1 1 1 -23 -6  22 o 39.644  1.9361  211.329   20.044    229.086   32.091    199.970   25.666    40.942  2.9461  38.346  2.5128  2.595581       3.872165 
1 1 1 -23 -6  23 o 34.714  2.0166  164.191   18.099    168.377   29.219    161.585   23.054    34.991  3.1515  34.437  2.5168  0.5538101      4.033112 
1 1 1 -23 -6  24 o 68.086  2.0920  629.578   37.751    650.343   58.116    614.421   49.653    68.973  3.1458  67.199  2.7586  1.773895       4.184006 
1 1 1 -23 -6  25 o 47.024  2.1858  318.904   25.790    243.067   40.611    370.155   33.386    41.816  3.6628  52.232  2.3864  -10.41528      4.371582 
1 1 1 -23 -6  26 o 50.438  2.0898  353.487   27.375    326.942   43.018    371.553   35.488    48.629  3.3226  52.248  2.5358  -3.618916      4.179698 
1 1 1 -23 -6  27 o 25.991  2.7723  108.592   16.436    61.703    26.833    136.746   20.793    20.392  4.9604  31.591  2.4771  -11.19949      5.544503 
1 1 1 -23 -6  28 o 42.631  2.0671  244.018   23.015    286.971   37.216    217.419   29.287    45.532  3.0695  39.730  2.7694  5.801769       4.134210 
1 1 1 -23 -6  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -6  30 o 51.814  2.1830  372.740   29.550    380.442   46.826    367.642   38.094    52.063  3.3761  51.564  2.7683  0.4986725      4.365936 
1 1 1 -23 -6  31 o 7.3975  2.4243  -12.2993  10.097    -2.7869   18.973    -16.0576  11.926    9.1026  4.0081  5.6925  2.7282  3.410130       4.848509 
1 1 1 -23 -6  32 o 10.976  3.0167  8.6376    11.842    24.370    22.372    2.5147    13.957    13.437  4.8510  8.5156  3.5874  4.921760       6.033359 
1 1 1 -23 -6  33 o 27.282  2.7640  112.392   18.087    97.859    30.819    120.028   22.338    25.362  4.7101  29.203  2.8939  -3.840683      5.528064 
1 1 1 -23 -6  34 o 9.5391  2.8363  5.0342    11.800    -7.1830   22.950    9.4245    13.758    9.4748  4.2729  9.6034  3.7309  -0.1285505     5.672517 
1 1 1 -23 -6  35 o 18.708  3.0786  62.152    16.187    21.064    27.990    82.800    19.842    13.382  5.2851  24.034  3.1588  -10.65211      6.157158 
1 1 1 -23 -6  36 o 16.518  3.3995  43.517    15.528    38.520    27.674    45.814    18.760    15.714  5.4190  17.322  4.1060  -1.607682      6.798901 
1 1 1 -23 -6  37 o 22.076  3.7014  72.720    21.112    0.0000    0.0000    72.720    21.112    ?       ?       22.076  3.7014  ?              ?        
1 1 1 -23 -6  38 o 11.513  3.2891  12.833    14.089    22.655    27.516    9.3432    16.402    13.129  5.2227  9.8972  3.9994  3.231699       6.578109 
1 1 1 -23 -5  1  o 60.296  1.9049  491.457   30.722    519.462   43.376    463.264   43.521    62.037  2.6104  58.556  2.7748  3.481384       3.809715 
1 1 1 -23 -5  2  o 39.306  1.8127  209.949   18.892    231.278   26.639    188.368   26.796    41.354  2.4155  37.258  2.7036  4.096169       3.625456 
1 1 1 -23 -5  3  o 30.583  1.8096  127.170   14.648    116.797   20.669    137.637   20.762    29.302  2.6625  31.863  2.4515  -2.560696      3.619200 
1 1 1 -23 -5  4  o 16.828  2.1596  39.831    9.3179    34.360    13.503    44.805    12.875    15.638  3.3260  18.017  2.7554  -2.379794      4.319101 
1 1 1 -23 -5  5  o 41.842  1.8233  236.729   20.318    241.840   29.453    232.088   28.064    42.268  2.6144  41.416  2.5422  0.8519974      3.646584 
1 1 1 -23 -5  6  o 109.178 2.5668  1618.76   75.002    1582.54   107.451   1653.18   104.738   107.952 3.7161  110.405 3.5418  -2.453011      5.133624 
1 1 1 -23 -5  7  o 51.624  1.9463  361.428   26.752    336.558   38.505    384.635   37.195    49.838  2.8970  53.410  2.6000  -3.572010      3.892633 
1 1 1 -23 -5  8  o 69.546  2.0848  653.507   38.824    650.097   55.495    656.776   54.335    69.360  2.9871  69.731  2.9091  -0.3714447     4.169649 
1 1 1 -23 -5  9  o 41.899  1.8810  237.749   20.996    237.034   29.985    238.437   29.409    41.831  2.6904  41.966  2.6296  -0.1347122     3.762067 
1 1 1 -23 -5  10 o 107.328 2.5349  1564.12   72.804    1644.76   103.089   1483.89   102.833   110.125 3.4949  104.532 3.6728  5.592430       5.069892 
1 1 1 -23 -5  11 o 55.343  1.9041  413.946   28.168    401.346   39.837    426.545   39.835    54.459  2.7398  56.227  2.6450  -1.767738      3.808200 
1 1 1 -23 -5  12 o 86.953  2.2522  1023.80   52.454    1017.51   74.042    1030.14   74.322    86.684  3.1890  87.223  3.1813  -0.5386200     4.504431 
1 1 1 -23 -5  13 o 46.669  1.9003  295.603   23.578    269.407   33.346    321.794   33.343    44.567  2.8078  48.772  2.5613  -4.204975      3.800526 
1 1 1 -23 -5  14 o 70.204  2.0816  666.847   39.138    655.250   55.382    678.417   55.317    69.588  2.9713  70.821  2.9161  -1.232857      4.163221 
1 1 1 -23 -5  15 o 51.534  1.8964  359.765   26.081    358.366   37.191    361.118   36.584    51.429  2.7094  51.639  2.6540  -0.2097702     3.792726 
1 1 1 -23 -5  16 o 14.948  2.4810  32.600    10.529    12.881    15.338    50.177    14.480    10.859  4.0018  19.038  2.9339  -8.178847      4.962070 
1 1 1 -23 -5  17 o 55.649  1.9525  419.410   29.052    428.173   41.314    410.838   40.862    56.262  2.7415  55.036  2.7810  1.226513       3.905054 
1 1 1 -23 -5  18 o 41.170  1.9679  230.536   21.559    227.468   30.910    233.443   30.085    40.889  2.8400  41.450  2.7249  -0.5614243     3.935812 
1 1 1 -23 -5  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -5  20 f 55.389  2.3686  428.738   33.910    470.366   44.358    370.201   52.602    58.908  2.8113  51.871  3.8128  7.037159       4.737194 
1 1 1 -23 -5  21 o 23.451  2.1623  72.383    12.846    90.821    21.716    62.459    15.932    25.632  3.2352  21.269  2.8699  4.362228       4.324671 
1 1 1 -23 -5  22 o 11.177  2.6099  16.590    9.7298    2.4018    16.954    23.557    11.881    9.4535  3.9666  12.901  3.3929  -3.447907      5.219751 
1 1 1 -23 -5  23 o 61.281  2.0227  508.401   32.816    525.390   50.744    496.189   43.023    62.093  3.0511  60.469  2.6563  1.624138       4.045395 
1 1 1 -23 -5  24 o 99.561  2.4860  1363.42   65.922    1337.79   97.995    1384.61   89.095    98.564  3.7119  100.559 3.3078  -1.994461      4.971912 
1 1 1 -23 -5  25 o 43.029  2.0581  253.572   23.058    254.684   36.628    252.842   29.675    43.004  3.2029  43.054  2.5853  -0.4979706E-01 4.116118 
1 1 1 -23 -5  26 o 34.725  2.2351  172.894   19.410    144.174   31.335    190.774   24.725    32.072  3.7166  37.378  2.4838  -5.305733      4.470120 
1 1 1 -23 -5  27 o 20.002  2.7617  59.435    13.623    50.635    22.813    64.313    16.985    18.558  4.6101  21.446  3.0421  -2.887634      5.523350 
1 1 1 -23 -5  28 f 43.604  2.1518  263.046   24.331    262.930   38.961    263.119   31.153    43.437  3.3752  43.771  2.6699  -0.3342400     4.303591 
1 1 1 -23 -5  29 o 42.625  2.7272  250.476   30.973    0.0000    0.0000    250.476   30.973    ?       ?       42.625  2.7272  ?              ?        
1 1 1 -23 -5  30 o 53.866  2.1848  402.641   30.879    411.805   48.365    396.335   40.121    54.204  3.3476  53.527  2.8082  0.6777878      4.369541 
1 1 1 -23 -5  31 o 38.991  2.2116  206.358   22.369    246.262   36.757    182.888   28.189    41.796  3.3104  36.185  2.9337  5.610870       4.423277 
1 1 1 -23 -5  32 o 47.202  2.2558  312.398   27.599    320.422   44.544    307.398   35.162    47.433  3.5314  46.971  2.8077  0.4618111      4.511524 
1 1 1 -23 -5  33 o 21.657  3.0632  72.393    16.110    64.730    28.240    76.090    19.615    20.283  5.1798  23.031  3.2716  -2.747934      6.126463 
1 1 1 -23 -5  34 o 28.099  2.6007  110.006   18.424    133.522   31.426    97.690    22.743    30.124  3.9932  26.073  3.3329  4.051540       5.201366 
1 1 1 -23 -5  35 o 16.751  3.2837  42.098    14.554    48.147    25.565    39.198    17.702    17.432  5.1309  16.070  4.0995  1.362150       6.567481 
1 1 1 -23 -5  36 o 16.613  3.3615  45.457    15.995    30.963    27.608    52.779    19.623    14.580  5.3696  18.646  4.0455  -4.066172      6.722948 
1 1 1 -23 -5  37 o 14.156  3.5963  22.685    15.207    50.556    32.077    14.606    17.271    17.331  5.8368  10.982  4.2029  6.349188       7.192570 
1 1 1 -23 -5  38 f 12.782  3.1955  24.647    14.727    3.9055    26.391    34.028    17.748    10.887  4.7620  14.676  4.2624  -3.788732      6.391041 
1 1 1 -23 -4  1  o 111.553 3.6385  1689.74   108.716   1689.74   108.716   0.0000    0.0000    111.553 3.6385  ?       ?       ?              ?        
1 1 1 -23 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -4  5  o 74.365  4.1456  754.796   82.245    754.796   82.245    0.0000    0.0000    74.365  4.1456  ?       ?       ?              ?        
1 1 1 -23 -4  6  o 63.601  1.9938  545.966   33.936    539.660   48.844    551.851   47.184    63.235  2.8838  63.966  2.7539  -0.7318954     3.987553 
1 1 1 -23 -4  7  o 16.378  2.1653  37.380    9.1346    37.501    13.334    37.273    12.539    16.388  3.1521  16.368  2.9694  0.2018929E-01  4.330512 
1 1 1 -23 -4  8  o 55.590  1.9641  417.487   29.183    412.800   41.693    421.989   40.862    55.242  2.8273  55.939  2.7272  -0.6972237     3.928250 
1 1 1 -23 -4  9  o 43.486  1.8743  255.921   21.722    252.756   30.917    259.008   30.527    43.214  2.6844  43.758  2.6166  -0.5444641     3.748620 
1 1 1 -23 -4  10 o 73.598  2.0932  732.106   41.222    768.734   58.254    695.370   58.340    75.460  2.8822  71.737  3.0362  3.722527       4.186395 
1 1 1 -23 -4  11 o 83.637  2.2386  946.186   50.149    941.081   70.782    951.332   71.060    83.410  3.1682  83.864  3.1634  -0.4543533     4.477185 
1 1 1 -23 -4  12 o 68.343  2.0254  630.828   37.076    628.925   52.380    632.738   52.485    68.239  2.8658  68.446  2.8629  -0.2071381     4.050780 
1 1 1 -23 -4  13 o 63.998  1.9886  553.272   34.078    569.802   48.242    536.809   48.145    64.960  2.7726  63.036  2.8515  1.923573       3.977240 
1 1 1 -23 -4  14 o 24.527  2.0413  82.586    12.969    98.877    18.691    67.461    18.010    26.943  2.6233  22.111  3.1282  4.831997       4.082556 
1 1 1 -23 -4  15 o 94.494  2.3838  1212.07   60.320    1237.81   85.144    1186.13   85.466    95.517  3.3280  93.470  3.4137  2.046745       4.767537 
1 1 1 -23 -4  16 o 20.095  2.3022  56.134    11.967    55.490    16.910    56.780    16.938    19.973  3.2744  20.217  3.2372  -0.2441788     4.604446 
1 1 1 -23 -4  17 o 15.891  2.3152  42.264    9.5542    13.492    15.957    58.341    11.929    11.087  4.0824  20.695  2.1851  -9.607670      4.630389 
1 1 1 -23 -4  18 o 51.380  1.8448  354.397   25.075    376.974   38.796    338.198   32.862    52.712  2.7574  50.048  2.4514  2.664738       3.689559 
1 1 1 -23 -4  19 o 6.4967  1.9508  0.6404    5.3585    0.3720    10.281    0.7406    6.2789    7.2195  3.0621  5.7740  2.4178  1.445488       3.901575 
1 1 1 -23 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -4  21 o 43.466  1.9782  259.989   22.316    243.790   35.128    270.952   28.897    42.225  3.1282  44.706  2.4222  -2.480774      3.956360 
1 1 1 -23 -4  22 o 51.067  1.9537  350.504   26.289    381.232   41.181    329.369   34.153    52.892  2.9181  49.241  2.5987  3.650517       3.907483 
1 1 1 -23 -4  23 o 52.344  1.9885  369.553   27.441    396.998   42.822    350.431   35.744    53.927  2.9762  50.761  2.6380  3.166058       3.977029 
1 1 1 -23 -4  24 o 73.246  2.1992  737.017   42.641    699.610   64.461    766.122   56.859    71.463  3.3677  75.030  2.8293  -3.567482      4.398407 
1 1 1 -23 -4  25 o 25.695  2.2388  86.691    14.645    118.097   24.221    68.594    18.387    29.219  3.1444  22.172  3.1877  7.046907       4.477609 
1 1 1 -23 -4  26 o 24.265  2.3917  79.528    14.749    96.046    24.373    69.985    18.526    26.154  3.5728  22.377  3.1805  3.777092       4.783302 
1 1 1 -23 -4  27 f 36.746  2.2041  191.019   20.630    169.399   32.905    205.022   26.481    34.795  3.5819  38.697  2.5695  -3.902706      4.408170 
1 1 1 -23 -4  28 o 32.254  2.2414  138.381   18.658    178.869   30.613    114.452   23.535    35.850  3.2225  28.657  3.1163  7.192600       4.482854 
1 1 1 -23 -4  29 o 33.749  3.3255  187.902   23.349    124.622   45.033    211.166   27.305    28.329  6.1142  39.170  2.6177  -10.84118      6.651023 
1 1 1 -23 -4  30 o 33.082  2.6600  156.069   22.837    186.522   33.070    128.306   31.575    36.363  3.4361  29.801  4.0615  6.561991       5.319999 
1 1 1 -23 -4  31 o 15.958  3.1274  37.206    13.243    40.995    23.119    35.356    16.157    16.456  4.8886  15.459  3.9017  0.9970646      6.254716 
1 1 1 -23 -4  32 o 10.923  2.8165  7.3706    10.648    30.493    19.853    -1.9683   12.617    14.367  4.5783  7.4802  3.2817  6.886485       5.632938 
1 1 1 -23 -4  33 o 26.070  2.7727  99.606    17.610    99.754    30.435    99.531    21.592    25.673  4.5947  26.467  3.1047  -0.7939167     5.545310 
1 1 1 -23 -4  34 o 18.640  3.1919  51.056    14.857    60.321    26.850    46.967    17.836    19.547  5.0814  17.734  3.8642  1.812691       6.383774 
1 1 1 -23 -4  35 o 23.506  3.1057  87.798    17.593    71.613    30.138    96.164    21.669    21.112  5.3292  25.901  3.1909  -4.788879      6.211443 
1 1 1 -23 -4  36 o 10.757  3.0614  5.7661    12.828    24.782    23.647    -2.1637   15.271    13.381  4.9616  8.1320  3.5875  5.249267       6.122725 
1 1 1 -23 -4  37 o 23.761  3.6766  90.985    19.892    93.187    41.149    90.313    22.723    22.783  6.4510  24.739  3.5293  -1.956562      7.353286 
1 1 1 -23 -4  38 o 8.4647  2.7824  -11.8084  12.346    2.1903    25.980    -15.8918  14.032    10.640  4.6874  6.2892  2.9992  4.350955       5.564804 
1 1 1 -23 -3  1  o 21.015  1.8657  60.440    10.262    63.524    14.651    57.470    14.379    21.558  2.5891  20.473  2.6871  1.085293       3.731448 
1 1 1 -23 -3  2  o 69.375  1.9967  648.876   37.090    669.625   53.251    629.326   51.689    70.452  2.8219  68.298  2.8255  2.153442       3.993368 
1 1 1 -23 -3  3  f 23.268  1.8317  73.616    11.186    81.576    16.268    66.476    15.407    24.484  2.5164  22.052  2.6623  2.431675       3.663334 
1 1 1 -23 -3  4  o 102.553 2.4525  1423.13   67.353    1434.91   96.367    1411.89   94.173    102.959 3.4944  102.146 3.4420  0.8130188      4.904940 
1 1 1 -23 -3  5  o 88.098  2.2679  1048.27   53.503    1069.39   76.649    1028.19   74.718    88.961  3.2167  87.235  3.1977  1.725815       4.535734 
1 1 1 -23 -3  6  o 36.218  1.8455  177.431   17.772    182.453   25.686    172.819   24.615    36.708  2.6299  35.727  2.5899  0.9811821      3.691021 
1 1 1 -23 -3  7  o 47.778  3.5077  310.576   44.576    0.0000    0.0000    310.576   44.576    ?       ?       47.778  3.5077  ?              ?        
1 1 1 -23 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -3  9  o 114.725 2.6686  1785.08   81.987    1738.33   115.622   1832.37   116.275   113.199 3.8134  116.251 3.7343  -3.051895      5.337286 
1 1 1 -23 -3  10 o 12.964  2.3457  23.643    8.1950    21.592    11.759    25.580    11.427    12.439  3.4220  13.490  3.2093  -1.050763      4.691476 
1 1 1 -23 -3  11 o 21.080  2.0766  62.076    11.165    49.551    16.017    73.914    15.571    18.874  3.2878  23.286  2.5376  -4.412857      4.153181 
1 1 1 -23 -3  12 o 53.652  1.8988  388.800   27.234    380.605   38.549    396.966   38.481    53.048  2.7222  54.257  2.6479  -1.208225      3.797601 
1 1 1 -23 -3  13 o 32.823  2.1043  145.826   18.014    141.625   23.360    151.989   28.293    32.283  2.7270  33.363  3.2055  -1.079823      4.208593 
1 1 1 -23 -3  14 o 28.791  1.7689  110.849   13.280    121.903   21.153    103.657   17.062    29.939  2.6657  27.644  2.3259  2.295551       3.537792 
1 1 1 -23 -3  15 o 82.773  2.1117  926.109   46.646    936.406   69.148    917.510   63.189    83.161  3.1044  82.385  2.8635  0.7763672      4.223363 
1 1 1 -23 -3  16 o 25.051  1.9277  85.066    12.397    88.891    20.077    82.710    15.761    25.454  3.0025  24.648  2.4185  0.8059864      3.855424 
1 1 1 -23 -3  17 o 43.378  1.8823  259.542   21.174    233.775   33.021    277.534   27.593    41.439  2.9952  45.316  2.2806  -3.877178      3.764595 
1 1 1 -23 -3  18 o 23.875  2.1049  78.777    12.662    76.909    20.742    79.887    15.986    23.554  3.3849  24.196  2.5029  -0.6417084     4.209813 
1 1 1 -23 -3  19 o 10.337  2.5612  13.061    8.5864    10.904    14.418    14.246    10.689    10.289  3.8625  10.385  3.3646  -0.9578800E-01 5.122441 
1 1 1 -23 -3  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -3  21 o 64.916  2.0863  576.498   35.725    548.043   54.346    598.152   47.408    63.375  3.2120  66.457  2.6633  -3.081978      4.172570 
1 1 1 -23 -3  22 o 35.145  2.0258  168.733   18.462    169.043   29.402    168.532   23.722    35.095  3.1618  35.194  2.5334  -0.9878540E-01 4.051541 
1 1 1 -23 -3  23 o 32.232  2.2884  152.752   17.960    108.009   28.272    183.025   23.256    27.762  3.9104  36.703  2.3784  -8.940531      4.576883 
1 1 1 -23 -3  24 o 55.127  2.0546  414.185   29.888    416.753   46.065    412.317   39.279    55.159  3.1308  55.095  2.6617  0.6408691E-01  4.109288 
1 1 1 -23 -3  25 o 18.019  2.6745  52.028    12.388    25.496    20.101    68.278    15.731    13.791  4.6205  22.247  2.6950  -8.455703      5.349044 
1 1 1 -23 -3  26 o 65.177  2.1924  588.888   37.594    544.253   57.068    623.108   49.968    62.774  3.4069  67.580  2.7605  -4.806236      4.384885 
1 1 1 -23 -3  27 o 36.613  2.1589  184.416   20.500    189.391   32.786    181.223   26.267    36.902  3.3536  36.323  2.7196  0.5792580      4.317761 
1 1 1 -23 -3  28 o 37.589  2.1674  193.134   21.242    210.020   33.903    182.219   27.256    38.835  3.2902  36.343  2.8221  2.491894       4.334705 
1 1 1 -23 -3  29 o 26.043  2.4050  91.602    15.902    114.128   26.683    79.194    19.804    28.374  3.5914  23.712  3.1998  4.661959       4.810029 
1 1 1 -23 -3  30 o 32.668  3.7113  152.146   31.899    152.146   31.899    0.0000    0.0000    32.668  3.7113  ?       ?       ?              ?        
1 1 1 -23 -3  31 o 23.941  2.7481  84.001    16.235    81.156    27.076    85.598    20.286    23.301  4.5013  24.581  3.1539  -1.280403      5.496242 
1 1 1 -23 -3  32 o 26.602  2.9788  115.538   18.176    74.537    30.682    137.709   22.562    21.787  5.3068  31.416  2.7077  -9.628920      5.957645 
1 1 1 -23 -3  33 o 38.902  2.3155  209.109   23.224    240.523   38.565    191.234   29.091    40.947  3.5514  36.857  2.9720  4.090748       4.630940 
1 1 1 -23 -3  34 o 15.513  3.3028  36.844    14.347    35.125    25.380    37.652    17.392    15.251  5.1916  15.775  4.0841  -0.5248547     6.605525 
1 1 1 -23 -3  35 o 27.622  2.7581  103.991   19.010    147.266   33.153    82.792    23.204    31.555  4.0133  23.688  3.7845  7.866869       5.516243 
1 1 1 -23 -3  36 o 21.673  3.3878  78.305    18.415    60.087    31.896    87.412    22.553    18.941  5.7683  24.404  3.5546  -5.462885      6.775598 
1 1 1 -23 -3  37 o 31.398  3.2161  142.804   26.665    0.0000    0.0000    142.804   26.665    ?       ?       31.398  3.2161  ?              ?        
1 1 1 -23 -3  38 o 16.990  3.3197  52.526    17.285    19.742    31.014    67.299    20.819    13.030  5.4077  20.950  3.8520  -7.920708      6.639348 
1 1 1 -23 -2  1  o 34.793  1.7419  163.847   16.109    162.660   23.291    164.936   22.305    34.662  2.5261  34.924  2.3990  -0.2611580     3.483720 
1 1 1 -23 -2  2  o 80.965  2.1528  885.197   46.656    873.648   66.930    896.114   65.071    80.438  3.1065  81.492  2.9812  -1.053963      4.305557 
1 1 1 -23 -2  3  o 54.299  1.8874  398.471   27.344    379.012   39.234    416.850   38.129    52.958  2.7756  55.640  2.5585  -2.681686      3.774863 
1 1 1 -23 -2  4  o 13.884  2.0301  26.850    7.2924    28.827    10.656    25.109    10.001    14.373  2.8684  13.395  2.8737  0.9781818      4.060278 
1 1 1 -23 -2  5  o 65.905  2.0207  585.089   35.653    611.938   51.135    559.691   49.736    67.379  2.8334  64.432  2.8819  2.947708       4.041468 
1 1 1 -23 -2  6  o 47.825  1.8940  309.091   24.150    306.950   34.688    311.104   33.643    47.655  2.7289  47.994  2.6271  -0.3384132     3.787954 
1 1 1 -23 -2  7  o 99.782  2.4729  1346.89   66.079    1322.85   93.763    1370.61   93.139    98.886  3.5401  100.679 3.4539  -1.793800      4.945823 
1 1 1 -23 -2  8  o 102.567 2.5179  1423.75   69.151    1379.63   97.603    1468.22   97.986    100.957 3.6094  104.177 3.5116  -3.220779      5.035780 
1 1 1 -23 -2  9  o 68.390  3.8088  635.946   69.493    0.0000    0.0000    635.946   69.493    ?       ?       68.390  3.8088  ?              ?        
1 1 1 -23 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -2  11 o 167.074 3.4215  3816.56   153.070   3860.14   219.630   3775.40   213.448   167.971 4.8817  166.178 4.7955  1.792450       6.843048 
1 1 1 -23 -2  12 o 68.666  1.9621  639.278   35.805    606.601   53.272    666.202   48.356    67.022  2.9675  70.310  2.5677  -3.288696      3.924145 
1 1 1 -23 -2  13 f 59.966  1.8467  481.393   29.505    517.664   44.590    453.143   39.352    61.949  2.6873  57.983  2.5338  3.965988       3.693443 
1 1 1 -23 -2  14 o 56.468  1.8702  435.630   27.798    397.233   41.982    465.608   37.095    54.145  2.9054  58.791  2.3557  -4.645874      3.740360 
1 1 1 -23 -2  15 f 28.941  1.8008  111.559   13.608    126.782   21.641    101.604   17.500    30.532  2.6732  27.351  2.4136  3.181578       3.601631 
1 1 1 -23 -2  16 o 65.786  1.9632  584.138   34.340    591.290   51.929    578.580   45.778    66.109  2.9326  65.464  2.6107  0.6455841      3.926373 
1 1 1 -23 -2  17 o 49.774  1.9170  340.779   24.898    306.394   38.344    365.847   32.739    47.463  3.0320  52.085  2.3467  -4.622208      3.834032 
1 1 1 -23 -2  18 o 81.837  2.1644  905.937   47.232    931.364   70.595    885.332   63.550    82.833  3.1818  80.841  2.9349  1.992226       4.328733 
1 1 1 -23 -2  19 o 79.480  2.1323  849.460   45.191    942.435   67.876    775.437   60.565    83.344  3.0406  75.616  2.9903  7.727966       4.264648 
1 1 1 -23 -2  20 o 64.732  2.5969  577.790   40.026    564.239   75.540    583.080   47.196    63.832  4.4460  65.631  2.6848  -1.799053      5.193774 
1 1 1 -23 -2  21 o 43.739  3.0274  261.129   35.249    261.129   35.249    0.0000    0.0000    43.739  3.0274  ?       ?       ?              ?        
1 1 1 -23 -2  22 o 74.332  2.1629  751.050   42.803    758.431   64.278    745.169   57.374    74.598  3.2170  74.067  2.8920  0.5317917      4.325813 
1 1 1 -23 -2  23 o 49.280  2.0328  333.773   26.264    316.133   40.377    346.711   34.580    48.048  3.1550  50.512  2.5643  -2.464321      4.065614 
1 1 1 -23 -2  24 o 37.765  2.0695  197.555   20.240    184.751   31.760    206.311   26.263    36.612  3.2733  38.919  2.5332  -2.307068      4.139028 
1 1 1 -23 -2  25 o 42.624  2.0919  252.472   23.138    232.333   36.082    266.537   30.155    41.029  3.3116  44.220  2.5569  -3.191113      4.183784 
1 1 1 -23 -2  26 o 23.076  2.4263  73.694    14.136    79.649    23.187    70.171    17.834    23.709  3.7782  22.443  3.0453  1.265564       4.852679 
1 1 1 -23 -2  27 o 43.375  2.1184  260.664   23.981    252.218   37.387    266.569   31.258    42.642  3.2991  44.109  2.6582  -1.466949      4.236724 
1 1 1 -23 -2  28 o 11.521  2.9655  16.055    11.579    14.175    19.460    17.086    14.406    11.627  4.4587  11.415  3.9112  0.2119856      5.931043 
1 1 1 -23 -2  29 o 49.670  2.1663  341.650   28.135    346.333   44.355    338.497   36.395    49.788  3.3454  49.551  2.7530  0.2370377      4.332553 
1 1 1 -23 -2  30 o 30.303  3.8728  131.941   30.716    131.941   30.716    0.0000    0.0000    30.303  3.8728  ?       ?       ?              ?        
1 1 1 -23 -2  31 o 27.252  2.7251  112.029   17.860    93.121    29.864    122.557   22.284    24.901  4.6485  29.603  2.8454  -4.701996      5.450235 
1 1 1 -23 -2  32 o 57.073  2.2795  456.242   34.108    477.315   53.841    442.117   44.081    57.925  3.4864  56.222  2.9374  1.703835       4.558936 
1 1 1 -23 -2  33 o 30.932  2.4904  134.543   19.659    151.435   32.633    124.920   24.630    32.223  3.8577  29.642  3.1505  2.580826       4.980723 
1 1 1 -23 -2  34 o 6.5554  2.2379  -17.6631  9.7252    -15.8418  19.354    -18.2784  11.248    7.8641  3.6802  5.2467  2.5475  2.617434       4.475857 
1 1 1 -23 -2  35 o 23.239  3.1200  80.384    17.655    88.206    31.216    76.705    21.408    23.617  5.0851  22.860  3.6166  0.7564125      6.240063 
1 1 1 -23 -2  36 o 32.075  2.9126  160.866   22.411    130.824   37.133    178.080   28.108    28.796  4.9955  35.354  2.9964  -6.557585      5.825243 
1 1 1 -23 -2  37 o 12.264  4.3717  21.572    18.111    0.0000    0.0000    21.572    18.111    ?       ?       12.264  4.3717  ?              ?        
1 1 1 -23 -2  38 o 10.075  3.1573  7.0634    12.525    -100.0330 57.591    12.380    12.832    10.329  5.1514  9.8203  3.6522  0.5084925      6.314693 
1 1 1 -23 -1  1  o 82.575  2.1754  920.360   48.100    916.563   68.821    923.986   67.253    82.399  3.1182  82.750  3.0343  -0.3504181     4.350894 
1 1 1 -23 -1  2  o 29.998  1.7437  122.033   13.866    118.873   19.978    124.970   19.262    29.609  2.5437  30.386  2.3858  -0.7769527     3.487496 
1 1 1 -23 -1  3  o 82.736  2.2094  923.497   48.952    949.115   69.757    898.640   68.713    83.871  3.1052  81.602  3.1437  2.268196       4.418730 
1 1 1 -23 -1  4  o 55.517  1.9084  415.051   28.374    416.647   40.527    413.517   39.739    55.620  2.7204  55.415  2.6773  0.2044067      3.816826 
1 1 1 -23 -1  5  o 75.602  2.1272  770.629   43.073    779.144   61.394    762.375   60.446    76.012  3.0155  75.192  3.0013  0.8199997      4.254487 
1 1 1 -23 -1  6  o 119.868 2.6827  1945.55   85.962    1942.58   125.506   1948.16   117.981   119.740 3.9132  119.995 3.6708  -0.2550812     5.365445 
1 1 1 -23 -1  7  f 80.091  2.1999  875.689   46.599    777.197   68.980    958.370   63.201    75.843  3.3956  84.339  2.7977  -8.496620      4.399705 
1 1 1 -23 -1  8  f 150.185 3.2697  3093.34   130.486   2713.06   187.419   3451.09   181.781   140.974 4.9635  159.396 4.2578  -18.42258      6.539473 
1 1 1 -23 -1  9  o 77.103  2.0546  804.641   42.206    766.896   62.098    837.045   57.538    75.385  3.0754  78.822  2.7253  -3.436554      4.109203 
1 1 1 -23 -1  10 o 62.904  2.2257  523.159   34.687    567.385   63.091    503.999   41.527    64.627  3.6597  61.181  2.5341  3.445858       4.451433 
1 1 1 -23 -1  11 o 154.366 6.7089  3317.31   277.389   3317.31   277.389   0.0000    0.0000    154.366 6.7089  ?       ?       ?              ?        
1 1 1 -23 -1  12 f 136.556 2.9520  2546.40   107.576   2376.17   155.176   2703.90   149.268   132.033 4.3878  141.078 3.9502  -9.044876      5.903991 
1 1 1 -23 -1  13 o 93.690  2.2691  1188.93   56.736    1167.79   83.446    1207.11   77.371    92.871  3.3546  94.509  3.0564  -1.637932      4.538172 
1 1 1 -23 -1  14 o 49.248  1.7869  322.238   23.321    367.604   36.027    289.519   30.596    52.212  2.5762  46.283  2.4770  5.928776       3.573838 
1 1 1 -23 -1  15 o 28.393  1.8284  108.193   13.500    117.036   21.564    102.494   17.312    29.308  2.7803  27.478  2.3755  1.830399       3.656894 
1 1 1 -23 -1  16 o 62.450  1.9672  529.299   32.542    511.070   49.365    543.308   43.276    61.449  2.9992  63.451  2.5464  -2.001656      3.934406 
1 1 1 -23 -1  17 o 21.683  2.1817  60.287    11.544    101.735   19.072    36.323    14.502    27.318  2.6394  16.047  3.4747  11.27151       4.363452 
1 1 1 -23 -1  18 o 22.600  2.3527  77.124    12.602    50.098    20.028    94.838    16.215    18.782  4.0966  26.417  2.3149  -7.635401      4.705430 
1 1 1 -23 -1  19 o 7.5145  2.2037  1.4597    7.0332    4.8308    11.751    -0.4221   8.7794    8.4876  3.4008  6.5414  2.8035  1.946184       4.407374 
1 1 1 -23 -1  20 o 89.582  2.3608  1099.62   56.200    1023.57   83.003    1164.00   76.369    86.594  3.5786  92.570  3.0800  -5.976318      4.721564 
1 1 1 -23 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -1  22 o 84.227  2.3066  971.374   51.685    928.713   76.656    1006.93   69.987    82.423  3.4722  86.030  3.0372  -3.606583      4.613145 
1 1 1 -23 -1  23 o 35.902  2.0263  175.119   19.030    183.192   29.875    169.607   24.686    36.539  3.0812  35.265  2.6325  1.274147       4.052610 
1 1 1 -23 -1  24 o 21.182  2.4472  59.033    12.721    104.996   20.667    30.994    16.142    27.637  2.8319  14.727  3.9920  12.90946       4.894461 
1 1 1 -23 -1  25 f 39.655  2.0884  218.071   21.474    204.854   33.687    227.118   27.871    38.508  3.2979  40.801  2.5633  -2.293186      4.176896 
1 1 1 -23 -1  26 o 33.714  2.1629  157.145   18.914    156.223   29.819    157.765   24.465    33.524  3.3663  33.905  2.7168  -0.3807602     4.325844 
1 1 1 -23 -1  27 o 9.4626  2.6375  6.8697    9.4035    11.317    16.205    4.6117    11.546    10.602  4.0680  8.3228  3.3582  2.279688       5.275002 
1 1 1 -23 -1  28 o 13.944  3.0079  25.510    11.814    37.018    20.466    19.759    14.468    15.887  4.5666  12.002  3.9161  3.884342       6.015756 
1 1 1 -23 -1  29 o 11.167  3.0158  10.311    11.127    23.128    22.623    6.2210    12.779    13.434  4.8738  8.9004  3.5534  4.533527       6.031587 
1 1 1 -23 -1  30 o 32.773  2.6705  153.853   22.881    172.110   32.702    136.344   32.024    34.816  3.5568  30.730  3.9845  4.085526       5.341073 
1 1 1 -23 -1  31 o 19.274  2.9700  64.949    15.644    20.931    26.173    89.416    19.514    13.350  5.1573  25.197  2.9470  -11.84672      5.939922 
1 1 1 -23 -1  32 o 31.539  2.4530  134.423   19.754    180.578   33.181    109.084   24.585    35.490  3.5377  27.588  3.3989  7.902132       4.905934 
1 1 1 -23 -1  33 o 45.719  2.3604  295.596   27.859    307.090   45.415    288.661   35.276    46.111  3.7084  45.327  2.9211  0.7841988      4.720705 
1 1 1 -23 -1  34 o 37.537  2.4105  198.132   23.325    220.467   38.340    185.008   29.389    38.955  3.7197  36.118  3.0668  2.836720       4.820924 
1 1 1 -23 -1  35 o 10.720  2.9204  11.807    12.899    -10.5397  23.237    21.759    15.507    9.1803  4.2021  12.261  4.0568  -3.080333      5.840845 
1 1 1 -23 -1  36 o 29.387  2.9585  130.246   21.219    131.072   36.556    129.827   26.059    28.845  4.9073  29.929  3.3058  -1.084581      5.916933 
1 1 1 -23 -1  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 -1  38 o 30.209  3.3685  135.657   26.793    0.0000    0.0000    135.657   26.793    ?       ?       30.209  3.3685  ?              ?        
1 1 1 -23 0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 0   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 0   3  o 141.222 5.9246  2740.06   224.106   0.0000    0.0000    2740.06   224.106   ?       ?       141.222 5.9246  ?              ?        
1 1 1 -23 0   4  o 52.722  1.8022  375.615   25.157    366.163   38.024    382.973   33.550    52.076  2.7356  53.368  2.3470  -1.292366      3.604449 
1 1 1 -23 0   5  o 98.973  2.3565  1321.96   62.304    1329.40   91.637    1315.56   84.962    99.204  3.4487  98.742  3.2124  0.4616623      4.713085 
1 1 1 -23 0   6  o 62.212  1.9720  527.593   32.325    481.590   48.701    563.818   43.217    59.686  3.0566  64.737  2.4924  -5.051216      3.943939 
1 1 1 -23 0   7  o 141.320 3.0848  2723.57   116.272   2523.19   167.865   2908.37   161.206   136.192 4.6017  146.448 4.1097  -10.25603      6.169686 
1 1 1 -23 0   8  o 18.165  1.9517  48.512    8.6053    33.366    13.361    59.247    11.249    15.427  3.3310  20.902  2.0351  -5.474856      3.903486 
1 1 1 -23 0   9  o 62.496  1.8337  521.461   30.557    592.877   45.508    462.825   41.235    66.365  2.5601  58.628  2.6259  7.736633       3.667362 
1 1 1 -23 0   10 o 67.778  1.9219  620.503   34.696    603.021   51.455    635.081   46.986    66.877  2.8725  68.680  2.5542  -1.803040      3.843840 
1 1 1 -23 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 0   12 o 42.952  1.7876  253.036   20.041    226.542   30.742    272.616   26.428    40.885  2.8246  45.019  2.1917  -4.134155      3.575138 
1 1 1 -23 0   13 o 14.408  2.1948  32.290    8.1569    16.817    13.333    41.544    10.312    11.391  3.7614  17.426  2.2627  -6.034989      4.389547 
1 1 1 -23 0   14 o 42.896  1.8330  252.335   20.491    231.284   31.726    267.400   26.840    41.281  2.8875  44.510  2.2587  -3.229210      3.665980 
1 1 1 -23 0   15 o 34.613  1.9053  167.545   16.842    141.247   26.384    185.630   21.880    32.161  3.1013  37.065  2.2140  -4.903664      3.810538 
1 1 1 -23 0   16 o 63.801  2.0038  554.138   33.860    521.373   50.967    580.025   45.303    62.050  3.0666  65.552  2.5802  -3.502724      4.007665 
1 1 1 -23 0   17 o 14.342  2.4369  28.424    9.0557    32.184    14.666    26.107    11.512    15.079  3.6667  13.605  3.2109  1.473574       4.873876 
1 1 1 -23 0   18 o 75.218  2.1474  769.008   43.005    749.033   63.934    785.516   58.119    74.268  3.2139  76.168  2.8488  -1.899902      4.294739 
1 1 1 -23 0   19 o 26.265  2.0329  94.352    13.826    95.685    21.660    93.436    17.961    26.368  3.1278  26.162  2.5975  0.2060280      4.065743 
1 1 1 -23 0   20 o 12.765  2.6373  20.292    9.4892    32.687    15.994    13.558    11.788    15.164  3.9119  10.366  3.5381  4.797815       5.274552 
1 1 1 -23 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 0   22 o 23.692  2.3482  80.704    13.756    67.578    22.012    89.114    17.620    21.870  3.9008  25.514  2.6152  -3.644651      4.696362 
1 1 1 -23 0   23 o 14.358  2.6229  31.676    10.757    13.678    17.815    42.005    13.495    11.394  4.2903  17.322  3.0184  -5.927806      5.245715 
1 1 1 -23 0   24 o 23.564  2.5529  82.930    14.544    60.152    23.164    97.752    18.686    20.431  4.3654  26.696  2.6481  -6.264919      5.105819 
1 1 1 -23 0   25 f 40.376  2.1009  225.244   22.175    216.032   34.215    231.917   29.118    39.554  3.2584  41.197  2.6529  -1.642708      4.201815 
1 1 1 -23 0   26 o 54.592  2.1237  410.626   30.559    399.343   46.766    419.033   40.369    53.778  3.2621  55.407  2.7202  -1.628967      4.247434 
1 1 1 -23 0   27 o 36.266  2.1990  182.761   20.716    179.885   32.539    184.721   26.864    35.894  3.4260  36.638  2.7577  -0.7438240     4.397997 
1 1 1 -23 0   28 o 24.383  2.6439  77.860    15.603    140.839   25.994    42.385    19.509    31.799  3.0910  16.967  4.2903  14.83200       5.287787 
1 1 1 -23 0   29 o 49.023  2.7789  332.018   36.339    0.0000    0.0000    332.018   36.339    ?       ?       49.023  2.7789  ?              ?        
1 1 1 -23 0   30 o 31.519  2.3435  135.578   19.122    168.677   30.823    114.867   24.382    34.534  3.3754  28.503  3.2518  6.031422       4.686998 
1 1 1 -23 0   31 o 29.906  2.5388  128.542   19.173    127.721   31.403    129.030   24.208    29.545  4.0769  30.267  3.0267  -0.7226410     5.077566 
1 1 1 -23 0   32 o 38.643  2.3607  209.763   23.517    224.917   38.475    200.725   29.713    39.507  3.6782  37.780  2.9600  1.726635       4.721307 
1 1 1 -23 0   33 o 8.0448  2.5226  -2.3270   10.463    -20.9888  21.105    3.7534    12.047    7.9102  3.7450  8.1793  3.3805  -0.2691169     5.045106 
1 1 1 -23 0   34 o 35.500  2.6193  186.938   23.124    170.123   38.291    196.591   29.013    33.686  4.3451  37.314  2.9263  -3.628666      5.238638 
1 1 1 -23 0   35 o 23.056  3.2811  87.605    18.472    66.841    31.658    98.324    22.745    20.061  5.6506  26.050  3.3365  -5.988825      6.562160 
1 1 1 -23 0   36 o 37.030  2.5090  190.404   23.768    244.242   40.438    161.989   29.378    40.657  3.7558  33.404  3.3278  7.253483       5.017978 
1 1 1 -23 0   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 1   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 1   6  o 133.346 2.9092  2412.55   103.706   2366.18   150.554   2454.41   143.058   132.069 4.2560  134.622 3.9674  -2.552567      5.818408 
1 1 1 -23 1   7  f 14.993  1.9832  35.517    7.3594    15.718    11.468    49.379    9.5960    10.903  3.4802  19.083  1.9028  -8.179600      3.966397 
1 1 1 -23 1   8  o 51.063  1.7287  347.576   23.447    407.370   35.063    299.207   31.536    55.036  2.3786  47.090  2.5093  7.946106       3.457483 
1 1 1 -23 1   9  o 72.779  1.9475  709.631   37.858    779.435   55.918    650.558   51.441    76.066  2.7446  69.491  2.7637  6.575447       3.894941 
1 1 1 -23 1   10 o 74.096  2.0308  746.521   39.924    679.445   58.920    803.459   54.285    70.951  3.1004  77.240  2.6239  -6.288712      4.061681 
1 1 1 -23 1   11 o 101.423 2.3765  1393.98   64.350    1347.67   93.945    1434.92   88.323    99.787  3.5149  103.060 3.1996  -3.272354      4.753084 
1 1 1 -23 1   12 o 31.301  2.6637  139.661   20.911    110.104   31.940    161.834   27.664    28.111  4.3851  34.490  3.0252  -6.378223      5.327374 
1 1 1 -23 1   13 o 46.647  1.8007  292.485   22.197    305.413   34.125    283.003   29.225    47.513  2.6926  45.780  2.3916  1.732159       3.601361 
1 1 1 -23 1   14 o 49.099  1.8221  322.158   23.705    357.535   36.296    295.843   31.303    51.416  2.6445  46.782  2.5073  4.633877       3.644182 
1 1 1 -23 1   15 o 30.941  1.9444  134.510   15.316    110.553   23.718    151.645   20.060    28.402  3.1719  33.481  2.2499  -5.079416      3.888856 
1 1 1 -23 1   16 o 20.250  2.3083  62.516    11.133    38.354    17.594    78.652    14.378    16.443  4.0268  24.056  2.2578  -7.613844      4.616611 
1 1 1 -23 1   17 o 94.080  2.3592  1201.90   59.315    1209.46   86.970    1195.32   81.105    94.313  3.4428  93.846  3.2266  0.4669571      4.718441 
1 1 1 -23 1   18 o 77.862  2.2142  828.505   45.806    765.883   67.542    881.836   62.330    75.040  3.3604  80.684  2.8842  -5.643494      4.428411 
1 1 1 -23 1   19 o 44.634  1.9233  269.226   22.738    282.917   34.481    258.692   30.245    45.609  2.8366  43.660  2.5981  1.949150       3.846612 
1 1 1 -23 1   20 o 12.654  2.5436  22.241    8.8203    22.830    14.520    21.896    11.104    12.850  3.8871  12.459  3.2817  0.3906488      5.087210 
1 1 1 -23 1   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 1   22 o 11.416  2.6461  17.122    9.1075    17.394    15.087    16.966    11.424    11.682  4.0026  11.151  3.4620  0.5310230      5.292119 
1 1 1 -23 1   23 o 86.315  2.3435  1018.40   53.997    1029.65   79.888    1008.94   73.268    86.683  3.4408  85.948  3.1827  0.7349625      4.687068 
1 1 1 -23 1   24 o 46.508  2.0730  297.244   25.293    289.506   39.032    302.846   33.210    45.887  3.1956  47.129  2.6415  -1.241829      4.146013 
1 1 1 -23 1   25 o 16.198  2.7668  39.332    11.796    29.730    19.202    45.152    14.948    14.515  4.4855  17.880  3.2406  -3.365130      5.533623 
1 1 1 -23 1   26 o 53.009  2.0981  382.172   29.373    415.232   45.521    358.587   38.448    54.891  3.1089  51.128  2.8184  3.762997       4.196276 
1 1 1 -23 1   27 o 10.011  2.4261  10.069    9.7648    -15.8904  16.865    23.161    11.977    7.3123  3.4262  12.710  3.4360  -5.397342      4.852286 
1 1 1 -23 1   28 o 51.500  2.2346  373.124   29.923    344.202   46.590    393.430   39.039    49.542  3.5342  53.457  2.7357  -3.915848      4.469297 
1 1 1 -23 1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 1   30 f 44.004  2.2650  270.143   25.900    281.633   41.578    262.857   33.109    44.558  3.5122  43.450  2.8610  1.108742       4.529969 
1 1 1 -23 1   31 o 40.928  2.3316  236.745   24.639    240.151   39.748    234.619   31.400    40.904  3.6668  40.952  2.8810  -0.4787064E-01 4.663228 
1 1 1 -23 1   32 o 34.161  2.7933  183.128   22.371    130.747   36.914    213.533   28.124    29.216  4.8901  39.107  2.7015  -9.891779      5.586699 
1 1 1 -23 1   33 o 40.808  2.3772  233.581   24.996    258.299   41.316    219.310   31.392    42.220  3.6906  39.396  2.9975  2.823933       4.754473 
1 1 1 -23 1   34 o 19.878  3.1180  53.315    15.579    89.786    27.997    36.956    18.751    24.243  4.4764  15.513  4.3414  8.730183       6.235918 
1 1 1 -23 1   35 o 20.249  3.0063  79.900    18.562    1.3324    32.603    117.578   22.578    11.799  5.2218  28.699  2.9807  -16.89925      6.012606 
1 1 1 -23 1   36 o 32.428  2.9404  160.016   23.055    157.943   40.343    161.021   28.094    31.495  4.9453  33.361  3.1826  -1.866280      5.880855 
1 1 1 -23 1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   7  o 51.453  1.7924  355.700   24.541    366.167   36.742    347.269   32.976    52.091  2.6420  50.814  2.4229  1.277515       3.584720 
1 1 1 -23 2   8  o 44.976  1.6782  271.907   20.051    281.655   30.050    264.083   26.919    45.690  2.4645  44.262  2.2783  1.428089       3.356308 
1 1 1 -23 2   9  o 84.299  2.1314  962.059   47.898    912.889   70.116    1005.08   65.586    82.238  3.1832  86.360  2.8353  -4.122543      4.262831 
1 1 1 -23 2   10 o 138.832 2.9557  2621.55   109.733   2543.41   158.229   2693.96   152.312   136.770 4.3192  140.894 4.0360  -4.123764      5.911419 
1 1 1 -23 2   11 f 64.984  1.9498  574.813   33.532    525.339   50.114    614.918   45.120    62.389  2.9989  67.579  2.4927  -5.190659      3.899646 
1 1 1 -23 2   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   13 o 30.617  1.8705  129.586   14.786    115.637   22.880    139.589   19.376    29.110  2.9763  32.124  2.2664  -3.014830      3.740969 
1 1 1 -23 2   14 o 23.708  2.0808  81.216    12.115    60.588    18.900    95.605    15.785    20.861  3.5071  26.555  2.2402  -5.694147      4.161511 
1 1 1 -23 2   15 o 46.552  1.8501  291.547   22.854    310.742   34.513    276.559   30.498    47.895  2.7013  45.208  2.5288  2.686985       3.700249 
1 1 1 -23 2   16 o 39.260  1.8682  208.869   19.358    210.969   29.448    207.271   25.688    39.402  2.8087  39.118  2.4643  0.2832222      3.736492 
1 1 1 -23 2   17 o 68.757  2.0665  639.836   37.918    645.578   56.180    635.030   51.388    69.009  3.0394  68.505  2.8006  0.5035706      4.132941 
1 1 1 -23 2   18 o 88.331  2.3391  1064.80   55.094    1012.97   80.575    1110.32   75.501    86.230  3.4886  90.433  3.1170  -4.203270      4.678274 
1 1 1 -23 2   19 o 61.112  2.0584  509.214   33.380    488.195   49.693    526.496   45.060    59.865  3.1098  62.359  2.6977  -2.494541      4.116889 
1 1 1 -23 2   20 o 12.194  2.3065  15.732    8.6172    39.013    14.282    2.4048    10.806    16.639  3.3208  7.7484  3.2019  8.890949       4.613065 
1 1 1 -23 2   21 o 27.783  2.4349  106.150   17.624    92.526    23.869    122.479   26.132    25.782  3.5508  29.784  3.3328  -4.002392      4.869880 
1 1 1 -23 2   22 o 76.566  2.2600  804.116   45.986    761.413   68.326    839.478   62.176    74.595  3.4197  78.537  2.9557  -3.942383      4.520019 
1 1 1 -23 2   23 o 69.585  2.1696  659.585   40.190    672.492   60.508    649.396   53.763    70.126  3.2214  69.043  2.9072  1.082077       4.339267 
1 1 1 -23 2   24 o 27.584  2.3213  108.969   16.043    91.774    25.290    120.549   20.754    25.510  3.8187  29.659  2.6401  -4.148739      4.642511 
1 1 1 -23 2   25 o 34.627  2.1067  162.110   19.077    184.156   30.198    147.467   24.610    36.516  3.1174  32.739  2.8344  3.776386       4.213336 
1 1 1 -23 2   26 o 54.285  2.1382  405.368   30.571    409.856   47.208    402.127   40.120    54.426  3.2532  54.145  2.7757  0.2808189      4.276429 
1 1 1 -23 2   27 o 37.745  2.3125  202.373   22.278    182.147   35.482    215.535   28.622    35.921  3.7427  39.569  2.7170  -3.648026      4.624973 
1 1 1 -23 2   28 f 38.941  2.4023  220.830   23.446    181.413   37.453    246.231   30.065    35.617  3.9947  42.265  2.6695  -6.647644      4.804569 
1 1 1 -23 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 2   30 o 71.008  2.3960  712.333   44.830    705.392   69.115    717.375   58.901    70.352  3.6806  71.664  3.0686  -1.311707      4.791971 
1 1 1 -23 2   31 o 23.848  2.9176  84.648    17.035    83.243    29.007    85.388    21.047    23.290  4.8092  24.405  3.3047  -1.115162      5.835223 
1 1 1 -23 2   32 o 15.129  3.3340  32.050    14.221    45.303    25.267    25.905    17.204    16.985  5.1254  13.273  4.2654  3.712302       6.668078 
1 1 1 -23 2   33 o 14.107  3.2411  29.517    13.430    29.093    24.177    29.706    16.151    14.173  5.0511  14.041  4.0628  0.1321945      6.482295 
1 1 1 -23 2   34 o 34.968  2.6036  175.296   22.965    190.252   39.037    167.381   28.400    35.703  4.1601  34.234  3.1320  1.469280       5.207242 
1 1 1 -23 2   35 o 18.517  3.5290  57.505    17.488    46.626    31.848    62.201    20.924    16.807  5.8124  20.227  4.0039  -3.419922      7.057947 
1 1 1 -23 2   36 o 14.332  4.3577  32.300    18.214    0.0000    0.0000    32.300    18.214    ?       ?       14.332  4.3577  ?              ?        
1 1 1 -23 2   37 o 8.0413  3.6096  -3.5457   16.161    0.0000    0.0000    -3.5457   16.161    ?       ?       8.0413  3.6096  ?              ?        
1 1 1 -23 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 3   7  o 62.233  1.9415  530.564   31.765    451.744   46.844    597.660   43.220    57.806  3.0361  66.660  2.4206  -8.854687      3.882927 
1 1 1 -23 3   8  o 30.714  1.6257  128.051   13.109    124.126   20.004    131.005   17.354    30.272  2.4892  31.155  2.0918  -0.8829460     3.251385 
1 1 1 -23 3   9  o 110.624 2.4907  1655.38   73.686    1648.96   107.102   1661.16   101.537   110.389 3.6223  110.859 3.4195  -0.4695511     4.981346 
1 1 1 -23 3   10 o 64.085  1.9072  554.317   32.512    544.680   48.689    562.072   43.676    63.557  2.8601  64.612  2.5237  -1.055252      3.814321 
1 1 1 -23 3   11 f 37.172  1.7353  183.138   17.003    215.697   26.398    160.052   22.229    39.947  2.4794  34.396  2.4284  5.551750       3.470506 
1 1 1 -23 3   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 3   13 o 9.7614  2.0874  13.179    6.2570    6.0106    9.9938    17.801    8.0244    8.2589  3.1878  11.264  2.6957  -3.004897      4.174817 
1 1 1 -23 3   14 o 14.126  2.2175  30.075    8.2426    17.324    12.903    38.867    10.714    11.445  3.6955  16.807  2.4520  -5.362129      4.434998 
1 1 1 -23 3   15 o 25.548  1.9143  88.632    12.763    92.501    19.688    85.827    16.763    26.000  2.8752  25.096  2.5282  0.9038448      3.828651 
1 1 1 -23 3   16 o 91.156  2.3299  1129.01   56.762    1116.45   82.801    1140.15   77.966    90.633  3.4108  91.680  3.1750  -1.046768      4.659843 
1 1 1 -23 3   17 o 64.185  2.0596  560.669   35.172    532.538   52.051    584.306   47.712    62.647  3.1020  65.722  2.7104  -3.075684      4.119273 
1 1 1 -23 3   18 o 120.815 2.8010  2002.36   90.465    1948.29   130.930   2051.75   125.140   119.154 4.1025  122.476 3.8147  -3.322510      5.601950 
1 1 1 -23 3   19 o 73.120  2.1783  728.915   42.410    702.738   62.818    750.839   57.489    71.845  3.2644  74.396  2.8850  -2.551071      4.356535 
1 1 1 -23 3   20 o 52.713  2.6825  377.513   37.750    0.0000    0.0000    377.513   37.750    ?       ?       52.713  2.6825  ?              ?        
1 1 1 -23 3   21 o 31.962  2.0184  135.257   16.786    174.632   26.523    108.948   21.680    35.758  2.7914  28.165  2.9161  7.593088       4.036741 
1 1 1 -23 3   22 o 8.7957  2.2682  6.5788    8.1789    -12.8819  14.400    15.848    9.9376    6.8817  3.2051  10.710  3.2104  -3.828051      4.536477 
1 1 1 -23 3   23 f 35.905  2.0580  173.657   19.333    195.241   30.657    159.406   24.911    37.690  3.0633  34.121  2.7490  3.568260       4.115954 
1 1 1 -23 3   24 o 19.656  2.5502  50.853    12.606    80.203    20.864    33.981    15.819    23.945  3.3444  15.368  3.8509  8.576481       5.100438 
1 1 1 -23 3   25 o 48.595  2.1318  325.544   27.148    321.972   42.242    328.057   35.434    48.243  3.2887  48.947  2.7134  -0.7040672     4.263547 
1 1 1 -23 3   26 o 37.920  2.3080  206.561   22.110    172.772   35.062    228.868   28.488    34.994  3.8019  40.846  2.6177  -5.852230      4.615934 
1 1 1 -23 3   27 o 33.204  2.4223  158.977   20.121    139.346   32.694    170.945   25.527    31.216  4.0024  35.192  2.7295  -3.975929      4.844528 
1 1 1 -23 3   28 o 15.833  2.9262  32.075    12.444    56.834    21.718    19.972    15.184    19.607  4.2575  12.059  4.0156  7.547651       5.852417 
1 1 1 -23 3   29 o 30.119  4.0071  131.607   31.525    131.607   31.525    0.0000    0.0000    30.119  4.0071  ?       ?       ?              ?        
1 1 1 -23 3   30 o 10.785  2.7741  12.551    11.991    -12.8365  21.102    24.656    14.572    8.5922  3.9591  12.978  3.8869  -4.386022      5.548255 
1 1 1 -23 3   31 o 9.7740  2.8746  5.6870    11.585    7.3968    21.087    4.9479    13.865    10.700  4.4515  8.8477  3.6384  1.852623       5.749274 
1 1 1 -23 3   32 o 23.138  2.9627  77.137    17.052    93.256    29.076    68.688    21.053    24.719  4.5595  21.556  3.7843  3.163149       5.925350 
1 1 1 -23 3   33 o 12.520  3.0258  12.638    12.754    44.239    23.016    -1.3647   15.321    16.776  4.8486  8.2646  3.6212  8.511700       6.051670 
1 1 1 -23 3   34 o 20.791  3.3963  64.420    17.517    81.051    31.452    56.943    21.090    22.311  5.3353  19.271  4.2042  3.039577       6.792637 
1 1 1 -23 3   35 o 16.496  4.3520  42.774    19.507    0.0000    0.0000    42.774    19.507    ?       ?       16.496  4.3520  ?              ?        
1 1 1 -23 3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 4   7  o 78.817  2.0563  841.192   43.163    791.110   63.326    884.647   58.987    76.584  3.0871  81.050  2.7172  -4.465912      4.112558 
1 1 1 -23 4   8  o 47.260  1.7534  304.477   21.800    277.547   32.917    325.516   29.096    45.312  2.7249  49.208  2.2075  -3.895470      3.506859 
1 1 1 -23 4   9  o 132.994 2.8879  2406.41   102.620   2302.15   148.290   2502.21   142.157   130.148 4.2539  135.841 3.9070  -5.692719      5.775859 
1 1 1 -23 4   10 o 48.668  1.7916  318.304   23.128    332.875   35.024    307.038   30.798    49.636  2.6439  47.700  2.4185  1.935741       3.583174 
1 1 1 -23 4   11 o 77.745  2.0799  811.936   43.203    886.386   63.680    748.445   58.807    81.032  2.9340  74.458  2.9487  6.574623       4.159714 
1 1 1 -23 4   12 o 43.634  2.2208  266.366   24.784    294.487   32.169    225.295   38.877    46.668  2.5836  40.599  3.6128  6.069118       4.441560 
1 1 1 -23 4   13 o 31.330  1.8007  131.408   14.876    150.760   22.669    116.772   19.714    33.339  2.5580  29.321  2.5352  4.018551       3.601489 
1 1 1 -23 4   14 o 48.306  1.8610  313.132   23.881    351.129   35.764    282.557   32.082    50.935  2.6304  45.677  2.6334  5.258476       3.722095 
1 1 1 -23 4   15 o 77.800  2.1771  822.552   45.173    789.739   66.211    851.127   61.787    76.296  3.2400  79.305  2.9088  -3.008789      4.354121 
1 1 1 -23 4   16 o 56.466  1.9649  431.161   29.531    440.155   44.073    423.833   39.782    56.939  2.8995  55.993  2.6525  0.9452477      3.929727 
1 1 1 -23 4   17 o 106.696 2.5756  1554.38   73.461    1539.58   106.979   1567.59   101.054   106.148 3.7627  107.244 3.5180  -1.095612      5.151104 
1 1 1 -23 4   18 o 49.258  1.9956  332.146   25.893    313.997   39.178    346.221   34.502    47.985  3.0642  50.530  2.5575  -2.545433      3.991263 
1 1 1 -23 4   19 o 82.822  2.3127  939.578   50.937    883.013   75.237    987.446   69.212    80.409  3.4933  85.235  3.0316  -4.826187      4.625364 
1 1 1 -23 4   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 4   21 o 13.139  2.7174  22.717    9.9879    31.456    16.461    17.625    12.565    14.853  4.0334  11.424  3.6425  3.429145       5.434742 
1 1 1 -23 4   22 o 28.978  2.1447  113.742   16.119    126.364   25.745    105.603   20.672    30.236  3.2289  27.719  2.8238  2.516762       4.289430 
1 1 1 -23 4   23 o 15.141  2.7371  30.850    11.005    43.675    18.067    23.286    13.876    17.426  3.9607  12.857  3.7789  4.569011       5.474221 
1 1 1 -23 4   24 o 39.918  2.1286  219.516   22.159    218.807   34.792    220.000   28.744    39.755  3.2971  40.081  2.6931  -0.3257942     4.257138 
1 1 1 -23 4   25 o 32.449  2.4441  155.804   19.372    114.840   30.627    183.122   25.010    28.345  4.1575  36.553  2.5709  -8.208029      4.888177 
1 1 1 -23 4   26 o 36.560  2.2156  180.767   21.102    212.835   33.989    160.654   26.918    39.081  3.2773  34.039  2.9825  5.042454       4.431222 
1 1 1 -23 4   27 o 10.922  2.5461  1.0897    10.228    37.402    18.407    -15.1285  12.301    15.922  4.2404  5.9220  2.8197  10.00011       5.092284 
1 1 1 -23 4   28 o 16.794  5.6357  42.022    29.904    0.0000    0.0000    42.022    29.904    ?       ?       16.794  5.6357  ?              ?        
1 1 1 -23 4   29 o 44.857  2.3049  281.949   26.837    292.451   43.156    275.327   34.270    45.301  3.5860  44.414  2.8966  0.8867607      4.609755 
1 1 1 -23 4   30 o 31.677  2.4955  140.695   20.116    158.170   33.696    131.018   25.074    32.953  3.8928  30.401  3.1236  2.551502       4.991046 
1 1 1 -23 4   31 o 29.975  2.8489  138.063   20.590    113.011   33.972    152.609   25.887    27.090  4.8605  32.861  2.9733  -5.771036      5.697766 
1 1 1 -23 4   32 o 13.383  2.8356  27.670    13.706    -12.3117  25.201    44.463    16.332    9.4666  4.3489  17.299  3.6402  -7.832187      5.671294 
1 1 1 -23 4   33 o 21.175  3.3509  68.777    17.549    74.233    31.167    66.244    21.235    21.322  5.4398  21.027  3.9143  0.2944355      6.701737 
1 1 1 -23 4   34 o 19.632  4.1407  59.134    21.089    0.0000    0.0000    59.134    21.089    ?       ?       19.632  4.1407  ?              ?        
1 1 1 -23 4   35 o 9.4339  3.9301  6.0679    16.468    0.0000    0.0000    6.0679    16.468    ?       ?       9.4339  3.9301  ?              ?        
1 1 1 -23 4   36 o 34.778  3.2860  194.100   29.729    197.394   43.988    191.330   40.335    34.802  4.8507  34.754  4.4340  0.4859161E-01  6.571921 
1 1 1 -23 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 5   7  o 41.300  1.6801  232.040   18.252    215.699   27.716    244.554   24.254    39.943  2.6048  42.657  2.1228  -2.714489      3.360277 
1 1 1 -23 5   8  f 63.121  1.9122  539.376   32.042    515.208   48.015    558.779   43.022    61.812  2.9001  64.430  2.4930  -2.618141      3.824338 
1 1 1 -23 5   9  o 38.589  1.7988  204.911   18.089    180.174   27.492    223.796   24.021    36.445  2.8387  40.734  2.2099  -4.289288      3.597514 
1 1 1 -23 5   10 o 34.690  1.7471  161.650   16.028    173.561   24.339    152.528   21.299    35.804  2.5548  33.577  2.3837  2.226036       3.494103 
1 1 1 -23 5   11 o 50.758  3.7021  351.441   49.985    0.0000    0.0000    351.441   49.985    ?       ?       50.758  3.7021  ?              ?        
1 1 1 -23 5   12 o 34.814  1.8020  163.427   16.605    172.608   24.986    156.164   22.223    35.676  2.6334  33.953  2.4604  1.723145       3.603912 
1 1 1 -23 5   13 o 33.715  1.8227  151.695   16.101    191.544   24.409    121.001   21.422    37.616  2.4357  29.815  2.7122  7.800756       3.645362 
1 1 1 -23 5   14 o 65.174  1.9966  569.979   34.703    648.022   51.524    505.175   46.950    69.236  2.7783  61.112  2.8683  8.124249       3.993268 
1 1 1 -23 5   15 o 18.807  2.1806  48.413    10.473    53.833    16.433    44.706    13.591    19.668  3.2317  17.946  2.9286  1.722364       4.361227 
1 1 1 -23 5   16 o 55.945  1.9730  423.237   29.346    434.272   44.099    414.466   39.316    56.533  2.9223  55.357  2.6516  1.175213       3.945978 
1 1 1 -23 5   17 o 34.766  1.9986  167.459   18.032    149.948   27.629    180.451   23.799    33.070  3.1576  36.463  2.4510  -3.392250      3.997214 
1 1 1 -23 5   18 o 53.777  2.0469  396.849   28.998    366.469   43.726    420.700   38.744    51.805  3.1664  55.749  2.5947  -3.943455      4.093709 
1 1 1 -23 5   19 o 45.850  1.9960  285.528   24.154    292.398   37.007    280.429   31.882    46.280  3.0016  45.419  2.6320  0.8606606      3.992079 
1 1 1 -23 5   20 o 26.834  4.4346  102.230   30.760    102.230   30.760    0.0000    0.0000    26.834  4.4346  ?       ?       ?              ?        
1 1 1 -23 5   21 o 43.076  2.0202  249.331   22.904    281.129   35.888    227.477   29.752    45.329  2.9723  40.824  2.7367  4.505360       4.040307 
1 1 1 -23 5   22 o 82.451  2.3314  929.197   51.230    959.118   76.853    905.269   68.725    83.561  3.4337  81.341  3.1544  2.220680       4.662708 
1 1 1 -23 5   23 o 48.394  2.0902  317.951   26.622    342.359   41.648    301.086   34.618    49.882  3.1331  46.906  2.7677  2.975616       4.180442 
1 1 1 -23 5   24 o 5.8463  1.9562  -11.3042  7.6275    -16.0540  13.503    -9.0783   9.2435    6.2696  2.9762  5.4231  2.5396  0.8464766      3.912439 
1 1 1 -23 5   25 o 22.592  2.6415  73.166    14.848    71.522    24.434    74.128    18.695    22.184  4.2672  23.001  3.1146  -0.8177662     5.282956 
1 1 1 -23 5   26 o 32.729  2.2973  145.266   19.425    172.026   31.822    129.372   24.525    34.993  3.4396  30.465  3.0463  4.528130       4.594631 
1 1 1 -23 5   27 o 24.367  2.7566  88.733    16.408    75.415    26.943    96.583    20.686    22.482  4.6286  26.253  2.9953  -3.771212      5.513216 
1 1 1 -23 5   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 5   29 o 14.349  2.9437  32.967    13.023    10.346    23.160    43.426    15.748    11.479  4.7093  17.218  3.5331  -5.739638      5.887341 
1 1 1 -23 5   30 o 41.994  2.3797  250.641   25.797    255.981   41.703    247.331   32.832    42.055  3.7413  41.933  2.9418  0.1223183      4.759408 
1 1 1 -23 5   31 o 50.641  2.4446  371.189   31.746    353.994   51.373    381.811   40.377    49.187  3.9323  52.094  2.9053  -2.906746      4.889138 
1 1 1 -23 5   32 o 34.663  2.6846  179.247   22.979    164.629   38.490    187.344   28.645    32.964  4.4750  36.361  2.9670  -3.397217      5.369278 
1 1 1 -23 5   33 o 6.6193  3.0641  -9.0852   12.856    0.0000    0.0000    -9.0852   12.856    ?       ?       6.6193  3.0641  ?              ?        
1 1 1 -23 5   34 o 14.365  4.3707  32.175    18.319    0.0000    0.0000    32.175    18.319    ?       ?       14.365  4.3707  ?              ?        
1 1 1 -23 5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   7  o 107.872 2.4993  1573.69   72.074    1587.97   105.449   1561.16   98.739    108.300 3.6352  107.445 3.4309  0.8548737      4.998594 
1 1 1 -23 6   8  o 92.621  2.2712  1155.45   56.253    1229.56   82.437    1090.87   76.952    95.388  3.2266  89.854  3.1974  5.533562       4.542463 
1 1 1 -23 6   9  o 39.252  1.7719  207.844   18.420    212.873   27.747    203.882   24.630    39.658  2.6270  38.845  2.3786  0.8127747      3.543883 
1 1 1 -23 6   10 o 12.314  2.1439  20.192    7.0156    28.483    11.165    14.783    9.0181    14.256  3.0181  10.373  3.0458  3.882823       4.287874 
1 1 1 -23 6   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   12 o 52.625  1.8787  371.412   26.331    411.011   39.361    339.338   35.424    55.179  2.6632  50.071  2.6507  5.107853       3.757498 
1 1 1 -23 6   13 o 78.191  2.1539  825.726   45.009    860.316   66.370    796.273   61.243    79.685  3.1096  76.698  2.9812  2.987427       4.307791 
1 1 1 -23 6   14 o 71.563  2.1017  692.516   40.151    708.148   59.535    679.474   54.380    72.273  3.0754  70.852  2.8655  1.421547       4.203477 
1 1 1 -23 6   15 o 37.239  1.9135  188.823   18.742    186.826   28.616    190.324   24.803    37.022  2.9092  37.456  2.4864  -0.4347305     3.826941 
1 1 1 -23 6   16 o 43.793  1.9477  260.636   22.505    261.481   34.320    259.999   29.810    43.809  2.9418  43.776  2.5534  0.3332138E-01  3.895396 
1 1 1 -23 6   17 o 16.042  2.5150  38.287    10.438    27.295    16.540    45.563    13.457    13.970  4.1314  18.114  2.8692  -4.144210      5.030017 
1 1 1 -23 6   18 o 42.658  1.9669  244.416   22.161    274.845   34.165    222.313   29.118    44.908  2.8552  40.407  2.7060  4.500191       3.933772 
1 1 1 -23 6   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 6   20 o 27.336  2.1307  98.836    14.929    135.384   23.779    75.055    19.181    31.423  2.8564  23.248  3.1624  8.175182       4.261471 
1 1 1 -23 6   21 o 28.604  2.2643  116.058   16.341    101.255   25.901    125.845   21.061    26.882  3.6949  30.326  2.6184  -3.444798      4.528673 
1 1 1 -23 6   22 o 41.888  2.0962  238.772   22.969    252.542   36.357    229.624   29.632    42.806  3.1940  40.970  2.7156  1.836147       4.192380 
1 1 1 -23 6   23 o 30.955  2.4444  141.663   18.426    104.891   29.266    165.814   23.717    27.110  4.1635  34.801  2.5624  -7.690800      4.888842 
1 1 1 -23 6   24 o 18.762  2.7310  48.391    12.836    60.658    21.774    41.858    15.891    20.458  4.1162  17.065  3.5903  3.392805       5.461981 
1 1 1 -23 6   25 o 51.436  2.2513  369.119   30.178    358.119   47.448    376.591   39.107    50.583  3.5240  52.289  2.8024  -1.706253      4.502500 
1 1 1 -23 6   26 f 49.801  2.2134  341.024   28.890    369.117   45.838    322.511   37.211    51.348  3.3512  48.254  2.8924  3.094383       4.426773 
1 1 1 -23 6   27 o 17.164  3.7521  43.197    16.769    0.0000    0.0000    43.197    16.769    ?       ?       17.164  3.7521  ?              ?        
1 1 1 -23 6   28 o 23.640  2.7506  78.029    16.067    94.821    28.025    69.809    19.609    25.272  4.2939  22.009  3.4388  3.262547       5.501180 
1 1 1 -23 6   29 f 27.916  2.5985  108.489   18.222    130.296   31.293    97.301    22.414    29.765  4.0286  26.066  3.2832  3.698317       5.197010 
1 1 1 -23 6   30 o 21.329  3.0968  67.800    16.159    73.366    28.616    65.193    19.580    21.574  5.0426  21.084  3.5962  0.4899750      6.193610 
1 1 1 -23 6   31 o 36.323  2.4789  182.559   22.908    221.640   39.343    162.514   28.176    38.905  3.8250  33.742  3.1543  5.163151       4.957800 
1 1 1 -23 6   32 o 20.163  3.8612  60.963    20.094    0.0000    0.0000    60.963    20.094    ?       ?       20.163  3.8612  ?              ?        
1 1 1 -23 6   33 o 7.3374  3.3540  -7.4870   14.737    0.0000    0.0000    -7.4870   14.737    ?       ?       7.3374  3.3540  ?              ?        
1 1 1 -23 6   34 o 18.562  3.4910  49.811    16.497    79.193    31.019    38.223    19.481    21.653  5.3738  15.472  4.4577  6.180132       6.982039 
1 1 1 -23 6   35 o 11.927  5.0875  12.919    28.667    12.919    28.667    0.0000    0.0000    11.927  5.0875  ?       ?       ?              ?        
1 1 1 -23 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 7   6  o 93.262  3.1231  1189.72   77.570    1117.86   112.292   1255.31   107.282   90.417  4.6524  96.106  4.1676  -5.688713      6.246148 
1 1 1 -23 7   7  o 137.196 2.9535  2556.99   108.470   2662.09   156.501   2459.82   150.476   139.906 4.1763  134.486 4.1773  5.420578       5.906909 
1 1 1 -23 7   8  o 54.903  1.8863  405.600   27.644    415.473   41.042    397.403   37.400    55.501  2.7608  54.306  2.5712  1.194897       3.772695 
1 1 1 -23 7   9  o 52.005  1.8746  364.519   25.944    372.514   38.746    358.022   34.930    52.470  2.7667  51.541  2.5302  0.9292336      3.749217 
1 1 1 -23 7   10 o 74.915  2.8704  758.162   57.596    0.0000    0.0000    758.162   57.596    ?       ?       74.915  2.8704  ?              ?        
1 1 1 -23 7   11 o 83.272  2.2072  937.109   49.132    966.005   72.205    912.195   67.047    84.445  3.1923  82.100  3.0489  2.344559       4.414419 
1 1 1 -23 7   12 o 42.796  1.8401  245.457   20.871    275.614   31.636    222.214   27.773    45.101  2.6302  40.492  2.5742  4.609581       3.680263 
1 1 1 -23 7   13 o 25.772  1.9810  92.663    13.066    81.606    20.165    100.664   17.155    24.330  3.1697  27.215  2.3772  -2.885157      3.962065 
1 1 1 -23 7   14 o 30.564  2.0538  133.340   15.766    101.366   24.176    156.997   20.796    27.090  3.4072  34.038  2.2944  -6.947636      4.107701 
1 1 1 -23 7   15 o 66.504  2.0579  594.205   36.485    667.263   54.783    535.972   48.910    70.142  2.9160  62.867  2.9046  7.275089       4.115791 
1 1 1 -23 7   16 o 65.013  2.0992  574.930   36.297    565.524   54.405    582.474   48.726    64.476  3.1503  65.549  2.7753  -1.073120      4.198403 
1 1 1 -23 7   17 o 9.7621  2.3275  11.479    8.1204    -2.7099   13.649    19.253    10.103    7.8285  3.4243  11.696  3.1532  -3.867229      4.654977 
1 1 1 -23 7   18 o 24.897  2.1300  83.242    13.694    98.795    21.880    73.228    17.557    26.759  3.1108  23.035  2.9106  3.723866       4.260100 
1 1 1 -23 7   19 o 46.878  4.2324  306.650   52.570    306.650   52.570    0.0000    0.0000    46.878  4.2324  ?       ?       ?              ?        
1 1 1 -23 7   20 o 19.830  2.5108  54.165    12.477    61.269    20.721    50.124    15.628    20.760  3.8688  18.900  3.2015  1.860018       5.021663 
1 1 1 -23 7   21 o 21.938  2.4113  64.801    13.421    83.278    21.828    53.569    17.019    24.389  3.4367  19.486  3.3834  4.902630       4.822677 
1 1 1 -23 7   22 o 13.287  2.7759  25.814    11.041    13.802    17.953    33.122    14.003    11.374  4.3014  15.200  3.5103  -3.825793      5.551898 
1 1 1 -23 7   23 o 63.843  2.1910  553.910   37.102    609.074   57.489    514.533   48.572    66.460  3.2295  61.225  2.9619  5.235214       4.382042 
1 1 1 -23 7   24 o 41.012  2.2185  231.466   23.705    243.943   37.809    223.384   30.430    41.790  3.4074  40.234  2.8419  1.555733       4.437037 
1 1 1 -23 7   25 o 42.732  2.3332  261.191   25.480    229.694   40.344    282.093   32.865    40.243  3.7874  45.222  2.7260  -4.978848      4.666436 
1 1 1 -23 7   26 o 16.312  3.0585  36.448    12.951    51.296    22.989    29.544    15.676    18.440  4.6542  14.185  3.9695  4.254214       6.117036 
1 1 1 -23 7   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 7   28 o 18.496  3.0892  49.544    14.513    61.450    24.813    43.353    17.892    19.980  4.7130  17.011  3.9949  2.968592       6.178304 
1 1 1 -23 7   29 f 29.777  2.5393  123.927   19.255    147.974   32.250    110.606   24.003    31.787  3.8675  27.767  3.2915  4.020325       5.078574 
1 1 1 -23 7   30 o 15.206  3.2397  35.825    13.878    32.277    24.639    37.473    16.795    14.687  5.1105  15.725  3.9830  -1.038445      6.479337 
1 1 1 -23 7   31 o 11.278  3.9971  17.246    15.119    0.0000    0.0000    17.246    15.119    ?       ?       11.278  3.9971  ?              ?        
1 1 1 -23 7   32 o 11.321  4.1171  17.130    16.158    0.0000    0.0000    17.130    16.158    ?       ?       11.321  4.1171  ?              ?        
1 1 1 -23 7   33 o 27.181  2.9714  103.532   19.994    152.706   35.203    80.116    24.292    31.531  4.2787  22.831  4.1242  8.700031       5.942770 
1 1 1 -23 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 8   5  o 19.743  3.0268  53.817    15.496    0.0000    0.0000    53.817    15.496    ?       ?       19.743  3.0268  ?              ?        
1 1 1 -23 8   6  o 61.968  1.9162  516.241   31.757    553.998   46.324    482.762   43.621    64.101  2.6980  59.835  2.7218  4.266563       3.832437 
1 1 1 -23 8   7  o 60.161  1.9579  486.207   31.461    516.009   46.687    461.415   42.582    61.835  2.8188  58.488  2.7182  3.346821       3.915900 
1 1 1 -23 8   8  o 25.330  1.8470  86.484    12.228    93.844    18.947    81.231    16.007    26.232  2.7369  24.428  2.4809  1.803818       3.694016 
1 1 1 -23 8   9  o 23.912  1.9914  75.855    11.521    123.402   18.097    43.456    14.939    30.189  2.2544  17.636  3.2834  12.55359       3.982802 
1 1 1 -23 8   10 o 51.870  4.0839  369.396   56.281    369.396   56.281    0.0000    0.0000    51.870  4.0839  ?       ?       ?              ?        
1 1 1 -23 8   11 o 29.609  1.8701  118.912   14.500    122.079   22.401    116.628   19.024    29.915  2.8292  29.302  2.4462  0.6126804      3.740120 
1 1 1 -23 8   12 f 33.597  1.9063  154.505   16.719    148.038   25.796    159.191   21.955    32.930  2.9561  34.263  2.4076  -1.333664      3.812515 
1 1 1 -23 8   13 o 73.250  2.1879  731.978   42.598    693.878   63.295    763.521   57.592    71.429  3.3083  75.072  2.8642  -3.642426      4.375898 
1 1 1 -23 8   14 o 50.572  1.9664  346.365   26.333    356.648   40.012    338.507   34.974    51.194  2.9302  49.950  2.6233  1.243912       3.932894 
1 1 1 -23 8   15 o 71.322  2.1832  695.633   41.331    657.238   61.708    726.869   55.660    69.444  3.3176  73.200  2.8388  -3.756187      4.366394 
1 1 1 -23 8   16 o 27.155  2.0351  98.652    14.360    116.614   22.836    86.906    18.467    29.148  2.9663  25.161  2.7871  3.987024       4.070241 
1 1 1 -23 8   17 f 11.286  2.5800  16.562    8.6382    19.152    14.341    15.088    10.822    11.973  3.8984  10.600  3.3804  1.373781       5.159937 
1 1 1 -23 8   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 8   19 o 22.911  2.2919  69.641    13.329    93.432    21.770    55.375    16.859    25.955  3.1992  19.868  3.2826  6.087488       4.583758 
1 1 1 -23 8   20 o 33.561  2.1049  151.825   18.433    172.909   29.370    138.123   23.676    35.411  3.1287  31.712  2.8168  3.699385       4.209832 
1 1 1 -23 8   21 o 49.936  2.0990  337.510   27.592    372.879   43.328    313.382   35.787    52.046  3.1225  47.826  2.8059  4.220589       4.197977 
1 1 1 -23 8   22 o 59.473  2.1537  481.870   33.883    518.629   52.518    455.659   44.348    61.276  3.2110  57.669  2.8710  3.607124       4.307380 
1 1 1 -23 8   23 o 52.754  2.2054  384.847   30.460    387.322   47.821    383.157   39.513    52.734  3.4038  52.774  2.8054  -0.3990936E-01 4.410869 
1 1 1 -23 8   24 o 49.123  2.2254  332.715   28.586    350.586   45.420    320.992   36.785    50.054  3.4081  48.192  2.8626  1.861408       4.450805 
1 1 1 -23 8   25 o 25.848  2.5547  89.202    16.602    124.659   28.205    70.404    20.537    29.561  3.6390  22.134  3.5867  7.426943       5.109426 
1 1 1 -23 8   26 o 41.773  2.8334  243.005   31.515    0.0000    0.0000    243.005   31.515    ?       ?       41.773  2.8334  ?              ?        
1 1 1 -23 8   27 o 24.952  2.7589  89.823    16.879    95.783    29.254    86.848    20.667    25.234  4.4930  24.671  3.2031  0.5624638      5.517807 
1 1 1 -23 8   28 o 35.102  2.5600  181.213   22.535    165.857   36.858    190.380   28.478    33.437  4.2087  36.766  2.9157  -3.329086      5.119999 
1 1 1 -23 8   29 f 18.471  3.2289  47.856    15.025    70.346    27.333    38.118    17.986    21.142  4.9194  15.801  4.1837  5.340647       6.457852 
1 1 1 -23 8   30 o 9.9509  3.8819  10.404    14.941    0.0000    0.0000    10.404    14.941    ?       ?       9.9509  3.8819  ?              ?        
1 1 1 -23 8   31 o 14.308  4.1653  31.372    16.931    0.0000    0.0000    31.372    16.931    ?       ?       14.308  4.1653  ?              ?        
1 1 1 -23 8   32 o 21.596  3.7550  75.918    21.076    84.281    34.385    70.886    26.675    22.202  5.7399  20.991  4.8430  1.211464       7.510070 
1 1 1 -23 8   33 o 14.177  5.5355  29.965    30.401    29.965    30.401    0.0000    0.0000    14.177  5.5355  ?       ?       ?              ?        
1 1 1 -23 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 9   5  o 53.925  1.8478  395.183   26.436    363.466   38.751    422.796   36.157    51.823  2.8021  56.028  2.4094  -4.205151      3.695543 
1 1 1 -23 9   6  o 75.506  2.1247  771.485   42.852    756.953   62.629    784.279   58.760    74.808  3.1256  76.204  2.8788  -1.395416      4.249372 
1 1 1 -23 9   7  o 34.359  1.8452  159.257   16.733    167.331   25.473    153.127   22.193    35.104  2.7306  33.613  2.4826  1.490665       3.690473 
1 1 1 -23 9   8  o 74.230  2.1334  740.321   42.265    812.608   63.056    681.351   56.953    77.492  3.0380  70.968  2.9961  6.523926       4.266854 
1 1 1 -23 9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 9   10 o 40.816  1.8718  223.202   20.180    247.385   31.110    205.637   26.514    42.691  2.7350  38.942  2.5562  3.749390       3.743601 
1 1 1 -23 9   11 o 63.638  2.0419  546.522   34.606    566.407   52.173    530.902   46.242    64.636  3.0136  62.640  2.7561  1.996113       4.083885 
1 1 1 -23 9   12 o 21.481  2.0446  62.606    11.264    68.935    17.994    58.529    14.443    22.331  3.0913  20.631  2.6767  1.699459       4.089147 
1 1 1 -23 9   13 o 40.621  2.0227  230.018   21.228    197.582   32.652    253.763   27.938    37.972  3.2414  43.269  2.4203  -5.296562      4.045343 
1 1 1 -23 9   14 o 33.570  2.0352  157.147   17.579    138.613   27.327    170.230   22.959    31.739  3.2608  35.400  2.4362  -3.660711      4.070374 
1 1 1 -23 9   15 o 32.360  2.0308  143.388   17.095    142.761   26.788    143.818   22.205    32.232  3.1428  32.487  2.5728  -0.2557602     4.061646 
1 1 1 -23 9   16 o 16.384  2.4720  35.907    10.297    49.111    17.065    28.345    12.913    18.646  3.5465  14.121  3.4447  4.525001       4.944041 
1 1 1 -23 9   17 o 36.772  2.6114  184.366   25.553    0.0000    0.0000    184.366   25.553    ?       ?       36.772  2.6114  ?              ?        
1 1 1 -23 9   18 o 46.123  2.0449  287.093   24.815    314.565   38.935    268.300   32.203    47.909  3.0499  44.336  2.7249  3.573170       4.089898 
1 1 1 -23 9   19 o 36.390  2.0782  179.745   19.706    193.043   31.470    171.167   25.275    37.416  3.1699  35.364  2.6885  2.052532       4.156496 
1 1 1 -23 9   20 o 46.101  2.0961  288.203   25.380    314.079   39.999    270.764   32.837    47.744  3.1455  44.458  2.7713  3.286240       4.192162 
1 1 1 -23 9   21 o 60.674  2.1740  501.609   34.881    539.857   54.146    474.476   45.605    62.506  3.2453  58.842  2.8936  3.664368       4.347938 
1 1 1 -23 9   22 o 25.450  2.4149  90.637    15.533    93.839    25.446    88.735    19.611    25.657  3.8193  25.244  2.9565  0.4132767      4.829884 
1 1 1 -23 9   23 o 22.804  2.6816  74.818    15.012    74.243    25.517    75.122    18.565    22.480  4.3953  23.127  3.0732  -0.6468334     5.363109 
1 1 1 -23 9   24 o 13.756  3.0361  27.512    12.143    24.004    20.922    29.294    14.912    13.363  4.7056  14.148  3.8378  -0.7841682     6.072224 
1 1 1 -23 9   25 o 8.8270  2.6250  3.2931    9.6112    3.7368    18.294    3.1239    11.296    9.7434  4.1060  7.9105  3.2717  1.832941       5.250068 
1 1 1 -23 9   26 o 21.507  4.9071  71.424    27.643    71.424    27.643    0.0000    0.0000    21.507  4.9071  ?       ?       ?              ?        
1 1 1 -23 9   27 o 27.366  2.5805  102.115   17.786    137.143   30.496    84.057    21.896    30.659  3.7946  24.074  3.4980  6.584663       5.160962 
1 1 1 -23 9   28 o 14.986  3.0491  36.717    14.082    13.248    24.386    48.459    17.248    11.916  4.8541  18.055  3.6913  -6.138530      6.098185 
1 1 1 -23 9   29 o 21.054  3.6414  65.505    19.792    0.0000    0.0000    65.505    19.792    ?       ?       21.054  3.6414  ?              ?        
1 1 1 -23 9   30 o 17.730  3.9940  47.862    18.512    0.0000    0.0000    47.862    18.512    ?       ?       17.730  3.9940  ?              ?        
1 1 1 -23 9   31 o 14.963  3.7362  34.793    18.391    36.004    29.429    34.018    23.557    15.191  5.5515  14.734  5.0018  0.4563379      7.472373 
1 1 1 -23 9   32 o 14.229  5.3248  31.053    27.359    31.053    27.359    0.0000    0.0000    14.229  5.3248  ?       ?       ?              ?        
1 1 1 -23 9   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 10  3  o 126.866 4.8144  2364.65   151.592   1458.52   217.511   3220.48   211.387   100.736 8.1306  152.996 5.1583  -52.26051      9.628861 
1 1 1 -23 10  4  o 44.268  1.8081  269.945   20.929    226.184   31.034    306.448   28.344    40.823  2.8562  47.712  2.2179  -6.888222      3.616181 
1 1 1 -23 10  5  o 30.658  1.7555  125.940   14.200    144.750   21.515    111.424   18.901    32.675  2.4768  28.642  2.4885  4.033203       3.510982 
1 1 1 -23 10  6  o 34.047  1.9205  160.931   16.925    137.181   25.648    179.252   22.526    31.694  3.0593  36.401  2.3225  -4.706654      3.840977 
1 1 1 -23 10  7  o 13.056  2.2379  22.525    7.6165    31.513    12.581    17.326    9.5692    14.965  3.2331  11.146  3.0951  3.819406       4.475819 
1 1 1 -23 10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 10  9  o 55.758  2.0529  423.679   30.195    408.256   46.035    435.325   40.003    54.764  3.1517  56.752  2.6316  -1.988258      4.105891 
1 1 1 -23 10  10 o 55.022  2.0426  412.048   29.664    402.769   45.321    419.003   39.236    54.380  3.1246  55.663  2.6317  -1.282539      4.085212 
1 1 1 -23 10  11 o 30.300  1.9455  124.004   15.355    132.479   24.337    118.400   19.792    31.114  2.9557  29.487  2.5305  1.627068       3.890974 
1 1 1 -23 10  12 o 7.9337  2.1955  5.3544    6.6330    1.6271    11.576    7.1763    8.0933    7.8503  3.2847  8.0171  2.9141  -0.1668739     4.391077 
1 1 1 -23 10  13 o 20.406  2.2221  56.961    11.430    62.007    18.788    53.997    14.401    21.050  3.4520  19.763  2.7989  1.287636       4.444125 
1 1 1 -23 10  14 o 63.684  2.0909  545.984   35.413    597.205   54.137    507.675   46.819    66.237  3.0514  61.131  2.8594  5.106312       4.181767 
1 1 1 -23 10  15 o 26.154  2.2671  98.115    14.673    81.852    23.623    108.332   18.724    24.139  3.7775  28.170  2.5078  -4.031010      4.534157 
1 1 1 -23 10  16 o 19.766  2.5171  57.557    12.252    46.197    19.914    64.476    15.541    17.917  4.2193  21.616  2.7461  -3.698788      5.034257 
1 1 1 -23 10  17 o 32.065  4.3449  145.459   36.356    145.459   36.356    0.0000    0.0000    32.065  4.3449  ?       ?       ?              ?        
1 1 1 -23 10  18 o 51.529  2.1784  368.608   29.286    342.342   45.353    387.394   38.354    49.785  3.4219  53.274  2.6966  -3.489651      4.356750 
1 1 1 -23 10  19 o 46.222  2.0976  289.843   25.472    315.587   40.103    272.434   32.979    47.854  3.1463  44.591  2.7750  3.263653       4.195186 
1 1 1 -23 10  20 o 31.210  2.2587  135.242   17.948    136.073   29.478    134.752   22.625    31.133  3.6015  31.286  2.7271  -0.1530685     4.517495 
1 1 1 -23 10  21 o 16.963  2.7724  47.055    12.705    20.608    21.394    61.465    15.792    12.953  4.7334  20.973  2.8877  -8.020415      5.544704 
1 1 1 -23 10  22 o 23.866  2.9486  96.817    16.437    44.701    26.948    127.694   20.742    17.299  5.3084  30.433  2.5687  -13.13384      5.897229 
1 1 1 -23 10  23 o 34.667  2.3432  169.192   20.737    168.530   33.882    169.588   26.221    34.388  3.7388  34.946  2.8255  -0.5585251     4.686357 
1 1 1 -23 10  24 o 29.592  2.7944  137.102   19.349    94.059    31.515    163.144   24.513    24.911  4.8978  34.272  2.6920  -9.361559      5.588888 
1 1 1 -23 10  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 10  26 o 11.986  2.8265  20.209    12.135    -4.0577   21.741    31.189    14.625    9.5113  4.2338  14.460  3.7459  -4.948856      5.653073 
1 1 1 -23 10  27 o 16.906  3.9278  43.089    17.446    0.0000    0.0000    43.089    17.446    ?       ?       16.906  3.9278  ?              ?        
1 1 1 -23 10  28 o 10.508  3.9305  13.471    14.903    0.0000    0.0000    13.471    14.903    ?       ?       10.508  3.9305  ?              ?        
1 1 1 -23 10  29 o 15.746  2.8948  42.647    15.080    -1.2174   26.305    64.120    18.404    10.575  4.6847  20.916  3.4020  -10.34123      5.789618 
1 1 1 -23 10  30 o 14.910  5.4570  34.109    28.451    34.109    28.451    0.0000    0.0000    14.910  5.4570  ?       ?       ?              ?        
1 1 1 -23 10  31 f 8.5724  3.9837  -13.1648  22.048    -13.1648  22.048    0.0000    0.0000    8.5724  3.9837  ?       ?       ?              ?        
1 1 1 -23 10  32 o 34.938  3.2673  180.045   30.220    0.0000    0.0000    180.045   30.220    ?       ?       34.938  3.2673  ?              ?        
1 1 1 -23 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 11  2  o 69.604  2.0362  660.069   37.630    603.041   55.424    708.837   51.254    66.742  3.1004  72.467  2.6406  -5.724976      4.072443 
1 1 1 -23 11  3  o 67.104  1.9547  608.949   34.985    601.871   51.735    614.914   47.490    66.716  2.8951  67.493  2.6270  -0.7761383     3.909314 
1 1 1 -23 11  4  o 22.190  1.9539  68.926    11.013    60.479    17.039    74.987    14.433    20.905  3.1401  23.474  2.3260  -2.569338      3.907768 
1 1 1 -23 11  5  o 15.455  2.5475  33.375    9.4128    33.626    18.394    33.286    10.956    15.441  4.2925  15.469  2.7447  -0.2854061E-01 5.094994 
1 1 1 -23 11  6  o 14.249  1.9883  29.106    7.3743    14.488    10.248    44.802    10.619    10.401  3.2868  18.097  2.2384  -7.696264      3.976621 
1 1 1 -23 11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 11  8  o 42.549  1.8368  245.874   20.811    256.816   29.301    234.735   29.564    43.524  2.5242  41.574  2.6690  1.949909       3.673574 
1 1 1 -23 11  9  o 38.313  1.7938  199.341   18.294    191.313   25.789    207.474   25.957    37.524  2.5816  39.103  2.4913  -1.578560      3.587596 
1 1 1 -23 11  10 o 74.687  2.1289  757.745   42.577    779.120   60.303    736.497   60.123    75.751  2.9721  73.623  3.0489  2.127472       4.257793 
1 1 1 -23 11  11 o 32.486  1.7958  143.751   15.492    148.744   21.858    138.712   21.959    33.068  2.4861  31.905  2.5920  1.162762       3.591557 
1 1 1 -23 11  12 o 25.628  1.8310  89.884    12.377    84.208    17.410    95.685    17.599    24.786  2.6643  26.470  2.5124  -1.684063      3.662065 
1 1 1 -23 11  13 o 41.560  1.8099  235.033   20.037    244.212   28.314    225.825   28.359    42.390  2.5049  40.731  2.6133  1.659180       3.619873 
1 1 1 -23 11  14 f 18.828  2.0531  49.353    9.9874    44.366    14.009    54.506    14.242    17.807  3.0468  19.850  2.7528  -2.043568      4.106200 
1 1 1 -23 11  15 o 16.439  2.2495  38.303    9.5284    43.971    13.450    32.592    13.501    17.743  2.9324  15.134  3.4121  2.609376       4.499038 
1 1 1 -23 11  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 11  17 o 37.611  1.8629  193.374   18.644    187.586   26.135    199.372   26.604    37.031  2.6525  38.192  2.6165  -1.161617      3.725808 
1 1 1 -23 11  18 o 53.037  1.9370  384.942   27.421    386.147   38.562    383.710   39.000    53.129  2.7189  52.944  2.7597  0.1851311      3.874078 
1 1 1 -23 11  19 o 35.557  1.8967  173.904   17.901    183.058   25.173    164.539   25.461    36.540  2.5888  34.574  2.7727  1.966499       3.793392 
1 1 1 -23 11  20 o 12.408  2.5446  21.952    8.9468    21.887    12.877    22.013    12.440    12.400  3.6392  12.416  3.5577  -0.1559067E-01 5.089296 
1 1 1 -23 11  21 o 9.6738  2.5146  10.801    8.5553    10.983    11.881    10.605    12.330    9.6726  3.5285  9.6751  3.5836  -0.2483368E-02 5.029166 
1 1 1 -23 11  22 o 33.387  1.9874  154.832   17.535    138.188   24.468    172.407   25.142    31.476  2.9360  35.297  2.6793  -3.821032      3.974799 
1 1 1 -23 11  23 o 29.895  2.0331  124.772   16.064    118.733   22.191    131.421   23.284    29.127  2.8822  30.663  2.8683  -1.535395      4.066247 
1 1 1 -23 11  24 o 16.828  5.6049  43.658    29.581    0.0000    0.0000    43.658    29.581    ?       ?       16.828  5.6049  ?              ?        
1 1 1 -23 11  25 o 18.632  3.0293  65.947    16.643    5.6440    31.609    89.077    19.576    12.212  5.2776  25.052  2.9756  -12.83959      6.058612 
1 1 1 -23 11  26 o 32.758  3.0030  152.244   26.056    0.0000    0.0000    152.244   26.056    ?       ?       32.758  3.0030  ?              ?        
1 1 1 -23 11  27 o 8.3751  3.5693  1.8696    14.087    0.0000    0.0000    1.8696    14.087    ?       ?       8.3751  3.5693  ?              ?        
1 1 1 -23 11  28 o 13.963  3.3454  25.354    13.729    42.147    26.155    18.967    16.130    16.228  5.2637  11.698  4.1304  4.529883       6.690824 
1 1 1 -23 11  29 o 7.8760  3.7221  -18.8862  20.675    -18.8862  20.675    0.0000    0.0000    7.8760  3.7221  ?       ?       ?              ?        
1 1 1 -23 11  30 o 13.937  5.2911  28.602    27.233    28.602    27.233    0.0000    0.0000    13.937  5.2911  ?       ?       ?              ?        
1 1 1 -23 11  31 o 39.112  2.8607  239.782   27.201    217.596   46.402    251.398   33.575    36.613  4.8511  41.611  3.0334  -4.997368      5.721389 
1 1 1 -23 12  1  o 15.156  1.8235  32.167    7.0691    37.980    9.9482    26.237    10.047    16.632  2.2942  13.681  2.8350  2.951326       3.646998 
1 1 1 -23 12  2  f 40.352  1.6592  220.508   17.824    205.222   25.137    235.965   25.278    38.926  2.4230  41.778  2.2674  -2.851685      3.318432 
1 1 1 -23 12  3  o 27.264  1.6573  100.953   11.981    97.495    16.796    104.535   17.095    26.782  2.3657  27.746  2.3217  -0.9643993     3.314643 
1 1 1 -23 12  4  o 54.505  1.8087  401.678   26.382    413.070   36.924    389.797   37.709    55.307  2.4925  53.703  2.6216  1.604183       3.617356 
1 1 1 -23 12  5  o 74.375  2.0388  749.093   40.608    734.293   56.754    764.618   58.128    73.624  2.8780  75.126  2.8887  -1.501686      4.077687 
1 1 1 -23 12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 12  7  o 7.5408  1.8656  5.3048    5.1687    -1.1826   7.3032    11.815    7.3160    5.8072  2.5231  9.2743  2.7488  -3.467034      3.731267 
1 1 1 -23 12  8  o 11.764  2.0046  19.304    6.9430    32.684    9.8179    5.9191    9.8198    15.361  2.4700  8.1681  3.1580  7.192585       4.009175 
1 1 1 -23 12  9  o 47.827  1.8602  310.793   23.727    298.762   33.454    322.970   33.656    46.881  2.6753  48.772  2.5855  -1.891548      3.720495 
1 1 1 -23 12  10 o 18.964  2.0116  50.063    9.8502    55.306    13.863    44.716    13.999    20.033  2.6485  17.896  3.0286  2.137018       4.023273 
1 1 1 -23 12  11 o 15.562  2.1787  34.301    8.7470    39.289    12.282    29.167    12.460    16.786  2.8326  14.338  3.3112  2.447942       4.357493 
1 1 1 -23 12  12 o 22.189  1.9420  67.856    11.280    63.969    15.853    71.842    16.055    21.520  2.8181  22.858  2.6727  -1.338694      3.883952 
1 1 1 -23 12  13 o 63.454  1.9975  547.798   33.946    538.086   47.941    557.562   48.072    62.882  2.8464  64.026  2.8032  -1.143181      3.994949 
1 1 1 -23 12  14 o 42.812  1.8337  249.827   20.901    233.848   29.341    266.289   29.780    41.398  2.6602  44.226  2.5244  -2.828354      3.667304 
1 1 1 -23 12  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 12  16 o 43.598  1.8755  259.952   21.783    267.488   30.613    252.223   31.002    44.260  2.5937  42.936  2.7097  1.323551       3.750909 
1 1 1 -23 12  17 o 34.505  1.9030  163.374   17.446    159.874   24.428    167.018   24.925    34.125  2.6944  34.886  2.6882  -0.7602386     3.806077 
1 1 1 -23 12  18 o 54.385  1.9479  405.678   28.294    420.413   39.740    390.530   40.293    55.456  2.6754  53.314  2.8317  2.141739       3.895743 
1 1 1 -23 12  19 o 8.7583  2.3805  7.2051    7.9035    9.8146    11.401    4.7907    10.966    9.3356  3.4484  8.1810  3.2827  1.154571       4.761002 
1 1 1 -23 12  20 o 32.673  1.9788  148.075   16.948    122.036   23.520    176.195   24.442    29.577  3.0110  35.770  2.5682  -6.193089      3.957504 
1 1 1 -23 12  21 o 30.526  2.0393  129.999   16.373    113.591   22.864    147.270   23.458    28.463  3.0464  32.589  2.7121  -4.125801      4.078675 
1 1 1 -23 12  22 o 21.700  2.3542  68.638    12.892    85.372    18.087    51.360    18.379    24.691  2.7835  18.709  3.7974  5.982176       4.708325 
1 1 1 -23 12  23 o 18.879  3.5937  52.148    17.509    0.0000    0.0000    52.148    17.509    ?       ?       18.879  3.5937  ?              ?        
1 1 1 -23 12  24 o 35.455  2.9315  177.199   27.589    0.0000    0.0000    177.199   27.589    ?       ?       35.455  2.9315  ?              ?        
1 1 1 -23 12  25 o 37.311  2.9261  196.739   29.008    0.0000    0.0000    196.739   29.008    ?       ?       37.311  2.9261  ?              ?        
1 1 1 -23 12  26 o 33.733  2.3976  164.293   20.984    165.088   32.781    163.741   27.314    33.565  3.7082  33.901  3.0403  -0.3364182     4.795236 
1 1 1 -23 12  27 o 22.649  2.8612  74.958    16.167    68.088    20.085    87.597    27.243    21.437  3.6274  23.861  4.4257  -2.423517      5.722316 
1 1 1 -23 12  28 o 37.365  2.9803  199.364   29.579    199.364   29.579    0.0000    0.0000    37.365  2.9803  ?       ?       ?              ?        
1 1 1 -23 12  29 o 9.3056  2.6511  7.7505    10.118    6.1300    13.609    9.7529    15.128    8.8498  3.6180  9.7613  3.8759  -0.9114656     5.302129 
1 1 1 -23 12  30 o 43.377  2.5975  267.063   28.570    337.700   50.035    232.890   34.802    46.965  4.0161  39.788  3.2952  7.176910       5.194954 
1 1 1 -23 13  1  o 35.316  1.6912  169.591   15.827    188.254   22.424    151.064   22.342    37.291  2.2557  33.342  2.5203  3.948257       3.382330 
1 1 1 -23 13  2  o 38.431  1.6994  200.247   17.398    206.765   24.632    193.758   24.578    39.065  2.3652  37.797  2.4408  1.267605       3.398765 
1 1 1 -23 13  3  o 51.351  1.7680  356.692   24.252    336.023   33.923    378.297   34.683    49.787  2.5524  52.914  2.4471  -3.126553      3.536026 
1 1 1 -23 13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 13  5  o 31.721  1.7344  136.648   14.605    128.286   20.298    145.625   21.031    30.703  2.4896  32.739  2.4154  -2.036026      3.468805 
1 1 1 -23 13  6  o 21.049  1.8985  61.066    10.438    63.676    14.574    58.317    14.957    21.540  2.5771  20.557  2.7883  0.9831905      3.796901 
1 1 1 -23 13  7  o 41.212  1.8159  230.892   19.907    213.150   27.904    249.281   28.407    39.574  2.6477  42.850  2.4858  -3.275158      3.631740 
1 1 1 -23 13  8  o 46.219  1.8801  290.775   23.158    302.109   32.619    279.257   32.882    47.148  2.5929  45.290  2.7233  1.857903       3.760268 
1 1 1 -23 13  9  o 66.964  2.0567  609.879   36.886    600.319   52.109    619.480   52.222    66.431  2.9285  67.497  2.8885  -1.066063      4.113379 
1 1 1 -23 13  10 o 79.932  2.2076  871.531   47.264    877.258   66.932    865.836   66.751    80.197  3.1159  79.667  3.1282  0.5294876      4.415254 
1 1 1 -23 13  11 o 24.272  1.9863  81.593    12.521    68.626    17.655    94.716    17.761    22.239  3.0438  26.306  2.5529  -4.066710      3.972654 
1 1 1 -23 13  12 o 23.301  1.9996  75.220    12.123    85.183    17.191    65.363    17.099    24.913  2.6153  21.690  3.0256  3.222836       3.999229 
1 1 1 -23 13  13 o 39.074  1.8662  208.551   19.395    196.582   27.293    220.760   27.565    37.917  2.7052  40.230  2.5716  -2.313461      3.732405 
1 1 1 -23 13  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 13  15 o 40.014  1.8937  219.371   20.161    228.526   28.436    210.117   28.590    40.879  2.6107  39.149  2.7438  1.730473       3.787363 
1 1 1 -23 13  16 o 12.058  2.5069  20.191    8.8175    14.503    12.262    26.282    12.689    10.583  3.6085  13.533  3.4808  -2.950346      5.013735 
1 1 1 -23 13  17 o 62.256  2.0385  533.315   33.808    480.080   47.546    587.758   48.082    58.999  3.0188  65.513  2.7401  -6.513470      4.076933 
1 1 1 -23 13  18 f 8.6301  2.3127  6.5143    7.6865    0.4908    10.820    12.651    10.921    7.3517  3.1305  9.9086  3.4050  -2.556923      4.625369 
1 1 1 -23 13  19 o 14.235  2.4954  29.436    10.085    14.783    14.242    44.169    14.281    10.863  3.8763  17.607  3.1435  -6.743851      4.990709 
1 1 1 -23 13  20 o 29.949  2.0288  125.014   16.016    112.193   22.266    138.757   23.054    28.299  2.9824  31.599  2.7512  -3.299957      4.057571 
1 1 1 -23 13  21 o 17.944  2.4992  46.755    11.576    42.305    15.968    51.684    16.805    16.995  3.6189  18.894  3.4477  -1.899141      4.998316 
1 1 1 -23 13  22 o 19.814  3.5311  57.217    18.053    0.0000    0.0000    57.217    18.053    ?       ?       19.814  3.5311  ?              ?        
1 1 1 -23 13  23 o 13.229  4.3486  25.610    17.828    0.0000    0.0000    25.610    17.828    ?       ?       13.229  4.3486  ?              ?        
1 1 1 -23 13  24 o 12.462  2.8415  19.770    11.362    35.812    17.734    8.5990    14.799    15.304  4.1993  9.6198  3.8291  5.684190       5.682992 
1 1 1 -23 13  25 f 14.686  2.7347  34.651    12.523    51.995    16.174    8.6873    19.789    18.838  3.3270  10.534  4.3411  8.304245       5.469391 
1 1 1 -23 13  26 f 41.817  2.8968  247.930   32.246    247.930   32.246    0.0000    0.0000    41.817  2.8968  ?       ?       ?              ?        
1 1 1 -23 13  27 o 31.207  3.0580  139.888   25.233    139.888   25.233    0.0000    0.0000    31.207  3.0580  ?       ?       ?              ?        
1 1 1 -23 13  28 o 14.584  2.9004  32.622    12.250    21.450    16.914    44.947    17.765    12.124  4.2333  17.044  3.9660  -4.919385      5.800900 
1 1 1 -23 13  29 f 25.901  2.4751  100.688   16.662    106.429   23.182    94.553    23.965    26.826  3.2957  24.977  3.6936  1.848709       4.950215 
1 1 1 -23 13  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 14  1  o 14.052  2.0430  28.221    7.4664    37.985    10.584    18.548    10.535    16.586  2.4566  11.519  3.2649  5.067685       4.085915 
1 1 1 -23 14  2  o 29.783  3.9808  123.858   30.961    0.0000    0.0000    123.858   30.961    ?       ?       29.783  3.9808  ?              ?        
1 1 1 -23 14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 14  4  o 19.904  1.9084  54.639    9.9088    52.936    13.854    56.422    14.178    19.578  2.7150  20.230  2.6826  -0.6522923     3.816767 
1 1 1 -23 14  5  o 14.136  2.1602  28.183    8.1200    16.242    11.158    41.625    11.839    10.938  3.4258  17.334  2.6326  -6.396314      4.320469 
1 1 1 -23 14  6  o 21.329  1.9565  62.744    10.874    56.581    15.162    69.270    15.604    20.208  2.8831  22.450  2.6457  -2.242626      3.913002 
1 1 1 -23 14  7  o 40.103  1.8393  218.933   19.642    210.698   27.505    227.503   28.059    39.324  2.6264  40.882  2.5756  -1.557766      3.678547 
1 1 1 -23 14  8  o 57.153  1.9698  443.986   30.149    432.961   42.313    455.356   42.968    56.428  2.7996  57.878  2.7717  -1.449623      3.939529 
1 1 1 -23 14  9  o 32.942  1.8882  148.312   16.511    143.072   23.190    153.701   23.514    32.340  2.7019  33.543  2.6384  -1.203293      3.776464 
1 1 1 -23 14  10 f 15.728  2.3045  35.475    9.4093    44.511    13.261    26.314    13.353    17.865  2.8685  13.592  3.6077  4.272833       4.609075 
1 1 1 -23 14  11 o 30.410  1.9521  127.178   15.672    137.989   22.119    116.280   22.207    31.756  2.6240  29.065  2.8910  2.691387       3.904209 
1 1 1 -23 14  12 o 7.1393  2.0481  0.8697    6.6202    7.8911    9.1563    -6.8213   9.5829    8.4336  3.0944  5.8449  2.6839  2.588688       4.096128 
1 1 1 -23 14  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 14  14 o 54.358  1.9721  404.434   28.653    416.088   40.623    392.897   40.419    55.188  2.7482  53.527  2.8292  1.660988       3.944235 
1 1 1 -23 14  15 o 21.124  2.1565  62.591    11.828    65.654    16.608    59.439    16.850    21.692  2.9336  20.556  3.1617  1.136532       4.313012 
1 1 1 -23 14  16 o 38.940  1.9315  208.792   20.017    210.702   28.265    206.870   28.353    39.127  2.7138  38.754  2.7493  0.3727570      3.863094 
1 1 1 -23 14  17 o 20.131  2.2708  57.631    11.790    61.671    16.419    53.330    16.940    20.940  3.0143  19.322  3.3971  1.617746       4.541647 
1 1 1 -23 14  18 o 35.895  1.9841  178.815   18.842    159.458   26.383    198.968   26.920    33.840  2.9399  37.950  2.6652  -4.110172      3.968183 
1 1 1 -23 14  19 o 13.246  2.6904  25.662    10.147    21.366    14.692    29.579    14.030    12.289  3.9408  14.204  3.6637  -1.914495      5.380807 
1 1 1 -23 14  20 o 17.654  3.5866  45.589    16.381    0.0000    0.0000    45.589    16.381    ?       ?       17.654  3.5866  ?              ?        
1 1 1 -23 14  21 o 15.229  3.8155  34.603    15.531    0.0000    0.0000    34.603    15.531    ?       ?       15.229  3.8155  ?              ?        
1 1 1 -23 14  22 o 31.020  3.7996  140.849   30.909    140.849   30.909    0.0000    0.0000    31.020  3.7996  ?       ?       ?              ?        
1 1 1 -23 14  23 o 17.783  2.6516  47.320    12.219    47.133    16.844    47.528    17.751    17.787  3.6578  17.779  3.8399  0.7545471E-02  5.303196 
1 1 1 -23 14  24 o 22.545  3.3753  74.216    19.755    74.216    19.755    0.0000    0.0000    22.545  3.3753  ?       ?       ?              ?        
1 1 1 -23 14  25 o 28.628  3.0406  117.496   22.958    117.496   22.958    0.0000    0.0000    28.628  3.0406  ?       ?       ?              ?        
1 1 1 -23 14  26 o 26.717  2.3275  103.434   16.236    92.522    22.146    116.115   23.874    25.132  3.3752  28.303  3.2058  -3.171572      4.654969 
1 1 1 -23 14  27 o 8.6822  2.6020  3.3004    10.510    5.2625    14.338    1.0212    15.453    8.8610  3.6771  8.5033  3.6824  0.3576393      5.203953 
1 1 1 -23 14  28 o 18.129  2.8511  51.812    13.550    60.937    19.246    42.845    19.079    19.934  3.7420  16.325  4.3026  3.609024       5.702203 
1 1 1 -23 14  29 o 22.541  6.5559  102.207   41.959    0.0000    0.0000    102.207   41.959    ?       ?       22.541  6.5559  ?              ?        
1 1 1 -23 15  1  o 34.619  3.2856  165.073   30.101    165.073   30.101    0.0000    0.0000    34.619  3.2856  ?       ?       ?              ?        
1 1 1 -23 15  2  o 39.524  1.7574  212.405   18.508    210.660   25.986    214.202   26.368    39.360  2.4774  39.687  2.4932  -0.3269234     3.514794 
1 1 1 -23 15  3  o 47.150  1.8164  302.635   22.827    314.572   32.029    290.314   32.541    48.119  2.4936  46.181  2.6417  1.938103       3.632706 
1 1 1 -23 15  4  o 32.016  1.7928  139.803   15.243    134.639   21.409    145.111   21.707    31.406  2.5675  32.627  2.5030  -1.220839      3.585677 
1 1 1 -23 15  5  o 29.109  1.8550  115.846   14.303    112.095   19.954    119.810   20.512    28.619  2.6326  29.599  2.6141  -0.9804096     3.710033 
1 1 1 -23 15  6  o 43.979  1.8714  263.480   21.919    247.593   30.629    280.158   31.382    42.601  2.6982  45.357  2.5939  -2.755833      3.742776 
1 1 1 -23 15  7  o 59.704  2.0030  485.270   32.028    477.371   44.864    493.478   45.736    59.210  2.8289  60.198  2.8366  -0.9879036     4.006062 
1 1 1 -23 15  8  o 24.700  1.9742  83.983    12.806    77.547    17.806    90.880    18.432    23.691  2.8642  25.709  2.7178  -2.017773      3.948439 
1 1 1 -23 15  9  o 34.611  1.8967  164.047   17.401    150.088   24.433    178.414   24.787    33.079  2.7835  36.143  2.5773  -3.063824      3.793473 
1 1 1 -23 15  10 o 59.169  2.0336  477.993   32.224    467.443   45.464    488.645   45.680    58.503  2.9013  59.836  2.8502  -1.332344      4.067121 
1 1 1 -23 15  11 o 16.442  2.3768  38.852    10.128    49.266    14.383    28.607    14.265    18.764  2.9598  14.121  3.7198  4.643583       4.753632 
1 1 1 -23 15  12 o 28.765  2.7962  114.091   21.272    114.091   21.272    0.0000    0.0000    28.765  2.7962  ?       ?       ?              ?        
1 1 1 -23 15  13 o 26.185  2.0493  95.121    14.096    87.772    19.827    102.631   20.044    25.116  3.0070  27.253  2.7850  -2.136690      4.098606 
1 1 1 -23 15  14 o 40.363  1.9453  224.268   20.895    230.884   29.482    217.590   29.619    40.983  2.7008  39.743  2.8003  1.240654       3.890533 
1 1 1 -23 15  15 o 33.971  1.9908  159.617   17.951    159.351   25.371    159.883   25.401    33.942  2.8162  33.999  2.8145  -0.5756760E-01 3.981514 
1 1 1 -23 15  16 o 38.628  1.9731  206.562   20.216    187.810   28.353    225.955   28.833    36.786  2.9011  40.471  2.6750  -3.685024      3.946136 
1 1 1 -23 15  17 o 17.173  3.2975  37.812    13.542    59.640    28.969    31.708    15.319    19.655  5.3564  14.691  3.8474  4.963940       6.594937 
1 1 1 -23 15  18 f 8.3422  3.4187  4.1802    12.188    0.0000    0.0000    4.1802    12.188    ?       ?       8.3422  3.4187  ?              ?        
1 1 1 -23 15  19 o 26.625  3.0144  100.189   21.118    0.0000    0.0000    100.189   21.118    ?       ?       26.625  3.0144  ?              ?        
1 1 1 -23 15  20 o 10.718  2.7585  13.689    10.185    19.442    15.989    9.7607    13.212    11.878  4.1177  9.5585  3.6718  2.319538       5.517014 
1 1 1 -23 15  21 o ?       ?       227.329   230463.00 227.329   230463.00 0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -23 15  22 o 14.707  3.9033  32.815    15.632    32.815    15.632    0.0000    0.0000    14.707  3.9033  ?       ?       ?              ?        
1 1 1 -23 15  23 o 19.015  3.4923  53.522    17.131    53.522    17.131    0.0000    0.0000    19.015  3.4923  ?       ?       ?              ?        
1 1 1 -23 15  24 o 19.051  3.6415  55.529    16.473    52.899    18.469    65.761    36.428    18.711  3.8145  19.391  6.2041  -0.6795788     7.282929 
1 1 1 -23 15  25 o 8.9119  2.4824  5.3859    9.5180    15.328    13.012    -6.0564   13.959    10.564  3.7117  7.2602  3.2975  3.303504       4.964896 
1 1 1 -23 15  26 o 20.081  2.6896  61.472    13.937    62.636    19.761    60.320    19.658    20.293  3.7747  19.870  3.8325  0.4228668      5.379243 
1 1 1 -23 15  27 o 19.887  2.7624  61.519    14.174    52.452    19.853    70.947    20.243    18.169  4.1680  21.606  3.6265  -3.436954      5.524859 
1 1 1 -23 15  28 o 13.762  4.3734  31.057    18.126    0.0000    0.0000    31.057    18.126    ?       ?       13.762  4.3734  ?              ?        
1 1 1 -23 16  1  o 26.797  1.8293  98.377    12.961    94.880    18.259    101.928   18.401    26.304  2.6267  27.291  2.5467  -0.9866982     3.658566 
1 1 1 -23 16  2  o 58.199  1.8963  460.436   29.558    458.358   41.457    462.586   42.154    58.071  2.6653  58.327  2.6982  -0.2565727     3.792670 
1 1 1 -23 16  3  o 60.328  1.9319  495.044   31.213    487.339   43.742    503.037   44.553    59.851  2.7286  60.805  2.7356  -0.9538574     3.863725 
1 1 1 -23 16  4  o 33.485  1.8271  153.168   16.237    142.916   22.751    163.809   23.179    32.319  2.6515  34.650  2.5146  -2.331291      3.654288 
1 1 1 -23 16  5  o 11.143  2.2236  15.699    7.6788    4.8239    10.421    28.619    11.359    8.0775  3.2138  14.208  3.0740  -6.130864      4.447261 
1 1 1 -23 16  6  o 23.733  1.9821  77.725    12.317    70.546    17.157    85.360    17.693    22.562  2.9067  24.904  2.6954  -2.342651      3.964155 
1 1 1 -23 16  7  o 9.3116  2.3397  10.358    7.3531    8.8402    10.459    11.841    10.340    8.9583  3.3041  9.6649  3.3135  -0.7065744     4.679391 
1 1 1 -23 16  8  o 21.526  2.1151  64.470    11.860    62.394    16.499    66.690    17.062    21.161  2.9945  21.891  2.9878  -0.7305241     4.230162 
1 1 1 -23 16  9  o 48.346  1.9586  319.981   25.240    304.463   35.344    336.130   36.055    47.131  2.8126  49.562  2.7264  -2.431786      3.917174 
1 1 1 -23 16  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 16  11 o 41.750  1.9661  239.584   21.843    227.896   30.759    251.473   31.023    40.696  2.8397  42.804  2.7199  -2.108723      3.932151 
1 1 1 -23 16  12 o 25.661  2.1211  92.127    14.142    106.489   20.089    78.016    19.913    27.759  2.7375  23.564  3.2407  4.194397       4.242207 
1 1 1 -23 16  13 o 40.470  2.0032  226.265   21.557    216.576   30.562    235.858   30.411    39.573  2.9036  41.367  2.7605  -1.793911      4.006449 
1 1 1 -23 16  14 o 47.446  2.9663  328.347   31.957    308.345   62.579    335.403   37.169    45.619  5.2152  49.274  2.8281  -3.655445      5.932677 
1 1 1 -23 16  15 o 21.869  3.1989  67.799    18.184    0.0000    0.0000    67.799    18.184    ?       ?       21.869  3.1989  ?              ?        
1 1 1 -23 16  16 f 10.570  3.7890  14.022    13.624    0.0000    0.0000    14.022    13.624    ?       ?       10.570  3.7890  ?              ?        
1 1 1 -23 16  17 o 13.517  3.9165  26.893    15.000    0.0000    0.0000    26.893    15.000    ?       ?       13.517  3.9165  ?              ?        
1 1 1 -23 16  18 o 32.220  2.4039  152.102   19.602    131.244   30.722    166.424   25.457    29.960  3.9226  34.481  2.7800  -4.520977      4.807851 
1 1 1 -23 16  19 o 26.406  2.4362  98.458    16.518    88.844    21.087    113.727   26.573    24.865  3.2434  27.947  3.6361  -3.081635      4.872470 
1 1 1 -23 16  20 o 41.891  2.8648  247.606   31.951    247.606   31.951    0.0000    0.0000    41.891  2.8648  ?       ?       ?              ?        
1 1 1 -23 16  21 o 14.143  3.9488  30.411    15.531    30.411    15.531    0.0000    0.0000    14.143  3.9488  ?       ?       ?              ?        
1 1 1 -23 16  22 o 33.426  3.2511  170.139   23.886    168.622   27.481    174.829   48.309    34.347  3.0177  32.505  5.7595  1.841972       6.502236 
1 1 1 -23 16  23 o 6.5788  2.1217  -7.4124   8.4643    -13.5706  12.016    -1.3462   11.926    5.8835  2.7972  7.2741  3.1909  -1.390573      4.243352 
1 1 1 -23 16  24 f 9.3851  2.6144  9.0190    9.6712    7.9468    13.624    10.108    13.731    9.1781  3.6673  9.5920  3.7271  -0.4139528     5.228782 
1 1 1 -23 16  25 o 15.953  2.8861  39.653    12.860    25.602    17.748    55.184    18.660    12.928  4.3417  18.977  3.8036  -6.049389      5.772115 
1 1 1 -23 16  26 o 24.215  2.5035  88.440    15.705    80.032    21.853    97.422    22.586    22.897  3.6885  25.532  3.3861  -2.635271      5.007090 
1 1 1 -23 16  27 o 8.5670  3.6865  2.9727    15.292    0.0000    0.0000    2.9727    15.292    ?       ?       8.5670  3.6865  ?              ?        
1 1 1 -23 17  1  o 51.511  1.8629  361.743   25.603    335.409   36.019    388.639   36.402    49.550  2.7244  53.471  2.5416  -3.921638      3.725888 
1 1 1 -23 17  2  f 58.793  1.9218  471.020   30.196    431.167   42.325    512.331   43.092    56.225  2.8105  61.361  2.6219  -5.135952      3.843571 
1 1 1 -23 17  3  o 45.902  1.8532  287.614   22.689    283.456   31.892    291.875   32.285    45.564  2.6243  46.240  2.6175  -0.6762810     3.706493 
1 1 1 -23 17  4  o 20.888  2.0991  61.262    11.259    71.506    15.879    50.903    15.967    22.768  2.6535  19.008  3.2532  3.760706       4.198133 
1 1 1 -23 17  5  o 28.723  1.9635  114.482   14.746    130.493   20.649    97.821    21.064    30.876  2.5188  26.571  3.0129  4.304838       3.927081 
1 1 1 -23 17  6  o 28.187  1.9731  109.598   14.589    94.298    20.331    125.837   20.946    26.089  2.9621  30.285  2.6076  -4.196653      3.946286 
1 1 1 -23 17  7  o 30.879  1.9847  131.393   16.205    121.985   22.749    141.085   23.089    29.721  2.8944  32.037  2.7163  -2.316359      3.969317 
1 1 1 -23 17  8  o 18.260  2.3457  47.794    10.972    56.195    15.367    39.056    15.671    20.046  2.9501  16.474  3.6477  3.571693       4.691345 
1 1 1 -23 17  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 17  10 o 32.665  2.8545  147.525   24.724    0.0000    0.0000    147.525   24.724    ?       ?       32.665  2.8545  ?              ?        
1 1 1 -23 17  11 o 70.603  3.1130  688.987   58.870    0.0000    0.0000    688.987   58.870    ?       ?       70.603  3.1130  ?              ?        
1 1 1 -23 17  12 o 37.917  2.8653  199.183   28.885    0.0000    0.0000    199.183   28.885    ?       ?       37.917  2.8653  ?              ?        
1 1 1 -23 17  13 o 31.997  2.8968  142.561   24.558    0.0000    0.0000    142.561   24.558    ?       ?       31.997  2.8968  ?              ?        
1 1 1 -23 17  14 o 7.8286  3.3343  0.8888    12.279    0.0000    0.0000    0.8888    12.279    ?       ?       7.8286  3.3343  ?              ?        
1 1 1 -23 17  15 f 16.515  2.8966  39.459    12.596    48.797    20.004    33.323    16.215    18.054  4.2135  14.977  3.9757  3.076472       5.793121 
1 1 1 -23 17  16 o 19.180  2.5528  54.414    12.562    62.609    17.427    45.552    18.123    20.889  3.2181  17.472  3.9637  3.417076       5.105542 
1 1 1 -23 17  17 o 34.244  2.9171  165.287   26.502    165.287   26.502    0.0000    0.0000    34.244  2.9171  ?       ?       ?              ?        
1 1 1 -23 17  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 17  19 o 27.383  3.0916  107.532   22.279    107.532   22.279    0.0000    0.0000    27.383  3.0916  ?       ?       ?              ?        
1 1 1 -23 17  20 o 12.513  2.6877  21.559    10.693    8.4831    14.637    36.526    15.660    9.5190  3.8020  15.508  3.7998  -5.988759      5.375309 
1 1 1 -23 17  21 o 14.655  2.8379  33.002    11.900    43.897    16.783    21.987    16.876    17.009  3.7818  12.301  4.2324  4.707251       5.675838 
1 1 1 -23 17  22 f 10.869  2.4477  11.325    10.246    33.269    14.529    -10.3886  14.453    14.793  3.6815  6.9452  3.2268  7.847854       4.895465 
1 1 1 -23 17  23 o 17.637  2.8600  48.245    13.226    45.247    18.422    51.436    19.002    17.034  4.0893  18.240  3.9995  -1.205860      5.720006 
1 1 1 -23 17  24 o 23.915  2.5683  86.523    15.615    67.130    21.739    107.194   22.444    20.773  4.0526  27.057  3.1563  -6.283556      5.136689 
1 1 1 -23 17  25 o 14.256  2.8090  30.847    12.269    13.273    16.808    50.889    17.950    10.468  4.1079  18.044  3.8322  -7.575893      5.617902 
1 1 1 -23 18  1  o 85.380  3.1927  1002.07   73.013    0.0000    0.0000    1002.07   73.013    ?       ?       85.380  3.1927  ?              ?        
1 1 1 -23 18  2  o 41.250  2.5999  232.785   28.579    0.0000    0.0000    232.785   28.579    ?       ?       41.250  2.5999  ?              ?        
1 1 1 -23 18  3  o 22.281  2.9175  69.069    16.994    0.0000    0.0000    69.069    16.994    ?       ?       22.281  2.9175  ?              ?        
1 1 1 -23 18  4  o 22.994  2.9345  73.556    17.661    0.0000    0.0000    73.556    17.661    ?       ?       22.994  2.9345  ?              ?        
1 1 1 -23 18  5  o 39.180  2.7361  210.883   28.533    0.0000    0.0000    210.883   28.533    ?       ?       39.180  2.7361  ?              ?        
1 1 1 -23 18  6  o 22.013  3.0744  67.860    17.633    0.0000    0.0000    67.860    17.633    ?       ?       22.013  3.0744  ?              ?        
1 1 1 -23 18  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 18  8  o 31.648  2.8965  138.804   24.280    0.0000    0.0000    138.804   24.280    ?       ?       31.648  2.8965  ?              ?        
1 1 1 -23 18  9  o 6.3385  2.8438  -4.2190   10.018    0.0000    0.0000    -4.2190   10.018    ?       ?       6.3385  2.8438  ?              ?        
1 1 1 -23 18  10 o 29.413  2.9456  120.580   22.894    0.0000    0.0000    120.580   22.894    ?       ?       29.413  2.9456  ?              ?        
1 1 1 -23 18  11 o 9.0671  2.2287  2.1218    9.0174    -22.9665  13.493    22.370    12.122    5.6889  2.7686  12.445  3.4934  -6.756439      4.457496 
1 1 1 -23 18  12 o 9.5414  2.5265  9.3501    8.9766    3.6613    12.626    15.165    12.765    8.3779  3.4615  10.705  3.6811  -2.326931      5.052953 
1 1 1 -23 18  13 o 22.019  2.3962  69.695    13.505    56.208    18.726    84.310    19.494    19.619  3.6992  24.420  3.0466  -4.800848      4.792323 
1 1 1 -23 18  14 o 33.966  2.9464  162.105   26.540    162.105   26.540    0.0000    0.0000    33.966  2.9464  ?       ?       ?              ?        
1 1 1 -23 18  15 o 16.721  3.7403  41.587    16.333    41.587    16.333    0.0000    0.0000    16.721  3.7403  ?       ?       ?              ?        
1 1 1 -23 18  16 o 26.627  3.1936  101.704   22.323    101.704   22.323    0.0000    0.0000    26.627  3.1936  ?       ?       ?              ?        
1 1 1 -23 18  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 18  18 o 27.085  2.3147  106.310   16.448    105.410   22.981    107.256   23.551    26.984  3.2446  27.186  3.3020  -0.2022305     4.629344 
1 1 1 -23 18  19 o 32.596  2.1927  152.751   18.877    163.836   26.932    142.045   26.467    33.834  3.0030  31.357  3.1959  2.477665       4.385405 
1 1 1 -23 18  20 o 24.114  2.4623  85.882    15.427    88.360    21.602    83.303    22.038    24.540  3.3760  23.689  3.5854  0.8502445      4.924660 
1 1 1 -23 18  21 o 12.429  2.9394  23.019    11.497    22.486    15.952    23.595    16.586    12.301  4.1163  12.557  4.1972  -0.2563562     5.878791 
1 1 1 -23 18  22 o 17.895  2.8835  50.082    13.540    55.365    19.168    44.822    19.128    18.960  3.9043  16.829  4.2443  2.131933       5.766938 
1 1 1 -23 18  23 o 20.811  2.7489  67.077    14.740    61.528    20.914    72.554    20.777    19.798  4.0796  21.825  3.6855  -2.026915      5.497866 
1 1 1 -23 18  24 o 14.478  3.0681  34.321    12.839    33.376    18.217    35.254    18.096    14.279  4.3617  14.676  4.3160  -0.3974428     6.136200 
1 1 1 -23 19  1  o 17.413  2.4011  43.695    10.764    53.481    15.232    33.934    15.212    19.515  3.0110  15.312  3.7410  4.203231       4.802186 
1 1 1 -23 19  2  o 23.936  2.1724  80.389    13.474    91.956    19.121    68.979    18.990    25.756  2.8177  22.116  3.3074  3.640219       4.344887 
1 1 1 -23 19  3  o 9.5324  2.3078  8.6390    8.1288    20.751    11.589    -3.0897   11.405    12.067  3.4259  6.9978  3.0930  5.069071       4.615619 
1 1 1 -23 19  4  o 9.2243  2.1459  6.8027    7.8850    21.863    10.689    -11.1752  11.679    12.350  3.2040  6.0991  2.8556  6.250553       4.291887 
1 1 1 -23 19  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 19  6  o 36.056  2.2786  177.102   21.141    163.988   26.490    200.108   35.085    34.388  2.9031  37.723  3.5127  -3.335411      4.557147 
1 1 1 -23 19  7  o 17.952  2.5034  46.844    11.590    32.700    16.123    61.966    16.671    14.941  3.9636  20.963  3.0592  -6.022443      5.006867 
1 1 1 -23 19  8  o 56.071  2.1123  436.342   31.605    426.404   44.387    446.564   45.013    55.412  3.0018  56.730  2.9727  -1.317539      4.224663 
1 1 1 -23 19  9  o 31.785  2.4262  139.708   19.579    130.980   24.311    155.818   33.030    30.590  3.0060  32.979  3.8093  -2.388912      4.852453 
1 1 1 -23 19  10 o 19.755  3.4127  56.199    17.405    56.199    17.405    0.0000    0.0000    19.755  3.4127  ?       ?       ?              ?        
1 1 1 -23 19  11 o 39.169  2.8799  214.309   30.002    214.309   30.002    0.0000    0.0000    39.169  2.8799  ?       ?       ?              ?        
1 1 1 -23 19  12 f 11.827  3.9063  19.688    14.380    19.688    14.380    0.0000    0.0000    11.827  3.9063  ?       ?       ?              ?        
1 1 1 -23 19  13 o 8.4706  3.4060  5.6418    11.833    5.6418    11.833    0.0000    0.0000    8.4706  3.4060  ?       ?       ?              ?        
1 1 1 -23 19  14 o 13.365  3.1967  13.276    12.366    3.0181    13.857    53.396    27.405    8.5081  3.5788  18.222  5.2978  -9.714406      6.393339 
1 1 1 -23 19  15 o 18.450  2.7343  51.304    13.079    52.957    18.384    49.610    18.611    18.799  3.7819  18.100  3.9499  0.6993904      5.468517 
1 1 1 -23 19  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 19  17 o 11.726  2.8829  19.508    11.148    22.161    15.517    16.678    16.027    12.258  4.0582  11.194  4.0959  1.064076       5.765898 
1 1 1 -23 19  18 o 14.748  2.8722  33.292    12.265    20.648    17.122    46.617    17.578    12.028  4.2546  17.468  3.8597  -5.440467      5.744412 
1 1 1 -23 19  19 o 31.040  2.2798  140.004   18.676    138.371   26.227    141.684   26.602    30.858  3.2206  31.222  3.2275  -0.3646984     4.559547 
1 1 1 -23 19  20 o 17.546  2.8313  48.689    13.632    70.962    19.351    26.746    19.206    21.864  3.4161  13.228  4.5162  8.636078       5.662635 
1 1 1 -23 19  21 o 10.298  2.7739  10.811    11.343    22.400    16.218    -0.2860   15.870    12.200  4.1500  8.3948  3.6818  3.805593       5.547808 
1 1 1 -23 19  22 o 16.623  3.0035  44.695    13.576    53.054    19.249    36.422    19.149    18.319  4.0323  14.928  4.4524  3.391356       6.006994 
1 1 1 -23 19  23 o 10.417  2.8217  14.065    11.138    9.9123    15.831    18.136    15.673    9.7006  3.9258  11.133  4.0540  -1.432615      5.643308 
1 1 1 -23 20  1  o 17.923  3.4965  46.185    16.182    46.185    16.182    0.0000    0.0000    17.923  3.4965  ?       ?       ?              ?        
1 1 1 -23 20  2  o 40.055  2.7359  221.430   29.177    221.430   29.177    0.0000    0.0000    40.055  2.7359  ?       ?       ?              ?        
1 1 1 -23 20  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 20  4  o 47.736  2.8030  315.089   35.681    315.089   35.681    0.0000    0.0000    47.736  2.8030  ?       ?       ?              ?        
1 1 1 -23 20  5  o 56.798  2.8873  447.051   43.780    447.051   43.780    0.0000    0.0000    56.798  2.8873  ?       ?       ?              ?        
1 1 1 -23 20  6  o 23.632  3.1796  79.066    19.616    79.066    19.616    0.0000    0.0000    23.632  3.1796  ?       ?       ?              ?        
1 1 1 -23 20  7  o 30.668  2.9482  131.688   23.919    131.688   23.919    0.0000    0.0000    30.668  2.9482  ?       ?       ?              ?        
1 1 1 -23 20  8  o 38.589  2.9065  208.058   29.821    208.058   29.821    0.0000    0.0000    38.589  2.9065  ?       ?       ?              ?        
1 1 1 -23 20  9  o 16.094  3.9012  38.565    16.642    38.565    16.642    0.0000    0.0000    16.094  3.9012  ?       ?       ?              ?        
1 1 1 -23 20  10 o 18.094  3.2995  43.540    14.725    34.266    17.115    69.958    28.887    15.091  4.1190  21.097  5.1558  -6.005527      6.599097 
1 1 1 -23 20  11 o 27.006  2.2932  104.565   16.175    93.628    22.689    115.868   23.065    25.461  3.4130  28.552  3.0638  -3.091404      4.586414 
1 1 1 -23 20  12 o 18.900  2.6627  53.364    12.999    46.807    18.324    60.008    18.444    17.595  3.9811  20.204  3.5370  -2.608673      5.325367 
1 1 1 -23 20  13 o 33.950  2.1883  164.980   19.642    172.395   27.486    157.243   28.079    34.815  2.9761  33.085  3.2089  1.729919       4.376569 
1 1 1 -23 20  14 o 14.402  4.1406  31.909    16.824    0.0000    0.0000    31.909    16.824    ?       ?       14.402  4.1406  ?              ?        
1 1 1 -23 20  15 o 9.9990  3.8723  11.211    14.784    11.211    14.784    0.0000    0.0000    9.9990  3.8723  ?       ?       ?              ?        
1 1 1 -23 20  16 o 35.835  2.2298  185.472   21.149    173.206   29.653    198.173   30.173    34.549  3.2423  37.122  3.0619  -2.572895      4.459567 
1 1 1 -23 20  17 o 24.397  2.5161  88.436    15.928    81.917    22.209    95.340    22.855    23.388  3.6658  25.407  3.4475  -2.019733      5.032218 
1 1 1 -23 20  18 o 12.509  2.6184  19.206    11.821    -5.5883   16.668    44.296    16.767    8.0134  3.6251  17.004  3.7794  -8.990426      5.236878 
1 1 1 -23 20  19 o 9.8456  2.6399  6.4283    11.048    -10.4027  15.501    23.808    15.751    7.1969  3.3431  12.494  4.0865  -5.297313      5.279740 
1 1 1 -23 20  20 o 11.566  2.8618  18.091    11.790    5.8850    16.764    30.039    16.585    9.3725  3.9391  13.760  4.1526  -4.387455      5.723691 
1 1 1 -23 20  21 o 31.554  2.4086  149.552   20.019    143.973   28.267    155.166   28.355    30.889  3.4770  32.218  3.3340  -1.328894      4.817190 
1 1 1 -23 20  22 o 22.493  2.8000  80.519    16.193    69.785    22.430    92.204    23.403    20.688  4.1915  24.299  3.7136  -3.611471      5.599955 
1 1 1 -23 21  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 21  2  o 36.025  2.0251  180.952   19.264    158.268   26.962    204.606   27.533    33.623  3.0262  38.427  2.6920  -4.803986      4.050287 
1 1 1 -23 21  3  o 16.137  2.6440  38.286    11.199    38.226    15.547    38.352    16.146    16.141  3.6781  16.133  3.7992  0.7966995E-02  5.287969 
1 1 1 -23 21  4  o 47.644  2.0365  316.244   25.864    318.483   36.362    313.952   36.795    47.833  2.8510  47.454  2.9089  0.3791161      4.073073 
1 1 1 -23 21  5  o 18.581  2.6044  50.544    12.501    48.735    17.444    52.454    17.924    18.224  3.7000  18.937  3.6662  -0.7127743     5.208755 
1 1 1 -23 21  6  o 31.150  2.1683  137.110   17.784    123.755   24.981    150.834   25.324    29.522  3.2109  32.778  2.9148  -3.256008      4.336615 
1 1 1 -23 21  7  o 27.742  2.2186  109.311   16.186    104.475   22.590    114.412   23.203    27.088  3.1737  28.397  3.1010  -1.309389      4.437188 
1 1 1 -23 21  8  f 22.471  2.5088  73.568    14.312    55.153    19.662    94.322    20.874    19.212  3.9527  25.729  3.0907  -6.517229      5.017642 
1 1 1 -23 21  9  o 18.512  2.6479  50.943    12.676    47.836    17.668    54.239    18.196    17.889  3.8043  19.134  3.6840  -1.245174      5.295720 
1 1 1 -23 21  10 o 34.954  2.1748  174.226   20.140    177.430   28.173    170.876   28.801    35.332  3.0056  34.576  3.1442  0.7554817      4.349677 
1 1 1 -23 21  11 o 20.577  2.6938  65.313    14.064    86.075    19.660    43.554    20.127    24.460  3.0683  16.694  4.4285  7.766157       5.387570 
1 1 1 -23 21  12 o 17.502  2.7685  47.886    12.894    62.809    17.916    31.853    18.571    20.671  3.3505  14.332  4.4083  6.339186       5.537056 
1 1 1 -23 21  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 21  14 f 15.552  2.8846  37.857    12.638    50.529    17.801    24.980    17.945    18.222  3.7716  12.881  4.3655  5.340466       5.769107 
1 1 1 -23 21  15 o 27.890  2.4274  115.000   17.659    125.470   24.916    104.432   25.032    29.328  3.2251  26.452  3.6287  2.875956       4.854779 
1 1 1 -23 21  16 o 27.156  2.4926  109.929   17.538    123.822   24.785    95.997    24.820    29.105  3.2341  25.207  3.7938  3.898169       4.985174 
1 1 1 -23 21  17 o 8.0344  2.4277  -4.5103   10.187    -18.6994  13.936    11.776    14.930    6.0314  2.9055  10.037  3.8902  -4.006033      4.855445 
1 1 1 -23 21  18 o 17.680  3.0441  50.014    14.317    43.802    19.775    56.859    20.756    16.439  4.4029  18.920  4.2048  -2.481318      6.088179 
1 1 1 -23 21  19 o 14.481  3.1144  34.170    13.166    31.282    18.204    37.338    19.065    13.888  4.3796  15.075  4.4291  -1.187261      6.228774 
1 1 1 -23 21  20 o 10.236  2.8242  11.969    11.594    20.420    16.513    3.7532    16.282    11.605  4.1703  8.8675  3.8096  2.737111       5.648418 
1 1 1 -23 22  1  o 33.651  2.0263  158.673   18.085    155.004   25.570    162.346   25.583    33.241  2.9010  34.061  2.8298  -0.8199997     4.052593 
1 1 1 -23 22  2  o 40.315  2.0168  227.386   21.626    217.934   30.350    237.136   30.823    39.436  2.8935  41.195  2.8103  -1.759243      4.033617 
1 1 1 -23 22  3  o 46.052  2.0493  297.572   25.046    266.574   35.167    329.478   35.679    43.507  3.0369  48.596  2.7524  -5.089520      4.098568 
1 1 1 -23 22  4  o 20.906  2.6134  64.440    13.834    42.800    18.939    89.196    20.257    16.790  4.2170  25.021  3.0881  -8.230642      5.226787 
1 1 1 -23 22  5  f 26.715  2.2706  102.150   15.905    96.634    22.227    107.939   22.771    25.935  3.2724  27.495  3.1488  -1.559273      4.541300 
1 1 1 -23 22  6  o 40.003  2.1197  226.766   22.395    196.844   31.300    258.148   32.055    37.153  3.1758  42.854  2.8082  -5.700893      4.239331 
1 1 1 -23 22  7  o 12.270  2.7342  21.499    10.536    12.273    14.913    30.691    14.886    10.282  3.9125  14.259  3.8205  -3.977168      5.468483 
1 1 1 -23 22  8  o 12.740  2.8835  24.086    11.102    23.003    15.108    25.357    16.368    12.465  3.9962  13.014  4.1581  -0.5490065     5.767094 
1 1 1 -23 22  9  o 9.6438  2.6303  8.4158    9.9967    0.7388    13.550    17.586    14.809    8.0344  3.4637  11.253  3.9593  -3.218952      5.260571 
1 1 1 -23 22  10 o 10.936  2.8027  15.957    10.576    14.048    14.532    18.106    15.421    10.483  3.8891  11.389  4.0367  -0.9052086     5.605400 
1 1 1 -23 22  11 o 47.127  3.1914  321.109   40.048    0.0000    0.0000    321.109   40.048    ?       ?       47.127  3.1914  ?              ?        
1 1 1 -23 22  12 o 12.304  2.9153  21.889    12.813    34.606    16.429    2.1388    20.473    14.902  4.0223  9.7068  4.2210  5.195151       5.830603 
1 1 1 -23 22  13 o 13.478  2.7050  25.268    11.863    5.1640    16.270    48.083    17.333    9.2397  3.8818  17.717  3.7683  -8.477607      5.410033 
1 1 1 -23 22  14 o 8.5339  2.5616  3.0306    10.235    5.4388    14.085    0.3355    14.900    8.8110  3.6495  8.2567  3.5956  0.5543175      5.123245 
1 1 1 -23 22  15 o 12.724  3.0342  24.779    12.343    27.992    17.053    21.245    17.888    13.374  4.2411  12.074  4.3403  1.300423       6.068377 
1 1 1 -23 22  16 o 20.302  2.9457  65.339    15.472    71.178    21.597    59.183    22.177    21.448  3.9032  19.157  4.4130  2.291645       5.891453 
1 1 1 -23 22  17 o 14.139  2.9621  31.892    13.138    47.230    18.200    15.203    18.985    17.239  4.0162  11.039  4.3550  6.199380       5.924206 
1 1 1 -23 22  18 o 14.267  3.1128  32.965    13.518    22.331    18.557    44.987    19.731    12.085  4.4096  16.449  4.3947  -4.364298      6.225605 
1 1 1 -23 22  19 o 14.115  3.0414  32.989    13.199    20.522    18.476    45.982    18.862    11.631  4.3712  16.599  4.2301  -4.968429      6.082870 
1 1 1 -23 23  1  o 21.729  2.4656  68.912    13.856    66.378    19.215    71.658    20.000    21.305  3.4880  22.153  3.4858  -0.8483315     4.931208 
1 1 1 -23 23  2  o 37.920  2.0868  203.731   21.008    210.853   29.522    196.426   29.900    38.649  2.8724  37.191  3.0278  1.457283       4.173512 
1 1 1 -23 23  3  o 43.909  2.0763  272.884   24.198    246.370   33.814    300.714   34.643    41.618  3.0547  46.199  2.8130  -4.581341      4.152626 
1 1 1 -23 23  4  o 32.377  2.2279  150.763   19.000    162.628   26.702    138.594   27.042    33.791  2.9808  30.962  3.3121  2.828558       4.455861 
1 1 1 -23 23  5  o 21.940  2.5268  71.565    14.083    54.240    19.556    90.228    20.296    18.864  3.9948  25.016  3.0951  -6.152882      5.053511 
1 1 1 -23 23  6  o 12.710  2.9218  24.071    11.567    29.191    16.206    18.756    16.513    13.788  4.0923  11.633  4.1714  2.154816       5.843625 
1 1 1 -23 23  7  o 21.923  2.6526  72.175    14.805    54.277    20.296    92.532    21.645    18.697  4.1600  25.150  3.2922  -6.452869      5.305125 
1 1 1 -23 23  8  o 26.377  2.5659  105.465   17.063    129.392   23.825    80.270    24.448    29.953  3.0104  22.802  4.1561  7.150623       5.131861 
1 1 1 -23 23  9  o 40.079  3.2005  233.473   34.072    0.0000    0.0000    233.473   34.072    ?       ?       40.079  3.2005  ?              ?        
1 1 1 -23 23  10 o 35.421  3.1793  182.753   29.842    182.753   29.842    0.0000    0.0000    35.421  3.1793  ?       ?       ?              ?        
1 1 1 -23 23  11 o 38.391  2.2729  214.865   23.053    190.886   31.958    240.878   33.287    36.013  3.3516  40.768  3.0709  -4.755600      4.545709 
1 1 1 -23 23  12 o 16.763  3.0677  44.830    13.914    39.315    19.121    51.038    20.286    15.631  4.3875  17.894  4.2886  -2.262171      6.135368 
1 1 1 -23 23  13 o 16.861  2.9956  45.642    13.718    35.714    19.462    55.444    19.338    14.854  4.5018  18.867  3.9532  -4.013039      5.991182 
1 1 1 -23 23  14 o 25.731  2.6575  101.262   17.710    109.513   25.028    92.987    25.064    26.959  3.5527  24.504  3.9533  2.454187       5.315073 
1 1 1 -23 23  15 o 26.489  2.5877  107.414   17.780    114.777   24.792    99.616    25.514    27.634  3.4227  25.345  3.8820  2.288204       5.175426 
1 1 1 -23 23  16 o 17.141  3.1532  49.006    14.673    43.455    20.529    54.803    20.978    16.049  4.5608  18.233  4.3553  -2.184540      6.306363 
1 1 1 -23 23  17 o 14.589  3.1775  36.145    13.648    32.722    18.754    39.998    19.899    13.911  4.4515  15.267  4.5353  -1.356664      6.354925 
1 1 1 -23 24  1  o 25.409  2.4387  94.813    16.031    81.399    22.274    109.230   23.092    23.370  3.6801  27.448  3.2010  -4.078770      4.877444 
1 1 1 -23 24  2  o 32.926  2.1877  156.257   19.058    157.166   26.607    155.300   27.309    33.065  3.0383  32.786  3.1486  0.2795410      4.375434 
1 1 1 -23 24  3  o 36.713  2.1414  193.838   20.867    195.412   29.378    192.235   29.644    36.888  2.9994  36.538  3.0571  0.3499298      4.282751 
1 1 1 -23 24  4  o 8.9532  2.4844  -0.9233   10.135    -17.3973  13.426    20.898    15.452    5.9903  2.8772  11.916  4.0509  -5.925961      4.968746 
1 1 1 -23 24  5  o 37.633  2.2061  205.712   21.974    218.187   30.787    192.756   31.375    38.933  2.9748  36.333  3.2586  2.599957       4.412223 
1 1 1 -23 24  6  o 17.961  2.8678  52.213    13.784    68.305    18.870    33.799    20.185    21.407  3.4050  14.515  4.6154  6.891676       5.735507 
1 1 1 -23 24  7  o 12.669  3.0548  23.736    13.494    8.6184    20.396    35.504    17.995    10.418  4.3598  14.920  4.2801  -4.501250      6.109561 
1 1 1 -23 24  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 24  9  o 8.1282  2.5329  -1.0224   10.759    0.7466    14.930    -2.9333   15.517    8.2858  3.6038  7.9706  3.5603  0.3151827      5.065871 
1 1 1 -23 24  10 o 34.007  2.3568  171.044   21.178    171.236   29.473    170.841   30.451    34.088  3.2681  33.927  3.3966  0.1608849      4.713570 
1 1 1 -23 24  11 f 21.964  2.8225  75.400    15.820    55.730    21.910    96.827    22.867    18.510  4.4698  25.418  3.4477  -6.908461      5.645004 
1 1 1 -23 24  12 o 10.481  2.8531  12.656    11.912    21.608    16.313    2.4270    17.437    11.948  4.1582  9.0140  3.9075  2.933609       5.706107 
1 1 1 -23 24  13 o 8.1231  2.5143  -2.6676   11.048    8.1304    15.191    -14.7909  16.096    9.3454  3.8218  6.9007  3.2681  2.444711       5.028537 
1 1 1 -23 24  14 o 14.880  3.1915  37.302    13.947    42.366    19.609    32.116    19.843    15.898  4.4363  13.862  4.5892  2.036220       6.382909 
1 1 1 -23 24  15 o 8.5671  2.6359  1.1599    11.475    -5.1632   15.836    8.1510    16.652    7.6563  3.4909  9.4778  3.9504  -1.821487      5.271797 
1 1 1 -23 25  1  o 6.0873  2.0239  -9.3294   7.9573    -7.5833   9.6712    -12.9888  14.001    5.6532  2.6309  6.5213  3.0761  -0.8680587     4.047710 
1 1 1 -23 25  2  o 18.784  2.8909  57.722    14.444    77.672    19.856    35.299    21.051    22.848  3.3435  14.721  4.7169  8.127588       5.781708 
1 1 1 -23 25  3  o 23.199  2.6196  82.076    15.538    66.798    21.681    98.208    22.279    20.663  4.0622  25.735  3.3086  -5.072647      5.239144 
1 1 1 -23 25  4  o 31.904  2.3423  150.626   19.720    152.657   27.765    148.559   28.012    32.161  3.2686  31.646  3.3560  0.5153370      4.684680 
1 1 1 -23 25  5  o 15.022  4.4457  36.745    19.147    0.0000    0.0000    36.745    19.147    ?       ?       15.022  4.4457  ?              ?        
1 1 1 -23 25  6  o 13.122  4.2678  27.199    17.189    27.199    17.189    0.0000    0.0000    13.122  4.2678  ?       ?       ?              ?        
1 1 1 -23 25  7  o 31.004  2.4995  144.705   19.865    111.981   27.511    180.360   28.716    26.910  3.9329  35.098  3.0859  -8.188219      4.999075 
1 1 1 -23 25  8  f 11.912  3.0476  20.844    12.723    25.852    17.314    14.966    18.757    12.831  4.2884  10.994  4.3314  1.837037       6.095172 
1 1 1 -23 25  9  o 12.129  2.7303  17.818    12.664    42.304    17.499    -9.1098   18.351    16.282  4.0334  7.9756  3.6810  8.305925       5.460639 
1 1 1 -23 25  10 o 11.717  2.9730  18.996    12.963    31.441    17.596    4.2235    19.171    13.905  4.2933  9.5280  4.1138  4.377041       5.946042 
1 1 1 -23 25  11 o 9.7992  2.7498  6.9843    11.899    21.915    16.768    -8.1610   16.888    11.929  4.2114  7.6699  3.5369  4.258711       5.499562 
1 1 1 -23 25  12 o 11.272  2.9811  18.544    12.101    17.194    16.548    20.095    17.740    10.970  4.1341  11.574  4.2963  -0.6041327     5.962300 
1 1 1 -23 25  13 f 9.7824  2.7807  9.2153    11.796    19.487    16.483    -1.5697   16.890    11.301  4.1509  8.2642  3.7012  3.036480       5.561412 
1 1 1 -23 25  14 f 7.9344  2.5281  -2.7945   11.448    1.9054    15.917    -7.8312   16.478    8.4006  3.6857  7.4681  3.4613  0.9325190      5.056164 
1 1 1 -23 26  1  o 8.7417  2.6162  3.7851    10.829    9.2627    14.098    -4.0993   16.914    9.3572  3.7333  8.1263  3.6662  1.230901       5.232404 
1 1 1 -23 26  2  o 18.786  3.0219  57.382    14.862    61.080    20.400    53.200    21.696    19.645  4.0126  17.927  4.5195  1.717953       6.043725 
1 1 1 -23 26  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -23 26  4  o 21.036  3.3797  79.190    18.342    90.659    22.785    58.076    30.916    24.360  3.6006  17.712  5.7206  6.648680       6.759389 
1 1 1 -23 26  5  o 26.562  2.6461  108.844   18.215    117.098   25.514    100.262   26.014    27.809  3.5031  25.315  3.9668  2.493311       5.292222 
1 1 1 -23 26  6  o 11.325  2.8610  16.493    12.420    31.164    16.866    -0.8892   18.358    13.874  4.1878  8.7753  3.8992  5.098608       5.721990 
1 1 1 -23 26  7  o 20.148  3.0759  66.958    16.144    76.724    22.372    56.346    23.321    22.083  3.9262  18.214  4.7360  3.868912       6.151802 
1 1 1 -23 26  8  o 11.347  2.8855  15.180    13.087    33.977    17.986    -5.9700   19.079    14.328  4.3245  8.3668  3.8213  5.961252       5.770914 
1 1 1 -23 26  9  o 6.2255  2.1150  -18.0292  10.079    -23.2495  13.334    -11.0698  15.395    5.4596  2.6772  6.9914  3.2751  -1.531762      4.230084 
1 1 1 -23 26  10 o 18.556  3.1943  59.202    15.861    67.945    22.065    49.852    22.817    20.326  4.1921  16.785  4.8208  3.540546       6.388513 
1 1 1 -23 26  11 o 9.3223  2.7935  6.9603    12.056    5.3619    16.439    8.8206    17.734    8.9825  3.8426  9.6621  4.0556  -0.6796284     5.586935 
1 1 1 -23 26  12 o 11.766  3.1422  22.418    13.521    20.414    18.501    24.714    19.808    11.389  4.3522  12.143  4.5334  -0.7536125     6.284344 
1 1 1 -23 27  1  o 18.381  3.9543  54.036    18.891    54.036    18.891    0.0000    0.0000    18.381  3.9543  ?       ?       ?              ?        
1 1 1 -23 27  2  o 6.5607  2.1795  -25.0581  9.1023    -39.1083  10.964    6.1115    16.330    3.9212  1.9899  9.2002  3.8783  -5.279070      4.358980 
1 1 1 -23 27  3  o 32.077  2.4116  155.655   20.379    147.007   28.440    164.782   29.217    31.087  3.4749  33.066  3.3448  -1.979414      4.823161 
1 1 1 -23 27  4  o 27.681  2.6623  119.288   19.223    116.297   26.877    122.420   27.504    27.313  3.7748  28.049  3.7552  -0.7360897     5.324565 
1 1 1 -23 27  5  o 10.227  2.8187  10.771    12.328    23.603    16.530    -5.3158   18.507    12.180  4.1888  8.2733  3.7728  3.907042       5.637376 
1 1 1 -23 27  6  o 14.137  2.9877  31.556    13.654    12.072    18.860    53.015    19.793    10.366  4.2510  17.907  4.1993  -7.541121      5.975408 
1 1 1 -23 27  7  o 13.771  3.2309  32.591    13.901    33.017    19.120    32.113    20.247    13.881  4.5004  13.661  4.6370  0.2205820      6.461828 
1 1 1 -23 27  8  o 13.499  3.2412  31.076    14.154    23.975    19.354    39.240    20.751    12.138  4.4911  14.860  4.6746  -2.721933      6.482436 
1 1 1 -23 27  9  o 16.254  3.2123  46.516    15.293    29.776    21.002    65.413    22.314    13.014  4.6998  19.494  4.3804  -6.480170      6.424613 
1 1 1 -23 28  1  o 14.244  3.2015  34.071    13.813    26.919    18.481    43.124    20.793    12.754  4.4266  15.734  4.6262  -2.979612      6.402900 
1 1 1 -23 28  2  o 19.543  3.2261  65.372    16.557    63.568    22.721    67.416    24.178    19.330  4.4764  19.756  4.6469  -0.4257965     6.452242 
1 1 1 -23 28  3  o 31.395  2.7234  157.461   21.411    113.551   29.852    203.984   30.728    26.017  4.4434  36.772  3.1501  -10.75577      5.446726 
1 1 1 -23 28  4  o 11.596  2.9020  18.259    13.219    36.763    18.026    -3.2737   19.445    14.635  4.3087  8.5572  3.8887  6.077544       5.804018 
1 1 1 -23 28  5  o 14.108  3.3140  35.247    14.766    28.453    20.256    42.950    21.569    12.836  4.6182  15.380  4.7541  -2.544638      6.627967 
1 1 1 -23 28  6  o 8.2583  2.5281  -6.4738   12.048    15.874    16.510    -31.9329  17.622    10.480  4.0827  6.0371  2.9828  4.442448       5.056252 
1 1 1 -23 28  7  o 19.412  3.1547  66.719    16.818    39.878    22.778    98.889    24.937    14.432  4.9182  24.392  3.9521  -9.959919      6.309353 
1 1 1 -23 29  1  o 30.403  2.6461  148.497   21.025    135.839   29.248    162.032   30.243    28.872  3.8804  31.934  3.5986  -3.061825      5.292165 
1 1 1 -23 29  2  o 25.821  2.8764  110.705   18.973    89.601    26.068    134.476   27.666    22.698  4.4469  28.944  3.6498  -6.246178      5.752846 
1 1 1 -23 29  3  o 11.034  3.0567  17.816    13.966    28.316    18.860    5.0676    20.781    12.620  4.4651  9.4483  4.1757  3.171544       6.113390 
1 1 1 -23 29  4  o 16.759  3.2813  52.303    15.905    35.947    21.941    70.416    23.089    13.684  4.8188  19.834  4.4550  -6.150661      6.562597 
1 1 1 -23 30  1  o 9.8529  2.9377  12.359    13.122    11.911    17.162    12.988    20.361    9.6298  4.0118  10.076  4.2926  -0.4462566     5.875474 
1 1 1 -22 -24 13 o 7.4349  2.4757  -14.6347  12.243    -22.8005  21.105    -10.4932  15.030    7.7340  3.6854  7.1359  3.3068  0.5980592      4.951477 
1 1 1 -22 -24 14 o 18.803  3.3667  56.148    16.876    53.628    25.997    57.984    22.186    18.238  5.1148  19.368  4.3794  -1.130077      6.733495 
1 1 1 -22 -24 15 o 36.097  2.6428  190.185   25.028    217.989   36.634    165.848   34.274    38.709  3.5737  33.484  3.8943  5.224873       5.285543 
1 1 1 -22 -24 16 o 25.487  3.0690  99.074    20.096    97.550    29.828    100.341   27.194    25.118  4.6032  25.856  4.0604  -0.7387619     6.138062 
1 1 1 -22 -24 17 o 36.561  2.6217  195.842   25.296    198.698   36.635    193.239   34.972    36.761  3.7742  36.361  3.6398  0.4006195      5.243340 
1 1 1 -22 -24 18 o 10.487  3.1861  -4.4868   16.534    20.971    26.663    -20.3930  21.076    13.085  5.1614  7.8886  3.7370  5.196871       6.372225 
1 1 1 -22 -24 19 o 24.297  3.3245  91.735    20.747    98.834    31.301    86.172    27.708    25.046  4.8411  23.548  4.5578  1.497837       6.649024 
1 1 1 -22 -23 6  o 27.466  3.5251  110.039   25.335    0.0000    0.0000    110.039   25.335    ?       ?       27.466  3.5251  ?              ?        
1 1 1 -22 -23 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 8  o 25.937  4.1362  100.509   27.769    100.509   27.769    0.0000    0.0000    25.937  4.1362  ?       ?       ?              ?        
1 1 1 -22 -23 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 18 o 22.163  5.1446  77.366    29.952    77.366    29.952    0.0000    0.0000    22.163  5.1446  ?       ?       ?              ?        
1 1 1 -22 -23 19 o 14.137  5.0842  28.415    24.547    28.415    24.547    0.0000    0.0000    14.137  5.0842  ?       ?       ?              ?        
1 1 1 -22 -23 20 o 10.302  2.9429  2.8510    14.628    -26.7106  23.442    21.704    18.720    8.0680  3.8555  12.537  4.4472  -4.468504      5.885783 
1 1 1 -22 -23 21 o 40.569  2.5358  237.946   27.266    243.792   39.026    232.372   38.109    41.060  3.5844  40.078  3.5880  0.9815254      5.071677 
1 1 1 -22 -23 22 o 18.464  3.5701  53.601    18.259    65.706    27.207    43.680    24.630    20.322  5.0262  16.607  5.0715  3.715553       7.140194 
1 1 1 -22 -23 23 o 15.766  3.6104  37.790    17.582    50.560    26.565    27.836    23.455    17.684  5.2373  13.848  4.9709  3.836452       7.220715 
1 1 1 -22 -23 24 o 21.867  3.4497  75.851    19.944    99.388    29.032    54.817    27.445    25.440  4.4212  18.295  5.2968  7.145174       6.899479 
1 1 1 -22 -23 25 o 36.540  2.6624  198.120   25.566    187.051   37.006    208.227   35.362    35.358  3.9764  37.721  3.5414  -2.363663      5.324833 
1 1 1 -22 -22 2  o 12.748  4.7376  21.818    21.585    21.818    21.585    0.0000    0.0000    12.748  4.7376  ?       ?       ?              ?        
1 1 1 -22 -22 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -22 4  o 30.500  3.5415  134.517   28.394    0.0000    0.0000    134.517   28.394    ?       ?       30.500  3.5415  ?              ?        
1 1 1 -22 -22 5  o 17.905  3.7461  53.480    19.101    34.470    37.212    60.281    22.258    15.849  6.1420  19.961  4.2906  -4.111954      7.492208 
1 1 1 -22 -22 6  o 19.828  3.0548  63.726    16.287    32.290    24.510    88.583    21.795    14.823  5.1005  24.832  3.3633  -10.00849      6.109641 
1 1 1 -22 -22 7  o 22.869  2.9310  84.569    16.861    35.850    24.410    129.027   23.318    15.444  5.0889  30.294  2.9095  -14.84984      5.861955 
1 1 1 -22 -22 8  o 13.717  3.2382  26.958    14.435    17.048    21.496    35.098    19.481    12.171  4.6816  15.263  4.4752  -3.092204      6.476465 
1 1 1 -22 -22 9  f 28.087  2.6201  113.859   19.210    116.504   27.930    111.485   26.462    28.365  3.7696  27.808  3.6401  0.5569191      5.240251 
1 1 1 -22 -22 10 o 20.562  3.2098  64.290    17.155    60.461    25.489    67.461    23.195    19.842  4.8393  21.283  4.2180  -1.441217      6.419525 
1 1 1 -22 -22 11 o 16.246  2.9448  42.095    14.495    12.782    22.749    62.126    18.806    11.771  4.7263  20.720  3.5141  -8.949584      5.889552 
1 1 1 -22 -22 12 o 8.0924  2.5632  -4.5171   11.126    -11.9073  19.287    -0.8319   13.620    8.2432  3.7934  7.9417  3.4481  0.3014617      5.126325 
1 1 1 -22 -22 13 o 13.665  3.3173  25.813    14.560    30.712    22.283    22.163    19.234    14.538  4.8650  12.793  4.5110  1.745688       6.634558 
1 1 1 -22 -22 14 o 18.720  3.3207  54.342    16.719    45.003    25.289    61.593    22.284    17.117  5.1193  20.324  4.2310  -3.207798      6.641402 
1 1 1 -22 -22 15 o 36.189  2.4872  187.244   23.701    175.877   34.251    197.687   32.830    35.003  3.7098  37.375  3.3138  -2.371906      4.974309 
1 1 1 -22 -22 16 o 35.266  2.5689  177.383   23.796    201.298   34.725    156.208   32.675    37.605  3.4872  32.927  3.7730  4.678261       5.137712 
1 1 1 -22 -22 17 o 19.485  3.1871  55.974    16.730    82.751    25.238    34.987    22.344    23.676  4.1301  15.294  4.8553  8.381977       6.374276 
1 1 1 -22 -22 18 o 25.413  3.1043  95.383    20.125    122.750   29.853    72.585    27.247    29.034  3.9406  21.792  4.7978  7.242258       6.208651 
1 1 1 -22 -22 19 o 52.434  2.3756  389.384   33.059    431.675   47.262    348.869   46.259    55.363  3.2008  49.506  3.5113  5.856659       4.751292 
1 1 1 -22 -22 20 o 33.293  2.7134  162.291   23.346    137.237   33.675    185.472   32.393    30.498  4.2369  36.089  3.3909  -5.590891      5.426744 
1 1 1 -22 -22 21 o 22.317  4.5533  75.568    26.296    0.0000    0.0000    75.568    26.296    ?       ?       22.317  4.5533  ?              ?        
1 1 1 -22 -22 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -22 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -22 24 o 9.1405  4.1709  -10.0053  22.665    -10.0053  22.665    0.0000    0.0000    9.1405  4.1709  ?       ?       ?              ?        
1 1 1 -22 -22 25 o 20.426  3.2350  67.492    18.953    25.073    27.203    107.508   26.421    13.790  5.2755  27.061  3.7456  -13.27067      6.470008 
1 1 1 -22 -22 26 o 15.534  3.4267  34.192    17.435    60.236    25.692    11.957    23.739    19.459  4.9250  11.609  4.7659  7.849896       6.853420 
1 1 1 -22 -22 27 o 33.398  2.7973  168.486   23.868    135.540   34.471    198.830   33.082    29.734  4.4663  37.063  3.3693  -7.328474      5.594614 
1 1 1 -22 -22 28 o 31.477  2.8191  148.738   23.174    161.986   33.398    136.437   32.181    32.946  3.8577  30.008  4.1119  2.937580       5.638256 
1 1 1 -22 -21 1  o 10.360  4.1651  9.4921    17.692    0.0000    0.0000    9.4921    17.692    ?       ?       10.360  4.1651  ?              ?        
1 1 1 -22 -21 2  o 10.808  3.8017  15.422    13.653    0.0000    0.0000    15.422    13.653    ?       ?       10.808  3.8017  ?              ?        
1 1 1 -22 -21 3  o 16.236  3.1133  41.297    14.135    29.706    22.537    48.813    18.149    14.320  4.8921  18.153  3.8520  -3.832355      6.226571 
1 1 1 -22 -21 4  o 27.324  2.6430  107.947   18.816    110.799   27.368    105.391   25.912    27.639  3.7971  27.009  3.6775  0.6303272      5.286012 
1 1 1 -22 -21 5  o 27.265  2.5698  106.869   18.284    110.783   26.536    103.332   25.228    27.732  3.6620  26.799  3.6061  0.9335194      5.139506 
1 1 1 -22 -21 6  o 18.395  3.1075  50.472    15.143    60.027    22.330    42.336    20.604    20.047  4.2884  16.743  4.4985  3.303823       6.215047 
1 1 1 -22 -21 7  o 37.459  2.3022  197.962   22.850    193.012   32.644    202.717   31.996    36.952  3.3342  37.967  3.1755  -1.014950      4.604399 
1 1 1 -22 -21 8  o 11.564  2.9691  16.514    12.243    8.0812    18.824    22.696    16.117    10.462  4.2636  12.665  4.1333  -2.203030      5.938219 
1 1 1 -22 -21 9  o 19.518  2.9970  57.873    15.266    44.327    22.391    69.638    20.867    17.104  4.7291  21.931  3.6829  -4.827486      5.994002 
1 1 1 -22 -21 10 o 17.433  3.1952  46.575    15.246    36.438    22.813    54.756    20.495    15.634  4.8987  19.232  4.1037  -3.598531      6.390392 
1 1 1 -22 -21 11 o 30.782  2.5048  134.758   20.127    154.962   29.178    116.419   27.799    33.105  3.3361  28.459  3.7372  4.645710       5.009641 
1 1 1 -22 -21 12 o 15.183  3.0394  34.722    13.876    17.400    20.807    48.595    18.621    12.210  4.6274  18.156  3.9420  -5.946138      6.078894 
1 1 1 -22 -21 13 o 32.077  2.5639  147.646   20.907    191.486   30.296    107.787   28.888    36.965  3.0882  27.190  4.0936  9.774857       5.127812 
1 1 1 -22 -21 14 o 37.062  2.4083  194.425   23.620    189.334   33.717    199.332   33.100    36.534  3.4879  37.589  3.3217  -1.055164      4.816591 
1 1 1 -22 -21 15 o 11.890  3.1167  16.569    13.704    6.1880    20.856    24.457    18.179    10.607  4.4210  13.173  4.3941  -2.566525      6.233304 
1 1 1 -22 -21 16 o 61.430  2.3194  529.871   38.017    522.178   53.975    537.446   53.557    60.953  3.3185  61.907  3.2412  -0.9539146     4.638718 
1 1 1 -22 -21 17 o 27.678  2.7719  111.000   19.922    111.305   29.210    110.734   27.241    27.636  4.0678  27.720  3.7665  -0.8364677E-01 5.543814 
1 1 1 -22 -21 18 o 10.468  2.9419  4.1486    13.241    22.246    20.067    -9.8051   17.621    12.916  4.6020  8.0188  3.6663  4.897514       5.883867 
1 1 1 -22 -21 19 o 51.468  2.3038  372.427   31.594    377.481   44.912    367.475   44.453    51.819  3.2523  51.117  3.2637  0.7019844      4.607543 
1 1 1 -22 -21 20 o 31.975  2.5871  146.870   21.685    139.244   31.237    153.964   30.126    31.062  3.8360  32.887  3.4725  -1.825350      5.174284 
1 1 1 -22 -21 21 o 20.337  3.3041  62.446    17.624    71.101    25.913    54.997    24.041    21.697  4.6016  18.978  4.7428  2.718782       6.608243 
1 1 1 -22 -21 22 o 16.648  3.4727  42.439    16.551    40.314    24.411    44.247    22.516    16.275  5.0621  17.020  4.7553  -0.7448006     6.945352 
1 1 1 -22 -21 23 o 27.407  2.9542  113.755   20.195    81.681    29.185    143.223   27.974    23.091  4.8721  31.724  3.3425  -8.633005      5.908461 
1 1 1 -22 -21 24 o 22.367  3.1699  74.688    18.394    109.220   27.530    46.844    24.721    27.361  3.8640  17.373  5.0262  9.988203       6.339788 
1 1 1 -22 -21 25 o 23.490  4.3859  83.066    26.580    0.0000    0.0000    83.066    26.580    ?       ?       23.490  4.3859  ?              ?        
1 1 1 -22 -21 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -21 27 f 35.793  2.5370  185.368   23.982    192.969   34.368    178.154   33.481    36.536  3.5571  35.051  3.6183  1.484898       5.073908 
1 1 1 -22 -21 28 o 19.659  3.4159  61.027    18.687    86.927    26.924    36.956    25.956    23.875  4.3714  15.444  5.2502  8.431403       6.831829 
1 1 1 -22 -21 29 o 12.122  3.3295  13.902    16.734    31.661    23.630    -3.9639   23.701    14.428  5.0057  9.8171  4.3915  4.610465       6.658978 
1 1 1 -22 -21 30 o 33.998  2.6981  172.103   24.137    167.031   33.964    177.277   34.308    33.447  3.8622  34.549  3.7685  -1.101822      5.396144 
1 1 1 -22 -20 1  o 10.716  2.6679  14.156    10.690    -5.8130   18.881    23.577    12.969    8.7280  3.9108  12.705  3.6300  -3.976730      5.335877 
1 1 1 -22 -20 2  o 21.049  2.9043  65.475    15.753    66.848    23.149    64.292    21.499    21.205  4.2240  20.893  3.9872  0.3121471      5.808587 
1 1 1 -22 -20 3  o 19.881  2.9658  58.397    15.264    64.277    22.609    53.473    20.690    20.813  4.2005  18.949  4.1880  1.863989       5.931532 
1 1 1 -22 -20 4  o 33.420  2.3240  157.595   20.521    164.721   29.578    150.982   28.494    34.161  3.2727  32.679  3.3005  1.481335       4.647983 
1 1 1 -22 -20 5  o 7.4808  2.3263  -10.2983  8.1023    9.9180    16.460    -16.7635  9.3081    10.294  4.0569  4.6675  2.2777  5.626557       4.652553 
1 1 1 -22 -20 6  o 11.901  2.6167  20.836    10.183    3.1896    17.839    29.364    12.401    9.5846  4.0477  14.217  3.3172  -4.632527      5.233323 
1 1 1 -22 -20 7  o 20.939  2.8954  64.602    15.588    63.719    23.200    65.328    21.046    20.705  4.3229  21.173  3.8530  -0.4677963     5.790720 
1 1 1 -22 -20 8  o 8.9383  2.5673  1.2665    10.909    -18.1583  17.244    14.229    14.087    7.1841  3.3964  10.693  3.8508  -3.508485      5.134633 
1 1 1 -22 -20 9  o 22.073  2.8728  71.056    16.330    79.162    23.875    63.930    22.386    23.320  3.9641  20.825  4.1590  2.495081       5.745560 
1 1 1 -22 -20 10 o 11.155  3.0319  13.345    12.635    12.222    19.695    14.130    16.470    11.263  4.4381  11.047  4.1320  0.2154961      6.063828 
1 1 1 -22 -20 11 o 38.730  2.2980  211.244   23.432    240.068   33.272    182.881   33.006    41.499  3.0139  35.961  3.4697  5.538036       4.595957 
1 1 1 -22 -20 12 o 38.687  2.2781  210.663   23.268    189.937   33.134    230.830   32.684    36.688  3.4109  40.687  3.0206  -3.999828      4.556108 
1 1 1 -22 -20 13 o 36.557  2.3349  188.368   22.548    174.798   32.071    201.632   31.708    35.164  3.4495  37.949  3.1478  -2.785027      4.669871 
1 1 1 -22 -20 14 o 26.331  2.6215  99.459    17.739    119.312   25.666    81.303    24.544    29.037  3.3622  23.624  4.0230  5.412584       5.242974 
1 1 1 -22 -20 15 o 19.665  2.8848  55.297    15.869    103.413   23.956    17.679    21.183    26.997  3.3876  12.334  4.6703  14.66282       5.769537 
1 1 1 -22 -20 16 o 25.973  2.6914  96.795    18.109    107.779   26.514    87.191    24.792    27.418  3.7054  24.529  3.9044  2.888533       5.382724 
1 1 1 -22 -20 17 o 21.755  2.9933  69.349    16.775    84.460    24.715    56.441    22.842    24.099  3.9668  19.410  4.4838  4.688999       5.986639 
1 1 1 -22 -20 18 o 40.634  2.3097  231.814   24.895    247.874   35.812    216.795   34.631    42.037  3.2047  39.231  3.3270  2.806530       4.619473 
1 1 1 -22 -20 19 o 20.173  3.0864  62.035    16.270    46.090    23.735    76.170    22.347    17.415  4.8883  22.932  3.7693  -5.517347      6.172770 
1 1 1 -22 -20 20 o 26.953  2.6745  104.940   18.723    101.729   27.176    107.842   25.833    26.468  3.9546  27.439  3.6019  -0.9716568     5.349094 
1 1 1 -22 -20 21 o 23.055  3.0195  78.456    17.882    95.055    26.029    63.617    24.610    25.571  3.9258  20.540  4.5889  5.030880       6.039011 
1 1 1 -22 -20 22 o 14.048  3.2661  26.863    14.579    39.600    21.894    16.717    19.540    16.191  4.7433  11.905  4.4910  4.285821       6.532113 
1 1 1 -22 -20 23 o 23.813  3.0333  84.633    18.537    76.014    26.939    92.383    25.546    22.444  4.6347  25.182  3.9146  -2.738111      6.066681 
1 1 1 -22 -20 24 o 22.198  3.1619  74.037    18.127    72.699    26.311    75.246    25.009    21.922  4.6262  22.473  4.3115  -0.5509300     6.323846 
1 1 1 -22 -20 25 o 40.545  2.3742  234.165   25.345    204.819   36.018    262.948   35.671    37.838  3.5972  43.252  3.0997  -5.413933      4.748434 
1 1 1 -22 -20 26 o 22.802  3.1153  78.991    18.255    63.824    26.135    93.441    25.510    20.334  4.8639  25.269  3.8941  -4.935333      6.230667 
1 1 1 -22 -20 27 o 23.411  4.1188  83.596    23.443    101.857   45.796    77.112    27.290    24.376  6.7719  22.446  4.6903  1.929487       8.237551 
1 1 1 -22 -20 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -20 29 o 44.488  3.6373  286.067   35.275    269.387   39.802    347.143   76.161    43.278  3.4626  45.697  6.3977  -2.419136      7.274647 
1 1 1 -22 -20 30 o 14.072  3.4036  26.313    16.927    47.260    24.290    6.5351    23.603    17.215  4.9827  10.930  4.6379  6.285089       6.807167 
1 1 1 -22 -20 31 o 12.281  3.3451  14.447    16.674    -2.6490   22.800    34.100    24.446    9.7453  4.3370  14.816  5.0941  -5.071129      6.690276 
1 1 1 -22 -20 32 f 23.064  3.2961  84.407    19.660    98.759    28.378    71.158    27.264    25.223  4.3581  20.906  4.9461  4.316555       6.592186 
1 1 1 -22 -19 1  o 14.601  2.9392  32.502    12.732    17.894    19.863    42.690    16.588    12.150  4.5390  17.051  3.7353  -4.900921      5.878377 
1 1 1 -22 -19 2  o 34.645  2.2641  168.346   20.485    205.079   29.971    136.141   28.063    38.335  2.9413  30.954  3.4430  7.381100       4.528295 
1 1 1 -22 -19 3  o 32.098  2.3304  145.630   19.716    141.587   28.404    149.389   27.390    31.607  3.4090  32.589  3.1783  -0.9820976     4.660830 
1 1 1 -22 -19 4  o 24.737  2.5625  87.582    16.454    92.731    23.978    82.999    22.621    25.435  3.6219  24.039  3.6260  1.395727       5.125017 
1 1 1 -22 -19 5  o 23.430  2.7018  79.325    16.287    80.073    24.333    78.719    21.921    23.444  4.0197  23.417  3.6111  0.2641106E-01  5.403543 
1 1 1 -22 -19 6  o 23.444  2.6904  79.143    16.199    93.545    23.578    66.266    22.294    25.612  3.5308  21.276  4.0603  4.335873       5.380784 
1 1 1 -22 -19 7  o 10.155  2.7574  9.3537    11.295    -4.6094   18.283    17.972    14.364    8.7664  3.8934  11.544  3.9057  -2.778021      5.514813 
1 1 1 -22 -19 8  o 19.326  2.8551  54.508    14.283    59.658    20.987    50.065    19.495    20.198  4.0206  18.455  4.0546  1.743210       5.710112 
1 1 1 -22 -19 9  o 7.9686  2.4407  -1.9098   9.9470    -14.4982  16.614    5.1236    12.419    7.3314  3.4240  8.6057  3.4791  -1.274348      4.881363 
1 1 1 -22 -19 10 o 10.629  2.8040  12.993    10.684    7.8159    17.670    15.976    13.413    10.251  4.1480  11.007  3.7740  -0.7554407     5.607942 
1 1 1 -22 -19 11 o 13.479  3.0836  25.599    12.982    18.308    19.073    31.891    17.720    12.202  4.4678  14.756  4.2514  -2.553328      6.167276 
1 1 1 -22 -19 12 o 17.652  3.1022  46.081    14.569    48.693    21.532    43.876    19.786    18.091  4.4697  17.213  4.3031  0.8778477      6.204424 
1 1 1 -22 -19 13 o 22.684  2.7509  74.110    16.052    85.286    23.364    64.119    22.091    24.413  3.6879  20.954  4.0827  3.458675       5.501725 
1 1 1 -22 -19 14 o 35.215  2.3333  174.025   21.487    206.944   31.008    143.617   29.802    38.571  3.0257  31.860  3.5527  6.710588       4.666564 
1 1 1 -22 -19 15 o 66.331  2.2578  612.602   39.883    675.807   56.705    550.726   56.106    69.881  3.0295  62.782  3.3486  7.099045       4.515625 
1 1 1 -22 -19 16 o 18.423  3.0495  48.730    15.397    76.052    23.163    27.098    20.610    22.925  3.9126  13.920  4.6786  9.005575       6.099024 
1 1 1 -22 -19 17 o 18.468  3.1483  52.125    15.740    35.803    23.243    65.950    21.391    15.620  4.9513  21.316  3.8900  -5.695894      6.296615 
1 1 1 -22 -19 18 o 25.150  2.7359  91.659    17.727    82.685    25.500    100.054   24.662    23.800  4.1510  26.500  3.5650  -2.699667      5.471805 
1 1 1 -22 -19 19 f 7.6040  2.4254  -15.8347  10.836    5.4818    17.333    -29.5125  13.884    9.8151  4.0556  5.3930  2.6615  4.422022       4.850888 
1 1 1 -22 -19 20 o 51.460  2.2229  370.004   30.452    349.640   43.090    390.322   43.042    49.977  3.2364  52.942  3.0482  -2.964951      4.445815 
1 1 1 -22 -19 21 o 49.770  2.2003  346.038   29.175    340.213   41.558    351.698   40.967    49.323  3.1624  50.218  3.0603  -0.8955460     4.400673 
1 1 1 -22 -19 22 o 15.661  3.2406  36.153    15.419    19.231    22.174    51.995    21.455    12.680  4.7839  18.641  4.3726  -5.960979      6.481159 
1 1 1 -22 -19 23 o 43.820  2.2703  270.017   26.416    254.748   37.512    285.037   37.205    42.514  3.3205  45.126  3.0968  -2.612350      4.540518 
1 1 1 -22 -19 24 o 11.726  3.1662  13.855    14.187    24.163    20.899    5.0453    19.320    13.319  4.7016  10.134  4.2421  3.185498       6.332494 
1 1 1 -22 -19 25 o 25.814  2.8138  97.820    18.692    86.992    26.830    108.033   26.056    24.226  4.2919  27.403  3.6401  -3.177040      5.627697 
1 1 1 -22 -19 26 o 13.378  3.0200  17.243    15.634    -16.4075  22.241    50.117    21.982    8.5840  3.9931  18.171  4.5318  -9.587056      6.040040 
1 1 1 -22 -19 27 o 28.208  2.7243  115.674   20.000    107.313   28.100    124.259   28.474    27.081  3.9938  29.336  3.7064  -2.255577      5.448638 
1 1 1 -22 -19 28 o 15.568  3.4674  36.548    16.403    28.407    23.297    44.552    23.098    14.135  4.9665  17.000  4.8401  -2.864448      6.934876 
1 1 1 -22 -19 29 o 14.383  4.9924  30.094    23.507    0.0000    0.0000    30.094    23.507    ?       ?       14.383  4.9924  ?              ?        
1 1 1 -22 -19 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -19 31 o 13.806  3.3303  24.942    16.518    45.637    23.139    3.4392    23.586    17.010  4.8449  10.603  4.5705  6.406825       6.660510 
1 1 1 -22 -19 32 o 10.594  3.0475  1.9645    15.397    24.824    21.624    -21.5427  21.929    13.185  4.7678  8.0022  3.7969  5.182740       6.094975 
1 1 1 -22 -19 33 o 21.886  3.4484  77.208    19.713    82.447    27.795    71.905    27.962    22.779  4.7112  20.994  5.0370  1.784861       6.896856 
1 1 1 -22 -18 1  o 38.882  2.1789  211.296   22.496    214.901   32.397    207.940   31.261    39.188  3.1122  38.577  3.0503  0.6109848      4.357785 
1 1 1 -22 -18 2  o 32.273  2.1837  146.036   18.617    139.041   26.502    152.849   26.157    31.457  3.1895  33.089  2.9834  -1.632513      4.367301 
1 1 1 -22 -18 3  o 36.905  2.1780  190.072   21.188    218.044   30.521    164.052   29.437    39.628  2.8955  34.183  3.2544  5.445427       4.356025 
1 1 1 -22 -18 4  o 21.563  2.5791  66.467    14.277    79.189    20.957    55.447    19.504    23.605  3.4137  19.521  3.8670  4.084641       5.158182 
1 1 1 -22 -18 5  o 32.867  2.2010  150.804   19.139    152.176   27.452    149.506   26.696    33.000  3.1438  32.734  3.0811  0.2662468      4.401908 
1 1 1 -22 -18 6  o 8.9656  2.6194  2.7829    9.9628    9.5284    16.526    -1.0686   12.487    10.307  4.0641  7.6239  3.3058  2.683564       5.238853 
1 1 1 -22 -18 7  o 10.011  2.6386  11.322    9.4680    5.3108    16.146    14.472    11.689    9.5630  3.9287  10.459  3.5234  -0.8955441     5.277237 
1 1 1 -22 -18 8  o 29.225  2.3714  121.155   17.893    99.072    25.460    142.705   25.151    26.390  3.7039  32.060  2.9624  -5.669994      4.742842 
1 1 1 -22 -18 9  o 44.000  2.1164  267.878   24.783    258.547   34.931    277.336   35.168    43.204  3.0379  44.795  2.9476  -1.591846      4.232828 
1 1 1 -22 -18 10 o 24.733  2.5252  86.682    16.228    91.891    23.274    81.754    22.640    25.495  3.5007  23.972  3.6404  1.522219       5.050490 
1 1 1 -22 -18 11 o 16.758  3.0633  41.622    13.934    35.401    20.515    46.949    18.985    15.574  4.5998  17.941  4.0469  -2.367035      6.126643 
1 1 1 -22 -18 12 o 54.266  2.1622  407.583   31.219    440.856   44.240    374.579   44.061    56.550  2.9308  51.982  3.1798  4.567627       4.324422 
1 1 1 -22 -18 13 o 8.9931  2.6081  4.4967    10.090    -1.5028   16.253    8.2593    12.871    8.6529  3.7618  9.3333  3.6135  -0.6804447     5.216165 
1 1 1 -22 -18 14 f 37.208  2.2284  192.425   21.996    196.350   31.206    188.549   31.011    37.598  3.1270  36.818  3.1756  0.7796021      4.456782 
1 1 1 -22 -18 15 o 11.970  3.0805  16.799    12.850    22.632    19.148    12.021    17.332    13.040  4.5070  10.900  4.2007  2.139935       6.161098 
1 1 1 -22 -18 16 o 31.835  2.3941  142.792   19.970    129.028   28.631    155.832   27.868    30.224  3.6080  33.446  3.1478  -3.222879      4.788164 
1 1 1 -22 -18 17 o 29.470  2.4871  123.657   18.977    105.981   27.311    140.156   26.386    27.245  3.8498  31.695  3.1499  -4.450016      4.974229 
1 1 1 -22 -18 18 o 31.283  2.3627  138.026   19.366    127.331   28.078    147.730   26.745    30.014  3.5622  32.552  3.1050  -2.538252      4.725473 
1 1 1 -22 -18 19 o 35.655  2.3001  177.779   21.719    179.243   31.110    176.387   30.334    35.785  3.2823  35.524  3.2231  0.2610664      4.600192 
1 1 1 -22 -18 20 o 26.746  2.5965  102.934   17.836    86.161    25.485    119.037   24.971    24.390  4.0427  29.102  3.2594  -4.712355      5.192974 
1 1 1 -22 -18 21 o 43.651  2.2127  266.015   25.652    250.833   36.459    280.899   36.099    42.349  3.2387  44.952  3.0156  -2.603119      4.425307 
1 1 1 -22 -18 22 o 23.565  2.8816  81.739    17.363    67.750    24.861    95.060    24.260    21.340  4.4917  25.791  3.6108  -4.451283      5.763106 
1 1 1 -22 -18 23 o 54.629  2.1765  415.830   31.712    427.867   45.246    404.208   44.459    55.420  3.0599  53.837  3.0961  1.583012       4.353068 
1 1 1 -22 -18 24 o 12.310  3.1885  17.642    14.312    7.0471    20.356    28.001    20.127    10.631  4.3941  13.989  4.6215  -3.358176      6.376999 
1 1 1 -22 -18 25 o 32.402  2.4751  149.924   20.961    130.840   29.636    169.029   29.652    30.175  3.7475  34.629  3.2343  -4.454332      4.950159 
1 1 1 -22 -18 26 o 38.176  2.3725  207.207   23.771    177.072   33.608    237.374   33.626    35.205  3.6154  41.148  3.0731  -5.943699      4.745043 
1 1 1 -22 -18 27 o 16.395  3.4273  40.907    16.116    42.930    22.762    38.873    22.820    16.773  4.8143  16.018  4.8793  0.7550316      6.854606 
1 1 1 -22 -18 28 o 27.091  2.8194  107.302   19.843    109.970   28.240    104.700   27.888    27.446  3.9557  26.736  4.0186  0.7098465      5.638864 
1 1 1 -22 -18 29 o 13.938  3.4477  27.249    16.068    33.272    22.412    20.880    23.047    14.943  4.8740  12.933  4.8777  2.010344       6.895446 
1 1 1 -22 -18 30 o 32.566  2.6312  154.305   22.304    133.599   31.648    174.738   31.438    30.165  4.0168  34.966  3.3997  -4.800558      5.262377 
1 1 1 -22 -18 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -18 32 o 29.240  4.4434  133.705   28.186    126.218   31.517    163.616   62.997    29.047  4.1705  29.434  7.8475  -0.3862572     8.886845 
1 1 1 -22 -18 33 o 16.622  3.5391  43.687    17.858    59.839    25.282    27.604    25.229    19.361  4.8775  13.882  5.1293  5.479091       7.078153 
1 1 1 -22 -18 34 o 13.464  3.4492  21.483    17.607    0.6244    24.015    45.728    25.890    10.255  4.5125  16.674  5.2177  -6.418447      6.898337 
1 1 1 -22 -17 1  o 26.557  2.3177  99.069    16.070    111.049   23.437    88.439    22.076    28.130  3.1656  24.984  3.3861  3.146166       4.635364 
1 1 1 -22 -17 2  o 23.917  2.5331  82.511    15.472    68.116    22.254    95.980    21.526    21.673  3.9802  26.161  3.1343  -4.488054      5.066140 
1 1 1 -22 -17 3  o 18.175  2.8083  49.803    13.405    33.756    19.808    63.361    18.207    15.210  4.5265  21.140  3.3253  -5.929765      5.616638 
1 1 1 -22 -17 4  o 30.471  3.3013  129.975   26.513    129.975   26.513    0.0000    0.0000    30.471  3.3013  ?       ?       ?              ?        
1 1 1 -22 -17 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 8  o 43.126  3.6938  260.259   42.257    0.0000    0.0000    260.259   42.257    ?       ?       43.126  3.6938  ?              ?        
1 1 1 -22 -17 9  f 39.482  3.6914  218.241   38.584    0.0000    0.0000    218.241   38.584    ?       ?       39.482  3.6914  ?              ?        
1 1 1 -22 -17 10 o 22.491  4.0755  72.686    23.647    0.0000    0.0000    72.686    23.647    ?       ?       22.491  4.0755  ?              ?        
1 1 1 -22 -17 11 o 26.479  3.9998  99.816    27.483    0.0000    0.0000    99.816    27.483    ?       ?       26.479  3.9998  ?              ?        
1 1 1 -22 -17 12 o 41.036  3.7880  235.948   41.165    0.0000    0.0000    235.948   41.165    ?       ?       41.036  3.7880  ?              ?        
1 1 1 -22 -17 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 16 o 8.4917  3.7488  -3.9646   16.703    -3.9646   16.703    0.0000    0.0000    8.4917  3.7488  ?       ?       ?              ?        
1 1 1 -22 -17 17 o 22.586  2.8280  77.645    15.901    39.596    22.709    114.252   22.274    16.457  4.8335  28.716  2.9372  -12.25944      5.655954 
1 1 1 -22 -17 18 o 21.377  2.8346  67.185    15.479    52.317    22.481    80.588    21.344    18.854  4.5119  23.901  3.4326  -5.046965      5.669231 
1 1 1 -22 -17 19 o 15.429  3.1289  34.648    13.642    38.139    19.387    31.224    19.200    16.133  4.3758  14.724  4.4734  1.408786       6.257723 
1 1 1 -22 -17 20 o 36.486  2.2183  186.049   21.290    162.364   30.295    209.159   29.925    34.065  3.3643  38.907  2.8923  -4.842403      4.436617 
1 1 1 -22 -17 21 o 18.284  3.0004  49.519    14.841    68.712    21.138    30.858    20.842    21.883  3.7407  14.685  4.6922  7.198343       6.000737 
1 1 1 -22 -17 22 o 34.495  2.2923  166.302   20.826    187.357   30.011    146.743   28.924    36.685  3.0828  32.305  3.3935  4.379654       4.584694 
1 1 1 -22 -17 23 o 27.004  2.6240  105.935   17.977    82.752    25.833    127.704   25.033    23.812  4.2041  30.196  3.1411  -6.383455      5.247954 
1 1 1 -22 -17 24 o 45.290  2.1870  285.949   26.371    284.659   37.344    287.232   37.246    45.181  3.1047  45.399  3.0812  -0.2180405     4.374090 
1 1 1 -22 -17 25 o 36.462  2.2756  186.656   21.992    191.271   31.321    182.169   30.886    36.919  3.1990  36.004  3.2373  0.9145775      4.551178 
1 1 1 -22 -17 26 o 21.923  2.9787  71.104    16.820    83.846    24.124    59.049    23.463    24.026  3.8810  19.821  4.5198  4.204611       5.957410 
1 1 1 -22 -17 27 o 55.985  2.2272  439.179   33.244    457.858   47.214    420.815   46.815    57.213  3.0925  54.757  3.2060  2.456245       4.454376 
1 1 1 -22 -17 28 o 28.734  2.7824  121.340   20.065    158.186   28.789    86.532    27.981    33.436  3.2558  24.031  4.5129  9.405203       5.564783 
1 1 1 -22 -17 29 o 57.774  2.2511  469.726   34.658    443.003   48.859    496.791   49.171    56.040  3.2692  59.508  3.0956  -3.468170      4.502276 
1 1 1 -22 -17 30 o 23.833  3.1154  85.507    19.058    69.509    26.713    102.089   27.196    21.273  4.8021  26.392  3.9701  -5.119656      6.230711 
1 1 1 -22 -17 31 o 19.875  3.3770  61.045    17.743    61.218    24.540    60.857    25.684    19.954  4.6735  19.795  4.8760  0.1588078      6.754062 
1 1 1 -22 -17 32 o 18.000  5.1331  51.269    25.958    0.0000    0.0000    51.269    25.958    ?       ?       18.000  5.1331  ?              ?        
1 1 1 -22 -17 33 o 25.098  4.5038  96.287    29.164    96.287    29.164    0.0000    0.0000    25.098  4.5038  ?       ?       ?              ?        
1 1 1 -22 -17 34 o 26.302  3.1346  106.465   21.212    116.530   29.788    96.111    30.213    27.808  4.1243  24.795  4.7217  3.012806       6.269289 
1 1 1 -22 -17 35 o 16.086  3.2157  35.632    17.642    1.0531    24.115    75.453    25.878    10.308  4.5292  21.864  4.5662  -11.55641      6.431475 
1 1 1 -22 -16 1  o 42.289  3.6773  251.220   41.238    0.0000    0.0000    251.220   41.238    ?       ?       42.289  3.6773  ?              ?        
1 1 1 -22 -16 2  o 28.697  2.3049  115.306   17.340    111.120   25.233    119.052   23.868    28.138  3.4182  29.255  3.0929  -1.116936      4.609751 
1 1 1 -22 -16 3  o 32.492  2.1202  146.216   18.214    137.397   25.733    155.070   25.785    31.469  3.0929  33.516  2.9009  -2.046595      4.240430 
1 1 1 -22 -16 4  o 31.147  2.1506  134.332   17.711    134.139   25.182    134.522   24.916    31.118  3.0609  31.175  3.0218  -0.5749321E-01 4.301160 
1 1 1 -22 -16 5  o 21.518  2.5389  65.486    14.018    78.099    20.386    54.172    19.308    23.603  3.3161  19.433  3.8456  4.170496       5.077863 
1 1 1 -22 -16 6  f 43.292  2.0808  259.002   23.666    211.630   33.209    307.891   33.736    39.131  3.1963  47.454  2.6650  -8.322964      4.161581 
1 1 1 -22 -16 7  o 6.9012  2.2109  -7.1824   8.9386    -16.3789  14.512    -1.5599   11.347    6.5762  3.1110  7.2263  3.1423  -0.6500926     4.421863 
1 1 1 -22 -16 8  o 17.585  2.8151  44.417    12.959    49.684    18.815    39.663    17.876    18.603  3.9007  16.567  4.0600  2.035378       5.630191 
1 1 1 -22 -16 9  o 30.646  2.2481  130.285   18.039    149.074   25.791    112.291   25.240    32.901  2.9583  28.390  3.3859  4.510378       4.496242 
1 1 1 -22 -16 10 o 40.807  2.0763  229.008   22.472    248.237   31.765    209.742   31.796    42.578  2.8009  39.036  3.0657  3.541821       4.152534 
1 1 1 -22 -16 11 o 15.388  2.9070  32.881    12.862    49.913    18.891    18.163    17.561    18.655  3.9060  12.120  4.3064  6.534965       5.813945 
1 1 1 -22 -16 12 o 57.200  2.1020  448.328   32.079    476.009   45.253    420.365   45.482    59.060  2.8606  55.339  3.0807  3.721008       4.204000 
1 1 1 -22 -16 13 o 61.124  2.1222  511.602   34.667    529.531   49.051    493.709   49.002    62.256  2.9416  59.992  3.0596  2.263573       4.244325 
1 1 1 -22 -16 14 o 52.872  2.1038  383.624   29.635    404.380   41.869    362.786   41.952    54.347  2.8867  51.398  3.0612  2.949055       4.207584 
1 1 1 -22 -16 15 o 58.448  2.1213  468.450   33.095    473.890   47.062    463.127   46.550    58.785  2.9989  58.111  3.0010  0.6739120      4.242539 
1 1 1 -22 -16 16 o 65.368  2.1473  585.183   37.594    578.518   53.234    591.814   53.099    64.987  3.0583  65.750  3.0151  -0.7631226     4.294644 
1 1 1 -22 -16 17 o 17.124  2.9292  43.608    14.521    16.879    21.148    67.450    19.973    12.396  4.6731  21.851  3.5332  -9.454667      5.858420 
1 1 1 -22 -16 18 o 55.567  3.8615  431.275   57.115    0.0000    0.0000    431.275   57.115    ?       ?       55.567  3.8615  ?              ?        
1 1 1 -22 -16 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -16 20 o 16.040  4.5743  37.486    20.613    37.486    20.613    0.0000    0.0000    16.040  4.5743  ?       ?       ?              ?        
1 1 1 -22 -16 21 o 26.568  2.4293  99.145    16.642    119.702   24.173    80.622    22.946    29.328  3.1253  23.808  3.7200  5.519588       4.858591 
1 1 1 -22 -16 22 o 45.363  2.1118  284.221   25.511    288.031   36.462    280.566   35.707    45.656  2.9983  45.069  2.9747  0.5871696      4.223530 
1 1 1 -22 -16 23 o 19.038  3.0427  53.498    15.186    60.090    21.271    46.644    21.688    20.332  4.0482  17.744  4.5437  2.588148       6.085492 
1 1 1 -22 -16 24 o 12.210  3.0961  18.126    13.237    25.901    18.515    9.9965    18.932    13.574  4.4301  10.845  4.3264  2.729559       6.192267 
1 1 1 -22 -16 25 o 28.577  2.4820  115.744   18.569    123.490   26.536    108.311   25.994    29.567  3.4135  27.586  3.6041  1.980396       4.963958 
1 1 1 -22 -16 26 o 30.131  2.5969  131.605   19.898    100.873   28.369    161.359   27.915    26.310  4.1643  33.951  3.1040  -7.640976      5.193849 
1 1 1 -22 -16 27 o 7.8752  2.5363  -12.6009  12.243    -24.8156  17.183    -0.0069   17.448    6.6708  3.2166  9.0796  3.9224  -2.408784      5.072621 
1 1 1 -22 -16 28 o 42.571  2.2306  254.382   25.252    255.457   35.909    253.331   35.518    42.654  3.1657  42.489  3.1432  0.1649780      4.461102 
1 1 1 -22 -16 29 o 61.989  2.2563  539.640   37.334    548.584   52.963    530.805   52.634    62.516  3.1734  61.462  3.2083  1.054878       4.512599 
1 1 1 -22 -16 30 o 24.730  2.9759  90.580    19.003    89.729    26.608    91.465    27.150    24.622  4.1842  24.838  4.2328  -0.2155418     5.951826 
1 1 1 -22 -16 31 o 30.796  2.6365  137.292   21.231    125.786   29.888    149.012   30.165    29.377  3.8944  32.215  3.5551  -2.837797      5.273017 
1 1 1 -22 -16 32 o 43.224  2.3844  266.362   27.348    253.599   38.854    278.893   38.500    42.112  3.4757  44.336  3.2650  -2.223969      4.768715 
1 1 1 -22 -16 33 o 32.671  3.9536  156.847   33.894    0.0000    0.0000    156.847   33.894    ?       ?       32.671  3.9536  ?              ?        
1 1 1 -22 -16 34 o 7.5065  3.5519  -18.7002  18.935    -18.7002  18.935    0.0000    0.0000    7.5065  3.5519  ?       ?       ?              ?        
1 1 1 -22 -16 35 o 7.4010  2.5125  -26.2204  14.295    -34.0872  19.216    -16.4714  21.392    6.5600  3.2162  8.2419  3.8608  -1.681854      5.024932 
1 1 1 -22 -16 36 o 20.446  3.6888  69.580    20.409    59.476    28.652    79.986    29.077    18.755  5.4068  22.137  5.0196  -3.381607      7.377624 
1 1 1 -22 -15 1  o 15.476  2.7239  35.447    11.684    21.470    17.211    47.396    15.913    12.681  4.2755  18.271  3.3762  -5.589275      5.447752 
1 1 1 -22 -15 2  o 13.223  2.9339  24.454    11.567    22.180    17.496    26.220    15.418    12.866  4.3108  13.581  3.9809  -0.7148018     5.867737 
1 1 1 -22 -15 3  o 16.777  2.7887  41.182    12.404    32.708    18.212    48.515    16.941    15.088  4.2984  18.466  3.5541  -3.378104      5.577473 
1 1 1 -22 -15 4  o 33.674  2.1073  156.821   18.654    178.015   26.376    135.611   26.385    36.044  2.7528  31.304  3.1914  4.740284       4.214629 
1 1 1 -22 -15 5  o 25.891  2.2088  93.333    14.883    81.377    21.045    105.297   21.052    24.139  3.3447  27.643  2.8858  -3.503555      4.417533 
1 1 1 -22 -15 6  o 14.155  2.7540  27.388    11.260    41.155    16.667    15.832    15.271    16.957  3.7676  11.354  4.0178  5.602717       5.507965 
1 1 1 -22 -15 7  o 54.802  2.0174  410.347   29.496    419.437   41.387    400.965   42.048    55.442  2.7960  54.162  2.9090  1.279129       4.034861 
1 1 1 -22 -15 8  o 47.087  2.0053  303.186   25.131    322.896   35.565    283.529   35.517    48.653  2.7403  45.521  2.9285  3.131607       4.010662 
1 1 1 -22 -15 9  o 29.331  2.1534  118.949   16.572    131.967   23.415    105.882   23.458    31.011  2.8508  27.651  3.2281  3.360237       4.306705 
1 1 1 -22 -15 10 f 45.860  2.0460  287.884   24.960    304.818   35.142    270.646   35.456    47.261  2.7885  44.459  2.9949  2.801483       4.092056 
1 1 1 -22 -15 11 o 18.104  2.7350  47.768    12.948    33.220    18.597    61.457    18.039    15.257  4.3427  20.950  3.3258  -5.692986      5.469933 
1 1 1 -22 -15 12 o 55.253  2.0564  417.215   30.269    453.457   42.794    380.926   42.820    57.746  2.7667  52.761  3.0430  4.985538       4.112731 
1 1 1 -22 -15 13 o 21.615  2.5194  65.808    14.060    62.334    20.002    69.201    19.767    21.002  3.6904  22.228  3.4307  -1.225441      5.038703 
1 1 1 -22 -15 14 o 7.6810  2.3693  -2.0900   9.1534    -5.5946   14.258    0.3673    11.939    7.6275  3.4095  7.7345  3.2908  -0.1070132     4.738564 
1 1 1 -22 -15 15 o 39.624  2.0667  215.161   21.742    230.878   30.974    199.895   30.526    41.085  2.8320  38.163  3.0109  2.922348       4.133444 
1 1 1 -22 -15 16 o 40.852  2.1032  230.400   22.598    193.536   32.000    267.075   31.918    37.473  3.2195  44.232  2.7071  -6.759739      4.206357 
1 1 1 -22 -15 17 o 8.4632  2.5819  -1.7600   10.863    -8.0096   15.870    3.7487    14.900    7.8277  3.5395  9.0987  3.7599  -1.270977      5.163847 
1 1 1 -22 -15 18 o 31.128  2.2039  134.752   17.950    116.869   25.622    151.986   25.154    28.991  3.3621  33.266  2.8506  -4.275013      4.407897 
1 1 1 -22 -15 19 o 33.531  2.1630  154.976   19.196    157.944   27.827    152.281   26.515    33.824  3.1062  33.238  3.0110  0.5866699      4.326009 
1 1 1 -22 -15 20 o 26.369  2.3782  96.941    16.191    117.014   23.589    79.060    22.264    29.069  3.0763  23.668  3.6276  5.400841       4.756404 
1 1 1 -22 -15 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -15 22 o 22.370  5.1186  74.343    30.005    74.343    30.005    0.0000    0.0000    22.370  5.1186  ?       ?       ?              ?        
1 1 1 -22 -15 23 o 53.641  2.1077  396.515   30.159    402.440   42.553    390.536   42.750    54.060  2.9499  53.222  3.0113  0.8381958      4.215404 
1 1 1 -22 -15 24 o 15.543  2.7873  32.961    14.368    -1.6187   20.713    65.033    19.947    9.7414  4.2408  21.345  3.6182  -11.60371      5.574576 
1 1 1 -22 -15 25 o 13.881  2.9274  24.979    13.451    46.277    19.029    3.7095    19.016    17.775  4.0828  9.9872  4.1963  7.788172       5.854765 
1 1 1 -22 -15 26 o 32.624  2.3455  149.472   20.187    157.973   28.763    141.219   28.340    33.581  3.2379  31.666  3.3942  1.914871       4.690916 
1 1 1 -22 -15 27 o 23.201  2.8337  78.451    16.944    73.368    24.158    83.373    23.771    22.364  4.1869  24.039  3.8196  -1.674906      5.667428 
1 1 1 -22 -15 28 o 29.389  2.5211  123.556   19.258    140.656   27.350    106.740   27.122    31.570  3.2824  27.209  3.8274  4.361086       5.042112 
1 1 1 -22 -15 29 o 27.810  2.6773  111.776   19.383    117.627   27.211    105.750   27.617    28.640  3.6286  26.980  3.9375  1.659121       5.354557 
1 1 1 -22 -15 30 o 7.8213  2.5665  -14.5070  12.850    -20.1510  17.348    -7.6455   19.128    7.0356  3.3495  8.6069  3.8895  -1.571357      5.132962 
1 1 1 -22 -15 31 o 24.221  3.1660  88.128    19.775    90.281    27.730    85.899    28.210    24.588  4.3705  23.854  4.5818  0.7348080      6.332040 
1 1 1 -22 -15 32 o 17.622  3.4699  48.407    17.132    54.804    23.521    41.177    25.005    18.887  4.6747  16.357  5.1291  2.529119       6.939749 
1 1 1 -22 -15 33 o 32.933  2.6645  157.586   23.063    156.088   33.118    158.996   32.135    32.723  3.8523  33.143  3.6822  -0.4196548     5.329048 
1 1 1 -22 -15 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -15 35 o 13.096  3.5456  20.594    17.917    9.0029    25.047    32.740    25.639    11.449  4.8135  14.742  5.2072  -3.293379      7.091163 
1 1 1 -22 -15 36 o 26.995  3.2150  113.009   22.347    100.294   31.076    126.624   32.158    25.208  4.7773  28.781  4.3036  -3.572519      6.429923 
1 1 1 -22 -15 37 o 13.597  3.5460  19.816    19.368    -7.4627   26.512    51.040    28.364    9.9032  4.5159  17.292  5.4683  -7.388418      7.091934 
1 1 1 -22 -14 1  o 52.500  1.9925  376.885   27.906    388.828   39.524    365.013   39.406    53.348  2.7756  51.653  2.8594  1.695168       3.984946 
1 1 1 -22 -14 2  o 67.486  2.1021  621.597   37.996    623.372   53.896    619.843   53.574    67.579  2.9775  67.392  2.9680  0.1875000      4.204119 
1 1 1 -22 -14 3  o 25.188  2.2236  87.985    14.665    87.017    21.045    88.899    20.446    25.033  3.2129  25.343  3.0750  -0.3103638     4.447261 
1 1 1 -22 -14 4  o 30.560  2.0354  128.250   16.454    124.291   23.352    132.153   23.188    30.072  2.9366  31.047  2.8192  -0.9751835     4.070779 
1 1 1 -22 -14 5  o 22.627  2.3622  71.653    13.823    64.747    19.637    78.435    19.460    21.469  3.5382  23.785  3.1307  -2.316010      4.724405 
1 1 1 -22 -14 6  o 28.345  2.1373  110.566   15.972    107.462   22.383    113.788   22.800    27.931  3.0410  28.759  3.0041  -0.8286705     4.274625 
1 1 1 -22 -14 7  o 48.255  1.9753  317.283   25.421    316.409   35.825    318.170   36.078    48.190  2.7874  48.320  2.7995  -0.1308479     3.950577 
1 1 1 -22 -14 8  o 32.799  2.0386  147.453   17.693    156.978   25.000    137.895   25.043    33.895  2.7781  31.703  2.9843  2.191450       4.077229 
1 1 1 -22 -14 9  o 57.042  2.0179  442.572   30.777    437.441   43.488    447.721   43.564    56.670  2.8744  57.414  2.8328  -0.7439537     4.035731 
1 1 1 -22 -14 10 o 48.360  2.0146  318.723   25.980    318.711   36.614    318.735   36.869    48.362  2.8390  48.358  2.8591  0.4116058E-02  4.029200 
1 1 1 -22 -14 11 o 58.095  2.0566  459.412   31.920    439.026   45.051    479.963   45.233    56.743  2.9746  59.446  2.8408  -2.703548      4.113163 
1 1 1 -22 -14 12 o 38.185  2.0623  200.351   20.678    236.046   29.441    165.598   29.050    41.644  2.6533  34.725  3.1578  6.918957       4.124509 
1 1 1 -22 -14 13 o 34.228  2.0493  160.416   18.599    156.770   26.571    163.917   26.041    33.828  2.9624  34.629  2.8324  -0.8006859     4.098593 
1 1 1 -22 -14 14 o 16.447  2.6717  39.755    12.153    18.888    17.542    59.016    16.854    12.311  4.3105  20.583  3.1578  -8.272728      5.343408 
1 1 1 -22 -14 15 o 16.022  2.8370  36.686    12.147    38.770    17.506    34.751    16.869    16.455  4.0088  15.588  4.0155  0.8663397      5.674090 
1 1 1 -22 -14 16 o 49.482  2.0213  334.253   26.651    320.415   37.836    347.880   37.546    48.438  2.9300  50.525  2.7852  -2.086418      4.042568 
1 1 1 -22 -14 17 o 42.662  2.0162  248.599   22.890    261.435   32.646    236.186   32.103    43.765  2.7996  41.559  2.9022  2.205437       4.032445 
1 1 1 -22 -14 18 o 14.640  2.8377  30.080    11.970    42.524    17.087    18.088    16.774    17.250  3.8007  12.029  4.2149  5.220449       5.675440 
1 1 1 -22 -14 19 o 51.104  2.0177  357.023   27.490    348.995   39.311    364.706   38.456    50.517  2.9177  51.691  2.7878  -1.174152      4.035434 
1 1 1 -22 -14 20 o 15.170  2.9515  32.800    12.684    23.128    17.869    42.623    18.008    13.127  4.3554  17.213  3.9846  -4.086232      5.903080 
1 1 1 -22 -14 21 o 12.028  2.9656  18.366    11.735    18.551    16.425    18.173    16.771    12.044  4.1736  12.013  4.2142  0.3018856E-01  5.931140 
1 1 1 -22 -14 22 o 34.435  2.1587  163.696   19.695    159.788   28.001    167.522   27.705    34.006  3.1086  34.863  2.9961  -0.8567734     4.317386 
1 1 1 -22 -14 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -14 24 o 7.1618  3.3348  -13.4210  15.575    -13.4210  15.575    0.0000    0.0000    7.1618  3.3348  ?       ?       ?              ?        
1 1 1 -22 -14 25 o 46.088  2.1224  293.555   26.019    311.727   36.864    275.517   36.729    47.559  2.9079  44.618  3.0924  2.940437       4.244803 
1 1 1 -22 -14 26 o 46.376  2.1658  298.094   26.707    319.644   38.037    277.142   37.507    48.084  2.9679  44.669  3.1551  3.414200       4.331636 
1 1 1 -22 -14 27 f 37.015  2.2798  191.512   22.367    198.158   31.740    184.956   31.524    37.680  3.1745  36.349  3.2729  1.330940       4.559570 
1 1 1 -22 -14 28 o 13.381  3.0300  20.144    14.216    -1.4144   19.426    45.001    20.860    9.4045  4.1003  17.358  4.4621  -7.953370      6.059942 
1 1 1 -22 -14 29 f 36.744  2.3422  190.293   22.800    194.556   32.347    186.085   32.143    37.172  3.2826  36.316  3.3420  0.8558159      4.684490 
1 1 1 -22 -14 30 o 25.844  2.8726  98.589    18.826    74.942    26.415    122.997   26.837    22.326  4.5711  29.362  3.4802  -7.036009      5.745154 
1 1 1 -22 -14 31 o 37.904  2.4101  204.075   24.203    208.429   34.516    199.864   33.949    38.310  3.3990  37.498  3.4177  0.8119316      4.820121 
1 1 1 -22 -14 32 o 21.761  3.3924  72.677    19.242    74.602    27.127    70.726    27.300    22.097  4.7263  21.426  4.8677  0.6712513      6.784750 
1 1 1 -22 -14 33 o 23.288  3.2425  82.754    19.469    75.126    28.059    89.836    27.037    22.048  4.8804  24.527  4.2706  -2.479939      6.485081 
1 1 1 -22 -14 34 o 29.599  2.9804  130.392   22.923    126.849   32.979    133.704   31.885    29.102  4.3656  30.097  4.0588  -0.9952545     5.960847 
1 1 1 -22 -14 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -14 36 o 14.869  3.7467  33.589    18.897    37.735    26.418    29.246    27.041    15.498  5.2966  14.241  5.3007  1.256421       7.493437 
1 1 1 -22 -14 37 f 19.744  3.9262  66.427    21.657    69.272    29.589    63.146    31.782    20.344  5.3564  19.144  5.7420  1.200094       7.852460 
1 1 1 -22 -13 1  o 12.287  2.7176  20.630    9.9103    21.966    14.628    19.497    13.474    12.622  3.9174  11.953  3.7677  0.6694021      5.435208 
1 1 1 -22 -13 2  o 57.725  2.0016  453.555   30.873    433.087   43.492    474.344   43.832    56.358  2.8909  59.092  2.7693  -2.734062      4.003290 
1 1 1 -22 -13 3  o 13.200  2.6790  24.402    9.8845    25.126    15.208    23.873    13.006    13.395  3.9615  13.004  3.6075  0.3918133      5.357991 
1 1 1 -22 -13 4  o 41.958  1.9455  239.737   21.715    223.921   30.367    256.286   31.062    40.520  2.8155  43.396  2.6856  -2.876080      3.890941 
1 1 1 -22 -13 5  o 32.531  2.0254  145.631   17.292    166.701   24.381    124.304   24.529    34.985  2.6209  30.076  3.0887  4.909416       4.050827 
1 1 1 -22 -13 6  f 52.916  1.9728  380.731   27.860    376.816   39.110    384.765   39.698    52.641  2.7837  53.191  2.7962  -0.5502129     3.945565 
1 1 1 -22 -13 7  o 31.299  2.0243  133.996   16.780    135.936   23.678    132.038   23.783    31.535  2.8335  31.063  2.8917  0.4720192      4.048515 
1 1 1 -22 -13 8  f 42.805  1.9638  249.559   22.341    229.186   31.416    270.404   31.777    41.004  2.8787  44.606  2.6720  -3.602509      3.927685 
1 1 1 -22 -13 9  o 28.677  2.1156  113.161   15.929    101.667   22.562    124.581   22.491    27.167  3.1597  30.187  2.8140  -3.020464      4.231107 
1 1 1 -22 -13 10 o 29.678  2.0924  120.939   16.345    109.538   23.081    132.406   23.149    28.226  3.1043  31.131  2.8063  -2.905130      4.184716 
1 1 1 -22 -13 11 o 40.570  1.9957  224.241   21.541    232.152   30.509    216.378   30.419    41.298  2.7742  39.841  2.8697  1.456779       3.991422 
1 1 1 -22 -13 12 o 29.283  2.0992  117.585   16.205    126.286   23.094    109.145   22.745    30.382  2.8720  28.183  3.0623  2.199169       4.198324 
1 1 1 -22 -13 13 o 42.478  1.9657  245.606   22.230    256.228   31.614    235.217   31.265    43.402  2.7334  41.554  2.8258  1.847298       3.931479 
1 1 1 -22 -13 14 o 27.324  2.1336  102.770   15.328    98.502    21.949    106.833   21.415    26.738  3.1236  27.910  2.9074  -1.171625      4.267291 
1 1 1 -22 -13 15 o 34.055  2.0429  158.654   18.441    153.503   26.304    163.634   25.862    33.490  2.9629  34.621  2.8133  -1.130989      4.085746 
1 1 1 -22 -13 16 o 52.190  1.9880  370.591   27.663    391.071   39.464    350.807   38.788    53.627  2.7567  50.753  2.8650  2.874310       3.975914 
1 1 1 -22 -13 17 o 23.338  2.5194  79.081    14.509    50.818    20.743    106.153   20.302    18.838  4.2163  27.839  2.7590  -9.000795      5.038726 
1 1 1 -22 -13 18 o 58.134  2.0310  460.634   31.505    432.558   44.791    488.125   44.322    56.306  2.9805  59.961  2.7597  -3.654148      4.061949 
1 1 1 -22 -13 19 o 21.337  2.5615  63.985    14.104    66.393    20.468    61.809    19.463    21.721  3.6474  20.954  3.5973  0.7669735      5.122934 
1 1 1 -22 -13 20 o 55.558  2.0244  420.697   30.052    437.923   42.670    403.743   42.333    56.741  2.8076  54.374  2.9173  2.366459       4.048884 
1 1 1 -22 -13 21 o 51.661  2.0511  365.385   28.205    339.882   39.998    390.608   39.778    49.819  3.0117  53.502  2.7854  -3.683556      4.102260 
1 1 1 -22 -13 22 o 43.976  2.0715  265.577   24.125    298.934   34.366    233.165   33.876    46.773  2.7553  41.179  3.0940  5.594269       4.142975 
1 1 1 -22 -13 23 o 44.828  2.0710  275.891   24.713    266.359   35.111    285.249   34.790    44.032  2.9948  45.623  2.8615  -1.590420      4.142095 
1 1 1 -22 -13 24 o 43.671  2.5394  236.199   27.503    356.711   51.433    187.941   32.547    50.541  3.8278  36.801  3.3382  13.73930       5.078879 
1 1 1 -22 -13 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -13 26 o 12.485  3.1230  19.332    13.395    26.624    18.577    11.435    19.332    13.782  4.4326  11.188  4.4006  2.594285       6.246045 
1 1 1 -22 -13 27 o 20.455  3.0411  61.387    16.134    64.951    22.710    57.755    22.925    21.116  4.1632  19.794  4.4341  1.322657       6.082216 
1 1 1 -22 -13 28 o 22.931  2.9987  76.810    17.734    74.882    24.685    78.867    25.494    22.633  4.2275  23.230  4.2542  -0.5968895     5.997469 
1 1 1 -22 -13 29 o 13.736  3.2915  26.288    14.431    24.606    20.169    28.054    20.658    13.403  4.6260  14.068  4.6837  -0.6644526     6.583080 
1 1 1 -22 -13 30 o 35.376  2.4547  178.096   22.809    158.579   32.383    197.311   32.132    33.303  3.6926  37.449  3.2352  -4.146046      4.909340 
1 1 1 -22 -13 31 o 18.142  3.0839  48.404    17.188    10.855    24.028    87.752    24.597    11.735  4.8036  24.548  3.8689  -12.81340      6.167892 
1 1 1 -22 -13 32 o 10.154  3.0660  -0.2927   15.097    -10.8844  20.279    12.874    22.611    8.5693  3.9236  11.740  4.7125  -3.170170      6.132065 
1 1 1 -22 -13 33 o 34.822  2.6445  175.330   24.253    167.855   34.357    182.755   34.240    34.009  3.8389  35.636  3.6383  -1.627113      5.289065 
1 1 1 -22 -13 34 o 22.124  3.5490  77.163    20.799    57.658    29.511    96.416    29.319    18.981  5.4917  25.267  4.4971  -6.285578      7.098048 
1 1 1 -22 -13 35 o 41.713  3.2097  263.378   33.550    253.437   55.411    269.132   42.155    40.325  5.2551  43.102  3.6869  -2.777187      6.419438 
1 1 1 -22 -13 36 o 38.321  4.0398  217.878   40.841    217.878   40.841    0.0000    0.0000    38.321  4.0398  ?       ?       ?              ?        
1 1 1 -22 -13 37 o 30.210  2.9565  145.249   20.515    118.461   36.378    157.743   24.843    27.086  5.2033  33.334  2.8085  -6.248447      5.912906 
1 1 1 -22 -13 38 o 15.211  3.2526  39.580    15.194    19.455    27.564    48.364    18.211    12.742  5.1720  17.680  3.9457  -4.937679      6.505226 
1 1 1 -22 -12 1  o 53.823  1.9656  394.180   28.207    425.764   39.960    362.816   39.820    56.044  2.6620  51.603  2.8927  4.441822       3.931137 
1 1 1 -22 -12 2  o 16.422  2.5542  38.143    10.909    40.353    16.053    36.248    14.870    16.862  3.6596  15.983  3.5642  0.8789883      5.108459 
1 1 1 -22 -12 3  o 11.862  2.3390  20.031    8.6109    5.3962    13.379    30.380    11.251    9.0187  3.6234  14.705  2.9589  -5.686666      4.677981 
1 1 1 -22 -12 4  o 60.132  1.9721  490.366   31.732    513.942   44.819    466.669   44.933    61.601  2.7164  58.664  2.8596  2.936848       3.944121 
1 1 1 -22 -12 5  o 55.742  1.9654  421.449   29.294    422.969   41.243    419.902   41.617    55.882  2.7554  55.601  2.8035  0.2817879      3.930876 
1 1 1 -22 -12 6  o 93.022  2.3491  1177.54   58.528    1181.47   83.039    1173.65   82.505    93.174  3.3274  92.870  3.3168  0.3041000      4.698125 
1 1 1 -22 -12 7  f 64.136  2.0234  557.849   34.709    592.552   49.125    523.255   49.048    66.153  2.7725  62.120  2.9478  4.032700       4.046737 
1 1 1 -22 -12 8  o 68.477  2.0598  635.563   37.779    632.767   53.443    638.355   53.412    68.324  2.9203  68.630  2.9056  -0.3051147     4.119543 
1 1 1 -22 -12 9  o 22.700  2.3303  72.081    13.526    57.752    19.070    86.587    19.187    20.284  3.6439  25.116  2.9058  -4.832079      4.660639 
1 1 1 -22 -12 10 o 66.072  2.0634  591.644   36.507    609.288   51.834    574.279   51.425    67.058  2.8859  65.086  2.9498  1.971954       4.126715 
1 1 1 -22 -12 11 o 58.767  2.0127  468.457   31.602    491.735   44.882    445.570   44.504    60.267  2.7803  57.268  2.9109  2.999378       4.025385 
1 1 1 -22 -12 12 o 17.046  2.6530  41.209    11.782    40.318    16.896    42.052    16.437    16.852  3.8302  17.241  3.6719  -0.3887424     5.305923 
1 1 1 -22 -12 13 o 25.709  2.1585  91.043    14.546    86.539    20.761    95.386    20.385    25.051  3.1648  26.368  2.9361  -1.317467      4.317041 
1 1 1 -22 -12 14 f 35.952  1.9923  176.311   19.011    169.527   27.107    182.880   26.670    35.249  2.8967  36.655  2.7362  -1.405945      3.984635 
1 1 1 -22 -12 15 o 20.061  2.4437  56.176    12.609    64.917    18.325    48.317    17.375    21.615  3.2673  18.507  3.6349  3.107391       4.887462 
1 1 1 -22 -12 16 o 59.799  2.0143  484.808   32.261    487.809   45.990    481.900   45.265    59.977  2.8628  59.620  2.8346  0.3571472      4.028666 
1 1 1 -22 -12 17 o 61.511  2.0225  513.252   33.319    514.442   47.422    512.092   46.824    61.577  2.8752  61.444  2.8451  0.1325455      4.044953 
1 1 1 -22 -12 18 o 55.838  2.0069  424.062   29.915    430.151   42.623    418.152   41.995    56.234  2.8390  55.442  2.8374  0.7912865      4.013837 
1 1 1 -22 -12 19 o 14.480  2.7327  29.138    11.725    45.650    16.558    12.534    16.604    17.968  3.5663  10.992  4.1414  6.976501       5.465329 
1 1 1 -22 -12 20 o 67.542  2.0839  620.502   37.698    628.015   53.489    613.086   53.139    67.951  2.9388  67.133  2.9552  0.8182526      4.167737 
1 1 1 -22 -12 21 o 75.300  2.2185  773.774   44.733    754.503   63.295    793.003   63.228    74.345  3.1785  76.255  3.0957  -1.910378      4.436913 
1 1 1 -22 -12 22 o 53.905  2.0565  397.309   29.548    378.945   41.996    415.312   41.581    52.636  2.9911  55.173  2.8232  -2.537041      4.113042 
1 1 1 -22 -12 23 o 84.181  2.3256  971.448   52.434    959.758   74.100    983.171   74.205    83.663  3.3067  84.698  3.2709  -1.035583      4.651154 
1 1 1 -22 -12 24 o 22.940  2.7055  75.543    15.802    59.009    22.415    91.879    22.281    20.213  4.2738  25.667  3.3187  -5.453327      5.410959 
1 1 1 -22 -12 25 o 54.451  2.1199  407.486   30.779    393.441   43.674    421.345   43.383    53.487  3.0613  55.415  2.9333  -1.928532      4.239739 
1 1 1 -22 -12 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -12 27 o 11.728  3.0274  14.715    13.130    25.780    18.195    2.6909    18.967    13.585  4.3886  9.8714  4.1715  3.713699       6.054852 
1 1 1 -22 -12 28 o 20.198  3.1323  60.142    16.485    56.382    23.229    63.957    23.400    19.513  4.5312  20.882  4.3259  -1.369118      6.264565 
1 1 1 -22 -12 29 o 11.745  3.1466  15.290    13.627    12.471    18.890    18.350    19.678    11.203  4.3665  12.286  4.5319  -1.082264      6.293204 
1 1 1 -22 -12 30 o 19.563  3.3947  58.302    17.816    47.588    25.508    68.508    24.895    17.684  5.1025  21.443  4.4791  -3.758482      6.789485 
1 1 1 -22 -12 31 o 15.219  3.4220  32.529    16.284    19.295    22.075    48.326    24.118    12.655  4.7735  17.783  4.9045  -5.128582      6.843999 
1 1 1 -22 -12 32 o 23.028  3.2608  81.948    19.521    117.063   27.856    48.066    27.363    28.462  3.7449  17.595  5.3392  10.86699       6.521627 
1 1 1 -22 -12 33 o 9.3434  2.9583  -5.3740   15.096    -0.8280   19.182    -12.7724  24.471    9.3310  4.0711  9.3558  4.2933  -0.2484322E-01 5.916655 
1 1 1 -22 -12 34 o 18.787  3.5591  53.354    19.889    25.098    27.218    85.730    29.135    13.924  5.2888  23.650  4.7641  -9.725475      7.118204 
1 1 1 -22 -12 35 o 16.696  2.8560  49.920    13.733    11.386    25.490    65.680    16.301    11.899  4.9175  21.494  2.9059  -9.594940      5.711940 
1 1 1 -22 -12 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -12 37 o 34.208  2.5764  167.354   21.835    184.563   38.548    159.224   26.496    35.007  4.1947  33.409  2.9926  1.597866       5.152749 
1 1 1 -22 -12 38 o 25.191  3.2748  105.826   19.203    84.879    34.563    115.179   23.095    22.183  5.7644  28.200  3.1093  -6.017370      6.549547 
1 1 1 -22 -11 1  o 16.091  2.4325  37.263    10.213    27.111    14.713    46.704    14.188    13.860  3.8339  18.321  2.9948  -4.461065      4.864934 
1 1 1 -22 -11 2  o 34.105  1.9172  158.414   17.369    157.356   24.461    159.490   24.666    33.990  2.7093  34.220  2.7134  -0.2304649     3.834418 
1 1 1 -22 -11 3  f 72.403  2.0654  710.633   40.052    718.192   56.633    703.070   56.652    72.793  2.9046  72.013  2.9371  0.7800903      4.130755 
1 1 1 -22 -11 4  o 73.754  2.0695  737.254   40.876    722.958   57.864    751.495   57.753    73.031  2.9581  74.477  2.8951  -1.446259      4.139060 
1 1 1 -22 -11 5  o 45.214  2.4529  266.703   26.855    249.491   31.551    311.958   51.160    42.854  2.7635  47.575  4.0534  -4.721218      4.905827 
1 1 1 -22 -11 6  f 117.633 3.2302  1862.51   96.265    1778.85   117.225   2035.76   168.694   114.137 3.8345  121.129 5.1995  -6.992149      6.460491 
1 1 1 -22 -11 7  o 56.066  2.7678  425.214   41.564    425.214   41.564    0.0000    0.0000    56.066  2.7678  ?       ?       ?              ?        
1 1 1 -22 -11 8  o 14.664  3.0715  33.647    13.540    42.800    15.146    -2.7699   30.213    17.466  3.3597  11.862  5.1428  5.603927       6.142951 
1 1 1 -22 -11 9  o 96.648  2.4020  1269.71   62.180    1267.12   88.194    1272.27   87.681    96.545  3.4105  96.752  3.3834  -0.2073441     4.804085 
1 1 1 -22 -11 10 o 82.697  2.2357  927.987   49.508    909.038   70.290    946.644   69.744    81.844  3.2064  83.550  3.1165  -1.706100      4.471406 
1 1 1 -22 -11 11 o 49.700  1.9288  334.935   25.519    370.082   36.360    300.811   35.826    52.339  2.5936  47.061  2.8557  5.278694       3.857651 
1 1 1 -22 -11 12 o 53.459  1.9511  387.056   27.865    406.094   39.673    368.522   39.145    54.805  2.7027  52.114  2.8148  2.691036       3.902259 
1 1 1 -22 -11 13 o 33.282  1.9512  150.834   17.237    151.467   24.521    150.216   24.234    33.350  2.7702  33.215  2.7487  0.1347771      3.902468 
1 1 1 -22 -11 14 o 33.472  1.9777  152.656   17.563    152.466   25.157    152.837   24.530    33.444  2.8351  33.501  2.7583  -0.5636978E-01 3.955468 
1 1 1 -22 -11 15 o 85.420  2.2758  991.271   52.061    979.201   73.960    1003.13   73.296    84.892  3.2527  85.949  3.1838  -1.056671      4.551558 
1 1 1 -22 -11 16 o 78.915  2.1960  845.466   46.413    839.096   65.916    851.730   65.363    78.612  3.1305  79.219  3.0805  -0.6067429     4.391946 
1 1 1 -22 -11 17 o 56.721  1.9667  435.741   29.877    435.718   42.506    435.765   42.004    56.716  2.7981  56.727  2.7645  -0.1069641E-01 3.933400 
1 1 1 -22 -11 18 o 29.709  2.0908  120.925   16.413    119.380   23.346    122.434   23.078    29.511  2.9951  29.907  2.9181  -0.3958874     4.181612 
1 1 1 -22 -11 19 o 24.229  2.3546  81.886    14.453    105.868   20.955    60.125    19.961    27.797  2.8551  20.661  3.7449  7.136026       4.709167 
1 1 1 -22 -11 20 o 58.296  2.0389  461.879   31.771    478.434   45.271    445.812   44.598    59.371  2.8468  57.221  2.9196  2.150494       4.077757 
1 1 1 -22 -11 21 o 91.508  2.3751  1143.69   58.213    1132.06   82.315    1155.33   82.336    91.033  3.3759  91.982  3.3419  -0.9489441     4.750296 
1 1 1 -22 -11 22 o 62.781  2.0939  536.791   35.191    522.369   50.085    550.854   49.457    61.927  3.0195  63.634  2.9017  -1.706932      4.187724 
1 1 1 -22 -11 23 o 19.778  2.6947  58.440    13.909    23.752    19.564    93.895    19.780    13.443  4.5582  26.112  2.8757  -12.66966      5.389489 
1 1 1 -22 -11 24 o 31.197  2.2533  134.419   18.540    143.188   26.550    126.074   25.900    32.220  3.1153  30.174  3.2563  2.046114       4.506526 
1 1 1 -22 -11 25 f 10.918  2.9745  11.136    12.491    16.382    17.243    5.3415    18.121    11.739  4.2555  10.098  4.1569  1.640476       5.948904 
1 1 1 -22 -11 26 o 19.623  3.1025  56.221    15.977    67.071    22.695    45.559    22.497    21.609  4.0705  17.638  4.6834  3.971298       6.205093 
1 1 1 -22 -11 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -11 28 o 14.157  2.5048  13.915    14.227    -32.9451  19.622    65.850    20.657    6.8694  3.3421  21.445  3.7318  -14.57604      5.009567 
1 1 1 -22 -11 29 o 17.886  3.3107  47.625    16.087    42.835    22.512    52.623    22.996    16.969  4.7599  18.804  4.6028  -1.835735      6.621395 
1 1 1 -22 -11 30 o 32.147  2.5993  147.055   21.970    145.956   31.437    148.103   30.715    31.997  3.7386  32.298  3.6123  -0.3007450     5.198698 
1 1 1 -22 -11 31 o 19.567  3.4775  58.585    18.310    66.558    25.717    50.389    26.075    21.004  4.6898  18.130  5.1358  2.874607       6.954924 
1 1 1 -22 -11 32 o 22.319  3.3576  77.220    19.595    98.870    27.317    54.270    28.125    25.986  4.0573  18.653  5.3509  7.332977       6.715195 
1 1 1 -22 -11 33 o 17.236  3.0991  42.576    13.244    51.060    25.120    39.310    15.586    18.143  5.0060  16.330  3.6546  1.812849       6.198129 
1 1 1 -22 -11 34 o 22.877  2.9981  80.032    16.208    73.037    29.352    83.101    19.440    21.580  5.1497  24.174  3.0717  -2.594395      5.996265 
1 1 1 -22 -11 35 o 22.174  3.1549  77.362    16.858    66.572    29.967    82.357    20.391    20.396  5.4003  23.951  3.2635  -3.554157      6.309808 
1 1 1 -22 -11 36 o 45.069  2.6700  277.252   28.262    337.539   56.499    257.133   32.639    47.394  4.5049  42.744  2.8674  4.650135       5.340051 
1 1 1 -22 -11 37 o 29.528  4.6303  134.331   35.418    134.331   35.418    0.0000    0.0000    29.528  4.6303  ?       ?       ?              ?        
1 1 1 -22 -11 38 f 25.319  2.8710  86.976    17.816    137.524   32.029    64.327    21.439    30.144  4.0710  20.493  4.0494  9.651049       5.741992 
1 1 1 -22 -11 39 o 37.563  2.6192  210.307   24.512    214.958   42.035    207.910   30.174    37.195  4.2984  37.932  2.9942  -0.7365685     5.238469 
1 1 1 -22 -10 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -10 2  o 53.398  3.6197  390.293   51.466    0.0000    0.0000    390.293   51.466    ?       ?       53.398  3.6197  ?              ?        
1 1 1 -22 -10 3  f 73.558  2.7392  741.662   48.855    736.562   90.056    743.788   58.157    73.008  4.6292  74.108  2.9299  -1.099762      5.478454 
1 1 1 -22 -10 4  o 85.429  2.2131  990.549   50.563    927.097   71.458    1054.17   71.556    82.653  3.2278  88.206  3.0287  -5.552063      4.426250 
1 1 1 -22 -10 5  o 76.430  2.1164  791.100   43.325    785.106   61.283    797.089   61.259    76.137  3.0051  76.723  2.9810  -0.5856857     4.232794 
1 1 1 -22 -10 6  o 70.169  2.0506  666.213   38.539    671.496   54.545    660.948   54.459    70.449  2.8906  69.889  2.9092  0.5601044      4.101152 
1 1 1 -22 -10 7  o 27.027  2.0120  99.970    14.312    106.902   20.232    93.025    20.250    27.997  2.7328  26.056  2.9537  1.940454       4.023981 
1 1 1 -22 -10 8  o 64.477  2.0129  562.242   34.759    556.330   49.314    568.080   49.002    64.135  2.8707  64.819  2.8224  -0.6843567     4.025771 
1 1 1 -22 -10 9  o 82.888  2.2408  932.073   49.693    886.159   70.536    977.316   70.020    80.832  3.2579  84.945  3.0775  -4.113205      4.481633 
1 1 1 -22 -10 10 o 32.451  2.6669  151.998   20.092    129.663   36.635    161.607   24.028    30.404  4.6461  34.499  2.6199  -4.095207      5.333899 
1 1 1 -22 -10 11 o 54.230  3.7003  402.127   53.427    0.0000    0.0000    402.127   53.427    ?       ?       54.230  3.7003  ?              ?        
1 1 1 -22 -10 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -10 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -10 14 o 48.740  1.8959  321.848   24.641    336.826   35.198    307.452   34.508    49.862  2.6449  47.617  2.7169  2.245350       3.791710 
1 1 1 -22 -10 15 o 42.433  1.9366  245.517   21.772    219.241   31.021    271.026   30.565    40.141  2.9048  44.725  2.5621  -4.584141      3.873296 
1 1 1 -22 -10 16 o 24.061  2.1942  80.505    13.631    68.659    19.555    91.700    19.010    22.231  3.3915  25.890  2.7851  -3.658457      4.388491 
1 1 1 -22 -10 17 o 66.171  2.0323  593.167   36.009    578.260   51.040    607.940   50.810    65.332  2.9167  67.010  2.8309  -1.677948      4.064602 
1 1 1 -22 -10 18 o 10.978  2.7373  14.525    10.016    15.286    14.392    13.809    13.947    11.170  3.9047  10.787  3.8373  0.3834782      5.474672 
1 1 1 -22 -10 19 o 36.528  1.9843  182.240   19.209    173.708   27.777    190.058   26.592    35.673  2.9331  37.382  2.6734  -1.709244      3.968640 
1 1 1 -22 -10 20 o 22.491  2.5227  71.885    14.113    101.152   20.460    45.322    19.492    27.168  2.8543  17.815  4.1603  9.353170       5.045299 
1 1 1 -22 -10 21 o 41.405  2.0161  234.195   22.170    222.895   31.890    244.765   30.844    40.402  2.9676  42.408  2.7299  -2.006466      4.032258 
1 1 1 -22 -10 22 o 11.053  2.8646  13.540    11.208    9.5236    16.103    17.313    15.609    10.363  4.0336  11.742  4.0687  -1.378803      5.729226 
1 1 1 -22 -10 23 f 12.590  2.9956  20.286    12.214    26.911    17.171    13.500    17.378    13.890  4.2329  11.290  4.2401  2.599756       5.991257 
1 1 1 -22 -10 24 o 31.047  2.2645  133.572   18.461    120.863   26.338    145.847   25.884    29.519  3.3927  32.575  3.0003  -3.055252      4.529099 
1 1 1 -22 -10 25 o 14.008  3.0659  27.139    12.909    34.196    18.278    20.114    18.236    15.430  4.2752  12.587  4.3956  2.842436       6.131746 
1 1 1 -22 -10 26 o 50.027  2.1510  343.819   28.686    344.134   40.736    343.509   40.401    50.045  3.0536  50.009  3.0304  0.3602600E-01  4.302094 
1 1 1 -22 -10 27 o 28.357  3.5998  112.954   26.726    0.0000    0.0000    112.954   26.726    ?       ?       28.357  3.5998  ?              ?        
1 1 1 -22 -10 28 o 55.943  3.2393  433.272   48.331    433.272   48.331    0.0000    0.0000    55.943  3.2393  ?       ?       ?              ?        
1 1 1 -22 -10 29 o 29.337  2.7789  123.730   20.956    144.768   29.557    102.465   29.716    32.084  3.4960  26.590  4.3206  5.493706       5.557881 
1 1 1 -22 -10 30 o 33.581  2.6478  160.953   23.129    136.038   32.589    186.238   32.831    30.760  4.0542  36.401  3.4069  -5.641031      5.295581 
1 1 1 -22 -10 31 f 34.737  2.2531  165.085   20.071    186.473   33.545    153.158   25.049    36.299  3.4934  33.176  2.8465  3.123322       4.506255 
1 1 1 -22 -10 32 o 15.445  3.0693  36.697    13.056    28.796    22.781    40.562    15.933    14.262  4.9167  16.628  3.6752  -2.365938      6.138519 
1 1 1 -22 -10 33 o 31.767  2.6076  151.255   19.801    127.433   33.965    163.519   24.371    29.258  4.4764  34.276  2.6757  -5.018265      5.215162 
1 1 1 -22 -10 34 o 29.085  2.7582  126.924   19.527    111.437   32.581    135.605   24.393    27.151  4.6472  31.019  2.9723  -3.868181      5.516422 
1 1 1 -22 -10 35 o 12.520  3.0370  22.621    12.624    8.0892    23.311    28.650    15.016    11.175  4.6674  13.864  3.8870  -2.688479      6.073962 
1 1 1 -22 -10 36 o 12.968  3.2928  23.034    13.851    21.764    25.359    23.574    16.535    13.196  5.0824  12.740  4.1880  0.4559107      6.585547 
1 1 1 -22 -10 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -10 38 f 21.825  3.1374  65.780    16.755    103.671   30.771    49.813    19.975    25.744  4.6330  17.906  4.2318  7.837383       6.274771 
1 1 1 -22 -10 39 o 10.022  3.0086  6.5530    13.562    -2.8889   25.134    10.431    16.108    10.032  4.5025  10.011  3.9917  0.2096272E-01  6.017143 
1 1 1 -22 -9  1  o 39.538  1.8494  212.077   19.471    211.378   27.261    212.805   27.820    39.475  2.5927  39.600  2.6379  -0.1246643     3.698744 
1 1 1 -22 -9  2  o 27.491  1.9678  103.419   14.071    83.217    19.504    125.346   20.320    24.610  3.0223  30.372  2.5206  -5.761528      3.935503 
1 1 1 -22 -9  3  o 65.794  1.9873  585.285   35.018    592.037   49.365    578.447   49.683    66.181  2.7848  65.406  2.8359  0.7751541      3.974617 
1 1 1 -22 -9  4  o 16.352  2.4246  37.807    10.285    42.904    14.432    32.546    14.661    17.531  3.1910  15.173  3.6515  2.357912       4.849300 
1 1 1 -22 -9  5  o 67.186  2.0227  610.171   36.400    612.270   51.366    608.054   51.589    67.305  2.8493  67.068  2.8718  0.2369766      4.045465 
1 1 1 -22 -9  6  o 19.302  2.2005  51.647    10.987    53.461    15.719    49.915    15.363    19.646  3.0892  18.959  3.1347  0.6861687      4.401094 
1 1 1 -22 -9  7  o 21.248  2.1351  62.217    11.805    64.140    16.930    60.398    16.470    21.575  3.0119  20.921  3.0270  0.6535664      4.270167 
1 1 1 -22 -9  8  o 34.460  1.9039  161.449   17.406    152.579   24.735    170.150   24.497    33.499  2.7818  35.420  2.6003  -1.920559      3.807894 
1 1 1 -22 -9  9  o 15.971  2.3888  36.052    10.025    50.809    14.481    22.471    13.892    19.178  2.9103  12.763  3.7890  6.415458       4.777689 
1 1 1 -22 -9  10 o 23.139  2.0730  73.411    12.469    84.471    18.048    63.309    17.248    24.862  2.7565  21.416  3.0968  3.446878       4.145946 
1 1 1 -22 -9  11 o 28.474  1.9983  111.481   14.869    95.364    21.246    126.953   20.816    26.376  3.0644  30.572  2.5657  -4.196133      3.996687 
1 1 1 -22 -9  12 o 35.262  1.9071  168.753   17.834    184.114   25.588    154.242   24.870    36.846  2.6096  33.679  2.7819  3.167915       3.814249 
1 1 1 -22 -9  13 o 70.563  2.0574  673.230   38.882    684.773   55.306    661.948   54.676    71.163  2.9015  69.963  2.9177  1.199799       4.114835 
1 1 1 -22 -9  14 o 65.929  3.7546  593.614   66.028    0.0000    0.0000    593.614   66.028    ?       ?       65.929  3.7546  ?              ?        
1 1 1 -22 -9  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -9  16 o 75.892  2.7952  788.389   51.515    789.287   61.356    786.244   94.837    76.341  3.0006  75.443  4.7169  0.8973083      5.590399 
1 1 1 -22 -9  17 o 9.1839  2.4063  5.6521    8.7260    17.064    12.531    -5.0911   12.158    11.326  3.6403  7.0419  3.1480  4.284029       4.812676 
1 1 1 -22 -9  18 o 38.174  1.9463  198.357   19.740    191.945   28.332    204.407   27.519    37.553  2.8377  38.795  2.6645  -1.242168      3.892554 
1 1 1 -22 -9  19 o 40.903  1.9481  227.342   21.207    229.915   30.547    224.949   29.465    41.119  2.7900  40.686  2.7195  0.4330826      3.896104 
1 1 1 -22 -9  20 o 58.195  2.0206  459.057   31.491    454.435   44.833    463.558   44.241    57.898  2.8910  58.493  2.8238  -0.5945702     4.041286 
1 1 1 -22 -9  21 o 23.333  2.3419  75.544    14.222    75.453    20.290    75.631    19.940    23.310  3.3456  23.355  3.2779  -0.4429436E-01 4.683762 
1 1 1 -22 -9  22 o 16.224  2.9027  37.614    13.168    22.345    18.660    52.762    18.586    13.127  4.4516  19.321  3.7264  -6.194493      5.805435 
1 1 1 -22 -9  23 o 63.445  2.1145  547.535   35.926    562.858   51.071    532.525   50.547    64.333  2.9638  62.558  3.0166  1.774651       4.228992 
1 1 1 -22 -9  24 o 41.994  2.0907  241.221   23.264    270.401   33.396    213.714   32.425    44.514  2.8155  39.475  3.0914  5.038948       4.181313 
1 1 1 -22 -9  25 o 117.251 2.8507  1903.19   89.525    1879.46   126.089   1927.31   127.133   116.506 4.0406  117.997 4.0225  -1.491081      5.701490 
1 1 1 -22 -9  26 o 35.704  2.3808  176.716   22.467    172.632   32.370    180.512   31.207    35.266  3.4719  36.143  3.2587  -0.8766327     4.761674 
1 1 1 -22 -9  27 f 26.609  2.7333  100.942   18.556    79.598    26.049    122.932   26.440    23.520  4.2931  29.698  3.3843  -6.178223      5.466646 
1 1 1 -22 -9  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -9  29 o 18.050  3.0214  47.504    13.738    47.789    24.051    47.366    16.737    17.932  4.8780  18.168  3.5667  -0.2357388     6.042872 
1 1 1 -22 -9  30 o 27.132  2.4503  105.980   16.329    97.665    27.485    110.515   20.300    26.013  4.0789  28.250  2.7163  -2.237345      4.900535 
1 1 1 -22 -9  31 o 25.493  2.6925  98.559    16.305    78.260    27.521    109.536   20.239    22.906  4.6446  28.081  2.7252  -5.174723      5.385074 
1 1 1 -22 -9  32 o 13.100  3.0813  22.584    11.765    29.382    21.829    19.801    13.968    14.323  4.8150  11.878  3.8461  2.444864       6.162514 
1 1 1 -22 -9  33 o 34.053  2.3332  162.435   20.129    171.329   33.928    157.603   25.005    34.511  3.7296  33.594  2.8046  0.9172783      4.666462 
1 1 1 -22 -9  34 o 29.267  2.7477  130.704   19.236    105.775   32.142    144.614   24.010    26.407  4.7173  32.126  2.8187  -5.719036      5.495335 
1 1 1 -22 -9  35 o 37.287  2.3516  191.939   22.544    224.275   37.684    173.917   28.133    39.475  3.6038  35.098  3.0220  4.377140       4.703152 
1 1 1 -22 -9  36 o 15.009  3.1328  35.567    13.315    25.540    24.413    39.814    15.886    13.671  5.0468  16.346  3.7130  -2.675299      6.265523 
1 1 1 -22 -9  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -9  38 o 29.423  2.7714  119.011   20.167    164.468   36.427    98.919    24.218    32.947  4.2250  25.898  3.5876  7.049900       5.542739 
1 1 1 -22 -9  39 o 16.546  3.4325  39.784    15.320    62.383    27.980    30.108    18.308    19.226  5.2743  13.866  4.3942  5.360768       6.864964 
1 1 1 -22 -8  1  o 50.409  1.8535  343.884   24.934    334.076   35.045    353.938   35.482    49.675  2.6434  51.143  2.5987  -1.468479      3.706912 
1 1 1 -22 -8  2  o 66.385  1.9674  595.314   34.982    597.572   49.398    593.042   49.547    66.513  2.7727  66.257  2.7919  0.2564621      3.934827 
1 1 1 -22 -8  3  o 31.214  1.8435  132.174   15.248    122.713   21.198    142.319   21.950    30.041  2.6621  32.387  2.5509  -2.346619      3.687001 
1 1 1 -22 -8  4  o 36.501  1.8149  180.401   17.616    170.686   24.593    190.639   25.246    35.481  2.6060  37.521  2.5268  -2.039989      3.629818 
1 1 1 -22 -8  5  o 111.199 2.5748  1678.34   76.689    1682.77   108.875   1673.98   108.038   111.341 3.6508  111.058 3.6319  0.2831955      5.149666 
1 1 1 -22 -8  6  o 77.669  2.1281  815.332   44.265    806.338   62.940    824.134   62.267    77.238  3.0424  78.101  2.9765  -0.8629913     4.256269 
1 1 1 -22 -8  7  o 23.755  2.0038  77.201    12.496    78.815    17.861    75.653    17.488    24.002  2.8329  23.509  2.8345  0.4931469      4.007514 
1 1 1 -22 -8  8  o 33.061  1.8509  148.237   16.244    155.868   23.172    140.863   22.778    33.910  2.5703  32.212  2.6640  1.698246       3.701792 
1 1 1 -22 -8  9  o 77.956  2.1475  820.973   44.830    847.986   64.025    794.991   62.791    79.218  3.0174  76.694  3.0566  2.524208       4.295082 
1 1 1 -22 -8  10 o 47.111  1.8817  300.244   23.641    301.233   33.867    299.305   33.015    47.182  2.6910  47.041  2.6309  0.1409760      3.763385 
1 1 1 -22 -8  11 f 53.716  1.8978  389.505   27.249    403.518   39.020    376.166   38.070    54.696  2.6635  52.736  2.7043  1.959633       3.795669 
1 1 1 -22 -8  12 o 57.093  1.9230  439.862   29.405    440.730   41.888    439.019   41.287    57.146  2.7366  57.040  2.7023  0.1056404      3.846010 
1 1 1 -22 -8  13 o 41.228  1.8491  230.141   20.311    232.647   29.012    227.732   28.444    41.446  2.6270  41.009  2.6030  0.4376755      3.698188 
1 1 1 -22 -8  14 o 31.970  1.9136  139.825   16.092    121.526   22.949    157.526   22.571    29.848  2.9074  34.092  2.4890  -4.243561      3.827254 
1 1 1 -22 -8  15 o 36.268  1.8729  178.729   18.041    170.055   25.725    187.126   25.309    35.381  2.7358  37.156  2.5587  -1.774982      3.745850 
1 1 1 -22 -8  16 o 38.517  3.2501  202.531   33.217    0.0000    0.0000    202.531   33.217    ?       ?       38.517  3.2501  ?              ?        
1 1 1 -22 -8  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -8  18 o 22.556  2.2666  70.534    13.265    67.095    19.179    73.687    18.367    21.983  3.3644  23.129  3.0382  -1.146738      4.533190 
1 1 1 -22 -8  19 o 25.394  2.2423  88.821    14.883    96.182    21.266    81.756    20.835    26.465  3.0563  24.323  3.2819  2.141912       4.484586 
1 1 1 -22 -8  20 o 61.156  2.0463  506.833   33.514    501.904   47.694    511.641   47.103    60.855  2.9261  61.458  2.8614  -0.6033592     4.092619 
1 1 1 -22 -8  21 o 39.487  2.0342  212.712   21.332    206.599   30.756    218.378   29.612    38.914  2.9733  40.061  2.7768  -1.146214      4.068318 
1 1 1 -22 -8  22 o 18.126  2.8165  46.801    13.295    45.803    19.138    47.731    18.483    17.919  4.0789  18.333  3.8849  -0.4137230     5.632930 
1 1 1 -22 -8  23 o 37.012  2.1167  186.844   20.752    205.757   30.173    169.867   28.587    38.813  2.9238  35.211  3.0616  3.601982       4.233433 
1 1 1 -22 -8  24 o 66.900  2.1949  609.842   39.327    612.507   56.109    607.270   55.136    67.036  3.1249  66.765  3.0832  0.2717896      4.389879 
1 1 1 -22 -8  25 o 73.672  2.3034  742.307   45.438    721.345   64.308    763.206   64.211    72.610  3.3066  74.734  3.2078  -2.123756      4.606899 
1 1 1 -22 -8  26 o 47.796  2.2473  313.854   28.583    330.881   40.795    297.435   40.061    49.097  3.1184  46.495  3.2370  2.601536       4.494692 
1 1 1 -22 -8  27 o 42.107  2.0823  246.648   22.454    230.942   36.391    256.303   28.533    40.851  3.3555  43.364  2.4668  -2.513020      4.164680 
1 1 1 -22 -8  28 o 29.021  2.2532  109.371   16.619    153.063   28.160    86.018    20.587    33.214  3.2052  24.829  3.1678  8.384323       4.506455 
1 1 1 -22 -8  29 o 27.613  4.1122  109.186   29.486    109.186   29.486    0.0000    0.0000    27.613  4.1122  ?       ?       ?              ?        
1 1 1 -22 -8  30 o 6.2583  2.1091  -14.3390  8.9839    -19.1174  16.277    -12.2455  10.774    6.8593  3.2595  5.6573  2.6776  1.202016       4.218262 
1 1 1 -22 -8  31 o 15.103  3.0824  34.189    12.921    28.521    22.413    37.011    15.814    14.295  4.8786  15.910  3.7688  -1.615420      6.164782 
1 1 1 -22 -8  32 o 16.569  3.0800  39.637    13.257    45.908    23.036    36.532    16.211    17.401  4.7908  15.737  3.8722  1.664047       6.160053 
1 1 1 -22 -8  33 o 44.363  2.2649  278.964   25.894    268.788   41.558    285.422   33.105    43.406  3.6072  45.321  2.7400  -1.914497      4.529834 
1 1 1 -22 -8  34 o 17.534  3.2190  48.216    15.047    40.232    25.330    52.570    18.704    16.210  5.1720  18.858  3.8337  -2.647871      6.437931 
1 1 1 -22 -8  35 o 17.541  3.1006  52.295    15.399    22.581    26.530    67.392    18.910    13.495  5.1981  21.587  3.3815  -8.091946      6.201223 
1 1 1 -22 -8  36 o 14.830  3.3051  33.965    14.377    26.725    26.134    37.107    17.216    13.995  5.2107  15.664  4.0674  -1.668287      6.610255 
1 1 1 -22 -8  37 o 20.795  3.7860  64.317    20.311    0.0000    0.0000    64.317    20.311    ?       ?       20.795  3.7860  ?              ?        
1 1 1 -22 -8  38 o 11.185  2.8223  14.967    12.830    -18.3851  23.674    28.836    15.266    8.6073  4.0414  13.763  3.9405  -5.156021      5.644502 
1 1 1 -22 -8  39 o 25.962  3.3857  122.351   20.496    70.261    35.491    148.415   25.105    19.793  6.0951  32.130  2.9500  -12.33724      6.771451 
1 1 1 -22 -7  1  o 33.683  1.7834  154.061   15.941    160.840   22.234    146.891   22.868    34.466  2.4238  32.900  2.6167  1.566875       3.566827 
1 1 1 -22 -7  2  o 23.943  1.9291  78.334    12.146    78.769    16.988    77.879    17.374    24.020  2.6865  23.867  2.7692  0.1523590      3.858148 
1 1 1 -22 -7  3  o 77.183  2.0679  804.361   42.749    795.453   60.457    813.269   60.455    76.752  2.9408  77.613  2.9081  -0.8618164     4.135861 
1 1 1 -22 -7  4  o 43.476  1.8269  255.543   21.174    248.753   29.751    262.512   30.143    42.886  2.6023  44.066  2.5649  -1.180092      3.653868 
1 1 1 -22 -7  5  o 122.191 2.7254  2026.27   89.195    2044.94   126.832   2008.00   125.462   122.746 3.8577  121.635 3.8509  1.110878       5.450829 
1 1 1 -22 -7  6  f 84.309  2.2048  960.496   49.768    945.335   71.071    975.084   69.715    83.643  3.1723  84.974  3.0630  -1.331390      4.409701 
1 1 1 -22 -7  7  o 68.452  2.0310  632.934   37.188    605.721   53.166    659.000   52.034    66.994  2.9629  69.910  2.7788  -2.916527      4.062083 
1 1 1 -22 -7  8  o 45.638  1.8669  281.198   22.684    304.935   32.685    259.141   31.507    47.510  2.5781  43.766  2.7009  3.743229       3.733837 
1 1 1 -22 -7  9  o 88.543  2.2678  1059.14   53.774    1086.85   76.801    1032.50   75.315    89.681  3.1973  87.405  3.2170  2.275749       4.535624 
1 1 1 -22 -7  10 o 75.902  2.1139  777.755   42.972    776.845   61.209    778.640   60.343    75.854  3.0126  75.951  2.9662  -0.9693909E-01 4.227835 
1 1 1 -22 -7  11 o 46.709  1.8695  295.616   23.237    276.439   33.162    314.116   32.570    45.194  2.7526  48.224  2.5304  -3.029480      3.738923 
1 1 1 -22 -7  12 o 90.996  2.2850  1119.82   55.688    1136.02   78.904    1103.76   78.607    91.656  3.2140  90.336  3.2487  1.320114       4.569909 
1 1 1 -22 -7  13 o 47.629  1.8454  306.665   23.451    311.877   33.433    301.617   32.902    48.029  2.6086  47.230  2.6110  0.7992439      3.690860 
1 1 1 -22 -7  14 o 51.175  1.8814  353.711   25.720    371.138   36.623    336.753   36.128    52.463  2.6063  49.887  2.7140  2.575798       3.762746 
1 1 1 -22 -7  15 o 58.062  1.9157  454.957   29.776    475.799   42.391    434.657   41.835    59.382  2.6652  56.743  2.7526  2.639507       3.831447 
1 1 1 -22 -7  16 o 35.863  1.9065  174.994   18.133    165.811   26.070    183.599   25.237    34.924  2.8108  36.802  2.5764  -1.878559      3.812936 
1 1 1 -22 -7  17 o 23.999  2.1566  80.041    13.366    70.303    19.556    88.578    18.311    22.531  3.3418  25.466  2.7269  -2.935020      4.313163 
1 1 1 -22 -7  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -7  19 o 16.660  2.6666  39.320    11.635    42.873    16.529    35.831    16.381    17.428  3.6576  15.893  3.8814  1.534618       5.333236 
1 1 1 -22 -7  20 o 87.099  2.3251  1030.82   54.242    1039.75   76.736    1021.91   76.685    87.481  3.2749  86.717  3.3015  0.7638474      4.650288 
1 1 1 -22 -7  21 o 49.485  2.0027  333.034   26.404    324.471   37.905    341.106   36.803    48.845  2.9105  50.125  2.7517  -1.280712      4.005331 
1 1 1 -22 -7  22 o 82.807  2.3083  933.081   51.192    951.542   72.660    914.884   72.137    83.629  3.2438  81.986  3.2850  1.643143       4.616595 
1 1 1 -22 -7  23 o 39.326  2.1454  211.361   22.421    215.866   31.903    206.965   31.517    39.746  3.0193  38.906  3.0488  0.8402710      4.290833 
1 1 1 -22 -7  24 o 55.720  2.1653  424.182   32.158    412.934   46.113    434.833   44.870    54.969  3.1450  56.471  2.9771  -1.501095      4.330544 
1 1 1 -22 -7  25 o 51.663  1.9904  362.322   27.020    369.592   42.367    357.337   35.079    51.988  3.0560  51.338  2.5511  0.6499557      3.980868 
1 1 1 -22 -7  26 o 89.884  2.3421  1104.98   56.095    1125.00   84.009    1088.87   75.355    90.522  3.4648  89.245  3.1524  1.277107       4.684292 
1 1 1 -22 -7  27 o 16.437  2.8195  39.945    11.909    34.124    20.480    42.919    14.639    15.450  4.6037  17.425  3.2562  -1.975304      5.638911 
1 1 1 -22 -7  28 o 28.214  2.2925  108.688   16.483    119.339   27.336    102.604   20.661    29.179  3.5722  27.249  2.8742  1.930309       4.584990 
1 1 1 -22 -7  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -7  30 o 51.391  2.0958  358.136   28.314    404.134   44.846    327.647   36.511    54.012  3.1131  48.770  2.8069  5.241604       4.191619 
1 1 1 -22 -7  31 o 19.587  3.0062  61.320    14.966    39.519    24.989    73.514    18.688    16.340  5.1281  22.834  3.1386  -6.494572      6.012327 
1 1 1 -22 -7  32 o 24.022  2.7191  80.900    16.236    93.280    27.770    74.471    20.013    25.198  4.2669  22.847  3.3717  2.351135       5.438263 
1 1 1 -22 -7  33 o 13.526  3.1459  25.501    12.614    28.787    22.056    23.904    15.377    14.190  4.8397  12.862  4.0205  1.328058       6.291799 
1 1 1 -22 -7  34 o 32.217  2.3775  141.190   19.629    177.743   32.943    121.068   24.442    35.224  3.5396  29.210  3.1752  6.014526       4.755044 
1 1 1 -22 -7  35 o 22.939  3.0955  87.716    17.135    54.538    28.743    106.005   21.341    18.497  5.4394  27.382  2.9568  -8.884153      6.191080 
1 1 1 -22 -7  36 o 22.951  2.9584  68.932    16.720    123.920   29.829    43.736    20.191    29.019  3.9395  16.884  4.4147  12.13421       5.916893 
1 1 1 -22 -7  37 o 18.686  3.6253  55.701    17.220    53.751    34.743    56.337    19.826    18.022  6.0745  19.350  3.9588  -1.327938      7.250575 
1 1 1 -22 -7  38 o 7.4549  2.4893  -14.9871  12.435    -32.4901  23.304    -8.0194   14.704    7.6285  3.6951  7.2813  3.3364  0.3471746      4.978506 
1 1 1 -22 -7  39 o 34.338  2.7075  165.731   23.303    215.398   41.332    142.587   28.214    37.552  4.1801  31.123  3.4422  6.429783       5.415015 
1 1 1 -22 -6  1  o 25.107  1.8801  85.685    12.413    77.480    17.127    94.762    18.015    23.818  2.7343  26.396  2.5811  -2.577881      3.760120 
1 1 1 -22 -6  2  o 71.456  1.9995  688.627   38.268    690.921   54.079    686.327   54.161    71.576  2.8208  71.336  2.8346  0.2407761      3.998960 
1 1 1 -22 -6  3  o 86.576  2.2042  1012.79   51.063    961.395   72.267    1064.04   72.160    84.362  3.1982  88.790  3.0342  -4.427338      4.408486 
1 1 1 -22 -6  4  o 144.417 3.0875  2837.23   119.415   2806.19   169.566   2867.76   168.199   143.612 4.4082  145.222 4.3242  -1.610245      6.174969 
1 1 1 -22 -6  5  o 117.439 2.6613  1869.82   83.632    1794.53   119.101   1943.06   117.464   115.069 3.8642  119.810 3.6604  -4.740082      5.322648 
1 1 1 -22 -6  6  o 119.799 2.7184  1945.81   87.168    1891.35   124.350   1998.42   122.225   118.119 3.9304  121.480 3.7564  -3.360725      5.436750 
1 1 1 -22 -6  7  o 62.378  1.9548  523.778   32.647    542.449   46.974    506.335   45.404    63.453  2.7639  61.304  2.7652  2.148769       3.909637 
1 1 1 -22 -6  8  o 43.372  1.8482  253.869   21.357    265.951   30.817    242.704   29.625    44.369  2.6046  42.376  2.6230  1.993118       3.696443 
1 1 1 -22 -6  9  o 89.738  2.2965  1088.39   55.153    1047.85   78.494    1127.92   77.511    88.067  3.3276  91.408  3.1659  -3.340950      4.593012 
1 1 1 -22 -6  10 o 38.959  1.8346  205.204   19.030    211.522   27.165    199.116   26.667    39.553  2.5782  38.365  2.6106  1.187141       3.669140 
1 1 1 -22 -6  11 o 64.779  1.9569  565.540   33.952    574.503   48.206    556.718   47.827    65.290  2.7566  64.268  2.7784  1.021744       3.913830 
1 1 1 -22 -6  12 o 108.638 2.5421  1598.25   73.966    1577.86   104.587   1618.66   104.620   107.937 3.6176  109.339 3.5723  -1.401772      5.084149 
1 1 1 -22 -6  13 o 89.464  2.2612  1081.75   54.185    1087.05   76.634    1076.44   76.625    89.686  3.1901  89.243  3.2056  0.4425507      4.522451 
1 1 1 -22 -6  14 o 48.871  1.8640  322.922   24.304    320.350   34.682    325.405   34.069    48.674  2.6705  49.069  2.6014  -0.3956261     3.728097 
1 1 1 -22 -6  15 o 19.313  2.3491  53.096    11.492    39.665    16.587    65.497    15.938    16.767  3.7833  21.859  2.7855  -5.091808      4.698161 
1 1 1 -22 -6  16 o 55.767  1.9116  420.081   28.479    444.513   40.661    396.557   39.900    57.403  2.6446  54.131  2.7611  3.271076       3.823273 
1 1 1 -22 -6  17 o 27.326  2.0352  101.900   14.664    105.723   21.147    98.358    20.352    27.825  2.8792  26.828  2.8771  0.9964943      4.070308 
1 1 1 -22 -6  18 o 31.855  1.9944  138.124   16.835    141.722   24.188    134.742   23.448    32.259  2.8278  31.452  2.8130  0.8077087      3.988726 
1 1 1 -22 -6  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -6  20 f 46.660  1.9661  295.462   24.453    298.862   35.092    292.254   34.092    46.916  2.8054  46.404  2.7552  0.5120850      3.932099 
1 1 1 -22 -6  21 o 98.788  2.5146  1329.91   66.534    1345.83   94.135    1314.01   94.052    99.389  3.5361  98.188  3.5762  1.201035       5.029240 
1 1 1 -22 -6  22 o 73.297  2.1861  729.672   42.874    773.566   61.035    686.915   60.239    75.497  3.0183  71.097  3.1633  4.400215       4.372218 
1 1 1 -22 -6  23 o 85.183  2.2612  989.489   51.222    968.943   76.713    1006.02   68.808    84.297  3.3976  86.070  2.9847  -1.773094      4.522385 
1 1 1 -22 -6  24 o 11.478  2.5316  18.401    8.5114    12.653    15.213    21.021    10.269    10.757  3.9814  12.198  3.1282  -1.440709      5.063276 
1 1 1 -22 -6  25 o 76.454  2.1679  793.208   44.100    823.721   66.804    769.641   58.711    77.688  3.2104  75.219  2.9141  2.469490       4.335749 
1 1 1 -22 -6  26 o 71.924  2.1385  703.106   40.887    726.427   62.149    685.309   54.291    72.901  3.1828  70.947  2.8570  1.953751       4.276987 
1 1 1 -22 -6  27 o 39.349  2.1175  215.342   21.422    201.329   34.264    224.335   27.448    38.142  3.3892  40.557  2.5395  -2.415451      4.235030 
1 1 1 -22 -6  28 o 45.619  2.1962  296.018   25.537    246.212   40.121    329.939   33.111    42.057  3.5961  49.180  2.5220  -7.122581      4.392349 
1 1 1 -22 -6  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -6  30 o 38.702  2.2565  211.478   22.395    194.406   35.649    222.607   28.783    37.177  3.6261  40.228  2.6868  -3.050381      4.513033 
1 1 1 -22 -6  31 o 54.319  2.1398  403.772   30.641    444.214   47.914    375.789   39.856    56.500  3.1791  52.139  2.8649  4.360508       4.279527 
1 1 1 -22 -6  32 o 36.729  2.2341  185.324   21.212    206.183   34.746    172.931   26.783    38.206  3.4320  35.251  2.8613  2.955273       4.468247 
1 1 1 -22 -6  33 o 25.408  2.6165  91.188    16.625    101.031   28.081    85.877    20.628    26.233  4.1332  24.582  3.2096  1.650860       5.233042 
1 1 1 -22 -6  34 o 17.666  3.0785  50.621    14.298    34.283    25.185    58.392    17.369    15.216  5.1717  20.116  3.3409  -4.899999      6.156925 
1 1 1 -22 -6  35 o 14.731  3.3024  31.593    13.924    35.812    24.676    29.622    16.865    15.388  5.1188  14.074  4.1740  1.313418       6.604899 
1 1 1 -22 -6  36 o 19.681  3.1468  53.442    15.555    81.990    27.637    40.205    18.819    23.125  4.6234  16.237  4.2702  6.888426       6.293675 
1 1 1 -22 -6  37 f 15.953  3.4330  37.505    14.764    45.779    28.133    34.361    17.344    16.900  5.4569  15.006  4.1670  1.893666       6.865958 
1 1 1 -22 -6  38 o 15.979  5.3669  40.972    27.119    40.972    27.119    0.0000    0.0000    15.979  5.3669  ?       ?       ?              ?        
1 1 1 -22 -6  39 o 10.561  2.6959  10.751    12.710    -35.8929  24.505    27.918    14.866    7.6512  3.7253  13.470  3.8979  -5.819019      5.391772 
1 1 1 -22 -5  1  o 64.996  1.9409  569.209   33.787    561.066   47.606    577.474   47.960    64.527  2.7545  65.466  2.7351  -0.9395676     3.881739 
1 1 1 -22 -5  2  o 133.389 2.8826  2413.93   102.978   2376.43   145.867   2451.20   145.400   132.340 4.1151  134.438 4.0379  -2.098267      5.765254 
1 1 1 -22 -5  3  o 95.596  2.3313  1233.77   59.691    1245.01   84.818    1222.74   84.021    96.027  3.2976  95.165  3.2963  0.8621750      4.662586 
1 1 1 -22 -5  4  o 114.973 2.5906  1788.96   79.718    1728.77   113.564   1847.43   111.929   113.038 3.7508  116.908 3.5745  -3.869568      5.181265 
1 1 1 -22 -5  5  o 59.217  1.9378  473.120   30.671    450.024   44.083    494.792   42.701    57.801  2.8474  60.633  2.6293  -2.832558      3.875665 
1 1 1 -22 -5  6  f 65.487  2.0067  579.287   35.095    544.635   50.544    611.545   48.766    63.573  2.9683  67.401  2.7013  -3.827812      4.013389 
1 1 1 -22 -5  7  o 32.950  1.8744  148.508   16.218    128.281   23.426    167.127   22.476    30.727  2.8799  35.174  2.4000  -4.446684      3.748837 
1 1 1 -22 -5  8  o 68.723  2.0204  636.157   37.184    636.177   53.091    636.138   52.095    68.720  2.8843  68.725  2.8300  -0.5401611E-02 4.040848 
1 1 1 -22 -5  9  o 135.115 2.9457  2476.03   106.573   2407.21   150.823   2544.66   150.611   133.215 4.2269  137.016 4.1039  -3.800446      5.891441 
1 1 1 -22 -5  10 o 18.733  2.1788  48.594    10.481    57.095    15.085    40.661    14.572    20.395  2.8384  17.071  3.3063  3.323709       4.357536 
1 1 1 -22 -5  11 o 117.368 2.6733  1864.92   84.041    1855.72   118.759   1874.15   118.946   117.076 3.7871  117.661 3.7742  -0.5843353     5.346692 
1 1 1 -22 -5  12 o 96.961  2.3562  1270.18   61.191    1279.75   86.546    1260.63   86.528    97.329  3.3198  96.593  3.3444  0.7360840      4.712353 
1 1 1 -22 -5  13 o 15.847  2.3754  35.474    9.7764    29.800    14.023    40.840    13.637    14.554  3.6137  17.139  3.0840  -2.585091      4.750750 
1 1 1 -22 -5  14 o 53.615  1.9028  388.016   27.269    382.657   38.864    393.214   38.272    53.210  2.7362  54.020  2.6451  -0.8102341     3.805643 
1 1 1 -22 -5  15 o 88.343  2.2752  1055.28   53.834    1070.18   76.248    1040.48   76.018    88.970  3.1996  87.717  3.2355  1.252525       4.550388 
1 1 1 -22 -5  16 o 16.173  2.5197  37.253    10.685    28.373    15.303    45.702    14.926    14.224  3.8999  18.122  3.1916  -3.898190      5.039460 
1 1 1 -22 -5  17 o 61.282  2.0023  507.300   32.860    502.088   46.802    512.368   46.147    60.966  2.8661  61.599  2.7969  -0.6335640     4.004644 
1 1 1 -22 -5  18 o 16.602  2.6519  39.039    11.548    33.341    16.334    44.733    16.328    15.356  3.9490  17.848  3.5406  -2.491932      5.303814 
1 1 1 -22 -5  19 o 24.370  4.1587  83.320    26.172    0.0000    0.0000    83.320    26.172    ?       ?       24.370  4.1587  ?              ?        
1 1 1 -22 -5  20 o 15.916  2.5466  34.297    11.190    58.297    16.915    15.619    14.922    20.499  3.1841  11.333  3.9752  9.165359       5.093179 
1 1 1 -22 -5  21 o 119.640 2.7001  1954.12   86.352    1967.86   126.341   1942.08   118.296   119.964 3.9319  119.316 3.7015  0.6485977      5.400135 
1 1 1 -22 -5  22 o 63.186  1.9850  535.182   33.307    582.322   51.285    500.795   43.802    65.538  2.9215  60.834  2.6882  4.703976       3.970044 
1 1 1 -22 -5  23 o 46.572  2.0407  302.177   24.497    261.304   38.295    330.485   31.870    43.689  3.2969  49.456  2.4059  -5.766880      4.081369 
1 1 1 -22 -5  24 o 34.974  2.0103  165.303   18.323    176.078   29.190    158.296   23.538    35.854  3.0691  34.093  2.5972  1.760937       4.020516 
1 1 1 -22 -5  25 o 36.529  2.0100  179.334   19.110    197.081   30.817    168.245   24.360    37.923  3.0599  35.134  2.6071  2.788551       4.019991 
1 1 1 -22 -5  26 o 26.375  2.3529  97.838    15.650    91.499    25.169    101.834   19.983    25.519  3.7979  27.231  2.7786  -1.711514      4.705830 
1 1 1 -22 -5  27 o 9.8108  2.5508  3.2166    9.3351    23.616    16.309    -6.7234   11.384    13.090  4.1473  6.5315  2.9710  6.558623       5.101620 
1 1 1 -22 -5  28 o 26.666  2.3228  97.334    15.838    107.155   25.849    91.432    20.040    27.643  3.5749  25.690  2.9669  1.953623       4.645662 
1 1 1 -22 -5  29 o 41.272  2.7043  233.721   29.730    0.0000    0.0000    233.721   29.730    ?       ?       41.272  2.7043  ?              ?        
1 1 1 -22 -5  30 o 13.445  2.8994  19.939    13.073    46.151    20.005    0.4033    17.271    17.730  4.2647  9.1593  3.9290  8.570403       5.798702 
1 1 1 -22 -5  31 o 36.628  2.2673  186.102   21.494    193.949   34.577    181.161   27.439    37.101  3.5216  36.155  2.8567  0.9458351      4.534604 
1 1 1 -22 -5  32 o 12.760  2.9731  23.373    12.116    11.786    20.894    29.242    14.871    11.398  4.5458  14.122  3.8332  -2.724174      5.946232 
1 1 1 -22 -5  33 f 11.498  3.0307  11.224    12.176    28.824    21.734    3.1724    14.700    14.181  4.8043  8.8156  3.6960  5.365060       6.061488 
1 1 1 -22 -5  34 o 28.833  2.6625  123.072   18.895    111.338   31.298    129.801   23.701    27.299  4.4323  30.367  2.9513  -3.067434      5.324978 
1 1 1 -22 -5  35 o 30.487  2.5461  132.328   19.656    142.061   32.748    126.848   24.576    31.085  4.0280  29.889  3.1155  1.195669       5.092267 
1 1 1 -22 -5  36 o 20.694  3.1383  65.023    16.115    66.232    27.856    64.414    19.757    20.456  5.1013  20.932  3.6569  -0.4762726     6.276693 
1 1 1 -22 -5  37 o 38.540  2.5432  215.639   24.727    215.094   41.387    215.941   30.835    38.035  4.1288  39.046  2.9706  -1.010597      5.086439 
1 1 1 -22 -5  38 o 10.438  4.6045  -0.1064   25.149    -0.1064   25.149    0.0000    0.0000    10.438  4.6045  ?       ?       ?              ?        
1 1 1 -22 -5  39 o 20.215  3.3973  70.440    17.668    53.238    31.221    78.544    21.429    17.528  5.7543  22.902  3.6131  -5.374317      6.794599 
1 1 1 -22 -4  1  o 92.261  2.6176  1086.49   61.681    952.635   74.872    1369.20   108.812   84.003  3.3276  100.519 4.0415  -16.51541      5.235119 
1 1 1 -22 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -4  5  o 27.087  3.7050  100.921   26.176    100.921   26.176    0.0000    0.0000    27.087  3.7050  ?       ?       ?              ?        
1 1 1 -22 -4  6  o 51.148  1.8956  353.193   25.845    346.957   37.313    358.942   35.831    50.702  2.7580  51.594  2.6012  -0.8926048     3.791118 
1 1 1 -22 -4  7  o 99.864  2.4283  1346.08   64.932    1325.46   92.525    1366.08   91.145    99.099  3.4858  100.629 3.3816  -1.529602      4.856512 
1 1 1 -22 -4  8  o 36.695  1.8344  182.055   17.906    180.340   25.630    183.690   25.026    36.520  2.6379  36.871  2.5497  -0.3507652     3.668753 
1 1 1 -22 -4  9  o 127.439 2.8031  2198.38   95.622    2287.56   135.303   2109.38   135.159   130.049 3.8843  124.830 4.0424  5.218430       5.606106 
1 1 1 -22 -4  10 o 99.666  2.4223  1340.95   64.657    1315.52   91.319    1366.53   91.558    98.711  3.4538  100.620 3.3972  -1.908661      4.844602 
1 1 1 -22 -4  11 o 55.860  1.8870  419.960   28.229    429.215   40.071    410.841   39.775    56.473  2.6491  55.247  2.6879  1.225945       3.773956 
1 1 1 -22 -4  12 o 43.063  1.8287  250.438   20.994    252.433   29.900    248.499   29.485    43.232  2.5941  42.895  2.5783  0.3372269      3.657442 
1 1 1 -22 -4  13 o 56.147  1.8603  424.363   27.969    438.190   39.854    410.943   39.262    57.050  2.6081  55.243  2.6534  1.807259       3.720598 
1 1 1 -22 -4  14 o 33.499  1.8770  151.814   16.684    161.844   24.147    142.650   23.080    34.567  2.6277  32.432  2.6810  2.134842       3.753994 
1 1 1 -22 -4  15 o 32.014  1.8987  138.894   16.114    147.789   23.232    130.648   22.369    33.013  2.6496  31.016  2.7201  1.997154       3.797327 
1 1 1 -22 -4  16 o 41.699  1.9467  235.391   21.609    239.678   31.155    231.418   29.997    42.061  2.7811  41.336  2.7246  0.7246399      3.893326 
1 1 1 -22 -4  17 o 108.478 2.4869  1595.81   72.100    1594.56   105.459   1596.91   98.797    108.393 3.6324  108.563 3.3976  -0.1694412     4.973744 
1 1 1 -22 -4  18 o 22.399  2.3013  74.260    12.341    53.497    19.972    87.084    15.697    19.481  3.9626  25.318  2.3412  -5.837511      4.602523 
1 1 1 -22 -4  19 o 24.119  2.0296  75.737    12.506    99.490    20.752    62.191    15.671    26.968  2.9195  21.270  2.8203  5.698637       4.059217 
1 1 1 -22 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -4  21 o 39.996  1.9395  217.010   20.269    219.334   31.920    215.440   26.237    40.121  2.9918  39.871  2.4689  0.2506180      3.878968 
1 1 1 -22 -4  22 o 45.236  1.9760  281.677   23.261    259.650   36.195    297.176   30.361    43.624  3.1183  46.848  2.4279  -3.224846      3.951982 
1 1 1 -22 -4  23 o 45.791  1.9933  286.833   23.863    276.616   37.167    293.998   31.126    45.016  3.1014  46.565  2.5048  -1.549713      3.986610 
1 1 1 -22 -4  24 o 39.606  2.0430  215.443   21.008    207.257   33.141    220.943   27.162    38.884  3.2107  40.329  2.5273  -1.444496      4.086090 
1 1 1 -22 -4  25 o 24.481  2.2754  78.814    14.154    107.751   23.188    61.633    17.868    27.949  3.1527  21.014  3.2818  6.934450       4.550790 
1 1 1 -22 -4  26 o 33.380  2.2547  160.304   18.798    126.374   29.635    183.147   24.316    30.086  3.7595  36.674  2.4901  -6.587500      4.509384 
1 1 1 -22 -4  27 o 25.929  2.3434  93.644    15.335    93.324    25.089    93.835    19.376    25.759  3.7462  26.099  2.8164  -0.3399830     4.686759 
1 1 1 -22 -4  28 o 18.201  2.8008  47.816    12.918    46.869    21.195    48.375    16.293    17.935  4.4367  18.468  3.4198  -0.5337677     5.601676 
1 1 1 -22 -4  29 o 22.774  2.6957  74.997    15.162    70.002    25.086    77.872    19.031    21.927  4.4238  23.620  3.0816  -1.692390      5.391300 
1 1 1 -22 -4  30 o 37.355  3.4689  195.410   34.312    195.410   34.312    0.0000    0.0000    37.355  3.4689  ?       ?       ?              ?        
1 1 1 -22 -4  31 o 45.144  2.1893  284.175   25.737    279.535   40.572    287.299   33.294    44.651  3.4183  45.636  2.7364  -0.9848557     4.378671 
1 1 1 -22 -4  32 o 16.338  3.0587  40.492    13.252    35.550    22.865    42.992    16.262    15.507  4.9104  17.170  3.6484  -1.663529      6.117419 
1 1 1 -22 -4  33 o 31.027  2.6128  144.676   19.586    117.531   32.478    160.191   24.553    28.133  4.4587  33.921  2.7254  -5.787918      5.225656 
1 1 1 -22 -4  34 o 41.580  2.2643  235.081   24.483    293.304   39.997    200.195   30.961    45.487  3.3055  37.674  3.0956  7.813538       4.528681 
1 1 1 -22 -4  35 o 32.014  2.5461  147.249   20.536    150.818   34.298    145.255   25.640    31.981  4.0982  32.048  3.0226  -0.6720924E-01 5.092273 
1 1 1 -22 -4  36 o 30.676  2.6024  133.646   20.176    149.429   34.029    125.090   25.055    31.771  4.0941  29.582  3.2139  2.188631       5.204888 
1 1 1 -22 -4  37 o 27.284  3.2570  126.850   20.404    79.820    34.756    151.583   25.205    21.859  5.8293  32.710  2.9071  -10.85178      6.514016 
1 1 1 -22 -4  38 o 33.588  4.4233  172.718   38.826    172.718   38.826    0.0000    0.0000    33.588  4.4233  ?       ?       ?              ?        
1 1 1 -22 -4  39 o 11.995  3.3269  12.676    13.841    34.349    28.122    5.7469    15.900    14.735  5.4204  9.2549  3.8591  5.480097       6.653821 
1 1 1 -22 -3  1  o 33.608  1.7755  153.294   15.741    131.387   22.140    175.688   22.384    31.135  2.6809  36.081  2.3286  -4.946106      3.551006 
1 1 1 -22 -3  2  o 91.751  2.2488  1135.16   55.235    1109.20   78.791    1160.24   77.455    90.708  3.2430  92.794  3.1163  -2.086922      4.497576 
1 1 1 -22 -3  3  o 68.061  1.9640  622.677   35.787    646.020   51.571    600.997   49.701    69.290  2.7787  66.832  2.7764  2.457909       3.928080 
1 1 1 -22 -3  4  o 73.280  2.0615  723.147   40.427    714.659   58.233    731.043   56.168    72.856  2.9841  73.704  2.8452  -0.8481750     4.123077 
1 1 1 -22 -3  5  o 80.826  2.1537  879.432   46.609    889.313   66.932    870.129   64.944    81.262  3.0751  80.389  3.0161  0.8727875      4.307345 
1 1 1 -22 -3  6  o 27.771  1.8504  104.708   13.577    102.724   19.677    106.512   18.757    27.505  2.7059  28.036  2.5248  -0.5313168     3.700880 
1 1 1 -22 -3  7  o 31.245  3.3499  133.087   27.598    0.0000    0.0000    133.087   27.598    ?       ?       31.245  3.3499  ?              ?        
1 1 1 -22 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -3  9  o 82.612  2.1558  919.474   47.683    946.816   67.361    892.013   67.509    83.851  2.9992  81.373  3.0974  2.477722       4.311504 
1 1 1 -22 -3  10 f 99.976  2.4055  1348.40   64.415    1342.95   90.925    1353.89   91.268    99.773  3.4024  100.179 3.4014  -0.4058228     4.810982 
1 1 1 -22 -3  11 o 93.777  2.3847  1186.58   59.900    1179.92   84.570    1193.29   84.852    93.512  3.3764  94.042  3.3686  -0.5299301     4.769495 
1 1 1 -22 -3  12 o 33.908  1.9136  155.865   17.219    150.868   24.593    160.670   24.116    33.361  2.7775  34.455  2.6331  -1.093906      3.827201 
1 1 1 -22 -3  13 o 113.427 2.5664  1739.66   77.971    1730.56   110.010   1748.85   110.526   113.129 3.6305  113.725 3.6284  -0.5966568     5.132867 
1 1 1 -22 -3  14 o 70.097  1.9465  662.096   36.351    660.607   54.245    663.309   48.974    70.004  2.8930  70.190  2.6049  -0.1864014     3.892972 
1 1 1 -22 -3  15 o 77.258  2.0678  809.117   42.470    767.367   63.074    843.746   57.443    75.386  3.1237  79.129  2.7103  -3.742668      4.135576 
1 1 1 -22 -3  16 o 84.577  2.1422  963.982   48.363    989.577   71.803    942.727   65.432    85.578  3.1325  83.576  2.9229  2.002495       4.284389 
1 1 1 -22 -3  17 o 110.581 2.5259  1657.86   74.656    1663.79   109.263   1652.67   102.246   110.722 3.6843  110.439 3.4565  0.2832794      5.051836 
1 1 1 -22 -3  18 o 23.561  2.2419  79.429    12.982    65.879    21.037    87.763    16.498    21.720  3.7516  25.402  2.4555  -3.681087      4.483710 
1 1 1 -22 -3  19 o 57.940  1.9059  446.734   29.354    512.743   44.948    397.645   38.761    61.613  2.7236  54.268  2.6667  7.344616       3.811733 
1 1 1 -22 -3  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -3  21 o 36.691  1.9396  181.838   18.662    190.475   29.170    175.854   24.281    37.387  2.9365  35.996  2.5346  1.391407       3.879124 
1 1 1 -22 -3  22 o 19.808  2.4127  56.640    11.856    47.581    18.982    62.434    15.181    18.304  3.9849  21.312  2.7215  -3.008432      4.825495 
1 1 1 -22 -3  23 o 40.178  2.0126  222.231   20.995    208.288   32.888    231.820   27.275    39.016  3.1747  41.341  2.4746  -2.325241      4.025182 
1 1 1 -22 -3  24 o 29.940  2.2012  127.209   16.576    106.823   26.261    140.711   21.372    27.725  3.6228  32.155  2.5011  -4.429321      4.402344 
1 1 1 -22 -3  25 o 21.250  2.5887  66.734    13.507    51.536    21.658    76.406    17.278    18.937  4.3602  23.563  2.7919  -4.626432      5.177429 
1 1 1 -22 -3  26 o 15.013  2.7385  31.105    10.692    36.495    18.187    28.259    13.217    15.943  4.2002  14.083  3.5150  1.860081       5.476976 
1 1 1 -22 -3  27 o 43.081  2.0895  255.783   23.525    247.077   36.536    261.949   30.747    42.346  3.2460  43.816  2.6321  -1.470356      4.179028 
1 1 1 -22 -3  28 o 35.922  2.1647  178.658   20.137    174.903   31.874    181.152   25.979    35.485  3.3949  36.359  2.6866  -0.8743134     4.329397 
1 1 1 -22 -3  29 o 33.743  2.2170  156.841   19.332    162.871   31.090    153.039   24.684    34.153  3.4458  33.333  2.7905  0.8199692      4.433973 
1 1 1 -22 -3  30 o 13.561  4.5999  25.058    19.924    25.058    19.924    0.0000    0.0000    13.561  4.5999  ?       ?       ?              ?        
1 1 1 -22 -3  31 o 37.412  2.2130  190.920   21.564    217.747   34.727    174.084   27.510    39.424  3.3196  35.401  2.9276  4.022663       4.426066 
1 1 1 -22 -3  32 o 14.654  2.8039  34.117    13.182    2.8206    22.338    50.840    16.328    10.503  4.4858  18.804  3.3654  -8.301411      5.607895 
1 1 1 -22 -3  33 o 12.097  2.6724  19.293    12.178    -13.6484  20.858    36.329    15.000    8.4795  3.9174  15.714  3.6361  -7.234068      5.344815 
1 1 1 -22 -3  34 o 45.908  2.2397  289.766   26.873    339.236   43.316    258.812   34.264    48.901  3.3269  42.916  2.9996  5.985073       4.479485 
1 1 1 -22 -3  35 o 25.466  2.7677  88.734    17.611    125.703   30.156    69.598    21.696    29.246  3.9507  21.687  3.8772  7.558702       5.535438 
1 1 1 -22 -3  36 o 13.302  3.2517  25.891    14.563    11.871    25.291    32.846    17.812    11.896  4.9056  14.708  4.2697  -2.811842      6.503494 
1 1 1 -22 -3  37 o 27.722  3.1822  125.410   20.609    93.409    35.073    142.288   25.471    23.858  5.5868  31.586  3.0486  -7.727612      6.364397 
1 1 1 -22 -3  38 o 28.586  2.9528  115.095   21.001    158.896   36.866    94.052    25.553    32.192  4.3900  24.981  3.9503  7.211348       5.905683 
1 1 1 -22 -3  39 o 29.027  2.8785  120.430   20.900    164.392   36.330    98.684    25.552    32.580  4.2656  25.474  3.8662  7.105865       5.757005 
1 1 1 -22 -2  1  o 41.698  1.7724  234.848   19.675    227.865   28.315    241.368   27.360    41.086  2.5862  42.310  2.4243  -1.224037      3.544813 
1 1 1 -22 -2  2  o 91.281  2.2572  1122.29   55.171    1129.81   79.099    1115.17   76.992    91.574  3.2249  90.989  3.1591  0.5845108      4.514393 
1 1 1 -22 -2  3  o 44.450  1.7849  266.234   21.149    270.916   30.555    261.928   29.304    44.822  2.5557  44.078  2.4923  0.7445602      3.569750 
1 1 1 -22 -2  4  o 65.699  1.9857  580.261   34.930    592.166   50.227    569.111   48.610    66.349  2.8263  65.048  2.7900  1.300728       3.971369 
1 1 1 -22 -2  5  o 61.593  1.9663  509.760   32.424    530.298   46.633    490.539   45.113    62.794  2.7726  60.392  2.7889  2.401337       3.932595 
1 1 1 -22 -2  6  o 45.433  1.8763  278.357   22.726    281.784   32.632    275.129   31.669    45.703  2.6774  45.164  2.6293  0.5390205      3.752550 
1 1 1 -22 -2  7  o 57.926  1.9834  452.281   30.688    431.227   43.544    473.058   43.257    56.541  2.8848  59.311  2.7229  -2.769825      3.966893 
1 1 1 -22 -2  8  o 121.692 2.7120  2000.49   88.358    2061.37   124.691   1939.08   125.226   123.570 3.7673  119.814 3.9021  3.756096       5.423940 
1 1 1 -22 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -2  10 f 79.250  4.3822  853.329   92.659    853.329   92.659    0.0000    0.0000    79.250  4.3822  ?       ?       ?              ?        
1 1 1 -22 -2  11 f 59.553  1.8045  470.931   28.538    567.221   42.885    394.399   38.233    64.956  2.4649  54.149  2.6360  10.80674       3.608933 
1 1 1 -22 -2  12 o 68.843  1.9302  637.544   35.419    640.875   52.817    634.822   47.746    68.990  2.8582  68.696  2.5949  0.2940369      3.860427 
1 1 1 -22 -2  13 o 100.712 2.3572  1374.45   63.286    1298.59   92.471    1441.28   86.797    98.042  3.5213  103.382 3.1345  -5.339401      4.714326 
1 1 1 -22 -2  14 o 44.780  1.8511  278.354   21.410    229.967   32.763    314.419   28.286    41.193  2.9898  48.366  2.1834  -7.173225      3.702186 
1 1 1 -22 -2  15 o 40.533  1.8178  223.860   19.243    212.546   29.907    231.853   25.138    39.608  2.8378  41.459  2.2724  -1.850967      3.635540 
1 1 1 -22 -2  16 o 28.330  1.9624  112.588   14.041    95.713    22.301    123.671   18.073    26.423  3.2175  30.238  2.2476  -3.815445      3.924793 
1 1 1 -22 -2  17 o 38.119  1.8168  193.316   18.219    218.427   28.590    176.146   23.641    40.160  2.6732  36.079  2.4611  4.081089       3.633567 
1 1 1 -22 -2  18 o 41.397  1.8770  223.515   19.968    325.276   31.365    154.158   25.894    49.136  2.3832  33.658  2.9006  15.47873       3.754059 
1 1 1 -22 -2  19 o 51.170  1.8804  349.314   25.539    394.663   39.081    315.514   33.739    54.061  2.6990  48.279  2.6189  5.781387       3.760732 
1 1 1 -22 -2  20 o 60.533  2.5223  502.581   36.578    492.722   68.444    506.522   43.276    59.830  4.2996  61.236  2.6385  -1.405437      5.044651 
1 1 1 -22 -2  21 o 69.703  3.1171  659.108   58.197    659.108   58.197    0.0000    0.0000    69.703  3.1171  ?       ?       ?              ?        
1 1 1 -22 -2  22 o 26.958  2.2181  103.472   14.932    85.802    23.654    115.179   19.253    24.823  3.6681  29.093  2.4948  -4.270096      4.436111 
1 1 1 -22 -2  23 o 48.446  2.0241  322.684   25.686    298.734   39.292    340.557   33.943    46.773  3.1547  50.119  2.5367  -3.345512      4.048114 
1 1 1 -22 -2  24 o 30.409  2.0627  124.236   16.333    140.262   26.016    113.810   20.984    31.972  3.0759  28.846  2.7492  3.126822       4.125452 
1 1 1 -22 -2  25 o 56.433  2.0727  436.506   30.842    415.176   46.877    452.787   40.954    55.085  3.1908  57.780  2.6463  -2.694916      4.145355 
1 1 1 -22 -2  26 o 54.975  2.1063  417.395   30.382    382.716   46.306    443.606   40.258    52.792  3.2912  57.159  2.6296  -4.366714      4.212668 
1 1 1 -22 -2  27 o 27.701  2.3880  111.341   16.340    89.022    25.922    126.055   21.048    25.061  3.9960  30.341  2.6155  -5.279942      4.775915 
1 1 1 -22 -2  28 o 56.821  2.1265  442.237   31.987    447.848   48.766    438.000   42.378    57.009  3.2067  56.633  2.7937  0.3759041      4.252929 
1 1 1 -22 -2  29 o 34.101  2.3129  165.136   20.096    146.892   31.778    177.294   25.942    32.289  3.7438  35.912  2.7171  -3.622765      4.625828 
1 1 1 -22 -2  30 o 41.361  3.4345  239.286   37.705    239.286   37.705    0.0000    0.0000    41.361  3.4345  ?       ?       ?              ?        
1 1 1 -22 -2  31 o 25.306  2.5995  92.418    16.390    88.122    26.830    94.976    20.701    24.573  4.2288  26.039  3.0244  -1.465769      5.199046 
1 1 1 -22 -2  32 o 31.687  2.3808  132.129   19.065    197.177   31.928    96.081    23.768    37.449  3.2141  25.925  3.5133  11.52401       4.761685 
1 1 1 -22 -2  33 o 7.6193  2.4407  -7.1057   9.9960    -1.7383   17.563    -9.6772   12.157    8.8578  3.8793  6.3807  2.9628  2.477034       4.881308 
1 1 1 -22 -2  34 o 40.896  2.3610  235.098   24.889    250.029   40.774    226.231   31.422    41.660  3.6923  40.133  2.9436  1.526886       4.722101 
1 1 1 -22 -2  35 o 17.375  3.2877  46.342    15.029    47.107    26.113    45.962    18.378    17.275  5.2100  17.475  4.0113  -0.1996956     6.575311 
1 1 1 -22 -2  36 o 34.485  2.7568  178.725   23.201    160.323   39.240    188.616   28.769    32.451  4.6473  36.520  2.9667  -4.068707      5.513501 
1 1 1 -22 -2  37 o 29.219  3.3075  123.388   25.429    0.0000    0.0000    123.388   25.429    ?       ?       29.219  3.3075  ?              ?        
1 1 1 -22 -2  38 o 24.603  3.2817  95.851    19.447    92.907    34.321    97.244    23.602    23.546  5.5351  25.660  3.5272  -2.113960      6.563452 
1 1 1 -22 -2  39 o 17.567  3.3387  57.207    17.549    22.668    32.249    71.735    20.916    13.422  5.5378  21.711  3.7313  -8.289256      6.677500 
1 1 1 -22 -1  1  o 39.841  1.7740  215.342   18.724    195.807   27.041    233.337   25.953    38.069  2.6688  41.612  2.3379  -3.543175      3.548018 
1 1 1 -22 -1  2  o 56.903  1.8833  435.417   28.686    432.001   41.212    438.627   39.954    56.683  2.7145  57.124  2.6112  -0.4414673     3.766556 
1 1 1 -22 -1  3  o 28.307  1.7619  108.394   13.216    111.753   19.049    105.277   18.351    28.732  2.5002  27.883  2.4832  0.8491268      3.523805 
1 1 1 -22 -1  4  o 54.136  1.9007  393.781   27.553    401.771   39.574    386.264   38.384    54.668  2.7026  53.605  2.6734  1.063190       3.801459 
1 1 1 -22 -1  5  o 91.847  2.2940  1135.63   56.414    1178.37   80.457    1094.30   79.124    93.552  3.2109  90.143  3.2771  3.409050       4.587912 
1 1 1 -22 -1  6  o 25.115  1.8565  85.612    12.296    89.678    17.682    81.805    17.111    25.701  2.6045  24.529  2.6463  1.171761       3.713009 
1 1 1 -22 -1  7  o 14.000  2.0478  28.225    7.2385    23.308    11.670    31.299    9.2279    12.915  3.3465  15.086  2.3611  -2.171388      4.095611 
1 1 1 -22 -1  8  o 83.352  2.1216  936.805   47.206    910.021   69.097    960.249   64.645    82.214  3.1378  84.490  2.8565  -2.276688      4.243279 
1 1 1 -22 -1  9  o 92.536  2.2440  1158.77   55.326    1080.29   80.674    1228.45   76.018    89.532  3.3641  95.540  2.9706  -6.008224      4.487953 
1 1 1 -22 -1  10 o 92.825  4.2563  1166.07   105.824   0.0000    0.0000    1166.07   105.824   ?       ?       92.825  4.2563  ?              ?        
1 1 1 -22 -1  11 o 54.263  2.5709  396.834   36.918    419.990   55.999    379.033   49.098    55.634  3.7804  52.892  3.4852  2.741409       5.141773 
1 1 1 -22 -1  12 o 103.482 2.3650  1441.14   65.458    1506.32   95.733    1383.91   89.704    105.666 3.3825  101.298 3.3062  4.367683       4.729906 
1 1 1 -22 -1  13 f 44.843  1.7728  269.158   20.995    285.881   32.442    257.109   27.538    46.017  2.6432  43.669  2.3632  2.348259       3.545591 
1 1 1 -22 -1  14 o 97.191  2.3569  1283.68   60.919    1183.81   89.342    1370.45   83.281    93.579  3.5644  100.804 3.0844  -7.225151      4.713705 
1 1 1 -22 -1  15 o 20.895  2.1168  56.842    11.136    81.920    18.117    41.612    14.118    24.497  2.8121  17.292  3.1648  7.204592       4.233685 
1 1 1 -22 -1  16 o 43.842  1.9346  267.763   21.838    219.818   33.540    303.049   28.774    40.221  3.1381  47.463  2.2634  -7.241577      3.869182 
1 1 1 -22 -1  17 o 64.871  1.9863  567.881   34.296    567.553   51.452    568.143   46.007    64.826  2.9632  64.915  2.6460  -0.8867645E-01 3.972657 
1 1 1 -22 -1  18 o 78.134  2.1386  824.517   44.598    836.451   66.106    814.547   60.420    78.624  3.1390  77.645  2.9052  0.9792023      4.277126 
1 1 1 -22 -1  19 o 74.092  2.1443  748.421   42.174    691.562   62.451    796.092   57.183    71.425  3.2644  76.760  2.7813  -5.335197      4.288566 
1 1 1 -22 -1  20 o 72.180  2.1007  704.382   40.442    716.497   60.240    694.442   54.566    72.712  3.0931  71.649  2.8433  1.062370       4.201402 
1 1 1 -22 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 -1  22 o 40.728  1.9608  226.046   20.981    222.823   32.246    228.412   27.629    40.422  2.9997  41.034  2.5261  -0.6127167     3.921660 
1 1 1 -22 -1  23 o 37.062  1.9697  182.035   19.118    229.861   29.881    148.886   24.877    41.105  2.7295  33.020  2.8404  8.085613       3.939323 
1 1 1 -22 -1  24 o 33.913  2.1722  163.218   18.675    132.069   28.935    185.459   24.450    30.884  3.5632  36.941  2.4855  -6.056696      4.344393 
1 1 1 -22 -1  25 o 36.645  2.0740  183.631   19.845    184.689   31.032    182.899   25.813    36.662  3.1919  36.628  2.6490  0.3480530E-01  4.147962 
1 1 1 -22 -1  26 o 42.263  2.1206  249.691   23.209    217.866   35.657    273.087   30.572    39.738  3.3822  44.788  2.5591  -5.049614      4.241215 
1 1 1 -22 -1  27 o 47.790  2.1302  317.751   26.559    287.583   40.687    340.149   35.058    45.643  3.3515  49.937  2.6303  -4.293941      4.260396 
1 1 1 -22 -1  28 o 35.214  2.3117  178.857   20.458    142.238   31.969    204.252   26.622    31.789  3.8317  38.638  2.5874  -6.848341      4.623497 
1 1 1 -22 -1  29 o 8.9789  2.6653  2.9922    10.583    -3.2316   18.332    6.1035    12.961    8.9973  3.9512  8.9605  3.5782  0.3674603E-01  5.330640 
1 1 1 -22 -1  30 o 15.985  4.7470  37.576    21.802    37.576    21.802    0.0000    0.0000    15.985  4.7470  ?       ?       ?              ?        
1 1 1 -22 -1  31 o 41.124  2.2098  229.790   23.705    268.777   38.290    205.560   30.185    43.803  3.2875  38.446  2.9539  5.357491       4.419626 
1 1 1 -22 -1  32 o 18.895  3.0802  49.720    14.670    68.025    25.566    40.735    17.912    21.238  4.6253  16.551  4.0689  4.686388       6.160326 
1 1 1 -22 -1  33 o 16.883  3.1454  38.642    14.110    62.272    24.502    26.917    17.259    20.210  4.6262  13.555  4.2631  6.654745       6.290885 
1 1 1 -22 -1  34 o 20.522  3.0698  62.952    15.675    66.014    26.822    61.364    19.317    20.587  4.9295  20.457  3.6598  0.1296616      6.139506 
1 1 1 -22 -1  35 o 45.090  2.3106  279.124   27.152    344.888   44.159    239.145   34.430    49.135  3.3759  41.046  3.1559  8.088875       4.621276 
1 1 1 -22 -1  36 o 15.739  3.4333  36.657    15.136    45.359    26.716    32.544    18.368    16.870  5.3036  14.608  4.3615  2.261724       6.866634 
1 1 1 -22 -1  37 o 15.794  6.0799  37.554    36.276    0.0000    0.0000    37.554    36.276    ?       ?       15.794  6.0799  ?              ?        
1 1 1 -22 -1  38 o 16.225  3.3555  32.755    15.286    73.102    28.736    16.833    18.052    21.046  5.1416  11.405  4.3131  9.641170       6.711067 
1 1 1 -22 -1  39 o 17.317  3.5502  48.753    16.363    56.642    30.249    45.489    19.456    17.820  5.6484  16.814  4.3023  1.006462       7.100302 
1 1 1 -22 0   1  o 42.474  2.0811  237.908   22.076    260.917   39.373    227.359   26.661    43.880  3.3759  41.067  2.4346  2.812653       4.162177 
1 1 1 -22 0   2  o 24.941  1.6423  85.136    10.615    79.440    16.431    89.217    13.907    24.178  2.5769  25.703  2.0368  -1.524643      3.284665 
1 1 1 -22 0   3  o 73.155  1.9965  718.899   38.961    727.081   57.907    712.132   52.664    73.522  2.9405  72.787  2.7013  0.7351074      3.992960 
1 1 1 -22 0   4  o 153.157 3.1272  3166.96   128.096   3419.83   184.914   2933.65   177.615   159.052 4.3405  147.261 4.5030  11.79121       6.254367 
1 1 1 -22 0   5  o 172.310 3.4300  4018.35   157.846   4453.46   227.442   3614.05   219.240   181.367 4.6819  163.253 5.0138  18.11366       6.859931 
1 1 1 -22 0   6  f 23.918  1.7097  76.421    10.699    86.307    16.597    69.392    13.994    25.225  2.4888  22.611  2.3447  2.614119       3.419375 
1 1 1 -22 0   7  o 62.744  1.8978  530.126   31.733    519.099   47.044    539.331   42.984    62.131  2.8269  63.356  2.5330  -1.224670      3.795693 
1 1 1 -22 0   8  o 49.374  1.7602  330.093   23.005    310.760   34.375    345.775   30.960    48.006  2.6841  50.743  2.2779  -2.737232      3.520389 
1 1 1 -22 0   9  o 46.930  1.6941  293.329   21.146    327.420   31.927    266.689   28.223    49.367  2.4145  44.493  2.3768  4.873688       3.388108 
1 1 1 -22 0   10 o 72.827  1.9744  714.412   38.343    702.753   56.713    724.227   52.039    72.263  2.9301  73.392  2.6472  -1.128471      3.948829 
1 1 1 -22 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 0   12 o 35.117  1.7435  165.583   16.079    172.730   25.070    160.588   20.956    35.738  2.6377  34.496  2.2809  1.241959       3.487080 
1 1 1 -22 0   13 o 48.405  1.8621  322.567   23.467    278.071   35.806    356.072   31.070    45.336  2.9650  51.474  2.2535  -6.138145      3.724183 
1 1 1 -22 0   14 o 14.391  2.3075  27.853    8.5242    35.331    13.905    23.351    10.789    15.880  3.3734  12.903  3.1495  2.977134       4.615067 
1 1 1 -22 0   15 o 123.184 2.7559  2061.81   90.673    1974.66   131.458   2140.91   125.230   120.628 4.0686  125.739 3.7183  -5.111076      5.511786 
1 1 1 -22 0   16 o 121.666 2.7394  2012.07   89.068    1946.32   129.064   2071.86   123.072   119.702 4.0255  123.631 3.7166  -3.928322      5.478800 
1 1 1 -22 0   17 o 52.639  1.9624  380.336   27.101    333.747   40.672    417.539   36.344    49.601  3.0765  55.677  2.4371  -6.075726      3.924839 
1 1 1 -22 0   18 o 52.046  1.9883  373.645   27.053    317.405   40.479    419.039   36.367    48.331  3.1440  55.762  2.4349  -7.430626      3.976614 
1 1 1 -22 0   19 o 92.643  2.3487  1165.39   58.122    1146.35   85.006    1182.11   79.649    91.884  3.4540  93.402  3.1837  -1.517944      4.697436 
1 1 1 -22 0   20 o 60.895  2.0833  511.274   33.286    438.892   49.528    570.896   44.951    56.773  3.2709  65.017  2.5812  -8.243870      4.166674 
1 1 1 -22 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 0   22 o 75.552  2.1533  769.821   43.432    843.967   64.611    708.700   58.662    78.845  3.0594  72.260  3.0309  6.585136       4.306571 
1 1 1 -22 0   23 o 20.680  2.4695  61.580    12.707    52.671    20.240    67.376    16.325    19.241  4.0552  22.120  2.8195  -2.879021      4.939009 
1 1 1 -22 0   24 o 13.067  2.3679  16.508    9.4559    47.834    16.343    0.7423    11.594    18.432  3.4367  7.7019  3.2584  10.73009       4.735795 
1 1 1 -22 0   25 o 33.994  2.1020  158.112   18.644    160.551   29.129    156.419   24.265    34.148  3.2228  33.840  2.6995  0.3077736      4.204050 
1 1 1 -22 0   26 o 30.673  2.1553  128.471   17.162    135.780   27.219    123.648   22.111    31.326  3.2933  30.020  2.7814  1.305496       4.310689 
1 1 1 -22 0   27 o 47.165  2.1096  304.820   26.146    308.287   40.541    302.352   34.211    47.302  3.2190  47.028  2.7276  0.2736130      4.219213 
1 1 1 -22 0   28 f 33.671  2.2280  156.992   19.389    157.571   30.877    156.615   24.914    33.599  3.4814  33.743  2.7814  -0.1431885     4.456097 
1 1 1 -22 0   29 o 33.090  2.8285  151.206   24.829    0.0000    0.0000    151.206   24.829    ?       ?       33.090  2.8285  ?              ?        
1 1 1 -22 0   30 o 37.374  2.3316  198.638   22.211    181.656   35.631    209.431   28.406    35.793  3.7734  38.955  2.7399  -3.162472      4.663214 
1 1 1 -22 0   31 o 64.201  2.2869  574.320   38.702    582.174   59.963    568.711   50.669    64.326  3.4934  64.077  2.9522  0.2488632      4.573760 
1 1 1 -22 0   32 o 41.214  2.3167  239.443   24.626    240.256   39.751    238.938   31.371    41.017  3.6566  41.411  2.8455  -0.3938293     4.633334 
1 1 1 -22 0   33 o 28.092  2.5665  109.641   18.095    129.757   31.136    99.381    22.236    29.769  4.0066  26.415  3.2086  3.353785       5.133063 
1 1 1 -22 0   34 o 10.597  3.0170  9.1431    11.933    14.825    22.887    7.0220    13.984    11.974  4.7632  9.2195  3.7042  2.753990       6.033994 
1 1 1 -22 0   35 o 50.822  2.4192  369.485   31.686    371.343   51.532    368.355   40.178    50.501  3.8384  51.142  2.9455  -0.6412582     4.838346 
1 1 1 -22 0   36 o 13.075  3.2113  18.494    13.210    42.164    24.578    8.8793    15.665    16.323  5.0797  9.8270  3.9303  6.495776       6.422698 
1 1 1 -22 0   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 0   38 o 9.2874  2.8156  -15.4010  12.130    25.181    23.848    -29.5648  14.089    13.205  4.9655  5.3703  2.6559  7.834365       5.631166 
1 1 1 -22 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 1   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 1   5  o 63.314  1.8938  536.838   31.971    557.912   47.897    519.903   42.936    64.423  2.7757  62.206  2.5769  2.217148       3.787509 
1 1 1 -22 1   6  o 9.6471  1.8927  12.394    5.0136    15.825    7.9462    10.125    6.4623    10.653  2.7619  8.6412  2.5886  2.011765       3.785325 
1 1 1 -22 1   7  o 90.473  2.2691  1112.15   54.469    979.520   79.177    1231.32   75.050    85.265  3.4669  95.680  2.9284  -10.41550      4.538193 
1 1 1 -22 1   8  o 87.617  2.1666  1036.72   50.634    982.839   73.827    1084.58   69.577    85.437  3.2261  89.797  2.8928  -4.360229      4.333131 
1 1 1 -22 1   9  o 100.197 2.3354  1355.59   62.489    1301.77   90.824    1403.97   86.110    98.277  3.4503  102.116 3.1483  -3.839264      4.670792 
1 1 1 -22 1   10 o 88.872  2.1578  1059.64   51.269    1125.86   75.352    1002.55   69.958    91.445  3.0764  86.299  3.0265  5.145706       4.315571 
1 1 1 -22 1   11 o 102.873 4.5848  1435.06   126.332   0.0000    0.0000    1435.06   126.332   ?       ?       102.873 4.5848  ?              ?        
1 1 1 -22 1   12 o 50.337  1.8411  345.740   24.335    312.966   36.896    370.976   32.376    48.130  2.8752  52.543  2.3005  -4.412556      3.682222 
1 1 1 -22 1   13 o 61.537  1.8819  503.306   30.809    590.328   46.422    434.803   41.187    66.237  2.6166  56.837  2.7055  9.400105       3.763767 
1 1 1 -22 1   14 o 24.582  1.9222  78.982    12.044    111.509   19.141    57.660    15.497    28.679  2.5172  20.485  2.9057  8.193735       3.844391 
1 1 1 -22 1   15 o 77.435  2.1211  810.100   43.825    794.304   64.522    823.628   59.712    76.706  3.1405  78.163  2.8521  -1.457558      4.242290 
1 1 1 -22 1   16 o 83.465  2.2599  951.479   49.975    835.763   73.041    1053.33   68.525    78.575  3.4705  88.354  2.8955  -9.779663      4.519802 
1 1 1 -22 1   17 o 70.163  2.0369  661.385   38.181    714.913   56.460    616.275   51.830    72.763  2.8969  67.563  2.8641  5.199600       4.073713 
1 1 1 -22 1   18 o 55.356  1.9722  417.353   28.905    388.278   42.940    441.443   39.086    53.500  3.0087  57.211  2.5507  -3.710903      3.944396 
1 1 1 -22 1   19 o 72.916  2.1609  725.854   41.829    658.807   61.464    783.693   57.087    69.689  3.2928  76.143  2.7991  -6.453445      4.321776 
1 1 1 -22 1   20 f 41.904  1.9218  237.664   21.294    244.144   32.309    232.688   28.315    42.378  2.8632  41.429  2.5642  0.9491272      3.843559 
1 1 1 -22 1   21 o 53.985  3.0187  396.474   43.475    396.474   43.475    0.0000    0.0000    53.985  3.0187  ?       ?       ?              ?        
1 1 1 -22 1   22 f 35.142  2.0847  173.003   18.826    145.934   28.873    193.022   24.830    32.572  3.3576  37.713  2.4717  -5.141033      4.169309 
1 1 1 -22 1   23 o 37.580  2.0262  191.952   19.985    197.472   30.983    188.019   26.152    37.992  3.0710  37.168  2.6442  0.8234825      4.052480 
1 1 1 -22 1   24 o 41.796  2.0724  241.122   22.592    224.364   34.850    253.269   29.670    40.433  3.2453  43.160  2.5783  -2.727032      4.144862 
1 1 1 -22 1   25 o 53.875  2.0282  386.811   28.826    482.565   44.425    317.178   37.884    59.578  2.7839  48.172  2.9503  11.40612       4.056395 
1 1 1 -22 1   26 o 19.747  2.6032  57.121    12.812    47.868    20.566    62.990    16.379    18.198  4.2894  21.296  2.9507  -3.097824      5.206354 
1 1 1 -22 1   27 o 60.880  2.2074  513.214   35.349    481.570   53.913    537.075   46.817    59.030  3.4246  62.731  2.7863  -3.701450      4.414868 
1 1 1 -22 1   28 o 53.253  2.1663  391.589   30.306    386.653   46.863    395.138   39.733    52.828  3.3289  53.679  2.7729  -0.8516197     4.332534 
1 1 1 -22 1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 1   30 o 66.699  2.2673  613.220   40.089    649.950   61.937    586.736   52.592    68.267  3.3873  65.132  3.0147  3.135201       4.534530 
1 1 1 -22 1   31 o 23.999  2.6852  81.059    16.193    92.632    26.951    74.521    20.257    25.164  4.1427  22.833  3.4174  2.331821       5.370362 
1 1 1 -22 1   32 o 34.738  2.3686  166.212   21.051    191.570   35.390    152.327   26.188    36.552  3.6641  32.925  3.0026  3.626747       4.737219 
1 1 1 -22 1   33 o 16.437  3.1072  36.365    13.650    60.141    23.853    24.788    16.645    19.821  4.5843  13.052  4.1956  6.769025       6.214376 
1 1 1 -22 1   34 o 17.451  3.2247  44.819    14.454    54.028    25.730    40.572    17.471    18.501  5.0507  16.401  4.0106  2.100058       6.449390 
1 1 1 -22 1   35 o 26.631  2.9864  106.874   19.251    104.280   33.303    108.176   23.592    25.829  4.9944  27.432  3.2756  -1.602682      5.972728 
1 1 1 -22 1   36 o 12.021  3.3718  15.687    15.011    18.423    28.013    14.586    17.779    12.937  5.2269  11.105  4.2609  1.831218       6.743604 
1 1 1 -22 1   37 o 21.965  5.4494  80.590    31.907    80.590    31.907    0.0000    0.0000    21.965  5.4494  ?       ?       ?              ?        
1 1 1 -22 1   38 o 21.408  3.4185  68.938    17.837    93.838    33.201    58.835    21.149    23.493  5.3905  19.323  4.2056  4.170397       6.837027 
1 1 1 -22 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 2   6  o 128.239 2.7874  2217.21   95.675    2268.63   138.450   2170.21   132.364   129.650 3.9869  126.828 3.8964  2.821686       5.574714 
1 1 1 -22 2   7  o 101.052 2.3530  1378.92   63.494    1311.45   91.982    1440.32   87.755    98.658  3.4808  103.446 3.1672  -4.787605      4.706078 
1 1 1 -22 2   8  o 62.197  1.8147  518.073   30.149    542.932   44.671    497.278   40.858    63.558  2.6240  60.837  2.5074  2.721466       3.629387 
1 1 1 -22 2   9  o 14.511  2.0268  35.431    8.4136    1.5431    13.421    57.370    10.799    8.4423  3.5350  20.581  1.9836  -12.13834      4.053528 
1 1 1 -22 2   10 o 8.4646  2.0285  4.4367    6.0388    17.699    10.130    -2.8752   7.5216    11.317  3.1994  5.6121  2.4946  5.704930       4.057011 
1 1 1 -22 2   11 o 68.031  1.9362  616.659   35.112    695.177   52.728    554.104   47.064    71.885  2.7385  64.178  2.7379  7.706909       3.872377 
1 1 1 -22 2   12 o 52.851  1.8162  372.994   25.588    402.696   38.551    349.605   34.210    54.713  2.6306  50.989  2.5049  3.723492       3.632436 
1 1 1 -22 2   13 o 44.362  1.8586  269.286   21.631    238.485   32.501    293.776   28.981    41.976  2.9087  46.748  2.3145  -4.772297      3.717186 
1 1 1 -22 2   14 o 46.784  1.8169  291.212   22.529    347.203   33.967    247.234   30.103    50.796  2.4965  42.772  2.6406  8.024208       3.633887 
1 1 1 -22 2   15 o 28.009  1.8643  104.243   13.615    131.829   20.946    84.061    17.916    31.190  2.5290  24.828  2.7398  6.362602       3.728580 
1 1 1 -22 2   16 o 64.382  1.9929  558.576   34.265    566.871   50.610    551.556   46.559    64.806  2.9156  63.957  2.7178  0.8487740      3.985897 
1 1 1 -22 2   17 o 66.422  2.0592  599.799   36.360    555.748   53.536    637.516   49.538    64.102  3.1181  68.742  2.6905  -4.640053      4.118377 
1 1 1 -22 2   18 o 64.706  2.0139  562.625   34.803    612.293   51.612    521.211   47.129    67.307  2.8629  62.106  2.8332  5.201817       4.027759 
1 1 1 -22 2   19 o 53.731  1.9697  390.077   28.119    404.052   42.132    378.854   37.758    54.573  2.8927  52.889  2.6740  1.683834       3.939321 
1 1 1 -22 2   20 o 49.611  2.4378  331.419   29.164    348.265   54.728    324.739   34.465    50.276  4.0998  48.945  2.6386  1.330898       4.875512 
1 1 1 -22 2   21 o 35.115  2.2959  170.281   21.081    178.968   28.227    159.323   31.702    36.217  2.9350  34.013  3.5313  2.203419       4.591760 
1 1 1 -22 2   22 o 12.808  2.6626  23.532    9.8939    15.462    16.346    28.198    12.429    11.504  4.1475  14.112  3.3402  -2.607673      5.325299 
1 1 1 -22 2   23 o 22.976  2.2938  70.982    13.467    85.652    21.775    61.896    17.137    24.843  3.3584  21.109  3.1254  3.734148       4.587698 
1 1 1 -22 2   24 o 57.808  2.0656  451.571   31.692    483.886   48.405    427.325   41.928    59.529  3.0460  56.087  2.7910  3.442757       4.131272 
1 1 1 -22 2   25 o 38.918  2.0519  204.094   20.973    228.119   32.931    187.700   27.203    40.784  3.0363  37.053  2.7608  3.731236       4.103832 
1 1 1 -22 2   26 o 44.207  2.1267  268.805   24.591    265.342   38.348    271.224   32.048    43.859  3.2882  44.556  2.6981  -0.6965179     4.253496 
1 1 1 -22 2   27 o 38.355  2.1396  199.566   21.487    221.671   33.992    184.856   27.730    40.042  3.1960  36.667  2.8457  3.374378       4.279280 
1 1 1 -22 2   28 f 16.724  2.6210  46.684    13.545    -0.0575   22.114    74.744    17.134    10.250  4.4220  23.199  2.8152  -12.94827      5.242066 
1 1 1 -22 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 2   30 o 37.003  2.3059  192.105   21.838    191.743   35.684    192.321   27.613    36.752  3.6741  37.254  2.7875  -0.5016136     4.611847 
1 1 1 -22 2   31 o 23.560  2.6712  74.200    15.674    110.180   26.792    55.479    19.326    27.669  3.7084  19.451  3.8458  8.218702       5.342461 
1 1 1 -22 2   32 o 17.093  3.1873  43.862    14.175    45.679    24.879    42.988    17.248    17.177  5.0632  17.008  3.8728  0.1687393      6.374550 
1 1 1 -22 2   33 o 18.278  3.1461  48.954    14.499    58.019    25.654    44.699    17.576    19.259  4.9470  17.297  3.8882  1.961958       6.292122 
1 1 1 -22 2   34 o 27.256  2.8620  110.208   19.294    109.825   32.320    110.419   24.050    26.790  4.6742  27.722  3.3040  -0.9322052     5.724025 
1 1 1 -22 2   35 o 13.161  3.3059  23.957    13.626    24.746    26.065    23.660    15.984    13.625  5.1755  12.696  4.1146  0.9288702      6.611795 
1 1 1 -22 2   36 o 16.065  4.3819  40.259    19.377    0.0000    0.0000    40.259    19.377    ?       ?       16.065  4.3819  ?              ?        
1 1 1 -22 2   37 o 32.612  2.8647  155.035   23.149    181.832   40.876    142.383   28.088    34.094  4.5930  31.131  3.4252  2.963135       5.729486 
1 1 1 -22 2   38 o 22.959  3.4458  82.116    19.281    103.146   35.065    73.001    23.085    24.387  5.4993  21.530  4.1536  2.857203       6.891648 
1 1 1 -22 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 3   6  o 124.430 4.5323  2210.17   141.782   1419.69   203.719   2952.73   197.448   101.281 7.5641  147.579 4.9951  -46.29787      9.064592 
1 1 1 -22 3   7  o 75.143  1.9806  759.512   39.761    754.847   58.262    763.579   54.397    74.916  2.9035  75.370  2.6946  -0.4543304     3.961189 
1 1 1 -22 3   8  o 98.114  2.2602  1291.44   59.263    1419.36   86.548    1178.50   81.317    102.680 3.1469  93.548  3.2453  9.132378       4.520486 
1 1 1 -22 3   9  o 100.575 2.3436  1361.96   63.031    1378.54   92.057    1347.32   86.482    101.135 3.3984  100.014 3.2283  1.120804       4.687298 
1 1 1 -22 3   10 o 90.577  2.1911  1098.10   52.839    1281.95   77.831    940.913   71.965    97.586  2.9776  83.568  3.2151  14.01772       4.382117 
1 1 1 -22 3   11 o 36.157  2.3299  176.392   22.444    0.0000    0.0000    176.392   22.444    ?       ?       36.157  2.3299  ?              ?        
1 1 1 -22 3   12 o 35.232  1.7787  166.716   16.563    176.622   25.186    159.168   21.986    36.139  2.6197  34.325  2.4066  1.814350       3.557303 
1 1 1 -22 3   13 o 77.556  2.1052  809.746   43.658    826.694   63.891    794.901   59.796    78.305  3.0463  76.807  2.9066  1.497513       4.210444 
1 1 1 -22 3   14 o 51.823  1.8823  362.101   25.976    363.280   38.466    361.112   35.219    51.851  2.7799  51.795  2.5387  0.5609894E-01  3.764621 
1 1 1 -22 3   15 o 43.497  1.8445  253.393   21.287    286.885   31.894    226.487   28.586    46.076  2.5949  40.918  2.6221  5.157558       3.688995 
1 1 1 -22 3   16 o 47.803  1.8864  307.545   23.958    325.244   35.891    293.320   32.176    49.028  2.7441  46.578  2.5893  2.449265       3.772889 
1 1 1 -22 3   17 o 85.757  2.2273  989.992   50.968    1119.45   74.918    878.447   69.541    90.970  3.0747  80.545  3.2234  10.42491       4.454648 
1 1 1 -22 3   18 o 30.259  1.9553  123.973   15.513    129.858   23.910    119.695   20.386    30.850  2.9288  29.669  2.5913  1.180904       3.910588 
1 1 1 -22 3   19 o 66.027  2.0652  588.328   36.388    611.669   54.233    569.217   49.074    67.191  3.0135  64.863  2.8247  2.328156       4.130324 
1 1 1 -22 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 3   21 o 40.971  2.0185  230.168   21.690    218.517   33.107    238.930   28.709    39.988  3.1157  41.955  2.5671  -1.967300      4.036989 
1 1 1 -22 3   22 o 25.397  2.2419  89.598    14.543    86.463    22.954    91.701    18.797    24.926  3.5374  25.868  2.7553  -0.9421272     4.483817 
1 1 1 -22 3   23 o 16.001  2.6565  34.528    10.877    45.152    18.296    28.721    13.527    17.788  3.9434  14.214  3.5606  3.574707       5.313022 
1 1 1 -22 3   24 f 17.118  2.3580  34.736    11.275    85.165    18.829    6.5477    14.077    24.861  2.8810  9.3743  3.7336  15.48659       4.715901 
1 1 1 -22 3   25 o 42.611  2.0779  245.328   23.252    269.303   36.598    229.099   30.111    44.284  3.1050  40.937  2.7622  3.347000       4.155867 
1 1 1 -22 3   26 o 55.109  2.1336  413.636   31.045    438.486   48.012    395.781   40.697    56.447  3.1886  53.772  2.8357  2.675484       4.267129 
1 1 1 -22 3   27 o 55.763  2.1610  423.327   31.788    460.377   49.535    397.385   41.450    57.737  3.2158  53.789  2.8875  3.947517       4.321958 
1 1 1 -22 3   28 o 15.914  2.9586  33.534    12.311    50.368    21.634    25.472    14.971    18.493  4.4265  13.336  3.9267  5.156323       5.917191 
1 1 1 -22 3   29 f 19.776  4.6998  58.473    24.528    58.473    24.528    0.0000    0.0000    19.776  4.6998  ?       ?       ?              ?        
1 1 1 -22 3   30 o 22.636  2.8542  77.613    15.761    65.396    26.255    84.495    19.706    20.785  4.8111  24.487  3.0722  -3.701511      5.708358 
1 1 1 -22 3   31 o 15.507  3.0007  38.639    13.802    16.361    23.209    50.829    17.168    12.333  4.8307  18.681  3.5611  -6.348612      6.001382 
1 1 1 -22 3   32 o 25.994  2.8273  101.339   17.884    92.768    30.142    105.996   22.218    24.657  4.7362  27.332  3.0891  -2.675747      5.654550 
1 1 1 -22 3   33 o 43.727  2.3671  266.967   26.821    300.020   43.958    247.363   33.853    45.612  3.6281  41.843  3.0413  3.768925       4.734210 
1 1 1 -22 3   34 o 20.119  3.2593  71.304    17.403    35.026    30.417    88.959    21.219    15.387  5.6407  24.851  3.2670  -9.464054      6.518548 
1 1 1 -22 3   35 o 10.332  3.0276  8.4981    13.065    -4.6325   26.129    12.875    15.086    10.250  4.5963  10.415  3.9419  -0.1644325     6.055101 
1 1 1 -22 3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 3   37 o 41.436  2.6438  248.671   27.846    288.082   47.645    228.223   34.318    43.355  4.1537  39.516  3.2718  3.838673       5.287506 
1 1 1 -22 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 4   7  o 90.924  2.1727  1111.34   52.834    1134.88   77.178    1090.59   72.481    91.819  3.1381  90.028  3.0058  1.790306       4.345396 
1 1 1 -22 4   8  o 39.155  1.8099  214.853   18.103    166.282   27.612    251.471   23.975    35.029  2.9710  43.282  2.0680  -8.253738      3.619867 
1 1 1 -22 4   9  o 91.951  2.2496  1138.62   55.293    1142.92   80.884    1134.85   75.759    92.098  3.2789  91.805  3.0809  0.2930374      4.499214 
1 1 1 -22 4   10 o 65.838  1.9485  581.820   34.278    602.003   50.577    564.672   46.619    66.884  2.8232  64.792  2.6863  2.092216       3.896976 
1 1 1 -22 4   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 4   12 o 62.822  1.9524  531.158   32.767    534.211   48.165    528.528   44.707    62.978  2.8553  62.665  2.6635  0.3127823      3.904749 
1 1 1 -22 4   13 o 32.860  1.8011  143.939   15.516    180.454   23.460    115.547   20.686    36.548  2.4100  29.173  2.6772  7.375380       3.602126 
1 1 1 -22 4   14 o 105.666 2.4896  1508.65   70.409    1567.89   102.041   1454.81   97.275    107.638 3.5393  103.695 3.5023  3.943031       4.979280 
1 1 1 -22 4   15 o 64.563  2.0298  564.437   34.905    541.609   51.556    583.756   47.428    63.324  3.0396  65.802  2.6910  -2.477959      4.059642 
1 1 1 -22 4   16 o 88.877  2.2694  1064.28   53.893    1168.73   79.087    973.719   73.637    92.940  3.1770  84.815  3.2414  8.125298       4.538728 
1 1 1 -22 4   17 o 58.704  1.9772  462.996   30.971    494.766   46.317    437.301   41.654    60.504  2.8580  56.904  2.7329  3.599823       3.954387 
1 1 1 -22 4   18 o 38.586  1.9731  204.716   19.898    187.195   30.274    218.042   26.402    37.047  3.0788  40.124  2.4686  -3.077789      3.946270 
1 1 1 -22 4   19 o 11.819  2.5657  18.136    8.7232    23.764    14.265    14.775    11.025    13.070  3.8287  10.569  3.4163  2.501199       5.131344 
1 1 1 -22 4   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 4   21 o 94.286  2.4191  1207.51   60.953    1286.12   89.978    1140.83   82.863    97.091  3.4600  91.480  3.3818  5.610405       4.838141 
1 1 1 -22 4   22 o 86.384  2.3440  1014.49   54.055    1059.01   80.404    977.782   73.018    88.062  3.4088  84.706  3.2183  3.355804       4.687975 
1 1 1 -22 4   23 o 29.156  2.1606  114.080   16.392    135.894   25.923    99.549    21.158    31.426  3.1210  26.886  2.9887  4.540823       4.321212 
1 1 1 -22 4   24 o 38.954  2.1415  209.523   21.719    201.036   33.847    215.463   28.317    38.174  3.3439  39.734  2.6763  -1.560108      4.283041 
1 1 1 -22 4   25 f 29.111  2.3835  121.185   17.399    104.079   27.669    132.374   22.377    27.156  3.9172  31.066  2.7166  -3.909239      4.767042 
1 1 1 -22 4   26 o 86.551  2.4875  1041.56   57.103    981.871   85.388    1089.84   76.804    84.077  3.7917  89.024  3.2209  -4.947037      4.975062 
1 1 1 -22 4   27 f 21.070  2.7193  62.754    14.291    67.261    23.832    60.223    17.859    21.507  4.2875  20.632  3.3462  0.8748512      5.438690 
1 1 1 -22 4   28 o 20.168  5.4578  61.944    30.201    0.0000    0.0000    61.944    30.201    ?       ?       20.168  5.4578  ?              ?        
1 1 1 -22 4   29 o 27.386  2.5374  105.325   17.551    112.766   29.102    101.071   22.003    27.951  4.0013  26.820  3.1213  1.131172       5.074785 
1 1 1 -22 4   30 o 41.233  2.2876  237.235   24.448    248.512   39.441    230.197   31.156    41.821  3.5546  40.644  2.8806  1.177429       4.575299 
1 1 1 -22 4   31 f 31.982  2.5202  146.847   20.276    146.507   33.746    147.039   25.364    31.627  4.0786  32.336  2.9614  -0.7088833     5.040305 
1 1 1 -22 4   32 o 38.709  2.4212  212.370   23.933    222.163   39.742    206.797   29.979    39.086  3.8458  38.331  2.9424  0.7553062      4.842349 
1 1 1 -22 4   33 o 44.367  2.6366  298.298   28.837    239.401   46.922    334.046   36.556    39.935  4.4630  48.800  2.8085  -8.865459      5.273195 
1 1 1 -22 4   34 o 12.030  3.0642  18.912    13.999    -6.0290   25.216    30.024    16.832    9.9811  4.4922  14.079  4.1687  -4.097411      6.128405 
1 1 1 -22 4   35 o 22.728  3.3264  74.728    18.503    102.447   33.523    62.583    22.190    25.283  5.1256  20.174  4.2412  5.109091       6.652793 
1 1 1 -22 4   36 o 18.810  5.8436  61.715    32.542    61.715    32.542    0.0000    0.0000    18.810  5.8436  ?       ?       ?              ?        
1 1 1 -22 4   37 o 26.439  3.2561  106.922   20.606    128.190   37.942    98.024    24.540    27.486  5.3462  25.392  3.7184  2.093853       6.512202 
1 1 1 -22 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 5   6  f 59.873  3.6372  485.166   58.054    0.0000    0.0000    485.166   58.054    ?       ?       59.873  3.6372  ?              ?        
1 1 1 -22 5   7  o 54.808  1.7929  403.576   26.134    404.860   39.391    402.567   34.929    54.875  2.6800  54.742  2.3822  0.1331978      3.585710 
1 1 1 -22 5   8  o 112.793 2.5355  1713.99   76.540    1773.47   110.997   1660.07   105.685   114.649 3.6145  110.936 3.5567  3.712860       5.071015 
1 1 1 -22 5   9  o 70.283  1.9925  662.805   37.448    697.840   54.923    632.369   51.192    72.010  2.8476  68.556  2.7879  3.454224       3.985059 
1 1 1 -22 5   10 o 100.025 2.3801  1347.98   63.726    1397.57   92.164    1302.55   88.210    101.783 3.3806  98.268  3.3513  3.515152       4.760264 
1 1 1 -22 5   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 5   12 o 68.178  2.0003  622.702   36.399    700.573   53.597    556.043   49.588    72.120  2.7746  64.237  2.8821  7.882973       4.000570 
1 1 1 -22 5   13 o 78.482  2.1658  833.399   45.347    802.407   66.407    860.477   62.073    77.081  3.2165  79.883  2.9011  -2.802704      4.331501 
1 1 1 -22 5   14 o 44.898  1.8610  269.409   22.148    310.607   33.381    237.012   29.602    47.943  2.6093  41.854  2.6543  6.089069       3.722068 
1 1 1 -22 5   15 o 81.659  2.2250  903.399   48.489    881.172   71.178    922.646   66.235    80.683  3.2936  82.636  2.9925  -1.953606      4.450048 
1 1 1 -22 5   16 o 29.060  1.9169  112.109   14.551    138.479   22.680    93.663    18.969    31.921  2.6774  26.199  2.7439  5.722916       3.833722 
1 1 1 -22 5   17 o 44.243  1.9468  266.199   22.723    260.577   34.455    270.526   30.228    43.784  2.9552  44.702  2.5351  -0.9174194     3.893567 
1 1 1 -22 5   18 o 23.555  2.3990  82.984    13.532    52.939    20.796    105.047   17.821    19.312  4.1443  27.797  2.4176  -8.485264      4.797922 
1 1 1 -22 5   19 o 34.305  1.9651  157.283   17.721    184.218   27.498    138.152   23.175    36.777  2.8128  31.833  2.7448  4.944099       3.930125 
1 1 1 -22 5   20 o 43.243  2.3296  257.177   26.471    264.793   35.249    247.326   40.089    44.063  3.0046  42.422  3.5611  1.640854       4.659262 
1 1 1 -22 5   21 o 79.319  2.2672  855.924   47.943    866.737   71.514    847.097   64.613    79.713  3.3495  78.925  3.0564  0.7881393      4.534382 
1 1 1 -22 5   22 o 42.857  2.0860  252.321   23.396    242.823   36.142    259.173   30.696    42.072  3.2319  43.643  2.6383  -1.570999      4.172076 
1 1 1 -22 5   23 o 43.206  2.0672  253.499   23.447    265.939   36.689    244.909   30.485    44.034  3.1311  42.378  2.6998  1.655769       4.134300 
1 1 1 -22 5   24 o 40.524  2.0624  219.644   21.939    260.868   34.634    192.015   28.353    43.616  2.9825  37.431  2.8494  6.185097       4.124837 
1 1 1 -22 5   25 o 72.585  2.2837  722.681   44.021    731.548   66.891    715.907   58.467    72.863  3.4275  72.307  3.0188  0.5550385      4.567369 
1 1 1 -22 5   26 o 38.162  2.2094  202.175   21.832    198.537   34.669    204.566   28.105    37.732  3.4692  38.592  2.7367  -0.8591385     4.418732 
1 1 1 -22 5   27 o 24.205  2.7050  86.514    16.113    73.171    26.032    94.801    20.515    22.325  4.5085  26.084  2.9903  -3.758705      5.410045 
1 1 1 -22 5   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 5   29 o 48.131  2.3205  327.541   28.918    313.986   45.909    336.457   37.233    47.017  3.6747  49.244  2.8348  -2.227898      4.641064 
1 1 1 -22 5   30 o 25.780  2.6301  92.981    17.101    109.746   28.658    83.710    21.312    27.389  4.0266  24.170  3.3847  3.218834       5.260252 
1 1 1 -22 5   31 o 38.801  2.4091  211.353   24.012    229.706   39.717    200.780   30.144    39.852  3.7655  37.751  3.0061  2.100658       4.818223 
1 1 1 -22 5   32 o 37.677  2.3831  192.659   23.106    252.627   38.713    159.474   28.798    41.941  3.4775  33.412  3.2594  8.528458       4.766218 
1 1 1 -22 5   33 o 19.855  3.2712  57.813    16.015    71.470    29.251    51.966    19.139    21.132  5.2026  18.577  3.9670  2.555031       6.542453 
1 1 1 -22 5   34 o 16.619  3.4934  42.145    15.889    49.768    28.094    38.561    19.266    17.472  5.4299  15.766  4.3967  1.706054       6.986762 
1 1 1 -22 5   35 o 19.581  6.4843  69.090    39.614    0.0000    0.0000    69.090    39.614    ?       ?       19.581  6.4843  ?              ?        
1 1 1 -22 5   36 o 12.611  2.9697  22.335    15.159    -24.4221  28.046    41.634    18.018    8.9717  4.2678  16.250  4.1307  -7.278587      5.939443 
1 1 1 -22 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 6   6  o 80.482  2.8885  883.186   61.645    791.338   89.357    966.599   85.155    76.340  4.3885  84.625  3.7568  -8.285286      5.776910 
1 1 1 -22 6   7  o 46.855  1.7976  296.435   22.324    291.867   33.420    300.116   29.998    46.509  2.6943  47.202  2.3804  -0.6928406     3.595176 
1 1 1 -22 6   8  o 120.250 2.6750  1951.84   86.118    2003.17   124.098   1904.17   119.605   121.767 3.8049  118.732 3.7609  3.035179       5.349945 
1 1 1 -22 6   9  o 61.950  1.9317  515.739   31.987    527.062   46.969    505.945   43.683    62.576  2.8023  61.325  2.6594  1.251030       3.863337 
1 1 1 -22 6   10 o 58.681  1.8950  460.399   29.672    519.331   43.876    410.735   40.278    62.124  2.6368  55.239  2.7223  6.884365       3.789964 
1 1 1 -22 6   11 o 25.198  1.9121  87.711    12.435    78.822    18.926    94.465    16.496    23.995  3.0110  26.401  2.3575  -2.405056      3.824113 
1 1 1 -22 6   12 o 71.771  2.1019  698.373   40.155    654.264   58.988    736.466   54.817    69.615  3.1635  73.928  2.7684  -4.313210      4.203783 
1 1 1 -22 6   13 o 35.718  1.8502  171.980   17.475    180.071   26.411    165.679   23.307    36.449  2.7249  34.988  2.5035  1.461407       3.700411 
1 1 1 -22 6   14 o 33.841  1.8639  153.198   16.638    173.999   25.475    137.725   21.971    35.823  2.6742  31.860  2.5972  3.962622       3.727865 
1 1 1 -22 6   15 o 51.162  1.9500  354.527   26.445    353.356   39.711    355.460   35.448    51.053  2.9161  51.271  2.5897  -0.2178726     3.900023 
1 1 1 -22 6   16 o 18.597  2.2474  48.299    10.608    47.148    16.553    49.101    13.819    18.337  3.4979  18.857  2.8227  -0.5202427     4.494772 
1 1 1 -22 6   17 o 59.063  2.0145  469.624   31.720    496.744   47.679    448.090   42.486    60.565  2.9391  57.561  2.7557  3.003971       4.028936 
1 1 1 -22 6   18 o 71.756  2.1529  696.449   41.212    721.208   61.518    676.291   55.509    72.876  3.1516  70.635  2.9339  2.240860       4.305865 
1 1 1 -22 6   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 6   20 o 31.239  2.0774  132.686   16.888    138.784   26.650    128.594   21.831    31.782  3.1730  30.695  2.6823  1.087112       4.154788 
1 1 1 -22 6   21 o 54.348  2.0847  401.567   29.922    410.809   45.924    394.750   39.444    54.827  3.1403  53.870  2.7427  0.9572868      4.169397 
1 1 1 -22 6   22 o 50.466  2.1070  348.662   27.959    344.035   43.081    352.029   36.750    50.088  3.2283  50.844  2.7083  -0.7558365     4.213910 
1 1 1 -22 6   23 o 68.760  2.2007  642.457   40.229    675.812   61.323    617.256   53.302    70.251  3.2590  67.269  2.9583  2.981964       4.401429 
1 1 1 -22 6   24 o 32.748  2.1647  143.427   18.432    173.553   29.682    124.516   23.517    35.452  3.1589  30.045  2.9607  5.406441       4.329473 
1 1 1 -22 6   25 o 19.121  2.7054  49.253    13.006    67.536    21.917    39.315    16.159    21.722  3.9108  16.519  3.7392  5.202801       5.410734 
1 1 1 -22 6   26 o 14.246  2.9719  28.131    11.642    33.263    20.008    25.505    14.314    15.160  4.5579  13.332  3.8151  1.827552       5.943895 
1 1 1 -22 6   27 o 16.805  3.8251  41.160    16.831    0.0000    0.0000    41.160    16.831    ?       ?       16.805  3.8251  ?              ?        
1 1 1 -22 6   28 o 15.426  2.7578  38.794    13.695    -0.2580   23.174    59.750    16.976    10.350  4.4957  20.503  3.1953  -10.15318      5.515541 
1 1 1 -22 6   29 o 38.849  2.3033  203.550   23.136    257.462   38.381    172.776   28.997    42.655  3.3872  35.044  3.1220  7.610619       4.606521 
1 1 1 -22 6   30 o 37.236  2.4004  193.099   22.959    216.388   38.143    179.867   28.751    38.743  3.7214  35.728  3.0330  3.014347       4.800858 
1 1 1 -22 6   31 o 14.399  3.2788  27.923    13.393    41.509    24.850    22.361    15.900    16.330  5.1120  12.469  4.1071  3.860459       6.557548 
1 1 1 -22 6   32 o 28.231  2.7730  115.665   19.181    123.722   33.543    111.751   23.381    28.523  4.5429  27.939  3.1812  0.5842018      5.545969 
1 1 1 -22 6   33 o 19.573  3.3899  64.251    17.236    46.914    30.840    72.126    20.785    17.026  5.7232  22.119  3.6346  -5.092432      6.779744 
1 1 1 -22 6   34 o 47.605  2.5641  328.630   31.049    341.523   52.153    321.551   38.644    47.749  4.1181  47.462  3.0561  0.2871971      5.128201 
1 1 1 -22 6   35 o 19.412  5.8867  66.354    33.270    66.354    33.270    0.0000    0.0000    19.412  5.8867  ?       ?       ?              ?        
1 1 1 -22 6   36 o 20.296  3.5253  75.428    18.952    51.790    34.081    86.009    22.802    16.847  5.9979  23.745  3.7063  -6.897503      7.050617 
1 1 1 -22 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 7   5  o 39.325  1.7984  186.180   17.391    270.870   33.412    154.711   20.367    44.786  2.7994  33.864  2.2584  10.92163       3.596760 
1 1 1 -22 7   6  o 46.765  1.7997  293.598   22.399    312.547   33.181    277.732   30.362    48.145  2.5824  45.386  2.5073  2.759499       3.599382 
1 1 1 -22 7   7  o 52.628  1.8574  369.836   25.965    432.485   38.585    317.984   35.103    56.714  2.5400  48.542  2.7107  8.171646       3.714767 
1 1 1 -22 7   8  f 83.372  2.1902  935.419   48.827    958.800   71.481    914.966   66.855    84.336  3.1644  82.408  3.0288  1.927849       4.380311 
1 1 1 -22 7   9  o 79.179  2.1687  847.788   45.791    811.398   67.106    879.498   62.642    77.555  3.2304  80.802  2.8944  -3.246689      4.337399 
1 1 1 -22 7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 7   11 o 18.618  2.0338  47.259    9.7058    51.358    15.117    44.385    12.660    19.284  3.0264  17.953  2.7177  1.331314       4.067522 
1 1 1 -22 7   12 o 24.576  1.8883  80.755    12.100    97.233    18.612    68.693    15.925    26.736  2.6332  22.416  2.7071  4.320387       3.776572 
1 1 1 -22 7   13 o 96.705  2.4041  1265.53   62.161    1282.20   90.914    1250.90   85.183    97.274  3.4894  96.136  3.3081  1.138031       4.808244 
1 1 1 -22 7   14 f 52.354  1.9545  370.109   27.151    379.817   40.883    362.448   36.317    52.942  2.8940  51.767  2.6278  1.174507       3.909050 
1 1 1 -22 7   15 o 16.346  2.3680  38.727    9.8402    31.361    15.422    43.785    12.780    14.896  3.8406  17.796  2.7713  -2.900181      4.736019 
1 1 1 -22 7   16 o 16.546  2.3650  37.862    9.9405    41.655    15.909    35.432    12.732    17.188  3.5721  15.903  3.1005  1.285488       4.729968 
1 1 1 -22 7   17 o 41.716  1.9570  235.247   21.552    246.135   33.030    227.175   28.439    42.521  2.9178  40.911  2.6089  1.610302       3.914037 
1 1 1 -22 7   18 o 8.4676  2.2359  1.2604    7.3457    17.030    12.534    -6.9904   9.0659    11.303  3.6415  5.6327  2.5953  5.669880       4.471709 
1 1 1 -22 7   19 f 87.080  2.8089  1032.52   64.194    998.287   82.324    1085.62   102.536   85.450  3.5969  88.711  4.3153  -3.261536      5.617779 
1 1 1 -22 7   20 o 60.748  2.1543  506.123   34.528    480.084   52.354    526.167   45.934    59.223  3.3137  62.272  2.7539  -3.048363      4.308696 
1 1 1 -22 7   21 o 29.169  2.1786  116.670   16.398    119.764   26.133    114.661   21.060    29.409  3.3789  28.929  2.7510  0.4795094      4.357187 
1 1 1 -22 7   22 o 60.069  2.1624  493.364   34.332    492.814   52.530    493.774   45.360    59.910  3.2861  60.229  2.8118  -0.3185654     4.324851 
1 1 1 -22 7   23 o 36.792  2.1318  183.796   20.478    199.426   32.523    173.527   26.360    38.009  3.2250  35.575  2.7887  2.433941       4.263519 
1 1 1 -22 7   24 o 64.212  2.2045  561.601   37.554    597.972   57.900    535.189   49.340    65.908  3.2798  62.516  2.9466  3.392082       4.409032 
1 1 1 -22 7   25 o 29.608  2.3195  118.573   17.652    140.130   29.052    105.957   22.224    31.618  3.4885  27.598  3.0580  4.020149       4.639089 
1 1 1 -22 7   26 o 35.024  2.2772  169.296   20.693    180.671   33.133    162.021   26.497    35.861  3.4938  34.187  2.9217  1.674221       4.554431 
1 1 1 -22 7   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 7   28 o 27.739  2.5655  109.185   17.887    114.637   29.828    106.123   22.352    28.038  4.0923  27.440  3.0953  0.5988235      5.131078 
1 1 1 -22 7   29 o 9.5523  2.8057  5.3404    11.083    5.9621    19.985    5.0642    13.319    10.346  4.3213  8.7589  3.5799  1.586817       5.611492 
1 1 1 -22 7   30 o 19.185  3.1015  51.804    14.746    70.318    26.613    43.602    17.714    21.322  4.7782  17.049  3.9555  4.273298       6.203011 
1 1 1 -22 7   31 o 10.684  2.7820  13.160    11.730    -10.3762  21.498    23.138    13.998    8.8355  4.0433  12.533  3.8223  -3.697663      5.564050 
1 1 1 -22 7   32 o 30.505  2.8942  142.919   21.176    124.124   35.978    152.881   26.194    28.215  4.9407  32.796  3.0157  -4.580744      5.788390 
1 1 1 -22 7   33 o 20.841  3.3816  74.703    18.088    49.902    31.649    86.732    22.042    17.353  5.7980  24.328  3.4818  -6.974995      6.763108 
1 1 1 -22 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 7   35 o 9.0637  2.7561  -23.0470  11.422    27.888    23.993    -37.9753  12.989    13.519  5.0007  4.6081  2.3187  8.911158       5.512147 
1 1 1 -22 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 8   5  o 38.888  1.7291  204.643   17.844    196.871   26.149    211.417   24.411    38.177  2.5722  39.599  2.3116  -1.422531      3.458255 
1 1 1 -22 8   6  o 45.336  1.8373  276.381   22.143    288.916   32.948    266.056   29.903    46.264  2.6702  44.409  2.5244  1.855095       3.674566 
1 1 1 -22 8   7  o 73.770  2.1167  732.978   41.695    736.912   61.511    729.634   56.711    73.936  3.1060  73.604  2.8766  0.3318787      4.233458 
1 1 1 -22 8   8  o 51.558  1.8833  354.674   25.824    400.571   38.872    318.415   34.551    54.551  2.6603  48.564  2.6663  5.987385       3.766539 
1 1 1 -22 8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 8   10 o 66.927  2.0110  599.522   35.918    661.798   53.564    548.639   48.417    70.060  2.8544  63.793  2.8336  6.267193       4.022053 
1 1 1 -22 8   11 o 11.094  2.1926  17.793    7.0683    9.3032    11.446    23.027    8.9867    9.3561  3.4553  12.833  2.7000  -3.476578      4.385146 
1 1 1 -22 8   12 o 94.383  2.4059  1208.81   60.614    1176.86   88.790    1236.69   82.949    93.163  3.5582  95.603  3.2393  -2.439507      4.811846 
1 1 1 -22 8   13 o 7.5054  2.0817  1.4963    6.2404    10.465    10.413    -3.5303   7.7954    9.3985  3.3186  5.6123  2.5140  3.786203       4.163334 
1 1 1 -22 8   14 o 20.111  2.1472  53.739    10.890    76.396    17.223    38.649    14.055    23.619  2.7754  16.602  3.2771  7.016903       4.294379 
1 1 1 -22 8   15 o 50.433  2.0024  346.617   26.652    331.573   40.400    358.210   35.464    49.367  3.0705  51.499  2.5710  -2.132137      4.004790 
1 1 1 -22 8   16 o 37.609  1.9433  189.991   19.251    209.450   29.845    176.125   25.193    39.222  2.8606  35.997  2.6311  3.224861       3.886655 
1 1 1 -22 8   17 o 44.483  1.9814  267.507   23.263    280.831   35.790    257.761   30.610    45.400  2.9594  43.566  2.6356  1.834339       3.962892 
1 1 1 -22 8   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 8   19 o 27.047  2.3558  106.843   15.547    80.755    24.701    123.960   20.008    23.932  3.9941  30.161  2.4992  -6.228456      4.711548 
1 1 1 -22 8   20 o 30.831  2.1114  126.087   16.885    155.113   27.330    108.167   21.474    33.604  3.0703  28.057  2.8992  5.547358       4.222846 
1 1 1 -22 8   21 o 39.354  2.2189  219.242   22.289    183.396   34.738    244.324   29.058    36.357  3.6152  42.351  2.5739  -5.993977      4.437834 
1 1 1 -22 8   22 o 5.8297  1.9159  -10.7360  7.5565    -24.4174  12.577    -3.0067   9.4530    5.3205  2.6072  6.3390  2.8082  -1.018450      3.831862 
1 1 1 -22 8   23 o 24.397  2.4997  85.394    15.134    77.407    24.631    90.239    19.182    23.246  4.1060  25.547  2.8520  -2.300528      4.999315 
1 1 1 -22 8   24 o 57.292  2.1832  447.415   32.957    485.889   51.612    420.927   42.825    59.255  3.2645  55.330  2.8998  3.924412       4.366403 
1 1 1 -22 8   25 o 27.955  2.7106  117.971   18.132    89.499    29.676    134.931   22.904    24.665  4.6628  31.244  2.7654  -6.578972      5.421195 
1 1 1 -22 8   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 8   27 o 20.523  2.8605  56.856    14.696    85.241    25.227    42.276    18.080    24.159  4.0411  16.887  4.0495  7.272202       5.720946 
1 1 1 -22 8   28 o 16.607  3.1572  42.046    13.708    39.163    24.901    43.300    16.420    16.060  5.1285  17.153  3.6839  -1.092768      6.314438 
1 1 1 -22 8   29 o 39.419  2.3488  211.058   23.912    269.516   39.803    178.046   29.911    43.422  3.4508  35.416  3.1873  8.006042       4.697505 
1 1 1 -22 8   30 o 14.266  3.2405  29.630    13.256    32.838    24.192    28.254    15.846    14.801  5.0685  13.730  4.0390  1.070379       6.481005 
1 1 1 -22 8   31 o 32.215  2.6577  147.424   21.379    167.338   37.198    137.601   26.124    33.429  4.2505  31.001  3.1918  2.428080       5.315468 
1 1 1 -22 8   32 o 9.9626  2.8616  7.5829    12.562    -20.6199  25.640    16.492    14.410    8.8953  4.1859  11.030  3.9030  -2.134538      5.723185 
1 1 1 -22 8   33 o 22.241  3.4610  84.156    18.725    66.338    34.585    91.546    22.273    19.509  6.0183  24.973  3.4196  -5.464481      6.921940 
1 1 1 -22 8   34 o 23.186  3.7025  94.263    22.621    68.170    35.066    112.863   29.606    19.402  6.0724  26.970  4.2380  -7.568193      7.405022 
1 1 1 -22 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 9   4  o 101.127 2.3918  1383.03   64.638    1314.83   93.014    1446.72   89.890    98.680  3.5191  103.575 3.2402  -4.895363      4.783584 
1 1 1 -22 9   5  o 9.5050  2.1343  11.286    6.0903    15.679    9.5876    8.3135    7.8857    10.696  3.1404  8.3138  2.8912  2.382432       4.268666 
1 1 1 -22 9   6  o 23.664  1.9212  74.307    11.519    105.227   17.840    52.200    15.084    27.869  2.4137  19.459  2.9898  8.410038       3.842459 
1 1 1 -22 9   7  o 77.511  2.1873  809.587   45.257    820.366   67.009    800.546   61.367    77.963  3.2089  77.058  2.9732  0.9054260      4.374598 
1 1 1 -22 9   8  o 44.344  2.5229  274.005   25.840    254.569   49.967    281.100   30.190    43.053  4.3946  45.635  2.4792  -2.582294      5.045722 
1 1 1 -22 9   9  f 67.569  2.0642  613.497   37.195    640.952   55.712    591.417   49.961    68.911  3.0184  66.228  2.8165  2.683037       4.128308 
1 1 1 -22 9   10 o 36.501  1.9877  186.539   18.584    151.721   28.477    212.369   24.527    33.346  3.2288  39.655  2.3193  -6.309704      3.975469 
1 1 1 -22 9   11 o 27.708  1.9608  100.378   13.494    156.881   21.387    63.008    17.393    34.050  2.3595  21.365  3.1323  12.68473       3.921579 
1 1 1 -22 9   12 o 24.136  1.9887  76.637    12.323    102.230   19.657    60.065    15.817    27.386  2.7155  20.886  2.9061  6.500265       3.977365 
1 1 1 -22 9   13 o 31.273  1.9116  130.775   15.689    149.354   24.447    117.766   20.457    33.128  2.7809  29.418  2.6237  3.709213       3.823225 
1 1 1 -22 9   14 o 43.761  1.9594  259.397   22.610    264.560   34.700    255.588   29.805    44.099  2.9548  43.424  2.5740  0.6754265      3.918723 
1 1 1 -22 9   15 o 34.234  2.0168  161.238   17.965    151.855   27.775    167.986   23.555    33.297  3.1518  35.171  2.5170  -1.874359      4.033558 
1 1 1 -22 9   16 o 25.488  2.0669  87.754    13.671    98.178    21.553    80.737    17.683    26.717  3.0675  24.259  2.7711  2.457405       4.133839 
1 1 1 -22 9   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 9   18 o 83.154  2.3145  940.957   51.292    966.553   76.891    920.435   68.850    84.104  3.4133  82.205  3.1269  1.899345       4.629051 
1 1 1 -22 9   19 o 40.710  2.0657  225.978   22.006    230.146   34.480    223.113   28.584    40.955  3.1679  40.466  2.6519  0.4882126      4.131343 
1 1 1 -22 9   20 o 30.174  2.2506  127.884   17.237    116.766   27.578    135.013   22.081    28.930  3.6395  31.419  2.6486  -2.489880      4.501234 
1 1 1 -22 9   21 o 10.166  2.6215  11.461    9.7059    1.6092    15.822    17.406    12.290    9.0159  3.8100  11.316  3.6018  -2.299830      5.242952 
1 1 1 -22 9   22 f 32.541  2.4291  156.525   19.277    113.297   30.364    185.710   24.949    28.225  4.1395  36.856  2.5429  -8.631285      4.858108 
1 1 1 -22 9   23 o 22.563  2.5289  68.510    14.367    89.191    24.013    56.978    17.931    25.096  3.6817  20.030  3.4677  5.066019       5.057701 
1 1 1 -22 9   24 o 9.6569  2.7011  5.1947    9.8142    16.013    17.779    0.4540    11.770    11.665  4.3068  7.6488  3.2612  4.016244       5.402237 
1 1 1 -22 9   25 o 15.824  2.9230  39.847    13.229    18.509    22.203    51.592    16.472    12.652  4.7837  18.995  3.3605  -6.343059      5.846084 
1 1 1 -22 9   26 o 18.073  3.2017  50.599    15.868    34.600    23.916    63.178    21.207    15.369  5.0359  20.778  3.9552  -5.409019      6.403413 
1 1 1 -22 9   27 o 20.007  3.0161  68.274    15.420    33.800    26.214    86.514    19.068    15.236  5.2730  24.778  2.9297  -9.542029      6.032248 
1 1 1 -22 9   28 o 17.250  2.9668  38.255    13.471    72.105    23.963    22.614    16.289    21.928  4.2332  12.573  4.1578  9.355239       5.933581 
1 1 1 -22 9   29 o 13.123  3.1695  23.898    12.747    27.889    22.432    21.995    15.491    13.894  4.8739  12.351  4.0532  1.543263       6.339030 
1 1 1 -22 9   30 o 13.112  3.2124  18.878    12.615    41.125    24.981    11.263    14.615    16.163  5.1341  10.061  3.8626  6.101984       6.424832 
1 1 1 -22 9   31 o 14.241  3.3518  27.593    14.213    42.361    25.373    20.841    17.157    16.311  5.1735  12.171  4.2629  4.139891       6.703518 
1 1 1 -22 9   32 o 25.192  3.1832  97.240    19.306    101.478   34.352    95.283    23.341    24.940  5.3056  25.445  3.5189  -0.5057163     6.366466 
1 1 1 -22 9   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 9   34 o 25.758  3.4491  112.008   20.866    101.794   37.980    116.424   24.973    23.602  5.9960  27.915  3.4110  -4.312254      6.898274 
1 1 1 -22 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 10  2  o 30.483  1.7469  128.207   13.826    110.244   20.820    142.375   18.491    28.483  2.7638  32.483  2.1372  -4.000460      3.493790 
1 1 1 -22 10  3  f 16.443  1.9789  35.983    8.1768    54.747    12.839    23.178    10.606    20.029  2.4439  12.856  3.1131  7.172583       3.957785 
1 1 1 -22 10  4  o 20.561  1.8900  57.394    10.060    61.026    15.541    54.775    13.198    21.101  2.8203  20.022  2.5168  1.079189       3.779971 
1 1 1 -22 10  5  o 73.717  2.1263  736.069   41.753    694.432   61.247    772.219   57.069    71.729  3.1879  75.704  2.8144  -3.975571      4.252505 
1 1 1 -22 10  6  o 76.875  2.1969  797.416   45.071    800.056   66.693    795.197   61.146    76.967  3.2351  76.783  2.9731  0.1841354      4.393792 
1 1 1 -22 10  7  o 14.403  2.2080  31.035    8.3019    18.396    12.843    40.108    10.881    11.714  3.6763  17.091  2.4466  -5.377422      4.416033 
1 1 1 -22 10  8  o 40.465  1.7648  221.358   19.034    223.199   26.880    219.507   26.955    40.636  2.4815  40.293  2.5101  0.3428230      3.529670 
1 1 1 -22 10  9  o 60.769  1.9163  498.331   31.172    518.847   44.076    477.800   44.091    62.030  2.6528  59.508  2.7662  2.521961       3.832689 
1 1 1 -22 10  10 f 60.192  1.8810  488.866   30.325    491.486   42.788    486.221   42.985    60.357  2.6467  60.028  2.6734  0.3286438      3.761953 
1 1 1 -22 10  11 o 53.576  1.8191  387.901   26.034    366.858   36.664    409.299   36.972    52.066  2.6377  55.085  2.5058  -3.019287      3.638196 
1 1 1 -22 10  12 o 57.831  1.9205  453.318   29.619    488.985   41.843    417.501   41.931    60.174  2.5962  55.488  2.8307  4.685413       3.840934 
1 1 1 -22 10  13 o 79.444  2.1567  856.242   45.864    887.716   64.736    824.521   64.989    80.931  2.9864  77.958  3.1124  2.973686       4.313361 
1 1 1 -22 10  14 f 26.319  1.8116  94.484    12.607    93.035    17.622    96.004    18.042    26.112  2.5521  26.526  2.5717  -0.4135094     3.623121 
1 1 1 -22 10  15 o 53.092  1.8770  382.963   26.570    409.728   37.345    355.529   37.810    55.037  2.5333  51.146  2.7703  3.890858       3.753985 
1 1 1 -22 10  16 o 28.527  2.6436  111.159   19.970    0.0000    0.0000    111.159   19.970    ?       ?       28.527  2.6436  ?              ?        
1 1 1 -22 10  17 o 83.726  2.1935  954.713   49.187    937.751   69.260    971.973   69.866    82.969  3.1166  84.482  3.0875  -1.513641      4.387031 
1 1 1 -22 10  18 o 65.702  1.9924  586.802   35.060    583.234   49.225    590.475   49.948    65.504  2.8056  65.901  2.8297  -0.3970261     3.984782 
1 1 1 -22 10  19 o 27.458  1.9507  103.503   14.118    94.894    19.718    112.558   20.223    26.253  2.8498  28.663  2.6646  -2.409952      3.901476 
1 1 1 -22 10  20 o 31.677  1.9395  137.811   16.268    142.211   22.667    133.137   23.362    32.227  2.6494  31.126  2.8332  1.101059       3.878947 
1 1 1 -22 10  21 o 32.022  1.9165  141.219   16.227    149.503   22.566    132.351   23.350    33.043  2.5699  31.000  2.8438  2.042776       3.832951 
1 1 1 -22 10  22 o 58.703  2.0038  471.969   31.500    473.032   44.137    470.864   44.970    58.784  2.8032  58.621  2.8641  0.1627388      4.007596 
1 1 1 -22 10  23 o 42.754  1.9469  251.577   22.173    248.400   31.037    254.889   31.689    42.482  2.7423  43.026  2.7644  -0.5440140     3.893835 
1 1 1 -22 10  24 o 27.450  2.9847  108.908   18.740    109.582   36.036    108.658   21.941    27.000  5.1713  27.901  2.9821  -0.9015999     5.969475 
1 1 1 -22 10  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 10  26 o 12.816  3.0060  23.770    12.279    13.501    21.073    29.049    15.109    11.612  4.5858  14.021  3.8877  -2.409786      6.011974 
1 1 1 -22 10  27 o 8.5552  2.6108  1.3930    10.273    -6.5599   19.614    4.3997    12.060    8.7972  3.9604  8.3131  3.4031  0.4841175      5.221604 
1 1 1 -22 10  28 o 27.637  2.6796  108.271   18.397    124.182   31.930    100.363   22.509    28.820  4.2652  26.454  3.2447  2.366150       5.359103 
1 1 1 -22 10  29 o 23.783  2.8581  79.093    16.759    104.372   29.584    67.148    20.336    26.250  4.3606  21.315  3.6960  4.935064       5.716219 
1 1 1 -22 10  30 o 13.107  3.1187  16.472    13.133    47.314    24.072    3.4010    15.671    17.237  4.9520  8.9772  3.7925  8.260121       6.237406 
1 1 1 -22 10  31 o 22.731  3.4038  83.244    18.500    77.704    34.338    85.510    21.959    21.351  5.8372  24.111  3.5028  -2.760063      6.807509 
1 1 1 -22 10  32 o 35.013  3.2557  178.355   30.183    0.0000    0.0000    178.355   30.183    ?       ?       35.013  3.2557  ?              ?        
1 1 1 -22 10  33 o 35.593  3.1396  206.486   26.146    176.418   45.492    221.318   31.950    32.209  5.4687  38.978  3.0855  -6.768883      6.279125 
1 1 1 -22 11  1  o 47.652  1.6923  306.051   21.544    317.384   30.356    294.549   30.580    48.579  2.3330  46.725  2.4520  1.853867       3.384540 
1 1 1 -22 11  2  o 37.071  1.6136  185.493   15.943    185.793   22.516    185.191   22.580    37.101  2.2767  37.040  2.2871  0.6163025E-01  3.227122 
1 1 1 -22 11  3  o 51.566  1.7221  357.631   23.772    341.120   33.239    374.919   34.012    50.345  2.4649  52.786  2.4056  -2.441422      3.444244 
1 1 1 -22 11  4  o 88.187  2.1850  1049.48   51.601    1022.93   72.244    1077.12   73.729    87.047  3.0985  89.327  3.0815  -2.279938      4.369995 
1 1 1 -22 11  5  o 47.623  1.7837  306.143   22.664    301.512   31.580    311.061   32.547    47.254  2.5040  47.993  2.5409  -0.7387276     3.567411 
1 1 1 -22 11  6  o 48.668  3.9053  323.636   50.479    0.0000    0.0000    323.636   50.479    ?       ?       48.668  3.9053  ?              ?        
1 1 1 -22 11  7  o 58.346  1.9116  459.224   29.871    464.166   42.051    454.190   42.440    58.667  2.6760  58.025  2.7306  0.6421585      3.823294 
1 1 1 -22 11  8  o 33.662  1.7490  153.547   15.644    145.151   21.996    162.141   22.254    32.717  2.5297  34.607  2.4160  -1.890419      3.498059 
1 1 1 -22 11  9  o 100.036 2.4010  1357.64   64.326    1335.11   91.034    1380.12   90.908    99.196  3.4263  100.877 3.3645  -1.681580      4.802003 
1 1 1 -22 11  10 o 39.630  1.7756  212.841   18.732    201.919   26.421    223.879   26.561    38.592  2.5707  40.667  2.4499  -2.074810      3.551143 
1 1 1 -22 11  11 o 45.203  1.8066  276.836   21.784    277.550   30.728    276.115   30.886    45.264  2.5449  45.142  2.5649  0.1216202      3.613200 
1 1 1 -22 11  12 o 51.468  1.8756  358.897   25.793    370.442   36.372    347.217   36.583    52.347  2.5941  50.588  2.7097  1.758938       3.751225 
1 1 1 -22 11  13 o 64.016  2.0381  555.740   34.943    561.613   49.271    549.797   49.564    64.363  2.8580  63.669  2.9063  0.6938286      4.076175 
1 1 1 -22 11  14 o 43.323  1.8360  255.177   21.188    264.524   29.772    245.585   30.159    44.147  2.5284  42.500  2.6628  1.646290       3.671919 
1 1 1 -22 11  15 o 26.572  1.8861  96.650    13.238    97.788    18.578    95.477    18.868    26.741  2.6278  26.403  2.7062  0.3373756      3.772101 
1 1 1 -22 11  16 o 59.049  2.3190  477.848   34.966    480.175   43.628    473.667   58.466    59.476  2.7387  58.622  3.7431  0.8539047      4.637970 
1 1 1 -22 11  17 o 82.344  2.2064  925.087   48.656    902.781   68.366    947.982   69.263    81.330  3.1384  83.359  3.1022  -2.029091      4.412792 
1 1 1 -22 11  18 o 79.228  2.1545  857.042   45.719    855.571   64.371    858.540   64.946    79.165  3.0358  79.291  3.0580  -0.1261444     4.308985 
1 1 1 -22 11  19 o 57.914  1.9674  457.067   30.515    447.901   42.775    466.565   43.545    57.322  2.7860  58.507  2.7787  -1.184795      3.934844 
1 1 1 -22 11  20 o 28.602  1.9502  112.329   14.656    96.706    20.171    129.801   21.332    26.444  2.8951  30.761  2.6138  -4.316916      3.900461 
1 1 1 -22 11  21 o 44.900  1.9299  276.886   23.077    285.390   32.313    268.034   32.968    45.635  2.6550  44.164  2.8015  1.470879       3.859702 
1 1 1 -22 11  22 o 32.482  1.9588  145.520   16.748    123.853   23.152    169.305   24.257    29.873  2.9311  35.090  2.5994  -5.216640      3.917682 
1 1 1 -22 11  23 f 25.334  2.1161  89.833    14.062    90.473    19.452    89.132    20.352    25.460  2.9044  25.207  3.0784  0.2535076      4.232287 
1 1 1 -22 11  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 11  25 o 8.8579  2.2488  2.7920    8.5853    20.283    12.005    -15.5201  12.283    11.859  3.5226  5.8565  2.7965  6.002751       4.497683 
1 1 1 -22 11  26 o 14.470  2.6604  31.174    11.112    45.606    15.591    16.276    15.841    17.680  3.4160  11.260  4.0794  6.420741       5.320741 
1 1 1 -22 11  27 o 41.171  2.0437  238.408   22.388    235.086   31.217    241.924   32.125    40.889  2.8685  41.452  2.9119  -0.5632019     4.087486 
1 1 1 -22 11  28 o 23.751  2.3587  81.824    14.563    85.039    20.336    78.441    20.865    24.305  3.2017  23.196  3.4644  1.109455       4.717330 
1 1 1 -22 11  29 o 28.591  2.2885  117.808   17.177    125.544   24.299    110.079   24.285    29.614  3.1098  27.567  3.3584  2.046776       4.577080 
1 1 1 -22 11  30 o 26.612  3.2414  113.527   20.476    98.004    35.604    121.199   25.029    24.306  5.5858  28.918  3.2900  -4.611088      6.482726 
1 1 1 -22 11  31 o 20.223  3.4116  68.370    17.366    58.833    31.576    72.506    20.793    18.448  5.7604  21.998  3.6573  -3.550032      6.823288 
1 1 1 -22 11  32 o 28.451  3.6882  139.626   26.264    107.358   40.054    163.963   34.786    24.272  6.1528  32.629  4.0686  -8.357769      7.376315 
1 1 1 -22 12  1  o 85.458  2.1030  986.301   48.107    1019.74   67.734    952.260   68.336    86.935  2.9089  83.981  3.0380  2.954208       4.206033 
1 1 1 -22 12  2  o 52.531  1.7391  371.554   24.445    349.909   34.304    393.885   34.844    50.970  2.5127  54.091  2.4050  -3.120949      3.478153 
1 1 1 -22 12  3  o 21.346  1.7458  62.221    9.7469    55.223    13.631    69.542    13.943    20.080  2.5952  22.611  2.3358  -2.531458      3.491505 
1 1 1 -22 12  4  o 42.145  1.7233  239.878   19.364    231.979   27.035    248.199   27.748    41.429  2.4472  42.861  2.4270  -1.431965      3.446617 
1 1 1 -22 12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 12  6  o 52.341  1.8325  370.085   25.577    337.260   35.810    404.267   36.543    49.920  2.6881  54.761  2.4914  -4.841270      3.665059 
1 1 1 -22 12  7  o 58.187  1.8949  457.073   29.523    442.087   41.542    472.368   41.966    57.218  2.7106  59.156  2.6486  -1.938122      3.789741 
1 1 1 -22 12  8  o 25.593  1.8054  89.288    12.187    82.762    17.103    96.018    17.369    24.620  2.6344  26.567  2.4692  -1.947090      3.610705 
1 1 1 -22 12  9  o 20.486  1.9359  57.814    10.323    53.068    14.590    62.572    14.609    19.604  2.8631  21.368  2.6065  -1.764320      3.871828 
1 1 1 -22 12  10 o 56.512  1.9262  432.073   29.155    437.099   41.260    427.061   41.204    56.843  2.7100  56.180  2.7382  0.6624298      3.852478 
1 1 1 -22 12  11 o 43.325  1.8355  254.879   21.183    267.112   29.986    242.693   29.929    44.380  2.5331  42.269  2.6570  2.110828       3.670943 
1 1 1 -22 12  12 o 41.395  1.8446  232.851   20.345    237.285   28.764    228.411   28.779    41.797  2.5820  40.993  2.6351  0.8038635      3.689208 
1 1 1 -22 12  13 o 18.142  2.0810  45.850    9.7458    42.082    13.721    49.686    13.845    17.345  3.0656  18.939  2.8149  -1.593615      4.161908 
1 1 1 -22 12  14 o 50.598  1.9270  348.317   26.020    347.682   36.722    348.958   36.873    50.552  2.7221  50.643  2.7284  -0.9111786E-01 3.854057 
1 1 1 -22 12  15 o 45.873  2.6092  286.296   31.927    286.296   31.927    0.0000    0.0000    45.873  2.6092  ?       ?       ?              ?        
1 1 1 -22 12  16 o 47.045  1.9189  301.739   24.076    299.476   34.109    303.986   33.990    46.864  2.7291  47.226  2.6982  -0.3621750     3.837785 
1 1 1 -22 12  17 o 24.733  2.0109  84.462    13.040    77.527    18.346    91.545    18.539    23.664  2.9591  25.803  2.7236  -2.138548      4.021745 
1 1 1 -22 12  18 o 18.907  2.2506  50.356    10.973    52.909    15.310    47.659    15.736    19.449  3.0382  18.365  3.3213  1.084492       4.501291 
1 1 1 -22 12  19 o 39.647  1.8853  215.200   19.899    209.685   27.775    221.015   28.523    39.123  2.6665  40.171  2.6661  -1.047710      3.770680 
1 1 1 -22 12  20 o 21.522  2.1570  64.884    12.077    66.134    16.898    63.578    17.268    21.759  2.9774  21.285  3.1218  0.4746571      4.314011 
1 1 1 -22 12  21 o 9.6900  2.4936  10.898    8.4823    13.770    11.553    7.5406    12.493    10.278  3.5027  9.1017  3.5500  1.176663       4.987115 
1 1 1 -22 12  22 o 39.280  1.9506  213.017   20.378    203.658   28.283    223.121   29.388    38.375  2.7702  40.186  2.7468  -1.810482      3.901131 
1 1 1 -22 12  23 o 26.454  5.4987  108.024   37.691    0.0000    0.0000    108.024   37.691    ?       ?       26.454  5.4987  ?              ?        
1 1 1 -22 12  24 o 34.557  2.0446  167.614   18.675    178.864   26.002    155.629   26.838    35.846  2.7287  33.268  3.0456  2.577518       4.089200 
1 1 1 -22 12  25 o 18.316  2.5547  49.196    12.081    44.098    16.734    54.744    17.458    17.255  3.7296  19.377  3.4922  -2.121815      5.109352 
1 1 1 -22 12  26 o 20.751  2.4432  62.693    13.089    58.514    18.143    67.229    18.900    19.987  3.5174  21.515  3.3919  -1.528059      4.886456 
1 1 1 -22 12  27 o 15.756  2.7866  37.798    11.767    41.502    16.208    33.670    17.112    16.647  3.7277  14.864  4.1430  1.783275       5.573153 
1 1 1 -22 12  28 o 14.967  2.7517  34.065    11.708    47.736    16.505    20.221    16.610    17.930  3.5624  12.003  4.1949  5.926570       5.503408 
1 1 1 -22 12  29 o 6.6095  2.1123  -9.3099   8.8266    2.4340    11.312    -27.5889  14.113    7.7007  3.2361  5.5184  2.7156  2.182220       4.224532 
1 1 1 -22 12  30 o 18.935  2.7784  56.311    13.627    69.442    18.681    41.378    19.921    21.726  3.3153  16.144  4.4594  5.581635       5.556703 
1 1 1 -22 12  31 o 37.372  3.1068  203.161   30.817    203.161   30.817    0.0000    0.0000    37.372  3.1068  ?       ?       ?              ?        
1 1 1 -22 13  1  o 100.841 2.3399  1377.24   63.192    1388.98   88.918    1365.25   89.823    101.286 3.2776  100.396 3.3403  0.8898163      4.679750 
1 1 1 -22 13  2  o 20.331  1.8452  56.633    9.8117    54.465    13.766    58.873    13.988    19.923  2.6450  20.739  2.5734  -0.8163490     3.690347 
1 1 1 -22 13  3  o 50.231  3.9944  345.771   53.297    0.0000    0.0000    345.771   53.297    ?       ?       50.231  3.9944  ?              ?        
1 1 1 -22 13  4  o 19.182  2.3597  55.342    10.844    64.551    13.571    39.084    18.033    21.760  2.3667  16.605  4.0831  5.155193       4.719431 
1 1 1 -22 13  5  o 35.224  1.7763  168.701   16.596    179.887   23.187    156.949   23.765    36.451  2.3881  33.996  2.6303  2.455063       3.552658 
1 1 1 -22 13  6  o 47.388  1.8274  303.964   23.099    293.404   32.315    314.999   33.032    46.541  2.6027  48.235  2.5659  -1.694771      3.654862 
1 1 1 -22 13  7  o 16.699  2.0805  39.133    8.9153    44.292    12.452    33.707    12.770    17.910  2.6778  15.487  3.1849  2.423823       4.161082 
1 1 1 -22 13  8  o 30.345  1.8403  125.423   14.806    128.507   20.829    122.273   21.050    30.735  2.5533  29.956  2.6508  0.7783451      3.680528 
1 1 1 -22 13  9  o 29.478  1.8549  118.529   14.457    109.043   20.322    128.247   20.570    28.255  2.7189  30.701  2.5238  -2.445976      3.709719 
1 1 1 -22 13  10 o 19.886  2.0062  54.667    10.371    51.621    14.579    57.788    14.756    19.298  2.9110  20.473  2.7613  -1.174240      4.012314 
1 1 1 -22 13  11 o 31.804  1.8441  137.874   15.571    138.153   22.024    137.594   22.016    31.837  2.6056  31.771  2.6103  0.6601334E-01  3.688175 
1 1 1 -22 13  12 o 54.337  1.9419  401.134   28.213    404.342   39.898    397.926   39.902    54.593  2.7285  54.081  2.7638  0.5113716      3.883730 
1 1 1 -22 13  13 o 21.084  2.0332  61.496    11.159    66.407    15.943    56.781    15.624    21.947  2.7742  20.222  2.9732  1.724169       4.066442 
1 1 1 -22 13  14 o 59.791  2.7825  485.999   44.562    485.999   44.562    0.0000    0.0000    59.791  2.7825  ?       ?       ?              ?        
1 1 1 -22 13  15 o 45.182  1.8891  278.525   22.735    293.285   32.193    263.840   32.110    46.402  2.6007  43.962  2.7406  2.439438       3.778176 
1 1 1 -22 13  16 o 41.710  1.8741  237.585   20.827    240.861   29.411    234.290   29.496    42.007  2.6272  41.414  2.6733  0.5928841      3.748162 
1 1 1 -22 13  17 o 37.755  1.8903  195.139   18.992    193.637   26.822    196.650   26.894    37.606  2.6804  37.903  2.6661  -0.2970734     3.780511 
1 1 1 -22 13  18 o 27.831  1.9722  107.245   14.442    115.014   20.155    99.048    20.703    28.925  2.6302  26.737  2.9393  2.187935       3.944356 
1 1 1 -22 13  19 o 22.020  2.2070  69.047    12.387    81.567    17.222    55.625    17.831    24.279  2.6936  19.760  3.4969  4.518841       4.414020 
1 1 1 -22 13  20 o 14.898  2.5444  32.070    10.076    27.467    13.984    37.041    14.531    13.772  3.7083  16.025  3.4849  -2.252286      5.088813 
1 1 1 -22 13  21 o 36.662  1.9715  186.141   19.203    185.913   26.708    186.384   27.630    36.659  2.7398  36.664  2.8356  -0.5321503E-02 3.942996 
1 1 1 -22 13  22 o 40.048  2.8180  222.839   30.036    0.0000    0.0000    222.839   30.036    ?       ?       40.048  2.8180  ?              ?        
1 1 1 -22 13  23 o 41.735  2.0107  243.296   22.312    250.540   31.106    235.619   32.022    42.431  2.7518  41.039  2.9325  1.392082       4.021466 
1 1 1 -22 13  24 o 22.029  2.3589  70.058    13.384    60.143    18.692    80.489    19.173    20.289  3.5700  23.769  3.0843  -3.479950      4.717774 
1 1 1 -22 13  25 o 12.296  2.7153  22.221    10.064    26.100    13.539    17.431    15.046    13.245  3.6829  11.346  3.9909  1.898706       5.430587 
1 1 1 -22 13  26 o 22.504  2.3939  73.678    13.978    71.480    19.521    75.991    20.024    22.146  3.3995  22.861  3.3714  -0.7146187     4.787827 
1 1 1 -22 13  27 o 21.675  2.5453  69.433    13.999    51.172    19.253    89.916    20.392    18.343  4.0290  25.007  3.1116  -6.664639      5.090655 
1 1 1 -22 13  28 o 9.7226  2.5730  7.4699    10.178    -6.3029   14.330    21.493    14.459    7.3597  3.3421  12.085  3.9131  -4.725834      5.146048 
1 1 1 -22 13  29 o 18.924  2.8487  55.079    14.019    46.515    19.442    64.356    20.234    17.229  4.2414  20.619  3.8040  -3.389366      5.697366 
1 1 1 -22 13  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 14  2  o 60.061  3.6663  492.787   58.699    492.787   58.699    0.0000    0.0000    60.061  3.6663  ?       ?       ?              ?        
1 1 1 -22 14  3  o 35.414  1.7363  170.010   16.366    166.552   23.009    173.552   23.285    35.046  2.4669  35.782  2.4441  -0.7363815     3.472620 
1 1 1 -22 14  4  o 38.790  1.7779  204.279   18.347    212.399   25.668    195.797   26.233    39.598  2.4319  37.983  2.5941  1.615311       3.555741 
1 1 1 -22 14  5  o 66.603  2.0052  600.676   35.763    602.873   50.118    598.397   51.049    66.735  2.8038  66.471  2.8673  0.2644424      4.010313 
1 1 1 -22 14  6  o 30.938  1.8345  130.301   15.057    130.114   21.028    130.499   21.570    30.921  2.5620  30.955  2.6264  -0.3367615E-01 3.669008 
1 1 1 -22 14  7  o 50.826  1.9056  350.628   25.845    341.991   36.256    359.552   36.853    50.185  2.7072  51.467  2.6826  -1.282150      3.811247 
1 1 1 -22 14  8  o 24.365  1.9138  81.318    12.263    76.333    17.102    86.595    17.595    23.577  2.7605  25.153  2.6515  -1.576498      3.827629 
1 1 1 -22 14  9  o 71.581  2.1015  696.428   40.286    681.382   56.907    711.543   57.038    70.796  3.0010  72.367  2.9427  -1.570641      4.202998 
1 1 1 -22 14  10 o 16.473  2.2615  38.566    9.5805    26.863    13.361    50.951    13.745    13.756  3.5887  19.190  2.7529  -5.434442      4.522987 
1 1 1 -22 14  11 o 19.359  2.1117  52.152    10.596    52.704    14.920    51.590    15.052    19.473  2.9533  19.246  3.0191  0.2264767      4.223400 
1 1 1 -22 14  12 o 20.726  4.7720  62.280    25.944    0.0000    0.0000    62.280    25.944    ?       ?       20.726  4.7720  ?              ?        
1 1 1 -22 14  13 o 39.730  1.9007  215.641   20.077    228.916   28.411    202.400   28.375    40.982  2.6017  38.479  2.7716  2.502342       3.801412 
1 1 1 -22 14  14 o 40.683  1.8878  226.048   20.453    231.040   28.925    221.056   28.925    41.143  2.6387  40.223  2.7005  0.9203796      3.775602 
1 1 1 -22 14  15 o 13.994  2.4451  28.051    9.2080    22.202    13.026    33.893    13.019    12.546  3.6538  15.443  3.2503  -2.896967      4.890271 
1 1 1 -22 14  16 o 70.474  2.0923  680.107   39.489    690.983   55.708    669.123   55.986    71.057  2.9270  69.891  2.9906  1.165916       4.184620 
1 1 1 -22 14  17 o 25.829  2.0806  93.405    13.942    107.271   19.521    78.966    19.920    27.913  2.6424  23.745  3.2146  4.167765       4.161294 
1 1 1 -22 14  18 o 26.183  2.0447  95.528    13.964    81.555    19.599    109.933   19.900    24.140  3.1029  28.225  2.6637  -4.084963      4.089401 
1 1 1 -22 14  19 o 14.864  2.5601  32.071    10.153    37.287    14.472    27.016    14.246    16.074  3.4636  13.654  3.7709  2.420479       5.120183 
1 1 1 -22 14  20 o 10.220  2.5951  12.312    9.2332    7.3748    12.935    17.442    13.184    9.1380  3.5979  11.301  3.7408  -2.163512      5.190231 
1 1 1 -22 14  21 o 55.314  2.9206  425.712   43.118    0.0000    0.0000    425.712   43.118    ?       ?       55.314  2.9206  ?              ?        
1 1 1 -22 14  22 o 38.851  2.0378  211.949   20.917    236.592   29.507    187.056   29.656    41.249  2.6853  36.453  3.0658  4.796124       4.075585 
1 1 1 -22 14  23 o 23.707  2.2758  80.735    14.031    83.533    19.366    77.643    20.357    24.223  3.0526  23.192  3.3761  1.031090       4.551538 
1 1 1 -22 14  24 o 17.216  2.6407  44.240    11.836    48.418    16.869    40.190    16.610    18.086  3.6088  16.347  3.8560  1.739206       5.281300 
1 1 1 -22 14  25 o 13.305  2.7657  26.512    10.491    25.437    14.341    27.749    15.388    13.040  3.8443  13.570  3.9770  -0.5295782     5.531300 
1 1 1 -22 14  26 o 40.583  2.0701  233.485   22.342    224.942   31.294    242.367   31.908    39.801  2.9566  41.365  2.8982  -1.564880      4.140170 
1 1 1 -22 14  27 o 9.3626  2.5223  5.2817    9.7836    -7.2731   13.282    20.177    14.466    6.9381  3.1762  11.787  3.9193  -4.849047      5.044662 
1 1 1 -22 14  28 o 8.7285  2.5346  3.2570    10.252    12.752    13.632    -9.1068   15.556    10.084  3.7616  7.3727  3.3980  2.711646       5.069139 
1 1 1 -22 14  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 14  30 o 11.329  4.1821  18.448    16.764    0.0000    0.0000    18.448    16.764    ?       ?       11.329  4.1821  ?              ?        
1 1 1 -22 15  1  o 51.781  1.7907  362.693   24.787    350.669   34.826    375.038   35.287    50.874  2.5640  52.688  2.5004  -1.814522      3.581372 
1 1 1 -22 15  2  o 55.702  1.8360  419.610   27.387    422.982   38.441    416.134   39.027    55.936  2.5657  55.469  2.6268  0.4671669      3.671928 
1 1 1 -22 15  3  o 42.200  1.7789  241.512   20.014    237.363   28.095    245.788   28.518    41.830  2.5193  42.570  2.5123  -0.7398567     3.557862 
1 1 1 -22 15  4  o 89.996  2.2835  1101.69   55.035    1072.81   77.161    1131.59   78.519    88.789  3.2445  91.202  3.2142  -2.413361      4.567066 
1 1 1 -22 15  5  o 10.048  1.9479  11.620    6.6606    -2.3763   9.3158    26.256    9.5268    6.4042  2.8145  13.692  2.6937  -7.287477      3.895816 
1 1 1 -22 15  6  o 19.107  2.0860  50.989    10.257    57.318    14.403    44.477    14.611    20.393  2.7035  17.820  3.1776  2.573076       4.172035 
1 1 1 -22 15  7  o 22.524  1.9718  69.866    11.640    70.244    16.380    69.481    16.545    22.591  2.7646  22.456  2.8124  0.1353016      3.943671 
1 1 1 -22 15  8  o 23.210  1.9887  74.254    12.026    64.544    16.773    84.527    17.253    21.587  2.9803  24.834  2.6340  -3.246271      3.977431 
1 1 1 -22 15  9  o 11.018  2.2362  15.657    7.6407    5.3657    10.571    26.916    11.057    8.2447  3.2506  13.792  3.0718  -5.547261      4.472387 
1 1 1 -22 15  10 o 25.111  1.9757  86.891    13.024    93.411    18.381    80.317    18.457    26.099  2.6669  24.123  2.9158  1.975927       3.951468 
1 1 1 -22 15  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 15  12 o 23.358  2.0872  75.851    12.687    83.558    17.830    67.946    18.056    24.632  2.7494  22.083  3.1412  2.548815       4.174435 
1 1 1 -22 15  13 o 12.410  2.5303  21.727    8.9146    19.088    12.700    24.290    12.517    11.761  3.6500  13.058  3.5052  -1.296846      5.060499 
1 1 1 -22 15  14 f 18.081  2.3215  46.392    10.805    42.580    15.484    50.011    15.086    17.289  3.4643  18.873  3.0914  -1.584400      4.643070 
1 1 1 -22 15  15 o 9.5180  2.4274  10.432    8.0080    13.540    11.369    7.3704    11.282    10.228  3.4747  8.8078  3.3906  1.420450       4.854827 
1 1 1 -22 15  16 o 40.287  1.9529  223.601   20.892    240.004   29.468    207.024   29.623    41.825  2.6440  38.748  2.8747  3.076893       3.905731 
1 1 1 -22 15  17 o 28.726  2.0015  114.389   15.200    114.368   21.482    114.411   21.510    28.724  2.8289  28.728  2.8323  -0.4280090E-02 4.003061 
1 1 1 -22 15  18 o 18.988  2.4297  51.878    11.870    46.332    16.903    57.273    16.672    17.886  3.6519  20.091  3.2060  -2.204893      4.859454 
1 1 1 -22 15  19 o 17.750  2.5524  46.055    11.719    37.942    16.606    54.106    16.542    16.051  3.9008  19.450  3.2929  -3.398920      5.104804 
1 1 1 -22 15  20 o 52.475  2.8907  383.450   40.473    0.0000    0.0000    383.450   40.473    ?       ?       52.475  2.8907  ?              ?        
1 1 1 -22 15  21 o 34.074  2.0591  163.345   18.511    145.015   26.069    181.987   26.290    32.039  3.0756  36.108  2.7388  -4.068104      4.118255 
1 1 1 -22 15  22 o 27.135  2.1818  104.817   15.574    104.663   22.179    104.966   21.874    27.102  3.1117  27.168  3.0592  -0.6621170E-01 4.363633 
1 1 1 -22 15  23 o 16.438  2.6574  40.097    11.652    27.262    15.869    55.110    17.163    13.482  4.0604  19.394  3.4293  -5.912450      5.314807 
1 1 1 -22 15  24 o 12.446  2.7761  22.803    10.385    20.055    14.550    25.655    14.826    11.810  3.9307  13.081  3.9214  -1.270081      5.552290 
1 1 1 -22 15  25 o 25.896  2.3216  97.234    15.663    86.868    21.886    108.117   22.425    24.364  3.4501  27.428  3.1073  -3.063614      4.643113 
1 1 1 -22 15  26 o 15.185  2.9354  35.840    12.289    37.779    16.673    33.533    18.183    15.684  3.9663  14.687  4.3284  0.9968472      5.870869 
1 1 1 -22 15  27 o 12.280  2.9832  22.250    11.856    22.783    16.370    21.663    17.193    12.368  4.1697  12.192  4.2674  0.1768818      5.966330 
1 1 1 -22 15  28 o 19.456  6.5275  72.782    40.117    0.0000    0.0000    72.782    40.117    ?       ?       19.456  6.5275  ?              ?        
1 1 1 -22 15  29 o 13.781  4.3868  30.980    18.231    0.0000    0.0000    30.980    18.231    ?       ?       13.781  4.3868  ?              ?        
1 1 1 -22 16  1  o 54.896  1.8409  408.071   27.067    407.524   38.063    408.630   38.499    54.862  2.5903  54.931  2.6166  -0.6828690E-01 3.681883 
1 1 1 -22 16  2  o 48.324  1.8179  317.011   23.443    309.962   32.940    324.246   33.370    47.775  2.5838  48.873  2.5581  -1.098114      3.635895 
1 1 1 -22 16  3  o 27.476  1.8340  103.234   13.315    96.792    18.810    109.703   18.850    26.591  2.6774  28.361  2.5073  -1.769566      3.668092 
1 1 1 -22 16  4  o 14.577  2.2191  30.086    8.4319    24.535    11.822    35.835    12.030    13.156  3.3469  15.999  2.9147  -2.843640      4.438120 
1 1 1 -22 16  5  o 35.227  1.8439  169.238   17.264    172.803   24.178    165.528   24.660    35.621  2.5510  34.833  2.6633  0.7879257      3.687870 
1 1 1 -22 16  6  o 51.710  1.9503  364.129   26.909    353.735   37.712    374.910   38.409    50.952  2.7737  52.469  2.7425  -1.517063      3.900672 
1 1 1 -22 16  7  o 24.461  1.9674  82.238    12.639    76.217    17.561    88.707    18.204    23.507  2.8471  25.416  2.7161  -1.908434      3.934894 
1 1 1 -22 16  8  o 46.866  1.9367  299.545   24.194    287.994   33.993    311.403   34.444    45.936  2.7758  47.796  2.7015  -1.859974      3.873407 
1 1 1 -22 16  9  o 4.3765  1.4814  -10.4768  5.0260    -6.5826   6.8922    -14.8996  7.3451    4.7268  2.2068  4.0262  1.9769  0.7006078      2.962748 
1 1 1 -22 16  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 16  11 o 45.961  1.9704  288.990   24.139    282.754   34.020    295.313   34.258    45.452  2.8082  46.469  2.7649  -1.017025      3.940860 
1 1 1 -22 16  12 o 58.136  2.0376  462.470   31.668    474.385   44.945    450.722   44.627    58.928  2.8476  57.344  2.9151  1.584347       4.075103 
1 1 1 -22 16  13 o 7.7984  2.2453  3.4482    7.3704    4.3847    10.717    2.6079    10.152    8.0553  3.2406  7.5416  3.1088  0.5136404      4.490680 
1 1 1 -22 16  14 o 21.775  2.2164  66.461    12.532    71.718    17.971    61.485    17.484    22.657  3.0378  20.894  3.2283  1.763367       4.432860 
1 1 1 -22 16  15 o 53.985  2.0263  401.525   29.186    391.461   41.358    411.509   41.192    53.287  2.9086  54.684  2.8220  -1.396523      4.052622 
1 1 1 -22 16  16 o 27.916  2.0684  108.634   15.186    99.284    21.397    118.123   21.556    26.646  3.0531  29.186  2.7915  -2.540560      4.136856 
1 1 1 -22 16  17 o 29.511  2.0671  121.560   16.110    117.215   22.920    125.802   22.648    28.955  2.9987  30.068  2.8460  -1.112957      4.134217 
1 1 1 -22 16  18 o 23.546  2.2574  78.688    13.837    73.090    19.516    84.347    19.622    22.640  3.3166  24.452  3.0633  -1.812050      4.514835 
1 1 1 -22 16  19 o 30.421  2.9837  130.132   23.999    0.0000    0.0000    130.132   23.999    ?       ?       30.421  2.9837  ?              ?        
1 1 1 -22 16  20 o 26.022  2.2444  96.782    15.239    106.300   21.540    87.245    21.562    27.412  2.9817  24.633  3.3553  2.779942       4.488756 
1 1 1 -22 16  21 o 17.389  2.7089  45.286    12.285    48.982    17.442    41.647    17.307    18.157  3.7117  16.620  3.9465  1.537033       5.417705 
1 1 1 -22 16  22 o 25.537  2.3196  94.222    15.414    83.711    21.554    105.225   22.052    23.959  3.4588  27.114  3.0917  -3.155266      4.639124 
1 1 1 -22 16  23 o 11.581  2.7600  18.913    10.241    22.998    14.617    14.976    14.351    12.456  3.9242  10.705  3.8821  1.750648       5.519939 
1 1 1 -22 16  24 o 12.963  2.8716  25.219    11.143    28.326    15.720    22.082    15.796    13.642  4.0258  12.284  4.0959  1.358664       5.743129 
1 1 1 -22 16  25 o 7.2315  2.2896  -5.6718   9.2327    1.9420    13.911    -11.6654  12.343    8.2929  3.5409  6.1701  2.9037  2.122841       4.579294 
1 1 1 -22 16  26 o 11.323  3.1456  15.398    14.306    -19.3128  32.835    23.530    15.894    10.159  4.7667  12.488  4.1060  -2.328558      6.291252 
1 1 1 -22 16  27 o 27.795  3.4648  115.364   25.234    0.0000    0.0000    115.364   25.234    ?       ?       27.795  3.4648  ?              ?        
1 1 1 -22 16  28 o 15.926  3.1944  40.477    14.612    59.185    22.594    27.026    19.158    18.869  4.5281  12.984  4.5070  5.885537       6.388824 
1 1 1 -22 17  1  o 39.776  1.7980  215.530   19.000    196.063   26.707    235.480   27.036    37.923  2.6458  41.630  2.4353  -3.707359      3.595954 
1 1 1 -22 17  2  o 54.526  1.8827  404.313   27.432    416.087   38.585    392.279   39.008    55.379  2.6013  53.672  2.7223  1.706409       3.765309 
1 1 1 -22 17  3  o 23.140  1.9730  73.824    11.972    77.071    16.994    70.624    16.869    23.666  2.7311  22.614  2.8481  1.051426       3.945929 
1 1 1 -22 17  4  o 35.500  1.8398  171.881   17.350    160.788   24.262    183.492   24.822    34.307  2.6612  36.693  2.5413  -2.385899      3.679664 
1 1 1 -22 17  5  o 58.448  1.9763  464.813   30.935    460.465   43.321    469.336   44.189    58.174  2.7802  58.722  2.8095  -0.5479469     3.952566 
1 1 1 -22 17  6  o 45.132  1.9373  278.809   23.237    298.926   32.591    258.009   33.140    46.838  2.6082  43.426  2.8652  3.412170       3.874532 
1 1 1 -22 17  7  o 13.134  2.4358  24.567    8.6765    25.267    12.162    23.842    12.381    13.317  3.3985  12.951  3.4904  0.3658466      4.871612 
1 1 1 -22 17  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 17  9  o 20.761  2.2041  60.304    11.871    61.444    16.602    59.111    16.979    20.986  3.0423  20.537  3.1902  0.4495182      4.408296 
1 1 1 -22 17  10 o 8.6876  2.3054  6.6342    7.5251    1.2612    10.243    12.933    11.091    7.3270  3.0792  10.048  3.4319  -2.721024      4.610832 
1 1 1 -22 17  11 o 26.470  2.0884  97.229    14.529    102.393   20.475    91.991    20.620    27.217  2.8510  25.723  3.0524  1.494007       4.176734 
1 1 1 -22 17  12 o 59.425  2.0581  485.075   32.696    473.861   46.264    496.264   46.213    58.683  2.9528  60.166  2.8677  -1.482426      4.116129 
1 1 1 -22 17  13 o 36.906  2.0079  188.083   19.671    177.540   27.743    198.742   27.894    35.830  2.9162  37.982  2.7608  -2.151978      4.015707 
1 1 1 -22 17  14 o 52.820  2.0357  385.169   28.691    379.888   40.500    390.489   40.651    52.448  2.8942  53.193  2.8637  -0.7454491     4.071484 
1 1 1 -22 17  15 o 43.703  2.0278  265.202   23.504    238.643   33.229    291.794   33.250    41.423  3.0157  45.983  2.7116  -4.559704      4.055531 
1 1 1 -22 17  16 o 9.6428  2.6001  9.7963    9.3270    9.1315    13.349    10.430    13.037    9.5466  3.6845  9.7389  3.6696  -0.1922522     5.200120 
1 1 1 -22 17  17 o 35.656  2.0943  178.278   19.778    168.046   28.194    188.190   27.751    34.581  3.0760  36.731  2.8429  -2.150105      4.188531 
1 1 1 -22 17  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 17  19 o 16.330  2.6943  39.991    11.596    35.625    16.561    44.190    16.242    15.376  3.9876  17.283  3.6244  -1.907084      5.388622 
1 1 1 -22 17  20 o 36.815  2.1024  191.983   20.553    192.168   28.878    191.793   29.258    36.848  2.9507  36.782  2.9957  0.6620789E-01  4.204863 
1 1 1 -22 17  21 o 32.428  2.1958  150.831   18.588    178.176   26.603    124.742   25.984    35.508  2.8203  29.348  3.3664  6.160101       4.391685 
1 1 1 -22 17  22 o 13.000  2.9299  25.343    11.525    23.201    16.455    27.406    16.148    12.557  4.1801  13.443  4.1066  -0.8858309     5.859838 
1 1 1 -22 17  23 o 21.578  2.5642  69.246    14.293    70.230    20.168    68.254    20.260    21.758  3.5855  21.398  3.6667  0.3599968      5.128436 
1 1 1 -22 17  24 o 8.9080  2.8381  -2.5626   13.114    -22.5959  27.934    3.1005    14.852    9.1399  4.3216  8.6761  3.6802  0.4637794      5.676260 
1 1 1 -22 17  25 f 38.462  3.1256  214.523   31.922    0.0000    0.0000    214.523   31.922    ?       ?       38.462  3.1256  ?              ?        
1 1 1 -22 17  26 o 36.425  3.2685  195.730   31.549    0.0000    0.0000    195.730   31.549    ?       ?       36.425  3.2685  ?              ?        
1 1 1 -22 18  1  o 41.287  1.8367  232.510   20.207    235.542   28.527    229.456   28.626    41.565  2.5751  41.010  2.6198  0.5549660      3.673451 
1 1 1 -22 18  2  f 37.502  1.8488  192.041   18.452    188.619   26.014    195.507   26.179    37.160  2.6306  37.844  2.5984  -0.6844597     3.697504 
1 1 1 -22 18  3  o 21.650  2.0945  65.301    11.750    73.139    16.657    57.536    16.578    23.020  2.7563  20.281  3.1544  2.739498       4.188944 
1 1 1 -22 18  4  o 53.568  1.9465  391.254   27.859    373.092   39.010    410.157   39.797    52.249  2.7976  54.887  2.7071  -2.637978      3.892937 
1 1 1 -22 18  5  o 20.466  2.2540  59.762    11.644    75.254    16.406    44.041    16.527    23.368  2.6691  17.564  3.6329  5.803600       4.508039 
1 1 1 -22 18  6  o 46.897  4.4171  310.660   54.831    0.0000    0.0000    310.660   54.831    ?       ?       46.897  4.4171  ?              ?        
1 1 1 -22 18  7  o 58.423  2.8755  466.568   44.997    466.568   44.997    0.0000    0.0000    58.423  2.8755  ?       ?       ?              ?        
1 1 1 -22 18  8  o 23.091  2.1542  74.408    12.973    77.560    18.132    71.104    18.568    23.634  2.9269  22.547  3.1615  1.086874       4.308334 
1 1 1 -22 18  9  o 33.702  1.9988  156.513   17.858    148.122   25.131    165.071   25.380    32.761  2.8937  34.643  2.7581  -1.881775      3.997540 
1 1 1 -22 18  10 o 34.424  2.0184  163.638   18.337    143.213   25.603    185.149   26.275    32.147  3.0084  36.701  2.6916  -4.553841      4.036736 
1 1 1 -22 18  11 o 15.855  2.5218  36.328    10.686    22.964    14.814    50.825    15.429    12.753  3.9396  18.958  3.1490  -6.205503      5.043537 
1 1 1 -22 18  12 o 20.105  2.3435  57.504    12.163    61.139    17.194    53.862    17.209    20.796  3.1885  19.413  3.4353  1.382469       4.686981 
1 1 1 -22 18  13 o 59.404  2.1014  488.832   33.334    462.664   47.095    515.104   47.188    57.719  3.0571  61.090  2.8839  -3.370693      4.202705 
1 1 1 -22 18  14 o 32.750  2.0991  149.819   18.208    153.661   25.729    145.964   25.770    33.194  2.9237  32.307  3.0128  0.8872986      4.198206 
1 1 1 -22 18  15 f 30.204  2.1864  129.000   17.277    146.300   24.405    111.621   24.461    32.373  2.8434  28.035  3.3222  4.338442       4.372801 
1 1 1 -22 18  16 o 21.415  2.4596  66.520    13.496    54.830    18.860    78.789    19.321    19.304  3.7828  23.527  3.1448  -4.222839      4.919271 
1 1 1 -22 18  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 18  18 o 6.5087  2.0944  -8.3433   8.3059    -16.3146  11.664    -0.1436   11.830    5.5480  2.6691  7.4695  3.2283  -1.921504      4.188758 
1 1 1 -22 18  19 o 11.427  2.8403  17.784    10.804    20.633    15.653    15.192    14.931    12.016  4.0772  10.839  3.9553  1.176671       5.680537 
1 1 1 -22 18  20 o 47.392  2.1297  319.541   26.893    318.676   37.854    320.422   38.213    47.337  3.0010  47.447  3.0226  -0.1102104     4.259372 
1 1 1 -22 18  21 o 27.612  2.3006  110.531   16.685    113.012   23.758    108.117   23.438    27.932  3.2354  27.292  3.2714  0.6401424      4.601116 
1 1 1 -22 18  22 o 22.252  3.6371  81.473    18.881    78.149    38.817    82.504    21.609    20.878  6.3646  23.626  3.5224  -2.748131      7.274273 
1 1 1 -22 18  23 o 26.036  3.4224  99.960    23.288    0.0000    0.0000    99.960    23.288    ?       ?       26.036  3.4224  ?              ?        
1 1 1 -22 18  24 o 24.809  2.8750  94.050    18.103    100.486   28.764    89.829    23.294    25.226  4.4180  24.391  3.6801  0.8355751      5.749970 
1 1 1 -22 18  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 19  1  o 59.569  1.9560  484.038   31.203    470.631   43.911    497.713   44.348    58.726  2.7916  60.412  2.7407  -1.686371      3.912065 
1 1 1 -22 19  2  o 22.276  2.1083  69.113    12.222    75.240    17.354    63.083    17.215    23.310  2.8381  21.241  3.1186  2.069365       4.216696 
1 1 1 -22 19  3  o 56.645  1.9763  438.213   29.980    441.300   42.157    435.054   42.644    56.857  2.7682  56.432  2.8212  0.4244766      3.952514 
1 1 1 -22 19  4  o 38.212  4.4333  207.770   44.532    0.0000    0.0000    207.770   44.532    ?       ?       38.212  4.4333  ?              ?        
1 1 1 -22 19  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 19  6  o 74.768  2.2296  769.151   44.645    752.508   62.610    786.368   63.679    73.940  3.1613  75.596  3.1449  -1.655800      4.459212 
1 1 1 -22 19  7  o 72.466  2.1907  722.819   42.491    687.577   59.659    759.102   60.534    70.639  3.1532  74.294  3.0420  -3.655563      4.381319 
1 1 1 -22 19  8  o 41.096  2.0279  232.951   22.131    213.694   31.011    252.938   31.593    39.316  2.9667  42.876  2.7657  -3.560253      4.055882 
1 1 1 -22 19  9  o 37.887  2.0432  198.583   20.520    181.088   28.766    216.708   29.281    36.133  2.9995  39.642  2.7752  -3.509338      4.086344 
1 1 1 -22 19  10 o 43.205  2.0460  258.424   23.505    241.683   33.077    275.500   33.406    41.744  2.9778  44.666  2.8066  -2.921204      4.091992 
1 1 1 -22 19  11 o 11.618  2.6749  18.644    9.5978    16.149    13.869    20.938    13.296    11.095  3.8357  12.141  3.7292  -1.045565      5.349735 
1 1 1 -22 19  12 o 31.145  2.1437  135.768   17.618    125.060   24.591    147.060   25.254    29.833  3.1238  32.458  2.9366  -2.625221      4.287417 
1 1 1 -22 19  13 o 38.882  2.0981  211.471   21.664    220.696   30.573    202.167   30.702    39.781  2.8890  37.984  3.0433  1.797222       4.196186 
1 1 1 -22 19  14 o 15.347  2.7582  35.217    11.622    44.941    16.350    25.287    16.522    17.506  3.6070  13.187  4.1739  4.319190       5.516473 
1 1 1 -22 19  15 o 44.006  2.1493  273.895   24.933    232.159   35.067    316.564   35.457    40.420  3.2670  47.591  2.7938  -7.171009      4.298661 
1 1 1 -22 19  16 o 11.529  3.9726  18.403    14.871    18.403    14.871    0.0000    0.0000    11.529  3.9726  ?       ?       ?              ?        
1 1 1 -22 19  17 o 46.961  2.1182  312.519   26.501    305.721   37.297    319.452   37.661    46.426  3.0157  47.495  2.9754  -1.069481      4.236419 
1 1 1 -22 19  18 o 33.472  2.1863  160.383   19.379    158.557   27.297    162.238   27.515    33.274  3.0984  33.670  3.0854  -0.3955612     4.372623 
1 1 1 -22 19  19 o 14.297  2.9452  31.312    12.113    25.219    16.946    37.676    17.320    12.970  4.2385  15.624  4.0906  -2.653824      5.890488 
1 1 1 -22 19  20 o 10.241  3.1815  4.2343    13.456    -3.1570   33.221    5.6851    14.718    11.430  5.1491  9.0518  3.7384  2.378280       6.363094 
1 1 1 -22 19  21 o 29.664  3.2708  128.181   25.556    0.0000    0.0000    128.181   25.556    ?       ?       29.664  3.2708  ?              ?        
1 1 1 -22 19  22 o 11.683  3.0118  18.222    13.021    5.7749    19.783    27.734    17.294    9.9958  4.2442  13.370  4.2744  -3.373899      6.023588 
1 1 1 -22 19  23 o 12.496  3.1473  23.551    13.245    25.083    17.376    21.426    20.462    12.743  4.2958  12.249  4.6009  0.4932337      6.294599 
1 1 1 -22 19  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 20  1  f 48.116  1.9268  317.414   24.728    318.245   34.805    316.568   35.139    48.186  2.7077  48.045  2.7419  0.1414375      3.853519 
1 1 1 -22 20  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 20  3  o 4.4986  2.1746  -12.6941  7.9750    -12.6941  7.9750    0.0000    0.0000    4.4986  2.1746  ?       ?       ?              ?        
1 1 1 -22 20  4  o 25.170  2.1157  88.611    13.860    100.392   19.612    76.856    19.590    26.942  2.7565  23.399  3.2104  3.543379       4.231418 
1 1 1 -22 20  5  o 38.747  1.9859  207.167   20.417    190.070   28.713    224.655   29.039    37.078  2.9147  40.415  2.6980  -3.337612      3.971743 
1 1 1 -22 20  6  o 49.689  2.0385  340.690   27.008    340.408   37.758    340.985   38.647    49.685  2.8491  49.693  2.9163  -0.8255005E-02 4.077038 
1 1 1 -22 20  7  o 68.152  2.1859  642.420   39.867    606.784   55.911    679.279   56.861    66.185  3.1539  70.119  3.0276  -3.933563      4.371857 
1 1 1 -22 20  8  o 30.399  2.0955  128.664   16.800    117.169   23.351    140.999   24.189    28.943  3.0584  31.855  2.8656  -2.911999      4.191084 
1 1 1 -22 20  9  o 29.612  2.1787  123.906   16.793    142.973   23.583    104.294   23.918    32.089  2.7710  27.136  3.3627  4.952280       4.357325 
1 1 1 -22 20  10 o 11.782  2.7328  18.762    10.125    13.345    13.919    24.848    14.754    10.479  3.8197  13.086  3.9094  -2.606778      5.465666 
1 1 1 -22 20  11 o 22.830  2.4281  74.857    14.353    81.044    20.438    68.837    20.162    23.839  3.2884  21.821  3.5734  2.018509       4.856198 
1 1 1 -22 20  12 o 16.824  2.8194  42.229    12.508    40.812    17.419    43.737    17.972    16.531  3.9814  17.117  3.9931  -0.5856419     5.638868 
1 1 1 -22 20  13 o 28.065  2.2920  112.482   16.910    113.159   23.759    111.788   24.071    28.170  3.2060  27.960  3.2763  0.2095909      4.583993 
1 1 1 -22 20  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 20  15 o 26.970  2.3909  105.783   16.720    90.882    23.543    120.947   23.750    24.864  3.6432  29.076  3.0973  -4.212492      4.781852 
1 1 1 -22 20  16 o 31.868  2.2440  146.010   18.892    141.152   26.573    150.975   26.865    31.299  3.2154  32.436  3.1311  -1.137249      4.488093 
1 1 1 -22 20  17 o 31.090  3.9937  182.475   26.155    114.275   52.539    204.947   30.158    24.298  7.4040  37.882  2.9967  -13.58401      7.987443 
1 1 1 -22 20  18 o 13.324  4.2731  27.063    17.273    0.0000    0.0000    27.063    17.273    ?       ?       13.324  4.2731  ?              ?        
1 1 1 -22 20  19 o 10.183  3.9870  11.422    15.804    0.0000    0.0000    11.422    15.804    ?       ?       10.183  3.9870  ?              ?        
1 1 1 -22 20  20 o 10.368  2.9386  10.725    12.212    13.822    19.281    8.6508    15.781    11.047  4.3790  9.6880  3.9201  1.359064       5.877291 
1 1 1 -22 20  21 o 18.620  3.2269  56.514    15.896    58.703    21.026    53.594    24.286    19.302  4.1873  17.938  4.9109  1.364454       6.453741 
1 1 1 -22 20  22 o 14.770  4.4786  35.707    19.258    35.707    19.258    0.0000    0.0000    14.770  4.4786  ?       ?       ?              ?        
1 1 1 -22 20  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 21  1  o 34.267  1.9871  162.454   18.044    172.979   25.515    151.923   25.522    35.422  2.7098  33.112  2.9071  2.310207       3.974199 
1 1 1 -22 21  2  o 15.715  2.6126  35.765    10.806    33.429    14.867    38.381    15.733    15.168  3.6937  16.262  3.6958  -1.093709      5.225141 
1 1 1 -22 21  3  o 45.115  2.0078  281.200   24.121    268.319   33.986    294.274   34.240    44.042  2.8972  46.188  2.7807  -2.145985      4.015689 
1 1 1 -22 21  4  o 26.757  2.1581  100.460   15.118    109.746   21.329    91.084    21.433    28.080  2.8764  25.434  3.2182  2.646727       4.316299 
1 1 1 -22 21  5  f 33.971  2.0927  161.000   18.804    170.130   26.323    151.487   26.870    35.018  2.8307  32.924  3.0828  2.093182       4.185315 
1 1 1 -22 21  6  o 52.387  2.0791  381.069   29.053    380.255   40.840    381.904   41.340    52.340  2.9249  52.435  2.9555  -0.9424210E-01 4.158115 
1 1 1 -22 21  7  o 17.088  2.6288  42.660    11.843    28.709    16.289    58.301    17.248    13.990  4.0893  20.186  3.3045  -6.195728      5.257584 
1 1 1 -22 21  8  o 19.129  2.5795  53.410    12.723    56.337    17.790    50.345    18.202    19.739  3.4927  18.520  3.7968  1.218950       5.158941 
1 1 1 -22 21  9  o 33.624  2.1410  158.898   19.044    147.746   26.591    170.641   27.287    32.364  3.1056  34.884  2.9480  -2.519978      4.282024 
1 1 1 -22 21  10 o 50.972  2.1513  365.407   29.214    376.584   41.019    353.901   41.619    51.824  2.9673  50.120  3.1156  1.704174       4.302575 
1 1 1 -22 21  11 o 12.648  2.8341  23.197    11.091    29.798    15.261    15.807    16.146    14.112  3.9052  11.184  4.1083  2.928065       5.668172 
1 1 1 -22 21  12 o 37.454  2.1829  199.322   21.688    190.373   30.505    208.470   30.840    36.558  3.1459  38.349  3.0270  -1.791573      4.365742 
1 1 1 -22 21  13 o 12.038  4.1783  20.462    16.465    20.462    16.465    0.0000    0.0000    12.038  4.1783  ?       ?       ?              ?        
1 1 1 -22 21  14 o 28.682  3.3212  112.725   21.543    162.984   45.253    97.997    24.497    31.609  5.5473  25.754  3.6536  5.855124       6.642338 
1 1 1 -22 21  15 o 27.470  3.3888  110.283   24.406    0.0000    0.0000    110.283   24.406    ?       ?       27.470  3.3888  ?              ?        
1 1 1 -22 21  16 o 33.139  3.2802  159.577   28.733    0.0000    0.0000    159.577   28.733    ?       ?       33.139  3.2802  ?              ?        
1 1 1 -22 21  17 o 21.903  2.9452  71.824    16.498    107.206   25.456    46.197    21.664    26.846  3.6335  16.960  4.6363  9.886269       5.890494 
1 1 1 -22 21  18 o 16.613  3.0201  43.443    13.675    34.659    19.008    52.867    19.689    14.787  4.4418  18.439  4.0933  -3.651999      6.040205 
1 1 1 -22 21  19 o 28.874  3.4942  123.969   26.474    123.969   26.474    0.0000    0.0000    28.874  3.4942  ?       ?       ?              ?        
1 1 1 -22 21  20 o 10.008  4.0293  10.386    16.583    10.386    16.583    0.0000    0.0000    10.008  4.0293  ?       ?       ?              ?        
1 1 1 -22 21  21 o 12.509  3.0163  23.636    12.905    11.450    18.507    35.168    18.004    10.369  4.2268  14.649  4.3041  -4.279572      6.032524 
1 1 1 -22 22  1  o 7.6697  2.2762  0.7553    7.9640    -3.2878   10.591    6.0156    12.081    6.6645  2.9614  8.6750  3.4575  -2.010452      4.552440 
1 1 1 -22 22  2  o 19.131  2.4973  52.854    12.324    54.100    17.454    51.615    17.404    19.376  3.4916  18.886  3.5713  0.4892368      4.994559 
1 1 1 -22 22  3  o 18.724  2.6287  51.241    12.711    55.502    17.855    46.862    18.099    19.601  3.5307  17.847  3.8955  1.753727       5.257461 
1 1 1 -22 22  4  o 27.971  2.1664  110.227   15.938    103.975   22.554    116.464   22.526    27.126  3.1636  28.817  2.9605  -1.690701      4.332778 
1 1 1 -22 22  5  o 45.573  2.0741  289.672   25.159    272.714   35.030    307.738   36.156    44.163  2.9788  46.983  2.8871  -2.819847      4.148272 
1 1 1 -22 22  6  o 15.008  2.7940  33.439    11.671    43.416    16.622    23.737    16.391    17.160  3.7233  12.856  4.1667  4.304533       5.587938 
1 1 1 -22 22  7  o 16.264  2.8412  39.695    12.310    41.246    17.209    38.069    17.615    16.619  3.9282  15.909  4.1059  0.7092934      5.682384 
1 1 1 -22 22  8  f 34.708  2.2021  170.883   20.225    179.816   28.557    161.893   28.649    35.684  3.0161  33.733  3.2094  1.950920       4.404197 
1 1 1 -22 22  9  o 15.308  2.8023  35.396    12.203    50.246    17.259    20.550    17.257    18.435  3.6245  12.182  4.2748  6.253639       5.604507 
1 1 1 -22 22  10 f 12.339  3.2283  20.772    13.437    6.3076    29.102    24.692    15.149    11.795  5.0805  12.884  3.9845  -1.088788      6.456651 
1 1 1 -22 22  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 22  12 o 12.017  4.1500  20.735    16.233    0.0000    0.0000    20.735    16.233    ?       ?       12.017  4.1500  ?              ?        
1 1 1 -22 22  13 o 24.794  3.5885  91.140    23.139    0.0000    0.0000    91.140    23.139    ?       ?       24.794  3.5885  ?              ?        
1 1 1 -22 22  14 o 14.899  2.8172  34.305    13.697    5.3974    20.318    58.389    18.545    10.094  4.2939  19.704  3.6481  -9.610091      5.634418 
1 1 1 -22 22  15 o 32.472  2.4312  155.390   20.492    127.304   28.625    184.914   29.349    29.159  3.7522  35.784  3.0925  -6.625208      4.862319 
1 1 1 -22 22  16 o 32.909  3.3078  158.452   28.762    158.452   28.762    0.0000    0.0000    32.909  3.3078  ?       ?       ?              ?        
1 1 1 -22 22  17 o 35.201  3.2888  181.711   30.649    181.711   30.649    0.0000    0.0000    35.201  3.2888  ?       ?       ?              ?        
1 1 1 -22 22  18 o 18.335  3.8414  60.573    19.149    63.321    21.658    50.729    40.991    20.011  4.1757  16.659  6.4489  3.352781       7.682716 
1 1 1 -22 22  19 o 12.462  3.0238  23.510    12.793    33.309    17.794    13.026    18.405    14.309  4.2975  10.616  4.2551  3.692957       6.047683 
1 1 1 -22 22  20 o 5.9532  2.8971  -22.1737  14.768    0.0000    0.0000    -22.1737  14.768    ?       ?       5.9532  2.8971  ?              ?        
1 1 1 -22 23  1  f 20.015  3.5892  58.292    18.535    0.0000    0.0000    58.292    18.535    ?       ?       20.015  3.5892  ?              ?        
1 1 1 -22 23  2  o 18.664  3.6919  51.153    17.802    0.0000    0.0000    51.153    17.802    ?       ?       18.664  3.6919  ?              ?        
1 1 1 -22 23  3  o 29.889  3.0948  126.500   24.417    0.0000    0.0000    126.500   24.417    ?       ?       29.889  3.0948  ?              ?        
1 1 1 -22 23  4  o 30.171  3.0978  129.121   24.679    0.0000    0.0000    129.121   24.679    ?       ?       30.171  3.0978  ?              ?        
1 1 1 -22 23  5  o 29.131  3.2273  121.287   24.758    0.0000    0.0000    121.287   24.758    ?       ?       29.131  3.2273  ?              ?        
1 1 1 -22 23  6  o 20.108  3.7477  59.952    19.442    0.0000    0.0000    59.952    19.442    ?       ?       20.108  3.7477  ?              ?        
1 1 1 -22 23  7  o 16.214  4.1277  40.211    17.972    0.0000    0.0000    40.211    17.972    ?       ?       16.214  4.1277  ?              ?        
1 1 1 -22 23  8  o 20.383  3.7813  62.166    19.884    0.0000    0.0000    62.166    19.884    ?       ?       20.383  3.7813  ?              ?        
1 1 1 -22 23  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 23  10 o 13.221  3.0569  26.714    12.632    21.111    19.282    30.927    16.719    12.297  4.4937  14.144  4.1454  -1.847121      6.113725 
1 1 1 -22 23  11 o 12.949  2.9982  25.442    12.008    27.023    16.807    23.793    17.164    13.275  4.2105  12.623  4.2694  0.6522131      5.996394 
1 1 1 -22 23  12 o 28.918  2.9527  129.646   21.004    133.895   26.323    122.201   34.846    30.255  3.3019  27.582  4.8961  2.673014       5.905432 
1 1 1 -22 23  13 o 14.744  4.3300  34.406    18.225    34.406    18.225    0.0000    0.0000    14.744  4.3300  ?       ?       ?              ?        
1 1 1 -22 23  14 o 22.797  3.8560  79.191    22.706    79.191    22.706    0.0000    0.0000    22.797  3.8560  ?       ?       ?              ?        
1 1 1 -22 23  15 o 29.634  3.3218  121.531   22.983    98.880    26.452    191.294   46.424    25.327  4.0346  33.940  5.2782  -8.612301      6.643664 
1 1 1 -22 23  16 o 32.653  2.4747  159.419   21.295    161.661   29.870    157.102   30.368    32.949  3.4352  32.357  3.5631  0.5915833      4.949340 
1 1 1 -22 23  17 o 17.103  3.1844  48.334    14.803    51.800    21.192    45.031    20.688    17.740  4.4636  16.466  4.5428  1.274122       6.368743 
1 1 1 -22 23  18 f 16.725  2.9994  45.376    14.404    24.623    19.644    69.513    21.185    12.504  4.5407  20.946  3.9202  -8.441966      5.998864 
1 1 1 -22 24  1  o 33.905  2.4676  166.289   21.390    163.982   34.450    167.737   27.286    33.393  3.9266  34.418  2.9896  -1.024918      4.935179 
1 1 1 -22 24  2  o 34.245  2.5161  170.940   21.938    165.810   35.433    174.128   27.936    33.456  4.0356  35.034  3.0061  -1.578903      5.032184 
1 1 1 -22 24  3  o 11.676  2.9262  16.869    11.836    27.841    17.787    8.1510    15.855    13.610  4.3332  9.7424  3.9337  3.867371       5.852415 
1 1 1 -22 24  4  o 20.390  2.7159  62.456    14.268    64.990    19.793    59.714    20.585    20.924  3.6652  19.855  4.0089  1.069506       5.431868 
1 1 1 -22 24  5  o 20.621  2.6776  63.691    14.233    58.821    19.805    68.893    20.468    19.732  3.8856  21.509  3.6853  -1.777542      5.355282 
1 1 1 -22 24  6  o 16.178  3.0136  40.769    13.244    38.075    18.360    43.691    19.123    15.620  4.2674  16.735  4.2564  -1.115097      6.027213 
1 1 1 -22 24  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 24  8  o 9.3924  3.8234  7.5229    15.117    7.5229    15.117    0.0000    0.0000    9.3924  3.8234  ?       ?       ?              ?        
1 1 1 -22 24  9  o 6.9304  3.1368  -4.9952   12.499    -4.9952   12.499    0.0000    0.0000    6.9304  3.1368  ?       ?       ?              ?        
1 1 1 -22 24  10 o 15.856  4.3053  39.995    18.756    39.995    18.756    0.0000    0.0000    15.856  4.3053  ?       ?       ?              ?        
1 1 1 -22 24  11 o 13.781  4.3565  29.907    18.004    29.907    18.004    0.0000    0.0000    13.781  4.3565  ?       ?       ?              ?        
1 1 1 -22 24  12 o 37.146  2.3548  203.308   23.100    214.489   32.171    191.408   33.189    38.373  3.1580  35.920  3.4938  2.453053       4.709561 
1 1 1 -22 24  13 o 14.258  3.0324  32.416    13.139    43.193    18.144    20.535    19.051    16.508  4.1173  12.007  4.4531  4.501100       6.064837 
1 1 1 -22 24  14 o 9.2030  2.7326  3.1985    11.982    13.756    16.813    -7.6983   17.081    10.578  4.1203  7.8283  3.5904  2.749410       5.465156 
1 1 1 -22 24  15 f 23.459  2.9242  87.546    17.626    96.715    24.704    78.039    25.155    25.011  3.8077  21.908  4.4390  3.103527       5.848337 
1 1 1 -22 24  16 o 34.956  2.4977  186.296   23.064    184.743   32.593    187.852   32.643    34.791  3.5471  35.120  3.5175  -0.3283310     4.995498 
1 1 1 -22 24  17 o 7.4730  3.4654  -8.6135   16.550    0.0000    0.0000    -8.6135   16.550    ?       ?       7.4730  3.4654  ?              ?        
1 1 1 -22 25  1  o 21.162  3.6600  66.859    19.995    66.859    19.995    0.0000    0.0000    21.162  3.6600  ?       ?       ?              ?        
1 1 1 -22 25  2  o 12.345  4.1141  22.585    15.937    22.585    15.937    0.0000    0.0000    12.345  4.1141  ?       ?       ?              ?        
1 1 1 -22 25  3  o 20.024  3.8513  60.978    19.906    60.978    19.906    0.0000    0.0000    20.024  3.8513  ?       ?       ?              ?        
1 1 1 -22 25  4  o 9.7714  3.7669  10.974    13.941    10.974    13.941    0.0000    0.0000    9.7714  3.7669  ?       ?       ?              ?        
1 1 1 -22 25  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -22 25  6  o 10.069  3.9433  11.450    15.462    11.450    15.462    0.0000    0.0000    10.069  3.9433  ?       ?       ?              ?        
1 1 1 -22 25  7  o 13.138  3.5166  24.681    15.466    25.362    17.594    22.366    32.444    12.852  4.3227  13.425  5.5480  -0.5730286     7.033185 
1 1 1 -22 25  8  o 7.8808  2.2982  -6.8706   9.9326    14.856    13.340    -33.8982  14.879    10.408  3.7475  5.3532  2.6615  5.055135       4.596469 
1 1 1 -22 25  9  o 12.019  3.0741  21.041    12.706    20.757    17.611    21.350    18.351    11.939  4.3049  12.099  4.3895  -0.1601009     6.148196 
1 1 1 -22 25  10 f 28.791  2.6684  126.309   19.216    88.846    26.516    167.741   27.885    23.683  4.3400  33.898  3.1057  -10.21540      5.336787 
1 1 1 -22 25  11 o 33.701  2.4328  169.974   21.457    189.949   30.173    149.539   30.518    35.986  3.1625  31.416  3.6976  4.569836       4.865568 
1 1 1 -22 25  12 o 11.842  2.9531  18.771    12.458    6.4612    17.063    32.824    18.231    9.4683  3.9764  14.215  4.3670  -4.746321      5.906146 
1 1 1 -22 25  13 o 12.361  2.5563  16.297    12.659    48.869    17.493    -19.5172  18.343    17.614  3.8179  7.1070  3.4002  10.50717       5.112511 
1 1 1 -22 25  14 o 14.163  3.0500  31.287    14.247    10.628    19.783    53.541    20.533    10.347  4.3087  17.979  4.3180  -7.632355      6.099992 
1 1 1 -22 25  15 o 41.536  2.4759  265.731   27.184    240.829   38.070    291.634   38.828    39.298  3.6589  43.775  3.3366  -4.477314      4.951847 
1 1 1 -22 26  1  o 16.287  2.8008  40.573    13.007    19.859    17.655    65.164    19.236    11.805  4.3020  20.770  3.5875  -8.965097      5.601556 
1 1 1 -22 26  2  o 27.253  5.9682  131.710   42.359    0.0000    0.0000    131.710   42.359    ?       ?       27.253  5.9682  ?              ?        
1 1 1 -22 26  3  o 11.458  4.0822  18.963    15.790    18.963    15.790    0.0000    0.0000    11.458  4.0822  ?       ?       ?              ?        
1 1 1 -22 26  4  o 22.567  2.8320  79.446    16.428    85.952    22.847    72.481    23.640    23.762  3.7109  21.372  4.2790  2.390692       5.663976 
1 1 1 -22 26  5  o 17.193  3.0032  47.096    13.949    35.807    19.129    59.916    20.385    14.845  4.4552  19.541  4.0286  -4.695861      6.006496 
1 1 1 -22 26  6  o 20.867  2.9655  70.366    15.958    86.986    22.167    52.486    22.993    23.989  3.5577  17.745  4.7454  6.243557       5.930983 
1 1 1 -22 26  7  o 9.9755  2.8245  8.9887    11.671    1.8285    15.648    17.966    17.522    8.5733  3.7091  11.378  4.2606  -2.804414      5.648920 
1 1 1 -22 26  8  o 30.755  2.4986  142.221   20.201    137.956   28.162    146.742   28.994    30.271  3.5403  31.240  3.5268  -0.9692345     4.997185 
1 1 1 -22 26  9  o 16.155  3.1730  42.996    14.208    40.668    19.525    45.616    20.715    15.718  4.4413  16.592  4.5327  -0.8739958     6.345916 
1 1 1 -22 26  10 o 19.016  3.1876  59.760    16.065    50.897    22.309    69.308    23.154    17.359  4.6880  20.674  4.3205  -3.315277      6.375209 
1 1 1 -22 26  11 f 12.949  3.1891  26.375    13.903    17.874    19.265    35.614    20.085    11.372  4.4158  14.527  4.6025  -3.155094      6.378202 
1 1 1 -22 26  12 f 24.949  2.8679  100.006   18.482    104.359   25.977    95.543    26.301    25.655  3.9034  24.244  4.2026  1.411098       5.735748 
1 1 1 -22 26  13 o 7.5460  2.3963  -8.7343   10.844    -23.9360  14.996    7.9308    15.701    5.8605  2.8665  9.2315  3.8409  -3.371002      4.792587 
1 1 1 -22 27  1  o 9.1850  2.7086  4.7394    11.081    -1.0669   14.443    13.045    17.275    7.8880  3.4839  10.482  4.1482  -2.594035      5.417117 
1 1 1 -22 27  2  o 9.7536  2.8031  9.4186    11.525    12.361    15.193    5.4314    17.687    10.077  3.9191  9.4304  4.0088  0.6464691      5.606232 
1 1 1 -22 27  3  o 22.553  2.8554  80.215    16.427    60.375    22.713    101.976   23.788    19.156  4.5028  25.950  3.5126  -6.794512      5.710846 
1 1 1 -22 27  4  o 32.754  2.4373  161.247   21.051    157.063   29.838    165.394   29.705    32.264  3.5093  33.243  3.3832  -0.9790688     4.874541 
1 1 1 -22 27  5  o 19.312  3.0359  60.753    15.682    39.052    21.680    84.568    22.712    15.212  4.7769  23.413  3.7481  -8.200958      6.071887 
1 1 1 -22 27  6  o 23.973  2.8384  90.096    17.524    79.791    24.090    101.677   25.539    22.355  4.1768  25.592  3.8447  -3.236959      5.676895 
1 1 1 -22 27  7  o 19.172  3.0624  59.843    15.721    39.423    21.394    83.813    23.179    15.216  4.7400  23.128  3.8791  -7.912568      6.124890 
1 1 1 -22 27  8  o 13.495  3.2501  30.141    14.426    37.249    19.788    22.077    21.077    14.844  4.5478  12.147  4.6444  2.696708       6.500237 
1 1 1 -22 27  9  o 15.169  3.2584  39.547    14.396    38.292    19.913    40.920    20.836    14.954  4.5585  15.384  4.6571  -0.4298048     6.516749 
1 1 1 -22 27  10 o 24.882  2.9232  100.420   18.567    79.872    25.429    123.884   27.174    21.694  4.5227  28.069  3.7049  -6.375139      5.846500 
1 1 1 -22 27  11 f 19.706  3.2843  68.788    17.093    74.718    23.391    61.992    25.040    21.032  4.2974  18.381  4.9678  2.650745       6.568609 
1 1 1 -22 28  1  o 9.9664  2.8900  9.8075    12.499    14.308    16.572    3.8691    19.035    10.520  4.0926  9.4124  4.0815  1.108034       5.779974 
1 1 1 -22 28  2  o 16.418  3.0193  45.505    14.861    68.071    20.585    20.946    21.475    20.807  3.8348  12.028  4.6646  8.779370       6.038544 
1 1 1 -22 28  3  o 30.836  2.5552  145.847   20.365    119.587   28.264    174.203   29.370    27.567  3.9400  34.105  3.2546  -6.538870      5.110369 
1 1 1 -22 28  4  o 17.737  3.2062  52.997    15.318    47.410    21.115    59.203    22.255    16.681  4.5842  18.793  4.4839  -2.111254      6.412458 
1 1 1 -22 28  5  o 13.988  3.2760  33.106    15.049    44.388    20.693    20.442    21.925    16.085  4.5817  11.891  4.6835  4.193659       6.551945 
1 1 1 -22 28  6  o 23.422  2.9621  90.341    17.746    101.167   24.488    78.369    25.752    25.393  3.7099  21.450  4.6187  3.942219       5.924207 
1 1 1 -22 28  7  o 8.8450  2.7180  1.7812    12.530    10.684    16.543    -10.1975  19.190    9.7822  3.9929  7.9078  3.6887  1.874353       5.435968 
1 1 1 -22 28  8  o 14.187  3.2996  34.643    14.825    24.045    19.829    48.075    22.324    12.106  4.5326  16.268  4.7964  -4.162171      6.599230 
1 1 1 -22 28  9  o 10.992  3.0835  17.741    13.444    15.400    17.940    20.741    20.306    10.506  4.2045  11.478  4.5116  -0.9727192     6.167072 
1 1 1 -22 29  1  f 17.067  3.2005  49.429    15.512    32.162    21.062    69.899    22.932    13.655  4.7265  20.479  4.3168  -6.823893      6.401082 
1 1 1 -22 29  2  o 12.352  3.2022  24.822    14.062    29.389    19.030    19.328    20.871    13.165  4.4954  11.538  4.5616  1.626909       6.404413 
1 1 1 -22 29  3  o 10.358  2.9267  13.539    12.284    10.153    16.734    17.495    18.089    9.7107  3.9958  11.006  4.2775  -1.295490      5.853467 
1 1 1 -22 29  4  o 15.451  3.1645  42.148    15.235    61.602    21.286    21.714    21.816    19.068  4.2735  11.834  4.6684  7.233623       6.329084 
1 1 1 -22 29  5  o 13.901  3.3570  34.848    14.976    31.437    20.288    38.930    22.198    13.296  4.6367  14.506  4.8557  -1.210749      6.713920 
1 1 1 -22 29  6  o 10.097  2.7393  9.7058    12.568    28.455    16.619    -15.3417  19.208    12.804  4.1980  7.3910  3.5203  5.412781       5.478652 
1 1 1 -22 30  1  o 15.324  3.3347  42.619    15.208    33.119    20.475    54.310    22.714    13.494  4.6608  17.153  4.7705  -3.658751      6.669406 
1 1 1 -22 30  2  o 8.1021  2.6341  -5.6966   12.761    -10.9208  16.361    2.4185    20.391    7.0833  3.3364  9.1208  4.0772  -2.037537      5.268279 
1 1 1 -22 30  3  o 26.879  2.9050  122.954   20.224    125.523   28.203    120.235   29.015    27.359  3.9641  26.399  4.2475  0.9603329      5.809954 
1 1 1 -21 -25 12 o 15.838  3.2987  37.279    15.303    54.591    23.508    24.548    20.160    18.604  4.7123  13.072  4.6174  5.531385       6.597428 
1 1 1 -21 -25 13 o 10.130  2.8918  0.8381    12.445    24.198    21.302    -11.2655  15.333    13.107  4.7333  7.1532  3.3235  5.953635       5.783530 
1 1 1 -21 -25 14 o 18.595  3.2453  57.030    16.939    32.005    25.931    75.657    22.372    14.650  5.2301  22.540  3.8435  -7.889808      6.490512 
1 1 1 -21 -25 15 o 19.324  3.4198  57.308    17.662    74.585    27.354    44.956    23.130    21.787  4.8156  16.861  4.8570  4.925682       6.839653 
1 1 1 -21 -25 16 o 15.922  3.5937  38.695    17.155    48.787    26.809    31.698    22.323    17.387  5.2869  14.456  4.8692  2.930987       7.187462 
1 1 1 -21 -25 17 o 24.268  3.2055  89.160    19.918    117.038   30.074    67.374    26.585    27.915  4.1483  20.621  4.8878  7.293888       6.410909 
1 1 1 -21 -25 18 o 27.492  3.0760  113.992   21.811    128.376   32.441    102.125   29.465    29.134  4.2852  25.850  4.4140  3.284615       6.151936 
1 1 1 -21 -25 19 o 17.713  3.5531  48.578    17.835    66.492    27.437    35.469    23.471    20.332  5.0587  15.094  4.9908  5.237981       7.106266 
1 1 1 -21 -25 20 o 12.633  3.4315  20.365    16.517    13.276    25.305    25.626    21.803    11.938  4.9132  13.328  4.7917  -1.389920      6.862929 
1 1 1 -21 -24 6  o 19.330  3.2719  57.462    16.580    65.165    25.548    51.858    21.792    20.378  4.7657  18.281  4.4844  2.097548       6.543801 
1 1 1 -21 -24 7  o 37.992  2.3674  206.582   23.819    217.660   34.590    196.591   32.849    38.965  3.3467  37.018  3.3492  1.947060       4.734733 
1 1 1 -21 -24 8  o 12.769  3.1294  23.248    13.123    17.418    21.215    26.861    16.701    12.095  4.6512  13.443  4.1881  -1.348014      6.258888 
1 1 1 -21 -24 9  o 14.616  3.2298  32.766    14.114    25.827    22.984    36.966    17.883    13.621  4.9169  15.612  4.1893  -1.991430      6.459572 
1 1 1 -21 -24 10 o 21.588  3.0590  69.859    17.065    91.473    25.197    51.545    23.194    24.930  3.9014  18.246  4.7128  6.683863       6.118094 
1 1 1 -21 -24 11 o 39.799  2.4491  227.603   25.069    293.226   36.299    167.758   34.664    45.670  2.9838  33.927  3.8845  11.74254       4.898190 
1 1 1 -21 -24 12 o 14.511  3.2666  31.629    15.217    15.793    23.598    42.903    19.910    12.235  4.8462  16.787  4.3813  -4.551731      6.533136 
1 1 1 -21 -24 13 o 16.589  3.4572  41.245    16.429    52.789    25.164    32.669    21.689    18.397  4.9834  14.781  4.7932  3.615710       6.914461 
1 1 1 -21 -24 14 o 17.553  3.1735  43.703    15.381    70.039    24.476    26.514    19.773    21.538  4.3915  13.567  4.5825  7.971430       6.347005 
1 1 1 -21 -24 15 o 19.818  3.2974  60.429    17.175    58.533    25.423    62.021    23.294    19.414  4.8911  20.222  4.4236  -0.8077202     6.594792 
1 1 1 -21 -24 16 o 20.147  3.3184  61.232    17.757    81.700    26.655    44.902    23.809    23.275  4.4376  17.020  4.9350  6.254507       6.636772 
1 1 1 -21 -24 17 o 40.418  2.4924  233.830   26.674    250.166   38.301    218.444   37.170    41.852  3.4474  38.983  3.6005  2.868263       4.984770 
1 1 1 -21 -24 18 o 24.513  3.2743  94.692    20.364    66.287    29.929    119.180   27.789    20.384  5.3968  28.643  3.7093  -8.258390      6.548598 
1 1 1 -21 -24 19 o 23.860  3.3299  86.000    20.472    115.280   30.682    62.504    27.484    27.815  4.2533  19.904  5.1247  7.911249       6.659822 
1 1 1 -21 -24 20 o 14.913  3.5986  33.222    17.187    32.647    25.904    33.674    22.972    14.885  5.2366  14.941  4.9374  -0.5580902E-01 7.197190 
1 1 1 -21 -24 21 o 29.036  2.8991  125.110   21.914    124.882   31.305    125.329   30.686    28.975  4.1525  29.098  4.0468  -0.1230316     5.798291 
1 1 1 -21 -24 22 o 16.484  3.6521  42.327    18.009    50.250    26.456    35.486    24.583    17.736  5.2192  15.231  5.1098  2.505130       7.304152 
1 1 1 -21 -24 23 o 19.289  3.5331  59.448    18.351    56.828    27.751    61.484    24.462    18.744  5.2943  19.835  4.6800  -1.091753      7.066273 
1 1 1 -21 -24 24 f 38.103  2.6224  212.470   26.419    218.107   37.731    207.047   37.004    38.615  3.6930  37.591  3.7242  1.024693       5.244761 
1 1 1 -21 -24 25 o 17.614  3.6869  50.375    18.569    53.721    27.538    47.585    25.146    18.080  5.3263  17.147  5.0993  0.9323502      7.373800 
1 1 1 -21 -23 2  o 27.054  2.6253  108.719   18.195    96.508    27.048    118.812   24.591    25.362  4.1233  28.746  3.2508  -3.384645      5.250675 
1 1 1 -21 -23 3  o 23.822  2.9374  83.065    17.828    109.909   27.325    63.169    23.524    27.342  3.8367  20.302  4.4489  7.039940       5.874773 
1 1 1 -21 -23 4  o 47.499  2.2603  319.706   28.558    338.959   40.765    301.149   40.021    48.966  3.1244  46.032  3.2672  2.934616       4.520658 
1 1 1 -21 -23 5  o 12.466  4.7245  19.077    21.689    19.077    21.689    0.0000    0.0000    12.466  4.7245  ?       ?       ?              ?        
1 1 1 -21 -23 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -23 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -23 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -23 9  o 14.992  4.2972  33.587    18.146    0.0000    0.0000    33.587    18.146    ?       ?       14.992  4.2972  ?              ?        
1 1 1 -21 -23 10 o 24.698  3.5978  87.904    23.101    0.0000    0.0000    87.904    23.101    ?       ?       24.698  3.5978  ?              ?        
1 1 1 -21 -23 11 o 12.007  3.1491  17.427    14.613    -20.5646  31.325    27.994    16.521    10.211  4.7463  13.803  4.1399  -3.591404      6.298116 
1 1 1 -21 -23 12 o 12.048  3.0602  18.511    13.319    3.1317    22.321    27.014    16.597    10.501  4.4846  13.596  4.1650  -3.095041      6.120335 
1 1 1 -21 -23 13 o 11.193  2.9341  13.230    13.034    -7.9925   21.788    25.059    16.266    9.2207  4.1604  13.165  4.1383  -3.943982      5.868106 
1 1 1 -21 -23 14 o 21.068  3.1358  69.866    17.264    42.853    25.611    92.362    23.372    16.766  5.1801  25.370  3.5355  -8.604610      6.271624 
1 1 1 -21 -23 15 o 9.9145  2.9376  4.1631    13.436    -43.0317  31.844    14.385    14.820    9.0221  4.3574  10.807  3.9410  -1.784631      5.875242 
1 1 1 -21 -23 16 o 10.869  4.2598  11.791    18.056    0.0000    0.0000    11.791    18.056    ?       ?       10.869  4.2598  ?              ?        
1 1 1 -21 -23 17 o 38.288  3.4588  208.239   35.088    0.0000    0.0000    208.239   35.088    ?       ?       38.288  3.4588  ?              ?        
1 1 1 -21 -23 18 o 15.132  4.9600  33.873    23.200    0.0000    0.0000    33.873    23.200    ?       ?       15.132  4.9600  ?              ?        
1 1 1 -21 -23 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -23 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -23 21 o 32.073  3.9268  149.645   33.029    149.645   33.029    0.0000    0.0000    32.073  3.9268  ?       ?       ?              ?        
1 1 1 -21 -23 22 o 33.846  2.6258  164.734   23.356    179.808   34.234    151.607   31.945    35.329  3.6714  32.363  3.7550  2.965363       5.251592 
1 1 1 -21 -23 23 o 45.351  2.4501  294.525   29.390    265.427   41.691    323.271   41.438    42.946  3.6592  47.755  3.2590  -4.809322      4.900125 
1 1 1 -21 -23 24 o 28.961  2.9006  124.578   21.719    112.205   31.095    136.364   30.349    27.334  4.3962  30.587  3.7852  -3.252729      5.801242 
1 1 1 -21 -23 25 o 32.272  2.7393  152.174   22.729    189.304   33.230    119.528   31.159    36.273  3.4622  28.271  4.2460  8.002028       5.478623 
1 1 1 -21 -23 26 o 19.346  3.5728  58.438    18.949    76.400    28.422    44.068    25.423    22.023  4.9400  16.670  5.1629  5.353573       7.145521 
1 1 1 -21 -23 27 o 17.918  3.6022  51.602    18.335    42.139    25.836    61.205    26.025    16.258  5.2272  19.577  4.9579  -3.319496      7.204474 
1 1 1 -21 -23 28 o 10.265  3.1161  -0.1549   16.245    -16.3138  23.105    15.644    22.846    8.6334  4.0340  11.896  4.7506  -3.263038      6.232256 
1 1 1 -21 -22 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -22 2  o 18.177  4.7451  50.891    23.350    0.0000    0.0000    50.891    23.350    ?       ?       18.177  4.7451  ?              ?        
1 1 1 -21 -22 3  o 31.560  3.4972  152.499   24.453    146.217   48.256    154.670   28.365    30.084  6.1949  33.037  3.2474  -2.952610      6.994451 
1 1 1 -21 -22 4  o 33.330  2.3498  157.215   20.676    166.117   30.026    149.189   28.512    34.236  3.3159  32.423  3.3304  1.813103       4.699631 
1 1 1 -21 -22 5  o 10.620  2.8687  9.3387    11.564    21.811    18.420    1.2250    14.857    12.665  4.4181  8.5755  3.6604  4.089646       5.737415 
1 1 1 -21 -22 6  o 14.246  2.9544  25.285    12.778    49.489    20.667    10.308    16.257    18.179  4.3099  10.313  4.0421  7.866312       5.908791 
1 1 1 -21 -22 7  o 29.522  2.5315  124.561   19.531    123.810   28.793    125.200   26.582    29.352  3.7479  29.692  3.4039  -0.3398247     5.062949 
1 1 1 -21 -22 8  o 35.935  2.2702  181.482   21.612    187.834   31.046    175.509   30.105    36.552  3.2033  35.317  3.2177  1.235115       4.540403 
1 1 1 -21 -22 9  o 10.720  2.8671  11.594    12.088    -2.4703   19.249    20.750    15.532    9.2174  4.0484  12.222  4.0609  -3.005053      5.734137 
1 1 1 -21 -22 10 o 46.821  2.2492  307.515   27.980    326.935   39.409    287.777   39.731    48.399  3.0557  45.243  3.3014  3.155014       4.498472 
1 1 1 -21 -22 11 o 33.166  2.4126  155.770   21.103    163.791   29.966    147.878   29.724    34.065  3.3267  32.268  3.4950  1.796211       4.825148 
1 1 1 -21 -22 12 o 14.512  3.2112  31.124    14.144    22.872    21.687    37.233    18.658    13.215  4.7753  15.810  4.2946  -2.595447      6.422351 
1 1 1 -21 -22 13 o 37.374  2.3682  197.176   23.382    214.678   33.246    180.048   32.890    39.108  3.2019  35.640  3.4902  3.467377       4.736442 
1 1 1 -21 -22 14 o 8.7939  2.7287  -2.0845   11.896    -0.7899   19.753    -2.8212   14.901    9.5288  4.1449  8.0589  3.5501  1.469902       5.457374 
1 1 1 -21 -22 15 o 28.588  2.5917  117.193   19.352    113.642   27.854    120.506   26.908    28.097  3.7985  29.080  3.5268  -0.9828281     5.183341 
1 1 1 -21 -22 16 f 7.7876  2.5656  -14.1589  12.774    -16.1505  20.380    -12.8701  16.395    8.1806  3.8111  7.3947  3.4360  0.7859578      5.131297 
1 1 1 -21 -22 17 o 41.976  2.3377  248.064   26.071    249.118   36.936    247.017   36.803    42.066  3.3047  41.886  3.3073  0.1802750      4.675389 
1 1 1 -21 -22 18 o 38.363  2.4509  209.003   24.491    254.189   35.290    167.017   34.017    42.602  3.1142  34.125  3.7854  8.476162       4.901786 
1 1 1 -21 -22 19 o 29.821  2.7303  128.311   21.294    129.639   30.351    127.023   29.884    29.969  3.8715  29.672  3.8510  0.2965412      5.460655 
1 1 1 -21 -22 20 o 14.468  3.3950  30.308    15.549    23.942    22.997    35.668    21.103    13.487  4.9107  15.448  4.6892  -1.961474      6.789957 
1 1 1 -21 -22 21 o 27.602  2.9348  115.812   19.953    77.955    28.973    149.965   27.519    22.598  4.9258  32.606  3.1919  -10.00871      5.869538 
1 1 1 -21 -22 22 o 8.1022  2.6733  -18.2219  14.012    -7.1269   21.949    -25.8542  18.205    9.3327  4.1966  6.8717  3.3128  2.461019       5.346591 
1 1 1 -21 -22 23 o 28.563  3.8882  118.490   28.974    0.0000    0.0000    118.490   28.974    ?       ?       28.563  3.8882  ?              ?        
1 1 1 -21 -22 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -22 25 o 19.639  5.0495  60.186    26.709    60.186    26.709    0.0000    0.0000    19.639  5.0495  ?       ?       ?              ?        
1 1 1 -21 -22 26 o 21.764  3.3927  73.073    19.362    89.950    27.910    57.414    26.884    24.436  4.4273  19.092  5.1421  5.343241       6.785449 
1 1 1 -21 -22 27 o 30.035  2.7720  131.899   21.713    144.136   31.836    121.255   29.691    31.380  3.8696  28.690  3.9702  2.690674       5.544013 
1 1 1 -21 -22 28 f 61.288  2.3896  537.480   39.045    561.650   55.343    513.526   55.094    62.749  3.3044  59.827  3.4528  2.921749       4.779210 
1 1 1 -21 -22 29 o 26.038  3.1707  103.832   21.315    103.445   30.161    104.218   30.127    25.979  4.4973  26.097  4.4708  -0.1176434     6.341435 
1 1 1 -21 -22 30 o 38.430  2.5867  217.650   26.099    241.117   36.609    193.396   37.217    40.800  3.3803  36.059  3.9163  4.741295       5.173421 
1 1 1 -21 -22 31 o 17.237  3.3207  46.044    18.460    81.016    26.223    11.684    25.992    22.740  4.4647  11.734  4.9168  11.00599       6.641371 
1 1 1 -21 -21 1  o 22.836  2.7458  75.389    16.034    94.711    23.884    59.537    21.633    25.667  3.5709  20.005  4.1722  5.661238       5.491654 
1 1 1 -21 -21 2  o 9.2121  2.6922  5.0623    10.620    -0.2391   18.027    7.8804    13.143    9.1757  3.9754  9.2484  3.6314  -0.7268524E-01 5.384322 
1 1 1 -21 -21 3  o 25.333  2.6311  93.353    17.108    84.577    25.307    100.740   23.217    24.034  4.0770  26.633  3.3272  -2.599550      5.262294 
1 1 1 -21 -21 4  o 17.927  3.0022  48.161    14.092    45.737    21.669    49.937    18.550    17.415  4.5832  18.439  3.8789  -1.023876      6.004313 
1 1 1 -21 -21 5  o 10.699  2.9052  10.731    11.258    18.329    19.245    6.7790    13.880    12.168  4.4829  9.2291  3.6967  2.939339       5.810493 
1 1 1 -21 -21 6  o 49.371  2.1526  339.723   28.301    359.277   40.413    320.905   39.645    50.808  2.9827  47.935  3.1045  2.873840       4.305128 
1 1 1 -21 -21 7  o 9.9811  2.8078  8.3257    10.835    10.691    18.262    7.0408    13.459    10.776  4.2649  9.1863  3.6532  1.589687       5.615586 
1 1 1 -21 -21 8  o 29.340  2.4541  123.276   18.670    107.985   27.086    137.117   25.770    27.415  3.7900  31.266  3.1188  -3.850153      4.908244 
1 1 1 -21 -21 9  o 16.821  3.1584  42.388    14.425    40.709    21.764    43.703    19.263    16.485  4.6998  17.157  4.2208  -0.6719856     6.316873 
1 1 1 -21 -21 10 o 21.028  2.9529  64.894    16.037    70.686    23.217    59.609    22.178    21.978  4.0945  20.079  4.2559  1.899555       5.905765 
1 1 1 -21 -21 11 o 10.313  2.8780  9.7032    11.628    9.6600    17.874    9.7349    15.311    10.556  4.2062  10.070  3.9293  0.4867268      5.755955 
1 1 1 -21 -21 12 o 30.139  2.4880  129.174   19.561    145.396   27.797    113.260   27.532    32.150  3.2736  28.128  3.7476  4.022381       4.976100 
1 1 1 -21 -21 13 o 11.528  2.9245  15.717    12.181    4.2357    18.228    24.983    16.374    9.8400  4.1199  13.215  4.1516  -3.375187      5.848925 
1 1 1 -21 -21 14 o 11.663  2.5193  10.982    12.003    -23.5508  17.913    39.119    16.170    6.9759  3.3434  16.350  3.7694  -9.374386      5.038515 
1 1 1 -21 -21 15 o 36.629  2.3351  188.559   22.658    187.391   32.318    189.687   31.774    36.495  3.3433  36.762  3.2607  -0.2670174     4.670121 
1 1 1 -21 -21 16 f 38.786  2.3370  211.714   23.980    197.023   34.111    226.069   33.719    37.367  3.4471  40.206  3.1565  -2.839157      4.673901 
1 1 1 -21 -21 17 o 48.193  2.2672  325.475   28.906    369.499   41.218    282.868   40.549    51.547  2.9983  44.840  3.4015  6.706768       4.534361 
1 1 1 -21 -21 18 o 49.653  2.2988  345.347   30.373    364.528   43.187    326.575   42.724    51.073  3.1727  48.232  3.3274  2.841721       4.597575 
1 1 1 -21 -21 19 o 50.110  2.2653  352.741   30.043    309.604   42.529    395.709   42.446    46.887  3.4098  53.334  2.9833  -6.446522      4.530644 
1 1 1 -21 -21 20 o 36.306  2.3685  185.665   22.666    208.979   32.764    164.266   31.388    38.584  3.1992  34.028  3.4934  4.555305       4.736928 
1 1 1 -21 -21 21 o 15.844  3.3559  37.551    16.121    22.674    23.637    50.488    22.042    13.377  4.9605  18.310  4.5213  -4.933652      6.711857 
1 1 1 -21 -21 22 o 7.4755  2.4634  -17.0815  12.559    -32.7927  19.113    -5.1424   16.661    6.6952  3.2664  8.2557  3.6883  -1.560446      4.926752 
1 1 1 -21 -21 23 f 30.938  2.5463  136.599   20.677    146.031   30.008    128.073   28.530    31.984  3.5634  29.893  3.6383  2.090790       5.092677 
1 1 1 -21 -21 24 o 23.802  3.0982  84.323    18.852    110.223   27.493    61.339    25.899    27.596  3.8221  20.008  4.8771  7.588633       6.196329 
1 1 1 -21 -21 25 o 18.574  2.9851  52.295    17.540    4.0888    25.234    97.356    24.397    11.142  4.7635  26.005  3.5990  -14.86308      5.970258 
1 1 1 -21 -21 26 o 32.358  3.6511  150.480   31.091    0.0000    0.0000    150.480   31.091    ?       ?       32.358  3.6511  ?              ?        
1 1 1 -21 -21 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -21 28 o 29.982  2.8692  132.612   22.271    149.068   31.557    116.281   31.436    32.057  3.7458  27.908  4.3471  4.149708       5.738328 
1 1 1 -21 -21 29 o 25.172  3.0745  95.576    19.862    111.147   28.412    80.693    27.777    27.439  3.9822  22.906  4.6854  4.533287       6.149035 
1 1 1 -21 -21 30 o 15.666  3.5905  38.003    17.405    31.107    24.721    44.781    24.508    14.503  5.1141  16.829  5.0411  -2.325336      7.180997 
1 1 1 -21 -21 31 o 16.420  3.5778  41.785    18.439    22.663    25.892    61.461    26.264    13.254  5.1269  19.586  4.9918  -6.332569      7.155604 
1 1 1 -21 -21 32 o 25.094  3.1856  99.511    20.274    71.385    28.743    127.356   28.600    20.888  5.1662  29.300  3.7287  -8.411970      6.371228 
1 1 1 -21 -20 1  o 26.974  2.5955  107.509   17.522    80.443    25.677    131.096   23.970    23.345  4.2635  30.603  2.9612  -7.257986      5.190978 
1 1 1 -21 -20 2  o 10.774  2.6546  13.014    11.065    -9.4741   18.456    25.632    13.825    8.2865  3.7745  13.261  3.7337  -4.974586      5.309161 
1 1 1 -21 -20 3  o 12.574  2.7337  16.742    10.993    40.622    18.217    3.0640    13.787    16.552  4.1239  8.5959  3.5897  7.956562       5.467417 
1 1 1 -21 -20 4  o 14.507  3.0372  31.391    12.891    22.909    19.993    37.427    16.864    13.079  4.6005  15.935  3.9666  -2.856078      6.074427 
1 1 1 -21 -20 5  o 45.232  2.1456  285.362   25.701    319.661   36.531    251.745   36.166    48.039  2.8519  42.425  3.2063  5.613850       4.291142 
1 1 1 -21 -20 6  o 7.4319  2.4030  -8.6648   10.464    -8.0682   16.610    -9.0574   13.475    7.9517  3.6060  6.9122  3.1771  1.039522       4.805973 
1 1 1 -21 -20 7  o 25.805  2.4562  94.101    16.504    102.603   24.272    86.790    22.509    26.911  3.4465  24.699  3.5004  2.212179       4.912303 
1 1 1 -21 -20 8  o 22.977  2.6712  75.683    15.822    84.945    23.040    67.417    21.765    24.385  3.6390  21.569  3.9115  2.815695       5.342485 
1 1 1 -21 -20 9  o 36.958  2.2084  191.306   21.455    218.592   30.352    164.056   30.332    39.733  2.8714  34.183  3.3561  5.549278       4.416807 
1 1 1 -21 -20 10 o 28.801  2.3989  117.038   18.123    113.107   25.970    120.769   25.302    28.277  3.5040  29.325  3.2773  -1.048637      4.797742 
1 1 1 -21 -20 11 o 12.417  2.8195  20.273    11.856    3.8751    17.802    33.342    15.893    9.7274  4.0721  15.107  3.9007  -5.379842      5.638937 
1 1 1 -21 -20 12 o 45.181  2.1705  283.552   26.090    292.763   36.671    274.110   37.127    45.966  2.9949  44.396  3.1424  1.569115       4.340977 
1 1 1 -21 -20 13 o 43.560  2.1718  263.486   25.175    264.311   35.459    262.648   35.749    43.638  3.0529  43.482  3.0896  0.1563263      4.343518 
1 1 1 -21 -20 14 o 10.292  2.8757  1.9967    12.643    22.618    19.869    -12.0345  16.389    13.078  4.5870  7.5066  3.4695  5.571498       5.751393 
1 1 1 -21 -20 15 o 29.420  2.5271  123.915   19.161    103.526   27.571    142.961   26.647    26.850  3.9519  31.990  3.1508  -5.140165      5.054252 
1 1 1 -21 -20 16 o 40.888  2.2510  233.056   24.458    233.315   34.640    232.800   34.538    40.909  3.1865  40.867  3.1804  0.4236603E-01  4.502059 
1 1 1 -21 -20 17 o 19.343  3.1335  55.941    15.810    51.312    23.999    59.491    21.014    18.491  4.8026  20.195  4.0261  -1.703817      6.266904 
1 1 1 -21 -20 18 o 49.788  2.1905  344.661   29.057    355.760   41.262    333.742   40.927    50.609  3.0583  48.967  3.1370  1.641888       4.381060 
1 1 1 -21 -20 19 f 24.721  2.7839  90.565    17.254    65.223    24.835    114.210   23.989    20.930  4.5590  28.512  3.1963  -7.581324      5.567860 
1 1 1 -21 -20 20 o 38.133  2.3042  203.947   23.289    195.373   32.963    212.491   32.908    37.287  3.3357  38.978  3.1797  -1.691719      4.608423 
1 1 1 -21 -20 21 o 16.638  3.0904  41.565    15.354    17.087    22.350    63.442    21.129    12.415  4.7741  20.860  3.9256  -8.444629      6.180788 
1 1 1 -21 -20 22 o 38.287  2.2733  205.699   23.094    202.612   32.702    208.770   32.619    37.983  3.2455  38.592  3.1840  -0.6095695     4.546605 
1 1 1 -21 -20 23 o 64.109  2.2744  574.690   38.969    559.546   55.283    589.646   54.940    63.182  3.2779  65.036  3.1539  -1.853706      4.548807 
1 1 1 -21 -20 24 o 30.772  2.6517  136.894   20.800    171.841   29.837    103.856   29.011    34.930  3.2255  26.614  4.2097  8.315825       5.303393 
1 1 1 -21 -20 25 o 22.326  3.0064  73.639    17.300    82.827    25.151    65.389    23.833    23.744  4.1031  20.908  4.3953  2.836277       6.012834 
1 1 1 -21 -20 26 o 7.7780  2.5663  -19.9095  13.696    -36.1027  19.674    -4.6827   19.078    6.6491  3.2588  8.9070  3.9654  -2.257884      5.132611 
1 1 1 -21 -20 27 o 9.6122  2.7510  -15.7050  14.006    25.024    20.574    -50.8823  19.120    13.412  4.6698  5.8126  2.9094  7.599235       5.501931 
1 1 1 -21 -20 28 o 15.241  4.8973  34.782    22.680    0.0000    0.0000    34.782    22.680    ?       ?       15.241  4.8973  ?              ?        
1 1 1 -21 -20 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -20 30 o 32.185  2.7212  151.138   22.982    155.471   32.471    146.789   32.530    32.699  3.7770  31.671  3.9183  1.027777       5.442311 
1 1 1 -21 -20 31 f 28.537  2.9054  121.504   21.384    106.124   30.296    136.773   30.187    26.484  4.4271  30.589  3.7639  -4.104437      5.810811 
1 1 1 -21 -20 32 o 9.2651  2.8993  -8.6883   15.405    9.6740    20.910    -30.4877  22.783    10.876  4.4699  7.6540  3.6939  3.222222       5.798694 
1 1 1 -21 -20 33 o 34.104  2.6759  172.518   23.834    151.670   33.686    193.419   33.728    31.791  4.0479  36.418  3.5009  -4.626749      5.351751 
1 1 1 -21 -20 34 f 23.212  3.4683  87.257    20.939    71.729    29.346    103.363   29.886    20.735  5.2721  25.690  4.5078  -4.954723      6.936551 
1 1 1 -21 -19 1  o 15.579  2.8151  37.129    12.733    16.923    19.190    53.022    17.019    11.949  4.4619  19.209  3.4339  -7.259757      5.630287 
1 1 1 -21 -19 2  o 24.291  2.4328  84.020    15.359    81.464    22.113    86.404    21.349    23.876  3.5671  24.706  3.3092  -0.8299179     4.865668 
1 1 1 -21 -19 3  o 8.0414  2.4548  -1.6418   9.1828    4.7831    15.873    -4.8737   11.258    9.4000  3.8823  6.6828  3.0052  2.717213       4.909534 
1 1 1 -21 -19 4  o 39.570  2.1316  217.517   22.417    214.221   31.865    220.747   31.542    39.253  3.0549  39.888  2.9737  -0.6345367     4.263229 
1 1 1 -21 -19 5  f 35.605  2.2014  176.643   20.618    203.704   29.616    151.192   28.721    38.358  2.9041  32.851  3.3092  5.507240       4.402770 
1 1 1 -21 -19 6  o 39.480  2.1171  215.972   22.220    215.347   31.582    216.584   31.266    39.414  3.0144  39.546  2.9736  -0.1315460     4.234254 
1 1 1 -21 -19 7  o 12.395  2.8337  19.722    10.555    28.424    17.336    14.596    13.306    14.066  4.2456  10.723  3.7542  3.342572       5.667395 
1 1 1 -21 -19 8  o 22.314  2.6593  71.680    15.234    62.733    21.824    80.184    21.276    20.806  4.0619  23.823  3.4335  -3.016453      5.318643 
1 1 1 -21 -19 9  o 18.993  2.8596  52.367    14.097    53.945    20.281    50.893    19.608    19.271  4.0574  18.715  4.0308  0.5563736      5.719249 
1 1 1 -21 -19 10 o 28.153  2.4146  112.025   17.623    96.109    25.140    127.403   24.712    26.033  3.7104  30.272  3.0911  -4.239115      4.829215 
1 1 1 -21 -19 11 o 22.539  2.7138  72.606    15.700    85.929    22.737    60.466    21.704    24.655  3.5449  20.423  4.1100  4.232409       5.427550 
1 1 1 -21 -19 12 o 16.743  3.1085  40.988    14.104    43.301    20.536    38.924    19.404    17.175  4.4337  16.312  4.3582  0.8636112      6.217072 
1 1 1 -21 -19 13 o 36.918  2.2329  189.859   21.614    158.148   30.307    222.681   30.833    33.641  3.4106  40.195  2.8830  -6.553543      4.465860 
1 1 1 -21 -19 14 o 31.860  2.3351  141.582   19.632    145.583   28.057    137.744   27.481    32.310  3.2878  31.409  3.3167  0.9010258      4.670130 
1 1 1 -21 -19 15 o 16.292  2.9834  39.549    13.573    25.733    20.056    51.225    18.437    13.726  4.6153  18.858  3.7817  -5.132468      5.966727 
1 1 1 -21 -19 16 o 24.683  2.7817  88.241    17.522    72.792    25.201    102.697   24.378    22.349  4.3666  27.018  3.4473  -4.669037      5.563317 
1 1 1 -21 -19 17 o 34.955  2.3165  170.339   21.346    189.428   30.609    152.264   29.784    36.939  3.1230  32.972  3.4224  3.966984       4.633093 
1 1 1 -21 -19 18 o 27.877  2.4244  109.269   17.705    115.306   25.390    103.555   24.700    28.657  3.3724  27.097  3.4839  1.560417       4.848775 
1 1 1 -21 -19 19 o 30.340  2.4114  129.872   19.135    117.110   27.336    142.134   26.795    28.764  3.6288  31.916  3.1767  -3.151487      4.822794 
1 1 1 -21 -19 20 o 26.177  2.6985  99.145    18.072    83.978    26.238    112.835   24.928    24.033  4.2305  28.321  3.3511  -4.288433      5.396973 
1 1 1 -21 -19 21 o 35.428  2.2671  175.259   21.270    182.888   30.509    168.044   29.669    36.195  3.1791  34.661  3.2331  1.534695       4.534243 
1 1 1 -21 -19 22 o 56.821  2.1818  448.524   33.079    449.994   47.039    447.085   46.528    56.906  3.0978  56.737  3.0731  0.1683464      4.363504 
1 1 1 -21 -19 23 o 30.298  2.4711  131.331   19.407    113.673   28.123    147.387   26.816    28.149  3.8294  32.446  3.1242  -4.297520      4.942138 
1 1 1 -21 -19 24 o 18.324  3.1509  50.119    15.298    52.636    22.301    47.882    21.025    18.748  4.4985  17.901  4.4131  0.8472099      6.301732 
1 1 1 -21 -19 25 o 18.751  3.3261  53.219    16.738    59.564    23.745    46.951    23.599    19.913  4.5511  17.589  4.8517  2.324417       6.652172 
1 1 1 -21 -19 26 o 52.708  2.2024  388.557   30.946    399.427   43.980    377.898   43.552    53.461  3.0844  51.954  3.1445  1.507362       4.404741 
1 1 1 -21 -19 27 o 23.954  2.9571  84.657    18.272    88.163    25.770    81.112    25.912    24.522  4.0660  23.387  4.2949  1.134975       5.914288 
1 1 1 -21 -19 28 o 38.695  2.3653  212.398   24.224    200.604   34.519    223.841   34.001    37.548  3.4716  39.841  3.2135  -2.293617      4.730628 
1 1 1 -21 -19 29 o 19.644  3.3797  60.068    18.061    41.741    25.930    77.337    25.171    16.511  5.2292  22.776  4.2831  -6.264975      6.759395 
1 1 1 -21 -19 30 o 45.281  3.9846  297.600   47.835    0.0000    0.0000    297.600   47.835    ?       ?       45.281  3.9846  ?              ?        
1 1 1 -21 -19 31 o 16.773  4.9741  43.677    23.950    43.677    23.950    0.0000    0.0000    16.773  4.9741  ?       ?       ?              ?        
1 1 1 -21 -19 32 o 32.942  2.6903  159.215   22.860    190.933   32.611    128.573   32.053    36.501  3.3738  29.383  4.1916  7.117903       5.380691 
1 1 1 -21 -19 33 o 11.727  3.2837  11.101    16.483    27.632    23.027    -6.2683   23.604    13.821  4.9291  9.6333  4.3399  4.187264       6.567434 
1 1 1 -21 -19 34 o 18.102  3.6031  52.470    18.646    38.121    25.588    68.717    27.228    15.519  5.2131  20.685  4.9753  -5.165207      7.206263 
1 1 1 -21 -19 35 o 14.448  3.6330  32.442    17.658    32.457    24.277    32.425    25.729    14.428  5.0698  14.468  5.2050  -0.4034519E-01 7.266013 
1 1 1 -21 -18 1  o 15.216  2.8439  34.693    12.386    19.775    18.504    46.802    16.671    12.414  4.4195  18.018  3.5805  -5.604058      5.687874 
1 1 1 -21 -18 2  o 12.333  2.8734  20.987    11.023    17.369    17.223    23.497    14.347    11.825  4.2581  12.841  3.8593  -1.015281      5.746749 
1 1 1 -21 -18 3  o 31.402  2.2334  138.011   18.294    161.761   26.049    114.899   25.697    34.209  2.8695  28.595  3.4231  5.614334       4.466723 
1 1 1 -21 -18 4  o 27.053  2.3463  102.941   16.550    93.309    23.629    112.216   23.187    25.715  3.5233  28.391  3.0995  -2.676302      4.692650 
1 1 1 -21 -18 5  o 6.9410  2.2430  -7.9006   8.7567    -4.8464   15.060    -9.4606   10.763    7.9196  3.5246  5.9624  2.7750  1.957211       4.485924 
1 1 1 -21 -18 6  o 30.096  2.2271  126.485   17.563    113.606   25.182    138.684   24.508    28.506  3.3628  31.685  2.9207  -3.178413      4.454106 
1 1 1 -21 -18 7  o 25.990  2.3223  94.214    15.776    101.797   22.835    87.288    21.822    27.024  3.2180  24.957  3.3490  2.067427       4.644521 
1 1 1 -21 -18 8  o 13.335  2.5974  20.461    10.966    46.021    17.135    2.7311    14.272    17.918  3.6932  8.7513  3.6532  9.166411       5.194793 
1 1 1 -21 -18 9  o 17.693  2.8088  46.732    13.250    29.143    19.410    62.081    18.132    14.388  4.5202  20.997  3.3356  -6.608929      5.617682 
1 1 1 -21 -18 10 o 69.846  2.1838  669.106   40.852    678.988   57.802    659.244   57.746    70.373  3.0665  69.320  3.1101  1.053726       4.367654 
1 1 1 -21 -18 11 o 24.167  2.5431  82.338    15.915    90.004    22.726    74.959    22.295    25.343  3.4366  22.992  3.7495  2.350677       5.086173 
1 1 1 -21 -18 12 o 27.116  2.3629  102.843   16.561    122.579   23.811    84.350    23.049    29.772  3.0281  24.460  3.6281  5.312229       4.725718 
1 1 1 -21 -18 13 f 54.089  2.1366  401.999   30.823    408.605   43.339    395.239   43.845    54.560  2.9769  53.618  3.0656  0.9416504      4.273190 
1 1 1 -21 -18 14 o 52.700  2.1287  382.272   29.843    411.108   42.077    353.083   42.333    54.766  2.8785  50.634  3.1369  4.132679       4.257451 
1 1 1 -21 -18 15 o 9.8466  2.8086  6.6229    11.245    8.2323    17.652    5.5238    14.588    10.410  4.1691  9.2836  3.7645  1.125999       5.617195 
1 1 1 -21 -18 16 o 16.273  3.0450  38.921    14.574    17.877    21.402    57.117    19.901    12.582  4.7093  19.963  3.8615  -7.380767      6.090017 
1 1 1 -21 -18 17 o 10.540  2.8057  9.9926    11.572    -2.2291   17.211    20.077    15.633    8.8462  3.8580  12.233  4.0746  -3.386871      5.611316 
1 1 1 -21 -18 18 o 28.001  2.4930  112.144   17.639    82.891    25.061    140.863   24.831    24.068  4.0300  31.933  2.9360  -7.865208      4.986034 
1 1 1 -21 -18 19 o 11.969  2.7261  11.676    12.438    38.347    17.996    -12.7166  17.210    16.231  4.1295  7.7078  3.5600  8.522837       5.452154 
1 1 1 -21 -18 20 o 16.139  2.3729  34.085    13.642    -18.0096  19.640    82.655    18.964    7.9117  3.7040  24.365  2.9671  -16.45369      4.745861 
1 1 1 -21 -18 21 o 8.6779  2.5921  -8.9020   11.686    13.834    17.452    -27.3837  15.734    11.243  4.2435  6.1129  2.9782  5.130115       5.184263 
1 1 1 -21 -18 22 o 26.265  2.5496  97.588    17.440    101.333   25.481    94.287    23.920    26.726  3.6554  25.804  3.5552  0.9216518      5.099174 
1 1 1 -21 -18 23 o 29.990  2.3773  127.377   18.562    111.534   26.725    142.144   25.802    28.033  3.6455  31.947  3.0524  -3.914278      4.754680 
1 1 1 -21 -18 24 o 47.220  2.1611  309.842   27.171    300.080   38.513    319.516   38.340    46.444  3.1139  47.996  2.9973  -1.551338      4.322109 
1 1 1 -21 -18 25 o 29.566  2.4712  123.908   19.179    123.450   27.564    124.338   26.704    29.482  3.5629  29.651  3.4254  -0.1696014     4.942444 
1 1 1 -21 -18 26 o 15.739  3.2422  36.957    14.543    33.745    21.045    39.894    20.121    15.137  4.6989  16.342  4.4685  -1.204532      6.484317 
1 1 1 -21 -18 27 o 42.240  2.2577  250.361   25.350    246.217   35.899    254.482   35.803    41.870  3.2259  42.611  3.1595  -0.7403679     4.515369 
1 1 1 -21 -18 28 o 18.425  3.3605  51.414    16.744    59.117    24.421    44.581    23.001    19.734  4.6894  17.116  4.8148  2.617737       6.721087 
1 1 1 -21 -18 29 o 56.219  2.2384  443.913   33.534    467.888   47.559    420.210   47.289    57.800  3.0831  54.639  3.2458  3.160942       4.476735 
1 1 1 -21 -18 30 o 20.449  3.3426  63.936    17.942    63.766    25.541    64.101    25.211    20.406  4.7602  20.493  4.6940  -0.8658218E-01 6.685274 
1 1 1 -21 -18 31 o 11.190  3.5381  -22.3065  18.199    28.933    39.547    -36.0728  20.498    15.535  6.2336  6.8456  3.3490  8.689213       7.076285 
1 1 1 -21 -18 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -18 33 o 27.611  2.8641  113.205   20.468    122.526   28.811    103.708   29.082    28.924  3.8117  26.297  4.2758  2.627306       5.728172 
1 1 1 -21 -18 34 o 24.430  3.2602  92.090    20.535    98.939    29.061    85.261    29.019    25.487  4.4171  23.372  4.7963  2.114635       6.520366 
1 1 1 -21 -18 35 o 22.625  3.4780  82.558    20.642    102.810   29.083    61.999    29.302    25.913  4.3440  19.337  5.4327  6.576447       6.955910 
1 1 1 -21 -18 36 o 11.474  3.3497  5.0839    18.043    -15.7319  24.640    29.151    26.495    8.9418  4.1740  14.006  5.2402  -5.063780      6.699409 
1 1 1 -21 -17 1  o 25.101  2.3436  88.594    15.314    81.377    21.729    95.717    21.587    24.010  3.4802  26.192  3.1397  -2.181316      4.687113 
1 1 1 -21 -17 2  o 31.425  3.5673  159.462   23.358    173.614   26.868    115.663   47.266    35.504  2.8493  27.346  6.5410  8.158283       7.134619 
1 1 1 -21 -17 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -17 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -17 5  o 11.522  4.1218  16.160    16.114    0.0000    0.0000    16.160    16.114    ?       ?       11.522  4.1218  ?              ?        
1 1 1 -21 -17 6  o 9.8830  3.4550  12.089    11.268    0.0000    0.0000    12.089    11.268    ?       ?       9.8830  3.4550  ?              ?        
1 1 1 -21 -17 7  o 27.046  3.1890  105.176   19.890    103.425   37.752    105.848   23.401    26.477  5.5030  27.616  3.2243  -1.139643      6.377970 
1 1 1 -21 -17 8  o 25.938  2.3468  94.524    15.678    78.245    22.297    110.441   22.048    23.575  3.6490  28.301  2.9520  -4.725906      4.693562 
1 1 1 -21 -17 9  f 67.372  2.1094  619.700   38.060    609.353   53.860    630.020   53.791    66.799  3.0103  67.946  2.9557  -1.146973      4.218749 
1 1 1 -21 -17 10 f 19.388  2.7433  57.370    13.902    26.286    20.248    85.092    19.121    13.961  4.6365  24.816  2.9335  -10.85505      5.486541 
1 1 1 -21 -17 11 o 41.573  2.0571  236.945   22.709    218.524   32.005    255.621   32.226    39.902  3.0169  43.244  2.7972  -3.341835      4.114153 
1 1 1 -21 -17 12 o 25.741  2.4180  92.518    16.020    111.608   23.150    74.977    22.191    28.423  3.0906  23.058  3.7197  5.365183       4.836063 
1 1 1 -21 -17 13 o 60.333  2.7412  492.088   40.512    538.480   74.762    472.803   48.203    61.916  4.5397  58.751  3.0738  3.165028       5.482431 
1 1 1 -21 -17 14 o 64.288  3.0507  564.616   52.532    0.0000    0.0000    564.616   52.532    ?       ?       64.288  3.0507  ?              ?        
1 1 1 -21 -17 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -17 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -17 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -17 18 o 15.220  3.7629  27.508    16.507    24.399    18.748    38.224    34.812    13.439  4.4614  17.000  6.0608  -3.560553      7.525817 
1 1 1 -21 -17 19 o 18.536  2.6783  50.089    13.838    89.437    20.061    14.370    19.114    25.397  3.0075  11.676  4.4327  13.72080       5.356668 
1 1 1 -21 -17 20 o 22.125  2.7247  71.029    15.342    57.044    22.326    83.541    21.118    19.819  4.3271  24.432  3.3123  -4.613785      5.449368 
1 1 1 -21 -17 21 o 28.365  2.4072  112.648   17.892    109.432   25.771    115.640   24.859    27.927  3.5237  28.803  3.2807  -0.8761711     4.814478 
1 1 1 -21 -17 22 o 28.955  2.3807  117.458   17.916    137.432   25.717    98.622    24.973    31.475  3.0903  26.435  3.6222  5.039608       4.761396 
1 1 1 -21 -17 23 o 42.450  2.1443  249.099   24.214    249.095   34.655    249.103   33.847    42.434  3.0698  42.467  2.9949  -0.3292847E-01 4.288681 
1 1 1 -21 -17 24 o 32.725  2.2977  149.523   19.838    160.245   28.282    139.140   27.833    33.931  3.1478  31.520  3.3480  2.410965       4.595386 
1 1 1 -21 -17 25 o 11.326  3.0629  13.632    12.973    12.580    18.479    14.654    18.215    11.176  4.3290  11.475  4.3343  -0.2992382     6.125876 
1 1 1 -21 -17 26 o 32.491  2.3424  148.590   20.050    141.440   28.787    155.327   27.942    31.660  3.4505  33.322  3.1688  -1.661491      4.684790 
1 1 1 -21 -17 27 o 38.748  2.2678  210.283   23.317    210.904   33.440    209.695   32.530    38.782  3.2491  38.714  3.1647  0.6761551E-01  4.535655 
1 1 1 -21 -17 28 o 13.782  3.2864  26.741    14.395    24.872    20.259    28.646    20.459    13.429  4.6362  14.134  4.6590  -0.7053604     6.572733 
1 1 1 -21 -17 29 o 29.710  2.6517  128.836   20.041    99.943    28.593    156.736   28.097    26.064  4.2415  33.355  3.1836  -7.290810      5.303368 
1 1 1 -21 -17 30 o 19.779  3.3069  59.556    17.243    59.710    24.268    59.400    24.503    19.816  4.6520  19.742  4.7013  0.7352257E-01  6.613865 
1 1 1 -21 -17 31 o 12.038  3.3086  15.701    15.443    20.375    21.384    10.607    22.325    12.685  4.7154  11.390  4.6426  1.295064       6.617293 
1 1 1 -21 -17 32 o 22.784  3.1213  78.090    18.359    80.087    26.136    76.144    25.795    23.094  4.3857  22.474  4.4426  0.6195030      6.242661 
1 1 1 -21 -17 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -17 34 o 18.312  3.7405  53.286    19.368    48.141    26.409    59.275    28.489    17.414  5.2366  19.211  5.3425  -1.797558      7.480995 
1 1 1 -21 -17 35 o 19.085  3.5956  57.789    18.932    45.501    25.860    71.982    27.792    16.866  5.2043  21.304  4.9628  -4.438074      7.191217 
1 1 1 -21 -17 36 o 14.825  3.7016  33.813    18.637    41.001    25.414    25.451    27.413    15.966  5.1892  13.683  5.2802  2.283153       7.403269 
1 1 1 -21 -17 37 o 9.7351  3.0642  -2.7744   16.349    4.8538    22.359    -11.5376  23.965    10.362  4.4583  9.1083  4.2048  1.253654       6.128363 
1 1 1 -21 -16 1  o 17.462  2.6820  44.895    12.219    33.371    18.052    54.640    16.601    15.220  4.2599  19.703  3.2595  -4.482902      5.363914 
1 1 1 -21 -16 2  o 30.971  2.1083  132.254   17.270    135.031   24.429    129.479   24.418    31.308  2.9478  30.633  3.0150  0.6751785      4.216588 
1 1 1 -21 -16 3  o 15.792  2.7565  35.653    11.537    37.792    17.315    33.945    15.473    16.202  4.0113  15.382  3.7819  0.8194265      5.513012 
1 1 1 -21 -16 4  o 24.497  2.2731  83.338    14.483    93.707    20.888    73.739    20.098    26.028  3.0543  22.965  3.3673  3.063084       4.546139 
1 1 1 -21 -16 5  o 19.348  2.5123  52.196    12.391    73.875    18.638    35.023    16.589    23.069  3.0944  15.627  3.9587  7.442134       5.024641 
1 1 1 -21 -16 6  o 34.924  2.0622  167.241   19.098    175.394   27.083    159.179   26.933    35.795  2.8484  34.054  2.9829  1.741276       4.124420 
1 1 1 -21 -16 7  o 10.830  2.5870  13.104    10.149    -2.5070   15.421    25.030    13.479    8.3673  3.6505  13.292  3.6667  -4.925044      5.174036 
1 1 1 -21 -16 8  o 47.575  2.0189  309.098   25.578    324.428   36.080    293.610   36.265    48.791  2.7723  46.359  2.9357  2.431850       4.037820 
1 1 1 -21 -16 9  o 33.026  2.1038  149.661   18.398    143.980   26.021    155.341   26.018    32.378  3.0359  33.674  2.9133  -1.295555      4.207588 
1 1 1 -21 -16 10 f 30.231  2.1705  126.002   17.278    134.764   24.263    116.987   24.610    31.347  2.9234  29.116  3.2090  2.231602       4.340971 
1 1 1 -21 -16 11 o 62.808  2.0902  537.730   35.006    489.582   49.137    587.352   49.884    59.873  3.0744  65.744  2.8328  -5.871937      4.180465 
1 1 1 -21 -16 12 o 59.405  2.0675  479.970   32.895    475.555   46.280    484.478   46.765    59.130  2.9221  59.681  2.9255  -0.5511360     4.134913 
1 1 1 -21 -16 13 o 9.4868  2.5900  7.4343    9.7574    -1.4873   15.173    13.725    12.741    8.4366  3.6512  10.537  3.6745  -2.100482      5.180063 
1 1 1 -21 -16 14 o 17.027  2.9270  41.451    13.514    55.264    19.421    28.486    18.816    19.737  3.8118  14.317  4.4428  5.419463       5.853940 
1 1 1 -21 -16 15 o 40.122  2.0560  220.128   21.943    219.982   31.206    220.270   30.862    40.104  2.9253  40.140  2.8898  -0.3655243E-01 4.112007 
1 1 1 -21 -16 16 o 16.441  2.8201  38.235    12.908    57.611    18.721    20.674    17.823    20.209  3.5900  12.673  4.3501  7.535705       5.640168 
1 1 1 -21 -16 17 o 54.869  2.0606  411.270   30.155    394.551   42.635    428.006   42.657    53.728  2.9742  56.010  2.8528  -2.282269      4.121194 
1 1 1 -21 -16 18 o 36.268  2.0924  180.422   20.137    181.500   29.006    179.419   27.978    36.359  3.0054  36.176  2.9121  0.1831055      4.184772 
1 1 1 -21 -16 19 o 34.721  3.7248  167.971   34.100    0.0000    0.0000    167.971   34.100    ?       ?       34.721  3.7248  ?              ?        
1 1 1 -21 -16 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -16 21 o 15.584  3.6551  23.066    15.957    12.815    18.102    58.791    33.793    11.253  4.3038  19.915  5.9090  -8.662006      7.310228 
1 1 1 -21 -16 22 o 49.418  2.0997  337.013   27.476    296.569   39.108    376.433   38.610    46.382  3.1669  52.454  2.7578  -6.071621      4.199333 
1 1 1 -21 -16 23 o 12.813  2.6212  16.113    12.719    -16.0212  18.312    46.070    17.680    7.7312  3.6053  17.895  3.8059  -10.16333      5.242406 
1 1 1 -21 -16 24 o 20.978  2.8290  64.369    15.213    49.734    21.824    78.200    21.217    18.412  4.4702  23.543  3.4684  -5.131212      5.657942 
1 1 1 -21 -16 25 o 29.942  2.4189  126.211   18.945    115.105   27.133    136.774   26.463    28.554  3.6298  31.330  3.1984  -2.775864      4.837837 
1 1 1 -21 -16 26 o 42.172  2.1593  246.418   24.219    253.122   34.700    240.051   33.818    42.734  3.0516  41.609  3.0558  1.125179       4.318580 
1 1 1 -21 -16 27 o 45.986  2.1366  293.514   26.105    319.219   37.230    268.652   36.614    48.034  2.9074  43.939  3.1316  4.095631       4.273183 
1 1 1 -21 -16 28 o 38.638  2.2698  209.174   23.242    197.634   32.940    220.617   32.799    37.515  3.3121  39.760  3.1044  -2.244640      4.539576 
1 1 1 -21 -16 29 o 15.335  3.3648  34.792    15.256    34.276    21.193    35.348    21.979    15.226  4.7134  15.445  4.8033  -0.2184238     6.729614 
1 1 1 -21 -16 30 o 51.714  2.2127  374.474   30.500    383.980   43.344    365.150   42.926    52.385  3.1029  51.043  3.1552  1.341648       4.425331 
1 1 1 -21 -16 31 o 34.840  2.4775  173.576   22.667    154.921   32.107    192.110   32.004    32.823  3.7177  36.858  3.2759  -4.035561      4.955044 
1 1 1 -21 -16 32 o 62.071  2.3439  544.565   38.803    522.822   54.780    566.461   54.973    60.761  3.3793  63.382  3.2490  -2.620586      4.687878 
1 1 1 -21 -16 33 o 36.615  2.5467  193.445   24.487    175.024   35.140    210.834   34.143    34.732  3.8416  38.498  3.3444  -3.765827      5.093412 
1 1 1 -21 -16 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -16 35 o 37.412  2.6186  204.227   25.679    229.288   36.244    178.969   36.386    39.955  3.4197  34.868  3.9665  5.086403       5.237146 
1 1 1 -21 -16 36 f 11.742  3.2676  9.1682    16.477    -10.1393  22.535    31.347    24.152    9.0419  4.1385  14.442  5.0578  -5.399749      6.535185 
1 1 1 -21 -16 37 o 15.693  3.8681  39.548    20.056    44.233    28.208    34.759    28.521    16.402  5.4738  14.985  5.4668  1.417374       7.736164 
1 1 1 -21 -16 38 o 19.353  3.8929  64.449    21.254    74.023    30.782    55.726    29.384    20.771  5.4606  17.935  5.5497  2.836222       7.785759 
1 1 1 -21 -15 1  o 25.894  2.2327  92.927    15.081    104.474   21.650    82.040    21.021    27.524  2.9844  24.265  3.3216  3.259590       4.465384 
1 1 1 -21 -15 2  o 50.847  1.9849  352.758   26.914    340.894   38.096    364.581   38.029    49.973  2.8579  51.720  2.7551  -1.746155      3.969706 
1 1 1 -21 -15 3  o 53.492  2.0099  390.263   28.674    406.214   40.528    374.276   40.574    54.611  2.7799  52.374  2.9037  2.236599       4.019862 
1 1 1 -21 -15 4  o 38.492  1.9955  202.291   20.425    196.239   28.742    208.465   29.031    37.899  2.8523  39.084  2.7915  -1.184982      3.991003 
1 1 1 -21 -15 5  o 31.043  2.1075  132.194   17.294    138.852   24.618    125.706   24.300    31.836  2.9195  30.249  3.0403  1.586245       4.215100 
1 1 1 -21 -15 6  o 52.260  1.9932  371.712   27.796    366.758   39.212    376.716   39.409    51.906  2.8311  52.615  2.8065  -0.7091904     3.986422 
1 1 1 -21 -15 7  o 81.171  2.2227  896.818   48.325    895.834   68.405    897.799   68.278    81.124  3.1481  81.217  3.1387  -0.9288788E-01 4.445415 
1 1 1 -21 -15 8  o 31.499  2.0906  135.955   17.419    130.528   24.643    141.374   24.624    30.850  3.0210  32.148  2.8905  -1.298019      4.181135 
1 1 1 -21 -15 9  o 11.842  2.8008  17.550    10.608    24.010    15.596    11.988    14.470    13.187  4.0370  10.496  3.8834  2.691042       5.601589 
1 1 1 -21 -15 10 o 47.954  1.9864  312.754   25.389    299.728   35.573    326.279   36.247    46.924  2.8438  48.984  2.7741  -2.060108      3.972733 
1 1 1 -21 -15 11 o 93.498  2.3804  1192.04   59.592    1157.06   84.243    1227.08   84.310    92.100  3.4150  94.895  3.3170  -2.794899      4.760713 
1 1 1 -21 -15 12 o 42.748  2.0082  248.955   22.860    252.133   32.220    245.734   32.439    43.031  2.8109  42.465  2.8688  0.5664101      4.016357 
1 1 1 -21 -15 13 o 11.239  2.8445  14.796    10.982    10.450    16.071    18.603    15.041    10.528  4.0484  11.950  3.9970  -1.422297      5.689024 
1 1 1 -21 -15 14 o 28.288  2.3074  111.359   16.893    92.069    23.985    130.347   23.797    25.722  3.5783  30.854  2.9141  -5.131178      4.614766 
1 1 1 -21 -15 15 o 51.870  2.0063  366.142   27.764    374.017   39.453    358.414   39.080    52.429  2.8198  51.311  2.8548  1.118542       4.012618 
1 1 1 -21 -15 16 o 25.972  2.2872  93.258    15.563    90.672    21.854    95.920    22.168    25.595  3.2619  26.349  3.2071  -0.7546864     4.574415 
1 1 1 -21 -15 17 o 74.750  2.1682  760.929   43.389    735.839   61.511    785.776   61.214    73.500  3.1245  76.000  3.0071  -2.500084      4.336463 
1 1 1 -21 -15 18 o 35.989  2.0960  177.787   19.967    166.256   28.573    188.793   27.914    34.802  3.0976  37.175  2.8245  -2.373508      4.192004 
1 1 1 -21 -15 19 o 58.710  2.0475  469.605   32.135    461.946   45.708    477.090   45.187    58.186  2.9424  59.234  2.8481  -1.047581      4.095010 
1 1 1 -21 -15 20 o 40.279  2.0229  221.637   21.670    231.811   31.166    212.117   30.150    41.183  2.8428  39.376  2.8787  1.806702       4.045797 
1 1 1 -21 -15 21 f 28.327  2.9883  116.240   19.841    106.675   35.946    120.430   23.794    27.100  5.1401  29.554  3.0496  -2.453650      5.976693 
1 1 1 -21 -15 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -15 23 o 21.122  3.9070  63.662    21.290    63.662    21.290    0.0000    0.0000    21.122  3.9070  ?       ?       ?              ?        
1 1 1 -21 -15 24 o 53.063  2.1360  388.282   30.092    350.574   42.851    424.967   42.267    50.428  3.1890  55.698  2.8426  -5.270332      4.271978 
1 1 1 -21 -15 25 o 33.057  2.2715  151.491   19.800    166.804   28.570    137.339   27.466    34.713  3.1055  31.400  3.3158  3.313171       4.543000 
1 1 1 -21 -15 26 o 45.334  2.1252  283.657   25.656    282.744   36.540    284.544   36.030    45.249  3.0324  45.418  2.9782  -0.1687737     4.250352 
1 1 1 -21 -15 27 o 31.033  2.3958  135.148   19.553    126.320   27.566    144.087   27.738    29.955  3.5018  32.111  3.2707  -2.155634      4.791665 
1 1 1 -21 -15 28 o 25.932  2.6891  96.655    17.885    79.490    25.086    114.399   25.506    23.382  4.1579  28.482  3.4112  -5.099262      5.378134 
1 1 1 -21 -15 29 o 31.206  2.4550  137.854   20.136    129.687   28.452    146.051   28.503    30.215  3.5856  32.196  3.3544  -1.981131      4.910028 
1 1 1 -21 -15 30 o 55.655  2.2540  433.399   33.443    419.309   47.394    447.372   47.197    54.705  3.2491  56.605  3.1251  -1.899162      4.508060 
1 1 1 -21 -15 31 o 12.043  3.1303  10.393    15.184    -11.3719  20.756    35.449    22.270    8.6684  3.9691  15.417  4.8415  -6.749133      6.260520 
1 1 1 -21 -15 32 o 43.232  2.3798  266.055   27.113    232.229   38.565    299.113   38.125    40.311  3.6099  46.152  3.1021  -5.840626      4.759695 
1 1 1 -21 -15 33 o 14.542  3.4510  30.379    16.609    42.059    22.704    16.930    24.363    16.557  4.8244  12.526  4.9359  4.031211       6.902077 
1 1 1 -21 -15 34 o 17.836  3.6502  49.782    18.494    44.533    25.845    55.292    26.476    16.909  5.2002  18.762  5.1239  -1.852798      7.300442 
1 1 1 -21 -15 35 o 23.823  4.9082  88.055    30.276    88.055    30.276    0.0000    0.0000    23.823  4.9082  ?       ?       ?              ?        
1 1 1 -21 -15 36 o 14.893  3.7489  32.929    18.741    31.284    25.145    34.984    28.109    14.543  5.1547  15.243  5.4449  -0.6998777     7.497859 
1 1 1 -21 -15 37 o 25.297  3.5090  102.650   22.839    121.879   31.903    82.436    32.710    28.266  4.3535  22.328  5.5044  5.937908       7.017972 
1 1 1 -21 -15 38 o 14.371  3.5065  22.412    20.477    61.473    28.589    -18.7342  29.342    19.108  5.3654  9.6352  4.5161  9.472506       7.013076 
1 1 1 -21 -14 1  o 36.534  1.9708  182.318   19.120    191.743   27.077    172.945   27.002    37.499  2.7141  35.569  2.8584  1.930771       3.941677 
1 1 1 -21 -14 2  o 46.563  1.9518  295.147   24.224    285.607   34.200    304.751   34.315    45.794  2.8017  47.332  2.7181  -1.537994      3.903519 
1 1 1 -21 -14 3  o 10.336  2.6430  12.263    9.4390    9.9632    13.813    14.277    12.929    9.9660  3.7719  10.706  3.7033  -0.7399712     5.285959 
1 1 1 -21 -14 4  o 19.263  2.4692  52.091    12.267    53.298    17.636    50.959    17.073    19.480  3.5090  19.046  3.4749  0.4347515      4.938415 
1 1 1 -21 -14 5  o 60.764  2.0004  500.659   32.537    479.140   45.938    522.321   46.091    59.439  2.8854  62.090  2.7714  -2.650681      4.000831 
1 1 1 -21 -14 6  o 89.011  2.3150  1078.04   55.189    1066.93   78.267    1089.02   77.833    88.544  3.3001  89.479  3.2475  -0.9345627     4.630050 
1 1 1 -21 -14 7  o 71.304  2.1129  689.938   40.331    717.625   57.121    662.415   56.952    72.748  2.9314  69.860  3.0436  2.888023       4.225755 
1 1 1 -21 -14 8  o 30.428  2.0216  126.535   16.279    124.879   23.161    128.152   22.885    30.221  2.8967  30.634  2.8208  -0.4129791     4.043230 
1 1 1 -21 -14 9  o 50.130  1.9491  341.112   26.068    335.984   36.599    346.393   37.138    49.746  2.7575  50.513  2.7553  -0.7675247     3.898134 
1 1 1 -21 -14 10 o 48.372  1.9698  317.963   25.398    328.298   35.789    307.479   36.048    49.180  2.7276  47.563  2.8426  1.617283       3.939564 
1 1 1 -21 -14 11 o 51.708  1.9767  363.357   27.247    379.955   38.397    346.522   38.670    52.922  2.7180  50.495  2.8710  2.426456       3.953478 
1 1 1 -21 -14 12 o 28.228  2.0805  109.123   15.497    107.790   21.688    110.514   22.152    28.053  2.9296  28.403  2.9551  -0.3502331     4.161089 
1 1 1 -21 -14 13 o 43.425  1.9952  256.699   23.043    240.235   32.564    273.210   32.610    42.002  2.9125  44.848  2.7276  -2.846268      3.990329 
1 1 1 -21 -14 14 o 73.751  2.1285  738.048   42.042    752.669   59.549    723.518   59.364    74.488  2.9847  73.015  3.0355  1.472679       4.257055 
1 1 1 -21 -14 15 f 26.245  2.2114  94.798    15.232    98.432    21.767    91.311    21.322    26.751  3.0951  25.738  3.1593  1.012938       4.422734 
1 1 1 -21 -14 16 o 101.756 2.4937  1412.93   67.960    1396.26   96.293    1429.47   95.929    101.143 3.5544  102.369 3.4986  -1.225777      4.987391 
1 1 1 -21 -14 17 o 31.258  2.1292  134.079   17.569    129.727   25.375    138.086   24.349    30.739  3.1254  31.778  2.8924  -1.039030      4.258421 
1 1 1 -21 -14 18 o 45.537  1.9923  283.215   24.094    262.671   34.574    302.613   33.596    43.882  2.9588  47.191  2.6688  -3.309216      3.984588 
1 1 1 -21 -14 19 o 61.164  2.0416  508.209   33.437    499.374   47.601    516.814   46.979    60.626  2.9314  61.702  2.8426  -1.075851      4.083261 
1 1 1 -21 -14 20 o 23.140  2.4222  74.607    14.550    78.266    20.896    71.162    20.273    23.712  3.3863  22.569  3.4644  1.142391       4.844440 
1 1 1 -21 -14 21 f 33.600  2.1030  154.762   18.725    159.505   26.759    150.211   26.213    34.112  2.9580  33.088  2.9900  1.024376       4.205915 
1 1 1 -21 -14 22 o 61.341  2.0787  513.688   34.048    486.839   48.338    540.124   47.965    59.678  3.0340  63.004  2.8423  -3.326370      4.157376 
1 1 1 -21 -14 23 f 44.538  2.7591  281.806   29.284    261.856   53.529    290.326   34.982    42.993  4.7265  46.083  2.8481  -3.089970      5.518260 
1 1 1 -21 -14 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -14 25 f 34.412  2.2043  163.420   20.013    182.801   28.839    145.417   27.795    36.437  2.9811  32.386  3.2479  4.050579       4.408628 
1 1 1 -21 -14 26 o 18.608  3.0363  50.778    15.074    35.722    21.266    65.982    21.370    15.731  4.6920  21.486  3.8551  -5.755286      6.072622 
1 1 1 -21 -14 27 o 43.801  2.1294  264.912   24.790    283.024   35.248    247.184   34.872    45.329  2.9186  42.274  3.1014  3.055210       4.258774 
1 1 1 -21 -14 28 o 38.030  2.2803  201.814   22.913    183.059   32.472    220.412   32.335    36.179  3.3904  39.880  3.0502  -3.701088      4.560593 
1 1 1 -21 -14 29 o 36.941  2.3673  193.181   22.708    154.156   32.174    231.922   32.056    32.974  3.7071  40.907  2.9453  -7.933109      4.734683 
1 1 1 -21 -14 30 o 32.239  2.4535  147.108   20.825    143.732   29.948    150.270   28.977    31.825  3.5751  32.652  3.3612  -0.8271637     4.907076 
1 1 1 -21 -14 31 o 19.917  3.1665  59.784    16.665    44.189    23.405    75.821    23.735    17.074  4.8760  22.760  4.0414  -5.685917      6.333079 
1 1 1 -21 -14 32 o 20.256  3.3043  62.685    17.999    41.316    25.171    85.044    25.747    16.487  5.1422  24.026  4.1510  -7.538790      6.608597 
1 1 1 -21 -14 33 o 11.110  3.2516  8.3153    15.845    11.362    21.776    4.8878    23.098    11.402  4.6079  10.818  4.5891  0.5845671      6.503284 
1 1 1 -21 -14 34 o 17.449  3.6711  46.878    19.440    65.722    27.434    27.872    27.551    20.531  5.0287  14.367  5.3499  6.164380       7.342294 
1 1 1 -21 -14 35 o 19.135  5.3883  58.385    28.791    0.0000    0.0000    58.385    28.791    ?       ?       19.135  5.3883  ?              ?        
1 1 1 -21 -14 36 o 43.028  2.7294  271.185   30.895    301.366   43.480    240.405   43.909    45.714  3.5796  40.342  4.1214  5.371948       5.458853 
1 1 1 -21 -14 37 o 29.955  3.3833  140.847   25.663    169.004   35.781    111.017   36.829    33.701  4.0447  26.210  5.4247  7.490314       6.766641 
1 1 1 -21 -14 38 o 43.244  2.8263  279.882   32.273    300.577   45.670    259.240   45.611    45.041  3.8217  41.446  4.1650  3.594368       5.652671 
1 1 1 -21 -14 39 o 14.395  3.2450  31.575    13.002    35.739    25.380    30.094    15.139    14.862  5.1859  13.928  3.9021  0.9343977      6.489971 
1 1 1 -21 -13 1  o 80.538  2.2026  881.913   47.505    869.188   67.506    894.396   66.863    79.948  3.1524  81.128  3.0770  -1.180153      4.405175 
1 1 1 -21 -13 2  o 40.396  1.9282  222.971   20.567    254.953   29.125    191.159   29.048    43.356  2.5188  37.435  2.9201  5.921619       3.856330 
1 1 1 -21 -13 3  f 19.929  2.4011  55.715    12.308    49.221    17.464    62.125    17.350    18.693  3.6186  21.166  3.1569  -2.472250      4.802133 
1 1 1 -21 -13 4  o 27.576  2.1436  104.335   15.571    102.854   22.002    105.821   22.038    27.373  3.0529  27.779  3.0101  -0.4056454     4.287279 
1 1 1 -21 -13 5  f 118.174 2.6831  1906.71   84.924    1910.61   120.602   1902.87   119.605   118.287 3.8065  118.061 3.7823  0.2255554      5.366132 
1 1 1 -21 -13 6  o 52.045  1.9508  367.278   27.090    355.987   37.936    379.028   38.698    51.223  2.7753  52.867  2.7422  -1.644356      3.901577 
1 1 1 -21 -13 7  f 49.428  1.9472  331.481   25.611    301.845   35.853    362.358   36.596    47.141  2.8529  51.714  2.6509  -4.572262      3.894428 
1 1 1 -21 -13 8  o 77.754  2.1341  819.226   44.439    804.113   62.792    834.391   62.902    77.028  3.0435  78.481  2.9923  -1.452217      4.268106 
1 1 1 -21 -13 9  f 103.190 2.4726  1448.35   68.338    1467.36   96.810    1429.48   96.479    103.872 3.4796  102.507 3.5139  1.364967       4.945216 
1 1 1 -21 -13 10 o 37.889  1.9629  195.111   19.779    192.177   27.721    198.153   28.230    37.598  2.7722  38.179  2.7796  -0.5816536     3.925750 
1 1 1 -21 -13 11 o 28.445  2.0410  110.670   15.310    103.936   21.600    117.469   21.704    27.548  2.9745  29.341  2.7955  -1.793049      4.081995 
1 1 1 -21 -13 12 o 44.126  1.9599  265.434   22.878    301.481   32.408    229.621   32.302    47.177  2.5744  41.075  2.9559  6.102512       3.919787 
1 1 1 -21 -13 13 o 27.077  2.0734  100.487   14.778    95.688    20.966    105.225   20.833    26.409  3.0182  27.745  2.8436  -1.335804      4.146780 
1 1 1 -21 -13 14 o 74.260  2.1234  747.317   42.236    747.404   59.840    747.230   59.622    74.263  3.0083  74.258  2.9976  0.5531311E-02  4.246866 
1 1 1 -21 -13 15 o 56.890  1.9633  438.010   29.912    431.922   42.490    443.991   42.117    56.492  2.8081  57.289  2.7447  -0.7972145     3.926697 
1 1 1 -21 -13 16 o 8.7765  2.4666  1.3329    9.3863    13.878    14.002    -8.9054   12.649    10.814  3.8450  6.7394  3.0905  4.074075       4.933119 
1 1 1 -21 -13 17 f 35.734  1.9513  173.876   18.525    172.987   26.536    174.721   25.872    35.636  2.8027  35.833  2.7158  -0.1976547     3.902670 
1 1 1 -21 -13 18 o 38.244  1.9433  198.952   19.770    203.204   28.320    194.910   27.610    38.644  2.7541  37.845  2.7424  0.7984200      3.886594 
1 1 1 -21 -13 19 o 21.856  2.4131  66.662    13.642    64.727    19.687    68.448    18.920    21.513  3.5396  22.199  3.2809  -0.6854897     4.826299 
1 1 1 -21 -13 20 o 28.923  2.1581  115.140   16.420    110.498   23.749    119.390   22.728    28.326  3.1855  29.521  2.9123  -1.194895      4.316132 
1 1 1 -21 -13 21 o 44.651  2.0076  271.510   23.860    289.044   34.188    254.858   33.315    46.076  2.7832  43.226  2.8942  2.849983       4.015292 
1 1 1 -21 -13 22 o 68.283  2.1275  635.206   38.863    602.145   55.162    667.786   54.760    66.485  3.0977  70.082  2.9172  -3.597092      4.255067 
1 1 1 -21 -13 23 o 22.913  2.5380  73.791    15.012    66.726    21.224    80.864    21.236    21.736  3.7830  24.090  3.3845  -2.354568      5.076056 
1 1 1 -21 -13 24 o 63.000  2.1281  542.839   35.781    508.998   50.783    576.204   50.423    60.965  3.1203  65.034  2.8947  -4.068478      4.256273 
1 1 1 -21 -13 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -13 26 f 31.770  3.0910  131.847   22.806    119.054   26.286    170.790   45.861    29.221  3.4233  34.320  5.1477  -5.099012      6.182092 
1 1 1 -21 -13 27 o 19.254  3.0704  53.986    15.455    54.846    22.075    53.159    21.644    19.404  4.3544  19.104  4.3298  0.2990818      6.140727 
1 1 1 -21 -13 28 o 16.958  3.2462  42.318    15.198    36.531    21.694    47.894    21.298    15.854  4.7414  18.061  4.4351  -2.206118      6.492339 
1 1 1 -21 -13 29 o 24.751  2.9009  90.225    17.905    125.627   25.709    56.880    24.952    29.965  3.2556  19.536  4.8023  10.42891       5.801759 
1 1 1 -21 -13 30 o 31.474  2.4974  140.078   20.674    136.420   29.494    143.612   28.988    31.027  3.6169  31.922  3.4449  -0.8953762     4.994884 
1 1 1 -21 -13 31 o 11.673  2.8470  6.9824    14.211    37.537    19.538    -27.3467  20.709    15.885  4.4267  7.4618  3.5812  8.423105       5.693931 
1 1 1 -21 -13 32 o 14.298  3.5124  27.366    16.743    17.897    22.688    38.688    24.809    12.530  4.8120  16.066  5.1178  -3.536420      7.024709 
1 1 1 -21 -13 33 o 15.354  3.5643  34.564    17.625    46.454    24.247    21.241    25.665    17.384  4.9623  13.325  5.1178  4.058976       7.128591 
1 1 1 -21 -13 34 o 16.630  3.6769  42.584    18.178    40.904    25.205    44.406    26.240    16.330  5.1538  16.929  5.2455  -0.5996857     7.353705 
1 1 1 -21 -13 35 o 21.757  3.5826  74.032    20.662    59.063    28.819    89.867    29.641    19.269  5.3786  24.246  4.7340  -4.977097      7.165188 
1 1 1 -21 -13 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -13 37 o 35.278  2.4264  168.588   21.608    217.936   38.088    145.167   26.240    38.655  3.7248  31.901  3.1105  6.754061       4.852765 
1 1 1 -21 -13 38 f 13.419  2.9538  12.995    12.011    57.506    24.459    -1.1504   13.789    18.990  4.8049  7.8479  3.4371  11.14194       5.907667 
1 1 1 -21 -13 39 o 11.280  2.9372  16.940    12.781    -11.3595  26.001    25.955    14.676    9.5304  4.3927  13.030  3.9004  -3.499367      5.874432 
1 1 1 -21 -12 1  o 39.818  1.8897  215.454   20.006    230.160   28.446    201.063   28.141    41.186  2.5919  38.451  2.7506  2.734722       3.779346 
1 1 1 -21 -12 2  o 27.589  2.0850  105.523   14.809    129.079   20.968    82.081    20.917    30.807  2.5644  24.371  3.2882  6.435659       4.169981 
1 1 1 -21 -12 3  o 15.029  2.6198  31.730    10.547    38.544    15.379    25.677    14.493    16.520  3.5790  13.538  3.8269  2.982374       5.239660 
1 1 1 -21 -12 4  o 86.947  2.2529  1025.40   52.457    1051.12   74.386    999.952   73.985    88.043  3.1544  85.852  3.2174  2.191170       4.505750 
1 1 1 -21 -12 5  o 45.171  1.8896  276.536   22.755    269.188   31.929    284.120   32.437    44.556  2.6880  45.786  2.6564  -1.229797      3.779116 
1 1 1 -21 -12 6  o 39.442  1.9043  210.936   19.989    204.373   27.795    217.965   28.767    38.804  2.6909  40.079  2.6954  -1.274452      3.808655 
1 1 1 -21 -12 7  o 57.065  1.9502  440.954   29.729    459.105   41.844    422.455   42.245    58.301  2.6796  55.828  2.8344  2.473209       3.900465 
1 1 1 -21 -12 8  o 62.526  1.9803  528.576   33.152    545.310   46.842    511.782   46.926    63.528  2.7528  61.525  2.8476  2.003010       3.960638 
1 1 1 -21 -12 9  o 47.536  1.9111  306.599   24.104    268.699   33.750    346.063   34.438    44.493  2.8469  50.578  2.5503  -6.084827      3.822116 
1 1 1 -21 -12 10 o 55.079  1.9394  409.865   28.612    409.244   40.457    410.486   40.470    55.037  2.7444  55.121  2.7411  -0.8400345E-01 3.878842 
1 1 1 -21 -12 11 o 80.777  2.1823  883.779   47.192    917.948   66.882    849.897   66.599    82.347  3.0323  79.206  3.1392  3.141487       4.364555 
1 1 1 -21 -12 12 o 27.889  2.0493  106.689   14.980    93.779    21.181    119.609   21.190    26.140  3.0846  29.638  2.6988  -3.497852      4.098557 
1 1 1 -21 -12 13 o 43.645  1.9191  258.630   22.294    246.302   31.736    270.639   31.324    42.597  2.7971  44.694  2.6281  -2.097157      3.838110 
1 1 1 -21 -12 14 o 63.289  2.0052  541.638   33.990    550.662   48.284    532.773   47.856    63.814  2.8249  62.764  2.8467  1.049782       4.010419 
1 1 1 -21 -12 15 o 94.763  2.3646  1219.25   60.016    1235.49   85.213    1203.26   84.543    95.393  3.3351  94.133  3.3531  1.259445       4.729246 
1 1 1 -21 -12 16 o 21.328  2.4386  64.785    13.161    50.277    19.153    77.762    18.115    18.857  3.9199  23.799  2.9018  -4.941721      4.877143 
1 1 1 -21 -12 17 o 58.853  1.9603  468.691   30.888    460.185   44.039    476.928   43.335    58.317  2.8194  59.388  2.7243  -1.071693      3.920513 
1 1 1 -21 -12 18 f 12.733  2.8235  22.042    10.801    18.258    15.842    25.329    14.766    12.004  4.1015  13.463  3.8816  -1.458899      5.647033 
1 1 1 -21 -12 19 o 78.983  2.1860  846.881   46.236    829.950   65.595    863.598   65.182    78.185  3.1323  79.782  3.0502  -1.597237      4.372087 
1 1 1 -21 -12 20 o 13.320  2.5450  21.960    11.577    -4.4014   16.752    46.064    16.018    8.5353  3.7618  18.105  3.4287  -9.569505      5.089907 
1 1 1 -21 -12 21 o 65.482  2.0825  582.157   36.514    572.013   51.999    592.026   51.286    64.906  2.9910  66.059  2.8985  -1.153191      4.165057 
1 1 1 -21 -12 22 o 29.697  2.1726  120.945   17.010    129.175   24.597    113.400   23.550    30.683  3.0326  28.711  3.1121  1.972105       4.345281 
1 1 1 -21 -12 23 o 36.072  2.0814  178.762   19.814    158.709   28.156    198.436   27.889    33.998  3.1269  38.146  2.7480  -4.147907      4.162798 
1 1 1 -21 -12 24 o 45.481  2.0408  282.397   24.729    288.975   35.226    276.005   34.723    46.009  2.8728  44.953  2.8993  1.056293       4.081583 
1 1 1 -21 -12 25 o 23.780  2.6380  80.598    15.895    101.148   22.592    60.452    22.369    27.029  3.1815  20.532  4.2088  6.497133       5.276024 
1 1 1 -21 -12 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -12 27 o 33.769  3.2315  151.230   25.278    138.617   29.160    189.370   50.705    31.522  3.5134  36.015  5.4246  -4.493141      6.462992 
1 1 1 -21 -12 28 o 34.925  2.2949  169.045   21.204    177.799   30.645    161.006   29.369    35.803  3.2304  34.046  3.2604  1.756779       4.589745 
1 1 1 -21 -12 29 o 32.651  2.4764  149.347   21.307    155.718   30.619    143.366   29.669    33.342  3.4799  31.961  3.5243  1.380817       4.952805 
1 1 1 -21 -12 30 o 16.018  2.9419  33.878    15.714    69.760    22.282    -1.6257   22.164    21.985  3.9280  10.050  4.3807  11.93525       5.883876 
1 1 1 -21 -12 31 o 20.179  3.3156  60.907    17.601    55.293    24.563    66.833    25.233    19.170  4.7958  21.189  4.5796  -2.019014      6.631127 
1 1 1 -21 -12 32 o 11.430  3.2113  11.824    14.624    8.9232    19.537    15.520    22.056    10.741  4.3562  12.119  4.7196  -1.378374      6.422674 
1 1 1 -21 -12 33 o 13.231  2.7861  14.015    15.511    53.289    20.662    -36.6928  23.478    18.903  4.1909  7.5587  3.6725  11.34435       5.572278 
1 1 1 -21 -12 34 o 17.242  3.6265  45.074    18.425    31.984    25.296    59.867    26.891    14.872  5.1780  19.612  5.0789  -4.740042      7.253019 
1 1 1 -21 -12 35 o 13.845  3.6389  19.551    18.749    2.9024    24.191    44.593    29.669    10.761  4.6337  16.929  5.6120  -6.167629      7.277731 
1 1 1 -21 -12 36 o 35.739  2.7955  179.069   26.548    0.0000    0.0000    179.069   26.548    ?       ?       35.739  2.7955  ?              ?        
1 1 1 -21 -12 37 o 33.523  2.5787  161.405   21.482    169.148   37.175    157.523   26.321    33.696  4.2109  33.351  2.9778  0.3450165      5.157436 
1 1 1 -21 -12 38 o 16.739  3.1095  49.161    15.695    14.215    28.069    65.056    18.931    12.443  5.1529  21.035  3.4818  -8.591269      6.218933 
1 1 1 -21 -12 39 o 15.936  3.3809  33.355    14.951    64.675    27.917    20.760    17.703    19.775  5.2010  12.097  4.3211  7.678755       6.761848 
1 1 1 -21 -12 40 o 12.767  3.3961  19.515    14.577    37.266    27.476    12.562    17.196    15.039  5.3821  10.495  4.1433  4.544333       6.792184 
1 1 1 -21 -11 1  o 21.134  2.1737  62.272    11.803    52.650    16.844    71.555    16.545    19.424  3.3591  22.845  2.7598  -3.420471      4.347417 
1 1 1 -21 -11 2  o 77.756  2.1295  818.677   44.347    805.198   62.713    832.159   62.718    77.109  3.0364  78.403  2.9865  -1.294487      4.259031 
1 1 1 -21 -11 3  o 41.628  1.8713  234.942   20.753    238.400   29.246    231.436   29.453    41.944  2.6163  41.313  2.6761  0.6307259      3.742514 
1 1 1 -21 -11 4  o 38.983  2.6231  206.023   27.230    206.023   27.230    0.0000    0.0000    38.983  2.6231  ?       ?       ?              ?        
1 1 1 -21 -11 5  o 74.939  3.9111  766.820   78.232    766.820   78.232    0.0000    0.0000    74.939  3.9111  ?       ?       ?              ?        
1 1 1 -21 -11 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -11 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -11 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -11 9  o 14.610  4.5170  29.179    19.470    29.179    19.470    0.0000    0.0000    14.610  4.5170  ?       ?       ?              ?        
1 1 1 -21 -11 10 o 38.969  2.5467  205.483   23.579    202.522   27.751    213.171   44.715    38.647  2.6978  39.290  4.3203  -0.6426010     5.093430 
1 1 1 -21 -11 11 o 46.148  1.8940  288.353   23.307    284.462   33.053    292.202   32.870    45.832  2.7044  46.463  2.6522  -0.6312523     3.787906 
1 1 1 -21 -11 12 o 35.173  1.9017  167.853   17.769    175.909   25.381    160.110   24.884    36.012  2.6499  34.334  2.7284  1.677715       3.803435 
1 1 1 -21 -11 13 o 50.333  1.9063  343.134   25.588    331.305   36.345    354.759   36.031    49.458  2.7545  51.208  2.6359  -1.749596      3.812505 
1 1 1 -21 -11 14 o 65.409  2.0081  578.173   35.177    574.532   49.992    581.744   49.508    65.200  2.8626  65.617  2.8169  -0.4173355     4.016114 
1 1 1 -21 -11 15 o 117.929 2.6951  1893.72   85.123    1873.80   120.702   1913.43   120.065   117.296 3.8418  118.562 3.7808  -1.265213      5.390181 
1 1 1 -21 -11 16 o 87.105  2.2428  1028.20   52.326    1030.82   74.346    1025.63   73.659    87.212  3.1827  86.999  3.1610  0.2128525      4.485681 
1 1 1 -21 -11 17 o 36.386  1.9198  179.848   18.566    180.639   26.712    179.109   25.824    36.456  2.7559  36.316  2.6736  0.1401291      3.839669 
1 1 1 -21 -11 18 o 60.169  1.9885  489.839   32.037    481.013   45.587    498.451   45.033    59.624  2.8545  60.714  2.7692  -1.089382      3.977009 
1 1 1 -21 -11 19 o 48.166  1.9310  315.017   24.785    304.777   35.442    324.817   34.673    47.380  2.8053  48.952  2.6543  -1.572140      3.861994 
1 1 1 -21 -11 20 o 26.036  2.1687  93.061    14.825    96.894    21.393    89.520    20.561    26.558  3.0636  25.513  3.0705  1.045057       4.337423 
1 1 1 -21 -11 21 o 46.878  1.9904  300.259   24.722    267.552   35.363    331.523   34.574    44.313  2.9970  49.442  2.6201  -5.129429      3.980798 
1 1 1 -21 -11 22 o 49.988  2.0026  339.917   26.693    333.142   38.010    346.511   37.495    49.482  2.8804  50.494  2.7830  -1.012352      4.005234 
1 1 1 -21 -11 23 o 26.724  2.2554  98.802    15.769    92.205    22.591    105.072   22.023    25.801  3.3478  27.648  3.0231  -1.846743      4.510787 
1 1 1 -21 -11 24 o 33.395  2.1877  153.791   19.233    138.991   27.551    167.862   26.863    31.756  3.2866  35.035  2.8884  -3.278219      4.375422 
1 1 1 -21 -11 25 f 44.101  2.1091  265.997   24.764    266.734   35.317    265.284   34.733    44.154  3.0041  44.047  2.9612  0.1074753      4.218217 
1 1 1 -21 -11 26 f 29.532  2.3393  120.836   18.180    124.148   25.774    117.556   25.647    29.952  3.2656  29.112  3.3502  0.8395596      4.678504 
1 1 1 -21 -11 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -11 28 o 16.409  3.2798  39.265    15.280    46.854    21.086    30.873    22.174    17.928  4.4193  14.891  4.8476  3.036911       6.559624 
1 1 1 -21 -11 29 o 29.759  2.6119  124.745   20.356    125.137   29.362    124.382   28.247    29.776  3.7657  29.741  3.6205  0.3512573E-01  5.223863 
1 1 1 -21 -11 30 o 31.894  2.5739  143.894   21.466    129.301   30.500    158.218   30.218    30.170  3.8630  33.619  3.4026  -3.448713      5.147864 
1 1 1 -21 -11 31 o 27.854  2.8182  111.427   20.426    110.986   28.738    111.876   29.037    27.804  3.9717  27.905  3.9993  -0.1002808     5.636349 
1 1 1 -21 -11 32 o 10.365  3.1081  2.6898    15.085    -2.8111   20.913    8.6563    21.780    9.5882  4.2153  11.142  4.5685  -1.553453      6.216103 
1 1 1 -21 -11 33 o 20.813  3.5221  66.402    19.370    65.192    27.840    67.538    26.967    20.581  5.0809  21.046  4.8789  -0.4653244     7.044116 
1 1 1 -21 -11 34 o 22.910  3.0316  90.271    16.242    48.459    28.351    110.698   19.816    17.641  5.4501  28.179  2.6568  -10.53729      6.063184 
1 1 1 -21 -11 35 o 27.147  2.6668  108.282   17.693    103.248   30.101    110.939   21.871    26.250  4.4394  28.044  2.9561  -1.794189      5.333554 
1 1 1 -21 -11 36 o 10.527  2.9554  9.2048    11.303    16.949    21.645    6.3010    13.254    12.120  4.6877  8.9346  3.6004  3.185145       5.910835 
1 1 1 -21 -11 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -11 38 o 10.777  3.0852  11.036    13.569    -5.1290   26.766    16.627    15.742    10.331  4.6408  11.222  4.0664  -0.8913717     6.170333 
1 1 1 -21 -11 39 o 46.985  2.3841  311.304   28.849    355.601   48.287    286.716   35.976    49.166  3.6937  44.803  3.0154  4.363274       4.768215 
1 1 1 -21 -11 40 o 22.735  3.2625  80.309    18.015    89.765    32.357    76.061    21.687    23.067  5.3421  22.403  3.7465  0.6645603      6.524901 
1 1 1 -21 -10 1  o 66.337  3.8726  601.265   68.511    0.0000    0.0000    601.265   68.511    ?       ?       66.337  3.8726  ?              ?        
1 1 1 -21 -10 2  o 57.902  1.8968  452.754   29.383    426.221   41.448    479.559   41.660    56.184  2.7542  59.621  2.6088  -3.436836      3.793599 
1 1 1 -21 -10 3  o 27.035  1.9354  100.006   13.753    108.846   19.271    90.830    19.633    28.297  2.5706  25.773  2.8940  2.524466       3.870783 
1 1 1 -21 -10 4  o 30.175  1.9098  123.838   15.265    125.816   21.404    121.790   21.777    30.430  2.6526  29.920  2.7481  0.5103149      3.819507 
1 1 1 -21 -10 5  o 86.611  2.2023  1014.17   51.089    1008.84   72.362    1019.47   72.139    86.381  3.1276  86.842  3.1014  -0.4611740     4.404546 
1 1 1 -21 -10 6  o 17.960  2.3144  44.993    10.717    42.370    15.144    47.625    15.170    17.405  3.3702  18.516  3.1730  -1.111046      4.628844 
1 1 1 -21 -10 7  o 60.131  1.9381  487.824   31.185    461.644   43.956    514.357   44.251    58.496  2.8054  61.766  2.6748  -3.269993      3.876206 
1 1 1 -21 -10 8  o 12.963  2.4580  23.427    8.7525    27.089    12.601    20.013    12.166    13.875  3.4139  12.052  3.5374  1.823710       4.916093 
1 1 1 -21 -10 9  o 21.220  2.1293  62.041    11.714    68.832    16.733    55.516    16.403    22.410  2.8524  20.030  3.1623  2.379814       4.258651 
1 1 1 -21 -10 10 o 46.612  1.8696  293.894   23.237    285.573   32.961    302.115   32.763    45.946  2.6901  47.278  2.5972  -1.331970      3.739286 
1 1 1 -21 -10 11 o 33.287  2.3062  143.270   19.064    174.612   34.603    129.611   22.843    35.701  3.6709  30.873  2.7927  4.828699       4.612435 
1 1 1 -21 -10 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -10 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -10 14 o 79.246  4.3123  859.265   91.188    859.265   91.188    0.0000    0.0000    79.246  4.3123  ?       ?       ?              ?        
1 1 1 -21 -10 15 o 22.625  2.1183  70.428    12.501    69.051    18.063    71.695    17.319    22.389  3.0947  22.860  2.8933  -0.4708805     4.236578 
1 1 1 -21 -10 16 o 10.189  2.6317  11.454    9.3436    12.314    13.526    10.668    12.922    10.421  3.7704  9.9564  3.6725  0.4644556      5.263417 
1 1 1 -21 -10 17 o 38.901  1.8884  205.098   19.550    212.452   28.053    198.155   27.259    39.583  2.6615  38.218  2.6798  1.364384       3.776867 
1 1 1 -21 -10 18 o 53.110  1.9405  382.121   27.505    382.018   39.310    382.219   38.498    53.096  2.7737  53.123  2.7146  -0.2697754E-01 3.881093 
1 1 1 -21 -10 19 o 67.271  2.0474  612.309   36.888    616.240   52.542    608.488   51.800    67.481  2.9070  67.061  2.8839  0.4203186      4.094752 
1 1 1 -21 -10 20 o 64.640  2.0473  565.605   35.443    569.466   50.553    561.871   49.706    64.854  2.9102  64.427  2.8804  0.4267731      4.094652 
1 1 1 -21 -10 21 o 78.703  2.2085  840.499   46.554    851.660   66.144    829.544   65.533    79.223  3.1171  78.184  3.1294  1.039452       4.416936 
1 1 1 -21 -10 22 o 12.867  2.7816  21.276    11.309    8.4462    15.875    34.495    16.115    10.154  3.9898  15.580  3.8770  -5.426215      5.563287 
1 1 1 -21 -10 23 o 28.064  2.2474  108.783   16.522    100.873   23.748    116.203   23.001    27.017  3.3538  29.110  2.9926  -2.093441      4.494835 
1 1 1 -21 -10 24 o 66.095  2.1211  593.726   37.548    593.284   53.405    594.159   52.803    66.065  3.0180  66.125  2.9812  -0.6047821E-01 4.242180 
1 1 1 -21 -10 25 o 30.492  2.3014  128.116   18.485    136.071   26.522    120.601   25.776    31.438  3.1940  29.547  3.3141  1.890759       4.602723 
1 1 1 -21 -10 26 o 31.241  2.3572  135.214   19.365    126.237   27.591    143.929   27.187    30.163  3.4788  32.319  3.1818  -2.155785      4.714436 
1 1 1 -21 -10 27 o 33.657  2.4174  158.591   21.164    132.797   30.323    183.089   29.552    30.822  3.7503  36.492  3.0514  -5.669798      4.834892 
1 1 1 -21 -10 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -10 29 o 46.737  2.2843  301.875   28.415    303.717   40.632    300.111   39.753    46.866  3.2571  46.609  3.2037  0.2566032      4.568678 
1 1 1 -21 -10 30 o 44.419  2.3460  273.790   27.607    305.454   39.836    244.529   38.294    46.961  3.1858  41.877  3.4446  5.084312       4.691987 
1 1 1 -21 -10 31 o 33.764  2.5437  160.741   22.649    159.494   32.039    161.987   32.023    33.624  3.6142  33.904  3.5805  -0.2797623     5.087457 
1 1 1 -21 -10 32 o 36.842  2.1834  186.002   20.793    204.173   34.037    175.184   26.263    38.122  3.3680  35.562  2.7793  2.559227       4.366716 
1 1 1 -21 -10 33 o 36.004  2.3962  190.249   21.305    159.048   35.072    208.495   26.820    33.170  4.0304  38.839  2.5930  -5.669769      4.792486 
1 1 1 -21 -10 34 o 22.663  2.7910  73.112    15.619    82.882    26.900    68.143    19.183    23.552  4.4267  21.773  3.4005  1.778801       5.582001 
1 1 1 -21 -10 35 o 33.149  2.4726  158.919   20.136    152.098   34.751    162.366   24.706    32.192  4.1252  34.107  2.7272  -1.915314      4.945189 
1 1 1 -21 -10 36 o 18.225  3.1304  55.768    14.892    33.745    27.293    65.105    17.770    15.166  5.3708  21.285  3.2173  -6.118965      6.260724 
1 1 1 -21 -10 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -10 38 o 24.102  3.0470  85.928    18.211    96.444    30.948    80.358    22.524    24.879  4.8182  23.325  3.7310  1.554539       6.093913 
1 1 1 -21 -10 39 o 19.577  3.4620  59.217    16.873    67.586    31.467    55.839    19.989    20.032  5.6304  19.122  4.0299  0.9099083      6.923998 
1 1 1 -21 -10 40 o 17.600  3.4012  51.366    15.900    46.733    28.937    53.370    19.031    16.595  5.5440  18.605  3.9415  -2.009960      6.802309 
1 1 1 -21 -9  1  o 42.316  1.8331  242.277   20.676    241.003   29.051    243.585   29.433    42.204  2.5823  42.427  2.6026  -0.2229767     3.666281 
1 1 1 -21 -9  2  o 35.127  1.8295  167.117   17.089    162.752   23.926    171.664   24.417    34.655  2.5965  35.599  2.5782  -0.9442863     3.659078 
1 1 1 -21 -9  3  o 27.243  1.9050  101.007   13.713    101.035   19.108    100.977   19.690    27.254  2.6511  27.232  2.7365  0.2143669E-01  3.810066 
1 1 1 -21 -9  4  o 34.069  1.8493  157.193   16.741    154.029   23.314    160.561   24.054    33.715  2.6018  34.423  2.6288  -0.7074203     3.698610 
1 1 1 -21 -9  5  o 24.328  2.0469  81.700    12.864    95.982    18.119    67.184    18.267    26.574  2.5781  22.083  3.1800  4.490871       4.093749 
1 1 1 -21 -9  6  o 75.981  2.0967  778.818   42.669    769.478   60.375    788.138   60.311    75.522  2.9846  76.439  2.9457  -0.9174728     4.193478 
1 1 1 -21 -9  7  o 30.788  1.8831  128.629   15.374    130.864   21.715    126.383   21.769    31.062  2.6348  30.513  2.6911  0.5487423      3.766228 
1 1 1 -21 -9  8  o 79.169  2.1587  846.434   45.732    807.534   64.893    884.815   64.459    77.345  3.1324  80.993  2.9713  -3.648422      4.317450 
1 1 1 -21 -9  9  o 54.713  1.8909  403.156   27.705    414.162   39.450    392.445   38.917    55.452  2.6561  53.974  2.6919  1.477547       3.781707 
1 1 1 -21 -9  10 o 42.546  1.8616  244.861   21.097    238.582   30.088    250.935   29.591    41.999  2.6887  43.094  2.5754  -1.094856      3.723193 
1 1 1 -21 -9  11 o 122.932 2.7333  2049.47   89.978    2007.12   127.544   2091.44   126.956   121.648 3.9144  124.216 3.8158  -2.567863      5.466507 
1 1 1 -21 -9  12 o 68.210  2.0121  627.644   36.746    612.191   52.243    642.773   51.693    67.370  2.8952  69.049  2.7950  -1.678871      4.024195 
1 1 1 -21 -9  13 o 91.363  2.2976  1129.57   56.148    1067.41   79.712    1190.79   79.103    88.839  3.3499  93.888  3.1456  -5.048264      4.595245 
1 1 1 -21 -9  14 o 63.920  1.9525  551.214   33.413    541.612   47.708    560.457   46.810    63.366  2.8109  64.475  2.7105  -1.109188      3.904904 
1 1 1 -21 -9  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -9  16 o 27.006  4.1266  101.485   28.902    101.485   28.902    0.0000    0.0000    27.006  4.1266  ?       ?       ?              ?        
1 1 1 -21 -9  17 o 69.664  2.0478  655.779   38.205    647.670   54.294    663.731   53.769    69.231  2.9279  70.098  2.8638  -0.8666611     4.095633 
1 1 1 -21 -9  18 o 53.868  1.9437  393.391   27.905    364.282   39.772    421.616   39.162    51.839  2.8756  55.897  2.6157  -4.057514      3.887302 
1 1 1 -21 -9  19 o 35.287  1.9812  169.360   18.555    168.307   26.756    170.335   25.754    35.169  2.8653  35.406  2.7369  -0.2369576     3.962435 
1 1 1 -21 -9  20 o 55.692  1.9922  420.393   29.631    403.626   42.201    436.696   41.614    54.542  2.8991  56.842  2.7333  -2.300205      3.984437 
1 1 1 -21 -9  21 o 78.370  2.1982  832.945   46.138    822.391   65.403    843.400   65.097    77.868  3.1358  78.873  3.0814  -1.005440      4.396389 
1 1 1 -21 -9  22 f 33.519  2.0970  153.219   18.619    159.230   26.948    147.729   25.756    34.150  2.9758  32.889  2.9553  1.261272       4.193941 
1 1 1 -21 -9  23 o 38.847  2.0495  205.568   21.164    209.392   30.444    201.991   29.443    39.194  2.9209  38.501  2.8759  0.6923637      4.099075 
1 1 1 -21 -9  24 o 41.524  2.1454  237.226   23.473    206.045   33.666    266.727   32.746    38.770  3.2725  44.278  2.7751  -5.508350      4.290754 
1 1 1 -21 -9  25 o 20.510  2.9013  60.324    15.372    44.350    21.540    76.903    21.944    17.568  4.5436  23.452  3.6091  -5.884415      5.802558 
1 1 1 -21 -9  26 o 38.238  2.2330  200.696   22.609    218.686   32.325    183.467   31.634    39.959  3.0430  36.517  3.2688  3.442215       4.465985 
1 1 1 -21 -9  27 o 75.331  2.3049  776.524   46.443    829.430   66.149    725.092   65.221    77.905  3.1701  72.757  3.3467  5.148125       4.609772 
1 1 1 -21 -9  28 f 29.678  4.4457  125.527   34.252    0.0000    0.0000    125.527   34.252    ?       ?       29.678  4.4457  ?              ?        
1 1 1 -21 -9  29 o 29.108  3.9871  131.258   25.980    137.384   30.028    113.021   51.813    31.318  3.6480  26.899  7.0909  4.419142       7.974273 
1 1 1 -21 -9  30 f 52.242  2.1259  377.721   29.015    364.032   45.465    387.128   37.688    51.242  3.3306  53.242  2.6427  -2.000473      4.251729 
1 1 1 -21 -9  31 o 41.559  2.1691  239.499   23.198    238.740   37.757    239.959   29.401    41.325  3.4424  41.792  2.6401  -0.4666481     4.338269 
1 1 1 -21 -9  32 o 34.598  2.3220  172.092   20.126    151.953   32.917    184.116   25.435    32.649  3.8373  36.547  2.6155  -3.898552      4.643916 
1 1 1 -21 -9  33 o 15.867  3.0316  39.252    13.052    27.960    23.242    44.454    15.775    14.212  4.9625  17.523  3.4836  -3.311784      6.063162 
1 1 1 -21 -9  34 o 23.780  2.6638  79.596    15.724    90.878    26.950    73.774    19.361    24.825  4.2030  22.735  3.2738  2.089968       5.327562 
1 1 1 -21 -9  35 o 25.815  2.7424  97.809    17.385    95.375    29.391    99.119    21.562    25.189  4.5225  26.441  3.1035  -1.252369      5.484900 
1 1 1 -21 -9  36 f 17.183  3.2432  43.201    14.518    53.013    25.401    38.441    17.693    18.402  5.0161  15.965  4.1124  2.436766       6.486354 
1 1 1 -21 -9  37 o 16.331  4.0520  40.284    17.640    0.0000    0.0000    40.284    17.640    ?       ?       16.331  4.0520  ?              ?        
1 1 1 -21 -9  38 o 22.770  3.1279  75.981    17.561    90.653    30.608    68.782    21.441    24.054  4.9167  21.485  3.8681  2.569561       6.255872 
1 1 1 -21 -9  39 o 11.812  3.2453  16.161    13.330    18.717    26.406    15.287    15.443    12.737  5.0998  10.886  4.0149  1.850769       6.490577 
1 1 1 -21 -9  40 o 13.557  3.4844  24.122    15.047    39.411    28.477    18.200    17.723    15.527  5.4874  11.587  4.2956  3.939991       6.968799 
1 1 1 -21 -8  1  o 44.219  1.8126  264.133   21.374    257.834   29.946    270.674   30.515    43.679  2.5710  44.760  2.5559  -1.080441      3.625288 
1 1 1 -21 -8  2  o 70.265  1.9811  665.428   37.284    668.230   52.709    662.622   52.746    70.414  2.7947  70.115  2.8086  0.2983093      3.962175 
1 1 1 -21 -8  3  o 40.604  1.7932  222.712   19.402    220.295   27.150    225.234   27.737    40.380  2.5229  40.828  2.5491  -0.4481926     3.586481 
1 1 1 -21 -8  4  o 18.511  2.1443  47.400    10.260    49.035    14.524    45.771    14.496    18.847  2.9759  18.175  3.0881  0.6720657      4.288672 
1 1 1 -21 -8  5  f 48.127  1.8257  312.590   23.448    314.142   33.097    311.025   33.223    48.249  2.5703  48.005  2.5935  0.2439613      3.651368 
1 1 1 -21 -8  6  o 26.885  1.9068  98.391    13.503    107.109   19.174    89.812    19.018    28.098  2.5764  25.673  2.8116  2.424181       3.813535 
1 1 1 -21 -8  7  o 45.669  1.8451  281.927   22.437    264.630   31.823    299.026   31.640    44.258  2.6974  47.081  2.5182  -2.823456      3.690113 
1 1 1 -21 -8  8  o 83.634  2.1829  942.916   48.897    952.281   69.623    933.800   68.689    84.043  3.0929  83.225  3.0814  0.8174438      4.365870 
1 1 1 -21 -8  9  o 83.833  2.1972  948.270   49.302    915.333   70.124    980.466   69.330    82.379  3.1781  85.286  3.0350  -2.907150      4.394432 
1 1 1 -21 -8  10 o 126.794 2.7888  2177.51   94.690    2132.88   134.303   2221.62   133.523   125.483 3.9959  128.105 3.8914  -2.621147      5.577609 
1 1 1 -21 -8  11 o 77.443  2.0868  808.218   43.283    816.270   61.658    800.395   60.774    77.822  2.9580  77.063  2.9443  0.7581787      4.173562 
1 1 1 -21 -8  12 f 52.001  1.8619  364.877   25.844    369.476   36.936    360.466   36.174    52.321  2.6442  51.681  2.6218  0.6401062      3.723706 
1 1 1 -21 -8  13 f 57.486  1.9008  444.929   29.259    461.234   41.765    429.215   41.001    58.523  2.6644  56.449  2.7117  2.073536       3.801651 
1 1 1 -21 -8  14 f 42.756  1.8528  247.570   21.075    234.087   30.126    260.491   29.492    41.595  2.7190  43.918  2.5176  -2.323067      3.705626 
1 1 1 -21 -8  15 o 38.784  1.8485  203.560   19.082    202.835   27.358    204.246   26.630    38.710  2.6547  38.858  2.5731  -0.1474991     3.697059 
1 1 1 -21 -8  16 o 55.697  2.2535  407.670   31.747    461.219   55.769    381.997   38.615    58.235  3.5929  53.160  2.7211  5.075802       4.507023 
1 1 1 -21 -8  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -8  18 f 14.657  2.6048  30.215    10.381    38.376    14.818    22.350    14.547    16.525  3.4587  12.788  3.8958  3.736912       5.209619 
1 1 1 -21 -8  19 o 21.578  2.3333  64.625    13.027    62.108    18.825    66.937    18.045    21.135  3.4440  22.021  3.1489  -0.8859253     4.666521 
1 1 1 -21 -8  20 o 74.863  2.1558  758.924   43.179    805.781   61.414    713.120   60.720    77.169  2.9712  72.557  3.1244  4.611778       4.311607 
1 1 1 -21 -8  21 o 46.087  2.0143  288.914   24.688    278.158   35.672    298.802   34.202    45.234  2.9606  46.940  2.7321  -1.705612      4.028577 
1 1 1 -21 -8  22 f 15.270  2.9526  32.919    12.436    35.485    17.812    30.479    17.371    15.813  4.1523  14.728  4.1988  1.084964       5.905258 
1 1 1 -21 -8  23 o 63.538  2.1080  547.196   35.862    568.435   51.204    526.746   50.243    64.755  2.9522  62.321  3.0099  2.434639       4.216038 
1 1 1 -21 -8  24 o 79.797  2.3231  866.606   49.650    863.326   70.526    869.828   69.910    79.639  3.3062  79.954  3.2644  -0.3155823     4.646245 
1 1 1 -21 -8  25 o 44.230  2.1860  267.090   25.713    282.058   36.863    252.906   35.884    45.454  3.0454  43.005  3.1369  2.448952       4.371994 
1 1 1 -21 -8  26 o 50.985  2.1691  355.144   29.474    354.827   42.211    355.446   41.175    50.949  3.1080  51.021  3.0265  -0.7129669E-01 4.338119 
1 1 1 -21 -8  27 o 12.114  3.1359  15.713    13.883    25.183    18.983    4.8232    20.356    13.666  4.4870  10.562  4.3821  3.104672       6.271832 
1 1 1 -21 -8  28 o 49.295  2.2359  351.246   27.642    259.746   43.019    415.590   36.075    43.237  3.7518  55.352  2.4332  -12.11473      4.471719 
1 1 1 -21 -8  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -8  30 o 25.671  2.4252  91.692    15.581    95.397    26.151    89.653    19.400    25.911  3.8880  25.431  2.9000  0.4804153      4.850405 
1 1 1 -21 -8  31 o 46.381  2.1681  297.664   26.098    297.095   41.763    298.028   33.429    46.175  3.4006  46.586  2.6905  -0.4109306     4.336263 
1 1 1 -21 -8  32 o 37.418  2.3169  198.897   22.035    183.279   35.683    208.523   28.015    35.956  3.7608  38.881  2.7070  -2.925266      4.633715 
1 1 1 -21 -8  33 o 24.901  2.5991  84.881    16.335    107.122   27.389    72.601    20.351    27.276  3.8564  22.526  3.4855  4.749779       5.198119 
1 1 1 -21 -8  34 f 53.822  2.1911  399.840   30.926    435.892   49.166    376.237   39.781    55.641  3.3140  52.003  2.8671  3.637974       4.382116 
1 1 1 -21 -8  35 o 15.202  3.1864  35.606    13.785    28.049    23.901    39.373    16.874    14.145  5.0242  16.258  3.9205  -2.112165      6.372839 
1 1 1 -21 -8  36 o 11.028  2.9727  9.1227    11.960    26.693    21.108    0.8138    14.516    13.669  4.7316  8.3870  3.6000  5.282437       5.945440 
1 1 1 -21 -8  37 o 24.553  3.1664  96.110    18.455    77.604    32.209    105.155   22.517    21.959  5.4906  27.147  3.1556  -5.187819      6.332850 
1 1 1 -21 -8  38 o 10.689  4.5762  4.4758    23.346    4.4758    23.346    0.0000    0.0000    10.689  4.5762  ?       ?       ?              ?        
1 1 1 -21 -8  39 o 11.942  3.2430  13.256    13.231    31.366    25.917    6.8723    15.387    14.471  5.2217  9.4125  3.8475  5.058314       6.486036 
1 1 1 -21 -8  40 o 31.669  2.9583  153.968   22.670    150.167   39.351    155.856   27.735    30.580  4.9753  32.758  3.2020  -2.177326      5.916602 
1 1 1 -21 -7  1  o 85.033  2.1849  975.144   49.762    983.122   70.467    967.208   70.282    85.381  3.0813  84.684  3.0985  0.6971130      4.369799 
1 1 1 -21 -7  2  o 14.370  2.3458  29.004    8.9029    34.872    12.681    23.301    12.502    15.814  3.1047  12.926  3.5173  2.887645       4.691507 
1 1 1 -21 -7  3  o 63.733  1.9081  546.627   32.573    541.565   45.940    551.744   46.191    63.436  2.7037  64.031  2.6933  -0.5946007     3.816262 
1 1 1 -21 -7  4  o 25.309  1.8968  87.095    12.654    83.005    17.695    91.375    18.102    24.689  2.7210  25.929  2.6434  -1.240318      3.793634 
1 1 1 -21 -7  5  o 72.331  2.0315  704.258   39.357    711.854   55.876    696.780   55.444    72.718  2.8688  71.943  2.8772  0.7751770      4.063035 
1 1 1 -21 -7  6  o 55.683  1.9026  418.495   28.260    391.360   40.286    444.784   39.653    53.855  2.8025  57.512  2.5741  -3.656628      3.805251 
1 1 1 -21 -7  7  o 27.471  1.8560  102.408   13.489    102.165   19.214    102.643   18.940    27.435  2.6476  27.506  2.6017  -0.7091904E-01 3.711967 
1 1 1 -21 -7  8  o 52.100  1.8735  365.641   26.091    361.760   37.188    369.403   36.615    51.789  2.6901  52.410  2.6083  -0.6207771     3.746963 
1 1 1 -21 -7  9  o 61.116  1.9310  502.482   31.605    505.692   45.162    499.400   44.244    61.305  2.7503  60.927  2.7112  0.3785324      3.861971 
1 1 1 -21 -7  10 o 171.412 3.5119  3996.21   161.239   4031.13   228.508   3961.58   227.547   172.164 4.9553  170.661 4.9779  1.503601       7.023866 
1 1 1 -21 -7  11 o 48.058  1.8329  311.938   23.474    298.423   33.517    324.949   32.887    47.021  2.6723  49.095  2.5093  -2.073460      3.665734 
1 1 1 -21 -7  12 o 75.140  2.0565  760.370   41.387    769.875   58.838    751.061   58.227    75.605  2.9055  74.675  2.9111  0.9303665      4.112950 
1 1 1 -21 -7  13 o 65.971  1.9586  585.986   34.607    586.752   49.180    585.234   48.706    66.012  2.7815  65.930  2.7581  0.8247375E-01  3.917137 
1 1 1 -21 -7  14 o 52.886  1.8575  377.340   26.237    362.537   37.387    391.703   36.828    51.820  2.7030  53.952  2.5485  -2.132275      3.714969 
1 1 1 -21 -7  15 o 19.220  2.3369  52.024    11.465    43.189    16.668    59.959    15.795    17.546  3.6649  20.895  2.9005  -3.348946      4.673818 
1 1 1 -21 -7  16 o 90.755  2.3128  1113.22   56.206    1086.36   79.652    1139.87   79.324    89.653  3.3170  91.858  3.2240  -2.204308      4.625643 
1 1 1 -21 -7  17 o 71.114  2.0201  682.243   38.458    711.642   54.681    653.466   54.099    72.639  2.8105  69.590  2.9024  3.048637       4.040123 
1 1 1 -21 -7  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -7  19 o 62.804  2.0138  532.488   33.864    551.859   48.360    513.851   47.436    63.929  2.8243  61.679  2.8713  2.249241       4.027507 
1 1 1 -21 -7  20 o 21.310  2.3620  63.094    13.009    61.185    18.861    64.826    17.968    20.965  3.4807  21.654  3.1937  -0.6889687     4.723907 
1 1 1 -21 -7  21 o 48.567  2.0231  319.982   26.190    322.478   37.645    317.641   36.460    48.743  2.8964  48.390  2.8252  0.3526611      4.046138 
1 1 1 -21 -7  22 o 49.229  2.0224  328.929   26.546    333.022   38.061    325.053   37.043    49.523  2.8818  48.935  2.8384  0.5878677      4.044890 
1 1 1 -21 -7  23 o 40.737  2.1053  225.939   22.681    258.071   32.709    196.180   31.478    43.575  2.8175  37.898  3.1290  5.676949       4.210585 
1 1 1 -21 -7  24 o 56.653  2.1460  436.728   32.433    453.480   46.173    420.412   45.567    57.740  2.9959  55.566  3.0735  2.173424       4.292042 
1 1 1 -21 -7  25 o 60.766  2.4981  507.596   39.343    515.735   50.270    494.730   63.203    61.609  3.0464  59.924  3.9601  1.684296       4.996235 
1 1 1 -21 -7  26 o 44.358  2.0141  269.226   23.267    263.219   36.744    273.247   30.062    43.855  3.1490  44.860  2.5120  -1.004833      4.028225 
1 1 1 -21 -7  27 o 69.407  2.1609  661.538   39.622    622.206   60.175    691.642   52.646    67.459  3.3303  71.355  2.7545  -3.895897      4.321884 
1 1 1 -21 -7  28 o 41.240  2.0233  227.550   21.822    260.240   35.025    206.809   27.899    43.568  3.0200  38.913  2.6934  4.655327       4.046575 
1 1 1 -21 -7  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -7  30 o 42.980  2.0847  248.653   23.500    286.632   37.355    223.776   30.232    45.598  3.0765  40.363  2.8140  5.234901       4.169347 
1 1 1 -21 -7  31 o 11.151  2.8513  14.465    11.816    -4.6844   21.140    23.166    14.250    9.5196  4.2092  12.782  3.8472  -3.262450      5.702512 
1 1 1 -21 -7  32 o 22.735  2.6926  69.857    15.258    92.109    26.199    58.436    18.770    25.289  4.0011  20.181  3.6045  5.107178       5.385250 
1 1 1 -21 -7  33 o 27.137  2.5035  101.698   17.093    116.479   29.053    93.874    21.138    28.444  3.9173  25.830  3.1184  2.613970       5.006985 
1 1 1 -21 -7  34 o 51.929  2.2377  379.673   30.257    369.543   47.719    386.484   39.129    51.081  3.5090  52.778  2.7777  -1.696892      4.475351 
1 1 1 -21 -7  35 o 10.604  2.9421  11.486    11.946    4.7626    21.147    14.637    14.477    10.428  4.4055  10.779  3.9006  -0.3509026     5.884184 
1 1 1 -21 -7  36 o 26.196  2.7437  92.108    17.825    133.365   31.429    72.546    21.642    30.156  3.9891  22.237  3.7681  7.918785       5.487385 
1 1 1 -21 -7  37 o 38.882  2.4579  219.692   24.127    206.525   39.721    227.391   30.373    37.510  4.0159  40.253  2.8352  -2.742722      4.915840 
1 1 1 -21 -7  38 o 25.399  5.1715  102.112   33.986    102.112   33.986    0.0000    0.0000    25.399  5.1715  ?       ?       ?              ?        
1 1 1 -21 -7  39 o 27.857  2.7629  105.266   19.096    157.605   33.655    80.416    23.190    32.537  3.9422  23.177  3.8721  9.360241       5.525754 
1 1 1 -21 -7  40 o 10.927  3.1930  8.1975    13.647    20.890    26.519    3.6255    15.916    12.878  5.1258  8.9761  3.8087  3.901938       6.385962 
1 1 1 -21 -6  1  o 93.007  2.2625  1166.09   56.359    1152.59   79.757    1179.54   79.650    92.466  3.2203  93.548  3.1788  -1.082550      4.524920 
1 1 1 -21 -6  2  o 53.301  1.8109  382.096   25.844    387.305   36.251    376.713   36.855    53.674  2.5216  52.928  2.5997  0.7453880      3.621710 
1 1 1 -21 -6  3  o 19.710  1.9501  53.377    9.9526    46.877    13.979    60.061    14.173    18.439  2.9282  20.981  2.5762  -2.541615      3.900194 
1 1 1 -21 -6  4  o 62.135  1.9027  519.154   31.666    520.419   44.875    517.899   44.692    62.210  2.6931  62.060  2.6886  0.1503639      3.805469 
1 1 1 -21 -6  5  f 58.618  1.9064  463.007   29.862    431.203   42.543    493.895   41.927    56.620  2.8052  60.616  2.5823  -3.996311      3.812847 
1 1 1 -21 -6  6  o 49.157  1.8383  326.001   24.095    305.909   34.418    345.312   33.743    47.622  2.7095  50.693  2.4851  -3.070992      3.676539 
1 1 1 -21 -6  7  f 63.123  1.9557  536.091   33.046    526.174   47.253    545.584   46.233    62.546  2.8206  63.700  2.7097  -1.153744      3.911304 
1 1 1 -21 -6  8  o 36.993  1.8117  184.977   17.817    180.552   25.661    189.095   24.757    36.554  2.6386  37.432  2.4834  -0.8775139     3.623453 
1 1 1 -21 -6  9  o 42.860  1.8082  247.594   20.650    260.257   29.603    235.592   28.820    43.934  2.5263  41.786  2.5877  2.148056       3.616413 
1 1 1 -21 -6  10 o 93.446  2.2769  1176.26   56.990    1183.19   80.834    1169.41   80.359    93.719  3.2202  93.172  3.2200  0.5472946      4.553887 
1 1 1 -21 -6  11 f 74.319  2.0329  743.313   40.464    738.218   57.442    748.331   57.011    74.064  2.8956  74.574  2.8542  -0.5106812     4.065793 
1 1 1 -21 -6  12 o 83.133  2.1409  930.665   47.666    947.028   67.609    914.493   67.214    83.862  3.0099  82.403  3.0453  1.458450       4.281700 
1 1 1 -21 -6  13 o 79.046  2.0931  841.579   44.292    877.204   62.856    806.442   62.423    80.715  2.9074  77.376  3.0120  3.339157       4.186240 
1 1 1 -21 -6  14 o 67.325  1.9826  610.111   35.737    635.547   50.938    585.454   50.151    68.711  2.7677  65.939  2.8396  2.772308       3.965266 
1 1 1 -21 -6  15 o 61.919  1.9635  516.774   32.534    497.923   46.398    535.007   45.632    60.798  2.8492  63.040  2.7025  -2.241688      3.927023 
1 1 1 -21 -6  16 o 94.252  2.2792  1199.32   57.529    1228.86   81.529    1170.02   81.188    95.416  3.1901  93.088  3.2562  2.327644       4.558442 
1 1 1 -21 -6  17 o 24.196  2.1832  80.315    13.816    79.112    19.823    81.452    19.265    24.003  3.1602  24.389  3.0131  -0.3854027     4.366413 
1 1 1 -21 -6  18 o 21.304  2.4420  64.004    13.227    50.373    18.993    76.840    18.430    18.931  3.8762  23.678  2.9715  -4.746817      4.884083 
1 1 1 -21 -6  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -6  20 o 45.762  2.0288  284.630   24.682    270.289   35.507    298.039   34.333    44.616  2.9885  46.908  2.7446  -2.292667      4.057567 
1 1 1 -21 -6  21 o 65.219  2.0987  575.351   36.657    580.620   52.294    570.261   51.400    65.509  2.9803  64.928  2.9556  0.5816040      4.197350 
1 1 1 -21 -6  22 o 67.327  2.1583  614.014   38.918    619.645   55.448    608.547   54.637    67.629  3.0610  67.025  3.0434  0.6039352      4.316512 
1 1 1 -21 -6  23 o 55.092  1.9441  407.878   28.353    433.427   43.757    389.388   37.225    56.502  2.9011  53.683  2.5889  2.819115       3.888252 
1 1 1 -21 -6  24 o 51.238  1.9597  354.878   26.430    365.753   41.150    347.242   34.483    51.852  2.9753  50.624  2.5513  1.228329       3.919377 
1 1 1 -21 -6  25 o 44.439  1.9232  262.311   22.506    311.755   35.284    228.394   29.223    47.891  2.7624  40.987  2.6766  6.903934       3.846432 
1 1 1 -21 -6  26 o 39.662  2.1414  224.089   21.423    178.800   33.776    254.570   27.709    35.998  3.5491  43.327  2.3970  -7.328407      4.282778 
1 1 1 -21 -6  27 o 10.388  2.7235  11.884    10.095    4.1063    17.515    15.753    12.353    9.8247  4.0696  10.951  3.6207  -1.126135      5.447091 
1 1 1 -21 -6  28 o 59.462  2.1358  488.905   33.308    447.242   50.850    520.216   44.082    57.047  3.3425  61.877  2.6597  -4.830540      4.271575 
1 1 1 -21 -6  29 o 18.143  3.4527  46.684    16.165    0.0000    0.0000    46.684    16.165    ?       ?       18.143  3.4527  ?              ?        
1 1 1 -21 -6  30 o 9.9161  2.8412  6.3770    11.849    0.0071    18.578    10.745    15.383    9.4717  4.0693  10.361  3.9663  -0.8889523     5.682495 
1 1 1 -21 -6  31 o 38.209  2.2578  205.424   22.162    190.138   35.192    215.471   28.530    36.819  3.6150  39.599  2.7061  -2.779327      4.515699 
1 1 1 -21 -6  32 f 14.671  2.9295  32.852    12.230    20.593    20.918    39.219    15.075    12.857  4.6831  16.485  3.5210  -3.628714      5.859097 
1 1 1 -21 -6  33 o 8.7976  2.6235  -6.6279   10.659    15.277    18.816    -16.9792  12.935    11.627  4.4019  5.9687  2.8555  5.657856       5.246938 
1 1 1 -21 -6  34 o 40.562  2.2172  224.588   23.377    261.071   38.148    202.649   29.582    43.019  3.3368  38.104  2.9207  4.914631       4.434487 
1 1 1 -21 -6  35 o 34.038  2.5826  173.830   21.457    140.658   35.147    193.538   27.091    30.807  4.3830  37.268  2.7330  -6.460558      5.165257 
1 1 1 -21 -6  36 o 28.368  2.6716  112.947   18.931    132.049   32.723    103.338   23.209    29.862  4.2078  26.874  3.2932  2.988018       5.343278 
1 1 1 -21 -6  37 o 18.060  3.1088  55.781    15.137    28.840    27.023    68.100    18.273    14.376  5.3092  21.745  3.2360  -7.369419      6.217675 
1 1 1 -21 -6  38 f 33.705  7.7183  208.915   68.179    208.915   68.179    0.0000    0.0000    33.705  7.7183  ?       ?       ?              ?        
1 1 1 -21 -6  39 o 13.324  3.3966  20.919    14.732    40.680    26.806    12.368    17.634    15.952  5.3359  10.695  4.2041  5.257710       6.793123 
1 1 1 -21 -6  40 o 38.385  2.6682  218.360   25.778    224.011   43.446    215.289   32.025    38.163  4.3267  38.606  3.1238  -0.4434166     5.336488 
1 1 1 -21 -5  1  o 51.933  1.7987  362.574   25.015    368.011   35.218    357.039   35.537    52.328  2.5127  51.538  2.5743  0.7904434      3.597324 
1 1 1 -21 -5  2  o 38.427  1.7690  199.262   18.105    199.953   25.411    198.550   25.803    38.498  2.4775  38.356  2.5257  0.1414642      3.537980 
1 1 1 -21 -5  3  o 100.172 2.3985  1352.07   64.340    1325.96   91.227    1377.91   90.756    99.203  3.4333  101.142 3.3501  -1.939262      4.796954 
1 1 1 -21 -5  4  o 131.361 2.8196  2330.48   99.158    2265.47   140.994   2394.10   139.480   129.527 4.0640  133.194 3.9096  -3.667297      5.639257 
1 1 1 -21 -5  5  o 86.027  2.2109  996.167   50.925    984.936   72.802    1006.93   71.260    85.546  3.1773  86.509  3.0754  -0.9632263     4.421884 
1 1 1 -21 -5  6  o 24.192  1.9690  80.522    12.364    69.366    17.857    90.793    17.135    22.507  3.0400  25.878  2.5033  -3.371302      3.938016 
1 1 1 -21 -5  7  o 131.391 2.8653  2331.37   100.800   2282.85   143.499   2378.64   141.626   130.023 4.1204  132.759 3.9828  -2.735626      5.730663 
1 1 1 -21 -5  8  f 15.207  2.3735  33.258    9.4569    23.907    14.018    41.067    12.811    13.166  3.7780  17.248  2.8742  -4.082197      4.747031 
1 1 1 -21 -5  9  o 34.270  1.8878  160.451   16.940    131.942   24.130    188.154   23.786    31.186  2.9228  37.353  2.3900  -6.167234      3.775508 
1 1 1 -21 -5  10 o 79.590  2.0998  852.174   44.763    857.911   63.486    846.502   63.124    79.857  2.9681  79.324  2.9710  0.5331421      4.199532 
1 1 1 -21 -5  11 o 50.427  1.8071  342.090   24.347    359.057   34.749    325.729   34.123    51.692  2.5097  49.161  2.6007  2.531464       3.614190 
1 1 1 -21 -5  12 o 157.866 3.2523  3376.78   137.519   3388.72   194.406   3364.82   194.557   158.150 4.5894  157.583 4.6094  0.5666351      6.504548 
1 1 1 -21 -5  13 o 134.313 2.9063  2439.85   104.554   2458.92   147.869   2420.79   147.855   134.843 4.0941  133.783 4.1262  1.059784       5.812652 
1 1 1 -21 -5  14 o 123.889 2.7604  2075.06   91.593    2101.68   129.567   2048.47   129.497   124.691 3.8795  123.088 3.9279  1.602875       5.520709 
1 1 1 -21 -5  15 o 89.900  2.2681  1089.76   54.612    1105.74   77.476    1073.98   76.994    90.558  3.1941  89.243  3.2210  1.314926       4.536227 
1 1 1 -21 -5  16 o 106.096 2.5019  1521.06   71.096    1533.36   100.656   1508.81   100.435   106.527 3.5277  105.665 3.5487  0.8618317      5.003786 
1 1 1 -21 -5  17 o 32.503  1.9680  143.055   16.947    152.671   24.586    134.351   23.391    33.552  2.7603  31.454  2.8059  2.098394       3.936030 
1 1 1 -21 -5  18 o 47.240  1.9777  301.685   24.903    310.058   35.835    293.864   34.632    47.874  2.8069  46.606  2.7870  1.268002       3.955498 
1 1 1 -21 -5  19 o 41.838  2.7714  237.116   30.881    0.0000    0.0000    237.116   30.881    ?       ?       41.838  2.7714  ?              ?        
1 1 1 -21 -5  20 o 75.463  4.4432  780.602   89.412    780.602   89.412    0.0000    0.0000    75.463  4.4432  ?       ?       ?              ?        
1 1 1 -21 -5  21 o 70.987  2.0265  673.575   38.312    758.018   58.007    608.236   51.025    74.884  2.8920  67.090  2.8394  7.794022       4.052923 
1 1 1 -21 -5  22 o 36.299  1.9064  176.167   18.131    194.872   28.702    163.746   23.389    37.855  2.8517  34.742  2.5309  3.113155       3.812788 
1 1 1 -21 -5  23 o 52.946  1.9822  383.483   27.562    357.942   42.194    402.493   36.402    51.291  3.0857  54.601  2.4891  -3.309906      3.964439 
1 1 1 -21 -5  24 o 54.767  2.0635  416.063   29.419    355.632   44.727    462.144   39.057    51.045  3.2889  58.489  2.4931  -7.444389      4.126989 
1 1 1 -21 -5  25 o 58.552  2.0046  462.506   31.205    482.395   47.499    447.405   41.389    59.619  2.9745  57.486  2.6881  2.133202       4.009127 
1 1 1 -21 -5  26 o 46.635  2.0231  298.543   24.714    282.682   38.046    310.122   32.506    45.471  3.1432  47.800  2.5481  -2.329342      4.046262 
1 1 1 -21 -5  27 f 48.272  2.0204  316.263   25.713    327.566   39.717    308.107   33.738    48.955  3.0440  47.589  2.6575  1.366936       4.040803 
1 1 1 -21 -5  28 o 62.479  2.1415  537.623   35.261    502.588   53.433    564.651   46.932    60.507  3.3095  64.451  2.7186  -3.943832      4.282928 
1 1 1 -21 -5  29 o 35.999  2.1809  179.398   20.249    174.513   32.329    182.553   25.976    35.467  3.4467  36.530  2.6733  -1.063583      4.361888 
1 1 1 -21 -5  30 o 59.076  3.2941  481.862   51.916    481.862   51.916    0.0000    0.0000    59.076  3.2941  ?       ?       ?              ?        
1 1 1 -21 -5  31 o 50.897  2.1405  355.328   28.718    371.066   44.448    344.050   37.625    51.763  3.2218  50.031  2.8192  1.732765       4.281101 
1 1 1 -21 -5  32 o 21.047  2.9181  69.781    15.096    47.097    24.969    82.849    18.952    17.740  5.0259  24.353  2.9668  -6.612513      5.836208 
1 1 1 -21 -5  33 o 31.290  2.3433  133.746   18.925    158.413   30.891    118.926   23.945    33.464  3.4981  29.117  3.1188  4.347498       4.686551 
1 1 1 -21 -5  34 o 15.685  3.2018  35.728    13.663    41.017    23.427    33.001    16.821    16.456  4.9284  14.914  4.0887  1.542383       6.403684 
1 1 1 -21 -5  35 o 23.388  2.8933  81.932    16.543    76.853    27.990    84.658    20.507    22.410  4.8072  24.366  3.2212  -1.955929      5.786682 
1 1 1 -21 -5  36 f 33.798  2.5504  164.436   21.639    165.119   36.347    164.061   26.933    33.478  4.1418  34.117  2.9771  -0.6391525     5.100756 
1 1 1 -21 -5  37 o 26.661  2.8809  105.228   18.729    105.788   32.289    104.944   22.992    26.250  4.7679  27.072  3.2348  -0.8222694     5.761701 
1 1 1 -21 -5  38 o 14.561  6.4963  7.0844    51.504    7.0844    51.504    0.0000    0.0000    14.561  6.4963  ?       ?       ?              ?        
1 1 1 -21 -5  39 o 9.5557  2.5794  5.1853    11.702    -40.6860  23.053    21.110    13.583    7.1431  3.5062  11.968  3.7840  -4.825179      5.158733 
1 1 1 -21 -5  40 o 8.4760  2.7175  -3.5755   11.933    -11.0848  24.040    -1.1204   13.746    9.1612  4.2229  7.7908  3.4214  1.370443       5.435021 
1 1 1 -21 -4  1  o 97.985  4.4134  1298.25   115.830   1298.25   115.830   0.0000    0.0000    97.985  4.4134  ?       ?       ?              ?        
1 1 1 -21 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -4  5  f 34.681  3.5878  163.707   32.846    163.707   32.846    0.0000    0.0000    34.681  3.5878  ?       ?       ?              ?        
1 1 1 -21 -4  6  o 127.269 3.4279  2176.08   110.729   2143.15   135.897   2241.13   190.998   126.050 4.0251  128.488 5.5498  -2.437454      6.855771 
1 1 1 -21 -4  7  o 37.682  1.8312  191.384   18.317    211.411   26.407    172.813   25.429    39.598  2.5027  35.766  2.6738  3.831963       3.662310 
1 1 1 -21 -4  8  f 92.733  2.2776  1157.10   56.558    1191.03   80.203    1123.53   79.768    94.090  3.1824  91.375  3.2592  2.714882       4.555246 
1 1 1 -21 -4  9  o 87.947  2.2302  1040.68   52.524    1068.02   74.397    1013.50   74.165    89.103  3.1173  86.790  3.1904  2.313065       4.460460 
1 1 1 -21 -4  10 o 42.824  1.7983  247.153   20.510    263.138   29.298    231.790   28.722    44.192  2.4853  41.455  2.5999  2.737099       3.596664 
1 1 1 -21 -4  11 o 37.521  1.8479  190.290   18.432    182.096   26.269    198.236   25.869    36.711  2.6902  38.330  2.5340  -1.618713      3.695721 
1 1 1 -21 -4  12 o 189.984 3.7962  4906.82   193.105   5054.62   272.971   4758.75   273.214   192.892 5.2834  187.075 5.4525  5.816711       7.592370 
1 1 1 -21 -4  13 o 151.908 3.1879  3124.85   129.704   3165.16   183.350   3084.48   183.507   152.901 4.4770  150.916 4.5397  1.984222       6.375901 
1 1 1 -21 -4  14 o 158.628 3.2693  3411.83   138.906   3386.39   196.266   3437.38   196.621   158.030 4.6368  159.227 4.6103  -1.196472      6.538658 
1 1 1 -21 -4  15 o 60.132  1.9503  486.743   31.397    478.539   44.836    494.638   43.982    59.629  2.8072  60.635  2.7081  -1.005081      3.900550 
1 1 1 -21 -4  16 o 36.937  1.9080  184.150   18.706    201.423   27.126    168.489   25.830    38.601  2.6394  35.273  2.7559  3.328499       3.815914 
1 1 1 -21 -4  17 o 45.053  1.9473  274.513   23.359    271.030   33.726    277.724   32.385    44.766  2.8273  45.339  2.6786  -0.5738564     3.894675 
1 1 1 -21 -4  18 o 37.456  1.8451  186.145   18.160    212.910   28.610    168.085   23.501    39.662  2.7093  35.249  2.5055  4.413296       3.690233 
1 1 1 -21 -4  19 o 95.114  2.3112  1220.81   58.734    1256.39   86.668    1190.59   79.872    96.368  3.3577  93.861  3.1770  2.507797       4.622496 
1 1 1 -21 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -4  21 o 41.709  1.9332  238.648   21.004    220.954   32.578    251.236   27.477    40.304  3.0401  43.113  2.3888  -2.808903      3.866330 
1 1 1 -21 -4  22 o 48.245  1.9254  314.419   24.539    322.749   37.610    308.245   32.380    48.765  2.8924  47.725  2.5422  1.039581       3.850796 
1 1 1 -21 -4  23 o 50.041  1.9827  341.268   26.130    327.192   39.942    351.799   34.549    49.041  3.0560  51.042  2.5270  -2.001614      3.965464 
1 1 1 -21 -4  24 o 61.787  2.1200  529.634   34.186    443.900   51.218    598.515   45.908    57.029  3.3679  66.545  2.5757  -9.515598      4.239940 
1 1 1 -21 -4  25 o 8.7448  2.3565  -0.2976   8.3981    18.053    14.053    -10.4915  10.474    11.719  3.8612  5.7701  2.7025  5.949307       4.713012 
1 1 1 -21 -4  26 o 30.903  2.0753  127.409   16.735    153.394   26.443    110.050   21.613    33.474  2.9805  28.332  2.8885  5.141920       4.150518 
1 1 1 -21 -4  27 o 64.575  2.1059  567.339   36.126    568.114   54.690    566.740   48.119    64.549  3.1632  64.602  2.7809  -0.5261230E-01 4.211800 
1 1 1 -21 -4  28 o 29.161  2.2019  111.776   16.356    159.779   26.291    81.470    20.890    34.134  2.9032  24.189  3.3113  9.945345       4.403741 
1 1 1 -21 -4  29 o 47.050  2.2036  314.725   26.492    251.922   40.843    360.339   34.808    42.602  3.6134  51.499  2.5235  -8.896084      4.407301 
1 1 1 -21 -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -4  31 o 82.488  2.3823  943.267   52.251    927.957   78.354    955.528   70.118    81.712  3.5800  83.264  3.1440  -1.552383      4.764620 
1 1 1 -21 -4  32 o 10.253  2.7623  10.438    11.111    -6.4873   20.100    17.886    13.334    9.0525  4.0472  11.454  3.7605  -2.401577      5.524559 
1 1 1 -21 -4  33 o 16.834  3.1301  40.323    13.720    49.456    23.694    35.716    16.828    18.101  4.8064  15.567  4.0110  2.533689       6.260161 
1 1 1 -21 -4  34 o 42.594  2.2642  250.675   25.057    275.654   40.654    235.372   31.819    44.109  3.4689  41.078  2.9108  3.031467       4.528388 
1 1 1 -21 -4  35 o 34.580  2.4049  162.169   21.347    207.065   35.839    137.482   26.576    38.039  3.5588  31.121  3.2355  6.917931       4.809773 
1 1 1 -21 -4  36 o 33.016  2.5236  143.834   20.642    233.210   34.834    95.461    25.627    40.531  3.2356  25.501  3.8738  15.03067       5.047297 
1 1 1 -21 -4  37 o 30.539  2.6966  135.138   20.464    140.368   34.907    132.400   25.259    30.585  4.3866  30.493  3.1375  0.9258842E-01  5.393130 
1 1 1 -21 -4  38 o 7.2771  3.5461  -35.4697  22.341    -35.4697  22.341    0.0000    0.0000    7.2771  3.5461  ?       ?       ?              ?        
1 1 1 -21 -4  39 o 6.7014  2.3164  -26.7462  11.395    -15.6534  21.332    -31.1756  13.480    8.2850  3.8728  5.1178  2.5426  3.167193       4.632890 
1 1 1 -21 -4  40 o 26.623  2.9673  96.037    19.241    162.398   34.778    66.767    23.097    32.637  4.0666  20.609  4.3222  12.02756       5.934546 
1 1 1 -21 -3  1  o 34.267  1.7586  158.736   16.004    168.079   22.548    149.252   22.718    35.300  2.3991  33.235  2.5721  2.064434       3.517240 
1 1 1 -21 -3  2  o 64.424  1.9151  557.851   33.031    546.485   47.095    568.857   46.341    63.774  2.7570  65.074  2.6587  -1.299797      3.830121 
1 1 1 -21 -3  3  o 54.034  1.8523  393.637   26.689    372.055   38.391    413.824   37.129    52.554  2.7368  55.514  2.4970  -2.960724      3.704692 
1 1 1 -21 -3  4  o 106.392 2.4564  1523.98   69.963    1507.65   100.257   1539.47   97.678    105.827 3.5370  106.957 3.4095  -1.130524      4.912733 
1 1 1 -21 -3  5  o 77.702  2.1153  810.971   44.007    835.552   63.259    787.917   61.261    78.842  2.9955  76.562  2.9873  2.279602       4.230504 
1 1 1 -21 -3  6  o 35.995  1.7995  174.675   17.225    183.925   24.758    165.997   23.980    36.926  2.5182  35.065  2.5711  1.860214       3.598910 
1 1 1 -21 -3  7  o 52.135  3.5194  367.520   48.858    0.0000    0.0000    367.520   48.858    ?       ?       52.135  3.5194  ?              ?        
1 1 1 -21 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -3  9  o 110.919 2.5536  1657.58   75.819    1722.87   107.179   1592.17   107.271   113.119 3.5374  108.719 3.6837  4.399796       5.107178 
1 1 1 -21 -3  10 o 52.592  1.8733  372.270   26.325    360.291   37.400    384.033   37.060    51.713  2.7095  53.470  2.5877  -1.756706      3.746670 
1 1 1 -21 -3  11 o 138.581 2.9674  2593.05   110.138   2622.60   155.594   2563.37   155.924   139.380 4.1678  137.782 4.2251  1.598099       5.934766 
1 1 1 -21 -3  12 o 120.176 2.6552  1948.12   85.422    2020.93   120.794   1875.29   120.817   122.438 3.6833  117.914 3.8254  4.524887       5.310401 
1 1 1 -21 -3  13 o 117.915 2.6557  1875.77   83.868    1906.39   118.593   1845.15   118.623   118.885 3.7243  116.946 3.7870  1.939079       5.311457 
1 1 1 -21 -3  14 o 133.713 2.8650  2416.20   102.608   2395.41   144.963   2437.08   145.257   133.133 4.0652  134.294 4.0382  -1.160980      5.730034 
1 1 1 -21 -3  15 o 51.845  1.7864  355.927   24.557    411.571   37.781    315.222   32.314    55.329  2.5494  48.361  2.5032  6.968052       3.572864 
1 1 1 -21 -3  16 o 44.486  1.7766  260.941   20.838    317.919   32.333    220.460   27.253    48.561  2.4943  40.410  2.5307  8.150539       3.553252 
1 1 1 -21 -3  17 o 32.026  1.8117  134.191   15.138    167.304   24.272    113.110   19.367    35.165  2.5952  28.887  2.5285  6.278864       3.623338 
1 1 1 -21 -3  18 o 84.147  2.1567  949.543   48.459    1033.85   72.029    879.831   65.498    87.534  3.0721  80.760  3.0279  6.774529       4.313482 
1 1 1 -21 -3  19 o 56.785  1.9165  433.510   28.956    444.216   43.771    425.179   38.612    57.388  2.8476  56.183  2.5659  1.205692       3.833066 
1 1 1 -21 -3  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -3  21 o 33.017  2.2518  148.191   19.589    141.319   26.331    156.708   29.313    32.175  3.0935  33.860  3.2729  -1.685078      4.503547 
1 1 1 -21 -3  22 o 58.691  1.9864  466.246   30.953    465.834   46.553    466.573   41.440    58.598  2.9758  58.783  2.6319  -0.1858063     3.972718 
1 1 1 -21 -3  23 o 39.815  1.9553  215.777   20.428    213.047   31.516    217.755   26.826    39.547  2.9976  40.084  2.5113  -0.5368690     3.910525 
1 1 1 -21 -3  24 o 19.239  2.4992  49.612    12.185    66.612    19.673    39.032    15.520    21.863  3.4758  16.614  3.5922  5.248806       4.998449 
1 1 1 -21 -3  25 o 68.255  2.0834  628.165   37.924    673.028   56.954    592.431   50.831    70.409  3.0200  66.102  2.8709  4.307121       4.166867 
1 1 1 -21 -3  26 o 71.928  2.1856  707.270   41.765    672.066   62.229    736.125   56.338    70.210  3.3090  73.647  2.8560  -3.436272      4.371105 
1 1 1 -21 -3  27 o 35.974  2.0849  177.421   19.576    175.762   30.479    178.586   25.541    35.756  3.2169  36.193  2.6531  -0.4367218     4.169821 
1 1 1 -21 -3  28 f 43.087  2.1611  261.254   23.946    221.250   37.039    289.983   31.388    40.012  3.4910  46.161  2.5485  -6.149063      4.322268 
1 1 1 -21 -3  29 o 20.787  2.8366  66.456    14.539    45.484    23.664    79.173    18.427    17.665  4.8524  23.909  2.9392  -6.244307      5.673165 
1 1 1 -21 -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -3  31 f 64.130  2.2004  565.391   37.340    581.251   57.319    553.698   49.216    64.749  3.3162  63.511  2.8931  1.238182       4.400798 
1 1 1 -21 -3  32 o 15.956  3.0999  36.488    13.150    41.078    22.501    34.107    16.206    16.637  4.7900  15.276  3.9362  1.360781       6.199823 
1 1 1 -21 -3  33 o 50.075  2.2065  348.123   28.974    359.054   45.441    340.634   37.611    50.568  3.3743  49.581  2.8440  0.9865646      4.413000 
1 1 1 -21 -3  34 o 48.174  2.2414  323.335   28.238    339.142   44.747    312.874   36.402    48.957  3.4341  47.392  2.8814  1.564964       4.482826 
1 1 1 -21 -3  35 o 11.951  3.1663  16.249    12.989    23.188    22.828    12.926    15.796    13.261  4.8829  10.642  4.0322  2.619611       6.332502 
1 1 1 -21 -3  36 o 15.975  3.2452  40.780    14.584    28.874    26.175    46.139    17.562    14.351  5.2370  17.599  3.8341  -3.248451      6.490477 
1 1 1 -21 -3  37 o 16.339  3.3835  42.188    15.529    35.958    26.809    45.334    19.051    15.406  5.3325  17.271  4.1662  -1.865382      6.767048 
1 1 1 -21 -3  38 o 16.227  5.4437  41.760    27.901    41.760    27.901    0.0000    0.0000    16.227  5.4437  ?       ?       ?              ?        
1 1 1 -21 -3  39 o 10.250  3.0848  5.9440    14.394    -5.6893   26.684    10.718    17.095    10.186  4.5992  10.314  4.1122  -0.1281548     6.169511 
1 1 1 -21 -3  40 o 19.837  3.5285  64.097    17.758    68.165    32.016    62.289    21.342    19.686  5.7270  19.987  4.1235  -0.3006954     7.056985 
1 1 1 -21 -2  1  o 130.714 2.8164  2305.47   98.504    2201.29   140.005   2407.60   138.617   127.763 4.0912  133.665 3.8718  -5.900978      5.632810 
1 1 1 -21 -2  2  o 71.777  2.0090  692.038   38.610    698.163   55.475    686.283   53.770    72.083  2.8733  71.472  2.8087  0.6106873      4.018047 
1 1 1 -21 -2  3  o 129.166 2.8136  2250.03   97.262    2176.71   138.726   2320.91   136.401   127.075 4.0757  131.257 3.8798  -4.181572      5.627112 
1 1 1 -21 -2  4  o 95.006  2.3242  1213.39   59.134    1240.65   84.603    1187.35   82.686    96.049  3.2886  93.963  3.2854  2.085388       4.648476 
1 1 1 -21 -2  5  o 42.235  1.8194  240.339   20.470    241.404   29.534    239.355   28.396    42.320  2.6183  42.149  2.5269  0.1712608      3.638808 
1 1 1 -21 -2  6  o 64.287  1.9900  555.197   34.259    553.297   48.872    557.032   48.038    64.177  2.8431  64.397  2.7850  -0.2202682     3.979906 
1 1 1 -21 -2  7  o 69.307  2.0257  645.707   37.575    616.375   53.155    675.004   53.123    67.728  2.9301  70.887  2.7979  -3.158356      4.051396 
1 1 1 -21 -2  8  o 93.644  2.3050  1179.36   57.812    1160.86   81.600    1198.01   81.917    92.905  3.2792  94.384  3.2403  -1.479385      4.610053 
1 1 1 -21 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -2  10 o 79.565  3.2331  861.034   68.272    894.926   93.278    821.930   100.195   81.318  4.2979  77.812  4.8312  3.505325       6.466249 
1 1 1 -21 -2  11 o 98.415  2.3760  1303.66   62.628    1321.90   88.560    1285.41   88.580    99.107  3.3361  97.723  3.3842  1.384407       4.752089 
1 1 1 -21 -2  12 o 168.093 3.3442  3819.74   150.408   4072.52   216.113   3582.27   209.462   173.510 4.6502  162.676 4.8072  10.83424       6.688300 
1 1 1 -21 -2  13 o 69.822  1.9351  651.477   36.057    699.977   53.891    612.167   48.517    72.156  2.7884  67.488  2.6840  4.667992       3.870234 
1 1 1 -21 -2  14 o 63.544  1.8799  538.718   31.840    583.603   48.015    503.489   42.537    65.883  2.7209  61.205  2.5947  4.677940       3.759786 
1 1 1 -21 -2  15 o 40.579  1.7746  216.398   18.934    269.110   29.563    179.740   24.653    44.679  2.4801  36.479  2.5390  8.199509       3.549254 
1 1 1 -21 -2  16 o 70.549  2.0315  672.685   38.085    647.180   56.956    693.313   51.221    69.309  3.0680  71.789  2.6638  -2.480247      4.063072 
1 1 1 -21 -2  17 o 35.648  1.8386  169.851   17.241    185.174   26.858    159.111   22.485    36.989  2.7302  34.308  2.4632  2.680382       3.677159 
1 1 1 -21 -2  18 o 71.071  2.0469  680.528   38.789    684.467   57.740    677.288   52.364    71.236  3.0261  70.905  2.7572  0.3319016      4.093843 
1 1 1 -21 -2  19 o 62.996  1.9901  535.292   33.385    533.658   49.922    536.613   44.903    62.885  2.9638  63.106  2.6565  -0.2208977     3.980134 
1 1 1 -21 -2  20 o 59.379  1.9808  476.927   31.227    471.541   46.853    481.231   41.886    59.012  2.9738  59.746  2.6174  -0.7339058     3.961554 
1 1 1 -21 -2  21 o 16.675  3.9435  39.348    17.336    39.348    17.336    0.0000    0.0000    16.675  3.9435  ?       ?       ?              ?        
1 1 1 -21 -2  22 o 19.976  2.5196  61.830    12.242    33.626    19.047    81.681    15.980    15.467  4.3923  24.486  2.4702  -9.019567      5.039275 
1 1 1 -21 -2  23 o 38.810  1.9711  205.364   20.091    200.829   30.765    208.735   26.529    38.384  3.0167  39.236  2.5379  -0.8516273     3.942261 
1 1 1 -21 -2  24 o 45.824  2.0030  287.449   24.118    271.962   36.727    299.191   31.981    44.663  3.0890  46.984  2.5508  -2.320946      4.006082 
1 1 1 -21 -2  25 o 98.512  2.4455  1321.65   64.402    1348.53   94.463    1298.29   88.033    99.401  3.5480  97.623  3.3667  1.778023       4.891094 
1 1 1 -21 -2  26 o 82.286  2.3113  927.471   50.589    875.963   74.774    970.949   68.699    80.070  3.4865  84.502  3.0352  -4.432343      4.622596 
1 1 1 -21 -2  27 o 37.834  2.1025  198.957   20.601    180.187   31.940    212.329   26.958    36.168  3.3346  39.500  2.5619  -3.331722      4.205090 
1 1 1 -21 -2  28 o 28.887  2.2295  115.019   16.571    116.648   26.438    113.964   21.267    28.962  3.4777  28.812  2.7907  0.1496277      4.458970 
1 1 1 -21 -2  29 o 30.311  2.3231  130.350   17.765    115.809   28.434    139.659   22.752    28.705  3.7909  31.917  2.6863  -3.211878      4.646198 
1 1 1 -21 -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -2  31 o 32.821  2.2955  147.514   19.497    163.162   31.508    137.805   24.819    34.116  3.4974  31.527  2.9742  2.589024       4.591094 
1 1 1 -21 -2  32 o 26.494  2.8075  107.783   17.630    79.632    29.162    124.000   22.134    23.085  4.8694  29.903  2.7958  -6.818035      5.614929 
1 1 1 -21 -2  33 o 23.146  2.8619  80.698    16.184    69.424    26.904    87.091    20.259    21.439  4.8042  24.853  3.1114  -3.414291      5.723731 
1 1 1 -21 -2  34 o 11.451  3.0284  15.217    11.704    17.166    21.535    14.399    13.942    12.229  4.6901  10.672  3.8323  1.557192       6.056736 
1 1 1 -21 -2  35 o 35.584  2.4382  177.591   22.216    194.655   36.875    167.868   27.835    36.666  3.8103  34.501  3.0433  2.165207       4.876466 
1 1 1 -21 -2  36 o 16.702  3.3542  42.668    14.914    43.163    27.277    42.457    17.813    16.612  5.3742  16.791  4.0149  -0.1788654     6.708303 
1 1 1 -21 -2  37 o 29.260  2.8938  127.889   20.617    124.075   35.388    129.849   25.367    28.377  4.8290  30.144  3.1902  -1.767756      5.787595 
1 1 1 -21 -2  38 o 17.645  3.1111  32.563    16.127    98.807    29.940    5.4859    19.142    25.300  4.5870  9.9896  4.2043  15.31093       6.222295 
1 1 1 -21 -2  39 o 20.256  3.2965  57.438    16.731    94.116    30.447    41.572    20.025    24.297  4.8485  16.215  4.4678  8.081921       6.593067 
1 1 1 -21 -2  40 f 26.886  3.2080  115.830   20.674    110.846   36.049    118.272   25.236    25.531  5.4381  28.242  3.4048  -2.711079      6.416005 
1 1 1 -21 -1  1  o 61.359  1.8934  506.453   31.060    487.015   44.740    524.537   43.154    60.214  2.7740  62.503  2.5777  -2.289211      3.786769 
1 1 1 -21 -1  2  o 53.376  1.8194  382.582   25.997    380.043   37.344    384.969   36.212    53.202  2.6206  53.551  2.5246  -0.3486557     3.638868 
1 1 1 -21 -1  3  o 80.972  2.1492  880.825   46.603    892.809   66.663    869.369   65.177    81.509  3.0534  80.435  3.0252  1.074593       4.298308 
1 1 1 -21 -1  4  o 49.528  1.8389  330.058   24.300    335.841   34.966    324.656   33.794    49.946  2.6229  49.110  2.5781  0.8366318      3.677813 
1 1 1 -21 -1  5  o 121.866 2.7564  1999.70   89.970    2021.65   127.945   1978.23   126.541   122.527 3.8985  121.204 3.8979  1.322884       5.512872 
1 1 1 -21 -1  6  o 155.850 3.2747  3278.47   136.694   3242.41   193.397   3314.46   193.232   154.987 4.6587  156.714 4.6034  -1.727112      6.549445 
1 1 1 -21 -1  7  o 109.274 2.4943  1607.36   72.964    1663.75   102.897   1550.33   103.478   111.213 3.4543  107.335 3.5993  3.877991       4.988672 
1 1 1 -21 -1  8  o 54.107  1.7401  389.653   25.028    453.120   37.355    337.953   33.715    58.104  2.4002  50.111  2.5199  7.992657       3.480111 
1 1 1 -21 -1  9  o 27.718  1.6994  104.209   12.297    102.040   19.009    105.770   16.126    27.442  2.6179  27.994  2.1675  -0.5514450     3.398782 
1 1 1 -21 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -1  11 o 35.199  2.3756  180.723   20.327    226.413   26.796    118.797   31.196    40.991  2.4518  29.406  4.0698  11.58535       4.751282 
1 1 1 -21 -1  12 o 26.118  2.0690  99.077    13.120    71.270    20.824    117.380   16.895    22.740  3.5335  29.496  2.1533  -6.755629      4.137907 
1 1 1 -21 -1  13 o 14.355  2.1738  23.711    9.1418    57.655    14.904    3.2376    11.575    20.525  2.7828  8.1845  3.3403  12.34030       4.347558 
1 1 1 -21 -1  14 o 21.992  2.0652  63.202    11.406    92.871    18.217    44.072    14.628    26.155  2.6363  17.830  3.1795  8.325272       4.130304 
1 1 1 -21 -1  15 o 108.916 2.4826  1597.12   72.336    1653.05   105.531   1547.56   99.345    110.700 3.5591  107.131 3.4621  3.569672       4.965255 
1 1 1 -21 -1  16 o 66.247  2.0075  595.199   35.274    552.051   52.517    630.666   47.613    64.016  3.0628  68.479  2.5959  -4.462837      4.014902 
1 1 1 -21 -1  17 o 140.042 3.0172  2662.90   113.009   2585.57   162.734   2734.92   157.055   138.020 4.4020  142.064 4.1274  -4.044357      6.034327 
1 1 1 -21 -1  18 o 22.313  2.4351  79.044    12.502    36.484    19.291    109.857   16.415    16.119  4.3621  28.507  2.1659  -12.38858      4.870201 
1 1 1 -21 -1  19 o 79.188  2.1446  844.482   45.391    876.429   66.846    817.149   61.832    80.561  3.0979  77.815  2.9666  2.745422       4.289229 
1 1 1 -21 -1  20 o 73.143  2.1335  727.172   41.498    677.260   61.128    769.839   56.518    70.755  3.2255  75.531  2.7936  -4.775803      4.267098 
1 1 1 -21 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 -1  22 o 61.737  1.9977  511.783   32.912    558.429   49.192    473.985   44.282    64.259  2.8581  59.215  2.7919  5.044453       3.995436 
1 1 1 -21 -1  23 o 9.8935  2.4845  9.4148    8.4219    18.794    13.500    3.4397    10.776    11.842  3.7756  7.9446  3.2304  3.897779       4.968945 
1 1 1 -21 -1  24 o 41.704  1.9432  232.901   21.412    265.898   32.908    208.676   28.197    44.229  2.7922  39.180  2.7034  5.048485       3.886484 
1 1 1 -21 -1  25 o 18.623  2.5798  51.245    12.024    39.320    19.222    58.910    15.411    16.593  4.2926  20.654  2.8627  -4.061558      5.159618 
1 1 1 -21 -1  26 o 93.237  2.4570  1193.52   60.987    1125.60   89.681    1251.95   83.183    90.636  3.6941  95.838  3.2405  -5.201523      4.913973 
1 1 1 -21 -1  27 o 57.011  2.1253  445.810   31.975    426.019   48.515    461.009   42.516    55.756  3.2628  58.266  2.7243  -2.510441      4.250621 
1 1 1 -21 -1  28 o 11.724  2.7794  18.339    10.342    11.360    17.538    22.060    12.805    10.929  4.2217  12.518  3.6162  -1.588870      5.558759 
1 1 1 -21 -1  29 o 23.921  2.6668  84.027    15.628    69.670    25.371    92.805    19.838    21.932  4.4706  25.910  2.9089  -3.977663      5.333651 
1 1 1 -21 -1  30 f 19.808  4.4577  57.376    23.079    57.376    23.079    0.0000    0.0000    19.808  4.4577  ?       ?       ?              ?        
1 1 1 -21 -1  31 o 31.916  2.3353  138.059   19.191    162.235   31.624    123.965   24.146    33.987  3.5251  29.845  3.0640  4.142582       4.670597 
1 1 1 -21 -1  32 o 41.518  2.2097  234.950   23.894    265.888   38.678    215.856   30.386    43.578  3.3391  39.459  2.8952  4.118999       4.419473 
1 1 1 -21 -1  33 o 10.904  2.9393  10.925    11.382    20.900    20.011    6.1545    13.838    12.699  4.5873  9.1099  3.6761  3.588778       5.878567 
1 1 1 -21 -1  34 o 16.840  3.1010  45.085    14.238    31.155    23.948    52.701    17.708    14.679  5.0422  19.002  3.6113  -4.322932      6.202051 
1 1 1 -21 -1  35 o 18.458  3.1660  55.962    15.411    36.868    26.671    65.531    18.881    15.644  5.3220  21.271  3.4307  -5.627033      6.331957 
1 1 1 -21 -1  36 o 28.550  2.8193  122.331   19.553    112.721   33.179    127.446   24.203    27.138  4.7369  29.962  3.0587  -2.824429      5.638583 
1 1 1 -21 -1  37 o 17.868  4.1206  48.505    19.318    0.0000    0.0000    48.505    19.318    ?       ?       17.868  4.1206  ?              ?        
1 1 1 -21 -1  38 o 12.238  3.3588  14.039    14.820    32.162    27.172    6.3646    17.682    14.671  5.3385  9.8062  4.0776  4.864526       6.717598 
1 1 1 -21 -1  39 o 13.409  3.3507  27.573    15.513    11.898    27.891    34.594    18.667    11.995  5.0630  14.823  4.3903  -2.828295      6.701425 
1 1 1 -21 -1  40 o 18.700  3.6072  52.567    17.165    81.249    32.722    41.679    20.161    21.430  5.6284  15.970  4.5133  5.459561       7.214438 
1 1 1 -21 0   1  o 84.736  2.1671  964.597   49.155    1012.70   70.166    918.240   68.884    86.814  3.0175  82.658  3.1113  4.156357       4.334242 
1 1 1 -21 0   2  o 136.950 2.9430  2527.16   107.954   2545.24   153.123   2509.29   152.221   137.437 4.1596  136.462 4.1646  0.9749451      5.886057 
1 1 1 -21 0   3  o 51.794  2.1436  359.920   28.742    354.564   36.390    368.800   46.861    51.322  2.6563  52.266  3.3652  -0.9439392     4.287273 
1 1 1 -21 0   4  o 49.854  1.7706  335.121   23.368    325.949   35.294    342.279   31.182    49.199  2.6885  50.508  2.3049  -1.308704      3.541231 
1 1 1 -21 0   5  o 217.858 4.3226  6447.11   251.894   6161.94   359.727   6721.47   352.836   213.036 6.3042  222.680 5.9157  -9.643311      8.645121 
1 1 1 -21 0   6  o 151.986 3.1596  3116.53   128.534   3077.86   184.593   3152.93   179.081   151.048 4.5626  152.924 4.3720  -1.876312      6.319179 
1 1 1 -21 0   7  o 37.024  1.7466  190.964   16.610    146.499   24.819    227.033   22.353    32.905  2.8439  41.143  2.0284  -8.238155      3.493208 
1 1 1 -21 0   8  f 43.362  1.7018  254.956   19.481    236.097   29.184    270.113   26.164    41.853  2.6165  44.871  2.1770  -3.017769      3.403684 
1 1 1 -21 0   9  o 92.677  2.2279  1158.94   55.072    1094.31   80.205    1216.59   75.752    90.204  3.3196  95.150  2.9723  -4.945847      4.455844 
1 1 1 -21 0   10 o 91.255  2.2085  1120.80   53.827    1103.01   78.814    1136.36   73.689    90.561  3.2491  91.950  2.9920  -1.388206      4.416916 
1 1 1 -21 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 0   12 o 51.656  1.8769  365.341   25.374    319.768   38.391    400.691   33.812    48.680  2.9584  54.633  2.3106  -5.953449      3.753772 
1 1 1 -21 0   13 o 62.784  1.9017  527.048   31.823    555.915   47.894    504.229   42.582    64.308  2.7805  61.261  2.5951  3.047798       3.803433 
1 1 1 -21 0   14 o 45.445  1.7984  275.838   21.674    301.532   32.913    256.164   28.800    47.295  2.6082  43.596  2.4766  3.699417       3.596725 
1 1 1 -21 0   15 o 45.262  1.9384  284.503   22.671    227.857   34.131    329.232   30.329    41.016  3.1304  49.508  2.2871  -8.492016      3.876889 
1 1 1 -21 0   16 o 26.178  1.9820  95.155    13.292    83.301    20.451    103.824   17.490    24.663  3.1691  27.693  2.3812  -3.029325      3.964009 
1 1 1 -21 0   17 o 58.993  1.9903  474.818   30.979    422.163   45.883    518.931   41.997    55.877  3.0776  62.109  2.5245  -6.232903      3.980506 
1 1 1 -21 0   18 o 47.417  1.8798  303.993   23.630    301.217   35.347    306.237   31.774    47.197  2.8088  47.638  2.4989  -0.4404297     3.759524 
1 1 1 -21 0   19 o 57.709  1.9620  450.632   30.104    439.080   44.632    460.274   40.775    56.968  2.9350  58.450  2.6045  -1.481094      3.923969 
1 1 1 -21 0   20 o 84.963  2.2797  981.810   51.581    912.499   75.313    1043.05   70.791    82.068  3.4261  87.858  3.0082  -5.790329      4.559352 
1 1 1 -21 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 0   22 o 56.742  1.9650  431.497   29.662    489.334   44.536    385.386   39.766    60.166  2.7636  53.318  2.7942  6.847786       3.930013 
1 1 1 -21 0   23 o 45.903  1.9817  286.508   23.979    283.932   36.620    288.441   31.727    45.672  3.0104  46.133  2.5779  -0.4612961     3.963343 
1 1 1 -21 0   24 o 18.141  2.5340  46.344    11.654    46.398    18.523    46.308    14.993    18.075  3.9374  18.206  3.1910  -0.1304321     5.068067 
1 1 1 -21 0   25 o 53.580  2.0976  395.027   29.532    360.042   44.682    422.166   39.353    51.320  3.2676  55.841  2.6311  -4.520615      4.195205 
1 1 1 -21 0   26 o 62.791  2.0890  532.841   34.937    565.202   52.821    507.672   46.583    64.441  3.0602  61.140  2.8445  3.300957       4.178060 
1 1 1 -21 0   27 o 15.501  2.6601  37.460    11.885    12.397    19.022    53.510    15.222    11.396  4.3982  19.607  2.9935  -8.210973      5.320275 
1 1 1 -21 0   28 f 28.584  2.3331  114.743   17.033    106.771   26.772    120.164   22.078    27.597  3.7163  29.570  2.8217  -1.973385      4.666165 
1 1 1 -21 0   29 o 36.239  2.8060  185.436   23.200    182.648   45.419    186.420   26.986    35.613  4.8906  36.866  2.7528  -1.252888      5.612095 
1 1 1 -21 0   30 o 10.572  2.8762  9.7340    10.845    16.879    19.310    6.4416    13.108    12.080  4.4828  9.0631  3.6049  3.017049       5.752420 
1 1 1 -21 0   31 o 26.777  2.5590  99.661    17.181    108.977   29.027    94.637    21.316    27.550  4.0549  26.004  3.1228  1.546326       5.118045 
1 1 1 -21 0   32 o 26.970  2.6266  103.804   17.531    104.596   29.703    103.381   21.718    26.773  4.2867  27.167  3.0366  -0.3932915     5.253195 
1 1 1 -21 0   33 o 27.140  2.5014  98.389    17.120    140.087   28.815    75.640    21.283    31.369  3.4886  22.912  3.5857  8.456972       5.002748 
1 1 1 -21 0   34 o 10.383  2.9314  9.8670    11.659    8.7288    20.971    10.376    14.026    10.899  4.4775  9.8665  3.7849  1.032465       5.862868 
1 1 1 -21 0   35 o 20.102  2.8112  47.711    14.440    113.378   26.771    20.768    17.148    27.945  3.6651  12.258  4.2636  15.68638       5.622331 
1 1 1 -21 0   36 o 50.638  2.4393  369.016   31.747    360.163   51.497    374.443   40.320    49.686  3.9009  51.589  2.9300  -1.903080      4.878695 
1 1 1 -21 0   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 0   38 o 12.807  3.1139  23.943    14.629    -4.1034   26.547    36.176    17.532    10.317  4.6289  15.297  4.1662  -4.980166      6.227713 
1 1 1 -21 0   39 o 29.186  2.9533  124.720   21.238    151.389   37.663    112.286   25.717    30.909  4.6971  27.462  3.5813  3.446379       5.906698 
1 1 1 -21 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 1   4  o 96.552  2.8925  1261.27   68.467    1246.41   124.270   1267.75   82.042    95.972  4.8500  97.132  3.1534  -1.159447      5.785054 
1 1 1 -21 1   5  o 138.930 2.9320  2597.39   109.042   2675.59   157.566   2525.51   151.056   140.930 4.1742  136.930 4.1186  3.999039       5.864008 
1 1 1 -21 1   6  o 95.726  2.3265  1238.89   59.303    1132.14   86.023    1335.57   81.866    91.750  3.5004  99.702  3.0656  -7.951630      4.653008 
1 1 1 -21 1   7  o 98.203  2.3083  1301.29   60.477    1217.44   87.562    1377.77   83.629    95.147  3.4359  101.259 3.0834  -6.112320      4.616551 
1 1 1 -21 1   8  o 72.613  2.0005  717.552   38.394    619.256   56.296    803.029   52.497    67.881  3.0963  77.345  2.5340  -9.463280      4.001027 
1 1 1 -21 1   9  o 128.583 2.7137  2222.93   93.366    2366.91   134.924   2090.62   129.333   132.579 3.7995  124.587 3.8757  7.991791       5.427446 
1 1 1 -21 1   10 o 65.769  1.8703  574.947   32.714    681.334   48.856    488.478   44.045    71.233  2.5606  60.304  2.7269  10.92876       3.740645 
1 1 1 -21 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 1   12 o 101.152 2.4050  1382.92   64.869    1300.87   94.475    1456.11   89.226    98.272  3.5892  104.032 3.2021  -5.759743      4.809978 
1 1 1 -21 1   13 o 42.934  1.8403  250.942   20.789    231.003   31.239    266.793   27.853    41.355  2.8374  44.512  2.3444  -3.157837      3.680623 
1 1 1 -21 1   14 o 45.340  1.8466  278.622   22.134    265.117   33.088    289.560   29.777    44.314  2.8021  46.366  2.4059  -2.052353      3.693289 
1 1 1 -21 1   15 o 36.996  1.8949  189.133   18.199    158.083   27.263    214.091   24.442    34.136  3.0126  39.856  2.2994  -5.719215      3.789870 
1 1 1 -21 1   16 o 64.441  1.9879  559.890   34.182    547.507   50.270    570.541   46.619    63.762  2.9434  65.121  2.6727  -1.359024      3.975836 
1 1 1 -21 1   17 o 87.270  2.2416  1025.97   52.340    1054.85   76.215    1000.18   72.004    88.422  3.2180  86.119  3.1215  2.303001       4.483272 
1 1 1 -21 1   18 o 46.557  1.8927  292.697   23.392    295.158   34.871    290.683   31.543    46.716  2.7997  46.398  2.5478  0.3178101      3.785480 
1 1 1 -21 1   19 o 65.410  2.0212  575.664   35.326    599.337   52.158    555.601   48.017    66.639  2.9222  64.182  2.7931  2.456131       4.042360 
1 1 1 -21 1   20 o 49.036  1.9238  323.831   25.056    341.764   37.600    309.507   33.605    50.238  2.8054  47.833  2.6330  2.405094       3.847516 
1 1 1 -21 1   21 o 75.721  3.2014  776.872   64.931    776.872   64.931    0.0000    0.0000    75.721  3.2014  ?       ?       ?              ?        
1 1 1 -21 1   22 o 40.467  2.0366  227.411   21.405    192.646   32.221    254.874   28.638    37.546  3.2355  43.388  2.4745  -5.842186      4.073281 
1 1 1 -21 1   23 o 63.314  2.0726  541.915   34.972    555.911   52.428    530.695   46.941    64.016  3.0576  62.612  2.7990  1.404057       4.145287 
1 1 1 -21 1   24 o 44.884  2.0755  279.465   24.240    244.289   36.904    306.158   32.148    42.248  3.2871  47.520  2.5349  -5.271164      4.150994 
1 1 1 -21 1   25 o 29.881  2.1482  122.756   16.570    121.577   26.210    123.542   21.387    29.680  3.3560  30.081  2.6825  -0.4011555     4.296356 
1 1 1 -21 1   26 o 67.516  2.1529  616.958   38.710    654.331   58.560    587.953   51.589    69.280  3.1557  65.752  2.9293  3.527718       4.305743 
1 1 1 -21 1   27 o 48.269  2.0776  313.333   26.432    353.239   41.329    285.715   34.382    50.796  3.0518  45.741  2.8201  5.055630       4.155287 
1 1 1 -21 1   28 o 41.769  2.2410  247.138   23.965    207.557   37.216    275.179   31.324    38.632  3.6395  44.907  2.6156  -6.274879      4.481900 
1 1 1 -21 1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 1   30 o 17.079  3.0327  41.808    13.387    45.940    22.646    39.589    16.597    17.632  4.7070  16.526  3.8252  1.105944       6.065354 
1 1 1 -21 1   31 o 42.754  2.2156  251.905   24.704    266.138   39.386    242.672   31.720    43.606  3.3989  41.902  2.8431  1.704075       4.431224 
1 1 1 -21 1   32 o 29.958  2.3558  119.926   18.048    160.479   30.063    97.076    22.566    33.723  3.3736  26.192  3.2891  7.530214       4.711653 
1 1 1 -21 1   33 o 14.838  3.0980  27.016    12.881    51.936    23.313    16.065    15.454    18.455  4.7027  11.220  4.0342  7.234929       6.195969 
1 1 1 -21 1   34 o 21.687  3.0273  72.314    16.072    64.461    27.552    76.365    19.787    20.306  5.0788  23.069  3.2960  -2.763395      6.054551 
1 1 1 -21 1   35 o 36.999  2.4699  196.330   23.181    197.764   38.490    195.513   29.039    36.741  3.9744  37.257  2.9336  -0.5159988     4.939873 
1 1 1 -21 1   36 o 27.392  2.9322  111.739   19.468    112.058   33.895    111.581   23.782    26.894  4.8854  27.891  3.2441  -0.9969635     5.864361 
1 1 1 -21 1   37 o 23.989  5.6215  94.762    35.490    94.762    35.490    0.0000    0.0000    23.989  5.6215  ?       ?       ?              ?        
1 1 1 -21 1   38 o 13.891  3.4549  23.566    15.193    47.112    27.888    13.629    18.118    16.861  5.4319  10.921  4.2708  5.940190       6.909768 
1 1 1 -21 1   39 o 19.707  3.5505  63.734    17.780    67.766    32.325    61.985    21.289    19.516  5.7766  19.898  4.1298  -0.3814507     7.101012 
1 1 1 -21 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 2   5  o 40.917  2.9702  249.003   28.796    149.617   44.098    322.881   38.020    32.889  5.1771  48.945  2.9133  -16.05653      5.940500 
1 1 1 -21 2   6  o 131.437 2.8868  2345.98   100.695   2020.65   144.361   2654.25   140.526   122.428 4.4023  140.445 3.7356  -18.01698      5.773652 
1 1 1 -21 2   7  o 144.578 3.0013  2819.43   116.116   2747.32   166.461   2887.76   162.053   142.752 4.3535  146.403 4.1325  -3.650986      6.002575 
1 1 1 -21 2   8  o 78.554  2.0112  828.248   42.210    837.284   62.075    820.476   57.568    78.945  2.9356  78.164  2.7497  0.7814178      4.022305 
1 1 1 -21 2   9  o 58.692  1.8414  464.802   28.707    442.822   42.884    482.649   38.642    57.417  2.7884  59.966  2.4058  -2.549145      3.682843 
1 1 1 -21 2   10 o 143.017 2.9826  2757.36   114.201   2808.39   164.549   2709.94   158.623   144.283 4.2579  141.751 4.1779  2.532333       5.965218 
1 1 1 -21 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 2   12 o 72.459  2.0103  701.663   38.859    796.628   57.219    620.371   52.940    76.989  2.7747  67.929  2.9096  9.060799       4.020579 
1 1 1 -21 2   13 o 52.287  1.8570  365.752   25.883    396.230   38.474    340.551   34.984    54.299  2.6454  50.275  2.6069  4.023724       3.714004 
1 1 1 -21 2   14 o 39.035  1.9787  214.919   19.557    151.866   28.969    267.719   26.509    33.420  3.2784  44.651  2.2165  -11.23155      3.957415 
1 1 1 -21 2   15 o 61.468  1.9649  509.576   32.222    492.573   47.258    524.347   44.048    60.493  2.9166  62.443  2.6336  -1.949780      3.929719 
1 1 1 -21 2   16 o 96.263  2.4042  1255.19   61.749    1173.91   89.332    1329.55   85.451    93.228  3.5774  99.298  3.2128  -6.069252      4.808353 
1 1 1 -21 2   17 o 76.106  2.1356  781.735   43.413    770.179   63.552    791.846   59.443    75.557  3.1402  76.655  2.8952  -1.097343      4.271205 
1 1 1 -21 2   18 o 57.650  1.9467  444.868   29.882    501.792   44.511    398.162   40.318    61.021  2.7233  54.279  2.7825  6.742161       3.893442 
1 1 1 -21 2   19 o 35.729  1.9157  173.270   17.999    172.058   27.474    174.181   23.823    35.585  2.9079  35.873  2.4949  -0.2876816     3.831499 
1 1 1 -21 2   20 o 47.349  2.5784  303.250   32.577    0.0000    0.0000    303.250   32.577    ?       ?       47.349  2.5784  ?              ?        
1 1 1 -21 2   21 o 22.040  2.2236  67.078    12.560    67.145    19.495    67.031    16.423    21.990  3.4211  22.090  2.8415  -0.1003227     4.447259 
1 1 1 -21 2   22 o 26.224  2.4140  103.066   15.027    64.499    23.130    131.237   19.768    21.351  4.1941  31.098  2.3916  -9.746613      4.828098 
1 1 1 -21 2   23 o 74.400  2.1691  747.215   43.069    798.407   64.328    705.625   57.982    76.676  3.1322  72.124  3.0014  4.551994       4.338109 
1 1 1 -21 2   24 o 82.655  2.3461  936.461   51.504    874.287   76.346    988.391   69.773    80.015  3.5622  85.294  3.0541  -5.279419      4.692227 
1 1 1 -21 2   25 o 49.626  2.0589  336.209   26.886    332.209   41.357    339.137   35.383    49.297  3.1486  49.956  2.6538  -0.6592598     4.117807 
1 1 1 -21 2   26 o 77.448  2.2318  809.287   46.038    917.393   69.568    725.051   61.409    81.994  3.1677  72.903  3.1448  9.090782       4.463633 
1 1 1 -21 2   27 o 65.122  2.1784  575.994   37.693    605.310   57.601    554.039   49.848    66.497  3.2340  63.746  2.9195  2.750549       4.356874 
1 1 1 -21 2   28 o 16.687  2.7719  43.918    12.623    20.890    20.450    58.092    16.044    12.977  4.6433  20.396  3.0287  -7.419127      5.543753 
1 1 1 -21 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 2   30 o 20.589  2.8620  60.189    14.707    66.327    24.709    56.821    18.303    21.241  4.4837  19.937  3.5580  1.304583       5.723906 
1 1 1 -21 2   31 o 31.569  2.3844  137.227   19.283    153.389   31.881    127.904   24.215    32.869  3.6847  30.269  3.0273  2.599604       4.768819 
1 1 1 -21 2   32 o 10.233  2.8974  7.9991    11.005    13.383    20.866    5.9249    12.952    11.609  4.5701  8.8567  3.5627  2.752209       5.794716 
1 1 1 -21 2   33 o 33.945  2.5180  167.184   21.361    156.648   35.474    173.179   26.756    32.708  4.1421  35.183  2.8642  -2.474945      5.035919 
1 1 1 -21 2   34 o 19.327  3.1766  53.685    15.214    67.645    27.470    47.509    18.272    20.816  4.9914  17.837  3.9304  2.978622       6.353131 
1 1 1 -21 2   35 o 29.413  2.9066  132.331   20.500    114.931   34.837    141.549   25.355    27.231  4.9590  31.595  3.0334  -4.364065      5.813176 
1 1 1 -21 2   36 f 15.237  3.6369  24.456    15.028    62.700    33.979    15.155    16.756    19.371  5.9636  11.102  4.1647  8.268830       7.273879 
1 1 1 -21 2   37 o 17.359  3.3690  52.130    16.953    26.935    30.327    63.583    20.446    14.150  5.5276  20.568  3.8530  -6.417738      6.738008 
1 1 1 -21 2   38 o 11.864  3.1941  18.385    14.641    -1.4372   27.471    26.249    17.303    10.616  4.7398  13.112  4.2828  -2.495748      6.388160 
1 1 1 -21 2   39 o 11.645  3.3361  16.147    15.627    10.872    28.244    18.474    18.760    11.696  5.0209  11.595  4.3941  0.1004009      6.672141 
1 1 1 -21 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 3   6  o 125.627 2.6909  2126.99   90.414    2054.68   129.940   2194.86   125.885   123.534 3.9271  127.720 3.6798  -4.186035      5.381704 
1 1 1 -21 3   7  o 46.953  1.7602  303.418   21.534    250.632   32.198    346.133   28.964    43.109  2.8038  50.797  2.1288  -7.688023      3.520325 
1 1 1 -21 3   8  o 41.737  1.6922  233.164   18.702    245.615   28.491    223.739   24.790    42.703  2.5019  40.771  2.2792  1.931896       3.384384 
1 1 1 -21 3   9  o 49.351  1.8037  330.179   23.506    307.266   35.301    348.430   31.506    47.748  2.7722  50.954  2.3085  -3.206146      3.607481 
1 1 1 -21 3   10 o 83.617  2.1321  937.580   47.689    987.342   69.643    893.647   65.437    85.699  3.0340  81.535  2.9963  4.163788       4.264161 
1 1 1 -21 3   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 3   12 o 122.698 2.6985  2028.54   88.648    2099.10   127.436   1962.38   123.395   124.765 3.8134  120.632 3.8190  4.132957       5.396904 
1 1 1 -21 3   13 o 68.710  2.0043  632.299   36.556    758.050   53.554    522.586   50.023    75.098  2.6624  62.322  2.9966  12.77514       4.008517 
1 1 1 -21 3   14 o 39.265  1.8990  212.231   19.450    177.962   28.795    240.984   26.376    36.239  2.9933  42.290  2.3376  -6.050476      3.797947 
1 1 1 -21 3   15 o 138.900 2.9976  2613.63   111.459   2590.33   159.982   2635.59   155.372   138.269 4.3197  139.531 4.1573  -1.262131      5.995268 
1 1 1 -21 3   16 o 61.494  1.9807  509.687   32.494    503.689   47.998    514.761   44.149    61.144  2.9308  61.844  2.6652  -0.7003441     3.961441 
1 1 1 -21 3   17 o 134.505 2.9477  2456.61   106.112   2438.91   152.850   2473.07   147.426   133.998 4.2587  135.012 4.0767  -1.014389      5.895454 
1 1 1 -21 3   18 o 56.966  1.9535  433.554   29.586    499.766   44.358    380.494   39.709    60.888  2.7199  53.044  2.8048  7.843536       3.907028 
1 1 1 -21 3   19 o 62.064  2.0564  523.107   33.873    499.853   50.349    542.333   45.782    60.723  3.1060  63.406  2.6958  -2.682682      4.112729 
1 1 1 -21 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 3   21 o 59.818  2.0221  481.465   32.247    510.553   48.482    458.385   43.185    61.411  2.9475  58.226  2.7690  3.185276       4.044127 
1 1 1 -21 3   22 o 95.120  2.4472  1231.15   62.176    1238.23   91.497    1225.07   84.750    95.318  3.5838  94.922  3.3334  0.3969040      4.894378 
1 1 1 -21 3   23 o 59.336  2.1015  480.148   32.994    464.733   49.828    492.184   44.029    58.381  3.1986  60.290  2.7265  -1.908657      4.202991 
1 1 1 -21 3   24 o 24.352  2.2768  81.953    14.098    82.570    22.651    81.562    18.013    24.336  3.5822  24.368  2.8114  -0.3199005E-01 4.553688 
1 1 1 -21 3   25 o 33.797  2.1382  156.581   18.744    156.904   29.654    156.366   24.190    33.744  3.3241  33.849  2.6902  -0.1051521     4.276311 
1 1 1 -21 3   26 o 38.565  2.1836  206.867   21.791    190.541   34.021    218.224   28.376    37.130  3.4607  40.000  2.6638  -2.870007      4.367157 
1 1 1 -21 3   27 o 38.132  2.3740  211.166   22.548    160.309   35.350    246.050   29.277    33.794  3.9819  42.470  2.5860  -8.676258      4.747917 
1 1 1 -21 3   28 o 29.003  2.4188  118.372   17.777    113.645   28.707    121.313   22.640    28.356  3.8815  29.650  2.8874  -1.294098      4.837652 
1 1 1 -21 3   29 o 29.928  3.8712  126.992   30.304    126.992   30.304    0.0000    0.0000    29.928  3.8712  ?       ?       ?              ?        
1 1 1 -21 3   30 o 15.194  3.1058  33.202    12.935    35.510    21.848    31.957    16.051    15.588  4.7791  14.800  3.9678  0.7886133      6.211589 
1 1 1 -21 3   31 o 7.0359  2.1281  -11.8337  9.2905    -50.4841  15.726    8.8884    11.515    4.9499  2.4982  9.1219  3.4459  -4.172002      4.256239 
1 1 1 -21 3   32 o 16.033  3.2158  38.045    13.916    40.488    23.995    36.807    17.081    16.339  5.0084  15.727  4.0350  0.6115294      6.431606 
1 1 1 -21 3   33 o 24.817  2.7858  84.245    17.105    112.836   30.154    70.682    20.770    27.609  4.2109  22.024  3.6485  5.585413       5.571626 
1 1 1 -21 3   34 o 42.833  2.5240  269.218   27.209    243.151   44.613    284.658   34.334    40.617  4.1594  45.048  2.8603  -4.431221      5.047994 
1 1 1 -21 3   35 o 9.4431  2.8918  0.8811    12.302    5.6532    22.910    -1.0521   14.582    10.766  4.5690  8.1204  3.5461  2.645385       5.783607 
1 1 1 -21 3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 3   37 o 14.652  3.3810  34.752    15.433    20.747    28.705    40.447    18.303    13.175  5.3023  16.130  4.1965  -2.955165      6.762013 
1 1 1 -21 3   38 o 22.239  3.4926  79.546    19.088    85.796    34.288    76.739    22.978    22.147  5.7348  22.331  3.9880  -0.1846962     6.985134 
1 1 1 -21 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 4   6  o 109.541 2.4371  1611.15   71.447    1691.20   103.463   1538.18   98.781    112.138 3.4446  106.944 3.4485  5.193985       4.874160 
1 1 1 -21 4   7  o 67.358  1.9044  608.342   34.245    620.045   50.740    598.552   46.409    67.946  2.7880  66.770  2.5949  1.175301       3.808795 
1 1 1 -21 4   8  o 50.356  1.8052  343.713   24.027    318.759   35.915    363.931   32.327    48.637  2.7684  52.075  2.3177  -3.438507      3.610461 
1 1 1 -21 4   9  f 11.246  2.0699  15.823    6.6314    28.046    10.464    7.6199    8.5724    14.196  2.8510  8.2949  3.0016  5.901490       4.139757 
1 1 1 -21 4   10 o 122.343 2.7078  2017.92   88.677    1996.57   127.294   2038.05   123.603   121.698 3.9051  122.987 3.7521  -1.288750      5.415579 
1 1 1 -21 4   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 4   12 o 131.252 2.8518  2325.53   100.225   2338.59   143.797   2313.20   139.766   131.598 4.0795  130.906 3.9861  0.6920013      5.703679 
1 1 1 -21 4   13 o 16.073  2.2936  36.407    9.4455    33.223    14.360    38.835    12.540    15.393  3.5548  16.754  2.8994  -1.360654      4.587258 
1 1 1 -21 4   14 o 69.113  2.0316  641.554   37.537    663.258   55.147    622.816   51.240    70.193  2.9332  68.034  2.8119  2.159500       4.063243 
1 1 1 -21 4   15 o 87.001  2.2384  1017.41   52.084    1083.95   76.136    958.888   71.407    89.666  3.1701  84.336  3.1611  5.329376       4.476825 
1 1 1 -21 4   16 f 29.448  1.9364  118.598   14.894    112.095   22.579    123.607   19.816    28.684  2.9825  30.212  2.4704  -1.527740      3.872743 
1 1 1 -21 4   17 o 9.8311  2.4115  10.438    7.8176    17.356    12.359    5.8239    10.093    11.409  3.6098  8.2533  3.1986  3.155699       4.823061 
1 1 1 -21 4   18 o 84.533  2.2187  959.202   49.930    1121.40   73.758    822.002   67.838    91.111  3.0224  77.954  3.2490  13.15726       4.437396 
1 1 1 -21 4   19 o 62.129  2.0931  527.532   34.354    480.203   51.125    566.498   46.388    59.466  3.2218  64.791  2.6730  -5.324726      4.186285 
1 1 1 -21 4   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 4   21 o 21.390  2.6014  76.028    13.345    25.271    20.557    112.997   17.544    13.921  4.6726  28.859  2.2884  -14.93746      5.202874 
1 1 1 -21 4   22 o 26.451  2.1526  96.186    14.664    95.941    23.097    96.351    18.979    26.353  3.3478  26.549  2.7068  -0.1966209     4.305144 
1 1 1 -21 4   23 o 46.140  2.0538  290.862   24.890    284.348   38.318    295.616   32.736    45.621  3.1552  46.659  2.6301  -1.037994      4.107656 
1 1 1 -21 4   24 o 10.893  2.6209  15.274    9.3908    6.9326    15.715    19.907    11.712    9.8436  3.9367  11.942  3.4609  -2.098355      5.241723 
1 1 1 -21 4   25 o 5.9770  1.9871  -10.8159  7.7968    -15.9444  13.421    -8.2031   9.5792    6.2760  2.9757  5.6781  2.6343  0.5979366      3.974174 
1 1 1 -21 4   26 f 31.069  2.2254  132.889   17.769    134.789   28.638    131.699   22.658    31.145  3.4931  30.993  2.7582  0.1515350      4.450783 
1 1 1 -21 4   27 o 11.890  2.8695  16.258    10.658    26.482    18.257    10.972    13.127    13.806  4.3894  9.9747  3.6970  3.831459       5.738937 
1 1 1 -21 4   28 o 13.081  5.0159  18.280    24.628    0.0000    0.0000    18.280    24.628    ?       ?       13.081  5.0159  ?              ?        
1 1 1 -21 4   29 o 27.229  2.5589  104.173   17.518    107.807   29.062    102.099   21.954    27.410  4.0832  27.049  3.0855  0.3611469      5.117851 
1 1 1 -21 4   30 o 15.959  3.0243  33.685    13.099    54.976    22.215    22.338    16.218    19.253  4.4035  12.666  4.1467  6.586525       6.048680 
1 1 1 -21 4   31 o 26.570  2.9833  114.175   18.422    71.110    30.164    139.793   23.265    21.443  5.2856  31.697  2.7680  -10.25443      5.966550 
1 1 1 -21 4   32 o 43.763  2.3131  265.400   26.250    294.620   42.900    247.910   33.189    45.456  3.5517  42.070  2.9643  3.386021       4.626179 
1 1 1 -21 4   33 o 26.803  3.0243  113.645   19.000    87.850    32.551    126.976   23.400    23.607  5.2802  29.998  2.9505  -6.390963      6.048625 
1 1 1 -21 4   34 o 27.529  2.8798  112.806   19.294    110.826   33.196    113.817   23.709    26.841  4.7933  28.216  3.1933  -1.375423      5.759559 
1 1 1 -21 4   35 o 15.346  3.1883  38.886    15.014    15.452    26.814    49.588    18.120    12.502  5.0910  18.190  3.8398  -5.688181      6.376686 
1 1 1 -21 4   36 o 28.152  5.1478  126.402   37.387    126.402   37.387    0.0000    0.0000    28.152  5.1478  ?       ?       ?              ?        
1 1 1 -21 4   37 o 14.384  3.4507  26.625    15.111    51.340    27.815    16.277    17.999    17.465  5.3988  11.303  4.2990  6.161338       6.901353 
1 1 1 -21 4   38 o 35.052  2.8720  184.909   24.818    204.145   43.723    175.765   30.145    35.606  4.6993  34.497  3.3028  1.109287       5.743907 
1 1 1 -21 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 5   6  o 158.959 3.2607  3411.12   138.754   3396.18   199.354   3425.16   193.243   158.599 4.6928  159.318 4.5284  -0.7195740     6.521464 
1 1 1 -21 5   7  o 71.627  1.9707  685.975   37.719    750.351   55.450    630.534   51.458    74.741  2.7698  68.512  2.8041  6.229286       3.941462 
1 1 1 -21 5   8  o 69.483  1.9663  647.214   36.549    676.505   53.347    621.302   50.175    70.960  2.8068  68.007  2.7545  2.952751       3.932626 
1 1 1 -21 5   9  o 96.740  2.3350  1259.55   60.450    1251.04   87.170    1267.43   83.902    96.415  3.3755  97.065  3.2272  -0.6497269     4.669944 
1 1 1 -21 5   10 o 82.980  2.1652  925.109   48.079    948.595   69.800    903.904   66.322    83.976  3.1032  81.983  3.0203  1.992554       4.330348 
1 1 1 -21 5   11 o 85.529  3.2345  1004.03   72.899    866.965   106.676   1124.12   99.851    79.815  5.0154  91.244  4.0857  -11.42860      6.468907 
1 1 1 -21 5   12 o 74.991  2.0875  754.385   41.864    798.982   61.327    715.466   57.289    77.058  2.9713  72.924  2.9330  4.134148       4.175045 
1 1 1 -21 5   13 o 106.431 2.4914  1524.63   70.928    1637.08   102.867   1422.73   97.929    110.172 3.4859  102.691 3.5603  7.481140       4.982722 
1 1 1 -21 5   14 o 99.696  2.4078  1338.64   64.230    1395.44   93.461    1287.81   88.418    101.691 3.4313  97.702  3.3787  3.989197       4.815537 
1 1 1 -21 5   15 o 28.974  1.9005  112.546   14.459    124.843   22.275    103.593   19.007    30.323  2.7732  27.625  2.5994  2.698650       3.800990 
1 1 1 -21 5   16 o 59.145  1.9919  472.424   31.326    468.499   46.693    475.636   42.243    58.863  2.9711  59.426  2.6539  -0.5629082     3.983830 
1 1 1 -21 5   17 f 48.395  1.9010  311.293   24.337    378.458   36.920    259.682   32.364    52.996  2.6009  43.795  2.7733  9.201080       3.802074 
1 1 1 -21 5   18 o 43.054  1.9639  252.656   22.267    240.777   33.663    261.896   29.690    42.102  3.0048  44.006  2.5295  -1.903580      3.927772 
1 1 1 -21 5   19 f 73.677  2.9291  734.175   57.804    0.0000    0.0000    734.175   57.804    ?       ?       73.677  2.9291  ?              ?        
1 1 1 -21 5   20 o 49.154  1.9635  321.883   25.496    388.239   39.018    272.438   33.682    53.519  2.7310  44.789  2.8220  8.730091       3.927077 
1 1 1 -21 5   21 o 30.075  2.1088  124.787   16.410    118.459   25.509    129.255   21.434    29.340  3.3034  30.810  2.6222  -1.469589      4.217614 
1 1 1 -21 5   22 o 44.190  2.0202  262.759   23.540    286.685   36.534    245.774   30.782    45.863  2.9904  42.517  2.7172  3.345634       4.040462 
1 1 1 -21 5   23 f 41.783  2.0108  232.326   22.089    277.401   34.695    201.604   28.644    45.114  2.8864  38.452  2.8004  6.661304       4.021603 
1 1 1 -21 5   24 f 50.254  2.0978  344.337   27.746    347.442   42.871    342.099   36.397    50.373  3.1939  50.134  2.7206  0.2395287      4.195599 
1 1 1 -21 5   25 o 27.081  2.4331  104.876   16.454    90.525    26.233    114.183   21.127    25.313  4.0023  28.850  2.7680  -3.537077      4.866224 
1 1 1 -21 5   26 o 26.407  2.5157  101.284   16.306    84.560    26.475    111.505   20.698    24.330  4.2154  28.485  2.7469  -4.155060      5.031411 
1 1 1 -21 5   27 o 25.368  2.4958  83.700    15.421    141.486   25.569    50.659    19.334    31.993  3.0195  18.742  3.9747  13.25163       4.991510 
1 1 1 -21 5   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 5   29 o 34.214  2.3753  162.088   20.917    173.339   34.086    155.293   26.491    35.004  3.6912  33.424  2.9906  1.580105       4.750654 
1 1 1 -21 5   30 o 21.733  2.9055  71.162    15.537    62.193    25.949    76.174    19.399    20.272  4.8450  23.193  3.2085  -2.921793      5.811054 
1 1 1 -21 5   31 o 44.436  2.3828  281.516   27.097    269.704   44.021    288.721   34.383    43.333  3.8323  45.539  2.8329  -2.205826      4.765652 
1 1 1 -21 5   32 o 9.8430  2.8102  6.7429    12.061    -9.1112   20.553    15.070    14.896    8.7807  3.9932  10.905  3.9551  -2.124589      5.620358 
1 1 1 -21 5   33 o 18.200  3.2178  46.076    14.866    68.544    26.837    36.129    17.856    20.969  4.8713  15.430  4.2055  5.538651       6.435499 
1 1 1 -21 5   34 o 31.631  2.6217  139.788   20.961    169.275   35.965    124.620   25.795    33.829  4.0498  29.434  3.3305  4.394991       5.243339 
1 1 1 -21 5   35 o 16.291  5.9989  41.485    34.457    0.0000    0.0000    41.485    34.457    ?       ?       16.291  5.9989  ?              ?        
1 1 1 -21 5   36 o 14.049  3.5461  29.212    16.116    30.294    28.798    28.719    19.446    14.387  5.4460  13.710  4.5433  0.6770773      7.092278 
1 1 1 -21 5   37 o 17.280  3.6424  50.763    17.626    46.501    31.925    52.631    21.140    16.413  5.8092  18.147  4.3957  -1.734039      7.284850 
1 1 1 -21 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 6   5  o 87.789  3.2738  1075.47   74.028    793.394   108.037   1325.12   101.638   76.382  5.3138  99.196  3.8254  -22.81480      6.547545 
1 1 1 -21 6   6  o 136.268 2.9406  2508.45   107.122   2393.98   153.932   2615.93   149.166   133.213 4.3141  139.323 3.9972  -6.110016      5.881274 
1 1 1 -21 6   7  o 129.470 2.8336  2263.82   98.083    2154.99   140.611   2366.96   136.884   126.403 4.1531  132.538 3.8559  -6.135239      5.667107 
1 1 1 -21 6   8  o 84.406  2.1754  957.659   49.124    965.524   71.360    950.575   67.725    84.727  3.1445  84.084  3.0071  0.6431656      4.350886 
1 1 1 -21 6   9  o 53.938  1.8798  391.629   27.006    388.839   39.865    393.996   36.715    53.717  2.7802  54.160  2.5309  -0.4431343     3.759665 
1 1 1 -21 6   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 6   11 o 55.790  1.8982  416.532   28.287    443.924   41.954    393.703   38.301    57.461  2.7259  54.119  2.6422  3.341293       3.796331 
1 1 1 -21 6   12 o 88.003  2.2411  1039.83   52.738    1120.52   77.026    968.613   72.359    91.209  3.1529  84.796  3.1859  6.412788       4.482231 
1 1 1 -21 6   13 f 87.946  2.2529  1038.48   52.962    1129.38   77.572    959.117   72.487    91.541  3.1637  84.351  3.2083  7.189369       4.505843 
1 1 1 -21 6   14 o 55.329  1.9831  415.887   29.036    386.651   43.216    439.945   39.203    53.475  3.0297  57.183  2.5595  -3.708492      3.966112 
1 1 1 -21 6   15 o 12.094  2.1705  21.269    8.5015    -1.2056   13.510    36.003    10.939    8.0396  3.4623  16.149  2.6186  -8.109731      4.341031 
1 1 1 -21 6   16 o 57.590  1.9982  448.057   30.576    446.553   45.780    449.268   41.082    57.441  2.9858  57.739  2.6564  -0.2974319     3.996444 
1 1 1 -21 6   17 o 32.948  1.9372  145.809   16.795    159.750   25.881    135.667   22.074    34.284  2.8440  31.612  2.6310  2.672476       3.874350 
1 1 1 -21 6   18 o 64.934  2.0856  569.986   36.071    572.057   53.965    568.313   48.496    65.007  3.0993  64.860  2.7916  0.1478195      4.171115 
1 1 1 -21 6   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 6   20 o 40.047  1.9998  217.671   21.075    221.604   32.413    214.790   27.738    40.316  3.0236  39.777  2.6181  0.5392418      3.999579 
1 1 1 -21 6   21 o 74.773  2.2275  758.240   44.378    775.531   66.561    744.403   59.544    75.488  3.2919  74.057  3.0018  1.430954       4.455084 
1 1 1 -21 6   22 o 95.313  2.4524  1233.74   62.420    1327.26   92.754    1156.33   84.389    98.573  3.5131  92.053  3.4226  6.520149       4.904713 
1 1 1 -21 6   23 o 23.993  2.3005  76.766    14.096    96.513    22.972    64.840    17.852    26.393  3.3232  21.593  3.1822  4.800501       4.601083 
1 1 1 -21 6   24 o 14.318  2.8039  29.740    10.997    24.631    18.345    32.606    13.740    13.500  4.4100  15.136  3.4639  -1.636082      5.607727 
1 1 1 -21 6   25 o 72.277  2.3042  718.301   44.110    698.796   67.035    733.195   58.578    71.276  3.5113  73.278  2.9845  -2.001907      4.608311 
1 1 1 -21 6   26 o 89.852  2.4727  1109.07   59.199    1162.98   89.149    1066.54   79.176    91.693  3.6299  88.011  3.3587  3.682518       4.945356 
1 1 1 -21 6   27 o 49.977  4.4291  355.429   58.675    0.0000    0.0000    355.429   58.675    ?       ?       49.977  4.4291  ?              ?        
1 1 1 -21 6   28 o 46.153  2.2015  285.516   26.563    352.797   42.781    243.302   33.886    50.409  3.1848  41.897  3.0403  8.512413       4.403052 
1 1 1 -21 6   29 f 15.408  2.9951  28.596    12.927    58.098    22.783    14.589    15.698    19.780  4.4124  11.036  4.0513  8.743800       5.990229 
1 1 1 -21 6   30 o 38.584  2.3071  201.781   22.969    244.550   38.296    177.752   28.705    41.549  3.4730  35.620  3.0378  5.929192       4.614102 
1 1 1 -21 6   31 o 20.252  3.0794  65.187    15.568    50.190    26.570    73.027    19.211    17.926  5.2178  22.578  3.2720  -4.651829      6.158860 
1 1 1 -21 6   32 o 14.118  3.2362  25.386    13.669    44.759    23.878    15.944    16.670    16.949  4.9502  11.287  4.1696  5.662793       6.472304 
1 1 1 -21 6   33 o 17.870  3.3450  48.173    15.437    54.808    27.515    45.125    18.648    18.491  5.2889  17.250  4.0969  1.240541       6.690092 
1 1 1 -21 6   34 f 9.4625  2.8198  3.3215    12.671    -18.1522  23.536    12.086    15.036    8.6460  4.0500  10.279  3.9245  -1.633004      5.639507 
1 1 1 -21 6   35 o 45.558  4.2251  312.407   50.971    312.407   50.971    0.0000    0.0000    45.558  4.2251  ?       ?       ?              ?        
1 1 1 -21 6   36 o 15.035  3.5628  32.931    15.552    47.367    29.528    27.389    18.295    16.722  5.6002  13.348  4.4061  3.374161       7.125697 
1 1 1 -21 6   37 o 17.657  3.6626  43.364    17.077    85.334    33.794    28.972    19.789    21.828  5.7134  13.486  4.5842  8.341714       7.325208 
1 1 1 -21 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 7   5  o 107.730 2.4908  1564.47   71.764    1500.23   102.895   1625.33   100.141   105.555 3.6394  109.905 3.4018  -4.350174      4.981672 
1 1 1 -21 7   6  o 113.870 2.6311  1751.31   80.028    1657.94   115.419   1837.76   111.059   110.909 3.8853  116.830 3.5490  -5.921341      5.262206 
1 1 1 -21 7   7  o 55.368  1.9090  414.007   28.078    396.521   41.567    428.681   38.079    54.238  2.8714  56.497  2.5163  -2.258698      3.818003 
1 1 1 -21 7   8  f 89.648  2.2810  1081.99   54.667    1075.03   79.683    1088.17   75.139    89.362  3.3291  89.935  3.1192  -0.5732193     4.562046 
1 1 1 -21 7   9  o 80.432  2.1865  873.180   46.911    835.536   68.620    906.211   64.276    78.779  3.2520  82.084  2.9235  -3.305550      4.372918 
1 1 1 -21 7   10 o 71.127  2.4967  694.104   45.751    729.059   58.417    638.652   73.577    73.609  2.9629  68.645  4.0192  4.964256       4.993307 
1 1 1 -21 7   11 o 99.168  2.4333  1327.15   64.505    1308.11   93.847    1344.21   88.808    98.470  3.5582  99.866  3.3201  -1.396629      4.866577 
1 1 1 -21 7   12 o 58.101  1.9905  456.958   30.693    436.149   45.593    474.206   41.508    56.826  3.0061  59.377  2.6099  -2.550465      3.981012 
1 1 1 -21 7   13 o 39.445  1.8496  207.174   19.284    241.976   29.374    180.814   25.564    42.327  2.6035  36.562  2.6279  5.764736       3.699252 
1 1 1 -21 7   14 f 91.970  2.3179  1138.58   56.998    1207.31   83.693    1079.12   77.838    94.544  3.3050  89.396  3.2508  5.148041       4.635777 
1 1 1 -21 7   15 o 90.801  2.3475  1114.09   56.955    1125.60   83.704    1104.16   77.721    91.209  3.4262  90.393  3.2101  0.8166809      4.695072 
1 1 1 -21 7   16 o 29.641  1.9551  118.461   15.181    126.863   23.526    112.465   19.873    30.515  2.9138  28.767  2.6075  1.748091       3.910139 
1 1 1 -21 7   17 o 60.080  2.0640  488.899   32.913    485.902   49.485    491.276   44.076    59.840  3.0980  60.319  2.7281  -0.4788094     4.127961 
1 1 1 -21 7   18 o 96.593  5.0030  1291.11   128.997   0.0000    0.0000    1291.11   128.997   ?       ?       96.593  5.0030  ?              ?        
1 1 1 -21 7   19 o 32.218  2.1433  146.182   17.606    120.675   27.064    164.894   23.180    29.582  3.4824  34.854  2.4996  -5.272511      4.286649 
1 1 1 -21 7   20 o 34.722  2.1100  166.792   18.931    154.487   29.617    175.294   24.617    33.530  3.3423  35.913  2.5762  -2.383244      4.219924 
1 1 1 -21 7   21 o 112.034 2.6963  1717.30   80.728    1758.26   118.778   1682.14   110.053   113.203 3.9173  110.865 3.7061  2.338554       5.392649 
1 1 1 -21 7   22 o 15.545  2.7100  35.404    11.021    29.326    18.309    38.858    13.801    14.475  4.3618  16.615  3.2174  -2.139967      5.420082 
1 1 1 -21 7   23 o 44.851  2.2301  284.689   25.568    234.522   39.717    320.192   33.412    41.180  3.6382  48.522  2.5801  -7.341766      4.460205 
1 1 1 -21 7   24 o 42.555  2.1031  240.949   23.446    293.420   37.362    206.863   30.114    46.263  3.0320  38.848  2.9153  7.414948       4.206172 
1 1 1 -21 7   25 o 75.153  2.3101  771.800   46.147    807.969   70.334    744.460   61.150    76.596  3.4283  73.711  3.0973  2.885170       4.620172 
1 1 1 -21 7   26 o 49.897  2.1966  340.689   28.695    358.198   45.457    329.090   36.998    50.836  3.3573  48.958  2.8335  1.877930       4.393207 
1 1 1 -21 7   27 o 47.344  3.5507  313.560   44.699    313.560   44.699    0.0000    0.0000    47.344  3.5507  ?       ?       ?              ?        
1 1 1 -21 7   28 o 31.040  2.4401  134.041   19.332    143.761   31.845    128.369   24.327    31.752  3.8211  30.327  3.0356  1.425070       4.880107 
1 1 1 -21 7   29 o 6.6322  2.1622  -9.0342   8.9406    -28.8539  17.092    -1.5685   10.490    6.3828  3.1084  6.8817  3.0063  -0.4989009     4.324409 
1 1 1 -21 7   30 o 20.603  3.0428  64.458    15.522    60.141    26.594    66.689    19.117    19.699  5.0243  21.507  3.4339  -1.808142      6.085640 
1 1 1 -21 7   31 o 27.206  2.7281  106.507   18.392    114.277   31.479    102.480   22.663    27.620  4.4029  26.793  3.2227  0.8278217      5.456278 
1 1 1 -21 7   32 o 22.297  3.2434  84.254    17.685    53.925    30.785    99.194    21.606    18.236  5.6868  26.359  3.1209  -8.122871      6.486856 
1 1 1 -21 7   33 o 18.817  3.4836  51.877    16.658    69.199    30.521    44.529    19.880    20.628  5.4443  17.006  4.3476  3.622408       6.967240 
1 1 1 -21 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 7   35 o 21.199  3.5071  71.592    18.700    76.819    32.578    69.024    22.838    21.245  5.6332  21.152  4.1792  0.9341812E-01  7.014209 
1 1 1 -21 7   36 o 28.145  3.2790  127.697   21.779    122.338   38.876    130.147   26.292    26.634  5.6258  29.655  3.3699  -3.020781      6.557919 
1 1 1 -21 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 8   4  o 75.571  2.0240  768.250   40.913    751.757   59.043    783.484   56.745    74.782  2.9477  76.360  2.7744  -1.577972      4.047971 
1 1 1 -21 8   5  o 28.239  1.7781  107.987   13.228    107.493   19.784    108.387   17.788    28.163  2.6540  28.315  2.3671  -0.1519737     3.556270 
1 1 1 -21 8   6  o 26.702  1.8621  97.662    12.928    90.608    19.659    103.037   17.160    25.801  2.8947  27.604  2.3431  -1.803085      3.724149 
1 1 1 -21 8   7  o 28.523  1.8668  110.806   13.889    106.813   21.312    113.754   18.312    28.039  2.8786  29.008  2.3777  -0.9689121     3.733570 
1 1 1 -21 8   8  o 97.466  2.3812  1277.04   62.079    1328.11   90.744    1232.11   85.113    99.286  3.4122  95.645  3.3223  3.640793       4.762483 
1 1 1 -21 8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 8   10 o 53.634  1.9950  393.077   28.135    348.071   42.064    429.511   37.847    50.741  3.1100  56.527  2.4997  -5.785404      3.990079 
1 1 1 -21 8   11 o 90.587  2.3335  1106.44   56.489    1110.76   82.815    1102.68   77.250    90.731  3.4077  90.442  3.1889  0.2888412      4.667082 
1 1 1 -21 8   12 o 33.614  1.8616  151.264   16.507    167.291   25.260    139.318   21.808    35.150  2.7038  32.078  2.5595  3.071724       3.723102 
1 1 1 -21 8   13 o 86.962  2.2461  1014.38   52.117    1146.31   76.957    902.605   70.834    92.165  3.1174  81.759  3.2346  10.40562       4.492272 
1 1 1 -21 8   14 o 19.784  2.1396  52.085    10.705    72.621    16.843    38.168    13.866    23.044  2.7854  16.525  3.2486  6.518932       4.279190 
1 1 1 -21 8   15 o 90.672  2.3443  1109.77   56.806    1159.11   83.798    1067.81   77.269    92.512  3.3818  88.833  3.2474  3.679504       4.688542 
1 1 1 -21 8   16 f 114.087 2.6911  1769.34   82.098    1797.94   120.009   1744.18   112.557   114.909 3.8992  113.266 3.7101  1.642723       5.382218 
1 1 1 -21 8   17 o 86.421  2.3108  1008.84   53.332    1070.48   79.221    957.744   72.124    88.803  3.3306  84.039  3.2041  4.764366       4.621601 
1 1 1 -21 8   18 o 37.349  4.0728  193.090   40.083    193.090   40.083    0.0000    0.0000    37.349  4.0728  ?       ?       ?              ?        
1 1 1 -21 8   19 o 48.967  2.0251  324.039   26.189    340.243   40.309    312.203   34.450    49.980  3.0253  47.953  2.6930  2.026566       4.050269 
1 1 1 -21 8   20 o 14.623  2.6735  30.824    10.385    27.157    17.062    32.982    13.088    13.969  4.2110  15.278  3.2953  -1.309272      5.347053 
1 1 1 -21 8   21 o 48.822  2.1273  328.646   27.151    306.335   41.828    344.891   35.692    47.269  3.3249  50.375  2.6546  -3.106243      4.254673 
1 1 1 -21 8   22 o 71.624  2.2606  700.096   43.005    701.720   65.161    698.842   57.243    71.610  3.3972  71.638  2.9832  -0.2799225E-01 4.521168 
1 1 1 -21 8   23 o 59.387  2.1948  482.657   34.370    481.950   52.994    483.170   45.154    59.207  3.3555  59.567  2.8301  -0.3607521     4.389622 
1 1 1 -21 8   24 o 10.560  2.6258  13.049    10.112    -2.8139   17.206    21.418    12.498    8.7943  3.8458  12.325  3.5761  -3.530736      5.251531 
1 1 1 -21 8   25 o 30.209  2.2767  122.466   17.659    146.351   29.317    108.864   22.123    32.388  3.4317  28.030  2.9930  4.357887       4.553482 
1 1 1 -21 8   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 8   27 f 41.986  2.2659  242.750   24.777    260.669   39.722    231.338   31.700    43.104  3.4699  40.868  2.9150  2.235508       4.531804 
1 1 1 -21 8   28 o 16.435  3.0659  35.626    13.171    57.122    23.550    25.842    15.889    19.504  4.5852  13.366  4.0714  6.138497       6.131891 
1 1 1 -21 8   29 o 25.473  2.8600  98.040    17.749    84.344    29.333    105.951   22.294    23.558  4.8115  27.388  3.0933  -3.830276      5.720012 
1 1 1 -21 8   30 o 16.296  3.1764  41.104    13.918    36.326    24.474    43.387    16.921    15.499  5.0950  17.094  3.7947  -1.595017      6.352856 
1 1 1 -21 8   31 o 7.8235  2.4607  -4.8950   10.760    -29.5623  20.604    4.3564    12.618    7.2179  3.4908  8.4291  3.4692  -1.211206      4.921464 
1 1 1 -21 8   32 o 25.441  3.1696  104.580   18.997    81.324    32.959    116.149   23.246    22.352  5.5344  28.531  3.0913  -6.179489      6.339255 
1 1 1 -21 8   33 o 13.041  3.3536  21.862    13.964    30.502    26.346    18.487    16.467    14.428  5.2557  11.654  4.1670  2.773851       6.707220 
1 1 1 -21 8   34 o 12.591  3.2868  19.826    16.444    -5.0391   26.565    35.273    20.938    10.214  4.6025  14.969  4.6935  -4.755094      6.573608 
1 1 1 -21 8   35 f 17.172  3.6410  49.005    17.046    48.618    32.909    49.147    19.927    16.726  5.9003  17.618  4.2679  -0.8920078     7.282074 
1 1 1 -21 9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 9   2  o 111.940 4.2726  1797.37   118.405   1076.72   169.574   2483.01   165.404   88.352  7.2289  135.528 4.5565  -47.17613      8.545114 
1 1 1 -21 9   3  f 69.810  1.9384  654.277   36.202    667.831   52.709    642.175   49.808    70.489  2.7917  69.131  2.6899  1.358391       3.876753 
1 1 1 -21 9   4  o 122.492 2.7525  2027.54   90.139    1931.96   129.314   2117.88   125.713   119.646 4.0351  125.337 3.7447  -5.691467      5.504970 
1 1 1 -21 9   5  o 73.253  2.1413  727.539   41.670    659.755   61.025    786.755   57.037    70.006  3.2545  76.500  2.7836  -6.494774      4.282536 
1 1 1 -21 9   6  o 77.028  2.1944  800.959   45.040    771.852   66.472    825.668   61.243    75.708  3.2780  78.347  2.9184  -2.639473      4.388851 
1 1 1 -21 9   7  o 29.427  1.9016  115.627   14.658    128.944   22.887    106.366   19.087    30.838  2.8013  28.015  2.5723  2.823349       3.803203 
1 1 1 -21 9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 9   9  o 74.361  2.0243  744.330   40.316    732.563   56.989    756.120   57.043    73.770  2.8842  74.953  2.8414  -1.182365      4.048660 
1 1 1 -21 9   10 o 75.065  2.0350  758.949   40.895    728.811   57.679    789.416   57.992    73.559  2.9274  76.571  2.8276  -3.012009      4.070031 
1 1 1 -21 9   11 o 82.109  2.1365  909.141   46.957    867.359   66.191    951.474   66.625    80.199  3.0813  84.020  2.9605  -3.821068      4.273100 
1 1 1 -21 9   12 o 115.683 2.5833  1811.57   80.044    1817.62   112.982   1805.48   113.418   115.881 3.6401  115.484 3.6667  0.3964767      5.166669 
1 1 1 -21 9   13 o 82.414  2.1328  917.148   47.075    927.532   66.320    906.604   66.832    82.891  2.9871  81.937  3.0452  0.9532013      4.265683 
1 1 1 -21 9   14 o 79.210  2.0910  847.603   44.362    845.276   62.453    849.972   63.027    79.103  2.9476  79.318  2.9666  -0.2150192     4.182045 
1 1 1 -21 9   15 o 46.459  1.7999  291.960   22.310    288.358   31.288    295.685   31.822    46.168  2.5399  46.751  2.5509  -0.5826187     3.599744 
1 1 1 -21 9   16 o 85.636  2.2157  994.171   50.816    1005.00   71.564    983.162   72.169    86.117  3.1026  85.156  3.1641  0.9606018      4.431383 
1 1 1 -21 9   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 9   18 o 101.018 2.4364  1390.80   65.918    1403.78   92.959    1377.67   93.486    101.506 3.4191  100.531 3.4718  0.9752884      4.872770 
1 1 1 -21 9   19 o 70.646  2.0806  677.734   39.363    685.420   55.372    669.882   55.969    71.062  2.9091  70.230  2.9753  0.8315887      4.161179 
1 1 1 -21 9   20 o 53.047  1.9295  382.603   27.320    374.190   38.387    391.237   38.889    52.451  2.7419  53.644  2.7154  -1.192352      3.858962 
1 1 1 -21 9   21 o 10.884  2.4520  15.506    8.1302    11.608    11.008    20.184    12.060    9.7472  3.4145  12.022  3.5199  -2.274520      4.903955 
1 1 1 -21 9   22 o 62.491  2.5870  525.233   39.741    573.610   73.110    504.944   47.347    64.109  4.2822  60.873  2.9039  3.236404       5.174006 
1 1 1 -21 9   23 o 51.373  2.1414  354.512   28.908    407.062   45.883    319.922   37.226    54.418  3.1616  48.328  2.8890  6.089931       4.282757 
1 1 1 -21 9   24 o 52.127  2.1793  370.116   29.882    398.418   46.890    350.763   38.775    53.700  3.2757  50.555  2.8754  3.145279       4.358670 
1 1 1 -21 9   25 o 50.856  3.1714  357.061   34.250    390.352   76.655    348.757   38.284    51.362  5.6663  50.349  2.8505  1.013233       6.342894 
1 1 1 -21 9   26 o 48.408  2.2961  325.500   28.937    330.465   46.080    322.267   37.183    48.520  3.5708  48.296  2.8876  0.2241096      4.592232 
1 1 1 -21 9   27 o 20.967  2.9122  62.983    15.058    69.526    26.062    59.704    18.449    21.550  4.6516  20.385  3.5052  1.164373       5.824421 
1 1 1 -21 9   28 o 15.230  3.1914  34.200    13.395    35.090    23.532    33.773    16.292    15.375  4.9933  15.086  3.9758  0.2888079      6.382782 
1 1 1 -21 9   29 o 18.309  3.1925  50.293    15.008    53.971    25.562    48.359    18.540    18.604  5.0156  18.014  3.9512  0.5902824      6.385008 
1 1 1 -21 9   30 o 27.691  2.9002  117.454   19.286    101.125   32.596    126.249   23.923    25.545  4.9426  29.838  3.0356  -4.292353      5.800369 
1 1 1 -21 9   31 o 32.654  2.7598  155.860   22.039    159.287   38.628    154.206   26.835    32.383  4.5813  32.926  3.0786  -0.5428238     5.519577 
1 1 1 -21 9   32 o 22.893  3.2493  81.651    18.160    78.812    31.717    83.036    22.150    22.001  5.4182  23.786  3.5882  -1.785389      6.498610 
1 1 1 -21 9   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 9   34 o 22.828  3.3822  81.722    18.706    89.711    33.986    78.249    22.405    22.927  5.5858  22.730  3.8152  0.1970768      6.764421 
1 1 1 -21 9   35 o 13.054  3.5075  22.069    15.229    37.374    29.943    16.728    17.688    14.928  5.5736  11.181  4.2595  3.746798       7.014923 
1 1 1 -21 10  1  o 91.658  2.2183  1127.94   54.394    1190.62   79.271    1072.17   74.774    94.058  3.1465  89.259  3.1276  4.799034       4.436507 
1 1 1 -21 10  2  o 81.491  2.0259  892.917   44.216    879.666   62.145    906.503   62.924    80.878  2.8687  82.104  2.8613  -1.225349      4.051750 
1 1 1 -21 10  3  o 119.193 2.6092  1915.69   83.293    1883.24   117.010   1949.02   118.592   118.169 3.6969  120.218 3.6830  -2.049286      5.218335 
1 1 1 -21 10  4  o 59.055  1.8588  469.405   29.361    487.286   41.005    450.594   42.060    60.217  2.5423  57.892  2.7124  2.325161       3.717612 
1 1 1 -21 10  5  o 18.332  1.9498  46.756    9.1307    55.254    12.793    37.931    13.037    20.136  2.4204  16.528  3.0575  3.608606       3.899515 
1 1 1 -21 10  6  o 51.138  1.8597  352.654   25.376    373.060   35.698    331.809   36.080    52.682  2.5299  49.595  2.7266  3.086636       3.719453 
1 1 1 -21 10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 10  8  o 84.416  2.2159  960.720   50.080    994.226   70.857    927.278   70.790    85.896  3.0798  82.936  3.1867  2.960381       4.431715 
1 1 1 -21 10  9  o 100.745 2.4046  1370.35   64.885    1361.16   91.718    1379.56   91.804    100.405 3.4105  101.086 3.3906  -0.6811371     4.809121 
1 1 1 -21 10  10 o 13.693  2.1299  26.485    7.6105    30.184    10.531    22.441    11.011    14.732  2.7704  12.654  3.2359  2.078031       4.259827 
1 1 1 -21 10  11 o 88.094  2.2263  1047.98   52.530    1050.23   74.160    1045.72   74.419    88.190  3.1395  87.997  3.1574  0.1935043      4.452586 
1 1 1 -21 10  12 o 19.575  1.9246  52.694    9.8044    55.177    13.800    50.162    13.932    20.065  2.6311  19.084  2.8097  0.9810638      3.849242 
1 1 1 -21 10  13 o 76.826  2.1059  798.218   43.300    830.895   61.043    765.127   61.429    78.426  2.9059  75.226  3.0487  3.200508       4.211771 
1 1 1 -21 10  14 o 41.880  1.7869  237.378   19.948    232.647   27.948    242.292   28.480    41.453  2.5293  42.307  2.5248  -0.8542900     3.573773 
1 1 1 -21 10  15 o 91.286  2.2788  1130.49   55.707    1098.57   78.364    1163.11   79.205    89.972  3.2517  92.599  3.1934  -2.626999      4.557599 
1 1 1 -21 10  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 10  17 f 77.359  2.1406  812.804   44.337    829.514   62.276    795.631   63.136    78.184  2.9738  76.534  3.0799  1.649841       4.281270 
1 1 1 -21 10  18 o 61.683  1.9579  515.686   32.336    496.171   45.309    535.943   46.162    60.487  2.7966  62.880  2.7408  -2.393047      3.915781 
1 1 1 -21 10  19 o 13.775  2.4173  26.936    8.8786    27.465    12.504    26.397    12.609    13.911  3.3874  13.639  3.4494  0.2723312      4.834545 
1 1 1 -21 10  20 o 9.0839  2.3713  8.9998    7.6212    10.258    10.143    7.3683    11.550    9.2544  3.2744  8.9134  3.4308  0.3409748      4.742621 
1 1 1 -21 10  21 o 41.242  1.8979  231.997   20.839    221.680   29.127    242.816   29.827    40.290  2.7148  42.193  2.6528  -1.902782      3.795742 
1 1 1 -21 10  22 o 11.950  2.5839  19.756    9.1315    23.356    12.830    16.061    13.000    12.828  3.5915  11.073  3.7158  1.755316       5.167846 
1 1 1 -21 10  23 o 24.689  2.0835  84.352    13.434    74.145    18.520    95.689    19.517    23.059  3.0752  26.320  2.8120  -3.260891      4.167058 
1 1 1 -21 10  24 o 22.427  2.4016  73.274    13.210    103.482   18.878    44.295    18.490    27.408  2.6028  17.446  4.0370  9.962137       4.803281 
1 1 1 -21 10  25 o 7.6769  3.2439  1.2323    11.469    1.2323    11.469    0.0000    0.0000    7.6769  3.2439  ?       ?       ?              ?        
1 1 1 -21 10  26 o 13.237  2.5363  24.906    10.266    40.172    14.292    8.6352    14.755    16.709  3.3104  9.7650  3.8434  6.944258       5.072568 
1 1 1 -21 10  27 o 17.193  2.5914  44.090    11.691    58.653    16.463    29.275    16.605    20.293  3.1294  14.094  4.1314  6.199211       5.182871 
1 1 1 -21 10  28 o 36.249  2.0265  184.186   19.496    188.022   27.199    180.133   27.960    36.681  2.7893  35.817  2.9404  0.8640289      4.052951 
1 1 1 -21 10  29 o 33.239  3.3034  177.055   24.111    143.389   45.568    190.146   28.415    29.725  5.9313  36.754  2.9102  -7.029078      6.606789 
1 1 1 -21 10  30 o 54.710  2.5481  439.079   35.600    402.041   57.391    462.245   45.389    52.166  4.1414  57.253  2.9700  -5.086670      5.096295 
1 1 1 -21 10  31 o 24.624  3.2078  95.807    18.907    84.676    33.096    101.199   23.035    22.790  5.4875  26.459  3.3237  -3.668745      6.415631 
1 1 1 -21 10  32 f 17.844  6.2808  54.222    37.270    0.0000    0.0000    54.222    37.270    ?       ?       17.844  6.2808  ?              ?        
1 1 1 -21 10  33 f 19.307  3.3510  67.906    17.949    33.362    31.940    83.850    21.699    14.842  5.7072  23.773  3.5136  -8.930758      6.702054 
1 1 1 -21 10  34 o 10.986  3.1947  12.485    14.803    1.6923    27.376    16.945    17.598    10.729  4.7645  11.244  4.2571  -0.5159159     6.389337 
1 1 1 -21 11  1  o 111.289 2.4542  1669.82   73.153    1674.72   103.038   1664.83   103.875   111.458 3.4514  111.120 3.4900  0.3380127      4.908432 
1 1 1 -21 11  2  o 68.897  1.9113  638.477   35.263    646.307   49.517    630.421   50.228    69.330  2.6665  68.465  2.7390  0.8649216      3.822620 
1 1 1 -21 11  3  o 88.476  2.1788  1053.93   51.629    1040.01   72.416    1068.32   73.629    87.883  3.0764  89.069  3.0863  -1.186577      4.357653 
1 1 1 -21 11  4  o 51.746  1.8080  360.677   24.997    367.578   34.924    353.429   35.794    52.292  2.4934  51.200  2.6188  1.092270       3.616007 
1 1 1 -21 11  5  o 39.444  1.7818  209.939   18.706    197.322   26.161    223.140   26.759    38.220  2.5704  40.667  2.4683  -2.446777      3.563631 
1 1 1 -21 11  6  o 33.045  4.0459  149.950   35.062    149.950   35.062    0.0000    0.0000    33.045  4.0459  ?       ?       ?              ?        
1 1 1 -21 11  7  o 61.716  1.9907  513.209   32.884    535.104   46.467    491.243   46.542    63.043  2.7518  60.390  2.8774  2.653809       3.981397 
1 1 1 -21 11  8  o 147.331 3.1519  2950.67   124.374   2912.31   176.034   2988.90   175.748   146.359 4.4904  148.303 4.4244  -1.944214      6.303871 
1 1 1 -21 11  9  o 38.057  1.7707  195.814   17.947    199.640   25.371    191.983   25.391    38.435  2.4776  37.680  2.5305  0.7547798      3.541484 
1 1 1 -21 11  10 o 20.641  1.8838  58.344    10.171    57.554    14.290    59.156    14.480    20.497  2.6659  20.785  2.6621  -0.2882118     3.767532 
1 1 1 -21 11  11 o 52.833  1.8436  376.968   26.025    391.775   36.762    362.092   36.847    53.916  2.5456  51.750  2.6674  2.165863       3.687152 
1 1 1 -21 11  12 o 38.170  1.7743  197.287   18.038    198.667   25.432    195.890   25.589    38.308  2.4921  38.033  2.5263  0.2753372      3.548601 
1 1 1 -21 11  13 o 68.333  2.0042  631.511   36.668    649.944   51.761    612.942   51.951    69.345  2.7867  67.321  2.8811  2.024017       4.008305 
1 1 1 -21 11  14 o 42.156  1.8032  240.834   20.263    236.389   28.477    245.392   28.839    41.759  2.5583  42.553  2.5419  -0.7938538     3.606373 
1 1 1 -21 11  15 o 30.750  4.2925  132.231   34.390    0.0000    0.0000    132.231   34.390    ?       ?       30.750  4.2925  ?              ?        
1 1 1 -21 11  16 o 24.999  1.9334  86.352    12.593    96.860    17.510    75.092    18.125    26.655  2.4810  23.343  2.9659  3.312803       3.866720 
1 1 1 -21 11  17 o 44.938  1.8635  274.483   22.325    275.813   31.230    273.094   31.925    45.059  2.5986  44.817  2.6717  0.2414665      3.727020 
1 1 1 -21 11  18 f 52.034  1.8910  367.919   26.260    358.025   36.654    378.354   37.640    51.313  2.6761  52.755  2.6725  -1.441502      3.782071 
1 1 1 -21 11  19 o 52.943  1.9075  381.492   26.957    376.825   37.745    386.351   38.513    52.615  2.6872  53.271  2.7080  -0.6560135     3.815064 
1 1 1 -21 11  20 o 38.103  1.9059  198.619   19.294    205.431   26.872    191.371   27.718    38.807  2.6003  37.399  2.7871  1.408436       3.811730 
1 1 1 -21 11  21 f 49.901  1.9446  340.175   25.879    326.375   36.196    354.605   37.014    48.853  2.7777  50.949  2.7221  -2.095764      3.889143 
1 1 1 -21 11  22 o 38.327  1.9419  201.619   19.794    202.860   27.627    200.311   28.374    38.465  2.6986  38.190  2.7932  0.2752342      3.883868 
1 1 1 -21 11  23 o 67.289  2.1260  622.718   38.310    628.617   53.803    616.652   54.562    67.634  2.9700  66.945  3.0429  0.6890945      4.252070 
1 1 1 -21 11  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 11  25 o 27.320  2.1285  104.502   15.309    104.190   21.296    104.835   22.023    27.297  2.9602  27.344  3.0594  -0.4700470E-01 4.257032 
1 1 1 -21 11  26 o 27.491  2.1374  106.241   15.472    104.043   21.492    108.604   22.291    27.203  2.9996  27.779  3.0458  -0.5762253     4.274897 
1 1 1 -21 11  27 o 20.713  2.4064  61.586    12.843    56.957    17.303    67.264    19.164    19.846  3.3759  21.579  3.4304  -1.733458      4.812888 
1 1 1 -21 11  28 o 32.442  2.1048  148.371   18.055    137.623   24.952    160.184   26.158    31.175  3.0264  33.710  2.9262  -2.534548      4.209686 
1 1 1 -21 11  29 o 38.538  2.1212  210.773   21.649    223.438   30.166    197.324   31.086    39.844  2.8454  37.232  3.1466  2.611938       4.242336 
1 1 1 -21 11  30 o 11.828  2.8574  19.773    10.874    19.989    15.350    19.556    15.407    11.872  4.0375  11.785  4.0445  0.8665180E-01  5.714887 
1 1 1 -21 11  31 o 25.244  2.4345  93.282    15.903    80.915    22.273    106.144   22.714    23.364  3.6809  27.123  3.1873  -3.758913      4.869084 
1 1 1 -21 11  32 o 11.387  2.6211  16.095    11.039    32.894    14.894    -4.3835   16.444    14.662  3.7711  8.1118  3.6412  6.550149       5.242109 
1 1 1 -21 11  33 o 10.717  3.1807  9.8251    14.525    6.6272    26.944    11.135    17.245    11.167  4.8490  10.267  4.1177  0.8994417      6.361481 
1 1 1 -21 12  1  o 78.276  2.0129  824.910   42.196    838.197   59.480    811.448   59.871    78.915  2.8140  77.637  2.8791  1.278404       4.025886 
1 1 1 -21 12  2  o 108.629 2.4677  1592.87   71.794    1602.33   100.956   1583.19   102.117   108.963 3.4591  108.295 3.5204  0.6677017      4.935487 
1 1 1 -21 12  3  o 59.606  1.8409  477.813   29.386    467.927   41.161    488.090   41.967    58.977  2.6056  60.235  2.6012  -1.257687      3.681772 
1 1 1 -21 12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 12  5  o 26.694  1.8002  96.750    12.711    97.455    17.796    96.016    18.162    26.799  2.5083  26.588  2.5829  0.2108135      3.600457 
1 1 1 -21 12  6  o 39.189  1.8026  207.524   18.814    201.312   26.433    213.902   26.784    38.589  2.5721  39.789  2.5263  -1.199917      3.605287 
1 1 1 -21 12  7  o 85.702  2.2567  991.919   51.798    1004.61   73.176    979.170   73.332    86.257  3.1673  85.147  3.2154  1.109917       4.513349 
1 1 1 -21 12  8  o 88.879  2.2613  1067.50   53.830    1081.61   76.192    1053.44   76.063    89.470  3.1793  88.288  3.2165  1.182030       4.522601 
1 1 1 -21 12  9  o 25.372  1.8445  87.677    12.354    88.937    17.431    86.405    17.513    25.561  2.5814  25.182  2.6354  0.3786926      3.689054 
1 1 1 -21 12  10 o 70.045  2.0503  663.035   38.446    637.381   54.313    688.798   54.429    68.676  2.9527  71.415  2.8455  -2.739265      4.100599 
1 1 1 -21 12  11 o 98.125  2.4065  1306.54   63.250    1306.84   89.479    1306.24   89.419    98.136  3.4041  98.114  3.4026  0.2184296E-01  4.813074 
1 1 1 -21 12  12 o 42.535  1.8261  245.209   20.700    237.481   29.186    253.031   29.364    41.852  2.6167  43.219  2.5479  -1.366844      3.652265 
1 1 1 -21 12  13 o 71.516  2.0608  692.947   39.472    703.756   55.750    682.081   55.893    72.083  2.8875  70.949  2.9412  1.133698       4.121687 
1 1 1 -21 12  14 o 30.834  4.3181  133.136   34.685    0.0000    0.0000    133.136   34.685    ?       ?       30.834  4.3181  ?              ?        
1 1 1 -21 12  15 o 43.675  1.8803  259.287   21.888    262.702   30.844    255.823   31.067    43.972  2.6309  43.377  2.6871  0.5949516      3.760612 
1 1 1 -21 12  16 o 25.409  1.9439  88.694    12.933    77.528    18.110    100.314   18.475    23.720  2.9116  27.098  2.5763  -3.377886      3.887765 
1 1 1 -21 12  17 o 45.207  1.8723  278.374   22.544    292.229   31.759    264.303   32.005    46.367  2.5672  44.047  2.7262  2.320107       3.744681 
1 1 1 -21 12  18 o 90.480  2.3257  1119.63   56.346    1083.93   79.311    1156.01   80.064    89.002  3.3269  91.958  3.2506  -2.955925      4.651321 
1 1 1 -21 12  19 o 30.678  1.9474  129.791   15.714    144.086   21.987    114.868   22.465    32.479  2.5479  28.877  2.9457  3.601772       3.894742 
1 1 1 -21 12  20 o 54.945  1.9734  412.375   28.984    416.386   40.704    408.248   41.282    55.265  2.7498  54.624  2.8312  0.6402893      3.946784 
1 1 1 -21 12  21 o 76.788  2.1853  809.887   44.936    818.589   63.088    800.926   64.020    77.231  3.0498  76.344  3.1308  0.8874435      4.370689 
1 1 1 -21 12  22 o 36.337  1.9583  181.614   18.902    175.662   26.106    188.171   27.403    35.716  2.7501  36.958  2.7888  -1.242535      3.916672 
1 1 1 -21 12  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 12  24 o 23.418  2.2350  77.688    13.596    84.117    19.062    71.030    19.398    24.493  2.9661  22.343  3.3441  2.149740       4.470020 
1 1 1 -21 12  25 o 6.2789  2.0330  -7.2456   7.7909    -3.0824   10.201    -13.0731  12.069    6.5440  2.9072  6.0139  2.8426  0.5301294      4.066005 
1 1 1 -21 12  26 o 6.6495  2.1410  -6.6866   8.3546    -8.8054   11.272    -4.1041   12.445    6.1673  2.8599  7.1318  3.1868  -0.9645052     4.281917 
1 1 1 -21 12  27 o 17.728  2.6133  46.760    11.992    50.023    16.559    43.161    17.391    18.486  3.4718  16.970  3.9069  1.515453       5.226531 
1 1 1 -21 12  28 o 22.870  2.3521  75.356    13.928    66.901    19.048    85.071    20.418    21.421  3.4360  24.320  3.2132  -2.898531      4.704280 
1 1 1 -21 12  29 o 15.045  2.7098  32.585    11.611    17.051    15.504    52.423    17.520    11.285  4.0425  18.805  3.6097  -7.519112      5.419574 
1 1 1 -21 12  30 o 28.159  2.3353  114.784   17.249    107.076   24.082    122.904   24.718    27.125  3.3885  29.194  3.2144  -2.069006      4.670563 
1 1 1 -21 12  31 o 17.202  4.1043  45.902    18.647    45.902    18.647    0.0000    0.0000    17.202  4.1043  ?       ?       ?              ?        
1 1 1 -21 12  32 o 10.057  2.8137  9.7227    11.468    2.9374    15.581    17.744    16.941    8.7559  3.7433  11.359  4.2020  -2.602842      5.627482 
1 1 1 -21 13  1  o 42.492  1.7052  243.679   19.309    230.852   27.203    256.704   27.413    41.354  2.4672  43.630  2.3544  -2.276493      3.410327 
1 1 1 -21 13  2  f 122.133 5.6658  2045.63   185.347   0.0000    0.0000    2045.63   185.347   ?       ?       122.133 5.6658  ?              ?        
1 1 1 -21 13  3  o 62.280  2.6864  522.368   44.814    522.368   44.814    0.0000    0.0000    62.280  2.6864  ?       ?       ?              ?        
1 1 1 -21 13  4  o 18.547  1.9869  47.430    9.5350    43.161    13.393    51.818    13.578    17.660  2.9344  19.434  2.6797  -1.774023      3.973810 
1 1 1 -21 13  5  o 68.346  2.0365  629.834   37.267    607.005   52.293    653.395   53.125    67.082  2.9103  69.609  2.8493  -2.526520      4.072927 
1 1 1 -21 13  6  o 52.965  1.8988  378.568   26.883    366.971   37.770    390.473   38.271    52.104  2.7158  53.825  2.6546  -1.721935      3.797695 
1 1 1 -21 13  7  o 46.966  1.8855  298.648   23.595    313.315   33.273    283.812   33.464    48.144  2.5898  45.788  2.7411  2.355686       3.771053 
1 1 1 -21 13  8  o 16.550  2.1720  38.506    9.2151    47.406    13.113    29.823    12.952    18.551  2.7199  14.549  3.3870  4.001344       4.343946 
1 1 1 -21 13  9  o 66.652  2.0204  600.452   36.070    598.368   51.025    602.533   50.996    66.535  2.8632  66.769  2.8515  -0.2336578     4.040875 
1 1 1 -21 13  10 o 95.653  2.3875  1242.47   61.170    1241.58   86.603    1243.36   86.411    95.617  3.3815  95.689  3.3714  -0.7228088E-01 4.775071 
1 1 1 -21 13  11 o 103.867 2.5027  1468.93   69.626    1458.28   98.510    1479.55   98.423    103.484 3.5540  104.250 3.5248  -0.7660904     5.005486 
1 1 1 -21 13  12 o 35.554  1.8456  171.899   17.441    178.980   24.687    164.842   24.644    36.300  2.5554  34.808  2.6635  1.492077       3.691122 
1 1 1 -21 13  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 13  14 o 22.808  2.0509  72.353    12.030    86.167    17.031    58.596    16.996    25.102  2.5692  20.513  3.1975  4.588493       4.101821 
1 1 1 -21 13  15 o 73.417  2.1426  733.779   42.112    758.686   59.470    708.728   59.642    74.689  2.9727  72.145  3.0864  2.543945       4.285205 
1 1 1 -21 13  16 o 54.857  1.9288  409.240   28.284    419.083   39.948    399.346   40.051    55.565  2.6842  54.149  2.7707  1.415375       3.857664 
1 1 1 -21 13  17 o 91.517  2.3300  1146.42   57.097    1109.53   80.462    1183.84   81.036    90.009  3.3375  93.026  3.2523  -3.017105      4.660044 
1 1 1 -21 13  18 o 11.794  2.4972  19.099    8.7866    12.454    12.491    25.607    12.362    10.186  3.6307  13.402  3.4296  -3.215483      4.994357 
1 1 1 -21 13  19 o 28.940  1.9718  115.356   15.085    118.638   21.199    111.990   21.471    29.379  2.7250  28.502  2.8508  0.8767891      3.943634 
1 1 1 -21 13  20 o 34.130  1.9298  159.874   17.480    153.215   24.174    167.171   25.306    33.382  2.7275  34.877  2.7307  -1.495125      3.859514 
1 1 1 -21 13  21 f 23.517  2.1535  77.318    13.194    69.697    18.441    85.313    18.887    22.267  3.1824  24.766  2.9021  -2.499241      4.307017 
1 1 1 -21 13  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 13  23 o 25.337  2.1945  90.431    14.563    92.770    20.321    87.960    20.882    25.715  3.0070  24.959  3.1971  0.7566509      4.389060 
1 1 1 -21 13  24 o 9.8131  2.5723  11.065    9.1260    14.499    12.107    6.5456    13.888    10.453  3.5854  9.1732  3.6894  1.279799       5.144623 
1 1 1 -21 13  25 f 16.407  2.5540  41.166    11.553    63.111    16.157    18.206    16.527    21.086  2.9408  11.729  4.1766  9.357576       5.108091 
1 1 1 -21 13  26 o 10.352  2.4418  10.354    9.5957    27.331    13.536    -6.7959   13.605    13.564  3.6469  7.1408  3.2480  6.423279       4.883576 
1 1 1 -21 13  27 o 21.925  2.4565  71.348    13.679    80.769    18.561    60.149    20.236    23.798  2.9770  20.052  3.9083  3.746611       4.912934 
1 1 1 -21 13  28 o 26.625  2.2769  101.914   15.829    90.482    21.936    114.332   22.863    24.969  3.3658  28.282  3.0672  -3.313444      4.553728 
1 1 1 -21 13  29 o 13.276  2.9974  26.492    12.036    24.788    16.796    28.292    17.257    12.907  4.2197  13.646  4.2581  -0.7396059     5.994826 
1 1 1 -21 13  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 13  31 o 9.9625  2.7045  8.7356    11.063    -3.8782   15.564    21.615    15.727    7.8958  3.5434  12.029  4.0868  -4.133428      5.409057 
1 1 1 -21 14  1  o 54.007  2.5202  392.748   36.456    392.748   36.456    0.0000    0.0000    54.007  2.5202  ?       ?       ?              ?        
1 1 1 -21 14  2  o 46.331  1.7651  289.862   21.812    277.913   30.662    302.103   31.035    45.356  2.5341  47.306  2.4578  -1.950325      3.530204 
1 1 1 -21 14  3  o 84.926  2.1774  974.252   49.527    969.391   69.523    979.260   70.571    84.715  3.0639  85.138  3.0947  -0.4228058     4.354851 
1 1 1 -21 14  4  o 55.082  1.8702  408.910   27.578    390.420   38.626    428.138   39.388    53.808  2.6800  56.357  2.6093  -2.549313      3.740496 
1 1 1 -21 14  5  o 36.064  1.8065  176.119   17.327    168.169   24.254    184.406   24.762    35.223  2.5889  36.904  2.5201  -1.680977      3.612948 
1 1 1 -21 14  6  o 90.122  2.3237  1100.37   56.091    1088.41   79.053    1112.50   79.600    89.627  3.2930  90.618  3.2795  -0.9905548     4.647463 
1 1 1 -21 14  7  o 38.869  1.8625  204.919   19.249    191.891   27.063    218.259   27.385    37.599  2.7053  40.138  2.5605  -2.539005      3.724900 
1 1 1 -21 14  8  o 39.535  1.8468  212.095   19.423    200.033   27.397    224.285   27.541    38.386  2.6815  40.684  2.5401  -2.297943      3.693563 
1 1 1 -21 14  9  o 51.738  1.9143  362.652   26.451    344.684   37.331    380.767   37.483    50.400  2.7761  53.076  2.6366  -2.676521      3.828618 
1 1 1 -21 14  10 o 48.772  1.9156  323.197   24.857    290.124   35.095    356.487   35.210    46.191  2.8506  51.353  2.5598  -5.161903      3.831250 
1 1 1 -21 14  11 o 10.136  2.3053  13.053    7.4342    19.202    10.500    6.8714    10.527    11.703  3.2394  8.5684  3.2809  3.134850       4.610606 
1 1 1 -21 14  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 14  13 o 32.625  1.8800  145.214   16.285    143.986   23.026    146.444   23.035    32.483  2.6701  32.766  2.6473  -0.2829933     3.760053 
1 1 1 -21 14  14 o 63.650  2.0320  550.826   34.641    545.174   49.036    556.457   48.942    63.318  2.8914  63.982  2.8559  -0.6636810     4.063984 
1 1 1 -21 14  15 o 28.700  1.9421  112.978   14.726    119.714   20.887    106.321   20.764    29.578  2.6651  27.822  2.8255  1.755152       3.884120 
1 1 1 -21 14  16 o 61.819  2.0232  521.072   33.429    480.106   47.053    562.823   47.502    59.326  2.9611  64.311  2.7576  -4.985470      4.046331 
1 1 1 -21 14  17 o 46.330  1.9261  293.326   23.790    285.126   33.506    301.662   33.783    45.665  2.7523  46.995  2.6952  -1.329498      3.852112 
1 1 1 -21 14  18 o 56.508  2.0115  437.321   30.356    457.792   42.830    416.659   43.030    57.907  2.7614  55.109  2.9256  2.798836       4.022998 
1 1 1 -21 14  19 o 19.791  2.3518  56.448    11.787    70.543    16.546    41.925    16.796    22.541  2.8010  17.042  3.7786  5.498964       4.703548 
1 1 1 -21 14  20 o 44.634  1.9639  274.457   23.345    282.347   32.762    266.319   33.275    45.316  2.7116  43.951  2.8418  1.365444       3.927876 
1 1 1 -21 14  21 f 22.480  5.7580  78.294    34.823    0.0000    0.0000    78.294    34.823    ?       ?       22.480  5.7580  ?              ?        
1 1 1 -21 14  22 o 12.191  2.6210  19.777    10.191    32.844    14.552    7.2036    14.275    14.982  3.6581  9.3996  3.7546  5.582492       5.242013 
1 1 1 -21 14  23 o 23.641  2.2272  79.367    13.734    75.016    19.337    83.797    19.509    22.941  3.2370  24.341  3.0599  -1.400488      4.454323 
1 1 1 -21 14  24 o 23.674  2.2996  80.009    14.172    74.796    19.438    85.924    20.707    22.832  3.2719  24.516  3.2321  -1.683981      4.599162 
1 1 1 -21 14  25 o 17.927  2.6666  47.990    12.399    52.338    17.345    43.447    17.730    18.865  3.5632  16.988  3.9683  1.877081       5.333268 
1 1 1 -21 14  26 o 17.818  2.6341  47.876    12.176    56.531    16.981    38.716    17.469    19.689  3.3393  15.947  4.0747  3.741832       5.268214 
1 1 1 -21 14  27 o 29.785  2.2264  127.046   17.389    111.551   24.146    143.741   25.064    27.783  3.3099  31.787  2.9785  -4.004755      4.452774 
1 1 1 -21 14  28 o 11.975  2.8921  20.324    11.136    17.483    15.098    23.713    16.490    11.285  3.9949  12.666  4.1831  -1.380655      5.784234 
1 1 1 -21 14  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 14  30 o 11.313  2.7677  15.444    10.909    4.2407    14.388    30.592    16.730    8.6820  3.6491  13.944  4.1623  -5.262285      5.535393 
1 1 1 -21 15  1  o 26.444  1.8004  95.133    12.591    92.733    17.786    97.543    17.826    26.101  2.5778  26.786  2.5140  -0.6847649     3.600705 
1 1 1 -21 15  2  o 36.795  1.7637  183.415   17.267    190.786   24.392    176.011   24.446    37.548  2.4385  36.041  2.5488  1.507248       3.527417 
1 1 1 -21 15  3  o 39.139  1.7910  207.631   18.653    217.387   26.281    197.727   26.479    40.082  2.4598  38.195  2.6038  1.886669       3.581982 
1 1 1 -21 15  4  o 27.045  1.8390  99.815    13.076    87.480    18.352    112.536   18.636    25.302  2.7523  28.788  2.4398  -3.485960      3.677952 
1 1 1 -21 15  5  o 67.802  2.0351  621.903   36.913    581.413   51.795    663.692   52.619    65.543  2.9503  70.062  2.8040  -4.519836      4.070226 
1 1 1 -21 15  6  o 49.563  1.8906  332.862   25.001    323.393   35.064    342.653   35.655    48.840  2.6908  50.285  2.6567  -1.445087      3.781279 
1 1 1 -21 15  7  o 36.331  1.8721  179.496   18.054    165.612   25.383    193.712   25.684    34.882  2.7387  37.779  2.5532  -2.897232      3.744238 
1 1 1 -21 15  8  o 26.838  1.9172  98.490    13.584    102.203   19.216    94.782    19.204    27.360  2.6556  26.317  2.7658  1.043167       3.834325 
1 1 1 -21 15  9  o 35.308  1.8896  169.818   17.727    175.782   25.024    163.811   25.114    35.946  2.6171  34.671  2.7264  1.275551       3.779188 
1 1 1 -21 15  10 o 48.859  1.9297  324.669   25.142    313.842   35.529    335.530   35.584    48.028  2.7736  49.689  2.6836  -1.661316      3.859342 
1 1 1 -21 15  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 15  12 o 32.365  1.9253  143.333   16.499    133.254   23.344    153.394   23.322    31.194  2.8245  33.535  2.6171  -2.341352      3.850615 
1 1 1 -21 15  13 o 46.315  1.9270  292.446   23.790    283.684   33.661    301.192   33.629    45.606  2.7686  47.023  2.6811  -1.416935      3.854047 
1 1 1 -21 15  14 o 17.611  2.3763  43.830    10.798    41.340    15.165    46.391    15.378    17.074  3.4351  18.148  3.2845  -1.073839      4.752682 
1 1 1 -21 15  15 o 43.485  1.9171  258.419   22.207    249.761   31.415    267.066   31.397    42.739  2.7590  44.231  2.6625  -1.492146      3.834173 
1 1 1 -21 15  16 o 41.009  1.9359  230.249   21.131    220.492   29.680    240.277   30.090    40.110  2.7798  41.907  2.6950  -1.796642      3.871707 
1 1 1 -21 15  17 o 30.257  2.0015  126.414   15.976    114.879   22.503    138.136   22.685    28.813  2.9578  31.702  2.6972  -2.888844      4.002943 
1 1 1 -21 15  18 o 25.691  2.1104  91.928    14.233    95.590    19.984    88.159    20.276    26.247  2.8905  25.136  3.0758  1.110891       4.220841 
1 1 1 -21 15  19 o 30.009  2.0577  125.753   16.177    142.214   22.744    108.898   23.014    32.109  2.6687  27.910  3.1327  4.199114       4.115307 
1 1 1 -21 15  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 15  21 o 38.638  2.0257  207.805   20.801    215.908   29.390    199.673   29.443    39.428  2.8012  37.848  2.9271  1.580612       4.051489 
1 1 1 -21 15  22 o 23.845  2.2746  81.014    14.151    78.437    19.982    83.607    20.042    23.435  3.2727  24.256  3.1599  -0.8212299     4.549223 
1 1 1 -21 15  23 o 29.360  2.1434  121.993   16.596    128.569   23.634    115.595   23.310    30.183  2.9615  28.537  3.0994  1.645601       4.286815 
1 1 1 -21 15  24 o 17.006  2.7128  43.511    12.196    55.198    17.424    32.283    17.077    19.412  3.4789  14.600  4.1635  4.812490       5.425569 
1 1 1 -21 15  25 o 36.986  2.0991  193.735   20.569    177.122   28.668    211.361   29.530    35.279  3.0643  38.694  2.8697  -3.415295      4.198207 
1 1 1 -21 15  26 o 14.322  2.8987  30.876    11.721    25.920    15.867    36.829    17.390    13.147  4.0799  15.498  4.1189  -2.351121      5.797451 
1 1 1 -21 15  27 o 20.636  2.7593  67.223    14.436    89.426    19.818    42.124    21.070    24.944  3.0283  16.329  4.6136  8.615419       5.518678 
1 1 1 -21 15  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 15  29 o 18.396  2.8440  52.690    13.638    46.056    18.830    60.010    19.779    17.064  4.1579  19.728  3.8814  -2.663702      5.687993 
1 1 1 -21 16  1  o 80.775  2.1228  883.407   45.925    873.696   64.510    893.385   65.393    80.326  2.9983  81.224  3.0058  -0.8978500     4.245566 
1 1 1 -21 16  2  f 22.657  1.9019  70.327    11.317    70.231    16.037    70.421    15.972    22.640  2.6977  22.674  2.6818  -0.3406525E-01 3.803896 
1 1 1 -21 16  3  o 56.923  1.9076  439.299   28.985    463.139   40.718    414.809   41.269    58.546  2.5966  55.300  2.7953  3.245998       3.815188 
1 1 1 -21 16  4  o 25.195  1.8927  86.820    12.572    88.421    17.664    85.176    17.897    25.442  2.6300  24.948  2.7225  0.4937267      3.785409 
1 1 1 -21 16  5  f 66.939  2.0407  607.360   36.585    608.102   51.338    606.594   52.148    66.987  2.8613  66.890  2.9106  0.9676361E-01  4.081499 
1 1 1 -21 16  6  o 57.375  1.9865  446.067   30.524    436.164   42.800    456.319   43.546    56.725  2.8169  58.025  2.8018  -1.299492      3.973058 
1 1 1 -21 16  7  f 56.696  1.9806  436.428   30.005    416.300   42.142    457.122   42.730    55.321  2.8538  58.072  2.7471  -2.750313      3.961153 
1 1 1 -21 16  8  o 27.822  1.9374  106.036   14.174    93.536    19.806    119.159   20.293    26.093  2.8820  29.552  2.5899  -3.459068      3.874740 
1 1 1 -21 16  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 16  10 o 16.157  2.3720  37.208    9.9463    28.927    14.032    45.570    14.100    14.253  3.6575  18.062  3.0213  -3.808990      4.744006 
1 1 1 -21 16  11 o 39.031  1.9255  207.931   20.000    212.920   28.391    203.016   28.180    39.504  2.6993  38.558  2.7465  0.9462814      3.850925 
1 1 1 -21 16  12 o 46.543  1.9651  295.821   24.361    280.016   34.310    311.892   34.597    45.264  2.8444  47.823  2.7121  -2.558739      3.930120 
1 1 1 -21 16  13 o 25.166  2.0598  87.496    13.626    86.074    19.296    88.910    19.243    24.952  2.9439  25.381  2.8817  -0.4289722     4.119558 
1 1 1 -21 16  14 o 39.920  1.9417  218.275   20.604    204.095   28.973    232.783   29.307    38.577  2.8236  41.263  2.6659  -2.685978      3.883300 
1 1 1 -21 16  15 o 51.803  1.9785  367.653   27.350    366.013   38.552    369.315   38.806    51.688  2.7950  51.919  2.8009  -0.2307281     3.956920 
1 1 1 -21 16  16 o 19.612  2.3380  54.743    11.760    63.126    16.598    46.291    16.666    21.249  2.9997  17.976  3.5870  3.272654       4.675964 
1 1 1 -21 16  17 o 34.618  1.9743  165.392   18.141    158.653   25.511    172.286   25.803    33.884  2.8370  35.352  2.7466  -1.468166      3.948657 
1 1 1 -21 16  18 o 9.5320  2.4634  8.6942    8.8977    -1.0560   12.786    17.848    12.389    7.7157  3.3454  11.348  3.6168  -3.632622      4.926757 
1 1 1 -21 16  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 16  20 o 24.825  2.2024  87.202    14.309    89.919    20.096    84.408    20.380    25.257  3.0312  24.394  3.1960  0.8633003      4.404838 
1 1 1 -21 16  21 o 34.289  2.0423  164.863   18.575    168.710   26.168    160.956   26.371    34.721  2.8387  33.858  2.9370  0.8632202      4.084579 
1 1 1 -21 16  22 o 11.992  2.6311  19.917    9.9760    30.475    14.149    9.4806    14.068    14.312  3.6727  9.6721  3.7685  4.639812       5.262164 
1 1 1 -21 16  23 o 40.588  2.0765  232.800   22.399    241.270   31.473    224.105   31.886    41.396  2.8560  39.779  3.0150  1.616329       4.153006 
1 1 1 -21 16  24 o 41.521  2.1031  244.738   23.174    226.542   32.800    262.876   32.747    39.877  3.0951  43.165  2.8483  -3.288300      4.206255 
1 1 1 -21 16  25 o 8.3074  2.4948  1.6817    9.6884    5.5929    14.400    -1.5535   13.096    9.0065  3.7064  7.6084  3.3405  1.398159       4.989592 
1 1 1 -21 16  26 o 31.651  2.2345  144.504   18.640    134.350   26.379    154.630   26.344    30.440  3.2876  32.861  3.0270  -2.421196      4.468929 
1 1 1 -21 16  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 16  28 o 11.132  2.9146  16.610    11.513    13.567    15.497    20.358    17.200    10.419  3.9828  11.844  4.2563  -1.425446      5.829103 
1 1 1 -21 17  1  f 6.8039  1.9899  1.3593    6.0386    4.4034    8.0669    -2.5203   9.1070    7.3046  2.8516  6.3033  2.7761  1.001351       3.979757 
1 1 1 -21 17  2  o 30.029  1.8440  122.931   14.676    127.606   20.808    118.302   20.704    30.611  2.5614  29.448  2.6534  1.163157       3.687943 
1 1 1 -21 17  3  o 53.454  1.8901  387.337   27.009    376.215   37.851    398.875   38.552    52.634  2.6939  54.274  2.6520  -1.639690      3.780183 
1 1 1 -21 17  4  o 48.483  1.8933  319.260   24.459    297.931   34.164    341.689   35.034    46.802  2.7372  50.164  2.6165  -3.362045      3.786625 
1 1 1 -21 17  5  f 37.363  1.8899  190.363   18.767    197.321   26.305    183.150   26.784    38.081  2.5944  36.646  2.7488  1.435146       3.779760 
1 1 1 -21 17  6  o 13.756  2.4339  26.923    8.9503    28.321    12.393    25.399    12.940    14.127  3.3297  13.385  3.5508  0.7419434      4.867777 
1 1 1 -21 17  7  o 30.430  1.9384  126.724   15.627    127.765   21.978    125.660   22.225    30.564  2.7129  30.296  2.7695  0.2678452      3.876820 
1 1 1 -21 17  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 17  9  o 52.776  1.9882  379.944   27.991    365.034   39.378    395.173   39.796    51.712  2.8540  53.840  2.7690  -2.127884      3.976478 
1 1 1 -21 17  10 o 58.979  2.0339  473.982   32.129    468.757   45.443    479.205   45.430    58.648  2.8929  59.309  2.8598  -0.6616898     4.067793 
1 1 1 -21 17  11 o 33.796  1.9817  156.649   17.768    162.879   25.245    150.534   25.011    34.479  2.7567  33.113  2.8477  1.365753       3.963402 
1 1 1 -21 17  12 o 22.726  2.2173  72.554    12.984    61.854    18.510    82.919    18.217    20.955  3.4155  24.498  2.8283  -3.543285      4.434515 
1 1 1 -21 17  13 o 26.989  2.0928  100.920   14.866    103.955   20.834    97.772    21.218    27.431  2.8785  26.548  3.0387  0.8833809      4.185602 
1 1 1 -21 17  14 o 54.912  2.0260  413.859   29.693    387.995   41.885    439.989   42.100    53.108  2.9562  56.716  2.7713  -3.608524      4.052066 
1 1 1 -21 17  15 o 25.186  2.2941  90.660    14.369    60.893    20.053    122.070   20.599    20.596  3.7742  29.777  2.6091  -9.181080      4.588228 
1 1 1 -21 17  16 o 26.860  2.1398  100.822   15.043    89.446    21.085    112.614   21.468    25.238  3.1904  28.482  2.8525  -3.243967      4.279663 
1 1 1 -21 17  17 o 22.151  2.3314  69.631    13.405    67.078    18.840    72.249    19.077    21.714  3.3470  22.588  3.2464  -0.8740959     4.662809 
1 1 1 -21 17  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 17  19 o 27.273  2.2668  106.808   15.752    133.017   22.340    80.894    22.214    30.887  2.7283  23.658  3.6207  7.229706       4.533614 
1 1 1 -21 17  20 o 21.633  2.3914  67.648    13.374    62.520    18.855    72.841    18.974    20.728  3.5221  22.539  3.2358  -1.810637      4.782848 
1 1 1 -21 17  21 o 26.060  2.2497  97.164    15.371    94.048    21.481    100.435   22.005    25.617  3.2005  26.503  3.1624  -0.8857994     4.499352 
1 1 1 -21 17  22 o 40.280  2.0802  229.483   22.287    227.540   31.313    231.477   31.727    40.111  2.9350  40.448  2.9488  -0.3369598     4.160419 
1 1 1 -21 17  23 o 18.009  2.7262  49.020    12.772    42.522    17.991    55.622    18.135    16.673  4.0653  19.345  3.6334  -2.671507      5.452370 
1 1 1 -21 17  24 o 12.899  2.8171  23.991    11.231    13.862    15.512    35.153    16.283    10.633  4.0035  15.164  3.9644  -4.530558      5.634217 
1 1 1 -21 17  25 o 19.374  2.7721  58.596    14.039    33.298    19.701    84.693    20.010    14.593  4.5490  24.155  3.1693  -9.561677      5.544168 
1 1 1 -21 17  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 17  27 o 13.105  2.9805  26.846    11.909    29.615    17.009    24.183    16.679    13.670  4.2211  12.541  4.2089  1.129798       5.960963 
1 1 1 -21 18  1  o 20.256  2.1044  56.963    11.068    54.841    15.696    59.062    15.610    19.856  3.0487  20.655  2.9015  -0.7993221     4.208719 
1 1 1 -21 18  2  o 22.907  2.0850  73.989    12.052    54.177    17.123    93.436    16.965    19.652  3.3747  26.162  2.4495  -6.510105      4.169999 
1 1 1 -21 18  3  o 45.011  1.8832  275.784   22.602    272.495   31.742    279.166   32.190    44.739  2.6609  45.284  2.6657  -0.5447350     3.766446 
1 1 1 -21 18  4  o 31.287  1.9038  133.854   15.792    134.244   22.048    133.442   22.631    31.344  2.6510  31.230  2.7330  0.1138592      3.807554 
1 1 1 -21 18  5  o 42.039  1.9249  241.099   21.513    221.920   30.131    261.043   30.727    40.302  2.8088  43.776  2.6328  -3.474163      3.849787 
1 1 1 -21 18  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 18  7  o 41.290  1.9449  232.899   21.369    220.837   29.999    245.323   30.447    40.184  2.8047  42.396  2.6952  -2.211735      3.889810 
1 1 1 -21 18  8  f 63.694  2.0723  553.484   35.347    538.914   49.770    568.313   50.210    62.838  2.9571  64.550  2.9040  -1.712734      4.144588 
1 1 1 -21 18  9  o 15.375  2.4916  33.786    10.043    32.609    14.114    34.994    14.293    15.096  3.5501  15.653  3.4972  -0.5568209     4.983272 
1 1 1 -21 18  10 o 17.400  2.4635  43.111    11.079    43.133    15.539    43.087    15.800    17.412  3.4539  17.387  3.5136  0.2455902E-01  4.926954 
1 1 1 -21 18  11 o 9.3486  2.4730  9.2861    8.3735    10.907    11.630    7.5414    12.066    9.6598  3.4960  9.0373  3.4987  0.6224575      4.946023 
1 1 1 -21 18  12 o 16.238  2.5641  38.017    10.906    44.206    15.491    31.934    15.357    17.611  3.4073  14.864  3.8325  2.746255       5.128134 
1 1 1 -21 18  13 o 60.244  2.1069  499.648   33.938    508.672   48.131    490.724   47.863    60.833  2.9539  59.655  3.0051  1.178284       4.213782 
1 1 1 -21 18  14 o 8.6617  2.4229  5.2705    8.6021    10.744    12.023    -0.4695   12.312    9.6573  3.5455  7.6661  3.3034  1.991218       4.845888 
1 1 1 -21 18  15 o 24.221  2.4004  84.381    14.578    110.653   20.889    59.432    20.356    28.220  2.8005  20.222  3.8995  7.998220       4.800898 
1 1 1 -21 18  16 o 54.376  2.1210  411.345   30.758    397.641   43.474    425.080   43.523    53.432  3.0503  55.319  2.9479  -1.887482      4.242025 
1 1 1 -21 18  17 o 44.592  2.8888  277.080   34.319    277.080   34.319    0.0000    0.0000    44.592  2.8888  ?       ?       ?              ?        
1 1 1 -21 18  18 o 8.6096  2.4575  4.2404    9.0977    -2.6298   12.982    10.871    12.753    7.4936  3.3067  9.7256  3.6363  -2.232026      4.914948 
1 1 1 -21 18  19 o 11.045  2.6981  16.005    10.064    8.8983    14.480    22.645    13.998    9.6469  3.8041  12.443  3.8272  -2.796234      5.396167 
1 1 1 -21 18  20 o 23.636  2.4186  81.784    14.686    93.228    20.547    69.833    20.998    25.544  3.0644  21.729  3.7429  3.814169       4.837281 
1 1 1 -21 18  21 o 21.098  2.5394  65.864    13.796    71.713    19.423    59.907    19.600    22.175  3.3768  20.022  3.7936  2.152224       5.078762 
1 1 1 -21 18  22 o 14.189  2.9065  30.814    11.696    32.291    16.290    29.243    16.804    14.529  4.0398  13.849  4.1800  0.6801577      5.813065 
1 1 1 -21 18  23 o 18.905  2.8013  54.645    13.758    44.341    19.368    65.142    19.547    16.880  4.2781  20.930  3.6177  -4.049740      5.602671 
1 1 1 -21 18  24 o 7.4949  2.2637  -6.5210   9.3212    -24.3580  13.378    10.307    12.994    5.4819  2.6868  9.5078  3.6440  -4.025928      4.527452 
1 1 1 -21 18  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 18  26 f 7.8353  2.4415  -1.0789   10.007    -3.4467   14.553    1.0449    13.782    7.6435  3.4286  8.0272  3.4769  -0.3837366     4.883008 
1 1 1 -21 19  1  f 34.157  1.8735  159.580   16.974    170.157   23.999    148.992   24.010    35.321  2.5539  32.993  2.7418  2.328381       3.747006 
1 1 1 -21 19  2  o 12.797  2.3190  22.832    8.9133    37.847    12.494    7.2712    12.719    16.426  2.9482  9.1690  3.5803  7.256938       4.637978 
1 1 1 -21 19  3  o 35.580  2.2764  179.114   20.427    157.469   33.088    192.444   25.966    33.607  3.7392  37.554  2.5974  -3.946827      4.552788 
1 1 1 -21 19  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 19  5  o 57.032  1.9974  443.700   30.452    430.059   42.602    457.951   43.545    56.095  2.8448  57.970  2.8045  -1.874798      3.994701 
1 1 1 -21 19  6  o 36.547  1.9818  183.137   19.249    183.474   27.013    182.789   27.436    36.589  2.7771  36.505  2.8280  0.8411026E-01  3.963563 
1 1 1 -21 19  7  o 84.850  2.3462  989.873   53.252    925.753   74.792    1055.80   75.837    82.005  3.4051  87.696  3.2286  -5.690887      4.692369 
1 1 1 -21 19  8  o 21.600  2.2808  65.620    12.715    57.862    17.975    73.390    17.989    20.229  3.4406  22.970  2.9950  -2.741560      4.561586 
1 1 1 -21 19  9  o 26.846  2.1204  99.994    14.974    95.668    21.131    104.358   21.223    26.235  3.0649  27.456  2.9311  -1.220800      4.240867 
1 1 1 -21 19  10 o 29.748  2.0459  122.294   16.085    116.439   22.418    128.506   23.091    28.998  2.9263  30.498  2.8601  -1.500303      4.091858 
1 1 1 -21 19  11 o 27.535  2.1567  105.576   15.636    106.065   22.343    105.106   21.891    27.589  3.0759  27.480  3.0241  0.1089211      4.313462 
1 1 1 -21 19  12 o 42.814  2.0356  253.308   23.205    256.915   32.745    249.670   32.889    43.134  2.8503  42.494  2.9070  0.6405640      4.071252 
1 1 1 -21 19  13 o 30.188  2.1318  127.171   17.003    130.304   24.108    124.071   23.983    30.574  2.9818  29.802  3.0473  0.7722492      4.263500 
1 1 1 -21 19  14 o 11.270  2.6216  15.541    10.007    27.540    14.291    3.9993    14.016    13.733  3.7703  8.8066  3.6436  4.925962       5.243186 
1 1 1 -21 19  15 o 46.518  5.0238  323.786   61.602    0.0000    0.0000    323.786   61.602    ?       ?       46.518  5.0238  ?              ?        
1 1 1 -21 19  16 o 38.349  2.1164  206.492   21.555    211.460   30.297    201.399   30.674    38.854  2.9328  37.845  3.0520  1.008698       4.232710 
1 1 1 -21 19  17 o 23.912  2.4184  82.881    14.858    68.871    20.852    97.330    21.176    21.660  3.7288  26.164  3.0807  -4.504179      4.836764 
1 1 1 -21 19  18 o 12.818  2.8635  24.157    10.989    23.211    15.110    25.218    16.010    12.583  3.9926  13.054  4.1060  -0.4707155     5.727082 
1 1 1 -21 19  19 o 23.023  2.4858  77.634    14.820    72.317    20.767    83.151    21.155    22.145  3.6268  23.901  3.4004  -1.756268      4.971586 
1 1 1 -21 19  20 o 15.692  2.7093  37.357    11.782    22.372    16.430    53.220    16.905    12.398  4.1773  18.987  3.4512  -6.588337      5.418545 
1 1 1 -21 19  21 o 23.086  2.5214  79.116    14.977    69.776    21.381    88.113    20.985    21.549  3.8455  24.622  3.2622  -3.073769      5.042800 
1 1 1 -21 19  22 o 18.769  2.8295  53.850    13.793    58.836    19.873    49.215    19.160    19.678  3.9081  17.860  4.0928  1.818151       5.658980 
1 1 1 -21 19  23 o 22.404  2.6652  75.742    15.424    74.152    21.593    77.400    22.039    22.157  3.7737  22.652  3.7645  -0.4956665     5.330335 
1 1 1 -21 19  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 19  25 o 8.6767  2.5630  1.8930    10.490    -8.1749   14.328    13.522    15.400    7.0399  3.2504  10.314  3.9636  -3.273685      5.125921 
1 1 1 -21 20  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 20  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 20  3  o 29.722  2.0006  122.016   15.600    104.767   21.925    139.698   22.200    27.512  3.0254  31.931  2.6186  -4.419716      4.001251 
1 1 1 -21 20  4  o 85.940  2.3094  1015.09   53.139    975.038   74.495    1056.59   75.821    84.189  3.3036  87.691  3.2281  -3.502441      4.618889 
1 1 1 -21 20  5  o 11.386  2.6253  17.395    9.2678    14.318    13.193    20.393    13.022    10.688  3.7384  12.083  3.6870  -1.395399      5.250672 
1 1 1 -21 20  6  o 53.896  2.0581  399.070   29.590    406.746   41.615    391.220   42.082    54.443  2.8639  53.349  2.9566  1.094105       4.116201 
1 1 1 -21 20  7  o 31.381  2.0335  135.961   16.896    131.048   23.684    141.053   24.110    30.789  2.9063  31.972  2.8451  -1.183086      4.067095 
1 1 1 -21 20  8  o 17.108  2.5223  42.047    11.182    41.022    15.624    43.123    16.011    16.890  3.5655  17.326  3.5687  -0.4360104     5.044696 
1 1 1 -21 20  9  o 44.847  2.0382  277.536   24.328    262.029   34.190    293.440   34.625    43.542  2.9489  46.151  2.8145  -2.608841      4.076454 
1 1 1 -21 20  10 o 16.871  2.6050  41.245    11.439    39.544    15.933    43.055    16.434    16.502  3.6966  17.240  3.6714  -0.7379532     5.209985 
1 1 1 -21 20  11 o 14.507  2.7267  30.731    10.875    36.232    15.450    25.329    15.310    15.755  3.7206  13.260  3.9872  2.495194       5.453474 
1 1 1 -21 20  12 o 9.1853  2.3874  5.2522    8.9261    -8.2796   12.503    19.319    12.747    6.6735  3.0648  11.697  3.6613  -5.023628      4.774714 
1 1 1 -21 20  13 f 46.544  2.1189  302.514   26.276    303.834   37.207    301.201   37.113    46.648  2.9936  46.441  2.9996  0.2069778      4.237822 
1 1 1 -21 20  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 20  15 o 48.675  2.1401  333.545   27.749    344.110   39.162    322.892   39.325    49.497  2.9676  47.853  3.0845  1.644287       4.280280 
1 1 1 -21 20  16 o 18.455  2.7269  50.944    13.045    49.065    18.500    52.803    18.398    18.073  3.9334  18.838  3.7778  -0.7648087     5.453797 
1 1 1 -21 20  17 o 16.225  2.8829  40.355    12.668    48.499    17.840    32.071    17.992    17.966  3.8245  14.484  4.3149  3.482281       5.765851 
1 1 1 -21 20  18 o 12.385  2.8463  22.037    11.280    30.596    15.798    13.135    16.111    14.172  3.9917  10.599  4.0586  3.573240       5.692624 
1 1 1 -21 20  19 o 19.577  2.7430  57.915    13.870    63.683    19.908    52.474    19.336    20.620  3.7423  18.534  4.0114  2.086641       5.485973 
1 1 1 -21 20  20 o 7.5869  2.4018  -4.2217   10.103    -1.1797   14.017    -7.5110   14.576    7.8887  3.4599  7.2851  3.3322  0.6035571      4.803618 
1 1 1 -21 20  21 o 26.873  2.4794  106.837   17.324    117.446   24.505    96.235    24.496    28.373  3.2853  25.373  3.7144  2.999525       4.958824 
1 1 1 -21 20  22 o 13.210  3.0739  26.812    12.640    23.381    17.584    30.481    18.181    12.499  4.3191  13.920  4.3750  -1.420609      6.147792 
1 1 1 -21 20  23 o 10.759  4.2220  14.021    17.754    14.021    17.754    0.0000    0.0000    10.759  4.2220  ?       ?       ?              ?        
1 1 1 -21 20  24 f 23.835  2.7016  88.452    16.580    99.739    23.757    77.734    23.151    25.546  3.5695  22.124  4.0563  3.421680       5.403235 
1 1 1 -21 21  1  o 32.388  1.9738  144.599   16.906    156.738   23.962    132.568   23.855    33.790  2.6693  30.986  2.9083  2.803972       3.947608 
1 1 1 -21 21  2  o 46.170  1.9540  292.439   24.053    293.652   33.922    291.212   34.111    46.272  2.7494  46.068  2.7774  0.2042732      3.908075 
1 1 1 -21 21  3  o 36.185  1.9697  180.340   18.906    167.875   26.685    192.903   26.790    34.888  2.8814  37.482  2.6862  -2.594372      3.939322 
1 1 1 -21 21  4  o 31.211  2.0477  134.832   16.902    140.607   23.773    128.929   24.035    31.921  2.8090  30.500  2.9801  1.421131       4.095306 
1 1 1 -21 21  5  o 13.917  2.6303  28.116    10.207    35.047    14.162    20.626    14.723    15.605  3.4773  12.229  3.9475  3.375287       5.260651 
1 1 1 -21 21  6  o 17.464  2.5386  43.924    11.476    43.602    16.024    44.262    16.442    17.406  3.5570  17.522  3.6230  -0.1155491     5.077276 
1 1 1 -21 21  7  o 59.858  2.1239  494.964   33.983    480.061   47.721    510.298   48.406    58.889  3.0358  60.826  2.9711  -1.937202      4.247741 
1 1 1 -21 21  8  o 14.041  2.7286  28.723    10.580    29.114    14.815    28.315    15.113    14.134  3.8216  13.947  3.8957  0.1862717      5.457237 
1 1 1 -21 21  9  o 12.446  2.5912  20.838    10.261    35.222    14.515    6.4669    14.508    15.555  3.5607  9.3370  3.7654  6.217915       5.182342 
1 1 1 -21 21  10 o 14.913  2.7580  32.742    11.372    24.040    16.019    41.581    16.145    12.963  4.1106  16.862  3.6782  -3.899737      5.515992 
1 1 1 -21 21  11 o 28.726  2.2507  116.691   17.000    109.499   23.874    124.088   24.213    27.777  3.2717  29.675  3.0916  -1.898211      4.501315 
1 1 1 -21 21  12 o 33.897  5.5687  179.342   48.803    0.0000    0.0000    179.342   48.803    ?       ?       33.897  5.5687  ?              ?        
1 1 1 -21 21  13 o 54.919  2.1809  425.207   31.946    432.658   45.050    417.669   45.308    55.438  3.0455  54.400  3.1226  1.038673       4.361853 
1 1 1 -21 21  14 f 41.824  2.1529  247.798   23.934    257.770   33.811    237.783   33.886    42.724  2.9731  40.924  3.1147  1.799370       4.305885 
1 1 1 -21 21  15 o 29.532  2.3120  125.755   17.934    117.099   25.392    134.372   25.333    28.423  3.4030  30.641  3.1308  -2.218105      4.624074 
1 1 1 -21 21  16 o 16.431  2.9190  41.722    13.002    50.464    18.335    32.877    18.442    18.268  3.8675  14.594  4.3732  3.674335       5.838055 
1 1 1 -21 21  17 o 13.033  2.7108  23.282    11.855    43.602    16.720    2.7388    16.812    16.964  3.7769  9.1011  3.8895  7.862890       5.421527 
1 1 1 -21 21  18 o 5.9547  2.0091  -15.7842  8.8828    -20.4673  12.017    -10.1435  13.189    5.3160  2.5928  6.5934  3.0697  -1.277390      4.018134 
1 1 1 -21 21  19 o 18.954  2.8638  55.296    14.109    61.431    20.226    49.481    19.692    20.089  3.8995  17.820  4.1952  2.269421       5.727668 
1 1 1 -21 21  20 o 25.757  2.6658  100.196   17.585    81.992    24.590    119.249   25.157    23.038  4.1370  28.475  3.3634  -5.437372      5.331672 
1 1 1 -21 21  21 o 8.7088  3.7702  1.6568    16.190    0.0000    0.0000    1.6568    16.190    ?       ?       8.7088  3.7702  ?              ?        
1 1 1 -21 21  22 o 21.927  2.9181  76.939    16.397    91.190    22.950    62.076    23.437    24.465  3.6107  19.388  4.5851  5.077049       5.836133 
1 1 1 -21 22  1  o 19.029  2.5504  54.372    12.413    81.129    17.532    27.479    17.577    24.179  2.7564  13.879  4.2919  10.30061       5.100811 
1 1 1 -21 22  2  o 9.2601  2.5574  7.7421    9.1537    7.0281    12.435    8.5868    13.524    8.9875  3.5312  9.5326  3.7003  -0.5450525     5.114864 
1 1 1 -21 22  3  o 26.583  2.1846  99.174    15.161    110.473   21.423    87.839    21.458    28.197  2.8769  24.969  3.2885  3.227657       4.369276 
1 1 1 -21 22  4  o 39.002  2.0254  210.699   20.998    218.264   29.641    203.077   29.751    39.736  2.8029  38.269  2.9246  1.466835       4.050865 
1 1 1 -21 22  5  o 16.842  2.6369  41.279    11.650    32.223    16.159    51.083    16.813    14.825  3.9840  18.859  3.4557  -4.034733      5.273897 
1 1 1 -21 22  6  f 39.587  2.0660  217.893   21.748    219.156   30.531    216.593   30.987    39.720  2.8896  39.454  2.9536  0.2655067      4.131997 
1 1 1 -21 22  7  o 50.371  2.0963  352.979   28.130    333.137   39.369    373.675   40.208    48.884  3.0216  51.858  2.9064  -2.973614      4.192520 
1 1 1 -21 22  8  o 24.035  2.4215  83.207    14.899    99.475    21.186    67.293    20.955    26.575  3.0306  21.495  3.7775  5.079809       4.842917 
1 1 1 -21 22  9  o 27.570  2.2811  107.901   16.516    103.470   23.122    112.518   23.600    26.965  3.2681  28.174  3.1832  -1.208597      4.562157 
1 1 1 -21 22  10 o 15.419  4.0530  35.681    16.959    0.0000    0.0000    35.681    16.959    ?       ?       15.419  4.0530  ?              ?        
1 1 1 -21 22  11 o 19.680  3.8197  57.445    19.408    57.445    19.408    0.0000    0.0000    19.680  3.8197  ?       ?       ?              ?        
1 1 1 -21 22  12 o 51.706  2.1726  378.784   29.952    373.416   42.174    384.247   42.545    51.327  3.0820  52.085  3.0631  -0.7583466     4.345246 
1 1 1 -21 22  13 o 45.111  2.1794  289.768   26.166    280.906   36.904    298.728   37.107    44.378  3.1246  45.845  3.0391  -1.466248      4.358808 
1 1 1 -21 22  14 o 23.530  2.5742  81.889    15.683    87.277    22.524    76.818    21.849    24.341  3.5601  22.719  3.7191  1.621206       5.148372 
1 1 1 -21 22  15 o 16.351  2.9068  41.554    13.364    24.648    18.828    58.719    18.972    12.927  4.4691  19.775  3.7183  -6.847642      5.813651 
1 1 1 -21 22  16 o 16.676  2.8989  43.204    13.046    53.550    18.602    33.191    18.301    18.776  3.8288  14.576  4.3538  4.199154       5.797892 
1 1 1 -21 22  17 o 20.899  2.8412  66.841    15.320    71.949    21.962    61.998    21.382    21.761  3.9117  20.037  4.1216  1.723934       5.682308 
1 1 1 -21 22  18 o 8.4917  2.5642  2.0413    10.358    -1.1190   14.301    5.5293    15.024    7.9337  3.4869  9.0496  3.7605  -1.115928      5.128307 
1 1 1 -21 22  19 f 17.546  3.1306  49.458    14.791    42.531    20.619    56.802    21.229    16.177  4.5615  18.915  4.2890  -2.737671      6.261216 
1 1 1 -21 22  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 22  21 o 24.274  2.8705  94.299    17.752    110.827   24.862    77.108    25.356    26.957  3.5280  21.591  4.5290  5.366110       5.740918 
1 1 1 -21 23  1  o 21.493  2.3788  66.021    13.140    55.985    18.406    76.453    18.765    19.691  3.6233  23.296  3.0831  -3.604933      4.757509 
1 1 1 -21 23  2  o 36.078  2.0402  181.072   19.547    179.487   27.809    182.620   27.482    35.907  2.9167  36.250  2.8536  -0.3430977     4.080439 
1 1 1 -21 23  3  o 33.481  2.0805  156.516   18.461    152.223   26.102    160.813   26.115    32.998  2.9856  33.963  2.8984  -0.9648895     4.161065 
1 1 1 -21 23  4  o 18.887  2.5891  52.006    12.609    44.881    17.649    59.435    18.022    17.450  3.8766  20.323  3.4330  -2.872816      5.178226 
1 1 1 -21 23  5  o 11.777  2.7296  17.916    10.868    29.859    15.107    5.1057    15.647    14.218  3.8653  9.3361  3.8551  4.882332       5.459176 
1 1 1 -21 23  6  o 34.346  2.1723  166.109   19.771    163.778   27.727    168.521   28.200    34.101  3.0685  34.591  3.0758  -0.4896088     4.344658 
1 1 1 -21 23  7  o 14.933  2.6789  31.950    11.925    11.692    16.441    54.443    17.324    10.524  4.0813  19.343  3.4713  -8.819198      5.357866 
1 1 1 -21 23  8  o 16.093  2.9728  39.308    12.963    40.935    18.222    37.641    18.444    16.446  4.1397  15.740  4.2676  0.7059650      5.945514 
1 1 1 -21 23  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 23  10 o 16.058  2.8612  39.358    12.348    34.823    17.475    43.881    17.450    15.082  4.1806  17.034  3.9076  -1.952331      5.722484 
1 1 1 -21 23  11 o 39.896  2.2107  227.860   23.416    232.910   32.752    222.581   33.490    40.413  3.0481  39.379  3.2028  1.033978       4.421443 
1 1 1 -21 23  12 f 35.369  2.2757  180.740   21.270    191.745   29.906    169.475   30.259    36.571  3.0818  34.167  3.3494  2.403419       4.551478 
1 1 1 -21 23  13 o 42.303  2.2589  258.319   25.235    224.937   35.302    293.201   36.086    39.308  3.3859  45.297  2.9911  -5.988972      4.517866 
1 1 1 -21 23  14 o 20.253  2.8442  64.144    14.856    83.902    20.959    44.191    21.062    23.883  3.3700  16.624  4.5825  7.258717       5.688311 
1 1 1 -21 23  15 o 35.624  2.3144  184.711   21.836    183.630   30.727    185.813   31.037    35.524  3.2659  35.724  3.2803  -0.1994400     4.628825 
1 1 1 -21 23  16 o 27.847  2.5689  115.725   18.688    110.373   26.208    121.260   26.655    27.132  3.7031  28.563  3.5615  -1.431583      5.137806 
1 1 1 -21 23  17 o 15.046  2.9948  34.438    13.741    15.870    18.808    55.700    20.126    11.243  4.3638  18.850  4.1027  -7.606821      5.989552 
1 1 1 -21 23  18 o 13.147  3.1637  27.194    13.322    27.438    19.217    26.968    18.483    13.197  4.5174  13.098  4.4305  0.9974861E-01  6.327453 
1 1 1 -21 23  19 o 17.126  4.5929  49.210    21.502    49.210    21.502    0.0000    0.0000    17.126  4.5929  ?       ?       ?              ?        
1 1 1 -21 24  1  o 37.894  2.0900  201.499   20.962    220.943   29.711    182.225   29.580    39.809  2.8043  35.978  3.0998  3.831028       4.180039 
1 1 1 -21 24  2  f 40.840  2.0913  234.082   22.686    222.602   32.318    245.234   31.853    39.786  3.0561  41.894  2.8557  -2.107838      4.182680 
1 1 1 -21 24  3  o 34.617  2.1809  169.433   19.942    154.670   28.121    184.369   28.285    33.007  3.2218  36.226  2.9404  -3.218861      4.361859 
1 1 1 -21 24  4  o 14.692  2.7539  31.737    11.840    15.811    16.565    48.374    16.930    11.255  4.1567  18.129  3.6134  -6.874277      5.507743 
1 1 1 -21 24  5  o 34.356  2.1852  167.383   19.890    164.276   27.814    170.634   28.455    34.031  3.0850  34.681  3.0957  -0.6500168     4.370405 
1 1 1 -21 24  6  o 14.030  4.1785  29.713    16.875    0.0000    0.0000    29.713    16.875    ?       ?       14.030  4.1785  ?              ?        
1 1 1 -21 24  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 24  8  o 6.7791  2.1878  -7.5573   8.9644    -2.2370   12.599    -13.0117  12.757    7.3667  3.2538  6.1915  2.9254  1.175214       4.375504 
1 1 1 -21 24  9  o 20.147  2.7674  61.835    14.344    43.949    19.883    81.249    20.714    16.744  4.3822  23.550  3.3809  -6.805063      5.534837 
1 1 1 -21 24  10 o 7.0719  2.2763  -6.2764   9.4735    -5.8307   13.361    -6.7270   13.434    7.1126  3.2288  7.0312  3.2095  0.8143044E-01  4.552606 
1 1 1 -21 24  11 o 9.8472  2.7599  9.8121    10.905    12.809    15.162    6.6005    15.695    10.322  3.9409  9.3728  3.8647  0.9487925      5.519700 
1 1 1 -21 24  12 o 36.464  2.3508  194.373   22.455    163.415   31.329    227.077   32.200    33.221  3.5772  39.707  3.0510  -6.485962      4.701528 
1 1 1 -21 24  13 o 26.398  2.6314  105.854   17.669    125.615   24.672    85.044    25.318    29.361  3.1884  23.434  4.1872  5.927015       5.262887 
1 1 1 -21 24  14 o 33.803  2.4157  168.406   21.568    168.390   30.221    168.423   30.789    33.833  3.3801  33.773  3.4522  0.6058502E-01  4.831451 
1 1 1 -21 24  15 o 42.427  2.3684  265.033   26.668    277.234   37.734    252.857   37.696    43.504  3.2620  41.349  3.4347  2.154850       4.736875 
1 1 1 -21 24  16 o 15.643  3.1652  39.587    14.730    23.975    20.584    55.971    21.087    12.631  4.6388  18.654  4.3075  -6.023028      6.330302 
1 1 1 -21 24  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 24  18 o 27.779  3.8143  121.046   27.632    0.0000    0.0000    121.046   27.632    ?       ?       27.779  3.8143  ?              ?        
1 1 1 -21 25  1  o 10.954  2.8631  14.793    11.122    12.169    15.150    17.861    16.382    10.335  3.9409  11.574  4.1543  -1.239111      5.726163 
1 1 1 -21 25  2  o 27.799  2.3212  111.324   16.911    118.911   23.967    103.803   23.863    28.825  3.1559  26.774  3.4046  2.050844       4.642313 
1 1 1 -21 25  3  o 8.4377  2.5514  1.2081    10.213    -1.5525   13.704    4.6568    15.318    7.7919  3.4192  9.0836  3.7877  -1.291656      5.102743 
1 1 1 -21 25  4  f 35.744  5.5538  206.731   51.446    0.0000    0.0000    206.731   51.446    ?       ?       35.744  5.5538  ?              ?        
1 1 1 -21 25  5  o 22.214  3.6896  73.466    21.182    73.466    21.182    0.0000    0.0000    22.214  3.6896  ?       ?       ?              ?        
1 1 1 -21 25  6  o 11.047  2.9018  15.816    11.475    17.573    15.866    13.889    16.616    11.339  4.0865  10.754  4.1209  0.5855532      5.803528 
1 1 1 -21 25  7  o 17.147  2.8832  44.898    13.284    31.516    17.953    61.091    19.748    14.218  4.3271  20.077  3.8116  -5.859736      5.766452 
1 1 1 -21 25  8  o 26.111  2.5112  101.103   17.096    97.542    23.658    104.994   24.733    25.632  3.5404  26.590  3.5624  -0.9574757     5.022394 
1 1 1 -21 25  9  o 34.621  2.3574  175.437   21.575    167.599   30.255    183.547   30.776    33.780  3.3896  35.461  3.2773  -1.680882      4.714848 
1 1 1 -21 25  10 f 20.905  2.8524  67.605    15.387    70.430    21.616    64.704    21.908    21.443  3.9076  20.367  4.1565  1.075207       5.704876 
1 1 1 -21 25  11 o 15.574  3.0301  38.084    13.639    24.052    18.892    53.362    19.712    12.675  4.4706  18.474  4.0916  -5.798223      6.060301 
1 1 1 -21 25  12 o 9.9725  2.8475  9.6928    11.767    7.6569    16.435    11.834    16.855    9.6108  3.9578  10.334  4.0950  -0.7233562     5.695046 
1 1 1 -21 25  13 o 16.624  3.0420  43.729    14.894    20.967    20.539    68.976    21.631    12.182  4.6021  21.066  3.9795  -8.883970      6.084041 
1 1 1 -21 25  14 o 10.310  3.1191  6.5081    15.581    -29.3880  33.640    16.312    17.581    9.5416  4.5754  11.079  4.2404  -1.537833      6.238231 
1 1 1 -21 25  15 o 35.235  3.5114  187.916   32.697    0.0000    0.0000    187.916   32.697    ?       ?       35.235  3.5114  ?              ?        
1 1 1 -21 25  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 26  1  o 21.056  3.8324  66.874    20.817    0.0000    0.0000    66.874    20.817    ?       ?       21.056  3.8324  ?              ?        
1 1 1 -21 26  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 26  3  o 17.619  3.0020  48.583    14.028    43.308    19.462    54.285    20.236    16.555  4.3371  18.682  4.1518  -2.127256      6.003960 
1 1 1 -21 26  4  o 38.301  2.2430  212.809   22.771    200.624   32.132    225.102   32.275    37.107  3.2662  39.496  3.0751  -2.389114      4.486030 
1 1 1 -21 26  5  o 14.977  3.0241  35.802    13.413    47.873    18.437    22.232    19.549    17.540  4.0114  12.414  4.5264  5.126581       6.048138 
1 1 1 -21 26  6  o 18.495  3.0641  54.766    14.970    61.356    20.711    47.556    21.664    19.886  4.0263  17.104  4.6200  2.782673       6.128281 
1 1 1 -21 26  7  o 21.326  2.8329  70.968    15.506    79.160    21.422    61.951    22.474    22.925  3.6080  19.727  4.3684  3.197559       5.665753 
1 1 1 -21 26  8  o 7.9464  2.3854  -5.2850   10.167    12.455    14.270    -23.5736  14.489    10.049  3.8266  5.8435  2.8494  4.205802       4.770897 
1 1 1 -21 26  9  o 26.007  2.7214  103.399   18.208    88.278    25.522    119.071   25.983    23.782  4.1580  28.231  3.5121  -4.448664      5.442772 
1 1 1 -21 26  10 o 10.938  3.4174  -5.2860   14.754    33.581    36.456    -12.8992  16.135    14.758  5.9628  7.1191  3.3407  7.638604       6.834799 
1 1 1 -21 26  11 o 10.186  4.1022  11.021    17.194    0.0000    0.0000    11.021    17.194    ?       ?       10.186  4.1022  ?              ?        
1 1 1 -21 26  12 o 18.526  4.5037  56.607    22.131    0.0000    0.0000    56.607    22.131    ?       ?       18.526  4.5037  ?              ?        
1 1 1 -21 26  13 o 15.607  4.6479  41.403    20.879    0.0000    0.0000    41.403    20.879    ?       ?       15.607  4.6479  ?              ?        
1 1 1 -21 26  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 27  1  o 18.291  3.0081  53.136    14.456    53.470    20.194    52.784    20.703    18.391  4.1927  18.190  4.3145  0.2004776      6.016123 
1 1 1 -21 27  2  o 28.652  2.4397  122.229   18.335    118.322   25.921    126.142   25.938    28.136  3.5164  29.169  3.3827  -1.033041      4.879302 
1 1 1 -21 27  3  o 12.993  4.4699  26.147    18.823    0.0000    0.0000    26.147    18.823    ?       ?       12.993  4.4699  ?              ?        
1 1 1 -21 27  4  f 29.871  3.5413  133.768   27.782    0.0000    0.0000    133.768   27.782    ?       ?       29.871  3.5413  ?              ?        
1 1 1 -21 27  5  o 22.890  3.9034  80.922    23.073    0.0000    0.0000    80.922    23.073    ?       ?       22.890  3.9034  ?              ?        
1 1 1 -21 27  6  o 15.828  4.5051  41.017    20.014    0.0000    0.0000    41.017    20.014    ?       ?       15.828  4.5051  ?              ?        
1 1 1 -21 27  7  o 10.243  4.1431  10.918    17.622    0.0000    0.0000    10.918    17.622    ?       ?       10.243  4.1431  ?              ?        
1 1 1 -21 27  8  o 13.262  4.5356  27.974    19.372    0.0000    0.0000    27.974    19.372    ?       ?       13.262  4.5356  ?              ?        
1 1 1 -21 27  9  o 12.822  3.0249  16.404    14.474    51.325    22.690    -7.5569   18.795    17.437  4.7356  8.2074  3.7650  9.229783       6.049890 
1 1 1 -21 27  10 o 11.117  3.0490  16.562    12.965    15.045    17.883    18.244    18.824    10.811  4.2387  11.423  4.3840  -0.6119776     6.098042 
1 1 1 -21 27  11 o 11.551  3.1927  18.862    14.204    20.636    18.081    16.003    22.957    11.694  4.3381  11.408  4.6855  0.2860279      6.385376 
1 1 1 -21 27  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 28  1  o 35.301  3.3965  186.191   31.719    0.0000    0.0000    186.191   31.719    ?       ?       35.301  3.3965  ?              ?        
1 1 1 -21 28  2  o 14.270  3.0972  32.256    14.664    10.933    21.308    51.437    20.210    10.730  4.4703  17.810  4.2880  -7.079950      6.194358 
1 1 1 -21 28  3  o 21.148  3.1048  71.258    16.987    89.759    25.634    56.774    22.682    23.798  4.1736  18.497  4.5979  5.301332       6.209682 
1 1 1 -21 28  4  o 13.707  3.0450  29.867    13.700    44.542    18.686    12.808    20.146    16.595  4.2001  10.818  4.4100  5.777220       6.090053 
1 1 1 -21 28  5  o 20.329  2.9966  65.865    15.830    49.670    21.439    85.279    23.472    17.262  4.5664  23.397  3.8814  -6.135511      5.993116 
1 1 1 -21 28  6  o 16.372  3.6024  44.920    17.084    37.101    21.549    58.152    28.031    14.799  4.7755  17.945  5.3948  -3.145705      7.204770 
1 1 1 -21 28  7  o 15.455  4.6305  40.597    20.677    40.597    20.677    0.0000    0.0000    15.455  4.6305  ?       ?       ?              ?        
1 1 1 -21 28  8  o 9.7984  4.0813  8.8944    17.756    8.8944    17.756    0.0000    0.0000    9.7984  4.0813  ?       ?       ?              ?        
1 1 1 -21 28  9  o 12.619  4.4288  26.200    18.524    26.200    18.524    0.0000    0.0000    12.619  4.4288  ?       ?       ?              ?        
1 1 1 -21 28  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 29  1  o 26.792  3.6219  110.282   25.326    110.282   25.326    0.0000    0.0000    26.792  3.6219  ?       ?       ?              ?        
1 1 1 -21 29  2  f 6.5437  3.0656  -10.4019  13.494    -10.4019  13.494    0.0000    0.0000    6.5437  3.0656  ?       ?       ?              ?        
1 1 1 -21 29  3  o 8.9443  3.9195  1.8387    17.953    1.8387    17.953    0.0000    0.0000    8.9443  3.9195  ?       ?       ?              ?        
1 1 1 -21 29  4  o 17.284  3.9406  53.409    19.011    49.854    21.877    64.370    38.419    17.012  4.6626  17.557  6.3541  -0.5456734     7.881293 
1 1 1 -21 29  5  f 18.906  3.2578  60.561    16.516    46.963    22.302    77.074    24.578    16.329  4.7884  21.484  4.4187  -5.154625      6.515630 
1 1 1 -21 29  6  o 16.600  3.4002  49.036    15.997    45.234    22.069    53.247    23.222    15.927  4.7864  17.272  4.8306  -1.344604      6.800315 
1 1 1 -21 29  7  f 14.208  3.3174  36.388    15.253    44.948    20.455    25.666    22.893    15.955  4.5589  12.460  4.8206  3.495207       6.634868 
1 1 1 -21 29  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -21 30  1  o 9.7248  2.9255  7.8315    13.250    8.3110    17.492    7.1860    20.295    9.5859  4.0260  9.8638  4.2458  -0.2779818     5.851056 
1 1 1 -21 30  2  o 27.214  2.8003  119.422   19.674    104.580   27.408    135.199   28.258    25.156  4.2169  29.273  3.6857  -4.117098      5.600608 
1 1 1 -21 30  3  o 18.983  3.2150  63.461    17.045    37.804    23.531    91.783    24.723    14.328  4.9938  23.638  4.0505  -9.309948      6.429987 
1 1 1 -21 30  4  o 12.301  3.1682  24.014    15.137    39.789    20.344    4.4502    22.655    14.842  4.6219  9.7606  4.3345  5.081677       6.336428 
1 1 1 -21 30  5  o 21.623  4.8074  85.030    27.121    0.0000    0.0000    85.030    27.121    ?       ?       21.623  4.8074  ?              ?        
1 1 1 -21 31  1  o 10.720  3.0851  16.375    13.778    14.599    18.143    18.794    21.176    10.310  4.1919  11.131  4.5275  -0.8209009     6.170145 
1 1 1 -21 31  2  o 17.317  5.0123  58.839    24.580    0.0000    0.0000    58.839    24.580    ?       ?       17.317  5.0123  ?              ?        
1 1 1 -20 -26 13 o 17.982  3.3524  52.197    16.644    40.381    25.413    61.072    22.025    15.983  5.1888  19.981  4.2463  -3.997401      6.704854 
1 1 1 -20 -26 14 o 40.791  2.5222  240.984   27.053    279.893   39.172    205.501   37.408    44.144  3.3376  37.437  3.7824  6.707684       5.044417 
1 1 1 -20 -26 15 o 10.674  3.0771  9.9178    13.766    4.3198    22.608    13.216    17.353    10.515  4.5025  10.834  4.1954  -0.3191252     6.154156 
1 1 1 -20 -26 16 o 29.582  2.8211  129.466   21.716    142.989   31.877    117.754   29.666    31.087  3.9152  28.078  4.0627  3.008648       5.642143 
1 1 1 -20 -26 17 o 20.156  3.3772  62.892    17.948    76.881    27.158    52.044    23.915    22.189  4.7149  18.124  4.8365  4.065437       6.754440 
1 1 1 -20 -26 18 o 21.830  3.4849  74.724    19.964    92.340    29.629    60.075    27.019    24.360  4.7114  19.301  5.1362  5.058907       6.969749 
1 1 1 -20 -26 19 f 13.880  3.4540  28.404    16.501    16.735    25.642    36.654    21.559    12.443  5.0102  15.317  4.7560  -2.873507      6.908070 
1 1 1 -20 -26 20 o 12.681  3.2828  19.657    16.387    -4.3487   25.688    36.130    21.280    10.164  4.5575  15.197  4.7262  -5.033142      6.565622 
1 1 1 -20 -25 6  o 9.8757  2.6945  -1.7213   10.396    28.121    19.706    -13.2295  12.238    13.738  4.5746  6.0136  2.8484  7.724019       5.388942 
1 1 1 -20 -25 7  o 14.948  2.9771  35.597    14.200    8.7922    22.940    52.249    18.081    11.144  4.6401  18.752  3.7311  -7.608304      5.954102 
1 1 1 -20 -25 8  o 19.162  3.1711  55.088    16.102    73.426    24.442    41.029    21.402    22.037  4.2952  16.287  4.6664  5.749805       6.342228 
1 1 1 -20 -25 9  o 27.849  2.7930  116.110   19.726    93.986    28.798    135.667   27.076    24.920  4.4791  30.778  3.3378  -5.858097      5.585971 
1 1 1 -20 -25 10 f 37.374  2.4574  199.816   24.293    211.434   35.210    189.261   33.560    38.428  3.4578  36.321  3.4927  2.107666       4.914855 
1 1 1 -20 -25 11 o 23.736  2.9319  82.920    17.872    93.726    26.991    74.483    23.849    25.121  4.1567  22.351  4.1359  2.770084       5.863829 
1 1 1 -20 -25 12 o 43.732  2.3755  272.328   27.437    308.185   39.193    237.870   38.421    46.725  3.1500  40.739  3.5567  5.986141       4.751051 
1 1 1 -20 -25 13 o 36.290  2.4720  187.932   23.563    216.987   34.281    161.913   32.442    39.081  3.3059  33.498  3.6762  5.583675       4.944015 
1 1 1 -20 -25 14 o 8.2897  2.6155  -6.9329   12.445    -27.9636  21.214    4.1016    15.367    7.4932  3.6036  9.0862  3.7917  -1.592995      5.230941 
1 1 1 -20 -25 15 o 22.208  3.1577  73.527    18.187    106.669   27.277    47.002    24.403    27.016  3.8810  17.400  4.9821  9.615414       6.315332 
1 1 1 -20 -25 16 o 39.512  2.4847  223.406   26.018    220.766   36.912    226.013   36.680    39.254  3.5491  39.771  3.4783  -0.5173187     4.969404 
1 1 1 -20 -25 17 o 34.931  2.6756  176.927   24.214    213.931   34.931    142.702   33.594    38.730  3.4017  31.131  4.1309  7.599350       5.351256 
1 1 1 -20 -25 18 o 40.481  2.5325  235.087   27.165    243.173   39.041    227.498   37.821    41.163  3.5766  39.799  3.5865  1.364098       5.065055 
1 1 1 -20 -25 19 f 9.3251  2.8272  -4.6918   14.358    -35.8813  23.763    13.242    18.019    7.6261  3.7028  11.024  4.2734  -3.398057      5.654427 
1 1 1 -20 -25 20 o 13.475  3.4990  24.244    16.471    28.358    24.902    21.044    21.962    14.174  5.1178  12.776  4.7727  1.397988       6.997920 
1 1 1 -20 -25 21 o 13.478  3.0252  16.570    16.848    -29.7646  25.256    53.719    22.614    8.2940  3.9738  18.661  4.5625  -10.36696      6.050437 
1 1 1 -20 -25 22 o 34.124  2.7094  171.973   23.970    149.491   34.831    192.202   33.038    31.674  4.2099  36.575  3.4118  -4.901525      5.418800 
1 1 1 -20 -25 23 o 27.484  3.0107  113.099   21.393    124.575   31.376    103.129   29.244    28.853  4.1818  26.116  4.3325  2.737343       6.021478 
1 1 1 -20 -25 24 o 13.387  3.3365  19.761    16.690    45.820    24.730    -2.0355   22.617    16.947  5.0609  9.8279  4.3492  7.119103       6.672968 
1 1 1 -20 -25 25 f 10.321  3.0065  2.6212    15.146    -22.5291  23.404    20.746    19.868    8.2750  3.9253  12.367  4.5550  -4.092309      6.012987 
1 1 1 -20 -25 26 o 12.366  3.4343  17.263    16.773    26.930    25.048    9.4030    22.585    13.703  5.1015  11.029  4.5992  2.674227       6.868585 
1 1 1 -20 -24 2  o 10.240  2.7560  0.6206    12.106    28.599    19.167    -17.9522  15.616    13.819  4.5072  6.6605  3.1729  7.158163       5.512008 
1 1 1 -20 -24 3  o 14.663  3.2055  32.385    13.700    33.896    21.502    31.353    17.775    14.924  4.7656  14.401  4.2884  0.5224447      6.411043 
1 1 1 -20 -24 4  o 15.434  3.2504  34.624    14.122    45.019    23.211    28.515    17.794    17.022  4.8538  13.845  4.3243  3.176417       6.500731 
1 1 1 -20 -24 5  o 16.342  3.1663  40.189    14.190    45.668    21.589    36.022    18.828    17.257  4.5906  15.427  4.3621  1.829520       6.332601 
1 1 1 -20 -24 6  o 31.189  2.4948  139.466   20.417    140.530   30.019    138.551   27.852    31.224  3.6587  31.153  3.3927  0.7107544E-01  4.989592 
1 1 1 -20 -24 7  o 29.475  2.5121  124.055   19.378    135.879   28.554    113.960   26.385    30.800  3.5247  28.149  3.5805  2.650217       5.024259 
1 1 1 -20 -24 8  o 39.399  2.3303  219.176   24.261    245.942   35.045    194.545   33.619    41.806  3.1529  36.992  3.4321  4.813793       4.660501 
1 1 1 -20 -24 9  o 44.838  2.3246  283.377   27.629    313.964   39.733    254.741   38.444    47.278  3.1558  42.398  3.4142  4.879379       4.649277 
1 1 1 -20 -24 10 o 30.343  2.5055  130.990   19.876    148.821   29.097    115.392   27.214    32.360  3.4082  28.325  3.6735  4.035570       5.011047 
1 1 1 -20 -24 11 o 31.472  3.6214  141.770   29.971    141.770   29.971    0.0000    0.0000    31.472  3.6214  ?       ?       ?              ?        
1 1 1 -20 -24 12 o 15.903  4.7721  38.057    21.948    38.057    21.948    0.0000    0.0000    15.903  4.7721  ?       ?       ?              ?        
1 1 1 -20 -24 13 o 8.4635  3.8779  -11.2235  19.860    -11.2235  19.860    0.0000    0.0000    8.4635  3.8779  ?       ?       ?              ?        
1 1 1 -20 -24 14 o 25.262  4.1163  93.543    26.893    93.543    26.893    0.0000    0.0000    25.262  4.1163  ?       ?       ?              ?        
1 1 1 -20 -24 15 o 27.613  3.9985  110.938   28.713    110.938   28.713    0.0000    0.0000    27.613  3.9985  ?       ?       ?              ?        
1 1 1 -20 -24 16 o 25.669  4.2721  97.177    28.340    97.177    28.340    0.0000    0.0000    25.669  4.2721  ?       ?       ?              ?        
1 1 1 -20 -24 17 f 20.969  3.3486  68.654    18.777    44.367    27.190    90.800    25.963    17.025  5.3501  24.912  4.0285  -7.887266      6.697193 
1 1 1 -20 -24 18 o 15.117  3.3114  29.599    16.121    55.565    24.589    10.022    21.351    19.055  4.8155  11.179  4.5465  7.876449       6.622708 
1 1 1 -20 -24 19 o 20.041  3.1484  55.726    17.718    106.305   27.923    21.637    22.923    26.995  3.9813  13.086  4.8786  13.90950       6.296889 
1 1 1 -20 -24 20 o 47.174  2.4480  315.939   30.574    353.175   43.810    280.585   42.689    50.026  3.2879  44.322  3.6277  5.703529       4.895940 
1 1 1 -20 -24 21 f 26.548  3.0275  105.289   20.592    91.920    29.787    117.529   28.499    24.648  4.6830  28.448  3.8382  -3.799896      6.054960 
1 1 1 -20 -24 22 o 32.646  2.6617  153.736   22.717    174.230   32.922    135.111   31.386    34.852  3.5775  30.439  3.9421  4.413000       5.323409 
1 1 1 -20 -24 23 o 42.917  2.4641  263.097   27.962    292.310   40.028    235.254   39.078    45.382  3.3160  40.453  3.6457  4.929047       4.928215 
1 1 1 -20 -24 24 o 11.617  3.3478  10.477    16.415    18.849    24.929    4.0681    21.812    12.807  5.0093  10.427  4.4426  2.379685       6.695502 
1 1 1 -20 -24 25 o 25.484  3.1275  97.839    20.504    111.721   29.730    85.247    28.316    27.384  4.1862  23.584  4.6477  3.799778       6.255067 
1 1 1 -20 -24 26 o 17.015  3.6546  46.147    18.180    41.593    27.423    49.719    24.284    16.278  5.3954  17.751  4.9310  -1.473827      7.309237 
1 1 1 -20 -24 27 o 24.964  3.3223  98.303    21.166    66.879    29.831    130.162   30.036    20.249  5.4008  29.678  3.8706  -9.429562      6.644549 
1 1 1 -20 -24 28 f 31.084  2.7794  143.879   22.597    150.504   31.972    137.266   31.942    31.892  3.8188  30.277  4.0395  1.614447       5.558825 
1 1 1 -20 -24 29 o 9.4222  2.9608  -3.1559   15.202    -12.1696  22.953    3.8874    20.290    8.9026  4.1116  9.9418  4.2614  -1.039212      5.921621 
1 1 1 -20 -23 1  o 14.381  3.1712  31.140    13.521    27.303    21.354    33.709    17.468    13.798  4.7601  14.963  4.1914  -1.165513      6.342391 
1 1 1 -20 -23 2  f 26.838  2.5882  104.002   18.100    107.956   26.378    100.484   24.881    27.304  3.7023  26.373  3.6177  0.9311523      5.176379 
1 1 1 -20 -23 3  o 15.140  3.2542  34.745    14.530    27.846    22.394    39.760    19.094    14.032  4.8726  16.249  4.3147  -2.217394      6.508424 
1 1 1 -20 -23 4  o 12.986  5.2543  15.841    28.351    15.841    28.351    0.0000    0.0000    12.986  5.2543  ?       ?       ?              ?        
1 1 1 -20 -23 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -23 6  o 12.440  4.4398  20.321    18.686    0.0000    0.0000    20.321    18.686    ?       ?       12.440  4.4398  ?              ?        
1 1 1 -20 -23 7  o 56.837  3.1081  468.934   41.186    468.458   79.277    469.110   48.201    55.722  5.3785  57.953  3.1167  -2.230282      6.216265 
1 1 1 -20 -23 8  o 15.909  3.0267  35.370    13.153    51.090    21.225    25.568    16.760    18.489  4.3573  13.328  4.2022  5.160375       6.053469 
1 1 1 -20 -23 9  o 31.480  2.4739  141.609   20.327    126.659   29.291    155.499   28.232    29.712  3.7651  33.248  3.2101  -3.536448      4.947788 
1 1 1 -20 -23 10 o 31.951  2.4103  144.473   20.281    145.687   29.483    143.383   27.943    32.037  3.4924  31.864  3.3229  0.1727314      4.820641 
1 1 1 -20 -23 11 o 28.545  2.5558  116.541   19.031    114.166   27.885    118.611   26.037    28.183  3.7901  28.907  3.4297  -0.7246552     5.111518 
1 1 1 -20 -23 12 o 35.333  2.3634  176.475   22.023    163.350   31.387    189.202   30.910    33.939  3.5031  36.726  3.1733  -2.786758      4.726707 
1 1 1 -20 -23 13 o 16.961  3.3672  43.691    16.068    36.745    23.647    49.650    21.902    15.741  4.9945  18.182  4.5174  -2.440202      6.734392 
1 1 1 -20 -23 14 o 24.897  2.7713  90.192    17.765    86.076    26.172    93.710    24.192    24.231  4.1837  25.563  3.6355  -1.332306      5.542576 
1 1 1 -20 -23 15 o 22.607  3.0161  75.764    17.546    69.073    25.333    81.933    24.325    21.488  4.5436  23.726  3.9679  -2.237446      6.032291 
1 1 1 -20 -23 16 o 10.237  2.8748  7.9923    12.407    -5.0016   19.672    16.576    15.989    9.0458  4.0269  11.428  4.1039  -2.381857      5.749623 
1 1 1 -20 -23 17 o 12.818  3.2921  21.055    14.477    22.163    22.238    20.240    19.072    13.155  4.8230  12.480  4.4822  0.6745567      6.584142 
1 1 1 -20 -23 18 o 23.383  3.0137  80.283    17.897    117.037   26.639    50.043    24.163    28.638  3.5489  18.128  4.8718  10.50951       6.027398 
1 1 1 -20 -23 19 o 26.858  3.8476  112.466   24.236    107.526   45.883    114.378   28.543    25.589  6.6377  28.127  3.8930  -2.537178      7.695149 
1 1 1 -20 -23 20 o 43.833  3.4043  271.405   39.655    0.0000    0.0000    271.405   39.655    ?       ?       43.833  3.4043  ?              ?        
1 1 1 -20 -23 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -23 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -23 23 o 25.397  4.3874  95.823    28.766    95.823    28.766    0.0000    0.0000    25.397  4.3874  ?       ?       ?              ?        
1 1 1 -20 -23 24 o 18.457  3.4533  52.494    17.302    51.638    25.636    53.210    23.447    18.256  5.0648  18.657  4.6955  -0.4009533     6.906520 
1 1 1 -20 -23 25 o 42.608  2.3997  257.693   27.146    268.674   39.058    247.433   37.755    43.501  3.3786  41.716  3.4088  1.784683       4.799459 
1 1 1 -20 -23 26 o 14.065  3.5822  27.570    17.247    26.509    24.898    28.548    23.913    13.943  5.1046  14.188  5.0270  -0.2450600     7.164315 
1 1 1 -20 -23 27 o 65.748  2.3841  614.784   41.859    593.433   59.711    635.419   58.699    64.477  3.4703  67.019  3.2699  -2.542915      4.768142 
1 1 1 -20 -23 28 o 8.7079  2.8304  -13.5969  15.180    -3.4259   22.566    -22.0043  20.516    9.7299  4.3232  7.6859  3.6544  2.044021       5.660755 
1 1 1 -20 -23 29 o 14.952  3.6689  33.884    17.963    35.218    24.827    32.419    26.021    15.154  5.1348  14.750  5.2420  0.4038067      7.337892 
1 1 1 -20 -23 30 f 22.444  3.4685  80.189    20.293    71.810    28.940    88.296    28.464    21.066  5.1678  23.822  4.6277  -2.756254      6.937013 
1 1 1 -20 -23 31 o 12.373  3.1842  11.721    16.241    42.682    23.758    -15.4431  22.253    16.255  4.9837  8.4917  3.9648  7.763201       6.368407 
1 1 1 -20 -22 1  o 29.017  3.5334  120.360   26.895    0.0000    0.0000    120.360   26.895    ?       ?       29.017  3.5334  ?              ?        
1 1 1 -20 -22 2  o 20.541  2.8579  61.048    15.115    83.572    22.788    43.355    20.197    24.088  3.6461  16.995  4.4018  7.092810       5.715752 
1 1 1 -20 -22 3  o 27.488  2.5059  108.692   17.810    100.240   26.407    115.745   24.122    26.333  3.8583  28.643  3.1988  -2.309673      5.011879 
1 1 1 -20 -22 4  f 36.644  2.2615  189.066   21.895    179.646   31.708    197.650   30.271    35.678  3.3575  37.610  3.0306  -1.932217      4.523020 
1 1 1 -20 -22 5  o 18.126  2.9640  51.034    14.665    28.260    21.780    69.924    19.836    14.157  4.8094  22.095  3.4657  -7.938068      5.927997 
1 1 1 -20 -22 6  o 11.531  2.6765  14.500    11.843    -11.0617  18.309    32.891    15.530    8.1026  3.7166  14.959  3.8525  -6.856735      5.352972 
1 1 1 -20 -22 7  o 8.8392  2.6709  1.2098    11.151    -7.4877   18.956    5.8129    13.790    8.6248  3.8870  9.0536  3.6640  -0.4288206     5.341750 
1 1 1 -20 -22 8  o 19.211  2.9405  53.193    14.667    68.418    22.433    41.826    19.384    21.649  4.0166  16.773  4.2957  4.875788       5.881032 
1 1 1 -20 -22 9  o 31.793  2.3993  142.816   20.087    139.083   28.879    146.315   27.958    31.335  3.5006  32.251  3.2822  -0.9161816     4.798669 
1 1 1 -20 -22 10 o 36.002  2.2694  181.843   21.506    206.551   30.739    158.152   30.100    38.516  3.0034  33.489  3.4029  5.026554       4.538725 
1 1 1 -20 -22 11 o 13.806  3.1758  26.561    13.289    30.853    20.853    23.627    17.244    14.617  4.6958  12.996  4.2770  1.621345       6.351624 
1 1 1 -20 -22 12 o 30.399  2.4575  130.857   19.633    127.550   28.024    134.045   27.515    29.979  3.5596  30.820  3.3890  -0.8416157     4.914907 
1 1 1 -20 -22 13 o 12.148  2.9823  19.456    12.323    9.2827    19.478    26.246    15.913    10.816  4.3626  13.480  4.0674  -2.664333      5.964534 
1 1 1 -20 -22 14 o 29.141  2.5268  120.778   19.232    132.156   27.343    109.638   27.056    30.598  3.3935  27.684  3.7448  2.913292       5.053648 
1 1 1 -20 -22 15 o 20.240  3.1565  60.543    16.650    69.100    24.479    53.175    22.714    21.622  4.3770  18.858  4.5493  2.763916       6.312970 
1 1 1 -20 -22 16 o 12.542  3.0566  16.730    13.480    36.123    20.534    2.0444    17.869    15.616  4.5990  9.4690  4.0274  6.146882       6.113135 
1 1 1 -20 -22 17 o 48.295  2.2645  326.034   29.075    349.023   41.321    303.489   40.919    50.053  3.0974  46.538  3.3042  3.515312       4.528949 
1 1 1 -20 -22 18 o 57.049  2.2837  454.866   34.722    478.217   49.303    431.886   48.909    58.560  3.1549  55.538  3.3027  3.022003       4.567419 
1 1 1 -20 -22 19 o 55.205  2.2903  427.562   33.514    478.583   47.455    376.795   47.338    58.656  3.0309  51.754  3.4344  6.901821       4.580559 
1 1 1 -20 -22 20 o 35.323  2.4043  176.382   22.427    166.150   31.763    186.555   31.672    34.232  3.5140  36.415  3.2824  -2.183311      4.808609 
1 1 1 -20 -22 21 o 9.6315  2.9411  0.1093    13.948    -5.0932   20.747    4.4000    18.841    9.2904  4.1357  9.9726  4.1828  -0.6822071     5.882159 
1 1 1 -20 -22 22 o 14.102  3.3769  27.941    15.497    19.877    22.500    35.220    21.375    12.816  4.8224  15.389  4.7286  -2.573174      6.753896 
1 1 1 -20 -22 23 o 21.162  3.1766  67.349    17.434    63.149    25.256    71.171    24.096    20.412  4.7146  21.913  4.2588  -1.501501      6.353282 
1 1 1 -20 -22 24 o 24.708  4.0722  89.459    26.011    0.0000    0.0000    89.459    26.011    ?       ?       24.708  4.0722  ?              ?        
1 1 1 -20 -22 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -22 26 o 29.158  3.9926  123.894   30.363    123.894   30.363    0.0000    0.0000    29.158  3.9926  ?       ?       ?              ?        
1 1 1 -20 -22 27 o 12.892  3.2139  20.826    15.051    3.5733    22.397    35.031    20.323    10.530  4.4946  15.253  4.5953  -4.723022      6.427899 
1 1 1 -20 -22 28 o 62.518  2.3435  553.391   39.101    551.237   55.446    555.524   55.151    62.380  3.3305  62.655  3.2979  -0.2757492     4.687045 
1 1 1 -20 -22 29 o 45.835  2.3929  300.317   29.041    328.426   40.973    271.939   41.168    48.155  3.1948  43.514  3.5634  4.640961       4.785865 
1 1 1 -20 -22 30 o 34.549  2.6231  174.153   23.721    154.430   33.602    193.746   33.491    32.393  3.9549  36.704  3.4470  -4.311302      5.246235 
1 1 1 -20 -22 31 o 27.710  2.9459  116.473   20.833    97.490    30.075    133.984   28.885    25.135  4.6380  30.285  3.6334  -5.149246      5.891782 
1 1 1 -20 -22 32 o 22.604  3.4888  81.640    20.597    68.280    28.928    95.379    29.333    20.433  5.2557  24.775  4.5894  -4.341991      6.977510 
1 1 1 -20 -22 33 o 24.167  3.3440  93.876    20.846    131.075   30.096    59.571    28.901    29.533  3.9000  18.801  5.4332  10.73232       6.688021 
1 1 1 -20 -21 1  o 13.000  3.0521  22.891    13.238    9.7434    19.583    33.952    17.963    10.867  4.3774  15.134  4.2542  -4.267175      6.104102 
1 1 1 -20 -21 2  o 16.970  3.0984  43.664    14.286    35.882    21.544    49.771    19.085    15.549  4.7419  18.390  3.9894  -2.840587      6.196809 
1 1 1 -20 -21 3  o 32.262  2.2651  146.012   19.293    149.802   28.088    142.627   26.546    32.637  3.2566  31.888  3.1492  0.7487793      4.530210 
1 1 1 -20 -21 4  o 17.842  2.8645  46.652    13.207    48.011    20.676    45.715    17.164    17.968  4.3440  17.715  3.7351  0.2531281      5.728946 
1 1 1 -20 -21 5  f 11.163  2.9692  14.028    11.820    14.434    19.125    13.776    15.036    11.548  4.4221  10.778  3.9636  0.7703962      5.938437 
1 1 1 -20 -21 6  o 15.197  2.9999  32.190    12.604    44.371    20.187    24.408    16.135    17.293  4.3595  13.100  4.1222  4.192316       5.999776 
1 1 1 -20 -21 7  o 39.200  2.1673  213.785   22.568    214.222   32.321    213.369   31.527    39.222  3.1019  39.178  3.0279  0.4363632E-01  4.334685 
1 1 1 -20 -21 8  o 12.892  3.0143  22.582    12.113    27.360    18.080    18.691    16.316    13.840  4.3648  11.945  4.1585  1.895606       6.028635 
1 1 1 -20 -21 9  o 36.296  2.2276  184.647   21.248    160.098   30.227    208.627   29.874    33.772  3.3873  38.820  2.8939  -5.048302      4.455109 
1 1 1 -20 -21 10 o 16.058  3.0016  37.409    13.077    43.545    19.698    32.574    17.485    17.185  4.2921  14.932  4.1973  2.253046       6.003283 
1 1 1 -20 -21 11 o 21.547  2.7918  67.663    15.412    61.699    22.792    72.687    20.919    20.513  4.2865  22.580  3.5781  -2.067554      5.583620 
1 1 1 -20 -21 12 o 36.022  2.2471  181.065   21.421    172.269   30.574    189.546   30.021    35.106  3.2898  36.938  3.0619  -1.832203      4.494270 
1 1 1 -20 -21 13 o 30.623  2.4163  132.542   19.249    152.693   27.220    112.386   27.224    33.113  3.1054  28.132  3.7028  4.980408       4.832613 
1 1 1 -20 -21 14 o 21.791  2.9201  68.703    16.371    82.960    23.959    56.220    22.420    24.052  3.8489  19.530  4.3924  4.522106       5.840127 
1 1 1 -20 -21 15 o 44.752  2.1928  277.970   26.122    275.884   36.912    280.062   36.972    44.578  3.1109  44.925  3.0913  -0.3475800     4.385680 
1 1 1 -20 -21 16 o 40.114  2.2031  223.878   23.463    233.037   33.071    214.597   33.293    40.983  3.0343  39.246  3.1949  1.737251       4.406171 
1 1 1 -20 -21 17 o 54.288  2.1959  409.071   31.767    428.680   44.964    389.529   44.887    55.637  3.0287  52.939  3.1803  2.697906       4.391739 
1 1 1 -20 -21 18 o 31.824  2.5231  144.315   20.833    121.743   29.731    166.089   29.200    29.171  3.9029  34.476  3.1986  -5.304361      5.046145 
1 1 1 -20 -21 19 o 13.080  3.2013  21.981    13.796    30.464    20.697    15.197    18.507    14.567  4.6781  11.594  4.3714  2.973023       6.402608 
1 1 1 -20 -21 20 o 54.284  2.2058  410.024   31.916    394.634   45.167    425.372   45.106    53.222  3.1830  55.346  3.0545  -2.124050      4.411570 
1 1 1 -20 -21 21 o 24.350  2.9017  87.440    17.998    70.568    25.878    103.248   25.049    21.767  4.5834  26.933  3.5596  -5.165491      5.803308 
1 1 1 -20 -21 22 o 10.209  2.9105  1.6045    13.121    20.686    20.185    -12.3590  17.267    12.716  4.6051  7.7025  3.5605  5.013326       5.821024 
1 1 1 -20 -21 23 o 30.217  2.6484  131.793   20.659    110.943   29.479    151.917   28.961    27.626  4.1090  32.808  3.3424  -5.182480      5.296732 
1 1 1 -20 -21 24 o 71.664  2.3076  718.056   44.288    703.192   62.567    732.983   62.699    70.892  3.2950  72.437  3.2316  -1.545349      4.615236 
1 1 1 -20 -21 25 o 33.569  2.5889  164.536   22.004    121.723   31.554    205.065   30.700    28.848  4.2074  38.290  3.0179  -9.441786      5.177826 
1 1 1 -20 -21 26 o 18.762  3.3560  53.472    16.877    58.132    24.545    49.294    23.244    19.540  4.7387  17.984  4.7534  1.555452       6.711951 
1 1 1 -20 -21 27 o 40.077  4.1682  233.846   44.089    0.0000    0.0000    233.846   44.089    ?       ?       40.077  4.1682  ?              ?        
1 1 1 -20 -21 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -21 29 o 30.654  2.7089  137.191   21.382    112.578   30.186    161.973   30.290    27.601  4.2170  33.708  3.4015  -6.106939      5.417846 
1 1 1 -20 -21 30 o 18.104  3.2453  50.111    17.222    78.353    24.489    22.474    24.225    22.943  4.1372  13.265  5.0012  9.678490       6.490686 
1 1 1 -20 -21 31 o 38.372  2.5116  212.852   25.374    194.620   36.451    229.992   35.343    36.591  3.7733  40.153  3.3159  -3.561871      5.023276 
1 1 1 -20 -21 32 o 13.350  3.4934  23.014    16.903    33.677    24.626    13.516    23.243    14.919  5.1137  11.782  4.7608  3.136851       6.986794 
1 1 1 -20 -21 33 f 13.528  3.5264  25.074    17.351    34.483    23.871    14.534    25.264    14.939  5.0351  12.117  4.9388  2.822150       7.052890 
1 1 1 -20 -21 34 o 13.100  3.4124  23.059    16.704    35.612    22.694    8.2186    24.675    15.007  4.9050  11.193  4.7455  3.813920       6.824870 
1 1 1 -20 -20 1  o 12.213  2.8000  20.889    11.176    7.9683    18.008    28.983    14.252    10.333  4.1852  14.094  3.7207  -3.761093      5.599989 
1 1 1 -20 -20 2  o 27.870  2.3189  108.923   16.933    119.488   24.803    99.700    23.174    29.166  3.2292  26.575  3.3288  2.591286       4.637719 
1 1 1 -20 -20 3  o 10.751  2.8288  11.014    10.916    21.363    17.593    4.5375    13.918    12.606  4.3222  8.8967  3.6505  3.708842       5.657549 
1 1 1 -20 -20 4  o 6.1607  2.0557  -11.8610  8.4258    -17.3707  14.670    -9.1487   10.293    6.5111  3.0941  5.8104  2.7074  0.7006683      4.111393 
1 1 1 -20 -20 5  o 39.438  2.1506  215.780   22.507    229.946   31.972    201.865   31.688    40.770  2.9477  38.107  3.1323  2.662441       4.301225 
1 1 1 -20 -20 6  o 49.676  2.0942  340.794   27.723    333.088   39.512    348.266   38.908    49.092  3.0195  50.260  2.9026  -1.168308      4.188373 
1 1 1 -20 -20 7  f 9.9281  2.6697  8.3784    9.9159    16.967    15.562    2.5084    12.866    11.546  4.0591  8.3100  3.4688  3.236276       5.339309 
1 1 1 -20 -20 8  o 10.497  2.7097  11.522    10.821    -2.6990   17.176    20.879    13.933    8.7607  3.8365  12.233  3.8275  -3.472564      5.419317 
1 1 1 -20 -20 9  o 24.771  2.5007  86.490    16.055    96.831    23.213    77.007    22.229    26.267  3.3777  23.275  3.6886  2.991323       5.001412 
1 1 1 -20 -20 10 o 18.936  2.7693  51.550    13.540    54.422    20.132    49.178    18.295    19.400  4.0071  18.473  3.8236  0.9266453      5.538620 
1 1 1 -20 -20 11 o 41.153  2.1299  233.628   23.302    223.857   32.640    243.786   33.279    40.256  3.0497  42.049  2.9739  -1.793480      4.259703 
1 1 1 -20 -20 12 o 19.438  2.9635  55.247    15.005    46.304    21.419    63.865    21.027    17.766  4.4969  21.110  3.8611  -3.343483      5.927079 
1 1 1 -20 -20 13 o 32.616  2.2465  147.636   19.371    143.518   27.010    151.996   27.795    32.143  3.1789  33.089  3.1751  -0.9452400     4.492990 
1 1 1 -20 -20 14 o 44.810  2.1509  277.183   25.645    286.985   36.145    267.247   36.391    45.641  2.9729  43.980  3.1093  1.661579       4.301847 
1 1 1 -20 -20 15 o 8.8051  2.6246  -2.8260   10.870    11.340    17.318    -12.0364  13.964    10.818  4.1906  6.7924  3.1611  4.025502       5.249154 
1 1 1 -20 -20 16 o 17.027  3.0134  41.277    14.033    57.980    20.958    27.704    18.893    20.021  4.0473  14.033  4.4656  5.987826       6.026845 
1 1 1 -20 -20 17 o 41.102  2.1726  233.668   23.745    232.216   33.593    235.119   33.568    40.969  3.0839  41.236  3.0611  -0.2662239     4.345197 
1 1 1 -20 -20 18 o 30.946  2.4879  136.489   19.720    106.621   28.126    165.368   27.656    27.342  3.9555  34.551  3.0188  -7.209070      4.975870 
1 1 1 -20 -20 19 o 28.626  2.4618  115.317   18.433    125.426   26.319    105.587   25.823    29.927  3.3404  27.325  3.6171  2.601482       4.923603 
1 1 1 -20 -20 20 o 15.050  2.9161  30.950    14.138    4.8192    20.177    56.160    19.818    10.397  4.3423  19.702  3.8934  -9.305270      5.832139 
1 1 1 -20 -20 21 o 64.874  2.2012  581.773   38.249    580.501   54.157    583.040   54.029    64.798  3.1203  64.949  3.1057  -0.1510544     4.402472 
1 1 1 -20 -20 22 o 9.5913  2.8512  -0.0618   12.826    12.181    19.221    -9.8892   17.222    11.233  4.3972  7.9499  3.6308  3.282771       5.702430 
1 1 1 -20 -20 23 o 16.868  3.2642  41.888    15.387    52.840    22.449    32.183    21.132    18.836  4.5093  14.900  4.7208  3.936143       6.528404 
1 1 1 -20 -20 24 o 21.472  2.9711  68.810    16.459    98.341    23.716    41.371    22.861    26.321  3.4469  16.624  4.8403  9.696581       5.942190 
1 1 1 -20 -20 25 o 35.599  2.3567  178.371   22.203    183.539   31.892    173.511   30.929    36.101  3.3358  35.097  3.3300  1.004490       4.713478 
1 1 1 -20 -20 26 o 54.434  2.2146  414.009   32.151    418.920   45.761    409.221   45.181    54.753  3.1333  54.115  3.1304  0.6372757      4.429130 
1 1 1 -20 -20 27 o 20.427  3.1992  63.299    17.187    78.645    24.269    47.859    24.343    23.156  4.0610  17.698  4.9446  5.458456       6.398484 
1 1 1 -20 -20 28 o 18.343  2.9011  49.079    16.504    5.7536    22.988    95.162    23.709    10.933  4.6047  25.753  3.5300  -14.82005      5.802103 
1 1 1 -20 -20 29 o 24.352  5.2359  91.966    33.137    0.0000    0.0000    91.966    33.137    ?       ?       24.352  5.2359  ?              ?        
1 1 1 -20 -20 30 o 51.472  3.2884  374.384   45.099    374.384   45.099    0.0000    0.0000    51.472  3.2884  ?       ?       ?              ?        
1 1 1 -20 -20 31 o 30.552  2.7310  135.871   21.775    148.271   31.102    123.949   30.497    32.037  3.6920  29.067  4.0252  2.970886       5.461981 
1 1 1 -20 -20 32 o 8.2702  2.6800  -10.5771  13.484    -6.5124   18.635    -15.0449  19.537    8.5511  3.8539  7.9892  3.7251  0.5619087      5.359911 
1 1 1 -20 -20 33 o 21.246  3.4332  70.654    19.132    76.519    27.220    64.928    26.895    22.219  4.7196  20.273  4.9873  1.945755       6.866374 
1 1 1 -20 -20 34 o 33.567  2.8045  168.083   24.133    132.338   33.843    205.068   34.424    29.492  4.4203  37.641  3.4529  -8.148733      5.609079 
1 1 1 -20 -20 35 o 34.663  2.6237  177.299   23.965    169.953   33.275    185.217   34.543    33.899  3.7262  35.428  3.6946  -1.528667      5.247353 
1 1 1 -20 -20 36 o 6.9266  2.3872  -31.0302  14.255    -29.5267  19.191    -32.8809  21.292    6.7673  3.2953  7.0860  3.4549  -0.3186626     4.774468 
1 1 1 -20 -19 1  o 16.670  2.9602  41.353    13.318    33.350    19.711    48.075    18.065    15.132  4.5181  18.207  3.8259  -3.074381      5.920352 
1 1 1 -20 -19 2  o 10.268  2.7765  10.526    10.875    3.5301    17.003    15.370    14.148    9.5207  3.9821  11.015  3.8703  -1.494432      5.553017 
1 1 1 -20 -19 3  o 19.704  2.8461  55.481    14.547    76.584    21.714    38.298    19.594    23.230  3.6068  16.178  4.4036  7.051447       5.692208 
1 1 1 -20 -19 4  o 16.957  2.8920  42.278    13.021    36.186    19.274    47.392    17.660    15.766  4.3978  18.147  3.7570  -2.381044      5.784091 
1 1 1 -20 -19 5  o 32.871  2.1833  149.735   18.879    169.697   27.060    130.801   26.353    35.085  2.9056  30.656  3.2594  4.429216       4.366501 
1 1 1 -20 -19 6  o 22.653  2.6931  76.997    15.062    47.336    21.994    103.193   20.669    17.980  4.5601  27.327  2.8666  -9.346367      5.386260 
1 1 1 -20 -19 7  o 28.965  2.3255  117.078   17.633    105.575   24.962    128.537   24.914    27.464  3.4708  30.467  3.0960  -3.003040      4.650958 
1 1 1 -20 -19 8  o 25.229  2.4425  89.733    15.732    110.995   22.600    69.742    21.914    28.320  3.0262  22.137  3.8347  6.182829       4.884991 
1 1 1 -20 -19 9  o 38.698  2.1216  206.236   21.760    188.773   30.600    224.099   30.949    36.989  3.1177  40.407  2.8784  -3.417717      4.243257 
1 1 1 -20 -19 10 o 19.711  2.6828  58.416    13.481    33.597    19.636    80.547    18.542    15.309  4.4941  24.112  2.9313  -8.802900      5.365613 
1 1 1 -20 -19 11 o 27.816  2.4075  108.742   17.241    87.696    24.290    130.110   24.475    24.929  3.7542  30.703  3.0150  -5.774416      4.815025 
1 1 1 -20 -19 12 o 34.226  2.1981  161.710   19.923    163.845   27.938    159.502   28.419    34.474  3.0574  33.978  3.1588  0.4957275      4.396108 
1 1 1 -20 -19 13 o 35.807  2.1716  176.974   20.583    187.911   28.987    165.852   29.232    36.970  2.9519  34.644  3.1859  2.326584       4.343250 
1 1 1 -20 -19 14 o 15.252  2.9681  33.914    12.845    23.679    19.074    42.408    17.376    13.333  4.5008  17.172  3.8704  -3.839856      5.936160 
1 1 1 -20 -19 15 o 17.931  2.9916  46.247    14.454    63.378    21.025    30.894    19.904    21.081  3.8660  14.782  4.5666  6.298466       5.983289 
1 1 1 -20 -19 16 o 69.383  2.1976  660.304   40.806    689.666   57.610    630.742   57.807    70.971  3.0306  67.795  3.1834  3.176186       4.395278 
1 1 1 -20 -19 17 f 23.457  2.7157  78.134    16.471    79.123    23.422    77.167    23.168    23.608  3.8357  23.305  3.8456  0.3029442      5.431474 
1 1 1 -20 -19 18 o 44.043  2.1426  267.015   25.121    271.436   35.740    262.698   35.316    44.408  3.0227  43.678  3.0376  0.7295151      4.285267 
1 1 1 -20 -19 19 o 20.499  2.8773  60.376    15.229    65.995    22.168    55.355    20.956    21.439  4.0077  19.559  4.1297  1.879992       5.754626 
1 1 1 -20 -19 20 o 34.612  2.2364  166.320   20.468    160.446   29.423    171.827   28.490    33.973  3.2740  35.251  3.0474  -1.277996      4.472771 
1 1 1 -20 -19 21 o 31.945  2.3153  142.270   19.514    137.126   27.708    147.331   27.486    31.337  3.3532  32.553  3.1934  -1.216589      4.630535 
1 1 1 -20 -19 22 o 52.857  2.1270  385.420   29.980    398.532   42.671    372.637   42.131    53.765  2.9747  51.950  3.0411  1.814781       4.254039 
1 1 1 -20 -19 23 o 27.057  2.5471  104.753   17.711    88.407    25.541    119.891   24.580    24.815  3.9770  29.298  3.1835  -4.482624      5.094231 
1 1 1 -20 -19 24 o 34.469  2.3110  166.112   21.069    172.948   29.956    159.420   29.638    35.201  3.2126  33.738  3.3229  1.462757       4.621941 
1 1 1 -20 -19 25 o 15.760  3.2582  36.516    14.711    42.095    21.034    31.172    20.583    16.824  4.5556  14.695  4.6595  2.128595       6.516448 
1 1 1 -20 -19 26 o 16.439  3.3127  40.356    15.542    31.620    22.229    48.710    21.737    14.822  4.8550  18.056  4.5084  -3.233660      6.625441 
1 1 1 -20 -19 27 o 34.149  2.3872  164.556   21.539    171.218   30.752    158.139   30.178    34.853  3.3348  33.444  3.4169  1.409500       4.774499 
1 1 1 -20 -19 28 o 27.992  2.6959  112.974   19.681    110.792   27.907    115.133   27.760    27.690  3.8683  28.293  3.7560  -0.6022987     5.391757 
1 1 1 -20 -19 29 o 34.036  2.5294  165.649   22.145    208.896   32.111    126.429   30.580    38.558  3.1364  29.513  3.9691  9.045815       5.058734 
1 1 1 -20 -19 30 o 19.114  3.1989  55.044    17.157    85.449    24.905    27.583    23.669    24.141  3.9911  14.087  5.0002  10.05419       6.397724 
1 1 1 -20 -19 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -19 32 o 42.176  2.3753  252.806   26.567    235.613   37.250    270.606   37.902    40.639  3.4549  43.712  3.2606  -3.073204      4.750573 
1 1 1 -20 -19 33 o 30.313  2.8984  137.661   22.081    174.297   31.211    100.951   31.243    34.909  3.3803  25.717  4.7091  9.192030       5.796706 
1 1 1 -20 -19 34 o 15.895  3.5237  39.203    17.234    49.979    23.755    27.230    25.039    17.841  4.8457  13.949  5.1172  3.891683       7.047474 
1 1 1 -20 -19 35 o 17.264  3.5533  47.673    17.442    49.799    24.498    45.487    24.840    17.659  4.9696  16.869  5.0800  0.7900372      7.106561 
1 1 1 -20 -19 36 o 9.8398  3.0825  -2.8570   16.373    5.8331    22.972    -11.8284  23.341    10.661  4.5510  9.0191  4.1587  1.641384       6.164958 
1 1 1 -20 -19 37 o 16.544  3.7773  45.722    19.268    54.650    27.672    37.319    26.845    17.935  5.3530  15.154  5.3309  2.781152       7.554671 
1 1 1 -20 -18 1  o 44.326  2.0688  270.496   24.412    266.444   34.920    274.368   34.140    43.977  2.9822  44.675  2.8682  -0.6982994     4.137619 
1 1 1 -20 -18 2  o 7.5143  2.3018  -1.3583   8.6001    -6.4041   13.459    2.1238    11.180    7.2551  3.2720  7.7734  3.2383  -0.5183253     4.603515 
1 1 1 -20 -18 3  o 34.341  2.0836  162.359   18.973    168.058   27.099    156.879   26.572    34.943  2.9222  33.738  2.9708  1.205330       4.167109 
1 1 1 -20 -18 4  o 22.989  2.5886  74.533    14.834    108.036   22.090    47.013    20.020    27.958  2.9965  18.020  4.2219  9.938351       5.177226 
1 1 1 -20 -18 5  o 11.993  2.8454  18.844    10.597    19.269    17.017    18.575    13.543    12.266  4.2483  11.720  3.7864  0.5468483      5.690759 
1 1 1 -20 -18 6  o 37.618  2.0734  194.263   20.715    187.936   29.357    200.538   29.235    36.987  2.9888  38.249  2.8746  -1.262569      4.146873 
1 1 1 -20 -18 7  o 37.810  3.3665  218.247   26.795    232.032   30.796    175.283   54.367    41.189  2.8081  34.430  6.1195  6.758629       6.733000 
1 1 1 -20 -18 8  o 52.879  2.9314  382.255   41.356    382.255   41.356    0.0000    0.0000    52.879  2.9314  ?       ?       ?              ?        
1 1 1 -20 -18 9  o 33.020  3.9669  152.622   34.382    152.622   34.382    0.0000    0.0000    33.020  3.9669  ?       ?       ?              ?        
1 1 1 -20 -18 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -18 11 o 25.315  4.6130  91.896    30.126    91.896    30.126    0.0000    0.0000    25.315  4.6130  ?       ?       ?              ?        
1 1 1 -20 -18 12 o 43.625  3.8136  264.052   44.114    264.052   44.114    0.0000    0.0000    43.625  3.8136  ?       ?       ?              ?        
1 1 1 -20 -18 13 o 15.726  4.4114  35.413    19.336    35.413    19.336    0.0000    0.0000    15.726  4.4114  ?       ?       ?              ?        
1 1 1 -20 -18 14 o 29.505  3.3115  110.638   21.681    99.334    24.455    152.173   46.874    26.696  3.5048  32.314  5.6197  -5.618889      6.623008 
1 1 1 -20 -18 15 o 80.509  2.2793  887.274   49.090    934.346   69.279    839.809   69.568    82.705  3.1274  78.314  3.3165  4.391045       4.558522 
1 1 1 -20 -18 16 o 26.033  2.4460  94.535    16.622    93.741    23.864    95.284    23.165    25.903  3.5316  26.162  3.3852  -0.2585945     4.892020 
1 1 1 -20 -18 17 o 46.780  2.0743  299.525   25.855    307.789   36.777    291.449   36.355    47.429  2.9090  46.132  2.9578  1.297226       4.148597 
1 1 1 -20 -18 18 o 26.260  2.4217  96.789    16.470    84.631    23.534    108.460   23.058    24.524  3.6976  27.996  3.1284  -3.471642      4.843455 
1 1 1 -20 -18 19 o 12.628  3.0545  20.795    12.452    18.608    18.257    22.697    17.027    12.302  4.3889  12.953  4.2494  -0.6514053     6.108963 
1 1 1 -20 -18 20 o 12.151  2.9565  17.274    12.551    4.1243    18.103    29.445    17.416    9.9213  4.1258  14.380  4.2356  -4.459000      5.912914 
1 1 1 -20 -18 21 o 27.479  2.4902  107.366   17.482    85.573    25.082    127.957   24.379    24.533  3.9511  30.424  3.0321  -5.891058      4.980458 
1 1 1 -20 -18 22 o 7.5895  2.4598  -10.2594  11.232    -10.8187  16.957    -9.8221   14.993    7.8289  3.5857  7.3500  3.3684  0.4789214      4.919692 
1 1 1 -20 -18 23 o 43.675  2.1351  262.745   24.806    275.841   35.730    250.559   34.466    44.737  2.9991  42.613  3.0397  2.124573       4.270173 
1 1 1 -20 -18 24 o 52.868  2.1341  385.990   30.032    359.487   42.536    412.332   42.407    50.993  3.1294  54.742  2.9026  -3.749081      4.268250 
1 1 1 -20 -18 25 o 30.336  2.4258  130.905   18.974    107.261   27.281    153.055   26.406    27.456  3.8125  33.216  3.0003  -5.759939      4.851537 
1 1 1 -20 -18 26 o 19.489  3.0609  57.115    15.935    35.023    22.692    78.607    22.382    15.525  4.8891  23.454  3.6842  -7.929105      6.121870 
1 1 1 -20 -18 27 o 10.818  3.0799  8.9804    13.836    3.9974    19.989    13.564    19.171    10.210  4.2967  11.426  4.4138  -1.215738      6.159801 
1 1 1 -20 -18 28 o 17.649  3.2757  46.040    16.238    64.230    23.649    29.815    22.335    20.808  4.3817  14.491  4.8705  6.316838       6.551364 
1 1 1 -20 -18 29 o 49.387  2.2149  341.094   29.141    339.456   41.606    342.671   40.829    49.245  3.1712  49.530  3.0930  -0.2853432     4.429819 
1 1 1 -20 -18 30 o 36.620  2.3973  190.983   23.048    168.059   32.932    212.992   32.267    34.288  3.6415  38.953  3.1188  -4.665161      4.794570 
1 1 1 -20 -18 31 o 23.227  3.0877  83.289    18.243    115.989   25.672    49.929    25.930    28.498  3.4322  17.955  5.1338  10.54280       6.175428 
1 1 1 -20 -18 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -18 33 o 15.655  3.9134  37.579    19.321    43.663    21.093    5.8671    48.157    16.898  4.5563  14.413  6.3638  2.485259       7.826773 
1 1 1 -20 -18 34 o 10.316  3.1313  -1.7353   16.247    -16.5459  22.368    14.803    23.637    8.5536  3.9874  12.079  4.8291  -3.525643      6.262545 
1 1 1 -20 -18 35 o 15.528  3.2308  31.718    17.945    67.897    25.123    -5.9649   25.640    20.964  4.6006  10.092  4.5372  10.87119       6.461537 
1 1 1 -20 -18 36 o 11.615  3.1446  -2.7393   17.181    -39.5586  23.410    40.241    25.293    7.2958  3.5713  15.935  5.1768  -8.638952      6.289128 
1 1 1 -20 -18 37 o 13.399  3.6600  24.177    18.635    21.337    25.676    27.340    27.089    12.932  5.0764  13.865  5.2739  -0.9323626     7.320069 
1 1 1 -20 -18 38 o 23.098  3.5419  87.746    21.281    90.356    30.396    85.236    29.803    23.462  4.9904  22.735  5.0277  0.7269974      7.083886 
1 1 1 -20 -17 1  o 27.513  3.4048  105.516   24.556    105.516   24.556    0.0000    0.0000    27.513  3.4048  ?       ?       ?              ?        
1 1 1 -20 -17 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -17 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -17 4  o ?       ?       -35.7529  8.5798    0.0000    0.0000    -35.7529  8.5798    ?       ?       ?       ?       ?              ?        
1 1 1 -20 -17 5  o 15.130  2.7204  30.740    11.821    51.643    17.802    14.254    15.810    19.107  3.6108  11.153  4.0700  7.954529       5.440864 
1 1 1 -20 -17 6  o 25.881  2.3248  93.185    15.663    83.833    22.264    102.349   22.040    24.518  3.4886  27.245  3.0740  -2.726957      4.649665 
1 1 1 -20 -17 7  o 53.943  2.0262  396.486   29.137    364.599   41.098    428.711   41.315    51.685  2.9814  56.201  2.7446  -4.515793      4.052344 
1 1 1 -20 -17 8  o 40.555  2.0296  224.517   21.904    225.438   30.868    223.584   31.086    40.644  2.8536  40.466  2.8869  0.1770859      4.059222 
1 1 1 -20 -17 9  o 80.010  2.2403  872.286   48.002    889.853   67.837    854.669   67.933    80.832  3.1333  79.189  3.2028  1.643684       4.480525 
1 1 1 -20 -17 10 o 48.295  2.0211  317.749   26.022    316.578   36.417    318.971   37.198    48.211  2.8326  48.379  2.8837  -0.1678505     4.042167 
1 1 1 -20 -17 11 o 67.849  2.1115  625.755   38.353    598.874   53.871    653.384   54.616    66.356  3.0310  69.342  2.9406  -2.985435      4.223040 
1 1 1 -20 -17 12 o 63.560  2.1009  551.340   35.559    603.406   50.130    498.609   50.449    66.680  2.8068  60.441  3.1269  6.238632       4.201881 
1 1 1 -20 -17 13 o 60.473  2.0636  496.999   33.416    505.386   46.985    488.415   47.533    61.002  2.8756  59.944  2.9605  1.057938       4.127163 
1 1 1 -20 -17 14 o 67.428  2.1356  618.805   38.540    645.771   54.437    591.709   54.569    68.926  2.9487  65.930  3.0901  2.995926       4.271251 
1 1 1 -20 -17 15 o 59.430  2.0667  480.093   32.897    481.728   46.397    478.440   46.651    59.536  2.9095  59.324  2.9359  0.2113724      4.133357 
1 1 1 -20 -17 16 o 43.211  2.9284  255.010   33.694    0.0000    0.0000    255.010   33.694    ?       ?       43.211  2.9284  ?              ?        
1 1 1 -20 -17 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -17 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -17 19 o 11.282  4.2442  13.470    17.426    13.470    17.426    0.0000    0.0000    11.282  4.2442  ?       ?       ?              ?        
1 1 1 -20 -17 20 o 53.968  2.0675  398.372   29.746    383.025   42.350    413.316   41.790    52.909  3.0007  55.026  2.8452  -2.116470      4.135098 
1 1 1 -20 -17 21 o 8.9615  2.6267  -0.8931   10.844    12.050    16.462    -10.8132  14.412    10.839  4.1140  7.0840  3.2669  3.755117       5.253386 
1 1 1 -20 -17 22 o 58.525  2.0930  468.240   32.735    488.840   46.849    448.586   45.760    59.834  2.9232  57.217  2.9963  2.617172       4.186046 
1 1 1 -20 -17 23 o 26.299  2.5810  99.160    17.150    74.880    24.542    122.334   23.976    22.855  4.1624  29.743  3.0528  -6.888430      5.161904 
1 1 1 -20 -17 24 f 52.144  2.0889  373.568   29.042    369.952   41.606    377.003   40.556    51.873  3.0074  52.414  2.9000  -0.5409088     4.177895 
1 1 1 -20 -17 25 o 50.383  2.1218  349.485   28.491    352.962   40.985    346.233   39.634    50.610  3.0375  50.157  2.9633  0.4526367      4.243528 
1 1 1 -20 -17 26 o 51.791  2.1594  371.645   29.680    334.833   42.215    407.628   41.737    49.149  3.2246  54.433  2.8728  -5.284233      4.318734 
1 1 1 -20 -17 27 o 30.341  2.4184  129.194   19.299    134.495   27.857    124.301   26.762    30.946  3.4178  29.736  3.4225  1.210348       4.836855 
1 1 1 -20 -17 28 o 68.164  2.2044  643.836   40.215    617.996   57.052    669.352   56.694    66.750  3.1910  69.578  3.0421  -2.827423      4.408751 
1 1 1 -20 -17 29 o 13.449  3.2119  23.266    14.727    37.715    20.691    8.4310    20.966    15.928  4.5955  10.971  4.4885  4.957659       6.423781 
1 1 1 -20 -17 30 o 54.252  2.2318  411.730   32.244    436.107   45.631    387.421   45.568    55.932  3.0575  52.573  3.2520  3.358826       4.463579 
1 1 1 -20 -17 31 o 35.240  2.4621  177.147   22.634    208.387   32.310    147.043   31.717    38.503  3.1608  31.976  3.7760  6.526833       4.924291 
1 1 1 -20 -17 32 o 35.635  2.4721  181.282   23.113    206.547   33.043    157.080   32.340    38.228  3.2582  33.042  3.7188  5.186077       4.944169 
1 1 1 -20 -17 33 o 27.911  5.1706  120.229   37.230    0.0000    0.0000    120.229   37.230    ?       ?       27.911  5.1706  ?              ?        
1 1 1 -20 -17 34 o 14.341  4.1782  14.531    19.419    9.1173    21.071    45.053    50.030    10.943  4.4910  17.739  7.0469  -6.796459      8.356305 
1 1 1 -20 -17 35 o 8.8678  2.8571  -11.2863  15.367    -0.9531   20.425    -24.7659  23.329    9.5546  4.1840  8.1809  3.8918  1.373705       5.714184 
1 1 1 -20 -17 36 o 28.926  3.0395  125.862   22.827    128.969   32.303    122.764   32.261    29.333  4.2340  28.519  4.3620  0.8140049      6.078939 
1 1 1 -20 -17 37 o 19.405  3.7530  61.773    20.246    71.022    28.608    52.493    28.657    20.959  5.1361  17.851  5.4736  3.108536       7.505994 
1 1 1 -20 -17 38 o 23.707  3.5246  91.218    21.638    96.341    29.746    85.462    31.534    24.688  4.6695  22.727  5.2809  1.960569       7.049255 
1 1 1 -20 -16 1  o 49.699  2.0087  337.278   26.599    321.596   37.761    352.720   37.473    48.523  2.9190  50.875  2.7602  -2.352940      4.017402 
1 1 1 -20 -16 2  o 37.798  1.9867  195.218   19.936    181.956   28.058    208.739   28.330    36.472  2.8961  39.125  2.7203  -2.653355      3.973331 
1 1 1 -20 -16 3  o 28.842  2.1181  114.940   16.010    103.473   23.032    125.661   22.270    27.376  3.2014  30.307  2.7742  -2.930914      4.236184 
1 1 1 -20 -16 4  o 47.608  2.0010  309.118   25.326    282.099   35.737    336.380   35.897    45.474  2.9500  49.742  2.7044  -4.268387      4.002030 
1 1 1 -20 -16 5  o 28.672  2.1356  112.990   16.136    110.187   23.157    115.636   22.497    28.302  3.1058  29.042  2.9322  -0.7396526     4.271282 
1 1 1 -20 -16 6  o 20.544  2.4890  59.056    13.194    62.146    19.081    56.224    18.265    21.074  3.5032  20.014  3.5366  1.060642       4.977925 
1 1 1 -20 -16 7  o 78.775  2.1984  843.406   46.384    838.976   65.719    847.803   65.475    78.563  3.1231  78.986  3.0948  -0.4226608     4.396764 
1 1 1 -20 -16 8  o 70.121  2.1061  667.293   39.556    664.601   55.847    670.003   56.035    69.979  2.9795  70.263  2.9775  -0.2844849     4.212202 
1 1 1 -20 -16 9  f 56.673  1.9986  435.714   30.273    419.722   42.512    452.167   43.120    55.573  2.8658  57.773  2.7865  -2.200550      3.997156 
1 1 1 -20 -16 10 o 49.546  1.9852  333.549   26.234    329.691   36.757    337.554   37.454    49.256  2.7976  49.837  2.8174  -0.5807266     3.970394 
1 1 1 -20 -16 11 o 45.663  1.9888  283.682   24.190    289.189   33.839    277.927   34.595    46.133  2.7510  45.194  2.8728  0.9398308      3.977557 
1 1 1 -20 -16 12 o 48.609  1.9955  321.182   25.866    320.944   36.324    321.427   36.842    48.595  2.8026  48.622  2.8413  -0.2684402E-01 3.990899 
1 1 1 -20 -16 13 o 77.013  2.1705  805.446   44.769    816.539   63.294    794.341   63.332    77.551  3.0471  76.474  3.0918  1.076759       4.340981 
1 1 1 -20 -16 14 o 14.986  2.7832  32.266    11.791    19.548    17.242    43.439    16.161    12.432  4.2779  17.540  3.5615  -5.108766      5.566430 
1 1 1 -20 -16 15 o 35.133  2.0853  168.855   19.384    154.540   27.342    183.321   27.486    33.594  3.0727  36.672  2.8199  -3.077305      4.170503 
1 1 1 -20 -16 16 o 19.385  2.6891  53.698    13.445    75.872    19.453    33.415    18.605    23.413  3.1846  15.358  4.3339  8.054775       5.378163 
1 1 1 -20 -16 17 o 26.026  2.2884  93.553    15.593    94.043    22.576    93.107    21.561    26.075  3.3069  25.977  3.1642  0.9795570E-01  4.576850 
1 1 1 -20 -16 18 o 67.295  2.1109  616.194   37.990    579.926   53.894    652.011   53.558    65.292  3.0817  69.298  2.8855  -4.005409      4.221719 
1 1 1 -20 -16 19 o 26.660  2.3124  98.130    15.987    116.532   23.251    81.627    22.018    29.120  3.0251  24.200  3.4983  4.919289       4.624847 
1 1 1 -20 -16 20 o 27.069  3.8257  102.535   26.965    0.0000    0.0000    102.535   26.965    ?       ?       27.069  3.8257  ?              ?        
1 1 1 -20 -16 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -16 22 f 50.921  2.0190  354.099   27.420    346.722   38.924    361.365   38.632    50.379  2.8968  51.463  2.8132  -1.084713      4.038037 
1 1 1 -20 -16 23 o 9.3133  2.7631  1.5142    11.736    7.4197    17.296    -3.5254   15.977    10.243  4.1181  8.3834  3.6850  1.859828       5.526178 
1 1 1 -20 -16 24 o 33.642  2.1975  156.162   19.564    155.783   28.147    156.517   27.213    33.583  3.1665  33.700  3.0478  -0.1168861     4.394944 
1 1 1 -20 -16 25 o 10.493  2.8921  7.3114    12.265    18.912    18.052    -2.6373   16.717    12.309  4.3670  8.6774  3.7929  3.631763       5.784153 
1 1 1 -20 -16 26 o 23.765  2.6852  80.158    16.502    82.295    23.946    78.226    22.774    24.055  3.8461  23.474  3.7481  0.5811234      5.370337 
1 1 1 -20 -16 27 o 44.633  2.1466  274.891   25.499    285.566   36.521    264.737   35.619    45.491  3.0144  43.775  3.0570  1.715763       4.293213 
1 1 1 -20 -16 28 o 44.245  2.1746  272.294   25.464    243.909   36.321    299.732   35.710    41.865  3.2648  46.624  2.8735  -4.759270      4.349230 
1 1 1 -20 -16 29 o 47.047  2.1709  307.170   27.189    321.875   38.735    292.889   38.173    48.190  3.0162  45.905  3.1232  2.285152       4.341839 
1 1 1 -20 -16 30 o 47.605  2.2074  315.805   27.947    338.332   39.899    294.107   39.158    49.329  3.0345  45.882  3.2065  3.447422       4.414739 
1 1 1 -20 -16 31 o 30.904  2.6030  137.048   20.833    160.905   29.721    114.003   29.210    33.763  3.3299  28.046  4.0019  5.716635       5.206081 
1 1 1 -20 -16 32 o 34.925  2.5036  176.067   22.637    145.542   32.698    204.165   31.371    31.712  3.9340  38.137  3.0978  -6.425434      5.007301 
1 1 1 -20 -16 33 o 28.490  2.8962  119.493   21.259    135.752   30.013    103.123   30.115    30.676  3.7295  26.303  4.4321  4.373198       5.792498 
1 1 1 -20 -16 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -16 35 o 17.835  3.6026  50.286    18.280    57.449    24.772    41.722    27.088    19.245  4.8169  16.424  5.3583  2.821159       7.205180 
1 1 1 -20 -16 36 o 33.167  2.8629  162.099   24.888    154.595   34.653    170.093   35.767    32.335  4.0927  33.999  4.0044  -1.664268      5.725862 
1 1 1 -20 -16 37 o 13.907  3.7285  26.082    19.359    32.547    26.320    18.463    28.574    14.768  5.2695  13.047  5.2763  1.721065       7.456983 
1 1 1 -20 -16 38 o 16.922  3.8297  46.520    19.772    38.292    27.180    55.768    28.815    15.534  5.3697  18.309  5.4619  -2.774418      7.659337 
1 1 1 -20 -16 39 o 16.290  3.9681  44.440    21.085    38.190    29.382    51.075    30.276    15.342  5.5561  17.239  5.6669  -1.896736      7.936259 
1 1 1 -20 -15 1  o 39.231  1.9722  209.825   20.580    204.108   29.169    215.491   29.041    38.685  2.8348  39.777  2.7425  -1.091995      3.944341 
1 1 1 -20 -15 2  o 25.075  2.1591  87.075    14.024    101.647   19.943    72.821    19.724    27.251  2.7708  22.899  3.3120  4.352448       4.318133 
1 1 1 -20 -15 3  o 17.963  2.4586  46.531    11.312    33.583    16.349    58.424    15.669    15.369  3.9501  20.557  2.9285  -5.188053      4.917286 
1 1 1 -20 -15 4  o 9.6660  2.4445  9.8843    8.6247    0.3004    13.159    17.103    11.420    8.1245  3.4558  11.208  3.4584  -3.083121      4.889068 
1 1 1 -20 -15 5  f 78.248  2.1647  830.780   45.368    832.766   64.193    828.798   64.129    78.342  3.0592  78.153  3.0635  0.1883011      4.329373 
1 1 1 -20 -15 6  o 51.303  1.9646  357.588   26.862    375.204   37.835    339.683   38.145    52.602  2.6944  50.004  2.8599  2.598289       3.929207 
1 1 1 -20 -15 7  o 33.292  2.0064  151.358   17.634    134.397   24.778    168.765   25.102    31.354  2.9865  35.230  2.6803  -3.875664      4.012860 
1 1 1 -20 -15 8  o 47.295  1.9776  304.039   24.908    314.065   34.780    293.484   35.687    48.118  2.7096  46.471  2.8813  1.647217       3.955192 
1 1 1 -20 -15 9  o 53.583  1.9770  389.496   28.274    391.464   39.805    387.493   40.168    53.724  2.7756  53.441  2.8161  0.2838135      3.954056 
1 1 1 -20 -15 10 o 22.970  2.2818  73.019    13.637    75.030    19.064    70.912    19.516    23.320  3.1312  22.619  3.3200  0.7014275      4.563663 
1 1 1 -20 -15 11 o 23.385  2.3230  76.007    13.992    63.728    19.667    88.592    19.911    21.365  3.5620  25.405  2.9828  -4.039553      4.645972 
1 1 1 -20 -15 12 o 65.059  2.0346  572.936   35.453    567.546   49.815    578.468   50.466    64.750  2.8723  65.367  2.8824  -0.6176147     4.069195 
1 1 1 -20 -15 13 o 78.188  2.1709  829.110   45.448    852.091   64.205    806.032   64.342    79.289  3.0232  77.087  3.1162  2.201408       4.341714 
1 1 1 -20 -15 14 o 22.979  2.4065  73.300    14.270    84.117    20.530    63.190    19.849    24.701  3.1767  21.256  3.6158  3.444685       4.812987 
1 1 1 -20 -15 15 o 33.139  2.0735  151.347   17.953    125.448   25.568    176.539   25.216    30.233  3.2063  36.045  2.6300  -5.812021      4.146965 
1 1 1 -20 -15 16 o 76.782  2.1539  799.952   44.260    841.372   62.826    759.142   62.362    78.778  2.9775  74.787  3.1132  3.991005       4.307827 
1 1 1 -20 -15 17 o 30.061  2.1183  124.033   16.780    116.181   24.005    131.536   23.465    29.090  3.1301  31.033  2.8550  -1.942930      4.236534 
1 1 1 -20 -15 18 o 23.439  2.3166  76.026    14.137    78.428    20.465    73.834    19.552    23.794  3.3001  23.085  3.2522  0.7089806      4.633278 
1 1 1 -20 -15 19 o 50.802  1.9652  350.874   26.626    345.386   38.049    356.140   37.274    50.398  2.8301  51.206  2.7274  -0.8082466     3.930461 
1 1 1 -20 -15 20 o 58.799  2.0136  469.042   31.706    469.028   45.306    469.057   44.386    58.790  2.8772  58.808  2.8179  -0.1755524E-01 4.027200 
1 1 1 -20 -15 21 o 28.296  2.1828  110.014   16.251    113.087   23.759    107.312   22.278    28.657  3.1472  27.936  3.0256  0.7205505      4.365663 
1 1 1 -20 -15 22 o 32.604  2.9709  145.746   25.660    0.0000    0.0000    145.746   25.660    ?       ?       32.604  2.9709  ?              ?        
1 1 1 -20 -15 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -15 24 o 34.526  2.1634  164.252   19.748    155.917   28.390    172.066   27.488    33.631  3.1898  35.421  2.9234  -1.790524      4.326735 
1 1 1 -20 -15 25 o 43.572  2.0974  260.163   24.316    264.516   35.154    256.169   33.669    43.909  3.0072  43.236  2.9246  0.6735039      4.194777 
1 1 1 -20 -15 26 o 32.533  2.2756  146.589   19.563    143.364   27.750    149.776   27.583    32.157  3.2672  32.908  3.1685  -0.7507553     4.551233 
1 1 1 -20 -15 27 o 12.883  3.0963  21.121    13.224    11.830    18.746    30.325    18.659    11.184  4.3523  14.583  4.4054  -3.398720      6.192676 
1 1 1 -20 -15 28 o 35.868  2.2929  179.699   21.627    159.057   30.891    199.544   30.288    33.730  3.4687  38.007  2.9996  -4.276951      4.585799 
1 1 1 -20 -15 29 o 31.286  2.4237  138.372   19.759    121.002   28.437    154.586   27.475    29.231  3.7161  33.341  3.1125  -4.110579      4.847368 
1 1 1 -20 -15 30 o 54.930  2.2251  420.518   32.454    381.459   46.260    458.370   45.541    52.292  3.3201  57.568  2.9635  -5.276806      4.450283 
1 1 1 -20 -15 31 o 43.873  2.2644  269.862   26.333    254.617   38.033    283.898   36.495    42.581  3.3621  45.166  3.0343  -2.585014      4.528898 
1 1 1 -20 -15 32 f 13.461  3.3890  24.259    15.455    27.665    21.601    20.687    22.122    14.019  4.7894  12.902  4.7960  1.116735       6.777922 
1 1 1 -20 -15 33 f 21.674  3.0914  73.581    18.688    21.617    26.235    127.118   26.629    13.459  5.1731  29.889  3.3860  -16.42971      6.182721 
1 1 1 -20 -15 34 o 7.6916  2.5720  -20.3194  14.055    -14.6267  18.783    -27.5635  21.188    7.8605  3.6608  7.5226  3.6136  0.3378797      5.143913 
1 1 1 -20 -15 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -15 36 o 29.886  3.0127  132.874   23.420    128.387   33.089    137.379   33.154    29.315  4.3456  30.456  4.1739  -1.141060      6.025448 
1 1 1 -20 -15 37 o 15.648  3.7193  33.797    19.726    13.282    26.577    58.961    29.435    12.234  5.0349  19.062  5.4757  -6.828259      7.438667 
1 1 1 -20 -15 38 o 12.636  3.5849  14.898    18.925    2.4359    25.465    30.273    28.284    10.787  4.6990  14.486  5.4154  -3.698946      7.169900 
1 1 1 -20 -15 39 o 30.472  3.2977  145.216   25.836    168.106   37.163    123.804   35.944    33.158  4.2846  27.785  5.0142  5.372707       6.595401 
1 1 1 -20 -15 40 o 15.715  4.0046  41.396    21.524    36.295    29.246    47.422    31.791    14.937  5.5219  16.493  5.8013  -1.556279      8.009164 
1 1 1 -20 -14 1  o 78.158  2.1600  828.986   45.217    830.201   64.266    827.795   63.633    78.210  3.0678  78.106  3.0417  0.1046219      4.320080 
1 1 1 -20 -14 2  f 21.379  2.2237  63.232    12.318    69.714    17.748    57.208    17.110    22.481  3.0242  20.277  3.2608  2.203915       4.447319 
1 1 1 -20 -14 3  o 45.468  1.9171  280.641   23.228    270.049   32.876    291.200   32.823    44.596  2.7659  46.340  2.6555  -1.744034      3.834268 
1 1 1 -20 -14 4  o 120.653 2.7168  1986.42   87.797    1996.48   124.691   1976.53   123.645   120.952 3.8488  120.354 3.8355  0.5981598      5.433677 
1 1 1 -20 -14 5  o 20.908  2.4639  61.449    13.206    52.263    18.879    70.253    18.481    19.261  3.7943  22.556  3.1445  -3.294256      4.927900 
1 1 1 -20 -14 6  o 94.448  2.3517  1210.82   59.492    1219.78   84.371    1201.95   83.901    94.796  3.3228  94.099  3.3288  0.6976547      4.703459 
1 1 1 -20 -14 7  o 48.983  1.9465  325.389   25.371    297.129   35.576    354.639   36.193    46.789  2.8523  51.176  2.6494  -4.387287      3.892992 
1 1 1 -20 -14 8  f 56.420  1.9634  430.697   29.616    419.568   41.654    442.076   42.118    55.643  2.8038  57.197  2.7492  -1.553436      3.926769 
1 1 1 -20 -14 9  f 81.724  2.1841  904.560   47.801    881.436   67.403    927.957   67.800    80.664  3.1197  82.784  3.0577  -2.119804      4.368289 
1 1 1 -20 -14 10 o 69.635  2.0612  655.990   38.440    662.438   54.097    649.414   54.631    69.988  2.8858  69.282  2.9439  0.7051315      4.122444 
1 1 1 -20 -14 11 o 43.053  1.9202  251.349   22.027    250.561   30.911    252.163   31.397    42.987  2.6983  43.118  2.7327  -0.1309929     3.840396 
1 1 1 -20 -14 12 o 26.878  2.1550  99.019    15.236    99.216    21.821    98.832    21.284    26.897  3.0846  26.859  3.0103  0.3778458E-01  4.310086 
1 1 1 -20 -14 13 f 29.825  2.0452  121.407   16.132    122.416   22.955    120.422   22.676    29.948  2.8979  29.703  2.8867  0.2450333      4.090381 
1 1 1 -20 -14 14 o 67.367  2.0576  614.133   37.115    595.802   52.443    632.529   52.535    66.350  2.9509  68.384  2.8681  -2.034180      4.115114 
1 1 1 -20 -14 15 o 74.751  2.1162  756.813   42.356    735.034   59.972    778.489   59.830    73.665  3.0395  75.838  2.9454  -2.172272      4.232445 
1 1 1 -20 -14 16 f 49.540  1.9504  333.363   25.723    310.746   36.509    355.656   36.247    47.840  2.8623  51.240  2.6501  -3.399693      3.900760 
1 1 1 -20 -14 17 o 54.711  1.9491  405.678   28.485    390.724   40.537    420.265   40.035    53.664  2.8302  55.759  2.6806  -2.095940      3.898141 
1 1 1 -20 -14 18 o 17.747  2.5346  47.345    12.206    15.214    17.511    77.708    17.023    11.673  4.2798  23.821  2.7165  -12.14850      5.069146 
1 1 1 -20 -14 19 o 12.542  2.8433  20.747    10.958    26.193    15.741    15.626    15.265    13.706  4.0239  11.379  4.0181  2.326272       5.686524 
1 1 1 -20 -14 20 o 22.830  2.3980  72.377    14.196    73.294    20.716    71.565    19.493    22.948  3.4793  22.712  3.3008  0.2357731      4.795951 
1 1 1 -20 -14 21 o 30.141  2.1595  124.526   17.175    131.977   24.592    117.430   23.999    31.043  2.9948  29.239  3.1122  1.803862       4.319099 
1 1 1 -20 -14 22 o 41.953  2.0058  240.870   22.295    219.513   32.009    260.993   31.071    40.088  3.0029  43.818  2.6600  -3.730526      4.011598 
1 1 1 -20 -14 23 o 22.228  2.5590  69.009    14.680    75.900    21.455    62.943    20.130    23.308  3.5487  21.147  3.6880  2.160521       5.118081 
1 1 1 -20 -14 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -14 25 o 34.938  3.0639  167.727   28.382    167.727   28.382    0.0000    0.0000    34.938  3.0639  ?       ?       ?              ?        
1 1 1 -20 -14 26 o 12.335  3.0684  17.557    12.984    8.7141    17.781    27.658    19.003    10.546  4.1974  14.124  4.4770  -3.577607      6.136897 
1 1 1 -20 -14 27 o 44.062  2.1287  267.102   24.933    255.126   35.631    278.592   34.901    43.051  3.1109  45.073  2.9064  -2.021385      4.257368 
1 1 1 -20 -14 28 o 37.705  2.2195  196.471   22.201    197.618   31.943    195.400   30.877    37.795  3.1850  37.615  3.0920  0.1796303      4.439044 
1 1 1 -20 -14 29 o 30.643  2.4291  131.701   19.532    122.301   27.775    140.897   27.473    29.487  3.5908  31.800  3.2722  -2.312250      4.858135 
1 1 1 -20 -14 30 o 32.736  2.4201  150.397   20.875    146.819   30.065    153.728   29.008    32.310  3.5316  33.163  3.3099  -0.8530045     4.840246 
1 1 1 -20 -14 31 o 11.436  3.1369  13.115    13.730    10.848    18.805    15.703    20.094    10.948  4.3294  11.925  4.5407  -0.9771690     6.273859 
1 1 1 -20 -14 32 o 11.183  3.1191  8.8796    14.416    -2.9357   19.836    22.106    20.987    9.3234  4.1019  13.042  4.6999  -3.718656      6.238146 
1 1 1 -20 -14 33 o 15.303  2.9481  25.128    16.436    -14.8104  22.542    70.457    24.016    8.8078  4.0703  21.798  4.2660  -12.99045      5.896266 
1 1 1 -20 -14 34 o 14.071  3.5594  26.161    17.127    18.205    23.004    36.055    25.654    12.566  4.8404  15.576  5.2199  -3.010084      7.118793 
1 1 1 -20 -14 35 o 15.727  3.4713  36.674    18.056    56.728    24.297    11.937    26.985    19.196  4.7511  12.259  5.0624  6.937454       6.942647 
1 1 1 -20 -14 36 o 30.797  5.1489  146.665   40.973    146.665   40.973    0.0000    0.0000    30.797  5.1489  ?       ?       ?              ?        
1 1 1 -20 -14 37 o 38.943  2.7106  220.884   27.876    233.941   39.889    208.420   38.973    40.139  3.7537  37.748  3.9114  2.391441       5.421226 
1 1 1 -20 -14 38 o 37.599  3.2430  220.242   29.558    302.210   41.900    139.042   41.703    45.800  3.4407  29.399  5.4981  16.40133       6.485958 
1 1 1 -20 -14 39 o 27.701  3.0616  119.840   19.788    109.549   35.627    124.432   23.797    25.964  5.3022  29.438  3.0629  -3.473949      6.123289 
1 1 1 -20 -14 40 o 16.935  3.4001  43.328    15.058    57.944    27.884    37.312    17.890    18.486  5.3352  15.384  4.2163  3.101240       6.800153 
1 1 1 -20 -13 1  o 47.559  1.9070  306.775   24.181    318.339   34.217    295.240   34.176    48.469  2.6457  46.650  2.7473  1.818665       3.814054 
1 1 1 -20 -13 2  o 23.977  2.2200  80.230    13.579    62.252    19.208    98.192    19.199    21.130  3.5174  26.824  2.7093  -5.693733      4.439906 
1 1 1 -20 -13 3  o 72.221  2.0727  705.672   40.094    711.549   56.788    699.831   56.615    72.523  2.9234  71.919  2.9390  0.6034622      4.145370 
1 1 1 -20 -13 4  o 63.976  1.9775  553.103   33.883    542.749   47.809    563.551   48.026    63.371  2.8167  64.582  2.7764  -1.211338      3.954990 
1 1 1 -20 -13 5  o 26.435  2.1432  95.801    14.854    87.375    20.828    104.522   21.191    25.212  3.1531  27.658  2.9038  -2.445763      4.286479 
1 1 1 -20 -13 6  o 108.948 2.5262  1611.92   73.704    1654.94   104.621   1569.54   103.850   110.406 3.5379  107.490 3.6070  2.915482       5.052425 
1 1 1 -20 -13 7  o 58.078  1.9627  455.432   30.519    437.993   42.885    473.326   43.441    56.945  2.8116  59.210  2.7392  -2.265114      3.925331 
1 1 1 -20 -13 8  o 13.714  2.5409  26.656    9.5988    20.131    13.932    32.552    13.243    12.218  3.8282  15.210  3.3420  -2.992301      5.081758 
1 1 1 -20 -13 9  o 50.937  1.9106  351.096   25.969    349.669   36.381    352.579   37.082    50.835  2.6814  51.039  2.7224  -0.2036858     3.821124 
1 1 1 -20 -13 10 o 45.097  1.9119  275.520   22.980    280.363   32.267    270.536   32.734    45.509  2.6587  44.685  2.7483  0.8236885      3.823833 
1 1 1 -20 -13 11 o 75.724  2.1111  775.172   42.818    768.062   60.420    782.344   60.688    75.373  2.9928  76.074  2.9784  -0.7009888     4.222244 
1 1 1 -20 -13 12 o 53.649  1.9322  389.172   27.699    403.336   39.181    375.022   39.163    54.670  2.6757  52.627  2.7882  2.042686       3.864393 
1 1 1 -20 -13 13 o 48.015  1.9019  312.164   24.359    318.035   34.414    306.269   34.482    48.474  2.6607  47.555  2.7184  0.9188499      3.803851 
1 1 1 -20 -13 14 o 36.456  1.9100  180.434   18.484    193.946   26.331    167.307   25.954    37.824  2.6151  35.088  2.7845  2.736599       3.819959 
1 1 1 -20 -13 15 o 20.304  2.3651  57.296    12.403    57.950    17.983    56.702    17.129    20.403  3.4110  20.205  3.2772  0.1982346      4.730264 
1 1 1 -20 -13 16 o 90.888  2.2901  1119.93   55.741    1102.71   79.094    1136.91   78.569    90.181  3.2745  91.594  3.2025  -1.412170      4.580214 
1 1 1 -20 -13 17 o 33.485  1.9539  152.312   17.227    178.401   24.992    128.697   23.777    36.263  2.5901  30.708  2.9262  5.554920       3.907892 
1 1 1 -20 -13 18 o 43.694  1.9278  258.913   22.444    262.656   32.168    255.362   31.330    43.999  2.7432  43.388  2.7094  0.6107788      3.855667 
1 1 1 -20 -13 19 o 14.766  2.5712  29.269    11.217    52.003    16.426    9.4013    15.355    19.313  3.2934  10.219  3.9495  9.094285       5.142446 
1 1 1 -20 -13 20 o 61.341  2.0275  509.917   33.280    490.485   47.445    528.740   46.695    60.171  2.9438  62.510  2.7889  -2.339035      4.055098 
1 1 1 -20 -13 21 o 11.687  2.8082  16.082    11.139    5.8073    15.918    25.940    15.592    9.7334  3.9375  13.640  4.0049  -3.906489      5.616309 
1 1 1 -20 -13 22 f 24.048  2.4262  81.698    14.865    66.726    21.644    95.063    20.450    21.781  3.8509  26.315  2.9522  -4.534325      4.852315 
1 1 1 -20 -13 23 f 48.161  2.0003  315.820   25.668    306.927   36.693    324.342   35.918    47.475  2.8995  48.847  2.7566  -1.371235      4.000700 
1 1 1 -20 -13 24 o 51.146  2.0035  356.078   27.304    379.722   38.946    333.224   38.290    52.841  2.7613  49.450  2.9036  3.390495       4.006922 
1 1 1 -20 -13 25 o 56.738  2.8990  438.798   43.910    0.0000    0.0000    438.798   43.910    ?       ?       56.738  2.8990  ?              ?        
1 1 1 -20 -13 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -13 27 o 18.812  2.9768  50.995    14.634    54.824    20.860    47.284    20.534    19.538  4.1160  18.086  4.3016  1.451801       5.953621 
1 1 1 -20 -13 28 o 37.172  2.2376  190.590   22.058    196.713   31.708    184.848   30.706    37.754  3.1648  36.590  3.1642  1.163506       4.475268 
1 1 1 -20 -13 29 o 19.677  3.1072  56.176    15.992    65.288    23.260    48.009    22.021    21.249  4.2356  18.105  4.5473  3.143944       6.214331 
1 1 1 -20 -13 30 o 18.220  3.1891  48.794    15.720    36.682    22.002    61.425    22.468    15.887  4.7803  20.553  4.2225  -4.666275      6.378140 
1 1 1 -20 -13 31 o 33.076  2.5098  154.333   21.829    145.358   31.188    162.953   30.563    32.053  3.7007  34.099  3.3913  -2.045719      5.019595 
1 1 1 -20 -13 32 o 33.051  2.6302  155.560   22.820    147.545   32.707    163.163   31.854    32.129  3.8791  33.972  3.5532  -1.843239      5.260444 
1 1 1 -20 -13 33 o 26.535  3.0624  103.470   20.806    84.274    28.837    124.315   30.050    23.713  4.7063  29.357  3.9195  -5.644125      6.124714 
1 1 1 -20 -13 34 o 12.525  3.4616  15.706    16.870    8.7426    22.435    24.769    25.593    11.202  4.6200  13.847  5.1563  -2.645275      6.923272 
1 1 1 -20 -13 35 o 22.417  3.4532  78.200    20.374    100.922   28.794    55.418    28.832    26.086  4.2686  18.748  5.4292  7.338057       6.906356 
1 1 1 -20 -13 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -13 37 o 11.277  3.3251  1.7333    17.159    -13.1113  22.069    24.428    27.287    8.7565  4.0398  13.798  5.2824  -5.041664      6.650120 
1 1 1 -20 -13 38 o 21.680  3.2293  84.375    17.606    40.529    31.050    105.150   21.373    16.168  5.7283  27.192  2.9836  -11.02427      6.458698 
1 1 1 -20 -13 39 o 12.027  3.2131  18.914    14.005    7.2635    26.321    23.514    16.540    11.415  4.8722  12.639  4.1902  -1.224246      6.426174 
1 1 1 -20 -13 40 f 15.956  3.4494  36.311    14.908    56.552    28.244    28.495    17.552    18.322  5.3931  13.590  4.3020  4.732515       6.898784 
1 1 1 -20 -12 1  o 98.023  2.3830  1303.45   62.564    1312.30   88.915    1294.77   88.048    98.350  3.3753  97.695  3.3648  0.6554031      4.765962 
1 1 1 -20 -12 2  o 75.577  2.1171  772.801   42.831    743.222   60.622    802.282   60.522    74.118  3.0537  77.036  2.9331  -2.918716      4.234150 
1 1 1 -20 -12 3  o 133.805 2.9334  2441.08   105.129   2465.36   149.231   2417.16   148.126   134.468 4.1433  133.141 4.1536  1.327011       5.866853 
1 1 1 -20 -12 4  o 42.695  1.8847  246.745   21.415    229.674   29.952    264.596   30.629    41.168  2.7319  44.223  2.5972  -3.055233      3.769438 
1 1 1 -20 -12 5  o 66.039  2.0002  588.804   35.355    561.550   49.843    616.403   50.158    64.490  2.8855  67.588  2.7706  -3.097832      4.000345 
1 1 1 -20 -12 6  o 81.515  2.1710  897.943   47.400    895.292   67.037    900.593   67.031    81.394  3.0749  81.637  3.0655  -0.2428589     4.341943 
1 1 1 -20 -12 7  o 45.763  1.8980  284.696   23.019    316.511   32.325    251.963   32.788    48.408  2.5016  43.117  2.8552  5.291046       3.796045 
1 1 1 -20 -12 8  o 8.5048  2.2690  6.7114    7.2283    2.5594    10.566    10.365    9.9106    7.7286  3.1770  9.2809  3.2405  -1.552287      4.538070 
1 1 1 -20 -12 9  o 32.755  1.9386  145.863   16.827    152.419   23.605    139.088   23.994    33.525  2.6503  31.986  2.8298  1.538158       3.877104 
1 1 1 -20 -12 10 f 24.216  2.0803  80.315    13.207    76.974    18.634    83.688    18.720    23.691  3.0040  24.740  2.8788  -1.048822      4.160697 
1 1 1 -20 -12 11 o 57.837  1.9271  451.208   29.845    463.293   42.135    439.040   42.279    58.621  2.6835  57.054  2.7666  1.566868       3.854292 
1 1 1 -20 -12 12 o 37.721  1.8815  192.757   18.887    193.167   26.868    192.357   26.556    37.759  2.6739  37.683  2.6478  0.7529449E-01  3.763061 
1 1 1 -20 -12 13 o 29.350  1.9645  117.277   15.252    114.186   21.654    120.321   21.486    28.954  2.8283  29.745  2.7272  -0.7915516     3.928972 
1 1 1 -20 -12 14 o 65.292  1.9813  575.325   34.648    582.010   49.150    568.722   48.851    65.671  2.7943  64.914  2.8096  0.7566986      3.962553 
1 1 1 -20 -12 15 o 87.688  2.2575  1040.87   52.997    1009.40   75.192    1071.94   74.710    86.354  3.2509  89.022  3.1332  -2.668373      4.515004 
1 1 1 -20 -12 16 o 106.941 2.5187  1552.07   72.145    1553.74   102.443   1550.43   101.618   106.993 3.5747  106.889 3.5493  0.1041870      5.037463 
1 1 1 -20 -12 17 o 54.639  1.9249  403.001   28.165    406.162   40.276    399.977   39.403    54.845  2.7417  54.433  2.7026  0.4128876      3.849752 
1 1 1 -20 -12 18 o 53.152  1.9172  381.956   27.226    400.712   38.832    363.821   38.185    54.480  2.6611  51.825  2.7608  2.655678       3.834470 
1 1 1 -20 -12 19 o 49.160  1.9316  327.264   25.315    345.313   36.295    310.164   35.327    50.491  2.6935  47.829  2.7695  2.661861       3.863268 
1 1 1 -20 -12 20 o 75.835  2.1298  778.698   43.254    797.844   61.629    760.110   60.723    76.757  2.9976  74.912  3.0263  1.845055       4.259609 
1 1 1 -20 -12 21 o 22.869  2.3628  72.482    14.024    72.440    20.389    72.520    19.319    22.840  3.4395  22.897  3.2404  -0.5728340E-01 4.725547 
1 1 1 -20 -12 22 o 70.798  2.1180  679.454   40.161    687.931   57.136    671.176   56.462    71.234  2.9946  70.361  2.9959  0.8732071      4.235927 
1 1 1 -20 -12 23 o 94.644  2.4059  1220.08   60.973    1188.29   86.289    1251.80   86.170    93.391  3.4495  95.898  3.3547  -2.507385      4.811812 
1 1 1 -20 -12 24 o 52.888  2.0620  380.909   29.077    369.206   41.417    392.283   40.832    52.065  2.9823  53.711  2.8484  -1.646282      4.124061 
1 1 1 -20 -12 25 o 47.113  2.0497  302.294   25.703    324.814   36.893    281.054   35.829    48.842  2.8323  45.385  2.9637  3.456600       4.099394 
1 1 1 -20 -12 26 o 33.951  3.0219  158.116   27.193    0.0000    0.0000    158.116   27.193    ?       ?       33.951  3.0219  ?              ?        
1 1 1 -20 -12 27 o 36.862  4.2792  190.851   41.464    190.851   41.464    0.0000    0.0000    36.862  4.2792  ?       ?       ?              ?        
1 1 1 -20 -12 28 o 55.726  2.1715  425.744   32.278    437.630   45.804    414.017   45.495    56.515  3.0370  54.937  3.1045  1.577866       4.342982 
1 1 1 -20 -12 29 o 22.081  3.0335  71.040    17.228    82.729    23.976    58.562    24.771    24.159  3.8332  20.003  4.7026  4.155727       6.066938 
1 1 1 -20 -12 30 o 24.526  3.0101  87.535    18.869    102.474   26.364    71.846    27.018    26.918  3.7592  22.134  4.7024  4.784309       6.020294 
1 1 1 -20 -12 31 f 33.151  2.5854  154.918   22.520    143.788   31.773    166.152   31.922    31.879  3.7957  34.423  3.5114  -2.543837      5.170827 
1 1 1 -20 -12 32 o 47.990  2.3802  322.564   30.311    302.091   43.434    342.000   42.320    46.403  3.5208  49.578  3.2041  -3.174522      4.760485 
1 1 1 -20 -12 33 o 25.559  3.0582  96.245    20.054    82.199    28.409    110.195   28.311    23.469  4.6833  27.648  3.9340  -4.178667      6.116367 
1 1 1 -20 -12 34 o 33.972  2.7270  166.018   24.369    161.769   34.269    170.365   34.659    33.508  3.8907  34.437  3.8220  -0.9288559     5.453914 
1 1 1 -20 -12 35 o 15.240  3.6520  34.261    17.862    38.345    24.112    29.293    26.592    15.917  5.0427  14.562  5.2839  1.355568       7.304015 
1 1 1 -20 -12 36 o 12.189  3.1700  19.071    12.853    15.974    24.267    20.278    15.153    12.367  4.9094  12.012  4.0118  0.3547449      6.340096 
1 1 1 -20 -12 37 o 44.192  3.7504  282.428   43.973    282.428   43.973    0.0000    0.0000    44.192  3.7504  ?       ?       ?              ?        
1 1 1 -20 -12 38 o 18.325  3.2308  49.861    14.826    57.786    27.139    46.490    17.701    19.032  5.1837  17.619  3.8578  1.413059       6.461676 
1 1 1 -20 -12 39 o 35.767  2.5531  184.004   22.586    193.868   39.667    179.271   27.475    35.970  4.1961  35.564  2.9097  0.4052963      5.106295 
1 1 1 -20 -12 40 o 10.294  2.9035  9.0270    13.201    -17.6103  24.626    19.767    15.637    8.8346  4.1397  11.754  4.0723  -2.919455      5.806991 
1 1 1 -20 -12 41 o 19.767  3.3163  69.694    17.110    45.246    30.579    80.837    20.645    16.225  5.6906  23.309  3.4072  -7.084768      6.632661 
1 1 1 -20 -11 1  o 23.762  2.0657  77.698    12.751    88.750    18.094    66.794    17.972    25.513  2.6883  22.010  3.1372  3.502321       4.131419 
1 1 1 -20 -11 2  o 76.395  2.6529  788.444   50.626    779.735   61.421    806.896   89.408    75.976  3.0182  76.813  4.3636  -0.8372574     5.305742 
1 1 1 -20 -11 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 11 o 10.077  4.1642  3.9761    18.277    3.9761    18.277    0.0000    0.0000    10.077  4.1642  ?       ?       ?              ?        
1 1 1 -20 -11 12 o 101.191 2.3960  1384.31   64.930    1416.10   91.936    1352.67   91.716    102.360 3.3532  100.022 3.4234  2.338097       4.792072 
1 1 1 -20 -11 13 o 79.026  2.1295  842.698   45.073    856.145   63.944    829.419   63.542    79.655  2.9971  78.396  3.0260  1.258820       4.259057 
1 1 1 -20 -11 14 o 42.398  1.8406  243.037   20.791    253.447   29.580    232.873   29.228    43.305  2.5616  41.491  2.6438  1.813690       3.681209 
1 1 1 -20 -11 15 o 59.824  1.9272  483.172   30.838    461.479   44.052    504.020   43.185    58.493  2.8118  61.156  2.6364  -2.662777      3.854398 
1 1 1 -20 -11 16 o 80.699  2.1477  879.666   46.419    887.579   66.109    871.970   65.194    81.056  3.0450  80.343  3.0295  0.7123489      4.295320 
1 1 1 -20 -11 17 o 73.153  2.0843  723.309   40.810    697.494   57.995    748.629   57.437    71.845  3.0138  74.461  2.8799  -2.615845      4.168511 
1 1 1 -20 -11 18 o 15.151  2.5424  33.176    11.206    10.668    16.304    53.332    15.428    10.663  4.0830  19.639  3.0305  -8.975802      5.084758 
1 1 1 -20 -11 19 o 53.275  1.9442  384.358   27.636    381.023   39.594    387.527   38.591    53.039  2.7969  53.511  2.7012  -0.4720573     3.888369 
1 1 1 -20 -11 20 o 75.071  2.1116  762.443   42.449    785.731   60.416    739.739   59.656    76.209  2.9598  73.932  3.0125  2.277458       4.223208 
1 1 1 -20 -11 21 o 41.610  1.9434  235.065   21.528    232.882   30.819    237.144   30.085    41.411  2.7949  41.809  2.7009  -0.3978882     3.886708 
1 1 1 -20 -11 22 o 72.720  2.1314  716.857   41.494    695.767   58.946    737.572   58.420    71.643  3.0718  73.797  2.9555  -2.153885      4.262758 
1 1 1 -20 -11 23 o 17.879  2.8503  45.374    13.622    63.708    19.702    28.584    18.854    21.352  3.5711  14.405  4.4436  6.946755       5.700680 
1 1 1 -20 -11 24 o 15.835  2.7048  35.700    12.467    12.708    17.759    58.042    17.506    11.264  4.2735  20.406  3.3168  -9.142051      5.409647 
1 1 1 -20 -11 25 o 69.911  2.1747  664.978   40.670    629.164   57.713    700.305   57.320    68.008  3.1683  71.814  2.9799  -3.806183      4.349491 
1 1 1 -20 -11 26 o 30.280  2.3953  126.901   18.782    154.048   27.127    101.907   26.029    33.518  3.0552  27.042  3.6900  6.476320       4.790616 
1 1 1 -20 -11 27 o 43.774  3.7768  265.233   43.849    0.0000    0.0000    265.233   43.849    ?       ?       43.774  3.7768  ?              ?        
1 1 1 -20 -11 28 o 34.271  3.3075  162.221   29.984    162.221   29.984    0.0000    0.0000    34.271  3.3075  ?       ?       ?              ?        
1 1 1 -20 -11 29 o 20.594  3.1033  61.871    16.660    76.127    23.519    47.512    23.603    23.146  3.9344  18.042  4.8002  5.103636       6.206604 
1 1 1 -20 -11 30 o 8.8163  2.7692  -6.3534   12.949    -10.6234  16.956    -0.3792   20.057    7.8506  3.5920  9.7819  4.2156  -1.931321      5.538412 
1 1 1 -20 -11 31 o 50.642  2.3386  355.396   31.533    370.381   45.197    341.184   44.015    51.699  3.2809  49.585  3.3334  2.114067       4.677126 
1 1 1 -20 -11 32 o 71.426  2.4037  708.816   45.981    721.138   65.165    696.597   64.890    72.062  3.3761  70.790  3.4223  1.271423       4.807331 
1 1 1 -20 -11 33 o 20.552  3.3478  64.514    18.365    82.371    25.457    45.134    26.521    23.780  4.1475  17.324  5.2563  6.456606       6.695563 
1 1 1 -20 -11 34 o 23.555  2.8950  86.088    16.228    66.726    27.680    96.228    20.032    20.897  5.0103  26.212  2.9019  -5.315548      5.789998 
1 1 1 -20 -11 35 o 10.953  2.9099  14.056    10.853    11.452    20.671    15.047    12.752    11.254  4.5100  10.652  3.6783  0.6018105      5.819764 
1 1 1 -20 -11 36 o 33.989  2.4111  161.258   20.669    177.120   35.427    153.073   25.450    34.958  3.8473  33.020  2.9072  1.937923       4.822143 
1 1 1 -20 -11 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -11 38 o 21.996  3.1477  85.923    17.484    38.044    29.346    112.272   21.769    15.825  5.5729  28.168  2.9282  -12.34260      6.295367 
1 1 1 -20 -11 39 o 17.633  3.1358  54.736    15.832    21.013    28.303    70.092    19.099    13.324  5.2979  21.943  3.3562  -8.619797      6.271553 
1 1 1 -20 -11 40 o 39.633  2.4564  218.148   24.925    272.068   42.497    189.874   30.773    42.967  3.7297  36.299  3.1978  6.667423       4.912841 
1 1 1 -20 -11 41 o 22.687  3.3350  80.133    18.588    91.550    32.800    74.732    22.560    23.305  5.3655  22.068  3.9622  1.236992       6.669918 
1 1 1 -20 -10 1  o 91.113  2.2467  1121.36   54.825    1113.80   77.798    1128.82   77.275    90.802  3.1988  91.423  3.1557  -0.6208267     4.493373 
1 1 1 -20 -10 2  o 72.713  2.0605  712.913   40.131    711.487   56.732    714.342   56.775    72.640  2.9158  72.786  2.9122  -0.1462173     4.121035 
1 1 1 -20 -10 3  o 39.223  1.8328  208.116   19.134    213.783   26.848    202.267   27.276    39.777  2.5332  38.670  2.6493  1.107098       3.665518 
1 1 1 -20 -10 4  o 42.010  1.8493  238.720   20.558    204.171   28.654    275.369   29.512    38.839  2.7727  45.180  2.4479  -6.341545      3.698604 
1 1 1 -20 -10 5  o 60.542  1.9105  493.409   30.980    491.539   43.669    495.303   43.958    60.427  2.6980  60.658  2.7056  -0.2300491     3.820964 
1 1 1 -20 -10 6  f 84.756  2.1757  968.452   49.381    943.372   69.781    993.609   69.889    83.650  3.1145  85.862  3.0389  -2.212090      4.351422 
1 1 1 -20 -10 7  o 104.955 2.4458  1487.41   68.733    1536.89   97.372    1438.27   97.034    106.707 3.4068  103.202 3.5103  3.505104       4.891695 
1 1 1 -20 -10 8  o 22.927  2.1167  72.308    12.589    81.364    17.788    63.221    17.819    24.432  2.7671  21.422  3.2039  3.009295       4.233428 
1 1 1 -20 -10 9  o 91.922  2.2897  1139.60   56.371    1153.57   79.677    1125.61   79.763    92.490  3.2163  91.354  3.2598  1.136436       4.579366 
1 1 1 -20 -10 10 o 118.346 2.6336  1893.38   83.469    1932.66   118.186   1854.30   117.900   119.581 3.6899  117.111 3.7586  2.469345       5.267129 
1 1 1 -20 -10 11 o 125.295 2.7509  2124.39   92.318    2105.58   130.648   2143.16   130.467   124.735 3.9105  125.856 3.8702  -1.121513      5.501862 
1 1 1 -20 -10 12 f 111.575 3.1649  1683.10   88.974    1713.52   155.245   1668.22   108.574   112.062 5.1722  111.088 3.6490  0.9738922      6.329770 
1 1 1 -20 -10 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -10 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -10 15 o 41.800  2.4227  237.812   24.560    237.958   29.353    237.472   44.847    41.957  2.6251  41.644  4.0728  0.3122482      4.845472 
1 1 1 -20 -10 16 o 42.367  1.8555  242.958   20.929    233.969   29.914    251.578   29.292    41.584  2.7003  43.151  2.5456  -1.566208      3.711027 
1 1 1 -20 -10 17 o 41.186  1.9036  229.662   20.871    227.709   29.990    231.495   29.063    41.007  2.7463  41.366  2.6368  -0.3587646     3.807196 
1 1 1 -20 -10 18 o 109.787 2.5257  1633.71   74.270    1640.91   105.271   1626.58   104.799   110.028 3.5720  109.547 3.5717  0.4815140      5.051349 
1 1 1 -20 -10 19 o 51.280  1.9479  356.516   26.606    339.164   38.139    372.965   37.133    50.038  2.8574  52.521  2.6482  -2.482582      3.895860 
1 1 1 -20 -10 20 o 46.497  1.9137  292.862   23.723    289.689   33.864    295.919   33.243    46.241  2.7465  46.753  2.6656  -0.5116806     3.827357 
1 1 1 -20 -10 21 o 31.998  2.0789  139.454   17.569    153.276   25.302    126.586   24.414    33.558  2.8417  30.437  3.0352  3.121071       4.157799 
1 1 1 -20 -10 22 o 21.387  2.5167  63.748    13.862    72.155    19.967    55.926    19.259    22.819  3.3680  19.955  3.7406  2.863766       5.033451 
1 1 1 -20 -10 23 o 45.174  1.9901  277.143   23.947    277.256   34.439    277.037   33.320    45.173  2.8611  45.176  2.7670  -0.2899170E-02 3.980209 
1 1 1 -20 -10 24 o 52.961  2.0742  381.226   29.300    381.534   41.938    380.933   40.952    52.973  2.9677  52.950  2.8985  0.2355194E-01  4.148319 
1 1 1 -20 -10 25 o 102.605 2.5621  1437.50   70.407    1413.56   99.528    1461.49   99.613    101.734 3.6525  103.477 3.5940  -1.742409      5.124234 
1 1 1 -20 -10 26 o 34.764  2.2368  165.749   20.569    177.017   29.333    154.849   28.850    35.958  3.0752  33.571  3.2490  2.387188       4.473577 
1 1 1 -20 -10 27 o 29.965  2.4185  124.093   19.044    131.398   27.350    117.218   26.532    30.845  3.3650  29.084  3.4747  1.761204       4.837003 
1 1 1 -20 -10 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -10 29 o 55.271  2.2547  419.736   33.195    396.698   46.944    442.774   46.945    53.709  3.2789  56.832  3.0956  -3.122963      4.509310 
1 1 1 -20 -10 30 o 16.508  3.3336  38.898    15.839    27.625    21.963    51.115    22.865    14.310  4.8296  18.707  4.5962  -4.396688      6.667141 
1 1 1 -20 -10 31 o 57.473  2.3412  457.040   35.884    460.309   50.521    453.712   50.977    57.696  3.2827  57.249  3.3389  0.4471664      4.682350 
1 1 1 -20 -10 32 f 6.8530  2.2390  -8.0925   8.9493    -18.2155  17.165    -4.3137   10.487    7.2012  3.3996  6.5047  2.9147  0.6964531      4.478045 
1 1 1 -20 -10 33 o 16.015  2.9724  35.636    12.337    45.489    21.584    30.855    15.036    17.483  4.5612  14.548  3.8125  2.935268       5.944755 
1 1 1 -20 -10 34 o 8.5178  2.5944  1.0831    9.9494    -2.8191   18.743    2.6140    11.740    9.0701  3.9890  7.9655  3.3183  1.104628       5.188731 
1 1 1 -20 -10 35 o 19.825  3.0971  54.989    15.222    72.554    27.079    46.874    18.406    21.859  4.7599  17.791  3.9639  4.067898       6.194231 
1 1 1 -20 -10 36 o 20.478  3.0515  63.261    15.596    61.645    26.335    64.134    19.356    19.948  4.9519  21.009  3.5673  -1.061272      6.103006 
1 1 1 -20 -10 37 o 17.041  3.9348  43.442    17.597    0.0000    0.0000    43.442    17.597    ?       ?       17.041  3.9348  ?              ?        
1 1 1 -20 -10 38 o 17.416  3.3302  45.944    15.220    50.452    26.659    43.765    18.538    17.830  5.2372  17.002  4.1151  0.8276157      6.660495 
1 1 1 -20 -10 39 o 12.473  3.2682  20.481    13.789    19.019    25.234    21.104    16.465    12.752  5.0239  12.194  4.1813  0.5575523      6.536322 
1 1 1 -20 -10 40 o 25.344  3.1960  105.384   19.175    81.623    33.007    117.488   23.558    22.122  5.5732  28.566  3.1301  -6.444757      6.392072 
1 1 1 -20 -10 41 o 18.000  3.3086  43.572    15.252    81.483    29.065    29.166    17.917    22.315  4.9881  13.684  4.3481  8.631025       6.617223 
1 1 1 -20 -9  1  o 91.320  2.2406  1124.91   54.800    1113.22   77.753    1136.45   77.246    90.843  3.1955  91.797  3.1417  -0.9539490     4.481218 
1 1 1 -20 -9  2  o 73.486  2.0266  727.259   39.884    714.966   56.421    739.537   56.389    72.861  2.8911  74.110  2.8407  -1.248543      4.053127 
1 1 1 -20 -9  3  o 7.9130  2.2663  3.4234    7.4938    1.0232    11.268    5.3269    10.035    7.6894  3.2305  8.1366  3.1793  -0.4472661     4.532543 
1 1 1 -20 -9  4  o 31.636  1.8392  135.877   15.396    145.465   21.548    125.877   22.006    32.804  2.4706  30.469  2.7253  2.335144       3.678405 
1 1 1 -20 -9  5  o 46.895  1.8198  296.437   22.763    286.613   31.868    306.671   32.527    46.097  2.5915  47.693  2.5555  -1.595356      3.639593 
1 1 1 -20 -9  6  o 58.460  1.8860  459.545   29.523    443.966   41.515    475.484   41.991    57.455  2.6977  59.465  2.6364  -2.010128      3.771983 
1 1 1 -20 -9  7  o 62.281  1.9508  521.939   32.503    489.571   45.751    554.925   46.185    60.323  2.8316  64.238  2.6842  -3.915157      3.901647 
1 1 1 -20 -9  8  o 101.930 2.4162  1400.75   65.963    1390.44   93.400    1411.02   93.174    101.553 3.4337  102.308 3.4001  -0.7554092     4.832307 
1 1 1 -20 -9  9  o 45.356  1.8638  278.207   22.428    311.705   31.869    245.335   31.569    48.096  2.4823  42.617  2.7809  5.478874       3.727592 
1 1 1 -20 -9  10 f 13.785  2.3851  27.029    9.2585    13.281    13.370    39.696    12.833    10.635  3.7599  16.935  2.9357  -6.299811      4.770190 
1 1 1 -20 -9  11 o 19.120  2.2695  50.503    11.184    56.337    16.143    45.118    15.509    20.227  3.0765  18.013  3.3374  2.214426       4.539074 
1 1 1 -20 -9  12 o 63.938  1.9396  549.917   33.214    558.897   47.292    541.177   46.657    64.453  2.7394  63.423  2.7466  1.030762       3.879141 
1 1 1 -20 -9  13 o 56.989  1.8808  437.096   28.693    430.255   41.083    443.610   40.091    56.549  2.7124  57.430  2.6063  -0.8810997     3.761588 
1 1 1 -20 -9  14 o 17.696  2.3873  43.534    10.894    47.449    15.791    39.978    15.049    18.482  3.3115  16.910  3.4396  1.571112       4.774575 
1 1 1 -20 -9  15 o 103.568 4.6177  1457.99   128.097   0.0000    0.0000    1457.99   128.097   ?       ?       103.568 4.6177  ?              ?        
1 1 1 -20 -9  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -9  17 o 43.139  1.8634  251.369   21.417    256.342   30.879    246.759   29.731    43.547  2.6601  42.730  2.6102  0.8173637      3.726841 
1 1 1 -20 -9  18 o 68.134  2.0203  626.112   36.864    623.338   52.523    628.804   51.752    67.981  2.8845  68.287  2.8294  -0.3065720     4.040581 
1 1 1 -20 -9  19 o 20.567  2.3972  59.822    12.503    45.635    17.920    73.279    17.453    18.005  3.8334  23.129  2.8796  -5.123829      4.794425 
1 1 1 -20 -9  20 o 77.820  2.1974  819.849   45.736    774.352   64.955    864.586   64.410    75.652  3.2056  79.987  3.0064  -4.335350      4.394761 
1 1 1 -20 -9  21 o 85.443  2.2720  988.678   51.993    980.755   73.810    996.482   73.250    85.096  3.2383  85.790  3.1877  -0.6944809     4.544036 
1 1 1 -20 -9  22 o 42.799  1.9675  248.621   22.414    246.253   32.242    250.836   31.182    42.589  2.8427  43.010  2.7208  -0.4205322     3.934941 
1 1 1 -20 -9  23 o 23.885  2.4843  79.553    15.158    97.601    21.781    62.601    21.109    26.662  3.1082  21.109  3.8764  5.553843       4.968681 
1 1 1 -20 -9  24 o 88.713  2.3359  1069.67   55.446    1129.89   78.648    1010.16   78.179    91.228  3.2186  86.197  3.3862  5.031364       4.671813 
1 1 1 -20 -9  25 o 73.875  2.2343  741.687   44.182    715.891   62.732    767.076   62.237    72.578  3.2270  75.173  3.0910  -2.595070      4.468520 
1 1 1 -20 -9  26 o 73.723  2.2524  739.224   44.475    741.921   63.161    736.572   62.637    73.854  3.1929  73.592  3.1777  0.2612991      4.504723 
1 1 1 -20 -9  27 o 58.427  2.1757  465.546   33.923    472.355   48.519    459.034   47.447    58.842  3.0893  58.012  3.0644  0.8293800      4.351316 
1 1 1 -20 -9  28 o 34.499  2.4589  166.177   22.107    142.153   31.891    188.400   30.672    31.948  3.8014  37.050  3.1198  -5.101713      4.917719 
1 1 1 -20 -9  29 o 56.533  4.3582  447.134   65.484    447.134   65.484    0.0000    0.0000    56.533  4.3582  ?       ?       ?              ?        
1 1 1 -20 -9  30 o 33.896  2.2145  162.638   18.939    143.246   30.620    174.655   24.103    32.031  3.6333  35.761  2.5328  -3.730572      4.428992 
1 1 1 -20 -9  31 o 20.516  2.8165  59.808    14.331    62.623    24.292    58.306    17.749    20.717  4.5059  20.315  3.3805  0.4018612      5.633063 
1 1 1 -20 -9  32 o 46.372  2.1463  295.489   25.870    304.100   41.576    290.049   33.047    46.774  3.3405  45.970  2.6957  0.8048134      4.292543 
1 1 1 -20 -9  33 f 20.462  2.9319  62.853    14.913    54.572    24.887    67.492    18.628    19.086  4.8564  21.839  3.2863  -2.753187      5.863831 
1 1 1 -20 -9  34 o 13.125  2.6036  10.375    11.368    54.823    20.597    -9.0984   13.633    19.296  4.1110  6.9538  3.1961  12.34213       5.207183 
1 1 1 -20 -9  35 o 32.821  2.4055  150.956   20.131    160.246   33.345    145.628   25.252    33.391  3.7957  32.251  2.9561  1.140186       4.811050 
1 1 1 -20 -9  36 o 18.312  3.1897  47.702    14.757    62.234    26.280    41.009    17.834    20.068  4.9257  16.556  4.0540  3.511955       6.379416 
1 1 1 -20 -9  37 o 22.619  3.1054  77.988    17.054    74.118    29.834    79.867    20.785    21.700  5.2008  23.538  3.3948  -1.838457      6.210708 
1 1 1 -20 -9  38 o 7.1249  3.4645  -32.8959  21.008    -32.8959  21.008    0.0000    0.0000    7.1249  3.4645  ?       ?       ?              ?        
1 1 1 -20 -9  39 o 15.240  3.3980  35.086    14.875    37.625    26.067    33.861    18.114    15.593  5.2616  14.886  4.3011  0.7068501      6.795918 
1 1 1 -20 -9  40 o 20.192  3.1997  74.700    17.268    31.019    30.572    95.164    20.926    14.674  5.5976  25.710  3.1014  -11.03557      6.399394 
1 1 1 -20 -9  41 o 15.380  3.4149  39.909    15.850    24.712    30.078    45.752    18.649    13.639  5.4493  17.121  4.1172  -3.481714      6.829814 
1 1 1 -20 -8  1  o 52.286  1.8308  367.580   25.639    365.337   36.145    369.852   36.373    52.125  2.5889  52.446  2.5892  -0.3210335     3.661504 
1 1 1 -20 -8  2  o 105.075 2.4373  1488.52   68.595    1501.05   97.275    1476.14   96.744    105.515 3.4419  104.634 3.4519  0.8813782      4.874658 
1 1 1 -20 -8  3  o 80.901  2.0859  880.670   45.201    878.519   63.986    882.812   63.861    80.802  2.9565  81.001  2.9435  -0.1988602     4.171898 
1 1 1 -20 -8  4  o 96.437  2.2998  1252.46   59.401    1236.32   84.095    1268.53   83.917    95.813  3.2769  97.061  3.2279  -1.248169      4.599666 
1 1 1 -20 -8  5  o 82.078  2.1422  906.499   47.091    891.086   66.609    921.900   66.584    81.377  3.0559  82.779  3.0030  -1.401756      4.284478 
1 1 1 -20 -8  6  o 58.306  1.8990  458.358   29.486    410.162   41.527    507.364   41.874    55.161  2.8201  61.451  2.5441  -6.290714      3.798057 
1 1 1 -20 -8  7  o 73.830  2.0612  733.117   40.755    720.076   57.649    746.148   57.623    73.171  2.9415  74.489  2.8881  -1.318550      4.122316 
1 1 1 -20 -8  8  o 126.219 2.7555  2149.57   93.155    2138.93   132.016   2160.14   131.467   125.904 3.9147  126.535 3.8790  -0.6312943     5.511026 
1 1 1 -20 -8  9  o 10.644  2.5129  13.922    8.7783    6.8585    12.933    19.957    11.953    9.2361  3.6093  12.052  3.4974  -2.816302      5.025817 
1 1 1 -20 -8  10 o 40.896  1.8410  226.351   19.976    204.198   28.356    248.176   28.145    38.879  2.7405  42.913  2.4589  -4.033817      3.681909 
1 1 1 -20 -8  11 o 74.818  2.0476  752.815   41.031    761.064   58.471    744.813   57.591    75.221  2.9021  74.415  2.8894  0.8060303      4.095214 
1 1 1 -20 -8  12 o 82.438  2.1420  914.436   47.275    954.932   67.376    875.165   66.349    84.242  2.9860  80.635  3.0720  3.606293       4.284071 
1 1 1 -20 -8  13 o 72.401  2.0160  705.040   39.088    724.464   55.692    686.181   54.876    73.386  2.8333  71.416  2.8687  1.969269       4.032047 
1 1 1 -20 -8  14 o 67.185  1.9745  607.205   35.530    611.967   50.625    602.583   49.877    67.443  2.8025  66.926  2.7824  0.5168762      3.949094 
1 1 1 -20 -8  15 o 27.793  2.0060  106.296   14.504    90.152    20.982    121.071   20.073    25.683  3.1137  29.902  2.5300  -4.218550      4.011961 
1 1 1 -20 -8  16 o 49.205  1.8244  326.314   23.950    338.979   34.390    314.384   33.375    50.135  2.5696  48.274  2.5906  1.860760       3.648837 
1 1 1 -20 -8  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -8  18 o 83.424  2.7508  912.613   56.758    864.126   67.604    1028.41   104.476   80.016  3.1543  86.833  4.5075  -6.816376      5.501603 
1 1 1 -20 -8  19 o 49.479  1.9336  331.345   25.491    320.018   36.576    342.044   35.546    48.639  2.8196  50.319  2.6467  -1.680359      3.867212 
1 1 1 -20 -8  20 o 70.633  2.0918  674.181   39.535    645.226   56.219    702.509   55.607    69.116  3.0368  72.150  2.8774  -3.034088      4.183506 
1 1 1 -20 -8  21 o 41.455  1.9832  232.701   21.798    262.211   31.489    205.546   30.206    44.008  2.6842  38.902  2.9202  5.105793       3.966425 
1 1 1 -20 -8  22 o 62.049  2.0586  520.178   34.205    535.898   48.962    505.193   47.804    62.966  2.9031  61.133  2.9195  1.833656       4.117200 
1 1 1 -20 -8  23 o 82.227  2.2709  916.741   49.971    966.448   71.046    868.072   70.300    84.455  3.1407  79.999  3.2809  4.456100       4.541793 
1 1 1 -20 -8  24 o 18.828  2.8387  50.454    13.909    41.451    19.673    59.451    19.667    17.065  4.3044  20.591  3.7020  -3.525555      5.677362 
1 1 1 -20 -8  25 o 81.527  2.3151  904.529   50.398    990.179   71.546    820.171   71.004    85.415  3.1273  77.639  3.4144  7.776352       4.630122 
1 1 1 -20 -8  26 o 63.542  2.2029  549.212   37.421    563.765   53.021    534.768   52.823    64.432  3.0723  62.653  3.1578  1.778870       4.405786 
1 1 1 -20 -8  27 o 48.181  2.1992  317.012   28.230    317.161   39.899    316.863   39.948    48.193  3.1074  48.169  3.1129  0.2428818E-01  4.398464 
1 1 1 -20 -8  28 o 57.714  2.0241  449.096   30.914    481.076   47.840    426.170   40.506    59.380  3.0178  56.047  2.6982  3.333023       4.048145 
1 1 1 -20 -8  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -8  30 o 20.928  2.6345  57.204    13.788    92.770    22.993    37.236    17.229    25.778  3.4142  16.079  4.0132  9.698965       5.268982 
1 1 1 -20 -8  31 o 47.339  2.2142  317.529   26.807    270.856   42.244    348.996   34.686    44.116  3.6066  50.563  2.5696  -6.447926      4.428333 
1 1 1 -20 -8  32 o 43.462  2.1296  253.834   24.271    303.332   38.585    221.427   31.221    46.855  3.0919  40.069  2.9294  6.786293       4.259204 
1 1 1 -20 -8  33 o 29.320  2.3119  114.906   17.355    145.800   28.984    97.636    21.670    32.226  3.4096  26.415  3.1232  5.811049       4.623831 
1 1 1 -20 -8  34 o 24.557  2.6193  80.847    16.136    112.552   27.340    63.901    19.988    28.061  3.7299  21.053  3.6784  7.007524       5.238618 
1 1 1 -20 -8  35 o 35.095  2.3772  174.991   21.209    170.896   34.746    177.423   26.775    34.493  3.8253  35.697  2.8234  -1.204311      4.754450 
1 1 1 -20 -8  36 o 8.5568  2.4005  -3.7154   10.947    -47.9997  19.443    16.838    13.246    6.0108  2.9971  11.103  3.7507  -5.091986      4.801073 
1 1 1 -20 -8  37 o 34.483  2.4092  164.055   21.444    198.134   35.290    144.108   27.000    37.123  3.5942  31.843  3.2094  5.279783       4.818496 
1 1 1 -20 -8  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -8  39 o 9.7940  2.8962  5.3189    12.844    -10.0881  23.281    12.060    15.399    9.2429  4.2214  10.345  3.9664  -1.102247      5.792451 
1 1 1 -20 -8  40 o 11.721  3.2152  16.199    13.355    16.259    25.618    16.177    15.650    12.351  4.9956  11.092  4.0492  1.258842       6.430494 
1 1 1 -20 -8  41 o 25.974  3.3118  113.847   20.147    86.960    35.280    126.858   24.542    22.378  5.8282  29.570  3.1469  -7.192446      6.623529 
1 1 1 -20 -7  1  o 68.445  1.9713  629.971   36.134    640.968   51.009    618.894   51.193    69.048  2.7581  67.843  2.8172  1.205002       3.942555 
1 1 1 -20 -7  2  o 107.049 2.4597  1543.93   70.512    1513.30   99.879    1574.37   99.561    105.983 3.5184  108.115 3.4381  -2.131783      4.919333 
1 1 1 -20 -7  3  o 139.564 2.9604  2630.72   110.622   2553.61   156.765   2707.20   156.124   137.508 4.2563  141.621 4.1158  -4.113251      5.920820 
1 1 1 -20 -7  4  o 75.495  2.0582  766.357   41.603    740.555   58.748    792.313   58.924    74.216  2.9554  76.775  2.8654  -2.558723      4.116398 
1 1 1 -20 -7  5  o 39.721  1.8284  213.062   19.322    223.251   27.162    202.625   27.491    40.696  2.5040  38.746  2.6652  1.950710       3.656896 
1 1 1 -20 -7  6  o 124.873 2.7582  2102.42   92.239    2065.91   130.801   2138.53   130.093   123.785 3.9451  125.961 3.8559  -2.175728      5.516486 
1 1 1 -20 -7  7  f 108.579 2.5178  1588.12   73.193    1542.15   103.853   1633.49   103.172   107.007 3.6234  110.151 3.4969  -3.144394      5.035617 
1 1 1 -20 -7  8  o 75.477  2.0633  765.634   41.689    801.208   59.387    731.071   58.537    77.210  2.8716  73.745  2.9636  3.465347       4.126608 
1 1 1 -20 -7  9  o 79.206  2.0962  843.584   44.463    830.890   63.204    856.022   62.560    78.613  3.0017  79.800  2.9269  -1.187714      4.192474 
1 1 1 -20 -7  10 o 136.636 2.8919  2518.79   105.830   2557.82   150.146   2480.25   149.190   137.693 4.0711  135.580 4.1082  2.112854       5.783749 
1 1 1 -20 -7  11 o 39.271  1.8049  207.809   18.871    216.953   27.161    199.276   26.238    40.110  2.5413  38.432  2.5636  1.678013       3.609735 
1 1 1 -20 -7  12 o 32.663  1.8504  144.977   15.964    132.290   23.016    156.738   22.160    31.250  2.7788  34.075  2.4442  -2.825224      3.700764 
1 1 1 -20 -7  13 o 102.378 2.4134  1412.17   66.161    1378.60   93.788    1445.43   93.345    101.158 3.4615  103.598 3.3640  -2.439758      4.826795 
1 1 1 -20 -7  14 f 136.173 2.8891  2505.15   105.372   2537.15   149.242   2473.35   148.796   137.046 4.0657  135.300 4.1059  1.745789       5.778227 
1 1 1 -20 -7  15 o 126.425 2.8037  2159.49   94.936    2138.55   134.479   2180.30   134.041   125.807 3.9908  127.043 3.9391  -1.236298      5.607405 
1 1 1 -20 -7  16 o 39.452  1.8470  210.186   19.398    211.089   27.888    209.340   27.001    39.530  2.6492  39.375  2.5743  0.1552582      3.694004 
1 1 1 -20 -7  17 o 93.078  2.2807  1168.07   56.857    1184.44   80.728    1151.96   80.092    93.727  3.2157  92.429  3.2351  1.298035       4.561404 
1 1 1 -20 -7  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -7  19 o 45.355  2.5841  275.821   28.227    270.009   33.375    290.422   52.903    44.677  2.8032  46.033  4.3419  -1.355698      5.168207 
1 1 1 -20 -7  20 f 114.721 2.6563  1784.21   81.616    1759.81   115.524   1808.53   115.322   113.927 3.7858  115.515 3.7272  -1.588043      5.312646 
1 1 1 -20 -7  21 o 99.324  2.5036  1337.12   66.598    1318.67   94.374    1355.43   93.993    98.631  3.5723  100.018 3.5086  -1.386642      5.007154 
1 1 1 -20 -7  22 f 63.725  2.1121  548.494   36.028    576.356   51.688    522.167   50.245    65.304  2.9550  62.146  3.0185  3.157921       4.224150 
1 1 1 -20 -7  23 o 44.243  2.0862  265.626   24.552    283.859   35.287    248.518   34.182    45.731  2.8958  42.755  3.0039  2.975479       4.172421 
1 1 1 -20 -7  24 f 89.520  2.4002  1088.75   57.542    1110.10   81.287    1067.30   81.466    90.413  3.3566  88.626  3.4319  1.787888       4.800444 
1 1 1 -20 -7  25 o 77.823  2.2875  822.477   47.680    826.914   67.211    817.982   67.650    78.040  3.2154  77.605  3.2545  0.4355850      4.575017 
1 1 1 -20 -7  26 o 36.471  2.0242  181.224   19.176    181.706   30.470    180.908   24.675    36.444  3.1525  36.498  2.5399  -0.5443954E-01 4.048388 
1 1 1 -20 -7  27 o 86.516  2.2957  1018.82   52.958    1021.84   78.745    1016.33   71.557    86.566  3.3961  86.466  3.0897  0.1003571      4.591314 
1 1 1 -20 -7  28 o 45.616  2.0359  284.400   24.282    280.263   38.009    287.252   31.562    45.252  3.1556  45.980  2.5731  -0.7278061     4.071706 
1 1 1 -20 -7  29 o 40.684  2.6706  225.658   28.940    0.0000    0.0000    225.658   28.940    ?       ?       40.684  2.6706  ?              ?        
1 1 1 -20 -7  30 o 75.732  2.1881  778.189   44.196    851.009   66.359    720.139   59.248    78.868  3.1413  72.596  3.0470  6.271904       4.376281 
1 1 1 -20 -7  31 o 26.881  2.5547  105.740   16.766    86.622    27.301    117.316   21.244    24.560  4.3072  29.203  2.7483  -4.642740      5.109349 
1 1 1 -20 -7  32 o 49.854  2.1344  341.520   27.902    348.459   43.723    336.753   36.240    50.158  3.2724  49.550  2.7413  0.6078568      4.268879 
1 1 1 -20 -7  33 o 28.221  2.4868  112.866   17.712    110.343   28.840    114.393   22.444    27.760  3.9937  28.682  2.9642  -0.9226818     4.973573 
1 1 1 -20 -7  34 o 8.3194  2.6195  -4.0019   10.666    -1.6849   19.976    -4.9260   12.615    9.5138  4.1526  7.1249  3.1943  2.388879       5.239101 
1 1 1 -20 -7  35 o 51.803  2.2035  370.423   29.931    401.779   47.500    349.775   38.546    53.445  3.3349  50.161  2.8811  3.283844       4.407047 
1 1 1 -20 -7  36 o 11.926  3.1104  15.838    12.473    25.646    21.995    11.189    15.142    13.620  4.8217  10.231  3.9307  3.389017       6.220878 
1 1 1 -20 -7  37 o 43.150  2.3497  263.461   26.157    269.522   42.459    259.753   33.206    43.255  3.7004  43.046  2.8969  0.2083015      4.699433 
1 1 1 -20 -7  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -7  39 o 11.063  3.1145  9.9972    12.760    21.345    23.875    5.4593    15.098    12.949  4.9450  9.1768  3.7879  3.771992       6.229037 
1 1 1 -20 -7  40 o 17.068  3.3805  47.918    15.762    38.060    28.727    52.164    18.853    15.581  5.5110  18.554  3.9167  -2.973335      6.760990 
1 1 1 -20 -7  41 o 18.784  3.4337  54.970    16.489    65.561    29.455    50.137    19.899    19.677  5.4173  17.891  4.2207  1.786217       6.867367 
1 1 1 -20 -6  1  o 39.776  1.7933  213.605   18.980    220.871   26.489    205.939   27.209    40.483  2.4545  39.068  2.6153  1.414906       3.586672 
1 1 1 -20 -6  2  o 124.662 2.7264  2095.70   90.955    1998.98   128.814   2191.87   128.447   121.773 3.9493  127.552 3.7597  -5.778770      5.452726 
1 1 1 -20 -6  3  o 144.306 3.0321  2810.28   117.170   2748.33   166.013   2871.78   165.395   142.707 4.3432  145.905 4.2322  -3.197983      6.064214 
1 1 1 -20 -6  4  o 104.397 2.4440  1466.68   68.332    1443.45   96.820    1489.73   96.452    103.568 3.4902  105.226 3.4222  -1.657120      4.888013 
1 1 1 -20 -6  5  o 51.316  1.8255  354.277   25.004    378.273   35.508    330.672   35.216    53.082  2.4974  49.551  2.6632  3.531281       3.650945 
1 1 1 -20 -6  6  o 54.215  1.8796  395.538   27.220    378.703   38.668    412.074   38.323    53.031  2.7316  55.399  2.5826  -2.368378      3.759203 
1 1 1 -20 -6  7  o 42.672  1.8113  245.307   20.605    248.607   29.383    242.114   28.901    42.955  2.5656  42.389  2.5575  0.5658455      3.622553 
1 1 1 -20 -6  8  o 86.742  2.2037  1011.41   51.198    1014.21   72.874    1008.68   71.945    86.859  3.1323  86.626  3.1008  0.2337723      4.407500 
1 1 1 -20 -6  9  o 120.502 2.6722  1956.00   86.226    1915.30   122.344   1996.16   121.544   119.247 3.8304  121.757 3.7269  -2.509735      5.344332 
1 1 1 -20 -6  10 o 62.106  1.9020  518.051   31.634    518.334   45.164    517.779   44.321    62.121  2.7144  62.091  2.6650  0.2996445E-01  3.803930 
1 1 1 -20 -6  11 o 71.019  1.9869  678.198   37.765    652.471   53.719    703.338   53.103    69.681  2.8783  72.357  2.7400  -2.676750      3.973886 
1 1 1 -20 -6  12 o 41.484  1.8041  231.864   19.942    236.311   28.680    227.701   27.747    41.869  2.5699  41.100  2.5328  0.7687950      3.608249 
1 1 1 -20 -6  13 o 135.190 2.8695  2465.94   103.891   2518.12   147.159   2414.08   146.691   136.625 4.0213  133.755 4.0945  2.870239       5.738994 
1 1 1 -20 -6  14 o 100.744 2.4111  1366.92   65.056    1353.29   92.303    1380.37   91.706    100.240 3.4378  101.248 3.3816  -1.007256      4.822236 
1 1 1 -20 -6  15 o 136.180 2.9569  2506.11   107.840   2460.66   152.614   2551.43   152.406   134.935 4.2226  137.425 4.1405  -2.489990      5.913861 
1 1 1 -20 -6  16 o 61.533  1.9612  509.211   32.315    510.173   46.253    508.295   45.166    61.587  2.8039  61.479  2.7428  0.1077499      3.922363 
1 1 1 -20 -6  17 o 60.430  1.9475  491.231   31.515    493.967   45.096    488.618   44.060    60.592  2.7787  60.268  2.7294  0.3240433      3.894979 
1 1 1 -20 -6  18 o 73.965  2.0998  736.755   41.579    769.357   59.302    705.231   58.314    75.580  2.9294  72.350  3.0091  3.229607       4.199561 
1 1 1 -20 -6  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -6  20 o 70.853  2.0944  677.045   39.717    712.954   56.590    642.185   55.757    72.713  2.9056  68.992  3.0173  3.721565       4.188842 
1 1 1 -20 -6  21 f 87.097  2.3242  1025.85   54.219    1028.55   76.917    1023.19   76.441    87.210  3.2928  86.985  3.2809  0.2246094      4.648333 
1 1 1 -20 -6  22 o 55.986  2.0886  424.567   31.199    438.341   44.342    411.062   43.906    56.895  2.9195  55.077  2.9874  1.818020       4.177126 
1 1 1 -20 -6  23 o 55.114  2.0914  412.374   30.713    388.166   43.563    436.299   43.308    53.477  3.0540  56.751  2.8582  -3.274258      4.182852 
1 1 1 -20 -6  24 o 67.829  2.0374  619.095   36.820    652.914   55.524    592.549   49.193    69.449  2.9849  66.209  2.7739  3.240067       4.074804 
1 1 1 -20 -6  25 o 30.655  2.0613  126.678   16.473    137.909   26.021    119.166   21.281    31.745  3.0999  29.565  2.7177  2.179436       4.122519 
1 1 1 -20 -6  26 o 47.152  1.9724  300.758   24.486    310.076   37.984    294.132   32.029    47.727  2.9863  46.576  2.5774  1.150860       3.944757 
1 1 1 -20 -6  27 o 84.181  2.2814  966.394   51.150    943.260   75.950    985.597   69.196    83.180  3.4089  85.183  3.0327  -2.003159      4.562726 
1 1 1 -20 -6  28 o 17.309  2.6910  42.064    11.744    44.500    19.684    40.718    14.633    17.622  4.2252  16.996  3.3336  0.6259403      5.381949 
1 1 1 -20 -6  29 o 66.509  2.1683  605.555   38.162    589.759   57.789    617.770   50.818    65.606  3.2991  67.411  2.8144  -1.805260      4.336524 
1 1 1 -20 -6  30 o 51.655  3.2345  366.700   44.526    366.700   44.526    0.0000    0.0000    51.655  3.2345  ?       ?       ?              ?        
1 1 1 -20 -6  31 o 46.913  2.1478  304.408   26.294    292.652   41.037    312.596   34.248    46.005  3.3534  47.821  2.6846  -1.816299      4.295620 
1 1 1 -20 -6  32 o 10.194  2.8450  9.2477    11.212    1.5803    20.113    12.705    13.506    10.011  4.2656  10.378  3.7656  -0.3666506     5.689953 
1 1 1 -20 -6  33 f 19.980  2.9312  57.466    14.672    60.766    24.557    55.635    18.296    20.256  4.6275  19.704  3.5993  0.5522785      5.862485 
1 1 1 -20 -6  34 o 34.953  2.2262  165.350   20.238    200.670   32.669    143.355   25.781    37.857  3.2534  32.049  3.0396  5.807976       4.452373 
1 1 1 -20 -6  35 o 15.789  3.2119  32.750    13.644    52.965    24.752    23.925    16.353    18.629  4.8963  12.950  4.1582  5.678886       6.423793 
1 1 1 -20 -6  36 o 45.715  2.2966  292.773   27.285    305.288   43.830    284.855   34.863    46.273  3.5638  45.156  2.8977  1.116714       4.593220 
1 1 1 -20 -6  37 o 17.690  3.2646  45.638    14.940    57.020    26.087    40.082    18.225    19.087  5.0314  16.294  4.1612  2.792830       6.529169 
1 1 1 -20 -6  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -6  39 o 20.111  3.2847  61.849    16.449    65.517    29.197    60.144    19.908    20.139  5.3296  20.083  3.8410  0.5613518E-01  6.569481 
1 1 1 -20 -6  40 o 28.276  3.1537  129.372   20.963    101.088   35.575    144.417   25.946    24.809  5.4983  31.743  3.0909  -6.934242      6.307479 
1 1 1 -20 -6  41 o 20.610  3.3579  60.418    17.374    98.694    31.492    43.672    20.830    24.716  4.9298  16.503  4.5606  8.213572       6.715851 
1 1 1 -20 -5  1  o 99.332  2.3477  1327.19   62.456    1307.49   88.395    1346.82   88.257    98.592  3.3473  100.071 3.2927  -1.478996      4.695328 
1 1 1 -20 -5  2  o 33.962  1.7546  155.790   15.832    159.510   22.049    151.832   22.748    34.390  2.4089  33.533  2.5518  0.8570175      3.509159 
1 1 1 -20 -5  3  o 25.946  1.8680  91.411    12.735    102.322   18.199    80.942    17.827    27.498  2.4981  24.394  2.7779  3.103825       3.735969 
1 1 1 -20 -5  4  o 66.864  1.9521  600.354   34.930    634.620   49.742    567.019   49.061    68.750  2.7012  64.977  2.8189  3.772156       3.904233 
1 1 1 -20 -5  5  o 84.695  2.1744  963.880   49.317    960.161   70.359    967.472   69.147    84.531  3.1075  84.858  3.0422  -0.3270645     4.348746 
1 1 1 -20 -5  6  o 118.537 2.6221  1890.54   83.247    1900.91   118.544   1880.45   116.931   118.855 3.7237  118.219 3.6928  0.6365738      5.244265 
1 1 1 -20 -5  7  o 29.673  1.8664  119.909   14.571    107.789   21.054    131.049   20.186    28.191  2.8263  31.155  2.4384  -2.963816      3.732784 
1 1 1 -20 -5  8  o 82.731  2.1470  920.006   47.553    896.452   67.672    942.981   66.835    81.679  3.0932  83.783  2.9782  -2.103081      4.293925 
1 1 1 -20 -5  9  o 78.357  2.0738  824.996   43.514    808.905   61.796    840.821   61.283    77.596  2.9733  79.119  2.8918  -1.522675      4.147645 
1 1 1 -20 -5  10 o 121.812 2.6604  1997.44   86.802    1995.81   122.876   1999.05   122.638   121.761 3.7676  121.862 3.7572  -0.1005249     5.320882 
1 1 1 -20 -5  11 o 16.611  2.3560  38.378    10.114    40.148    14.572    36.733    14.048    16.989  3.3214  16.232  3.3424  0.7566891      4.712089 
1 1 1 -20 -5  12 o 139.085 2.9661  2609.08   110.464   2688.83   156.432   2529.76   156.009   141.218 4.1357  136.951 4.2530  4.267181       5.932271 
1 1 1 -20 -5  13 o 83.159  2.1405  929.595   47.645    976.205   67.853    884.262   66.918    85.221  2.9726  81.097  3.0807  4.123405       4.280992 
1 1 1 -20 -5  14 f 100.599 2.3705  1362.00   63.867    1388.54   90.653    1335.83   89.993    101.575 3.3320  99.622  3.3726  1.952492       4.740944 
1 1 1 -20 -5  15 o 77.254  2.1205  802.615   43.876    809.188   62.542    796.244   61.568    77.564  3.0104  76.944  2.9874  0.6203537      4.241094 
1 1 1 -20 -5  16 o 84.241  2.2036  955.234   49.717    947.751   70.640    962.579   69.986    83.910  3.1430  84.571  3.0896  -0.6610794     4.407259 
1 1 1 -20 -5  17 o 85.700  2.1997  988.817   50.487    1008.53   71.848    969.592   70.959    86.545  3.0994  84.855  3.1221  1.690331       4.399315 
1 1 1 -20 -5  18 o 59.468  2.0118  476.035   32.032    474.767   45.929    477.236   44.697    59.387  2.8874  59.550  2.8023  -0.1631203     4.023640 
1 1 1 -20 -5  19 o 90.186  2.3135  1097.25   55.880    1120.71   79.388    1074.20   78.669    91.146  3.2518  89.227  3.2917  1.919411       4.627075 
1 1 1 -20 -5  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -5  21 o 72.196  2.0667  704.412   39.722    691.831   59.242    714.688   53.540    71.578  3.0900  72.814  2.7452  -1.235771      4.133344 
1 1 1 -20 -5  22 o 82.865  2.2028  930.313   48.632    906.612   72.065    950.133   65.901    81.850  3.2871  83.880  2.9332  -2.030090      4.405538 
1 1 1 -20 -5  23 o 86.606  2.2363  1011.73   51.749    1065.40   76.513    966.494   70.254    88.698  3.2206  84.514  3.1035  4.183922       4.472579 
1 1 1 -20 -5  24 o 21.577  2.5071  71.548    12.879    42.550    20.349    90.928    16.636    17.299  4.3856  25.854  2.4308  -8.555496      5.014246 
1 1 1 -20 -5  25 o 77.370  2.1466  808.211   44.329    846.422   66.045    776.885   59.801    79.002  3.1211  75.739  2.9478  3.263664       4.293143 
1 1 1 -20 -5  26 o 54.624  2.0129  407.347   29.008    386.687   43.988    423.244   38.587    53.291  3.0951  55.957  2.5745  -2.666294      4.025843 
1 1 1 -20 -5  27 o 16.730  2.5356  34.387    11.619    72.148    19.209    12.602    14.591    22.813  3.2342  10.646  3.9061  12.16755       5.071283 
1 1 1 -20 -5  28 o 39.094  2.0555  208.465   21.029    210.012   32.799    207.386   27.403    39.152  3.1544  39.037  2.6363  0.1146965      4.111012 
1 1 1 -20 -5  29 o 79.798  2.2711  869.801   48.277    865.437   72.010    873.363   65.065    79.534  3.3803  80.062  3.0341  -0.5277786     4.542248 
1 1 1 -20 -5  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -5  31 o 31.571  2.2730  139.321   18.400    132.641   29.233    143.704   23.679    30.795  3.6127  32.347  2.7594  -1.552080      4.545954 
1 1 1 -20 -5  32 o 50.063  2.1550  342.551   28.343    362.696   44.488    328.787   36.772    51.192  3.2615  48.934  2.8175  2.258514       4.309959 
1 1 1 -20 -5  33 o 69.691  2.2720  671.705   42.005    673.478   63.934    670.358   55.719    69.617  3.4287  69.764  2.9818  -0.1473618     4.543916 
1 1 1 -20 -5  34 f 44.579  2.1955  270.187   25.554    310.444   41.253    245.121   32.552    47.117  3.2895  42.042  2.9086  5.074741       4.390967 
1 1 1 -20 -5  35 o 49.954  2.3077  353.799   29.793    334.867   47.393    366.169   38.308    48.527  3.6734  51.381  2.7941  -2.854504      4.615307 
1 1 1 -20 -5  36 o 21.337  3.0724  75.059    16.341    45.847    27.045    91.855    20.507    17.203  5.3245  25.472  3.0674  -8.268524      6.144855 
1 1 1 -20 -5  37 o 43.736  2.3210  270.710   26.234    275.198   42.377    267.921   33.404    43.740  3.6505  43.733  2.8675  0.7026672E-02  4.642048 
1 1 1 -20 -5  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -5  39 o 26.287  2.9582  103.243   19.108    104.933   32.481    102.349   23.629    25.985  4.8451  26.590  3.3953  -0.6045322     5.916352 
1 1 1 -20 -5  40 o 12.336  3.3824  17.101    14.860    26.703    27.200    13.015    17.741    13.864  5.2820  10.809  4.2263  3.055630       6.764708 
1 1 1 -20 -5  41 o 11.244  3.1877  14.169    14.343    4.9174    26.026    18.204    17.189    10.961  4.7627  11.527  4.2382  -0.5664330     6.375377 
1 1 1 -20 -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -4  6  o 185.031 4.3912  4495.58   207.950   4179.76   254.780   5125.83   359.911   175.865 5.4088  194.198 6.9193  -18.33253      8.782440 
1 1 1 -20 -4  7  o 186.083 3.7152  4679.45   185.066   4506.81   262.107   4851.09   261.340   182.627 5.3583  189.539 5.1478  -6.912125      7.430378 
1 1 1 -20 -4  8  o 59.569  1.8811  476.393   30.007    467.881   42.610    484.768   42.265    59.039  2.6945  60.098  2.6256  -1.059498      3.762213 
1 1 1 -20 -4  9  o 101.691 2.3681  1390.26   64.485    1355.73   91.319    1424.60   91.073    100.426 3.3949  102.955 3.3026  -2.529587      4.736280 
1 1 1 -20 -4  10 o 47.040  1.7946  297.872   22.525    295.876   32.040    299.822   31.673    46.882  2.5612  47.199  2.5144  -0.3168106     3.589196 
1 1 1 -20 -4  11 o 169.891 3.4688  3898.08   157.846   3881.92   223.239   3914.24   223.218   169.536 4.9161  170.246 4.8951  -0.7105103     6.937593 
1 1 1 -20 -4  12 o 48.878  1.8782  322.452   24.437    297.500   35.041    346.074   34.095    46.981  2.7973  50.775  2.5070  -3.793900      3.756306 
1 1 1 -20 -4  13 o 24.464  2.0370  81.438    13.085    84.472    18.844    78.612    18.185    24.910  2.8771  24.018  2.8843  0.8921967      4.073973 
1 1 1 -20 -4  14 o 117.515 2.6398  1860.17   83.088    1880.76   117.735   1839.74   117.275   118.166 3.7199  116.865 3.7465  1.300369       5.279582 
1 1 1 -20 -4  15 o 196.315 3.9216  5232.76   206.190   5149.04   291.421   5316.69   291.773   194.723 5.5875  197.908 5.5042  -3.184952      7.843192 
1 1 1 -20 -4  16 o 67.301  2.0291  609.068   36.569    607.332   52.216    610.738   51.231    67.204  2.9008  67.398  2.8379  -0.1940613     4.058120 
1 1 1 -20 -4  17 o 57.869  1.9749  450.009   30.599    465.940   43.970    435.048   42.609    58.862  2.7889  56.876  2.7969  1.985371       3.949813 
1 1 1 -20 -4  18 o 116.042 3.1634  1822.05   94.310    1815.14   117.718   1834.43   157.586   115.927 3.7911  116.157 5.0650  -0.2302322     6.326710 
1 1 1 -20 -4  19 o 70.609  2.0028  666.855   37.736    723.109   56.420    621.318   50.762    73.280  2.8745  67.938  2.7896  5.342545       4.005533 
1 1 1 -20 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -4  21 o 21.965  2.2805  68.048    12.488    60.392    20.021    72.923    15.976    20.809  3.7290  23.122  2.6263  -2.312347      4.561007 
1 1 1 -20 -4  22 o 73.849  2.0766  731.366   40.933    801.440   61.013    674.010   55.199    77.040  2.9567  70.658  2.9166  6.381950       4.153167 
1 1 1 -20 -4  23 o 31.430  1.9478  131.686   16.057    153.993   25.023    116.070   20.936    33.657  2.8012  29.204  2.7073  4.452309       3.895654 
1 1 1 -20 -4  24 o 77.029  2.1840  807.303   44.763    764.744   66.157    843.241   60.792    75.091  3.2893  78.968  2.8742  -3.876976      4.368075 
1 1 1 -20 -4  25 o 33.328  2.0171  151.409   17.514    151.182   27.417    151.566   22.764    33.251  3.1146  33.404  2.5638  -0.1531372     4.034103 
1 1 1 -20 -4  26 o 53.904  1.9626  388.882   28.101    444.150   42.679    346.587   37.336    57.280  2.7818  50.528  2.7692  6.751343       3.925186 
1 1 1 -20 -4  27 o 25.327  2.3283  92.504    14.564    73.574    22.986    105.201   18.825    22.879  3.8902  27.774  2.5593  -4.895124      4.656544 
1 1 1 -20 -4  28 f 69.927  2.1477  663.603   40.036    679.614   59.887    650.664   53.834    70.642  3.1650  69.212  2.9040  1.429932       4.295405 
1 1 1 -20 -4  29 f 37.136  2.0851  186.278   20.250    203.059   32.074    175.156   26.112    38.461  3.1409  35.810  2.7432  2.650764       4.170142 
1 1 1 -20 -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -4  31 o 36.425  2.1560  180.774   20.410    193.307   32.752    172.818   26.096    37.361  3.3071  35.490  2.7672  1.871319       4.312045 
1 1 1 -20 -4  32 o 65.194  2.2005  582.042   38.084    604.205   58.281    565.525   50.312    66.171  3.2883  64.216  2.9251  1.955452       4.401032 
1 1 1 -20 -4  33 o 50.898  2.2108  362.895   29.305    338.716   45.616    379.888   38.240    49.228  3.4819  52.568  2.7252  -3.339661      4.421625 
1 1 1 -20 -4  34 o 28.074  2.5817  114.432   18.120    103.463   29.166    121.328   23.125    26.663  4.2248  29.486  2.9684  -2.823046      5.163387 
1 1 1 -20 -4  35 f 30.367  2.8838  146.395   20.256    95.085    32.906    177.701   25.703    24.954  5.0956  35.781  2.7018  -10.82707      5.767576 
1 1 1 -20 -4  36 o 18.679  2.9623  60.808    15.611    17.521    26.023    85.142    19.511    12.838  5.0879  24.520  3.0357  -11.68207      5.924684 
1 1 1 -20 -4  37 o 15.940  3.1668  41.372    15.001    19.586    25.516    52.878    18.544    12.982  5.0706  18.899  3.7951  -5.916512      6.333549 
1 1 1 -20 -4  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -4  39 o 12.746  3.2386  22.967    13.905    13.030    25.848    27.013    16.495    12.066  4.9657  13.426  4.1588  -1.359650      6.477118 
1 1 1 -20 -4  40 o 20.529  3.3846  76.230    18.280    40.422    33.193    91.817    21.900    15.968  5.8867  25.091  3.3419  -9.123009      6.769106 
1 1 1 -20 -4  41 o 14.777  3.6017  31.962    16.265    46.843    29.380    25.386    19.531    16.578  5.5860  12.976  4.5480  3.602487       7.203308 
1 1 1 -20 -3  1  o 99.428  2.3768  1328.97   63.276    1287.45   89.470    1370.53   89.500    97.869  3.4131  100.988 3.3087  -3.119461      4.753622 
1 1 1 -20 -3  2  o 63.279  1.9031  537.590   32.248    526.034   45.767    548.985   45.447    62.602  2.7294  63.957  2.6529  -1.355091      3.806284 
1 1 1 -20 -3  3  o 103.994 2.4186  1455.30   67.276    1385.28   95.938    1523.05   94.368    101.518 3.5282  106.470 3.3091  -4.952110      4.837224 
1 1 1 -20 -3  4  o 139.427 2.9557  2617.65   110.337   2571.54   157.347   2662.26   154.765   138.206 4.2505  140.648 4.1082  -2.441071      5.911353 
1 1 1 -20 -3  5  o 173.953 3.5292  4082.13   164.414   4042.31   233.765   4121.11   231.287   173.100 5.0419  174.805 4.9398  -1.704559      7.058472 
1 1 1 -20 -3  6  o 93.841  2.2921  1182.90   57.610    1185.80   81.948    1180.06   81.006    93.953  3.2564  93.728  3.2267  0.2251663      4.584276 
1 1 1 -20 -3  7  o 78.921  4.0288  840.252   84.882    0.0000    0.0000    840.252   84.882    ?       ?       78.921  4.0288  ?              ?        
1 1 1 -20 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -3  9  o 149.566 3.0342  3015.07   121.389   3198.27   171.811   2832.46   171.530   154.131 4.1617  145.001 4.4165  9.129944       6.068391 
1 1 1 -20 -3  10 o 84.527  2.1481  959.591   48.629    975.106   68.993    944.273   68.554    85.207  3.0230  83.846  3.0525  1.360313       4.296108 
1 1 1 -20 -3  11 o 153.518 3.1665  3177.22   130.197   3217.53   184.187   3136.96   184.066   154.497 4.4509  152.539 4.5051  1.958817       6.332971 
1 1 1 -20 -3  12 o 64.964  1.9232  566.562   33.461    574.646   47.706    558.734   46.944    65.420  2.7226  64.508  2.7169  0.9117432      3.846302 
1 1 1 -20 -3  13 o 100.792 2.4268  1366.60   65.510    1350.97   92.883    1382.07   92.410    100.215 3.4603  101.369 3.4035  -1.154106      4.853606 
1 1 1 -20 -3  14 o 116.175 2.6146  1817.37   81.352    1845.81   115.235   1789.12   114.864   117.085 3.6745  115.265 3.7205  1.819717       5.229110 
1 1 1 -20 -3  15 o 40.135  2.2334  218.531   23.357    220.957   30.344    215.002   36.592    40.452  2.8181  39.817  3.4656  0.6359558      4.466784 
1 1 1 -20 -3  16 o 92.646  2.2638  1155.13   56.012    1153.80   82.402    1156.27   76.367    92.580  3.3230  92.713  3.0752  -0.1330414     4.527624 
1 1 1 -20 -3  17 o 39.390  1.9653  217.984   19.723    169.791   30.220    253.740   26.030    35.367  3.2256  43.413  2.2462  -8.046318      3.930699 
1 1 1 -20 -3  18 o 49.064  1.8588  321.488   24.178    351.077   36.859    299.140   32.033    51.022  2.7068  47.106  2.5483  3.916428       3.717599 
1 1 1 -20 -3  19 o 31.842  2.0097  142.703   16.232    113.447   24.994    164.043   21.347    28.820  3.2971  34.864  2.2988  -6.043739      4.019373 
1 1 1 -20 -3  20 o 108.859 3.4759  1600.97   101.348   0.0000    0.0000    1600.97   101.348   ?       ?       108.859 3.4759  ?              ?        
1 1 1 -20 -3  21 o 49.498  2.3503  346.315   29.544    401.429   38.701    269.330   45.740    54.591  2.6467  44.406  3.8847  10.18547       4.700675 
1 1 1 -20 -3  22 o 44.392  1.9692  271.536   22.818    236.587   34.430    298.911   30.472    41.731  3.1024  47.053  2.4261  -5.321266      3.938376 
1 1 1 -20 -3  23 o 59.620  1.9757  477.573   31.422    505.327   47.052    455.232   42.215    61.162  2.8721  58.078  2.7137  3.083927       3.951375 
1 1 1 -20 -3  24 o 36.014  2.0295  181.003   18.824    151.672   28.724    203.084   24.922    33.292  3.2631  38.735  2.4141  -5.443134      4.059035 
1 1 1 -20 -3  25 o 53.753  1.9770  390.521   28.239    399.561   42.487    383.367   37.796    54.244  2.9352  53.262  2.6493  0.9815369      3.954028 
1 1 1 -20 -3  26 o 22.847  2.3543  73.172    13.591    68.749    21.486    76.121    17.549    22.150  3.7557  23.544  2.8401  -1.393240      4.708664 
1 1 1 -20 -3  27 o 60.879  2.0989  506.643   33.802    480.664   50.775    527.322   45.300    59.360  3.2054  62.398  2.7104  -3.038353      4.197708 
1 1 1 -20 -3  28 o 74.642  2.2404  762.644   44.427    724.792   66.198    793.665   59.928    72.857  3.3922  76.427  2.9275  -3.570366      4.480776 
1 1 1 -20 -3  29 o 31.083  2.1336  129.218   17.286    156.114   27.379    111.393   22.289    33.710  3.0658  28.456  2.9681  5.254137       4.267147 
1 1 1 -20 -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -3  31 o 13.845  2.8736  27.173    11.024    26.381    18.811    27.588    13.606    13.816  4.4622  13.875  3.6221  -0.5833149E-01 5.747271 
1 1 1 -20 -3  32 o 32.385  2.3398  146.452   19.397    144.977   31.301    147.372   24.715    32.090  3.7100  32.680  2.8521  -0.5894928     4.679603 
1 1 1 -20 -3  33 o 22.481  2.9685  81.762    16.171    47.494    26.389    102.369   20.464    17.814  5.2043  27.148  2.8571  -9.334589      5.937021 
1 1 1 -20 -3  34 o 29.498  2.3795  117.614   17.934    145.652   30.062    102.123   22.345    32.049  3.5624  26.948  3.1555  5.100355       4.758964 
1 1 1 -20 -3  35 o 33.073  2.4364  152.283   20.670    168.859   34.061    142.620   26.007    34.297  3.7700  31.850  3.0873  2.447765       4.872792 
1 1 1 -20 -3  36 o 21.240  3.0518  69.092    16.017    62.542    27.212    72.563    19.812    20.034  5.0676  22.447  3.4019  -2.413025      6.103542 
1 1 1 -20 -3  37 o 23.230  3.1160  84.755    17.589    70.819    29.925    92.110    21.740    21.114  5.2996  25.347  3.2791  -4.232906      6.232027 
1 1 1 -20 -3  38 o 13.964  6.3022  -1.4578   50.032    -1.4578   50.032    0.0000    0.0000    13.964  6.3022  ?       ?       ?              ?        
1 1 1 -20 -3  39 f 32.715  2.6822  151.073   22.264    181.959   37.847    134.729   27.532    34.933  4.1245  30.496  3.4300  4.436600       5.364384 
1 1 1 -20 -3  40 o 7.9583  2.6384  -13.5408  11.791    -3.9598   23.808    -16.6544  13.572    9.7990  4.3911  6.1176  2.9263  3.681388       5.276812 
1 1 1 -20 -3  41 o 23.991  3.4196  110.291   20.763    49.099    35.478    142.169   25.607    16.713  6.0972  31.270  3.0981  -14.55705      6.839159 
1 1 1 -20 -2  1  o 72.496  2.0077  705.901   38.963    682.210   55.332    729.201   54.875    71.285  2.8980  73.707  2.7796  -2.421440      4.015481 
1 1 1 -20 -2  2  o 87.950  2.2051  1039.85   51.892    1004.57   74.217    1073.60   72.582    86.483  3.2040  89.418  3.0305  -2.935570      4.410129 
1 1 1 -20 -2  3  o 193.355 3.8545  5050.73   199.522   4904.76   283.544   5193.89   280.810   190.556 5.5553  196.154 5.3447  -5.598236      7.708945 
1 1 1 -20 -2  4  o 168.945 3.4492  3847.58   156.072   3842.45   221.988   3852.61   219.473   168.826 4.9091  169.064 4.8467  -0.2371826     6.898485 
1 1 1 -20 -2  5  o 68.836  2.0038  635.780   36.937    645.460   52.904    626.574   51.594    69.346  2.8482  68.326  2.8192  1.020554       4.007522 
1 1 1 -20 -2  6  o 80.632  2.1255  872.916   45.902    868.636   65.202    877.122   64.633    80.435  3.0264  80.830  2.9854  -0.3946838     4.251058 
1 1 1 -20 -2  7  o 35.107  1.7556  166.148   16.401    167.311   23.360    165.017   23.032    35.227  2.4917  34.986  2.4738  0.2418709      3.511193 
1 1 1 -20 -2  8  o 82.336  2.0913  910.448   46.091    950.636   65.279    870.498   65.085    84.152  2.8961  80.519  3.0178  3.633202       4.182692 
1 1 1 -20 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -2  10 o 148.056 4.5098  2972.33   178.744   3000.31   249.357   2942.77   256.353   148.806 6.2562  147.305 6.4973  1.500900       9.019686 
1 1 1 -20 -2  11 o 143.200 3.0401  2762.30   116.600   2794.58   164.952   2730.06   164.843   144.040 4.2755  142.359 4.3231  1.681442       6.080206 
1 1 1 -20 -2  12 o 123.210 2.6200  2037.48   86.259    2245.85   125.074   1848.48   119.120   129.216 3.6138  117.203 3.7945  12.01344       5.240013 
1 1 1 -20 -2  13 o 168.601 3.3668  3834.12   151.856   4110.63   218.189   3574.36   211.481   174.518 4.6677  162.685 4.8533  11.83238       6.733630 
1 1 1 -20 -2  14 o 100.817 2.3734  1370.62   63.849    1320.44   93.416    1414.61   87.470    99.059  3.5207  102.575 3.1837  -3.515961      4.746722 
1 1 1 -20 -2  15 o 68.689  1.9567  627.734   35.823    711.902   53.741    560.429   48.057    72.793  2.7563  64.585  2.7780  8.208443       3.913397 
1 1 1 -20 -2  16 o 69.418  2.0209  650.349   37.315    623.422   55.480    672.592   50.425    68.084  3.0423  70.753  2.6608  -2.668976      4.041704 
1 1 1 -20 -2  17 o 29.123  1.9411  114.786   14.771    116.491   22.835    113.560   19.368    29.282  2.9518  28.964  2.5217  0.3177128      3.882255 
1 1 1 -20 -2  18 o 110.575 2.5691  1653.65   75.874    1581.42   109.955   1719.30   104.832   108.228 3.7930  112.922 3.4660  -4.694397      5.138108 
1 1 1 -20 -2  19 o 61.386  1.9586  507.105   32.063    507.174   47.612    507.049   43.373    61.376  2.8962  61.396  2.6375  -0.2020264E-01 3.917186 
1 1 1 -20 -2  20 o 36.988  1.8764  183.352   18.334    199.166   28.025    171.522   24.241    38.363  2.7456  35.613  2.5583  2.750000       3.752720 
1 1 1 -20 -2  21 o 32.062  4.0768  141.692   34.218    141.692   34.218    0.0000    0.0000    32.062  4.0768  ?       ?       ?              ?        
1 1 1 -20 -2  22 o 103.445 2.4632  1445.98   68.170    1530.19   99.226    1370.70   93.815    106.290 3.4853  100.599 3.4817  5.690536       4.926422 
1 1 1 -20 -2  23 o 86.362  2.2946  1012.92   52.861    970.812   77.339    1049.84   72.418    84.622  3.4121  88.101  3.0689  -3.479187      4.589173 
1 1 1 -20 -2  24 o 89.879  2.3541  1099.18   56.440    1054.51   82.610    1138.28   77.292    88.100  3.5008  91.657  3.1483  -3.557480      4.708239 
1 1 1 -20 -2  25 o 107.315 2.5615  1566.35   73.538    1614.91   107.219   1523.22   101.050   108.856 3.6773  105.775 3.5667  3.080963       5.122900 
1 1 1 -20 -2  26 o 19.022  2.4693  48.760    11.934    64.955    19.029    38.260    15.322    21.598  3.4021  16.446  3.5800  5.151890       4.938680 
1 1 1 -20 -2  27 o 41.588  2.0726  239.435   22.419    215.625   34.460    256.910   29.521    39.668  3.2725  43.508  2.5443  -3.839745      4.145194 
1 1 1 -20 -2  28 o 30.499  2.1596  126.048   17.158    137.821   27.056    118.127   22.192    31.638  3.2383  29.360  2.8582  2.278477       4.319215 
1 1 1 -20 -2  29 o 22.817  2.4622  71.318    14.326    81.206    22.926    64.984    18.350    24.058  3.6744  21.575  3.2785  2.482857       4.924412 
1 1 1 -20 -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -2  31 o 29.219  2.3413  116.317   17.515    129.890   28.841    108.386   22.046    30.454  3.6058  27.985  2.9873  2.468325       4.682517 
1 1 1 -20 -2  32 o 32.644  2.3461  150.479   19.552    140.446   31.162    156.992   25.109    31.543  3.7626  33.744  2.8034  -2.201504      4.692144 
1 1 1 -20 -2  33 o 39.581  2.2046  211.753   22.720    248.938   36.871    188.989   28.848    42.238  3.2848  36.924  2.9413  5.314583       4.409234 
1 1 1 -20 -2  34 o 30.599  2.3881  129.436   18.788    145.529   30.688    119.788   23.761    31.971  3.6490  29.228  3.0816  2.743517       4.776111 
1 1 1 -20 -2  35 o 20.247  2.9320  55.414    14.825    83.602    25.861    41.616    18.093    23.785  4.2135  16.709  4.0785  7.076118       5.864085 
1 1 1 -20 -2  36 o 17.328  3.1992  47.067    14.721    39.496    25.294    50.945    18.103    16.076  5.1725  18.581  3.7665  -2.504604      6.398489 
1 1 1 -20 -2  37 o 23.988  2.9113  82.363    17.268    97.671    29.861    74.672    21.166    25.362  4.5636  22.615  3.6162  2.747135       5.822597 
1 1 1 -20 -2  38 o 17.997  5.4189  52.085    28.266    52.085    28.266    0.0000    0.0000    17.997  5.4189  ?       ?       ?              ?        
1 1 1 -20 -2  39 o 14.512  3.4624  29.272    14.703    41.101    27.851    24.702    17.312    16.086  5.4386  12.938  4.2867  3.148412       6.924878 
1 1 1 -20 -2  40 o 26.159  3.0320  100.465   19.429    120.876   34.409    90.912    23.540    27.612  4.8282  24.706  3.6688  2.906902       6.063976 
1 1 1 -20 -2  41 o 10.535  3.1004  10.167    13.620    3.7409    26.223    12.541    15.939    10.772  4.7284  10.298  4.0117  0.4737940      6.200877 
1 1 1 -20 -1  1  f 87.097  2.1820  1019.54   50.852    990.490   72.869    1047.12   70.997    85.880  3.1678  88.313  3.0014  -2.433289      4.363917 
1 1 1 -20 -1  2  o 97.023  2.3232  1265.07   60.336    1238.16   86.249    1290.86   84.436    96.006  3.3540  98.040  3.2154  -2.033821      4.646341 
1 1 1 -20 -1  3  o 235.592 4.5704  7516.03   288.404   7543.17   408.986   7489.19   406.751   236.012 6.4697  235.171 6.4574  0.8410339      9.140843 
1 1 1 -20 -1  4  o 159.792 3.2914  3438.83   140.862   3496.19   200.238   3382.63   198.195   161.114 4.6401  158.471 4.6693  2.643799       6.582764 
1 1 1 -20 -1  5  o 58.508  1.9095  459.252   29.921    464.020   42.726    454.664   41.914    58.805  2.7126  58.211  2.6883  0.5948257      3.819028 
1 1 1 -20 -1  6  o 90.302  2.2445  1095.00   54.287    1104.71   76.799    1085.30   76.748    90.703  3.1612  89.900  3.1873  0.8023911      4.489039 
1 1 1 -20 -1  7  o 193.403 3.8537  5049.38   199.609   4955.69   281.801   5143.73   282.781   191.591 5.4914  195.215 5.4081  -3.624451      7.707334 
1 1 1 -20 -1  8  o 103.507 2.4400  1439.57   67.636    1406.10   95.465    1473.30   95.841    102.296 3.4841  104.719 3.4169  -2.422577      4.880023 
1 1 1 -20 -1  9  f 94.988  2.2112  1208.85   56.191    1275.08   81.874    1149.87   77.259    97.441  3.1370  92.534  3.1171  4.906387       4.422377 
1 1 1 -20 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -1  11 o 216.063 4.1468  6317.93   239.483   6866.04   342.215   5791.89   335.254   225.321 5.6703  206.806 6.0523  18.51428       8.293561 
1 1 1 -20 -1  12 o 185.355 3.6457  4638.64   180.953   4760.66   259.216   4522.65   252.719   187.732 5.1551  182.978 5.1564  4.753342       7.291337 
1 1 1 -20 -1  13 o 125.486 2.6965  2116.10   90.558    2214.45   131.278   2026.82   125.084   128.262 3.8212  122.710 3.8057  5.551392       5.393052 
1 1 1 -20 -1  14 o 15.758  2.3734  33.097    9.6191    45.395    15.356    25.156    12.340    18.096  3.2894  13.420  3.4223  4.675984       4.746813 
1 1 1 -20 -1  15 f 75.335  2.0627  762.340   41.498    767.758   61.177    757.722   56.479    75.573  3.0222  75.096  2.8079  0.4763031      4.125310 
1 1 1 -20 -1  16 o 95.000  2.3323  1217.63   59.156    1169.60   86.142    1260.49   81.379    93.201  3.4507  96.800  3.1387  -3.598679      4.664593 
1 1 1 -20 -1  17 o 52.295  1.8754  365.223   26.118    402.223   39.085    335.371   35.108    54.705  2.6674  49.886  2.6369  4.819523       3.750771 
1 1 1 -20 -1  18 o 41.293  1.8719  231.133   20.417    222.287   30.599    238.232   27.412    40.551  2.8350  42.035  2.4452  -1.484062      3.743835 
1 1 1 -20 -1  19 o 40.225  1.9201  222.731   20.147    191.027   30.173    248.237   27.064    37.538  3.0266  42.912  2.3637  -5.373837      3.840268 
1 1 1 -20 -1  20 o 56.178  1.9524  426.319   29.166    417.721   43.277    433.474   39.477    55.603  2.9160  56.754  2.5969  -1.150906      3.904779 
1 1 1 -20 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 -1  22 o 30.080  1.9669  122.170   15.541    129.985   23.804    116.364   20.518    30.897  2.9106  29.263  2.6464  1.634310       3.933833 
1 1 1 -20 -1  23 o 116.767 2.6905  1854.32   84.052    1855.01   121.792   1853.69   116.143   116.745 3.8949  116.789 3.7128  -0.4382324E-01 5.380985 
1 1 1 -20 -1  24 o 109.692 2.5986  1634.47   76.265    1703.61   111.097   1572.84   104.882   111.866 3.7078  107.518 3.6419  4.348610       5.197255 
1 1 1 -20 -1  25 o 50.759  2.0007  349.165   26.896    354.607   40.679    344.939   35.851    51.071  2.9868  50.446  2.6627  0.6257477      4.001355 
1 1 1 -20 -1  26 o 43.140  2.0007  250.493   22.804    273.685   35.044    233.461   30.032    44.836  2.9343  41.445  2.7204  3.390846       4.001356 
1 1 1 -20 -1  27 o 80.465  2.2987  885.559   49.199    842.970   72.933    921.123   66.648    78.592  3.4647  82.338  3.0220  -3.746811      4.597422 
1 1 1 -20 -1  28 o 41.115  2.0833  231.624   22.369    227.466   34.930    234.515   29.124    40.718  3.2292  41.512  2.6329  -0.7938499     4.166538 
1 1 1 -20 -1  29 o 15.377  2.7012  30.006    11.289    52.917    18.763    17.006    14.133    19.298  3.7651  11.457  3.8742  7.841663       5.402356 
1 1 1 -20 -1  30 o 39.819  3.4269  219.493   36.194    219.493   36.194    0.0000    0.0000    39.819  3.4269  ?       ?       ?              ?        
1 1 1 -20 -1  31 o 51.117  2.1104  348.857   28.336    426.815   44.969    297.519   36.493    55.713  3.0248  46.521  2.9438  9.191753       4.220861 
1 1 1 -20 -1  32 o 15.762  3.1392  35.107    13.401    41.405    22.398    31.596    16.725    16.768  4.7634  14.756  4.0899  2.011814       6.278307 
1 1 1 -20 -1  33 o 14.819  3.1910  31.202    13.319    34.418    22.723    29.519    16.439    15.395  4.8972  14.243  4.0924  1.152037       6.382035 
1 1 1 -20 -1  34 o 17.901  3.0155  46.266    13.762    53.195    23.308    42.558    17.052    18.777  4.6569  17.024  3.8322  1.753654       6.030966 
1 1 1 -20 -1  35 o 23.129  2.9223  79.575    16.722    76.721    27.799    81.194    20.934    22.450  4.7700  23.808  3.3774  -1.357750      5.844592 
1 1 1 -20 -1  36 o 11.389  2.9512  14.991    13.165    -8.5107   22.982    26.469    16.061    9.3828  4.2496  13.395  4.0962  -4.011874      5.902305 
1 1 1 -20 -1  37 o 37.949  2.9762  203.193   30.009    0.0000    0.0000    203.193   30.009    ?       ?       37.949  2.9762  ?              ?        
1 1 1 -20 -1  38 o 24.279  3.0559  87.189    18.145    95.574    31.664    83.089    22.141    24.718  4.9550  23.839  3.5781  0.8796501      6.111847 
1 1 1 -20 -1  39 o 17.738  3.5389  48.116    16.587    58.772    29.786    43.326    19.971    18.811  5.5388  16.665  4.4066  2.145351       7.077873 
1 1 1 -20 -1  40 o 13.029  3.2963  25.169    15.822    1.1389    28.710    35.652    18.962    11.043  4.8928  15.016  4.4186  -3.973377      6.592696 
1 1 1 -20 0   1  o 88.324  2.1992  1047.19   52.021    1065.71   74.315    1029.39   72.845    89.090  3.1143  87.559  3.1061  1.530815       4.398461 
1 1 1 -20 0   2  o 116.442 2.6348  1822.30   82.170    1849.97   116.832   1795.22   115.589   117.317 3.7180  115.567 3.7342  1.750748       5.269510 
1 1 1 -20 0   3  o 137.492 2.9650  2543.17   109.189   2564.24   154.985   2522.42   153.855   138.057 4.1912  136.926 4.1950  1.130875       5.929998 
1 1 1 -20 0   4  o 17.425  2.1616  43.353    9.3997    48.497    12.163    35.724    14.811    18.855  2.4676  15.995  3.5499  2.860291       4.323287 
1 1 1 -20 0   5  o 106.797 2.4929  1538.70   71.002    1438.26   103.051   1629.47   97.966    103.446 3.7192  110.148 3.3205  -6.701988      4.985839 
1 1 1 -20 0   6  o 104.503 2.4324  1475.77   67.680    1334.92   97.760    1605.42   93.792    99.665  3.6621  109.342 3.2025  -9.676842      4.864893 
1 1 1 -20 0   7  f 63.008  1.8897  542.518   31.276    454.839   45.980    618.013   42.667    58.135  2.9627  67.882  2.3466  -9.746979      3.779458 
1 1 1 -20 0   8  o 72.248  1.9422  702.133   37.433    679.838   54.969    721.413   51.117    71.169  2.8837  73.328  2.6026  -2.159050      3.884463 
1 1 1 -20 0   9  o 98.354  2.2637  1295.73   59.556    1377.73   86.855    1222.97   81.821    101.283 3.2016  95.425  3.2012  5.857864       4.527465 
1 1 1 -20 0   10 o 65.729  1.8784  577.096   32.957    610.862   49.135    549.480   44.435    67.465  2.7191  63.992  2.5924  3.473137       3.756855 
1 1 1 -20 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 0   12 o 153.613 3.1481  3178.07   129.481   3270.48   186.173   3091.50   180.201   155.772 4.4621  151.454 4.4421  4.317947       6.296207 
1 1 1 -20 0   13 o 93.141  2.2415  1161.48   55.801    1268.70   81.619    1067.38   76.463    97.165  3.1361  89.116  3.2034  8.048454       4.482945 
1 1 1 -20 0   14 f 134.355 2.9137  2439.37   104.576   2296.45   150.302   2573.49   145.597   130.492 4.3002  138.218 3.9328  -7.725540      5.827395 
1 1 1 -20 0   15 o 64.236  1.9580  553.899   33.588    560.236   49.572    548.521   45.669    64.568  2.8663  63.904  2.6681  0.6642227      3.915954 
1 1 1 -20 0   16 o 19.705  2.3942  57.753    11.572    35.993    17.623    74.246    15.343    16.028  4.0911  23.381  2.4881  -7.353090      4.788324 
1 1 1 -20 0   17 o 26.690  1.9355  96.357    13.527    99.774    20.635    93.782    17.913    27.086  2.8889  26.293  2.5766  0.7923107      3.870970 
1 1 1 -20 0   18 o 58.702  1.9750  466.260   30.799    441.633   45.422    487.220   41.904    57.204  2.9747  60.200  2.5988  -2.995686      3.950019 
1 1 1 -20 0   19 o 37.996  1.9030  197.404   18.973    178.630   28.395    212.546   25.501    36.302  2.9457  39.691  2.4101  -3.389114      3.806021 
1 1 1 -20 0   20 o 26.451  2.0309  96.794    13.841    86.906    21.136    104.219   18.315    25.180  3.2066  27.722  2.4933  -2.541887      4.061868 
1 1 1 -20 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 0   22 o 87.999  2.2715  1043.52   53.439    1121.22   78.452    976.262   72.991    91.042  3.2172  84.955  3.2077  6.086494       4.543047 
1 1 1 -20 0   23 o 46.055  2.0407  293.976   24.435    246.651   36.834    331.175   32.656    42.547  3.2569  49.563  2.4599  -7.015778      4.081464 
1 1 1 -20 0   24 o 48.273  2.0097  319.197   25.491    296.095   38.621    337.030   33.933    46.643  3.1092  49.903  2.5472  -3.259411      4.019322 
1 1 1 -20 0   25 o 117.108 2.7800  1880.84   86.879    1790.03   126.378   1962.22   119.631   114.296 4.1281  119.920 3.7245  -5.623703      5.559942 
1 1 1 -20 0   26 o 14.000  2.5511  23.005    10.491    48.885    17.105    7.3972    13.283    18.636  3.5565  9.3648  3.6583  9.271279       5.102177 
1 1 1 -20 0   27 o 73.825  2.2186  740.155   43.619    755.456   65.562    728.004   58.426    74.451  3.2877  73.200  2.9799  1.251755       4.437222 
1 1 1 -20 0   28 o 30.330  2.2237  125.102   17.425    134.290   28.021    119.309   22.250    31.163  3.4129  29.498  2.8517  1.664558       4.447458 
1 1 1 -20 0   29 o 28.033  2.2991  105.926   16.601    123.589   26.952    95.129    21.072    29.834  3.4356  26.233  3.0563  3.601145       4.598274 
1 1 1 -20 0   30 o 19.924  3.0442  59.087    16.043    36.015    23.054    80.749    22.339    15.896  4.9153  23.951  3.5929  -8.054961      6.088437 
1 1 1 -20 0   31 f 14.392  2.9957  30.617    12.471    20.864    20.874    36.032    15.552    12.981  4.6859  15.803  3.7337  -2.821447      5.991454 
1 1 1 -20 0   32 o 18.582  2.9557  46.639    14.057    69.165    23.720    34.446    17.452    21.804  4.2140  15.360  4.1456  6.443992       5.911327 
1 1 1 -20 0   33 o 34.468  2.3556  166.091   20.835    170.134   33.877    163.633   26.422    34.615  3.7118  34.320  2.9015  0.2947311      4.711290 
1 1 1 -20 0   34 o 27.476  2.5174  104.372   17.624    124.026   29.181    93.086    22.113    29.352  3.8009  25.601  3.3018  3.751596       5.034771 
1 1 1 -20 0   35 o 18.307  3.1857  48.738    14.799    58.459    25.946    44.050    18.018    19.426  4.9671  17.188  3.9903  2.237764       6.371421 
1 1 1 -20 0   36 o 7.7174  2.4300  -6.1605   10.776    -29.7014  19.493    4.1993    12.931    6.9394  3.3657  8.4955  3.5060  -1.556115      4.860067 
1 1 1 -20 0   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 0   38 o 20.540  3.3250  61.714    16.838    79.043    30.601    54.189    20.165    22.190  5.2335  18.891  4.1028  3.298708       6.650004 
1 1 1 -20 0   39 o 22.223  3.3706  76.242    18.175    83.363    33.163    73.186    21.728    22.350  5.5619  22.096  3.8089  0.2546272      6.741134 
1 1 1 -20 0   40 o 13.986  3.2892  16.967    14.274    62.374    28.565    1.8549    16.479    19.136  5.3597  8.8357  3.8145  10.30016       6.578455 
1 1 1 -20 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 1   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 1   4  o 30.679  1.6046  124.438   12.890    158.882   19.678    98.547    17.061    34.356  2.1492  27.002  2.3834  7.354156       3.209264 
1 1 1 -20 1   5  o 68.925  1.9536  638.124   35.940    629.198   52.886    645.784   48.992    68.470  2.8837  69.379  2.6364  -0.9087296     3.907191 
1 1 1 -20 1   6  o 168.568 3.3477  3825.89   151.032   4040.44   215.924   3620.37   211.332   173.210 4.6541  163.927 4.8131  9.282806       6.695303 
1 1 1 -20 1   7  o 71.471  1.9052  683.614   36.412    716.068   53.407    655.425   49.774    73.051  2.7295  69.892  2.6588  3.158226       3.810438 
1 1 1 -20 1   8  o 113.515 2.5156  1734.18   76.339    1680.14   110.385   1783.70   105.687   111.803 3.6861  115.226 3.4244  -3.422829      5.031274 
1 1 1 -20 1   9  o 143.358 2.9856  2767.61   114.535   2719.08   164.686   2813.07   159.399   142.122 4.3262  144.593 4.1157  -2.470963      5.971203 
1 1 1 -20 1   10 o 42.727  1.7539  246.253   19.766    242.201   30.131    249.313   26.188    42.400  2.6667  43.054  2.2790  -0.6543961     3.507886 
1 1 1 -20 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 1   12 o 102.952 2.3792  1421.25   65.505    1536.62   95.067    1316.96   90.386    106.925 3.3194  98.979  3.4093  7.946968       4.758352 
1 1 1 -20 1   13 o 56.312  1.8575  423.970   27.945    449.554   41.378    402.515   37.891    57.865  2.6697  54.759  2.5834  3.106659       3.715021 
1 1 1 -20 1   14 o 57.243  1.8850  437.552   28.693    506.601   42.386    379.141   38.984    61.426  2.5762  53.059  2.7525  8.366455       3.770048 
1 1 1 -20 1   15 o 40.125  1.8520  218.502   19.626    204.829   29.141    229.852   26.550    38.943  2.8126  41.308  2.4101  -2.364773      3.703980 
1 1 1 -20 1   16 f 31.989  1.9469  139.828   16.307    128.558   24.422    148.896   21.906    30.774  3.0010  33.204  2.4810  -2.430164      3.893787 
1 1 1 -20 1   17 o 144.509 3.0969  2825.77   119.801   2784.71   171.596   2864.83   167.332   143.456 4.4658  145.562 4.2918  -2.106232      6.193817 
1 1 1 -20 1   18 o 107.759 2.5584  1571.36   73.629    1488.90   106.347   1647.29   102.041   104.998 3.7814  110.520 3.4470  -5.521820      5.116740 
1 1 1 -20 1   19 o 44.082  1.9114  263.302   22.288    255.303   33.337    269.768   29.972    43.447  2.8811  44.717  2.5125  -1.270180      3.822744 
1 1 1 -20 1   20 o 42.798  1.8886  245.885   21.425    263.570   32.391    232.127   28.568    44.150  2.7528  41.447  2.5863  2.703403       3.777129 
1 1 1 -20 1   21 o 23.342  2.5385  75.825    14.721    47.571    19.972    109.430   21.781    18.352  4.1592  28.333  2.9116  -9.981525      5.077055 
1 1 1 -20 1   22 o 26.103  2.0757  90.797    14.053    113.388   21.891    74.963    18.327    28.838  2.8723  23.367  2.9973  5.471138       4.151407 
1 1 1 -20 1   23 o 68.288  2.1092  630.555   38.402    634.279   57.179    627.496   51.832    68.440  3.1192  68.137  2.8400  0.3027954      4.218447 
1 1 1 -20 1   24 o 82.411  2.2768  921.798   50.058    919.293   74.100    923.901   67.892    82.259  3.3631  82.563  3.0700  -0.3039398     4.553631 
1 1 1 -20 1   25 o 101.820 2.6064  1424.84   70.535    1300.43   103.227   1533.81   96.607    97.478  3.9536  106.162 3.3974  -8.684120      5.212816 
1 1 1 -20 1   26 o 19.346  2.6518  56.306    12.769    39.263    20.409    67.269    16.369    16.588  4.4856  22.103  2.8298  -5.515083      5.303650 
1 1 1 -20 1   27 f 67.151  2.2347  621.544   39.523    567.282   59.532    664.310   52.851    64.343  3.4671  69.959  2.8204  -5.616447      4.469395 
1 1 1 -20 1   28 o 51.445  2.0566  351.913   27.844    437.411   43.454    292.352   36.268    56.637  2.8738  46.254  2.9428  10.38335       4.113249 
1 1 1 -20 1   29 o 15.924  5.2929  34.847    26.385    0.0000    0.0000    34.847    26.385    ?       ?       15.924  5.2929  ?              ?        
1 1 1 -20 1   30 o 16.593  2.9416  40.983    12.746    34.281    21.728    44.499    15.739    15.500  4.7684  17.687  3.4460  -2.187194      5.883239 
1 1 1 -20 1   31 o 40.265  2.2640  223.526   23.675    230.850   37.859    218.823   30.339    40.669  3.5099  39.861  2.8607  0.8087387      4.527977 
1 1 1 -20 1   32 o 31.267  2.3965  132.979   19.264    157.018   31.755    118.980   24.232    33.357  3.6118  29.177  3.1508  4.180099       4.792973 
1 1 1 -20 1   33 o 37.334  2.3045  194.265   22.211    201.311   35.916    189.902   28.264    37.697  3.6009  36.971  2.8768  0.7252312      4.608996 
1 1 1 -20 1   34 f 8.3854  2.5645  -9.3660   10.012    13.385    19.113    -17.9704  11.754    11.301  4.3955  5.4701  2.6432  5.830537       5.129076 
1 1 1 -20 1   35 o 13.227  2.9282  26.637    13.182    -1.4614   24.088    38.648    15.749    10.298  4.5258  16.155  3.7169  -5.856870      5.856490 
1 1 1 -20 1   36 o 30.263  2.7410  135.254   20.495    129.279   34.356    138.555   25.537    29.278  4.5270  31.248  3.0916  -1.969999      5.481930 
1 1 1 -20 1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 1   38 o 9.8118  2.8786  5.8022    12.830    -15.0985  24.152    14.019    15.143    8.9873  4.1741  10.636  3.9652  -1.648990      5.757284 
1 1 1 -20 1   39 o 9.5957  2.9705  0.9074    13.012    5.4539    25.125    -0.7589   15.211    10.947  4.7179  8.2449  3.6105  2.701710       5.940910 
1 1 1 -20 1   40 f 7.6173  2.5619  -14.6272  12.619    -22.9630  24.827    -11.7234  14.654    8.4085  4.0042  6.8260  3.1969  1.582519       5.123857 
1 1 1 -20 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 2   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 2   5  o 66.815  1.8967  595.647   33.760    690.396   49.627    514.033   46.059    71.738  2.5828  61.892  2.7784  9.845562       3.793426 
1 1 1 -20 2   6  o 46.906  1.6484  294.711   20.618    304.929   30.507    286.119   27.974    47.621  2.3994  46.191  2.2610  1.429985       3.296889 
1 1 1 -20 2   7  o 163.555 3.3210  3606.64   145.348   3492.88   207.868   3715.48   203.315   161.003 4.8202  166.106 4.5698  -5.102188      6.642068 
1 1 1 -20 2   8  o 165.020 3.3376  3671.49   147.405   3583.52   211.051   3755.26   205.967   163.065 4.8321  166.974 4.6053  -3.909653      6.675210 
1 1 1 -20 2   9  o 125.931 2.7363  2136.11   92.123    2062.75   132.945   2203.88   127.772   123.829 4.0083  128.034 3.7258  -4.204712      5.472512 
1 1 1 -20 2   10 o 77.023  2.0347  792.811   41.357    995.309   60.911    619.621   56.331    86.121  2.6406  67.925  3.0962  18.19625       4.069311 
1 1 1 -20 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 2   12 o 81.129  2.2015  895.582   47.207    754.877   68.355    1023.88   65.272    74.934  3.4057  87.325  2.7906  -12.39087      4.402986 
1 1 1 -20 2   13 f 142.002 2.9958  2716.85   113.920   2780.11   163.070   2656.54   159.212   143.615 4.2392  140.389 4.2341  3.226822       5.991508 
1 1 1 -20 2   14 o 88.866  2.2258  1059.45   52.725    1210.60   76.493    922.641   72.776    94.906  3.0091  82.826  3.2804  12.08057       4.451528 
1 1 1 -20 2   15 o 49.727  1.8784  331.499   24.866    359.073   36.718    308.139   33.796    51.632  2.6641  47.821  2.6488  3.810612       3.756845 
1 1 1 -20 2   16 o 109.001 2.5259  1599.65   73.703    1638.79   106.466   1563.63   102.134   110.274 3.6045  107.727 3.5396  2.546547       5.051881 
1 1 1 -20 2   17 o 136.079 2.9531  2503.52   107.579   2500.87   154.634   2506.01   149.763   135.988 4.2454  136.171 4.1061  -0.1822968     5.906216 
1 1 1 -20 2   18 o 132.240 2.9159  2369.13   103.140   2302.71   148.449   2431.11   143.405   130.404 4.2501  134.077 3.9932  -3.672989      5.831713 
1 1 1 -20 2   19 o 92.148  2.3600  1148.50   58.066    1110.74   84.705    1181.98   79.755    90.683  3.4874  93.612  3.1808  -2.929611      4.720069 
1 1 1 -20 2   20 o 84.019  4.5488  963.919   101.986   0.0000    0.0000    963.919   101.986   ?       ?       84.019  4.5488  ?              ?        
1 1 1 -20 2   21 o 73.866  2.1858  742.224   42.896    687.415   63.327    788.692   58.310    71.280  3.3169  76.452  2.8475  -5.172485      4.371506 
1 1 1 -20 2   22 o 67.853  2.0809  618.157   37.680    671.611   56.310    574.818   50.704    70.483  2.9827  65.223  2.9024  5.260368       4.161769 
1 1 1 -20 2   23 f 103.585 2.5803  1463.95   71.310    1404.89   104.245   1515.90   97.762    101.532 3.8332  105.638 3.4551  -4.106476      5.160542 
1 1 1 -20 2   24 o 54.796  2.1297  415.079   30.526    358.265   45.865    460.260   40.901    51.233  3.3609  58.358  2.6166  -7.125294      4.259386 
1 1 1 -20 2   25 o 88.154  2.3932  1061.22   56.185    1025.06   83.182    1091.55   76.192    86.682  3.5827  89.626  3.1738  -2.943993      4.786338 
1 1 1 -20 2   26 o 40.681  2.0719  225.393   22.041    227.935   34.549    223.648   28.623    40.807  3.1861  40.555  2.6495  0.2526779      4.143822 
1 1 1 -20 2   27 o 45.639  2.1092  285.531   25.225    278.446   39.039    290.609   33.052    45.064  3.2562  46.214  2.6817  -1.149235      4.218330 
1 1 1 -20 2   28 o 48.566  2.1281  321.122   27.178    332.792   42.311    312.924   35.462    49.239  3.2260  47.893  2.7763  1.346405       4.256162 
1 1 1 -20 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 2   30 o 44.236  2.1789  265.938   25.245    291.223   40.074    249.301   32.507    45.877  3.2829  42.596  2.8658  3.280701       4.357836 
1 1 1 -20 2   31 o 12.371  3.1190  19.312    12.542    17.479    22.151    20.177    15.216    12.565  4.7715  12.176  4.0182  0.3894672      6.238049 
1 1 1 -20 2   32 o 27.316  2.5424  102.353   17.652    121.782   29.379    91.376    22.082    29.190  3.8517  25.443  3.3194  3.747547       5.084700 
1 1 1 -20 2   33 o 15.574  3.1461  37.884    13.928    24.363    24.496    44.343    16.932    13.740  5.0583  17.409  3.7425  -3.668415      6.292267 
1 1 1 -20 2   34 o 36.266  2.5512  193.491   23.075    168.305   37.600    208.710   29.227    33.868  4.2376  38.664  2.8421  -4.796249      5.102429 
1 1 1 -20 2   35 o 18.886  3.2141  56.135    15.573    48.251    26.887    60.116    19.103    17.520  5.2872  20.252  3.6562  -2.732508      6.428282 
1 1 1 -20 2   36 o 17.726  3.3334  51.424    16.157    36.474    27.951    58.926    19.801    15.542  5.4412  19.909  3.8523  -4.366961      6.666831 
1 1 1 -20 2   37 o 27.186  2.9350  104.403   19.830    133.364   34.573    90.204    24.208    29.639  4.4961  24.733  3.7737  4.905807       5.869903 
1 1 1 -20 2   38 f 14.069  3.5157  24.613    15.062    44.971    29.351    17.336    17.549    16.614  5.5833  11.523  4.2740  5.090631       7.031341 
1 1 1 -20 2   39 o 17.216  3.5572  47.976    16.538    50.646    30.365    46.850    19.720    17.197  5.6762  17.234  4.2890  -0.3744507E-01 7.114461 
1 1 1 -20 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 3   5  o 107.532 3.2040  1630.76   83.851    1375.58   147.215   1753.31   102.017   100.810 5.4726  114.254 3.3336  -13.44423      6.407943 
1 1 1 -20 3   6  o 50.174  1.6786  337.570   22.466    338.509   33.333    336.788   30.411    50.235  2.4773  50.114  2.2656  0.1212082      3.357124 
1 1 1 -20 3   7  o 61.153  1.8088  499.831   29.541    525.328   43.857    478.656   39.967    62.573  2.6168  59.734  2.4980  2.839413       3.617676 
1 1 1 -20 3   8  o 52.694  1.7758  370.599   24.969    393.750   37.334    351.864   33.585    54.173  2.5729  51.215  2.4483  2.958038       3.551630 
1 1 1 -20 3   9  o 105.961 2.4490  1511.19   69.380    1459.18   100.092   1559.28   96.256    104.191 3.5866  107.732 3.3357  -3.541084      4.898042 
1 1 1 -20 3   10 o 46.721  1.7834  291.309   22.029    354.320   32.581    238.246   29.898    51.393  2.3668  42.049  2.6685  9.344353       3.566873 
1 1 1 -20 3   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 3   12 o 108.049 2.4836  1569.01   71.850    1615.29   103.291   1525.62   100.011   109.591 3.5188  106.507 3.5057  3.083313       4.967119 
1 1 1 -20 3   13 o 90.084  2.2480  1088.78   54.180    1162.53   78.475    1021.60   74.894    92.996  3.1505  87.171  3.2077  5.825127       4.496083 
1 1 1 -20 3   14 o 89.916  2.2855  1089.35   54.919    1052.46   79.550    1122.95   75.913    88.443  3.3581  91.388  3.1012  -2.945007      4.571022 
1 1 1 -20 3   15 o 48.004  1.9023  310.028   24.269    316.860   36.092    304.389   32.789    48.475  2.7915  47.532  2.5852  0.9432716      3.804675 
1 1 1 -20 3   16 o 63.088  1.9853  532.276   33.457    582.320   49.446    490.017   45.437    65.809  2.8052  60.368  2.8101  5.440948       3.970602 
1 1 1 -20 3   17 o 86.510  2.2453  1005.54   51.955    1057.37   75.962    959.977   71.217    88.595  3.2011  84.424  3.1494  4.170715       4.490613 
1 1 1 -20 3   18 o 22.588  2.1435  71.047    12.291    64.410    19.135    75.709    16.036    21.589  3.4233  23.586  2.5805  -1.997269      4.286943 
1 1 1 -20 3   19 o 91.443  2.3024  1122.89   56.129    1287.57   82.394    980.290   76.671    97.690  3.1489  85.196  3.3599  12.49379       4.604795 
1 1 1 -20 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 3   21 o 23.121  2.2337  74.875    13.020    67.839    20.581    79.571    16.812    22.090  3.6025  24.151  2.6420  -2.060287      4.467473 
1 1 1 -20 3   22 o 13.768  2.4844  24.163    9.3202    39.994    15.252    14.729    11.774    16.863  3.4917  10.672  3.5352  6.190970       4.968876 
1 1 1 -20 3   23 o 41.858  1.9694  234.179   21.754    266.778   33.663    210.806   28.504    44.316  2.8511  39.400  2.7176  4.915947       3.938857 
1 1 1 -20 3   24 o 79.547  2.3560  873.212   49.413    758.140   73.297    969.080   66.901    74.542  3.6711  84.552  2.9541  -10.00970      4.712018 
1 1 1 -20 3   25 o 30.055  2.1069  120.243   16.482    145.975   26.202    103.395   21.202    32.653  3.0304  27.458  2.9280  5.195738       4.213830 
1 1 1 -20 3   26 f 6.6427  2.1365  -10.4293  7.9191    0.7541    13.790    -15.9321  9.6732    8.3671  3.5475  4.9183  2.3819  3.448816       4.272960 
1 1 1 -20 3   27 o 26.017  2.4657  97.103    15.921    83.036    25.526    106.059   20.368    24.224  4.0791  27.810  2.7713  -3.585686      4.931496 
1 1 1 -20 3   28 o 22.823  2.6776  76.243    14.995    63.994    24.465    83.613    18.977    21.049  4.4770  24.597  2.9386  -3.547142      5.355257 
1 1 1 -20 3   29 o 62.646  3.4334  542.215   57.391    542.215   57.391    0.0000    0.0000    62.646  3.4334  ?       ?       ?              ?        
1 1 1 -20 3   30 o 28.464  2.5205  114.539   18.097    111.317   29.443    116.495   22.943    27.942  4.0522  28.985  2.9986  -1.043007      5.041053 
1 1 1 -20 3   31 o 10.776  2.9630  11.250    11.558    11.598    20.943    11.097    13.860    11.470  4.5584  10.083  3.7866  1.387379       5.926024 
1 1 1 -20 3   32 o 40.562  2.2453  222.350   23.665    267.100   38.736    195.699   29.893    43.638  3.3394  37.486  3.0024  6.151970       4.490624 
1 1 1 -20 3   33 o 40.998  2.3187  232.486   24.616    256.845   40.231    217.911   31.121    42.506  3.5667  39.490  2.9639  3.015530       4.637419 
1 1 1 -20 3   34 o 9.0052  2.7467  1.2711    11.669    -5.6847   20.632    4.5428    14.150    9.1401  4.0923  8.8702  3.6647  0.2699041      5.493367 
1 1 1 -20 3   35 o 21.469  3.2368  74.152    17.096    59.264    29.973    81.331    20.814    19.190  5.5294  23.747  3.3665  -4.557436      6.473601 
1 1 1 -20 3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 3   37 o 22.927  3.3195  78.783    18.737    92.063    32.906    72.412    22.793    23.922  5.2772  21.932  4.0284  1.990326       6.639007 
1 1 1 -20 3   38 o 23.099  3.4313  85.559    19.241    83.307    34.565    86.570    23.161    22.098  5.7754  24.101  3.7066  -2.002867      6.862541 
1 1 1 -20 3   39 o 11.276  3.1974  7.2490    13.808    32.341    26.250    -2.3503   16.236    14.312  5.2412  8.2398  3.6638  6.072609       6.394778 
1 1 1 -20 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 4   5  o 90.932  2.9718  1109.97   72.382    0.0000    0.0000    1109.97   72.382    ?       ?       90.932  2.9718  ?              ?        
1 1 1 -20 4   6  o 42.569  1.6474  239.738   18.376    313.268   27.780    182.535   24.502    48.335  2.1457  36.803  2.5004  11.53195       3.294894 
1 1 1 -20 4   7  o 140.114 2.9284  2640.80   109.863   2670.07   157.821   2613.29   153.030   140.860 4.1830  139.367 4.0995  1.492477       5.856881 
1 1 1 -20 4   8  o 66.551  1.9314  594.362   34.363    595.160   50.173    593.658   47.161    66.589  2.8131  66.513  2.6472  0.7555389E-01  3.862772 
1 1 1 -20 4   9  o 81.815  2.1096  896.970   46.148    975.849   66.796    824.939   63.831    85.254  2.9251  78.377  3.0405  6.876671       4.219169 
1 1 1 -20 4   10 o 77.681  2.1099  813.961   43.704    751.725   63.136    871.218   60.558    74.805  3.1511  80.557  2.8066  -5.751961      4.219747 
1 1 1 -20 4   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 4   12 o 107.164 2.5295  1550.28   72.361    1445.38   104.147   1648.19   100.612   103.623 3.7523  110.706 3.3931  -7.082573      5.058950 
1 1 1 -20 4   13 f 17.784  2.2788  45.585    10.201    33.620    15.369    55.006    13.638    15.494  3.7450  20.073  2.5975  -4.579870      4.557609 
1 1 1 -20 4   14 o 125.577 2.7899  2126.79   93.773    2112.83   134.932   2139.84   130.414   125.161 4.0249  125.993 3.8645  -0.8320084     5.579807 
1 1 1 -20 4   15 o 41.715  1.9113  234.996   21.111    233.435   31.570    236.258   28.394    41.571  2.8526  41.859  2.5445  -0.2882881     3.822528 
1 1 1 -20 4   16 o 66.542  2.0737  598.175   36.753    569.147   54.135    622.994   50.057    65.019  3.1085  68.065  2.7457  -3.045441      4.147483 
1 1 1 -20 4   17 o 48.411  1.8998  311.666   24.374    371.642   36.739    264.515   32.575    52.568  2.6092  44.253  2.7620  8.314915       3.799597 
1 1 1 -20 4   18 o 116.533 2.6720  1834.22   83.334    1908.07   120.845   1767.26   115.071   118.760 3.7990  114.305 3.7585  4.454010       5.344008 
1 1 1 -20 4   19 o 85.893  2.2812  995.983   52.352    1001.86   76.893    990.902   71.477    86.105  3.3340  85.681  3.1145  0.4235306      4.562478 
1 1 1 -20 4   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 4   21 o 19.944  2.2886  53.649    11.643    65.597    18.419    45.697    15.025    21.777  3.2579  18.111  3.2152  3.666437       4.577213 
1 1 1 -20 4   22 o 17.287  2.4849  40.410    10.947    51.922    17.593    33.138    13.984    19.254  3.5420  15.321  3.4861  3.932796       4.969759 
1 1 1 -20 4   23 o 45.507  2.0239  280.566   24.285    287.500   37.324    275.476   31.980    45.950  3.0499  45.064  2.6613  0.8861771      4.047798 
1 1 1 -20 4   24 o 48.628  2.0272  317.097   26.046    354.525   40.299    290.244   34.133    51.042  2.9604  46.214  2.7703  4.827553       4.054407 
1 1 1 -20 4   25 o 8.6291  2.4879  2.5683    8.8445    9.2367    14.785    -1.1474   11.037    10.040  3.8769  7.2180  3.1189  2.822190       4.975708 
1 1 1 -20 4   26 o 33.928  2.1484  156.548   18.912    164.404   30.253    151.509   24.230    34.552  3.3094  33.304  2.7406  1.247887       4.296857 
1 1 1 -20 4   27 o 32.984  2.2206  148.456   18.997    156.733   30.314    143.104   24.378    33.659  3.4094  32.308  2.8461  1.351284       4.441248 
1 1 1 -20 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 4   29 f 13.592  3.0234  23.159    11.694    35.386    20.880    17.572    14.115    15.658  4.6445  11.526  3.8719  4.132166       6.046757 
1 1 1 -20 4   30 o 24.863  2.6475  82.870    16.543    110.400   28.012    68.127    20.500    27.861  3.8572  21.865  3.6276  5.996212       5.295026 
1 1 1 -20 4   31 o 33.381  2.3865  150.609   20.515    184.070   33.970    131.400   25.738    36.127  3.5566  30.635  3.1832  5.492275       4.773066 
1 1 1 -20 4   32 o 52.796  2.2986  387.838   31.693    404.695   50.477    376.868   40.720    53.522  3.5411  52.070  2.9316  1.451855       4.597116 
1 1 1 -20 4   33 o 20.886  3.1724  73.342    16.767    42.239    28.622    89.592    20.688    16.645  5.5118  25.127  3.1427  -8.481899      6.344795 
1 1 1 -20 4   34 o 34.628  2.6385  175.518   22.837    165.837   37.889    181.041   28.619    33.420  4.3348  35.836  3.0095  -2.415436      5.277066 
1 1 1 -20 4   35 o 25.717  3.1319  102.277   19.201    92.694    33.654    106.903   23.380    24.128  5.3480  27.306  3.2612  -3.178371      6.263877 
1 1 1 -20 4   36 o 16.488  5.5573  43.028    29.079    43.028    29.079    0.0000    0.0000    16.488  5.5573  ?       ?       ?              ?        
1 1 1 -20 4   37 o 15.117  3.4639  28.255    15.145    58.140    28.897    16.937    17.783    18.751  5.4368  11.484  4.2938  7.267444       6.927894 
1 1 1 -20 4   38 o 17.050  3.3920  51.224    16.786    28.282    30.957    60.778    19.979    14.143  5.5669  19.957  3.8771  -5.814405      6.784029 
1 1 1 -20 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 5   5  o 150.451 3.4441  2853.74   132.895   3764.42   232.755   2413.27   161.875   167.037 5.2023  133.864 4.5147  33.17365       6.888143 
1 1 1 -20 5   6  o 75.794  2.0167  768.797   40.879    817.865   59.794    725.736   56.014    78.058  2.8599  73.531  2.8441  4.526817       4.033338 
1 1 1 -20 5   7  o 49.516  1.7825  329.633   23.532    326.346   34.457    332.507   32.215    49.246  2.6217  49.786  2.4158  -0.5401306     3.565012 
1 1 1 -20 5   8  o 43.543  1.7508  254.000   20.283    279.277   29.809    232.209   27.678    45.559  2.4518  41.527  2.5001  4.032585       3.501688 
1 1 1 -20 5   9  o 83.960  2.1470  944.537   48.194    1029.28   69.890    867.709   66.547    87.546  2.9805  80.374  3.0912  7.172729       4.294023 
1 1 1 -20 5   10 o 62.190  3.9325  522.646   65.167    0.0000    0.0000    522.646   65.167    ?       ?       62.190  3.9325  ?              ?        
1 1 1 -20 5   11 o 93.932  2.3249  1186.98   58.413    1169.64   84.502    1202.85   80.836    93.264  3.3827  94.600  3.1902  -1.336327      4.649768 
1 1 1 -20 5   12 o 100.933 2.4342  1373.08   65.665    1323.98   94.958    1418.09   90.903    99.182  3.5744  102.684 3.3051  -3.501274      4.868325 
1 1 1 -20 5   13 f 103.325 2.4424  1434.45   67.532    1510.45   97.913    1365.50   93.267    105.931 3.4509  100.719 3.4572  5.211823       4.884774 
1 1 1 -20 5   14 o 28.983  2.0771  117.714   15.320    94.099    23.161    136.084   20.428    26.224  3.3758  31.741  2.4210  -5.517223      4.154198 
1 1 1 -20 5   15 o 20.922  2.4226  65.725    12.244    39.657    18.773    85.023    16.152    16.804  4.1865  25.040  2.4393  -8.236031      4.845280 
1 1 1 -20 5   16 o 45.020  1.9117  272.971   22.815    279.152   34.298    268.065   30.556    45.461  2.8308  44.579  2.5699  0.8817368      3.823328 
1 1 1 -20 5   17 o 45.026  1.9185  272.748   22.881    283.051   34.638    264.772   30.478    45.762  2.8399  44.290  2.5803  1.471821       3.837068 
1 1 1 -20 5   18 o 53.792  2.0317  395.802   28.753    351.607   42.935    431.742   38.718    50.947  3.1619  56.636  2.5523  -5.689270      4.063475 
1 1 1 -20 5   19 o 92.806  4.8421  1180.48   119.948   0.0000    0.0000    1180.48   119.948   ?       ?       92.806  4.8421  ?              ?        
1 1 1 -20 5   20 o 38.842  1.9684  204.130   20.142    208.437   30.850    200.930   26.593    39.168  2.9625  38.517  2.5927  0.6505013      3.936836 
1 1 1 -20 5   21 o 59.142  2.0733  474.684   32.494    466.006   49.001    481.495   43.411    58.576  3.1345  59.707  2.7145  -1.131126      4.146530 
1 1 1 -20 5   22 o 61.560  2.1118  514.479   34.474    510.332   52.011    517.729   46.041    61.251  3.1812  61.868  2.7784  -0.6166725     4.223628 
1 1 1 -20 5   23 o 72.985  2.2424  727.518   43.429    690.858   65.036    757.021   58.342    71.236  3.4085  74.733  2.9146  -3.496826      4.484731 
1 1 1 -20 5   24 o 41.651  2.0175  226.973   21.736    318.315   34.439    166.500   28.022    48.415  2.6660  34.886  3.0289  13.52898       4.035089 
1 1 1 -20 5   25 o 30.443  2.2892  130.921   17.632    113.750   27.878    142.368   22.763    28.582  3.7306  32.305  2.6542  -3.723602      4.578435 
1 1 1 -20 5   26 f 40.230  2.2044  225.884   22.833    204.065   35.942    240.646   29.564    38.429  3.5314  42.031  2.6395  -3.601967      4.408841 
1 1 1 -20 5   27 o 56.753  2.2354  445.584   33.230    417.741   51.267    465.759   43.639    55.023  3.4967  58.483  2.7859  -3.459610      4.470831 
1 1 1 -20 5   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 5   29 o 44.324  2.2287  270.806   25.727    276.922   40.931    266.811   33.079    44.596  3.4535  44.052  2.8182  0.5443573      4.457469 
1 1 1 -20 5   30 o 38.578  2.2515  198.134   22.531    258.921   36.700    161.362   28.544    43.139  3.1990  34.018  3.1692  9.120625       4.502995 
1 1 1 -20 5   31 o 16.817  2.5862  30.017    12.856    86.401    22.480    2.6154    15.671    24.616  3.5087  9.0177  3.8002  15.59828       5.172305 
1 1 1 -20 5   32 o 11.332  2.8288  15.891    12.110    -8.9491   22.035    26.639    14.495    9.1871  4.1610  13.476  3.8332  -4.288834      5.657530 
1 1 1 -20 5   33 o 27.338  2.6765  104.247   18.431    126.493   31.282    92.417    22.811    29.332  4.0931  25.344  3.4499  3.987902       5.353093 
1 1 1 -20 5   34 o 25.344  2.8774  92.996    18.018    103.268   30.957    87.734    22.157    26.061  4.6030  24.628  3.4539  1.433971       5.754797 
1 1 1 -20 5   35 o 10.189  4.6401  -9.9394   27.876    0.0000    0.0000    -9.9394   27.876    ?       ?       10.189  4.6401  ?              ?        
1 1 1 -20 5   36 o 14.065  3.3699  30.527    15.623    14.753    27.828    37.788    18.880    12.495  5.1484  15.635  4.3496  -3.139997      6.739769 
1 1 1 -20 5   37 o 12.293  2.6200  16.675    14.257    -51.0001  26.181    45.206    16.999    7.3343  3.6260  17.252  3.7829  -9.918005      5.240014 
1 1 1 -20 5   38 o 13.983  3.5259  29.855    15.544    31.602    29.918    29.209    18.191    14.340  5.5211  13.625  4.3868  0.7157001      7.051743 
1 1 1 -20 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 6   5  o 255.889 4.9378  8891.78   338.414   8866.74   480.811   8916.36   476.399   255.511 7.0255  256.267 6.9405  -0.7568207     9.875593 
1 1 1 -20 6   6  o 124.812 2.7399  2096.41   91.536    2064.53   131.254   2126.59   127.720   123.877 3.9558  125.748 3.7920  -1.871315      5.479749 
1 1 1 -20 6   7  o 66.965  1.9577  600.613   35.062    625.915   51.314    578.455   48.021    68.283  2.8057  65.647  2.7310  2.635727       3.915370 
1 1 1 -20 6   8  o 105.276 2.4435  1488.04   68.861    1552.91   99.368    1428.10   95.514    107.481 3.4516  103.071 3.4597  4.410408       4.887081 
1 1 1 -20 6   9  o 119.245 2.6496  1910.91   84.559    2019.05   121.755   1810.15   117.527   122.505 3.7106  115.984 3.7831  6.521019       5.299108 
1 1 1 -20 6   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 6   11 o 191.453 3.8451  4965.23   197.143   4954.10   281.359   4975.97   276.313   191.219 5.4934  191.686 5.3817  -0.4662170     7.690271 
1 1 1 -20 6   12 o 89.850  2.3667  1098.04   56.332    950.176   81.803    1231.40   77.687    83.996  3.6359  95.703  3.0306  -11.70696      4.733365 
1 1 1 -20 6   13 o 79.054  2.2068  845.002   46.463    788.937   67.970    894.180   63.659    76.557  3.3147  81.551  2.9144  -4.993515      4.413696 
1 1 1 -20 6   14 o 127.780 2.8578  2208.42   97.632    2134.14   140.831   2277.15   135.470   125.670 4.1839  129.890 3.8939  -4.220253      5.715511 
1 1 1 -20 6   15 o 105.009 2.5006  1485.26   70.256    1532.20   102.285   1443.34   96.667    106.567 3.5835  103.451 3.4886  3.116524       5.001170 
1 1 1 -20 6   16 o 32.369  1.9723  143.171   16.667    135.020   25.459    149.284   22.048    31.511  3.0548  33.227  2.4956  -1.715990      3.944620 
1 1 1 -20 6   17 o 7.5771  2.1421  2.9180    6.9678    -6.5176   11.666    8.1506    8.6876    6.7038  3.0327  8.4505  3.0261  -1.746636      4.284270 
1 1 1 -20 6   18 o 55.998  2.0375  425.753   30.197    406.080   45.321    441.461   40.497    54.754  3.1030  57.243  2.6412  -2.489124      4.074900 
1 1 1 -20 6   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 6   20 o 88.219  2.3572  1053.03   55.532    1082.34   82.231    1028.45   75.295    89.311  3.4375  87.127  3.2264  2.184151       4.714459 
1 1 1 -20 6   21 o 14.420  2.4845  31.849    10.559    8.1271    16.761    47.456    13.595    10.314  4.0847  18.525  2.8296  -8.211359      4.969011 
1 1 1 -20 6   22 o 73.365  2.2419  734.119   43.664    704.249   65.493    758.018   58.583    71.940  3.3988  74.790  2.9244  -2.849464      4.483783 
1 1 1 -20 6   23 o 51.564  2.0181  352.256   27.447    435.963   42.681    293.226   35.842    56.717  2.8095  46.411  2.8977  10.30629       4.036120 
1 1 1 -20 6   24 o 45.221  2.1804  286.677   25.400    242.905   39.205    318.338   33.344    42.021  3.5156  48.421  2.5802  -6.399902      4.360844 
1 1 1 -20 6   25 o 12.424  2.7265  15.746    10.349    36.902    18.023    5.3381    12.641    16.048  4.1589  8.8005  3.5268  7.247871       5.452930 
1 1 1 -20 6   26 o 36.608  2.2416  184.727   21.210    183.390   33.858    185.590   27.210    36.384  3.5182  36.832  2.7786  -0.4485893     4.483105 
1 1 1 -20 6   27 o 74.241  4.7827  780.831   94.600    0.0000    0.0000    780.831   94.600    ?       ?       74.241  4.7827  ?              ?        
1 1 1 -20 6   28 o 46.575  2.1962  293.517   26.762    330.216   42.880    270.102   34.251    48.836  3.2975  44.315  2.9016  4.520782       4.392362 
1 1 1 -20 6   29 o 33.743  2.3662  155.732   20.494    173.693   33.912    145.399   25.722    35.117  3.6591  32.368  3.0010  2.748398       4.732330 
1 1 1 -20 6   30 o 17.492  2.9889  39.591    13.768    69.854    23.848    24.463    16.861    21.828  4.2318  13.156  4.2221  8.671751       5.977768 
1 1 1 -20 6   31 o 30.462  2.5257  130.821   19.455    138.182   32.433    126.684   24.315    30.891  4.0148  30.033  3.0656  0.8577690      5.051421 
1 1 1 -20 6   32 o 25.151  3.0560  101.192   18.139    73.280    30.744    116.095   22.465    21.585  5.3456  28.716  2.9634  -7.130184      6.112071 
1 1 1 -20 6   33 o 14.376  3.3149  31.277    14.592    23.750    25.223    35.063    17.889    13.526  5.1025  15.226  4.2331  -1.700039      6.629845 
1 1 1 -20 6   34 o 23.772  3.2744  94.545    18.749    64.109    32.165    110.208   23.075    19.768  5.7373  27.776  3.1577  -8.008102      6.548839 
1 1 1 -20 6   35 o 27.573  5.1429  119.962   36.585    119.962   36.585    0.0000    0.0000    27.573  5.1429  ?       ?       ?              ?        
1 1 1 -20 6   36 o 12.048  3.3830  16.493    15.379    15.839    28.170    16.771    18.356    12.585  5.1821  11.510  4.3502  1.075170       6.765981 
1 1 1 -20 6   37 o 10.279  3.1075  6.4947    14.036    1.5239    27.179    8.3024    16.391    10.811  4.7769  9.7460  3.9759  1.065230       6.215021 
1 1 1 -20 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 7   4  o 93.618  2.3028  1187.17   57.173    1008.35   81.607    1359.55   80.122    86.613  3.5177  100.624 2.9728  -14.01101      4.605620 
1 1 1 -20 7   5  o 126.483 2.8037  2156.88   94.797    2051.47   136.065   2256.31   132.148   123.451 4.1149  129.515 3.8094  -6.063858      5.607481 
1 1 1 -20 7   6  o 100.479 2.4024  1355.44   64.604    1393.23   93.662    1321.14   89.226    101.809 3.4347  99.148  3.3598  2.661224       4.804761 
1 1 1 -20 7   7  o 118.614 2.6352  1889.18   83.559    2062.12   120.783   1730.44   115.720   123.823 3.6418  113.406 3.8097  10.41721       5.270313 
1 1 1 -20 7   8  o 82.905  2.1835  923.076   48.400    929.984   70.696    916.983   66.403    83.190  3.1728  82.621  3.0006  0.5686874      4.366917 
1 1 1 -20 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 7   10 o 138.496 2.9928  2588.20   110.925   2548.84   159.486   2625.07   154.382   137.453 4.3319  139.540 4.1306  -2.086441      5.985575 
1 1 1 -20 7   11 o 146.504 3.1154  2898.85   122.176   2879.30   175.574   2917.21   170.121   146.002 4.4896  147.006 4.3205  -1.004059      6.230871 
1 1 1 -20 7   12 o 127.656 2.8291  2198.94   96.644    2192.93   139.583   2204.47   133.941   127.467 4.0883  127.844 3.9115  -0.3768616     5.658111 
1 1 1 -20 7   13 o 142.510 3.0343  2742.20   115.748   2871.10   166.965   2622.92   160.606   145.735 4.2773  139.285 4.3049  6.449341       6.068624 
1 1 1 -20 7   14 o 57.651  2.0181  450.159   30.827    427.566   46.029    468.536   41.512    56.270  3.0656  59.032  2.6254  -2.762314      4.036146 
1 1 1 -20 7   15 o 99.995  2.4643  1348.76   65.882    1363.05   96.355    1336.22   90.284    100.470 3.5805  99.519  3.3870  0.9509277      4.928687 
1 1 1 -20 7   16 o 65.139  2.0895  573.633   36.212    555.539   53.953    588.466   48.849    64.175  3.1388  66.103  2.7589  -1.928352      4.178937 
1 1 1 -20 7   17 o 66.291  2.0870  590.948   36.888    611.808   55.242    574.161   49.556    67.325  3.0634  65.257  2.8351  2.067787       4.174001 
1 1 1 -20 7   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 7   19 o 38.272  2.0192  200.730   20.186    188.549   31.015    209.683   26.589    37.193  3.1426  39.351  2.5362  -2.157383      4.038363 
1 1 1 -20 7   20 o 78.216  2.2675  831.365   47.199    813.714   70.440    845.748   63.584    77.401  3.3977  79.030  3.0037  -1.629791      4.535057 
1 1 1 -20 7   21 o 40.689  2.0055  221.565   21.472    249.065   33.592    202.565   27.921    42.773  2.9501  38.604  2.7176  4.168800       4.011074 
1 1 1 -20 7   22 o 38.410  2.0368  196.969   20.542    227.933   32.318    175.978   26.609    40.882  2.9717  35.937  2.7862  4.945026       4.073548 
1 1 1 -20 7   23 o 43.469  2.1041  259.343   23.916    249.285   37.038    266.536   31.321    42.656  3.2666  44.282  2.6529  -1.625614      4.208111 
1 1 1 -20 7   24 o 73.707  2.2376  732.643   43.894    813.287   66.839    671.489   58.204    77.206  3.2321  70.207  3.0952  6.998871       4.475134 
1 1 1 -20 7   25 o 54.187  2.1026  388.949   29.946    498.115   46.962    314.144   38.875    60.477  2.8991  47.896  3.0461  12.58170       4.205199 
1 1 1 -20 7   26 o 17.515  2.8272  44.706    12.633    41.232    20.897    46.707    15.860    16.862  4.5302  18.167  3.3838  -1.304937      5.654471 
1 1 1 -20 7   27 o 14.632  4.7246  29.929    21.089    29.929    21.089    0.0000    0.0000    14.632  4.7246  ?       ?       ?              ?        
1 1 1 -20 7   28 o 22.171  2.9198  75.384    15.755    56.973    26.226    85.780    19.707    19.542  4.9922  24.800  3.0298  -5.257658      5.839691 
1 1 1 -20 7   29 o 30.921  2.5995  137.937   19.996    127.059   33.014    144.240   25.130    29.627  4.2846  32.215  2.9449  -2.587774      5.199095 
1 1 1 -20 7   30 f 35.253  2.3408  163.331   21.060    234.366   35.384    124.361   26.208    40.859  3.2603  29.647  3.3597  11.21204       4.681592 
1 1 1 -20 7   31 o 17.530  3.0857  52.029    15.238    21.413    26.673    66.863    18.566    13.464  5.2049  21.595  3.3158  -8.131042      6.171339 
1 1 1 -20 7   32 o 26.644  3.0823  112.604   19.247    87.270    33.142    125.496   23.642    23.483  5.3841  29.805  3.0023  -6.322535      6.164592 
1 1 1 -20 7   33 o 29.731  2.7132  125.790   20.094    141.880   34.757    117.713   24.627    30.794  4.3338  28.668  3.2654  2.125771       5.426311 
1 1 1 -20 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 7   35 o 14.966  3.0219  14.517    14.396    77.084    27.969    -8.0348   16.792    22.069  4.8628  7.8635  3.5889  14.20517       6.043766 
1 1 1 -20 7   36 o 13.744  3.1966  30.208    15.686    -4.0058   29.714    43.426    18.469    10.791  4.8647  16.697  4.1483  -5.905501      6.393250 
1 1 1 -20 7   37 o 11.026  3.1148  13.082    14.831    -13.8091  28.558    23.012    17.355    9.7038  4.5176  12.347  4.2894  -2.643567      6.229568 
1 1 1 -20 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 8   3  o 90.605  2.1753  1102.94   52.753    1094.87   75.890    1110.47   73.382    90.279  3.1384  90.931  3.0129  -0.6517563     4.350556 
1 1 1 -20 8   4  o 108.744 2.5077  1591.21   72.972    1554.71   104.752   1625.63   101.713   107.520 3.6373  109.967 3.4532  -2.447311      5.015452 
1 1 1 -20 8   5  o 44.261  1.8231  262.261   21.448    283.271   31.966    245.057   28.926    45.866  2.6128  42.656  2.5433  3.209911       3.646224 
1 1 1 -20 8   6  o 74.550  2.0878  742.446   41.572    819.600   61.314    676.803   56.556    78.117  2.9304  70.983  2.9746  7.133629       4.175591 
1 1 1 -20 8   7  o 158.720 3.3059  3398.74   140.491   3435.94   201.814   3363.76   195.696   159.550 4.7224  157.889 4.6274  1.660355       6.611703 
1 1 1 -20 8   8  o 132.619 5.8217  2385.28   206.797   0.0000    0.0000    2385.28   206.797   ?       ?       132.619 5.8217  ?              ?        
1 1 1 -20 8   9  o 59.938  1.9512  480.431   31.217    507.739   46.544    458.102   42.087    61.474  2.8267  58.401  2.6905  3.073338       3.902477 
1 1 1 -20 8   10 o 104.610 2.5635  1482.96   71.380    1352.72   103.689   1600.29   98.411    100.176 3.8644  109.043 3.3694  -8.866508      5.127024 
1 1 1 -20 8   11 o 158.130 3.3046  3381.89   139.914   3438.88   201.194   3328.52   194.702   159.406 4.7122  156.854 4.6343  2.551834       6.609205 
1 1 1 -20 8   12 o 88.644  2.7939  1057.98   61.605    1074.06   109.617   1050.56   74.480    88.946  4.6170  88.341  3.1477  0.6043625      5.587870 
1 1 1 -20 8   13 o 43.207  1.7656  251.699   20.342    244.660   28.566    258.939   28.974    42.590  2.5153  43.824  2.4785  -1.233971      3.531194 
1 1 1 -20 8   14 o 41.811  1.7737  236.011   19.763    241.267   27.768    230.616   28.133    42.290  2.4621  41.332  2.5537  0.9587173      3.547299 
1 1 1 -20 8   15 f 56.386  1.8499  427.861   27.937    419.773   39.244    436.169   39.778    55.845  2.6236  56.927  2.6088  -1.081802      3.699856 
1 1 1 -20 8   16 o 63.053  1.9303  535.711   32.598    533.489   45.782    537.996   46.424    62.922  2.7165  63.184  2.7432  -0.2614326     3.860585 
1 1 1 -20 8   17 o 112.521 2.5760  1717.15   77.616    1666.81   109.507   1767.97   110.027   110.846 3.6884  114.196 3.5972  -3.349670      5.152034 
1 1 1 -20 8   18 o 18.757  2.4066  49.014    11.127    48.875    13.760    49.277    18.913    18.821  2.8161  18.692  3.9035  0.1288338      4.813280 
1 1 1 -20 8   19 o 45.221  2.5135  286.004   27.276    264.325   49.612    295.396   32.654    43.744  4.2895  46.698  2.6213  -2.954453      5.026987 
1 1 1 -20 8   20 o 122.015 3.5186  2063.15   106.801   2052.81   189.344   2067.97   129.340   121.044 5.8401  122.986 3.9263  -1.942566      7.037264 
1 1 1 -20 8   21 o 44.065  2.0915  265.908   24.144    256.427   37.244    272.780   31.710    43.308  3.2340  44.822  2.6531  -1.513786      4.183074 
1 1 1 -20 8   22 o 21.773  2.4102  64.043    13.356    77.937    21.501    55.312    17.043    23.652  3.4996  19.895  3.3150  3.756994       4.820415 
1 1 1 -20 8   23 o 99.259  2.5548  1344.62   67.678    1410.92   100.918   1290.44   91.236    101.410 3.7154  97.109  3.5077  4.300346       5.109549 
1 1 1 -20 8   24 o 10.992  2.7028  15.108    10.277    1.1886    18.167    21.658    12.462    9.5727  4.0659  12.412  3.5622  -2.839271      5.405626 
1 1 1 -20 8   25 o 64.765  2.2035  564.712   37.838    638.997   58.839    512.328   49.410    68.294  3.2166  61.236  3.0125  7.057823       4.406972 
1 1 1 -20 8   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 8   27 o 19.009  2.8969  59.323    14.625    24.841    23.599    80.825    18.636    13.921  4.9873  24.098  2.9487  -10.17721      5.793787 
1 1 1 -20 8   28 o 15.031  2.8096  35.905    13.168    5.3662    22.227    52.420    16.345    10.867  4.5497  19.195  3.2979  -8.328068      5.619258 
1 1 1 -20 8   29 o 17.714  3.1088  48.356    14.236    39.849    24.959    52.458    17.332    16.351  5.1240  19.076  3.5218  -2.725092      6.217563 
1 1 1 -20 8   30 o 20.410  3.0836  66.938    15.835    46.427    26.543    78.271    19.730    17.369  5.2559  23.452  3.2264  -6.083029      6.167190 
1 1 1 -20 8   31 o 27.613  2.8620  114.772   19.158    102.877   32.307    121.224   23.793    25.961  4.8236  29.264  3.0817  -3.302803      5.724007 
1 1 1 -20 8   32 o 26.333  2.8104  96.990    18.533    124.066   31.732    82.973    22.832    28.859  4.2308  23.808  3.7006  5.050665       5.620850 
1 1 1 -20 8   33 o 19.415  3.2632  49.638    15.860    88.399    29.804    34.324    18.733    23.843  4.8323  14.986  4.3868  8.856872       6.526484 
1 1 1 -20 8   34 o 19.206  3.4420  58.603    16.866    57.071    30.526    59.276    20.235    18.575  5.6399  19.836  3.9472  -1.260948      6.884007 
1 1 1 -20 8   35 o 5.6749  1.9586  -25.0687  9.9853    -66.2666  20.002    -11.3935  11.524    5.4233  2.7454  5.9264  2.7941  -0.5030246     3.917145 
1 1 1 -20 8   36 o 25.995  3.5628  120.136   21.537    87.540    39.312    134.115   25.745    21.719  6.3541  30.271  3.2248  -8.552515      7.125593 
1 1 1 -20 9   1  o 52.925  2.5700  409.667   31.119    313.700   57.882    448.685   36.907    48.023  4.5543  57.828  2.3828  -9.804516      5.140010 
1 1 1 -20 9   2  o 45.618  1.7503  284.328   20.961    244.308   31.090    317.681   28.382    42.570  2.7411  48.666  2.1774  -6.095646      3.500680 
1 1 1 -20 9   3  o 128.024 2.7372  2206.04   93.856    2202.73   132.040   2209.44   133.434   127.929 3.8534  128.118 3.8884  -0.1889572     5.474328 
1 1 1 -20 9   4  o 91.558  2.2290  1126.59   54.654    1131.71   76.734    1121.31   77.865    91.772  3.1217  91.344  3.1825  0.4287033      4.457947 
1 1 1 -20 9   5  o 53.172  1.8033  379.997   25.595    352.457   35.877    408.543   36.526    51.171  2.6264  55.172  2.4717  -4.000786      3.606591 
1 1 1 -20 9   6  o 109.498 2.4699  1613.37   72.407    1555.81   102.288   1671.18   102.509   107.531 3.5514  111.464 3.4335  -3.932846      4.939803 
1 1 1 -20 9   7  o 111.509 3.0449  1683.36   86.686    1657.38   146.089   1697.48   107.695   110.719 4.9262  112.300 3.5804  -1.581795      6.089836 
1 1 1 -20 9   8  o 108.228 2.5374  1577.62   73.526    1627.75   103.962   1527.45   104.002   109.958 3.5298  106.498 3.6460  3.460213       5.074715 
1 1 1 -20 9   9  o 49.748  1.7757  332.841   23.601    316.882   33.173    349.199   33.585    48.504  2.5625  50.993  2.4589  -2.489658      3.551427 
1 1 1 -20 9   10 o 36.124  1.7899  176.131   17.208    173.316   24.145    179.036   24.530    35.829  2.5323  36.419  2.5304  -0.5896950     3.579856 
1 1 1 -20 9   11 o 109.211 2.4787  1607.95   72.503    1621.29   102.286   1594.48   102.786   109.672 3.4821  108.751 3.5287  0.9202576      4.957439 
1 1 1 -20 9   12 o 66.489  1.9750  594.863   35.167    601.029   49.451    588.553   50.020    66.841  2.7621  66.136  2.8237  0.7040863      3.950021 
1 1 1 -20 9   13 o 71.841  1.9928  694.748   38.345    684.170   53.908    705.580   54.552    71.287  2.8233  72.396  2.8133  -1.108192      3.985654 
1 1 1 -20 9   14 o 101.098 2.4098  1381.14   65.227    1420.01   91.924    1341.73   92.569    102.546 3.3467  99.649  3.4682  2.897133       4.819653 
1 1 1 -20 9   15 o 119.962 2.6958  1950.92   86.617    1961.47   122.117   1940.23   122.876   120.297 3.7899  119.627 3.8348  0.6702271      5.391628 
1 1 1 -20 9   16 o 66.954  1.9647  604.696   35.222    582.963   49.471    627.038   50.158    65.729  2.8100  68.180  2.7466  -2.450829      3.929381 
1 1 1 -20 9   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 9   18 o 53.023  1.8977  380.716   26.862    376.469   37.715    385.088   38.268    52.723  2.6795  53.323  2.6880  -0.5997429     3.795438 
1 1 1 -20 9   19 o 106.688 2.5484  1551.12   72.821    1543.57   102.591   1558.80   103.383   106.429 3.5988  106.947 3.6090  -0.5183029     5.096749 
1 1 1 -20 9   20 o 51.038  1.9121  353.715   26.033    357.942   36.385    349.282   37.262    51.364  2.6538  50.712  2.7535  0.6518745      3.824181 
1 1 1 -20 9   21 o 27.533  1.9188  103.639   13.952    102.813   19.255    104.552   20.243    27.429  2.6540  27.637  2.7719  -0.2084408     3.837661 
1 1 1 -20 9   22 o 30.055  1.9420  123.987   15.395    133.081   21.474    114.371   22.081    31.236  2.5901  28.873  2.8942  2.362482       3.883935 
1 1 1 -20 9   23 o 46.062  1.9099  289.647   23.412    306.491   32.856    272.271   33.371    47.460  2.5944  44.664  2.8037  2.796078       3.819875 
1 1 1 -20 9   24 o 18.909  2.3061  50.369    11.244    52.462    15.702    48.167    16.109    19.354  3.1363  18.465  3.3818  0.8889217      4.612244 
1 1 1 -20 9   25 o 23.001  3.1264  73.796    18.762    0.0000    0.0000    73.796    18.762    ?       ?       23.001  3.1264  ?              ?        
1 1 1 -20 9   26 o 33.837  1.9816  157.732   17.795    156.406   24.895    159.118   25.447    33.697  2.7831  33.977  2.8217  -0.2799187     3.963258 
1 1 1 -20 9   27 o 16.819  2.5703  41.291    11.254    47.388    15.573    34.626    16.283    18.232  3.3109  15.406  3.9325  2.825863       5.140655 
1 1 1 -20 9   28 f 25.345  3.1080  94.926    18.136    92.221    34.424    95.966    21.337    24.554  5.3827  26.135  3.1090  -1.581684      6.216026 
1 1 1 -20 9   29 o 9.3143  2.7722  -1.2867   10.840    14.813    20.754    -7.3265   12.712    11.788  4.5817  6.8402  3.1222  4.948188       5.544354 
1 1 1 -20 9   30 o 38.911  2.5901  224.431   25.075    191.442   40.882    244.326   31.748    36.016  4.3243  41.806  2.8523  -5.789314      5.180232 
1 1 1 -20 9   31 o 48.814  2.4698  341.551   30.877    339.291   50.674    342.885   38.940    48.242  3.9565  49.386  2.9574  -1.144840      4.939643 
1 1 1 -20 9   32 o 12.073  3.1133  19.521    13.502    3.3145    24.821    26.333    16.092    10.844  4.6815  13.301  4.1055  -2.456890      6.226656 
1 1 1 -20 9   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 9   34 o 29.278  3.1719  133.808   22.111    125.138   38.715    138.005   26.935    27.707  5.4109  30.850  3.3116  -3.142742      6.343815 
1 1 1 -20 9   35 o 11.218  3.2613  12.213    14.610    12.442    27.504    12.123    17.244    11.950  5.0351  10.487  4.1462  1.463516       6.522507 
1 1 1 -20 10  1  o 28.277  1.6051  107.970   12.055    108.617   17.111    107.332   16.986    28.362  2.2715  28.193  2.2685  0.1687965      3.210296 
1 1 1 -20 10  2  o 99.574  2.2883  1332.85   61.026    1328.85   85.746    1336.96   86.872    99.425  3.2198  99.724  3.2523  -0.2990112     4.576524 
1 1 1 -20 10  3  o 75.434  2.0135  764.630   40.667    776.581   56.994    752.234   58.043    76.039  2.7984  74.830  2.8959  1.209152       4.027066 
1 1 1 -20 10  4  o 81.695  2.1553  897.516   47.133    921.484   66.156    872.810   67.169    82.809  2.9827  80.580  3.1121  2.228790       4.310596 
1 1 1 -20 10  5  o 49.107  1.7918  324.559   23.482    314.406   32.957    335.027   33.466    48.323  2.5554  49.891  2.5124  -1.568092      3.583602 
1 1 1 -20 10  6  o 116.298 5.3878  1833.48   167.832   0.0000    0.0000    1833.48   167.832   ?       ?       116.298 5.3878  ?              ?        
1 1 1 -20 10  7  o 85.518  2.2326  983.803   51.140    989.216   72.380    978.407   72.266    85.754  3.1512  85.282  3.1636  0.4712601      4.465271 
1 1 1 -20 10  8  o 11.139  2.2126  17.174    6.9153    19.450    9.6097    14.728    9.9591    11.803  3.0257  10.475  3.2292  1.327426       4.425199 
1 1 1 -20 10  9  o 85.709  2.2313  989.247   51.189    1032.19   72.460    946.459   72.326    87.576  3.0890  83.842  3.2206  3.733757       4.462565 
1 1 1 -20 10  10 o 100.080 2.3702  1349.85   63.534    1336.32   89.780    1363.42   89.921    99.575  3.3662  100.585 3.3377  -1.010063      4.740392 
1 1 1 -20 10  11 o 80.939  2.1329  882.262   46.239    876.833   65.274    887.731   65.511    80.688  3.0202  81.189  3.0125  -0.5010529     4.265780 
1 1 1 -20 10  12 o 90.075  2.2366  1094.03   53.961    1092.66   76.137    1095.41   76.488    90.019  3.1577  90.130  3.1684  -0.1109009     4.473203 
1 1 1 -20 10  13 o 95.370  2.3270  1228.18   59.432    1198.22   83.752    1258.57   84.351    94.192  3.3197  96.549  3.2618  -2.357018      4.653972 
1 1 1 -20 10  14 o 87.596  2.2355  1036.61   52.442    1050.03   73.866    1022.98   74.465    88.175  3.1276  87.016  3.1950  1.159111       4.470962 
1 1 1 -20 10  15 o 75.133  2.0841  762.680   41.927    778.126   58.951    746.871   59.642    75.913  2.8993  74.353  2.9948  1.560509       4.168242 
1 1 1 -20 10  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 10  17 o 49.758  1.8651  335.228   24.763    326.693   34.687    344.101   35.364    49.109  2.6468  50.408  2.6284  -1.298912      3.730153 
1 1 1 -20 10  18 o 50.056  1.8744  339.611   25.035    335.755   34.953    343.673   35.876    49.768  2.6315  50.344  2.6701  -0.5760727     3.748848 
1 1 1 -20 10  19 o 67.696  2.0612  622.113   37.338    646.485   52.453    597.077   53.161    69.064  2.8355  66.328  2.9923  2.736397       4.122372 
1 1 1 -20 10  20 o 18.800  2.1912  49.196    10.640    47.524    14.669    51.053    15.456    18.461  3.0746  19.139  3.1227  -0.6773396     4.382307 
1 1 1 -20 10  21 o 35.643  1.8710  172.981   17.726    166.520   24.639    179.913   25.522    34.949  2.6518  36.337  2.6403  -1.388420      3.742088 
1 1 1 -20 10  22 f 27.464  1.9904  103.605   14.313    88.275    19.871    120.131   20.632    25.288  2.9918  29.640  2.6260  -4.352573      3.980785 
1 1 1 -20 10  23 o 41.766  1.9216  238.303   21.372    237.463   29.803    239.192   30.666    41.701  2.6825  41.832  2.7522  -0.1311150     3.843228 
1 1 1 -20 10  24 o 13.169  2.5847  24.564    9.7071    32.151    13.705    16.926    13.751    14.985  3.4811  11.352  3.8216  3.632282       5.169401 
1 1 1 -20 10  25 o 8.0284  3.2984  3.2683    11.381    3.2683    11.381    0.0000    0.0000    8.0284  3.2984  ?       ?       ?              ?        
1 1 1 -20 10  26 o 27.886  2.1643  109.224   15.449    81.955    21.476    138.470   22.241    24.074  3.4274  31.698  2.6437  -7.623627      4.328523 
1 1 1 -20 10  27 o 39.140  2.0399  212.851   21.192    223.175   29.631    202.042   30.320    40.170  2.7709  38.110  2.9945  2.059578       4.079796 
1 1 1 -20 10  28 o 20.348  2.3824  58.857    12.447    49.297    16.820    70.429    18.505    18.436  3.5347  22.260  3.1953  -3.823505      4.764893 
1 1 1 -20 10  29 o 48.487  2.0695  329.280   26.709    341.954   37.300    315.944   38.263    49.520  2.8238  47.455  3.0261  2.065102       4.138993 
1 1 1 -20 10  30 o 35.582  2.1126  179.379   19.793    201.435   27.890    156.999   28.094    37.937  2.7637  33.227  3.1961  4.710323       4.225282 
1 1 1 -20 10  31 o 8.7596  2.5018  3.1695    9.8909    13.483    13.450    -8.9781   14.596    10.330  3.7563  7.1897  3.3054  3.139822       5.003570 
1 1 1 -20 10  32 o 20.572  6.1591  72.033    36.592    0.0000    0.0000    72.033    36.592    ?       ?       20.572  6.1591  ?              ?        
1 1 1 -20 10  33 o 22.219  3.1641  66.295    17.522    120.139   31.544    42.270    21.071    28.066  4.3359  16.372  4.6095  11.69405       6.328299 
1 1 1 -20 10  34 o 13.457  3.3940  27.596    15.092    18.264    28.857    31.111    17.707    12.796  5.2541  14.117  4.2977  -1.320086      6.787926 
1 1 1 -20 10  35 o 15.468  3.5572  39.825    16.104    38.686    30.472    40.266    18.970    15.161  5.6302  15.776  4.3491  -0.6152143     7.114340 
1 1 1 -20 11  1  o 52.878  1.7391  375.400   24.624    363.481   34.738    387.435   34.909    52.032  2.4925  53.723  2.4260  -1.690639      3.478219 
1 1 1 -20 11  2  o 76.159  2.0042  779.152   40.872    753.394   57.369    805.701   58.243    74.879  2.8604  77.439  2.8080  -2.560440      4.008344 
1 1 1 -20 11  3  f 35.484  1.7216  170.968   16.124    193.300   22.621    147.906   22.988    37.886  2.2392  33.083  2.6156  4.803139       3.443112 
1 1 1 -20 11  4  o 58.936  1.9092  466.833   30.125    474.797   42.228    458.580   42.988    59.451  2.6519  58.420  2.7472  1.030636       3.818328 
1 1 1 -20 11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 11  6  o 65.467  1.9716  576.139   34.572    571.130   48.765    581.201   49.022    65.181  2.7932  65.754  2.7834  -0.5730286     3.943249 
1 1 1 -20 11  7  o 100.888 2.4341  1371.44   65.777    1372.52   93.048    1370.36   92.998    100.928 3.4420  100.848 3.4428  0.7937622E-01  4.868278 
1 1 1 -20 11  8  o 49.766  1.8535  333.857   24.619    335.992   34.833    331.725   34.800    49.927  2.6138  49.606  2.6285  0.3206406      3.706931 
1 1 1 -20 11  9  o 102.482 2.3995  1416.26   65.861    1400.25   93.129    1432.28   93.154    101.899 3.4121  103.065 3.3745  -1.166481      4.798912 
1 1 1 -20 11  10 o 60.375  1.9281  490.548   31.179    485.134   44.050    495.983   44.138    60.040  2.7391  60.710  2.7143  -0.6702843     3.856214 
1 1 1 -20 11  11 o 59.190  1.9203  471.724   30.443    476.328   42.984    467.092   43.122    59.482  2.6979  58.899  2.7334  0.5835495      3.840630 
1 1 1 -20 11  12 o 99.798  2.4139  1346.53   64.511    1376.24   91.155    1316.72   91.311    100.912 3.3725  98.684  3.4545  2.228546       4.827753 
1 1 1 -20 11  13 o 41.280  1.8066  230.469   19.871    236.012   28.054    224.887   28.150    41.786  2.5183  40.774  2.5909  1.011425       3.613145 
1 1 1 -20 11  14 o 70.049  2.0267  662.589   38.025    657.365   53.536    667.908   54.017    69.771  2.8647  70.328  2.8676  -0.5566864     4.053332 
1 1 1 -20 11  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 11  16 o 35.871  1.8285  174.696   17.446    176.913   24.528    172.425   24.820    36.109  2.5525  35.634  2.6188  0.4754448      3.656959 
1 1 1 -20 11  17 o 51.597  1.8977  361.048   26.130    360.064   36.555    362.076   37.365    51.531  2.6575  51.663  2.7097  -0.1317062     3.795315 
1 1 1 -20 11  18 o 90.629  2.3274  1118.15   56.493    1119.29   79.492    1116.98   80.301    90.684  3.2727  90.574  3.3100  0.1100769      4.654749 
1 1 1 -20 11  19 o 31.669  1.8883  137.240   15.812    146.258   22.044    127.684   22.691    32.781  2.5303  30.557  2.8037  2.223236       3.776618 
1 1 1 -20 11  20 o 37.859  1.8817  195.113   18.934    181.784   26.377    209.281   27.194    36.506  2.7170  39.211  2.6041  -2.705135      3.763410 
1 1 1 -20 11  21 o 33.931  1.9005  157.023   17.113    148.109   23.669    166.786   24.771    32.913  2.7090  34.949  2.6662  -2.036869      3.800964 
1 1 1 -20 11  22 o 21.632  2.1503  65.040    12.096    60.474    16.849    69.895    17.375    20.815  3.1181  22.448  2.9620  -1.633190      4.300677 
1 1 1 -20 11  23 o 35.131  1.9415  169.259   18.097    157.944   25.315    181.086   25.881    33.903  2.8132  36.358  2.6763  -2.455948      3.882917 
1 1 1 -20 11  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 11  25 o 23.858  2.3177  81.180    14.164    93.699    19.632    67.591    20.454    25.965  2.8709  21.752  3.6393  4.212950       4.635326 
1 1 1 -20 11  26 o 19.362  2.4846  54.079    12.378    58.033    17.200    49.833    17.827    20.189  3.2942  18.534  3.7203  1.655067       4.969177 
1 1 1 -20 11  27 o 44.721  2.0139  277.940   23.992    277.702   33.572    278.189   34.301    44.719  2.8172  44.723  2.8787  -0.4299164E-02 4.027850 
1 1 1 -20 11  28 f 41.360  2.0354  239.285   22.391    245.259   31.369    233.081   31.971    41.930  2.8094  40.791  2.9460  1.139133       4.070797 
1 1 1 -20 11  29 o 16.264  2.7653  39.700    11.900    41.372    16.474    37.876    17.207    16.670  3.7770  15.857  4.0399  0.8132505      5.530518 
1 1 1 -20 11  30 o 19.078  2.6422  53.334    12.978    39.228    17.474    70.690    19.382    16.088  4.0560  22.068  3.3872  -5.979893      5.284328 
1 1 1 -20 11  31 o 32.379  3.4924  164.627   24.565    155.882   49.307    167.514   28.331    30.481  6.2491  34.276  3.1200  -3.795094      6.984713 
1 1 1 -20 11  32 o 27.534  2.3796  108.996   16.959    89.237    22.879    133.094   25.267    24.629  3.5725  30.439  3.1444  -5.809578      4.759183 
1 1 1 -20 11  33 o 12.998  2.6212  20.224    11.563    -1.2304   15.375    48.155    17.543    8.2153  3.6129  17.782  3.7987  -9.566291      5.242422 
1 1 1 -20 11  34 o 29.118  2.3642  125.217   18.067    121.423   24.641    129.629   26.568    28.702  3.2633  29.535  3.4218  -0.8325043     4.728390 
1 1 1 -20 12  1  o 32.708  1.7030  145.171   14.673    122.924   20.692    167.676   20.811    30.140  2.5883  35.275  2.2138  -5.135406      3.405907 
1 1 1 -20 12  2  o 79.230  2.0635  844.075   43.786    845.877   61.528    842.226   62.325    79.318  2.8961  79.142  2.9401  0.1760941      4.126969 
1 1 1 -20 12  3  o 29.581  3.8409  119.963   29.714    0.0000    0.0000    119.963   29.714    ?       ?       29.581  3.8409  ?              ?        
1 1 1 -20 12  4  o 80.030  2.5572  865.633   51.872    867.964   64.009    861.175   88.537    80.325  2.9751  79.736  4.1600  0.5897675      5.114346 
1 1 1 -20 12  5  o 101.501 2.4081  1388.19   65.462    1358.39   92.267    1418.40   92.890    100.400 3.4310  102.603 3.3800  -2.202972      4.816292 
1 1 1 -20 12  6  o 137.712 2.9784  2565.24   109.847   2514.70   155.244   2615.92   155.450   136.340 4.2511  139.083 4.1728  -2.742416      5.956879 
1 1 1 -20 12  7  o 57.143  1.9500  439.299   29.846    436.197   42.181    442.410   42.236    56.940  2.7657  57.346  2.7497  -0.4056168     3.900005 
1 1 1 -20 12  8  o 13.476  2.2466  25.608    8.2666    36.460    11.720    14.863    11.662    16.232  2.7966  10.720  3.5168  5.512164       4.493155 
1 1 1 -20 12  9  o 44.227  1.8286  264.078   21.567    267.581   30.577    260.611   30.423    44.522  2.5751  43.933  2.5969  0.5887680      3.657184 
1 1 1 -20 12  10 o 60.781  1.9358  497.639   31.514    492.644   44.559    502.639   44.577    60.474  2.7509  61.088  2.7243  -0.6138420     3.871614 
1 1 1 -20 12  11 o 93.216  2.3358  1174.65   58.310    1149.24   82.361    1200.18   82.565    92.197  3.3351  94.235  3.2711  -2.037918      4.671552 
1 1 1 -20 12  12 o 101.565 2.4681  1397.58   67.142    1403.03   94.882    1392.12   95.025    101.767 3.4809  101.364 3.5000  0.4027252      4.936244 
1 1 1 -20 12  13 o 7.4787  2.1022  3.9362    6.2911    4.1887    9.1793    3.7125    8.6391    7.6175  3.0209  7.3400  2.9244  0.2775350      4.204461 
1 1 1 -20 12  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 12  15 o 52.853  1.9177  378.693   27.055    380.235   38.128    377.128   38.397    52.965  2.6966  52.740  2.7274  0.2246246      3.835404 
1 1 1 -20 12  16 o 80.603  2.2034  883.055   47.513    929.684   67.054    836.035   67.333    82.774  3.0244  78.432  3.2051  4.342392       4.406809 
1 1 1 -20 12  17 o 46.695  1.8722  296.101   23.318    294.098   32.741    298.163   33.219    46.537  2.6375  46.854  2.6579  -0.3164749     3.744434 
1 1 1 -20 12  18 o 52.076  1.9191  368.585   26.673    364.276   37.446    373.023   38.004    51.768  2.7100  52.385  2.7179  -0.6171989     3.838113 
1 1 1 -20 12  19 o 55.492  1.9505  418.055   28.988    413.812   40.663    422.440   41.337    55.208  2.7498  55.776  2.7670  -0.5678215     3.900976 
1 1 1 -20 12  20 o 36.774  1.9093  184.689   18.667    184.744   26.022    184.629   26.794    36.791  2.6586  36.757  2.7412  0.3328705E-01  3.818644 
1 1 1 -20 12  21 o 53.195  1.9716  385.979   27.976    355.198   39.133    418.154   40.009    50.957  2.8789  55.433  2.6947  -4.476418      3.943285 
1 1 1 -20 12  22 o 34.468  1.9471  163.187   17.806    165.454   24.720    160.743   25.670    34.742  2.6771  34.195  2.8281  0.5465813      3.894224 
1 1 1 -20 12  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 12  24 o 32.369  2.0569  145.478   17.596    154.982   24.721    135.718   25.052    33.497  2.7804  31.241  3.0320  2.255976       4.113816 
1 1 1 -20 12  25 o 25.009  2.1823  87.278    14.259    79.586    19.305    96.511    21.150    23.782  3.1048  26.236  3.0676  -2.454493      4.364576 
1 1 1 -20 12  26 o 24.216  2.2569  83.197    14.252    85.476    19.765    80.729    20.570    24.618  3.0637  23.814  3.3147  0.8034859      4.513719 
1 1 1 -20 12  27 o 12.384  2.7313  21.948    10.441    29.189    14.314    13.716    15.263    14.052  3.7379  10.716  3.9836  3.335455       5.462676 
1 1 1 -20 12  28 o 13.812  2.7666  27.901    10.681    23.541    14.198    33.584    16.212    12.669  3.8464  14.956  3.9778  -2.287183      5.533286 
1 1 1 -20 12  29 o 23.709  2.4177  81.764    14.839    88.629    20.803    74.653    21.173    24.850  3.1997  22.568  3.6253  2.282084       4.835395 
1 1 1 -20 12  30 o 24.540  2.4298  88.072    15.398    96.979    21.417    78.540    22.155    26.007  3.1379  23.074  3.7106  2.933525       4.859527 
1 1 1 -20 12  31 o 40.829  2.9965  237.104   32.541    237.104   32.541    0.0000    0.0000    40.829  2.9965  ?       ?       ?              ?        
1 1 1 -20 12  32 o 8.2330  2.5041  1.2864    9.8711    0.8729    13.016    1.8463    15.144    7.8949  3.3992  8.5712  3.6780  -0.6763315     5.008236 
1 1 1 -20 12  33 o 13.172  2.6861  23.429    12.466    48.838    17.492    -2.7958   17.770    17.804  3.7847  8.5408  3.8129  9.262917       5.372290 
1 1 1 -20 13  1  o 113.621 5.3565  1755.34   163.016   0.0000    0.0000    1755.34   163.016   ?       ?       113.621 5.3565  ?              ?        
1 1 1 -20 13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 13  3  o 101.317 2.3932  1383.65   64.939    1384.24   91.239    1383.04   92.450    101.343 3.3612  101.290 3.4076  0.5259705E-01  4.786392 
1 1 1 -20 13  4  o 47.798  1.8494  308.054   23.584    304.499   33.051    311.742   33.664    47.517  2.6068  48.078  2.6240  -0.5612602     3.698781 
1 1 1 -20 13  5  o 61.202  1.9527  503.970   32.009    499.756   44.969    508.297   45.573    60.943  2.7548  61.461  2.7683  -0.5171356     3.905490 
1 1 1 -20 13  6  o 65.096  1.9935  570.474   34.758    566.432   49.007    574.566   49.306    64.864  2.8208  65.328  2.8178  -0.4644699     3.987058 
1 1 1 -20 13  7  o 51.062  1.8959  352.008   25.826    364.408   36.549    339.643   36.499    51.969  2.6342  50.154  2.7273  1.815323       3.791721 
1 1 1 -20 13  8  o 39.832  1.8366  214.532   19.481    208.286   27.570    220.761   27.530    39.244  2.6381  40.419  2.5560  -1.174992      3.673298 
1 1 1 -20 13  9  o 116.002 2.6778  1823.95   83.198    1812.50   117.831   1835.34   117.489   115.632 3.8045  116.371 3.7693  -0.7391663     5.355518 
1 1 1 -20 13  10 o 28.802  1.8464  112.727   14.083    115.881   19.889    109.554   19.945    29.216  2.5677  28.387  2.6539  0.8287544      3.692708 
1 1 1 -20 13  11 o 43.016  1.8333  250.415   21.023    248.282   29.782    252.534   29.681    42.830  2.6085  43.202  2.5768  -0.3718414     3.666628 
1 1 1 -20 13  12 o 133.843 2.9728  2447.45   106.560   2402.48   150.667   2492.46   150.729   132.588 4.2425  135.097 4.1655  -2.508759      5.945599 
1 1 1 -20 13  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 13  14 o 71.027  2.0841  683.900   39.635    701.982   55.939    665.671   56.165    71.983  2.9013  70.071  2.9926  1.912079       4.168107 
1 1 1 -20 13  15 o 38.549  1.8699  202.165   19.167    191.283   27.110    213.038   27.101    37.490  2.7182  39.608  2.5684  -2.117405      3.739728 
1 1 1 -20 13  16 o 63.931  2.0175  554.817   34.526    576.694   48.787    532.867   48.867    65.211  2.7932  62.651  2.9121  2.560799       4.035086 
1 1 1 -20 13  17 f 44.588  1.8842  270.572   22.387    278.907   31.544    262.112   31.778    45.296  2.6110  43.879  2.7172  1.416656       3.768329 
1 1 1 -20 13  18 o 105.775 2.5543  1535.15   72.360    1550.45   102.017   1519.67   102.650   106.326 3.5821  105.224 3.6421  1.102226       5.108515 
1 1 1 -20 13  19 o 59.668  1.9858  484.545   31.736    486.813   44.744    482.250   45.019    59.814  2.7928  59.523  2.8237  0.2914314      3.971568 
1 1 1 -20 13  20 o 53.963  1.9794  397.867   28.508    387.400   40.040    408.628   40.597    53.234  2.8181  54.692  2.7805  -1.457397      3.958894 
1 1 1 -20 13  21 o 12.177  2.5396  20.238    9.2392    11.966    12.872    29.029    13.270    10.126  3.6759  14.227  3.5051  -4.101180      5.079122 
1 1 1 -20 13  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 13  23 o 43.250  2.0376  259.570   23.332    284.764   32.612    233.152   33.394    45.504  2.6876  40.997  3.0632  4.507339       4.075123 
1 1 1 -20 13  24 o 37.021  2.0368  190.313   20.027    194.725   28.132    185.780   28.518    37.484  2.8227  36.558  2.9372  0.9263077      4.073618 
1 1 1 -20 13  25 o 30.663  2.1251  132.579   17.100    143.338   23.617    120.723   24.792    32.089  2.7750  29.238  3.2192  2.851789       4.250124 
1 1 1 -20 13  26 o 12.830  2.7646  23.915    10.448    19.956    14.781    27.869    14.772    11.931  3.9613  13.729  3.8574  -1.797881      5.529188 
1 1 1 -20 13  27 o 18.069  2.6224  48.548    12.226    51.204    16.629    45.423    18.036    18.730  3.4414  17.408  3.9577  1.322319       5.244739 
1 1 1 -20 13  28 o 25.716  2.3167  95.560    15.490    103.923   21.597    86.700    22.230    27.016  3.0372  24.416  3.4992  2.600479       4.633420 
1 1 1 -20 13  29 o 14.352  2.8185  31.472    11.358    36.374    15.419    25.657    16.793    15.559  3.7450  13.145  4.2130  2.414387       5.636915 
1 1 1 -20 13  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 13  31 o 27.848  2.3720  113.442   17.263    114.362   23.501    112.363   25.442    28.087  3.1798  27.609  3.5205  0.4782486      4.743950 
1 1 1 -20 13  32 o 28.843  2.4087  122.972   18.157    109.330   25.161    137.797   26.229    27.037  3.5611  30.650  3.2443  -3.612593      4.817330 
1 1 1 -20 14  1  o 80.427  2.0950  870.917   45.128    858.813   63.431    883.323   64.217    79.860  2.9654  80.993  2.9601  -1.132347      4.189973 
1 1 1 -20 14  2  o 45.122  1.7813  274.589   21.438    266.534   30.142    282.834   30.497    44.447  2.5424  45.796  2.4956  -1.349018      3.562589 
1 1 1 -20 14  3  o 65.728  1.9713  581.378   34.685    554.152   48.591    609.662   49.527    64.154  2.8278  67.301  2.7475  -3.146599      3.942678 
1 1 1 -20 14  4  o 59.226  1.9258  472.096   30.539    454.415   42.842    490.360   43.543    58.096  2.7532  60.356  2.6935  -2.260815      3.851596 
1 1 1 -20 14  5  o 60.886  1.9816  499.290   32.312    488.281   45.409    510.582   45.988    60.204  2.8159  61.567  2.7887  -1.362904      3.963144 
1 1 1 -20 14  6  o 10.363  2.2551  14.173    7.0005    10.149    9.7188    18.513    10.092    9.1936  3.2090  11.533  3.1692  -2.339444      4.510205 
1 1 1 -20 14  7  o 52.210  1.9064  368.298   26.568    365.811   37.570    370.786   37.575    52.032  2.7051  52.388  2.6869  -0.3567352     3.812719 
1 1 1 -20 14  8  o 73.363  2.1208  726.883   41.667    743.760   59.012    710.104   58.840    74.219  2.9685  72.508  3.0297  1.710976       4.241571 
1 1 1 -20 14  9  o 58.595  1.9448  463.359   30.523    466.941   43.215    459.794   43.117    58.822  2.7429  58.368  2.7579  0.4543686      3.889660 
1 1 1 -20 14  10 o 58.031  1.9600  454.910   30.454    470.907   43.211    439.122   42.928    59.052  2.7319  57.010  2.8113  2.041656       3.920032 
1 1 1 -20 14  11 o 42.025  1.8818  239.689   21.047    226.500   29.768    252.871   29.761    40.849  2.7366  43.201  2.5838  -2.352619      3.763598 
1 1 1 -20 14  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 14  13 o 35.774  1.8605  174.027   17.702    174.540   25.021    173.511   25.048    35.828  2.6256  35.719  2.6367  0.1087379      3.720979 
1 1 1 -20 14  14 o 25.992  1.9796  93.253    13.373    77.148    18.871    109.497   18.952    23.642  3.0514  28.343  2.5228  -4.701633      3.959201 
1 1 1 -20 14  15 o 51.518  1.9423  360.994   26.700    367.622   37.706    354.329   37.813    52.002  2.7165  51.034  2.7767  0.9684677      3.884505 
1 1 1 -20 14  16 o 60.936  1.9898  504.521   32.467    516.432   45.787    492.476   46.043    61.673  2.7718  60.200  2.8555  1.472580       3.979543 
1 1 1 -20 14  17 o 51.898  1.9598  367.227   27.131    378.930   38.311    355.452   38.428    52.746  2.7210  51.050  2.8214  1.696632       3.919654 
1 1 1 -20 14  18 o 78.528  2.2215  843.186   46.726    839.196   65.840    847.235   66.324    78.343  3.1376  78.713  3.1458  -0.3701248     4.443072 
1 1 1 -20 14  19 o 18.983  2.3464  51.206    11.420    43.141    16.256    59.066    16.048    17.382  3.6095  20.583  2.9990  -3.200459      4.692799 
1 1 1 -20 14  20 o 18.476  2.4232  48.783    11.498    39.941    16.210    57.735    16.310    16.659  3.7262  20.294  3.0988  -3.634338      4.846344 
1 1 1 -20 14  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 14  22 o 38.991  1.9861  209.801   20.594    204.188   28.612    215.835   29.664    38.452  2.7972  39.529  2.8203  -1.077023      3.972189 
1 1 1 -20 14  23 o 39.347  2.0203  214.645   21.116    199.872   29.487    230.194   30.253    37.919  2.9259  40.776  2.7867  -2.856670      4.040610 
1 1 1 -20 14  24 o 52.242  2.0478  379.780   28.536    382.777   40.037    376.687   40.683    52.476  2.8592  52.007  2.9325  0.4692688      4.095700 
1 1 1 -20 14  25 o 9.7308  2.3783  5.7815    9.3535    -12.1282  12.986    25.089    13.483    6.3985  3.0008  13.063  3.6906  -6.664553      4.756592 
1 1 1 -20 14  26 o 22.146  2.3754  70.943    13.637    73.583    19.212    68.263    19.360    22.612  3.2670  21.681  3.4493  0.9307652      4.750839 
1 1 1 -20 14  27 o 8.4380  2.3877  2.2618    9.3137    13.689    12.249    -13.3969  14.339    10.200  3.5996  6.6755  3.1378  3.524910       4.775301 
1 1 1 -20 14  28 o 16.372  2.7522  40.836    12.355    24.725    17.361    57.367    17.586    12.970  4.2926  19.774  3.4455  -6.804214      5.504317 
1 1 1 -20 14  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 14  30 o 28.328  2.3964  117.645   17.747    119.881   24.264    115.074   26.025    28.743  3.2063  27.912  3.5623  0.8315792      4.792738 
1 1 1 -20 14  31 o 14.970  2.9129  35.526    12.815    49.718    17.873    20.510    18.385    17.952  3.8336  11.988  4.3868  5.963566       5.825861 
1 1 1 -20 15  1  o 78.014  2.0673  820.191   43.185    793.378   60.712    847.652   61.441    76.719  2.9545  79.310  2.8923  -2.591431      4.134526 
1 1 1 -20 15  2  o 18.660  2.0607  48.033    9.9621    48.486    14.170    47.590    14.009    18.748  2.9164  18.571  2.9121  0.1773186      4.121375 
1 1 1 -20 15  3  o 120.104 2.6862  1954.28   86.355    1859.59   121.340   2051.46   122.926   117.132 3.8676  123.077 3.7289  -5.945953      5.372396 
1 1 1 -20 15  4  o 68.133  2.0287  625.919   37.019    614.282   51.946    637.927   52.770    67.489  2.8736  68.778  2.8645  -1.288132      4.057475 
1 1 1 -20 15  5  o 29.125  1.8633  115.263   14.355    107.451   20.164    123.290   20.440    28.104  2.7124  30.146  2.5554  -2.042116      3.726555 
1 1 1 -20 15  6  o 104.469 2.5240  1479.72   70.613    1444.55   99.673    1515.17   100.050   103.210 3.6055  105.729 3.5329  -2.518791      5.047908 
1 1 1 -20 15  7  o 49.851  1.9338  336.416   25.722    332.927   36.336    339.920   36.418    49.589  2.7463  50.113  2.7233  -0.5240097     3.867674 
1 1 1 -20 15  8  o 62.135  1.9847  521.791   33.015    502.990   46.642    540.668   46.737    61.003  2.8545  63.266  2.7581  -2.262810      3.969304 
1 1 1 -20 15  9  o 22.892  2.0601  72.165    12.254    82.002    17.494    62.691    17.169    24.488  2.7127  21.295  3.1011  3.192844       4.120178 
1 1 1 -20 15  10 o 42.917  4.2200  254.778   47.883    0.0000    0.0000    254.778   47.883    ?       ?       42.917  4.2200  ?              ?        
1 1 1 -20 15  11 o 14.823  2.2072  31.199    9.3361    56.707    13.456    7.5228    12.964    20.332  2.5253  9.3141  3.6208  11.01805       4.414438 
1 1 1 -20 15  12 o 51.722  1.9510  363.629   26.879    330.173   37.891    397.519   38.136    49.253  2.8848  54.191  2.6274  -4.937874      3.901929 
1 1 1 -20 15  13 o 50.150  1.9430  342.043   25.999    341.015   36.872    343.059   36.665    50.071  2.7599  50.228  2.7356  -0.1570511     3.885995 
1 1 1 -20 15  14 o 38.433  1.8990  201.278   19.425    203.699   27.507    198.870   27.436    38.668  2.6722  38.198  2.6990  0.4698753      3.798029 
1 1 1 -20 15  15 o 29.530  1.9452  119.402   15.205    115.966   21.344    122.942   21.664    29.089  2.7730  29.970  2.7287  -0.8803577     3.890430 
1 1 1 -20 15  16 o 23.954  2.0864  79.628    12.977    91.198    18.438    68.269    18.269    25.767  2.7123  22.141  3.1711  3.625298       4.172799 
1 1 1 -20 15  17 o 34.954  1.9377  167.366   17.991    171.081   25.380    163.614   25.506    35.357  2.7004  34.550  2.7797  0.8065529      3.875447 
1 1 1 -20 15  18 o 29.941  2.0111  123.648   15.897    114.884   22.504    132.376   22.459    28.839  2.9550  31.043  2.7288  -2.203693      4.022271 
1 1 1 -20 15  19 o 14.798  2.4753  31.382    10.324    14.309    14.419    49.342    14.788    10.864  3.8977  18.733  3.0524  -7.869422      4.950676 
1 1 1 -20 15  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 15  21 o 46.069  1.9958  292.957   24.475    273.419   34.221    313.417   35.019    44.458  2.8894  47.679  2.7538  -3.220715      3.991539 
1 1 1 -20 15  22 o 16.740  2.6168  40.757    11.567    28.249    15.897    54.832    16.863    13.907  4.0325  19.574  3.3361  -5.666443      5.233625 
1 1 1 -20 15  23 o 32.640  2.0686  149.153   17.883    154.475   25.311    143.849   25.270    33.251  2.8700  32.028  2.9799  1.223339       4.137249 
1 1 1 -20 15  24 o 33.905  2.0767  161.527   18.634    149.013   26.054    174.632   26.661    32.503  3.0275  35.307  2.8434  -2.804386      4.153397 
1 1 1 -20 15  25 o 10.120  2.7005  11.824    10.007    12.955    13.930    10.618    14.386    10.307  3.8108  9.9335  3.8274  0.3735247      5.401023 
1 1 1 -20 15  26 o 22.530  2.5217  74.567    14.563    61.866    20.378    87.825    20.820    20.357  3.8790  24.704  3.2233  -4.347052      5.043427 
1 1 1 -20 15  27 o 12.105  2.8486  21.012    10.919    25.008    15.349    16.917    15.537    12.953  4.0116  11.258  4.0453  1.694620       5.697121 
1 1 1 -20 15  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 15  29 f 18.604  2.8541  53.715    13.775    57.683    18.647    48.948    20.439    19.572  3.6924  17.637  4.3530  1.934948       5.708123 
1 1 1 -20 15  30 o 11.550  2.8689  17.857    11.659    28.878    16.649    7.2514    16.332    13.570  4.1739  9.5294  3.9371  4.040943       5.737752 
1 1 1 -20 16  1  o 71.588  2.0135  691.371   38.607    690.946   54.338    691.805   54.863    71.568  2.8346  71.608  2.8604  -0.3970337E-01 4.027055 
1 1 1 -20 16  2  f 73.664  2.0434  732.905   40.290    757.385   56.681    707.902   57.282    74.921  2.8245  72.407  2.9536  2.514015       4.086727 
1 1 1 -20 16  3  o 82.784  2.1769  926.218   48.264    913.167   67.712    939.698   68.814    82.192  3.0757  83.376  3.0814  -1.184006      4.353748 
1 1 1 -20 16  4  o 40.343  1.8217  220.341   19.579    219.519   27.463    221.190   27.921    40.269  2.5594  40.417  2.5929  -0.1479301     3.643302 
1 1 1 -20 16  5  o 34.081  1.8657  157.807   16.881    163.998   23.736    151.470   24.012    34.774  2.5665  33.388  2.7084  1.386456       3.731309 
1 1 1 -20 16  6  o 29.000  1.8974  114.636   14.531    105.027   20.439    124.456   20.662    27.740  2.7886  30.259  2.5738  -2.518356      3.794849 
1 1 1 -20 16  7  o 38.195  1.8794  198.032   19.105    193.579   26.859    202.592   27.181    37.755  2.6732  38.635  2.6425  -0.8791389     3.758827 
1 1 1 -20 16  8  o 28.816  1.9304  113.363   14.710    108.733   20.811    117.986   20.794    28.211  2.7908  29.421  2.6677  -1.210724      3.860757 
1 1 1 -20 16  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 16  10 o 46.529  1.9271  294.661   23.863    273.934   33.755    315.368   33.739    44.861  2.8236  48.197  2.6234  -3.336521      3.854208 
1 1 1 -20 16  11 o 23.728  2.0591  77.699    12.763    70.748    18.019    84.696    18.079    22.614  3.0530  24.842  2.7639  -2.228472      4.118204 
1 1 1 -20 16  12 o 24.195  2.0875  81.005    13.078    67.144    18.273    95.558    18.724    21.976  3.1982  26.413  2.6839  -4.436840      4.175090 
1 1 1 -20 16  13 o 32.428  1.9558  143.824   16.809    151.680   23.951    136.199   23.596    33.320  2.7070  31.535  2.8235  1.785328       3.911517 
1 1 1 -20 16  14 o 31.283  1.9728  134.349   16.294    121.611   22.989    147.208   23.098    29.745  2.9233  32.821  2.6500  -3.076775      3.945668 
1 1 1 -20 16  15 o 34.069  1.9683  159.054   17.804    159.953   25.130    158.148   25.228    34.170  2.7696  33.968  2.7977  0.2022552      3.936692 
1 1 1 -20 16  16 o 22.195  2.2285  69.133    12.693    56.426    17.803    82.270    18.102    19.986  3.4504  24.404  2.8214  -4.417978      4.457055 
1 1 1 -20 16  17 o 33.472  1.9851  154.145   17.629    157.456   24.921    150.828   24.941    33.845  2.7734  33.099  2.8409  0.7457848      3.970148 
1 1 1 -20 16  18 o 22.243  2.2686  69.386    13.064    78.253    18.881    61.242    18.094    23.677  3.0480  20.808  3.3610  2.868546       4.537265 
1 1 1 -20 16  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 16  20 o 57.613  2.0911  459.783   32.156    466.535   45.392    452.980   45.560    58.057  2.9285  57.169  2.9857  0.8880959      4.182127 
1 1 1 -20 16  21 o 35.028  2.0490  170.999   19.049    172.259   26.778    169.708   27.103    35.174  2.8673  34.882  2.9280  0.2913246      4.098060 
1 1 1 -20 16  22 o 7.4192  2.2226  -3.9468   8.2836    8.8660    12.442    -14.1471  11.101    9.2725  3.5629  5.5659  2.6580  3.706623       4.445153 
1 1 1 -20 16  23 o 6.2061  2.0271  -8.9628   7.9851    -13.5386  11.193    -4.2206   11.395    5.6440  2.6880  6.7683  3.0351  -1.124359      4.054242 
1 1 1 -20 16  24 o 24.066  2.3650  83.902    14.735    74.550    20.876    93.186    20.800    22.588  3.5691  25.544  3.1038  -2.956379      4.729926 
1 1 1 -20 16  25 o 21.873  2.5676  70.903    14.360    57.982    20.261    83.945    20.356    19.619  3.9914  24.127  3.2311  -4.508038      5.135297 
1 1 1 -20 16  26 o 33.718  2.1867  162.698   19.468    173.393   27.309    151.645   27.762    34.951  2.9445  32.485  3.2336  2.466572       4.373348 
1 1 1 -20 16  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 16  28 o 29.841  2.3782  131.018   18.486    146.714   25.898    114.714   26.394    31.896  3.0692  27.785  3.6336  4.111309       4.756385 
1 1 1 -20 16  29 o 27.866  2.4182  115.723   17.573    124.109   24.487    106.818   25.234    29.090  3.1953  26.642  3.6306  2.447508       4.836433 
1 1 1 -20 17  1  o 13.148  2.2260  24.315    8.5556    40.419    12.027    7.8149    12.174    17.097  2.7172  9.1992  3.5267  7.897458       4.452080 
1 1 1 -20 17  2  o 81.088  2.1456  890.930   46.547    933.810   65.526    847.251   66.132    83.085  2.9444  79.092  3.1217  3.993340       4.291240 
1 1 1 -20 17  3  o 67.031  2.0235  607.809   36.322    612.035   50.963    603.447   51.781    67.275  2.8282  66.786  2.8946  0.4889374      4.046947 
1 1 1 -20 17  4  o 48.253  1.8743  315.424   24.119    302.345   33.777    329.031   34.452    47.223  2.6814  49.282  2.6194  -2.059654      3.748520 
1 1 1 -20 17  5  o 56.355  1.9548  430.201   29.443    413.083   41.364    447.782   41.920    55.174  2.8082  57.535  2.7202  -2.361126      3.909688 
1 1 1 -20 17  6  o 15.709  2.3191  35.257    9.4886    46.041    13.415    24.459    13.423    18.227  2.8402  13.191  3.6668  5.036315       4.638180 
1 1 1 -20 17  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 17  8  o 13.797  2.4222  26.996    8.9148    28.208    12.553    25.763    12.662    14.107  3.3686  13.487  3.4815  0.6208534      4.844414 
1 1 1 -20 17  9  o 40.671  1.9337  225.397   20.925    214.378   29.498    236.557   29.687    39.650  2.7955  41.691  2.6726  -2.041046      3.867455 
1 1 1 -20 17  10 o 26.181  2.0153  94.257    13.864    102.246   19.725    86.457    19.491    27.317  2.7326  25.045  2.9630  2.272238       4.030634 
1 1 1 -20 17  11 o 20.749  2.2032  60.022    11.842    63.982    16.708    56.025    16.786    21.483  2.9842  20.015  3.2420  1.467527       4.406358 
1 1 1 -20 17  12 o 40.912  1.9688  228.766   21.431    220.466   30.397    236.970   30.220    40.153  2.8448  41.671  2.7225  -1.518047      3.937601 
1 1 1 -20 17  13 o 28.192  2.0586  110.008   15.185    95.327    21.523    124.559   21.428    26.233  3.1246  30.152  2.6812  -3.919027      4.117256 
1 1 1 -20 17  14 o 59.036  2.0545  475.916   32.484    469.982   45.962    481.837   45.917    58.661  2.9253  59.411  2.8854  -0.7508736     4.108902 
1 1 1 -20 17  15 o 35.417  2.0087  172.555   18.869    162.462   26.641    182.714   26.728    34.344  2.9239  36.490  2.7550  -2.146191      4.017347 
1 1 1 -20 17  16 o 36.801  2.0080  186.708   19.562    167.719   27.489    206.189   27.843    34.844  2.9738  38.758  2.6989  -3.913815      4.015934 
1 1 1 -20 17  17 o 19.006  2.4171  51.523    11.846    53.210    16.625    49.782    16.885    19.358  3.3262  18.654  3.5081  0.7042656      4.834253 
1 1 1 -20 17  18 o 50.386  4.7804  369.165   63.743    369.165   63.743    0.0000    0.0000    50.386  4.7804  ?       ?       ?              ?        
1 1 1 -20 17  19 o 8.7169  2.3329  0.7272    9.0211    18.330    12.973    -15.7557  12.553    11.488  3.7051  5.9458  2.8358  5.542272       4.665797 
1 1 1 -20 17  20 o 31.116  2.0985  135.696   17.260    142.317   24.443    129.111   24.376    31.914  2.8908  30.318  3.0428  1.595619       4.197062 
1 1 1 -20 17  21 o 14.911  2.7727  33.010    11.261    37.518    16.227    28.820    15.642    15.883  3.8534  13.939  3.9879  1.944048       5.545480 
1 1 1 -20 17  22 o 11.319  2.7103  17.106    9.9975    23.593    14.510    11.243    13.794    12.683  3.8958  9.9551  3.7690  2.727521       5.420606 
1 1 1 -20 17  23 o 35.954  2.1536  183.476   20.536    187.997   28.939    178.890   29.147    36.439  2.9914  35.470  3.0991  0.9683456      4.307292 
1 1 1 -20 17  24 o 24.092  2.4111  84.471    15.116    81.374    21.282    87.624    21.474    23.607  3.4692  24.577  3.3493  -0.9696293     4.822184 
1 1 1 -20 17  25 o 18.440  2.7471  51.560    13.185    63.519    18.841    40.084    18.457    20.761  3.5135  16.118  4.2240  4.643173       5.494262 
1 1 1 -20 17  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 17  27 o 37.421  2.2372  203.255   22.137    212.897   30.693    192.803   31.958    38.493  3.0007  36.350  3.3190  2.143017       4.474314 
1 1 1 -20 17  28 o 26.316  2.5583  104.705   17.331    88.112    24.345    121.755   24.678    23.906  3.9392  28.726  3.2654  -4.820250      5.116661 
1 1 1 -20 18  1  o 29.781  1.8494  120.792   14.590    126.859   20.768    114.879   20.503    30.535  2.5629  29.028  2.6669  1.507435       3.698739 
1 1 1 -20 18  2  o 29.127  1.8750  115.671   14.465    118.658   20.547    112.737   20.367    29.508  2.6272  28.747  2.6759  0.7607613      3.750056 
1 1 1 -20 18  3  o 16.189  2.3149  37.103    9.6752    40.317    13.355    33.552    14.036    16.986  3.0473  15.393  3.4855  1.592881       4.629728 
1 1 1 -20 18  4  o 7.7689  2.1601  4.7672    6.5898    5.6980    8.9697    3.6756    9.7136    7.8806  3.0258  7.6573  3.0835  0.2232199      4.320134 
1 1 1 -20 18  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 18  6  o 34.198  2.3329  165.122   19.859    175.317   24.839    147.057   33.063    35.883  2.6020  32.512  3.8729  3.371517       4.665830 
1 1 1 -20 18  7  o 88.038  2.3643  1058.74   55.752    1055.28   78.676    1062.22   79.016    87.894  3.3419  88.181  3.3454  -0.2869644     4.728662 
1 1 1 -20 18  8  o 48.066  1.9941  314.978   25.557    309.007   35.916    321.102   36.375    47.600  2.8298  48.531  2.8103  -0.9318314     3.988169 
1 1 1 -20 18  9  o 63.145  2.0850  543.040   35.265    543.838   49.806    542.238   49.938    63.194  2.9425  63.096  2.9549  0.9744263E-01  4.170096 
1 1 1 -20 18  10 o 40.712  1.9655  226.554   21.293    234.385   30.107    218.717   30.119    41.434  2.7281  39.990  2.8302  1.443977       3.930964 
1 1 1 -20 18  11 o 10.801  2.5217  14.963    8.6370    10.240    11.981    20.072    12.462    9.6050  3.5373  11.997  3.5948  -2.392465      5.043378 
1 1 1 -20 18  12 o 18.294  2.4655  48.337    11.548    31.064    16.153    66.393    16.516    14.713  3.9957  21.876  2.8893  -7.163330      4.930947 
1 1 1 -20 18  13 o 40.125  2.0059  221.043   21.408    213.157   30.237    228.969   30.314    39.386  2.8863  40.863  2.7863  -1.476315      4.011766 
1 1 1 -20 18  14 o 38.260  2.0245  201.492   20.593    197.761   29.121    205.225   29.126    37.893  2.8910  38.626  2.8350  -0.7326851     4.049064 
1 1 1 -20 18  15 o 13.823  2.7227  27.450    10.584    21.866    14.913    33.117    15.023    12.524  3.9655  15.122  3.7318  -2.598276      5.445354 
1 1 1 -20 18  16 o 51.565  2.9170  367.237   40.123    0.0000    0.0000    367.237   40.123    ?       ?       51.565  2.9170  ?              ?        
1 1 1 -20 18  17 f 29.892  2.4182  126.086   18.588    125.679   23.977    126.699   29.428    29.995  3.0258  29.788  3.7729  0.2073154      4.836354 
1 1 1 -20 18  18 o 8.1866  2.3412  1.6977    8.6756    -8.7448   12.505    11.387    12.046    6.6176  3.0487  9.7555  3.5538  -3.137888      4.682323 
1 1 1 -20 18  19 o 48.421  2.0597  327.190   26.588    326.704   37.455    327.683   37.749    48.391  2.9032  48.450  2.9225  -0.5957794E-01 4.119397 
1 1 1 -20 18  20 o 6.4361  2.0573  -7.5525   7.9933    -17.0599  11.735    0.6772    10.918    5.5240  2.6623  7.3482  3.1372  -1.824169      4.114595 
1 1 1 -20 18  21 o 28.791  2.1959  118.087   16.663    116.685   23.635    119.474   23.497    28.603  3.1365  28.980  3.0741  -0.3769131     4.391738 
1 1 1 -20 18  22 o 25.026  2.3297  90.505    15.208    96.524    21.619    84.609    21.398    25.921  3.1804  24.131  3.4053  1.790369       4.659497 
1 1 1 -20 18  23 o 23.018  2.4962  77.691    14.860    70.608    20.670    85.269    21.379    21.840  3.6630  24.196  3.3920  -2.355639      4.992349 
1 1 1 -20 18  24 o 26.296  2.3790  100.687   16.349    95.771    23.156    105.572   23.085    25.584  3.4686  27.008  3.2568  -1.424067      4.757928 
1 1 1 -20 18  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 18  26 o 35.184  2.2481  180.106   20.920    189.959   29.492    170.128   29.679    36.254  3.0658  34.113  3.2889  2.141293       4.496243 
1 1 1 -20 18  27 o 20.831  2.7848  67.634    14.928    57.014    20.877    78.743    21.353    18.898  4.2299  22.764  3.6234  -3.865986      5.569630 
1 1 1 -20 19  1  o 21.443  2.0789  63.813    11.557    57.072    16.423    70.426    16.266    20.254  3.1282  22.632  2.7391  -2.378155      4.157876 
1 1 1 -20 19  2  o 51.563  1.9173  361.656   26.375    371.909   37.183    351.274   37.417    52.314  2.6624  50.811  2.7597  1.503281       3.834571 
1 1 1 -20 19  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 19  4  o 15.544  2.7093  33.192    10.962    28.555    13.835    41.011    17.967    14.165  3.6298  16.922  4.0231  -2.757174      5.418521 
1 1 1 -20 19  5  o 79.041  2.2257  852.441   47.115    849.936   66.151    855.020   67.122    78.932  3.1289  79.151  3.1661  -0.2184067     4.451321 
1 1 1 -20 19  6  o 18.060  2.3606  45.960    10.997    44.339    15.441    47.628    15.665    17.720  3.3766  18.400  3.2998  -0.6796513     4.721253 
1 1 1 -20 19  7  o 34.688  1.9589  164.613   18.046    161.143   25.300    168.206   25.748    34.312  2.7767  35.064  2.7639  -0.7518578     3.917835 
1 1 1 -20 19  8  o 38.102  1.9674  198.701   19.902    184.143   27.957    213.660   28.339    36.654  2.8706  39.551  2.6911  -2.896999      3.934775 
1 1 1 -20 19  9  o 78.165  2.2634  837.208   47.362    803.696   66.791    871.102   67.171    76.561  3.2570  79.770  3.1438  -3.209381      4.526777 
1 1 1 -20 19  10 o 26.726  2.1511  99.209    15.067    106.178   21.092    91.946    21.532    27.744  2.8802  25.709  3.1959  2.035425       4.302273 
1 1 1 -20 19  11 o 40.789  2.0147  228.808   21.808    209.330   30.798    248.397   30.885    38.994  2.9711  42.585  2.7220  -3.591141      4.029452 
1 1 1 -20 19  12 o 27.162  2.1284  102.410   15.223    101.500   21.605    103.308   21.454    27.032  3.0364  27.291  2.9835  -0.2590790     4.256896 
1 1 1 -20 19  13 o 14.863  2.6940  32.153    10.840    36.494    15.055    27.481    15.619    15.902  3.6164  13.825  3.9939  2.077066       5.387943 
1 1 1 -20 19  14 o 42.190  2.0532  246.191   23.035    258.707   32.574    233.672   32.578    43.303  2.8239  41.076  2.9814  2.226357       4.106452 
1 1 1 -20 19  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 19  16 o 17.027  2.7101  42.400    12.466    62.739    18.167    24.305    17.136    20.955  3.3497  13.100  4.2613  7.854423       5.420236 
1 1 1 -20 19  17 f 24.393  2.4187  85.431    15.170    100.788   21.688    70.719    21.228    26.722  3.0869  22.065  3.7245  4.657467       4.837444 
1 1 1 -20 19  18 o 39.666  2.0887  220.823   22.024    215.055   31.211    226.543   31.082    39.118  3.0017  40.213  2.9053  -1.095592      4.177407 
1 1 1 -20 19  19 o 30.099  2.2401  129.650   17.602    148.001   24.882    111.267   24.904    32.406  2.8972  27.793  3.4174  4.612354       4.480189 
1 1 1 -20 19  20 o 9.8238  2.5577  8.0498    9.8887    21.858    14.327    -4.5136   13.666    12.234  3.8883  7.4131  3.3241  4.821362       5.115465 
1 1 1 -20 19  21 o 26.449  2.4048  102.382   16.229    125.793   23.128    79.673    22.779    29.742  2.9418  23.155  3.8051  6.587650       4.809642 
1 1 1 -20 19  22 o 33.035  2.2173  156.871   19.258    138.613   27.168    175.309   27.302    30.947  3.3299  35.123  2.9288  -4.175524      4.434672 
1 1 1 -20 19  23 o 9.0673  2.4193  1.2940    9.9997    -19.7917  14.321    21.355    13.969    6.1063  2.9425  12.028  3.8411  -5.921961      4.838625 
1 1 1 -20 19  24 o 12.083  4.3492  20.673    17.966    20.673    17.966    0.0000    0.0000    12.083  4.3492  ?       ?       ?              ?        
1 1 1 -20 19  25 o 25.313  2.5808  96.942    16.630    76.357    23.341    118.166   23.700    22.194  4.0767  28.433  3.1657  -6.239330      5.161528 
1 1 1 -20 19  26 o 6.1982  2.0807  -18.8509  9.5239    -3.3577   14.161    -31.6469  12.869    7.5361  3.3811  4.8603  2.4258  2.675776       4.161332 
1 1 1 -20 20  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 20  2  o 11.009  2.4369  15.745    8.4351    7.8418    11.897    23.734    11.962    9.0886  3.4859  12.930  3.4063  -3.841199      4.873857 
1 1 1 -20 20  3  o 45.016  1.9202  276.441   23.043    270.612   32.425    282.388   32.752    44.530  2.7317  45.502  2.6993  -0.9718819     3.840423 
1 1 1 -20 20  4  o 22.785  2.1775  72.127    12.900    65.052    18.032    79.544    18.463    21.585  3.2173  23.985  2.9351  -2.400473      4.355009 
1 1 1 -20 20  5  o 83.475  2.3013  954.641   51.409    903.266   72.171    1007.56   73.247    81.157  3.3201  85.793  3.1875  -4.636154      4.602509 
1 1 1 -20 20  6  o 49.741  2.0079  338.454   26.623    323.055   37.473    354.148   37.831    48.575  2.8933  50.907  2.7850  -2.331688      4.015896 
1 1 1 -20 20  7  o 17.957  2.4191  45.737    11.210    45.141    15.738    46.351    15.971    17.837  3.4186  18.078  3.4236  -0.2414646     4.838151 
1 1 1 -20 20  8  o 62.639  2.1151  537.155   35.484    528.311   50.009    546.123   50.357    62.113  3.0059  63.165  2.9764  -1.051937      4.230208 
1 1 1 -20 20  9  o 26.966  2.1272  100.894   15.084    95.554    21.277    106.289   21.387    26.216  3.0894  27.717  2.9250  -1.501106      4.254392 
1 1 1 -20 20  10 o 53.631  2.1085  396.045   30.152    379.876   42.475    412.469   42.810    52.499  3.0336  54.763  2.9292  -2.264378      4.216928 
1 1 1 -20 20  11 o 11.942  2.3974  17.230    9.6645    -1.2182   13.530    36.445    13.809    7.9338  3.4407  15.950  3.3394  -8.016237      4.794811 
1 1 1 -20 20  12 o 21.217  2.3959  63.966    13.148    61.009    18.564    66.942    18.623    20.685  3.4738  21.749  3.3006  -1.063801      4.791796 
1 1 1 -20 20  13 o 18.756  3.7103  50.965    17.980    0.0000    0.0000    50.965    17.980    ?       ?       18.756  3.7103  ?              ?        
1 1 1 -20 20  14 o 18.008  3.8296  47.465    17.903    47.465    17.903    0.0000    0.0000    18.008  3.8296  ?       ?       ?              ?        
1 1 1 -20 20  15 o 16.642  2.7575  41.016    12.073    42.386    16.724    39.524    17.446    16.973  3.7761  16.310  4.0195  0.6627922      5.514997 
1 1 1 -20 20  16 o 37.027  2.1462  192.811   21.094    197.641   29.985    188.078   29.680    37.503  3.0103  36.552  3.0598  0.9518738      4.292363 
1 1 1 -20 20  17 o 16.948  2.7747  43.033    12.348    42.374    17.442    43.696    17.484    16.808  3.9425  17.087  3.9054  -0.2789421     5.549372 
1 1 1 -20 20  18 o 11.586  2.5558  15.957    10.428    34.300    14.870    -1.7904   14.627    15.140  3.6987  8.0315  3.5282  7.108067       5.111609 
1 1 1 -20 20  19 o 17.601  2.8622  47.403    13.244    52.675    18.396    41.731    19.082    18.753  3.7928  16.448  4.2875  2.304813       5.724323 
1 1 1 -20 20  20 o 12.973  2.9187  24.851    11.632    31.437    16.562    18.441    16.339    14.336  4.1043  11.610  4.1508  2.726130       5.837374 
1 1 1 -20 20  21 o 22.015  2.6420  72.541    14.934    62.340    21.046    82.887    21.196    20.247  4.0226  23.783  3.4262  -3.536150      5.283909 
1 1 1 -20 20  22 o 21.771  2.8297  74.492    15.583    44.596    22.055    104.295   22.020    16.682  4.7225  26.860  3.1188  -10.17804      5.659400 
1 1 1 -20 20  23 o 9.4265  3.9225  6.1924    16.378    6.1924    16.378    0.0000    0.0000    9.4265  3.9225  ?       ?       ?              ?        
1 1 1 -20 20  24 o 11.806  2.9733  20.124    11.913    16.224    16.492    24.379    17.227    11.006  4.1312  12.606  4.2772  -1.600208      5.946538 
1 1 1 -20 20  25 o 21.083  2.8533  70.574    15.513    65.582    22.016    75.497    21.863    20.181  4.2092  21.984  3.8534  -1.803160      5.706648 
1 1 1 -20 21  1  o 27.253  2.0141  102.339   14.482    100.213   20.472    104.469   20.490    26.958  2.8797  27.547  2.8166  -0.5891056     4.028127 
1 1 1 -20 21  2  o 19.307  2.3521  52.541    11.722    52.792    16.419    52.280    16.739    19.366  3.2825  19.247  3.3698  0.1196079      4.704294 
1 1 1 -20 21  3  o 30.065  2.0104  124.715   15.924    137.018   22.507    112.384   22.532    31.609  2.6837  28.521  2.9942  3.088917       4.020890 
1 1 1 -20 21  4  o 39.654  1.9952  215.904   21.024    227.485   29.665    204.218   29.799    40.757  2.7332  38.550  2.9073  2.206337       3.990378 
1 1 1 -20 21  5  o 58.782  2.0585  473.228   32.354    464.595   45.554    482.015   45.961    58.198  2.9317  59.366  2.8904  -1.168365      4.116969 
1 1 1 -20 21  6  o 38.113  2.0259  199.821   20.530    198.961   29.030    200.682   29.038    38.028  2.8712  38.197  2.8589  -0.1691132     4.051843 
1 1 1 -20 21  7  o 16.423  2.6025  38.847    11.158    38.383    15.485    39.348    16.093    16.330  3.6340  16.516  3.7265  -0.1861687     5.205048 
1 1 1 -20 21  8  o 19.997  2.4342  56.852    12.564    55.583    17.832    58.103    17.706    19.752  3.4986  20.241  3.3853  -0.4889774     4.868349 
1 1 1 -20 21  9  o 13.841  2.6294  27.161    10.709    41.465    15.193    13.034    15.098    16.994  3.4554  10.688  3.9643  6.306256       5.258790 
1 1 1 -20 21  10 o 17.393  2.6143  44.035    11.838    35.115    16.647    53.158    16.836    15.488  3.9887  19.298  3.3804  -3.810115      5.228512 
1 1 1 -20 21  11 o 28.006  2.2571  110.305   16.611    114.803   23.422    105.753   23.562    28.621  3.1050  27.389  3.2768  1.231995       4.514246 
1 1 1 -20 21  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 21  13 o 10.134  2.6228  9.5617    10.178    21.533    14.497    -2.0768   14.294    12.296  3.9116  7.9714  3.4951  4.325080       5.245618 
1 1 1 -20 21  14 o 22.896  2.5108  75.895    14.889    78.493    20.973    73.256    21.139    23.340  3.4595  22.453  3.6397  0.8879051      5.021559 
1 1 1 -20 21  15 o 11.027  2.8308  15.509    10.803    16.797    15.389    14.257    15.169    11.290  4.0293  10.763  3.9773  0.5275269      5.661594 
1 1 1 -20 21  16 o 13.971  2.5282  25.514    11.805    55.186    17.104    -1.4771   16.313    19.431  3.4107  8.5109  3.7327  10.92017       5.056302 
1 1 1 -20 21  17 o 20.826  2.6309  64.462    14.129    61.642    20.045    67.246    19.917    20.307  3.8256  21.345  3.6127  -1.037966      5.261782 
1 1 1 -20 21  18 o 11.361  2.8108  17.350    10.869    23.976    15.220    10.454    15.527    12.686  4.0051  10.035  3.9449  2.651136       5.621665 
1 1 1 -20 21  19 o 10.135  2.8173  10.394    11.363    15.059    15.903    5.5280    16.242    10.896  4.0632  9.3741  3.9039  1.521848       5.634699 
1 1 1 -20 21  20 o 30.447  2.4028  135.269   19.260    133.564   27.121    137.003   27.355    30.245  3.4072  30.649  3.3889  -0.4035606     4.805594 
1 1 1 -20 21  21 o 34.683  6.3875  211.529   57.152    0.0000    0.0000    211.529   57.152    ?       ?       34.683  6.3875  ?              ?        
1 1 1 -20 21  22 o 12.969  3.0145  25.001    12.895    36.991    18.084    12.598    18.393    15.250  4.2621  10.688  4.2643  4.561855       6.029080 
1 1 1 -20 21  23 o 14.642  2.9044  33.291    13.241    54.046    18.915    13.352    18.540    18.562  3.9271  10.722  4.2802  7.839998       5.808789 
1 1 1 -20 22  1  o 40.517  1.9460  225.195   20.985    233.196   29.812    217.338   29.544    41.246  2.7136  39.787  2.7900  1.459099       3.892006 
1 1 1 -20 22  2  o 52.806  2.0159  382.784   28.383    364.308   40.032    401.458   40.247    51.492  2.9145  54.119  2.7859  -2.627247      4.031851 
1 1 1 -20 22  3  o 52.615  2.0135  380.079   28.267    374.773   39.628    385.574   40.332    52.242  2.8427  52.987  2.8522  -0.7451057     4.026907 
1 1 1 -20 22  4  o 39.663  2.0249  216.691   21.334    201.962   29.890    231.989   30.461    38.253  2.9397  41.073  2.7853  -2.819885      4.049715 
1 1 1 -20 22  5  o 72.043  2.2005  715.294   42.440    683.712   59.486    748.033   60.566    70.396  3.1548  73.691  3.0685  -3.295197      4.401003 
1 1 1 -20 22  6  o 49.633  2.0687  339.935   27.374    330.746   38.417    349.414   39.016    48.940  2.9443  50.326  2.9068  -1.385563      4.137440 
1 1 1 -20 22  7  o 25.042  2.2890  88.168    14.872    75.610    20.615    101.797   21.476    23.081  3.4396  27.003  3.0212  -3.921967      4.578030 
1 1 1 -20 22  8  o 35.856  2.0899  179.128   19.837    189.763   27.719    167.965   28.399    37.016  2.8170  34.697  3.0881  2.318760       4.179897 
1 1 1 -20 22  9  o 15.240  2.6454  34.836    11.451    50.874    15.768    16.935    16.658    18.876  3.2351  11.605  4.1865  7.271053       5.290811 
1 1 1 -20 22  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 22  11 o 28.155  2.3372  112.661   17.288    110.700   24.342    114.657   24.556    27.896  3.3232  28.413  3.2873  -0.5171947     4.674420 
1 1 1 -20 22  12 o 32.561  2.2055  149.933   18.993    146.022   26.887    153.829   26.833    32.107  3.1677  33.015  3.0696  -0.9077072     4.411000 
1 1 1 -20 22  13 o 35.118  2.2303  175.579   20.649    192.648   29.095    158.257   29.310    36.969  2.9631  33.266  3.3343  3.702534       4.460675 
1 1 1 -20 22  14 o 10.038  2.7063  11.283    10.162    13.809    14.134    8.5802    14.619    10.485  3.8449  9.5905  3.8095  0.8944778      5.412533 
1 1 1 -20 22  15 o 14.073  2.8857  29.737    12.214    42.265    17.121    16.753    17.430    16.705  3.8977  11.442  4.2563  5.262467       5.771347 
1 1 1 -20 22  16 o 15.178  2.9452  35.098    12.782    23.327    17.766    47.728    18.403    12.660  4.3433  17.697  3.9790  -5.037251      5.890391 
1 1 1 -20 22  17 o 11.146  2.9166  16.154    11.526    15.753    15.799    16.610    16.853    11.003  4.0604  11.289  4.1881  -0.2857380     5.833228 
1 1 1 -20 22  18 o 12.643  2.8980  21.850    12.211    37.133    17.658    7.8438    16.904    15.459  4.1689  9.8272  4.0266  5.632253       5.796000 
1 1 1 -20 22  19 o 33.545  2.3534  164.044   20.859    158.771   29.251    169.500   29.753    32.967  3.3596  34.123  3.2964  -1.155540      4.706702 
1 1 1 -20 22  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 22  21 o 10.260  2.8107  10.922    11.486    1.9743    15.849    20.821    16.670    8.6544  3.7385  11.866  4.1980  -3.212064      5.621359 
1 1 1 -20 22  22 o 22.970  2.8493  83.177    16.859    75.140    23.364    91.907    24.351    21.664  4.1778  24.275  3.8754  -2.610638      5.698523 
1 1 1 -20 23  1  o 40.602  1.9858  227.223   21.453    218.604   30.201    235.999   30.478    39.804  2.8517  41.400  2.7644  -1.596516      3.971638 
1 1 1 -20 23  2  o 76.156  2.2401  801.836   45.689    786.468   64.246    817.560   64.987    75.408  3.1808  76.904  3.1549  -1.495865      4.480108 
1 1 1 -20 23  3  o 26.443  2.2373  98.479    15.353    113.561   21.772    83.560    21.654    28.590  2.8825  24.296  3.4224  4.294580       4.474519 
1 1 1 -20 23  4  o 43.973  2.0522  267.567   24.026    256.876   33.636    278.703   34.329    43.058  2.9340  44.889  2.8702  -1.831249      4.104482 
1 1 1 -20 23  5  o 36.726  2.1029  187.747   20.386    163.854   28.450    212.963   29.226    34.232  3.1378  39.220  2.8005  -4.988323      4.205771 
1 1 1 -20 23  6  o 43.715  2.0813  265.694   24.224    267.787   34.068    263.553   34.451    43.905  2.9135  43.524  2.9730  0.3818970      4.162598 
1 1 1 -20 23  7  o 19.108  2.6195  53.131    12.919    51.208    18.005    55.172    18.549    18.738  3.7185  19.478  3.6905  -0.7392845     5.238992 
1 1 1 -20 23  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 23  9  o 21.841  2.9232  71.852    15.952    75.315    20.260    66.203    25.876    22.883  3.4096  20.798  4.7493  2.085001       5.846484 
1 1 1 -20 23  10 o 50.889  2.1911  364.996   29.722    367.114   41.888    362.848   42.179    51.055  3.0775  50.723  3.1197  0.3325272      4.382147 
1 1 1 -20 23  11 o 10.703  2.7874  13.180    10.771    6.7264    14.701    20.657    15.825    9.3115  3.7780  12.095  4.0995  -2.783570      5.574859 
1 1 1 -20 23  12 o 33.805  2.2850  163.766   20.331    145.312   28.427    183.090   29.090    31.726  3.3982  35.884  3.0557  -4.158041      4.569989 
1 1 1 -20 23  13 f 33.191  2.3666  160.760   20.227    196.450   28.656    125.324   28.554    37.230  2.8965  29.152  3.7433  8.077463       4.733108 
1 1 1 -20 23  14 o 7.8739  2.4267  -2.2102   9.8311    5.0792    14.323    -8.7036   13.518    8.8909  3.6812  6.8568  3.1628  2.034091       4.853356 
1 1 1 -20 23  15 o 11.059  2.8114  14.593    11.304    25.995    16.273    3.9596    15.714    13.101  4.1418  9.0171  3.8029  4.083697       5.622865 
1 1 1 -20 23  16 o 8.9748  2.4214  0.5026    10.062    -20.7607  14.369    20.964    14.095    6.0381  2.9189  11.912  3.8642  -5.873485      4.842709 
1 1 1 -20 23  17 o 13.381  3.0207  26.502    12.699    37.847    18.449    16.286    17.507    15.511  4.2943  11.251  4.2493  4.259520       6.041316 
1 1 1 -20 23  18 o 27.021  3.7474  109.876   26.392    0.0000    0.0000    109.876   26.392    ?       ?       27.021  3.7474  ?              ?        
1 1 1 -20 23  19 o 23.650  3.2479  93.979    19.274    109.384   25.045    71.606    30.183    27.006  3.5483  20.295  5.4411  6.711029       6.495887 
1 1 1 -20 23  20 o 12.062  3.0842  21.718    12.899    17.709    18.371    25.615    18.115    11.361  4.3380  12.762  4.3852  -1.400125      6.168335 
1 1 1 -20 24  1  o 18.561  2.5919  50.177    12.413    57.544    17.543    42.790    17.568    20.054  3.3866  17.069  3.9246  2.985268       5.183752 
1 1 1 -20 24  2  o 29.682  2.1743  123.569   17.031    126.433   24.072    120.699   24.098    30.048  3.0325  29.317  3.1167  0.7311592      4.348552 
1 1 1 -20 24  3  o 10.960  2.7111  15.618    9.8482    17.526    13.713    13.586    14.153    11.351  3.8163  10.568  3.8517  0.7835693      5.422131 
1 1 1 -20 24  4  o 21.041  2.6261  65.927    13.977    83.095    19.436    47.543    20.113    24.256  3.0597  17.826  4.2689  6.429348       5.252119 
1 1 1 -20 24  5  o 36.436  2.1484  186.642   20.665    165.196   29.011    208.729   29.442    34.203  3.2041  38.670  2.8629  -4.467205      4.296820 
1 1 1 -20 24  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 24  7  o 27.728  2.8341  116.342   19.312    126.578   24.564    99.775    31.250    29.874  3.1158  25.582  4.7350  4.291763       5.668160 
1 1 1 -20 24  8  o 7.5825  2.3328  -6.1009   9.4150    -16.9552  12.608    7.5838    14.156    5.8206  2.7937  9.3445  3.7367  -3.523855      4.665591 
1 1 1 -20 24  9  o 21.702  2.6575  70.424    14.750    80.234    20.446    59.777    21.299    23.538  3.3364  19.866  4.1373  3.672365       5.314922 
1 1 1 -20 24  10 o 29.491  2.3319  125.596   17.946    107.993   25.019    144.254   25.757    27.198  3.5166  31.784  3.0634  -4.585991      4.663830 
1 1 1 -20 24  11 o 29.137  2.3736  123.366   18.172    124.976   25.376    121.672   26.035    29.384  3.2802  28.890  3.4316  0.4942150      4.747173 
1 1 1 -20 24  12 o 12.221  2.9440  21.240    11.876    28.579    16.720    13.767    16.872    13.662  4.1795  10.780  4.1473  2.881579       5.888016 
1 1 1 -20 24  13 o 29.887  2.4344  130.934   19.129    128.332   26.964    133.570   27.142    29.565  3.4710  30.209  3.4142  -0.6443806     4.868777 
1 1 1 -20 24  14 o 24.392  2.6649  89.334    16.813    96.259    23.908    82.559    23.647    25.448  3.6086  23.336  3.9224  2.112059       5.329851 
1 1 1 -20 24  15 o 15.097  3.1427  36.017    13.608    40.235    19.533    32.038    18.969    15.914  4.4232  14.280  4.4656  1.633624       6.285416 
1 1 1 -20 24  16 o 14.253  2.8223  30.054    12.961    7.6735    18.271    52.721    18.388    9.9719  4.1457  18.534  3.8307  -8.561864      5.644548 
1 1 1 -20 24  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 24  18 o 15.586  3.1113  39.356    14.369    23.451    20.036    56.200    20.619    12.465  4.5768  18.707  4.2160  -6.242264      6.222670 
1 1 1 -20 24  19 o 22.093  3.0446  79.524    17.367    76.643    24.361    82.501    24.767    21.630  4.3554  22.555  4.2555  -0.9248581     6.089258 
1 1 1 -20 25  1  o 12.704  2.7702  22.806    11.037    33.295    15.327    11.506    15.908    14.985  3.8101  10.423  4.0223  4.561128       5.540419 
1 1 1 -20 25  2  o 11.089  2.5190  12.762    10.368    31.858    14.611    -6.6095   14.716    14.663  3.7155  7.5154  3.4025  7.147919       5.038050 
1 1 1 -20 25  3  o 22.673  3.5510  74.639    20.857    0.0000    0.0000    74.639    20.857    ?       ?       22.673  3.5510  ?              ?        
1 1 1 -20 25  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 25  5  o 33.212  2.2343  157.055   19.592    144.588   27.367    170.162   28.060    31.788  3.2604  34.636  3.0560  -2.848890      4.468676 
1 1 1 -20 25  6  o 24.424  2.5500  87.578    16.130    93.633    22.656    81.355    22.969    25.399  3.4170  23.449  3.7860  1.949749       5.099966 
1 1 1 -20 25  7  o 18.411  2.8139  51.839    13.611    36.556    19.065    67.727    19.439    15.359  4.4053  21.462  3.5022  -6.103098      5.627809 
1 1 1 -20 25  8  o 16.954  2.9488  44.179    13.385    36.415    18.453    52.800    19.444    15.309  4.3148  18.599  4.0203  -3.289854      5.897532 
1 1 1 -20 25  9  o 8.0141  2.4436  0.8183    9.4821    1.4797    12.583    -0.0508   14.425    7.8819  3.3666  8.1462  3.5427  -0.2643571     4.887174 
1 1 1 -20 25  10 o 28.401  2.4592  119.078   18.173    131.873   25.542    105.961   25.861    30.150  3.2124  26.653  3.7244  3.496830       4.918361 
1 1 1 -20 25  11 o 13.462  3.0068  27.825    12.301    33.244    17.256    22.227    17.539    14.590  4.1930  12.333  4.3106  2.256436       6.013566 
1 1 1 -20 25  12 o 19.911  2.8903  61.143    14.890    55.569    20.518    67.345    21.644    18.878  4.1690  20.943  4.0043  -2.064833      5.780574 
1 1 1 -20 25  13 o 27.892  2.5638  116.213   18.646    123.369   26.215    108.886   26.526    28.898  3.4554  26.885  3.7885  2.012293       5.127634 
1 1 1 -20 25  14 o 36.928  2.4134  201.497   23.457    223.561   33.221    179.559   33.125    39.167  3.1944  34.689  3.6184  4.477982       4.826712 
1 1 1 -20 25  15 o 15.186  4.6529  37.810    20.712    0.0000    0.0000    37.810    20.712    ?       ?       15.186  4.6529  ?              ?        
1 1 1 -20 25  16 f 28.100  2.7185  121.917   19.751    106.592   27.820    137.494   28.047    26.024  4.1289  30.176  3.5372  -4.151789      5.436905 
1 1 1 -20 25  17 o 16.281  3.2735  44.983    14.968    41.111    20.679    49.244    21.692    15.546  4.6246  17.017  4.6342  -1.470066      6.546938 
1 1 1 -20 26  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 26  2  o 31.911  2.7065  151.657   21.533    157.102   27.122    142.373   35.417    33.193  3.0860  30.628  4.4472  2.564613       5.413039 
1 1 1 -20 26  3  o 26.108  2.4176  99.281    16.486    100.661   22.993    97.820    23.650    26.348  3.3325  25.868  3.5034  0.4799709      4.835259 
1 1 1 -20 26  4  o 22.879  2.6151  78.037    15.392    87.137    21.722    68.859    21.814    24.408  3.4162  21.351  3.9603  3.057446       5.230112 
1 1 1 -20 26  5  o 20.154  2.7976  61.994    14.540    71.420    20.576    52.592    20.550    21.906  3.6340  18.401  4.2545  3.505280       5.595267 
1 1 1 -20 26  6  o 10.476  2.6411  8.9590    11.262    28.550    15.826    -11.1351  16.028    13.635  4.0434  7.3170  3.3990  6.318157       5.282258 
1 1 1 -20 26  7  o 12.158  2.9807  21.284    11.965    26.173    17.131    16.627    16.719    13.100  4.2607  11.217  4.1694  1.882833       5.961310 
1 1 1 -20 26  8  o 13.507  3.0326  27.912    12.535    34.911    17.953    21.253    17.510    14.889  4.2763  12.126  4.3011  2.763208       6.065140 
1 1 1 -20 26  9  o 28.812  2.5007  123.552   18.809    131.019   26.181    115.585   27.041    29.880  3.3278  27.744  3.7336  2.135273       5.001404 
1 1 1 -20 26  10 o 20.874  2.9922  69.305    16.180    89.779    22.876    48.808    22.888    24.490  3.5944  17.258  4.7848  7.231541       5.984500 
1 1 1 -20 26  11 o 40.064  2.3268  234.731   24.666    212.403   34.405    258.343   35.380    37.961  3.4205  42.168  3.1553  -4.207325      4.653594 
1 1 1 -20 26  12 o 17.577  3.1531  49.973    15.009    41.227    21.035    59.045    21.423    15.864  4.6499  19.291  4.2599  -3.426522      6.306209 
1 1 1 -20 26  13 o 36.306  3.5301  197.428   33.894    0.0000    0.0000    197.428   33.894    ?       ?       36.306  3.5301  ?              ?        
1 1 1 -20 26  14 f 6.3791  3.0244  -13.6326  13.858    -13.6326  13.858    0.0000    0.0000    6.3791  3.0244  ?       ?       ?              ?        
1 1 1 -20 26  15 o 13.684  3.2388  30.388    14.528    19.181    20.262    42.245    20.842    11.640  4.5262  15.728  4.6338  -4.087733      6.477547 
1 1 1 -20 27  1  o 18.533  2.8150  52.648    13.564    48.040    18.924    57.517    19.451    17.618  4.0890  19.448  3.8701  -1.830053      5.630034 
1 1 1 -20 27  2  o 10.717  2.1720  4.4697    10.342    38.389    14.154    -34.3785  15.147    16.006  3.4060  5.4273  2.6962  10.57910       4.343965 
1 1 1 -20 27  3  o 27.517  2.5032  112.482   17.875    98.361    25.126    126.953   25.435    25.561  3.7844  29.473  3.2775  -3.912020      5.006357 
1 1 1 -20 27  4  o 16.603  3.0150  44.282    14.020    58.360    19.472    29.130    20.201    19.520  3.8611  13.685  4.6319  5.835139       6.030091 
1 1 1 -20 27  5  o 12.202  3.0137  21.985    12.224    25.225    16.632    18.180    18.026    12.831  4.1993  11.574  4.3239  1.257731       6.027436 
1 1 1 -20 27  6  o 10.625  2.8911  10.513    12.205    -0.5214   16.255    24.775    18.480    8.4675  3.7196  12.782  4.4271  -4.314795      5.782240 
1 1 1 -20 27  7  o 8.5091  2.5949  1.5442    10.636    -0.2559   13.966    4.0298    16.412    7.9333  3.4673  9.0848  3.8617  -1.151434      5.189870 
1 1 1 -20 27  8  o 15.671  3.1439  39.701    13.839    42.288    19.323    36.978    19.828    16.227  4.3549  15.116  4.5357  1.110842       6.287890 
1 1 1 -20 27  9  o 8.6571  2.6606  -0.2659   11.837    7.5232    16.340    -8.8661   17.170    9.5516  3.9415  7.7626  3.5748  1.788993       5.321120 
1 1 1 -20 27  10 o 18.658  3.2175  56.889    16.058    47.086    22.337    67.373    23.100    16.805  4.7511  20.512  4.3399  -3.706865      6.434906 
1 1 1 -20 27  11 o 22.049  3.0946  78.937    17.602    62.573    24.843    95.433    24.942    19.277  4.8233  24.822  3.8783  -5.545263      6.189173 
1 1 1 -20 27  12 f 18.680  4.5863  58.396    22.779    58.396    22.779    0.0000    0.0000    18.680  4.5863  ?       ?       ?              ?        
1 1 1 -20 27  13 o 22.480  3.0612  82.987    17.762    82.718    24.919    83.264    25.324    22.474  4.2961  22.487  4.3620  -0.1224518E-01 6.122400 
1 1 1 -20 28  1  o 24.514  2.7713  94.077    16.916    124.309   23.947    63.966    23.900    29.170  3.1131  19.859  4.5858  9.311226       5.542687 
1 1 1 -20 28  2  o 16.397  3.1171  43.401    14.022    39.117    19.550    47.939    20.124    15.532  4.4628  17.262  4.3531  -1.730613      6.234272 
1 1 1 -20 28  3  f 18.343  3.0733  55.151    15.330    72.685    21.405    36.688    21.965    21.758  3.8118  14.928  4.8218  6.830348       6.146529 
1 1 1 -20 28  4  o 8.6575  2.5369  -1.3399   11.178    15.894    15.155    -21.8990  16.553    10.787  3.9775  6.5278  3.1499  4.259557       5.073717 
1 1 1 -20 28  5  o 19.636  2.9689  61.300    15.146    65.572    21.223    56.868    21.620    20.485  4.0116  18.786  4.3778  1.698923       5.937836 
1 1 1 -20 28  6  f 15.710  3.2485  40.484    14.559    36.508    20.133    44.840    21.078    14.928  4.5897  16.492  4.5986  -1.564185      6.497100 
1 1 1 -20 28  7  o 20.471  3.0966  67.190    16.490    55.892    22.562    80.147    24.162    18.410  4.5911  22.532  4.1567  -4.121489      6.193253 
1 1 1 -20 28  8  f 12.101  3.0930  21.060    13.163    13.158    18.067    29.998    19.216    10.597  4.2268  13.606  4.5167  -3.009212      6.185972 
1 1 1 -20 28  9  o 33.198  3.6514  168.535   31.932    0.0000    0.0000    168.535   31.932    ?       ?       33.198  3.6514  ?              ?        
1 1 1 -20 28  10 o 8.2513  3.7209  -3.3111   17.399    -3.3111   17.399    0.0000    0.0000    8.2513  3.7209  ?       ?       ?              ?        
1 1 1 -20 28  11 o 15.081  3.4133  40.298    15.614    42.146    21.849    38.368    22.323    15.444  4.7867  14.717  4.8673  0.7261772      6.826647 
1 1 1 -20 29  1  o 11.328  2.9440  13.537    13.047    -2.9547   17.713    33.095    19.289    8.4393  3.7843  14.218  4.5109  -5.778332      5.888029 
1 1 1 -20 29  2  f 37.595  2.3713  210.586   23.606    218.488   33.300    202.604   33.468    38.401  3.2686  36.789  3.4362  1.612007       4.742514 
1 1 1 -20 29  3  o 16.972  3.2465  48.771    15.557    59.775    21.270    36.111    22.813    19.281  4.2344  14.664  4.9224  4.617320       6.493077 
1 1 1 -20 29  4  o 8.3739  2.5431  -4.4908   11.859    13.063    15.526    -29.0789  18.375    10.234  3.9668  6.5142  3.1834  3.719388       5.086258 
1 1 1 -20 29  5  o 7.9363  2.5056  -5.8529   11.595    6.1876    15.548    -20.9386  17.404    9.1010  3.8074  6.7716  3.2584  2.329412       5.011275 
1 1 1 -20 29  6  f 12.274  2.9770  17.884    13.612    -2.3450   18.268    43.136    20.410    8.5625  3.8410  15.985  4.5493  -7.422511      5.953920 
1 1 1 -20 29  7  o 12.405  4.7168  23.828    21.663    0.0000    0.0000    23.828    21.663    ?       ?       12.405  4.7168  ?              ?        
1 1 1 -20 29  8  o 14.676  4.6663  37.520    20.633    37.520    20.633    0.0000    0.0000    14.676  4.6663  ?       ?       ?              ?        
1 1 1 -20 29  9  o 12.400  3.0624  24.195    13.894    38.997    18.944    6.9629    20.440    14.989  4.4181  9.8112  4.2419  5.178164       6.124819 
1 1 1 -20 30  1  o 9.4447  2.8459  4.6869    12.738    -1.2774   17.156    12.015    19.016    8.4322  3.7567  10.457  4.2761  -2.025030      5.691872 
1 1 1 -20 30  2  o 16.844  3.1801  47.932    15.405    30.102    21.478    66.824    22.109    13.440  4.7639  20.247  4.2138  -6.807233      6.360103 
1 1 1 -20 30  3  o 11.222  3.1252  17.145    13.912    20.673    18.809    12.885    20.671    11.719  4.4093  10.726  4.4301  0.9937534      6.250399 
1 1 1 -20 30  4  o 9.0421  2.8135  2.1820    13.127    4.6266    17.035    -1.3920   20.598    9.0538  3.8934  9.0303  4.0625  0.2342892E-01  5.626979 
1 1 1 -20 30  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 30  6  o 11.509  3.1677  18.421    14.327    8.9338    19.155    30.466    21.584    9.8368  4.1764  13.181  4.7639  -3.344563      6.335370 
1 1 1 -20 31  1  o 7.6999  3.6269  -12.8069  19.337    0.0000    0.0000    -12.8069  19.337    ?       ?       7.6999  3.6269  ?              ?        
1 1 1 -20 31  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -20 31  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -27 14 o 19.940  3.3119  62.500    17.318    60.823    26.018    63.834    23.205    19.525  4.9640  20.354  4.3857  -0.8290615     6.623857 
1 1 1 -19 -27 15 o 27.802  3.0601  117.737   21.858    109.866   32.221    124.447   29.751    26.655  4.6839  28.948  3.9393  -2.293114      6.120247 
1 1 1 -19 -27 16 f 14.687  3.4750  29.871    16.441    48.625    25.831    17.100    21.316    17.390  5.1676  11.983  4.6472  5.407034       6.949906 
1 1 1 -19 -27 17 o 9.7547  2.9735  -5.8694   14.420    17.184    23.576    -19.6474  18.226    12.269  4.8489  7.2406  3.4431  5.028296       5.947045 
1 1 1 -19 -27 18 o 13.513  3.5307  23.574    16.822    36.033    26.647    15.319    21.690    15.270  5.3145  11.756  4.6495  3.514229       7.061304 
1 1 1 -19 -27 19 o 25.432  3.2441  99.481    21.170    120.427   31.077    81.346    28.916    28.209  4.2445  22.655  4.9073  5.553968       6.488275 
1 1 1 -19 -27 20 o 42.548  2.5317  264.177   28.561    255.688   40.630    272.471   40.158    41.784  3.6674  43.312  3.4912  -1.528000      5.063429 
1 1 1 -19 -26 6  o 20.052  3.0140  59.781    15.553    74.533    24.338    49.596    20.221    22.136  4.2594  17.967  4.2656  4.168262       6.028091 
1 1 1 -19 -26 7  o 17.298  3.2219  48.011    15.543    33.632    24.055    58.319    20.367    14.899  5.0543  19.696  3.9971  -4.797209      6.443783 
1 1 1 -19 -26 8  o 19.649  3.1803  58.316    16.189    66.407    25.324    52.723    21.053    20.713  4.6753  18.585  4.3125  2.127872       6.360565 
1 1 1 -19 -26 9  o 10.852  2.8322  13.787    11.821    -4.1915   20.509    22.730    14.465    9.2244  4.1087  12.479  3.8992  -3.254313      5.664340 
1 1 1 -19 -26 10 o 10.908  2.9601  13.577    12.003    6.6911    20.906    16.963    14.661    10.574  4.4185  11.241  3.9404  -0.6669245     5.920281 
1 1 1 -19 -26 11 o 29.908  2.5804  129.193   20.211    133.848   29.591    125.123   27.670    30.378  3.7140  29.437  3.5833  0.9413910      5.160771 
1 1 1 -19 -26 12 o 20.009  3.2162  63.033    17.235    40.858    25.142    82.694    23.674    16.283  5.1482  23.734  3.8563  -7.451571      6.432384 
1 1 1 -19 -26 13 o 9.9130  2.8937  6.6872    12.170    3.0554    20.507    8.6618    15.121    10.067  4.2988  9.7589  3.8749  0.3082952      5.787472 
1 1 1 -19 -26 14 o 11.506  3.2353  13.215    14.782    9.8275    23.683    15.376    18.919    11.482  4.7422  11.529  4.4021  -0.4716015E-01 6.470531 
1 1 1 -19 -26 15 o 36.088  2.5656  187.366   24.456    185.277   34.824    189.399   34.354    35.854  3.6782  36.322  3.5776  -0.4677963     5.131113 
1 1 1 -19 -26 16 o 29.679  2.7604  128.233   21.308    144.247   30.913    113.736   29.412    31.566  3.7282  27.792  4.0719  3.774494       5.520829 
1 1 1 -19 -26 17 o 43.004  2.4418  264.063   27.872    258.884   39.815    269.040   39.030    42.532  3.5267  43.477  3.3781  -0.9444313     4.883589 
1 1 1 -19 -26 18 o 20.089  3.2587  65.992    18.694    26.078    27.806    98.912    25.253    14.114  5.3493  26.063  3.7232  -11.94981      6.517434 
1 1 1 -19 -26 19 o 33.464  2.6823  163.184   23.511    151.204   33.678    174.572   32.836    32.106  4.0033  34.822  3.5710  -2.716789      5.364514 
1 1 1 -19 -26 20 o 16.462  3.4945  40.870    16.926    54.664    25.267    29.642    22.797    18.672  4.9658  14.251  4.9182  4.421108       6.989098 
1 1 1 -19 -26 21 o 11.520  3.0777  9.4724    15.822    -26.5274  25.703    31.435    20.076    8.5894  4.0858  14.451  4.6039  -5.861334      6.155464 
1 1 1 -19 -26 22 o 22.171  3.3492  80.342    20.008    40.426    29.045    116.389   27.602    16.141  5.5525  28.201  3.7469  -12.05992      6.698473 
1 1 1 -19 -26 23 o 13.982  3.5193  28.170    16.432    29.065    25.519    27.536    21.477    14.229  5.1741  13.735  4.7717  0.4937248      7.038526 
1 1 1 -19 -26 24 o 36.065  2.7304  193.863   25.263    152.823   36.052    233.455   35.410    31.810  4.3450  40.320  3.3079  -8.510361      5.460883 
1 1 1 -19 -26 25 o 25.080  3.3686  98.467    21.783    97.062    31.414    99.768    30.231    24.799  4.9031  25.362  4.6204  -0.5627956     6.737122 
1 1 1 -19 -26 26 o 30.028  3.0803  140.598   23.150    104.660   33.331    174.092   32.178    25.564  5.0469  34.491  3.5330  -8.926933      6.160594 
1 1 1 -19 -25 2  o 10.623  2.9289  12.388    11.701    9.3268    20.133    13.950    14.379    10.712  4.3923  10.535  3.8759  0.1771145      5.857886 
1 1 1 -19 -25 3  o 12.748  2.4105  21.471    11.970    -21.6635  19.575    47.234    15.128    7.4721  3.5575  18.023  3.2536  -10.55090      4.820964 
1 1 1 -19 -25 4  o 10.934  3.0620  10.043    13.159    19.795    21.259    3.9865    16.754    12.504  4.6909  9.3648  3.9370  3.139277       6.124097 
1 1 1 -19 -25 5  o 28.201  2.6603  117.516   19.132    99.469    28.318    132.670   25.950    25.859  4.2351  30.542  3.2206  -4.682663      5.320547 
1 1 1 -19 -25 6  o 14.076  3.1997  29.125    13.521    28.314    21.647    29.644    17.313    14.028  4.7945  14.123  4.2384  -0.9447384E-01 6.399340 
1 1 1 -19 -25 7  o 35.042  2.4058  174.902   22.250    171.531   32.263    177.960   30.727    34.642  3.5263  35.442  3.2738  -0.8002243     4.811686 
1 1 1 -19 -25 8  o 15.709  3.2275  37.460    14.257    34.328    22.958    39.426    18.189    15.194  4.9318  16.223  4.1646  -1.028881      6.454912 
1 1 1 -19 -25 9  o 54.563  2.2676  418.435   32.985    414.757   47.047    421.991   46.257    54.292  3.2502  54.834  3.1629  -0.5423813     4.535192 
1 1 1 -19 -25 10 o 27.902  2.6108  111.966   18.977    113.542   27.968    110.621   25.834    28.016  3.8272  27.788  3.5521  0.2279682      5.221563 
1 1 1 -19 -25 11 o 27.760  2.7287  112.371   19.519    103.272   28.855    120.047   26.503    26.513  4.2035  29.007  3.4806  -2.493853      5.457472 
1 1 1 -19 -25 12 o 9.7230  2.8895  3.3575    12.685    8.1616    19.368    -0.2512   16.786    10.574  4.3187  8.8719  3.8399  1.702348       5.778965 
1 1 1 -19 -25 13 f 19.496  3.2417  56.883    16.668    67.290    24.681    48.158    22.599    21.180  4.4900  17.813  4.6770  3.367546       6.483357 
1 1 1 -19 -25 14 o 16.913  3.0180  44.478    15.845    9.9151    23.959    71.350    21.126    11.628  4.7825  22.197  3.6823  -10.56841      6.035910 
1 1 1 -19 -25 15 o 22.060  3.1081  71.994    17.691    85.475    26.132    60.589    24.037    24.084  4.2039  20.035  4.5791  4.049137       6.216228 
1 1 1 -19 -25 16 o 24.740  3.0174  90.012    19.235    99.363    28.090    81.756    26.395    26.019  4.1715  23.460  4.3609  2.558805       6.034799 
1 1 1 -19 -25 17 o 37.676  2.5375  202.518   25.264    196.468   36.218    208.252   35.260    37.054  3.6986  38.299  3.4750  -1.244728      5.074983 
1 1 1 -19 -25 18 o 32.006  2.8802  149.906   22.972    204.254   33.495    101.641   31.565    38.008  3.3235  26.005  4.7049  12.00322       5.760386 
1 1 1 -19 -25 19 o 47.765  2.4089  322.726   30.540    351.944   43.772    295.011   42.632    49.966  3.2890  45.565  3.5205  4.401711       4.817805 
1 1 1 -19 -25 20 o 24.743  3.2076  90.647    20.372    109.093   30.547    75.870    27.340    27.134  4.3501  22.352  4.7150  4.781834       6.415164 
1 1 1 -19 -25 21 o 33.929  2.7816  168.511   24.414    142.332   34.994    193.337   34.078    31.045  4.3259  36.813  3.4981  -5.767971      5.563241 
1 1 1 -19 -25 22 f 19.283  3.5559  57.810    18.523    58.266    27.197    57.415    25.298    19.299  5.1612  19.268  4.8928  0.3042984E-01  7.111776 
1 1 1 -19 -25 23 o 25.390  3.2527  100.266   20.881    71.591    30.328    126.111   28.792    21.280  5.3317  29.499  3.7272  -8.218565      6.505325 
1 1 1 -19 -25 24 o 30.030  3.1281  141.108   22.760    88.710    33.104    188.077   31.342    23.686  5.3449  36.374  3.2513  -12.68768      6.256130 
1 1 1 -19 -25 25 o 41.920  2.4911  252.159   27.642    275.141   39.751    230.639   38.465    43.866  3.4100  39.974  3.6322  3.891922       4.982117 
1 1 1 -19 -25 26 o 11.399  3.1997  8.2372    15.505    27.114    23.181    -7.0447   20.858    13.799  4.9430  8.9979  4.0642  4.801406       6.399322 
1 1 1 -19 -25 27 o 12.410  3.4548  17.390    17.023    11.508    24.358    23.005    23.800    11.663  4.8125  13.157  4.9580  -1.493711      6.909581 
1 1 1 -19 -25 28 o 15.935  3.6098  39.426    18.893    18.314    27.535    58.211    25.972    12.849  5.1854  19.020  5.0235  -6.170852      7.219665 
1 1 1 -19 -25 29 o 51.732  2.4475  389.140   33.715    387.503   47.899    390.748   47.465    51.594  3.4865  51.870  3.4359  -0.2758369     4.894999 
1 1 1 -19 -24 1  o 25.971  2.6873  97.387    17.984    116.224   26.905    82.174    24.179    28.344  3.6271  23.598  3.9660  4.745655       5.374513 
1 1 1 -19 -24 2  f 13.485  2.9992  26.673    13.185    9.5072    20.771    38.257    17.063    10.969  4.4754  16.000  3.9940  -5.031443      5.998410 
1 1 1 -19 -24 3  o 11.949  3.0660  16.059    12.803    27.997    20.164    7.9938    16.573    13.924  4.6270  9.9747  4.0238  3.949123       6.131906 
1 1 1 -19 -24 4  o 33.210  2.3991  158.169   20.746    137.488   30.169    176.724   28.576    30.927  3.7163  35.494  3.0350  -4.566956      4.798156 
1 1 1 -19 -24 5  o 12.175  3.1792  16.710    13.498    26.266    21.932    10.884    17.125    13.779  4.8201  10.570  4.1469  3.209299       6.358445 
1 1 1 -19 -24 6  o 28.444  2.5594  116.905   18.781    100.640   27.148    131.834   26.010    26.320  3.9748  30.568  3.2255  -4.248096      5.118857 
1 1 1 -19 -24 7  o 30.820  2.5072  135.188   20.278    136.035   29.637    134.443   27.804    30.854  3.6574  30.785  3.4302  0.6869507E-01  5.014303 
1 1 1 -19 -24 8  o 49.570  3.1333  343.401   41.387    343.401   41.387    0.0000    0.0000    49.570  3.1333  ?       ?       ?              ?        
1 1 1 -19 -24 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -24 19 o 10.947  4.6407  4.6425    23.593    4.6425    23.593    0.0000    0.0000    10.947  4.6407  ?       ?       ?              ?        
1 1 1 -19 -24 20 o 21.839  3.3365  72.120    19.342    103.615   28.210    44.178    26.571    26.648  4.0823  17.030  5.2787  9.618238       6.673048 
1 1 1 -19 -24 21 o 28.657  2.7986  119.179   20.882    116.483   29.970    121.723   29.113    28.273  4.0752  29.040  3.8367  -0.7672691     5.597161 
1 1 1 -19 -24 22 o 50.584  2.3659  361.406   31.778    332.504   45.024    390.097   44.859    48.444  3.4933  52.724  3.1916  -4.279545      4.731751 
1 1 1 -19 -24 23 o 20.028  3.3488  62.591    18.186    40.957    26.395    82.143    25.093    16.437  5.2833  23.619  4.1162  -7.181084      6.697507 
1 1 1 -19 -24 24 o 33.902  2.5759  165.459   22.890    154.112   33.191    175.750   31.608    32.637  3.8724  35.167  3.3979  -2.530914      5.151863 
1 1 1 -19 -24 25 o 13.843  3.0232  21.688    15.757    -13.0495  22.917    52.834    21.700    9.0008  4.1394  18.685  4.4072  -9.684267      6.046359 
1 1 1 -19 -24 26 o 21.866  3.3600  73.636    19.190    60.038    27.073    87.366    27.204    19.583  5.1080  24.148  4.3666  -4.564964      6.720038 
1 1 1 -19 -24 27 o 34.919  2.5906  176.190   23.857    171.284   33.806    181.056   33.671    34.385  3.7305  35.453  3.5955  -1.068428      5.181150 
1 1 1 -19 -24 28 o 30.430  2.8026  135.907   22.260    142.470   32.698    130.238   30.390    31.082  4.0219  29.779  3.9042  1.302929       5.605191 
1 1 1 -19 -24 29 o 46.701  2.3801  312.174   29.551    327.171   42.719    298.413   40.921    47.786  3.3589  45.617  3.3731  2.169621       4.760249 
1 1 1 -19 -24 30 o 14.703  4.6400  -22.8681  14.398    -78.3334  20.293    33.350    20.430    ?       ?       14.703  4.6400  ?              ?        
1 1 1 -19 -24 31 o 11.605  3.3792  11.700    17.151    4.6837    24.451    18.495    24.065    10.792  4.6528  12.418  4.9017  -1.625427      6.758345 
1 1 1 -19 -24 32 o 29.356  2.9707  132.799   22.425    149.991   31.405    114.914   32.032    31.674  3.7762  27.039  4.5869  4.635414       5.941311 
1 1 1 -19 -23 1  o 44.079  2.2005  272.125   25.804    281.648   36.978    263.087   36.026    44.842  3.0977  43.315  3.1262  1.526394       4.400981 
1 1 1 -19 -23 2  o 16.521  4.7953  41.187    22.468    41.187    22.468    0.0000    0.0000    16.521  4.7953  ?       ?       ?              ?        
1 1 1 -19 -23 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -23 4  o 19.389  4.3401  55.980    21.977    0.0000    0.0000    55.980    21.977    ?       ?       19.389  4.3401  ?              ?        
1 1 1 -19 -23 5  o 28.410  3.1173  116.778   20.445    121.823   39.057    114.873   23.995    28.260  5.3559  28.560  3.1913  -0.3004303     6.234522 
1 1 1 -19 -23 6  o 14.150  3.1839  29.024    13.950    19.947    21.009    36.181    18.655    12.684  4.6819  15.617  4.3160  -2.932917      6.367780 
1 1 1 -19 -23 7  o 39.435  2.2398  217.252   23.354    244.352   33.707    192.230   32.388    41.884  3.0249  36.987  3.3041  4.897472       4.479589 
1 1 1 -19 -23 8  o 22.506  2.6333  72.064    15.229    83.030    23.057    63.579    20.282    24.046  3.6983  20.965  3.7495  3.081623       5.266515 
1 1 1 -19 -23 9  o 16.481  2.9938  40.182    13.193    40.354    20.197    40.054    17.425    16.464  4.4666  16.497  3.9876  -0.3373337E-01 5.987561 
1 1 1 -19 -23 10 o 12.667  3.0411  18.713    12.698    34.379    20.113    8.3307    16.374    15.278  4.5646  10.057  4.0197  5.220322       6.082253 
1 1 1 -19 -23 11 o 38.521  2.2485  207.421   22.977    216.559   32.637    198.439   32.355    39.398  3.1182  37.644  3.2405  1.754101       4.497090 
1 1 1 -19 -23 12 o 52.894  2.1882  389.131   30.863    386.589   43.805    391.638   43.491    52.707  3.1167  53.080  3.0722  -0.3724480     4.376324 
1 1 1 -19 -23 13 o 31.265  2.5210  139.727   20.328    112.708   28.745    166.756   28.750    27.993  3.9430  34.537  3.1423  -6.543566      5.041982 
1 1 1 -19 -23 14 o 6.3299  2.1547  -19.3611  10.251    -28.9181  18.022    -14.7904  12.463    6.6544  3.2295  6.0053  2.8532  0.6491022      4.309369 
1 1 1 -19 -23 15 o 29.885  2.5388  126.567   19.770    145.506   28.663    109.378   27.306    32.133  3.3810  27.638  3.7883  4.495483       5.077631 
1 1 1 -19 -23 16 o 29.192  2.6237  121.422   20.034    127.926   28.903    115.408   27.793    29.969  3.6779  28.416  3.7427  1.552885       5.247360 
1 1 1 -19 -23 17 o 14.157  3.1125  23.809    14.612    49.802    22.235    4.0507    19.386    18.240  4.5626  10.073  4.2348  8.167544       6.224993 
1 1 1 -19 -23 18 o 20.408  3.2509  62.845    17.407    52.473    25.096    72.463    24.166    18.603  4.9499  22.213  4.2158  -3.610636      6.501883 
1 1 1 -19 -23 19 f 24.872  3.0431  90.535    19.240    119.414   28.273    65.625    26.258    28.884  3.7423  20.859  4.7996  8.025549       6.086166 
1 1 1 -19 -23 20 o 34.990  2.4164  172.734   22.345    179.264   32.261    166.713   30.979    35.627  3.4229  34.353  3.4119  1.274323       4.832885 
1 1 1 -19 -23 21 o 55.310  2.2930  429.096   33.739    399.398   47.921    458.288   47.510    53.305  3.3738  57.316  3.1064  -4.010750      4.586075 
1 1 1 -19 -23 22 o 29.728  4.5124  130.410   34.801    0.0000    0.0000    130.410   34.801    ?       ?       29.728  4.5124  ?              ?        
1 1 1 -19 -23 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -23 24 o 33.216  3.6323  157.722   31.790    157.722   31.790    0.0000    0.0000    33.216  3.6323  ?       ?       ?              ?        
1 1 1 -19 -23 25 o 41.609  2.3962  246.016   26.273    215.362   37.241    276.389   37.070    38.846  3.6208  44.371  3.1394  -5.524368      4.792327 
1 1 1 -19 -23 26 o 31.928  2.6087  145.945   21.854    157.421   32.054    135.977   29.875    33.116  3.6758  30.740  3.7028  2.375849       5.217494 
1 1 1 -19 -23 27 o 41.695  2.3615  246.235   26.142    255.129   37.272    237.624   36.676    42.465  3.3029  40.926  3.3759  1.538948       4.722965 
1 1 1 -19 -23 28 o 57.969  2.3128  475.086   35.697    509.391   50.737    441.459   50.233    60.147  3.1604  55.790  3.3775  4.357380       4.625521 
1 1 1 -19 -23 29 o 26.047  2.9751  100.870   20.034    106.285   28.658    95.694    28.018    26.790  4.1262  25.303  4.2872  1.487259       5.950211 
1 1 1 -19 -23 30 o 17.674  3.6649  49.472    18.475    50.420    26.301    48.548    25.958    17.830  5.1918  17.517  5.1742  0.3133965      7.329861 
1 1 1 -19 -23 31 o 11.167  3.0677  2.7510    15.830    -27.2015  22.545    31.880    22.233    7.8112  3.7456  14.524  4.8594  -6.712561      6.135475 
1 1 1 -19 -23 32 o 20.973  3.4078  69.525    18.979    88.895    27.514    51.943    26.214    24.045  4.4355  17.902  5.1747  6.143637       6.815515 
1 1 1 -19 -23 33 o 20.113  3.5614  66.363    20.075    41.151    28.176    92.359    28.611    15.925  5.4693  24.301  4.5631  -8.376176      7.122883 
1 1 1 -19 -22 1  o 11.563  2.9245  17.111    11.429    15.408    17.562    18.362    15.053    11.441  4.2692  11.684  3.9981  -0.2426853     5.848994 
1 1 1 -19 -22 2  o 10.438  2.7917  11.492    11.214    -1.5321   19.042    18.406    13.875    9.2939  4.0556  11.582  3.8376  -2.287683      5.583489 
1 1 1 -19 -22 3  o 24.767  2.5701  87.045    16.376    105.064   24.297    72.046    22.168    27.229  3.4060  22.305  3.8497  4.924395       5.140169 
1 1 1 -19 -22 4  o 19.331  2.9249  56.769    14.670    42.003    22.033    68.529    19.662    16.760  4.7117  21.903  3.4669  -5.143606      5.849743 
1 1 1 -19 -22 5  o 26.649  2.5287  100.502   17.499    114.829   25.688    88.098    23.902    28.497  3.4347  24.801  3.7122  3.695475       5.057409 
1 1 1 -19 -22 6  o 21.115  2.7546  64.020    14.935    70.892    22.515    58.620    19.959    22.122  3.9445  20.108  3.8460  2.014225       5.509123 
1 1 1 -19 -22 7  o 36.522  2.2285  185.871   21.576    190.531   31.118    181.558   29.941    36.954  3.1747  36.089  3.1284  0.8655815      4.457053 
1 1 1 -19 -22 8  o 31.439  2.3360  138.412   19.362    145.271   27.970    132.102   26.828    32.199  3.2894  30.679  3.3177  1.519768       4.671952 
1 1 1 -19 -22 9  o 30.884  2.3506  133.854   19.089    132.785   27.897    134.796   26.178    30.714  3.4508  31.054  3.1926  -0.3408871     4.701141 
1 1 1 -19 -22 10 o 16.062  3.1036  36.785    13.700    47.020    21.240    29.494    17.927    17.829  4.4593  14.296  4.3180  3.532766       6.207278 
1 1 1 -19 -22 11 o 35.141  2.2789  172.243   21.209    171.712   30.172    172.762   29.819    35.076  3.2483  35.206  3.1971  -0.1297989     4.557709 
1 1 1 -19 -22 12 o 17.198  2.9923  45.384    14.458    23.660    21.794    62.456    19.321    13.488  4.7970  20.909  3.5785  -7.421307      5.984671 
1 1 1 -19 -22 13 o 34.063  2.3366  162.553   20.941    179.715   29.657    145.487   29.574    35.955  3.1101  32.170  3.4880  3.785164       4.673233 
1 1 1 -19 -22 14 o 39.485  2.2305  217.513   23.229    244.834   32.862    190.229   32.839    42.083  2.9337  36.887  3.3606  5.196110       4.460960 
1 1 1 -19 -22 15 o 54.751  2.1844  415.262   31.886    428.047   44.920    402.277   45.270    55.640  3.0255  53.863  3.1516  1.777313       4.368770 
1 1 1 -19 -22 16 f 19.527  3.0456  56.040    15.462    55.626    22.823    56.391    21.020    19.400  4.4823  19.654  4.1246  -0.2531776     6.091230 
1 1 1 -19 -22 17 o 17.686  3.2196  46.296    15.663    59.309    22.351    33.739    21.956    20.104  4.2819  15.268  4.8093  4.835578       6.439254 
1 1 1 -19 -22 18 o 33.236  2.4309  155.195   21.312    157.546   30.823    153.042   29.500    33.455  3.4911  33.017  3.3836  0.4379196      4.861775 
1 1 1 -19 -22 19 o 11.427  3.1545  10.988    14.185    21.127    21.374    3.0075    18.963    12.983  4.7332  9.8717  4.1713  3.111541       6.308933 
1 1 1 -19 -22 20 o 22.639  3.1049  74.686    18.098    89.191    26.856    62.619    24.496    24.759  4.1998  20.518  4.5740  4.240826       6.209706 
1 1 1 -19 -22 21 o 37.528  2.3335  198.170   23.106    181.434   33.079    214.115   32.288    35.868  3.4873  39.188  3.1014  -3.320736      4.666956 
1 1 1 -19 -22 22 o 15.564  3.1785  34.202    14.981    53.452    21.789    16.944    20.631    18.961  4.3787  12.166  4.6085  6.794876       6.357028 
1 1 1 -19 -22 23 o 20.406  3.1945  61.985    16.979    66.508    24.862    58.032    23.244    21.110  4.5325  19.702  4.5029  1.407478       6.388995 
1 1 1 -19 -22 24 o 24.811  2.9992  91.529    18.942    72.037    27.035    110.324   26.548    21.862  4.7525  27.759  3.6597  -5.897364      5.998331 
1 1 1 -19 -22 25 o 50.190  3.1787  352.832   42.512    0.0000    0.0000    352.832   42.512    ?       ?       50.190  3.1787  ?              ?        
1 1 1 -19 -22 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -22 27 o 31.691  3.6915  144.222   30.748    144.222   30.748    0.0000    0.0000    31.691  3.6915  ?       ?       ?              ?        
1 1 1 -19 -22 28 o 39.226  2.3771  218.256   24.708    227.583   34.839    208.819   35.045    40.133  3.2694  38.320  3.4515  1.813259       4.754117 
1 1 1 -19 -22 29 o 25.677  2.9678  98.010    19.541    112.397   27.555    83.456    27.715    27.832  3.7953  23.522  4.5636  4.310364       5.935589 
1 1 1 -19 -22 30 o 15.536  3.5358  36.210    16.690    40.996    24.748    32.217    22.604    16.327  5.0999  14.745  4.8989  1.581502       7.071671 
1 1 1 -19 -22 31 o 17.362  3.6903  47.430    18.551    47.868    26.249    46.993    26.220    17.437  5.2156  17.287  5.2222  0.1501236      7.380616 
1 1 1 -19 -22 32 o 13.155  3.5307  22.289    17.125    23.093    24.930    21.571    23.564    13.334  5.0624  12.976  4.9229  0.3582287      7.061315 
1 1 1 -19 -22 33 o 31.295  2.7687  144.884   22.681    146.536   32.831    143.376   31.369    31.410  3.9926  31.180  3.8370  0.2301769      5.537448 
1 1 1 -19 -22 34 o 12.364  3.2798  16.453    16.082    34.895    22.740    -2.0001   22.747    14.928  4.9114  9.8006  4.3482  5.127416       6.559599 
1 1 1 -19 -22 35 o 18.033  3.4356  53.105    18.511    79.348    26.133    26.676    26.225    22.434  4.5054  13.631  5.1880  8.803510       6.871274 
1 1 1 -19 -21 1  o 15.273  3.0045  34.830    12.807    29.059    19.731    39.032    16.836    14.233  4.5672  16.314  3.9050  -2.080790      6.009003 
1 1 1 -19 -21 2  o 22.318  2.8327  75.056    15.895    54.089    23.661    92.301    21.458    19.020  4.6771  25.617  3.1970  -6.596985      5.665355 
1 1 1 -19 -21 3  o 10.199  2.7767  10.568    10.666    5.1216    17.694    13.676    13.367    9.8814  4.0915  10.516  3.7549  -0.6347380     5.553380 
1 1 1 -19 -21 4  o 20.183  2.8092  62.539    14.499    36.914    21.465    84.044    19.664    15.861  4.7101  24.505  3.0628  -8.643567      5.618354 
1 1 1 -19 -21 5  o 28.028  2.3880  109.680   17.464    125.835   25.742    95.903    23.772    29.997  3.2562  26.059  3.4938  3.938166       4.775952 
1 1 1 -19 -21 6  o 43.182  2.1099  257.748   24.238    249.825   34.471    265.497   34.087    42.493  3.0488  43.871  2.9175  -1.377113      4.219886 
1 1 1 -19 -21 7  o 39.621  2.1412  218.022   22.288    256.177   31.775    181.063   31.273    43.171  2.7624  36.071  3.2724  7.100517       4.282465 
1 1 1 -19 -21 8  o 14.611  3.0156  31.027    13.269    16.728    20.006    42.257    17.730    12.156  4.5525  17.065  3.9560  -4.908553      6.031191 
1 1 1 -19 -21 9  o 15.772  2.8586  34.862    12.066    45.030    18.944    27.921    15.652    17.598  4.0957  13.945  3.9891  3.652935       5.717297 
1 1 1 -19 -21 10 o 45.442  2.1122  284.754   25.469    314.796   36.299    255.622   35.745    47.874  2.8436  43.010  3.1241  4.863201       4.224482 
1 1 1 -19 -21 11 o 19.440  2.8473  54.561    14.340    59.376    20.503    49.951    20.064    20.332  3.9068  18.548  4.1430  1.783802       5.694566 
1 1 1 -19 -21 12 o 9.2841  2.6018  5.4597    9.4766    12.554    15.516    1.2386    11.968    10.711  4.0096  7.8574  3.3166  2.853522       5.203586 
1 1 1 -19 -21 13 o 39.745  2.1422  218.053   22.618    225.245   31.868    210.754   32.106    40.435  2.9631  39.056  3.0944  1.378376       4.284307 
1 1 1 -19 -21 14 o 33.813  2.2289  159.372   19.740    183.256   27.896    135.420   27.936    36.479  2.8784  31.148  3.4039  5.331656       4.457807 
1 1 1 -19 -21 15 o 11.144  2.8106  10.734    11.641    27.583    17.440    -2.8054   15.634    13.945  4.2690  8.3435  3.6569  5.601688       5.621102 
1 1 1 -19 -21 16 o 25.396  2.6403  92.331    17.175    77.565    24.689    106.178   23.908    23.227  4.1193  27.566  3.3039  -4.338949      5.280548 
1 1 1 -19 -21 17 o 39.244  2.2115  213.163   23.048    212.643   32.911    213.662   32.287    39.182  3.1629  39.305  3.0918  -0.1228333     4.422999 
1 1 1 -19 -21 18 o 27.886  2.5457  110.254   18.412    98.631    26.521    121.067   25.581    26.330  3.8765  29.441  3.3008  -3.111242      5.091374 
1 1 1 -19 -21 19 o 27.624  2.5613  108.062   18.373    95.803    25.974    120.339   25.993    25.936  3.8562  29.313  3.3721  -3.376547      5.122663 
1 1 1 -19 -21 20 o 39.866  2.2054  221.076   23.265    201.937   33.159    239.633   32.651    38.079  3.2832  41.653  2.9455  -3.574425      4.410858 
1 1 1 -19 -21 21 o 57.348  2.1734  455.148   33.240    470.111   46.820    439.940   47.201    58.341  3.0064  56.355  3.1394  1.985336       4.346785 
1 1 1 -19 -21 22 o 8.0468  2.5879  -8.9639   12.159    -14.1804  18.968    -5.3254   15.842    8.0312  3.7192  8.0624  3.5996  -0.3117657E-01 5.175871 
1 1 1 -19 -21 23 o 8.0004  2.5703  -12.3734  12.463    -24.4700  17.561    -0.0950   17.692    6.8262  3.2818  9.1746  3.9566  -2.348419      5.140502 
1 1 1 -19 -21 24 o 50.435  2.1798  353.508   29.299    362.109   41.973    345.335   40.916    51.034  3.0851  49.836  3.0803  1.197105       4.359629 
1 1 1 -19 -21 25 o 64.297  2.2331  575.437   38.379    595.555   54.554    555.723   54.003    65.481  3.1105  63.113  3.2050  2.367939       4.466235 
1 1 1 -19 -21 26 o 29.178  2.6373  123.388   19.695    99.147    28.093    146.821   27.620    26.060  4.1649  32.297  3.2363  -6.237494      5.274504 
1 1 1 -19 -21 27 o 22.083  3.0589  72.376    17.443    75.887    24.695    68.880    24.641    22.679  4.2207  21.487  4.4286  1.191294       6.117742 
1 1 1 -19 -21 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -21 29 o 26.790  3.9431  104.579   27.447    104.579   27.447    0.0000    0.0000    26.790  3.9431  ?       ?       ?              ?        
1 1 1 -19 -21 30 o 13.187  3.3424  21.079    15.826    36.026    22.836    7.2660    21.953    15.475  4.9079  10.899  4.5386  4.576503       6.684833 
1 1 1 -19 -21 31 o 40.564  2.3812  233.516   25.607    249.300   36.928    218.897   35.538    41.926  3.3155  39.203  3.4187  2.722519       4.762308 
1 1 1 -19 -21 32 o 19.262  3.2752  57.957    18.641    21.077    26.536    93.888    26.193    13.305  5.1781  25.220  4.0119  -11.91468      6.550432 
1 1 1 -19 -21 33 o 20.816  3.1474  67.323    18.658    116.465   26.993    22.363    25.819    28.292  3.6469  13.340  5.1309  14.95209       6.294899 
1 1 1 -19 -21 34 o 10.733  3.1090  2.0853    15.985    23.900    22.234    -21.2553  22.998    13.162  4.8231  8.3034  3.9246  4.858694       6.218062 
1 1 1 -19 -21 35 o 28.435  2.9754  122.504   21.959    126.850   30.962    118.106   31.148    29.033  4.0953  27.837  4.3173  1.195839       5.950738 
1 1 1 -19 -21 36 o 30.082  2.9088  137.649   22.819    134.439   31.963    140.986   32.589    29.708  4.1284  30.456  4.0990  -0.7476864     5.817692 
1 1 1 -19 -20 1  o 28.120  2.2755  110.434   16.687    128.483   24.218    94.120    23.024    30.401  3.0138  25.839  3.4101  4.562805       4.551051 
1 1 1 -19 -20 2  o 20.197  2.7710  58.248    14.402    67.488    21.534    50.770    19.372    21.687  3.8480  18.706  3.9882  2.981327       5.541922 
1 1 1 -19 -20 3  o 25.205  2.3882  89.031    15.697    93.730    22.917    84.878    21.544    25.834  3.3940  24.576  3.3609  1.257977       4.776479 
1 1 1 -19 -20 4  o 15.075  2.9131  32.966    12.104    30.989    17.714    34.697    16.578    14.674  4.2574  15.476  3.9775  -0.8021326     5.826282 
1 1 1 -19 -20 5  o 30.119  2.2326  125.901   17.732    126.012   25.518    125.798   24.658    30.113  3.2134  30.125  3.1002  -0.1137543E-01 4.465108 
1 1 1 -19 -20 6  o 11.663  2.6632  18.085    10.507    2.2444    17.010    27.858    13.361    9.3876  3.9578  13.939  3.5647  -4.550978      5.326478 
1 1 1 -19 -20 7  o 35.667  2.1422  175.305   20.256    184.062   28.904    166.853   28.395    36.565  2.9771  34.769  3.0810  1.796261       4.284351 
1 1 1 -19 -20 8  o 45.930  2.0811  289.476   25.461    281.968   35.966    297.019   36.048    45.317  2.9797  46.543  2.9061  -1.226048      4.162229 
1 1 1 -19 -20 9  f 23.704  2.4638  78.890    15.154    78.404    21.975    79.331    20.926    23.601  3.5893  23.807  3.3761  -0.2066402     4.927613 
1 1 1 -19 -20 10 o 45.366  2.0856  282.354   25.191    291.537   35.526    273.068   35.725    46.132  2.8897  44.599  3.0081  1.532543       4.171261 
1 1 1 -19 -20 11 o 18.431  2.8789  48.444    13.842    57.731    20.489    40.647    18.774    20.091  3.9482  16.771  4.1910  3.320181       5.757848 
1 1 1 -19 -20 12 o 35.273  2.1946  172.675   20.149    136.916   28.234    209.787   28.763    31.394  3.4126  39.151  2.7605  -7.756844      4.389300 
1 1 1 -19 -20 13 o 48.755  2.0936  325.612   27.182    305.889   38.017    346.239   38.879    47.217  3.0219  50.293  2.8984  -3.075748      4.187218 
1 1 1 -19 -20 14 o 17.618  2.8524  44.842    13.860    68.866    19.912    22.268    19.302    22.131  3.4735  13.105  4.5254  9.025895       5.704783 
1 1 1 -19 -20 15 o 43.027  2.1339  254.309   24.434    257.439   34.434    251.133   34.677    43.306  2.9869  42.749  3.0485  0.5575523      4.267897 
1 1 1 -19 -20 16 f 44.768  2.1266  275.186   25.351    271.078   35.657    279.385   36.049    44.426  3.0143  45.110  3.0006  -0.6837044     4.253229 
1 1 1 -19 -20 17 o 32.693  2.3031  149.066   19.654    125.524   27.847    172.432   27.742    29.984  3.5353  35.401  2.9527  -5.417467      4.606134 
1 1 1 -19 -20 18 o 9.9625  2.8845  3.3779    12.424    13.348    19.074    -3.9695   16.374    11.503  4.4134  8.4223  3.7152  3.080445       5.768969 
1 1 1 -19 -20 19 o 21.097  2.9353  63.828    15.969    79.050    23.351    50.455    21.887    23.595  3.8259  18.599  4.4526  4.996586       5.870532 
1 1 1 -19 -20 20 o 25.260  2.5216  89.884    16.577    91.974    23.276    87.734    23.614    25.590  3.4867  24.931  3.6438  0.6585541      5.043207 
1 1 1 -19 -20 21 o 61.607  2.1623  521.914   35.614    534.911   50.493    509.046   50.239    62.426  3.0198  60.788  3.0958  1.637592       4.324696 
1 1 1 -19 -20 22 o 59.521  2.1559  488.162   34.252    495.228   48.858    481.334   48.031    59.943  3.0532  59.099  3.0446  0.8441505      4.311805 
1 1 1 -19 -20 23 o 19.010  2.9827  54.023    15.185    31.928    21.661    75.376    21.294    14.972  4.7834  23.048  3.5643  -8.075573      5.965349 
1 1 1 -19 -20 24 o 12.340  2.9713  13.839    13.670    37.635    20.058    -6.8007   18.680    16.007  4.4940  8.6741  3.8881  7.332355       5.942552 
1 1 1 -19 -20 25 o 33.369  2.3588  156.287   20.732    143.028   29.230    169.710   29.410    31.865  3.4814  34.873  3.1837  -3.007410      4.717612 
1 1 1 -19 -20 26 o 13.912  3.3214  26.227    14.896    34.349    21.670    18.952    20.510    15.326  4.7699  12.498  4.6234  2.827883       6.642858 
1 1 1 -19 -20 27 o 31.401  2.4916  139.726   20.580    141.628   29.728    137.975   28.518    31.582  3.5774  31.220  3.4691  0.3621635      4.983208 
1 1 1 -19 -20 28 o 11.765  3.1566  11.788    14.542    28.212    21.627    -1.7661   19.647    14.132  4.7924  9.3978  4.1097  4.734590       6.313231 
1 1 1 -19 -20 29 o 19.879  3.3438  60.282    17.611    52.582    25.306    67.512    24.523    18.517  4.9897  21.240  4.4527  -2.723032      6.687576 
1 1 1 -19 -20 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -20 31 o 15.065  4.0552  7.3221    20.034    -8.5665   22.326    72.998    45.390    9.2649  4.1930  20.866  6.9425  -11.60104      8.110491 
1 1 1 -19 -20 32 o 19.869  3.1537  60.899    17.370    28.868    24.332    94.182    24.804    14.293  5.0702  25.446  3.7519  -11.15246      6.307380 
1 1 1 -19 -20 33 o 21.279  3.3465  69.623    18.582    70.634    26.161    68.592    26.398    21.466  4.6820  21.092  4.7828  0.3741627      6.692999 
1 1 1 -19 -20 34 o 18.353  3.5711  53.207    18.108    54.466    25.061    51.831    26.192    18.620  4.9426  18.086  5.1557  0.5337429      7.142158 
1 1 1 -19 -20 35 o 12.637  3.2252  13.735    16.654    -14.6720  23.559    42.109    23.545    8.9181  4.1352  16.355  4.9505  -7.437344      6.450342 
1 1 1 -19 -20 36 o 13.685  3.5629  26.497    17.290    21.312    24.164    31.935    24.750    12.861  4.9590  14.509  5.1171  -1.648111      7.125710 
1 1 1 -19 -20 37 o 10.227  3.2020  -0.7918   17.290    -4.5304   23.343    3.7531    25.737    9.6141  4.3250  10.840  4.7230  -1.226035      6.404094 
1 1 1 -19 -19 1  o 15.427  2.8560  34.612    12.379    22.222    17.768    46.297    17.256    12.889  4.3441  17.965  3.7090  -5.076241      5.712031 
1 1 1 -19 -19 2  o 22.340  2.5442  69.869    14.613    82.686    21.774    59.364    19.712    24.271  3.4460  20.409  3.7439  3.862192       5.088367 
1 1 1 -19 -19 3  o 19.559  2.6392  54.784    13.286    50.434    19.285    58.714    18.329    18.732  3.9672  20.386  3.4819  -1.653873      5.278454 
1 1 1 -19 -19 4  f 5.6614  1.9035  -9.0731   6.2092    -10.2153  13.440    -8.7631   7.0012    6.8292  3.1513  4.4936  2.1360  2.335638       3.807020 
1 1 1 -19 -19 5  o 25.740  2.3514  92.082    15.773    102.406   22.806    82.616    21.838    27.179  3.1936  24.302  3.4520  2.877144       4.702701 
1 1 1 -19 -19 6  o 53.895  2.0799  397.275   29.900    387.005   42.371    407.461   42.199    53.182  2.9866  54.608  2.8954  -1.426163      4.159711 
1 1 1 -19 -19 7  f 96.320  2.4424  1272.57   63.009    1281.38   89.571    1263.95   88.652    96.646  3.4601  95.995  3.4479  0.6511917      4.884708 
1 1 1 -19 -19 8  o 27.599  2.2549  105.637   16.086    128.298   23.199    84.655    22.324    30.576  2.8661  24.622  3.4820  5.953249       4.509879 
1 1 1 -19 -19 9  o 41.241  2.0625  232.748   22.623    239.139   31.826    226.222   32.164    41.833  2.8575  40.648  2.9748  1.184910       4.124913 
1 1 1 -19 -19 10 o 30.902  2.1850  131.802   17.785    139.019   24.741    124.086   25.582    31.829  2.9352  29.976  3.2376  1.852816       4.370070 
1 1 1 -19 -19 11 o 17.610  2.8272  44.227    13.094    53.603    18.974    35.702    18.093    19.434  3.7812  15.786  4.2041  3.647305       5.654341 
1 1 1 -19 -19 12 o 20.399  2.6475  58.854    13.931    60.239    19.877    57.518    19.531    20.644  3.7321  20.155  3.7560  0.4888077      5.294934 
1 1 1 -19 -19 13 o 11.243  2.8654  14.772    11.157    10.448    16.504    18.410    15.140    10.592  4.0943  11.895  4.0099  -1.303755      5.730863 
1 1 1 -19 -19 14 o 45.776  2.0325  286.226   24.783    290.390   34.712    281.896   35.396    46.133  2.8227  45.420  2.9251  0.7131042      4.064994 
1 1 1 -19 -19 15 o 42.469  2.0826  246.724   23.537    247.098   32.922    246.332   33.663    42.513  2.9087  42.425  2.9813  0.8799362E-01  4.165205 
1 1 1 -19 -19 16 o 42.851  2.0607  251.254   23.497    256.736   32.935    245.570   33.532    43.348  2.8525  42.354  2.9747  0.9936943      4.121366 
1 1 1 -19 -19 17 o 54.570  2.0828  406.918   30.331    405.949   42.816    407.894   42.973    54.506  2.9437  54.635  2.9475  -0.1293335     4.165686 
1 1 1 -19 -19 18 o 29.391  2.3180  119.650   17.932    118.667   25.580    120.600   25.146    29.258  3.3231  29.525  3.2325  -0.2668839     4.635960 
1 1 1 -19 -19 19 o 22.546  2.6435  72.259    15.275    60.385    21.606    84.125    21.598    20.541  4.0710  24.552  3.3735  -4.010902      5.287096 
1 1 1 -19 -19 20 o 54.203  2.0784  402.181   30.057    412.450   42.673    392.071   42.343    54.902  2.9122  53.504  2.9663  1.398602       4.156893 
1 1 1 -19 -19 21 o 25.144  2.5142  88.772    16.450    91.529    23.184    85.977    23.344    25.569  3.4752  24.719  3.6342  0.8500519      5.028360 
1 1 1 -19 -19 22 o 48.784  2.0757  326.982   26.954    308.141   38.241    345.584   37.999    47.342  3.0316  50.226  2.8361  -2.883698      4.151458 
1 1 1 -19 -19 23 o 46.012  2.1000  291.118   25.720    307.247   36.686    275.527   36.069    47.294  2.9102  44.730  3.0284  2.563820       4.200024 
1 1 1 -19 -19 24 o 20.072  3.0043  59.422    15.656    47.513    22.760    70.118    21.570    17.967  4.6821  22.177  3.7659  -4.210306      6.008687 
1 1 1 -19 -19 25 o 22.114  2.8140  70.438    16.037    65.386    22.696    75.476    22.664    21.245  4.1373  22.983  3.8155  -1.737667      5.628085 
1 1 1 -19 -19 26 o 39.525  2.1882  216.901   22.959    212.847   32.982    220.712   31.979    39.129  3.1743  39.922  3.0128  -0.7922592     4.376455 
1 1 1 -19 -19 27 o 20.428  3.1121  61.429    16.513    64.250    23.974    58.883    22.778    20.874  4.4252  19.982  4.3770  0.8921986      6.224195 
1 1 1 -19 -19 28 o 8.6707  2.7521  -7.2185   13.367    -11.7902  19.127    -2.8537   18.689    8.2672  3.7945  9.0743  3.9872  -0.8071709     5.504160 
1 1 1 -19 -19 29 o 17.342  3.2730  45.823    15.982    31.459    23.405    58.373    21.877    14.826  4.9858  19.858  4.2418  -5.031722      6.546052 
1 1 1 -19 -19 30 o 16.475  3.3870  40.517    16.810    22.670    24.080    57.484    23.478    13.420  5.0007  19.530  4.5693  -6.110019      6.773903 
1 1 1 -19 -19 31 o 17.868  4.8146  48.811    23.562    0.0000    0.0000    48.811    23.562    ?       ?       17.868  4.8146  ?              ?        
1 1 1 -19 -19 32 o 35.067  4.7322  184.106   43.313    184.106   43.313    0.0000    0.0000    35.067  4.7322  ?       ?       ?              ?        
1 1 1 -19 -19 33 o 38.071  2.4381  207.079   24.531    220.237   34.526    193.663   34.862    39.398  3.3022  36.745  3.5879  2.652733       4.876237 
1 1 1 -19 -19 34 o 36.703  2.4971  193.318   24.240    188.632   34.243    198.024   34.317    36.224  3.5760  37.183  3.4864  -0.9588737     4.994279 
1 1 1 -19 -19 35 f 16.112  3.6346  40.336    17.691    40.700    25.026    39.972    25.012    16.174  5.1388  16.049  5.1415  0.1249943      7.269210 
1 1 1 -19 -19 36 o 18.820  3.4071  56.222    18.875    85.854    26.607    26.198    26.782    23.759  4.3408  13.881  5.2526  9.878177       6.814131 
1 1 1 -19 -19 37 o 25.153  3.2811  98.634    21.136    75.727    29.190    123.881   30.645    21.637  5.1170  28.668  4.1083  -7.031149      6.562180 
1 1 1 -19 -19 38 o 21.486  3.5718  77.070    20.729    99.741    29.039    53.517    29.599    25.262  4.4545  17.710  5.5846  7.552420       7.143503 
1 1 1 -19 -18 1  o 21.305  2.6648  67.460    14.190    41.030    20.525    91.659    19.640    16.838  4.4746  25.773  2.8952  -8.934568      5.329561 
1 1 1 -19 -18 2  o 28.978  2.1610  115.784   16.490    124.454   23.588    107.496   23.062    30.073  2.9670  27.882  3.1428  2.191250       4.322095 
1 1 1 -19 -18 3  o 24.124  2.3333  81.014    14.671    79.903    21.025    82.068    20.483    23.941  3.3723  24.308  3.2256  -0.3672276     4.666545 
1 1 1 -19 -18 4  o 17.598  2.6837  43.990    12.253    46.545    18.054    41.807    16.684    18.068  3.8484  17.128  3.7415  0.9405479      5.367364 
1 1 1 -19 -18 5  o 7.5737  3.4132  -7.0644   14.613    -7.0644   14.613    0.0000    0.0000    7.5737  3.4132  ?       ?       ?              ?        
1 1 1 -19 -18 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 16 f 20.582  3.9414  60.026    20.937    60.026    20.937    0.0000    0.0000    20.582  3.9414  ?       ?       ?              ?        
1 1 1 -19 -18 17 o 39.065  2.0867  208.548   21.671    205.457   30.444    211.722   30.855    38.770  2.9539  39.361  2.9481  -0.5915146     4.173339 
1 1 1 -19 -18 18 o 40.672  2.0402  226.462   21.959    253.757   31.194    199.647   30.919    43.165  2.7118  38.180  3.0488  4.985744       4.080358 
1 1 1 -19 -18 19 o 47.747  2.0198  310.945   25.696    325.891   36.590    296.402   36.094    48.898  2.8054  46.596  2.9065  2.302036       4.039590 
1 1 1 -19 -18 20 o 28.771  2.3244  115.362   17.408    100.546   24.950    129.417   24.300    26.858  3.5556  30.683  2.9949  -3.825058      4.648839 
1 1 1 -19 -18 21 o 9.3062  2.6924  0.7228    11.282    13.475    16.745    -9.8799   15.269    11.158  4.1677  7.4542  3.4099  3.704098       5.384858 
1 1 1 -19 -18 22 o 44.771  2.0780  274.790   24.749    261.312   35.168    288.013   34.835    43.648  3.0268  45.894  2.8479  -2.245995      4.155970 
1 1 1 -19 -18 23 o 46.636  2.0934  298.816   25.934    273.998   36.775    323.368   36.578    44.649  3.0941  48.624  2.8207  -3.974323      4.186874 
1 1 1 -19 -18 24 o 50.487  2.0665  349.308   27.806    367.090   39.801    332.353   38.864    51.762  2.8822  49.213  2.9621  2.548611       4.132936 
1 1 1 -19 -18 25 o 41.686  2.1024  239.180   23.316    239.029   33.278    239.325   32.679    41.663  3.0022  41.710  2.9439  -0.4769135E-01 4.204781 
1 1 1 -19 -18 26 o 28.915  2.4623  117.338   18.642    115.263   27.095    119.203   25.690    28.619  3.6153  29.210  3.3437  -0.5910721     4.924529 
1 1 1 -19 -18 27 o 11.075  3.0777  10.607    13.581    4.3632    19.469    16.524    18.954    10.202  4.2636  11.948  4.4397  -1.745950      6.155427 
1 1 1 -19 -18 28 o 43.039  2.1905  257.453   25.034    243.599   35.728    270.815   35.088    41.838  3.2128  44.239  2.9785  -2.401749      4.381056 
1 1 1 -19 -18 29 o 32.560  2.4430  149.418   20.972    150.340   30.120    148.551   29.220    32.638  3.5000  32.483  3.4092  0.1546631      4.885963 
1 1 1 -19 -18 30 o 26.706  2.8054  105.963   18.661    135.445   25.991    74.594    26.809    31.062  3.1684  22.351  4.6305  8.711102       5.610731 
1 1 1 -19 -18 31 o 18.301  3.3053  50.512    16.323    43.756    22.626    57.845    23.572    17.004  4.7728  19.597  4.5740  -2.593527      6.610696 
1 1 1 -19 -18 32 o 13.497  3.4023  24.456    15.625    29.534    22.215    19.485    21.981    14.340  4.8573  12.654  4.7655  1.686354       6.804606 
1 1 1 -19 -18 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 34 o 12.666  3.2008  15.021    16.273    39.948    22.423    -12.7147  23.653    16.153  4.8180  9.1776  4.2151  6.975825       6.401564 
1 1 1 -19 -18 35 o 26.922  2.9594  107.441   20.600    98.159    28.607    117.438   29.689    25.609  4.3244  28.234  4.0412  -2.624304      5.918768 
1 1 1 -19 -18 36 o 23.033  3.4037  82.548    20.293    86.758    27.941    77.848    29.522    23.840  4.5414  22.226  5.0710  1.614279       6.807320 
1 1 1 -19 -18 37 o 26.612  3.1067  107.801   21.335    115.397   30.222    100.255   30.123    27.692  4.2069  25.532  4.5726  2.159527       6.213391 
1 1 1 -19 -18 38 o 13.436  3.5627  24.274    18.238    36.145    24.266    8.8634    27.649    15.142  5.0767  11.730  4.9998  3.411889       7.125427 
1 1 1 -19 -18 39 o 13.112  3.6426  22.517    19.197    31.096    25.497    11.288    29.169    14.188  5.1700  12.035  5.1327  2.153645       7.285168 
1 1 1 -19 -17 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -17 2  o 38.725  3.5628  206.848   36.540    0.0000    0.0000    206.848   36.540    ?       ?       38.725  3.5628  ?              ?        
1 1 1 -19 -17 3  o 35.739  2.0241  174.264   19.193    185.306   27.569    163.879   26.738    36.854  2.8141  34.623  2.9102  2.231586       4.048207 
1 1 1 -19 -17 4  o 55.979  2.0111  426.116   30.028    394.230   42.404    458.189   42.527    53.808  2.9535  58.150  2.7304  -4.341774      4.022240 
1 1 1 -19 -17 5  o 41.850  1.9937  238.461   22.209    246.939   31.515    230.096   31.304    42.603  2.7769  41.098  2.8616  1.504818       3.987478 
1 1 1 -19 -17 6  o 53.155  1.9934  383.894   28.277    378.137   39.926    389.688   40.054    52.749  2.8363  53.561  2.8017  -0.8112602     3.986711 
1 1 1 -19 -17 7  o 60.175  2.0353  490.770   32.803    493.660   46.293    487.856   46.488    60.356  2.8635  59.993  2.8930  0.3631210      4.070560 
1 1 1 -19 -17 8  o 37.754  2.0207  193.865   20.246    179.010   28.087    209.933   29.211    36.228  2.9192  39.279  2.7948  -3.050575      4.041349 
1 1 1 -19 -17 9  o 68.015  2.0882  627.100   38.041    625.213   53.518    629.027   54.082    67.915  2.9420  68.115  2.9643  -0.2006073     4.176431 
1 1 1 -19 -17 10 o 68.222  2.0779  630.690   37.965    620.026   53.331    641.647   54.059    67.635  2.9438  68.808  2.9332  -1.172127      4.155715 
1 1 1 -19 -17 11 o 72.882  2.1238  720.279   41.455    721.701   58.239    718.820   59.022    72.962  2.9801  72.802  3.0268  0.1597443      4.247645 
1 1 1 -19 -17 12 o 15.533  2.6969  35.015    11.593    20.370    16.954    47.875    15.888    12.571  4.2434  18.495  3.3296  -5.923650      5.393734 
1 1 1 -19 -17 13 o 53.627  2.0218  390.993   28.904    406.111   40.552    375.381   41.209    54.705  2.7767  52.548  2.9397  2.157776       4.043686 
1 1 1 -19 -17 14 o 135.119 2.9703  2505.94   107.496   2515.55   151.868   2496.30   152.178   135.388 4.1879  134.850 4.2132  0.5386200      5.940523 
1 1 1 -19 -17 15 o 42.492  2.0001  245.651   22.631    248.591   31.894    242.671   32.116    42.756  2.8005  42.228  2.8562  0.5273056      4.000105 
1 1 1 -19 -17 16 o 18.936  2.7647  51.266    13.561    41.410    19.357    60.767    19.005    17.033  4.2553  20.839  3.5309  -3.806747      5.529416 
1 1 1 -19 -17 17 f 22.728  2.9537  67.304    16.183    89.707    30.044    58.148    19.207    25.115  4.6370  20.341  3.6600  4.774420       5.907410 
1 1 1 -19 -17 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -17 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -17 20 o 15.408  4.2914  33.760    18.367    33.760    18.367    0.0000    0.0000    15.408  4.2914  ?       ?       ?              ?        
1 1 1 -19 -17 21 o 34.596  2.0979  163.752   19.208    178.618   27.627    149.840   26.725    36.148  2.8772  33.044  3.0540  3.103313       4.195889 
1 1 1 -19 -17 22 o 10.284  2.5269  2.6529    11.267    -24.8404  16.245    28.142    15.641    6.4759  3.1238  14.092  3.9727  -7.616394      5.053787 
1 1 1 -19 -17 23 o 78.602  2.2332  843.869   47.011    838.471   66.832    849.156   66.141    78.340  3.1850  78.864  3.1312  -0.5236664     4.466366 
1 1 1 -19 -17 24 o 46.674  2.0764  298.038   25.819    306.990   36.986    289.529   36.059    47.362  2.9299  45.986  2.9429  1.375938       4.152732 
1 1 1 -19 -17 25 o 18.886  2.9943  53.080    15.219    30.335    21.953    74.127    21.118    14.818  4.8233  22.954  3.5494  -8.135923      5.988525 
1 1 1 -19 -17 26 o 14.124  3.1525  27.654    13.671    19.267    19.732    35.395    18.958    12.596  4.5545  15.652  4.3602  -3.055882      6.305086 
1 1 1 -19 -17 27 o 36.086  2.2238  180.063   21.249    192.938   30.542    167.984   29.584    37.368  3.0789  34.805  3.2096  2.563324       4.447541 
1 1 1 -19 -17 28 o 55.404  2.1446  423.968   31.626    392.848   44.852    454.742   44.601    53.307  3.1553  57.500  2.9054  -4.192703      4.289193 
1 1 1 -19 -17 29 o 21.537  2.9262  68.531    16.158    83.025    22.441    52.930    23.282    24.184  3.5719  18.890  4.6361  5.293993       5.852466 
1 1 1 -19 -17 30 o 13.872  3.3403  26.193    14.867    22.350    20.236    30.700    21.915    13.060  4.6247  14.684  4.8211  -1.624155      6.680629 
1 1 1 -19 -17 31 o 32.784  2.5024  152.690   21.549    162.978   30.186    141.998   30.773    34.012  3.3573  31.555  3.7118  2.456491       5.004875 
1 1 1 -19 -17 32 o 41.877  2.2926  246.692   25.472    240.532   36.753    252.386   35.335    41.304  3.3510  42.449  3.1299  -1.145115      4.585292 
1 1 1 -19 -17 33 o 25.898  2.9157  98.388    19.484    88.056    27.121    109.408   28.011    24.365  4.3136  27.431  3.9242  -3.065987      5.831475 
1 1 1 -19 -17 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -17 35 o 14.693  3.5325  30.367    17.127    18.634    23.594    43.437    24.901    12.643  4.8931  16.742  5.0962  -4.098950      7.065012 
1 1 1 -19 -17 36 o 21.444  3.3837  73.009    20.083    111.206   28.460    35.127    28.342    27.479  3.9827  15.408  5.4713  12.07160       6.767407 
1 1 1 -19 -17 37 o 14.970  3.5974  31.721    18.883    51.536    26.017    9.6661    27.448    17.990  5.1420  11.951  5.0324  6.038960       7.194792 
1 1 1 -19 -17 38 o 15.995  3.8659  40.394    19.970    45.254    28.538    35.731    27.955    16.729  5.5019  15.261  5.4322  1.468040       7.731787 
1 1 1 -19 -17 39 o 9.7744  3.0630  -11.9887  17.799    14.507    24.110    -43.7276  26.388    11.855  4.8275  7.6936  3.7714  4.161523       6.126036 
1 1 1 -19 -17 40 o 18.430  3.9590  60.127    21.651    68.722    29.061    49.403    32.459    20.069  5.3201  16.790  5.8644  3.278831       7.917961 
1 1 1 -19 -16 1  f 36.942  1.9696  185.959   19.344    182.666   27.256    189.301   27.457    36.608  2.8010  37.277  2.7697  -0.6698608     3.939145 
1 1 1 -19 -16 2  o 13.388  2.1424  24.105    9.9011    -9.0312   14.676    51.783    13.413    7.3872  3.3652  19.389  2.6523  -12.00217      4.284800 
1 1 1 -19 -16 3  o 45.722  1.9439  283.937   23.695    286.199   33.577    281.693   33.444    45.905  2.7434  45.539  2.7549  0.3666801      3.887860 
1 1 1 -19 -16 4  o 21.102  2.4505  62.698    13.250    55.955    19.434    68.554    18.112    19.935  3.7779  22.270  3.1222  -2.334612      4.901066 
1 1 1 -19 -16 5  o 91.984  2.3275  1149.27   57.337    1173.04   81.478    1125.95   80.700    92.933  3.2733  91.034  3.3096  1.898682       4.654900 
1 1 1 -19 -16 6  o 60.258  2.0330  491.462   32.808    481.074   46.242    501.991   46.555    59.612  2.8961  60.904  2.8539  -1.291622      4.065942 
1 1 1 -19 -16 7  o 48.689  1.9792  321.689   25.696    322.884   35.989    320.445   36.700    48.790  2.7653  48.589  2.8322  0.2003746      3.958352 
1 1 1 -19 -16 8  o 57.133  1.9965  442.173   30.490    450.148   42.864    434.005   43.378    57.700  2.7735  56.566  2.8725  1.134003       3.992916 
1 1 1 -19 -16 9  o 80.409  2.2056  876.375   47.499    887.908   67.094    864.786   67.253    80.947  3.0945  79.871  3.1436  1.075867       4.411162 
1 1 1 -19 -16 10 o 15.859  2.3533  36.960    10.976    5.0159    15.753    67.099    15.301    9.5801  3.9018  22.138  2.6321  -12.55752      4.706600 
1 1 1 -19 -16 11 o 65.225  2.0416  575.534   35.662    573.166   49.987    577.989   50.893    65.093  2.8671  65.357  2.9072  -0.2640915     4.083105 
1 1 1 -19 -16 12 o 75.326  2.1214  768.171   42.777    733.492   60.056    803.886   60.945    73.588  3.0469  77.064  2.9525  -3.476776      4.242769 
1 1 1 -19 -16 13 o 84.255  2.2288  962.441   50.295    966.716   70.820    958.092   71.440    84.450  3.1309  84.059  3.1730  0.3911514      4.457601 
1 1 1 -19 -16 14 o 89.506  2.3031  1087.11   55.212    1074.80   77.822    1099.60   78.344    88.992  3.2648  90.019  3.2492  -1.026505      4.606146 
1 1 1 -19 -16 15 o 43.041  1.9555  251.505   22.424    249.449   31.587    253.595   31.839    42.863  2.7660  43.220  2.7649  -0.3564148     3.910961 
1 1 1 -19 -16 16 o 36.519  2.0378  183.410   19.333    140.802   27.096    227.594   27.593    32.059  3.1982  40.978  2.5262  -8.919037      4.075552 
1 1 1 -19 -16 17 o 63.482  2.0283  545.659   34.485    539.795   48.846    551.486   48.693    63.137  2.8884  63.826  2.8482  -0.6897812     4.056517 
1 1 1 -19 -16 18 f 13.800  2.8607  26.376    11.711    16.293    16.978    35.529    16.176    11.781  4.2291  15.818  3.8535  -4.037462      5.721474 
1 1 1 -19 -16 19 f 55.691  1.9749  420.379   29.395    436.975   41.956    404.379   41.196    56.814  2.7571  54.568  2.8282  2.245831       3.949733 
1 1 1 -19 -16 20 f 64.021  2.0666  555.855   35.435    558.387   50.442    553.388   49.789    64.161  2.9352  63.880  2.9099  0.2809410      4.133131 
1 1 1 -19 -16 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -16 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -16 23 o 12.057  3.0281  17.522    12.212    19.159    18.384    16.230    16.338    12.481  4.4093  11.632  4.1515  0.8486938      6.056148 
1 1 1 -19 -16 24 o 60.512  2.0674  498.450   33.492    490.045   47.835    506.534   46.910    59.994  2.9768  61.030  2.8697  -1.036285      4.134762 
1 1 1 -19 -16 25 o 18.658  2.9388  51.305    14.625    31.528    21.049    69.765    20.336    15.022  4.7052  22.295  3.5224  -7.272528      5.877608 
1 1 1 -19 -16 26 o 23.460  2.6680  77.645    16.137    87.437    23.263    68.562    22.403    24.971  3.5805  21.949  3.9563  3.022865       5.335906 
1 1 1 -19 -16 27 o 10.074  2.7550  1.8961    12.302    -17.9815  17.347    22.009    17.450    7.3045  3.4391  12.843  4.3051  -5.538542      5.510050 
1 1 1 -19 -16 28 o 17.849  3.0918  46.531    14.673    48.909    20.493    44.030    21.017    18.339  4.2544  17.359  4.4873  0.9795532      6.183542 
1 1 1 -19 -16 29 o 29.523  2.4541  122.740   18.917    111.081   27.067    133.872   26.449    28.044  3.6933  31.003  3.2326  -2.958368      4.908148 
1 1 1 -19 -16 30 o 12.382  3.2010  18.146    14.000    12.495    19.595    24.040    20.011    11.379  4.4438  13.384  4.6085  -2.004912      6.401969 
1 1 1 -19 -16 31 o 52.014  2.2031  376.062   30.530    362.287   43.354    389.611   42.999    51.022  3.1884  53.007  3.0413  -1.984455      4.406246 
1 1 1 -19 -16 32 o 32.475  2.5468  150.032   21.700    137.051   30.609    163.147   30.767    30.960  3.7689  33.990  3.4262  -3.030046      5.093518 
1 1 1 -19 -16 33 o 37.146  2.4114  195.788   23.586    217.302   33.364    174.295   33.348    39.326  3.1950  34.966  3.6128  4.360031       4.822893 
1 1 1 -19 -16 34 o 21.725  3.3095  71.648    18.687    70.404    26.674    72.846    26.188    21.495  4.7587  21.954  4.6007  -0.4589252     6.619006 
1 1 1 -19 -16 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -16 36 o 19.238  3.6449  58.684    19.626    73.014    27.394    43.572    28.132    21.743  4.8294  16.734  5.4607  5.009167       7.289899 
1 1 1 -19 -16 37 o 16.899  3.8187  44.146    19.876    32.657    27.378    56.949    28.901    14.961  5.3705  18.836  5.4302  -3.875755      7.637374 
1 1 1 -19 -16 38 o 11.708  3.5008  7.2543    19.115    -1.5965   26.289    17.182    27.843    10.589  4.6874  12.828  5.2011  -2.238524      7.001689 
1 1 1 -19 -16 39 o 42.627  2.7125  268.343   30.623    257.912   43.007    279.071   43.614    41.724  3.8933  43.530  3.7781  -1.806843      5.425101 
1 1 1 -19 -16 40 o 9.7954  3.1837  -10.2173  18.918    -11.1572  25.002    -8.9584   28.936    9.3527  4.3096  10.238  4.6873  -0.8852997     6.367334 
1 1 1 -19 -15 1  o 61.162  1.9996  506.339   32.756    506.742   46.560    505.944   46.092    61.183  2.8412  61.141  2.8145  0.4208755E-01  3.999211 
1 1 1 -19 -15 2  o 60.696  1.9783  498.410   32.149    515.767   45.563    481.202   45.367    61.758  2.7544  59.634  2.8403  2.123478       3.956527 
1 1 1 -19 -15 3  o 72.295  2.0844  707.598   40.341    736.615   57.244    678.967   56.861    73.781  2.8966  70.809  2.9980  2.971848       4.168796 
1 1 1 -19 -15 4  o 66.937  2.0577  606.201   36.885    622.445   52.302    590.126   52.027    67.837  2.8785  66.038  2.9414  1.799026       4.115481 
1 1 1 -19 -15 5  o 11.043  2.5654  15.934    8.8546    12.560    13.221    18.678    11.924    10.410  3.7325  11.675  3.5205  -1.265208      5.130858 
1 1 1 -19 -15 6  o 13.809  2.6882  26.798    10.235    26.024    15.242    27.433    13.812    13.666  3.9446  13.952  3.6530  -0.2859945     5.376307 
1 1 1 -19 -15 7  o 42.164  1.9183  241.348   21.519    251.639   30.156    230.670   30.718    43.101  2.6246  41.227  2.7983  1.874454       3.836564 
1 1 1 -19 -15 8  o 40.244  1.9330  219.523   20.704    213.633   28.795    225.829   29.791    39.684  2.7255  40.803  2.7417  -1.119152      3.865959 
1 1 1 -19 -15 9  o 73.702  2.1038  734.680   41.526    742.362   58.491    726.872   58.965    74.097  2.9471  73.307  3.0031  0.7904663      4.207579 
1 1 1 -19 -15 10 o 65.001  2.0283  571.198   35.298    580.913   49.468    561.120   50.382    65.575  2.8164  64.427  2.9196  1.147629       4.056621 
1 1 1 -19 -15 11 o 47.189  1.9294  302.769   24.177    329.377   33.868    275.122   34.523    49.348  2.5712  45.031  2.8773  4.317238       3.858772 
1 1 1 -19 -15 12 o 43.095  1.9262  251.497   22.107    240.388   30.767    263.353   31.785    42.105  2.7431  44.085  2.7048  -1.980610      3.852391 
1 1 1 -19 -15 13 o 21.799  2.3019  65.921    12.984    60.384    18.448    71.357    18.278    20.836  3.4247  22.763  3.0767  -1.927477      4.603753 
1 1 1 -19 -15 14 o 26.221  2.2118  94.901    14.876    118.431   21.440    73.058    20.658    29.487  2.7462  22.954  3.4681  6.533421       4.423693 
1 1 1 -19 -15 15 o 21.756  2.3336  65.498    13.160    69.405    18.954    61.862    18.286    22.404  3.2536  21.108  3.3461  1.296530       4.667170 
1 1 1 -19 -15 16 o 57.704  1.9712  450.954   30.365    422.578   42.894    479.458   42.992    55.829  2.8783  59.579  2.6940  -3.750927      3.942358 
1 1 1 -19 -15 17 o 52.477  1.9460  373.217   27.253    367.147   38.587    379.260   38.498    52.045  2.7781  52.910  2.7257  -0.8655586     3.891963 
1 1 1 -19 -15 18 o 40.054  1.9124  217.686   20.391    224.335   29.145    211.310   28.541    40.658  2.6914  39.450  2.7176  1.208267       3.824814 
1 1 1 -19 -15 19 o 47.969  1.9498  312.571   24.912    298.152   35.516    326.535   34.952    46.856  2.8433  49.083  2.6687  -2.226379      3.899542 
1 1 1 -19 -15 20 o 45.012  1.9527  274.989   23.421    284.432   33.493    265.953   32.764    45.774  2.7444  44.250  2.7785  1.524792       3.905336 
1 1 1 -19 -15 21 o 26.355  2.2567  96.184    15.496    89.176    22.614    102.388   21.277    25.381  3.4129  27.330  2.9536  -1.948233      4.513451 
1 1 1 -19 -15 22 o 32.233  2.1418  142.864   18.175    132.964   26.397    151.788   25.061    31.114  3.2138  33.352  2.8321  -2.238401      4.283647 
1 1 1 -19 -15 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -15 24 o 63.297  4.1892  554.580   70.622    554.580   70.622    0.0000    0.0000    63.297  4.1892  ?       ?       ?              ?        
1 1 1 -19 -15 25 o 29.841  2.2890  123.047   17.966    118.071   25.806    127.726   25.028    29.215  3.3590  30.467  3.1106  -1.251551      4.578063 
1 1 1 -19 -15 26 o 23.584  2.5402  78.562    15.400    68.507    22.128    88.008    21.447    21.991  3.8995  25.178  3.2564  -3.187250      5.080376 
1 1 1 -19 -15 27 o 34.224  2.2179  162.069   19.987    144.937   28.441    178.784   28.093    32.356  3.3293  36.093  2.9313  -3.737305      4.435802 
1 1 1 -19 -15 28 o 32.267  2.3450  144.624   19.925    155.152   28.161    134.070   28.196    33.501  3.1763  31.033  3.4506  2.468540       4.689944 
1 1 1 -19 -15 29 o 29.029  2.4952  118.823   18.803    103.447   26.898    133.517   26.295    27.049  3.8188  31.009  3.2126  -3.959389      4.990383 
1 1 1 -19 -15 30 o 39.104  2.2629  212.094   23.484    211.843   33.659    212.333   32.782    39.061  3.2465  39.146  3.1533  -0.8443069E-01 4.525776 
1 1 1 -19 -15 31 o 66.468  2.2763  611.279   40.524    619.512   57.379    603.087   57.240    66.926  3.2009  66.009  3.2375  0.9172668      4.552698 
1 1 1 -19 -15 32 o 30.532  2.6750  134.073   20.979    108.217   29.725    159.734   29.613    27.327  4.1952  33.736  3.3202  -6.409365      5.350032 
1 1 1 -19 -15 33 o 33.579  2.5478  160.742   22.449    146.750   31.977    174.338   31.522    32.011  3.8039  35.147  3.3905  -3.135750      5.095625 
1 1 1 -19 -15 34 o 9.4039  2.9233  -6.6539   14.488    -17.6311  19.146    8.0543    22.162    7.7308  3.6313  11.077  4.5821  -3.346139      5.846571 
1 1 1 -19 -15 35 o 17.459  5.4117  47.392    27.927    0.0000    0.0000    47.392    27.927    ?       ?       17.459  5.4117  ?              ?        
1 1 1 -19 -15 36 o 16.103  4.3225  37.068    23.538    42.108    26.016    14.322    55.265    16.512  5.2387  15.693  6.8770  0.8181438      8.645044 
1 1 1 -19 -15 37 o 13.697  3.7041  23.565    19.219    30.390    26.289    15.730    28.167    14.586  5.2597  12.808  5.2170  1.777724       7.408230 
1 1 1 -19 -15 38 f 9.7365  3.1129  -7.5445   17.319    -6.6630   23.646    -8.5647   25.438    9.6388  4.3430  9.8341  4.4608  -0.1952839     6.225755 
1 1 1 -19 -15 39 o 15.108  3.7939  34.518    19.861    44.504    26.762    22.275    29.631    16.642  5.3169  13.575  5.4135  3.067472       7.587821 
1 1 1 -19 -15 40 o 37.959  2.9166  217.044   29.129    233.161   42.348    202.570   40.131    39.350  4.0771  36.568  4.1719  2.782536       5.833286 
1 1 1 -19 -15 41 o 11.717  3.2174  16.407    13.120    22.757    25.499    14.121    15.301    12.917  5.0623  10.518  3.9725  2.399471       6.434889 
1 1 1 -19 -14 1  o 29.212  2.0195  116.715   15.537    105.931   21.981    127.482   21.964    27.820  2.9972  30.603  2.7075  -2.782860      4.039021 
1 1 1 -19 -14 2  o 62.895  1.9789  534.583   33.314    560.595   47.353    509.092   46.876    64.421  2.7443  61.370  2.8517  3.051514       3.957721 
1 1 1 -19 -14 3  o 52.621  1.8927  374.307   26.625    367.960   37.716    380.612   37.591    52.137  2.7101  53.106  2.6427  -0.9689598     3.785337 
1 1 1 -19 -14 4  o 61.857  1.9924  516.777   33.010    519.212   46.718    514.349   46.649    62.003  2.8131  61.710  2.8223  0.2927322      3.984806 
1 1 1 -19 -14 5  o 10.493  2.5299  12.764    8.6838    19.459    13.113    7.5332    11.589    11.984  3.7072  9.0025  3.4435  2.981249       5.059746 
1 1 1 -19 -14 6  o 67.582  2.0215  616.818   36.574    591.592   51.549    642.387   51.899    66.181  2.9080  68.983  2.8088  -2.802299      4.043056 
1 1 1 -19 -14 7  o 104.976 2.4807  1493.79   69.745    1520.78   98.878    1467.07   98.393    105.928 3.4850  104.024 3.5314  1.903648       4.961413 
1 1 1 -19 -14 8  o 19.803  2.5084  56.243    12.573    73.020    17.569    38.630    18.002    23.078  2.9068  16.528  4.0888  6.549812       5.016769 
1 1 1 -19 -14 9  o 49.790  1.8949  334.939   25.160    318.655   35.041    352.268   36.148    48.534  2.7063  51.046  2.6529  -2.512749      3.789709 
1 1 1 -19 -14 10 o 71.162  2.0428  684.162   38.906    707.420   54.641    660.244   55.411    72.403  2.8175  69.920  2.9587  2.483009       4.085655 
1 1 1 -19 -14 11 o 22.921  2.2066  72.287    13.195    71.471    18.588    73.116    18.734    22.788  3.1279  23.055  3.1133  -0.2678871     4.413203 
1 1 1 -19 -14 12 o 21.608  2.3121  64.705    12.908    71.500    18.289    57.961    18.220    22.802  3.0729  20.413  3.4556  2.388395       4.624252 
1 1 1 -19 -14 13 o 18.511  2.4689  47.836    11.767    55.965    17.032    40.414    16.276    20.084  3.2792  16.938  3.6917  3.146294       4.937813 
1 1 1 -19 -14 14 o 27.242  2.0663  101.744   14.673    118.835   20.950    85.286    20.558    29.564  2.6746  24.919  3.1503  4.644106       4.132563 
1 1 1 -19 -14 15 o 32.311  1.9454  141.868   16.674    144.605   23.803    139.230   23.364    32.619  2.7500  32.003  2.7524  0.6165047      3.890844 
1 1 1 -19 -14 16 o 42.644  1.8912  246.401   21.434    270.096   30.633    223.673   30.001    44.679  2.5705  40.609  2.7748  4.070263       3.782476 
1 1 1 -19 -14 17 f 58.827  1.9389  467.412   30.543    458.239   43.367    476.440   43.025    58.248  2.7797  59.407  2.7039  -1.159019      3.877851 
1 1 1 -19 -14 18 o 27.110  2.1802  102.912   15.051    78.023    21.610    126.358   20.974    23.727  3.5059  30.492  2.5927  -6.765427      4.360449 
1 1 1 -19 -14 19 o 31.074  2.0189  131.467   16.532    148.799   23.884    115.523   22.907    33.079  2.7197  29.069  2.9844  4.010067       4.037777 
1 1 1 -19 -14 20 o 35.449  1.9542  170.673   18.392    175.417   26.720    166.402   25.353    35.913  2.7999  34.986  2.7270  0.9265060      3.908486 
1 1 1 -19 -14 21 o 69.541  2.0789  654.688   38.716    668.904   55.234    640.956   54.284    70.284  2.9340  68.797  2.9459  1.487022       4.157721 
1 1 1 -19 -14 22 o 53.541  1.9621  387.934   28.011    426.232   40.392    352.455   38.877    56.141  2.6861  50.941  2.8609  5.199993       3.924277 
1 1 1 -19 -14 23 o 39.408  2.0328  212.303   21.219    198.993   30.734    224.427   29.333    38.181  3.0302  40.635  2.7106  -2.454144      4.065597 
1 1 1 -19 -14 24 o 14.610  3.5267  27.335    15.221    25.072    30.350    28.096    17.593    15.015  5.6104  14.205  4.2747  0.8090353      7.053316 
1 1 1 -19 -14 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -14 26 o 43.952  2.0867  264.158   24.378    246.602   34.492    281.680   34.458    42.455  3.0536  45.450  2.8449  -2.994293      4.173486 
1 1 1 -19 -14 27 o 55.309  2.0923  418.198   30.849    401.479   43.955    434.427   43.307    54.186  3.0408  56.432  2.8746  -2.246826      4.184509 
1 1 1 -19 -14 28 o 14.515  3.2361  29.300    14.087    26.759    19.894    31.856    19.951    14.020  4.5929  15.010  4.5601  -0.9897423     6.472199 
1 1 1 -19 -14 29 o 39.630  2.1845  216.305   23.004    216.735   32.712    215.885   32.356    39.665  3.1038  39.596  3.0749  0.6826782E-01  4.368987 
1 1 1 -19 -14 30 o 27.564  2.7274  108.747   19.160    85.685    27.153    131.618   27.040    24.391  4.3142  30.736  3.3382  -6.345779      5.454848 
1 1 1 -19 -14 31 o 59.694  2.2377  492.626   35.631    512.357   50.500    473.068   50.279    60.922  3.1051  58.466  3.2231  2.455811       4.475489 
1 1 1 -19 -14 32 o 26.314  2.8694  99.509    19.530    90.815    27.171    108.801   28.091    25.042  4.1995  27.586  3.9112  -2.544312      5.738725 
1 1 1 -19 -14 33 o 31.328  2.6709  140.352   21.819    155.776   30.881    124.975   30.834    33.191  3.5278  29.465  4.0111  3.725805       5.341769 
1 1 1 -19 -14 34 o 17.647  3.4464  47.385    16.989    39.678    24.244    54.821    23.815    16.259  5.0427  19.035  4.6992  -2.776436      6.892827 
1 1 1 -19 -14 35 o 12.320  3.3583  14.207    16.674    29.224    23.333    -1.4667   23.837    14.346  4.9742  10.293  4.5134  4.052121       6.716657 
1 1 1 -19 -14 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -14 37 o 10.352  3.1833  -2.6647   16.481    -12.6468  21.382    11.943    25.867    8.6483  3.9851  12.056  4.9651  -3.407597      6.366618 
1 1 1 -19 -14 38 f 31.868  3.1161  152.230   25.497    124.300   35.379    182.413   36.778    28.472  4.8106  35.265  3.9622  -6.793497      6.232283 
1 1 1 -19 -14 39 o 42.060  2.8015  260.716   31.140    245.464   43.877    276.194   44.203    40.699  4.0800  43.420  3.8403  -2.721645      5.603053 
1 1 1 -19 -14 40 o 11.385  3.1684  11.842    13.023    24.891    24.596    6.7583    15.352    13.393  5.0416  9.3770  3.8391  4.016371       6.336882 
1 1 1 -19 -14 41 o 10.133  2.8977  10.189    12.005    -4.4542   23.739    15.221    13.915    9.6635  4.3530  10.602  3.8261  -0.9387665     5.795498 
1 1 1 -19 -13 1  o 57.411  1.9389  444.943   29.802    461.403   42.265    428.666   42.029    58.474  2.6985  56.347  2.7848  2.126392       3.877747 
1 1 1 -19 -13 2  o 95.826  2.3294  1243.00   59.774    1281.28   84.954    1205.48   84.119    97.297  3.2598  94.354  3.3284  2.942856       4.658863 
1 1 1 -19 -13 3  o 111.833 2.5919  1696.88   77.617    1659.41   110.168   1733.82   109.369   110.586 3.7194  113.081 3.6109  -2.494568      5.183846 
1 1 1 -19 -13 4  o 64.359  2.0100  559.049   34.623    532.715   48.890    585.542   49.038    62.827  2.9052  65.890  2.7786  -3.063087      4.020072 
1 1 1 -19 -13 5  o 38.094  1.9241  198.815   19.183    236.025   26.979    160.765   27.282    41.804  2.4198  34.384  2.9921  7.419487       3.848150 
1 1 1 -19 -13 6  o 52.115  1.9036  366.884   26.479    359.959   37.161    374.027   37.739    51.614  2.6974  52.617  2.6868  -1.003353      3.807166 
1 1 1 -19 -13 7  o 73.910  2.0753  736.905   41.071    714.006   57.906    760.086   58.263    72.748  2.9718  75.072  2.8975  -2.324371      4.150544 
1 1 1 -19 -13 8  f 77.463  2.0995  809.480   43.547    782.177   61.343    837.218   61.830    76.139  3.0079  78.787  2.9299  -2.648354      4.199035 
1 1 1 -19 -13 9  o 71.965  2.0390  698.661   39.284    718.065   55.256    678.830   55.860    72.986  2.8265  70.945  2.9396  2.040756       4.078065 
1 1 1 -19 -13 10 o 48.241  1.8614  314.377   23.953    315.546   33.475    313.150   34.288    48.339  2.5950  48.143  2.6694  0.1960831      3.722867 
1 1 1 -19 -13 11 o 67.936  1.9963  622.121   36.324    618.899   51.056    625.423   51.689    67.760  2.8131  68.113  2.8332  -0.3530426     3.992583 
1 1 1 -19 -13 12 o 74.075  2.0567  739.996   40.805    731.535   57.476    748.594   57.942    73.648  2.9136  74.503  2.9035  -0.8555908     4.113373 
1 1 1 -19 -13 13 o 36.366  1.8948  179.228   18.316    184.475   25.782    173.881   26.026    36.915  2.6247  35.817  2.7335  1.097881       3.789602 
1 1 1 -19 -13 14 o 47.124  1.8633  300.302   23.392    319.696   33.199    281.179   32.964    48.654  2.5565  45.595  2.7114  3.058247       3.726575 
1 1 1 -19 -13 15 o 76.043  2.0995  780.583   42.755    802.139   60.682    759.333   60.249    77.092  2.9387  74.994  2.9994  2.097282       4.199096 
1 1 1 -19 -13 16 o 62.554  1.9650  527.745   32.920    537.283   46.930    518.505   46.192    63.111  2.7762  61.997  2.7816  1.113548       3.930016 
1 1 1 -19 -13 17 o 97.849  2.3957  1296.58   62.776    1333.12   89.229    1260.77   88.334    99.224  3.3574  96.474  3.4184  2.749191       4.791423 
1 1 1 -19 -13 18 o 31.059  1.9882  131.372   16.336    129.460   23.642    133.118   22.598    30.826  2.8974  31.293  2.7233  -0.4667015     3.976323 
1 1 1 -19 -13 19 o 38.143  1.9081  197.053   19.346    203.041   28.192    191.724   26.597    38.686  2.7384  37.601  2.6579  1.084709       3.816238 
1 1 1 -19 -13 20 o 12.346  2.8494  19.933    11.106    13.101    16.459    25.643    15.047    11.122  4.1364  13.570  3.9200  -2.447944      5.698727 
1 1 1 -19 -13 21 o 35.353  2.0119  171.583   18.688    148.201   26.894    193.414   25.987    32.939  3.0841  37.766  2.5845  -4.826290      4.023880 
1 1 1 -19 -13 22 o 62.360  2.0572  526.622   34.343    513.719   48.951    539.129   48.195    61.595  2.9671  63.126  2.8504  -1.531551      4.114387 
1 1 1 -19 -13 23 o 48.681  1.9924  321.526   25.833    344.741   37.053    299.568   36.036    50.410  2.7547  46.952  2.8793  3.457638       3.984828 
1 1 1 -19 -13 24 o 41.774  2.0064  237.512   22.306    232.971   31.823    241.898   31.275    41.367  2.8902  42.180  2.7838  -0.8130951     4.012883 
1 1 1 -19 -13 25 o 33.591  2.1987  154.765   19.526    149.748   28.069    159.470   27.181    33.033  3.2131  34.149  3.0022  -1.115772      4.397417 
1 1 1 -19 -13 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -13 27 o 54.596  2.0991  406.508   30.577    414.854   43.662    398.475   42.834    55.148  2.9667  54.044  2.9704  1.103870       4.198190 
1 1 1 -19 -13 28 o 48.332  2.1492  321.322   27.500    284.117   39.208    357.348   38.582    45.484  3.2395  51.180  2.8254  -5.696278      4.298463 
1 1 1 -19 -13 29 o 26.336  2.6700  98.025    18.157    86.565    25.912    109.079   25.449    24.695  4.0584  27.977  3.4706  -3.282177      5.340064 
1 1 1 -19 -13 30 o 32.137  2.4819  144.532   20.608    177.074   29.671    114.203   28.644    35.812  3.1245  28.461  3.8569  7.351439       4.963703 
1 1 1 -19 -13 31 o 66.347  2.2625  605.953   40.202    618.757   57.051    593.324   56.659    67.056  3.1764  65.638  3.2227  1.418335       4.525003 
1 1 1 -19 -13 32 o 27.569  2.7885  108.681   19.877    122.014   28.246    95.601    27.976    29.386  3.6684  25.752  4.2007  3.633934       5.576998 
1 1 1 -19 -13 33 o 56.046  2.3420  438.210   34.973    424.447   49.830    451.571   49.097    55.123  3.3914  56.970  3.2308  -1.847343      4.684017 
1 1 1 -19 -13 34 o 30.242  2.8972  133.577   22.360    105.858   31.621    161.302   31.624    26.758  4.5765  33.727  3.5541  -6.969803      5.794490 
1 1 1 -19 -13 35 o 15.363  3.4465  33.752    17.594    52.871    23.870    11.012    26.032    18.630  4.7647  12.095  4.9811  6.534627       6.893012 
1 1 1 -19 -13 36 o 35.310  3.2204  187.168   28.874    174.890   45.215    195.622   37.520    33.837  5.1514  36.783  3.8661  -2.945835      6.440796 
1 1 1 -19 -13 37 o 18.153  5.2014  51.810    26.590    51.810    26.590    0.0000    0.0000    18.153  5.2014  ?       ?       ?              ?        
1 1 1 -19 -13 38 o 28.571  2.5784  115.644   18.380    128.242   31.615    109.212   22.590    29.431  4.1237  27.711  3.0965  1.720194       5.156849 
1 1 1 -19 -13 39 o 11.301  3.0959  14.575    12.639    12.499    23.324    15.439    15.039    11.666  4.7492  10.936  3.9728  0.7307329      6.191760 
1 1 1 -19 -13 40 o 29.917  2.9689  142.008   20.763    113.052   35.570    156.974   25.572    26.587  5.1811  33.247  2.9007  -6.660431      5.937849 
1 1 1 -19 -13 41 o 9.6035  2.8956  4.4761    11.343    7.8284    23.585    3.4674    12.937    10.939  4.6387  8.2682  3.4669  2.670550       5.791107 
1 1 1 -19 -13 42 o 7.8771  2.5473  -4.7644   11.027    -18.8370  22.620    -0.3775   12.629    8.2085  3.8835  7.5457  3.2975  0.6628509      5.094627 
1 1 1 -19 -12 1  o 39.822  1.8835  214.656   19.971    219.594   28.307    209.761   28.181    40.284  2.6380  39.360  2.6892  0.9241714      3.767045 
1 1 1 -19 -12 2  o 117.725 2.6478  1877.79   83.487    1906.17   118.587   1849.90   117.556   118.611 3.7327  116.838 3.7564  1.772453       5.295624 
1 1 1 -19 -12 3  o 109.602 2.5170  1625.02   73.891    1628.79   104.881   1621.31   104.118   109.725 3.5686  109.479 3.5506  0.2467804      5.034099 
1 1 1 -19 -12 4  o 64.297  1.9957  557.038   34.368    559.802   48.548    554.261   48.661    64.459  2.8119  64.136  2.8326  0.3226700      3.991300 
1 1 1 -19 -12 5  o 43.050  1.8841  250.388   21.608    239.641   30.321    261.478   30.801    42.103  2.7029  43.998  2.6256  -1.894993      3.768215 
1 1 1 -19 -12 6  o 64.969  1.9585  568.348   34.081    564.464   47.990    572.299   48.408    64.745  2.7673  65.192  2.7722  -0.4471664     3.917024 
1 1 1 -19 -12 7  o 63.446  1.9601  541.917   33.306    538.021   46.712    545.945   47.501    63.215  2.7588  63.676  2.7851  -0.4606171     3.920142 
1 1 1 -19 -12 8  f 96.471  2.3428  1255.81   60.534    1267.78   85.536    1243.79   85.680    96.935  3.2944  96.006  3.3319  0.9292679      4.685597 
1 1 1 -19 -12 9  o 85.105  2.1651  977.094   49.294    1028.75   69.559    924.977   69.868    87.382  2.9719  82.827  3.1493  4.554855       4.330182 
1 1 1 -19 -12 10 o 56.817  1.9059  434.444   29.002    432.022   40.709    436.939   41.330    56.658  2.6825  56.977  2.7082  -0.3188248     3.811812 
1 1 1 -19 -12 11 f 107.897 2.4842  1572.83   71.768    1616.97   101.362   1528.45   101.630   109.430 3.4582  106.365 3.5673  3.065247       4.968351 
1 1 1 -19 -12 12 o 46.452  1.8597  291.347   23.036    282.129   32.535    300.614   32.620    45.707  2.6692  47.196  2.5903  -1.489628      3.719412 
1 1 1 -19 -12 13 f 69.196  1.9989  645.101   37.032    623.680   52.357    666.545   52.386    68.039  2.8729  70.352  2.7800  -2.312546      3.997787 
1 1 1 -19 -12 14 o 64.678  1.9713  563.476   34.150    566.635   48.489    560.368   48.103    64.857  2.7912  64.499  2.7844  0.3587036      3.942590 
1 1 1 -19 -12 15 o 71.034  2.0193  680.075   38.417    678.696   54.662    681.421   54.004    70.960  2.8760  71.108  2.8354  -0.1486740     4.038661 
1 1 1 -19 -12 16 o 60.950  1.9493  500.445   31.818    511.355   45.459    489.967   44.549    61.601  2.7551  60.298  2.7583  1.302486       3.898589 
1 1 1 -19 -12 17 o 62.232  1.9432  522.119   32.382    518.786   46.246    525.324   45.358    62.032  2.7834  62.432  2.7124  -0.4000969     3.886426 
1 1 1 -19 -12 18 o 44.711  1.8757  270.386   22.352    269.915   32.063    270.831   31.175    44.666  2.6926  44.755  2.6120  -0.8920670E-01 3.751359 
1 1 1 -19 -12 19 f 21.604  2.3767  64.801    13.262    62.127    19.293    67.196    18.259    21.136  3.5327  22.072  3.1803  -0.9359360     4.753348 
1 1 1 -19 -12 20 o 76.290  2.1225  786.833   43.364    780.544   61.731    792.961   60.930    75.981  3.0332  76.598  2.9698  -0.6169281     4.245009 
1 1 1 -19 -12 21 o 77.592  2.1579  814.658   44.841    808.561   63.772    820.619   63.063    77.297  3.0802  77.886  3.0229  -0.5891037     4.315726 
1 1 1 -19 -12 22 o 52.044  1.9623  367.235   27.241    357.709   38.799    376.497   38.256    51.364  2.8310  52.725  2.7182  -1.360374      3.924686 
1 1 1 -19 -12 23 o 52.071  2.0015  367.887   27.800    363.450   39.690    372.160   38.952    51.751  2.8746  52.390  2.7858  -0.6390419     4.003035 
1 1 1 -19 -12 24 o 56.696  2.0528  437.513   30.968    396.613   44.173    477.043   43.427    54.001  3.0666  59.391  2.7299  -5.390148      4.105697 
1 1 1 -19 -12 25 o 31.165  2.2386  134.162   18.268    120.446   26.480    146.618   25.234    29.562  3.4066  32.768  2.9052  -3.206388      4.477147 
1 1 1 -19 -12 26 o 37.588  2.1472  193.941   21.311    174.266   30.453    212.824   29.832    35.652  3.2239  39.524  2.8369  -3.871750      4.294303 
1 1 1 -19 -12 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -12 28 o 18.072  3.1026  46.962    14.863    45.301    20.686    48.735    21.370    17.743  4.3793  18.401  4.3962  -0.6575584     6.205236 
1 1 1 -19 -12 29 f 20.088  3.0164  57.951    15.742    50.946    21.981    65.327    22.554    18.775  4.4408  21.401  4.0835  -2.626947      6.032877 
1 1 1 -19 -12 30 o 33.587  2.4181  156.704   21.380    143.006   30.089    170.671   30.385    32.038  3.5669  35.136  3.2660  -3.097664      4.836282 
1 1 1 -19 -12 31 o 21.097  3.1395  65.358    17.273    84.381    24.522    46.626    24.334    24.370  3.8875  17.824  4.9308  6.545683       6.278941 
1 1 1 -19 -12 32 o 25.946  2.9351  96.598    19.706    95.374    27.982    97.802    27.758    25.760  4.2003  26.132  4.1007  -0.3724098     5.870105 
1 1 1 -19 -12 33 o 41.593  2.4226  244.207   26.394    206.816   37.870    279.527   36.807    38.281  3.7413  44.905  3.0788  -6.624306      4.845192 
1 1 1 -19 -12 34 o 18.397  3.5480  51.260    17.978    53.419    24.981    48.942    25.893    18.811  4.9069  17.984  5.1260  0.8264408      7.096009 
1 1 1 -19 -12 35 o 18.190  3.4644  49.731    17.986    31.395    24.948    69.579    25.956    14.872  5.1442  21.508  4.6416  -6.636277      6.928734 
1 1 1 -19 -12 36 f 15.505  3.0195  30.242    12.781    56.865    22.836    18.098    15.423    19.393  4.4857  11.618  4.0433  7.774578       6.038981 
1 1 1 -19 -12 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -12 38 o 11.021  2.9529  12.996    13.076    -8.3217   22.948    23.245    15.911    9.3735  4.2458  12.669  4.1052  -3.295510      5.905880 
1 1 1 -19 -12 39 o 36.191  2.4977  186.781   22.751    196.477   38.764    181.686   28.100    36.517  4.0303  35.865  2.9514  0.6525993      4.995404 
1 1 1 -19 -12 40 o 20.744  3.3059  61.270    16.983    88.430    30.755    49.354    20.371    23.606  5.0186  17.882  4.3047  5.724010       6.611879 
1 1 1 -19 -12 41 o 17.166  3.4128  43.931    15.449    59.975    27.789    36.754    18.585    19.014  5.2724  15.318  4.3348  3.696025       6.825598 
1 1 1 -19 -12 42 o 30.874  2.8114  143.421   21.584    152.722   36.777    138.533   26.659    31.057  4.5566  30.692  3.2944  0.3648338      5.622785 
1 1 1 -19 -11 1  o 98.557  3.0141  1322.85   74.439    1328.66   90.872    1311.01   129.783   99.178  3.4208  97.937  4.9637  1.240829       6.028267 
1 1 1 -19 -11 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -11 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -11 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -11 5  o 33.726  3.4394  154.970   30.635    0.0000    0.0000    154.970   30.635    ?       ?       33.726  3.4394  ?              ?        
1 1 1 -19 -11 6  o 36.611  3.4849  182.382   33.761    0.0000    0.0000    182.382   33.761    ?       ?       36.611  3.4849  ?              ?        
1 1 1 -19 -11 7  o 61.932  3.8016  519.833   62.758    0.0000    0.0000    519.833   62.758    ?       ?       61.932  3.8016  ?              ?        
1 1 1 -19 -11 8  o 108.612 4.9738  1601.99   144.695   0.0000    0.0000    1601.99   144.695   ?       ?       108.612 4.9738  ?              ?        
1 1 1 -19 -11 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -11 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -11 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -11 12 o 106.790 4.8863  1548.86   139.765   1548.86   139.765   0.0000    0.0000    106.790 4.8863  ?       ?       ?              ?        
1 1 1 -19 -11 13 o 89.092  2.2296  1069.44   53.205    1077.19   75.439    1061.76   75.049    89.414  3.1500  88.770  3.1564  0.6439209      4.459267 
1 1 1 -19 -11 14 o 76.315  2.0719  784.117   42.347    799.436   60.259    769.170   59.523    77.053  2.9197  75.577  2.9404  1.475533       4.143766 
1 1 1 -19 -11 15 o 73.361  2.0460  725.198   40.179    705.419   57.233    744.420   56.420    72.365  2.9527  74.356  2.8328  -1.990730      4.091912 
1 1 1 -19 -11 16 o 28.634  1.9852  111.958   14.948    101.745   21.437    121.623   20.854    27.319  2.9779  29.949  2.6262  -2.630590      3.970446 
1 1 1 -19 -11 17 o 20.141  2.3781  55.881    12.332    63.913    18.179    49.035    16.783    21.524  3.2549  18.759  3.4680  2.764841       4.756228 
1 1 1 -19 -11 18 o 65.100  1.9643  571.089   34.244    572.534   48.951    569.704   47.921    65.177  2.8040  65.023  2.7515  0.1536331      3.928524 
1 1 1 -19 -11 19 o 127.754 2.8206  2216.01   96.515    2237.70   136.763   2194.49   136.223   128.382 3.9772  127.126 4.0006  1.255638       5.641201 
1 1 1 -19 -11 20 o 65.618  2.0134  581.354   35.366    563.469   50.292    598.850   49.742    64.609  2.9062  66.627  2.7873  -2.018570      4.026755 
1 1 1 -19 -11 21 o 56.678  1.9766  433.646   30.003    431.787   42.743    435.451   42.124    56.554  2.8217  56.802  2.7687  -0.2479134     3.953219 
1 1 1 -19 -11 22 o 42.442  2.0033  246.556   22.400    210.697   32.098    280.598   31.274    39.347  3.0700  45.538  2.5746  -6.191078      4.006652 
1 1 1 -19 -11 23 o 23.778  2.3772  78.665    14.607    70.685    21.082    86.032    20.257    22.533  3.6153  25.023  3.0877  -2.490547      4.754436 
1 1 1 -19 -11 24 o 50.281  2.0089  343.173   26.934    338.716   38.505    347.443   37.687    49.949  2.8904  50.614  2.7908  -0.6643257     4.017821 
1 1 1 -19 -11 25 o 51.692  2.0814  363.154   28.690    361.594   41.019    364.648   40.143    51.573  2.9821  51.811  2.9044  -0.2378273     4.162767 
1 1 1 -19 -11 26 o 42.220  2.1126  243.596   23.664    230.403   34.130    255.811   32.840    41.076  3.1256  43.364  2.8432  -2.287605      4.225245 
1 1 1 -19 -11 27 o 50.995  2.1448  355.210   29.095    337.827   41.835    371.494   40.491    49.743  3.1563  52.247  2.9049  -2.503361      4.289564 
1 1 1 -19 -11 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -11 29 o 27.111  2.5741  102.468   18.201    108.332   26.139    96.949    25.360    27.892  3.5816  26.329  3.6980  1.562658       5.148110 
1 1 1 -19 -11 30 o 54.232  2.2399  404.021   32.315    436.657   45.831    371.753   45.572    56.470  3.0413  51.994  3.2893  4.476021       4.479818 
1 1 1 -19 -11 31 o 28.347  2.6798  113.114   19.769    123.754   28.199    102.830   27.722    29.738  3.6145  26.955  3.9575  2.783590       5.359693 
1 1 1 -19 -11 32 o 31.184  2.6453  136.768   21.638    143.376   30.995    130.485   30.220    31.947  3.6901  30.420  3.7912  1.526596       5.290520 
1 1 1 -19 -11 33 f 38.496  2.4482  207.443   24.900    190.215   35.073    224.952   35.358    36.804  3.6040  40.188  3.3143  -3.383694      4.896329 
1 1 1 -19 -11 34 o 13.546  3.4745  23.543    16.531    30.058    20.976    12.864    26.857    14.514  4.7142  12.577  5.1052  1.936529       6.948921 
1 1 1 -19 -11 35 f 36.947  2.2998  194.641   21.542    180.560   35.127    203.129   27.273    35.576  3.7425  38.318  2.6741  -2.741764      4.599635 
1 1 1 -19 -11 36 o 36.426  2.2799  181.420   21.422    212.196   35.516    163.820   26.858    38.653  3.4673  34.200  2.9612  4.453068       4.559755 
1 1 1 -19 -11 37 o 12.891  4.0955  24.087    15.896    0.0000    0.0000    24.087    15.896    ?       ?       12.891  4.0955  ?              ?        
1 1 1 -19 -11 38 o 32.513  2.4899  149.203   20.677    164.025   34.244    140.698   25.939    33.532  3.8847  31.495  3.1157  2.036766       4.979772 
1 1 1 -19 -11 39 o 7.5371  2.4693  -9.6546   11.174    -19.9712  20.631    -5.3724   13.292    7.8640  3.7170  7.2102  3.2517  0.6537614      4.938585 
1 1 1 -19 -11 40 o 12.262  3.2967  18.350    14.050    21.331    25.611    17.067    16.805    13.086  5.0886  11.437  4.1927  1.648728       6.593394 
1 1 1 -19 -11 41 f 18.460  3.4099  51.601    16.061    64.622    29.054    45.870    19.274    19.735  5.3584  17.185  4.2185  2.550425       6.819738 
1 1 1 -19 -11 42 o 14.001  3.4951  28.345    15.244    39.073    27.993    23.823    18.175    15.392  5.4405  12.609  4.3892  2.782132       6.990267 
1 1 1 -19 -10 1  o 58.319  1.8964  457.472   29.622    460.122   41.847    454.811   41.936    58.489  2.6711  58.149  2.6925  0.3405876      3.792713 
1 1 1 -19 -10 2  o 84.865  2.1869  970.791   49.639    913.065   70.313    1028.15   70.088    82.333  3.1884  87.397  2.9940  -5.064285      4.373788 
1 1 1 -19 -10 3  o 34.874  1.8401  164.340   17.054    163.417   23.686    165.333   24.574    34.777  2.5608  34.972  2.6430  -0.1946640     3.680126 
1 1 1 -19 -10 4  o 52.436  1.8614  369.922   26.095    360.579   36.591    379.590   37.224    51.728  2.6499  53.145  2.6150  -1.417488      3.722893 
1 1 1 -19 -10 5  o 22.563  2.1067  69.799    12.385    74.377    17.392    65.089    17.640    23.349  2.8393  21.776  3.1130  1.573154       4.213355 
1 1 1 -19 -10 6  o 11.080  2.4734  15.549    8.6490    23.275    12.179    7.6878    12.285    12.923  3.4528  9.2362  3.5424  3.687009       4.946705 
1 1 1 -19 -10 7  o 73.702  2.0444  730.821   40.334    753.300   56.715    707.817   57.373    74.856  2.8287  72.548  2.9525  2.307358       4.088850 
1 1 1 -19 -10 8  o 98.041  2.3477  1294.02   61.651    1293.85   86.934    1294.18   87.442    98.036  3.3107  98.045  3.3297  -0.9315491E-02 4.695481 
1 1 1 -19 -10 9  o 84.484  2.1750  960.152   49.215    949.065   69.365    971.391   69.840    83.992  3.0833  84.976  3.0684  -0.9840469     4.349925 
1 1 1 -19 -10 10 o 116.797 2.5890  1838.69   80.992    1830.26   114.426   1847.15   114.653   116.527 3.6661  117.066 3.6565  -0.5384369     5.177904 
1 1 1 -19 -10 11 o 81.344  2.1112  890.017   45.998    884.766   65.003    895.283   65.100    81.103  2.9923  81.585  2.9791  -0.4821701     4.222445 
1 1 1 -19 -10 12 o 71.732  2.0123  692.023   38.657    680.741   54.826    703.177   54.514    71.147  2.8770  72.317  2.8144  -1.169380      4.024631 
1 1 1 -19 -10 13 o 57.897  2.2900  445.803   33.322    471.465   58.581    433.528   40.515    59.004  3.7258  56.791  2.6635  2.213783       4.579910 
1 1 1 -19 -10 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -10 15 o 64.984  4.0105  572.905   69.465    572.905   69.465    0.0000    0.0000    64.984  4.0105  ?       ?       ?              ?        
1 1 1 -19 -10 16 o 38.058  1.8480  195.641   18.708    197.010   27.052    194.387   25.900    38.180  2.6619  37.936  2.5640  0.2437057      3.695949 
1 1 1 -19 -10 17 o 71.257  2.0403  683.399   38.925    711.184   55.678    656.835   54.440    72.677  2.8602  69.838  2.9103  2.838799       4.080527 
1 1 1 -19 -10 18 o 50.882  1.8688  349.026   25.367    364.129   36.510    334.931   35.272    51.949  2.6325  49.814  2.6531  2.134808       3.737521 
1 1 1 -19 -10 19 o 18.943  2.5828  52.061    12.517    31.233    17.932    71.854    17.481    14.979  4.2645  22.907  2.9151  -7.928316      5.165674 
1 1 1 -19 -10 20 o 34.700  1.9906  163.590   18.314    158.217   26.329    168.626   25.490    34.128  2.9080  35.271  2.7191  -1.142754      3.981202 
1 1 1 -19 -10 21 o 94.850  2.4184  1218.64   61.391    1166.03   87.001    1270.81   86.640    92.785  3.5007  96.914  3.3377  -4.129021      4.836842 
1 1 1 -19 -10 22 o 39.934  1.9735  216.179   20.970    219.880   30.119    212.698   29.213    40.264  2.8104  39.604  2.7713  0.6592140      3.946974 
1 1 1 -19 -10 23 o 55.093  2.0119  411.029   29.583    421.225   42.262    401.233   41.424    55.766  2.8388  54.420  2.8517  1.345528       4.023809 
1 1 1 -19 -10 24 f 45.878  2.0362  285.578   24.880    290.412   35.902    281.111   34.512    46.246  2.9133  45.510  2.8455  0.7351036      4.072330 
1 1 1 -19 -10 25 o 67.392  2.1372  615.340   38.537    653.230   54.901    578.538   54.106    69.455  2.9511  65.328  3.0921  4.126450       4.274371 
1 1 1 -19 -10 26 o 68.205  2.1984  631.123   40.157    643.913   57.268    618.750   56.325    68.887  3.1038  67.524  3.1142  1.362404       4.396795 
1 1 1 -19 -10 27 o 20.070  2.9645  57.913    15.476    73.430    21.891    42.407    21.882    22.913  3.6923  17.226  4.6391  5.686913       5.929098 
1 1 1 -19 -10 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -10 29 o 19.905  3.8683  53.983    19.307    49.803    22.403    66.051    38.065    18.585  4.5395  21.224  6.2648  -2.639563      7.736624 
1 1 1 -19 -10 30 o 49.777  2.2289  340.336   29.500    362.361   41.511    317.861   41.932    51.459  3.0250  48.096  3.2745  3.363331       4.457879 
1 1 1 -19 -10 31 o 17.330  3.2223  44.152    15.925    60.673    21.882    25.550    23.220    20.559  4.1173  14.100  4.9580  6.458111       6.444701 
1 1 1 -19 -10 32 o 42.626  2.3933  251.991   27.097    253.530   38.108    250.418   38.536    42.772  3.3532  42.481  3.4156  0.2913399      4.786534 
1 1 1 -19 -10 33 o 36.806  2.1540  182.921   20.546    208.653   33.639    167.610   25.948    38.741  3.2724  34.872  2.8018  3.868847       4.307960 
1 1 1 -19 -10 34 o 23.073  2.7021  74.789    15.607    83.060    26.004    70.133    19.511    23.907  4.2151  22.238  3.3822  1.668600       5.404222 
1 1 1 -19 -10 35 o 31.720  2.3690  139.186   19.092    151.997   32.072    132.155   23.761    32.649  3.7347  30.791  2.9158  1.858082       4.738088 
1 1 1 -19 -10 36 o 13.610  2.9733  16.766    11.895    51.454    23.297    4.5347    13.834    18.395  4.7084  8.8245  3.6323  9.570803       5.946678 
1 1 1 -19 -10 37 o 11.976  2.8422  18.109    12.967    -11.4459  22.180    33.455    15.983    8.9662  4.1046  14.986  3.9324  -6.019670      5.684316 
1 1 1 -19 -10 38 o 28.228  4.5318  119.974   33.105    119.974   33.105    0.0000    0.0000    28.228  4.5318  ?       ?       ?              ?        
1 1 1 -19 -10 39 o 19.860  3.1219  55.809    15.451    76.536    27.309    46.050    18.739    22.264  4.7257  17.457  4.0808  4.806677       6.243786 
1 1 1 -19 -10 40 o 23.722  3.2527  97.591    18.482    57.601    31.857    117.878   22.691    18.660  5.7794  28.785  2.9864  -10.12572      6.505382 
1 1 1 -19 -10 41 o 14.947  3.3570  36.327    15.399    22.195    27.821    42.569    18.489    13.305  5.2646  16.589  4.1668  -3.283755      6.713982 
1 1 1 -19 -10 42 o 35.847  2.6881  191.576   24.095    196.009   40.855    189.212   29.836    35.545  4.3841  36.148  3.1119  -0.6023903     5.376247 
1 1 1 -19 -9  1  o 54.209  1.8528  394.905   26.903    396.399   38.053    393.411   38.040    54.312  2.6158  54.106  2.6249  0.2057724      3.705700 
1 1 1 -19 -9  2  o 22.139  2.0788  67.029    12.020    65.862    16.785    68.258    17.220    21.940  2.9294  22.339  2.9502  -0.3986626     4.157572 
1 1 1 -19 -9  3  o 11.764  2.2318  18.158    8.6243    -0.5422   12.791    33.746    11.678    7.9313  3.3912  15.596  2.9024  -7.664851      4.463606 
1 1 1 -19 -9  4  o 110.463 2.4794  1643.31   73.333    1596.57   103.861   1689.77   103.558   108.887 3.5611  112.038 3.4509  -3.151703      4.958841 
1 1 1 -19 -9  5  o 146.022 3.0706  2878.20   120.095   2884.67   170.169   2871.77   169.512   146.185 4.3460  145.860 4.3389  0.3252716      6.141114 
1 1 1 -19 -9  6  o 60.793  1.9083  496.510   31.066    500.333   43.549    492.550   44.329    61.033  2.6639  60.552  2.7332  0.4812431      3.816637 
1 1 1 -19 -9  7  o 55.083  1.8745  407.619   27.648    413.105   38.787    401.952   39.421    55.463  2.6110  54.704  2.6904  0.7584381      3.749061 
1 1 1 -19 -9  8  o 12.080  2.6176  19.531    9.2748    21.835    13.541    17.494    12.730    12.643  3.7378  11.517  3.6656  1.126549       5.235288 
1 1 1 -19 -9  9  o 79.891  2.1057  858.133   45.039    887.533   63.675    828.696   63.714    81.266  2.9253  78.516  3.0296  2.749733       4.211401 
1 1 1 -19 -9  10 f 48.153  1.8317  312.328   23.525    325.113   33.388    299.723   33.152    49.139  2.5454  47.167  2.6347  1.972473       3.663430 
1 1 1 -19 -9  11 o 72.287  2.0175  702.262   39.042    732.039   55.455    672.998   54.975    73.810  2.8050  70.763  2.9005  3.047180       4.034934 
1 1 1 -19 -9  12 o 72.148  2.0094  699.472   38.827    710.632   55.294    688.616   54.535    72.716  2.8389  71.581  2.8444  1.135742       4.018703 
1 1 1 -19 -9  13 o 58.175  1.8789  454.904   29.260    447.095   41.869    462.358   40.908    57.683  2.7099  58.667  2.6033  -0.9838715     3.757743 
1 1 1 -19 -9  14 o 70.495  2.0094  668.483   37.919    652.054   54.105    684.343   53.159    69.638  2.9007  71.352  2.7815  -1.714859      4.018801 
1 1 1 -19 -9  15 o 38.060  1.8650  195.518   18.881    197.791   27.314    193.438   26.129    38.268  2.6817  37.853  2.5927  0.4149857      3.730076 
1 1 1 -19 -9  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -9  17 o 57.174  2.4491  423.177   34.526    394.559   40.989    493.082   64.062    54.078  2.8397  60.271  3.9909  -6.192612      4.898101 
1 1 1 -19 -9  18 o 82.848  2.1680  924.742   48.104    921.646   68.460    927.761   67.608    82.707  3.0903  82.989  3.0415  -0.2817535     4.336003 
1 1 1 -19 -9  19 f 31.523  2.0874  137.522   16.983    107.439   24.392    165.824   23.659    28.027  3.3135  35.019  2.5397  -6.992340      4.174788 
1 1 1 -19 -9  20 o 24.872  2.2306  85.076    14.463    79.560    20.869    90.174    20.063    24.049  3.3289  25.694  2.9700  -1.644825      4.461257 
1 1 1 -19 -9  21 o 63.832  2.0454  550.366   34.914    519.289   49.702    580.641   49.056    62.035  2.9912  65.630  2.7906  -3.594280      4.090827 
1 1 1 -19 -9  22 o 91.635  2.3344  1135.95   57.293    1151.45   81.307    1120.66   80.745    92.259  3.2903  91.011  3.3123  1.248383       4.668761 
1 1 1 -19 -9  23 o 56.444  2.0471  431.385   30.853    414.125   43.994    448.091   43.281    55.277  2.9824  57.611  2.8048  -2.333542      4.094110 
1 1 1 -19 -9  24 o 62.781  2.1106  533.196   35.482    531.027   50.687    535.280   49.686    62.648  3.0206  62.914  2.9485  -0.2654648     4.221106 
1 1 1 -19 -9  25 o 57.348  2.0960  446.007   32.072    463.569   46.020    429.422   44.722    58.451  2.9490  56.244  2.9792  2.206966       4.191906 
1 1 1 -19 -9  26 o 39.300  2.2049  211.139   22.893    237.371   32.629    185.710   32.127    41.764  2.9355  36.836  3.2908  4.928371       4.409866 
1 1 1 -19 -9  27 o 65.217  2.1974  577.472   38.379    591.821   54.460    563.317   54.093    66.030  3.0793  64.405  3.1357  1.625626       4.394819 
1 1 1 -19 -9  28 o 8.5531  2.6478  -3.3257   11.462    -4.4198   15.221    -1.8927   17.419    8.0873  3.5740  9.0189  3.9076  -0.9315968     5.295502 
1 1 1 -19 -9  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -9  30 o 15.805  3.3003  35.704    15.152    42.229    20.587    27.992    22.382    17.117  4.4493  14.492  4.8755  2.625061       6.600562 
1 1 1 -19 -9  31 o 32.280  2.1495  136.037   17.819    190.111   29.081    103.526   22.549    37.217  2.9412  27.344  3.1354  9.872934       4.299014 
1 1 1 -19 -9  32 o 60.107  2.1414  495.818   33.953    493.911   52.277    497.210   44.653    59.853  3.2732  60.361  2.7619  -0.5073776     4.282776 
1 1 1 -19 -9  33 o 10.047  2.6678  -0.0347   9.8061    27.039    19.116    -9.7037   11.424    13.920  4.4985  6.1754  2.8690  7.744209       5.335526 
1 1 1 -19 -9  34 o 14.646  2.9067  26.385    11.990    49.589    20.649    14.582    14.727    18.366  4.2773  10.926  3.9371  7.439968       5.813454 
1 1 1 -19 -9  35 o 8.9164  2.6394  2.7165    9.8986    6.6660    17.706    0.9209    11.939    10.081  4.1247  7.7515  3.2943  2.329711       5.278791 
1 1 1 -19 -9  36 o 49.490  2.1889  336.530   28.355    374.109   45.388    312.476   36.313    51.580  3.3026  47.401  2.8737  4.178871       4.377870 
1 1 1 -19 -9  37 o 35.274  2.4256  179.221   21.622    169.364   35.431    185.070   27.293    34.150  3.9461  36.398  2.8216  -2.247383      4.851125 
1 1 1 -19 -9  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -9  39 o 23.590  3.1287  90.311    17.814    65.515    29.940    103.900   22.164    20.184  5.4225  26.996  3.1229  -6.812096      6.257498 
1 1 1 -19 -9  40 o 8.8917  2.8076  -3.0433   12.835    -6.4569   22.982    -1.4959   15.473    9.4975  4.2802  8.2860  3.6347  1.211583       5.615274 
1 1 1 -19 -9  41 o 24.830  3.0499  87.364    18.582    118.841   33.219    73.028    22.418    27.656  4.6494  22.005  3.9485  5.650425       6.099823 
1 1 1 -19 -9  42 o 19.959  3.3834  66.696    17.048    57.774    30.883    70.606    20.444    18.248  5.6967  21.671  3.6520  -3.422844      6.766803 
1 1 1 -19 -8  1  o 136.518 2.8800  2514.58   105.252   2427.10   149.232   2601.16   148.468   134.136 4.1536  138.901 3.9906  -4.765121      5.759998 
1 1 1 -19 -8  2  f 95.096  2.3081  1216.27   58.789    1210.33   83.225    1222.19   83.056    94.863  3.2755  95.329  3.2528  -0.4661865     4.616212 
1 1 1 -19 -8  3  o 147.331 3.0934  2928.55   122.063   2893.35   172.992   2963.45   172.257   146.440 4.4104  148.221 4.3389  -1.781067      6.186871 
1 1 1 -19 -8  4  o 98.087  2.3617  1293.83   62.046    1288.17   87.811    1299.47   87.683    97.872  3.3497  98.302  3.3302  -0.4305954     4.723371 
1 1 1 -19 -8  5  o 100.342 2.3565  1353.99   63.324    1325.85   89.592    1382.09   89.517    99.296  3.3686  101.389 3.2963  -2.093002      4.713065 
1 1 1 -19 -8  6  o 61.877  1.9172  514.377   31.757    528.778   44.638    499.617   45.189    62.757  2.6555  60.996  2.7660  1.761448       3.834376 
1 1 1 -19 -8  7  o 107.555 2.4606  1556.03   70.873    1519.11   100.177   1593.03   100.283   106.273 3.5193  108.838 3.4400  -2.565346      4.921301 
1 1 1 -19 -8  8  o 22.995  2.1769  73.037    12.759    90.894    18.229    55.886    17.865    25.883  2.6676  20.107  3.4409  5.776091       4.353839 
1 1 1 -19 -8  9  o 35.468  1.8061  169.725   17.043    171.387   24.216    168.093   23.990    35.641  2.5536  35.295  2.5549  0.3459473      3.612249 
1 1 1 -19 -8  10 o 43.360  1.8081  253.243   20.900    260.630   29.687    245.984   29.430    43.991  2.5301  42.728  2.5837  1.263390       3.616195 
1 1 1 -19 -8  11 o 54.257  1.8373  395.067   26.693    408.471   38.161    382.226   37.352    55.159  2.5829  53.356  2.6136  1.803020       3.674557 
1 1 1 -19 -8  12 o 59.853  1.8748  481.451   30.029    468.621   43.006    493.659   41.949    59.070  2.7181  60.636  2.5829  -1.565792      3.749626 
1 1 1 -19 -8  13 o 57.329  1.8552  441.181   28.480    455.197   40.714    427.754   39.853    58.221  2.6108  56.437  2.6363  1.783806       3.710359 
1 1 1 -19 -8  14 o 61.896  1.9153  514.299   31.736    538.721   45.494    491.149   44.293    63.328  2.6820  60.464  2.7349  2.864357       3.830576 
1 1 1 -19 -8  15 o 70.151  2.0078  661.243   37.721    674.889   53.887    648.132   52.820    70.860  2.8392  69.441  2.8398  1.418907       4.015654 
1 1 1 -19 -8  16 o 36.540  1.9624  181.685   18.921    161.545   27.219    200.517   26.320    34.532  2.9718  38.549  2.5637  -4.017342      3.924789 
1 1 1 -19 -8  17 o 77.169  3.9003  805.851   80.357    0.0000    0.0000    805.851   80.357    ?       ?       77.169  3.9003  ?              ?        
1 1 1 -19 -8  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -8  19 o 100.056 2.4620  1351.94   65.922    1291.81   93.507    1411.35   92.950    97.823  3.5687  102.288 3.3926  -4.465065      4.923997 
1 1 1 -19 -8  20 o 97.257  2.4470  1278.38   63.678    1216.22   90.276    1339.94   89.835    94.880  3.5523  99.633  3.3663  -4.753281      4.893916 
1 1 1 -19 -8  21 o 114.122 2.6778  1763.67   81.854    1756.22   115.845   1771.08   115.672   113.878 3.7980  114.366 3.7761  -0.4879837     5.355697 
1 1 1 -19 -8  22 f 29.628  2.1907  121.061   16.906    104.480   24.477    136.186   23.378    27.594  3.3826  31.662  2.7849  -4.068161      4.381487 
1 1 1 -19 -8  23 o 17.044  2.8049  41.081    12.774    28.734    17.857    54.023    18.281    14.424  4.2989  19.663  3.6039  -5.238819      5.609712 
1 1 1 -19 -8  24 o 16.006  2.9312  36.227    12.669    35.181    17.790    37.304    18.046    15.779  4.1528  16.234  4.1379  -0.4547396     5.862456 
1 1 1 -19 -8  25 o 48.666  2.0905  322.351   27.040    297.381   38.468    346.738   38.017    46.762  3.0887  50.571  2.8179  -3.808655      4.180974 
1 1 1 -19 -8  26 o 24.230  2.5519  81.825    16.002    87.214    22.331    76.137    22.941    25.114  3.4078  23.345  3.7996  1.769211       5.103879 
1 1 1 -19 -8  27 o 64.709  2.1947  568.524   38.019    586.448   53.570    550.334   53.967    65.754  3.0417  63.664  3.1648  2.090042       4.389494 
1 1 1 -19 -8  28 o 50.920  2.4825  349.048   32.788    329.012   41.421    382.670   53.658    49.096  3.1667  52.744  3.8241  -3.647881      4.965041 
1 1 1 -19 -8  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -8  30 o 15.157  2.4884  37.353    11.991    -3.6681   20.135    59.896    14.927    9.4833  4.1534  20.830  2.7419  -11.34711      4.976853 
1 1 1 -19 -8  31 o 29.482  2.1998  114.574   16.691    152.620   27.113    91.353    21.181    33.293  3.0751  25.670  3.1464  7.622652       4.399585 
1 1 1 -19 -8  32 o 36.655  2.1219  179.546   20.242    212.877   32.840    159.125   25.705    39.284  3.1474  34.026  2.8466  5.258091       4.243729 
1 1 1 -19 -8  33 o 21.698  2.7263  66.907    14.833    69.080    24.229    65.604    18.760    21.828  4.2971  21.568  3.3565  0.2594452      5.452627 
1 1 1 -19 -8  34 o 31.579  2.6419  152.603   19.697    102.807   31.538    184.447   25.221    26.518  4.6074  36.639  2.5866  -10.12046      5.283792 
1 1 1 -19 -8  35 o 64.889  2.2181  582.096   38.081    603.673   58.596    566.319   50.105    65.740  3.3387  64.039  2.9211  1.701416       4.436212 
1 1 1 -19 -8  36 o 45.666  2.2928  296.319   26.988    276.638   42.893    309.215   34.723    44.100  3.6645  47.232  2.7566  -3.132332      4.585544 
1 1 1 -19 -8  37 o 18.389  3.2334  52.669    15.471    45.711    26.388    56.313    19.097    17.192  5.2491  19.585  3.7772  -2.392834      6.466885 
1 1 1 -19 -8  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -8  39 o 13.246  3.2303  25.495    13.912    16.918    24.241    29.708    16.988    12.425  4.9148  14.067  4.1932  -1.642450      6.460557 
1 1 1 -19 -8  40 o 30.435  2.7571  138.718   20.356    129.156   34.912    143.644   25.056    29.050  4.6431  31.821  2.9743  -2.770414      5.514109 
1 1 1 -19 -8  41 o 28.146  2.9808  119.766   20.328    120.197   35.364    119.553   24.842    27.562  4.9733  28.731  3.2874  -1.168558      5.961540 
1 1 1 -19 -8  42 o 12.061  3.2740  13.992    13.531    34.315    26.461    6.7965    15.745    14.727  5.2805  9.3954  3.8721  5.331209       6.548059 
1 1 1 -19 -7  1  o 17.001  2.2872  40.143    10.033    38.680    14.155    41.620    14.223    16.675  3.2862  17.327  3.1820  -0.6522770     4.574327 
1 1 1 -19 -7  2  o 190.896 3.8374  4930.65   196.168   4821.78   277.822   5038.89   277.027   188.770 5.4947  193.021 5.3583  -4.251770      7.674843 
1 1 1 -19 -7  3  o 23.690  1.9984  76.478    12.250    61.986    16.927    92.417    17.752    21.265  3.0598  26.115  2.5712  -4.850067      3.996714 
1 1 1 -19 -7  4  o 122.118 2.6510  2006.22   86.709    1989.85   122.820   2022.49   122.430   121.618 3.7704  122.618 3.7277  -0.9994202     5.302041 
1 1 1 -19 -7  5  o 132.090 2.7968  2348.06   98.950    2355.39   140.086   2340.76   139.787   132.296 3.9533  131.884 3.9572  0.4121399      5.593549 
1 1 1 -19 -7  6  o 22.298  1.9945  67.841    11.635    64.768    16.438    70.927    16.470    21.774  2.8900  22.823  2.7496  -1.048882      3.989005 
1 1 1 -19 -7  7  f 96.825  2.3286  1259.94   60.365    1304.50   85.524    1215.69   85.215    98.536  3.2404  95.113  3.3449  3.423515       4.657145 
1 1 1 -19 -7  8  o 267.942 5.1182  9769.57   367.324   9788.17   519.707   9750.99   519.242   268.199 7.2346  267.685 7.2420  0.5142822      10.23647 
1 1 1 -19 -7  9  o 108.665 2.4755  1587.95   72.024    1540.20   102.025   1635.38   101.689   107.030 3.5589  110.301 3.4420  -3.271271      4.951024 
1 1 1 -19 -7  10 o 38.956  1.8184  205.853   18.725    180.908   26.800    229.649   26.175    36.606  2.7534  41.305  2.3759  -4.698055      3.636807 
1 1 1 -19 -7  11 o 151.513 3.1131  3093.91   126.336   3122.76   179.202   3065.40   178.136   152.217 4.3953  150.809 4.4100  1.407745       6.226282 
1 1 1 -19 -7  12 o 69.785  1.9344  653.690   36.152    670.174   51.582    637.777   50.682    70.650  2.7258  68.920  2.7455  1.730080       3.868829 
1 1 1 -19 -7  13 o 72.879  2.0056  713.104   39.140    734.500   55.926    692.564   54.797    73.951  2.8234  71.807  2.8491  2.143967       4.011116 
1 1 1 -19 -7  14 o 100.242 2.3613  1351.46   63.397    1350.42   90.070    1352.47   89.250    100.202 3.3559  100.283 3.3227  -0.8042145E-01 4.722572 
1 1 1 -19 -7  15 o 109.479 2.4911  1613.28   73.046    1608.43   103.693   1618.04   102.917   109.313 3.5415  109.645 3.5044  -0.3318405     4.982248 
1 1 1 -19 -7  16 o 82.200  2.1359  908.315   47.016    937.219   66.984    880.248   66.008    83.492  2.9953  80.909  3.0459  2.582756       4.271896 
1 1 1 -19 -7  17 o 82.562  2.1976  917.325   48.583    901.816   69.173    932.423   68.249    81.867  3.1546  83.256  3.0605  -1.389122      4.395223 
1 1 1 -19 -7  18 o 81.307  4.0208  892.775   87.564    0.0000    0.0000    892.775   87.564    ?       ?       81.307  4.0208  ?              ?        
1 1 1 -19 -7  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -7  20 o 50.433  1.9758  342.994   26.569    360.281   38.258    326.890   36.925    51.666  2.7747  49.201  2.8136  2.465034       3.951637 
1 1 1 -19 -7  21 o 108.423 2.5807  1589.51   74.933    1629.68   106.258   1549.77   105.686   109.796 3.6132  107.050 3.6859  2.745941       5.161458 
1 1 1 -19 -7  22 o 53.827  2.0558  391.500   29.514    409.278   42.349    374.711   41.155    55.022  2.8836  52.632  2.9310  2.389889       4.111662 
1 1 1 -19 -7  23 f 35.149  2.1084  167.910   19.658    170.387   28.175    165.562   27.440    35.400  2.9998  34.898  2.9636  0.5020905      4.216823 
1 1 1 -19 -7  24 o 42.659  2.0584  246.943   23.379    246.639   33.060    247.247   33.066    42.633  2.9126  42.686  2.9094  -0.5326080E-01 4.116772 
1 1 1 -19 -7  25 o 12.097  2.9133  18.293    11.536    23.582    15.712    12.109    16.990    13.149  4.0565  11.045  4.1826  2.103966       5.826619 
1 1 1 -19 -7  26 o 57.354  1.9777  442.022   30.173    468.085   45.923    422.222   40.026    58.809  2.9154  55.900  2.6732  2.908535       3.955476 
1 1 1 -19 -7  27 o 47.474  2.0357  310.612   25.241    280.812   38.613    332.846   33.353    45.370  3.1980  49.578  2.5199  -4.208241      4.071484 
1 1 1 -19 -7  28 o 35.568  2.0915  176.999   19.021    153.934   29.940    192.610   24.631    33.458  3.3876  37.678  2.4540  -4.220615      4.183068 
1 1 1 -19 -7  29 o 50.786  2.0439  351.989   27.274    346.513   42.159    355.931   35.767    50.369  3.1406  51.202  2.6167  -0.8336067     4.087864 
1 1 1 -19 -7  30 o 40.452  3.2466  224.714   34.881    224.714   34.881    0.0000    0.0000    40.452  3.2466  ?       ?       ?              ?        
1 1 1 -19 -7  31 o 52.628  2.0276  367.906   27.972    483.584   43.309    285.110   36.640    59.638  2.7112  45.618  3.0157  14.02013       4.055205 
1 1 1 -19 -7  32 o 40.685  2.1159  227.584   22.497    227.088   35.155    227.927   29.277    40.549  3.2645  40.821  2.6928  -0.2723618     4.231832 
1 1 1 -19 -7  33 o 8.0551  2.3112  -2.4713   9.5856    -31.5576  16.473    12.419    11.787    6.0847  2.9821  10.026  3.5317  -3.940886      4.622342 
1 1 1 -19 -7  34 o 55.286  2.2518  432.160   32.279    374.613   49.700    474.144   42.451    51.735  3.6092  58.838  2.6937  -7.102661      4.503613 
1 1 1 -19 -7  35 o 40.706  2.2883  237.672   23.716    204.894   37.540    259.445   30.596    38.016  3.7350  43.396  2.6448  -5.380539      4.576571 
1 1 1 -19 -7  36 o 19.339  2.8646  49.621    13.993    80.750    24.207    34.001    17.148    23.530  3.9830  15.147  4.1182  8.382672       5.729160 
1 1 1 -19 -7  37 o 29.101  2.4904  116.149   18.535    146.316   30.707    98.859    23.247    31.903  3.6597  26.298  3.3785  5.604877       4.980724 
1 1 1 -19 -7  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -7  39 o 14.100  3.2201  20.636    14.156    54.032    25.657    6.0205    16.974    18.508  5.0398  9.6919  4.0097  8.815952       6.440251 
1 1 1 -19 -7  40 o 43.009  2.3850  258.088   26.454    296.490   44.025    236.386   33.096    45.194  3.6686  40.823  3.0487  4.370522       4.770019 
1 1 1 -19 -7  41 o 21.896  3.3169  76.117    17.854    72.643    31.457    77.768    21.686    20.890  5.5338  22.902  3.6583  -2.012310      6.633733 
1 1 1 -19 -7  42 o 31.558  2.7510  143.382   21.861    175.572   37.678    127.047   26.840    33.792  4.2572  29.324  3.4855  4.468510       5.502038 
1 1 1 -19 -6  1  o 73.643  2.0182  728.131   39.808    722.209   56.175    734.107   56.421    73.342  2.8596  73.944  2.8487  -0.6023712     4.036371 
1 1 1 -19 -6  2  o 108.409 2.4664  1579.93   71.601    1542.00   101.357   1617.72   101.161   107.105 3.5331  109.713 3.4424  -2.608444      4.932878 
1 1 1 -19 -6  3  o 96.481  2.2663  1250.42   58.558    1276.73   82.865    1224.18   82.762    97.498  3.1731  95.464  3.2367  2.033440       4.532659 
1 1 1 -19 -6  4  o 142.785 2.9816  2743.94   114.030   2752.13   161.546   2735.82   160.981   142.997 4.2177  142.573 4.2155  0.4239349      5.963196 
1 1 1 -19 -6  5  o 111.174 2.4997  1661.07   74.431    1641.74   105.439   1680.27   105.083   110.527 3.5616  111.822 3.5085  -1.295174      4.999454 
1 1 1 -19 -6  6  f 59.669  1.8837  477.727   30.104    483.748   42.686    471.769   42.461    60.043  2.6542  59.294  2.6735  0.7489433      3.767305 
1 1 1 -19 -6  7  o 166.792 3.3629  3748.88   150.200   3852.56   212.893   3646.14   211.940   169.100 4.7003  164.484 4.8106  4.615936       6.725705 
1 1 1 -19 -6  8  o 92.370  2.2377  1145.88   55.359    1136.27   78.551    1155.37   78.029    91.983  3.1883  92.757  3.1407  -0.7736053     4.475375 
1 1 1 -19 -6  9  f 112.300 2.5061  1695.27   75.364    1661.08   106.962   1728.96   106.203   111.170 3.5921  113.429 3.4956  -2.259567      5.012249 
1 1 1 -19 -6  10 o 89.670  2.1931  1079.63   52.665    1108.14   74.962    1051.85   74.006    90.841  3.0809  88.500  3.1220  2.340546       4.386197 
1 1 1 -19 -6  11 o 120.134 2.6157  1940.62   84.165    1942.69   119.362   1938.58   118.696   120.197 3.7075  120.072 3.6907  0.1250381      5.231333 
1 1 1 -19 -6  12 o 73.007  2.0024  716.763   39.085    673.702   55.637    758.723   54.920    70.832  2.9326  75.182  2.7273  -4.350174      4.004747 
1 1 1 -19 -6  13 o 180.802 3.6285  4415.98   175.699   4342.92   248.689   4488.80   248.264   179.295 5.1784  182.310 5.0841  -3.015121      7.257021 
1 1 1 -19 -6  14 o 142.867 2.9950  2750.52   114.607   2765.07   162.419   2736.10   161.740   143.244 4.2332  142.490 4.2378  0.7532043      5.989944 
1 1 1 -19 -6  15 o 83.573  2.1747  938.510   48.677    954.929   69.342    922.558   68.347    84.294  3.0713  82.852  3.0798  1.441803       4.349481 
1 1 1 -19 -6  16 o 60.902  1.9602  498.645   31.944    488.301   45.926    508.339   44.461    60.285  2.8442  61.520  2.6982  -1.234486      3.920426 
1 1 1 -19 -6  17 o 102.564 2.4747  1417.15   67.943    1367.26   96.438    1466.31   95.737    100.759 3.5733  104.369 3.4247  -3.609726      4.949461 
1 1 1 -19 -6  18 o 57.184  1.9775  439.738   30.222    460.248   43.418    420.462   42.093    58.515  2.7702  55.854  2.8228  2.660717       3.955028 
1 1 1 -19 -6  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -6  20 o 49.678  2.7986  349.405   32.681    367.836   38.861    304.879   60.403    52.213  2.7888  47.143  4.8529  5.070232       5.597165 
1 1 1 -19 -6  21 o 87.153  2.3077  1024.94   53.825    1075.74   76.299    974.613   75.942    89.317  3.1893  84.988  3.3361  4.329361       4.615303 
1 1 1 -19 -6  22 o 22.636  2.4293  70.783    14.261    68.870    20.184    72.691    20.153    22.313  3.4917  22.958  3.3783  -0.6453323     4.858527 
1 1 1 -19 -6  23 o 59.373  2.0936  476.604   33.204    498.410   46.927    454.742   46.988    60.785  2.8823  57.960  3.0372  2.824192       4.187177 
1 1 1 -19 -6  24 o 71.796  2.1219  701.928   40.407    648.234   60.053    746.349   54.621    69.215  3.2392  74.377  2.7418  -5.161690      4.243828 
1 1 1 -19 -6  25 o 57.076  2.0013  442.814   30.210    425.162   45.609    456.611   40.324    55.976  3.0536  58.176  2.5878  -2.200241      4.002643 
1 1 1 -19 -6  26 o 97.353  2.3882  1283.67   62.163    1341.05   91.277    1234.04   84.894    99.355  3.4299  95.350  3.3240  4.005127       4.776338 
1 1 1 -19 -6  27 o 33.929  2.0115  153.043   17.873    182.944   28.150    132.847   23.135    36.646  2.8915  31.212  2.7970  5.433979       4.022913 
1 1 1 -19 -6  28 o 28.125  2.3112  113.431   16.141    91.282    25.553    128.137   20.821    25.567  3.8509  30.683  2.5568  -5.116011      4.622415 
1 1 1 -19 -6  29 o 66.404  2.0923  593.800   37.027    649.969   55.893    549.869   49.430    69.160  3.0172  63.647  2.8995  5.512924       4.184579 
1 1 1 -19 -6  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -6  31 o 36.473  2.0985  180.001   20.048    197.306   31.550    168.281   25.964    37.882  3.1376  35.065  2.7875  2.816994       4.196990 
1 1 1 -19 -6  32 o 41.837  2.0672  237.343   22.763    258.835   35.460    222.281   29.686    43.384  3.0714  40.290  2.7676  3.093998       4.134391 
1 1 1 -19 -6  33 f 13.944  3.0732  27.756    12.635    22.777    20.875    30.635    15.873    13.314  4.6990  14.574  3.9621  -1.259890      6.146477 
1 1 1 -19 -6  34 o 25.754  2.5239  93.052    16.441    97.201    26.840    90.560    20.799    26.057  3.9712  25.451  3.1162  0.6065674      5.047846 
1 1 1 -19 -6  35 o 58.069  2.2513  472.487   34.298    445.995   52.733    491.911   45.153    56.380  3.5093  59.758  2.8210  -3.377823      4.502595 
1 1 1 -19 -6  36 o 43.424  2.2585  263.046   25.549    271.361   40.610    257.598   32.870    43.803  3.4903  43.044  2.8674  0.7590446      4.517069 
1 1 1 -19 -6  37 f 16.994  3.1750  40.958    13.934    53.700    24.764    35.055    16.855    18.664  4.8937  15.324  4.0465  3.339117       6.350043 
1 1 1 -19 -6  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -6  39 o 15.364  3.2331  29.279    13.765    57.660    25.657    17.807    16.312    19.151  4.9617  11.578  4.1465  7.573095       6.466222 
1 1 1 -19 -6  40 f 32.796  2.6683  157.792   21.666    156.143   36.909    158.658   26.761    32.173  4.3983  33.420  3.0223  -1.247505      5.336613 
1 1 1 -19 -6  41 o 13.256  3.1538  10.974    14.005    56.222    26.726    -6.1547   16.444    18.556  5.1796  7.9551  3.5995  10.60129       6.307508 
1 1 1 -19 -6  42 o 9.0295  2.8554  -2.9320   12.526    3.8080    24.248    -5.3853   14.629    10.558  4.5924  7.5011  3.3945  3.056852       5.710751 
1 1 1 -19 -5  1  o 36.661  1.7580  181.055   17.100    161.792   23.809    201.579   24.576    34.630  2.5855  38.693  2.3829  -4.063560      3.516077 
1 1 1 -19 -5  2  f 97.091  2.3151  1266.65   60.164    1211.25   85.063    1322.10   85.107    94.960  3.3443  99.223  3.2023  -4.262505      4.630291 
1 1 1 -19 -5  3  o 143.783 3.0263  2782.23   116.528   2728.83   165.012   2835.34   164.579   142.399 4.3263  145.166 4.2327  -2.767410      6.052532 
1 1 1 -19 -5  4  o 73.484  2.0010  724.702   39.376    744.551   55.810    705.030   55.562    74.488  2.7973  72.481  2.8620  2.007217       4.001973 
1 1 1 -19 -5  5  o 129.488 2.8064  2256.36   97.232    2147.84   137.934   2363.54   137.084   126.377 4.0749  132.599 3.8597  -6.222206      5.612704 
1 1 1 -19 -5  6  o 59.539  1.8906  476.396   30.094    446.201   42.801    505.918   42.321    57.666  2.7710  61.412  2.5728  -3.745815      3.781297 
1 1 1 -19 -5  7  o 276.463 5.2963  10380.78  392.147   10212.77  554.969   10548.32  554.189   274.195 7.5565  278.731 7.4231  -4.536743      10.59258 
1 1 1 -19 -5  8  o 53.499  1.8128  384.616   25.827    429.165   36.978    342.188   36.087    56.566  2.4406  50.431  2.6812  6.135044       3.625673 
1 1 1 -19 -5  9  f 35.375  1.7601  168.608   16.566    171.682   23.774    165.707   23.096    35.688  2.5029  35.061  2.4753  0.6271019      3.520152 
1 1 1 -19 -5  10 o 100.257 2.3417  1350.30   62.870    1324.59   89.185    1375.69   88.642    99.305  3.3530  101.210 3.2698  -1.904732      4.683419 
1 1 1 -19 -5  11 o 117.290 2.5755  1848.96   80.908    1869.70   114.757   1828.47   114.088   117.945 3.6325  116.635 3.6519  1.309898       5.150908 
1 1 1 -19 -5  12 o 43.270  1.8215  252.309   20.990    247.109   30.235    257.146   29.162    42.831  2.6485  43.709  2.5013  -0.8778000     3.642920 
1 1 1 -19 -5  13 o 166.533 3.3482  3739.21   149.347   3718.62   211.457   3759.70   210.961   166.071 4.7538  166.995 4.7164  -0.9235382     6.696480 
1 1 1 -19 -5  14 o 93.805  2.2856  1182.87   57.404    1154.92   81.631    1210.21   80.738    92.703  3.2875  94.907  3.1761  -2.204185      4.571151 
1 1 1 -19 -5  15 o 27.337  2.1184  103.245   14.947    84.908    21.693    119.819   20.624    24.912  3.3347  29.762  2.6136  -4.849770      4.236854 
1 1 1 -19 -5  16 o 98.878  2.3836  1314.77   63.119    1346.08   89.788    1284.18   88.748    100.044 3.3507  97.711  3.3910  2.332527       4.767189 
1 1 1 -19 -5  17 o 187.680 3.7956  4773.10   190.805   4769.42   269.914   4776.79   269.766   187.606 5.3714  187.753 5.3643  -0.1478729     7.591279 
1 1 1 -19 -5  18 o 38.531  2.0342  200.303   20.812    215.623   30.102    186.274   28.806    39.953  2.8312  37.109  2.9218  2.844311       4.068462 
1 1 1 -19 -5  19 o 90.638  2.3409  1106.30   56.827    1118.54   80.502    1094.14   80.231    91.139  3.2977  90.136  3.3232  1.003616       4.681709 
1 1 1 -19 -5  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -5  21 o 120.021 2.7491  1947.84   88.372    1928.17   124.325   1967.92   125.640   119.409 3.8872  120.633 3.8884  -1.224167      5.498180 
1 1 1 -19 -5  22 o 59.479  1.9691  477.046   31.163    471.661   46.695    481.370   41.846    59.156  2.9470  59.803  2.6124  -0.6464996     3.938240 
1 1 1 -19 -5  23 f 21.799  2.1837  63.514    12.170    75.508    19.624    56.018    15.513    23.431  3.2114  20.168  2.9598  3.262436       4.367374 
1 1 1 -19 -5  24 o 66.184  2.0779  597.781   36.357    544.062   54.020    642.259   49.155    63.350  3.1939  69.017  2.6590  -5.667278      4.155897 
1 1 1 -19 -5  25 f 62.106  1.9922  517.750   33.003    556.310   49.494    486.879   44.285    64.163  2.8799  60.049  2.7534  4.114460       3.984319 
1 1 1 -19 -5  26 o 16.723  2.5919  37.292    11.128    52.056    18.169    28.429    14.077    19.255  3.6566  14.191  3.6744  5.063723       5.183789 
1 1 1 -19 -5  27 f 34.768  2.0077  162.628   18.367    179.632   28.375    150.365   24.097    36.301  2.9437  33.235  2.7311  3.065685       4.015478 
1 1 1 -19 -5  28 o 44.434  1.9834  267.969   23.289    272.224   35.398    264.721   30.924    44.705  2.9732  44.164  2.6260  0.5412140      3.966821 
1 1 1 -19 -5  29 o 68.583  2.1411  639.723   39.092    634.109   58.451    644.266   52.582    68.254  3.1972  68.913  2.8487  -0.6589661     4.282210 
1 1 1 -19 -5  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -5  31 o 50.684  2.0820  349.344   27.835    363.711   42.986    338.970   36.528    51.513  3.1303  49.856  2.7460  1.656639       4.164031 
1 1 1 -19 -5  32 o 21.092  2.6048  61.501    13.865    70.503    22.615    56.080    17.551    22.247  3.9393  19.937  3.4092  2.310703       5.209659 
1 1 1 -19 -5  33 o 23.134  2.8536  83.244    15.947    53.861    25.476    102.176   20.449    19.083  4.9442  27.186  2.8507  -8.103651      5.707123 
1 1 1 -19 -5  34 o 43.074  2.3410  269.034   25.468    209.079   39.401    312.060   33.379    38.454  3.8785  47.695  2.6229  -9.241661      4.682084 
1 1 1 -19 -5  35 o 43.038  2.2442  257.859   25.115    260.390   39.917    256.201   32.312    43.034  3.4932  43.042  2.8183  -0.7282257E-02 4.488345 
1 1 1 -19 -5  36 o 31.130  2.4418  137.705   19.204    137.098   31.705    138.057   24.135    30.818  3.9304  31.441  2.8985  -0.6229401     4.883581 
1 1 1 -19 -5  37 o 12.904  3.0666  24.019    12.591    14.894    22.027    28.447    15.345    11.940  4.6971  13.868  3.9438  -1.927925      6.133185 
1 1 1 -19 -5  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -5  39 o 12.162  3.1508  19.708    13.297    10.833    23.923    23.676    15.996    11.581  4.7728  12.744  4.1147  -1.163238      6.301630 
1 1 1 -19 -5  40 o 23.776  3.1340  83.261    18.321    96.741    31.949    76.656    22.363    24.816  4.9797  22.737  3.8067  2.079096       6.268034 
1 1 1 -19 -5  41 o 18.565  3.4474  49.441    16.630    77.434    29.810    36.794    20.037    21.816  5.1790  15.314  4.5514  6.501809       6.894763 
1 1 1 -19 -5  42 o 12.985  3.3344  21.203    13.741    37.311    26.245    15.120    16.129    15.138  5.2740  10.832  4.0815  4.306269       6.668886 
1 1 1 -19 -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -4  6  o 141.783 5.9460  2714.61   225.805   2714.61   225.805   0.0000    0.0000    141.783 5.9460  ?       ?       ?              ?        
1 1 1 -19 -4  7  o 67.847  1.9292  617.503   35.016    659.196   49.978    577.304   49.074    70.099  2.6618  65.595  2.7931  4.504173       3.858315 
1 1 1 -19 -4  8  o 149.372 3.0574  3001.49   122.312   3057.28   173.255   2946.05   172.697   150.760 4.2905  147.982 4.3570  2.777924       6.114866 
1 1 1 -19 -4  9  o 144.498 2.9482  2808.04   114.105   2812.50   161.582   2803.62   161.156   144.612 4.1716  144.384 4.1671  0.2277832      5.896380 
1 1 1 -19 -4  10 o 159.158 3.2680  3410.47   139.308   3452.22   197.266   3368.92   196.758   160.134 4.5992  158.182 4.6439  1.951920       6.535930 
1 1 1 -19 -4  11 o 124.447 2.7101  2081.82   90.332    2101.86   128.067   2061.99   127.432   125.044 3.8237  123.850 3.8414  1.193993       5.420108 
1 1 1 -19 -4  12 o 47.853  1.8235  307.878   23.277    316.508   33.492    299.813   32.374    48.502  2.5874  47.203  2.5703  1.298805       3.647046 
1 1 1 -19 -4  13 o 164.464 3.3668  3645.72   148.305   3606.89   209.917   3684.41   209.553   163.583 4.7909  165.345 4.7317  -1.761780      6.733635 
1 1 1 -19 -4  14 o 126.013 2.7494  2136.45   92.791    2114.16   131.520   2158.54   130.936   125.354 3.9171  126.671 3.8591  -1.317360      5.498785 
1 1 1 -19 -4  15 o 108.200 2.4666  1574.03   71.468    1621.20   101.525   1527.70   100.623   109.811 3.4517  106.589 3.5245  3.222176       4.933219 
1 1 1 -19 -4  16 o 126.806 2.7910  2165.42   94.795    2184.80   134.302   2146.19   133.820   127.373 3.9366  126.239 3.9577  1.134193       5.582078 
1 1 1 -19 -4  17 o 52.927  2.0144  377.439   28.444    377.336   40.684    377.538   39.784    52.917  2.8813  52.938  2.8159  -0.2153397E-01 4.028764 
1 1 1 -19 -4  18 o 47.016  2.0066  298.123   25.150    300.555   35.783    295.749   35.357    47.206  2.8433  46.827  2.8323  0.3790398      4.013292 
1 1 1 -19 -4  19 o 61.645  1.9284  504.994   31.655    583.078   47.630    443.222   42.364    65.867  2.6998  57.423  2.7544  8.444248       3.856845 
1 1 1 -19 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -4  21 o 24.651  2.0817  80.655    13.260    101.600   20.771    66.246    17.228    27.323  2.8816  21.979  3.0052  5.344728       4.163489 
1 1 1 -19 -4  22 o 91.297  2.2708  1119.50   55.386    1234.89   81.240    1019.28   75.708    95.682  3.1699  86.912  3.2522  8.769943       4.541516 
1 1 1 -19 -4  23 f 29.592  2.1581  125.250   15.914    92.822    24.366    149.374   21.016    25.948  3.6030  33.236  2.3764  -7.287638      4.316127 
1 1 1 -19 -4  24 o 87.382  2.2391  1027.63   52.283    1123.98   76.820    944.485   71.360    91.186  3.1453  83.578  3.1877  7.607880       4.478158 
1 1 1 -19 -4  25 o 42.059  1.9773  242.764   21.776    221.216   33.018    259.352   28.969    40.324  3.0803  43.793  2.4799  -3.469749      3.954516 
1 1 1 -19 -4  26 o 43.020  1.9615  250.874   22.279    253.236   33.904    249.080   29.555    43.162  2.9504  42.878  2.5855  0.2836151      3.922968 
1 1 1 -19 -4  27 o 20.912  2.6449  69.658    13.348    33.786    21.012    93.928    17.283    15.562  4.6690  26.261  2.4866  -10.69904      5.289856 
1 1 1 -19 -4  28 o 48.415  2.0253  319.733   25.855    311.503   39.306    326.009   34.326    47.804  3.0862  49.027  2.6235  -1.222488      4.050630 
1 1 1 -19 -4  29 o 28.908  2.1600  111.093   16.192    138.872   25.796    93.031    20.800    31.823  3.0643  25.994  3.0452  5.828232       4.320043 
1 1 1 -19 -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -4  31 o 21.245  2.6622  64.147    14.102    62.626    23.134    65.046    17.789    20.887  4.2789  21.603  3.1685  -0.7161751     5.324346 
1 1 1 -19 -4  32 o 17.705  2.7623  51.298    13.466    16.675    21.750    72.818    17.148    12.478  4.7306  22.933  2.8533  -10.45518      5.524510 
1 1 1 -19 -4  33 o 14.775  3.0672  31.380    12.571    29.809    21.527    32.192    15.486    14.623  4.7771  14.928  3.8484  -0.3056526     6.134379 
1 1 1 -19 -4  34 o 19.152  2.9617  54.428    14.300    49.859    23.885    56.981    17.853    18.305  4.8092  19.999  3.4580  -1.693998      5.923378 
1 1 1 -19 -4  35 o 14.859  3.0242  33.983    13.105    19.304    22.322    41.705    16.189    12.782  4.8045  16.937  3.6743  -4.154662      6.048456 
1 1 1 -19 -4  36 o 22.685  2.9074  73.639    16.362    82.860    27.833    68.770    20.225    23.534  4.5803  21.836  3.5823  1.697596       5.814786 
1 1 1 -19 -4  37 o 46.756  2.3009  305.789   27.916    322.354   45.176    295.556   35.505    47.525  3.5751  45.987  2.8973  1.538490       4.601741 
1 1 1 -19 -4  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -4  39 o 35.887  2.5640  185.022   23.159    191.045   39.157    181.781   28.721    35.932  4.1445  35.842  3.0199  0.9076691E-01  5.128022 
1 1 1 -19 -4  40 o 27.759  3.0157  113.252   20.521    125.434   35.856    107.319   25.024    28.383  4.8932  27.135  3.5264  1.247160       6.031456 
1 1 1 -19 -4  41 o 9.8444  2.7955  4.7349    13.193    -30.5232  24.149    19.734    15.751    7.9147  3.8156  11.774  4.0867  -3.859501      5.591044 
1 1 1 -19 -4  42 o 22.690  3.2472  76.485    17.832    100.476   32.830    66.444    21.238    24.621  5.1440  20.758  3.9644  3.862724       6.494408 
1 1 1 -19 -3  1  o 135.467 2.8503  2467.40   103.414   2437.67   146.389   2497.01   146.110   134.649 4.0590  136.285 4.0026  -1.636505      5.700541 
1 1 1 -19 -3  2  o 259.176 5.0666  9105.67   351.648   8901.70   497.735   9308.94   496.876   256.240 7.2521  262.112 7.0774  -5.871735      10.13321 
1 1 1 -19 -3  3  f 135.404 2.9338  2468.77   106.221   2319.52   150.943   2615.20   149.505   131.326 4.2912  139.483 4.0017  -8.157867      5.867524 
1 1 1 -19 -3  4  o 91.267  2.2521  1118.53   55.028    1103.35   78.733    1133.01   76.942    90.658  3.2424  91.876  3.1266  -1.218117      4.504256 
1 1 1 -19 -3  5  o 161.894 3.3352  3532.74   144.386   3317.91   205.032   3744.09   203.363   156.977 4.8764  166.812 4.5515  -9.834991      6.670487 
1 1 1 -19 -3  6  o 198.854 3.9340  5335.56   209.386   5114.13   296.431   5556.06   295.804   194.703 5.6841  203.004 5.4402  -8.300293      7.867913 
1 1 1 -19 -3  7  o 122.988 3.7251  2037.44   122.583   2170.10   175.488   1911.02   171.306   126.911 5.1625  119.065 5.3715  7.846001       7.450149 
1 1 1 -19 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -3  9  o 58.566  2.6360  492.712   36.196    534.556   43.278    395.312   66.029    63.130  2.5595  54.003  4.6090  9.127289       5.271992 
1 1 1 -19 -3  10 o 24.030  1.9413  79.141    12.147    70.836    17.701    86.534    16.700    22.783  2.9713  25.278  2.4993  -2.494503      3.882677 
1 1 1 -19 -3  11 o 72.612  1.9910  707.335   38.718    719.589   55.240    695.502   54.284    73.230  2.8163  71.994  2.8150  1.235985       3.981944 
1 1 1 -19 -3  12 o 131.529 2.8203  2326.50   99.332    2398.50   140.838   2255.24   140.117   133.561 3.9369  129.497 4.0396  4.063660       5.640701 
1 1 1 -19 -3  13 o 191.781 3.8356  4965.10   197.012   4896.37   278.670   5033.77   278.564   190.443 5.4631  193.119 5.3853  -2.675339      7.671148 
1 1 1 -19 -3  14 o 48.119  1.8917  311.176   24.222    343.254   34.991    281.660   33.564    50.511  2.5951  45.728  2.7532  4.783684       3.783478 
1 1 1 -19 -3  15 o 48.749  1.9237  319.818   25.008    325.765   35.994    314.268   34.770    49.186  2.7431  48.312  2.6977  0.8740044      3.847339 
1 1 1 -19 -3  16 o 65.430  1.9364  568.600   33.719    666.076   50.516    490.271   45.284    70.437  2.6776  60.423  2.7980  10.01320       3.872744 
1 1 1 -19 -3  17 o 77.317  2.1157  807.395   43.530    760.012   64.176    847.773   59.243    75.187  3.1867  79.446  2.7840  -4.258598      4.231496 
1 1 1 -19 -3  18 o 25.233  2.1593  84.315    14.076    104.204   22.270    71.084    18.165    27.673  3.0555  22.794  3.0519  4.879723       4.318535 
1 1 1 -19 -3  19 o 152.195 3.1677  3130.61   129.090   3166.49   185.392   3096.84   179.856   153.027 4.5231  151.363 4.4363  1.664749       6.335497 
1 1 1 -19 -3  20 o 51.579  2.5544  357.532   35.290    0.0000    0.0000    357.532   35.290    ?       ?       51.579  2.5544  ?              ?        
1 1 1 -19 -3  21 o 113.186 3.7618  1730.58   114.044   1730.58   114.044   0.0000    0.0000    113.186 3.7618  ?       ?       ?              ?        
1 1 1 -19 -3  22 o 79.356  2.1266  844.230   45.050    946.766   66.255    756.064   61.438    83.823  2.9510  74.889  3.0629  8.933807       4.253190 
1 1 1 -19 -3  23 o 48.917  1.9016  320.538   24.711    356.941   37.046    291.356   33.168    51.403  2.7001  46.431  2.6784  4.972687       3.803198 
1 1 1 -19 -3  24 o 116.611 2.6694  1845.19   83.301    1853.49   120.501   1837.59   115.283   116.831 3.8507  116.391 3.6979  0.4397430      5.338809 
1 1 1 -19 -3  25 o 100.714 2.4778  1378.72   66.666    1337.07   96.957    1416.07   91.814    99.213  3.6485  102.214 3.3536  -3.000618      4.955641 
1 1 1 -19 -3  26 o 55.907  2.0536  428.664   30.237    383.456   45.118    465.523   40.739    53.093  3.1874  58.721  2.5902  -5.627796      4.107182 
1 1 1 -19 -3  27 f 50.400  2.0164  344.989   26.872    344.512   40.741    345.357   35.753    50.323  3.0368  50.477  2.6537  -0.1545753     4.032884 
1 1 1 -19 -3  28 o 24.030  2.3379  77.227    14.360    100.965   22.714    61.422    18.534    27.078  3.1933  20.981  3.4155  6.096203       4.675775 
1 1 1 -19 -3  29 o 42.201  2.0393  241.704   22.679    250.351   34.886    235.374   29.846    42.807  3.0628  41.595  2.6934  1.212311       4.078592 
1 1 1 -19 -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -3  31 o 20.432  2.7201  58.164    13.953    64.258    22.997    54.614    17.553    21.180  4.2020  19.683  3.4554  1.497206       5.440297 
1 1 1 -19 -3  32 o 14.284  3.0138  27.024    11.969    36.912    20.513    21.919    14.739    15.988  4.5644  12.580  3.9368  3.407573       6.027562 
1 1 1 -19 -3  33 o 27.534  2.4362  99.490    16.957    141.695   28.376    76.045    21.149    31.866  3.3760  23.201  3.5132  8.664709       4.872316 
1 1 1 -19 -3  34 f 25.387  2.5633  88.101    16.555    108.435   27.158    76.077    20.884    27.611  3.7707  23.163  3.4732  4.448025       5.126528 
1 1 1 -19 -3  35 o 10.907  2.8035  6.2042    11.152    30.294    19.496    -5.5132   13.597    14.455  4.5284  7.3582  3.3064  7.096801       5.606973 
1 1 1 -19 -3  36 o 11.816  2.9697  18.197    12.425    3.1599    21.598    25.635    15.191    10.370  4.4195  13.262  3.9678  -2.892606      5.939340 
1 1 1 -19 -3  37 o 11.966  2.9930  19.409    12.383    5.6358    22.115    25.699    14.945    10.711  4.5142  13.221  3.9312  -2.509702      5.985969 
1 1 1 -19 -3  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -3  39 o 25.444  3.1277  103.174   18.980    81.833    32.244    114.488   23.479    22.569  5.4052  28.319  3.1487  -5.749447      6.255465 
1 1 1 -19 -3  40 o 32.181  2.6786  144.355   21.719    182.068   37.739    125.679   26.558    34.933  4.1120  29.429  3.4337  5.503830       5.357196 
1 1 1 -19 -3  41 o 12.205  2.8797  -6.1990   13.346    56.310    25.404    -30.0278  15.685    18.585  4.9957  5.8254  2.8659  12.75971       5.759391 
1 1 1 -19 -3  42 o 25.664  3.3864  112.609   20.483    89.837    36.155    123.372   24.857    22.372  5.9357  28.956  3.2618  -6.583370      6.772820 
1 1 1 -19 -2  1  o 160.234 3.2760  3456.70   140.543   3346.72   199.014   3566.10   198.502   157.677 4.7122  162.791 4.5525  -5.113632      6.552092 
1 1 1 -19 -2  2  o 155.040 3.2211  3238.63   133.554   3047.88   189.636   3426.35   188.121   150.480 4.7049  159.600 4.4006  -9.119629      6.442194 
1 1 1 -19 -2  3  o 216.324 4.2393  6320.58   245.508   6121.77   348.480   6516.51   345.936   212.911 6.1107  219.736 5.8777  -6.825485      8.478649 
1 1 1 -19 -2  4  o 206.647 4.0922  5762.38   226.472   5686.90   321.544   5836.69   319.030   205.288 5.8477  208.006 5.7262  -2.718323      8.184470 
1 1 1 -19 -2  5  o 119.350 2.6652  1913.94   85.188    1892.31   121.039   1935.16   119.918   118.678 3.8077  120.022 3.7302  -1.343948      5.330404 
1 1 1 -19 -2  6  o 219.551 4.2809  6508.67   251.686   6678.05   356.210   6339.81   355.667   222.425 5.9791  216.676 6.1283  5.749069       8.561882 
1 1 1 -19 -2  7  o 72.173  1.9970  698.827   38.604    701.032   54.739    696.646   54.450    72.286  2.8272  72.060  2.8211  0.2261581      3.993935 
1 1 1 -19 -2  8  o 64.286  1.9162  554.338   32.994    559.465   46.933    549.328   46.393    64.580  2.7132  63.993  2.7067  0.5874939      3.832467 
1 1 1 -19 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -2  10 o 86.740  3.2616  1016.48   75.401    1055.58   104.253   973.588   109.184   88.581  4.3940  84.898  4.8213  3.683197       6.523214 
1 1 1 -19 -2  11 o 111.603 2.4648  1672.89   73.679    1687.15   104.460   1658.77   103.938   112.077 3.4797  111.130 3.4919  0.9476471      4.929648 
1 1 1 -19 -2  12 o 13.607  2.6174  25.804    10.200    15.607    14.893    34.814    13.999    11.416  3.9731  15.798  3.4084  -4.382736      5.234787 
1 1 1 -19 -2  13 o 66.446  1.9191  591.000   34.011    607.302   50.771    577.728   45.809    67.270  2.8178  65.621  2.6062  1.648499       3.838286 
1 1 1 -19 -2  14 o 133.159 2.8398  2385.93   101.195   2372.33   146.026   2398.49   140.364   132.781 4.1059  133.538 3.9243  -0.7572327     5.679644 
1 1 1 -19 -2  15 o 145.102 3.0137  2831.98   117.045   2983.60   168.536   2690.73   162.674   148.855 4.2271  141.348 4.2967  7.507019       6.027455 
1 1 1 -19 -2  16 o 171.484 3.4372  3967.37   157.598   4297.03   225.908   3654.82   219.967   178.456 4.7262  164.511 4.9920  13.94556       6.874352 
1 1 1 -19 -2  17 o 139.179 3.0004  2618.90   111.535   2450.30   160.076   2777.99   155.493   134.770 4.4345  143.587 4.0430  -8.817245      6.000890 
1 1 1 -19 -2  18 o 115.661 2.6363  1804.90   81.519    1738.74   117.551   1866.19   113.145   113.591 3.8636  117.731 3.5880  -4.139427      5.272691 
1 1 1 -19 -2  19 f 93.732  2.2900  1178.83   57.375    1290.06   83.508    1079.38   78.964    97.915  3.1841  89.549  3.2922  8.365868       4.580073 
1 1 1 -19 -2  20 o 85.283  2.2465  983.232   51.090    922.748   74.300    1037.48   70.366    82.759  3.3518  87.807  2.9919  -5.047371      4.492908 
1 1 1 -19 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -2  22 o 51.051  1.9612  354.499   26.467    325.780   39.324    378.283   35.786    49.074  3.0062  53.028  2.5195  -3.953995      3.922392 
1 1 1 -19 -2  23 o 24.498  2.0830  79.532    13.106    105.105   20.532    61.949    17.025    27.788  2.7966  21.208  3.0877  6.579618       4.165955 
1 1 1 -19 -2  24 o 48.712  1.9479  321.797   25.136    314.521   37.574    327.692   33.818    48.179  2.9255  49.245  2.5728  -1.065720      3.895828 
1 1 1 -19 -2  25 f 23.423  2.2928  78.185    13.427    63.763    20.754    88.567    17.609    21.355  3.7661  25.491  2.6161  -4.136089      4.585581 
1 1 1 -19 -2  26 o 25.662  2.2966  94.827    14.603    71.661    22.406    111.933   19.254    22.634  3.8326  28.689  2.5315  -6.055172      4.593216 
1 1 1 -19 -2  27 o 46.005  2.0124  287.594   24.431    287.668   37.234    287.539   32.375    45.963  3.0416  46.047  2.6358  -0.8394241E-01 4.024783 
1 1 1 -19 -2  28 o 40.824  2.0430  226.136   21.889    232.483   34.068    221.674   28.566    41.259  3.1055  40.389  2.6554  0.8694954      4.085982 
1 1 1 -19 -2  29 o 60.263  2.1192  496.022   33.806    480.238   50.978    508.411   45.166    59.294  3.2220  61.232  2.7539  -1.938297      4.238483 
1 1 1 -19 -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -2  31 o 76.119  2.2219  782.460   45.020    896.723   68.213    694.276   59.925    80.980  3.1449  71.257  3.1397  9.722740       4.443881 
1 1 1 -19 -2  32 o 20.813  2.6965  60.308    13.993    67.303    23.507    56.470    17.414    21.620  4.2108  20.006  3.3695  1.613964       5.392999 
1 1 1 -19 -2  33 o 33.089  2.3002  151.008   19.724    159.211   31.444    145.686   25.327    33.719  3.5341  32.459  2.9452  1.259758       4.600392 
1 1 1 -19 -2  34 o 27.400  2.6468  110.733   17.724    92.934    28.977    121.373   22.403    25.222  4.4520  29.578  2.8637  -4.356249      5.293513 
1 1 1 -19 -2  35 o 41.860  2.2796  241.934   24.771    261.149   40.105    230.081   31.498    43.025  3.5107  40.696  2.9088  2.328697       4.559148 
1 1 1 -19 -2  36 o 17.575  3.1477  50.127    15.125    30.065    25.685    60.777    18.713    14.655  5.2080  20.496  3.5366  -5.841025      6.295311 
1 1 1 -19 -2  37 o 27.210  3.0436  117.615   19.140    89.469    33.392    131.387   23.358    23.841  5.3595  30.579  2.8860  -6.737823      6.087119 
1 1 1 -19 -2  38 o 19.053  5.4369  58.231    29.112    58.231    29.112    0.0000    0.0000    19.053  5.4369  ?       ?       ?              ?        
1 1 1 -19 -2  39 o 11.071  2.9776  13.457    13.401    -16.1828  26.297    23.853    15.575    9.3990  4.3620  12.744  4.0545  -3.344975      5.955292 
1 1 1 -19 -2  40 o 13.586  3.4261  26.696    15.048    24.035    27.731    27.806    17.916    13.598  5.2931  13.574  4.3517  0.2473354E-01  6.852276 
1 1 1 -19 -2  41 o 43.091  2.7661  284.845   29.373    251.990   49.161    303.085   36.630    40.168  4.6557  46.015  2.9882  -5.847176      5.532105 
1 1 1 -19 -2  42 o 32.165  3.0033  158.469   23.520    171.087   41.587    152.535   28.519    32.268  4.9713  32.062  3.3714  0.2063866      6.006684 
1 1 1 -19 -1  1  o 260.560 5.0213  9196.65   350.422   9122.24   496.571   9270.47   494.578   259.492 7.1444  261.628 7.0577  -2.135803      10.04259 
1 1 1 -19 -1  2  o 153.143 3.1543  3154.33   129.377   3206.93   184.305   3103.22   181.658   154.402 4.4565  151.884 4.4653  2.518555       6.308692 
1 1 1 -19 -1  3  o 211.158 4.1468  6018.63   234.461   5870.40   332.594   6165.07   330.571   208.548 5.9541  213.768 5.7734  -5.219772      8.293610 
1 1 1 -19 -1  4  o 153.236 3.2268  3159.38   132.429   3134.88   188.192   3183.41   186.386   152.641 4.6030  153.830 4.5236  -1.188934      6.453698 
1 1 1 -19 -1  5  o 79.723  2.1202  853.336   45.246    823.601   64.219    882.646   63.759    78.340  3.0605  81.106  2.9349  -2.766251      4.240324 
1 1 1 -19 -1  6  o 112.174 2.5431  1690.49   76.373    1750.43   107.979   1630.48   108.037   114.170 3.5310  110.177 3.6609  3.992455       5.086282 
1 1 1 -19 -1  7  o 65.741  1.9522  580.065   34.353    557.762   48.676    602.196   48.488    64.479  2.8185  67.003  2.7018  -2.523834      3.904310 
1 1 1 -19 -1  8  o 140.233 2.9911  2644.14   112.349   2659.68   158.820   2628.58   158.952   140.647 4.2158  139.819 4.2444  0.8283386      5.982300 
1 1 1 -19 -1  9  o 127.576 2.7200  2189.12   92.825    2135.49   133.704   2239.02   128.972   126.053 3.9601  129.098 3.7298  -3.045166      5.439981 
1 1 1 -19 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -1  11 o 29.266  1.8396  112.288   13.991    147.450   21.890    87.999    18.193    33.064  2.4900  25.468  2.7085  7.595201       3.679154 
1 1 1 -19 -1  12 o 77.100  2.0085  790.954   41.164    941.936   61.093    665.405   55.710    83.789  2.7222  70.412  2.9539  13.37654       4.016923 
1 1 1 -19 -1  13 o 129.336 2.7655  2246.72   95.749    2325.68   138.236   2173.89   132.750   131.516 3.9242  127.155 3.8977  4.360825       5.530979 
1 1 1 -19 -1  14 o 186.737 3.7029  4704.29   185.183   4783.24   264.557   4628.45   259.298   188.270 5.2463  185.204 5.2271  3.066208       7.405807 
1 1 1 -19 -1  15 o 241.826 4.7148  7940.43   305.240   7720.29   433.964   8155.99   429.422   238.446 6.7948  245.206 6.5383  -6.760635      9.429634 
1 1 1 -19 -1  16 o 72.797  2.0334  710.437   39.581    731.982   58.003    691.660   54.148    73.824  2.9333  71.770  2.8168  2.054161       4.066779 
1 1 1 -19 -1  17 o 108.631 2.4952  1586.10   72.560    1636.40   104.778   1539.75   100.582   110.281 3.5472  106.980 3.5102  3.301155       4.990370 
1 1 1 -19 -1  18 o 57.552  1.9712  448.440   30.104    415.296   44.230    477.046   41.091    55.504  2.9861  59.601  2.5740  -4.096867      3.942366 
1 1 1 -19 -1  19 o 42.322  1.9221  238.928   21.015    328.232   31.573    167.895   28.159    49.440  2.3843  35.204  3.0154  14.23598       3.844114 
1 1 1 -19 -1  20 o 38.984  1.8792  204.109   19.432    218.023   29.060    192.856   26.134    40.178  2.7163  37.791  2.5976  2.386635       3.758415 
1 1 1 -19 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -1  22 o 58.582  1.9746  460.930   30.885    477.224   45.852    447.397   41.785    59.518  2.8763  57.647  2.7062  1.870422       3.949213 
1 1 1 -19 -1  23 o 11.560  2.4848  18.014    9.2175    4.6387    14.466    27.157    11.960    9.2172  3.7448  13.903  3.2671  -4.685316      4.969645 
1 1 1 -19 -1  24 f 62.739  2.0099  526.844   33.634    589.222   50.280    476.325   45.248    66.072  2.8411  59.405  2.8437  6.666557       4.019793 
1 1 1 -19 -1  25 o 52.908  2.0354  383.036   28.371    348.656   42.545    410.569   38.073    50.650  3.1516  55.166  2.5767  -4.515411      4.070860 
1 1 1 -19 -1  26 o 14.727  2.7237  29.837    10.687    35.312    17.100    26.328    13.690    15.781  4.0310  13.672  3.6640  2.108376       5.447341 
1 1 1 -19 -1  27 o 49.231  1.9960  323.833   25.992    376.601   39.917    284.993   34.246    52.663  2.8404  45.800  2.8052  6.863091       3.992084 
1 1 1 -19 -1  28 o 4.6759  1.6070  -15.4307  6.3304    -20.9177  10.102    -11.8830  8.1231    4.6905  2.3062  4.6612  2.2387  0.2930546E-01  3.214019 
1 1 1 -19 -1  29 o 13.861  2.5222  18.656    10.673    53.783    18.463    1.0263    13.080    19.520  3.6660  8.2019  3.4650  11.31798       5.044348 
1 1 1 -19 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 -1  31 o 42.018  2.1421  237.925   23.617    269.051   37.332    217.158   30.494    44.228  3.1724  39.808  2.8793  4.420242       4.284226 
1 1 1 -19 -1  32 o 16.300  2.9575  39.093    12.649    34.957    21.478    41.290    15.651    15.608  4.7290  16.992  3.5531  -1.383326      5.915058 
1 1 1 -19 -1  33 o 20.076  2.9529  60.185    14.920    51.776    24.368    65.228    18.871    18.681  4.8332  21.471  3.3941  -2.789877      5.905888 
1 1 1 -19 -1  34 o 41.967  2.2452  239.415   24.600    276.426   39.583    216.126   31.400    44.470  3.3478  39.465  2.9928  5.005020       4.490459 
1 1 1 -19 -1  35 o 25.506  2.7536  94.266    17.309    93.276    29.192    94.802    21.495    25.089  4.5097  25.923  3.1611  -0.8339672     5.507253 
1 1 1 -19 -1  36 o 15.289  3.1874  36.263    13.863    26.296    24.675    40.860    16.758    13.966  5.0865  16.612  3.8427  -2.646837      6.374838 
1 1 1 -19 -1  37 o 12.107  3.1872  11.941    13.232    34.885    24.754    2.7617    15.657    15.262  5.1275  8.9533  3.7871  6.308418       6.374417 
1 1 1 -19 -1  38 o 29.598  2.7131  125.223   20.145    139.306   34.211    117.748   24.924    30.542  4.3011  28.654  3.3083  1.888262       5.426233 
1 1 1 -19 -1  39 o 23.140  3.0888  72.967    17.607    114.919   31.471    53.853    21.243    27.539  4.4157  18.741  4.3202  8.797686       6.177579 
1 1 1 -19 -1  40 o 41.410  2.7316  257.248   27.957    240.277   47.485    266.252   34.587    39.582  4.5623  43.237  3.0052  -3.655102      5.463146 
1 1 1 -19 -1  41 o 18.045  3.5640  53.919    16.942    52.342    32.072    54.529    19.954    17.361  5.8364  18.730  4.0918  -1.369202      7.127903 
1 1 1 -19 0   1  o 117.991 2.6438  1870.61   83.536    1853.44   118.969   1887.31   117.324   117.452 3.7817  118.529 3.6955  -1.076645      5.287506 
1 1 1 -19 0   2  o 94.035  2.2806  1186.65   57.412    1240.91   81.905    1134.23   80.498    96.151  3.1803  91.919  3.2696  4.231606       4.561182 
1 1 1 -19 0   3  o 209.592 4.1684  5928.24   234.008   5931.67   331.738   5924.84   330.142   209.648 5.9076  209.535 5.8824  0.1139679      8.336859 
1 1 1 -19 0   4  o 66.111  1.9851  586.356   35.146    585.630   50.158    587.056   49.262    66.069  2.8343  66.152  2.7802  -0.8259583E-01 3.970279 
1 1 1 -19 0   5  o 104.341 2.4070  1464.82   67.109    1403.66   96.998    1520.97   92.944    102.237 3.5421  106.445 3.2599  -4.208931      4.813927 
1 1 1 -19 0   6  o 112.844 2.4725  1707.65   74.677    1799.31   107.715   1622.82   103.623   115.758 3.4741  109.931 3.5192  5.827484       4.945100 
1 1 1 -19 0   7  o 54.391  1.7663  402.066   25.351    356.065   37.513    440.730   34.392    51.448  2.7320  57.335  2.2395  -5.886520      3.532614 
1 1 1 -19 0   8  o 75.181  2.0069  765.928   40.001    681.302   58.674    839.415   54.676    71.250  3.0745  79.111  2.5803  -7.861145      4.013778 
1 1 1 -19 0   9  o 108.103 2.4311  1571.18   70.252    1533.69   101.907   1605.14   96.978    106.862 3.5604  109.343 3.3112  -2.482079      4.862146 
1 1 1 -19 0   10 o 151.712 3.1015  3093.24   125.966   3228.80   181.080   2966.14   175.344   154.933 4.3635  148.491 4.4086  6.442123       6.202910 
1 1 1 -19 0   11 o 198.476 7.9644  5354.81   423.397   5354.81   423.397   0.0000    0.0000    198.476 7.9644  ?       ?       ?              ?        
1 1 1 -19 0   12 o 110.420 2.4730  1634.42   73.048    1752.51   105.831   1526.97   100.953   114.225 3.4591  106.615 3.5352  7.609879       4.946007 
1 1 1 -19 0   13 o 153.389 3.1586  3166.71   129.742   3195.59   185.762   3139.21   181.285   154.066 4.5015  152.713 4.4320  1.352936       6.317152 
1 1 1 -19 0   14 o 30.877  1.8809  130.208   15.177    119.445   22.872    138.676   20.288    29.688  2.9139  32.066  2.3791  -2.378025      3.761776 
1 1 1 -19 0   15 o 151.790 3.1664  3106.54   128.637   3025.02   183.883   3184.67   180.020   149.816 4.5824  153.763 4.3710  -3.946243      6.332776 
1 1 1 -19 0   16 o 64.857  1.9809  566.109   34.293    547.065   50.130    582.860   47.015    63.821  2.9325  65.892  2.6638  -2.071491      3.961792 
1 1 1 -19 0   17 o 34.889  1.9080  166.503   17.434    148.078   25.948    181.666   23.539    33.066  2.9611  36.712  2.4071  -3.645947      3.816059 
1 1 1 -19 0   18 o 124.092 2.7681  2078.18   91.879    2009.54   131.972   2142.75   127.992   122.075 4.0361  126.108 3.7892  -4.032631      5.536118 
1 1 1 -19 0   19 o 64.424  1.9952  556.821   34.352    574.492   50.591    541.704   46.793    65.365  2.8896  63.484  2.7519  1.880852       3.990317 
1 1 1 -19 0   20 o 80.973  2.1656  879.461   46.883    945.357   68.705    822.036   64.137    83.801  3.0609  78.144  3.0642  5.657272       4.331115 
1 1 1 -19 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 0   22 o 88.888  2.3130  1067.83   54.921    1047.44   80.236    1085.81   75.335    88.060  3.4018  89.716  3.1350  -1.655945      4.626033 
1 1 1 -19 0   23 o 75.993  2.1460  776.563   43.580    824.048   64.357    736.348   59.226    78.122  3.0756  73.864  2.9936  4.258194       4.291981 
1 1 1 -19 0   24 o 41.024  1.9654  227.616   21.282    232.162   32.427    224.176   28.207    41.354  2.9468  40.694  2.6014  0.6598358      3.930766 
1 1 1 -19 0   25 o 73.249  2.1270  719.708   41.549    810.914   62.097    645.779   55.907    77.418  2.9946  69.080  3.0215  8.337303       4.254099 
1 1 1 -19 0   26 o 85.501  2.3661  999.186   53.779    930.475   79.310    1057.67   73.172    82.675  3.5815  88.327  3.0929  -5.652130      4.732117 
1 1 1 -19 0   27 o 84.041  2.3339  962.896   52.250    934.790   77.379    986.453   70.840    82.837  3.4875  85.246  3.1025  -2.408768      4.667781 
1 1 1 -19 0   28 o 21.491  2.5215  60.331    13.488    96.982    22.109    38.601    17.023    26.522  3.1753  16.461  3.9177  10.06118       5.042901 
1 1 1 -19 0   29 o 41.180  2.1142  231.747   22.726    232.139   35.712    231.480   29.461    41.128  3.2687  41.231  2.6823  -0.1034279     4.228391 
1 1 1 -19 0   30 o 28.621  2.7325  116.154   19.983    139.399   28.137    92.495    28.386    31.742  3.3605  25.500  4.3096  6.242352       5.464948 
1 1 1 -19 0   31 o 17.800  2.8405  52.744    13.802    17.649    23.395    71.481    17.094    12.882  4.9008  22.719  2.8734  -9.836391      5.681093 
1 1 1 -19 0   32 o 69.407  2.2999  663.719   42.186    666.770   64.731    661.466   55.619    69.359  3.4956  69.456  2.9897  -0.9658051E-01 4.599723 
1 1 1 -19 0   33 o 45.885  2.2782  295.297   27.019    278.367   42.854    306.467   34.810    44.564  3.6215  47.205  2.7652  -2.640610      4.556474 
1 1 1 -19 0   34 o 44.045  2.2825  270.676   26.028    271.484   41.790    270.164   33.268    43.890  3.5861  44.199  2.8248  -0.3093033     4.565084 
1 1 1 -19 0   35 o 21.124  2.9604  64.279    15.418    71.408    26.745    60.731    18.868    21.744  4.7270  20.503  3.5652  1.240751       5.920747 
1 1 1 -19 0   36 o 18.887  3.1585  52.673    15.021    58.507    26.214    49.821    18.328    19.417  5.0078  18.357  3.8505  1.060093       6.316995 
1 1 1 -19 0   37 o 15.372  5.6417  33.998    30.440    0.0000    0.0000    33.998    30.440    ?       ?       15.372  5.6417  ?              ?        
1 1 1 -19 0   38 o 12.025  3.2360  13.605    13.719    30.415    24.808    6.1996    16.466    14.447  5.1201  9.6027  3.9589  4.844134       6.472072 
1 1 1 -19 0   39 o 18.248  3.5434  49.952    16.801    63.388    30.466    44.080    20.141    19.628  5.5484  16.867  4.4088  2.760733       7.086721 
1 1 1 -19 0   40 o 26.301  3.2389  108.186   20.072    105.634   36.443    109.297   24.048    25.226  5.5446  27.376  3.3495  -2.149376      6.477838 
1 1 1 -19 0   41 o 11.191  3.1807  7.2676    13.693    31.051    25.892    -1.9677   16.135    14.118  5.2000  8.2641  3.6645  5.854365       6.361458 
1 1 1 -19 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 1   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 1   3  o 232.871 5.5902  7380.52   326.208   7313.14   571.328   7413.10   397.342   231.510 9.2136  234.232 6.3333  -2.722260      11.18036 
1 1 1 -19 1   4  o 104.071 2.3876  1450.80   66.477    1536.73   96.727    1373.88   91.515    106.985 3.3755  101.158 3.3776  5.827316       4.775112 
1 1 1 -19 1   5  o 250.200 4.7929  8469.89   321.137   8350.13   456.245   8587.48   452.097   248.417 6.8569  251.982 6.6984  -3.564774      9.585699 
1 1 1 -19 1   6  o 123.282 2.6312  2039.54   86.829    2140.70   124.898   1944.93   120.795   126.240 3.6938  120.324 3.7481  5.916267       5.262310 
1 1 1 -19 1   7  o 150.071 3.0416  3026.11   122.105   3245.47   175.210   2818.96   170.261   155.368 4.2103  144.775 4.3907  10.59332       6.083124 
1 1 1 -19 1   8  o 180.421 3.6040  4390.30   173.938   4200.58   248.482   4572.58   243.563   176.561 5.2542  184.280 4.9345  -7.718750      7.208090 
1 1 1 -19 1   9  o 40.147  1.8142  223.739   18.767    178.447   28.388    258.897   25.012    36.349  2.9410  43.945  2.1249  -7.596394      3.628351 
1 1 1 -19 1   10 o 34.076  1.7597  153.260   15.370    218.359   23.571    105.103   20.274    40.297  2.1921  27.855  2.7534  12.44256       3.519427 
1 1 1 -19 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 1   12 o 12.875  2.2381  21.709    7.9403    34.946    12.275    12.185    10.412    15.877  2.9963  9.8728  3.3254  6.003864       4.476220 
1 1 1 -19 1   13 o 108.094 2.4622  1568.18   71.250    1636.33   102.579   1504.65   99.040    110.362 3.4702  105.826 3.4940  4.536011       4.924481 
1 1 1 -19 1   14 o 78.243  2.1386  827.651   44.509    740.713   64.328    907.499   61.648    74.260  3.2341  82.227  2.7991  -7.966835      4.277189 
1 1 1 -19 1   15 f 26.569  1.9299  96.524    13.376    89.636    20.016    102.081   17.980    25.666  2.9662  27.472  2.4699  -1.805790      3.859882 
1 1 1 -19 1   16 o 19.786  2.1699  53.324    11.068    58.826    16.746    49.056    14.749    20.695  3.1178  18.876  3.0188  1.818981       4.339831 
1 1 1 -19 1   17 o 95.700  2.3710  1234.94   60.611    1175.71   87.604    1289.32   83.948    93.475  3.4990  97.924  3.2006  -4.449654      4.742002 
1 1 1 -19 1   18 o 42.270  1.9518  244.047   21.681    216.175   32.114    267.392   29.390    39.985  3.0209  44.556  2.4724  -4.571190      3.903615 
1 1 1 -19 1   19 o 53.901  1.9518  390.377   28.040    400.073   41.508    382.238   38.030    54.472  2.8548  53.330  2.6623  1.141891       3.903586 
1 1 1 -19 1   20 o 39.604  1.9133  207.546   19.827    268.920   30.323    161.713   26.204    44.656  2.5457  34.552  2.8571  10.10432       3.826663 
1 1 1 -19 1   21 o 51.744  2.4131  379.705   31.566    444.483   41.301    288.712   48.950    57.473  2.6830  46.016  4.0117  11.45699       4.826168 
1 1 1 -19 1   22 o 25.261  2.1175  87.600    13.840    84.928    21.224    89.577    18.256    24.872  3.2648  25.651  2.6976  -0.7789917     4.235031 
1 1 1 -19 1   23 o 21.059  2.2809  60.825    12.284    64.029    19.221    58.612    15.972    21.488  3.4569  20.630  2.9766  0.8576260      4.561832 
1 1 1 -19 1   24 o 75.828  2.1894  776.799   44.308    789.222   65.723    766.449   59.991    76.354  3.2136  75.302  2.9743  1.051819       4.378815 
1 1 1 -19 1   25 o 69.002  2.1201  641.059   39.028    681.914   58.432    608.154   52.440    70.958  3.0744  67.047  2.9201  3.910820       4.240152 
1 1 1 -19 1   26 o 75.911  2.2804  787.785   45.941    734.243   68.308    832.005   62.077    73.457  3.4718  78.364  2.9575  -4.907509      4.560719 
1 1 1 -19 1   27 o 78.094  2.2258  821.773   46.351    904.905   69.645    755.671   62.102    81.596  3.1866  74.591  3.1084  7.004692       4.451560 
1 1 1 -19 1   28 o 30.045  2.2099  123.367   17.112    127.324   27.443    120.851   21.889    30.361  3.4351  29.728  2.7812  0.6332474      4.419831 
1 1 1 -19 1   29 o 18.204  5.3006  47.751    27.415    0.0000    0.0000    47.751    27.415    ?       ?       18.204  5.3006  ?              ?        
1 1 1 -19 1   30 o 42.714  2.2189  254.281   24.500    232.914   38.445    268.892   31.792    41.031  3.5326  44.397  2.6861  -3.365879      4.437859 
1 1 1 -19 1   31 o 61.938  2.1796  517.376   35.744    590.726   55.530    465.483   46.706    65.626  3.1591  58.250  3.0038  7.376476       4.359210 
1 1 1 -19 1   32 o 38.436  2.2639  202.226   22.486    216.230   36.659    193.778   28.472    39.363  3.5138  37.509  2.8554  1.854229       4.527718 
1 1 1 -19 1   33 o 30.335  2.4454  128.036   18.944    135.654   31.001    123.496   23.932    30.893  3.8285  29.778  3.0433  1.115326       4.890764 
1 1 1 -19 1   34 o 16.891  3.1835  38.614    13.829    55.775    25.226    31.241    16.535    19.194  4.8923  14.587  4.0749  4.607047       6.367047 
1 1 1 -19 1   35 o 16.930  3.1908  45.478    14.714    32.139    25.577    52.076    17.989    14.979  5.2072  18.882  3.6893  -3.902884      6.381632 
1 1 1 -19 1   36 o 14.502  3.0254  33.817    13.660    9.6113    24.824    44.330    16.359    11.649  4.8367  17.354  3.6358  -5.705597      6.050813 
1 1 1 -19 1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 1   38 f 13.208  3.3548  21.926    13.848    32.675    26.397    17.844    16.265    14.858  5.2798  11.558  4.1405  3.300215       6.709665 
1 1 1 -19 1   39 o 22.385  3.4854  86.047    19.438    60.656    34.522    97.834    23.521    18.892  6.0391  25.879  3.4816  -6.986961      6.970814 
1 1 1 -19 1   40 o 14.545  3.3493  34.982    15.859    13.348    29.589    43.702    18.786    12.372  5.2182  16.719  4.2004  -4.346965      6.698678 
1 1 1 -19 1   41 f 23.953  3.6448  100.505   20.847    86.860    39.146    105.908   24.631    21.369  6.3642  26.536  3.5547  -5.166964      7.289666 
1 1 1 -19 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 2   4  o 170.299 4.5509  4057.19   189.947   3564.75   335.126   4290.27   230.557   162.076 7.7197  178.521 4.8217  -16.44510      9.101775 
1 1 1 -19 2   5  o 183.867 3.6165  4555.60   178.040   4465.47   253.590   4643.22   250.020   182.055 5.2005  185.679 5.0272  -3.624374      7.233062 
1 1 1 -19 2   6  o 168.701 3.3718  3829.47   152.331   3921.30   217.616   3741.24   213.305   170.685 4.7600  166.717 4.7768  3.967758       6.743518 
1 1 1 -19 2   7  o 156.259 3.1922  3287.27   133.494   3207.49   191.189   3363.17   186.478   154.390 4.6233  158.128 4.4028  -3.737289      6.384349 
1 1 1 -19 2   8  f 112.655 2.5126  1706.21   75.694    1669.33   109.484   1739.99   104.767   111.477 3.6667  113.833 3.4361  -2.355652      5.025106 
1 1 1 -19 2   9  o 164.935 3.3816  3670.96   149.019   3423.04   212.806   3909.50   208.742   159.421 4.9837  170.449 4.5722  -11.02811      6.763282 
1 1 1 -19 2   10 f 53.718  1.9423  399.856   26.929    297.497   39.327    490.213   36.950    46.973  3.1440  60.464  2.2815  -13.49163      3.884571 
1 1 1 -19 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 2   12 o 58.000  1.8927  452.385   29.319    434.483   42.582    468.522   40.428    56.902  2.7939  59.098  2.5540  -2.196510      3.785326 
1 1 1 -19 2   13 o 54.383  1.8677  395.895   27.107    429.223   39.647    366.641   37.144    56.560  2.6170  52.205  2.6653  4.355217       3.735312 
1 1 1 -19 2   14 o 112.834 2.5895  1714.72   78.117    1637.91   112.168   1787.06   108.855   110.359 3.7946  115.308 3.5245  -4.947990      5.178964 
1 1 1 -19 2   15 o 78.746  2.1242  831.767   44.758    855.948   65.103    810.094   61.634    79.827  3.0448  77.666  2.9628  2.161507       4.248427 
1 1 1 -19 2   16 o 108.555 2.5097  1583.26   72.924    1654.06   105.321   1518.05   101.071   110.884 3.5462  106.226 3.5523  4.657257       5.019360 
1 1 1 -19 2   17 o 77.158  2.1274  798.172   43.902    838.560   64.240    762.776   60.138    78.982  3.0366  75.334  2.9804  3.648323       4.254805 
1 1 1 -19 2   18 o 63.028  2.0069  532.585   33.801    553.291   49.877    514.998   45.966    64.152  2.9026  61.903  2.7722  2.249332       4.013816 
1 1 1 -19 2   19 f 26.428  2.0283  94.380    14.034    100.464   21.345    89.748    18.625    27.165  2.9827  25.692  2.7493  1.473251       4.056501 
1 1 1 -19 2   20 o 85.209  4.5806  987.425   104.160   0.0000    0.0000    987.425   104.160   ?       ?       85.209  4.5806  ?              ?        
1 1 1 -19 2   21 o 69.515  2.0860  649.354   38.733    673.988   57.343    628.684   52.526    70.713  3.0276  68.317  2.8705  2.395721       4.172058 
1 1 1 -19 2   22 o 58.329  2.0606  462.392   31.817    435.043   47.516    484.622   42.839    56.679  3.1422  59.979  2.6665  -3.299950      4.121126 
1 1 1 -19 2   23 o 72.228  2.1289  701.388   41.051    745.323   61.148    665.341   55.388    74.264  3.0741  70.192  2.9461  4.071945       4.257866 
1 1 1 -19 2   24 o 54.924  2.0391  407.824   29.715    412.498   44.902    404.183   39.635    55.133  3.0525  54.715  2.7045  0.4177246      4.078269 
1 1 1 -19 2   25 o 59.974  2.1628  495.865   34.021    434.388   51.082    544.869   45.607    56.449  3.3943  63.499  2.6815  -7.050735      4.325693 
1 1 1 -19 2   26 o 77.165  2.2683  811.227   46.550    787.049   69.508    830.890   62.683    76.048  3.4124  78.282  2.9895  -2.234291      4.536644 
1 1 1 -19 2   27 o 42.925  2.0307  242.685   22.771    318.669   35.852    191.307   29.481    48.419  2.7760  37.432  2.9646  10.98658       4.061453 
1 1 1 -19 2   28 o 28.468  2.4838  119.851   17.035    86.638    27.211    141.258   21.845    24.735  4.2609  32.201  2.5537  -7.465626      4.967566 
1 1 1 -19 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 2   30 o 45.397  2.1315  279.132   25.363    302.559   40.177    263.611   32.703    46.892  3.2183  43.903  2.7956  2.989197       4.262982 
1 1 1 -19 2   31 o 28.494  2.4213  113.287   17.480    114.059   28.604    112.827   22.084    28.415  3.8580  28.573  2.9269  -0.1573620     4.842578 
1 1 1 -19 2   32 o 13.953  3.0739  26.250    12.111    32.658    21.300    23.189    14.723    15.094  4.7340  12.812  3.9224  2.282066       6.147861 
1 1 1 -19 2   33 o 28.750  2.5689  106.802   17.938    183.172   30.355    65.823    22.236    36.234  3.1593  21.267  4.0515  14.96734       5.137699 
1 1 1 -19 2   34 o 14.935  2.9974  35.390    13.547    12.776    23.593    46.514    16.547    11.972  4.8109  17.898  3.5767  -5.926053      5.994842 
1 1 1 -19 2   35 o 23.704  2.9068  77.908    16.876    99.410    30.119    68.069    20.374    25.764  4.5299  21.644  3.6440  4.120218       5.813675 
1 1 1 -19 2   36 o 30.562  2.6658  132.555   20.331    146.350   35.029    125.546   24.968    31.414  4.2740  29.711  3.1872  1.703497       5.331543 
1 1 1 -19 2   37 o 29.629  3.0967  130.658   23.650    154.128   35.043    111.027   32.049    32.241  4.1545  27.017  4.5933  5.224730       6.193388 
1 1 1 -19 2   38 o 19.104  3.5075  57.060    17.190    59.528    30.997    55.963    20.658    19.013  5.6634  19.195  4.1398  -0.1817780     7.015077 
1 1 1 -19 2   39 o 36.608  2.9431  208.414   25.890    178.452   43.934    224.355   32.045    33.586  5.0392  39.631  3.0421  -6.044449      5.886244 
1 1 1 -19 2   40 o 13.819  3.5513  25.793    15.453    40.544    29.893    20.413    18.051    15.650  5.6124  11.989  4.3529  3.661138       7.102649 
1 1 1 -19 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 3   5  o 79.055  1.9695  835.892   41.593    926.638   60.519    754.663   57.258    83.112  2.7186  74.998  2.8504  8.114021       3.938939 
1 1 1 -19 3   6  o 239.115 4.5946  7729.08   294.241   7881.07   418.710   7580.79   413.577   241.445 6.4745  236.785 6.5210  4.660370       9.189252 
1 1 1 -19 3   7  o 120.474 2.6463  1955.71   85.137    1838.36   122.663   2064.80   118.263   116.959 3.9155  123.990 3.5610  -7.031281      5.292659 
1 1 1 -19 3   8  o 61.851  1.8864  515.257   31.105    485.819   45.418    541.262   42.687    60.175  2.8179  63.527  2.5087  -3.352863      3.772800 
1 1 1 -19 3   9  o 32.011  1.7712  139.852   14.874    123.944   21.933    153.398   20.239    30.272  2.7345  33.749  2.2518  -3.476599      3.542308 
1 1 1 -19 3   10 o 101.143 2.3728  1373.55   64.261    1380.74   92.177    1366.75   89.633    101.398 3.3939  100.889 3.3169  0.5088043      4.745606 
1 1 1 -19 3   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 3   12 o 131.696 2.8268  2331.05   99.673    2425.52   142.786   2241.25   139.201   134.301 3.9693  129.091 4.0258  5.209885       5.653584 
1 1 1 -19 3   13 o 145.861 3.0408  2864.58   118.359   3198.36   169.639   2547.98   165.217   154.174 4.1079  137.547 4.4845  16.62730       6.081617 
1 1 1 -19 3   14 o 84.508  2.1933  959.041   49.588    963.125   71.977    955.351   68.413    84.674  3.1736  84.343  3.0283  0.3309479      4.386649 
1 1 1 -19 3   15 o 134.701 2.9083  2444.19   104.878   2432.16   150.502   2455.55   146.229   134.366 4.1818  135.037 4.0429  -0.6704254     5.816567 
1 1 1 -19 3   16 o 119.525 2.6697  1920.93   85.401    2029.03   123.227   1821.02   118.464   122.761 3.7476  116.289 3.8033  6.471931       5.339436 
1 1 1 -19 3   17 o 101.370 2.4872  1387.35   67.323    1318.18   97.515    1450.34   93.059    98.924  3.6802  103.817 3.3466  -4.892303      4.974312 
1 1 1 -19 3   18 o 140.541 3.0220  2668.37   113.703   2680.73   163.566   2656.81   158.170   140.838 4.3359  140.244 4.2106  0.5935974      6.043999 
1 1 1 -19 3   19 o 118.711 2.6766  1898.52   85.005    2028.07   123.189   1780.76   117.448   122.577 3.7521  114.845 3.8181  7.732529       5.353112 
1 1 1 -19 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 3   21 o 66.825  2.1472  609.596   37.893    545.061   56.100    663.742   51.387    63.448  3.3126  70.201  2.7329  -6.753048      4.294393 
1 1 1 -19 3   22 f 14.580  2.5036  28.016    9.6983    41.723    15.587    19.356    12.388    17.254  3.4925  11.906  3.5880  5.348638       5.007185 
1 1 1 -19 3   23 o 77.699  2.2622  821.626   46.728    771.874   69.149    863.438   63.391    75.464  3.4210  79.934  2.9608  -4.470161      4.524339 
1 1 1 -19 3   24 o 56.674  2.0600  435.775   30.907    429.902   46.841    440.303   41.131    56.252  3.1211  57.096  2.6895  -0.8440971     4.120055 
1 1 1 -19 3   25 o 38.245  2.1119  204.141   20.789    175.413   32.148    224.789   27.255    35.766  3.3966  40.724  2.5109  -4.958622      4.223897 
1 1 1 -19 3   26 o 38.808  2.1044  206.151   21.273    201.684   33.334    209.220   27.631    38.376  3.2743  39.240  2.6443  -0.8642654     4.208739 
1 1 1 -19 3   27 o 23.473  2.4995  78.957    14.479    68.985    23.564    85.005    18.352    22.061  4.1400  24.886  2.8021  -2.825283      4.999078 
1 1 1 -19 3   28 o 67.352  2.2249  617.439   39.758    625.359   60.681    611.482   52.628    67.652  3.3488  67.053  2.9303  0.5985641      4.449811 
1 1 1 -19 3   29 o 18.210  4.5867  48.070    22.360    48.070    22.360    0.0000    0.0000    18.210  4.5867  ?       ?       ?              ?        
1 1 1 -19 3   30 f 28.697  2.3619  112.899   17.324    121.887   28.370    107.555   21.877    29.495  3.6705  27.899  2.9734  1.595322       4.723745 
1 1 1 -19 3   31 o 18.762  2.8690  46.032    13.793    75.897    23.442    30.219    17.058    23.033  3.9413  14.490  4.1702  8.543515       5.737975 
1 1 1 -19 3   32 o 25.501  2.7698  92.423    17.532    95.575    29.493    90.701    21.803    25.603  4.4630  25.400  3.2815  0.2025166      5.539553 
1 1 1 -19 3   33 o 40.373  2.2978  222.570   24.052    254.039   39.380    203.847   30.375    42.470  3.4928  38.275  2.9865  4.194370       4.595518 
1 1 1 -19 3   34 o 32.470  2.7694  160.649   21.545    124.404   35.489    181.804   27.112    28.817  4.7644  36.124  2.8246  -7.307335      5.538745 
1 1 1 -19 3   35 o 54.921  2.4233  427.791   34.357    431.286   55.863    425.665   43.573    54.705  3.8367  55.137  2.9613  -0.4312820     4.846606 
1 1 1 -19 3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 3   37 o 11.725  3.2303  11.181    13.492    28.876    25.696    4.4461    15.853    14.247  5.1904  9.2035  3.8469  5.043788       6.460503 
1 1 1 -19 3   38 o 17.196  3.4833  49.870    17.119    32.043    31.186    57.558    20.480    14.919  5.6625  19.472  4.0582  -4.553515      6.966594 
1 1 1 -19 3   39 o 11.385  3.2534  8.8142    13.965    27.945    27.062    1.8711    16.303    13.924  5.2773  8.8463  3.8066  5.077656       6.506896 
1 1 1 -19 3   40 o 12.502  3.0876  22.433    15.441    -17.7708  28.942    38.430    18.257    9.5097  4.4662  15.494  4.2646  -5.984303      6.175227 
1 1 1 -19 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 4   5  o 67.599  1.8689  613.093   33.733    611.291   49.674    614.635   45.954    67.502  2.7474  67.695  2.5344  -0.1930923     3.737841 
1 1 1 -19 4   6  o 33.507  1.6785  151.036   14.875    153.747   22.390    148.894   19.903    33.766  2.4932  33.248  2.2481  0.5182571      3.357050 
1 1 1 -19 4   7  o 60.589  1.8505  490.932   29.977    533.171   43.666    453.281   41.226    63.047  2.5857  58.130  2.6478  4.917229       3.700916 
1 1 1 -19 4   8  o 31.630  1.8716  136.679   14.664    201.954   21.706    81.878    19.888    38.756  2.0988  24.505  3.0994  14.25111       3.743199 
1 1 1 -19 4   9  o 151.054 3.1253  3069.43   126.436   3125.71   180.339   3015.03   177.313   152.416 4.4174  149.692 4.4223  2.723709       6.250668 
1 1 1 -19 4   10 o 129.723 2.8338  2268.49   98.199    2114.00   140.442   2416.26   137.359   125.368 4.1824  134.078 3.8248  -8.710274      5.667571 
1 1 1 -19 4   11 o 85.836  2.2029  990.181   50.571    968.858   73.094    1009.76   70.040    84.942  3.2127  86.730  3.0150  -1.788155      4.405876 
1 1 1 -19 4   12 o 130.524 2.8450  2292.14   99.416    2275.86   142.507   2307.57   138.759   130.062 4.0907  130.985 3.9550  -0.9225616     5.689992 
1 1 1 -19 4   13 o 191.686 3.8576  4967.90   197.895   4791.14   281.875   5139.71   277.898   188.279 5.5894  195.092 5.3181  -6.812897      7.715154 
1 1 1 -19 4   14 o 19.879  2.1754  53.266    10.947    73.001    16.694    38.380    14.499    23.158  2.7447  16.600  3.3759  6.557961       4.350856 
1 1 1 -19 4   15 o 85.329  2.2186  977.604   50.645    997.302   73.751    960.025   69.669    86.136  3.1967  84.522  3.0774  1.613708       4.437223 
1 1 1 -19 4   16 o 63.937  2.1072  558.964   35.420    472.387   51.993    633.940   48.384    59.170  3.2937  68.704  2.6292  -9.534691      4.214386 
1 1 1 -19 4   17 o 129.370 2.9071  2265.35   100.438   2128.86   144.602   2392.59   139.611   125.547 4.3001  133.193 3.9134  -7.646126      5.814233 
1 1 1 -19 4   18 o 30.124  2.0768  125.265   16.190    110.271   24.488    136.909   21.580    28.430  3.2757  31.817  2.5537  -3.387556      4.153537 
1 1 1 -19 4   19 o 106.958 2.5364  1541.45   72.584    1599.11   105.711   1490.02   99.839    108.838 3.6262  105.078 3.5473  3.760185       5.072737 
1 1 1 -19 4   20 f 62.192  4.2117  526.807   69.745    526.807   69.745    0.0000    0.0000    62.192  4.2117  ?       ?       ?              ?        
1 1 1 -19 4   21 o 24.945  2.0910  83.069    13.526    99.773    21.193    71.587    17.571    27.036  2.9758  22.854  2.9384  4.181332       4.182070 
1 1 1 -19 4   22 o 11.558  2.5892  18.005    8.9792    14.720    14.287    20.150    11.544    11.070  3.8893  12.045  3.4190  -0.9752464     5.178460 
1 1 1 -19 4   23 o 24.274  2.1957  80.764    13.656    82.214    21.659    79.808    17.594    24.393  3.4081  24.155  2.7694  0.2383728      4.391398 
1 1 1 -19 4   24 o 57.872  2.1365  459.331   32.536    420.305   49.132    489.811   43.421    55.543  3.3177  60.202  2.6928  -4.659485      4.272977 
1 1 1 -19 4   25 o 45.924  2.0096  280.132   24.307    342.416   37.724    235.918   31.784    50.211  2.8164  41.637  2.8674  8.573456       4.019211 
1 1 1 -19 4   26 o 38.487  2.1857  208.184   21.574    174.015   33.220    233.106   28.372    35.541  3.5366  41.433  2.5692  -5.892193      4.371307 
1 1 1 -19 4   27 o 27.342  2.3055  102.598   16.036    106.131   26.239    100.492   20.260    27.619  3.6351  27.065  2.8369  0.5541878      4.611087 
1 1 1 -19 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 4   29 o 18.682  2.7837  48.154    13.208    59.503    21.594    41.369    16.696    20.369  4.0999  16.995  3.7667  3.373585       5.567495 
1 1 1 -19 4   30 o 23.284  2.5829  74.891    15.123    84.120    25.092    69.626    18.953    24.289  3.9960  22.279  3.2736  2.009266       5.165734 
1 1 1 -19 4   31 o 24.788  2.8743  94.591    17.055    67.366    27.806    111.012   21.595    21.271  4.9699  28.304  2.8889  -7.032555      5.748575 
1 1 1 -19 4   32 o 25.736  2.6894  94.958    17.191    94.117    28.626    95.432    21.499    25.390  4.3668  26.083  3.1405  -0.6930122     5.378794 
1 1 1 -19 4   33 o 15.473  3.0663  37.802    13.839    19.344    23.669    47.389    17.058    12.902  4.9244  18.043  3.6550  -5.141086      6.132609 
1 1 1 -19 4   34 o 53.153  2.4390  406.191   33.312    375.879   53.290    425.632   42.678    51.062  3.9265  55.243  2.8943  -4.181503      4.877944 
1 1 1 -19 4   35 o 11.451  2.9071  15.478    13.113    -12.8391  23.513    28.259    15.797    9.1212  4.1941  13.782  4.0268  -4.660576      5.814237 
1 1 1 -19 4   36 o 15.988  5.5672  39.168    29.242    39.168    29.242    0.0000    0.0000    15.988  5.5672  ?       ?       ?              ?        
1 1 1 -19 4   37 o 14.868  3.4928  29.648    15.234    47.591    28.062    22.150    18.139    17.204  5.4390  12.532  4.3836  4.671188       6.985610 
1 1 1 -19 4   38 o 7.9513  2.6414  -12.5284  12.881    -22.7811  25.213    -8.9074   14.984    8.6349  4.0896  7.2676  3.3441  1.367353       5.282815 
1 1 1 -19 4   39 o 35.110  3.0152  192.794   25.507    177.753   43.912    200.454   31.335    33.063  5.1243  37.157  3.1792  -4.093506      6.030404 
1 1 1 -19 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 5   5  o 186.753 3.7192  4703.17   185.954   4606.93   265.179   4796.27   260.832   184.851 5.3559  188.656 5.1618  -3.805130      7.438381 
1 1 1 -19 5   6  o 110.043 2.5028  1627.47   73.716    1594.42   105.567   1658.93   102.981   108.944 3.6177  111.141 3.4594  -2.196388      5.005514 
1 1 1 -19 5   7  o 107.821 2.4855  1564.53   71.642    1483.41   102.644   1641.58   100.040   105.079 3.6469  110.564 3.3781  -5.484993      4.971100 
1 1 1 -19 5   8  o 175.595 3.5317  4153.51   166.092   4224.11   236.758   4085.09   233.064   177.064 4.9921  174.126 4.9972  2.939026       7.063490 
1 1 1 -19 5   9  f 105.924 2.4417  1505.29   69.091    1662.44   99.557    1359.29   95.961    111.261 3.3407  100.587 3.5618  10.67364       4.883313 
1 1 1 -19 5   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 5   11 o 166.987 3.4418  3761.04   153.833   3655.28   219.568   3863.01   215.593   164.655 4.9786  169.319 4.7538  -4.663849      6.883662 
1 1 1 -19 5   12 o 161.071 3.3504  3500.17   144.414   3390.16   206.383   3605.70   202.147   158.562 4.8594  163.580 4.6137  -5.017899      6.700749 
1 1 1 -19 5   13 o 21.534  2.4754  76.152    12.583    21.761    18.804    120.255   16.933    13.199  4.4689  29.869  2.1305  -16.66989      4.950719 
1 1 1 -19 5   14 o 155.747 3.2511  3271.74   135.589   3310.27   194.348   3235.20   189.258   156.632 4.6325  154.863 4.5627  1.768967       6.502124 
1 1 1 -19 5   15 o 89.614  2.3169  1081.74   55.468    1053.24   80.787    1107.16   76.292    88.480  3.4089  90.748  3.1387  -2.267937      4.633782 
1 1 1 -19 5   16 o 49.887  2.0132  340.638   26.354    291.758   39.026    381.614   35.732    46.467  3.1543  53.307  2.5026  -6.839909      4.026454 
1 1 1 -19 5   17 o 101.957 2.4797  1399.27   67.631    1429.00   98.566    1372.82   92.969    102.967 3.5739  100.947 3.4384  2.020081       4.959373 
1 1 1 -19 5   18 o 65.280  2.0512  570.784   35.761    608.526   53.118    539.494   48.364    67.239  2.9494  63.321  2.8516  3.918285       4.102454 
1 1 1 -19 5   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 5   20 o 68.953  2.0856  635.763   38.359    712.246   57.298    573.644   51.637    72.681  2.9432  65.225  2.9557  7.455864       4.171196 
1 1 1 -19 5   21 f 40.298  1.9634  218.450   20.885    231.772   32.039    208.607   27.539    41.341  2.9120  39.256  2.6344  2.084759       3.926826 
1 1 1 -19 5   22 o 18.461  2.4646  46.568    11.569    54.374    18.398    41.462    14.878    19.715  3.6172  17.207  3.3485  2.507969       4.929183 
1 1 1 -19 5   23 o 25.382  2.1565  85.869    14.143    106.825   22.335    71.841    18.274    27.929  3.0344  22.835  3.0650  5.094168       4.313020 
1 1 1 -19 5   24 o 69.271  2.1773  650.609   40.120    652.906   60.415    648.796   53.661    69.329  3.2534  69.212  2.8946  0.1169281      4.354667 
1 1 1 -19 5   25 o 10.919  2.6759  12.936    9.4746    21.968    15.603    7.6601    11.925    12.751  4.0582  9.0869  3.4889  3.664003       5.351806 
1 1 1 -19 5   26 o 42.397  2.0758  241.130   23.165    272.792   36.213    219.199   30.138    44.695  3.0430  40.100  2.8240  4.595318       4.151499 
1 1 1 -19 5   27 o 30.118  2.2968  123.549   17.803    132.632   28.831    117.952   22.633    30.927  3.5445  29.309  2.9219  1.617346       4.593578 
1 1 1 -19 5   28 o 63.989  4.6768  576.097   79.603    576.097   79.603    0.0000    0.0000    63.989  4.6768  ?       ?       ?              ?        
1 1 1 -19 5   29 o 27.245  2.5511  106.475   17.339    94.676    27.892    113.907   22.135    25.759  4.1864  28.731  2.9168  -2.971973      5.102289 
1 1 1 -19 5   30 o 34.134  2.4070  165.874   20.757    149.168   33.481    176.304   26.455    32.473  3.9292  35.795  2.7811  -3.322197      4.813904 
1 1 1 -19 5   31 o 55.491  2.3243  428.995   33.634    424.332   53.146    432.111   43.440    55.016  3.6269  55.966  2.9079  -0.9500237     4.648656 
1 1 1 -19 5   32 o 17.735  3.1719  46.975    14.689    46.076    24.508    47.478    18.351    17.469  4.9897  18.001  3.9174  -0.5312614     6.343750 
1 1 1 -19 5   33 o 19.388  3.0295  49.235    15.032    86.930    26.381    31.110    18.293    24.277  4.2096  14.499  4.3579  9.777620       6.059009 
1 1 1 -19 5   34 f 18.785  3.2128  52.119    15.174    59.077    26.952    48.890    18.361    19.428  5.1106  18.142  3.8949  1.286194       6.425615 
1 1 1 -19 5   35 o 15.704  4.2504  37.470    18.315    0.0000    0.0000    37.470    18.315    ?       ?       15.704  4.2504  ?              ?        
1 1 1 -19 5   36 o 17.697  3.3159  52.581    16.234    32.120    28.915    61.999    19.618    14.914  5.4948  20.479  3.7131  -5.565645      6.631794 
1 1 1 -19 5   37 o 10.166  3.0659  -0.9134   13.512    19.089    25.694    -8.5595   15.886    12.760  5.0561  7.5721  3.4691  5.188391       6.131747 
1 1 1 -19 5   38 o 10.347  3.0793  7.7497    13.785    -0.1672   26.051    10.829    16.246    10.530  4.6635  10.163  4.0225  0.3666172      6.158637 
1 1 1 -19 5   39 f 16.790  3.5169  50.061    17.253    33.553    31.921    56.874    20.506    14.597  5.6797  18.982  4.1491  -4.384742      7.033791 
1 1 1 -19 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 6   4  o 92.744  2.2787  1160.67   56.304    1044.17   80.737    1270.98   78.559    88.175  3.4185  97.312  3.0140  -9.136909      4.557434 
1 1 1 -19 6   5  o 134.227 2.8748  2421.68   103.333   2462.28   147.982   2383.05   144.356   135.322 4.0827  133.132 4.0482  2.190353       5.749507 
1 1 1 -19 6   6  o 246.504 4.7812  8229.40   315.634   8123.88   448.360   8333.07   444.415   244.908 6.8349  248.100 6.6876  -3.192551      9.562484 
1 1 1 -19 6   7  o 120.414 2.6801  1948.74   86.403    1948.54   124.050   1948.93   120.415   120.402 3.8466  120.427 3.7331  -0.2474976E-01 5.360231 
1 1 1 -19 6   8  o 142.965 3.0305  2750.92   115.990   2714.15   165.967   2786.02   162.169   142.019 4.3630  143.911 4.2071  -1.892181      6.060983 
1 1 1 -19 6   9  o 81.079  2.1436  883.322   46.462    868.149   67.513    896.974   64.039    80.410  3.1346  81.748  2.9247  -1.337532      4.287148 
1 1 1 -19 6   10 o 16.335  2.4176  38.104    10.207    45.408    13.810    29.310    15.152    18.162  2.9393  14.508  3.8394  3.654097       4.835289 
1 1 1 -19 6   11 o 54.782  1.8931  401.953   27.701    412.965   40.940    392.653   37.622    55.469  2.7555  54.094  2.5965  1.374634       3.786158 
1 1 1 -19 6   12 o 62.979  1.9661  529.698   33.077    581.950   48.775    485.206   45.008    65.841  2.7658  60.118  2.7951  5.722843       3.932168 
1 1 1 -19 6   13 o 71.820  2.0746  691.943   39.824    706.121   58.508    679.704   54.360    72.499  3.0129  71.142  2.8528  1.357620       4.149233 
1 1 1 -19 6   14 o 93.373  2.3632  1175.64   58.912    1126.82   85.715    1219.35   81.105    91.512  3.4970  95.234  3.1796  -3.721962      4.726354 
1 1 1 -19 6   15 o 95.425  2.3647  1222.54   60.360    1282.42   88.163    1169.71   82.812    97.616  3.3719  93.235  3.3161  4.380722       4.729306 
1 1 1 -19 6   16 f 76.737  2.1980  794.791   44.954    764.099   66.196    821.061   61.242    75.337  3.2805  78.136  2.9262  -2.799316      4.395941 
1 1 1 -19 6   17 o 82.029  2.2865  910.532   49.945    859.596   73.426    954.393   68.135    79.854  3.4329  84.204  3.0210  -4.350128      4.572910 
1 1 1 -19 6   18 o 65.757  2.0940  583.145   36.683    574.443   54.567    590.321   49.551    65.289  3.1203  66.226  2.7934  -0.9371338     4.188050 
1 1 1 -19 6   19 o 67.045  4.3001  612.712   76.814    612.712   76.814    0.0000    0.0000    67.045  4.3001  ?       ?       ?              ?        
1 1 1 -19 6   20 o 46.571  1.9992  293.877   24.579    291.132   37.334    295.977   32.654    46.343  3.0243  46.799  2.6154  -0.4560966     3.998319 
1 1 1 -19 6   21 o 65.352  2.1443  580.609   37.130    556.325   55.662    600.078   49.838    64.028  3.2564  66.675  2.7906  -2.647217      4.288536 
1 1 1 -19 6   22 o 7.2841  2.2139  -0.5810   7.6794    -2.4078   12.198    0.6185    9.8842    7.4314  3.2443  7.1369  3.0134  0.2944293      4.427847 
1 1 1 -19 6   23 o 79.246  2.2473  847.654   47.504    900.124   71.188    805.533   63.782    81.417  3.2644  77.076  3.0895  4.341331       4.494616 
1 1 1 -19 6   24 o 26.563  2.2380  96.307    15.253    101.116   24.510    93.268    19.487    27.035  3.4644  26.091  2.8340  0.9447250      4.475914 
1 1 1 -19 6   25 o 59.670  2.1062  477.078   33.339    543.794   51.204    427.980   43.926    63.265  3.0217  56.075  2.9348  7.190170       4.212324 
1 1 1 -19 6   26 o 82.781  2.3653  932.899   52.140    963.248   78.585    909.032   69.689    83.905  3.4967  81.657  3.1863  2.248581       4.730689 
1 1 1 -19 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 6   28 o 11.228  2.5240  7.3703    9.7145    35.590    17.000    -6.3142   11.838    15.717  4.0215  6.7391  3.0512  8.978310       5.048037 
1 1 1 -19 6   29 o 37.072  2.3501  193.743   22.288    178.004   35.506    203.978   28.632    35.610  3.7804  38.534  2.7930  -2.924217      4.700202 
1 1 1 -19 6   30 o 59.544  2.3185  490.056   36.181    498.134   57.064    484.625   46.788    59.721  3.5839  59.367  2.9424  0.3536415      4.637010 
1 1 1 -19 6   31 o 42.698  2.3125  249.670   25.659    279.132   41.698    231.714   32.552    44.552  3.5230  40.844  2.9964  3.708347       4.624914 
1 1 1 -19 6   32 o 33.951  2.4878  162.070   21.464    170.162   35.721    157.497   26.853    34.362  3.9531  33.540  3.0215  0.8221359      4.975551 
1 1 1 -19 6   33 o 25.181  2.9144  94.663    17.910    89.270    30.315    97.555    22.199    24.182  4.8491  26.180  3.2345  -1.998060      5.828897 
1 1 1 -19 6   34 o 16.190  3.2980  42.045    15.078    29.202    27.124    47.789    18.139    14.479  5.3239  17.901  3.8940  -3.421386      6.595958 
1 1 1 -19 6   35 o 19.625  5.6390  62.823    31.212    62.823    31.212    0.0000    0.0000    19.625  5.6390  ?       ?       ?              ?        
1 1 1 -19 6   36 o 17.110  3.4857  48.093    16.605    36.464    30.595    52.949    19.771    15.535  5.6629  18.685  4.0661  -3.150008      6.971493 
1 1 1 -19 6   37 o 11.371  3.2826  11.145    14.283    18.958    27.598    8.2876    16.692    12.870  5.1922  9.8713  4.0179  2.998768       6.565292 
1 1 1 -19 6   38 o 14.093  3.3331  32.712    15.822    10.515    29.351    41.805    18.786    11.949  5.1237  16.237  4.2645  -4.288610      6.666173 
1 1 1 -19 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 7   3  o 60.219  1.7842  485.610   28.737    523.840   41.494    450.372   39.837    62.494  2.4789  57.943  2.5668  4.551044       3.568366 
1 1 1 -19 7   4  o 88.071  2.2125  1039.64   52.124    1116.91   75.246    968.359   72.274    91.216  3.0798  84.927  3.1772  6.288834       4.424928 
1 1 1 -19 7   5  o 157.239 3.2394  3326.56   136.250   3569.55   195.244   3095.89   190.227   162.852 4.4761  151.627 4.6839  11.22519       6.478733 
1 1 1 -19 7   6  o 162.810 3.3480  3569.97   145.966   3576.24   208.867   3563.97   204.071   162.940 4.7858  162.680 4.6834  0.2599182      6.696087 
1 1 1 -19 7   7  o 141.728 3.0660  2711.61   116.019   2516.71   166.332   2896.28   161.908   136.720 4.5421  146.737 4.1195  -10.01732      6.131937 
1 1 1 -19 7   8  o 98.570  2.4203  1310.64   63.632    1220.01   92.104    1393.39   88.013    95.279  3.6090  101.860 3.2259  -6.580864      4.840639 
1 1 1 -19 7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 7   10 o 92.876  2.3419  1161.63   58.091    1115.74   84.393    1202.96   80.082    91.115  3.4580  94.637  3.1593  -3.521774      4.683885 
1 1 1 -19 7   11 o 45.008  1.8743  272.478   22.379    276.258   33.483    269.425   30.087    45.279  2.7742  44.737  2.5211  0.5414200      3.748638 
1 1 1 -19 7   12 o 62.085  1.9758  514.628   32.761    561.146   48.581    475.829   44.368    64.643  2.8058  59.527  2.7827  5.115368       3.951685 
1 1 1 -19 7   13 o 77.646  2.2091  816.328   45.585    746.797   66.885    876.641   62.294    74.514  3.3512  80.778  2.8791  -6.263763      4.418155 
1 1 1 -19 7   14 o 93.814  2.3438  1180.27   58.797    1264.53   86.082    1106.58   80.502    96.942  3.3152  90.686  3.3142  6.256081       4.687689 
1 1 1 -19 7   15 o 107.813 2.5314  1561.72   72.992    1672.99   106.500   1463.16   100.236   111.426 3.5684  104.201 3.5914  7.225815       5.062776 
1 1 1 -19 7   16 o 72.324  2.1645  705.590   41.717    688.522   61.788    719.889   56.554    71.498  3.2264  73.150  2.8864  -1.651863      4.329095 
1 1 1 -19 7   17 o 56.036  2.0670  428.537   30.506    385.196   45.623    463.585   41.027    53.364  3.2068  58.709  2.6090  -5.345737      4.134066 
1 1 1 -19 7   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 7   19 o 47.294  2.0131  303.569   25.107    296.329   38.156    309.097   33.343    46.755  3.0637  47.833  2.6124  -1.078068      4.026283 
1 1 1 -19 7   20 o 19.496  2.3789  53.504    11.671    49.886    18.494    55.899    15.045    18.841  3.7960  20.152  2.8683  -1.311333      4.757807 
1 1 1 -19 7   21 o 62.083  2.1489  525.685   35.266    496.032   53.038    549.185   47.215    60.404  3.2906  63.762  2.7646  -3.357986      4.297787 
1 1 1 -19 7   22 o 30.798  2.0985  128.947   16.831    133.325   26.374    125.939   21.863    31.191  3.2023  30.406  2.7130  0.7852764      4.197016 
1 1 1 -19 7   23 o 34.957  2.1076  168.230   19.133    159.576   29.777    174.316   24.969    34.104  3.3010  35.811  2.6214  -1.706291      4.215279 
1 1 1 -19 7   24 o 73.978  2.2631  743.007   44.534    757.950   67.319    731.378   59.386    74.575  3.3702  73.381  3.0214  1.193962       4.526260 
1 1 1 -19 7   25 o 31.921  2.2840  143.009   18.503    128.775   29.583    152.156   23.714    30.444  3.7042  33.399  2.6733  -2.955051      4.568085 
1 1 1 -19 7   26 o 86.158  2.3729  1004.78   54.452    1129.37   82.427    908.301   72.533    90.828  3.3881  81.489  3.3232  9.339523       4.745817 
1 1 1 -19 7   27 o 10.126  4.0972  6.7723    17.240    6.7723    17.240    0.0000    0.0000    10.126  4.0972  ?       ?       ?              ?        
1 1 1 -19 7   28 o 22.909  2.5727  68.993    14.737    100.193   24.900    52.174    18.282    26.710  3.5698  19.109  3.7056  7.600792       5.145415 
1 1 1 -19 7   29 o 21.474  2.7480  60.821    14.721    92.057    25.140    44.523    18.159    25.437  3.8068  17.510  3.9642  7.927019       5.496024 
1 1 1 -19 7   30 o 15.052  3.0213  27.140    12.894    54.343    22.613    14.035    15.696    19.146  4.4878  10.958  4.0464  8.188209       6.042670 
1 1 1 -19 7   31 o 45.868  2.3269  291.996   27.642    309.127   44.975    281.597   35.042    46.724  3.6220  45.013  2.9223  1.711212       4.653886 
1 1 1 -19 7   32 o 25.867  2.8779  98.774    18.212    95.569    30.895    100.481   22.547    25.136  4.7633  26.598  3.2311  -1.462599      5.755765 
1 1 1 -19 7   33 o 45.675  2.4307  292.538   28.570    317.449   47.373    278.299   35.816    46.873  3.8062  44.476  3.0244  2.397022       4.861490 
1 1 1 -19 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 7   35 o 17.640  3.2741  54.006    16.384    24.864    30.091    66.286    19.534    14.022  5.4983  21.257  3.5564  -7.234553      6.548239 
1 1 1 -19 7   36 o 19.870  3.5247  55.962    17.726    88.913    32.611    42.144    21.118    23.377  5.3269  16.362  4.6173  7.014713       7.049482 
1 1 1 -19 7   37 o 15.162  3.5367  28.268    15.797    62.260    30.363    15.652    18.498    19.067  5.5859  11.258  4.3394  7.808911       7.073380 
1 1 1 -19 7   38 o 23.503  3.5700  97.402    20.357    80.110    37.050    104.880   24.364    20.607  6.2038  26.398  3.5344  -5.791201      7.139980 
1 1 1 -19 8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 8   2  o 111.981 2.4788  1685.21   74.307    1667.83   106.575   1701.65   103.657   111.413 3.5714  112.550 3.4384  -1.137665      4.957569 
1 1 1 -19 8   3  o 53.795  1.8966  396.209   26.709    319.737   38.833    464.867   36.795    48.714  2.9906  58.875  2.3333  -10.16072      3.793151 
1 1 1 -19 8   4  o 69.289  2.0119  642.425   37.285    684.653   54.472    605.201   51.143    71.425  2.8473  67.153  2.8433  4.271881       4.023883 
1 1 1 -19 8   5  o 127.429 2.7804  2183.55   94.896    2161.69   134.142   2205.44   134.263   126.789 3.9500  128.070 3.9140  -1.281319      5.560734 
1 1 1 -19 8   6  o 63.850  1.8782  547.042   32.114    532.008   45.297    562.236   45.536    62.967  2.6858  64.734  2.6262  -1.766857      3.756382 
1 1 1 -19 8   7  o 84.307  2.2354  955.054   50.436    998.854   71.284    911.146   71.371    86.249  3.0857  82.364  3.2352  3.884399       4.470752 
1 1 1 -19 8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 8   9  o 185.993 3.7478  4672.93   186.668   4782.80   263.846   4562.83   264.131   188.202 5.2340  183.785 5.3656  4.417053       7.495677 
1 1 1 -19 8   10 o 132.921 2.9170  2379.94   103.813   2451.18   146.549   2308.19   147.079   134.930 4.0549  130.912 4.1945  4.018906       5.834098 
1 1 1 -19 8   11 o 36.809  1.7538  183.044   17.151    194.075   24.041    171.611   24.475    37.956  2.3767  35.663  2.5796  2.293415       3.507578 
1 1 1 -19 8   12 o 125.694 2.7841  2129.02   93.713    2168.00   132.174   2089.61   132.889   126.860 3.8898  124.528 3.9842  2.332634       5.568153 
1 1 1 -19 8   13 o 50.843  1.8424  348.234   24.999    365.670   35.064    330.208   35.652    52.182  2.5087  49.504  2.6990  2.678249       3.684841 
1 1 1 -19 8   14 o 111.947 2.5522  1688.88   76.513    1646.35   107.777   1732.09   108.640   110.520 3.6408  113.374 3.5776  -2.854057      5.104352 
1 1 1 -19 8   15 o 82.819  2.1605  923.203   47.925    914.937   67.425    931.643   68.133    82.444  3.0533  83.193  3.0576  -0.7487030     4.321071 
1 1 1 -19 8   16 o 77.614  2.1126  811.112   43.913    794.743   61.689    827.928   62.523    76.819  2.9981  78.409  2.9770  -1.590469      4.225117 
1 1 1 -19 8   17 o 56.787  4.1526  439.492   62.725    0.0000    0.0000    439.492   62.725    ?       ?       56.787  4.1526  ?              ?        
1 1 1 -19 8   18 o 55.136  1.8997  409.733   28.045    417.119   39.376    402.130   39.953    55.646  2.6418  54.627  2.7306  1.019783       3.799380 
1 1 1 -19 8   19 o 22.031  2.0569  67.554    11.577    81.556    16.285    53.248    16.461    24.475  2.5202  19.587  3.2516  4.887957       4.113879 
1 1 1 -19 8   20 o 49.712  1.8802  334.388   24.919    314.752   34.886    354.845   35.606    48.208  2.7128  51.217  2.6041  -3.009018      3.760382 
1 1 1 -19 8   21 o 45.455  1.8485  280.197   22.392    286.677   31.274    273.382   32.074    46.010  2.5477  44.901  2.6791  1.109482       3.697057 
1 1 1 -19 8   22 o 59.095  1.9448  472.526   30.779    460.680   43.181    484.760   43.882    58.339  2.7634  59.850  2.7374  -1.511227      3.889687 
1 1 1 -19 8   23 f 28.927  1.9123  114.197   14.637    112.183   20.304    116.377   21.119    28.665  2.6754  29.188  2.7332  -0.5232773     3.824637 
1 1 1 -19 8   24 o 48.856  1.9175  324.619   24.987    326.154   35.006    323.024   35.678    48.983  2.6783  48.729  2.7447  0.2545204      3.834964 
1 1 1 -19 8   25 o 44.149  1.9307  265.554   22.708    254.214   31.776    277.389   32.462    43.174  2.7623  45.124  2.6982  -1.950436      3.861403 
1 1 1 -19 8   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 8   27 o 57.398  2.7937  466.829   38.204    441.703   70.865    477.124   45.361    55.703  4.7964  59.094  2.8658  -3.390285      5.587382 
1 1 1 -19 8   28 o 20.958  2.9332  68.444    15.227    46.426    24.913    81.573    19.238    17.725  5.0198  24.191  3.0359  -6.466326      5.866421 
1 1 1 -19 8   29 f 17.745  3.0989  45.206    14.134    51.147    23.966    42.038    17.502    18.513  4.7949  16.977  3.9270  1.535971       6.197797 
1 1 1 -19 8   30 o 28.961  2.4915  112.616   18.279    145.349   31.234    95.566    22.543    31.931  3.7219  25.992  3.3134  5.938614       4.983076 
1 1 1 -19 8   31 o 43.069  2.4275  263.398   26.753    259.622   43.754    265.652   33.809    42.494  3.8872  43.645  2.9087  -1.150661      4.855023 
1 1 1 -19 8   32 o 10.243  2.7005  9.9974    11.640    -20.8837  21.959    22.065    13.727    8.1548  3.8484  12.332  3.7894  -4.177378      5.400938 
1 1 1 -19 8   33 o 27.463  2.9569  111.819   19.814    112.990   34.160    111.226   24.325    27.085  4.8885  27.841  3.3279  -0.7555637     5.913702 
1 1 1 -19 8   34 o 16.062  3.0357  44.727    16.161    -3.1673   29.619    65.031    19.285    11.057  4.9303  21.068  3.5432  -10.01121      6.071407 
1 1 1 -19 8   35 o 9.3041  2.8241  1.0104    13.148    -22.4139  24.357    10.643    15.619    8.5076  4.0265  10.101  3.9611  -1.593101      5.648244 
1 1 1 -19 8   36 o 22.286  3.4824  80.601    18.896    77.432    34.578    81.951    22.564    21.159  5.8864  23.414  3.7225  -2.255070      6.964703 
1 1 1 -19 8   37 o 21.881  3.5332  84.884    19.311    64.904    35.208    93.480    23.095    18.796  6.1078  24.967  3.5538  -6.170511      7.066454 
1 1 1 -19 9   1  o 151.871 3.0752  3104.66   125.093   3099.60   176.405   3109.77   177.417   151.748 4.3401  151.993 4.3579  -0.2453613     6.150452 
1 1 1 -19 9   2  o 67.809  1.8513  616.758   33.612    593.016   47.140    641.310   47.938    66.480  2.6473  69.137  2.5887  -2.656891      3.702660 
1 1 1 -19 9   3  o 164.081 3.3272  3627.12   146.222   3607.50   205.935   3647.07   207.654   163.635 4.6986  164.527 4.7121  -0.8919678     6.654348 
1 1 1 -19 9   4  o 93.158  2.2587  1165.38   56.355    1148.03   79.269    1183.11   80.134    92.456  3.2009  93.859  3.1875  -1.403000      4.517326 
1 1 1 -19 9   5  o 122.050 2.7214  2003.23   88.965    2000.11   125.737   2006.35   125.896   121.955 3.8492  122.145 3.8481  -0.1899796     5.442825 
1 1 1 -19 9   6  o 71.559  2.0231  687.552   38.764    708.103   54.818    666.998   54.821    72.631  2.8178  70.487  2.9037  2.144600       4.046195 
1 1 1 -19 9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 9   8  o 158.549 3.2890  3389.49   139.671   3360.03   197.459   3419.00   197.590   157.855 4.6701  159.243 4.6325  -1.387817      6.578007 
1 1 1 -19 9   9  o 169.707 3.4736  3888.69   157.861   3791.89   223.054   3985.82   223.446   167.575 4.9695  171.839 4.8547  -4.263962      6.947216 
1 1 1 -19 9   10 o 59.823  1.9631  481.203   31.408    509.460   44.291    452.624   44.544    61.597  2.6846  58.049  2.8649  3.548019       3.926125 
1 1 1 -19 9   11 o 54.995  1.8472  406.072   27.205    395.581   38.210    416.857   38.743    54.273  2.6285  55.716  2.5961  -1.442326      3.694415 
1 1 1 -19 9   12 o 75.013  2.0501  756.418   41.188    758.653   57.956    754.137   58.547    75.126  2.8802  74.899  2.9184  0.2276230      4.100262 
1 1 1 -19 9   13 o 35.570  1.8449  170.874   17.451    168.918   24.384    172.929   24.985    35.362  2.5925  35.778  2.6256  -0.4157715     3.689830 
1 1 1 -19 9   14 o 82.075  2.1266  906.593   46.749    896.060   65.737    917.369   66.494    81.592  3.0080  82.557  3.0070  -0.9646072     4.253253 
1 1 1 -19 9   15 o 86.238  2.2267  1002.12   51.432    989.846   72.319    1014.68   73.160    85.703  3.1504  86.772  3.1478  -1.068893      4.453495 
1 1 1 -19 9   16 o 27.177  1.8342  100.333   13.182    101.963   18.433    98.626    18.858    27.413  2.5392  26.941  2.6475  0.4717331      3.668385 
1 1 1 -19 9   17 o 33.043  2.0776  145.551   17.599    137.719   21.986    159.518   29.362    31.874  2.5979  34.213  3.2429  -2.339195      4.155163 
1 1 1 -19 9   18 o 48.061  1.8508  312.220   23.732    308.219   33.167    316.417   33.970    47.747  2.6032  48.375  2.6316  -0.6276932     3.701643 
1 1 1 -19 9   19 o 36.768  1.8292  183.583   17.866    191.390   24.925    175.333   25.623    37.594  2.4894  35.943  2.6808  1.651207       3.658440 
1 1 1 -19 9   20 o 39.553  1.8802  213.132   19.709    232.533   27.609    192.972   28.144    41.433  2.4995  37.672  2.8094  3.761513       3.760302 
1 1 1 -19 9   21 o 71.709  2.0614  696.680   39.589    684.585   55.558    709.158   56.427    71.076  2.9183  72.342  2.9121  -1.266167      4.122764 
1 1 1 -19 9   22 o 43.492  1.8714  257.003   21.684    258.998   30.225    254.888   31.127    43.678  2.5952  43.306  2.6969  0.3722801      3.742826 
1 1 1 -19 9   23 o 36.520  1.9019  181.520   18.436    166.614   25.637    197.486   26.532    34.945  2.7616  38.096  2.6160  -3.151722      3.803892 
1 1 1 -19 9   24 f 36.477  1.9363  181.633   18.768    181.019   26.065    182.295   27.047    36.425  2.6906  36.530  2.7853  -0.1049309     3.872632 
1 1 1 -19 9   25 o 49.013  4.4407  337.413   57.665    0.0000    0.0000    337.413   57.665    ?       ?       49.013  4.4407  ?              ?        
1 1 1 -19 9   26 o 14.873  2.4299  30.092    10.050    13.819    13.361    51.293    15.251    10.618  3.7582  19.129  3.0812  -8.510556      4.859786 
1 1 1 -19 9   27 o 27.167  2.1454  103.744   15.098    117.844   20.852    88.205    21.889    29.256  2.6912  25.079  3.3418  4.176439       4.290701 
1 1 1 -19 9   28 o 36.330  2.0384  182.468   19.645    170.393   27.517    195.020   28.054    35.068  2.9571  37.593  2.8064  -2.524513      4.076834 
1 1 1 -19 9   29 o 14.665  2.7306  31.383    10.890    28.354    15.117    34.652    15.702    13.946  3.8964  15.384  3.8266  -1.437104      5.461178 
1 1 1 -19 9   30 f 28.527  2.1218  114.532   15.917    119.123   22.017    109.504   23.038    29.196  2.8519  27.858  3.1424  1.337576       4.243584 
1 1 1 -19 9   31 o 9.7014  2.6599  8.8633    9.9949    4.3273    13.685    14.050    14.633    8.7245  3.6042  10.678  3.9127  -1.953808      5.319720 
1 1 1 -19 9   32 o 18.446  3.3374  48.491    15.359    65.008    28.851    41.959    18.144    20.222  5.2723  16.671  4.0933  3.551380       6.674773 
1 1 1 -19 9   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 9   34 o 11.309  3.1489  14.170    13.880    1.3447    25.917    19.328    16.436    10.790  4.7193  11.828  4.1701  -1.038532      6.297739 
1 1 1 -19 9   35 o 19.864  3.5762  64.216    18.118    62.595    33.090    64.910    21.652    19.104  5.8856  20.624  4.0641  -1.519291      7.152464 
1 1 1 -19 9   36 o 22.565  3.4982  81.194    19.091    89.060    35.343    77.953    22.686    22.534  5.8162  22.597  3.8884  -0.6305313E-01 6.996301 
1 1 1 -19 10  1  o 119.540 2.5856  1921.34   82.777    1945.67   116.642   1896.65   117.490   120.308 3.6197  118.773 3.6931  1.534554       5.171216 
1 1 1 -19 10  2  o 9.5444  1.6527  11.675    5.1957    24.142    7.2496    -1.4908   7.4503    13.254  2.1131  5.8348  2.5417  7.419107       3.305355 
1 1 1 -19 10  3  o 82.048  2.0944  903.646   46.023    886.492   64.526    921.410   65.662    81.256  2.9648  82.841  2.9592  -1.585251      4.188891 
1 1 1 -19 10  4  o 133.076 2.8527  2383.05   101.671   2336.36   143.310   2430.37   144.264   131.760 4.0607  134.393 4.0077  -2.633057      5.705352 
1 1 1 -19 10  5  o 83.787  2.1618  942.854   48.516    940.036   68.443    945.700   68.783    83.662  3.0543  83.913  3.0603  -0.2511673     4.323668 
1 1 1 -19 10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 10  7  o 65.230  1.9576  571.328   34.200    561.984   48.360    580.677   48.373    64.695  2.7908  65.765  2.7461  -1.069847      3.915270 
1 1 1 -19 10  8  o 84.083  2.1612  949.982   48.672    943.200   68.829    956.765   68.836    83.782  3.0671  84.384  3.0455  -0.6022797     4.322330 
1 1 1 -19 10  9  o 45.724  1.7791  281.703   21.671    263.094   30.547    300.560   30.749    44.190  2.5921  47.257  2.4376  -3.066879      3.558237 
1 1 1 -19 10  10 o 119.878 2.7278  1936.71   87.585    1955.76   123.825   1917.64   123.903   120.472 3.8374  119.284 3.8780  1.187775       5.455678 
1 1 1 -19 10  11 o 71.802  2.0885  693.443   40.153    713.265   56.706    673.510   56.863    72.836  2.9066  70.768  2.9999  2.067917       4.177066 
1 1 1 -19 10  12 o 76.791  2.0818  793.250   42.819    793.601   60.378    792.894   60.735    76.810  2.9348  76.773  2.9535  0.3634644E-01  4.163668 
1 1 1 -19 10  13 f 63.446  1.9721  541.527   33.511    543.020   47.123    539.998   47.666    63.537  2.7690  63.356  2.8089  0.1810608      3.944229 
1 1 1 -19 10  14 o 90.110  2.2640  1094.70   54.642    1096.95   76.968    1092.42   77.586    90.206  3.1856  90.014  3.2180  0.1925583      4.528060 
1 1 1 -19 10  15 o 105.569 2.4588  1505.90   69.525    1500.22   97.980    1511.65   98.669    105.370 3.4716  105.768 3.4829  -0.3974762     4.917591 
1 1 1 -19 10  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 10  17 o 92.102  2.3225  1148.52   57.270    1179.57   80.651    1116.93   81.338    93.375  3.2247  90.828  3.3434  2.547096       4.645083 
1 1 1 -19 10  18 o 25.058  1.9280  86.282    12.632    94.907    17.585    77.085    18.158    26.410  2.5163  23.705  2.9217  2.705400       3.855933 
1 1 1 -19 10  19 o 25.791  1.9655  91.555    13.248    101.744   18.482    80.789    18.999    27.335  2.5540  24.248  2.9884  3.086355       3.931094 
1 1 1 -19 10  20 o 63.304  2.0004  542.753   33.915    545.436   47.636    539.995   48.296    63.470  2.8021  63.139  2.8558  0.3306503      4.000879 
1 1 1 -19 10  21 o 34.059  1.8959  158.376   17.109    168.197   23.939    148.122   24.462    35.173  2.5586  32.946  2.7986  2.227329       3.791869 
1 1 1 -19 10  22 o 18.120  2.3191  46.112    10.822    46.849    14.896    45.288    15.748    18.305  3.1518  17.934  3.4027  0.3706570      4.638137 
1 1 1 -19 10  23 o 50.689  1.9473  349.782   26.331    344.661   36.703    355.214   37.797    50.312  2.7339  51.066  2.7738  -0.7543488     3.894586 
1 1 1 -19 10  24 o 90.982  2.3566  1134.28   57.424    1139.12   80.801    1129.33   81.626    91.193  3.3080  90.770  3.3574  0.4232864      4.713244 
1 1 1 -19 10  25 o 66.355  2.4865  602.823   42.268    590.046   52.594    626.128   71.028    65.684  2.9894  67.027  3.9741  -1.343185      4.972929 
1 1 1 -19 10  26 o 23.610  2.1961  77.149    13.474    67.679    18.191    88.658    20.054    21.970  3.1841  25.250  3.0254  -3.279665      4.392210 
1 1 1 -19 10  27 o 16.738  2.6481  41.287    11.558    46.726    15.488    34.449    17.365    18.112  3.3147  15.364  4.1306  2.747985       5.296124 
1 1 1 -19 10  28 o 29.977  2.0959  125.163   16.594    123.038   22.928    127.501   24.048    29.726  2.9172  30.228  3.0102  -0.5020580     4.191817 
1 1 1 -19 10  29 o 11.705  2.3250  13.272    9.6518    -7.0644   12.870    39.411    14.591    6.9270  3.1540  16.484  3.4169  -9.556675      4.650042 
1 1 1 -19 10  30 o 27.537  2.2116  107.025   15.986    101.701   21.717    113.323   23.617    26.807  3.0805  28.268  3.1740  -1.461300      4.423154 
1 1 1 -19 10  31 o 20.905  2.5204  64.148    13.515    67.936    18.399    59.707    19.918    21.727  3.2623  20.082  3.8428  1.644415       5.040822 
1 1 1 -19 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 10  33 o 34.377  2.1793  167.822   19.827    158.096   27.257    178.751   28.892    33.310  3.0902  35.444  3.0738  -2.133942      4.358628 
1 1 1 -19 10  34 o 15.353  2.8705  37.199    12.843    51.754    17.376    19.678    19.066    18.619  3.6146  12.086  4.4603  6.533212       5.741068 
1 1 1 -19 10  35 f 13.963  3.5300  30.448    16.001    17.874    33.884    34.057    18.153    13.228  5.5819  14.698  4.3228  -1.469983      7.060086 
1 1 1 -19 11  1  o 113.995 2.5328  1747.71   77.314    1784.03   108.925   1710.83   109.756   115.196 3.5302  112.795 3.6329  2.400833       5.065589 
1 1 1 -19 11  2  o 79.621  2.0578  851.455   43.874    863.131   61.651    839.474   62.451    80.177  2.8708  79.065  2.9489  1.112038       4.115546 
1 1 1 -19 11  3  o 35.330  1.7112  168.365   16.085    172.830   22.568    163.755   22.932    35.814  2.3659  34.847  2.4730  0.9673080      3.422495 
1 1 1 -19 11  4  o 48.212  3.8527  314.771   49.336    0.0000    0.0000    314.771   49.336    ?       ?       48.212  3.8527  ?              ?        
1 1 1 -19 11  5  o 131.883 3.4182  2332.36   114.687   2298.93   141.118   2397.38   196.826   130.658 4.0323  133.107 5.5207  -2.448914      6.836479 
1 1 1 -19 11  6  o 62.303  1.9540  521.291   32.604    530.396   46.153    512.219   46.067    62.848  2.7417  61.759  2.7848  1.088917       3.907966 
1 1 1 -19 11  7  o 81.853  2.1413  900.407   46.946    904.277   66.473    896.556   66.310    82.029  3.0254  81.677  3.0310  0.3514709      4.282582 
1 1 1 -19 11  8  o 39.166  1.7870  206.810   18.645    209.975   26.489    203.702   26.248    39.465  2.5190  38.867  2.5352  0.5983315      3.573926 
1 1 1 -19 11  9  o 90.279  2.2599  1096.52   54.646    1095.13   77.309    1097.91   77.255    90.221  3.1991  90.336  3.1928  -0.1153107     4.519777 
1 1 1 -19 11  10 o 22.744  1.9474  70.619    11.600    66.440    16.429    74.774    16.382    22.049  2.8485  23.440  2.6562  -1.391239      3.894754 
1 1 1 -19 11  11 o 67.529  2.0384  613.990   36.819    651.029   52.090    577.005   52.051    69.575  2.7952  65.483  2.9677  4.092300       4.076762 
1 1 1 -19 11  12 o 21.507  1.9633  63.233    11.026    67.819    15.767    58.844    15.426    22.294  2.6950  20.719  2.8556  1.575670       3.926547 
1 1 1 -19 11  13 o 50.313  1.8503  341.554   24.846    347.566   35.065    335.493   35.209    50.763  2.5875  49.863  2.6457  0.8997879      3.700673 
1 1 1 -19 11  14 f 59.945  1.9237  484.025   30.884    488.043   43.516    479.947   43.839    60.198  2.6988  59.692  2.7419  0.5067368      3.847332 
1 1 1 -19 11  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 11  16 o 58.879  1.9394  467.818   30.583    470.220   43.022    465.365   43.482    59.035  2.7208  58.722  2.7645  0.3126259      3.878832 
1 1 1 -19 11  17 o 55.749  1.9328  420.469   28.800    429.083   40.444    411.608   41.020    56.373  2.6786  55.126  2.7872  1.246868       3.865617 
1 1 1 -19 11  18 o 50.527  1.8713  345.791   25.232    338.156   35.335    353.735   36.043    49.956  2.6502  51.099  2.6425  -1.142544      3.742537 
1 1 1 -19 11  19 o 62.164  1.9893  523.381   33.119    525.651   46.525    521.049   47.155    62.307  2.7878  62.021  2.8386  0.2858162      3.978599 
1 1 1 -19 11  20 o 56.101  1.9557  427.481   29.298    446.788   41.190    407.711   41.681    57.442  2.6772  54.761  2.8516  2.680981       3.911406 
1 1 1 -19 11  21 o 62.423  2.0216  529.351   33.781    542.080   47.371    516.179   48.187    63.205  2.7981  61.641  2.9186  1.563816       4.043219 
1 1 1 -19 11  22 o 82.560  2.2689  930.281   50.172    923.030   70.499    937.722   71.417    82.238  3.2005  82.882  3.2170  -0.6438751     4.537892 
1 1 1 -19 11  23 o 38.652  1.9270  204.070   19.802    192.531   27.735    216.068   28.282    37.517  2.7798  39.787  2.6693  -2.269791      3.853912 
1 1 1 -19 11  24 o 79.549  4.9344  899.097   104.619   899.097   104.619   0.0000    0.0000    79.549  4.9344  ?       ?       ?              ?        
1 1 1 -19 11  25 o 30.952  2.0159  131.824   16.447    116.180   22.689    149.145   23.874    28.970  2.9659  32.934  2.7311  -3.964052      4.031777 
1 1 1 -19 11  26 o 7.5558  2.2777  -2.1153   8.4237    -9.0720   11.372    6.3411    12.538    6.2210  2.8805  8.8906  3.5291  -2.669570      4.555401 
1 1 1 -19 11  27 f 22.870  2.2763  73.781    13.542    69.184    18.788    78.751    19.536    22.098  3.2732  23.643  3.1643  -1.544773      4.552677 
1 1 1 -19 11  28 o 27.461  2.1856  107.516   15.515    121.065   21.250    92.047    22.705    29.506  2.7194  25.415  3.4222  4.090384       4.371124 
1 1 1 -19 11  29 f 22.058  2.5075  70.345    14.102    54.504    19.387    88.147    20.551    19.205  3.9019  24.911  3.1505  -5.705721      5.014996 
1 1 1 -19 11  30 o 10.077  2.5941  9.0502    10.117    -3.7281   14.072    22.722    14.556    7.6563  3.4073  12.497  3.9125  -4.840932      5.188176 
1 1 1 -19 11  31 o 31.446  3.2424  141.379   26.918    0.0000    0.0000    141.379   26.918    ?       ?       31.446  3.2424  ?              ?        
1 1 1 -19 11  32 o 9.4010  2.6403  8.2137    9.9067    8.6367    13.416    7.7064    14.691    9.3522  3.6700  9.4498  3.7968  -0.9762001E-01 5.280547 
1 1 1 -19 11  33 o 14.130  2.9993  30.802    12.388    35.017    16.697    25.640    18.476    15.114  4.0448  13.147  4.4297  1.966611       5.998565 
1 1 1 -19 11  34 o 9.0789  2.6496  5.5214    10.626    10.047    14.319    -0.0271   15.854    9.6798  3.7936  8.4779  3.7000  1.201938       5.299151 
1 1 1 -19 11  35 o 10.812  2.7946  13.464    11.661    27.063    16.308    -0.7639   16.681    13.129  4.1459  8.4955  3.7486  4.633118       5.589272 
1 1 1 -19 12  1  o 137.865 2.8897  2560.11   106.704   2568.52   150.338   2551.57   151.474   138.098 4.0644  137.633 4.1089  0.4649506      5.779474 
1 1 1 -19 12  2  o 38.256  2.0041  196.719   19.560    200.802   32.755    194.457   24.385    38.521  3.2037  37.991  2.4088  0.5304909      4.008213 
1 1 1 -19 12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 12  4  o 84.410  2.1766  957.541   49.197    926.771   69.250    988.896   69.906    83.038  3.1136  85.782  3.0425  -2.744957      4.353262 
1 1 1 -19 12  5  o 116.045 2.6500  1813.42   82.368    1820.40   116.363   1806.40   116.608   116.271 3.7364  115.819 3.7589  0.4517212      5.300017 
1 1 1 -19 12  6  o 50.836  1.8896  347.811   25.653    365.401   36.333    330.326   36.224    52.161  2.6006  49.511  2.7422  2.649567       3.779244 
1 1 1 -19 12  7  o 93.246  2.3291  1170.12   58.168    1187.27   82.423    1153.10   82.103    93.930  3.2761  92.563  3.3115  1.366364       4.658227 
1 1 1 -19 12  8  o 29.919  1.8398  121.185   14.589    126.083   20.720    116.369   20.545    30.528  2.5575  29.309  2.6455  1.219027       3.679644 
1 1 1 -19 12  9  o 30.666  1.9260  128.586   15.320    158.921   21.885    99.436    21.453    34.313  2.3963  27.018  3.0159  7.294456       3.851990 
1 1 1 -19 12  10 o 55.672  1.9071  416.856   28.433    425.778   40.251    407.971   40.170    56.269  2.6707  55.075  2.7230  1.193684       3.814134 
1 1 1 -19 12  11 o 102.138 2.4620  1408.05   67.350    1425.55   95.264    1390.56   95.231    102.777 3.4605  101.498 3.5029  1.278824       4.924015 
1 1 1 -19 12  12 o 40.281  1.8051  219.195   19.373    223.393   27.418    215.010   27.377    40.671  2.5294  39.891  2.5760  0.7797318      3.610251 
1 1 1 -19 12  13 o 87.759  2.2679  1040.40   53.284    1077.69   75.338    1003.09   75.372    89.346  3.1481  86.172  3.2655  3.173950       4.535887 
1 1 1 -19 12  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 12  15 o 11.943  2.3676  19.862    7.9698    23.629    11.143    15.916    11.404    12.960  3.2234  10.926  3.4686  2.034370       4.735113 
1 1 1 -19 12  16 o 32.517  1.8748  144.225   16.096    160.143   22.709    128.156   22.817    34.367  2.4837  30.667  2.8090  3.700600       3.749595 
1 1 1 -19 12  17 o 46.698  1.8797  295.800   23.406    300.915   32.861    290.533   33.346    47.119  2.6140  46.277  2.7019  0.8414459      3.759418 
1 1 1 -19 12  18 o 55.367  1.9430  415.925   28.735    432.290   40.416    399.196   40.863    56.522  2.6696  54.212  2.8239  2.310421       3.886046 
1 1 1 -19 12  19 o 102.445 2.4972  1433.15   68.522    1427.07   96.510    1439.33   97.304    102.230 3.5246  102.660 3.5387  -0.4305267     4.994464 
1 1 1 -19 12  20 o 38.385  1.8879  200.656   19.289    199.299   27.109    202.048   27.452    38.255  2.6622  38.516  2.6777  -0.2604866     3.775885 
1 1 1 -19 12  21 o 41.930  1.9188  240.357   21.364    257.903   29.927    222.122   30.508    43.537  2.5778  40.323  2.8429  3.214096       3.837607 
1 1 1 -19 12  22 o 46.852  1.9444  299.544   24.286    296.110   33.854    303.184   34.858    46.582  2.7252  47.121  2.7741  -0.5390892     3.888734 
1 1 1 -19 12  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 12  24 f 41.196  1.9797  233.549   21.671    245.210   30.307    221.348   30.999    42.295  2.6892  40.098  2.9060  2.196770       3.959351 
1 1 1 -19 12  25 o 15.325  2.7039  34.110    11.032    34.124    14.929    34.093    16.375    15.349  3.6791  15.302  3.9635  0.4729462E-01  5.407890 
1 1 1 -19 12  26 o 20.038  2.4505  57.507    12.664    58.583    17.619    56.358    18.216    20.272  3.3628  19.804  3.5653  0.4677048      4.900958 
1 1 1 -19 12  27 o 32.499  2.0562  147.101   17.683    136.916   24.455    158.260   25.599    31.294  2.9524  33.704  2.8627  -2.409428      4.112402 
1 1 1 -19 12  28 o 38.416  2.0599  206.726   21.005    211.422   29.171    201.669   30.272    38.924  2.8170  37.907  3.0062  1.017914       4.119761 
1 1 1 -19 12  29 o 21.429  2.4706  66.836    13.648    68.355    18.708    65.107    19.955    21.777  3.3116  21.081  3.6672  0.6959343      4.941128 
1 1 1 -19 12  30 o 33.605  2.1252  159.829   18.911    158.334   26.178    161.461   27.350    33.472  2.9500  33.737  3.0599  -0.2651825     4.250396 
1 1 1 -19 12  31 o 19.237  3.8537  55.356    19.165    55.356    19.165    0.0000    0.0000    19.237  3.8537  ?       ?       ?              ?        
1 1 1 -19 12  32 o 27.997  2.3690  113.766   17.371    114.289   23.848    113.175   25.352    28.146  3.2214  27.849  3.4743  0.2969437      4.737996 
1 1 1 -19 12  33 o 12.384  2.9594  21.787    12.497    32.797    17.116    9.2159    18.289    14.516  4.1772  10.252  4.1931  4.263696       5.918708 
1 1 1 -19 12  34 f 13.831  3.0565  30.311    12.827    37.086    17.919    23.193    18.368    15.229  4.2378  12.432  4.4057  2.797687       6.113032 
1 1 1 -19 13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 13  2  o 52.649  1.7997  372.138   25.374    362.600   35.678    381.900   36.095    51.965  2.5633  53.332  2.5268  -1.367039      3.599357 
1 1 1 -19 13  3  o 57.308  1.8703  441.042   28.706    436.027   40.251    446.233   40.951    56.977  2.6375  57.639  2.6525  -0.6620255     3.740649 
1 1 1 -19 13  4  o 146.234 3.1228  2888.37   122.314   2862.20   172.585   2914.78   173.376   145.565 4.4264  146.902 4.4063  -1.336823      6.245688 
1 1 1 -19 13  5  o 91.966  2.3214  1138.46   57.169    1105.13   80.651    1172.12   81.047    90.607  3.3232  93.325  3.2423  -2.717194      4.642869 
1 1 1 -19 13  6  o 115.259 2.6252  1791.30   81.043    1795.67   114.655   1786.94   114.570   115.400 3.7094  115.118 3.7157  0.2820206      5.250309 
1 1 1 -19 13  7  o 53.937  1.8997  391.604   27.392    402.409   38.873    380.948   38.604    54.713  2.6526  53.161  2.7202  1.552830       3.799466 
1 1 1 -19 13  8  o 26.254  1.9334  93.677    13.387    98.141    19.090    89.359    18.778    26.882  2.6872  25.625  2.7805  1.256964       3.866858 
1 1 1 -19 13  9  o 36.916  1.8366  184.272   18.032    177.110   25.542    191.387   25.460    36.190  2.6535  37.642  2.5400  -1.452339      3.673236 
1 1 1 -19 13  10 o 25.257  1.9428  87.117    12.830    99.222    18.282    75.371    18.009    27.039  2.5546  23.475  2.9278  3.564419       3.885602 
1 1 1 -19 13  11 o 59.476  1.9404  476.521   30.911    472.162   43.678    480.895   43.753    59.203  2.7544  59.750  2.7339  -0.5476189     3.880857 
1 1 1 -19 13  12 o 37.832  1.8301  193.645   18.428    200.008   26.250    187.463   25.876    38.451  2.5634  37.213  2.6126  1.238136       3.660162 
1 1 1 -19 13  13 o 62.204  2.7702  522.116   46.156    522.116   46.156    0.0000    0.0000    62.204  2.7702  ?       ?       ?              ?        
1 1 1 -19 13  14 o 53.515  1.9436  387.338   27.800    396.262   39.262    378.365   39.370    54.176  2.7057  52.853  2.7909  1.322739       3.887130 
1 1 1 -19 13  15 o 41.183  1.8494  229.969   20.294    231.871   28.686    228.063   28.715    41.357  2.6029  41.009  2.6280  0.3471527      3.698861 
1 1 1 -19 13  16 o 12.483  2.3865  21.727    8.3849    15.020    11.790    28.591    11.927    10.730  3.5368  14.236  3.2052  -3.505570      4.773060 
1 1 1 -19 13  17 o 10.341  2.4053  13.881    7.7686    11.349    10.992    16.408    10.981    9.7021  3.4113  10.980  3.3917  -1.278242      4.810523 
1 1 1 -19 13  18 o 44.372  1.9165  268.102   22.633    282.805   31.874    253.149   32.145    45.627  2.6191  43.117  2.7985  2.510632       3.832927 
1 1 1 -19 13  19 o 39.532  1.9092  212.812   20.052    195.441   27.983    231.146   28.747    37.847  2.7799  41.216  2.6176  -3.369595      3.818303 
1 1 1 -19 13  20 f 17.509  2.3710  43.329    10.706    44.829    14.905    41.730    15.387    17.855  3.2357  17.162  3.4666  0.6936951      4.742038 
1 1 1 -19 13  21 o 19.312  2.3704  53.234    11.643    39.736    16.438    66.824    16.493    16.657  3.7719  21.967  2.8719  -5.309805      4.740752 
1 1 1 -19 13  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 13  23 o 49.813  1.9812  340.490   26.324    338.223   36.936    342.830   37.527    49.650  2.7887  49.976  2.8149  -0.3267937     3.962399 
1 1 1 -19 13  24 o 30.223  2.0750  126.651   16.579    121.917   23.162    131.624   23.740    29.631  2.9579  30.815  2.9108  -1.184122      4.149933 
1 1 1 -19 13  25 o 7.1169  2.1908  -3.7754   8.2560    4.2275    11.472    -12.3722  11.890    8.1941  3.3327  6.0397  2.8447  2.154396       4.381637 
1 1 1 -19 13  26 o 11.185  2.5940  16.272    9.7235    25.813    13.309    5.3472    14.241    13.301  3.6329  9.0696  3.7037  4.231591       5.187981 
1 1 1 -19 13  27 o 24.020  2.3266  82.698    14.497    90.384    20.387    74.836    20.620    25.261  3.0765  22.778  3.4910  2.483316       4.653168 
1 1 1 -19 13  28 o 14.429  2.7294  30.255    11.183    18.825    15.232    43.620    16.470    11.692  4.0210  17.165  3.6920  -5.472243      5.458870 
1 1 1 -19 13  29 o 35.445  2.1550  179.249   20.064    200.528   27.994    156.769   28.773    37.796  2.7848  33.095  3.2895  4.701077       4.309973 
1 1 1 -19 13  30 o 10.781  3.9983  14.475    15.357    14.475    15.357    0.0000    0.0000    10.781  3.9983  ?       ?       ?              ?        
1 1 1 -19 13  31 o 7.3228  2.3280  -5.6593   9.5492    -9.9765   12.767    -0.1768   14.387    6.4973  3.0234  8.1484  3.5408  -1.651087      4.655981 
1 1 1 -19 13  32 o 17.488  2.9222  47.949    13.562    55.495    18.767    39.700    19.622    19.133  3.7961  15.843  4.4437  3.290028       5.844415 
1 1 1 -19 13  33 o 31.618  2.2848  146.224   19.043    137.749   26.018    156.002   27.946    30.638  3.2186  32.598  3.2438  -1.959454      4.569625 
1 1 1 -19 14  1  o 47.331  1.7828  301.760   22.517    307.162   31.873    296.377   31.816    47.757  2.5004  46.904  2.5420  0.8527184      3.565621 
1 1 1 -19 14  2  o 93.379  2.2709  1174.72   56.735    1229.06   79.843    1119.30   80.632    95.575  3.1189  91.182  3.3015  4.392807       4.541739 
1 1 1 -19 14  3  f 130.529 2.8136  2299.77   98.328    2211.74   138.341   2389.65   139.784   127.990 4.0354  133.068 3.9219  -5.077888      5.627223 
1 1 1 -19 14  4  o 31.446  1.8369  133.945   15.303    143.262   21.664    124.666   21.620    32.558  2.5034  30.335  2.6887  2.222963       3.673757 
1 1 1 -19 14  5  o 68.553  2.0337  632.357   37.325    607.089   52.607    657.971   52.965    67.169  2.9240  69.938  2.8274  -2.768913      4.067482 
1 1 1 -19 14  6  o 108.535 2.5491  1589.82   74.103    1574.87   104.750   1604.80   104.846   108.020 3.6204  109.049 3.5896  -1.028778      5.098276 
1 1 1 -19 14  7  o 72.982  2.1104  717.530   41.246    701.037   58.391    733.955   58.270    72.140  3.0219  73.824  2.9469  -1.684799      4.220895 
1 1 1 -19 14  8  o 73.619  2.0973  730.301   41.354    742.177   58.611    718.528   58.357    74.218  2.9483  73.021  2.9837  1.197342       4.194667 
1 1 1 -19 14  9  o 49.218  1.9083  327.169   25.056    335.532   35.598    318.958   35.273    49.846  2.6760  48.589  2.7212  1.257214       3.816561 
1 1 1 -19 14  10 o 51.034  1.9039  351.870   25.910    379.337   36.746    324.709   36.541    53.070  2.5851  48.999  2.7958  4.071381       3.807761 
1 1 1 -19 14  11 o 28.721  4.4393  115.021   33.050    0.0000    0.0000    115.021   33.050    ?       ?       28.721  4.4393  ?              ?        
1 1 1 -19 14  12 o 56.409  1.9133  429.569   28.892    412.147   40.780    447.127   40.938    55.252  2.7556  57.566  2.6551  -2.313488      3.826562 
1 1 1 -19 14  13 o 24.685  1.9608  83.360    12.719    88.996    18.131    77.899    17.848    25.531  2.6919  23.838  2.8519  1.692806       3.921670 
1 1 1 -19 14  14 o 27.569  1.9068  103.734   13.895    106.420   19.624    101.033   19.679    27.938  2.6543  27.199  2.7384  0.7383194      3.813642 
1 1 1 -19 14  15 o 45.672  1.8861  283.151   22.963    272.959   32.334    293.523   32.617    44.831  2.7054  46.513  2.6288  -1.681568      3.772270 
1 1 1 -19 14  16 o 38.362  1.8795  200.191   19.193    199.134   27.116    201.252   27.170    38.260  2.6627  38.465  2.6533  -0.2059135     3.758999 
1 1 1 -19 14  17 o 67.874  2.0612  625.745   37.472    618.094   52.811    633.503   53.178    67.453  2.9230  68.294  2.9071  -0.8408432     4.122500 
1 1 1 -19 14  18 o 55.728  1.9769  422.356   29.459    422.091   41.472    422.625   41.852    55.750  2.7773  55.707  2.8140  0.4268265E-01  3.953748 
1 1 1 -19 14  19 o 9.5337  2.3180  8.5200    8.1368    20.168    11.587    -2.8134   11.429    11.984  3.4335  7.0833  3.1151  4.900846       4.636000 
1 1 1 -19 14  20 o 11.990  2.5721  19.738    9.2379    13.358    13.175    25.908    12.956    10.501  3.7303  13.478  3.5423  -2.977330      5.144221 
1 1 1 -19 14  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 14  22 o 39.753  1.9665  217.225   20.805    214.460   29.159    220.092   29.693    39.497  2.7738  40.009  2.7882  -0.5120926     3.932951 
1 1 1 -19 14  23 o 16.628  2.6011  40.062    11.283    42.433    15.900    37.657    16.013    17.158  3.5757  16.098  3.7784  1.059910       5.202126 
1 1 1 -19 14  24 o 10.332  2.6562  12.582    9.6017    16.079    13.619    9.1262    13.539    11.054  3.8022  9.6095  3.7101  1.444195       5.312342 
1 1 1 -19 14  25 o 42.127  2.0275  246.800   22.734    243.725   31.696    250.057   32.625    41.868  2.8433  42.385  2.8910  -0.5165329     4.054915 
1 1 1 -19 14  26 f 16.611  2.6766  40.847    11.638    40.844    16.203    40.850    16.729    16.629  3.7297  16.593  3.8400  0.3582001E-01  5.353168 
1 1 1 -19 14  27 o 18.742  2.6483  51.950    12.829    51.199    18.036    52.719    18.253    18.600  3.7497  18.885  3.7408  -0.2849522     5.296596 
1 1 1 -19 14  28 o 18.208  2.7449  50.171    12.974    56.743    17.831    42.778    18.912    19.672  3.5130  16.745  4.2186  2.927525       5.489779 
1 1 1 -19 14  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 14  30 o 11.636  2.8718  18.612    11.379    24.962    15.400    10.978    16.886    12.913  4.0214  10.360  4.1008  2.552796       5.743525 
1 1 1 -19 14  31 o 16.714  3.0610  43.673    13.845    38.128    18.981    49.978    20.239    15.560  4.3728  17.867  4.2845  -2.307047      6.121936 
1 1 1 -19 14  32 o 11.579  2.8335  18.482    11.539    29.270    15.896    6.4631    16.778    13.666  4.0523  9.4917  3.9615  4.174170       5.666978 
1 1 1 -19 15  1  o 51.809  1.8255  361.991   25.203    394.144   35.659    329.898   35.625    54.159  2.4581  49.459  2.6994  4.699913       3.650919 
1 1 1 -19 15  2  o 23.616  2.0251  76.946    12.108    100.538   17.478    55.177    16.789    27.247  2.4200  19.985  3.2478  7.261566       4.050294 
1 1 1 -19 15  3  o 60.739  1.9357  496.154   31.483    479.987   44.143    512.891   44.916    59.730  2.7592  61.748  2.7157  -2.017769      3.871455 
1 1 1 -19 15  4  o 30.075  1.8862  122.678   15.014    114.896   21.136    130.604   21.331    29.093  2.7448  31.056  2.5880  -1.962767      3.772453 
1 1 1 -19 15  5  o 105.456 2.5260  1502.26   71.335    1461.86   100.591   1543.13   101.177   104.021 3.6104  106.893 3.5338  -2.871986      5.052023 
1 1 1 -19 15  6  o 41.869  1.8750  237.146   20.860    216.091   29.343    258.661   29.661    39.965  2.7580  43.772  2.5408  -3.807446      3.749980 
1 1 1 -19 15  7  o 83.511  2.2095  941.354   49.406    914.511   69.864    968.208   69.878    82.310  3.1689  84.711  3.0797  -2.400475      4.418919 
1 1 1 -19 15  8  o 62.566  1.9887  527.859   33.324    520.555   47.198    535.119   47.055    62.130  2.8362  63.001  2.7885  -0.8703690     3.977399 
1 1 1 -19 15  9  o 49.001  1.9032  324.793   24.876    316.404   35.207    333.155   35.152    48.360  2.7291  49.641  2.6534  -1.281139      3.806394 
1 1 1 -19 15  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 15  11 o 31.363  1.8853  133.740   15.686    135.179   22.297    132.331   22.072    31.531  2.6651  31.194  2.6673  0.3368015      3.770576 
1 1 1 -19 15  12 o 40.573  1.8657  223.665   20.117    206.518   28.449    240.811   28.449    38.988  2.7417  42.158  2.5312  -3.169308      3.731444 
1 1 1 -19 15  13 o 30.975  1.9067  130.843   15.641    123.492   22.089    138.234   22.150    30.081  2.7728  31.870  2.6179  -1.789639      3.813392 
1 1 1 -19 15  14 o 61.057  1.9901  505.328   32.542    513.626   46.036    497.039   46.008    61.564  2.7918  60.550  2.8368  1.013817       3.980104 
1 1 1 -19 15  15 o 18.222  2.2578  46.576    10.584    52.437    15.037    40.822    14.899    19.431  2.9846  17.013  3.3887  2.418242       4.515595 
1 1 1 -19 15  16 o 37.275  1.9181  189.453   19.012    195.950   26.974    183.038   26.801    37.923  2.6727  36.627  2.7520  1.295998       3.836212 
1 1 1 -19 15  17 o 27.552  2.0203  104.864   14.552    90.340    20.632    119.243   20.528    25.570  3.0741  29.535  2.6222  -3.964958      4.040541 
1 1 1 -19 15  18 o 45.957  1.9443  288.315   23.818    294.846   33.708    281.802   33.661    46.488  2.7190  45.425  2.7799  1.062420       3.888529 
1 1 1 -19 15  19 o 31.081  1.9773  132.726   16.284    134.680   23.041    130.776   23.016    31.317  2.7756  30.845  2.8169  0.4719906      3.954603 
1 1 1 -19 15  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 15  21 o 45.289  1.9867  282.092   23.978    284.283   33.729    279.854   34.092    45.479  2.7823  45.099  2.8367  0.3794670      3.973444 
1 1 1 -19 15  22 o 40.119  2.0380  222.891   21.716    232.191   30.328    213.106   31.109    41.028  2.7761  39.209  2.9845  1.818817       4.076044 
1 1 1 -19 15  23 o 27.218  2.1793  103.979   15.594    108.036   22.019    99.897    22.088    27.786  3.0066  26.650  3.1557  1.136082       4.358670 
1 1 1 -19 15  24 o 22.959  2.3834  75.873    13.979    91.499    19.901    60.654    19.639    25.507  2.9684  20.411  3.7298  5.096132       4.766839 
1 1 1 -19 15  25 o 26.235  2.2586  98.163    15.485    105.100   21.711    90.981    22.091    27.270  3.0232  25.200  3.3564  2.070704       4.517160 
1 1 1 -19 15  26 o 19.038  2.6474  53.630    13.003    44.138    18.074    63.815    18.721    17.129  4.0102  20.947  3.4574  -3.817886      5.294826 
1 1 1 -19 15  27 o 14.342  2.8491  31.346    11.884    41.034    16.231    20.149    17.449    16.567  3.7457  12.117  4.2941  4.450078       5.698164 
1 1 1 -19 15  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 15  29 o 13.483  3.0198  27.295    12.232    24.290    16.727    30.751    17.935    12.804  4.2123  14.162  4.3281  -1.357802      6.039536 
1 1 1 -19 15  30 o 8.3099  2.5397  0.8701    10.351    1.3180    14.375    0.3877    14.917    8.3061  3.5743  8.3137  3.6091  -0.7602692E-02 5.079444 
1 1 1 -19 15  31 o 10.001  2.7960  10.297    11.305    4.5321    15.970    16.087    16.005    9.0542  3.8270  10.947  4.0774  -1.892991      5.592063 
1 1 1 -19 16  1  o 29.131  1.8832  115.095   14.495    125.612   20.770    105.110   20.238    30.451  2.5705  27.810  2.7530  2.640699       3.766495 
1 1 1 -19 16  2  o 75.236  2.0696  762.581   41.705    757.721   58.645    767.554   59.320    74.995  2.9195  75.478  2.9342  -0.4827957     4.139223 
1 1 1 -19 16  3  o 52.650  1.8948  374.118   26.631    370.494   37.425    377.836   37.903    52.392  2.6758  52.908  2.6834  -0.5168228     3.789533 
1 1 1 -19 16  4  o 124.445 2.7774  2098.99   92.558    2041.42   130.383   2157.47   131.418   122.710 3.9669  126.180 3.8884  -3.469612      5.554823 
1 1 1 -19 16  5  o 26.486  1.8957  95.439    13.219    86.234    18.441    105.168   18.958    25.143  2.7851  27.829  2.5725  -2.686483      3.791371 
1 1 1 -19 16  6  o 50.609  1.9249  346.368   25.984    333.244   36.683    359.583   36.810    49.636  2.7703  51.583  2.6734  -1.947212      3.849891 
1 1 1 -19 16  7  o 59.577  1.9902  479.043   31.758    476.254   44.908    481.833   44.918    59.402  2.8225  59.752  2.8066  -0.3494873     3.980404 
1 1 1 -19 16  8  o 71.787  4.5336  707.957   86.725    0.0000    0.0000    707.957   86.725    ?       ?       71.787  4.5336  ?              ?        
1 1 1 -19 16  9  o 23.848  2.3646  78.674    14.212    78.924    18.025    78.263    23.106    23.996  2.8609  23.701  3.7657  0.2954788      4.729181 
1 1 1 -19 16  10 o 120.824 2.7454  1992.82   88.847    2007.18   125.961   1978.59   125.339   121.260 3.8782  120.388 3.8870  0.8716888      5.490798 
1 1 1 -19 16  11 o 25.613  2.0114  89.994    13.524    97.804    19.222    82.338    19.031    26.752  2.7205  24.474  2.9636  2.278366       4.022895 
1 1 1 -19 16  12 o 49.970  1.9527  339.241   26.023    352.776   37.005    326.000   36.602    50.969  2.7204  48.971  2.8021  1.998772       3.905470 
1 1 1 -19 16  13 o 56.882  1.9799  438.823   30.165    443.385   42.788    434.314   42.533    57.178  2.7939  56.587  2.8062  0.5910263      3.959887 
1 1 1 -19 16  14 o 35.022  1.9414  167.459   18.028    180.784   25.672    154.496   25.321    36.428  2.6493  33.617  2.8387  2.811043       3.882897 
1 1 1 -19 16  15 o 56.934  2.0106  441.498   30.560    414.620   43.134    468.585   43.302    55.129  2.9317  58.740  2.7522  -3.611092      4.021151 
1 1 1 -19 16  16 o 64.044  2.0586  558.670   35.313    562.314   49.932    555.024   49.947    64.257  2.9012  63.831  2.9214  0.4252968      4.117188 
1 1 1 -19 16  17 o 15.680  2.5474  35.401    10.594    44.460    14.955    26.274    15.011    17.751  3.2658  13.610  3.9105  4.140352       5.094826 
1 1 1 -19 16  18 o 38.468  1.9573  202.854   20.031    201.713   28.195    204.016   28.464    38.360  2.7626  38.576  2.7733  -0.2160034     3.914517 
1 1 1 -19 16  19 o 18.505  5.6020  50.708    30.149    50.708    30.149    0.0000    0.0000    18.505  5.6020  ?       ?       ?              ?        
1 1 1 -19 16  20 o 32.069  2.0688  142.424   17.574    140.995   24.738    143.879   24.972    31.905  2.9274  32.234  2.9242  -0.3284245     4.137652 
1 1 1 -19 16  21 o 53.282  2.0722  392.644   29.457    394.758   41.479    390.493   41.840    53.440  2.9088  53.125  2.9520  0.3148727      4.144362 
1 1 1 -19 16  22 o 34.446  2.0707  165.554   18.788    143.149   26.275    188.996   26.876    31.959  3.1088  36.934  2.7362  -4.975296      4.141438 
1 1 1 -19 16  23 o 8.7276  2.4654  5.0795    8.8884    0.0074    12.143    10.933    13.045    7.6379  3.2860  9.8173  3.6763  -2.179341      4.930773 
1 1 1 -19 16  24 o 24.581  2.3381  86.733    14.838    72.970    20.708    101.255   21.271    22.416  3.5686  26.747  3.0221  -4.330830      4.676296 
1 1 1 -19 16  25 o 22.548  2.4514  74.485    14.130    87.390    19.879    61.308    20.087    24.762  3.0626  20.335  3.8285  4.427286       4.902711 
1 1 1 -19 16  26 o 10.929  2.8133  15.374    10.660    15.051    14.661    15.736    15.526    10.806  3.9230  11.052  4.0333  -0.2467384     5.626530 
1 1 1 -19 16  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 16  28 f 8.3462  2.4566  -1.0717   10.161    12.578    14.021    -16.1723  14.747    10.166  3.8104  6.5265  3.1017  3.639471       4.913182 
1 1 1 -19 16  29 o 18.137  2.9203  51.080    13.876    47.841    19.448    54.440    19.804    17.496  4.2025  18.778  4.0560  -1.281908      5.840554 
1 1 1 -19 16  30 o 31.114  2.3274  142.851   19.069    148.156   26.666    137.299   27.279    31.809  3.1721  30.419  3.4066  1.390306       4.654833 
1 1 1 -19 17  1  o 30.323  1.8642  124.841   14.936    137.887   21.342    112.317   20.910    31.905  2.5178  28.740  2.7498  3.164946       3.728386 
1 1 1 -19 17  2  o 72.377  2.0613  707.403   39.918    739.739   56.205    674.491   56.702    74.062  2.8333  70.692  2.9946  3.370415       4.122522 
1 1 1 -19 17  3  o 48.188  1.8645  313.869   23.973    311.027   33.723    316.772   34.087    47.968  2.6349  48.409  2.6389  -0.4415817     3.729085 
1 1 1 -19 17  4  o 66.834  2.0257  602.949   36.239    573.956   50.890    632.775   51.616    65.195  2.9143  68.474  2.8143  -3.278084      4.051318 
1 1 1 -19 17  5  f 22.526  2.0463  70.131    11.893    82.205    16.851    58.147    16.788    24.554  2.6019  20.499  3.1592  4.054861       4.092691 
1 1 1 -19 17  6  o 37.799  2.2384  198.270   21.487    181.827   35.008    208.208   27.216    36.403  3.6392  39.195  2.6073  -2.791916      4.476810 
1 1 1 -19 17  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 17  8  o 90.102  2.3778  1103.45   57.386    1106.88   81.204    1100.02   81.109    90.244  3.3595  89.961  3.3661  0.2825089      4.755688 
1 1 1 -19 17  9  o 46.784  1.9537  297.463   24.353    284.330   34.453    310.576   34.428    45.733  2.8265  47.836  2.6980  -2.102417      3.907456 
1 1 1 -19 17  10 o 23.075  2.0916  73.399    12.628    72.849    17.968    73.936    17.753    22.982  2.9897  23.169  2.9259  -0.1872921     4.183232 
1 1 1 -19 17  11 o 33.969  1.9764  157.516   17.820    161.572   25.313    153.532   25.090    34.412  2.7698  33.527  2.8201  0.8842392      3.952812 
1 1 1 -19 17  12 o 36.676  1.9536  183.488   19.028    194.936   27.158    172.449   26.668    37.821  2.6986  35.531  2.8255  2.290123       3.907193 
1 1 1 -19 17  13 o 51.795  1.9901  365.948   27.462    343.762   38.895    388.000   38.778    50.195  2.9054  53.396  2.7204  -3.200932      3.980232 
1 1 1 -19 17  14 o 26.871  2.0787  99.484    14.711    97.203    20.876    101.733   20.734    26.549  2.9876  27.192  2.8911  -0.6429405     4.157413 
1 1 1 -19 17  15 o 93.025  2.4286  1188.38   60.495    1223.44   85.664    1153.51   85.442    94.425  3.3870  91.625  3.4815  2.800461       4.857252 
1 1 1 -19 17  16 o 43.136  1.9740  254.751   22.684    256.989   32.114    252.522   32.046    43.329  2.7818  42.943  2.8014  0.3862724      3.948006 
1 1 1 -19 17  17 o 50.877  2.8468  354.993   38.639    0.0000    0.0000    354.993   38.639    ?       ?       50.877  2.8468  ?              ?        
1 1 1 -19 17  18 o 15.561  2.7677  33.411    11.642    23.150    15.136    48.276    18.218    12.837  3.9850  18.285  3.8419  -5.448269      5.535360 
1 1 1 -19 17  19 o 43.002  2.0234  255.677   23.121    272.811   32.586    238.303   32.813    44.512  2.7466  41.493  2.9721  3.018810       4.046875 
1 1 1 -19 17  20 f 12.685  2.7051  22.109    10.529    33.069    15.079    11.682    14.708    15.046  3.7539  10.323  3.8958  4.722582       5.410116 
1 1 1 -19 17  21 f 24.362  2.3704  85.274    14.704    66.100    20.671    104.913   20.921    21.342  3.7531  27.382  2.8964  -6.040226      4.740804 
1 1 1 -19 17  22 o 11.776  2.7852  19.184    10.373    21.720    14.692    16.665    14.646    12.326  3.9396  11.226  3.9382  1.099920       5.570472 
1 1 1 -19 17  23 o 34.900  2.1083  171.856   19.483    161.613   27.616    182.005   27.490    33.797  3.0847  36.003  2.8746  -2.206486      4.216517 
1 1 1 -19 17  24 o 12.806  2.9233  23.749    11.488    19.740    15.906    28.120    16.609    11.907  4.1081  13.705  4.1600  -1.798476      5.846546 
1 1 1 -19 17  25 o 23.250  2.4797  78.926    14.861    67.980    20.643    90.702    21.411    21.425  3.7329  25.076  3.2653  -3.650597      4.959500 
1 1 1 -19 17  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 17  27 o 11.572  2.8750  17.293    11.620    27.693    16.666    7.4543    16.209    13.489  4.1805  9.6540  3.9478  3.835235       5.749978 
1 1 1 -19 17  28 o 40.614  2.2087  238.609   23.780    252.647   33.325    224.046   33.942    41.966  2.9841  39.262  3.2570  2.704056       4.417393 
1 1 1 -19 17  29 o 18.369  2.8667  53.775    14.010    72.983    19.994    35.246    19.638    22.007  3.5099  14.731  4.5334  7.276457       5.733374 
1 1 1 -19 18  1  o 83.211  2.1718  937.328   48.350    981.828   68.091    892.074   68.666    85.228  2.9828  81.194  3.1574  4.033913       4.343516 
1 1 1 -19 18  2  o 44.054  1.8465  262.748   21.677    250.639   30.466    275.163   30.848    43.014  2.6573  45.094  2.5646  -2.079731      3.693067 
1 1 1 -19 18  3  o 16.873  2.2541  39.806    9.8125    39.911    14.012    39.705    13.746    16.891  3.2146  16.855  3.1608  0.3509712E-01  4.508257 
1 1 1 -19 18  4  o 44.657  2.2618  276.415   25.619    255.245   42.235    288.740   32.225    43.148  3.6899  46.167  2.6168  -3.019112      4.523609 
1 1 1 -19 18  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 18  6  o 15.592  2.3812  34.687    9.7319    44.706    13.754    24.642    13.772    17.932  2.9674  13.252  3.7249  4.679656       4.762372 
1 1 1 -19 18  7  o 77.579  2.2238  817.936   46.203    831.987   65.300    803.850   65.383    78.256  3.1153  76.901  3.1743  1.355530       4.447618 
1 1 1 -19 18  8  o 39.585  1.9358  213.312   20.398    210.920   28.764    215.732   28.930    39.359  2.7457  39.811  2.7295  -0.4522743     3.871566 
1 1 1 -19 18  9  o 35.646  1.9693  173.386   18.652    175.819   26.472    170.988   26.284    35.898  2.7747  35.394  2.7952  0.5041733      3.938546 
1 1 1 -19 18  10 o 31.773  1.9756  138.184   16.624    144.416   23.448    131.886   23.573    32.517  2.7171  31.029  2.8688  1.487810       3.951267 
1 1 1 -19 18  11 o 50.484  2.0118  347.862   27.054    327.624   38.304    368.009   38.218    48.985  2.9329  51.983  2.7546  -2.998352      4.023622 
1 1 1 -19 18  12 o 39.225  1.9735  210.238   20.597    212.880   29.198    207.622   29.061    39.474  2.7792  38.975  2.8025  0.4993095      3.946907 
1 1 1 -19 18  13 o 30.448  2.0920  127.663   16.829    121.659   23.809    133.656   23.789    29.704  3.0352  31.191  2.8800  -1.486643      4.184056 
1 1 1 -19 18  14 o 51.955  2.0383  369.541   28.251    363.710   39.979    375.356   39.927    51.535  2.9082  52.376  2.8569  -0.8409729     4.076683 
1 1 1 -19 18  15 o 28.957  2.1057  116.119   16.055    124.426   22.657    107.741   22.754    30.047  2.8493  27.867  3.1011  2.179905       4.211308 
1 1 1 -19 18  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 18  17 o 29.251  2.1196  118.884   16.321    130.327   23.380    108.010   22.793    30.677  2.8791  27.825  3.1115  2.851795       4.239156 
1 1 1 -19 18  18 o 14.326  2.6177  28.695    10.917    46.499    15.980    13.113    14.950    17.997  3.4404  10.654  3.9462  7.343331       5.235326 
1 1 1 -19 18  19 o 10.354  2.5134  9.4012    9.8120    -5.6191   13.525    26.088    14.256    7.3172  3.2919  13.391  3.7989  -6.073942      5.026746 
1 1 1 -19 18  20 o 16.645  2.6735  40.812    11.649    39.671    16.463    41.957    16.487    16.396  3.8196  16.895  3.7419  -0.4984703     5.347090 
1 1 1 -19 18  21 o 14.887  2.7341  32.963    11.197    41.310    15.926    24.803    15.747    16.737  3.6548  13.037  4.0674  3.700481       5.468245 
1 1 1 -19 18  22 o 24.552  2.3482  86.812    15.028    90.599    21.200    82.987    21.307    25.147  3.2214  23.958  3.4173  1.189798       4.696308 
1 1 1 -19 18  23 o 10.045  2.6773  11.191    10.071    5.4168    14.464    16.624    14.030    9.0310  3.7153  11.059  3.8560  -2.027771      5.354646 
1 1 1 -19 18  24 o 15.308  2.7711  34.730    12.470    15.259    17.268    55.946    18.026    11.169  4.2198  19.447  3.5931  -8.277486      5.542265 
1 1 1 -19 18  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 18  26 o 8.2699  2.5373  -2.6106   10.932    7.8066    15.453    -13.0497  15.469    9.5451  3.8731  6.9948  3.2787  2.550310       5.074537 
1 1 1 -19 18  27 o 31.630  2.3388  146.518   19.517    149.968   27.643    143.089   27.560    32.037  3.2672  31.224  3.3475  0.8123417      4.677639 
1 1 1 -19 18  28 o 12.149  2.9616  21.312    12.172    31.495    17.566    11.907    16.882    14.013  4.2835  10.285  4.0910  3.727747       5.923238 
1 1 1 -19 19  1  o 47.681  1.8736  308.801   23.766    333.719   33.547    283.692   33.675    49.647  2.5311  45.715  2.7631  3.931717       3.747208 
1 1 1 -19 19  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 19  3  o 16.408  4.8628  37.919    22.896    37.919    22.896    0.0000    0.0000    16.408  4.8628  ?       ?       ?              ?        
1 1 1 -19 19  4  o 10.219  2.3332  12.811    7.7228    5.4286    10.784    20.584    11.065    8.3328  3.2838  12.105  3.3153  -3.772260      4.666309 
1 1 1 -19 19  5  o 60.811  2.0384  501.747   33.200    494.518   46.727    509.116   47.179    60.366  2.8899  61.255  2.8755  -0.8885040     4.076799 
1 1 1 -19 19  6  o 39.915  1.9351  216.949   20.560    212.613   28.775    221.473   29.388    39.506  2.7362  40.324  2.7371  -0.8179398     3.870227 
1 1 1 -19 19  7  o 69.159  2.1431  650.889   39.670    619.091   55.759    683.483   56.451    67.428  3.0874  70.890  2.9730  -3.462364      4.286109 
1 1 1 -19 19  8  f 18.143  2.3897  46.556    11.152    39.602    15.733    53.578    15.810    16.688  3.6237  19.599  3.1161  -2.910641      4.779313 
1 1 1 -19 19  9  o 52.016  2.0293  369.198   28.158    360.629   39.785    377.798   39.857    51.399  2.9017  52.633  2.8377  -1.234367      4.058592 
1 1 1 -19 19  10 o 11.066  2.5875  15.844    9.0463    20.231    12.949    11.662    12.643    12.081  3.6745  10.052  3.6440  2.028444       5.175028 
1 1 1 -19 19  11 o 48.215  2.0161  317.974   25.904    305.519   36.642    330.418   36.624    47.247  2.9096  49.183  2.7917  -1.935314      4.032228 
1 1 1 -19 19  12 o 57.359  2.1153  450.922   32.378    463.733   45.925    438.261   45.654    58.186  2.9565  56.531  3.0260  1.654430       4.230569 
1 1 1 -19 19  13 o 39.473  2.0382  214.105   21.393    221.483   30.370    206.837   30.141    40.166  2.8413  38.781  2.9231  1.384968       4.076453 
1 1 1 -19 19  14 o 41.121  2.0331  232.778   22.217    248.180   31.556    217.639   31.285    42.509  2.7869  39.732  2.9609  2.777134       4.066175 
1 1 1 -19 19  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 19  16 o 14.027  2.7743  28.617    10.876    31.525    15.109    25.489    15.667    14.714  3.8052  13.341  4.0383  1.373808       5.548629 
1 1 1 -19 19  17 o 46.629  2.0939  301.985   25.990    316.924   36.801    287.119   36.711    47.825  2.8864  45.433  3.0342  2.392014       4.187772 
1 1 1 -19 19  18 o 13.410  2.5644  24.218    11.240    46.085    15.816    1.9060    15.976    17.852  3.4323  8.9682  3.8111  8.884080       5.128863 
1 1 1 -19 19  19 o 36.946  2.1395  192.816   20.639    232.122   29.457    154.912   28.926    40.858  2.7070  33.033  3.3139  7.824196       4.278996 
1 1 1 -19 19  20 o 23.432  2.4326  79.752    14.704    71.138    21.066    87.936    20.533    22.041  3.6994  24.823  3.1600  -2.781446      4.865294 
1 1 1 -19 19  21 o 20.005  2.6748  61.096    13.638    39.998    19.478    81.388    19.102    16.140  4.3895  23.869  3.0580  -7.729500      5.349697 
1 1 1 -19 19  22 o 11.842  2.7972  19.395    10.740    26.859    15.346    12.229    15.036    13.380  3.9847  10.305  3.9269  3.075233       5.594435 
1 1 1 -19 19  23 o 22.459  2.6266  74.863    15.222    79.267    21.400    70.353    21.657    23.230  3.5522  21.687  3.8701  1.542753       5.253218 
1 1 1 -19 19  24 o 16.901  4.2341  44.243    19.127    44.243    19.127    0.0000    0.0000    16.901  4.2341  ?       ?       ?              ?        
1 1 1 -19 19  25 f 17.554  2.9013  48.101    13.679    62.992    19.474    33.600    19.217    20.480  3.6856  14.629  4.4818  5.850735       5.802592 
1 1 1 -19 19  26 o 9.2392  2.6124  3.4797    11.112    -13.4911  16.227    18.465    15.248    7.1168  3.3429  11.362  4.0154  -4.244904      5.224842 
1 1 1 -19 19  27 o 9.2836  2.5880  4.0823    10.689    -10.9512  14.800    20.470    15.453    6.9011  3.2259  11.666  4.0479  -4.764984      5.176065 
1 1 1 -19 20  1  o 45.646  1.8918  283.488   22.997    298.955   32.454    267.889   32.593    46.923  2.5923  44.370  2.7561  2.552670       3.783647 
1 1 1 -19 20  2  o 50.160  1.9185  342.063   25.678    336.737   36.198    347.458   36.432    49.762  2.7262  50.558  2.7001  -0.7954369     3.836980 
1 1 1 -19 20  3  o 48.565  1.9443  320.965   25.185    314.247   35.425    327.830   35.811    48.045  2.7645  49.084  2.7347  -1.038944      3.888568 
1 1 1 -19 20  4  o 19.617  2.2150  53.677    11.247    53.265    15.843    54.097    15.967    19.539  3.1332  19.694  3.1318  -0.1553440     4.430027 
1 1 1 -19 20  5  o 43.844  1.9535  262.215   22.775    241.314   31.963    283.773   32.461    42.035  2.8558  45.653  2.6662  -3.617851      3.906965 
1 1 1 -19 20  6  o 49.717  2.0018  337.146   26.540    327.171   37.257    347.424   37.817    48.961  2.8533  50.473  2.8084  -1.511982      4.003603 
1 1 1 -19 20  7  f 65.982  2.1278  593.666   37.598    577.916   52.876    609.774   53.472    65.088  3.0330  66.877  2.9851  -1.789055      4.255573 
1 1 1 -19 20  8  o 58.125  2.0995  461.865   32.552    426.873   45.817    497.534   46.258    55.820  3.0763  60.430  2.8579  -4.609993      4.198905 
1 1 1 -19 20  9  o 34.285  2.0297  161.396   18.466    163.049   26.040    159.723   26.190    34.470  2.8459  34.100  2.8947  0.3696709      4.059374 
1 1 1 -19 20  10 o 51.353  2.0529  361.566   28.076    337.443   39.559    386.051   39.854    49.584  2.9926  53.121  2.8110  -3.536659      4.105777 
1 1 1 -19 20  11 o 33.574  2.0786  155.457   18.475    165.532   26.261    145.583   25.997    34.687  2.8518  32.461  3.0248  2.226086       4.157204 
1 1 1 -19 20  12 o 24.683  2.2571  85.165    14.565    82.167    20.519    88.211    20.679    24.222  3.2442  25.144  3.1389  -0.9218102     4.514164 
1 1 1 -19 20  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 20  14 o 20.510  2.4932  60.511    13.121    68.669    18.397    52.065    18.718    22.062  3.2071  18.958  3.8183  3.103556       4.986434 
1 1 1 -19 20  15 o 23.477  2.3812  78.264    14.438    89.913    20.756    67.344    20.096    25.286  3.1315  21.668  3.5881  3.617819       4.762442 
1 1 1 -19 20  16 o 38.998  2.1433  212.915   22.120    192.717   31.310    233.044   31.256    37.054  3.1857  40.942  2.8683  -3.887928      4.286698 
1 1 1 -19 20  17 o 12.346  2.2589  13.557    10.809    47.899    15.492    -19.0149  15.088    18.226  3.2947  6.4666  3.0911  11.75952       4.517725 
1 1 1 -19 20  18 o 44.298  2.1149  275.639   24.930    288.937   35.551    262.772   34.970    45.388  2.9400  43.209  3.0410  2.179657       4.229863 
1 1 1 -19 20  19 o 14.978  2.9541  34.029    12.371    38.288    17.374    29.649    17.620    15.907  4.0632  14.049  4.2892  1.857318       5.908237 
1 1 1 -19 20  20 o 17.082  2.8782  44.384    13.009    40.026    18.338    48.800    18.459    16.172  4.1971  17.992  3.9395  -1.820309      5.756319 
1 1 1 -19 20  21 o 17.326  2.9038  46.022    13.385    37.051    18.843    55.161    19.018    15.482  4.3589  19.170  3.8377  -3.688067      5.807615 
1 1 1 -19 20  22 o 35.805  3.1782  183.952   30.163    0.0000    0.0000    183.952   30.163    ?       ?       35.805  3.1782  ?              ?        
1 1 1 -19 20  23 o 26.119  2.4908  100.466   16.951    106.228   23.985    94.715    23.960    26.957  3.3973  25.281  3.6435  1.675514       4.981653 
1 1 1 -19 20  24 o 20.812  2.8889  67.629    15.471    53.720    22.137    80.908    21.630    18.336  4.5330  23.287  3.5826  -4.950365      5.777843 
1 1 1 -19 20  25 o 30.317  2.4218  136.484   19.314    133.758   26.875    139.397   27.776    30.020  3.4024  30.613  3.4475  -0.5927639     4.843689 
1 1 1 -19 21  1  o 37.632  1.9355  193.522   19.293    215.773   27.581    172.203   26.997    39.797  2.6017  35.467  2.8664  4.330372       3.871036 
1 1 1 -19 21  2  o 41.864  1.9334  239.266   21.547    248.656   30.450    229.850   30.493    42.707  2.6755  41.021  2.7919  1.685654       3.866881 
1 1 1 -19 21  3  f 14.186  2.5785  28.720    9.8527    29.309    13.790    28.105    14.082    14.331  3.5977  14.040  3.6947  0.2916918      5.156976 
1 1 1 -19 21  4  o 41.418  1.9494  234.335   21.500    231.713   30.168    237.041   30.650    41.183  2.7506  41.653  2.7629  -0.4692268     3.898707 
1 1 1 -19 21  5  o 40.093  1.9691  220.029   20.998    228.312   29.582    211.618   29.811    40.878  2.7172  39.309  2.8507  1.569016       3.938265 
1 1 1 -19 21  6  o 55.065  2.0484  414.778   30.096    401.104   42.299    428.798   42.830    54.131  2.9283  55.999  2.8651  -1.867996      4.096740 
1 1 1 -19 21  7  o 12.963  2.4518  22.671    9.9793    40.299    14.031    4.6257    14.196    16.877  3.2214  9.0497  3.6969  7.827459       4.903555 
1 1 1 -19 21  8  o 70.272  2.2121  677.486   41.632    663.987   58.611    691.234   59.147    69.556  3.1459  70.988  3.1107  -1.431870      4.424189 
1 1 1 -19 21  9  o 42.533  2.0594  248.848   23.319    250.613   32.905    247.068   33.051    42.692  2.8947  42.374  2.9300  0.3176422      4.118752 
1 1 1 -19 21  10 o 45.147  2.0715  280.777   24.914    279.559   35.214    281.997   35.254    45.046  2.9346  45.247  2.9245  -0.2012215     4.143003 
1 1 1 -19 21  11 o 56.883  3.0182  446.772   45.822    0.0000    0.0000    446.772   45.822    ?       ?       56.883  3.0182  ?              ?        
1 1 1 -19 21  12 o 10.890  3.9116  14.609    14.526    14.609    14.526    0.0000    0.0000    10.890  3.9116  ?       ?       ?              ?        
1 1 1 -19 21  13 o 27.489  2.3602  108.757   16.316    77.720    23.052    139.912   23.096    23.204  3.8434  31.774  2.7406  -8.569828      4.720459 
1 1 1 -19 21  14 o 40.382  2.1289  227.699   22.844    220.591   32.522    234.622   32.094    39.718  3.0812  41.046  2.9387  -1.327477      4.257871 
1 1 1 -19 21  15 o 15.328  2.8763  34.898    12.042    30.851    16.774    39.202    17.298    14.424  4.1307  16.232  4.0035  -1.807985      5.752499 
1 1 1 -19 21  16 o 10.226  2.6724  10.828    10.143    2.6588    13.936    20.033    14.792    8.5182  3.5863  11.933  3.9629  -3.415292      5.344742 
1 1 1 -19 21  17 o 34.792  2.2384  172.283   20.555    188.410   29.203    156.449   28.938    36.512  3.0130  33.073  3.3112  3.439636       4.476863 
1 1 1 -19 21  18 o 16.541  2.8532  41.744    12.599    35.612    18.055    47.564    17.590    15.257  4.2567  17.825  3.8005  -2.567714      5.706401 
1 1 1 -19 21  19 o 18.030  2.9616  49.830    14.061    44.262    19.709    55.602    20.067    16.915  4.3314  19.145  4.0402  -2.230488      5.923206 
1 1 1 -19 21  20 o 10.319  2.8381  11.029    11.486    16.801    16.233    5.2425    16.253    11.285  4.1232  9.3529  3.9010  1.932248       5.676167 
1 1 1 -19 21  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 21  22 o 23.577  2.6907  83.701    16.387    78.928    23.264    88.401    23.087    22.799  3.9529  24.355  3.6516  -1.556347      5.381432 
1 1 1 -19 21  23 o 9.4875  2.6703  5.4955    11.012    -6.6196   15.284    18.574    15.880    7.5295  3.4316  11.446  4.0921  -3.916105      5.340536 
1 1 1 -19 21  24 o 13.577  2.9108  26.796    12.968    47.715    18.892    8.1574    17.832    17.290  4.1352  9.8642  4.0978  7.425347       5.821644 
1 1 1 -19 22  1  f 30.839  1.9871  130.620   16.230    134.363   23.092    126.965   22.816    31.286  2.7847  30.393  2.8356  0.8937798      3.974294 
1 1 1 -19 22  2  o 18.120  2.4534  47.200    11.404    61.118    16.216    33.583    16.039    20.956  2.9723  15.283  3.9041  5.673246       4.906805 
1 1 1 -19 22  3  o 37.774  2.0001  196.520   19.964    219.166   28.144    173.584   28.323    40.043  2.6388  35.506  3.0064  4.536877       4.000235 
1 1 1 -19 22  4  o 40.574  1.9998  225.938   21.578    235.536   30.469    216.281   30.564    41.466  2.7591  39.682  2.8956  1.783813       3.999610 
1 1 1 -19 22  5  o 18.403  2.5170  48.742    11.906    34.874    16.652    63.245    17.029    15.535  3.9832  21.272  3.0782  -5.737403      5.034024 
1 1 1 -19 22  6  o 20.706  2.4080  60.613    12.889    61.478    18.130    59.728    18.325    20.874  3.3565  20.539  3.4537  0.3354740      4.815990 
1 1 1 -19 22  7  o 71.542  2.2302  704.767   42.727    685.232   60.145    724.670   60.709    70.522  3.1841  72.561  3.1237  -2.039192      4.460456 
1 1 1 -19 22  8  o 29.476  2.1645  120.895   16.736    105.881   23.365    136.712   23.982    27.515  3.2319  31.436  2.8802  -3.920378      4.329082 
1 1 1 -19 22  9  o 34.746  2.1278  167.610   19.601    162.917   27.709    172.309   27.731    34.239  3.0535  35.254  2.9642  -1.015808      4.255646 
1 1 1 -19 22  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 22  11 o 30.828  2.2328  133.631   18.090    146.483   25.566    120.744   25.601    32.405  2.9788  29.251  3.3268  3.154297       4.465510 
1 1 1 -19 22  12 o 9.2432  2.5581  7.0061    9.4762    1.0011    13.432    12.956    13.371    8.1746  3.4846  10.312  3.7460  -2.137203      5.116160 
1 1 1 -19 22  13 o 28.616  2.3028  116.281   17.301    109.205   24.472    123.353   24.464    27.680  3.3704  29.552  3.1387  -1.872482      4.605531 
1 1 1 -19 22  14 o 25.986  2.5149  98.405    16.533    73.218    23.098    124.867   23.675    22.234  4.0268  29.739  3.0138  -7.504955      5.029704 
1 1 1 -19 22  15 f 37.734  2.1802  201.712   21.820    191.749   30.774    211.785   30.945    36.742  3.1577  38.726  3.0069  -1.984093      4.360336 
1 1 1 -19 22  16 o 25.884  2.3905  96.981    16.177    97.327    22.908    96.637    22.849    25.932  3.3783  25.836  3.3831  0.9625244E-01  4.781033 
1 1 1 -19 22  17 o 25.143  2.4787  92.413    16.235    94.518    23.010    90.326    22.911    25.456  3.4648  24.831  3.5455  0.6251068      4.957351 
1 1 1 -19 22  18 o 6.8973  2.2564  -9.8591   9.9038    -14.1821  14.505    -6.0837   13.555    6.6288  3.1281  7.1658  3.2527  -0.5370836     4.512766 
1 1 1 -19 22  19 o 47.518  2.2723  324.543   28.706    304.351   40.444    345.041   40.750    45.926  3.3100  49.111  3.1139  -3.185745      4.544532 
1 1 1 -19 22  20 o 11.772  4.2806  19.064    17.466    19.064    17.466    0.0000    0.0000    11.772  4.2806  ?       ?       ?              ?        
1 1 1 -19 22  21 o 18.738  3.1073  55.726    15.554    41.492    21.626    70.979    22.387    16.003  4.7217  21.473  4.0407  -5.470011      6.214674 
1 1 1 -19 22  22 o 12.101  2.9244  18.372    12.920    37.452    18.578    0.5052    17.979    15.257  4.3398  8.9457  3.9212  6.310825       5.848855 
1 1 1 -19 22  23 o 30.452  2.5292  141.172   20.143    152.489   28.369    129.665   28.606    31.889  3.3725  29.014  3.7700  2.874598       5.058337 
1 1 1 -19 23  1  o 18.933  2.5188  51.211    12.282    45.125    17.355    57.319    17.385    17.716  3.7730  20.151  3.3379  -2.435001      5.037570 
1 1 1 -19 23  2  o 17.249  2.6215  42.843    11.755    45.978    16.551    39.653    16.697    17.930  3.5717  16.567  3.8381  1.363657       5.242903 
1 1 1 -19 23  3  o 43.526  2.0057  260.529   23.228    245.250   32.664    276.162   33.039    42.201  2.9074  44.851  2.7637  -2.649765      4.011363 
1 1 1 -19 23  4  o 45.613  2.0509  286.617   24.920    288.669   34.948    284.494   35.545    45.796  2.8635  45.430  2.9368  0.3651161      4.101740 
1 1 1 -19 23  5  o 28.304  2.1530  111.478   16.055    106.814   22.518    116.300   22.898    27.680  3.0900  28.928  2.9988  -1.247858      4.305900 
1 1 1 -19 23  6  f 42.322  2.0841  247.666   23.429    227.677   32.722    268.693   33.560    40.521  3.0369  44.122  2.8550  -3.601299      4.168242 
1 1 1 -19 23  7  o 37.315  2.1108  193.428   20.910    199.659   29.548    187.176   29.594    37.945  2.9300  36.685  3.0392  1.259506       4.221538 
1 1 1 -19 23  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 23  9  o 30.680  2.2863  134.079   18.138    158.519   25.432    108.781   25.876    33.755  2.8393  27.604  3.5843  6.150843       4.572604 
1 1 1 -19 23  10 o 57.997  2.2279  471.359   34.429    499.160   48.711    443.606   48.668    59.789  3.0519  56.204  3.2467  3.584591       4.455859 
1 1 1 -19 23  11 o 32.681  2.2671  151.333   19.534    139.986   27.633    162.668   27.618    31.372  3.3399  33.991  3.0665  -2.618736      4.534104 
1 1 1 -19 23  12 o 16.416  2.8057  40.270    12.630    56.502    18.204    25.205    17.537    19.651  3.5907  13.181  4.3120  6.470803       5.611337 
1 1 1 -19 23  13 o 17.250  2.8158  45.272    13.027    60.084    18.460    30.577    18.387    20.257  3.5307  14.244  4.3873  6.013086       5.631515 
1 1 1 -19 23  14 f 15.100  3.0073  34.781    12.734    30.362    17.716    39.505    18.317    14.145  4.2970  16.054  4.2084  -1.909804      6.014530 
1 1 1 -19 23  15 f 24.370  2.6400  87.835    16.572    75.579    22.994    101.082   23.906    22.424  3.9737  26.316  3.4766  -3.891397      5.279911 
1 1 1 -19 23  16 o 20.186  2.8608  62.114    14.923    48.953    20.753    76.206    21.475    17.709  4.3958  22.663  3.6627  -4.953989      5.721692 
1 1 1 -19 23  17 o 20.630  2.8428  64.703    15.138    68.117    21.818    61.533    21.022    21.184  3.9916  20.076  4.0490  1.107599       5.685696 
1 1 1 -19 23  18 o 39.525  6.4149  271.205   65.585    0.0000    0.0000    271.205   65.585    ?       ?       39.525  6.4149  ?              ?        
1 1 1 -19 23  19 o 17.559  3.0027  48.670    14.702    70.670    21.106    27.932    20.492    21.609  3.7845  13.509  4.6629  8.099652       6.005381 
1 1 1 -19 23  20 o 12.922  3.1151  25.489    12.968    22.074    18.032    29.148    18.664    12.237  4.3622  13.606  4.4483  -1.368786      6.230215 
1 1 1 -19 23  21 o 12.624  3.1573  24.506    13.342    22.111    18.452    27.130    19.314    12.152  4.4027  13.096  4.5265  -0.9446173     6.314538 
1 1 1 -19 24  1  o 29.997  2.1299  125.182   16.846    116.299   23.717    134.228   23.932    28.875  3.1159  31.120  2.9047  -2.245169      4.259785 
1 1 1 -19 24  2  o 12.852  2.7495  21.929    10.989    10.036    15.077    35.403    16.048    10.119  3.9128  15.584  3.8638  -5.465583      5.499001 
1 1 1 -19 24  3  o 44.672  2.0343  275.919   24.208    279.007   34.133    272.794   34.339    44.937  2.8506  44.407  2.9030  0.5301857      4.068574 
1 1 1 -19 24  4  o 53.579  2.1058  397.882   30.098    399.236   42.331    396.496   42.804    53.685  2.9552  53.473  3.0007  0.2123718      4.211586 
1 1 1 -19 24  5  o 29.446  3.1448  121.688   24.419    0.0000    0.0000    121.688   24.419    ?       ?       29.446  3.1448  ?              ?        
1 1 1 -19 24  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 24  7  o 35.714  2.1916  179.121   20.718    191.635   29.433    166.833   29.168    37.013  2.9946  34.415  3.2009  2.597412       4.383280 
1 1 1 -19 24  8  o 17.809  2.7941  47.065    12.984    44.678    18.325    49.471    18.400    17.318  4.0267  18.300  3.8747  -0.9812527     5.588120 
1 1 1 -19 24  9  o 47.579  2.1776  318.669   27.584    328.473   38.837    308.689   39.186    48.370  3.0126  46.789  3.1450  1.580933       4.355122 
1 1 1 -19 24  10 o 45.953  2.2103  298.954   26.907    264.561   37.700    334.662   38.414    43.116  3.2893  48.790  2.9534  -5.674290      4.420613 
1 1 1 -19 24  11 o 26.573  2.6001  105.790   17.008    143.014   24.167    69.265    23.939    31.825  2.8659  21.322  4.3393  10.50309       5.200280 
1 1 1 -19 24  12 o 8.9932  2.5707  4.2832    10.195    13.698    14.224    -5.6608   14.619    10.448  3.8533  7.5384  3.4040  2.909628       5.141479 
1 1 1 -19 24  13 o 27.070  2.4842  107.087   17.570    112.997   25.397    101.661   24.334    27.811  3.4860  26.329  3.5403  1.481892       4.968468 
1 1 1 -19 24  14 o 22.128  2.8237  74.141    16.119    75.026    22.753    73.249    22.839    22.286  3.9566  21.970  4.0296  0.3164387      5.647358 
1 1 1 -19 24  15 o 16.093  3.1714  40.894    14.222    37.332    20.161    44.423    20.066    15.380  4.5642  16.806  4.4044  -1.425427      6.342778 
1 1 1 -19 24  16 o 16.562  3.0607  43.052    14.273    58.522    20.378    28.154    19.998    19.532  4.0291  13.593  4.6084  5.938585       6.121362 
1 1 1 -19 24  17 o 9.3960  3.9394  5.4873    16.701    5.4873    16.701    0.0000    0.0000    9.3960  3.9394  ?       ?       ?              ?        
1 1 1 -19 24  18 o 34.623  2.4580  177.543   22.479    183.652   32.205    171.739   31.390    35.225  3.4579  34.022  3.4943  1.202766       4.916034 
1 1 1 -19 24  19 o 10.024  2.9151  9.2705    12.548    8.4003    17.039    10.302    18.547    9.7638  4.0265  10.285  4.2164  -0.5209532     5.830114 
1 1 1 -19 24  20 o 11.941  3.1064  21.366    13.213    25.874    18.391    16.556    18.997    12.726  4.4159  11.156  4.3702  1.570413       6.212796 
1 1 1 -19 25  1  o 41.982  2.0638  245.188   23.022    261.127   32.583    229.298   32.532    43.404  2.8180  40.561  3.0160  2.842129       4.127606 
1 1 1 -19 25  2  o 48.410  2.0879  326.085   26.943    323.396   38.105    328.773   38.100    48.202  2.9658  48.619  2.9395  -0.4164200     4.175736 
1 1 1 -19 25  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 25  4  o 17.639  3.9167  46.036    18.023    46.036    18.023    0.0000    0.0000    17.639  3.9167  ?       ?       ?              ?        
1 1 1 -19 25  5  o 25.396  2.4480  92.596    16.208    88.635    22.751    96.678    23.095    24.807  3.5230  25.985  3.3998  -1.177547      4.895947 
1 1 1 -19 25  6  o 29.756  2.2794  126.089   17.820    136.326   25.257    115.943   25.146    31.047  3.0778  28.465  3.3631  2.581648       4.558856 
1 1 1 -19 25  7  o 9.5943  2.6907  7.4969    10.537    1.5082    14.705    13.818    15.107    8.5237  3.6401  10.665  3.9635  -2.141039      5.381405 
1 1 1 -19 25  8  o 48.053  2.2210  327.771   28.428    329.320   40.105    326.207   40.303    48.182  3.1245  47.925  3.1574  0.2572670      4.442027 
1 1 1 -19 25  9  o 12.388  2.9225  21.153    11.891    31.397    17.071    11.501    16.571    14.355  4.1836  10.420  4.0818  3.935410       5.844931 
1 1 1 -19 25  10 o 14.597  2.9078  32.776    12.299    42.671    17.053    22.049    17.754    16.770  3.8743  12.423  4.3373  4.346791       5.815683 
1 1 1 -19 25  11 o 11.063  2.8771  16.006    11.197    15.989    15.475    16.025    16.222    11.014  4.0256  11.111  4.1115  -0.9615612E-01 5.754104 
1 1 1 -19 25  12 o 45.660  2.3026  301.548   27.880    325.970   39.325    276.868   39.533    47.687  3.0955  43.633  3.4098  4.054718       4.605255 
1 1 1 -19 25  13 o 12.064  3.0451  20.651    12.419    21.010    17.026    20.243    18.155    12.090  4.2459  12.038  4.3662  0.5192661E-01  6.090251 
1 1 1 -19 25  14 o 12.337  3.0245  19.941    12.995    7.3544    17.753    34.471    19.074    9.8845  4.0960  14.790  4.4511  -4.905083      6.048926 
1 1 1 -19 25  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 25  16 o 12.911  3.0496  24.722    13.070    36.141    18.435    13.182    18.533    15.034  4.3378  10.787  4.2877  4.247271       6.099242 
1 1 1 -19 25  17 o 15.654  3.2568  40.222    14.924    29.931    20.860    51.012    21.361    13.663  4.7052  17.646  4.5042  -3.983191      6.513584 
1 1 1 -19 25  18 o 10.551  2.8761  11.701    12.348    -0.9453   17.209    25.119    17.727    8.5088  3.7782  12.593  4.3374  -4.084190      5.752224 
1 1 1 -19 26  1  o 21.640  3.8694  68.863    21.605    68.863    21.605    0.0000    0.0000    21.640  3.8694  ?       ?       ?              ?        
1 1 1 -19 26  2  o 28.248  2.3632  114.116   17.396    98.533    24.167    130.872   25.061    26.114  3.5469  30.383  3.1240  -4.268652      4.726497 
1 1 1 -19 26  3  o 37.907  2.1708  203.133   21.847    197.800   30.761    208.559   31.033    37.383  3.1001  38.431  3.0395  -1.048359      4.341609 
1 1 1 -19 26  4  o 23.914  2.5307  83.391    15.564    70.027    21.597    97.829    22.449    21.739  3.8501  26.089  3.2854  -4.350000      5.061361 
1 1 1 -19 26  5  o 10.127  2.8599  8.4119    11.893    2.1949    16.166    15.745    17.557    8.9427  3.8177  11.312  4.2592  -2.369177      5.719805 
1 1 1 -19 26  6  o 17.155  2.9295  45.287    13.526    33.872    19.043    56.908    19.214    14.823  4.4444  19.487  3.8177  -4.663882      5.858953 
1 1 1 -19 26  7  f 15.367  2.7075  34.521    13.240    64.393    18.826    5.2846    18.624    20.898  3.4860  9.8350  4.1436  11.06343       5.414912 
1 1 1 -19 26  8  o 8.6108  2.5602  3.0595    10.158    7.3503    14.186    -1.4563   14.553    9.2225  3.7219  7.9992  3.5165  1.223333       5.120440 
1 1 1 -19 26  9  o 15.511  3.0258  37.725    13.018    40.655    18.087    34.576    18.750    16.167  4.1545  14.855  4.4001  1.311687       6.051537 
1 1 1 -19 26  10 o 18.294  3.0076  52.138    14.501    44.746    20.015    60.307    21.039    16.822  4.3939  19.766  4.1081  -2.943487      6.015248 
1 1 1 -19 26  11 o 17.313  3.0426  47.210    14.068    43.733    19.740    50.798    20.055    16.616  4.3751  18.011  4.2294  -1.394449      6.085147 
1 1 1 -19 26  12 o 31.022  2.5191  142.563   20.338    121.310   28.316    165.208   29.229    28.395  3.8200  33.649  3.2850  -5.253761      5.038254 
1 1 1 -19 26  13 o 17.176  6.4654  52.858    40.450    0.0000    0.0000    52.858    40.450    ?       ?       17.176  6.4654  ?              ?        
1 1 1 -19 26  14 o 11.853  3.0871  18.592    13.256    9.9729    18.078    28.617    19.498    10.219  4.1729  13.487  4.5505  -3.268404      6.174160 
1 1 1 -19 26  15 o 20.439  3.0735  67.545    16.291    72.292    22.428    62.243    23.704    21.450  4.0522  19.429  4.6221  2.020529       6.146911 
1 1 1 -19 26  16 o 10.023  2.8753  9.5728    12.344    2.1534    17.294    17.278    17.624    8.8900  3.8725  11.156  4.2514  -2.265809      5.750685 
1 1 1 -19 27  1  o 28.846  2.3817  122.061   17.473    150.799   24.601    92.802    24.823    32.663  2.8402  25.030  3.8239  7.632988       4.763337 
1 1 1 -19 27  2  o 22.229  2.6580  73.619    15.228    79.116    21.446    68.029    21.627    23.190  3.5670  21.268  3.9416  1.921989       5.315953 
1 1 1 -19 27  3  o 48.326  2.1901  333.391   28.170    314.133   39.383    353.569   40.311    46.834  3.1579  49.818  3.0355  -2.984234      4.380233 
1 1 1 -19 27  4  o 17.532  2.9175  48.450    13.826    63.301    19.209    32.485    19.917    20.613  3.6107  14.451  4.5836  6.162794       5.834986 
1 1 1 -19 27  5  o 15.052  3.0595  35.103    13.191    27.181    18.210    43.850    19.135    13.361  4.3950  16.742  4.2574  -3.381030      6.118944 
1 1 1 -19 27  6  o 19.431  2.9101  58.656    14.701    49.103    20.780    68.230    20.802    17.614  4.4135  21.248  3.7942  -3.634207      5.820246 
1 1 1 -19 27  7  o 18.313  2.9487  52.410    14.493    34.189    20.017    72.485    21.011    14.681  4.5868  21.945  3.7067  -7.263144      5.897350 
1 1 1 -19 27  8  o 16.675  3.0417  43.366    13.910    32.065    18.872    56.808    20.583    14.259  4.4535  19.091  4.1443  -4.831319      6.083452 
1 1 1 -19 27  9  o 13.181  3.1607  25.856    13.683    16.949    19.069    35.311    19.646    11.493  4.4121  14.869  4.5268  -3.375539      6.321299 
1 1 1 -19 27  10 o 22.090  2.9071  75.415    16.548    68.960    22.793    82.610    24.064    21.009  4.1973  23.171  4.0232  -2.161814      5.814123 
1 1 1 -19 27  11 o 26.382  3.9586  106.726   27.110    0.0000    0.0000    106.726   27.110    ?       ?       26.382  3.9586  ?              ?        
1 1 1 -19 27  12 o 15.006  3.5724  36.475    16.525    32.728    20.739    42.992    27.348    14.202  4.6912  15.809  5.3890  -1.606849      7.144858 
1 1 1 -19 27  13 o 36.040  2.5026  195.820   23.726    175.193   33.210    217.321   33.907    33.882  3.7206  38.197  3.3479  -4.314827      5.005160 
1 1 1 -19 27  14 o 9.4751  2.8609  5.6405    12.845    6.7138    18.207    4.5768    18.126    9.6197  4.0772  9.3305  4.0144  0.2891922      5.721797 
1 1 1 -19 28  1  o 13.015  2.8721  24.640    12.638    40.755    17.170    5.5884    18.669    16.224  3.9810  9.8057  4.1408  6.417850       5.744151 
1 1 1 -19 28  2  o 41.819  2.2228  252.941   24.712    257.971   35.021    247.952   34.876    42.262  3.1158  41.376  3.1711  0.8856468      4.445621 
1 1 1 -19 28  3  o 24.648  2.6291  91.220    16.751    81.276    23.161    102.127   24.255    23.106  3.8799  26.191  3.5489  -3.085323      5.258121 
1 1 1 -19 28  4  o 21.002  2.8229  67.760    15.281    61.424    21.008    74.881    22.269    19.878  4.0823  22.127  3.9001  -2.248869      5.645886 
1 1 1 -19 28  5  o 13.494  3.0641  27.848    12.670    21.568    17.161    35.372    18.785    12.109  4.2620  14.880  4.4035  -2.770361      6.128252 
1 1 1 -19 28  6  o 19.874  3.0113  62.170    15.577    52.121    21.508    73.256    22.590    17.987  4.4808  21.760  4.0241  -3.773161      6.022510 
1 1 1 -19 28  7  o 20.267  2.9982  65.086    15.766    55.530    22.400    74.468    22.195    18.520  4.5487  22.014  3.9073  -3.493734      5.996419 
1 1 1 -19 28  8  o 11.101  2.9449  15.351    12.325    6.3646    17.457    24.283    17.405    9.5963  4.0257  12.606  4.2992  -3.010063      5.889744 
1 1 1 -19 28  9  o 11.161  5.0591  -1.8478   32.649    0.0000    0.0000    -1.8478   32.649    ?       ?       11.161  5.0591  ?              ?        
1 1 1 -19 28  10 o 24.411  3.3388  96.248    20.471    90.644    25.812    105.747   33.605    23.942  4.1771  24.880  5.2098  -0.9380989     6.677598 
1 1 1 -19 28  11 o 15.527  2.5959  34.028    14.722    79.450    20.681    -12.6387  20.962    22.833  3.4926  8.2204  3.8415  14.61241       5.191841 
1 1 1 -19 28  12 o 23.065  2.9949  86.433    17.815    82.874    24.887    90.173    25.514    22.524  4.2816  23.605  4.1887  -1.081724      5.989791 
1 1 1 -19 29  1  o 8.2866  2.5730  -0.4492   11.006    1.5050    15.020    -2.7153   16.174    8.4128  3.6367  8.1603  3.6407  0.2524834      5.145907 
1 1 1 -19 29  2  o 13.154  3.2076  26.881    13.681    25.462    18.637    28.539    20.147    12.852  4.4462  13.456  4.6246  -0.6040859     6.415265 
1 1 1 -19 29  3  o 42.089  2.3296  260.829   25.990    240.474   36.467    281.842   37.052    40.276  3.4125  43.902  3.1723  -3.626213      4.659232 
1 1 1 -19 29  4  o 11.525  3.0694  17.567    12.993    12.130    17.630    24.031    19.223    10.448  4.1729  12.601  4.5026  -2.153116      6.138872 
1 1 1 -19 29  5  o 14.137  3.1558  31.689    13.881    20.863    19.494    42.825    19.771    12.057  4.4981  16.216  4.4274  -4.159490      6.311524 
1 1 1 -19 29  6  f 14.030  2.9433  25.713    14.624    -2.7594   19.955    58.745    21.493    8.9555  4.0161  19.104  4.3037  -10.14805      5.886527 
1 1 1 -19 29  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 29  8  o 11.236  3.1104  16.629    13.662    19.647    19.244    13.563    19.399    11.698  4.4461  10.775  4.3510  0.9228773      6.220846 
1 1 1 -19 29  9  o 12.180  3.2101  22.637    14.043    19.454    19.290    26.227    20.484    11.590  4.4403  12.771  4.6369  -1.181371      6.420102 
1 1 1 -19 29  10 o 17.152  3.3633  52.129    16.140    58.048    22.198    45.491    23.508    18.420  4.5306  15.884  4.9720  2.536433       6.726536 
1 1 1 -19 30  1  o 28.211  2.5798  121.273   18.998    124.143   26.367    118.175   27.397    28.688  3.5042  27.733  3.7872  0.9549809      5.159695 
1 1 1 -19 30  2  o 19.448  3.1059  61.593    15.779    61.576    21.716    61.612    22.966    19.543  4.2682  19.354  4.5132  0.1889477      6.211842 
1 1 1 -19 30  3  o 21.723  3.0602  77.650    17.134    97.232    23.961    57.162    24.510    25.185  3.6591  18.261  4.9063  6.924200       6.120468 
1 1 1 -19 30  4  o 24.346  4.2274  95.011    26.566    0.0000    0.0000    95.011    26.566    ?       ?       24.346  4.2274  ?              ?        
1 1 1 -19 30  5  o 25.536  4.0753  103.786   26.937    103.786   26.937    0.0000    0.0000    25.536  4.0753  ?       ?       ?              ?        
1 1 1 -19 30  6  o 16.375  3.3955  46.638    15.792    43.691    21.217    50.298    23.648    15.895  4.6732  16.855  4.9273  -0.9607754     6.790913 
1 1 1 -19 30  7  o 10.204  2.9343  10.363    13.196    20.818    18.387    -0.7418   18.949    11.640  4.3634  8.7689  3.9243  2.870998       5.868522 
1 1 1 -19 30  8  o 11.024  3.1027  16.792    14.089    23.058    18.826    8.8146    21.243    11.932  4.4265  10.116  4.3488  1.816830       6.205370 
1 1 1 -19 31  1  o 19.419  4.7136  64.673    24.270    0.0000    0.0000    64.673    24.270    ?       ?       19.419  4.7136  ?              ?        
1 1 1 -19 31  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -19 31  3  o 15.779  3.4549  44.316    16.080    39.764    21.785    49.763    23.832    14.973  4.7985  16.585  4.9718  -1.612300      6.909740 
1 1 1 -19 31  4  o 14.146  3.3440  35.095    14.863    30.589    20.003    40.650    22.209    13.301  4.6060  14.991  4.8492  -1.690793      6.688077 
1 1 1 -19 31  5  o 8.2277  2.6041  -7.1898   12.280    -21.2581  16.211    11.752    18.810    6.3243  3.0678  10.131  4.2087  -3.806885      5.208108 
1 1 1 -19 32  1  f 12.558  3.2764  27.133    14.455    25.196    19.238    29.643    21.906    12.194  4.4836  12.923  4.7787  -0.7287989     6.552777 
1 1 1 -19 32  2  o 11.442  3.1714  19.906    14.360    12.124    19.542    29.042    21.173    10.154  4.2594  12.730  4.7000  -2.576525      6.342888 
1 1 1 -18 -28 16 o 44.084  2.5369  282.859   29.484    322.871   42.313    245.096   41.106    47.345  3.3584  40.823  3.8031  6.522148       5.073707 
1 1 1 -18 -28 17 o 40.511  2.5028  238.606   26.874    239.889   38.567    237.395   37.467    40.576  3.5855  40.446  3.4928  0.1299324      5.005557 
1 1 1 -18 -28 18 o 45.233  2.5234  297.875   30.276    317.045   43.042    279.101   42.596    46.789  3.4590  43.678  3.6751  3.111099       5.046882 
1 1 1 -18 -27 7  o 10.768  3.0526  11.043    13.505    2.3968    22.295    16.055    16.973    10.252  4.4312  11.284  4.1996  -1.031882      6.105154 
1 1 1 -18 -27 8  o 28.334  2.7019  117.729   19.911    120.880   29.550    115.109   26.946    28.591  3.9654  28.077  3.6710  0.5148754      5.403744 
1 1 1 -18 -27 9  o 20.460  3.0144  60.876    16.192    97.030    25.163    35.326    21.154    25.725  3.7632  15.195  4.7100  10.53002       6.028731 
1 1 1 -18 -27 10 o 28.314  2.7161  116.125   19.921    135.830   29.836    100.272   26.761    30.557  3.7222  26.070  3.9566  4.487188       5.432232 
1 1 1 -18 -27 11 o 16.850  3.3483  44.669    15.898    36.181    24.688    50.683    20.780    15.442  5.1193  18.257  4.3171  -2.815141      6.696621 
1 1 1 -18 -27 12 o 16.201  3.2630  41.150    15.151    30.525    23.613    48.585    19.754    14.467  5.0047  17.934  4.1881  -3.467034      6.525913 
1 1 1 -18 -27 13 o 28.167  2.9429  119.161   21.083    99.231    30.843    136.643   28.886    25.543  4.6805  30.790  3.5688  -5.246944      5.885883 
1 1 1 -18 -27 14 o 41.364  2.3943  243.730   26.287    250.958   37.518    236.759   36.844    41.985  3.3644  40.743  3.4074  1.242138       4.788518 
1 1 1 -18 -27 15 o 30.809  2.7277  137.319   21.671    168.843   31.973    110.531   29.473    34.291  3.5316  27.326  4.1579  6.964708       5.455328 
1 1 1 -18 -27 16 o 41.775  2.4109  248.850   26.670    271.152   38.126    227.480   37.320    43.711  3.2803  39.839  3.5341  3.872093       4.821847 
1 1 1 -18 -27 17 o 22.955  3.1112  78.203    18.327    105.358   27.590    56.758    24.519    26.770  3.9680  19.141  4.7930  7.628632       6.222434 
1 1 1 -18 -27 18 o 21.055  3.3710  67.842    19.094    98.165    28.158    42.031    25.979    25.652  4.2467  16.458  5.2364  9.193241       6.742024 
1 1 1 -18 -27 19 o 43.430  2.4388  269.765   28.118    281.814   40.035    258.036   39.500    44.439  3.3890  42.421  3.5078  2.017410       4.877504 
1 1 1 -18 -27 20 o 26.605  3.3117  118.012   21.624    57.220    32.014    169.027   29.326    18.757  5.7909  34.454  3.2149  -15.69771      6.623452 
1 1 1 -18 -27 21 o 32.460  2.8267  155.448   23.977    144.661   34.082    166.018   33.739    31.194  4.1846  33.725  3.8013  -2.530302      5.653378 
1 1 1 -18 -27 22 o 9.8804  2.9440  -1.4191   15.113    -31.4135  24.533    16.924    19.186    8.0205  3.8615  11.740  4.4449  -3.719785      5.888016 
1 1 1 -18 -27 23 o 36.509  2.6464  195.114   25.429    181.677   36.204    208.200   35.726    35.115  3.9159  37.902  3.5608  -2.787369      5.292822 
1 1 1 -18 -27 24 o 18.967  3.6458  57.879    18.921    59.960    28.426    56.223    25.353    19.174  5.3382  18.761  4.9671  0.4134274      7.291684 
1 1 1 -18 -27 25 o 7.7863  2.6368  -28.8262  15.389    -12.0153  23.683    -41.1116  20.246    9.1088  4.1961  6.4638  3.1943  2.645022       5.273608 
1 1 1 -18 -27 26 f 24.766  3.3300  96.842    21.230    84.134    30.064    109.484   29.985    22.829  5.0505  26.703  4.3414  -3.874317      6.659944 
1 1 1 -18 -26 3  o 16.054  3.1327  41.076    14.575    25.242    22.634    52.295    19.052    13.446  4.8754  18.663  3.9353  -5.216217      6.265465 
1 1 1 -18 -26 4  o 23.715  2.8337  83.608    17.240    82.160    25.800    84.777    23.174    23.368  4.2797  24.061  3.7154  -0.6930065     5.667408 
1 1 1 -18 -26 5  o 15.939  3.2024  38.643    14.143    39.108    22.332    38.331    18.276    15.963  4.8189  15.915  4.2189  0.4816628E-01  6.404762 
1 1 1 -18 -26 6  o 12.739  3.3188  19.303    14.719    29.644    23.777    12.880    18.741    14.371  5.0192  11.107  4.3435  3.264596       6.637650 
1 1 1 -18 -26 7  o 14.335  3.1843  30.696    13.556    26.633    21.964    33.197    17.228    13.772  4.8233  14.897  4.1588  -1.124491      6.368646 
1 1 1 -18 -26 8  o 36.991  2.3954  193.988   23.401    213.620   33.809    175.932   32.423    38.863  3.2786  35.120  3.4931  3.743130       4.790716 
1 1 1 -18 -26 9  o 27.550  2.6749  109.501   19.134    113.262   28.580    106.446   25.759    27.903  3.9331  27.197  3.6265  0.7061615      5.349870 
1 1 1 -18 -26 10 o 20.512  3.0586  62.651    16.159    64.908    24.588    60.935    21.440    20.738  4.5514  20.285  4.0872  0.4533253      6.117197 
1 1 1 -18 -26 11 o 26.126  2.7440  98.591    18.549    105.199   27.729    93.240    24.955    26.880  3.9709  25.371  3.7882  1.509584       5.488076 
1 1 1 -18 -26 12 o 22.797  3.0460  76.800    17.844    80.942    26.710    73.462    23.979    23.295  4.4430  22.299  4.1681  0.9961300      6.092052 
1 1 1 -18 -26 13 o 10.819  2.9972  10.881    13.181    -3.1281   21.933    18.801    16.492    9.7395  4.2979  11.898  4.1787  -2.158673      5.994449 
1 1 1 -18 -26 14 o 11.196  3.1416  8.5889    14.283    22.445    22.349    -0.9783   18.570    13.179  4.8345  9.2135  4.0132  3.965521       6.283165 
1 1 1 -18 -26 15 o 15.401  3.3724  35.112    16.081    21.046    23.452    47.591    22.091    13.081  4.9232  17.722  4.6101  -4.640460      6.744702 
1 1 1 -18 -26 16 o 12.036  2.9625  19.352    12.232    8.2295    19.649    26.391    15.630    10.633  4.3472  13.438  4.0258  -2.804991      5.924998 
1 1 1 -18 -26 17 o 15.768  3.4322  37.712    16.302    27.464    24.624    45.709    21.752    14.173  5.0926  17.363  4.6027  -3.190359      6.864361 
1 1 1 -18 -26 18 o 14.424  3.4197  27.701    16.068    43.647    24.347    15.395    21.388    16.898  5.0160  11.951  4.6494  4.947134       6.839359 
1 1 1 -18 -26 19 o 31.047  2.7568  139.738   22.268    157.521   31.846    122.727   31.149    33.147  3.6473  28.948  4.1348  4.198803       5.513581 
1 1 1 -18 -26 20 o 17.800  3.3364  50.047    17.334    26.035    26.103    68.988    23.184    14.047  5.2121  21.553  4.1666  -7.505973      6.672836 
1 1 1 -18 -26 21 o 16.547  3.5408  42.334    17.373    32.456    26.010    50.292    23.345    14.992  5.2488  18.102  4.7538  -3.109937      7.081593 
1 1 1 -18 -26 22 o 15.804  3.0975  35.558    16.725    -1.1449   24.683    66.714    22.741    10.456  4.5884  21.152  4.1622  -10.69681      6.194927 
1 1 1 -18 -26 23 o 35.860  2.6621  186.583   24.844    219.147   35.459    155.183   34.819    39.203  3.4109  32.517  4.0882  6.686245       5.324283 
1 1 1 -18 -26 24 o 21.453  3.4019  70.265    19.106    86.563    28.484    56.934    25.761    23.834  4.6288  19.072  4.9867  4.761776       6.803885 
1 1 1 -18 -26 25 o 20.407  3.4567  66.626    19.089    46.553    27.922    84.241    26.157    17.150  5.4258  23.664  4.2845  -6.514406      6.913480 
1 1 1 -18 -26 26 o 15.749  3.2460  35.734    17.232    4.2895    24.866    64.787    23.902    10.955  4.7073  20.543  4.4708  -9.588214      6.492015 
1 1 1 -18 -26 27 o 35.787  2.6356  187.970   24.705    167.285   35.172    208.113   34.709    33.611  3.9845  37.964  3.4510  -4.352947      5.271226 
1 1 1 -18 -26 28 o 32.728  2.8316  159.523   24.279    163.413   35.288    156.027   33.457    33.055  4.0717  32.400  3.9360  0.6549873      5.663110 
1 1 1 -18 -26 29 o 19.138  3.6246  59.421    19.551    79.535    28.410    41.326    26.946    22.295  4.8919  15.980  5.3498  6.314768       7.249170 
1 1 1 -18 -25 1  o 7.2226  2.3430  -17.4224  9.9545    4.3710    17.303    -28.2033  12.170    9.5495  4.0071  4.8957  2.4294  4.653771       4.686026 
1 1 1 -18 -25 2  o 22.427  2.8396  73.294    16.335    85.339    24.797    64.061    21.710    24.083  3.9834  20.770  4.0479  3.313314       5.679184 
1 1 1 -18 -25 3  o 19.350  2.9912  60.121    15.910    25.851    23.631    88.535    21.517    13.797  4.9849  24.903  3.3077  -11.10632      5.982465 
1 1 1 -18 -25 4  o 7.6348  2.4830  -9.0160   11.105    -13.9457  19.329    -6.5869   13.568    8.0783  3.7457  7.1913  3.2604  0.8869896      4.965951 
1 1 1 -18 -25 5  o 10.343  2.8495  9.3235    10.668    16.489    19.236    6.1404    12.821    11.832  4.4575  8.8553  3.5508  2.976372       5.698903 
1 1 1 -18 -25 6  o 16.540  3.2417  38.897    15.182    57.779    23.582    25.532    19.840    19.578  4.5788  13.502  4.5902  6.076085       6.483478 
1 1 1 -18 -25 7  o 39.511  2.2934  219.555   24.031    213.572   34.414    225.249   33.572    38.931  3.3324  40.091  3.1518  -1.159920      4.586830 
1 1 1 -18 -25 8  o 24.875  2.6337  88.346    16.909    102.441   25.112    76.655    22.870    26.764  3.5938  22.986  3.8509  3.778458       5.267323 
1 1 1 -18 -25 9  o 24.464  2.7974  85.996    17.611    99.302    26.421    75.359    23.624    26.216  3.8798  22.712  4.0310  3.504398       5.594856 
1 1 1 -18 -25 10 o 27.041  2.6121  104.257   18.349    117.189   26.998    93.155    25.016    28.659  3.5963  25.423  3.7894  3.235769       5.224225 
1 1 1 -18 -25 11 f 23.095  2.9208  79.153    17.188    70.112    25.765    86.402    23.072    21.646  4.5864  24.545  3.6179  -2.898436      5.841623 
1 1 1 -18 -25 12 o 36.545  2.3400  187.773   22.616    202.890   32.538    173.645   31.457    38.020  3.2255  35.071  3.3911  2.949940       4.680092 
1 1 1 -18 -25 13 o 19.272  3.0084  54.092    15.718    85.786    23.463    28.292    21.169    24.419  3.7036  14.126  4.7417  10.29250       6.016734 
1 1 1 -18 -25 14 o 23.741  2.9253  82.362    17.765    102.001   25.875    64.848    24.435    26.652  3.7266  20.830  4.5102  5.821390       5.850559 
1 1 1 -18 -25 15 o 22.556  2.9929  75.015    17.369    73.783    25.505    76.080    23.720    22.287  4.4285  22.824  4.0273  -0.5363140     5.985817 
1 1 1 -18 -25 16 o 11.398  3.1475  9.7114    14.509    24.313    21.709    -2.0754   19.505    13.466  4.7878  9.3300  4.0870  4.135662       6.294961 
1 1 1 -18 -25 17 o 9.0741  2.6532  -5.4310   12.867    -40.0948  20.749    16.228    16.401    6.7310  3.3085  11.417  4.1486  -4.686225      5.306340 
1 1 1 -18 -25 18 o 17.047  3.0056  45.333    15.679    11.426    23.725    71.624    20.892    11.806  4.7961  22.289  3.6239  -10.48333      6.011217 
1 1 1 -18 -25 19 o 29.492  2.8551  128.167   21.431    103.666   31.044    150.473   29.621    26.419  4.5514  32.566  3.4484  -6.146936      5.710234 
1 1 1 -18 -25 20 o 61.876  2.3383  537.839   38.614    538.232   54.653    537.446   54.563    61.897  3.3085  61.855  3.3053  0.4257584E-01  4.676669 
1 1 1 -18 -25 21 o 69.634  2.3688  680.879   44.174    692.499   62.281    669.117   62.662    70.271  3.3090  68.997  3.3907  1.274178       4.737698 
1 1 1 -18 -25 22 o 14.287  3.1884  27.003    16.261    -2.9834   24.588    50.316    21.680    10.308  4.5496  18.265  4.4682  -7.957032      6.376813 
1 1 1 -18 -25 23 o 19.683  3.4624  59.571    18.194    56.313    26.255    62.580    25.235    19.093  5.0545  20.272  4.7333  -1.178841      6.924757 
1 1 1 -18 -25 24 o 34.999  2.5432  175.149   23.494    180.451   33.722    170.148   32.750    35.519  3.5940  34.479  3.5993  1.040287       5.086452 
1 1 1 -18 -25 25 o 13.251  3.4009  22.899    15.734    29.639    22.712    16.679    21.819    14.337  4.9109  12.165  4.7062  2.171496       6.801879 
1 1 1 -18 -25 26 o 30.370  2.8093  134.938   22.173    119.867   31.090    150.540   31.633    28.474  4.2027  32.265  3.7290  -3.791328      5.618568 
1 1 1 -18 -25 27 o 19.293  3.5662  58.546    18.631    55.869    27.408    60.845    25.402    18.788  5.2456  19.798  4.8326  -1.009802      7.132366 
1 1 1 -18 -25 28 o 46.425  2.4298  310.012   29.792    277.102   42.637    341.410   41.646    43.787  3.6692  49.063  3.1864  -5.275967      4.859646 
1 1 1 -18 -25 29 o 12.451  3.4168  18.357    16.297    21.340    23.768    15.710    22.390    12.937  4.9355  11.964  4.7263  0.9736700      6.833513 
1 1 1 -18 -25 30 o 55.192  2.4485  441.119   35.774    389.095   50.678    492.791   50.506    51.663  3.6864  58.720  3.2235  -7.056980      4.897022 
1 1 1 -18 -25 31 o 16.545  3.7149  44.524    18.663    38.002    26.778    50.684    26.025    15.480  5.3310  17.610  5.1751  -2.129737      7.429753 
1 1 1 -18 -25 32 o 19.092  3.6228  60.867    19.628    78.960    27.520    42.135    28.002    22.195  4.7711  15.988  5.4531  6.207641       7.245683 
1 1 1 -18 -24 1  o 25.567  2.7526  98.112    17.372    64.547    24.845    130.225   24.301    20.680  4.6038  30.455  3.0188  -9.775610      5.505254 
1 1 1 -18 -24 2  o 18.804  3.1232  54.210    15.654    40.274    23.148    65.954    21.250    16.348  4.8996  21.260  3.8745  -4.911772      6.246411 
1 1 1 -18 -24 3  o 8.8926  2.6378  1.8383    11.080    -12.7028  18.715    9.6842    13.747    8.0528  3.7169  9.7324  3.7438  -1.679648      5.275559 
1 1 1 -18 -24 4  o 31.347  2.3900  139.681   19.606    128.376   28.484    149.860   27.028    30.006  3.6170  32.689  3.1250  -2.682903      4.779969 
1 1 1 -18 -24 5  o 25.005  2.6811  90.593    17.245    84.864    25.514    95.412    23.399    24.118  4.0961  25.892  3.4606  -1.774628      5.362249 
1 1 1 -18 -24 6  o 16.152  5.7532  36.879    31.360    36.879    31.360    0.0000    0.0000    16.152  5.7532  ?       ?       ?              ?        
1 1 1 -18 -24 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -24 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -24 9  o 10.906  4.1327  13.100    16.595    0.0000    0.0000    13.100    16.595    ?       ?       10.906  4.1327  ?              ?        
1 1 1 -18 -24 10 o 28.460  3.4665  114.740   25.879    0.0000    0.0000    114.740   25.879    ?       ?       28.460  3.4665  ?              ?        
1 1 1 -18 -24 11 o 27.652  3.7098  122.856   23.067    98.599    44.770    131.623   26.914    24.737  6.6245  30.566  3.3418  -5.829327      7.419696 
1 1 1 -18 -24 12 o 24.067  2.8664  84.839    17.659    75.554    25.894    92.914    24.145    22.625  4.4314  25.508  3.6369  -2.883747      5.732743 
1 1 1 -18 -24 13 o 31.247  2.4721  137.980   20.072    164.667   29.082    113.702   27.738    34.292  3.2034  28.203  3.7660  6.088627       4.944114 
1 1 1 -18 -24 14 o 11.239  2.8387  12.171    12.694    -10.8699  19.780    28.308    16.553    8.5200  3.8911  13.958  4.1343  -5.437647      5.677462 
1 1 1 -18 -24 15 f 29.140  2.6646  123.163   19.629    91.613    27.760    154.709   27.759    25.031  4.2952  33.249  3.1547  -8.218491      5.329291 
1 1 1 -18 -24 16 o 25.744  3.8099  101.563   22.986    98.709    44.237    102.619   26.903    24.771  6.5625  26.716  3.8725  -1.944374      7.619896 
1 1 1 -18 -24 17 o 13.355  4.3534  25.194    17.882    0.0000    0.0000    25.194    17.882    ?       ?       13.355  4.3534  ?              ?        
1 1 1 -18 -24 18 o 41.858  4.0296  251.004   44.620    0.0000    0.0000    251.004   44.620    ?       ?       41.858  4.0296  ?              ?        
1 1 1 -18 -24 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -24 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -24 21 o 13.337  5.5266  13.407    32.318    13.407    32.318    0.0000    0.0000    13.337  5.5266  ?       ?       ?              ?        
1 1 1 -18 -24 22 o 29.532  2.7569  125.843   21.123    142.884   30.290    109.710   29.473    31.637  3.6410  27.428  4.1407  4.208693       5.513833 
1 1 1 -18 -24 23 o 11.420  3.2097  10.446    14.875    20.464    22.392    2.5350    19.900    12.889  4.8185  9.9502  4.2415  2.939100       6.419322 
1 1 1 -18 -24 24 o 36.389  2.4755  188.516   23.754    174.435   33.752    202.336   33.436    34.933  3.6616  37.845  3.3325  -2.911682      4.951052 
1 1 1 -18 -24 25 o 21.691  3.3145  73.172    19.038    45.590    27.232    99.542    26.627    17.225  5.3447  26.157  3.9213  -8.932646      6.628941 
1 1 1 -18 -24 26 o 29.506  2.7094  125.985   20.900    122.627   29.521    129.359   29.592    29.075  3.8881  29.936  3.7745  -0.8614063     5.418848 
1 1 1 -18 -24 27 o 40.714  2.4211  234.997   26.071    260.765   37.743    211.480   36.056    42.933  3.3076  38.494  3.5365  4.439106       4.842196 
1 1 1 -18 -24 28 f 21.356  3.4466  70.346    19.266    69.229    27.938    71.359    26.604    21.116  5.0143  21.597  4.7299  -0.4813156     6.893185 
1 1 1 -18 -24 29 o 35.020  2.6560  178.915   24.047    213.365   34.067    144.701   33.950    38.720  3.3168  31.320  4.1491  7.400379       5.311929 
1 1 1 -18 -24 30 o 50.476  2.3502  363.354   31.514    335.324   44.521    391.503   44.615    48.393  3.4575  52.560  3.1841  -4.166912      4.700326 
1 1 1 -18 -24 31 o 18.165  3.5642  51.849    18.321    66.796    26.689    38.528    25.195    20.592  4.9084  15.739  5.1694  4.852316       7.128456 
1 1 1 -18 -24 32 o 22.442  3.4091  80.616    20.092    104.410   28.332    56.544    28.498    26.313  4.1581  18.570  5.4034  7.742695       6.818146 
1 1 1 -18 -24 33 o 27.199  3.1691  115.144   22.060    97.557    31.430    132.222   30.971    24.742  4.9157  29.656  4.0012  -4.913727      6.338276 
1 1 1 -18 -24 34 o 11.591  3.3872  12.863    17.110    11.524    24.018    14.242    24.379    11.401  4.7476  11.782  4.8325  -0.3805752     6.774426 
1 1 1 -18 -23 1  o 26.478  5.0677  105.940   34.631    105.940   34.631    0.0000    0.0000    26.478  5.0677  ?       ?       ?              ?        
1 1 1 -18 -23 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -23 3  o 20.321  3.9786  60.322    20.880    0.0000    0.0000    60.322    20.880    ?       ?       20.321  3.9786  ?              ?        
1 1 1 -18 -23 4  o 39.354  2.1602  215.279   22.563    230.116   32.707    201.808   31.165    40.667  3.0243  38.041  3.0852  2.625824       4.320313 
1 1 1 -18 -23 5  f 22.790  2.6786  74.414    15.739    81.354    23.227    68.523    21.401    23.796  3.7699  21.785  3.8061  2.010145       5.357130 
1 1 1 -18 -23 6  o 31.892  2.3575  142.588   19.678    165.848   28.573    121.603   27.140    34.472  3.1286  29.313  3.5275  5.159058       4.715068 
1 1 1 -18 -23 7  o 8.9299  2.6231  1.1432    10.060    11.069    17.115    -4.0962   12.435    10.676  4.1575  7.1838  3.1995  3.492256       5.246140 
1 1 1 -18 -23 8  o 10.605  2.6145  2.7464    10.599    31.943    17.894    -13.0338  13.156    14.797  4.2749  6.4117  3.0112  8.385630       5.228957 
1 1 1 -18 -23 9  o 37.605  2.2536  197.207   22.456    188.495   31.954    205.708   31.566    36.734  3.2821  38.475  3.0891  -1.740238      4.507215 
1 1 1 -18 -23 10 o 28.512  2.4639  114.998   18.342    108.878   26.622    120.529   25.307    27.697  3.6796  29.326  3.2779  -1.629005      4.927864 
1 1 1 -18 -23 11 o 28.590  2.5486  118.082   18.444    90.133    26.611    143.924   25.588    24.991  4.1190  32.189  3.0025  -7.198086      5.097121 
1 1 1 -18 -23 12 f 24.300  2.6383  84.153    16.587    91.816    23.834    76.955    23.099    25.443  3.5978  23.158  3.8597  2.284403       5.276517 
1 1 1 -18 -23 13 o 42.167  2.1844  246.570   24.494    240.122   34.555    253.081   34.726    41.594  3.1245  42.740  3.0535  -1.146526      4.368775 
1 1 1 -18 -23 14 o 28.471  2.4720  114.264   18.453    116.240   26.131    112.298   26.062    28.732  3.4654  28.210  3.5262  0.5218639      4.944006 
1 1 1 -18 -23 15 o 13.793  3.1208  24.289    13.786    40.856    20.660    10.991    18.511    16.642  4.5185  10.945  4.3059  5.696096       6.241605 
1 1 1 -18 -23 16 o 26.995  2.5846  103.732   18.121    95.221    25.917    111.874   25.347    25.803  3.8693  28.187  3.4279  -2.384407      5.169290 
1 1 1 -18 -23 17 o 18.065  2.9771  50.252    14.812    26.113    22.044    70.119    19.999    13.919  4.8344  22.211  3.4756  -8.291667      5.954150 
1 1 1 -18 -23 18 o 40.146  2.3033  224.969   24.529    214.587   34.738    235.292   34.641    39.174  3.3426  41.118  3.1698  -1.943535      4.606571 
1 1 1 -18 -23 19 o 22.722  2.9360  75.595    17.134    68.217    24.881    82.250    23.629    21.504  4.4657  23.940  3.8128  -2.435961      5.872011 
1 1 1 -18 -23 20 o 31.895  2.5139  144.073   20.973    161.441   29.835    127.107   29.489    33.921  3.3265  29.869  3.7699  4.052216       5.027755 
1 1 1 -18 -23 21 o 46.345  2.2711  299.701   28.012    306.380   39.661    293.052   39.569    46.882  3.1772  45.808  3.2460  1.074364       4.542129 
1 1 1 -18 -23 22 o 8.1217  2.6112  -12.4685  12.446    0.2127    19.340    -21.4316  16.260    9.5839  4.1349  6.6595  3.1901  2.924367       5.222477 
1 1 1 -18 -23 23 o 32.924  3.3775  152.944   29.363    0.0000    0.0000    152.944   29.363    ?       ?       32.924  3.3775  ?              ?        
1 1 1 -18 -23 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -23 25 o 52.078  4.4907  395.749   62.028    395.749   62.028    0.0000    0.0000    52.078  4.4907  ?       ?       ?              ?        
1 1 1 -18 -23 26 o 58.604  2.2648  481.479   35.413    486.842   50.025    476.093   50.138    58.950  3.1800  58.257  3.2257  0.6930199      4.529620 
1 1 1 -18 -23 27 o 78.011  2.3953  856.912   50.004    899.965   70.868    814.226   70.565    80.054  3.3050  75.968  3.4679  4.086266       4.790607 
1 1 1 -18 -23 28 o 20.843  3.2871  66.183    17.917    58.610    25.509    73.556    25.171    19.520  4.8894  22.166  4.3948  -2.645979      6.574243 
1 1 1 -18 -23 29 o 15.390  3.4815  35.080    16.574    44.860    23.538    25.464    23.341    17.083  4.8935  13.696  4.9533  3.387219       6.962914 
1 1 1 -18 -23 30 o 40.752  2.4014  236.400   25.952    234.812   37.368    237.880   36.068    40.565  3.4727  40.940  3.3178  -0.3743095     4.802839 
1 1 1 -18 -23 31 o 10.256  3.0658  -0.2454   15.689    -19.6052  23.036    16.504    21.427    8.4833  3.9843  12.029  4.6608  -3.545506      6.131688 
1 1 1 -18 -23 32 o 13.954  3.4504  24.882    17.078    7.4233    23.481    44.489    24.884    11.088  4.6610  16.821  5.0888  -5.733447      6.900789 
1 1 1 -18 -23 33 o 20.660  3.5407  67.776    19.369    69.749    28.150    66.003    26.691    20.908  5.0774  20.412  4.9361  0.4960690      7.081309 
1 1 1 -18 -23 34 o 23.370  3.3476  85.786    20.234    87.856    28.877    83.788    28.360    23.663  4.7216  23.077  4.7467  0.5862103      6.695118 
1 1 1 -18 -23 35 o 16.719  3.4209  43.549    17.901    70.265    25.808    18.780    24.849    20.969  4.7102  12.470  4.9623  8.499075       6.841813 
1 1 1 -18 -22 1  o 32.868  2.1833  150.906   18.870    171.900   27.102    131.153   26.290    35.183  2.9019  30.554  3.2628  4.628513       4.366558 
1 1 1 -18 -22 2  f 6.0871  2.0537  -14.4608  8.3844    -12.3449  15.050    -15.4129  10.096    7.0754  3.2891  5.0989  2.4603  1.976493       4.107486 
1 1 1 -18 -22 3  o 17.615  2.9777  45.070    13.843    53.040    20.773    38.704    18.567    19.012  4.1921  16.219  4.2300  2.793018       5.955328 
1 1 1 -18 -22 4  o 58.913  2.1407  479.746   33.662    483.550   47.989    476.061   47.231    59.136  3.0400  58.690  3.0147  0.4454880      4.281336 
1 1 1 -18 -22 5  o 11.197  2.9430  13.648    11.455    18.173    18.894    11.019    14.404    12.212  4.4504  10.181  3.8521  2.031366       5.886005 
1 1 1 -18 -22 6  o 37.931  2.1628  199.352   21.768    197.483   31.341    201.093   30.256    37.730  3.1296  38.133  2.9860  -0.4039345     4.325572 
1 1 1 -18 -22 7  o 13.934  3.1113  26.910    12.857    31.005    19.970    24.010    16.803    14.732  4.5780  13.136  4.2147  1.595728       6.222666 
1 1 1 -18 -22 8  o 50.767  2.1102  354.864   28.560    366.405   40.770    343.743   40.019    51.590  2.9629  49.944  3.0055  1.645443       4.220449 
1 1 1 -18 -22 9  o 34.935  2.2191  169.016   20.511    181.303   29.402    157.367   28.629    36.208  3.0603  33.661  3.2143  2.547173       4.438156 
1 1 1 -18 -22 10 o 15.086  2.9340  33.426    12.930    18.402    19.298    45.667    17.419    12.356  4.4985  17.816  3.7680  -5.459395      5.868047 
1 1 1 -18 -22 11 f 43.377  2.1438  259.433   24.730    247.516   34.902    271.448   35.047    42.344  3.0988  44.409  2.9634  -2.064846      4.287672 
1 1 1 -18 -22 12 f 37.739  2.2088  196.873   22.115    195.733   30.748    198.095   31.833    37.643  3.0765  37.835  3.1704  -0.1923370     4.417655 
1 1 1 -18 -22 13 o 14.872  3.1370  31.133    13.648    39.882    19.883    23.336    18.768    16.542  4.4079  13.202  4.4646  3.340519       6.273910 
1 1 1 -18 -22 14 o 37.312  2.2155  192.566   21.933    194.148   30.828    190.946   31.212    37.481  3.0985  37.143  3.1676  0.3380661      4.431035 
1 1 1 -18 -22 15 o 51.232  2.1233  361.224   28.995    364.775   40.524    357.498   41.504    51.515  2.9492  50.949  3.0554  0.5658073      4.246594 
1 1 1 -18 -22 16 o 10.412  2.8867  4.1696    12.513    21.454    19.293    -8.3816   16.440    12.898  4.5202  7.9259  3.5916  4.972458       5.773366 
1 1 1 -18 -22 17 o 81.189  2.3544  909.757   51.197    902.581   72.036    917.082   72.777    80.869  3.3257  81.510  3.3334  -0.6413803     4.708703 
1 1 1 -18 -22 18 o 51.218  2.1513  362.291   29.309    388.021   41.305    336.199   41.594    53.119  2.9142  49.317  3.1655  3.801640       4.302694 
1 1 1 -18 -22 19 o 38.919  2.2596  210.136   23.347    208.359   32.931    211.931   33.105    38.750  3.2014  39.088  3.1898  -0.3377190     4.519281 
1 1 1 -18 -22 20 o 9.6422  2.8643  2.3386    12.802    -6.0405   19.383    8.8220    17.050    8.9474  3.9891  10.337  4.1115  -1.389578      5.728652 
1 1 1 -18 -22 21 o 12.241  3.1332  17.243    13.632    26.591    19.517    8.3381    19.049    13.824  4.5501  10.657  4.3087  3.166733       6.266486 
1 1 1 -18 -22 22 o 28.416  2.5835  115.431   18.974    101.882   27.591    127.585   26.133    26.653  3.9874  30.180  3.2860  -3.526609      5.166922 
1 1 1 -18 -22 23 o 55.894  2.2108  434.195   32.900    406.160   46.695    461.830   46.361    54.022  3.2421  57.767  3.0067  -3.744701      4.421688 
1 1 1 -18 -22 24 o 31.679  2.4257  141.202   20.208    153.687   29.212    129.744   27.985    33.071  3.3438  30.286  3.5151  2.784960       4.851495 
1 1 1 -18 -22 25 o 16.832  3.1733  40.548    15.223    61.250    22.784    23.853    20.461    20.354  4.3132  13.311  4.6556  7.042849       6.346514 
1 1 1 -18 -22 26 o 27.632  3.5734  103.357   23.727    150.257   44.665    84.918    28.006    31.351  5.5206  23.912  4.5386  7.438654       7.146731 
1 1 1 -18 -22 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -22 28 o 10.211  4.3573  2.7728    21.042    2.7728    21.042    0.0000    0.0000    10.211  4.3573  ?       ?       ?              ?        
1 1 1 -18 -22 29 o 13.595  3.1645  21.688    15.443    45.935    22.019    -1.7851   21.665    17.381  4.6421  9.8090  4.3019  7.571644       6.328932 
1 1 1 -18 -22 30 o 27.865  2.8573  114.814   20.407    99.542    29.716    128.445   28.074    25.816  4.4585  29.914  3.5747  -4.097504      5.714586 
1 1 1 -18 -22 31 o 11.332  3.2582  10.096    15.530    15.912    23.022    5.2392    21.038    12.207  4.8021  10.458  4.4049  1.749102       6.516332 
1 1 1 -18 -22 32 o 11.610  3.1959  11.499    15.377    -4.5140   22.170    26.344    21.346    9.5847  4.2703  13.635  4.7560  -4.050006      6.391796 
1 1 1 -18 -22 33 o 10.631  3.1939  5.0071    15.782    5.4144    23.665    4.6809    21.179    10.903  4.6359  10.359  4.3944  0.5442667      6.387709 
1 1 1 -18 -22 34 o 15.770  3.6303  38.767    17.625    41.332    24.579    36.052    25.287    16.216  5.0854  15.325  5.1822  0.8909740      7.260622 
1 1 1 -18 -22 35 o 19.168  3.4690  59.334    18.637    79.488    26.172    38.603    26.544    22.686  4.4661  15.650  5.3094  7.036169       6.937999 
1 1 1 -18 -22 36 o 9.2690  2.9680  -6.7149   15.908    -2.4679   21.717    -11.6323  23.368    9.5133  4.2334  9.0246  4.1612  0.4887419      5.936071 
1 1 1 -18 -22 37 o 26.912  3.3427  121.356   22.317    165.365   30.840    72.973    32.336    33.414  3.4977  20.410  5.6975  13.00320       6.685449 
1 1 1 -18 -21 1  o 35.838  2.1174  177.814   20.130    184.943   28.917    171.111   28.039    36.544  2.9802  35.131  3.0088  1.413002       4.234900 
1 1 1 -18 -21 2  o 19.923  2.7757  59.538    14.125    41.583    20.998    74.376    19.089    16.820  4.5505  23.026  3.1799  -6.206453      5.551462 
1 1 1 -18 -21 3  o 35.103  2.1897  171.856   20.193    150.992   28.997    191.499   28.136    32.913  3.3353  37.293  2.8381  -4.379482      4.379389 
1 1 1 -18 -21 4  o 22.850  2.4450  72.944    14.361    88.207    21.344    60.320    19.411    25.120  3.2483  20.580  3.6553  4.539955       4.890051 
1 1 1 -18 -21 5  o 36.141  2.1674  181.802   20.557    156.541   29.472    205.736   28.687    33.566  3.3217  38.716  2.7850  -5.150127      4.334736 
1 1 1 -18 -21 6  o 51.671  2.0983  366.688   28.819    404.794   41.159    330.036   40.365    54.369  2.8362  48.974  3.0931  5.394508       4.196545 
1 1 1 -18 -21 7  o 29.972  2.2842  125.211   17.808    147.188   25.381    103.901   24.993    32.694  2.9294  27.251  3.5054  5.442850       4.568316 
1 1 1 -18 -21 8  o 21.727  2.5806  66.214    14.394    79.228    21.341    55.353    19.497    23.768  3.4533  19.686  3.8355  4.082336       5.161107 
1 1 1 -18 -21 9  o 50.935  2.0584  355.247   27.964    350.487   39.432    360.064   39.663    50.587  2.9227  51.284  2.8993  -0.6976738     4.116787 
1 1 1 -18 -21 10 o 23.572  2.4933  78.015    15.255    80.071    21.653    75.989    21.497    23.899  3.4852  23.246  3.5664  0.6530914      4.986573 
1 1 1 -18 -21 11 o 49.515  2.0700  335.979   27.303    348.256   38.335    323.339   38.897    50.466  2.8476  48.564  3.0051  1.901676       4.139956 
1 1 1 -18 -21 12 f 26.436  2.3660  97.231    16.347    104.617   23.452    90.250    22.799    27.453  3.2527  25.419  3.4367  2.034157       4.731906 
1 1 1 -18 -21 13 f 21.839  2.7573  68.203    15.464    58.937    22.054    77.165    21.689    20.244  4.2048  23.434  3.5681  -3.190117      5.514642 
1 1 1 -18 -21 14 o 50.944  2.1006  356.417   28.456    377.135   39.662    334.439   40.850    52.531  2.8292  49.357  3.1058  3.174000       4.201256 
1 1 1 -18 -21 15 o 16.840  2.9296  40.506    13.495    56.015    19.594    26.509    18.613    19.821  3.8293  13.859  4.4348  5.961285       5.859262 
1 1 1 -18 -21 16 o 30.393  2.3997  128.620   19.121    116.762   27.019    140.517   27.064    28.915  3.5641  31.870  3.2143  -2.955490      4.799456 
1 1 1 -18 -21 17 o 66.567  2.1571  606.198   38.457    594.506   54.181    618.069   54.595    65.912  3.0690  67.222  3.0322  -1.310593      4.314249 
1 1 1 -18 -21 18 o 47.034  2.1239  303.852   26.602    314.345   37.614    293.351   37.628    47.871  2.9479  46.197  3.0583  1.673973       4.247714 
1 1 1 -18 -21 19 o 39.674  2.2131  217.991   23.179    192.945   32.924    242.604   32.638    37.317  3.3289  42.031  2.9172  -4.713596      4.426208 
1 1 1 -18 -21 20 o 57.127  2.1237  448.229   32.379    440.754   45.717    455.753   45.864    56.638  3.0245  57.616  2.9822  -0.9782524     4.247476 
1 1 1 -18 -21 21 o 45.769  2.1235  288.393   25.884    287.485   36.876    289.275   36.343    45.686  3.0307  45.851  2.9753  -0.1653748     4.247039 
1 1 1 -18 -21 22 o 79.197  2.3122  865.108   49.031    837.878   69.307    892.390   69.373    77.913  3.3211  80.481  3.2182  -2.567551      4.624489 
1 1 1 -18 -21 23 f 38.126  2.2306  200.986   22.519    220.749   32.738    183.238   31.025    39.939  3.0842  36.312  3.2234  3.626434       4.461247 
1 1 1 -18 -21 24 o 44.532  2.1429  274.617   25.368    264.894   36.425    283.775   35.350    43.714  3.1316  45.349  2.9259  -1.634354      4.285793 
1 1 1 -18 -21 25 o 66.785  2.2119  616.410   39.560    623.303   56.584    609.819   55.328    67.138  3.1466  66.432  3.1094  0.7055740      4.423721 
1 1 1 -18 -21 26 o 26.356  2.7652  100.090   18.533    125.749   26.786    76.524    25.670    29.871  3.4089  22.840  4.3549  7.030352       5.530468 
1 1 1 -18 -21 27 o 39.054  2.2761  213.729   23.550    201.353   33.522    225.788   33.091    37.866  3.3394  40.241  3.0938  -2.375462      4.552267 
1 1 1 -18 -21 28 o 25.119  2.8138  91.810    18.230    83.659    25.965    99.735    25.603    23.883  4.2129  26.355  3.7311  -2.472378      5.627612 
1 1 1 -18 -21 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -21 30 o 11.280  3.5094  2.6783    17.357    5.5400    19.343    -9.1544   39.332    10.201  4.2553  12.358  5.5817  -2.156924      7.018724 
1 1 1 -18 -21 31 o 10.299  3.0749  1.5978    15.084    13.978    21.692    -9.9924   20.989    11.768  4.6511  8.8303  4.0233  2.937571       6.149787 
1 1 1 -18 -21 32 o 13.986  2.9597  20.344    16.361    -24.1677  24.284    57.348    22.141    8.4761  4.0142  19.496  4.3505  -11.01952      5.919485 
1 1 1 -18 -21 33 o 15.146  3.5603  34.203    17.116    40.861    23.725    26.978    24.716    16.294  4.9777  13.998  5.0918  2.295618       7.120693 
1 1 1 -18 -21 34 o 18.112  3.5025  51.127    17.981    36.243    25.142    66.713    25.727    15.449  5.1676  20.775  4.7294  -5.326681      7.005090 
1 1 1 -18 -21 35 o 44.275  2.4853  285.960   28.484    349.991   40.177    221.255   40.388    49.746  3.0297  38.803  3.9406  10.94297       4.970677 
1 1 1 -18 -21 36 o 14.493  3.5857  31.358    17.421    38.807    24.482    23.717    24.794    15.686  5.0930  13.301  5.0489  2.384562       7.171431 
1 1 1 -18 -21 37 o 22.000  3.4996  78.338    20.177    87.922    28.356    68.509    28.716    23.627  4.6464  20.373  5.2345  3.254093       6.999203 
1 1 1 -18 -21 38 o 12.745  3.5305  19.969    18.086    8.0427    25.322    32.387    25.839    11.142  4.7679  14.348  5.2082  -3.205721      7.061005 
1 1 1 -18 -20 1  o 26.299  2.3066  96.913    15.778    85.585    22.422    108.026   22.206    24.674  3.4900  27.924  3.0170  -3.249392      4.613237 
1 1 1 -18 -20 2  o 7.6617  2.3504  -1.0193   8.7080    -3.4059   14.401    0.3563    10.933    7.9259  3.4908  7.3975  3.1484  0.5283494      4.700873 
1 1 1 -18 -20 3  o 21.819  2.5930  68.552    14.384    57.309    21.257    78.048    19.536    19.964  4.1123  23.674  3.1597  -3.710674      5.185980 
1 1 1 -18 -20 4  o 44.349  2.0525  269.372   24.239    278.442   34.449    260.479   34.113    45.103  2.8664  43.594  2.9386  1.508812       4.105091 
1 1 1 -18 -20 5  f 48.521  2.0445  322.035   26.407    345.274   37.608    299.435   37.088    50.284  2.8035  46.758  2.9768  3.525444       4.089089 
1 1 1 -18 -20 6  o 44.631  2.0634  272.554   24.525    277.599   34.586    267.451   34.784    45.060  2.8807  44.202  2.9550  0.8584023      4.126750 
1 1 1 -18 -20 7  f 43.847  2.0551  262.855   23.997    267.343   34.039    258.421   33.836    44.225  2.8894  43.468  2.9232  0.7575684      4.110217 
1 1 1 -18 -20 8  o 78.511  2.2402  841.479   47.105    854.712   66.746    828.349   66.487    79.135  3.1490  77.887  3.1870  1.247749       4.480311 
1 1 1 -18 -20 9  o 68.671  2.1310  642.382   39.196    644.723   55.353    640.028   55.510    68.800  3.0038  68.541  3.0236  0.2586288      4.262033 
1 1 1 -18 -20 10 o 65.993  2.1137  593.023   37.356    601.025   52.616    584.891   53.044    66.453  2.9561  65.532  3.0220  0.9216461      4.227416 
1 1 1 -18 -20 11 o 23.199  2.5732  75.997    15.171    57.604    21.123    95.596    21.804    20.100  4.0632  26.299  3.1585  -6.198984      5.146399 
1 1 1 -18 -20 12 o 24.079  2.4298  80.893    15.207    84.105    21.333    77.575    21.682    24.604  3.3221  23.554  3.5468  1.049934       4.859608 
1 1 1 -18 -20 13 o 36.135  2.1459  179.118   20.559    186.545   29.000    171.613   29.150    36.914  2.9579  35.355  3.1099  1.558479       4.291878 
1 1 1 -18 -20 14 o 34.602  2.1291  164.336   19.480    150.081   27.381    178.945   27.720    33.038  3.1315  36.167  2.8855  -3.128597      4.258276 
1 1 1 -18 -20 15 o 54.818  2.0714  409.969   30.298    407.817   42.419    412.210   43.291    54.679  2.9068  54.958  2.9517  -0.2789917     4.142704 
1 1 1 -18 -20 16 o 73.335  2.1867  733.303   42.950    728.277   60.416    738.438   61.071    73.083  3.0864  73.586  3.0985  -0.5029373     4.373361 
1 1 1 -18 -20 17 o 12.177  2.9085  15.792    12.009    31.878    18.405    3.8667    15.847    14.981  4.3377  9.3741  3.8760  5.606462       5.817081 
1 1 1 -18 -20 18 o 27.883  2.3897  108.297   17.330    123.314   24.630    93.573    24.388    29.901  3.1214  25.865  3.6194  4.035629       4.779393 
1 1 1 -18 -20 19 f 43.115  2.0810  254.576   23.884    249.854   33.833    259.267   33.722    42.704  2.9765  43.526  2.9092  -0.8222046     4.162100 
1 1 1 -18 -20 20 f 24.941  2.4697  87.271    15.985    81.131    22.920    93.084    22.303    24.012  3.6811  25.870  3.2934  -1.857443      4.939333 
1 1 1 -18 -20 21 o 52.937  2.0714  383.647   29.253    385.005   41.678    382.328   41.070    53.023  2.9462  52.851  2.9125  0.1719627      4.142772 
1 1 1 -18 -20 22 o 40.750  2.1167  228.191   22.915    242.804   32.738    214.155   32.085    42.059  2.9243  39.442  3.0610  2.617641       4.233338 
1 1 1 -18 -20 23 o 37.285  2.1805  191.829   21.571    191.250   30.948    192.377   30.081    37.212  3.1342  37.358  3.0324  -0.1461258     4.361001 
1 1 1 -18 -20 24 o 36.538  2.2325  185.768   21.492    167.743   30.930    202.598   29.886    34.723  3.3680  38.354  2.9314  -3.631229      4.464991 
1 1 1 -18 -20 25 o 41.342  2.1648  235.869   23.786    246.385   34.312    226.139   33.004    42.236  3.0536  40.448  3.0693  1.787624       4.329546 
1 1 1 -18 -20 26 o 34.923  2.2371  169.745   20.659    165.536   29.882    173.598   28.593    34.459  3.2770  35.388  3.0463  -0.9287148     4.474258 
1 1 1 -18 -20 27 o 47.453  2.1820  312.387   27.556    304.800   39.509    319.573   38.452    46.847  3.1672  48.060  3.0021  -1.212730      4.363971 
1 1 1 -18 -20 28 f 31.943  2.4522  143.251   20.593    156.294   30.261    132.001   28.104    33.317  3.4405  30.569  3.4952  2.747707       4.904444 
1 1 1 -18 -20 29 o 21.085  3.0926  65.439    16.872    73.535    24.841    58.506    22.988    22.344  4.3070  19.827  4.4393  2.516985       6.185267 
1 1 1 -18 -20 30 o 42.343  2.9832  252.889   30.139    275.292   56.810    244.114   35.554    42.967  5.0316  41.718  3.2064  1.249287       5.966375 
1 1 1 -18 -20 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -20 32 o 35.722  2.4285  181.613   22.883    197.102   32.576    166.526   32.150    37.320  3.2926  34.123  3.5704  3.197346       4.856904 
1 1 1 -18 -20 33 f 31.615  2.6809  146.810   21.410    186.307   30.353    107.698   30.205    36.319  3.1515  26.911  4.3378  9.407448       5.361770 
1 1 1 -18 -20 34 o 23.772  3.1535  85.559    19.288    74.133    27.343    96.875    27.211    21.957  4.7846  25.588  4.1093  -3.631346      6.307038 
1 1 1 -18 -20 35 o 44.995  2.3817  288.800   28.496    288.972   40.270    288.628   40.328    45.012  3.3645  44.978  3.3720  0.3305817E-01  4.763451 
1 1 1 -18 -20 36 o 20.308  3.3848  63.975    18.985    36.248    25.936    95.981    27.866    15.386  5.2481  25.231  4.2760  -9.845688      6.769541 
1 1 1 -18 -20 37 o 11.568  3.3367  12.591    16.318    12.837    22.714    12.327    23.459    11.547  4.6920  11.590  4.7455  -0.4268360E-01 6.673431 
1 1 1 -18 -20 38 o 23.731  3.3941  93.253    21.188    49.912    30.029    136.221   29.900    17.221  5.6429  30.241  3.7734  -13.02000      6.788270 
1 1 1 -18 -20 39 o 9.3086  3.0222  -9.4528   17.203    -6.7202   24.099    -12.2917  24.563    9.4907  4.3192  9.1265  4.2285  0.3641853      6.044469 
1 1 1 -18 -19 1  o 42.615  2.0272  248.578   22.995    246.236   32.900    250.814   32.152    42.403  2.9144  42.827  2.8186  -0.4244843     4.054426 
1 1 1 -18 -19 2  o 54.358  2.0304  403.333   29.457    404.556   41.808    402.128   41.512    54.438  2.8775  54.278  2.8655  0.1597748      4.060891 
1 1 1 -18 -19 3  o 16.715  2.8221  40.390    12.522    33.781    18.226    46.299    17.233    15.380  4.2719  18.051  3.6889  -2.670931      5.644197 
1 1 1 -18 -19 4  o 54.282  2.0199  401.427   29.249    418.822   41.712    384.599   41.026    55.454  2.8176  53.109  2.8950  2.344692       4.039728 
1 1 1 -18 -19 5  o 29.555  2.1816  120.345   16.981    115.305   24.383    125.091   23.662    28.917  3.2018  30.193  2.9641  -1.275671      4.363207 
1 1 1 -18 -19 6  o 54.969  2.0538  411.598   30.121    399.028   42.557    424.216   42.639    54.112  2.9473  55.826  2.8611  -1.713867      4.107625 
1 1 1 -18 -19 7  o 78.620  2.2370  841.410   47.100    859.961   66.747    823.012   66.473    79.494  3.1348  77.745  3.1921  1.749298       4.473995 
1 1 1 -18 -19 8  o 112.081 2.6715  1720.75   80.198    1741.36   113.867   1700.46   112.974   112.752 3.7704  111.410 3.7859  1.342239       5.343089 
1 1 1 -18 -19 9  o 43.071  2.0457  252.953   23.417    234.197   32.945    272.104   33.291    41.424  2.9894  44.717  2.7934  -3.293163      4.091403 
1 1 1 -18 -19 10 o 33.161  2.1495  150.864   18.773    133.004   26.362    169.237   26.739    31.109  3.2100  35.213  2.8596  -4.104889      4.298989 
1 1 1 -18 -19 11 o 17.545  2.6547  44.192    12.107    36.180    17.584    51.414    16.694    15.933  4.0973  19.157  3.3767  -3.224083      5.309488 
1 1 1 -18 -19 12 o 14.657  2.8845  29.534    11.983    40.162    17.760    20.653    16.234    16.785  4.0061  12.529  4.1512  4.255371       5.768938 
1 1 1 -18 -19 13 o 46.184  2.0233  291.015   24.841    308.455   34.730    272.748   35.544    47.642  2.7330  44.726  2.9841  2.915474       4.046555 
1 1 1 -18 -19 14 o 31.449  2.1979  135.909   18.171    120.116   25.496    152.212   25.904    29.529  3.2789  33.368  2.9279  -3.838120      4.395875 
1 1 1 -18 -19 15 o 10.615  2.8827  10.297    11.567    14.178    16.860    6.8448    15.899    11.348  4.1931  9.8821  3.9571  1.465990       5.765468 
1 1 1 -18 -19 16 o 23.457  2.5037  77.859    14.969    63.008    21.524    91.769    20.831    21.106  3.9526  25.807  3.0741  -4.700836      5.007342 
1 1 1 -18 -19 17 o 65.106  2.1036  576.390   36.652    601.494   51.686    550.995   51.983    66.557  2.8993  63.655  3.0489  2.901237       4.207297 
1 1 1 -18 -19 18 o 54.842  2.0503  409.796   29.989    427.310   42.451    392.348   42.371    56.034  2.8376  53.649  2.9600  2.385117       4.100504 
1 1 1 -18 -19 19 o 38.866  2.0437  206.325   21.113    214.985   30.080    197.917   29.640    39.685  2.8488  38.047  2.9310  1.637299       4.087404 
1 1 1 -18 -19 20 o 61.641  2.0680  516.831   34.129    537.203   48.557    496.940   47.980    62.855  2.8842  60.428  2.9644  2.427025       4.135959 
1 1 1 -18 -19 21 o 23.293  2.5533  76.380    15.349    71.388    22.217    80.938    21.231    22.485  3.8260  24.100  3.3821  -1.614922      5.106548 
1 1 1 -18 -19 22 o 22.250  2.6439  69.623    15.145    79.404    22.076    60.925    20.817    23.800  3.5734  20.700  3.8975  3.099947       5.287745 
1 1 1 -18 -19 23 o 30.965  2.2549  132.497   18.429    133.126   26.415    131.902   25.723    31.026  3.2258  30.904  3.1517  0.1223640      4.509852 
1 1 1 -18 -19 24 f 63.199  2.1099  546.022   35.705    534.313   50.704    557.540   50.288    62.508  3.0284  63.891  2.9386  -1.382736      4.219792 
1 1 1 -18 -19 25 o 24.027  2.6781  81.709    16.336    105.722   23.916    60.704    22.368    27.547  3.3074  20.507  4.2131  7.039719       5.356216 
1 1 1 -18 -19 26 o 46.482  2.1113  297.897   26.086    279.049   37.198    316.134   36.591    44.976  3.1068  47.989  2.8597  -3.012138      4.222614 
1 1 1 -18 -19 27 o 15.604  3.0593  31.419    14.992    60.339    22.350    7.7597    20.215    20.373  4.2339  10.835  4.4172  9.538793       6.118628 
1 1 1 -18 -19 28 o 13.381  3.2661  23.721    14.187    26.652    21.019    21.268    19.227    13.954  4.7247  12.808  4.5109  1.146702       6.532288 
1 1 1 -18 -19 29 o 42.686  2.2080  253.110   25.060    259.064   36.084    247.563   34.830    43.163  3.1427  42.210  3.1025  0.9536934      4.416066 
1 1 1 -18 -19 30 o 20.199  3.2102  60.683    16.929    63.265    24.622    58.368    23.314    20.598  4.5812  19.800  4.4983  0.7981701      6.420416 
1 1 1 -18 -19 31 o 27.231  2.7920  108.678   19.255    83.098    27.292    134.027   27.169    23.669  4.4689  30.793  3.3481  -7.124092      5.583959 
1 1 1 -18 -19 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -19 33 o 8.0797  2.6494  -15.6679  13.514    -22.6851  17.700    -5.8611   20.925    6.9461  3.3277  9.2133  4.1235  -2.267204      5.298726 
1 1 1 -18 -19 34 o 14.550  3.3269  25.930    17.017    0.5933    23.441    54.160    24.744    10.391  4.5175  18.708  4.8851  -8.317077      6.653711 
1 1 1 -18 -19 35 o 20.189  3.3975  62.499    18.887    36.821    25.866    91.826    27.643    15.611  5.2415  24.767  4.3244  -9.155826      6.795079 
1 1 1 -18 -19 36 o 12.392  3.3278  15.632    16.240    0.2005    22.690    31.838    23.253    10.147  4.4276  14.636  4.9693  -4.488688      6.655637 
1 1 1 -18 -19 37 o 46.133  2.5897  310.157   30.710    402.441   44.458    225.934   42.472    53.238  3.1315  39.028  4.1254  14.21045       5.179337 
1 1 1 -18 -19 38 o 26.608  3.3905  112.459   22.766    169.669   33.270    62.083    31.219    33.965  3.7177  19.251  5.6711  14.71430       6.781086 
1 1 1 -18 -19 39 o 17.127  3.3250  44.198    19.548    85.294    27.383    1.4897    27.915    23.279  4.5547  10.974  4.8455  12.30464       6.650082 
1 1 1 -18 -19 40 o 21.281  3.6204  80.468    21.940    112.032   29.752    42.839    32.485    26.734  4.3008  15.828  5.8253  10.90569       7.240884 
1 1 1 -18 -18 1  o 49.623  1.9930  335.398   26.378    335.883   37.553    334.925   37.061    49.653  2.8354  49.592  2.8016  0.6112289E-01  3.985990 
1 1 1 -18 -18 2  o 54.751  1.9937  407.436   29.152    429.096   41.382    386.098   41.074    56.252  2.7466  53.249  2.8906  3.003147       3.987392 
1 1 1 -18 -18 3  o 57.347  2.8118  469.935   38.101    493.404   45.361    413.710   70.211    60.322  2.8075  54.373  4.8727  5.948997       5.623600 
1 1 1 -18 -18 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -18 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -18 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -18 7  o 20.601  3.8988  59.840    20.725    0.0000    0.0000    59.840    20.725    ?       ?       20.601  3.8988  ?              ?        
1 1 1 -18 -18 8  o 13.562  3.2847  17.463    13.290    39.271    26.116    9.8424    15.438    16.817  5.2367  10.308  3.9667  6.509115       6.569470 
1 1 1 -18 -18 9  o 72.365  2.8706  725.983   50.130    699.622   92.245    737.031   59.718    70.997  4.8804  73.732  3.0238  -2.735413      5.741256 
1 1 1 -18 -18 10 o 75.361  2.9088  790.429   52.929    751.851   96.985    806.793   63.164    73.584  4.9495  77.137  3.0572  -3.552452      5.817563 
1 1 1 -18 -18 11 o 21.617  3.2989  72.810    17.393    49.120    31.499    83.202    20.862    18.685  5.7401  24.549  3.2530  -5.863544      6.597805 
1 1 1 -18 -18 12 o 24.940  2.9076  85.499    17.539    92.015    31.351    82.531    21.160    25.448  4.7748  24.433  3.3193  1.015514       5.815250 
1 1 1 -18 -18 13 f 51.804  2.8676  364.427   39.635    0.0000    0.0000    364.427   39.635    ?       ?       51.804  2.8676  ?              ?        
1 1 1 -18 -18 14 o 65.219  3.9694  583.755   69.011    0.0000    0.0000    583.755   69.011    ?       ?       65.219  3.9694  ?              ?        
1 1 1 -18 -18 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -18 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -18 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -18 18 o 44.419  2.0001  268.376   23.672    270.915   33.665    265.892   33.292    44.627  2.8310  44.211  2.8262  0.4159317      4.000229 
1 1 1 -18 -18 19 o 49.070  1.9985  327.454   26.156    326.596   37.075    328.305   36.905    49.003  2.8368  49.137  2.8157  -0.1339645     3.996966 
1 1 1 -18 -18 20 o 17.983  2.7423  46.808    12.892    34.064    18.598    58.594    17.886    15.489  4.3199  20.476  3.3791  -4.987351      5.484550 
1 1 1 -18 -18 21 o 11.306  2.6470  12.502    11.317    -9.2301   16.873    30.274    15.259    8.0177  3.6353  14.594  3.8485  -6.576239      5.293998 
1 1 1 -18 -18 22 o 56.060  2.0364  427.853   30.501    416.777   43.489    438.575   42.789    55.289  2.9473  56.832  2.8109  -1.542580      4.072779 
1 1 1 -18 -18 23 o 14.210  3.0904  28.175    12.964    24.807    18.866    31.188    17.845    13.593  4.4737  14.828  4.2647  -1.234767      6.180713 
1 1 1 -18 -18 24 o 22.814  2.5995  73.540    15.280    67.405    21.979    79.279    21.256    21.802  3.9074  23.826  3.4296  -2.023720      5.199010 
1 1 1 -18 -18 25 o 13.251  2.8162  19.407    13.235    44.957    18.698    -6.2431   18.735    17.682  4.0369  8.8203  3.9279  8.861408       5.632491 
1 1 1 -18 -18 26 o 51.927  2.0886  370.136   28.878    352.487   41.330    386.972   40.367    50.669  3.0597  53.185  2.8440  -2.516289      4.177296 
1 1 1 -18 -18 27 o 11.915  3.0901  16.008    13.191    9.0577    18.948    22.545    18.376    10.803  4.3220  13.028  4.4176  -2.224517      6.180165 
1 1 1 -18 -18 28 o 8.9081  2.7012  -3.6931   12.120    8.7465    17.530    -15.0857  16.776    10.446  4.1645  7.3699  3.4415  3.076390       5.402490 
1 1 1 -18 -18 29 o 63.569  2.1731  556.517   37.001    556.844   52.463    556.193   52.193    63.583  3.0805  63.554  3.0661  0.2891922E-01  4.346291 
1 1 1 -18 -18 30 o 7.2448  2.3689  -17.0203  11.642    -1.9498   15.423    -36.9822  17.750    8.3611  3.6492  6.1284  3.0215  2.232720       4.737719 
1 1 1 -18 -18 31 o 15.783  3.2816  36.841    14.796    37.202    20.703    36.463    21.154    15.853  4.6034  15.713  4.6781  0.1404295      6.563207 
1 1 1 -18 -18 32 o 14.023  3.2961  25.272    15.326    10.807    20.786    42.506    22.688    11.245  4.5168  16.801  4.8017  -5.555406      6.592259 
1 1 1 -18 -18 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -18 34 o 18.258  4.2285  46.659    20.005    42.798    22.160    63.665    46.509    16.751  4.7309  19.765  7.0099  -3.014700      8.456957 
1 1 1 -18 -18 35 o 15.499  3.4028  34.039    16.782    54.920    24.484    15.536    23.048    18.851  4.8280  12.148  4.7964  6.702996       6.805502 
1 1 1 -18 -18 36 o 9.2586  2.9513  -9.3193   15.791    -19.9614  22.316    1.3543    22.349    8.2911  3.9027  10.226  4.4284  -1.935028      5.902671 
1 1 1 -18 -18 37 o 20.826  3.6297  68.612    20.195    59.964    28.197    77.720    28.939    19.367  5.2873  22.285  4.9743  -2.917427      7.259394 
1 1 1 -18 -18 38 o 18.873  3.7806  57.720    19.967    55.115    27.571    60.594    28.957    18.455  5.2990  19.290  5.3939  -0.8350792     7.561282 
1 1 1 -18 -18 39 o 16.862  3.7138  45.250    20.034    23.044    28.536    66.835    28.133    13.482  5.3326  20.242  5.1703  -6.760619      7.427557 
1 1 1 -18 -18 40 o 17.282  3.8181  49.678    20.865    28.835    29.510    70.517    29.506    14.101  5.4681  20.463  5.3302  -6.362380      7.636129 
1 1 1 -18 -17 1  o 58.942  2.8420  470.814   44.867    0.0000    0.0000    470.814   44.867    ?       ?       58.942  2.8420  ?              ?        
1 1 1 -18 -17 2  o 48.861  1.9611  324.156   25.548    337.293   36.365    311.353   35.901    49.851  2.7339  47.871  2.8123  1.979866       3.922118 
1 1 1 -18 -17 3  o 41.923  1.9439  238.753   21.706    241.510   30.834    236.046   30.561    42.165  2.7452  41.681  2.7529  0.4834061      3.887735 
1 1 1 -18 -17 4  o 77.354  2.1647  811.107   44.848    815.233   63.846    807.088   63.013    77.545  3.0739  77.164  3.0488  0.3807144      4.329422 
1 1 1 -18 -17 5  f 12.732  2.7706  22.216    10.416    19.380    15.363    24.629    14.169    12.187  4.0382  13.277  3.7945  -1.090064      5.541258 
1 1 1 -18 -17 6  o 35.292  2.0313  169.625   19.025    163.454   26.878    175.822   26.933    34.634  2.9248  35.950  2.8197  -1.316166      4.062625 
1 1 1 -18 -17 7  o 36.812  1.9980  184.336   19.506    169.649   27.361    199.516   27.816    35.293  2.9207  38.331  2.7271  -3.038464      3.995919 
1 1 1 -18 -17 8  o 94.144  2.3661  1203.42   59.624    1156.21   84.443    1250.35   84.200    92.276  3.4166  96.013  3.2741  -3.737137      4.732100 
1 1 1 -18 -17 9  o 54.698  1.9797  404.844   28.946    393.688   40.664    416.302   41.212    53.893  2.8269  55.503  2.7722  -1.609909      3.959316 
1 1 1 -18 -17 10 o 62.454  2.0295  528.056   33.907    550.492   47.536    504.816   48.380    63.824  2.7806  61.083  2.9570  2.741058       4.059052 
1 1 1 -18 -17 11 o 54.508  1.9755  402.857   28.725    424.460   40.215    380.353   41.044    56.063  2.6781  52.954  2.9049  3.108624       3.950982 
1 1 1 -18 -17 12 o 41.706  1.9539  235.926   21.696    231.969   30.213    240.139   31.174    41.348  2.7437  42.065  2.7825  -0.7171593     3.907737 
1 1 1 -18 -17 13 o 66.785  2.0466  603.803   36.575    625.705   51.312    581.182   52.148    68.035  2.8158  65.535  2.9708  2.499626       4.093232 
1 1 1 -18 -17 14 o 42.119  1.9782  241.917   22.052    269.523   31.027    213.735   31.349    44.606  2.6083  39.632  2.9748  4.973412       3.956377 
1 1 1 -18 -17 15 o 12.394  2.4878  16.139    10.798    40.676    15.633    -6.2431   14.931    16.992  3.5494  7.7969  3.4869  9.194878       4.975603 
1 1 1 -18 -17 16 o 20.350  2.5576  58.356    13.332    69.854    18.938    47.056    18.773    22.471  3.2400  18.230  3.9582  4.241928       5.115157 
1 1 1 -18 -17 17 o 68.933  2.0733  643.369   38.277    635.107   54.253    651.558   54.013    68.486  2.9575  69.380  2.9065  -0.8943176     4.146673 
1 1 1 -18 -17 18 o 21.515  2.5723  65.829    13.936    88.799    19.981    44.072    19.446    25.433  2.9901  17.598  4.1865  7.835768       5.144647 
1 1 1 -18 -17 19 o 68.126  3.8649  635.994   70.234    0.0000    0.0000    635.994   70.234    ?       ?       68.126  3.8649  ?              ?        
1 1 1 -18 -17 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -17 21 f 15.953  3.4663  37.879    16.333    45.986    18.785    12.771    33.059    17.981  4.0034  13.925  5.6597  4.055588       6.932513 
1 1 1 -18 -17 22 o 38.580  2.0417  203.795   20.842    184.357   29.755    222.516   29.202    36.717  3.0533  40.444  2.7114  -3.727299      4.083387 
1 1 1 -18 -17 23 o 46.904  2.0150  299.513   25.140    326.149   36.016    274.205   35.107    48.969  2.7571  44.840  2.9393  4.129593       4.030064 
1 1 1 -18 -17 24 o 93.443  2.4187  1193.73   60.518    1164.53   85.838    1222.59   85.334    92.278  3.4729  94.609  3.3674  -2.331161      4.837447 
1 1 1 -18 -17 25 o 61.370  2.0706  512.400   34.026    518.775   48.834    506.385   47.437    61.732  2.9534  61.007  2.9030  0.7249069      4.141222 
1 1 1 -18 -17 26 o 23.105  2.6928  76.979    15.767    61.873    23.187    89.972    21.504    20.750  4.3127  25.461  3.2256  -4.710976      5.385504 
1 1 1 -18 -17 27 o 68.394  2.1578  639.930   39.488    608.822   55.953    670.796   55.736    66.700  3.1319  70.088  2.9689  -3.388527      4.315506 
1 1 1 -18 -17 28 o 6.0937  2.1062  -29.9164  11.363    -33.3343  15.768    -26.2237  16.389    5.7824  2.8503  6.4051  3.1016  -0.6226640     4.212381 
1 1 1 -18 -17 29 o 21.063  2.8968  64.477    15.701    48.287    22.027    81.197    22.385    18.152  4.5417  23.975  3.5969  -5.823265      5.793541 
1 1 1 -18 -17 30 o 10.114  2.7763  -0.9466   13.159    23.797    18.231    -27.8598  19.013    13.203  4.4002  7.0255  3.3866  6.177828       5.552527 
1 1 1 -18 -17 31 f 10.831  3.0589  8.7808    13.794    16.288    18.600    -0.3925   20.561    11.827  4.3974  9.8343  4.2532  1.992781       6.117726 
1 1 1 -18 -17 32 o 24.415  2.8822  86.825    18.107    78.486    25.912    94.782    25.313    23.119  4.3439  25.711  3.7893  -2.591774      5.764433 
1 1 1 -18 -17 33 o 12.783  3.2797  20.147    14.869    28.639    20.905    11.452    21.154    14.170  4.7114  11.396  4.5640  2.774374       6.559480 
1 1 1 -18 -17 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -17 35 o 16.387  3.6134  40.042    17.810    29.989    24.129    52.074    26.399    14.488  5.0564  18.286  5.1633  -3.798016      7.226807 
1 1 1 -18 -17 36 o 15.470  3.4167  34.883    17.530    55.693    23.959    10.906    25.718    19.009  4.7258  11.932  4.9359  7.077595       6.833484 
1 1 1 -18 -17 37 o 21.543  3.5399  73.420    20.703    46.215    29.080    101.377   29.480    17.120  5.5501  25.967  4.3954  -8.847027      7.079771 
1 1 1 -18 -17 38 o 13.745  3.6354  25.285    18.368    32.557    24.749    16.368    27.407    14.770  5.1229  12.721  5.1594  2.048842       7.270719 
1 1 1 -18 -17 39 o 31.474  3.0833  150.187   25.233    152.360   34.765    147.768   36.681    31.865  4.1736  31.083  4.5397  0.7815838      6.166660 
1 1 1 -18 -17 40 o 19.598  3.6917  62.193    20.947    35.946    28.567    92.721    30.808    15.151  5.4798  24.046  4.9484  -8.894779      7.383421 
1 1 1 -18 -17 41 f 16.388  3.6654  39.946    21.387    3.6238    29.869    78.158    30.636    11.341  5.0094  21.435  5.3523  -10.09464      7.330824 
1 1 1 -18 -16 1  o 61.954  1.9887  519.184   32.999    522.267   47.030    516.193   46.313    62.132  2.8260  61.776  2.7990  0.3564034      3.977484 
1 1 1 -18 -16 2  o 75.141  2.1397  764.630   43.065    770.621   61.045    758.695   60.762    75.436  3.0212  74.847  3.0309  0.5886459      4.279491 
1 1 1 -18 -16 3  o 40.166  1.9536  219.084   20.860    233.446   29.664    205.034   29.339    41.490  2.6837  38.842  2.8397  2.647923       3.907203 
1 1 1 -18 -16 4  o 94.962  2.3623  1223.37   60.076    1207.15   85.331    1239.31   84.594    94.324  3.3775  95.599  3.3037  -1.274986      4.724565 
1 1 1 -18 -16 5  o 12.460  2.7176  19.825    10.861    6.7657    15.572    32.194    15.155    9.8266  3.9227  15.093  3.7621  -5.266460      5.435131 
1 1 1 -18 -16 6  o 44.230  1.9407  265.335   22.858    276.210   32.209    254.302   32.443    45.160  2.6747  43.300  2.8126  1.860428       3.881315 
1 1 1 -18 -16 7  o 47.062  1.9371  300.018   24.310    301.977   34.165    298.010   34.597    47.223  2.7125  46.900  2.7663  0.3226204      3.874253 
1 1 1 -18 -16 8  o 80.848  2.1754  884.169   47.104    897.521   66.623    870.825   66.607    81.464  3.0533  80.232  3.0994  1.232567       4.350761 
1 1 1 -18 -16 9  o 38.098  1.9496  197.057   19.744    201.066   27.575    192.839   28.284    38.510  2.6902  37.687  2.8224  0.8233681      3.899141 
1 1 1 -18 -16 10 o 60.484  1.9696  494.477   31.865    519.555   44.820    468.846   45.311    62.052  2.6967  58.916  2.8713  3.135391       3.939114 
1 1 1 -18 -16 11 f 43.121  1.9215  251.995   22.069    255.366   30.852    248.464   31.580    43.427  2.6653  42.816  2.7685  0.6115532      3.842966 
1 1 1 -18 -16 12 o 47.582  1.9368  307.467   24.493    332.387   34.376    281.771   34.907    49.578  2.5977  45.585  2.8736  3.993008       3.873692 
1 1 1 -18 -16 13 o 35.853  1.9597  174.592   18.618    158.397   26.056    191.486   26.613    34.125  2.8776  37.581  2.6611  -3.456409      3.919396 
1 1 1 -18 -16 14 o 45.646  1.9118  282.370   23.251    292.238   32.702    272.283   33.064    46.468  2.6384  44.824  2.7675  1.643688       3.823605 
1 1 1 -18 -16 15 o 25.134  2.2346  87.705    14.464    102.993   20.330    72.036    20.582    27.476  2.8016  22.792  3.4820  4.683716       4.469189 
1 1 1 -18 -16 16 o 53.287  1.9464  384.483   27.681    374.276   39.030    394.812   39.264    52.567  2.7819  54.006  2.7231  -1.439156      3.892878 
1 1 1 -18 -16 17 o 36.345  1.9498  179.682   18.805    168.785   26.691    190.425   26.499    35.225  2.8535  37.465  2.6580  -2.240147      3.899628 
1 1 1 -18 -16 18 o 62.818  1.9865  533.394   33.422    533.203   47.517    533.582   47.018    62.804  2.8247  62.832  2.7938  -0.2870178E-01 3.972926 
1 1 1 -18 -16 19 o 27.395  2.1503  102.751   15.494    109.355   22.252    96.536    21.587    28.270  2.9837  26.520  3.0973  1.750372       4.300692 
1 1 1 -18 -16 20 o 12.784  2.8453  21.577    11.179    14.127    15.735    29.168    15.884    11.173  4.0630  14.395  3.9842  -3.222145      5.690504 
1 1 1 -18 -16 21 o 55.681  1.9879  420.378   29.571    410.584   42.304    429.737   41.352    54.995  2.8819  56.367  2.7389  -1.372009      3.975808 
1 1 1 -18 -16 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -16 23 o 46.071  2.8713  288.776   35.256    288.776   35.256    0.0000    0.0000    46.071  2.8713  ?       ?       ?              ?        
1 1 1 -18 -16 24 o 66.717  2.0621  603.936   36.794    649.607   52.587    560.135   51.499    69.211  2.8367  64.223  2.9938  4.988289       4.124285 
1 1 1 -18 -16 25 o 87.779  2.3430  1051.19   55.071    1026.40   78.051    1075.77   77.715    86.725  3.3600  88.832  3.2662  -2.107224      4.685949 
1 1 1 -18 -16 26 o 9.0315  2.7272  0.1296    11.696    -1.9922   16.812    2.1195    16.281    8.8258  3.8314  9.2371  3.8820  -0.4113808     5.454325 
1 1 1 -18 -16 27 o 54.506  2.0844  405.879   30.315    403.415   43.076    408.296   42.670    54.333  2.9711  54.679  2.9241  -0.3456116     4.168700 
1 1 1 -18 -16 28 o 76.869  2.2500  809.222   46.295    777.986   65.625    840.166   65.318    75.355  3.2514  78.383  3.1112  -3.027962      4.500093 
1 1 1 -18 -16 29 o 10.719  2.9163  5.5527    13.132    -11.1602  18.266    23.433    18.893    8.1743  3.7356  13.264  4.4794  -5.089249      5.832674 
1 1 1 -18 -16 30 o 15.095  3.2348  32.490    14.383    38.916    20.278    25.985    20.402    16.344  4.4929  13.846  4.6550  2.498352       6.469521 
1 1 1 -18 -16 31 o 27.892  2.6053  110.927   18.768    99.009    27.405    121.455   25.755    26.313  4.0155  29.471  3.3206  -3.157196      5.210649 
1 1 1 -18 -16 32 o 27.079  2.8993  107.333   19.542    71.628    27.240    145.191   28.050    21.953  4.7691  32.204  3.2984  -10.25109      5.798561 
1 1 1 -18 -16 33 o 16.398  3.4558  39.638    16.692    28.877    23.443    50.702    23.772    14.437  4.9871  18.360  4.7853  -3.922475      6.911606 
1 1 1 -18 -16 34 f 20.015  3.4231  60.744    18.126    58.664    24.871    63.101    26.472    19.674  4.7692  20.356  4.9117  -0.6820068     6.846164 
1 1 1 -18 -16 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -16 36 o 24.795  3.2084  93.123    20.386    111.865   28.962    74.719    28.700    27.614  4.0348  21.976  4.9896  5.637743       6.416823 
1 1 1 -18 -16 37 o 13.268  3.5605  22.191    17.417    20.422    23.990    24.162    25.328    12.927  4.9521  13.608  5.1173  -0.6806459     7.121046 
1 1 1 -18 -16 38 o 7.6095  2.5917  -31.7070  15.119    -43.1799  19.625    -14.9588  23.712    6.2490  3.0983  8.9701  4.1555  -2.721136      5.183421 
1 1 1 -18 -16 39 o 20.571  3.6325  68.156    20.656    91.019    29.318    45.619    29.107    24.268  4.6799  16.875  5.5569  7.392925       7.265036 
1 1 1 -18 -16 40 o 40.721  2.8453  246.377   30.144    299.408   43.934    199.208   41.435    45.229  3.6579  36.214  4.3593  9.015461       5.690686 
1 1 1 -18 -16 41 o 20.667  4.0219  74.174    23.022    78.702    31.002    68.607    34.374    21.645  5.3725  19.688  5.9864  1.956743       8.043717 
1 1 1 -18 -15 1  o 91.224  2.2990  1127.68   56.172    1139.63   79.885    1115.99   79.001    91.702  3.2524  90.746  3.2502  0.9553299      4.598015 
1 1 1 -18 -15 2  o 30.186  2.0026  124.406   15.946    135.224   22.526    113.542   22.575    31.540  2.6923  28.832  2.9654  2.707651       4.005251 
1 1 1 -18 -15 3  f 54.149  1.9283  396.269   27.903    412.167   39.609    380.607   39.314    55.271  2.6755  53.027  2.7776  2.244137       3.856635 
1 1 1 -18 -15 4  o 68.979  2.0310  642.488   37.525    641.674   53.183    643.295   52.953    68.934  2.8804  69.024  2.8642  -0.9018707E-01 4.062061 
1 1 1 -18 -15 5  o 13.098  2.6518  23.383    9.8918    29.780    14.545    17.878    13.493    14.540  3.7196  11.655  3.7807  2.884981       5.303683 
1 1 1 -18 -15 6  o 59.861  1.9677  483.365   31.548    476.848   44.482    489.960   44.750    59.453  2.7933  60.268  2.7722  -0.8151245     3.935440 
1 1 1 -18 -15 7  o 30.605  2.0182  127.369   16.317    116.965   22.751    138.391   23.416    29.293  2.9393  31.917  2.7665  -2.623114      4.036417 
1 1 1 -18 -15 8  o 51.628  1.8976  360.407   26.138    368.008   36.653    352.543   37.283    52.193  2.6303  51.063  2.7359  1.129421       3.795210 
1 1 1 -18 -15 9  o 25.622  2.1422  89.821    14.414    87.688    20.227    92.022    20.547    25.306  3.0452  25.938  3.0136  -0.6316166     4.284335 
1 1 1 -18 -15 10 o 65.412  1.9858  576.979   34.788    573.363   48.782    580.720   49.626    65.206  2.7930  65.619  2.8235  -0.4120789     3.971574 
1 1 1 -18 -15 11 o 52.440  1.9132  371.690   26.770    373.157   37.355    370.141   38.383    52.555  2.6624  52.326  2.7482  0.2282753      3.826386 
1 1 1 -18 -15 12 o 48.287  1.8769  315.161   24.176    315.189   33.828    315.131   34.565    48.294  2.6250  48.280  2.6834  0.1425171E-01  3.753859 
1 1 1 -18 -15 13 o 55.725  1.9108  418.507   28.516    410.790   39.940    426.530   40.725    55.201  2.7013  56.249  2.7031  -1.047386      3.821505 
1 1 1 -18 -15 14 o 34.938  1.9268  165.616   17.883    167.492   25.082    163.677   25.502    35.147  2.6847  34.729  2.7645  0.4178085      3.853520 
1 1 1 -18 -15 15 o 30.466  2.0070  127.094   16.033    109.109   22.762    144.804   22.588    28.257  3.0562  32.675  2.6024  -4.418226      4.014072 
1 1 1 -18 -15 16 o 34.117  1.9383  158.488   17.492    144.000   24.857    172.701   24.620    32.534  2.8824  35.700  2.5924  -3.166561      3.876644 
1 1 1 -18 -15 17 o 97.878  2.3756  1297.72   62.277    1319.08   88.323    1276.60   87.824    98.685  3.3414  97.071  3.3778  1.614052       4.751295 
1 1 1 -18 -15 18 o 37.948  1.9398  195.457   19.526    214.287   27.887    177.349   27.348    39.770  2.6329  36.126  2.8494  3.643951       3.879584 
1 1 1 -18 -15 19 o 37.992  1.9273  196.424   19.420    182.762   27.811    209.424   27.128    36.669  2.8541  39.315  2.5907  -2.646431      3.854590 
1 1 1 -18 -15 20 f 77.102  2.1213  804.562   43.797    796.617   62.439    812.256   61.449    76.717  3.0386  77.487  2.9607  -0.7701035     4.242533 
1 1 1 -18 -15 21 o 65.615  2.0145  581.836   35.384    610.673   50.723    554.499   49.386    67.205  2.8178  64.026  2.8798  3.179085       4.029046 
1 1 1 -18 -15 22 o 63.485  2.0176  545.267   34.296    547.508   49.198    543.149   47.835    63.604  2.8878  63.366  2.8184  0.2379608      4.035207 
1 1 1 -18 -15 23 o 45.441  1.9968  280.921   24.132    273.263   34.972    287.883   33.342    44.822  2.9291  46.059  2.7146  -1.237259      3.993577 
1 1 1 -18 -15 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -15 25 o 22.238  2.6713  69.524    15.299    77.013    21.745    62.183    21.529    23.504  3.5661  20.972  3.9783  2.532200       5.342618 
1 1 1 -18 -15 26 o 23.359  2.5610  76.052    15.450    85.508    22.469    67.571    21.279    24.796  3.4788  21.921  3.7594  2.874975       5.122087 
1 1 1 -18 -15 27 o 41.652  2.1223  237.391   23.501    232.051   33.619    242.495   32.866    41.172  3.0707  42.133  2.9305  -0.9612083     4.244660 
1 1 1 -18 -15 28 o 37.402  2.1421  192.258   21.229    181.624   30.353    202.440   29.701    36.346  3.1490  38.458  2.9048  -2.112179      4.284159 
1 1 1 -18 -15 29 o 13.945  3.0830  26.643    13.055    19.053    18.365    34.398    18.562    12.410  4.4045  15.480  4.3151  -3.069411      6.166000 
1 1 1 -18 -15 30 o 26.860  2.5245  101.065   17.628    113.262   25.388    89.712    24.494    28.504  3.3919  25.215  3.7401  3.289486       5.049076 
1 1 1 -18 -15 31 o 28.874  2.6309  117.832   19.759    129.827   27.871    105.712   28.016    30.465  3.4779  27.283  3.9486  3.182276       5.261870 
1 1 1 -18 -15 32 o 47.661  2.2636  314.822   28.671    340.504   40.991    290.223   40.118    49.621  3.0997  45.701  3.2995  3.920742       4.527123 
1 1 1 -18 -15 33 o 16.107  3.3491  35.598    16.472    17.054    22.237    58.147    24.521    12.466  4.7695  19.749  4.7030  -7.283013      6.698236 
1 1 1 -18 -15 34 o 23.569  3.2110  82.888    19.476    98.057    27.551    67.737    27.535    25.987  4.0936  21.151  4.9482  4.835802       6.422047 
1 1 1 -18 -15 35 o 40.225  2.5634  232.343   26.787    185.885   37.861    278.909   37.905    35.873  4.0088  44.577  3.1958  -8.704197      5.126783 
1 1 1 -18 -15 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -15 37 o 14.779  3.4165  30.913    16.204    45.818    23.713    17.857    22.193    17.202  4.9064  12.356  4.7558  4.846341       6.832993 
1 1 1 -18 -15 38 o 26.911  3.2872  111.116   22.370    146.305   32.169    78.167    31.128    31.637  3.8774  22.184  5.3094  9.452553       6.574484 
1 1 1 -18 -15 39 o 16.240  3.2741  33.479    19.472    78.360    27.371    -12.5122  27.708    22.520  4.6900  9.9600  4.5698  12.56021       6.548247 
1 1 1 -18 -15 40 o 25.792  3.7084  106.658   24.745    98.457    34.847    115.000   35.146    24.612  5.4316  26.973  5.0503  -2.361467      7.416714 
1 1 1 -18 -15 41 o 37.564  3.3407  216.186   32.363    197.067   41.643    245.341   51.425    35.795  4.4387  39.332  4.9938  -3.537342      6.681317 
1 1 1 -18 -15 42 o 13.486  3.1777  29.724    14.193    10.416    26.810    37.244    16.730    11.568  4.9270  15.403  4.0144  -3.834778      6.355344 
1 1 1 -18 -14 1  o 57.366  1.9324  444.008   29.686    433.602   42.031    454.366   41.933    56.690  2.7681  58.042  2.6973  -1.352356      3.864887 
1 1 1 -18 -14 2  o 48.172  1.9077  313.814   24.516    313.627   34.618    314.002   34.722    48.158  2.6946  48.185  2.7012  -0.2765656E-01 3.815434 
1 1 1 -18 -14 3  o 65.429  2.0019  578.098   35.013    535.705   49.500    620.545   49.531    63.009  2.9330  67.850  2.7255  -4.840740      4.003848 
1 1 1 -18 -14 4  o 101.627 2.4324  1396.97   66.207    1388.02   94.009    1405.78   93.256    101.297 3.4649  101.957 3.4148  -0.6606522     4.864819 
1 1 1 -18 -14 5  o 59.944  1.9842  484.281   31.858    485.835   45.005    482.720   45.102    60.041  2.7985  59.846  2.8136  0.1948090      3.968385 
1 1 1 -18 -14 6  o 76.669  2.1261  792.808   43.655    808.209   61.787    777.456   61.687    77.417  2.9797  75.920  3.0335  1.496704       4.252158 
1 1 1 -18 -14 7  o 81.196  2.1664  889.279   47.107    869.692   66.547    908.951   66.691    80.294  3.0943  82.097  3.0328  -1.803925      4.332724 
1 1 1 -18 -14 8  o 19.093  2.3297  51.275    11.267    67.650    16.154    35.763    15.723    22.243  2.7716  15.943  3.7455  6.299653       4.659420 
1 1 1 -18 -14 9  o 46.515  1.8664  291.859   23.145    279.902   32.159    304.708   33.335    45.523  2.6489  47.507  2.6300  -1.983719      3.732778 
1 1 1 -18 -14 10 o 21.416  2.1928  63.092    12.202    59.778    17.091    66.538    17.427    20.820  3.1644  22.012  3.0366  -1.192616      4.385679 
1 1 1 -18 -14 11 o 94.525  2.3046  1206.44   58.325    1236.23   82.113    1176.11   82.860    95.716  3.2029  93.335  3.3145  2.381165       4.609126 
1 1 1 -18 -14 12 f 78.469  2.1042  830.310   44.212    844.409   62.151    815.867   62.907    79.151  2.9316  77.787  3.0193  1.364212       4.208357 
1 1 1 -18 -14 13 o 51.327  1.8846  355.568   25.831    369.647   36.292    341.113   36.774    52.403  2.5856  50.251  2.7426  2.152565       3.769245 
1 1 1 -18 -14 14 o 92.401  2.2817  1152.79   56.470    1156.08   79.779    1149.48   79.941    92.535  3.2188  92.267  3.2347  0.2682037      4.563320 
1 1 1 -18 -14 15 o 56.036  1.8880  422.915   28.329    436.153   40.282    409.960   39.849    56.906  2.6428  55.165  2.6969  1.741608       3.775920 
1 1 1 -18 -14 16 o 32.163  1.9197  140.866   16.316    129.262   23.345    151.946   22.812    30.832  2.8594  33.494  2.5622  -2.662518      3.839434 
1 1 1 -18 -14 17 o 61.513  1.9653  510.536   32.361    495.256   46.078    525.408   45.459    60.595  2.8390  62.431  2.7185  -1.835712      3.930676 
1 1 1 -18 -14 18 o 97.532  2.3914  1287.79   62.459    1266.04   88.662    1309.21   88.002    96.701  3.4231  98.362  3.3402  -1.660484      4.782729 
1 1 1 -18 -14 19 o 80.590  2.1360  877.750   46.097    871.255   65.720    884.039   64.675    80.288  3.0560  80.892  2.9850  -0.6038742     4.271938 
1 1 1 -18 -14 20 f 58.471  1.9456  461.338   30.460    466.744   43.749    456.251   42.435    58.799  2.7779  58.143  2.7248  0.6559029      3.891201 
1 1 1 -18 -14 21 o 100.553 2.4160  1371.42   65.066    1392.02   92.551    1351.29   91.493    101.302 3.4109  99.804  3.4225  1.497551       4.832008 
1 1 1 -18 -14 22 o 57.277  1.9665  443.392   30.090    470.943   43.278    417.612   41.864    59.042  2.7366  55.513  2.8248  3.528915       3.933045 
1 1 1 -18 -14 23 o 13.783  2.7882  25.054    12.138    6.5958    17.408    42.521    16.934    10.220  4.1236  17.345  3.7540  -7.124674      5.576400 
1 1 1 -18 -14 24 o 63.395  2.0298  543.990   34.464    547.252   49.154    540.835   48.334    63.578  2.8865  63.212  2.8547  0.3663635      4.059690 
1 1 1 -18 -14 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -14 26 o 57.879  2.9651  455.718   45.813    455.718   45.813    0.0000    0.0000    57.879  2.9651  ?       ?       ?              ?        
1 1 1 -18 -14 27 o 108.471 2.6086  1611.07   75.768    1654.23   107.139   1567.89   107.165   109.957 3.6378  106.985 3.7398  2.972076       5.217205 
1 1 1 -18 -14 28 o 53.255  2.0738  386.468   29.454    399.383   42.360    374.379   40.982    54.118  2.9333  52.392  2.9322  1.725937       4.147504 
1 1 1 -18 -14 29 o 28.983  2.4752  117.255   18.718    107.151   26.878    126.770   26.082    27.683  3.7190  30.284  3.2672  -2.600901      4.950313 
1 1 1 -18 -14 30 o 36.567  2.2550  184.364   21.851    192.912   31.118    176.049   30.690    37.428  3.1329  35.707  3.2443  1.720047       4.510000 
1 1 1 -18 -14 31 o 20.131  3.1079  59.418    16.532    39.186    23.184    80.347    23.580    16.462  4.8966  23.800  3.8289  -7.337318      6.215825 
1 1 1 -18 -14 32 o 32.278  2.5338  146.094   21.417    164.027   30.709    129.109   29.886    34.304  3.3864  30.253  3.7700  4.051394       5.067539 
1 1 1 -18 -14 33 o 25.086  2.9826  91.209    19.280    97.222    26.923    84.880    27.623    26.050  3.9854  24.123  4.4386  1.926168       5.965299 
1 1 1 -18 -14 34 o 32.403  2.6656  149.427   22.683    153.820   31.855    144.910   32.305    32.938  3.6732  31.868  3.8637  1.070782       5.331145 
1 1 1 -18 -14 35 o 52.691  2.4032  390.923   33.624    426.444   47.690    355.810   47.415    55.196  3.2399  50.185  3.5503  5.011009       4.806422 
1 1 1 -18 -14 36 o 15.871  5.3907  37.273    27.363    0.0000    0.0000    37.273    27.363    ?       ?       15.871  5.3907  ?              ?        
1 1 1 -18 -14 37 o 30.447  3.0165  137.204   23.831    141.077   32.722    132.828   34.777    31.061  4.0280  29.834  4.4913  1.227015       6.032959 
1 1 1 -18 -14 38 o 7.0062  2.4327  -41.5739  15.811    -32.9585  21.134    -52.5260  23.829    7.1630  3.4811  6.8495  3.3991  0.3135133      4.865380 
1 1 1 -18 -14 39 o 20.075  3.7319  63.418    20.895    44.030    28.483    86.010    30.747    16.725  5.4965  23.424  5.0494  -6.698673      7.463757 
1 1 1 -18 -14 40 o 25.328  2.9829  95.469    17.983    99.717    32.626    93.615    21.552    25.164  5.0166  25.493  3.2288  -0.3284283     5.965823 
1 1 1 -18 -14 41 o 9.9769  2.9256  7.8069    12.223    -0.6043   23.281    11.008    14.362    10.042  4.4299  9.9118  3.8227  0.1303072      5.851261 
1 1 1 -18 -14 42 o 14.056  3.3530  25.150    14.004    49.064    26.620    15.998    16.467    17.071  5.2823  11.041  4.1312  6.030091       6.705932 
1 1 1 -18 -13 1  o 68.254  1.9929  627.893   36.432    627.477   51.660    628.306   51.387    68.230  2.8268  68.278  2.8099  -0.4765320E-01 3.985738 
1 1 1 -18 -13 2  f 30.005  1.9640  122.684   15.478    105.382   21.735    140.489   22.048    27.805  2.9641  32.206  2.5774  -4.401463      3.928026 
1 1 1 -18 -13 3  o 124.778 2.7566  2108.70   92.086    2046.44   130.702   2170.06   129.761   122.923 3.9697  126.632 3.8257  -3.708885      5.513130 
1 1 1 -18 -13 4  o 106.309 2.4524  1525.92   69.829    1532.63   99.127    1519.30   98.382    106.540 3.4737  106.078 3.4626  0.4614258      4.904714 
1 1 1 -18 -13 5  o 66.957  2.0045  603.594   35.945    613.964   50.861    593.247   50.808    67.534  2.8117  66.380  2.8576  1.154823       4.008945 
1 1 1 -18 -13 6  o 68.049  2.0059  623.281   36.560    614.422   51.538    632.254   51.870    67.561  2.8480  68.537  2.8255  -0.9760895     4.011823 
1 1 1 -18 -13 7  o 15.845  2.5808  35.288    10.781    41.646    15.327    29.062    15.167    17.273  3.4338  14.417  3.8536  2.856122       5.161515 
1 1 1 -18 -13 8  o 85.044  2.1642  974.879   49.246    1023.54   69.512    925.845   69.778    87.190  2.9765  82.899  3.1425  4.290703       4.328419 
1 1 1 -18 -13 9  o 25.898  2.0093  91.173    13.624    79.295    18.831    104.220   19.736    24.088  2.9824  27.707  2.6935  -3.618883      4.018651 
1 1 1 -18 -13 10 o 69.609  1.9865  652.886   36.980    688.734   52.008    616.227   52.593    71.555  2.7136  67.663  2.9020  3.892563       3.973023 
1 1 1 -18 -13 11 o 17.624  2.4996  43.860    11.373    53.497    15.990    33.993    16.179    19.688  3.1375  15.559  3.8921  4.129352       4.999207 
1 1 1 -18 -13 12 o 48.635  1.8566  319.173   24.084    327.189   33.884    310.987   34.239    49.261  2.5770  48.009  2.6732  1.251183       3.713131 
1 1 1 -18 -13 13 o 131.797 2.8406  2350.03   100.272   2315.98   141.640   2384.24   141.973   130.831 4.0419  132.762 3.9925  -1.930527      5.681275 
1 1 1 -18 -13 14 f 68.526  1.9864  632.152   36.456    622.548   51.541    641.769   51.572    68.002  2.8297  69.049  2.7885  -1.046989      3.972759 
1 1 1 -18 -13 15 o 82.216  2.1348  910.818   47.008    922.235   66.795    899.614   66.169    82.727  3.0144  81.704  3.0236  1.022438       4.269515 
1 1 1 -18 -13 16 o 27.119  2.0425  100.377   14.563    92.585    20.644    108.096   20.547    26.037  3.0159  28.201  2.7553  -2.163874      4.085022 
1 1 1 -18 -13 17 o 97.720  2.3501  1289.56   61.511    1297.77   87.375    1281.48   86.609    98.027  3.3277  97.413  3.3194  0.6148529      4.700248 
1 1 1 -18 -13 18 o 24.298  2.1729  81.697    13.660    72.580    19.981    89.696    18.716    22.941  3.3505  25.654  2.7676  -2.712456      4.345746 
1 1 1 -18 -13 19 o 34.116  1.9589  159.223   17.583    142.053   25.569    174.628   24.219    32.309  2.9884  35.923  2.5334  -3.613480      3.917741 
1 1 1 -18 -13 20 o 66.153  2.0267  591.743   35.836    558.523   51.288    623.433   50.093    64.315  2.9772  67.990  2.7507  -3.675148      4.053407 
1 1 1 -18 -13 21 o 32.490  2.0261  143.645   17.418    142.903   25.374    144.306   23.952    32.394  2.9570  32.586  2.7705  -0.1925545     4.052114 
1 1 1 -18 -13 22 o 45.801  1.9517  285.157   23.745    262.896   33.987    306.383   33.188    44.016  2.8990  47.586  2.6138  -3.570736      3.903377 
1 1 1 -18 -13 23 o 81.348  2.1998  895.934   47.923    919.760   68.195    872.687   67.360    82.422  3.0890  80.273  3.1329  2.149292       4.399615 
1 1 1 -18 -13 24 o 85.235  2.2958  985.606   52.406    977.586   74.547    993.441   73.687    84.881  3.2789  85.588  3.2143  -0.7072296     4.591628 
1 1 1 -18 -13 25 o 67.133  2.0951  610.257   37.663    630.869   53.786    590.428   52.756    68.250  2.9422  66.016  2.9835  2.234177       4.190265 
1 1 1 -18 -13 26 o 40.749  3.7386  228.510   40.350    0.0000    0.0000    228.510   40.350    ?       ?       40.749  3.7386  ?              ?        
1 1 1 -18 -13 27 o 106.854 3.6743  1560.37   105.160   1560.37   105.160   0.0000    0.0000    106.854 3.6743  ?       ?       ?              ?        
1 1 1 -18 -13 28 o 25.400  2.5214  89.816    16.681    90.290    23.756    89.355    23.428    25.463  3.5821  25.337  3.5495  0.1259365      5.042855 
1 1 1 -18 -13 29 o 22.499  2.8603  71.732    16.589    77.404    23.722    66.303    23.208    23.424  3.9193  21.574  4.1670  1.850256       5.720597 
1 1 1 -18 -13 30 o 47.586  2.1833  310.126   27.646    330.768   39.649    290.595   38.568    49.153  3.0263  46.018  3.1479  3.134521       4.366660 
1 1 1 -18 -13 31 o 45.660  2.2521  286.971   27.370    287.064   38.813    286.880   38.602    45.664  3.1935  45.656  3.1764  0.8140564E-02  4.504217 
1 1 1 -18 -13 32 o 34.715  2.4282  167.713   22.279    170.817   31.862    164.744   31.163    35.030  3.4402  34.401  3.4277  0.6292648      4.856360 
1 1 1 -18 -13 33 o 22.779  3.2240  77.913    19.025    108.438   26.899    47.356    26.913    27.684  3.7218  17.873  5.2655  9.810755       6.448055 
1 1 1 -18 -13 34 o 34.655  2.5844  170.121   23.483    152.433   33.372    187.471   33.051    32.736  3.8816  36.574  3.4133  -3.838261      5.168863 
1 1 1 -18 -13 35 o 36.566  2.5969  189.598   25.077    185.458   34.777    194.083   36.193    36.165  3.6396  36.967  3.7052  -0.8018379     5.193724 
1 1 1 -18 -13 36 o 8.3089  2.7050  -11.7554  13.697    -6.8612   17.283    -20.0215  22.461    8.2335  3.7111  8.3842  3.9366  -0.1506758     5.410055 
1 1 1 -18 -13 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -13 38 o 12.337  2.7380  22.387    12.147    -10.3236  22.724    35.472    14.373    9.1635  4.1795  15.510  3.5380  -6.346336      5.475924 
1 1 1 -18 -13 39 o 23.883  2.9290  79.594    17.148    103.898   30.616    68.484    20.700    26.182  4.5297  21.583  3.7147  4.599092       5.858049 
1 1 1 -18 -13 40 o 9.9081  2.7518  6.7543    12.323    -24.0048  22.699    19.606    14.673    8.0579  3.8349  11.758  3.9477  -3.700460      5.503699 
1 1 1 -18 -13 41 o 16.641  3.3748  46.319    15.837    31.275    29.412    52.462    18.794    14.658  5.5139  18.624  3.8929  -3.966264      6.749661 
1 1 1 -18 -13 42 o 15.831  3.3650  42.848    16.147    23.209    29.056    51.623    19.422    13.406  5.3560  18.256  4.0752  -4.849860      6.730064 
1 1 1 -18 -13 43 o 12.251  2.8733  21.604    14.103    -21.3513  26.243    39.048    16.724    8.7631  4.1567  15.738  3.9681  -6.975340      5.746689 
1 1 1 -18 -12 1  o 82.592  2.1546  919.318   47.650    898.259   67.610    940.102   67.166    81.645  3.0917  83.539  3.0017  -1.894714      4.309139 
1 1 1 -18 -12 2  o 61.561  1.9515  509.974   32.172    498.712   45.524    521.210   45.473    60.879  2.7918  62.244  2.7275  -1.364765      3.903005 
1 1 1 -18 -12 3  f 154.322 3.2243  3227.51   133.275   3235.86   189.127   3219.29   187.840   154.516 4.5697  154.128 4.5501  0.3882904      6.448667 
1 1 1 -18 -12 4  o 29.926  1.9203  121.631   15.189    128.940   21.312    114.087   21.652    30.863  2.6023  28.988  2.8246  1.875118       3.840611 
1 1 1 -18 -12 5  o 14.849  2.5281  30.697    9.9594    35.902    14.562    26.123    13.652    16.015  3.4930  13.682  3.6556  2.332303       5.056144 
1 1 1 -18 -12 6  o 36.448  1.8708  180.074   18.072    192.616   25.206    166.804   25.926    37.782  2.5049  35.114  2.7793  2.667442       3.741531 
1 1 1 -18 -12 7  o 22.783  2.2595  72.160    13.031    53.304    18.258    91.737    18.603    19.582  3.6142  25.985  2.7129  -6.403419      4.519094 
1 1 1 -18 -12 8  o 36.699  1.8885  182.467   18.376    191.011   25.420    173.114   26.595    37.622  2.5374  35.776  2.7977  1.845383       3.776943 
1 1 1 -18 -12 9  o 80.206  2.0999  865.246   45.109    864.185   63.339    866.337   64.257    80.159  2.9501  80.254  2.9893  -0.9521484E-01 4.199847 
1 1 1 -18 -12 10 o 70.389  2.0006  666.491   37.699    682.866   52.949    649.656   53.687    71.272  2.7736  69.507  2.8837  1.765289       4.001112 
1 1 1 -18 -12 11 o 53.809  1.8670  389.898   26.840    403.482   37.731    375.983   38.188    54.799  2.5706  52.820  2.7083  1.978401       3.734066 
1 1 1 -18 -12 12 o 28.708  1.9907  112.130   15.045    123.115   21.289    101.170   21.264    30.149  2.6636  27.266  2.9591  2.882813       3.981368 
1 1 1 -18 -12 13 o 94.553  2.3099  1204.41   58.472    1162.61   82.707    1246.18   82.678    92.903  3.3237  96.204  3.2086  -3.300117      4.619704 
1 1 1 -18 -12 14 o 49.644  1.8394  332.046   24.386    318.835   34.694    344.945   34.283    48.625  2.6741  50.663  2.5264  -2.038048      3.678807 
1 1 1 -18 -12 15 o 42.934  1.8288  248.421   20.912    264.700   30.091    233.214   29.082    44.303  2.5465  41.566  2.6257  2.737007       3.657691 
1 1 1 -18 -12 16 o 22.866  2.2334  73.323    12.925    55.864    18.593    89.650    17.980    20.048  3.5946  25.683  2.6518  -5.635141      4.466864 
1 1 1 -18 -12 17 o 60.755  1.9128  496.334   31.116    512.375   44.672    481.218   43.366    61.708  2.7027  59.802  2.7074  1.906116       3.825542 
1 1 1 -18 -12 18 o 74.455  2.0597  746.674   41.068    753.780   58.734    739.877   57.447    74.799  2.9316  74.112  2.8940  0.6873627      4.119367 
1 1 1 -18 -12 19 f 123.188 2.7068  2054.90   89.309    2039.71   126.683   2069.90   125.923   122.726 3.8538  123.649 3.8021  -0.9228439     5.413692 
1 1 1 -18 -12 20 o 84.478  2.2107  963.207   50.016    982.802   71.284    944.206   70.195    85.326  3.1190  83.631  3.1337  1.695290       4.421330 
1 1 1 -18 -12 21 o 61.413  1.9763  508.750   32.499    501.517   46.334    515.755   45.595    60.977  2.8369  61.849  2.7523  -0.8724327     3.952655 
1 1 1 -18 -12 22 o 71.597  2.1015  692.675   40.282    680.105   57.491    704.799   56.459    70.948  3.0253  72.247  2.9176  -1.298759      4.202948 
1 1 1 -18 -12 23 o 55.170  1.9821  412.069   29.194    396.671   41.803    426.731   40.790    54.110  2.8948  56.231  2.7083  -2.121243      3.964153 
1 1 1 -18 -12 24 o 24.104  2.3475  80.355    14.721    76.623    21.123    83.879    20.527    23.520  3.4561  24.688  3.1779  -1.168472      4.695078 
1 1 1 -18 -12 25 o 38.937  2.0868  206.417   21.567    204.976   31.314    207.717   29.746    38.788  3.0384  39.085  2.8612  -0.2973518     4.173513 
1 1 1 -18 -12 26 o 71.588  2.1846  695.082   41.877    688.864   59.753    701.084   58.709    71.262  3.1305  71.915  3.0479  -0.6531601     4.369141 
1 1 1 -18 -12 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -12 28 o 38.558  3.0527  198.077   27.819    187.128   32.478    228.241   53.906    36.925  3.3193  40.190  5.1242  -3.265270      6.105331 
1 1 1 -18 -12 29 o 16.456  3.0632  38.654    14.158    52.151    19.996    25.086    20.049    19.131  4.0296  13.781  4.6146  5.349954       6.126358 
1 1 1 -18 -12 30 o 50.014  2.1794  341.956   29.024    363.885   41.663    321.281   40.454    51.594  3.0281  48.434  3.1352  3.160503       4.358775 
1 1 1 -18 -12 31 o 18.774  3.2686  51.576    16.547    62.981    23.110    39.580    23.703    20.936  4.2661  16.612  4.9534  4.324139       6.537213 
1 1 1 -18 -12 32 o 18.588  3.2345  49.912    16.098    40.109    21.963    61.291    23.663    16.625  4.7149  20.552  4.4292  -3.927959      6.469023 
1 1 1 -18 -12 33 o 10.121  2.8504  0.7313    13.579    20.497    18.132    -24.5079  20.489    12.584  4.3837  7.6581  3.6443  4.925850       5.700731 
1 1 1 -18 -12 34 o 33.499  2.5641  158.435   22.561    168.511   31.532    147.867   32.293    34.685  3.4394  32.314  3.8039  2.371395       5.128292 
1 1 1 -18 -12 35 o 10.250  3.0197  4.4156    14.046    11.324    18.490    -5.0108   21.598    10.958  4.3058  9.5418  4.2350  1.416072       6.039465 
1 1 1 -18 -12 36 o 10.305  3.1242  1.7283    15.564    9.6929    19.159    -13.7248  26.687    10.782  4.3345  9.8288  4.5005  0.9531136      6.248387 
1 1 1 -18 -12 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -12 38 o 14.877  2.8257  35.650    14.471    -7.7407   25.137    57.158    17.697    9.9144  4.4715  19.839  3.4560  -9.924625      5.651371 
1 1 1 -18 -12 39 o 18.322  3.1140  47.698    14.131    62.201    25.993    41.613    16.836    19.958  4.8987  16.686  3.8458  3.271406       6.227973 
1 1 1 -18 -12 40 o 18.236  3.3852  48.585    15.696    62.837    28.756    42.536    18.733    19.769  5.3155  16.703  4.1933  3.065548       6.770381 
1 1 1 -18 -12 41 o 8.9556  2.6885  1.8288    11.758    -25.5443  23.484    10.986    13.583    8.1062  3.8697  9.8049  3.7333  -1.698618      5.376979 
1 1 1 -18 -12 42 o 14.032  3.3981  30.248    14.944    27.789    26.353    31.413    18.143    13.853  5.2177  14.211  4.3549  -0.3579798     6.796296 
1 1 1 -18 -12 43 o 14.751  3.5062  33.267    15.403    43.815    27.834    28.611    18.493    16.017  5.4369  13.485  4.4288  2.532172       7.012371 
1 1 1 -18 -11 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -11 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -11 3  o 125.188 5.4504  2127.95   182.761   0.0000    0.0000    2127.95   182.761   ?       ?       125.188 5.4504  ?              ?        
1 1 1 -18 -11 4  o 64.035  2.5341  547.975   39.764    567.390   72.854    539.737   47.457    64.697  4.2274  63.373  2.7958  1.324158       5.068264 
1 1 1 -18 -11 5  o 52.343  1.9005  369.032   26.553    368.936   37.336    369.130   37.772    52.338  2.6722  52.349  2.7031  -0.1037216E-01 3.800987 
1 1 1 -18 -11 6  o 130.003 2.7859  2278.21   97.008    2265.88   137.352   2290.48   137.029   129.649 3.9553  130.358 3.9245  -0.7082672     5.571896 
1 1 1 -18 -11 7  o 20.865  2.2720  59.885    12.288    59.009    17.187    60.802    17.576    20.708  3.2020  21.023  3.2242  -0.3150158     4.544065 
1 1 1 -18 -11 8  o 83.455  2.1419  936.184   47.875    931.918   67.282    940.559   68.137    83.264  3.0169  83.646  3.0412  -0.3825989     4.283735 
1 1 1 -18 -11 9  o 36.831  2.5114  186.854   22.427    177.581   40.087    191.079   27.058    36.041  4.2332  37.620  2.7033  -1.579472      5.022703 
1 1 1 -18 -11 10 o 36.580  3.4716  181.691   33.608    0.0000    0.0000    181.691   33.608    ?       ?       36.580  3.4716  ?              ?        
1 1 1 -18 -11 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -11 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -11 13 o 97.526  4.6505  1286.00   121.481   1286.00   121.481   0.0000    0.0000    97.526  4.6505  ?       ?       ?              ?        
1 1 1 -18 -11 14 o 48.080  1.8398  311.409   23.598    313.452   33.855    309.478   32.909    48.231  2.6306  47.929  2.5729  0.3011208      3.679668 
1 1 1 -18 -11 15 o 77.892  2.0773  815.786   43.334    830.443   61.807    801.616   60.774    78.580  2.9365  77.204  2.9389  1.376183       4.154577 
1 1 1 -18 -11 16 o 117.929 2.6259  1875.63   82.938    1903.68   117.951   1848.20   116.644   118.803 3.7067  117.056 3.7203  1.746994       5.251705 
1 1 1 -18 -11 17 o 80.212  2.1092  866.503   45.281    845.632   64.782    886.442   63.318    79.258  3.0516  81.166  2.9125  -1.908562      4.218353 
1 1 1 -18 -11 18 o 40.823  1.8709  224.823   20.324    229.752   29.579    220.414   27.974    41.243  2.6924  40.404  2.5986  0.8384819      3.741880 
1 1 1 -18 -11 19 o 156.973 3.2617  3346.18   137.126   3298.86   194.188   3393.25   193.664   155.847 4.6519  158.098 4.5733  -2.250687      6.523491 
1 1 1 -18 -11 20 o 107.818 2.4773  1570.48   71.537    1598.10   101.607   1543.34   100.737   108.762 3.4878  106.874 3.5190  1.887787       4.954665 
1 1 1 -18 -11 21 o 27.158  2.1743  101.447   15.407    91.399    22.324    110.587   21.291    25.807  3.3056  28.508  2.8255  -2.700935      4.348580 
1 1 1 -18 -11 22 o 72.902  2.1345  718.276   41.629    685.518   59.315    750.075   58.440    71.245  3.1083  74.559  2.9263  -3.314697      4.269035 
1 1 1 -18 -11 23 o 39.867  1.9919  217.121   20.941    188.224   29.972    244.681   29.271    37.204  3.0341  42.530  2.5817  -5.326080      3.983849 
1 1 1 -18 -11 24 o 31.990  2.1348  140.031   18.003    131.559   26.030    147.801   24.927    31.020  3.1777  32.959  2.8517  -1.939083      4.269680 
1 1 1 -18 -11 25 o 43.752  2.0513  260.591   23.839    246.041   34.265    274.241   33.189    42.533  3.0274  44.970  2.7688  -2.436794      4.102654 
1 1 1 -18 -11 26 o 96.345  2.4519  1261.98   63.266    1245.10   89.707    1278.68   89.237    95.691  3.5000  97.000  3.4347  -1.309044      4.903765 
1 1 1 -18 -11 27 o 25.722  2.5118  91.577    16.829    95.373    24.417    88.142    23.227    26.234  3.5674  25.210  3.5371  1.024311       5.023659 
1 1 1 -18 -11 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -11 29 f 61.893  2.1837  521.546   36.140    527.119   51.136    515.985   51.084    62.267  3.0660  61.518  3.1103  0.7490158      4.367465 
1 1 1 -18 -11 30 o 34.036  2.3807  160.186   21.329    146.164   30.339    173.889   29.990    32.494  3.5433  35.579  3.1806  -3.084961      4.761428 
1 1 1 -18 -11 31 o 18.803  3.1383  51.167    15.543    52.979    21.445    49.162    22.561    19.185  4.2819  18.422  4.5892  0.7624702      6.276559 
1 1 1 -18 -11 32 o 47.825  2.2629  314.887   28.802    318.612   40.189    310.954   41.299    48.143  3.1337  47.506  3.2655  0.6368179      4.525845 
1 1 1 -18 -11 33 o 27.390  2.8013  107.362   19.658    125.734   27.663    88.619    27.941    29.979  3.5116  24.802  4.3655  5.177326       5.602551 
1 1 1 -18 -11 34 o 19.474  3.3612  55.348    17.450    44.610    23.512    68.516    26.036    17.374  4.8613  21.575  4.6431  -4.201120      6.722376 
1 1 1 -18 -11 35 o 45.466  2.1307  280.765   25.321    316.195   40.715    258.419   32.335    47.665  3.2077  43.267  2.8053  4.397858       4.261343 
1 1 1 -18 -11 36 o 18.844  3.0366  49.862    14.546    65.380    24.557    41.476    18.054    20.936  4.5123  16.752  4.0649  4.183784       6.073245 
1 1 1 -18 -11 37 o 23.404  2.8906  82.106    16.331    75.374    28.209    85.500    20.029    22.232  4.8718  24.576  3.1125  -2.344198      5.781168 
1 1 1 -18 -11 38 o 33.584  3.9064  163.933   34.483    163.933   34.483    0.0000    0.0000    33.584  3.9064  ?       ?       ?              ?        
1 1 1 -18 -11 39 o 10.620  3.0112  10.671    12.556    4.9371    22.742    13.186    15.060    10.697  4.5465  10.543  3.9495  0.1547794      6.022396 
1 1 1 -18 -11 40 o 17.288  3.2729  40.496    14.891    67.778    26.835    28.359    17.899    20.799  4.8979  13.778  4.3426  7.021355       6.545750 
1 1 1 -18 -11 41 o 8.6295  2.7599  -8.7081   12.452    3.9690    22.810    -14.0904  14.863    10.503  4.5107  6.7558  3.1815  3.747331       5.519781 
1 1 1 -18 -11 42 o 11.069  3.0142  13.624    13.745    -11.1561  25.382    23.906    16.350    9.4807  4.3587  12.657  4.1646  -3.176314      6.028489 
1 1 1 -18 -11 43 o 36.625  2.5851  192.729   23.988    229.026   41.312    174.267   29.464    38.724  4.0425  34.526  3.2233  4.198147       5.170296 
1 1 1 -18 -10 1  o 22.013  2.1873  66.353    12.521    71.319    18.008    61.705    17.421    22.836  3.0181  21.189  3.1667  1.646717       4.374556 
1 1 1 -18 -10 2  o 119.821 2.6160  1933.31   83.955    1946.01   119.189   1920.81   118.278   120.211 3.7017  119.430 3.6974  0.7800903      5.231996 
1 1 1 -18 -10 3  o 81.309  2.1338  888.509   46.470    879.501   65.686    897.535   65.751    80.895  3.0315  81.723  3.0038  -0.8277817     4.267682 
1 1 1 -18 -10 4  o 91.572  2.2198  1127.15   54.443    1115.36   77.037    1138.91   76.951    91.091  3.1574  92.052  3.1210  -0.9603653     4.439588 
1 1 1 -18 -10 5  o 60.913  1.9282  498.071   31.452    482.980   44.083    513.718   44.887    59.972  2.7443  61.853  2.7094  -1.881104      3.856404 
1 1 1 -18 -10 6  o 45.851  1.8641  282.670   22.767    263.790   31.536    303.218   32.901    44.245  2.6736  47.456  2.5982  -3.210304      3.728143 
1 1 1 -18 -10 7  o 102.307 2.3819  1407.81   65.239    1453.70   92.081    1361.56   92.444    103.989 3.3059  100.625 3.4299  3.363686       4.763742 
1 1 1 -18 -10 8  o 81.781  2.1099  898.380   46.214    893.097   64.949    903.798   65.772    81.538  2.9739  82.023  2.9938  -0.4853745     4.219788 
1 1 1 -18 -10 9  o 144.493 3.0271  2813.96   117.146   2842.34   165.368   2785.37   165.973   145.231 4.2511  143.755 4.3105  1.475449       6.054113 
1 1 1 -18 -10 10 o 139.731 2.9277  2630.47   109.572   2624.12   154.749   2636.85   155.168   139.562 4.1397  139.900 4.1409  -0.3376465     5.855301 
1 1 1 -18 -10 11 o 129.993 2.7739  2276.02   96.542    2199.50   136.440   2352.76   136.622   127.793 3.9861  132.193 3.8585  -4.400749      5.547717 
1 1 1 -18 -10 12 o 42.895  1.8469  248.814   21.023    224.034   29.892    273.066   29.572    40.751  2.7548  45.038  2.4607  -4.286743      3.693764 
1 1 1 -18 -10 13 o 149.755 3.0739  3025.14   123.271   3106.48   174.797   2944.67   173.870   151.769 4.2999  147.741 4.3938  4.028107       6.147724 
1 1 1 -18 -10 14 o 118.670 5.0615  1905.24   160.882   0.0000    0.0000    1905.24   160.882   ?       ?       118.670 5.0615  ?              ?        
1 1 1 -18 -10 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -10 16 o 153.220 3.9496  3183.28   151.786   3174.42   184.705   3201.72   266.380   153.263 4.4994  153.176 6.4926  0.8711243E-01  7.899291 
1 1 1 -18 -10 17 o 34.628  1.9124  162.014   17.567    164.092   25.664    160.182   24.098    34.830  2.7740  34.427  2.6333  0.4028625      3.824798 
1 1 1 -18 -10 18 o 80.899  2.1352  880.648   46.261    882.818   66.000    878.553   64.861    80.994  3.0423  80.804  2.9968  0.1900787      4.270419 
1 1 1 -18 -10 19 o 131.900 2.8322  2351.44   100.058   2355.12   141.854   2347.79   141.155   132.001 4.0121  131.799 3.9985  0.2015839      5.664365 
1 1 1 -18 -10 20 o 77.007  2.1303  798.951   43.928    789.221   62.622    808.377   61.635    76.540  3.0546  77.475  2.9701  -0.9357452     4.260548 
1 1 1 -18 -10 21 o 82.185  2.2300  911.938   49.031    868.881   69.757    953.982   68.932    80.249  3.2453  84.121  3.0593  -3.872787      4.460014 
1 1 1 -18 -10 22 o 90.203  2.3191  1098.97   56.029    1096.42   79.608    1101.48   78.870    90.095  3.2989  90.312  3.2605  -0.2168274     4.638244 
1 1 1 -18 -10 23 o 55.279  2.0374  413.693   30.026    384.653   42.724    442.036   42.208    53.298  3.0050  57.260  2.7520  -3.962296      4.074761 
1 1 1 -18 -10 24 o 26.319  2.3607  96.219    16.049    82.895    23.210    108.425   22.216    24.461  3.6545  28.176  2.9894  -3.714659      4.721428 
1 1 1 -18 -10 25 o 57.903  2.0881  454.341   32.286    439.866   46.237    468.115   45.104    56.946  3.0424  58.861  2.8609  -1.914909      4.176181 
1 1 1 -18 -10 26 o 13.364  2.9519  23.861    12.080    31.802    16.893    15.550    17.282    15.016  4.0895  11.711  4.2581  3.304941       5.903887 
1 1 1 -18 -10 27 o 58.801  2.1347  469.262   33.548    461.194   47.760    477.119   47.133    58.251  3.0720  59.351  2.9649  -1.100693      4.269348 
1 1 1 -18 -10 28 o 24.156  2.6801  81.505    16.711    90.940    23.979    72.595    23.302    25.591  3.5976  22.722  3.9736  2.869194       5.360235 
1 1 1 -18 -10 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -10 30 o 22.644  2.8237  72.653    16.445    75.301    22.526    69.631    24.063    23.159  3.7603  22.130  4.2134  1.029110       5.647384 
1 1 1 -18 -10 31 o 7.1634  2.3693  -17.2573  10.695    -23.4176  13.277    -5.8729   18.049    5.6327  2.7424  8.6941  3.8645  -3.061331      4.738675 
1 1 1 -18 -10 32 o 54.817  2.3035  414.093   33.547    450.322   47.279    377.356   47.609    57.316  3.0911  52.318  3.4162  4.997543       4.607093 
1 1 1 -18 -10 33 o 15.709  2.9513  33.953    12.328    43.928    20.435    28.246    15.458    17.371  4.3901  14.047  3.9457  3.324015       5.902613 
1 1 1 -18 -10 34 o 44.545  2.1114  270.930   24.584    287.570   39.120    260.069   31.605    45.562  3.2264  43.528  2.7245  2.034046       4.222845 
1 1 1 -18 -10 35 o 18.664  2.8027  45.525    13.336    76.065    22.834    29.717    16.428    23.017  3.8389  14.310  4.0846  8.707614       5.605449 
1 1 1 -18 -10 36 o 7.9172  2.5091  -4.3853   9.9431    -3.8974   18.704    -4.5775   11.739    8.9537  3.9591  6.8807  3.0834  2.073079       5.018152 
1 1 1 -18 -10 37 o 12.315  3.0497  20.693    12.529    10.593    22.059    25.503    15.222    11.395  4.6263  13.234  3.9748  -1.838900      6.099314 
1 1 1 -18 -10 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -10 39 f 11.125  3.0274  13.873    12.973    -1.1405   23.746    20.261    15.489    10.234  4.4956  12.016  4.0559  -1.781582      6.054848 
1 1 1 -18 -10 40 o 11.266  2.6977  16.364    11.879    -18.9387  22.778    29.552    13.922    8.4486  3.9660  14.083  3.6580  -5.634081      5.395361 
1 1 1 -18 -10 41 o 11.528  3.1950  6.7926    13.991    32.891    25.715    -4.1821   16.675    14.791  5.2159  8.2647  3.6912  6.526159       6.389911 
1 1 1 -18 -10 42 o 10.165  3.0173  7.3047    12.997    2.4440    24.606    9.1855    15.306    10.579  4.6135  9.7507  3.8900  0.8284321      6.034595 
1 1 1 -18 -10 43 o 20.958  3.4234  65.345    18.059    96.934    31.968    50.539    21.886    24.242  5.0855  17.673  4.5844  6.569443       6.846887 
1 1 1 -18 -9  1  o 119.312 2.6400  1915.94   84.365    1917.68   119.766   1914.23   118.860   119.363 3.7460  119.260 3.7209  0.1033020      5.279990 
1 1 1 -18 -9  2  f 117.824 2.6260  1867.97   82.871    1857.44   117.535   1878.38   116.862   117.491 3.7349  118.158 3.6925  -0.6665268     5.252031 
1 1 1 -18 -9  3  o 119.500 2.6818  1921.72   85.822    1881.52   121.575   1961.65   121.167   118.248 3.8385  120.753 3.7463  -2.505074      5.363621 
1 1 1 -18 -9  4  o 168.898 3.4461  3848.99   155.882   3791.08   220.806   3906.52   220.096   167.620 4.9181  170.175 4.8287  -2.555725      6.892280 
1 1 1 -18 -9  5  o 96.346  2.3037  1247.14   59.449    1239.94   84.000    1254.36   84.147    96.067  3.2645  96.625  3.2513  -0.5582581     4.607378 
1 1 1 -18 -9  6  o 69.849  1.9927  654.825   37.273    636.453   52.367    673.690   53.064    68.855  2.8394  70.843  2.7965  -1.988159      3.985318 
1 1 1 -18 -9  7  o 105.175 2.4134  1486.47   67.986    1485.66   95.804    1487.29   96.494    105.147 3.4017  105.202 3.4244  -0.5525970E-01 4.826832 
1 1 1 -18 -9  8  f 110.436 2.4838  1640.38   73.406    1716.09   103.628   1564.12   103.996   113.005 3.4236  107.866 3.5995  5.138893       4.967658 
1 1 1 -18 -9  9  o 114.053 2.5201  1748.64   76.976    1710.50   108.612   1787.12   109.111   112.800 3.5949  115.306 3.5329  -2.506111      5.040262 
1 1 1 -18 -9  10 o 62.500  1.9020  525.152   31.754    570.346   44.947    480.119   44.867    65.194  2.5740  59.805  2.8010  5.389507       3.804037 
1 1 1 -18 -9  11 o 82.799  2.0967  920.580   46.499    926.587   66.001    914.661   65.519    83.067  2.9664  82.531  2.9639  0.5361176      4.193390 
1 1 1 -18 -9  12 o 118.009 2.6079  1873.19   82.400    1942.52   116.995   1804.96   116.073   120.183 3.6344  115.835 3.7411  4.348045       5.215844 
1 1 1 -18 -9  13 o 35.745  1.8314  172.354   17.405    173.397   25.079    171.385   24.176    35.846  2.6304  35.644  2.5490  0.2014084      3.662887 
1 1 1 -18 -9  14 o 80.295  2.0901  865.854   44.946    879.843   64.253    852.449   62.895    80.930  2.9641  79.661  2.9477  1.268509       4.180295 
1 1 1 -18 -9  15 f 148.306 3.0741  2966.25   122.111   2965.33   173.262   2967.16   172.126   148.280 4.3625  148.333 4.3323  -0.5282593E-01 6.148186 
1 1 1 -18 -9  16 o 35.486  3.3705  170.906   31.652    0.0000    0.0000    170.906   31.652    ?       ?       35.486  3.3705  ?              ?        
1 1 1 -18 -9  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -9  18 o 134.490 2.9021  2441.97   104.512   2384.33   148.170   2499.04   147.438   132.895 4.1626  136.085 4.0449  -3.189346      5.804181 
1 1 1 -18 -9  19 o 46.632  1.9253  294.542   23.835    269.599   34.229    318.020   33.208    44.681  2.8754  48.582  2.5611  -3.900242      3.850580 
1 1 1 -18 -9  20 f 64.654  2.0453  562.428   35.409    564.527   50.730    560.435   49.445    64.768  2.9243  64.540  2.8603  0.2283936      4.090568 
1 1 1 -18 -9  21 o 29.947  2.1842  124.251   16.850    98.265    24.237    148.564   23.444    26.768  3.4614  33.126  2.6647  -6.357740      4.368333 
1 1 1 -18 -9  22 o 67.331  2.0962  610.756   37.797    622.450   54.088    599.596   52.841    67.960  2.9714  66.702  2.9576  1.257347       4.192446 
1 1 1 -18 -9  23 f 50.812  2.0222  349.478   27.381    339.374   39.269    359.040   38.198    50.080  2.9404  51.543  2.7771  -1.463364      4.044485 
1 1 1 -18 -9  24 o 71.780  2.1573  695.965   41.469    691.448   59.145    700.333   58.159    71.544  3.0864  72.016  3.0150  -0.4723434     4.314688 
1 1 1 -18 -9  25 o 50.919  2.0731  351.205   28.136    368.942   40.276    334.298   39.322    52.186  2.8927  49.652  2.9703  2.534004       4.146147 
1 1 1 -18 -9  26 o 44.555  2.1166  269.745   25.111    273.121   35.479    266.356   35.546    44.840  2.9708  44.269  3.0158  0.5707474      4.233291 
1 1 1 -18 -9  27 o 69.866  2.2110  661.685   41.372    650.282   58.393    673.180   58.626    69.256  3.1478  70.476  3.1057  -1.220215      4.422013 
1 1 1 -18 -9  28 o 101.574 2.5808  1407.61   70.160    1461.00   98.796    1353.29   99.651    103.561 3.5617  99.587  3.7359  3.974678       5.161599 
1 1 1 -18 -9  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -9  30 o 58.813  2.2511  472.794   35.281    503.905   49.430    440.487   50.372    60.882  3.0312  56.743  3.3288  4.138500       4.502125 
1 1 1 -18 -9  31 o 15.246  2.7058  29.358    11.328    52.484    18.708    15.970    14.235    19.235  3.7659  11.257  3.8863  7.977868       5.411546 
1 1 1 -18 -9  32 o 28.900  2.2416  109.703   16.606    144.092   27.549    90.075    20.813    32.300  3.2274  25.500  3.1118  6.800833       4.483239 
1 1 1 -18 -9  33 o 73.755  2.1986  741.250   43.167    782.238   65.395    709.598   57.467    75.483  3.2345  72.027  2.9787  3.455849       4.397132 
1 1 1 -18 -9  34 o 18.527  3.0002  50.297    13.878    48.109    24.411    51.341    16.869    18.050  4.9161  19.005  3.4406  -0.9543877     6.000461 
1 1 1 -18 -9  35 o 38.974  2.2286  211.536   22.532    208.734   35.663    213.397   29.069    38.600  3.4871  39.347  2.7760  -0.7471504     4.457132 
1 1 1 -18 -9  36 o 17.961  3.0077  50.608    14.115    35.448    23.637    59.011    17.598    15.580  4.9988  20.343  3.3460  -4.762632      6.015344 
1 1 1 -18 -9  37 o 25.214  2.6290  85.445    16.624    122.491   28.021    65.322    20.651    29.239  3.6580  21.190  3.7771  8.048933       5.258042 
1 1 1 -18 -9  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -9  39 o 17.816  3.2075  49.455    14.802    44.637    26.101    51.738    17.971    16.906  5.2304  18.725  3.7142  -1.819204      6.415015 
1 1 1 -18 -9  40 o 25.192  2.7985  87.730    17.517    117.436   30.564    73.199    21.376    28.066  4.1944  22.319  3.7058  5.747583       5.596941 
1 1 1 -18 -9  41 o 19.560  3.3438  59.143    16.609    62.289    28.832    57.580    20.319    19.588  5.3460  19.531  4.0182  0.5747223E-01  6.687692 
1 1 1 -18 -9  42 o 17.930  3.4410  47.013    15.825    66.511    29.338    39.012    18.794    20.045  5.3604  15.815  4.3162  4.230019       6.882084 
1 1 1 -18 -9  43 o 9.5871  2.8642  2.8455    13.758    -27.7319  25.826    14.961    16.256    8.3588  4.0084  10.815  4.0923  -2.456573      5.728407 
1 1 1 -18 -8  1  o 102.008 2.3694  1398.35   64.733    1386.96   91.835    1409.61   91.260    101.592 3.3749  102.424 3.3265  -0.8311310     4.738738 
1 1 1 -18 -8  2  o 7.1602  2.0828  1.1153    6.4017    5.4047    10.114    -1.7521   8.2690    8.1909  3.1942  6.1295  2.6737  2.061368       4.165541 
1 1 1 -18 -8  3  f 50.364  1.8345  341.348   24.658    356.396   34.482    325.602   35.273    51.543  2.4977  49.186  2.6876  2.356586       3.669022 
1 1 1 -18 -8  4  o 96.417  2.2819  1249.28   58.859    1175.56   83.109    1323.46   83.369    93.554  3.3166  99.280  3.1351  -5.726097      4.563885 
1 1 1 -18 -8  5  o 255.404 4.9474  8847.22   338.436   8771.96   478.875   8922.31   478.366   254.303 7.0304  256.505 6.9627  -2.201294      9.894723 
1 1 1 -18 -8  6  o 122.937 2.6559  2031.52   87.446    2060.14   123.531   2002.77   123.805   123.808 3.7251  122.065 3.7867  1.743065       5.311806 
1 1 1 -18 -8  7  o 117.300 2.5850  1849.04   81.214    1860.23   114.612   1837.75   115.098   117.659 3.6368  116.942 3.6746  0.7171402      5.169981 
1 1 1 -18 -8  8  o 87.601  2.1630  1030.11   50.748    1013.64   71.477    1046.84   72.063    86.894  3.0710  88.308  3.0467  -1.413361      4.325901 
1 1 1 -18 -8  9  o 214.576 4.1673  6221.74   239.479   6105.41   338.580   6338.21   338.770   212.551 5.9472  216.600 5.8392  -4.049393      8.334592 
1 1 1 -18 -8  10 o 107.721 2.4317  1559.15   70.118    1628.77   99.486    1490.43   98.841    110.117 3.3730  105.325 3.5036  4.792603       4.863387 
1 1 1 -18 -8  11 o 107.795 2.4393  1561.25   70.422    1550.10   100.000   1572.21   99.189    107.411 3.4759  108.179 3.4232  -0.7684326     4.878511 
1 1 1 -18 -8  12 o 76.743  2.0082  790.306   41.272    810.396   58.878    770.898   57.870    77.703  2.8290  75.784  2.8509  1.918564       4.016324 
1 1 1 -18 -8  13 o 84.572  2.0991  959.949   47.533    997.443   67.919    923.954   66.547    86.192  2.9419  82.952  2.9951  3.239777       4.198290 
1 1 1 -18 -8  14 o 119.337 2.6102  1915.15   83.430    1936.04   118.587   1894.68   117.399   119.982 3.6901  118.693 3.6927  1.288696       5.220437 
1 1 1 -18 -8  15 o 47.776  1.8500  306.690   23.560    324.522   34.177    290.545   32.521    49.102  2.6080  46.451  2.6246  2.650661       3.700039 
1 1 1 -18 -8  16 o 96.926  2.3211  1262.96   60.254    1265.10   85.727    1260.86   84.707    97.005  3.2994  96.846  3.2655  0.1588440      4.642142 
1 1 1 -18 -8  17 o 105.105 2.4506  1486.22   68.985    1492.84   98.173    1479.77   96.958    105.334 3.4796  104.876 3.4516  0.4579773      4.901162 
1 1 1 -18 -8  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -8  19 o 28.578  2.1590  111.668   16.146    105.014   23.817    117.327   21.963    27.745  3.2676  29.410  2.8227  -1.665419      4.317926 
1 1 1 -18 -8  20 o 93.708  2.3529  1182.62   59.054    1193.75   84.032    1171.77   83.008    94.142  3.3325  93.273  3.3226  0.8690109      4.705844 
1 1 1 -18 -8  21 o 22.183  2.5616  68.142    14.644    76.250    20.938    60.377    20.490    23.541  3.4208  20.826  3.8137  2.715172       5.123108 
1 1 1 -18 -8  22 o 93.156  2.3586  1171.17   58.762    1253.71   83.572    1090.47   82.641    96.423  3.2359  89.888  3.4324  6.534523       4.717265 
1 1 1 -18 -8  23 o 17.125  2.8797  41.375    13.013    42.576    18.072    40.082    18.753    17.388  3.9679  16.861  4.1746  0.5264854      5.759442 
1 1 1 -18 -8  24 o 81.707  2.2992  902.266   50.306    926.503   71.203    878.111   71.083    82.812  3.2101  80.602  3.2925  2.209915       4.598431 
1 1 1 -18 -8  25 o 25.571  2.3699  89.984    15.840    90.438    22.318    89.523    22.485    25.642  3.3280  25.500  3.3749  0.1420269      4.739803 
1 1 1 -18 -8  26 o 10.196  2.7157  7.4806    11.143    19.381    15.104    -6.7334   16.507    12.174  4.0027  8.2178  3.6713  3.956118       5.431387 
1 1 1 -18 -8  27 o 35.398  2.2239  171.373   20.826    179.877   29.165    162.525   29.748    36.327  3.0248  34.468  3.2609  1.859230       4.447833 
1 1 1 -18 -8  28 o 37.406  2.2742  192.234   22.389    216.507   31.547    167.601   31.780    39.868  2.9757  34.944  3.4400  4.924709       4.548443 
1 1 1 -18 -8  29 o 46.751  2.5755  296.387   32.126    0.0000    0.0000    296.387   32.126    ?       ?       46.751  2.5755  ?              ?        
1 1 1 -18 -8  30 o 46.943  2.3343  299.740   29.013    283.898   38.740    319.975   43.782    45.565  3.1944  48.321  3.4045  -2.755665      4.668544 
1 1 1 -18 -8  31 o 31.470  2.2502  139.760   18.000    120.710   28.214    152.834   23.374    29.463  3.6535  33.476  2.6280  -4.012289      4.500495 
1 1 1 -18 -8  32 o 29.618  2.2112  118.379   16.924    134.161   27.406    108.651   21.517    31.133  3.3385  28.102  2.9003  3.031706       4.422371 
1 1 1 -18 -8  33 o 22.238  2.6218  70.139    14.488    69.305    23.992    70.618    18.177    21.961  4.2322  22.516  3.0959  -0.5552006     5.243655 
1 1 1 -18 -8  34 o 34.596  2.1549  161.540   19.434    187.089   31.126    145.217   24.880    36.746  3.1942  32.445  2.8933  4.301758       4.309800 
1 1 1 -18 -8  35 o 49.125  2.1270  328.411   27.495    364.365   43.210    303.951   35.641    51.279  3.1614  46.971  2.8463  4.308056       4.253943 
1 1 1 -18 -8  36 o 29.195  2.3911  113.577   17.809    152.712   29.727    91.667    22.243    32.925  3.4207  25.464  3.3419  7.461676       4.782229 
1 1 1 -18 -8  37 o 9.1952  2.7336  3.5999    11.210    -5.5418   19.994    7.7907    13.538    9.0613  4.0448  9.3291  3.6784  -0.2677994     5.467287 
1 1 1 -18 -8  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -8  39 o 15.000  3.1875  28.580    13.585    53.002    24.193    17.334    16.417    18.473  4.8337  11.528  4.1565  6.945409       6.375046 
1 1 1 -18 -8  40 o 38.226  2.4064  203.863   23.553    231.423   39.585    188.759   29.305    39.923  3.7457  36.530  3.0222  3.392574       4.812866 
1 1 1 -18 -8  41 o 40.280  2.5304  235.116   26.049    235.114   42.577    235.117   32.932    39.861  4.0439  40.699  3.0430  -0.8381348     5.060879 
1 1 1 -18 -8  42 o 27.842  2.9859  115.772   20.321    124.011   35.397    111.721   24.819    28.029  4.8930  27.655  3.4238  0.3736877      5.971890 
1 1 1 -18 -8  43 o 8.8863  2.8743  -7.8864   13.220    2.4493    26.144    -11.4368  15.323    10.709  4.7105  7.0633  3.2952  3.646046       5.748668 
1 1 1 -18 -7  1  o 141.361 2.9090  2687.88   110.142   2715.56   156.217   2660.52   155.315   142.087 4.1047  140.637 4.1231  1.450073       5.818001 
1 1 1 -18 -7  2  o 61.362  1.9126  505.175   31.433    503.660   44.201    506.725   44.711    61.270  2.6933  61.455  2.7162  -0.1851959     3.825179 
1 1 1 -18 -7  3  o 71.876  1.9724  693.272   37.941    656.773   53.371    730.565   53.948    69.960  2.8482  73.792  2.7295  -3.831512      3.944882 
1 1 1 -18 -7  4  o 174.622 3.4745  4108.48   162.434   3966.51   229.882   4250.05   229.550   171.590 5.0018  177.654 4.8241  -6.063553      6.949056 
1 1 1 -18 -7  5  o 192.499 3.8024  4996.13   196.051   5036.42   277.395   4955.92   277.121   193.279 5.3583  191.719 5.3965  1.560104       7.604861 
1 1 1 -18 -7  6  o 146.208 3.0315  2875.12   118.709   2831.14   167.772   2919.21   167.989   145.084 4.3173  147.332 4.2569  -2.248230      6.063028 
1 1 1 -18 -7  7  o 109.714 2.4366  1616.45   71.602    1607.05   101.156   1625.90   101.365   109.393 3.4523  110.034 3.4393  -0.6407394     4.873131 
1 1 1 -18 -7  8  o 175.531 3.4843  4149.56   163.814   4114.50   231.673   4184.61   231.662   174.785 4.9486  176.276 4.9065  -1.491302      6.968666 
1 1 1 -18 -7  9  f 166.569 3.3570  3735.44   149.754   3811.14   212.086   3660.18   211.484   168.259 4.7059  164.878 4.7888  3.381210       6.714026 
1 1 1 -18 -7  10 o 108.755 2.4400  1588.43   71.076    1593.34   100.969   1583.61   100.070   108.920 3.4609  108.589 3.4405  0.3312149      4.880090 
1 1 1 -18 -7  11 o 105.043 2.3829  1482.08   67.032    1463.15   95.359    1500.58   94.245    104.376 3.4109  105.710 3.3286  -1.333855      4.765892 
1 1 1 -18 -7  12 o 90.198  2.1763  1091.88   52.572    1112.85   75.024    1071.65   73.689    91.049  3.0764  89.347  3.0792  1.701729       4.352626 
1 1 1 -18 -7  13 o 130.769 2.7723  2299.41   97.102    2301.61   137.870   2297.25   136.781   130.829 3.9344  130.709 3.9069  0.1202698      5.544639 
1 1 1 -18 -7  14 o 51.885  1.8430  361.926   25.534    356.807   36.896    366.630   35.372    51.495  2.6843  52.276  2.5262  -0.7805519     3.686098 
1 1 1 -18 -7  15 o 61.705  1.9220  511.056   31.756    510.493   45.476    511.591   44.363    61.670  2.7531  61.740  2.6827  -0.6977081E-01 3.843977 
1 1 1 -18 -7  16 o 88.244  2.2272  1046.14   52.637    1051.58   74.997    1040.85   73.897    88.469  3.1649  88.019  3.1344  0.4495163      4.454358 
1 1 1 -18 -7  17 o 68.954  2.0437  641.146   37.588    583.848   53.782    695.862   52.555    65.919  3.0460  71.989  2.7256  -6.069511      4.087440 
1 1 1 -18 -7  18 o 60.526  1.9942  492.392   32.306    483.011   46.288    501.300   45.109    59.959  2.8822  61.092  2.7567  -1.132942      3.988331 
1 1 1 -18 -7  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -7  20 o 60.240  2.0275  487.851   32.711    491.086   46.654    484.723   45.877    60.436  2.8821  60.045  2.8525  0.3904152      4.055022 
1 1 1 -18 -7  21 o 81.208  2.2410  887.785   48.736    911.982   69.404    864.247   68.451    82.302  3.1484  80.114  3.1900  2.188530       4.481966 
1 1 1 -18 -7  22 o 114.951 2.6537  1784.96   81.699    1811.77   115.532   1758.14   115.548   115.822 3.7241  114.080 3.7815  1.741882       5.307431 
1 1 1 -18 -7  23 o 32.387  2.1595  142.651   18.506    141.352   26.405    143.905   25.945    32.234  3.0964  32.540  3.0108  -0.3061180     4.318928 
1 1 1 -18 -7  24 o 45.853  2.0513  284.594   25.063    279.816   35.367    289.414   35.521    45.462  2.9199  46.244  2.8821  -0.7826843     4.102688 
1 1 1 -18 -7  25 o 101.618 2.5614  1400.58   69.669    1445.58   97.930    1354.46   99.134    103.300 3.5394  99.937  3.7035  3.362495       5.122789 
1 1 1 -18 -7  26 o 57.115  2.1054  442.091   32.094    442.825   45.113    441.340   45.668    57.167  2.9563  57.062  2.9985  0.1056824      4.210782 
1 1 1 -18 -7  27 o 24.272  2.3624  86.915    13.836    60.967    21.732    104.601   17.942    20.798  4.0467  27.746  2.4390  -6.947685      4.724848 
1 1 1 -18 -7  28 o 41.354  2.0532  238.778   21.895    200.118   33.528    267.523   28.911    38.250  3.3050  44.459  2.4371  -6.208485      4.106458 
1 1 1 -18 -7  29 o 40.047  2.0084  215.576   21.146    235.268   33.068    201.953   27.505    41.547  2.9916  38.547  2.6807  3.000862       4.016883 
1 1 1 -18 -7  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -7  31 o 67.818  2.1324  625.399   38.482    629.375   57.880    622.248   51.519    67.951  3.1801  67.685  2.8417  0.2666397      4.264791 
1 1 1 -18 -7  32 o 12.683  2.8294  19.347    10.786    32.868    17.823    11.533    13.549    15.168  4.2284  10.199  3.7608  4.968877       5.658879 
1 1 1 -18 -7  33 o 39.253  2.0980  210.246   21.559    219.627   33.844    203.839   27.967    39.912  3.1925  38.595  2.7229  1.317650       4.195999 
1 1 1 -18 -7  34 o 26.173  2.4784  97.277    16.306    91.776    26.304    100.712   20.781    25.374  4.0029  26.971  2.9234  -1.596640      4.956785 
1 1 1 -18 -7  35 o 11.561  2.7080  15.181    12.088    -14.1746  20.198    31.561    15.088    8.3702  3.8627  14.752  3.7963  -6.382196      5.415953 
1 1 1 -18 -7  36 o 14.324  2.9237  31.766    12.349    15.068    21.778    39.678    14.992    12.076  4.6934  16.572  3.4877  -4.496371      5.847394 
1 1 1 -18 -7  37 o 27.235  2.6254  100.842   18.102    133.055   30.380    83.108    22.541    30.423  3.8118  24.047  3.6112  6.376278       5.250788 
1 1 1 -18 -7  38 o 33.892  5.3827  177.208   47.231    0.0000    0.0000    177.208   47.231    ?       ?       33.892  5.3827  ?              ?        
1 1 1 -18 -7  39 o 25.967  2.8375  96.916    18.265    108.211   31.294    91.081    22.493    26.794  4.5215  25.141  3.4297  1.653181       5.675097 
1 1 1 -18 -7  40 o 20.375  3.1804  59.843    15.805    74.840    29.029    53.525    18.843    21.794  5.0687  18.956  3.8428  2.837547       6.360735 
1 1 1 -18 -7  41 o 47.992  2.4050  326.197   29.919    352.500   48.755    310.307   37.893    49.203  3.7271  46.782  3.0406  2.420143       4.810064 
1 1 1 -18 -7  42 o 13.213  3.2230  26.469    14.093    14.157    25.238    32.048    16.989    12.006  4.9197  14.421  4.1651  -2.415326      6.446054 
1 1 1 -18 -7  43 o 20.885  3.4235  73.515    17.766    64.078    32.412    77.568    21.241    19.040  5.8183  22.730  3.6094  -3.690372      6.846933 
1 1 1 -18 -6  1  o 139.662 2.9772  2623.81   111.337   2554.10   157.743   2693.01   157.167   137.804 4.2737  141.519 4.1463  -3.715363      5.954462 
1 1 1 -18 -6  2  f 205.699 4.0256  5708.59   221.787   5668.90   314.061   5748.08   313.250   204.979 5.7203  206.420 5.6657  -1.441101      8.051165 
1 1 1 -18 -6  3  o 86.794  2.1643  1010.98   50.314    1004.80   71.056    1017.20   71.255    86.528  3.0659  87.061  3.0556  -0.5329895     4.328566 
1 1 1 -18 -6  4  o 192.647 3.8315  5003.71   197.622   4839.58   279.603   5167.54   279.357   189.468 5.5095  195.825 5.3260  -6.356750      7.662998 
1 1 1 -18 -6  5  o 173.385 3.4975  4047.74   162.404   3969.85   229.661   4125.64   229.688   171.707 4.9936  175.062 4.8984  -3.354477      6.995021 
1 1 1 -18 -6  6  o 84.400  2.1270  956.199   48.046    910.782   67.812    1001.98   68.084    82.383  3.0731  86.416  2.9414  -4.033585      4.253954 
1 1 1 -18 -6  7  o 109.207 2.4608  1601.35   71.979    1604.10   101.810   1598.60   101.778   109.300 3.4776  109.113 3.4825  0.1879196      4.921518 
1 1 1 -18 -6  8  o 110.628 2.4626  1643.40   72.966    1630.94   103.422   1655.75   102.959   110.209 3.5036  111.047 3.4615  -0.8386002     4.925146 
1 1 1 -18 -6  9  o 229.996 4.4166  7144.59   272.078   7206.25   385.282   7083.26   384.274   230.992 6.2272  229.001 6.2649  1.991272       8.833299 
1 1 1 -18 -6  10 o 148.876 3.0227  2980.50   120.525   2956.84   170.989   3003.86   169.913   148.284 4.3051  149.467 4.2442  -1.182983      6.045406 
1 1 1 -18 -6  11 o 40.396  1.7640  219.941   18.958    214.685   27.453    224.732   26.211    39.925  2.5810  40.867  2.4052  -0.9418411     3.527946 
1 1 1 -18 -6  12 o 71.421  1.9825  684.667   37.905    674.292   54.221    694.584   53.012    70.889  2.8556  71.953  2.7506  -1.063660      3.964913 
1 1 1 -18 -6  13 o 47.895  1.8329  308.964   23.384    301.678   33.841    315.622   32.350    47.345  2.6796  48.445  2.5016  -1.099869      3.665828 
1 1 1 -18 -6  14 o 80.029  2.1017  859.355   45.040    886.300   64.348    833.477   63.062    81.260  2.9565  78.799  2.9879  2.460564       4.203331 
1 1 1 -18 -6  15 o 81.393  2.1286  889.461   46.395    886.963   66.282    891.861   64.964    81.278  3.0446  81.507  2.9757  -0.2287064     4.257277 
1 1 1 -18 -6  16 o 15.752  2.7876  34.923    11.826    28.531    17.121    40.755    16.354    14.419  4.1861  17.085  3.6822  -2.666320      5.575178 
1 1 1 -18 -6  17 o 55.554  1.9472  414.180   28.964    419.975   41.616    408.736   40.336    55.929  2.7780  55.178  2.7292  0.7510834      3.894352 
1 1 1 -18 -6  18 o 72.085  2.1037  698.181   40.605    695.284   58.086    700.949   56.784    71.936  3.0147  72.234  2.9349  -0.2985611     4.207365 
1 1 1 -18 -6  19 o 71.807  3.9265  696.814   75.233    0.0000    0.0000    696.814   75.233    ?       ?       71.807  3.9265  ?              ?        
1 1 1 -18 -6  20 o 87.285  4.6287  1032.87   107.828   1032.87   107.828   0.0000    0.0000    87.285  4.6287  ?       ?       ?              ?        
1 1 1 -18 -6  21 o 63.429  2.0746  541.092   35.238    556.758   50.097    525.749   49.577    64.340  2.9070  62.517  2.9606  1.822357       4.149203 
1 1 1 -18 -6  22 o 84.415  2.2849  960.024   51.661    955.315   72.717    964.822   73.407    84.207  3.2240  84.622  3.2386  -0.4156723     4.569792 
1 1 1 -18 -6  23 o 120.523 2.7701  1965.26   89.416    1971.42   125.746   1958.97   127.172   120.723 3.8888  120.323 3.9460  0.3996201      5.540149 
1 1 1 -18 -6  24 o 35.258  1.9491  169.497   17.989    161.933   27.534    175.130   23.762    34.524  3.0076  35.992  2.4800  -1.468025      3.898182 
1 1 1 -18 -6  25 o 134.888 2.9738  2481.21   107.154   2349.64   154.418   2603.41   148.815   131.337 4.3896  138.439 4.0133  -7.101868      5.947648 
1 1 1 -18 -6  26 o 30.032  2.0253  120.412   15.900    139.075   24.971    107.686   20.620    31.952  2.9512  28.113  2.7746  3.838551       4.050616 
1 1 1 -18 -6  27 o 42.557  1.9479  243.909   21.863    257.605   33.739    233.995   28.705    43.553  2.9089  41.561  2.5915  1.991470       3.895855 
1 1 1 -18 -6  28 o 48.225  2.0108  319.039   25.446    293.931   38.640    338.265   33.812    46.459  3.1233  49.990  2.5335  -3.531296      4.021607 
1 1 1 -18 -6  29 o 41.524  1.9781  229.965   21.651    269.190   33.616    202.162   28.302    44.497  2.8353  38.552  2.7591  5.944195       3.956200 
1 1 1 -18 -6  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -6  31 o 20.680  2.5776  59.129    13.455    65.206    21.813    55.397    17.094    21.465  3.9393  19.895  3.3253  1.569765       5.155103 
1 1 1 -18 -6  32 o 43.808  2.0637  260.433   23.840    276.388   36.786    248.881   31.303    44.910  3.0766  42.705  2.7512  2.204937       4.127334 
1 1 1 -18 -6  33 o 7.6648  2.4108  -7.8388   9.5581    3.2898    16.473    -13.4873  11.736    9.4205  3.9280  5.9091  2.7962  3.511384       4.821624 
1 1 1 -18 -6  34 o 35.312  2.3167  177.188   20.724    156.250   33.189    190.569   26.532    33.343  3.7832  37.280  2.6749  -3.937675      4.633338 
1 1 1 -18 -6  35 o 25.982  2.9662  110.845   17.777    57.483    28.542    144.661   22.722    19.544  5.3129  32.420  2.6395  -12.87646      5.932418 
1 1 1 -18 -6  36 o 44.558  2.2411  277.789   25.992    270.708   40.843    282.609   33.697    43.886  3.5038  45.231  2.7951  -1.345150      4.482099 
1 1 1 -18 -6  37 o 23.410  2.8653  82.011    16.325    73.779    27.604    86.439    20.244    22.084  4.8035  24.737  3.1251  -2.653429      5.730591 
1 1 1 -18 -6  38 o 18.115  4.0074  48.836    18.929    0.0000    0.0000    48.836    18.929    ?       ?       18.115  4.0074  ?              ?        
1 1 1 -18 -6  39 o 17.018  3.2245  42.612    14.176    49.858    25.495    39.370    17.056    17.833  5.0877  16.202  3.9630  1.631369       6.449015 
1 1 1 -18 -6  40 o 10.130  2.7965  7.5256    12.680    -25.0322  23.668    20.633    15.017    8.2300  3.9166  12.030  3.9929  -3.799767      5.593071 
1 1 1 -18 -6  41 o 11.761  3.1034  16.822    14.285    -6.1632   25.477    27.363    17.253    10.014  4.5103  13.509  4.2641  -3.495537      6.206825 
1 1 1 -18 -6  42 o 14.349  3.4137  32.580    15.803    19.713    27.987    38.603    19.148    12.994  5.2335  15.703  4.3846  -2.709012      6.827453 
1 1 1 -18 -6  43 o 10.922  3.1419  11.222    15.157    -11.0650  27.651    20.795    18.122    9.8020  4.5220  12.041  4.3630  -2.239250      6.283710 
1 1 1 -18 -5  1  o 196.605 3.9002  5212.01   205.347   5101.54   290.729   5321.98   290.082   194.511 5.5803  198.699 5.4505  -4.188782      7.800463 
1 1 1 -18 -5  2  f 99.122  2.3094  1319.83   61.242    1246.61   86.600    1393.08   86.620    96.363  3.3552  101.880 3.1742  -5.516762      4.618771 
1 1 1 -18 -5  3  o 127.849 2.7077  2195.93   92.717    2171.50   131.277   2220.24   130.966   127.136 3.8550  128.561 3.8033  -1.424255      5.415394 
1 1 1 -18 -5  4  o 234.961 4.5248  7456.65   284.755   7523.64   403.058   7389.90   402.350   236.022 6.3757  233.900 6.4222  2.121597       9.049545 
1 1 1 -18 -5  5  o 139.056 2.9183  2599.34   108.665   2532.80   153.852   2665.57   153.499   137.273 4.1844  140.839 4.0690  -3.565918      5.836604 
1 1 1 -18 -5  6  o 209.118 4.0884  5898.60   228.908   5708.92   323.881   6087.91   323.568   205.734 5.8775  212.502 5.6848  -6.767624      8.176869 
1 1 1 -18 -5  7  o 205.396 4.0325  5688.77   221.793   5551.21   313.859   5825.99   313.465   202.898 5.7752  207.894 5.6294  -4.996368      8.064919 
1 1 1 -18 -5  8  o 199.888 3.8885  5384.51   208.186   5372.38   294.900   5396.56   293.939   199.660 5.5144  200.116 5.4839  -0.4556122     7.776949 
1 1 1 -18 -5  9  f 269.009 5.0715  9795.68   365.418   9776.02   517.266   9815.27   516.293   268.734 7.1862  269.284 7.1581  -0.5501099     10.14298 
1 1 1 -18 -5  10 o 88.928  2.1434  1060.99   51.051    1078.39   72.708    1044.08   71.696    89.647  3.0280  88.209  3.0345  1.437653       4.286843 
1 1 1 -18 -5  11 o 101.911 2.3589  1394.09   64.384    1418.78   91.586    1369.96   90.529    102.804 3.3261  101.018 3.3458  1.785439       4.717729 
1 1 1 -18 -5  12 o 162.461 3.3498  3552.62   145.753   3513.57   206.553   3591.36   205.701   161.565 4.7730  163.356 4.7012  -1.790939      6.699500 
1 1 1 -18 -5  13 f 138.252 2.8769  2569.71   106.527   2549.26   151.109   2589.92   150.198   137.702 4.0970  138.803 4.0400  -1.101089      5.753835 
1 1 1 -18 -5  14 o 244.719 4.6840  8105.48   307.022   8164.23   434.580   8046.94   433.812   245.611 6.6059  243.826 6.6425  1.784821       9.368073 
1 1 1 -18 -5  15 o 125.313 2.7176  2111.02   91.214    2112.29   129.477   2109.76   128.522   125.349 3.8564  125.277 3.8302  0.7180023E-01  5.435255 
1 1 1 -18 -5  16 o 96.865  2.3354  1260.66   60.575    1243.80   86.269    1277.06   85.077    96.222  3.3473  97.508  3.2575  -1.286224      4.670709 
1 1 1 -18 -5  17 o 110.719 2.5749  1648.26   76.357    1668.55   108.407   1628.28   107.568   111.396 3.6333  110.041 3.6495  1.354691       5.149728 
1 1 1 -18 -5  18 o 68.206  2.1028  624.846   38.410    626.907   54.809    622.857   53.844    68.315  2.9953  68.097  2.9521  0.2180634      4.205570 
1 1 1 -18 -5  19 o 82.771  2.2246  920.955   49.319    921.372   69.861    920.539   69.636    82.790  3.1504  82.753  3.1417  0.3656769E-01  4.449183 
1 1 1 -18 -5  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -5  21 f 95.935  2.4275  1239.55   62.374    1238.05   87.720    1241.09   88.710    95.879  3.4158  95.991  3.4503  -0.1120453     4.855065 
1 1 1 -18 -5  22 o 94.092  2.3186  1192.72   58.325    1192.59   85.094    1192.84   80.101    94.070  3.3772  94.114  3.1776  -0.4384613E-01 4.637105 
1 1 1 -18 -5  23 o 54.229  1.9413  397.754   27.902    384.258   41.831    408.571   37.450    53.338  2.9394  55.120  2.5366  -1.782318      3.882543 
1 1 1 -18 -5  24 o 26.417  2.0564  92.844    14.125    112.943   22.084    78.929    18.375    28.807  2.9016  24.028  2.9148  4.779091       4.112890 
1 1 1 -18 -5  25 o 66.322  2.0228  591.191   35.824    618.642   53.191    568.402   48.464    67.714  2.9327  64.930  2.7867  2.784485       4.045565 
1 1 1 -18 -5  26 o 94.196  2.4049  1206.80   60.397    1136.58   88.057    1269.17   82.995    91.537  3.5915  96.856  3.1992  -5.319252      4.809749 
1 1 1 -18 -5  27 o 38.162  1.9763  198.956   19.786    190.068   30.165    205.668   26.213    37.357  3.0410  38.968  2.5251  -1.610172      3.952691 
1 1 1 -18 -5  28 o 39.531  1.9900  211.748   20.712    216.995   31.831    207.895   27.277    39.917  2.9990  39.145  2.6166  0.7721481      3.980078 
1 1 1 -18 -5  29 o 19.130  2.6208  53.161    12.567    44.501    20.118    58.703    16.093    17.660  4.2944  20.599  3.0052  -2.939121      5.241535 
1 1 1 -18 -5  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -5  31 o 28.728  2.4525  121.021   17.186    88.605    26.956    143.220   22.307    25.043  4.1649  32.414  2.5910  -7.370419      4.905054 
1 1 1 -18 -5  32 o 20.694  2.6750  63.830    13.605    49.134    22.119    72.775    17.256    18.433  4.5156  22.955  2.8691  -4.522446      5.349988 
1 1 1 -18 -5  33 o 57.902  2.1489  459.323   32.880    457.867   50.271    460.411   43.467    57.686  3.2670  58.118  2.7923  -0.4317474     4.297725 
1 1 1 -18 -5  34 o 21.993  2.6149  63.689    14.361    97.174    24.038    45.105    17.908    26.305  3.4985  17.681  3.8874  8.624550       5.229825 
1 1 1 -18 -5  35 f 44.677  2.2383  280.328   25.874    259.784   40.689    294.273   33.525    43.079  3.5582  46.276  2.7166  -3.197750      4.476693 
1 1 1 -18 -5  36 o 20.889  2.9759  65.291    15.378    59.144    25.995    68.600    19.073    19.803  4.9222  21.975  3.3461  -2.171770      5.951818 
1 1 1 -18 -5  37 o 11.484  3.0592  12.353    12.118    25.076    21.958    6.7813    14.531    13.596  4.8172  9.3721  3.7723  4.224210       6.118421 
1 1 1 -18 -5  38 o 20.752  6.0218  69.910    35.437    0.0000    0.0000    69.910    35.437    ?       ?       20.752  6.0218  ?              ?        
1 1 1 -18 -5  39 o 12.406  2.7902  4.0541    12.099    51.318    22.724    -14.6465  14.294    18.245  4.6396  6.5672  3.1009  11.67755       5.580464 
1 1 1 -18 -5  40 o 13.881  3.3571  22.819    14.572    45.365    26.109    12.619    17.561    16.947  5.2292  10.815  4.2115  6.131718       6.714247 
1 1 1 -18 -5  41 o 11.555  3.2290  10.556    14.237    27.178    25.009    2.5876    17.316    13.868  5.1101  9.2432  3.9487  4.624393       6.458000 
1 1 1 -18 -5  42 o 14.207  3.5118  30.083    15.621    32.023    28.431    29.245    18.696    14.612  5.4360  13.803  4.4476  0.8089247      7.023619 
1 1 1 -18 -5  43 o 22.980  3.4523  94.923    19.697    62.771    34.421    110.576   24.018    18.599  6.0389  27.360  3.3471  -8.761181      6.904502 
1 1 1 -18 -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  7  o 211.245 4.8529  5863.18   261.475   5507.17   319.573   6584.22   454.793   202.075 5.9043  220.414 7.7035  -18.33870      9.705878 
1 1 1 -18 -4  8  o 281.114 5.3025  10703.69  399.254   10750.42  565.026   10657.09  564.238   281.731 7.4876  280.496 7.5101  1.235016       10.60501 
1 1 1 -18 -4  9  o 84.736  2.0983  963.234   47.622    975.078   67.729    951.652   66.973    85.251  2.9661  84.221  2.9688  1.030441       4.196619 
1 1 1 -18 -4  10 o 30.897  1.7920  128.504   14.678    137.568   21.417    120.476   20.154    31.930  2.5249  29.865  2.5438  2.064552       3.584075 
1 1 1 -18 -4  11 o 137.302 2.8831  2533.43   106.027   2548.70   150.424   2518.35   149.471   137.713 4.0781  136.891 4.0766  0.8222198      5.766190 
1 1 1 -18 -4  12 o 237.126 4.5832  7598.56   291.094   7559.78   412.009   7637.21   411.330   236.515 6.5037  237.738 6.4596  -1.222687      9.166448 
1 1 1 -18 -4  13 o 182.797 3.6658  4502.19   179.466   4433.91   254.094   4570.15   253.512   181.404 5.2295  184.189 5.1386  -2.785080      7.331637 
1 1 1 -18 -4  14 f 182.106 3.6323  4468.50   177.169   4509.28   250.968   4427.99   250.144   182.938 5.1218  181.275 5.1519  1.663010       7.264632 
1 1 1 -18 -4  15 o 122.636 2.7026  2021.28   88.769    2050.98   126.035   1992.04   125.047   123.531 3.8091  121.740 3.8349  1.790695       5.405150 
1 1 1 -18 -4  16 o 64.637  2.0021  560.545   34.655    568.856   49.644    552.646   48.399    65.104  2.8469  64.171  2.8158  0.9328461      4.004202 
1 1 1 -18 -4  17 o 100.824 2.4345  1366.16   65.740    1389.12   93.017    1343.25   92.923    101.673 3.4156  99.975  3.4701  1.698082       4.869076 
1 1 1 -18 -4  18 f 95.879  2.3832  1236.39   61.160    1285.21   86.289    1187.10   86.700    97.790  3.2943  93.969  3.4447  3.821800       4.766380 
1 1 1 -18 -4  19 o 71.178  2.0246  677.124   38.502    734.862   56.867    628.257   52.316    73.965  2.8705  68.391  2.8559  5.574013       4.049192 
1 1 1 -18 -4  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  21 o 63.187  2.4502  557.836   39.471    620.296   50.835    463.007   62.637    67.933  2.7938  58.442  4.0260  9.491020       4.900412 
1 1 1 -18 -4  22 o 69.355  2.0758  651.744   38.252    600.909   56.376    695.114   52.072    66.807  3.1506  71.903  2.7038  -5.096397      4.151677 
1 1 1 -18 -4  23 o 67.838  2.0132  616.858   36.494    657.578   53.920    582.438   49.573    69.891  2.8803  65.785  2.8134  4.106514       4.026349 
1 1 1 -18 -4  24 o 63.212  2.0000  537.810   33.748    543.549   49.940    532.985   45.785    63.508  2.9358  62.916  2.7169  0.5919113      4.000096 
1 1 1 -18 -4  25 o 78.615  2.1618  831.997   45.438    871.559   66.768    797.869   62.013    80.341  3.1027  76.888  3.0112  3.453171       4.323633 
1 1 1 -18 -4  26 o 63.950  2.0477  554.137   34.867    532.738   51.624    572.087   47.281    62.779  3.0701  65.122  2.7106  -2.343536      4.095494 
1 1 1 -18 -4  27 o 62.437  2.0928  534.492   34.452    472.511   51.029    586.407   46.702    58.963  3.2436  65.911  2.6454  -6.948288      4.185541 
1 1 1 -18 -4  28 o 58.505  2.0960  470.715   32.257    412.886   47.964    518.471   43.586    55.060  3.2669  61.950  2.6268  -6.889675      4.191935 
1 1 1 -18 -4  29 o 61.025  2.0408  499.002   33.173    564.219   50.130    448.194   44.247    64.530  2.9003  57.520  2.8719  7.009834       4.081644 
1 1 1 -18 -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  31 o 48.844  2.1111  329.294   26.983    303.270   41.274    348.718   35.658    47.033  3.2971  50.655  2.6372  -3.621513      4.222102 
1 1 1 -18 -4  32 o 63.829  2.1308  549.565   36.190    607.920   55.179    505.515   47.942    66.743  3.0866  60.915  2.9383  5.827175       4.261578 
1 1 1 -18 -4  33 o 16.191  2.5199  27.160    12.245    78.518    21.065    0.9466    15.049    23.671  3.4216  8.7112  3.7003  14.96025       5.039835 
1 1 1 -18 -4  34 o 14.528  2.7925  32.579    12.578    6.4889    21.079    47.006    15.675    10.854  4.4776  18.201  3.3383  -7.346684      5.585096 
1 1 1 -18 -4  35 o 16.036  3.1728  36.519    13.623    42.093    23.362    33.647    16.768    16.877  4.8870  15.195  4.0476  1.682513       6.345533 
1 1 1 -18 -4  36 o 32.798  2.3421  146.061   19.740    173.328   32.828    130.617   24.706    35.022  3.5485  30.574  3.0578  4.448372       4.684224 
1 1 1 -18 -4  37 o 18.344  3.1611  49.406    14.767    54.603    25.484    46.779    18.119    18.875  4.9717  17.813  3.9053  1.061937       6.322116 
1 1 1 -18 -4  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -4  39 o 42.595  2.3195  246.618   25.588    312.062   42.431    209.216   32.077    46.760  3.4113  38.430  3.1438  8.329891       4.639039 
1 1 1 -18 -4  40 o 11.816  3.2211  12.572    13.255    28.501    25.291    6.5386    15.565    14.171  5.1513  9.4615  3.8688  4.708969       6.442283 
1 1 1 -18 -4  41 o 41.344  2.5644  248.017   27.006    251.744   44.672    245.870   33.903    41.123  4.1107  41.564  3.0670  -0.4406052     5.128804 
1 1 1 -18 -4  42 o 10.943  3.0078  12.970    13.712    -13.3683  26.101    23.010    16.115    9.4378  4.3679  12.447  4.1364  -3.009438      6.015677 
1 1 1 -18 -4  43 o 21.169  3.4993  75.217    18.328    71.727    33.660    76.689    21.851    19.920  5.8943  22.417  3.7733  -2.496786      6.998570 
1 1 1 -18 -3  1  o 149.016 3.1017  2986.28   123.774   2918.00   175.186   3054.34   174.901   147.308 4.4400  150.725 4.3323  -3.416641      6.203438 
1 1 1 -18 -3  2  o 190.957 3.7853  4913.90   193.515   4741.96   273.838   5085.42   273.506   187.598 5.4497  194.315 5.2550  -6.716385      7.570646 
1 1 1 -18 -3  3  o 138.547 2.9307  2581.43   108.674   2480.18   154.272   2681.16   153.113   135.837 4.2401  141.257 4.0468  -5.419479      5.861346 
1 1 1 -18 -3  4  o 130.906 2.8111  2302.01   98.559    2337.96   140.275   2266.97   138.508   131.916 3.9700  129.897 3.9810  2.019272       5.622199 
1 1 1 -18 -3  5  o 58.789  1.8626  464.272   29.280    442.000   41.905    485.519   40.929    57.406  2.7254  60.172  2.5395  -2.765617      3.725153 
1 1 1 -18 -3  6  o 122.249 2.6348  2006.99   86.259    2059.14   122.447   1955.61   121.534   123.828 3.6918  120.669 3.7602  3.159172       5.269596 
1 1 1 -18 -3  7  o 195.316 4.7391  5090.53   235.206   5358.06   406.842   4956.23   288.262   198.862 7.6381  191.770 5.6120  7.091812       9.478147 
1 1 1 -18 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -3  9  o 190.388 5.4364  4915.48   277.024   5101.85   390.229   4726.13   393.331   194.081 7.5067  186.695 7.8657  7.385788       10.87288 
1 1 1 -18 -3  10 o 79.476  2.0904  847.533   44.489    841.456   63.484    853.399   62.366    79.194  2.9928  79.757  2.9194  -0.5635605     4.180863 
1 1 1 -18 -3  11 o 26.934  1.9494  98.225    13.848    100.234   20.175    96.435    19.041    27.191  2.8107  26.678  2.7020  0.5129185      3.898827 
1 1 1 -18 -3  12 o 31.506  1.9335  133.724   16.128    143.214   23.574    125.374   22.113    32.562  2.7281  30.450  2.7407  2.111996       3.867040 
1 1 1 -18 -3  13 o 187.175 3.7133  4720.21   186.147   4799.08   263.639   4641.80   262.865   188.742 5.2150  185.608 5.2875  3.133942       7.426535 
1 1 1 -18 -3  14 o 127.800 2.7785  2195.75   95.027    2311.25   134.839   2081.79   133.943   131.150 3.8385  124.450 4.0182  6.700165       5.556977 
1 1 1 -18 -3  15 o 185.912 3.7336  4659.86   185.915   4683.02   262.842   4636.68   263.006   186.378 5.2652  185.446 5.2949  0.9312286      7.467135 
1 1 1 -18 -3  16 o 136.991 3.5193  2509.50   123.287   2463.94   152.446   2595.65   209.607   135.331 4.2056  138.650 5.6441  -3.318680      7.038699 
1 1 1 -18 -3  17 o 169.700 3.4242  3880.31   155.601   3996.79   222.705   3769.22   217.494   172.190 4.8287  167.209 4.8562  4.980240       6.848317 
1 1 1 -18 -3  18 o 99.108  2.3624  1321.30   62.602    1297.07   90.778    1343.27   86.446    98.229  3.4502  99.987  3.2278  -1.757378      4.724735 
1 1 1 -18 -3  19 o 126.975 2.7893  2173.15   94.755    2120.14   136.277   2222.75   131.842   125.455 4.0555  128.495 3.8307  -3.040291      5.578651 
1 1 1 -18 -3  20 o 78.923  2.1273  835.388   44.898    868.792   65.781    806.253   61.434    80.392  3.0549  77.454  2.9613  2.938789       4.254569 
1 1 1 -18 -3  21 o 49.054  4.0888  326.936   53.233    326.936   53.233    0.0000    0.0000    49.054  4.0888  ?       ?       ?              ?        
1 1 1 -18 -3  22 o 75.027  2.0953  754.872   42.032    801.735   61.698    714.287   57.417    77.190  2.9842  72.864  2.9420  4.326355       4.190531 
1 1 1 -18 -3  23 o 26.057  2.1111  89.961    13.979    126.226   21.705    64.259    18.273    30.516  2.6828  21.597  3.2604  8.919571       4.222284 
1 1 1 -18 -3  24 f 82.309  2.2309  916.518   49.002    876.412   71.453    952.129   67.330    80.575  3.3108  84.044  2.9910  -3.469704      4.461747 
1 1 1 -18 -3  25 o 62.810  2.0272  533.257   33.936    519.055   50.178    545.230   46.071    62.014  3.0209  63.607  2.7042  -1.593307      4.054402 
1 1 1 -18 -3  26 o 50.825  1.9687  349.212   26.516    353.259   39.991    346.037   35.423    51.058  2.9365  50.592  2.6231  0.4662514      3.937479 
1 1 1 -18 -3  27 f 44.079  1.9634  260.309   22.901    291.129   35.012    237.264   30.275    46.328  2.8351  41.829  2.7169  4.499191       3.926746 
1 1 1 -18 -3  28 o 22.528  2.3558  68.656    13.496    78.496    21.930    62.657    17.123    23.770  3.5535  21.287  3.0938  2.483856       4.711576 
1 1 1 -18 -3  29 o 23.786  2.3114  74.144    13.775    110.200   22.276    51.819    17.529    28.359  2.9770  19.213  3.5365  9.146181       4.622745 
1 1 1 -18 -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -3  31 o 37.613  2.1548  197.359   20.900    175.911   32.532    212.434   27.273    35.714  3.4435  39.511  2.5914  -3.796928      4.309631 
1 1 1 -18 -3  32 o 68.848  2.1942  646.125   40.165    656.290   60.775    638.242   53.519    69.252  3.2765  68.444  2.9193  0.8080978      4.388374 
1 1 1 -18 -3  33 o 9.7509  2.7442  7.6167    10.537    3.6639    17.747    9.7689    13.095    9.7750  4.0766  9.7268  3.6747  0.4819107E-01  5.488361 
1 1 1 -18 -3  34 o 45.628  2.2068  288.159   26.208    284.202   41.427    290.799   33.842    45.215  3.4466  46.042  2.7569  -0.8268661     4.413563 
1 1 1 -18 -3  35 o 13.763  3.1428  26.492    12.823    25.755    21.855    26.878    15.835    13.853  4.8135  13.673  4.0420  0.1797485      6.285543 
1 1 1 -18 -3  36 o 19.320  3.0194  59.333    14.780    40.736    25.135    69.161    18.273    16.529  5.1358  22.111  3.1766  -5.581408      6.038845 
1 1 1 -18 -3  37 o 14.968  2.7111  37.490    13.231    -3.4904   23.601    56.270    15.977    10.058  4.4473  19.878  3.1020  -9.820712      5.422263 
1 1 1 -18 -3  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -3  39 o 26.018  3.0207  103.411   18.992    93.809    32.361    108.455   23.456    24.497  5.0978  27.539  3.2420  -3.042311      6.041405 
1 1 1 -18 -3  40 o 26.288  3.0018  102.132   19.301    108.582   33.473    98.920    23.623    26.450  4.9054  26.125  3.4611  0.3252296      6.003514 
1 1 1 -18 -3  41 o 25.150  3.2545  94.464    19.565    107.183   35.915    89.096    23.331    25.723  5.3855  24.577  3.6555  1.145647       6.508926 
1 1 1 -18 -3  42 o 24.181  3.2853  91.061    19.207    96.132    34.230    88.731    23.205    23.984  5.4520  24.379  3.6673  -0.3951530     6.570581 
1 1 1 -18 -3  43 o 12.364  3.2262  5.8951    14.284    52.249    28.110    -10.2393  16.584    17.256  5.4424  7.4706  3.4660  9.785847       6.452308 
1 1 1 -18 -2  1  o 183.566 3.6688  4538.31   180.369   4468.31   255.250   4608.13   254.911   182.143 5.2320  184.988 5.1446  -2.845093      7.337631 
1 1 1 -18 -2  2  f 63.925  1.8862  549.088   32.232    514.313   45.908    582.896   45.264    61.922  2.7679  65.928  2.5633  -4.006760      3.772497 
1 1 1 -18 -2  3  o 147.430 3.1082  2924.73   122.640   2814.98   174.526   3031.79   172.370   144.682 4.5036  150.179 4.2851  -5.497467      6.216493 
1 1 1 -18 -2  4  o 167.078 3.3966  3757.13   151.957   3678.13   215.956   3834.59   213.857   165.326 4.8768  168.830 4.7292  -3.503769      6.793257 
1 1 1 -18 -2  5  o 45.045  1.7624  272.703   21.137    297.057   30.361    249.796   29.445    47.007  2.4196  43.083  2.5632  3.923386       3.524805 
1 1 1 -18 -2  6  o 39.494  1.7063  209.873   17.962    212.992   25.645    206.870   25.166    39.783  2.4181  39.206  2.4081  0.5773582      3.412674 
1 1 1 -18 -2  7  o 115.660 2.5768  1796.32   79.827    1796.76   113.116   1795.89   112.670   115.674 3.6509  115.647 3.6373  0.2664948E-01  5.153586 
1 1 1 -18 -2  8  o 189.903 3.8363  4858.26   195.134   4868.18   276.120   4848.36   275.804   190.097 5.4229  189.708 5.4278  0.3883362      7.672625 
1 1 1 -18 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -2  10 o 192.185 5.5080  5010.81   283.322   5179.63   398.270   4837.84   403.130   195.519 7.6050  188.851 7.9696  6.668335       11.01593 
1 1 1 -18 -2  11 o 239.021 4.6261  7718.75   296.142   7854.09   419.156   7583.86   418.460   241.130 6.4899  236.912 6.5944  4.217499       9.252289 
1 1 1 -18 -2  12 o 195.921 3.9144  5173.63   205.413   5202.98   290.733   5144.37   290.263   196.479 5.5245  195.364 5.5470  1.114792       7.828723 
1 1 1 -18 -2  13 o 30.029  1.9320  126.190   14.732    102.704   22.843    142.917   19.277    27.483  3.1606  32.574  2.2227  -5.091398      3.863942 
1 1 1 -18 -2  14 o 150.654 3.0969  3051.40   124.932   3105.56   179.306   3000.29   174.166   151.949 4.4056  149.359 4.3536  2.590012       6.193783 
1 1 1 -18 -2  15 o 107.616 2.4919  1560.75   71.582    1465.12   103.420   1648.69   99.177    104.425 3.6975  110.807 3.3416  -6.381691      4.983762 
1 1 1 -18 -2  16 o 41.081  1.8167  226.922   19.774    230.535   29.708    224.048   26.496    41.364  2.6961  40.798  2.4357  0.5654716      3.633422 
1 1 1 -18 -2  17 o 24.050  2.0307  77.541    12.705    87.730    19.663    70.238    16.646    25.395  2.9456  22.706  2.7961  2.688362       4.061377 
1 1 1 -18 -2  18 o 96.579  2.3417  1254.67   60.478    1228.23   87.507    1278.85   83.678    95.593  3.4177  97.564  3.2021  -1.971306      4.683350 
1 1 1 -18 -2  19 o 33.866  1.9811  159.783   17.221    124.907   25.611    188.563   23.265    30.318  3.2023  37.415  2.3332  -7.097200      3.962150 
1 1 1 -18 -2  20 o 84.988  2.3452  990.296   52.252    780.080   75.466    1183.88   72.418    76.112  3.7018  93.865  2.8804  -17.75317      4.690425 
1 1 1 -18 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -2  22 o 48.616  1.9612  322.963   25.070    282.156   37.181    356.984   33.949    45.686  3.0560  51.546  2.4589  -5.860283      3.922455 
1 1 1 -18 -2  23 o 58.870  1.9700  464.479   30.973    490.726   45.975    442.668   41.911    60.381  2.8428  57.359  2.7279  3.021358       3.939903 
1 1 1 -18 -2  24 o 21.009  2.2738  60.733    12.269    62.090    18.777    59.723    16.207    21.178  3.4274  20.841  2.9889  0.3364849      4.547566 
1 1 1 -18 -2  25 o 69.266  2.0771  644.398   38.421    684.954   57.087    610.816   51.948    71.240  2.9918  67.292  2.8821  3.947144       4.154190 
1 1 1 -18 -2  26 o 14.124  2.6815  27.099    10.105    32.401    16.622    23.991    12.726    15.164  4.0254  13.085  3.5436  2.078321       5.362916 
1 1 1 -18 -2  27 o 28.965  2.0630  111.090   15.522    141.176   24.449    90.774    20.091    32.191  2.8655  25.738  2.9687  6.452951       4.126071 
1 1 1 -18 -2  28 f 39.427  1.9896  207.625   20.669    239.486   32.079    185.011   27.026    41.968  2.8710  36.887  2.7553  5.081398       3.979220 
1 1 1 -18 -2  29 o 43.730  2.0140  257.736   23.220    276.432   35.964    244.371   30.407    45.047  2.9978  42.414  2.6905  2.632866       4.028075 
1 1 1 -18 -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -2  31 o 69.197  2.1964  651.201   40.416    663.129   61.151    641.950   53.855    69.691  3.2759  68.702  2.9266  0.9892426      4.392804 
1 1 1 -18 -2  32 o 50.251  2.1229  341.055   28.081    374.168   44.057    318.399   36.443    52.224  3.1646  48.278  2.8306  3.945934       4.245765 
1 1 1 -18 -2  33 o 11.247  2.9329  13.944    11.260    16.968    18.917    12.285    14.013    12.086  4.4457  10.407  3.8266  1.678308       5.865746 
1 1 1 -18 -2  34 o 45.358  2.1555  276.829   25.584    322.649   41.094    247.830   32.692    48.292  3.1950  42.424  2.8943  5.867550       4.311049 
1 1 1 -18 -2  35 f 40.126  2.3132  219.885   24.000    245.210   39.432    204.985   30.247    41.789  3.5567  38.464  2.9586  3.324673       4.626384 
1 1 1 -18 -2  36 o 52.573  2.2552  379.579   31.099    421.650   49.475    352.100   39.985    54.811  3.3866  50.334  2.9791  4.476688       4.510427 
1 1 1 -18 -2  37 o 13.936  3.2573  27.511    13.459    28.271    24.275    27.175    16.172    14.260  5.0635  13.612  4.0989  0.6477737      6.514610 
1 1 1 -18 -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -2  39 o 7.3121  2.4190  -10.5793  10.678    -21.0564  20.960    -6.9070   12.409    7.8709  3.7280  6.7533  3.0834  1.117586       4.837941 
1 1 1 -18 -2  40 o 12.274  3.3684  16.778    14.746    22.896    27.085    14.200    17.581    13.489  5.2364  11.058  4.2385  2.430847       6.736818 
1 1 1 -18 -2  41 o 31.124  3.1020  153.351   22.769    128.902   39.113    165.884   28.004    28.225  5.3699  34.024  3.1072  -5.799004      6.204013 
1 1 1 -18 -2  42 o 17.566  3.4235  40.480    15.982    82.728    30.490    24.474    18.767    22.331  5.1953  12.800  4.4598  9.531492       6.846997 
1 1 1 -18 -1  1  o 160.031 3.2813  3449.06   140.448   3250.12   199.196   3645.74   198.055   155.414 4.7852  164.648 4.4910  -9.233749      6.562570 
1 1 1 -18 -1  2  f 97.793  2.3211  1285.06   60.727    1241.55   86.995    1326.41   84.810    96.171  3.3772  99.416  3.1849  -3.245125      4.642151 
1 1 1 -18 -1  3  o 169.340 3.4453  3860.26   156.222   3779.83   222.075   3939.06   219.804   167.581 4.9475  171.100 4.7962  -3.518829      6.890665 
1 1 1 -18 -1  4  o 80.539  2.1150  870.254   45.620    871.871   65.104    868.695   63.944    80.611  3.0152  80.467  2.9668  0.1446075      4.230098 
1 1 1 -18 -1  5  f 128.378 2.7549  2214.02   94.724    2240.18   134.050   2187.93   133.871   129.138 3.8755  127.619 3.9164  1.519257       5.509733 
1 1 1 -18 -1  6  o 39.327  1.6926  208.097   17.743    212.649   25.269    203.671   24.919    39.754  2.3842  38.901  2.4033  0.8530197      3.385300 
1 1 1 -18 -1  7  o 137.206 2.8135  2529.26   103.394   2512.60   146.295   2545.89   146.148   136.752 3.9940  137.659 3.9637  -0.9062500     5.626966 
1 1 1 -18 -1  8  o 146.700 3.1437  2893.68   123.525   2893.06   174.843   2894.29   174.538   146.684 4.4502  146.716 4.4414  -0.3215027E-01 6.287303 
1 1 1 -18 -1  9  o 117.359 2.5887  1849.48   81.366    1884.07   115.466   1815.35   114.677   118.451 3.6394  116.267 3.6824  2.183838       5.177372 
1 1 1 -18 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -1  11 o 40.274  1.8912  228.002   19.353    172.166   29.572    269.831   25.595    35.683  3.1256  44.866  2.1299  -9.182808      3.782304 
1 1 1 -18 -1  12 o 71.919  2.0065  692.127   37.456    937.492   55.588    488.093   50.690    83.613  2.4821  60.225  3.1533  23.38773       4.013010 
1 1 1 -18 -1  13 o 126.207 2.7558  2145.26   92.932    2028.01   133.583   2255.23   129.370   122.839 4.0600  129.574 3.7276  -6.735016      5.511662 
1 1 1 -18 -1  14 o 59.012  1.9106  470.500   29.936    437.169   43.973    499.291   40.869    57.008  2.8892  61.016  2.5007  -4.008087      3.821143 
1 1 1 -18 -1  15 o 88.711  2.2081  1053.60   52.270    1188.71   75.910    931.789   72.080    94.112  3.0114  83.310  3.2302  10.80206       4.416215 
1 1 1 -18 -1  16 o 94.106  2.3222  1192.55   58.367    1127.21   84.205    1252.97   80.978    91.606  3.4318  96.606  3.1295  -4.999260      4.644444 
1 1 1 -18 -1  17 o 117.784 2.6142  1862.96   82.343    2015.52   118.446   1720.27   114.553   122.456 3.6112  113.112 3.7810  9.343674       5.228473 
1 1 1 -18 -1  18 o 42.821  1.8742  248.293   21.238    234.524   31.410    259.891   28.827    41.700  2.8289  43.942  2.4591  -2.242516      3.748302 
1 1 1 -18 -1  19 o 135.060 2.9437  2464.13   106.214   2303.92   152.027   2616.90   148.456   130.724 4.3419  139.395 3.9761  -8.671265      5.887401 
1 1 1 -18 -1  20 o 66.074  2.0096  582.983   35.380    673.991   52.131    505.264   48.174    70.833  2.7477  61.316  2.9333  9.516773       4.019191 
1 1 1 -18 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -1  22 o 81.152  2.1951  887.304   47.587    876.532   69.646    896.736   65.173    80.674  3.2231  81.631  2.9807  -0.9576263     4.390134 
1 1 1 -18 -1  23 o 54.721  1.9736  404.492   28.688    395.064   42.718    412.238   38.719    54.082  2.9602  55.361  2.6112  -1.278343      3.947238 
1 1 1 -18 -1  24 o 83.114  2.2213  929.031   49.355    980.172   72.614    885.120   67.286    85.225  3.1810  81.002  3.1013  4.222427       4.442610 
1 1 1 -18 -1  25 o 81.728  2.2415  903.935   48.877    885.508   71.947    919.729   66.608    80.918  3.3196  82.537  3.0129  -1.619530      4.482974 
1 1 1 -18 -1  26 o 28.044  2.0982  107.745   15.242    105.753   23.725    109.146   19.890    27.765  3.2517  28.323  2.6527  -0.5577812     4.196487 
1 1 1 -18 -1  27 o 87.186  2.3393  1031.71   54.433    1025.58   80.317    1036.92   74.027    86.897  3.4507  87.475  3.1595  -0.5779800     4.678692 
1 1 1 -18 -1  28 o 37.789  2.0248  190.782   20.098    217.946   31.545    172.221   26.076    40.001  2.9653  35.577  2.7580  4.424416       4.049617 
1 1 1 -18 -1  29 o 40.488  2.0364  219.150   21.692    251.444   33.935    196.839   28.207    42.954  2.9678  38.022  2.7892  4.932293       4.072747 
1 1 1 -18 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 -1  31 o 41.112  2.1882  236.346   23.221    207.848   36.006    256.640   30.384    38.805  3.5019  43.420  2.6250  -4.615089      4.376493 
1 1 1 -18 -1  32 o 26.843  2.3656  94.599    16.139    129.886   26.773    74.458    20.227    30.613  3.3182  23.072  3.3726  7.540749       4.731280 
1 1 1 -18 -1  33 o 88.833  2.4144  1076.93   57.154    1213.58   86.097    969.266   76.421    93.811  3.4265  83.855  3.4025  9.955986       4.828826 
1 1 1 -18 -1  34 f 24.823  2.6492  82.788    16.461    106.594   28.235    70.531    20.261    27.338  3.9721  22.307  3.5066  5.031065       5.298491 
1 1 1 -18 -1  35 o 61.591  2.3101  528.836   37.348    520.212   58.125    534.900   48.742    60.897  3.5792  62.285  2.9217  -1.387451      4.620263 
1 1 1 -18 -1  36 o 21.975  2.9584  66.923    16.107    86.783    27.985    57.084    19.697    24.184  4.4854  19.767  3.8588  4.417023       5.916852 
1 1 1 -18 -1  37 o 19.013  3.0367  45.080    14.932    91.124    27.109    25.029    17.890    24.808  4.2315  13.218  4.3566  11.59066       6.073396 
1 1 1 -18 -1  38 o 14.458  3.1392  31.142    15.206    5.9831    23.913    48.222    19.703    11.045  4.6766  17.871  4.1891  -6.825942      6.278428 
1 1 1 -18 -1  39 o 7.9747  2.5308  -5.5047   11.338    -26.1230  21.248    2.7041    13.407    7.5905  3.6389  8.3590  3.5184  -0.7684774     5.061651 
1 1 1 -18 -1  40 o 20.776  3.3278  64.909    17.116    75.064    30.528    60.252    20.671    21.551  5.3207  20.001  3.9983  1.549932       6.655508 
1 1 1 -18 -1  41 o 23.565  3.4360  94.838    19.600    70.082    34.766    106.372   23.731    20.117  5.9991  27.013  3.3518  -6.896549      6.871967 
1 1 1 -18 -1  42 o 10.239  3.1303  2.8665    14.050    14.269    27.176    -1.2933   16.414    12.061  5.0385  8.4168  3.7159  3.644156       6.260588 
1 1 1 -18 0   1  o 129.050 2.7904  2239.54   96.365    2152.83   137.201   2323.95   135.378   126.572 4.0470  131.528 3.8427  -4.956062      5.580745 
1 1 1 -18 0   2  o 127.250 2.7896  2176.13   95.053    2140.01   135.302   2211.33   133.564   126.201 4.0027  128.299 3.8867  -2.097580      5.579217 
1 1 1 -18 0   3  o 126.837 2.7685  2161.30   94.048    2159.00   133.849   2163.54   132.173   126.768 3.9420  126.906 3.8884  -0.1389236     5.537083 
1 1 1 -18 0   4  o 104.482 2.4407  1465.48   68.302    1474.71   96.935    1456.39   96.256    104.809 3.4530  104.156 3.4503  0.6528168      4.881346 
1 1 1 -18 0   5  o 63.388  1.8660  539.218   31.653    564.511   44.721    513.827   44.807    64.881  2.5734  61.895  2.7027  2.985409       3.731905 
1 1 1 -18 0   6  o 165.343 3.3233  3677.39   147.156   3690.64   210.206   3664.67   206.075   165.629 4.7383  165.057 4.6612  0.5717316      6.646683 
1 1 1 -18 0   7  o 136.186 2.8182  2489.57   102.746   2599.81   147.680   2386.15   143.041   139.107 3.9635  133.264 4.0074  5.843231       5.636362 
1 1 1 -18 0   8  o 102.164 2.2931  1396.60   62.366    1624.51   90.870    1193.64   85.750    110.030 3.0833  94.297  3.3951  15.73283       4.586217 
1 1 1 -18 0   9  o 80.029  2.1329  875.076   44.879    719.168   65.647    1011.88   61.493    73.196  3.3484  86.861  2.6431  -13.66473      4.265880 
1 1 1 -18 0   10 o 75.441  2.4141  743.807   45.165    821.662   82.475    710.459   53.978    78.104  3.9553  72.778  2.7690  5.325714       4.828249 
1 1 1 -18 0   11 o 211.968 8.4069  6105.21   477.304   6105.21   477.304   0.0000    0.0000    211.968 8.4069  ?       ?       ?              ?        
1 1 1 -18 0   12 o 124.314 2.6902  2074.07   89.531    2165.58   128.693   1988.23   124.637   126.971 3.7841  121.657 3.8249  5.314156       5.380438 
1 1 1 -18 0   13 o 38.358  1.8068  195.831   18.204    245.605   27.284    155.899   24.438    42.731  2.3935  33.984  2.7072  8.746464       3.613519 
1 1 1 -18 0   14 o 104.165 2.4149  1455.41   67.338    1521.46   96.948    1393.84   93.601    106.448 3.4003  101.883 3.4300  4.564819       4.829757 
1 1 1 -18 0   15 o 127.858 2.7528  2195.90   94.238    2278.63   135.023   2117.33   131.588   130.207 3.8715  125.509 3.9143  4.698212       5.505504 
1 1 1 -18 0   16 o 224.320 4.3666  6804.13   262.334   6948.98   372.978   6662.32   369.047   226.694 6.1426  221.947 6.2079  4.747711       8.733258 
1 1 1 -18 0   17 o 77.042  2.0925  796.431   43.125    805.076   62.744    788.690   59.372    77.434  3.0252  76.650  2.8919  0.7835922      4.185066 
1 1 1 -18 0   18 o 105.192 2.4795  1489.41   69.758    1450.18   100.623   1525.71   96.794    103.844 3.6177  106.540 3.3919  -2.696518      4.959074 
1 1 1 -18 0   19 o 36.605  1.8955  178.095   18.257    218.254   27.641    147.020   24.315    40.239  2.5782  32.970  2.7793  7.268417       3.790973 
1 1 1 -18 0   20 o 128.396 2.8103  2219.68   96.583    2329.41   139.165   2117.71   134.152   131.458 3.9523  125.333 3.9961  6.124908       5.620505 
1 1 1 -18 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 0   22 o 22.020  2.2740  64.440    12.632    91.154    19.773    46.018    16.419    25.868  2.9040  18.173  3.5002  7.694792       4.548036 
1 1 1 -18 0   23 o 127.015 2.8642  2186.28   97.298    2137.01   140.499   2231.69   134.874   125.595 4.1765  128.435 3.9206  -2.839279      5.728375 
1 1 1 -18 0   24 o 85.635  2.2950  993.094   52.411    955.392   76.935    1025.74   71.594    84.076  3.4163  87.194  3.0655  -3.117958      4.590042 
1 1 1 -18 0   25 o 39.016  1.9908  208.452   20.325    193.413   30.976    219.822   26.935    37.712  3.0938  40.320  2.5064  -2.608109      3.981688 
1 1 1 -18 0   26 o 31.670  2.0505  136.643   16.913    136.629   26.382    136.654   22.037    31.619  3.1574  31.721  2.6171  -0.1021214     4.101040 
1 1 1 -18 0   27 o 22.670  2.2827  68.433    13.191    84.822    21.481    58.513    16.713    24.788  3.3186  20.552  3.1353  4.236090       4.565411 
1 1 1 -18 0   28 o 68.803  2.1307  635.366   39.059    710.349   59.010    576.898   52.108    72.371  3.0442  65.236  2.9821  7.134911       4.261485 
1 1 1 -18 0   29 o 78.989  2.3011  848.654   48.422    852.805   72.384    845.292   65.144    79.100  3.4165  78.878  3.0834  0.2214584      4.602169 
1 1 1 -18 0   30 o 40.965  3.3088  230.355   35.996    230.355   35.996    0.0000    0.0000    40.965  3.3088  ?       ?       ?              ?        
1 1 1 -18 0   31 f 57.270  2.2189  453.231   33.294    420.488   51.169    477.271   43.844    55.283  3.4732  59.256  2.7624  -3.972961      4.437816 
1 1 1 -18 0   32 o 54.162  2.2272  404.778   31.569    392.860   49.168    413.136   41.177    53.338  3.4602  54.985  2.8052  -1.646362      4.454498 
1 1 1 -18 0   33 o 40.119  2.1866  217.783   22.882    245.012   36.793    200.611   29.219    42.054  3.2927  38.185  2.8780  3.869450       4.373200 
1 1 1 -18 0   34 o 22.421  2.9843  76.650    16.261    61.170    27.490    84.982    20.168    20.201  5.0844  24.641  3.1261  -4.440580      5.968559 
1 1 1 -18 0   35 o 39.189  2.2768  206.212   23.062    252.858   38.347    179.782   28.865    42.449  3.4013  35.930  3.0275  6.518570       4.553541 
1 1 1 -18 0   36 o 27.992  2.7072  102.315   18.289    180.291   31.077    60.997    22.622    35.751  3.2819  20.234  4.3063  15.51723       5.414344 
1 1 1 -18 0   37 f 20.354  3.8096  60.898    20.005    0.0000    0.0000    60.898    20.005    ?       ?       20.354  3.8096  ?              ?        
1 1 1 -18 0   38 o 10.522  3.0252  7.9769    12.417    14.924    22.668    4.9991    14.841    11.962  4.7461  9.0819  3.7527  2.879975       6.050441 
1 1 1 -18 0   39 o 20.721  3.3861  69.628    17.496    58.098    31.594    74.728    21.012    18.843  5.7415  22.600  3.5913  -3.756969      6.772186 
1 1 1 -18 0   40 o 24.580  3.2701  92.761    19.181    95.088    34.813    91.746    22.984    24.120  5.5093  25.040  3.5245  -0.9194756     6.540204 
1 1 1 -18 0   41 o 16.429  3.5025  44.844    16.408    36.349    30.043    48.454    19.587    15.222  5.6021  17.635  4.2056  -2.413343      7.005062 
1 1 1 -18 0   42 o 12.659  3.4138  12.186    15.196    47.920    29.826    -0.3427   17.661    16.542  5.6280  8.7762  3.8655  7.766147       6.827640 
1 1 1 -18 1   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 1   2  o 200.334 4.7635  5376.07   240.310   5569.87   421.757   5282.91   292.420   202.676 7.7691  197.992 5.5141  4.684265       9.526992 
1 1 1 -18 1   3  o 116.123 2.6053  1817.61   80.729    1698.62   116.687   1926.84   111.804   112.448 3.8742  119.799 3.4843  -7.351105      5.210558 
1 1 1 -18 1   4  o 71.306  1.9693  684.545   37.449    647.938   54.643    716.968   51.426    69.495  2.9355  73.116  2.6259  -3.621063      3.938623 
1 1 1 -18 1   5  o 178.854 3.5443  4304.86   169.749   4443.26   242.061   4170.94   238.110   181.689 4.9740  176.020 5.0504  5.669617       7.088553 
1 1 1 -18 1   6  o 90.872  2.1529  1110.25   52.274    1067.84   75.714    1148.87   72.260    89.203  3.1689  92.540  2.9153  -3.336838      4.305898 
1 1 1 -18 1   7  o 180.760 3.5465  4397.90   171.365   4778.91   245.103   4033.56   239.681   188.447 4.8559  173.074 5.1703  15.37386       7.093059 
1 1 1 -18 1   8  o 93.868  2.2772  1193.51   56.722    1050.17   82.384    1322.70   78.212    88.443  3.4777  99.293  2.9408  -10.84986      4.554423 
1 1 1 -18 1   9  o 176.371 3.4947  4185.07   164.941   4439.77   235.892   3941.42   230.717   181.636 4.8487  171.106 5.0341  10.52933       6.989416 
1 1 1 -18 1   10 o 160.912 3.2636  3481.87   140.641   3552.87   200.990   3413.76   196.867   162.519 4.6172  159.306 4.6137  3.212906       6.527277 
1 1 1 -18 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 1   12 o 135.736 2.8906  2477.10   105.046   2440.23   150.085   2512.51   147.076   134.738 4.1587  136.736 4.0158  -1.998032      5.781154 
1 1 1 -18 1   13 o 132.049 2.8185  2342.15   99.641    2443.69   142.536   2245.10   139.346   134.851 3.9462  129.247 4.0252  5.604446       5.636915 
1 1 1 -18 1   14 o 112.778 2.5480  1708.44   76.936    1707.50   110.372   1709.32   107.300   112.743 3.6550  112.812 3.5510  -0.6990814E-01 5.095936 
1 1 1 -18 1   15 o 88.280  2.2364  1047.43   52.798    1022.03   76.290    1070.77   73.146    87.245  3.2647  89.315  3.0575  -2.070358      4.472864 
1 1 1 -18 1   16 o 109.879 2.5259  1621.44   74.306    1651.02   106.995   1593.88   103.274   110.843 3.6039  108.914 3.5401  1.928673       5.051746 
1 1 1 -18 1   17 o 127.108 2.8287  2181.53   95.950    2008.47   137.563   2345.51   133.900   122.150 4.2045  132.066 3.7853  -9.915344      5.657435 
1 1 1 -18 1   18 o 32.288  1.9021  139.750   16.230    154.768   24.337    127.721   21.781    33.846  2.7071  30.730  2.6728  3.116169       3.804243 
1 1 1 -18 1   19 o 58.963  1.9657  465.317   30.966    489.503   45.800    444.951   42.029    60.366  2.8326  57.560  2.7261  2.806236       3.931313 
1 1 1 -18 1   20 o 46.024  1.9799  287.904   24.015    268.421   36.021    303.493   32.221    44.578  3.0349  47.470  2.5434  -2.891994      3.959701 
1 1 1 -18 1   21 o 85.604  2.7568  1013.11   60.367    1079.99   76.706    904.281   97.844    89.571  3.1972  81.638  4.4919  7.932610       5.513553 
1 1 1 -18 1   22 o 52.020  1.9778  365.804   27.281    354.790   40.817    374.697   36.676    51.250  2.9864  52.790  2.5939  -1.540180      3.955586 
1 1 1 -18 1   23 o 123.624 2.7872  2068.44   92.206    2081.80   133.503   2056.24   127.502   123.979 4.0203  123.269 3.8617  0.7100601      5.574493 
1 1 1 -18 1   24 o 25.286  2.3860  94.077    14.565    62.934    22.356    117.043   19.198    21.185  4.0880  29.387  2.4617  -8.202244      4.771989 
1 1 1 -18 1   25 o 52.771  1.9859  371.884   27.780    425.791   42.281    330.939   36.849    56.098  2.8229  49.445  2.7939  6.653606       3.971724 
1 1 1 -18 1   26 o 76.430  2.1820  784.857   44.500    865.795   66.477    719.141   59.901    79.969  3.1036  72.891  3.0681  7.077934       4.364079 
1 1 1 -18 1   27 o 43.091  2.1044  257.257   23.541    227.353   36.167    279.240   31.009    40.781  3.3404  45.402  2.5604  -4.620674      4.208748 
1 1 1 -18 1   28 o 28.247  2.1774  106.340   15.951    129.162   25.418    91.515    20.487    30.689  3.1363  25.805  3.0212  4.883797       4.354800 
1 1 1 -18 1   29 o 31.901  2.7956  138.988   23.646    0.0000    0.0000    138.988   23.646    ?       ?       31.901  2.7956  ?              ?        
1 1 1 -18 1   30 o 80.481  2.3961  892.072   51.079    830.886   76.523    941.241   68.598    77.832  3.6706  83.130  3.0808  -5.297821      4.792190 
1 1 1 -18 1   31 o 45.359  2.2501  290.046   26.167    248.497   40.987    318.632   33.997    42.355  3.6484  48.364  2.6344  -6.008747      4.500124 
1 1 1 -18 1   32 o 54.215  2.2730  410.835   31.986    371.040   49.888    438.613   41.681    51.712  3.6247  56.718  2.7436  -5.006573      4.545977 
1 1 1 -18 1   33 o 10.840  2.8945  10.686    10.965    19.691    19.291    6.3881    13.328    12.570  4.5085  9.1092  3.6313  3.460766       5.789073 
1 1 1 -18 1   34 o 26.280  2.7225  100.497   17.518    92.487    29.373    104.918   21.824    25.130  4.5305  27.430  3.0204  -2.300182      5.444993 
1 1 1 -18 1   35 o 23.922  2.7919  74.644    16.369    134.289   27.884    43.280    20.220    30.807  3.4378  17.037  4.4002  13.77047       5.583880 
1 1 1 -18 1   36 o 23.122  2.9816  81.448    16.833    71.017    28.297    87.160    20.941    21.486  5.0093  24.759  3.2351  -3.272800      5.963160 
1 1 1 -18 1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 1   38 o 47.402  2.4517  318.814   29.890    333.972   49.248    309.974   37.610    47.913  3.8706  46.890  3.0104  1.022652       4.903466 
1 1 1 -18 1   39 o 19.312  3.3185  51.233    16.234    83.252    29.524    37.357    19.435    23.043  4.9323  15.581  4.4411  7.462249       6.637087 
1 1 1 -18 1   40 o 24.383  3.4993  109.753   20.771    56.753    37.055    134.036   25.082    18.204  6.2710  30.563  3.1071  -12.35834      6.998564 
1 1 1 -18 1   41 o 12.167  3.3537  19.192    15.121    11.300    28.949    22.153    17.732    12.026  5.1207  12.308  4.3323  -0.2822914     6.707453 
1 1 1 -18 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 2   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 2   4  o 105.331 2.4042  1490.57   67.757    1458.72   97.469    1520.35   94.257    104.235 3.4911  106.428 3.3065  -2.193047      4.808424 
1 1 1 -18 2   5  o 177.146 3.4842  4223.22   165.125   4501.60   235.601   3954.45   231.498   182.904 4.8091  171.388 5.0429  11.51607       6.968369 
1 1 1 -18 2   6  o 114.506 2.4961  1758.60   76.514    1823.49   110.376   1698.56   106.162   116.537 3.5361  112.475 3.5239  4.061714       4.992177 
1 1 1 -18 2   7  o 196.797 3.8444  5217.03   202.612   5349.54   289.073   5089.07   284.066   199.258 5.4163  194.337 5.4573  4.920227       7.688833 
1 1 1 -18 2   8  o 169.760 3.4260  3880.49   155.686   3786.15   222.170   3971.51   218.230   167.714 4.9457  171.805 4.7423  -4.091248      6.851948 
1 1 1 -18 2   9  o 183.248 3.6500  4523.05   179.113   4466.82   254.976   4577.83   251.665   182.111 5.2273  184.386 5.0957  -2.275009      7.300054 
1 1 1 -18 2   10 o 252.044 4.8433  8591.04   326.961   8688.03   463.952   8495.34   460.849   253.463 6.8339  250.626 6.8651  2.837601       9.686663 
1 1 1 -18 2   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 2   12 o 137.766 2.9554  2554.78   108.907   2433.66   155.340   2671.86   152.728   134.533 4.3109  140.998 4.0441  -6.464081      5.910839 
1 1 1 -18 2   13 f 154.508 3.1863  3210.75   131.846   3276.37   188.215   3147.53   184.751   156.058 4.5028  152.958 4.5095  3.100372       6.372626 
1 1 1 -18 2   14 o 115.395 2.6058  1789.99   80.480    1759.98   115.522   1818.29   112.183   114.447 3.7685  116.344 3.5999  -1.897095      5.211649 
1 1 1 -18 2   15 o 88.317  2.2128  1044.59   52.094    1194.99   75.664    909.044   71.830    94.355  2.9939  82.279  3.2593  12.07669       4.425681 
1 1 1 -18 2   16 o 41.018  1.8557  224.574   20.144    264.007   29.997    192.191   27.185    44.288  2.5394  37.748  2.7066  6.540001       3.711363 
1 1 1 -18 2   17 o 178.658 3.6056  4306.75   172.498   4441.92   246.404   4176.83   241.565   181.414 5.0709  175.902 5.1271  5.511749       7.211216 
1 1 1 -18 2   18 o 99.224  2.4731  1333.12   65.275    1194.31   94.352    1460.54   90.400    94.206  3.7392  104.241 3.2377  -10.03480      4.946190 
1 1 1 -18 2   19 o 123.829 2.8304  2075.52   93.467    1905.54   134.518   2234.18   129.964   118.862 4.2252  128.797 3.7673  -9.935432      5.660830 
1 1 1 -18 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 2   21 o 58.028  2.0564  459.085   31.470    408.137   46.652    501.629   42.631    54.965  3.1824  61.090  2.6053  -6.125618      4.112859 
1 1 1 -18 2   22 o 86.998  2.3613  1028.44   54.593    932.848   79.803    1112.52   74.848    83.123  3.5843  90.873  3.0751  -7.749252      4.722668 
1 1 1 -18 2   23 o 51.492  1.9916  357.822   27.181    361.958   40.962    354.569   36.332    51.733  2.9686  51.251  2.6558  0.4822426      3.983151 
1 1 1 -18 2   24 o 75.170  2.2267  768.581   44.450    714.874   65.871    813.484   60.231    72.692  3.3831  77.648  2.8960  -4.956306      4.453358 
1 1 1 -18 2   25 o 54.163  2.0250  396.085   29.076    407.592   43.996    387.162   38.743    54.830  3.0072  53.495  2.7128  1.334515       4.049973 
1 1 1 -18 2   26 o 84.102  2.2907  953.646   51.434    1028.90   76.614    891.904   69.399    87.091  3.2843  81.114  3.1942  5.976875       4.581467 
1 1 1 -18 2   27 o 12.691  2.5942  23.125    10.262    6.2721    16.719    33.313    12.998    10.001  4.0390  15.380  3.2567  -5.378764      5.188452 
1 1 1 -18 2   28 o 74.880  2.3573  775.254   46.395    683.632   69.479    848.984   62.327    70.647  3.6845  79.113  2.9413  -8.465668      4.714562 
1 1 1 -18 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 2   30 o 37.997  2.2219  199.777   21.747    191.343   34.750    205.206   27.881    37.207  3.5292  38.787  2.7005  -1.579884      4.443877 
1 1 1 -18 2   31 o 12.826  2.9667  20.394    11.245    29.291    19.606    16.033    13.726    14.480  4.5420  11.172  3.8179  3.308516       5.933478 
1 1 1 -18 2   32 o 26.585  2.4890  97.447    16.664    105.651   27.902    92.898    20.777    27.308  3.9276  25.863  3.0585  1.445190       4.978052 
1 1 1 -18 2   33 o 51.185  2.2743  362.533   30.348    365.409   48.172    360.640   39.078    51.176  3.5360  51.194  2.8613  -0.1834869E-01 4.548678 
1 1 1 -18 2   34 o 22.550  3.0996  84.725    16.886    46.859    28.690    104.793   20.886    17.663  5.4869  27.437  2.8853  -9.773888      6.199283 
1 1 1 -18 2   35 o 33.144  2.4756  151.576   20.963    173.701   35.082    139.290   26.143    34.809  3.8259  31.479  3.1426  3.330074       4.951149 
1 1 1 -18 2   36 o 28.252  2.6979  112.588   18.984    126.776   32.712    105.382   23.312    29.292  4.2971  27.213  3.2634  2.079180       5.395822 
1 1 1 -18 2   37 o 14.495  5.2476  29.718    26.206    29.718    26.206    0.0000    0.0000    14.495  5.2476  ?       ?       ?              ?        
1 1 1 -18 2   38 o 26.916  3.0804  107.992   19.685    111.250   35.731    106.572   23.587    26.596  5.2022  27.237  3.3006  -0.6407967     6.160897 
1 1 1 -18 2   39 o 9.8276  2.9455  -9.6112   13.099    24.190    24.780    -22.7190  15.431    13.410  5.0577  6.2455  3.0206  7.164266       5.891005 
1 1 1 -18 2   40 o 25.508  3.4733  111.256   20.907    82.831    37.176    124.406   25.285    21.748  6.1224  29.268  3.2819  -7.519617      6.946557 
1 1 1 -18 2   41 o 16.316  3.3093  48.558    17.045    13.661    32.161    62.189    20.099    12.527  5.3672  20.106  3.8727  -7.579411      6.618503 
1 1 1 -18 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 3   4  o 109.730 3.3216  1743.80   87.420    1321.57   151.823   1953.22   106.924   98.831  5.7602  120.629 3.3093  -21.79716      6.643181 
1 1 1 -18 3   5  o 176.901 3.4792  4211.81   164.579   4543.57   235.155   3893.30   230.416   183.754 4.7778  170.048 5.0588  13.70564       6.958396 
1 1 1 -18 3   6  o 82.286  2.0996  914.346   45.971    833.979   66.928    986.129   63.253    78.830  3.1698  85.742  2.7542  -6.911797      4.199192 
1 1 1 -18 3   7  o 23.695  1.9372  77.683    10.839    124.176   16.225    40.213    14.566    30.371  2.0058  17.018  3.3147  13.35303       3.874338 
1 1 1 -18 3   8  o 138.970 2.9557  2603.52   109.653   2382.73   156.163   2818.25   154.005   133.116 4.3798  144.824 3.9702  -11.70731      5.911429 
1 1 1 -18 3   9  o 130.275 2.7872  2280.47   97.094    2459.01   138.615   2108.50   136.044   135.294 3.8251  125.257 4.0550  10.03703       5.574430 
1 1 1 -18 3   10 f 227.162 4.4289  6973.60   269.245   6673.35   381.974   7270.10   379.578   222.252 6.4165  232.072 6.1065  -9.819611      8.857783 
1 1 1 -18 3   11 o 99.741  3.3132  1336.19   88.427    1395.68   128.573   1282.79   121.811   101.841 4.7134  97.641  4.6576  4.199928       6.626442 
1 1 1 -18 3   12 f 141.250 2.9819  2681.53   112.797   2743.70   161.292   2622.01   157.801   142.853 4.2154  139.648 4.2188  3.204330       5.963850 
1 1 1 -18 3   13 o 103.126 2.4150  1426.08   66.621    1533.18   96.037    1326.73   92.496    106.858 3.3554  99.394  3.4743  7.463379       4.830069 
1 1 1 -18 3   14 o 129.698 2.8096  2259.39   97.501    2409.93   140.003   2117.61   135.863   133.898 3.9037  125.498 4.0418  8.399933       5.619179 
1 1 1 -18 3   15 o 164.677 3.3263  3653.82   146.211   4062.44   209.346   3264.68   204.294   173.709 4.4994  155.646 4.9004  18.06328       6.652678 
1 1 1 -18 3   16 o 204.359 4.0716  5647.86   222.791   5548.39   317.359   5744.52   312.837   202.554 5.8495  206.165 5.6652  -3.610901      8.143191 
1 1 1 -18 3   17 o 95.116  2.3348  1212.79   59.402    1300.57   86.375    1134.01   81.824    98.376  3.2780  91.856  3.3257  6.519547       4.669649 
1 1 1 -18 3   18 o 120.059 2.7334  1943.66   87.758    1884.58   126.545   1998.39   121.808   118.277 3.9944  121.841 3.7324  -3.564491      5.466873 
1 1 1 -18 3   19 o 98.341  2.4508  1303.48   64.406    1274.13   93.719    1329.75   88.660    97.272  3.5971  99.411  3.3297  -2.139122      4.901618 
1 1 1 -18 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 3   21 o 53.865  2.0355  395.342   28.907    357.865   43.167    425.811   38.922    51.451  3.1475  56.279  2.5820  -4.827728      4.071066 
1 1 1 -18 3   22 o 76.013  2.1950  779.069   44.514    777.083   65.899    780.736   60.368    75.901  3.2415  76.124  2.9607  -0.2232056     4.390081 
1 1 1 -18 3   23 o 21.761  2.2728  64.186    12.673    71.819    20.009    59.073    16.377    22.812  3.3767  20.709  3.0432  2.103586       4.545688 
1 1 1 -18 3   24 o 57.193  2.0663  444.203   31.268    427.736   47.142    457.139   41.781    56.162  3.1465  58.224  2.6791  -2.061871      4.132531 
1 1 1 -18 3   25 o 34.866  2.0884  168.342   18.849    149.928   28.960    181.878   24.828    33.098  3.3111  36.633  2.5462  -3.535069      4.176888 
1 1 1 -18 3   26 o 10.406  2.3400  11.478    9.2075    -10.0828  14.499    26.048    11.919    7.2258  3.3118  13.585  3.3068  -6.359650      4.680051 
1 1 1 -18 3   27 o 73.813  2.3222  751.075   45.136    670.185   67.497    816.504   60.705    70.011  3.6117  77.616  2.9200  -7.605377      4.644467 
1 1 1 -18 3   28 o 37.618  2.2052  197.561   21.307    175.455   33.423    212.697   27.655    35.680  3.5441  39.555  2.6252  -3.874168      4.410452 
1 1 1 -18 3   29 o 51.113  3.3366  358.198   45.429    358.198   45.429    0.0000    0.0000    51.113  3.3366  ?       ?       ?              ?        
1 1 1 -18 3   30 o 56.129  2.1535  424.455   31.895    474.740   49.815    389.521   41.521    58.861  3.1714  53.397  2.9141  5.463562       4.306945 
1 1 1 -18 3   31 o 28.463  2.5858  118.568   17.967    96.028    29.208    132.291   22.790    25.893  4.3667  31.033  2.7709  -5.139574      5.171610 
1 1 1 -18 3   32 o 43.354  2.1956  250.752   24.858    310.040   40.091    213.725   31.683    47.362  3.1788  39.346  3.0297  8.016045       4.391291 
1 1 1 -18 3   33 o 48.877  2.3205  334.441   29.390    322.552   46.713    342.230   37.812    47.924  3.6669  49.829  2.8449  -1.904579      4.641094 
1 1 1 -18 3   34 o 8.8238  2.6302  1.4138    11.028    -14.0300  19.173    9.0483    13.481    8.0719  3.7385  9.5758  3.7007  -1.503879      5.260349 
1 1 1 -18 3   35 f 29.902  3.0349  141.768   20.978    101.359   35.500    163.448   26.003    25.588  5.3518  34.215  2.8637  -8.627596      6.069819 
1 1 1 -18 3   36 o 14.162  5.6716  22.368    32.666    0.0000    0.0000    22.368    32.666    ?       ?       14.162  5.6716  ?              ?        
1 1 1 -18 3   37 o 18.872  3.4569  54.539    16.697    58.352    30.076    52.841    20.075    19.021  5.5558  18.724  4.1151  0.2970791      6.913809 
1 1 1 -18 3   38 o 29.197  2.9277  124.397   20.845    134.565   36.789    119.590   25.298    29.569  4.8104  28.824  3.3385  0.7451591      5.855423 
1 1 1 -18 3   39 o 11.210  2.9401  10.971    14.873    -38.5553  28.029    30.380    17.547    8.3249  4.0373  14.095  4.2752  -5.770022      5.880249 
1 1 1 -18 3   40 o 30.542  2.9421  136.983   22.173    160.327   39.098    125.915   26.920    31.883  4.7210  29.201  3.5123  2.681328       5.884229 
1 1 1 -18 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 4   4  o 76.955  2.2181  757.214   43.603    919.098   76.564    679.509   53.046    82.737  3.4549  71.172  2.7826  11.56499       4.436120 
1 1 1 -18 4   5  o 74.061  1.9465  733.184   38.257    880.274   55.968    604.179   52.414    81.016  2.5792  67.106  2.9161  13.91040       3.893023 
1 1 1 -18 4   6  o 77.862  2.0649  818.376   42.795    733.051   61.622    897.864   59.477    73.908  3.1128  81.815  2.7141  -7.907745      4.129901 
1 1 1 -18 4   7  o 116.152 2.6000  1816.57   80.668    1681.58   115.004   1947.32   113.180   111.878 3.8378  120.425 3.5088  -8.546967      5.200038 
1 1 1 -18 4   8  o 45.699  1.8547  284.224   21.474    403.393   31.472    180.405   29.375    54.856  2.1420  36.542  3.0285  18.31391       3.709466 
1 1 1 -18 4   9  o 87.996  2.1904  1037.90   51.419    1171.48   74.244    914.760   71.281    93.439  2.9665  82.554  3.2236  10.88470       4.380885 
1 1 1 -18 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 4   11 o 220.897 4.3153  6588.70   255.309   6589.72   362.917   6587.71   359.236   220.904 6.1336  220.889 6.0718  0.1542664E-01  8.630604 
1 1 1 -18 4   12 o 127.553 2.8507  2197.15   96.904    1977.07   138.632   2407.42   135.507   121.250 4.2687  133.857 3.7795  -12.60689      5.701410 
1 1 1 -18 4   13 o 122.986 2.7337  2033.41   89.999    2016.97   129.213   2048.91   125.427   122.495 3.9382  123.478 3.7924  -0.9825592     5.467331 
1 1 1 -18 4   14 o 184.053 3.7044  4568.90   182.582   4538.42   260.419   4598.37   256.055   183.434 5.3003  184.672 5.1766  -1.237717      7.408822 
1 1 1 -18 4   15 o 82.342  2.1657  907.214   47.667    991.125   69.596    833.069   65.421    85.919  3.0242  78.766  3.1009  7.153229       4.331417 
1 1 1 -18 4   16 o 54.142  1.9156  390.778   27.590    447.564   41.018    343.857   37.285    57.747  2.6519  50.537  2.7650  7.210358       3.831141 
1 1 1 -18 4   17 o 164.441 3.4336  3654.58   151.085   3542.66   216.221   3761.37   211.200   161.943 4.9848  166.940 4.7233  -4.997314      6.867153 
1 1 1 -18 4   18 o 70.198  2.0744  658.818   38.903    717.954   57.453    608.749   52.866    73.092  2.9346  67.304  2.9325  5.787903       4.148729 
1 1 1 -18 4   19 o 125.609 2.8401  2131.59   95.385    2070.40   137.822   2187.85   132.145   123.844 4.1549  127.374 3.8733  -3.530197      5.680270 
1 1 1 -18 4   20 o 39.426  2.2715  208.231   23.599    191.727   31.120    230.563   36.200    37.611  3.1173  41.241  3.3049  -3.629654      4.543080 
1 1 1 -18 4   21 o 84.620  2.2620  961.577   51.155    1019.55   75.484    912.336   69.567    86.963  3.2406  82.277  3.1567  4.685501       4.523976 
1 1 1 -18 4   22 o 79.817  2.2469  860.588   47.832    849.411   70.724    870.010   64.936    79.310  3.3293  80.325  3.0182  -1.015068      4.493741 
1 1 1 -18 4   23 o 10.937  2.5393  15.643    8.7663    9.9168    13.816    19.502    11.342    10.008  3.7760  11.866  3.3962  -1.858461      5.078629 
1 1 1 -18 4   24 o 56.308  2.1010  433.584   31.175    397.221   46.853    462.472   41.761    54.069  3.2503  58.548  2.6630  -4.478626      4.201938 
1 1 1 -18 4   25 o 48.592  2.0462  319.543   26.248    327.189   40.233    313.877   34.633    49.056  3.0776  48.128  2.6975  0.9279251      4.092406 
1 1 1 -18 4   26 o 29.135  2.2242  116.975   16.564    114.319   26.630    118.651   21.153    28.771  3.5296  29.499  2.7074  -0.7275906     4.448381 
1 1 1 -18 4   27 o 59.778  2.1746  487.691   34.321    474.650   52.318    497.542   45.473    58.958  3.3265  60.597  2.8016  -1.639076      4.349129 
1 1 1 -18 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 4   29 o 38.824  2.1561  203.130   21.869    225.338   34.874    188.738   28.074    40.495  3.2424  37.153  2.8427  3.342186       4.312129 
1 1 1 -18 4   30 o 20.318  2.8119  61.563    14.174    49.268    23.262    68.823    17.875    18.395  4.7030  22.241  3.0835  -3.846027      5.623776 
1 1 1 -18 4   31 o 9.8142  2.7504  7.8975    10.765    -1.5800   18.857    12.480    13.112    9.3510  4.0586  10.277  3.7132  -0.9263954     5.500883 
1 1 1 -18 4   32 o 59.366  2.3292  490.507   36.183    475.145   56.540    501.162   47.088    58.320  3.6377  60.412  2.9100  -2.091991      4.658432 
1 1 1 -18 4   33 o 7.8426  2.4700  -4.3442   10.380    -14.8070  18.039    0.8351    12.692    7.7149  3.5912  7.9704  3.3922  -0.2554250     4.940036 
1 1 1 -18 4   34 o 12.690  3.0587  15.308    12.720    39.956    22.341    3.4855    15.473    16.303  4.7959  9.0767  3.7977  7.225986       6.117492 
1 1 1 -18 4   35 o 10.099  2.9705  4.9090    12.275    11.750    22.525    2.0187    14.640    11.581  4.6842  8.6169  3.6544  2.963863       5.941098 
1 1 1 -18 4   36 o 14.519  6.4279  6.1990    49.456    6.1990    49.456    0.0000    0.0000    14.519  6.4279  ?       ?       ?              ?        
1 1 1 -18 4   37 o 26.252  3.1251  107.106   19.545    94.636    33.978    113.272   23.893    24.375  5.3511  28.130  3.2297  -3.755083      6.250190 
1 1 1 -18 4   38 o 12.121  3.0312  19.404    14.150    -11.6904  26.158    32.267    16.824    9.6834  4.4419  14.558  4.1259  -4.874302      6.062458 
1 1 1 -18 4   39 o 20.298  2.9151  41.079    16.517    141.135   32.310    5.6770    19.219    30.624  4.0375  9.9727  4.2058  20.65104       5.830100 
1 1 1 -18 4   40 o 28.181  3.2614  124.496   21.809    130.204   39.509    121.995   26.154    27.707  5.5177  28.656  3.4789  -0.9488716     6.522835 
1 1 1 -18 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 5   4  o 89.056  2.2349  1074.05   52.821    939.300   76.411    1197.37   73.100    83.642  3.4107  94.470  2.8889  -10.82745      4.469736 
1 1 1 -18 5   5  o 259.710 4.9569  9132.53   344.480   9638.44   488.960   8633.97   485.396   266.920 6.8392  252.500 7.1770  14.41943       9.913839 
1 1 1 -18 5   6  o 75.748  2.0764  776.017   41.776    678.406   60.134    867.077   58.081    71.096  3.1578  80.400  2.6970  -9.304039      4.152786 
1 1 1 -18 5   7  o 106.597 2.4414  1524.48   69.669    1594.94   100.003   1458.04   97.115    108.990 3.4256  104.203 3.4795  4.786903       4.882783 
1 1 1 -18 5   8  o 17.339  1.8566  41.695    9.0827    101.278   13.825    -3.5481   12.047    27.424  1.8938  7.2539  3.1940  20.16976       3.713180 
1 1 1 -18 5   9  o 144.198 3.0097  2794.53   116.208   2892.40   166.169   2700.85   162.575   146.672 4.2298  141.725 4.2827  4.946808       6.019342 
1 1 1 -18 5   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 5   11 o 87.694  2.2100  1029.54   51.778    1139.32   75.159    930.380   71.432    92.137  3.0455  83.251  3.2034  8.885384       4.420052 
1 1 1 -18 5   12 o 60.487  2.0245  499.002   32.222    421.941   47.126    566.655   44.156    55.975  3.1561  64.998  2.5363  -9.022282      4.048922 
1 1 1 -18 5   13 f 107.732 2.4982  1558.23   72.044    1586.19   104.035   1532.47   99.864    108.656 3.5747  106.808 3.4907  1.847839       4.996358 
1 1 1 -18 5   14 o 31.376  1.9364  134.757   15.867    120.718   23.715    146.134   21.349    29.836  3.0085  32.916  2.4388  -3.080017      3.872872 
1 1 1 -18 5   15 o 32.935  1.8773  144.241   16.277    172.034   24.751    123.063   21.606    35.710  2.6057  30.160  2.7032  5.549904       3.754545 
1 1 1 -18 5   16 o 132.706 2.8791  2369.20   102.284   2455.72   147.432   2288.90   142.023   135.038 4.0761  130.373 4.0671  4.665665       5.758105 
1 1 1 -18 5   17 o 96.915  2.3532  1257.79   60.722    1464.54   88.869    1076.74   83.162    104.371 3.1789  89.459  3.4707  14.91202       4.706477 
1 1 1 -18 5   18 o 81.566  2.2278  893.351   48.564    917.071   71.466    873.000   66.195    82.561  3.2317  80.571  3.0673  1.989960       4.455585 
1 1 1 -18 5   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 5   20 o 91.836  2.4260  1144.86   59.259    1051.32   86.701    1226.87   81.181    88.247  3.6681  95.426  3.1761  -7.178665      4.852063 
1 1 1 -18 5   21 f 128.712 2.8476  2239.53   98.071    2364.24   142.442   2127.13   135.227   132.113 4.0253  125.312 4.0288  6.801109       5.695173 
1 1 1 -18 5   22 o 20.311  2.3627  56.928    12.184    58.459    19.255    55.907    15.735    20.482  3.6434  20.139  3.0093  0.3433285      4.725476 
1 1 1 -18 5   23 o 100.228 2.5176  1362.44   67.388    1358.48   99.088    1365.84   91.918    100.044 3.6978  100.411 3.4177  -0.3678436     5.035288 
1 1 1 -18 5   24 o 33.748  2.1185  156.780   18.515    147.421   28.884    163.308   24.124    32.808  3.3332  34.688  2.6156  -1.880562      4.236955 
1 1 1 -18 5   25 o 43.397  2.1142  259.142   23.923    240.425   36.937    272.668   31.399    41.947  3.3145  44.847  2.6254  -2.899914      4.228311 
1 1 1 -18 5   26 o 33.035  2.1055  144.947   18.142    174.769   28.924    125.605   23.293    35.762  3.0487  30.308  2.9049  5.454044       4.211095 
1 1 1 -18 5   27 f 22.301  2.5024  64.381    13.747    108.162   22.712    39.072    17.269    28.048  3.0735  16.554  3.9498  11.49453       5.004733 
1 1 1 -18 5   28 f 7.8580  3.6459  -15.2301  18.356    -15.2301  18.356    0.0000    0.0000    7.8580  3.6459  ?       ?       ?              ?        
1 1 1 -18 5   29 o 58.289  2.2367  466.079   34.280    459.794   53.144    470.558   44.860    57.793  3.4488  58.785  2.8491  -0.9920120     4.473427 
1 1 1 -18 5   30 o 62.368  2.3193  540.505   37.861    505.155   58.527    565.943   49.648    60.367  3.6366  64.370  2.8796  -4.002502      4.638661 
1 1 1 -18 5   31 f 43.681  2.3707  271.634   26.355    237.389   42.088    293.724   33.803    41.090  3.8697  46.272  2.7396  -5.181667      4.741325 
1 1 1 -18 5   32 o 20.965  2.9436  60.887    15.403    76.769    26.265    52.562    19.016    22.884  4.4454  19.046  3.8599  3.837759       5.887258 
1 1 1 -18 5   33 o 14.691  3.0468  24.977    12.996    53.600    22.987    11.529    15.756    18.910  4.5857  10.472  4.0129  8.437735       6.093552 
1 1 1 -18 5   34 o 35.718  2.4794  179.148   22.537    190.875   37.668    172.610   28.127    36.355  3.9309  35.080  3.0230  1.275043       4.958845 
1 1 1 -18 5   35 o 25.030  3.3983  90.031    22.194    0.0000    0.0000    90.031    22.194    ?       ?       25.030  3.3983  ?              ?        
1 1 1 -18 5   36 o 12.075  3.1847  13.774    13.109    32.255    24.152    6.0560    15.607    14.740  5.0636  9.4101  3.8639  5.329994       6.369489 
1 1 1 -18 5   37 o 17.139  3.5155  44.349    16.122    52.217    29.179    40.893    19.342    17.964  5.5257  16.314  4.3477  1.649616       7.031040 
1 1 1 -18 5   38 o 22.525  3.5000  90.795    20.014    52.686    35.385    108.722   24.269    17.708  6.1264  27.342  3.3863  -9.634007      7.000026 
1 1 1 -18 5   39 o 11.127  3.2212  11.485    13.685    15.721    27.165    10.044    15.842    12.313  5.0816  9.9399  3.9601  2.373289       6.442487 
1 1 1 -18 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 6   3  o 46.439  3.4117  348.162   33.065    130.179   49.641    522.010   44.331    30.494  6.2865  62.383  2.6531  -31.88919      6.823443 
1 1 1 -18 6   4  o 99.619  2.3649  1332.00   63.075    1344.95   90.684    1319.85   87.790    100.086 3.3828  99.153  3.3056  0.9328003      4.729702 
1 1 1 -18 6   5  o 122.196 2.6687  2005.05   87.095    2217.08   125.095   1805.57   121.333   128.477 3.6352  115.915 3.9080  12.56123       5.337302 
1 1 1 -18 6   6  o 288.509 5.5256  11299.77  426.969   11211.89  605.792   11386.52  601.878   287.366 7.8704  289.651 7.7579  -2.285187      11.05119 
1 1 1 -18 6   7  o 89.996  2.2332  1084.96   53.636    1220.43   77.668    961.449   74.159    95.363  3.0407  84.628  3.2716  10.73456       4.466433 
1 1 1 -18 6   8  o 70.040  2.0063  657.958   37.580    661.825   54.765    654.517   51.663    70.231  2.9113  69.849  2.7614  0.3822021      4.012610 
1 1 1 -18 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 6   10 o 97.121  2.3581  1266.01   61.292    1277.91   88.664    1255.12   84.823    97.554  3.3932  96.689  3.2753  0.8648071      4.716103 
1 1 1 -18 6   11 o 55.758  1.9119  416.841   28.475    420.396   41.926    413.797   38.796    55.975  2.7964  55.541  2.6079  0.4343071      3.823758 
1 1 1 -18 6   12 o 140.686 3.0078  2662.26   113.301   2679.39   162.635   2646.10   157.934   141.118 4.3027  140.253 4.2041  0.8648834      6.015626 
1 1 1 -18 6   13 o 48.412  1.8652  312.802   23.988    354.583   35.730    278.518   32.366    51.343  2.6067  45.482  2.6685  5.860504       3.730382 
1 1 1 -18 6   14 o 81.164  2.2499  890.969   48.566    811.250   70.850    961.626   66.702    77.699  3.4044  84.630  2.9426  -6.931396      4.499827 
1 1 1 -18 6   15 o 102.106 2.4667  1402.39   67.348    1391.17   97.929    1412.46   92.769    101.706 3.5948  102.507 3.3788  -0.8001862     4.933434 
1 1 1 -18 6   16 o 78.666  2.1454  825.243   44.825    990.888   66.360    686.243   60.789    85.884  2.8848  71.449  3.1765  14.43486       4.290888 
1 1 1 -18 6   17 o 112.121 2.5704  1686.98   76.858    1922.14   112.103   1478.41   105.576   119.490 3.5027  104.752 3.7628  14.73798       5.140785 
1 1 1 -18 6   18 o 118.594 2.7347  1898.34   86.727    1880.48   125.964   1914.44   119.586   118.037 3.9842  119.151 3.7471  -1.114098      5.469406 
1 1 1 -18 6   19 o 79.353  2.7001  873.603   55.012    946.450   70.679    761.653   87.619    83.829  3.1478  74.878  4.3879  8.950516       5.400213 
1 1 1 -18 6   20 f 118.296 2.7168  1888.04   85.976    1997.87   125.350   1790.47   118.146   121.534 3.8507  115.058 3.8336  6.475922       5.433637 
1 1 1 -18 6   21 o 61.281  2.0680  505.593   33.744    513.301   50.712    499.469   45.203    61.678  3.0696  60.883  2.7719  0.7947960      4.135963 
1 1 1 -18 6   22 o 53.440  2.0846  391.568   29.233    351.411   44.193    422.811   38.981    50.870  3.2606  56.011  2.5983  -5.140923      4.169250 
1 1 1 -18 6   23 o 63.303  2.0863  536.677   35.178    590.931   53.293    494.787   46.829    66.099  3.0101  60.507  2.8895  5.592335       4.172518 
1 1 1 -18 6   24 o 26.975  2.1962  99.886    15.232    99.819    24.119    99.931    19.645    26.897  3.4256  27.053  2.7493  -0.1557922     4.392416 
1 1 1 -18 6   25 o 47.937  2.1163  314.302   26.569    303.953   41.172    321.686   34.780    47.179  3.2785  48.696  2.6769  -1.516991      4.232524 
1 1 1 -18 6   26 o 40.045  2.1244  217.707   22.245    225.533   35.010    212.409   28.807    40.585  3.2478  39.506  2.7393  1.078884       4.248820 
1 1 1 -18 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 6   28 f 41.395  2.1770  233.380   23.530    243.287   37.266    226.813   30.343    42.041  3.3369  40.750  2.7969  1.291084       4.354060 
1 1 1 -18 6   29 o 30.143  2.5884  135.273   18.835    96.959    29.804    160.748   24.303    26.016  4.4361  34.271  2.6686  -8.254522      5.176899 
1 1 1 -18 6   30 o 6.6629  2.2119  -13.0215  9.4893    -12.2316  15.962    -13.4532  11.801    7.3990  3.4213  5.9267  2.8043  1.472302       4.423717 
1 1 1 -18 6   31 o 47.876  2.2599  314.790   28.201    333.048   45.218    303.168   36.076    48.854  3.4783  46.897  2.8860  1.956619       4.519713 
1 1 1 -18 6   32 o 30.870  2.6891  141.057   20.261    118.180   33.363    154.422   25.502    28.393  4.5399  33.347  2.8835  -4.953136      5.378200 
1 1 1 -18 6   33 o 35.136  2.4595  171.727   22.120    189.117   36.744    161.842   27.702    36.304  3.8368  33.968  3.0782  2.335526       4.919021 
1 1 1 -18 6   34 o 41.819  2.4635  250.140   26.335    245.104   42.974    253.169   33.327    41.123  3.9501  42.515  2.9447  -1.391354      4.926911 
1 1 1 -18 6   35 o 27.468  4.9262  116.077   34.912    116.077   34.912    0.0000    0.0000    27.468  4.9262  ?       ?       ?              ?        
1 1 1 -18 6   36 f 12.236  3.2279  19.532    14.098    7.8281    26.126    24.340    16.744    11.563  4.8916  12.909  4.2129  -1.346482      6.455718 
1 1 1 -18 6   37 o 35.707  2.6793  178.786   24.262    218.907   41.735    158.307   29.817    38.329  4.1304  33.086  3.4137  5.243397       5.358531 
1 1 1 -18 6   38 f 9.1875  2.9037  -6.7215   12.691    10.639    25.357    -12.5235  14.659    11.568  4.8523  6.8068  3.1909  4.761395       5.807470 
1 1 1 -18 6   39 o 17.354  3.5458  53.931    17.811    34.783    33.079    61.748    21.136    14.845  5.7803  19.862  4.1084  -5.016512      7.091623 
1 1 1 -18 7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 7   2  o 98.170  2.8145  1286.59   68.643    1318.83   123.358   1272.13   82.615    98.990  4.6525  97.350  3.1684  1.639595       5.628906 
1 1 1 -18 7   3  o 175.477 3.5427  4147.33   166.503   4163.08   236.691   4131.90   234.268   175.803 5.0265  175.150 4.9936  0.6530151      7.085333 
1 1 1 -18 7   4  o 98.848  2.3912  1313.20   63.225    1284.59   91.226    1339.65   87.705    97.803  3.4824  99.893  3.2779  -2.089630      4.782461 
1 1 1 -18 7   5  o 127.495 2.7678  2182.12   94.261    2412.87   135.788   1967.52   130.952   134.008 3.7831  120.983 4.0411  13.02507       5.535547 
1 1 1 -18 7   6  o 140.491 2.9852  2653.21   112.300   2689.55   161.199   2618.94   156.537   141.421 4.2556  139.562 4.1876  1.859741       5.970410 
1 1 1 -18 7   7  o 175.391 4.3382  4151.44   191.187   4166.18   334.392   4144.28   233.032   175.362 7.1192  175.419 4.9596  -0.5657959E-01 8.676457 
1 1 1 -18 7   8  o 97.815  3.0307  1386.19   72.019    1022.01   121.023   1585.87   89.614    86.930  5.2219  108.700 3.0779  -21.77001      6.061494 
1 1 1 -18 7   9  o 59.970  2.2389  487.756   33.950    496.765   41.997    470.766   57.673    60.857  2.5764  59.083  3.6624  1.773392       4.477878 
1 1 1 -18 7   10 o 76.580  2.0235  786.911   41.505    781.713   58.349    792.235   59.051    76.325  2.8541  76.836  2.8693  -0.5111618     4.047085 
1 1 1 -18 7   11 f 148.385 3.0219  2962.95   120.045   2844.77   169.296   3082.46   170.246   145.397 4.3471  151.374 4.1989  -5.976547      6.043876 
1 1 1 -18 7   12 o 93.331  2.2839  1170.32   57.070    1201.49   80.388    1138.65   81.035    94.589  3.1729  92.073  3.2859  2.515831       4.567760 
1 1 1 -18 7   13 o 130.291 2.8404  2284.81   99.092    2343.45   139.824   2225.64   140.453   131.980 3.9554  128.601 4.0775  3.378723       5.680775 
1 1 1 -18 7   14 o 155.622 3.2066  3265.01   133.646   3200.11   188.545   3330.54   189.467   154.060 4.5692  157.184 4.5002  -3.124023      6.413221 
1 1 1 -18 7   15 o 64.514  1.9269  558.791   33.289    543.175   46.713    574.905   47.453    63.598  2.7422  65.431  2.7076  -1.833435      3.853710 
1 1 1 -18 7   16 o 130.489 2.7712  2294.99   96.854    2279.70   136.547   2310.48   137.403   130.051 3.9199  130.926 3.9181  -0.8754578     5.542355 
1 1 1 -18 7   17 f 108.500 2.5037  1586.03   72.759    1576.99   102.528   1595.20   103.269   108.189 3.5381  108.811 3.5433  -0.6219330     5.007310 
1 1 1 -18 7   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 7   19 o 153.825 3.2572  3212.87   134.198   3237.77   189.494   3187.81   190.077   154.434 4.5810  153.215 4.6317  1.219116       6.514471 
1 1 1 -18 7   20 o 86.724  2.2264  1015.11   51.707    1031.52   72.836    998.438   73.417    87.438  3.1100  86.009  3.1869  1.429390       4.452862 
1 1 1 -18 7   21 f 36.416  1.8351  179.931   17.737    192.536   24.961    167.074   25.210    37.730  2.4838  35.102  2.7021  2.628174       3.670213 
1 1 1 -18 7   22 o 19.999  2.1252  55.343    10.868    43.710    15.024    68.114    15.741    17.689  3.2921  22.310  2.6883  -4.620596      4.250305 
1 1 1 -18 7   23 o 41.185  1.8670  230.646   20.406    252.005   28.757    208.986   28.960    43.144  2.4992  39.225  2.7743  3.919907       3.734018 
1 1 1 -18 7   24 o 52.523  1.9107  373.593   26.821    360.587   37.705    386.915   38.161    51.555  2.7404  53.492  2.6634  -1.936821      3.821443 
1 1 1 -18 7   25 o 32.376  2.7101  150.771   20.323    132.782   37.497    158.253   24.183    30.660  4.7172  34.092  2.6696  -3.432362      5.420263 
1 1 1 -18 7   26 o 70.704  2.3030  685.521   43.012    658.409   65.289    706.311   57.172    69.313  3.5283  72.095  2.9607  -2.781708      4.605947 
1 1 1 -18 7   27 o 34.766  2.5836  168.523   23.477    190.716   33.073    145.983   33.331    37.201  3.3553  32.331  3.9297  4.870388       5.167253 
1 1 1 -18 7   28 o 11.901  2.9476  17.939    11.248    13.854    20.010    19.825    13.600    11.777  4.5200  12.024  3.7846  -0.2473469     5.895232 
1 1 1 -18 7   29 o 21.083  2.8029  60.308    14.803    78.502    24.946    50.421    18.390    23.408  4.1297  18.757  3.7908  4.651386       5.605735 
1 1 1 -18 7   30 o 17.760  3.0124  43.303    13.576    56.838    23.594    36.604    16.600    19.646  4.5698  15.874  3.9260  3.772129       6.024703 
1 1 1 -18 7   31 o 15.175  2.7234  21.360    12.532    68.917    22.631    0.3271    15.050    21.792  4.0254  8.5576  3.6692  13.23454       5.446745 
1 1 1 -18 7   32 o 61.981  2.3298  530.252   37.999    585.060   59.938    493.420   49.136    64.465  3.4843  59.496  3.0940  4.968193       4.659692 
1 1 1 -18 7   33 o 14.512  3.2323  26.404    13.282    46.373    24.563    18.153    15.789    17.357  5.0068  11.667  4.0892  5.689829       6.464523 
1 1 1 -18 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 7   35 o 20.138  3.2498  54.291    16.255    90.910    30.124    39.248    19.307    24.262  4.8055  16.014  4.3765  8.247601       6.499692 
1 1 1 -18 7   36 o 25.603  3.1663  96.378    19.637    110.562   35.202    89.971    23.660    26.456  5.1528  24.750  3.6811  1.706566       6.332668 
1 1 1 -18 7   37 o 21.993  3.4155  89.417    19.369    43.010    34.805    110.238   23.313    16.370  6.0290  27.617  3.2116  -11.24675      6.831035 
1 1 1 -18 7   38 o 9.0013  2.7561  -1.2129   13.312    -37.6424  26.186    11.482    15.458    7.9036  3.8487  10.099  3.9461  -2.195489      5.512204 
1 1 1 -18 8   1  o 174.253 3.4568  4089.49   161.334   4035.81   227.630   4143.68   228.695   173.100 4.9096  175.406 4.8677  -2.306488      6.913629 
1 1 1 -18 8   2  o 101.105 2.2797  1372.06   61.728    1342.84   86.643    1402.19   87.964    100.011 3.2344  102.198 3.2134  -2.187614      4.559361 
1 1 1 -18 8   3  o 100.670 2.3501  1361.14   63.351    1382.32   88.989    1339.38   90.207    101.468 3.2743  99.872  3.3721  1.596039       4.700269 
1 1 1 -18 8   4  o 244.914 4.7206  8119.28   309.512   7808.23   437.202   8431.80   438.232   240.164 6.7965  249.664 6.5533  -9.499741      9.441293 
1 1 1 -18 8   5  o 207.654 4.0501  5819.38   225.255   5888.45   318.618   5750.37   318.497   208.895 5.6945  206.413 5.7608  2.482056       8.100204 
1 1 1 -18 8   6  o 60.866  1.8928  497.060   30.843    477.091   43.484    517.279   43.754    59.634  2.7224  62.098  2.6306  -2.464462      3.785636 
1 1 1 -18 8   7  o 115.540 2.5804  1793.47   79.856    1792.46   112.804   1794.48   113.065   115.508 3.6461  115.573 3.6524  -0.6458282E-01 5.160813 
1 1 1 -18 8   8  o 160.352 4.7283  3488.02   202.642   3300.63   290.576   3665.43   282.741   156.082 6.9505  164.622 6.4123  -8.540588      9.456599 
1 1 1 -18 8   9  o 100.953 2.3528  1369.02   63.566    1297.85   89.548    1441.31   90.249    98.301  3.4010  103.604 3.2522  -5.303032      4.705677 
1 1 1 -18 8   10 o 168.223 3.4404  3813.88   154.986   3898.38   218.881   3728.90   219.486   170.105 4.8040  166.340 4.9263  3.764282       6.880898 
1 1 1 -18 8   11 o 146.389 3.0847  2884.91   120.944   2848.37   170.611   2921.82   171.475   145.454 4.3792  147.324 4.3455  -1.869293      6.169303 
1 1 1 -18 8   12 f 116.205 2.6105  1815.69   81.243    1775.52   114.453   1856.48   115.342   114.906 3.7187  117.504 3.6648  -2.597725      5.221052 
1 1 1 -18 8   13 o 25.124  1.8354  85.451    12.151    79.046    16.809    92.461    17.587    24.124  2.6448  26.125  2.5456  -2.001076      3.670820 
1 1 1 -18 8   14 o 34.731  1.7708  162.740   16.358    161.999   22.844    163.519   23.435    34.653  2.4775  34.810  2.5308  -0.1574211     3.541608 
1 1 1 -18 8   15 o 126.626 2.7335  2160.73   92.710    2143.17   130.700   2178.52   131.528   126.107 3.8694  127.144 3.8622  -1.037430      5.467069 
1 1 1 -18 8   16 o 46.429  1.8743  290.355   23.185    271.754   32.320    310.075   33.279    44.888  2.7008  47.970  2.5997  -3.082741      3.748694 
1 1 1 -18 8   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 8   18 o 26.955  1.8894  99.225    13.372    108.914   18.658    88.993    19.174    28.354  2.4817  25.555  2.8497  2.798937       3.778787 
1 1 1 -18 8   19 f 31.743  1.8149  136.475   15.295    135.979   21.362    136.996   21.909    31.687  2.5382  31.799  2.5950  -0.1111298     3.629886 
1 1 1 -18 8   20 o 8.4542  2.2817  6.5546    7.1837    5.3086    9.8361    7.9790    10.517    8.0656  3.1488  8.8428  3.3029  -0.7772064     4.563308 
1 1 1 -18 8   21 o 39.538  1.8532  212.089   19.481    221.518   27.226    202.196   27.887    40.460  2.5249  38.616  2.7134  1.843578       3.706456 
1 1 1 -18 8   22 o 69.520  2.0384  653.654   37.954    652.985   53.369    654.338   53.986    69.487  2.8674  69.552  2.8979  -0.6475830E-01 4.076741 
1 1 1 -18 8   23 o 17.639  2.3120  43.888    10.476    50.291    14.671    37.225    14.965    19.047  2.9727  16.231  3.5419  2.816252       4.624095 
1 1 1 -18 8   24 o 48.004  1.9119  312.667   24.453    292.076   34.102    334.460   35.084    46.360  2.7587  49.648  2.6478  -3.288013      3.823778 
1 1 1 -18 8   25 o 54.304  1.9578  400.474   28.422    405.118   39.987    395.734   40.405    54.667  2.7309  53.942  2.8062  0.7248917      3.915697 
1 1 1 -18 8   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 8   27 o 16.019  2.5621  36.959    10.771    42.636    14.923    30.786    15.562    17.368  3.3292  14.670  3.8953  2.698091       5.124103 
1 1 1 -18 8   28 o 33.177  2.0037  151.485   17.611    156.875   24.622    145.840   25.199    33.813  2.7423  32.541  2.9223  1.271793       4.007457 
1 1 1 -18 8   29 o 51.577  1.9916  365.036   27.399    356.972   38.132    373.644   39.396    50.993  2.8025  52.161  2.8304  -1.167885      3.983119 
1 1 1 -18 8   30 o 15.375  2.6968  34.187    11.149    27.242    15.377    41.885    16.188    13.735  3.9612  17.015  3.6606  -3.280133      5.393622 
1 1 1 -18 8   31 o 21.003  2.9201  60.172    15.210    82.288    26.548    49.364    18.558    23.641  4.3528  18.365  3.8936  5.276239       5.840102 
1 1 1 -18 8   32 o 17.543  3.2162  45.417    14.662    50.616    25.149    42.740    18.045    18.135  5.0110  16.950  4.0331  1.184847       6.432408 
1 1 1 -18 8   33 o 23.233  2.9245  67.582    16.598    136.849   30.197    37.598    19.868    30.732  3.7460  15.734  4.4921  14.99829       5.849076 
1 1 1 -18 8   34 o 21.273  3.2454  62.338    16.988    93.872    31.006    48.809    20.308    24.643  4.8701  17.903  4.2910  6.739948       6.490785 
1 1 1 -18 8   35 o 8.7664  2.6656  -1.3862   12.212    -32.3696  23.472    10.113    14.300    7.7256  3.7337  9.8071  3.8055  -2.081491      5.331218 
1 1 1 -18 8   36 o 25.368  3.4801  109.486   21.015    79.206    36.873    124.053   25.575    21.455  6.1177  29.281  3.3195  -7.826759      6.960280 
1 1 1 -18 8   37 o 11.016  3.1790  12.179    14.353    -0.2162   27.757    16.704    16.769    10.788  4.7940  11.243  4.1764  -0.4552259     6.358037 
1 1 1 -18 8   38 o 15.184  3.6181  29.589    16.144    64.915    31.859    17.385    18.726    18.947  5.7638  11.420  4.3751  7.527637       7.236207 
1 1 1 -18 9   1  o 126.209 2.6647  2140.73   90.075    2152.67   126.940   2128.62   127.835   126.566 3.7445  125.851 3.7923  0.7144852      5.329442 
1 1 1 -18 9   2  o 108.692 2.3953  1586.54   69.729    1582.80   98.025    1590.36   99.209    108.564 3.3710  108.820 3.4037  -0.2559738     4.790514 
1 1 1 -18 9   3  o 46.281  1.7524  287.977   21.620    270.242   30.235    306.533   30.927    44.815  2.5292  47.747  2.4262  -2.931667      3.504757 
1 1 1 -18 9   4  o 251.500 4.8586  8567.60   327.293   8552.18   462.621   8583.05   463.103   251.272 6.8737  251.728 6.8684  -0.4553528     9.717172 
1 1 1 -18 9   5  o 215.303 4.1889  6261.05   241.559   6199.74   341.626   6322.35   341.608   214.240 5.9534  216.366 5.8945  -2.126221      8.377835 
1 1 1 -18 9   6  o 47.182  2.1183  303.920   25.445    286.125   42.074    314.181   31.951    46.028  3.4376  48.336  2.4762  -2.307510      4.236547 
1 1 1 -18 9   7  o 35.942  2.1193  180.741   18.997    195.664   23.835    154.757   31.452    38.125  2.3455  33.759  3.5306  4.366516       4.238648 
1 1 1 -18 9   8  o 114.345 2.5781  1757.16   78.950    1790.18   111.655   1724.15   111.650   115.423 3.6116  113.267 3.6802  2.155663       5.156268 
1 1 1 -18 9   9  o 134.897 2.8781  2447.92   103.984   2415.32   146.949   2480.61   147.164   133.994 4.0944  135.800 4.0459  -1.806122      5.756168 
1 1 1 -18 9   10 o 104.596 2.4043  1470.11   67.351    1492.29   95.123    1447.81   95.375    105.390 3.3697  103.801 3.4304  1.588669       4.808599 
1 1 1 -18 9   11 o 22.712  1.8655  70.347    11.090    76.412    15.616    64.176    15.753    23.734  2.4938  21.690  2.7752  2.044373       3.731065 
1 1 1 -18 9   12 o 90.352  2.2636  1097.30   54.766    1121.15   77.233    1073.18   77.670    91.344  3.1567  89.360  3.2451  1.984024       4.527168 
1 1 1 -18 9   13 o 102.646 2.4169  1417.44   66.440    1437.74   93.696    1396.91   94.226    103.389 3.3834  101.902 3.4522  1.487625       4.833777 
1 1 1 -18 9   14 f 38.858  1.8235  203.804   18.859    210.917   26.556    196.566   26.787    39.552  2.5199  38.164  2.6366  1.387482       3.647084 
1 1 1 -18 9   15 o 99.320  2.3961  1328.36   63.740    1320.64   89.798    1336.19   90.491    99.029  3.3854  99.610  3.3917  -0.5801163     4.792149 
1 1 1 -18 9   16 o 89.056  4.7895  1078.64   113.828   0.0000    0.0000    1078.64   113.828   ?       ?       89.056  4.7895  ?              ?        
1 1 1 -18 9   17 o 46.935  1.8481  297.224   23.138    297.469   32.466    296.972   32.984    46.957  2.5913  46.912  2.6357  0.4527283E-01  3.696178 
1 1 1 -18 9   18 o 17.384  2.2391  42.787    9.9235    53.506    13.914    31.690    14.157    19.754  2.7005  15.014  3.5722  4.740509       4.478103 
1 1 1 -18 9   19 f 34.006  1.8185  156.660   16.430    156.869   22.835    156.435   23.657    34.037  2.5227  33.975  2.6198  0.6194305E-01  3.636923 
1 1 1 -18 9   20 o 33.018  1.8309  147.549   16.038    137.266   22.135    158.912   23.269    31.797  2.6224  34.239  2.5557  -2.441809      3.661798 
1 1 1 -18 9   21 o 8.9857  2.1867  6.8196    7.0349    -1.5311   9.2859    18.069    10.778    6.5437  2.8441  11.428  3.3224  -4.883986      4.373441 
1 1 1 -18 9   22 o 73.142  2.1256  726.076   41.578    765.312   58.451    685.888   59.156    75.174  2.9029  71.110  3.1059  4.064636       4.251263 
1 1 1 -18 9   23 o 39.174  1.8737  208.374   19.534    199.791   27.198    217.519   28.073    38.335  2.6654  40.014  2.6341  -1.679043      3.747342 
1 1 1 -18 9   24 o 38.970  1.9270  207.589   19.903    221.585   27.640    192.516   28.684    40.382  2.5687  37.559  2.8730  2.823284       3.853908 
1 1 1 -18 9   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 9   26 o 50.761  1.9828  351.599   26.849    348.618   37.560    354.714   38.394    50.546  2.7850  50.975  2.8230  -0.4284859     3.965539 
1 1 1 -18 9   27 o 18.163  2.4622  47.242    11.475    31.262    15.877    64.718    16.603    14.751  3.9427  21.575  2.9505  -6.823376      4.924426 
1 1 1 -18 9   28 o 29.190  2.0933  117.680   16.030    101.517   22.103    135.616   23.284    27.012  3.1119  31.369  2.8006  -4.357794      4.186543 
1 1 1 -18 9   29 o 24.382  2.3232  84.704    14.458    101.855   20.332    67.159    20.564    27.094  2.8441  21.670  3.6742  5.423967       4.646344 
1 1 1 -18 9   30 o 27.530  2.1942  106.568   15.734    90.446    22.026    123.363   22.482    25.281  3.3341  29.780  2.8535  -4.498724      4.388491 
1 1 1 -18 9   31 o 14.731  2.7404  31.922    11.471    19.245    16.203    44.660    16.243    11.960  4.1453  17.502  3.5854  -5.542033      5.480727 
1 1 1 -18 9   32 o 36.619  2.0938  188.234   20.331    175.708   28.455    201.298   29.061    35.324  3.0369  37.913  2.8834  -2.589043      4.187679 
1 1 1 -18 9   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 9   34 o 16.693  3.5589  45.013    16.339    33.926    33.898    48.368    18.649    15.467  5.8957  17.920  3.9880  -2.452986      7.117817 
1 1 1 -18 9   35 o 11.902  3.1143  17.488    14.643    -10.2334  26.805    29.279    17.482    9.9101  4.5275  13.894  4.2776  -3.983958      6.228616 
1 1 1 -18 9   36 o 11.986  3.3126  17.739    14.878    11.360    27.333    20.425    17.735    11.919  5.0206  12.053  4.3229  -0.1339817     6.625271 
1 1 1 -18 9   37 o 15.114  3.6431  34.925    16.215    46.032    31.205    30.818    18.978    16.298  5.7460  13.929  4.4802  2.368849       7.286178 
1 1 1 -18 10  1  o 89.274  2.1635  1071.89   51.612    1150.55   72.733    992.103   73.251    92.588  2.9328  85.960  3.1815  6.627945       4.327055 
1 1 1 -18 10  2  o 312.023 5.9550  13271.55  497.651   13438.58  703.110   13103.87  704.460   314.031 8.3591  310.015 8.4837  4.015656       11.91000 
1 1 1 -18 10  3  o 34.445  1.7459  160.530   15.921    177.001   22.421    143.777   22.612    36.256  2.3210  32.634  2.6088  3.622330       3.491825 
1 1 1 -18 10  4  o 124.642 2.7338  2088.68   91.243    2027.65   128.828   2150.11   129.247   122.808 3.9164  126.475 3.8153  -3.666779      5.467611 
1 1 1 -18 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 10  6  o 112.104 2.5689  1688.89   77.136    1680.19   109.212   1697.56   108.961   111.814 3.6466  112.394 3.6194  -0.5794144     5.137867 
1 1 1 -18 10  7  o 44.487  1.7659  266.318   20.954    272.970   29.747    259.767   29.523    45.042  2.4751  43.932  2.5194  1.109886       3.531831 
1 1 1 -18 10  8  o 185.748 3.7384  4656.97   185.987   4611.23   263.044   4702.70   263.007   184.828 5.3134  186.667 5.2603  -1.838593      7.476820 
1 1 1 -18 10  9  f 22.159  1.8897  66.861    10.987    66.401    15.671    67.305    15.407    22.079  2.7067  22.240  2.6378  -0.1611938     3.779439 
1 1 1 -18 10  10 o 25.982  1.8631  92.239    12.546    112.189   17.911    73.022    17.578    28.823  2.3401  23.140  2.8998  5.683359       3.726252 
1 1 1 -18 10  11 o 106.102 2.4684  1514.13   70.150    1521.22   99.059    1507.00   99.354    106.353 3.4774  105.851 3.5043  0.5017624      4.936854 
1 1 1 -18 10  12 o 80.145  2.1378  863.357   45.888    869.970   64.675    856.654   65.119    80.456  3.0012  79.834  3.0453  0.6222610      4.275625 
1 1 1 -18 10  13 o 45.161  1.8303  274.938   22.038    282.937   31.101    266.870   31.233    45.828  2.5436  44.495  2.6324  1.333885       3.660577 
1 1 1 -18 10  14 o 41.841  1.8403  236.104   20.517    228.848   28.829    243.550   29.205    41.184  2.6271  42.497  2.5779  -1.313030      3.680661 
1 1 1 -18 10  15 o 106.127 2.9773  1519.08   80.816    1538.69   136.608   1508.52   100.239   106.498 4.7890  105.757 3.5386  0.7406464      5.954559 
1 1 1 -18 10  16 o 48.602  2.1960  322.082   27.077    328.032   33.721    311.283   45.428    49.320  2.5615  47.883  3.5676  1.436832       4.391923 
1 1 1 -18 10  17 o 92.248  2.2872  1148.65   56.502    1119.16   79.544    1178.69   80.274    91.047  3.2618  93.450  3.2071  -2.402489      4.574320 
1 1 1 -18 10  18 o 111.875 2.5774  1696.15   77.225    1715.57   108.897   1676.50   109.531   112.531 3.6129  111.219 3.6768  1.311516       5.154792 
1 1 1 -18 10  19 o 42.763  1.8693  248.419   21.207    273.607   29.881    222.856   30.102    44.988  2.4894  40.537  2.7894  4.451775       3.738680 
1 1 1 -18 10  20 o 16.474  2.2907  38.312    9.7171    41.972    13.367    34.210    14.150    17.375  2.9796  15.572  3.4801  1.802670       4.581365 
1 1 1 -18 10  21 o 31.578  1.8944  135.832   15.862    138.647   22.211    132.902   22.659    31.925  2.6206  31.231  2.7364  0.6949024      3.788832 
1 1 1 -18 10  22 o 63.766  2.0402  551.438   34.830    562.650   48.880    539.873   49.643    64.438  2.8320  63.093  2.9376  1.345642       4.080388 
1 1 1 -18 10  23 o 80.776  2.2197  887.534   48.019    868.769   67.414    906.860   68.416    79.905  3.1498  81.647  3.1285  -1.741638      4.439427 
1 1 1 -18 10  24 o 101.845 3.5512  1420.58   96.874    0.0000    0.0000    1420.58   96.874    ?       ?       101.845 3.5512  ?              ?        
1 1 1 -18 10  25 o 15.839  2.5725  35.951    10.694    39.014    14.833    32.635    15.432    16.576  3.4529  15.101  3.8142  1.474903       5.144954 
1 1 1 -18 10  26 o 46.207  1.9465  291.585   23.965    278.561   33.249    305.667   34.574    45.127  2.7641  47.287  2.7414  -2.160065      3.893044 
1 1 1 -18 10  27 o 49.681  1.9890  338.329   26.348    327.193   36.679    350.203   37.873    48.833  2.8162  50.529  2.8095  -1.695816      3.977928 
1 1 1 -18 10  28 o 38.672  2.0093  206.215   20.657    202.407   28.686    210.316   29.771    38.309  2.8153  39.034  2.8676  -0.7240601     4.018602 
1 1 1 -18 10  29 f 13.505  2.7625  26.390    10.705    31.607    14.995    20.968    15.287    14.712  3.7838  12.299  4.0259  2.412722       5.524991 
1 1 1 -18 10  30 o 10.895  2.6718  14.390    10.090    23.350    14.201    5.2565    14.339    12.716  3.8438  9.0737  3.7121  3.642269       5.343633 
1 1 1 -18 10  31 o 28.003  2.1755  110.540   15.999    100.191   22.027    122.096   23.276    26.567  3.1573  29.438  2.9936  -2.871147      4.350925 
1 1 1 -18 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 10  33 o 10.515  2.4238  9.9491    10.215    29.930    13.790    -14.3502  15.207    14.176  3.6192  6.8547  3.2250  7.321448       4.847647 
1 1 1 -18 10  34 o 24.884  2.4717  89.954    15.814    73.505    21.681    108.652   23.116    22.265  3.7700  27.502  3.1977  -5.236483      4.943473 
1 1 1 -18 10  35 o 8.7686  2.5953  2.0633    10.654    -6.5463   14.957    10.931    15.179    7.5046  3.4104  10.033  3.9130  -2.528137      5.190637 
1 1 1 -18 10  36 o 12.817  3.0435  25.045    12.336    25.717    17.142    24.322    17.766    12.946  4.2646  12.688  4.3435  0.2586660      6.087059 
1 1 1 -18 11  1  o 32.745  1.6815  144.621   14.637    138.440   20.683    150.822   20.717    32.035  2.4285  33.454  2.3265  -1.419117      3.363088 
1 1 1 -18 11  2  o 114.198 2.5668  1752.99   78.494    1783.13   110.533   1722.33   111.487   115.194 3.5824  113.202 3.6769  1.991241       5.133506 
1 1 1 -18 11  3  o 109.568 2.4899  1613.02   73.049    1559.42   102.822   1667.65   103.798   107.726 3.5635  111.410 3.4784  -3.684402      4.979710 
1 1 1 -18 11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 11  5  o 109.891 2.5529  1623.09   75.144    1624.81   106.324   1621.37   106.214   109.950 3.6104  109.833 3.6104  0.1165085      5.105872 
1 1 1 -18 11  6  o 92.100  2.2931  1139.42   56.566    1133.74   80.141    1145.05   79.852    91.870  3.2568  92.329  3.2289  -0.4591293     4.586139 
1 1 1 -18 11  7  f 56.831  1.8924  433.488   28.798    446.956   40.850    420.181   40.604    57.710  2.6427  55.952  2.7093  1.758236       3.784752 
1 1 1 -18 11  8  f 74.396  2.1033  743.608   41.871    784.554   59.392    703.147   59.040    76.438  2.9009  72.354  3.0464  4.084091       4.206645 
1 1 1 -18 11  9  o 97.967  2.3760  1290.26   62.344    1304.29   88.256    1276.28   88.079    98.500  3.3452  97.433  3.3750  1.066765       4.751933 
1 1 1 -18 11  10 o 177.967 3.5945  4282.43   171.338   4252.70   242.283   4312.17   242.334   177.343 5.1006  178.590 5.0660  -1.247314      7.188923 
1 1 1 -18 11  11 o 96.735  2.3376  1258.90   60.567    1246.84   85.627    1270.99   85.681    96.269  3.3207  97.201  3.2910  -0.9318161     4.675261 
1 1 1 -18 11  12 o 86.147  2.2040  998.512   50.846    1019.43   71.814    977.482   71.999    87.057  3.0798  85.237  3.1536  1.819092       4.407982 
1 1 1 -18 11  13 o 39.819  1.8395  213.991   19.507    220.087   27.684    207.979   27.492    40.388  2.5724  39.250  2.6302  1.138268       3.679080 
1 1 1 -18 11  14 o 76.570  2.5011  789.195   49.104    802.149   82.201    782.008   61.228    76.928  4.0032  76.213  2.9994  0.7155991      5.002202 
1 1 1 -18 11  15 o 49.580  2.2742  344.251   28.233    372.403   35.365    294.780   46.880    52.620  2.5091  46.540  3.7938  6.080650       4.548484 
1 1 1 -18 11  16 o 87.717  2.2659  1038.77   53.235    1041.22   74.926    1036.26   75.650    87.826  3.1851  87.609  3.2239  0.2179565      4.531883 
1 1 1 -18 11  17 o 14.675  2.3303  30.138    8.9592    25.275    12.368    35.507    12.996    13.412  3.4294  15.938  3.1560  -2.525372      4.660587 
1 1 1 -18 11  18 o 24.784  1.9397  83.841    12.656    81.378    17.628    86.460    18.181    24.404  2.7445  25.164  2.7418  -0.7600708     3.879410 
1 1 1 -18 11  19 o 30.229  1.8713  124.365   14.988    125.394   20.859    123.268   21.549    30.370  2.5890  30.089  2.7026  0.2805405      3.742596 
1 1 1 -18 11  20 o 75.417  2.1400  771.577   43.202    795.878   60.765    746.738   61.433    76.639  2.9602  74.196  3.0913  2.442795       4.280004 
1 1 1 -18 11  21 o 65.151  2.0336  576.045   35.444    603.874   49.871    547.640   50.383    66.766  2.7887  63.535  2.9606  3.230648       4.067189 
1 1 1 -18 11  22 o 66.384  2.0649  598.372   36.709    600.744   51.540    595.929   52.299    66.526  2.8924  66.241  2.9476  0.2842255      4.129728 
1 1 1 -18 11  23 o 108.345 2.5972  1610.23   75.369    1607.17   106.075   1613.35   107.108   108.251 3.6584  108.439 3.6877  -0.1873932     5.194478 
1 1 1 -18 11  24 o 89.320  3.2853  1091.82   78.598    1091.82   78.598    0.0000    0.0000    89.320  3.2853  ?       ?       ?              ?        
1 1 1 -18 11  25 o 33.470  1.9720  153.460   17.503    147.111   24.148    160.487   25.406    32.740  2.7799  34.201  2.7978  -1.460621      3.944078 
1 1 1 -18 11  26 o 58.728  2.0226  471.829   31.808    457.862   44.575    486.320   45.403    57.835  2.8774  59.621  2.8432  -1.785522      4.045152 
1 1 1 -18 11  27 o 12.744  2.7301  23.154    10.179    25.900    13.648    19.711    15.280    13.411  3.6856  12.078  4.0286  1.332804       5.460103 
1 1 1 -18 11  28 o 29.996  2.1268  125.674   16.586    100.878   22.967    152.702   23.979    26.763  3.2721  33.229  2.7179  -6.466326      4.253621 
1 1 1 -18 11  29 o 24.516  2.2365  84.761    14.321    80.359    19.602    89.800    20.973    23.832  3.1479  25.200  3.1779  -1.368431      4.473040 
1 1 1 -18 11  30 o 42.691  2.0676  255.279   23.459    269.070   33.000    241.191   33.354    43.926  2.8197  41.456  3.0247  2.470322       4.135159 
1 1 1 -18 11  31 o 24.553  3.4233  86.946    21.900    0.0000    0.0000    86.946    21.900    ?       ?       24.553  3.4233  ?              ?        
1 1 1 -18 11  32 f 19.441  2.7159  57.405    13.545    67.510    18.471    45.648    19.923    21.609  3.2956  17.273  4.3179  4.335535       5.431896 
1 1 1 -18 11  33 o 17.529  2.8495  46.086    13.136    37.732    17.788    56.105    19.480    15.714  4.1608  19.344  3.8945  -3.630115      5.699075 
1 1 1 -18 11  34 o 17.758  2.6892  48.784    14.315    89.419    20.379    9.2053    20.112    24.892  3.1255  10.623  4.3770  14.26929       5.378316 
1 1 1 -18 11  35 o 13.734  3.0370  29.344    12.368    29.051    16.664    29.704    18.453    13.673  4.1706  13.794  4.4158  -0.1214228     6.073997 
1 1 1 -18 12  1  o 103.561 2.3636  1440.81   65.561    1437.00   92.296    1444.69   93.143    103.424 3.3317  103.698 3.3535  -0.2742004     4.727168 
1 1 1 -18 12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 12  3  o 117.791 2.6399  1865.62   83.286    1864.45   117.346   1866.80   118.227   117.756 3.7205  117.826 3.7461  -0.7085419E-01 5.279724 
1 1 1 -18 12  4  o 114.112 2.5718  1750.74   78.595    1715.21   110.913   1786.57   111.390   112.945 3.6663  115.278 3.6075  -2.333008      5.143515 
1 1 1 -18 12  5  o 85.166  2.1937  974.266   50.041    963.607   70.718    984.955   70.819    84.699  3.1172  85.634  3.0876  -0.9354630     4.387470 
1 1 1 -18 12  6  o 56.072  1.8806  422.091   28.232    438.149   40.024    406.191   39.828    57.136  2.6153  55.008  2.7031  2.127216       3.761244 
1 1 1 -18 12  7  o 56.317  1.9360  426.627   29.127    408.014   41.258    445.121   41.127    55.051  2.8073  57.582  2.6666  -2.530640      3.871918 
1 1 1 -18 12  8  o 66.073  2.0129  586.577   35.611    570.659   50.478    602.349   50.245    65.177  2.8915  66.969  2.8011  -1.791557      4.025759 
1 1 1 -18 12  9  f 109.737 2.4887  1620.75   73.148    1640.48   103.636   1601.16   103.258   110.405 3.5046  109.069 3.5346  1.335854       4.977463 
1 1 1 -18 12  10 o 154.795 3.2419  3239.02   134.411   3213.79   190.161   3264.21   190.010   154.186 4.6045  155.403 4.5648  -1.217072      6.483800 
1 1 1 -18 12  11 o 48.146  1.8570  312.493   23.844    301.420   33.704    323.588   33.738    47.284  2.6722  49.008  2.5793  -1.723888      3.713924 
1 1 1 -18 12  12 o 72.483  2.0444  706.885   39.681    686.750   55.979    727.220   56.257    71.441  2.9254  73.524  2.8566  -2.082870      4.088837 
1 1 1 -18 12  13 o 19.712  3.0088  53.513    15.382    0.0000    0.0000    53.513    15.382    ?       ?       19.712  3.0088  ?              ?        
1 1 1 -18 12  14 o 71.977  2.4616  701.007   45.294    701.476   56.434    700.158   75.931    72.155  2.9200  71.799  3.9637  0.3554688      4.923145 
1 1 1 -18 12  15 o 87.481  2.2473  1033.36   52.658    1028.06   74.227    1038.73   74.715    87.256  3.1760  87.707  3.1804  -0.4504700     4.494643 
1 1 1 -18 12  16 o 59.338  1.9373  475.013   30.782    482.744   43.278    467.098   43.792    59.832  2.7005  58.843  2.7785  0.9894104      3.874609 
1 1 1 -18 12  17 o 35.371  1.8782  169.884   17.648    176.311   24.843    163.336   25.076    36.062  2.5892  34.680  2.7214  1.382053       3.756317 
1 1 1 -18 12  18 o 48.754  1.8926  321.979   24.616    316.301   34.457    327.899   35.179    48.314  2.6730  49.193  2.6800  -0.8787613     3.785143 
1 1 1 -18 12  19 o 34.585  1.8770  163.154   17.196    174.003   23.997    151.703   24.654    35.804  2.5183  33.367  2.7839  2.436604       3.753941 
1 1 1 -18 12  20 o 46.214  1.9033  290.434   23.426    304.318   32.933    276.213   33.330    47.358  2.6063  45.071  2.7743  2.286152       3.806555 
1 1 1 -18 12  21 o 15.474  2.4669  34.247    10.044    26.890    14.352    41.309    14.061    13.788  3.7754  17.160  3.1762  -3.371911      4.933747 
1 1 1 -18 12  22 o 32.153  1.9638  141.734   16.699    149.951   23.316    133.082   23.928    33.149  2.6482  31.157  2.9005  1.991747       3.927549 
1 1 1 -18 12  23 o 26.547  4.9321  101.781   33.779    101.781   33.779    0.0000    0.0000    26.547  4.9321  ?       ?       ?              ?        
1 1 1 -18 12  24 o 36.798  1.9435  185.727   18.989    192.303   26.518    178.805   27.205    37.497  2.6575  36.098  2.8366  1.399239       3.886942 
1 1 1 -18 12  25 o 26.245  2.1052  95.310    14.514    88.871    20.006    102.464   21.087    25.290  3.0127  27.200  2.9412  -1.910217      4.210324 
1 1 1 -18 12  26 o 15.670  2.6409  35.030    11.497    18.453    15.770    53.837    16.797    11.870  4.0908  19.471  3.3410  -7.601040      5.281792 
1 1 1 -18 12  27 o 11.248  2.4852  12.379    9.8251    -3.5730   13.089    32.972    14.871    7.4560  3.3036  15.041  3.7136  -7.584734      4.970359 
1 1 1 -18 12  28 o 25.727  2.2571  93.731    15.131    95.512    20.515    91.606    22.407    26.079  2.9910  25.374  3.3810  0.7052555      4.514125 
1 1 1 -18 12  29 o 24.191  2.5509  87.167    15.319    112.622   21.339    60.097    22.005    28.338  2.8499  20.044  4.2315  8.293539       5.101766 
1 1 1 -18 12  30 o 22.500  2.4457  73.341    14.253    74.211    19.814    72.408    20.519    22.685  3.3626  22.315  3.5521  0.3708591      4.891330 
1 1 1 -18 12  31 o 11.998  3.0007  18.931    11.576    16.906    14.269    22.829    19.797    11.162  3.8889  12.834  4.5710  -1.671812      6.001467 
1 1 1 -18 12  32 o 9.8117  2.5354  4.5051    10.295    -12.3878  13.891    25.098    15.336    6.6283  3.1069  12.995  4.0075  -6.366842      5.070767 
1 1 1 -18 12  33 o 21.831  2.7634  71.708    15.552    73.021    21.647    70.308    22.357    22.110  3.7919  21.552  4.0208  0.5572491      5.526784 
1 1 1 -18 12  34 o 27.843  2.4092  114.574   17.458    122.492   24.058    105.765   25.374    29.056  3.1412  26.630  3.6537  2.426474       4.818398 
1 1 1 -18 13  1  o 72.710  1.9708  710.060   38.363    731.718   54.053    688.079   54.455    73.831  2.7333  71.589  2.8399  2.242020       3.941563 
1 1 1 -18 13  2  o 137.938 2.9424  2561.90   108.692   2497.32   153.048   2627.62   154.388   136.178 4.1960  139.698 4.1260  -3.520050      5.884743 
1 1 1 -18 13  3  o 201.209 4.0199  5478.54   216.630   5391.81   305.748   5565.96   306.978   199.598 5.7190  202.820 5.6508  -3.222885      8.039769 
1 1 1 -18 13  4  o 80.527  2.1358  871.091   46.056    844.612   64.875    897.993   65.393    79.291  3.0547  81.763  2.9860  -2.472908      4.271664 
1 1 1 -18 13  5  o 169.344 3.4588  3873.19   156.867   3798.16   221.762   3948.33   221.923   167.689 4.9373  170.999 4.8453  -3.309769      6.917681 
1 1 1 -18 13  6  o 30.354  1.8563  124.621   14.941    127.717   21.224    121.580   21.038    30.733  2.6027  29.975  2.6476  0.7582874      3.712650 
1 1 1 -18 13  7  o 63.543  1.9810  542.891   33.676    513.026   47.648    572.700   47.603    61.789  2.8790  65.296  2.7218  -3.506344      3.961947 
1 1 1 -18 13  8  o 40.247  1.8224  218.581   19.530    213.177   27.859    223.802   27.386    39.750  2.6315  40.745  2.5218  -0.9946632     3.644769 
1 1 1 -18 13  9  o 118.866 2.6902  1905.51   85.647    1895.93   121.316   1915.03   120.932   118.565 3.8201  119.168 3.7887  -0.6026993     5.380310 
1 1 1 -18 13  10 o 40.835  1.9017  225.274   20.661    237.513   29.255    213.094   29.184    41.956  2.6163  39.714  2.7607  2.241863       3.803498 
1 1 1 -18 13  11 o 33.158  1.8622  148.878   16.380    140.105   23.132    157.701   23.199    32.161  2.7106  34.155  2.5543  -1.993420      3.724479 
1 1 1 -18 13  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 13  13 o 102.556 2.4708  1421.80   67.865    1445.12   95.934    1398.43   96.017    103.407 3.4636  101.706 3.5246  1.700417       4.941636 
1 1 1 -18 13  14 o 83.729  2.1793  946.630   48.874    935.901   68.991    957.440   69.246    83.250  3.0940  84.208  3.0701  -0.9578552     4.358691 
1 1 1 -18 13  15 o 65.092  1.9837  571.903   34.584    574.646   48.786    569.132   49.033    65.251  2.7914  64.932  2.8193  0.3188629      3.967373 
1 1 1 -18 13  16 o 81.332  2.2110  895.873   48.156    912.456   67.934    879.125   68.272    82.099  3.0893  80.565  3.1638  1.534492       4.421928 
1 1 1 -18 13  17 o 72.601  2.0883  713.737   40.609    710.533   57.138    717.008   57.724    72.439  2.9449  72.764  2.9618  -0.3247223     4.176661 
1 1 1 -18 13  18 o 63.730  2.0196  550.179   34.448    521.578   48.373    579.605   49.067    62.036  2.9112  65.424  2.8000  -3.388870      4.039218 
1 1 1 -18 13  19 o 16.181  2.4172  36.909    10.144    34.402    14.017    39.666    14.698    15.590  3.4484  16.773  3.3883  -1.183168      4.834421 
1 1 1 -18 13  20 o 70.316  2.0903  671.742   39.364    657.609   55.218    686.347   56.133    69.562  2.9636  71.070  2.9488  -1.508873      4.180689 
1 1 1 -18 13  21 o 29.142  2.0382  117.376   15.521    134.749   21.848    99.674    22.053    31.415  2.6204  26.868  3.1226  4.547224       4.076422 
1 1 1 -18 13  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 13  23 o 19.014  2.3686  51.032    11.607    46.699    16.234    55.564    16.602    18.137  3.4682  19.890  3.2268  -1.753593      4.737166 
1 1 1 -18 13  24 o 33.333  1.9973  153.024   17.659    153.020   24.683    153.029   25.274    33.344  2.7893  33.322  2.8594  0.2169418E-01  3.994508 
1 1 1 -18 13  25 f 28.462  2.1127  112.293   15.812    101.024   21.797    124.810   22.972    26.913  3.0792  30.012  2.8935  -3.099581      4.225367 
1 1 1 -18 13  26 o 18.738  2.5230  50.750    12.181    54.958    17.029    46.340    17.432    19.622  3.3609  17.854  3.7638  1.767839       5.045978 
1 1 1 -18 13  27 f 13.999  2.8107  28.688    11.012    27.535    15.056    30.014    16.147    13.716  3.9086  14.282  4.0401  -0.5659647     5.621392 
1 1 1 -18 13  28 o 8.3331  2.4871  1.6775    9.6985    6.3454    12.821    -4.5670   14.829    8.8715  3.5530  7.7947  3.4812  1.076809       4.974194 
1 1 1 -18 13  29 o 24.098  2.3775  83.263    14.895    78.763    20.263    88.552    21.970    23.398  3.3269  24.797  3.3972  -1.398272      4.754907 
1 1 1 -18 13  30 o 4.3560  2.1810  -29.4483  10.785    -29.4483  10.785    0.0000    0.0000    4.3560  2.1810  ?       ?       ?              ?        
1 1 1 -18 13  31 o 11.006  2.5085  12.690    10.555    32.056    14.468    -9.3448   15.433    14.627  3.6925  7.3849  3.3965  7.242080       5.017038 
1 1 1 -18 13  32 o 31.272  2.2998  140.846   18.957    136.624   26.020    145.622   27.675    30.805  3.2003  31.740  3.3037  -0.9355602     4.599647 
1 1 1 -18 13  33 o 19.086  2.8398  56.090    14.050    56.156    19.531    56.018    20.228    19.142  3.9405  19.029  4.0904  0.1130867      5.679682 
1 1 1 -18 13  34 o 28.619  2.4102  121.774   18.091    114.888   24.979    129.372   26.237    27.740  3.4352  29.498  3.3818  -1.757813      4.820498 
1 1 1 -18 14  1  o 68.497  1.9603  631.235   35.878    678.887   50.591    583.020   50.889    71.110  2.6562  65.884  2.8838  5.226395       3.920630 
1 1 1 -18 14  2  o 86.679  2.1874  1009.54   50.780    993.637   71.361    1025.86   72.275    85.987  3.0984  87.371  3.0884  -1.384079      4.374747 
1 1 1 -18 14  3  o 55.995  1.8859  421.072   28.282    423.937   39.781    418.143   40.217    56.189  2.6432  55.801  2.6908  0.3879395      3.771842 
1 1 1 -18 14  4  o 169.102 3.4960  3866.96   158.314   3768.05   223.468   3966.62   224.315   166.913 4.9984  171.291 4.8892  -4.377991      6.992023 
1 1 1 -18 14  5  o 78.110  2.1373  820.263   44.710    803.814   63.097    836.851   63.362    77.321  3.0467  78.899  2.9983  -1.577820      4.274544 
1 1 1 -18 14  6  o 100.011 2.3991  1346.57   64.264    1364.21   90.964    1329.00   90.802    100.668 3.3736  99.354  3.4121  1.313591       4.798254 
1 1 1 -18 14  7  o 37.088  1.8704  185.825   18.454    182.021   26.184    189.579   26.011    36.705  2.6819  37.472  2.6078  -0.7669449     3.740801 
1 1 1 -18 14  8  o 104.468 2.4851  1471.37   69.529    1449.44   98.488    1493.16   98.172    103.685 3.5463  105.250 3.4824  -1.564537      4.970230 
1 1 1 -18 14  9  o 71.285  2.1141  684.225   40.334    719.387   57.321    649.741   56.766    73.107  2.9273  69.463  3.0510  3.643913       4.228175 
1 1 1 -18 14  10 o 84.402  2.2012  960.092   49.762    955.097   70.478    965.058   70.271    84.181  3.1257  84.623  3.1002  -0.4422073     4.402460 
1 1 1 -18 14  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 14  12 o 19.454  2.1703  52.616    10.760    65.258    15.454    40.720    14.991    21.846  2.6985  17.061  3.3998  4.784645       4.340538 
1 1 1 -18 14  13 o 151.125 3.2179  3118.31   130.249   3077.05   184.086   3159.68   184.313   150.106 4.5786  152.144 4.5228  -2.037643      6.435817 
1 1 1 -18 14  14 o 79.109  2.1643  846.518   45.859    852.230   64.809    840.791   64.901    79.380  3.0481  78.839  3.0734  0.5409927      4.328645 
1 1 1 -18 14  15 o 36.553  1.8773  181.398   18.250    185.430   25.802    177.361   25.818    36.967  2.6229  36.138  2.6864  0.8289795      3.754514 
1 1 1 -18 14  16 o 16.336  2.3404  37.795    9.8860    44.989    13.946    30.529    14.016    17.988  3.0003  14.685  3.5929  3.302663       4.680866 
1 1 1 -18 14  17 o 27.706  1.9500  104.897   14.266    99.492    19.966    110.536   20.392    26.960  2.8060  28.451  2.7085  -1.491611      3.899997 
1 1 1 -18 14  18 o 17.800  2.3321  44.576    10.685    38.622    15.016    50.682    15.206    16.521  3.5021  19.079  3.0806  -2.557854      4.664213 
1 1 1 -18 14  19 o 21.712  2.1356  65.382    12.040    59.444    16.957    71.419    17.099    20.664  3.1644  22.759  2.8686  -2.094971      4.271101 
1 1 1 -18 14  20 o 27.063  2.0495  101.057   14.501    115.312   20.634    87.147    20.384    29.025  2.6845  25.101  3.0975  3.924292       4.098974 
1 1 1 -18 14  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 14  22 o 14.583  2.5111  29.888    10.284    15.191    14.144    46.368    14.978    11.031  3.8702  18.134  3.2006  -7.102977      5.022159 
1 1 1 -18 14  23 o 25.315  2.1638  89.668    14.275    97.642    19.864    81.153    20.528    26.568  2.8353  24.063  3.2696  2.504154       4.327693 
1 1 1 -18 14  24 o 28.679  2.1220  113.877   16.004    102.628   21.881    126.817   23.468    27.125  3.0654  30.233  2.9350  -3.107328      4.243994 
1 1 1 -18 14  25 o 27.796  2.1745  108.112   15.911    106.248   22.089    110.122   22.937    27.557  3.0434  28.035  3.1068  -0.4785652     4.349085 
1 1 1 -18 14  26 o 38.888  2.0343  210.528   21.036    210.456   29.480    210.602   30.026    38.895  2.8495  38.881  2.9042  0.1437759E-01  4.068683 
1 1 1 -18 14  27 o 15.026  2.7610  33.993    11.626    44.770    16.065    22.142    16.847    17.495  3.5495  12.558  4.2300  4.937652       5.521948 
1 1 1 -18 14  28 o 27.773  2.2087  109.613   16.138    107.402   22.417    111.992   23.252    27.493  3.0983  28.054  3.1487  -0.5615768     4.417446 
1 1 1 -18 14  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 14  30 o 22.445  2.5449  74.411    14.677    81.493    20.329    66.701    21.211    23.748  3.2838  21.143  3.8887  2.604572       5.089762 
1 1 1 -18 14  31 o 25.200  2.5631  92.990    16.677    79.464    22.718    108.798   24.560    23.081  3.8076  27.318  3.4322  -4.237253      5.126163 
1 1 1 -18 14  32 o 17.714  2.8524  48.305    13.741    27.949    18.800    71.654    20.135    13.494  4.4670  21.935  3.5483  -8.440891      5.704744 
1 1 1 -18 14  33 o 13.522  3.0638  28.975    12.562    29.653    17.455    28.247    18.092    13.668  4.2853  13.376  4.3798  0.2916908      6.127513 
1 1 1 -18 15  1  o 49.842  1.8232  334.236   24.277    347.086   34.308    321.349   34.358    50.841  2.5194  48.843  2.6360  1.997955       3.646334 
1 1 1 -18 15  2  o 16.228  2.2130  36.713    9.2604    40.033    13.009    33.302    13.185    17.014  2.9623  15.442  3.2886  1.571437       4.426086 
1 1 1 -18 15  3  o 58.397  1.9253  458.175   30.110    446.606   42.303    470.055   42.867    57.648  2.7396  59.145  2.7060  -1.496483      3.850677 
1 1 1 -18 15  4  o 56.178  1.9129  424.759   28.707    402.091   40.400    447.877   40.800    54.623  2.7704  57.732  2.6385  -3.109333      3.825783 
1 1 1 -18 15  5  o 41.052  1.8554  227.573   20.278    236.578   28.573    218.436   28.782    41.882  2.5594  40.222  2.6870  1.659168       3.710840 
1 1 1 -18 15  6  o 85.902  2.2396  993.844   51.522    1013.61   72.870    974.085   72.858    86.761  3.1357  85.044  3.1985  1.717720       4.479161 
1 1 1 -18 15  7  o 192.984 3.9204  5080.05   202.640   5043.78   286.761   5116.23   286.393   192.281 5.5679  193.687 5.5204  -1.406372      7.840724 
1 1 1 -18 15  8  o 76.535  2.1624  789.418   44.322    774.593   62.755    804.172   62.606    75.813  3.0904  77.257  3.0254  -1.443993      4.324799 
1 1 1 -18 15  9  o 78.470  2.6729  860.635   52.693    751.289   87.967    921.824   65.805    74.240  4.4443  82.700  2.9708  -8.460190      5.345728 
1 1 1 -18 15  10 o 51.587  4.2910  364.103   58.752    364.103   58.752    0.0000    0.0000    51.587  4.2910  ?       ?       ?              ?        
1 1 1 -18 15  11 o 45.599  1.8867  281.305   22.910    300.274   32.585    262.763   32.216    47.137  2.5908  44.060  2.7435  3.076698       3.773453 
1 1 1 -18 15  12 o 21.192  2.0872  61.848    11.519    60.490    16.428    63.160    16.156    20.947  3.0150  21.437  2.8871  -0.4905586     4.174366 
1 1 1 -18 15  13 o 37.440  1.8860  190.282   18.735    208.524   26.753    172.727   26.244    39.230  2.5601  35.651  2.7701  3.578732       3.771976 
1 1 1 -18 15  14 o 88.468  2.2920  1062.31   54.309    1052.84   76.795    1071.79   76.815    88.068  3.2556  88.867  3.2271  -0.7994614     4.583996 
1 1 1 -18 15  15 o 27.768  1.9433  105.384   14.259    107.543   20.076    103.186   20.255    28.067  2.7040  27.470  2.7916  0.5973263      3.886515 
1 1 1 -18 15  16 o 26.782  1.9638  98.207    13.882    97.830    19.722    98.576    19.543    26.727  2.7963  26.837  2.7579  -0.1106873     3.927505 
1 1 1 -18 15  17 o 23.623  2.0851  77.196    12.838    84.373    18.045    69.838    18.269    24.796  2.7640  22.451  3.1226  2.345001       4.170180 
1 1 1 -18 15  18 o 55.062  1.9825  412.435   29.150    389.250   41.019    436.089   41.433    53.440  2.8763  56.683  2.7290  -3.243378      3.964915 
1 1 1 -18 15  19 o 15.647  2.5465  34.915    10.602    24.908    14.764    45.570    15.234    13.304  3.8943  17.990  3.2823  -4.685854      5.093080 
1 1 1 -18 15  20 o 35.601  2.8274  173.773   26.739    173.773   26.739    0.0000    0.0000    35.601  2.8274  ?       ?       ?              ?        
1 1 1 -18 15  21 o 28.220  2.0428  110.161   15.176    118.150   21.364    102.023   21.562    29.303  2.7543  27.137  3.0176  2.165733       4.085567 
1 1 1 -18 15  22 o 18.041  2.5578  46.659    11.929    48.302    16.996    45.064    16.747    18.370  3.5828  17.711  3.6515  0.6589260      5.115694 
1 1 1 -18 15  23 o 20.413  2.4976  59.527    13.159    59.727    18.441    59.318    18.783    20.464  3.4896  20.363  3.5741  0.1004696      4.995178 
1 1 1 -18 15  24 o 36.184  2.0499  181.771   19.685    172.448   27.524    191.534   28.166    35.209  2.9456  37.160  2.8515  -1.951431      4.099759 
1 1 1 -18 15  25 o 23.752  2.3308  80.817    14.290    90.585    19.989    70.608    20.436    25.370  2.9996  22.135  3.5683  3.235451       4.661591 
1 1 1 -18 15  26 o 10.119  2.6651  10.320    10.304    19.500    14.354    0.5601    14.801    11.794  3.9032  8.4433  3.6300  3.350669       5.330268 
1 1 1 -18 15  27 o 32.040  2.1793  146.452   18.285    163.934   25.513    127.989   26.219    34.181  2.8117  29.900  3.3304  4.280146       4.358580 
1 1 1 -18 15  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 15  29 o 26.090  2.4113  98.576    16.437    94.803    22.791    102.665   23.728    25.562  3.4141  26.619  3.4061  -1.056620      4.822592 
1 1 1 -18 15  30 o 23.198  2.7833  81.409    16.175    51.515    22.171    115.423   23.650    18.093  4.5728  28.304  3.1743  -10.21035      5.566576 
1 1 1 -18 15  31 o 22.398  2.6879  75.823    15.409    61.669    21.432    90.969    22.171    19.957  4.1449  24.839  3.4233  -4.881926      5.375809 
1 1 1 -18 15  32 o 11.623  2.4550  9.2177    11.349    -19.2262  15.264    44.378    16.971    6.3646  3.0598  16.881  3.8400  -10.51634      4.910001 
1 1 1 -18 16  1  o 48.875  1.8260  321.930   23.815    314.883   33.674    328.980   33.683    48.335  2.6107  49.415  2.5536  -1.079819      3.651974 
1 1 1 -18 16  2  o 62.256  1.9344  521.294   32.247    530.371   45.349    512.009   45.864    62.808  2.6956  61.705  2.7750  1.103947       3.868728 
1 1 1 -18 16  3  o 111.882 2.5982  1688.99   77.848    1646.19   109.609   1732.56   110.585   110.445 3.7052  113.319 3.6434  -2.874367      5.196406 
1 1 1 -18 16  4  o 75.680  2.1112  771.042   42.781    743.214   60.153    799.524   60.855    74.293  3.0229  77.067  2.9481  -2.773262      4.222439 
1 1 1 -18 16  5  o 82.135  2.1903  909.060   48.168    876.556   67.874    942.038   68.368    80.649  3.1421  83.622  3.0524  -2.972839      4.380599 
1 1 1 -18 16  6  o 70.405  2.0951  667.866   39.499    648.800   55.682    687.177   56.039    69.389  2.9959  71.421  2.9294  -2.032303      4.190111 
1 1 1 -18 16  7  o 65.718  2.0414  582.092   35.928    569.990   50.852    594.153   50.767    65.031  2.9194  66.404  2.8543  -1.373398      4.082895 
1 1 1 -18 16  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 16  9  o 10.798  2.3522  15.039    7.8975    7.4893    11.142    22.662    11.196    8.8881  3.3820  12.708  3.2701  -3.819874      4.704406 
1 1 1 -18 16  10 o 45.577  1.9381  281.312   23.546    287.766   33.392    274.930   33.206    46.103  2.7161  45.050  2.7653  1.052410       3.876101 
1 1 1 -18 16  11 o 27.207  1.9488  101.145   13.970    94.014    19.809    108.202   19.704    26.221  2.8671  28.192  2.6402  -1.970861      3.897542 
1 1 1 -18 16  12 o 43.610  1.9217  258.031   22.325    267.746   31.718    248.492   31.430    44.434  2.6775  42.785  2.7573  1.649593       3.843383 
1 1 1 -18 16  13 f 31.575  1.9559  135.946   16.371    135.075   23.341    136.790   22.966    31.468  2.7985  31.682  2.7331  -0.2139912     3.911733 
1 1 1 -18 16  14 o 59.674  2.0082  482.696   32.097    482.692   45.531    482.700   45.254    59.671  2.8487  59.676  2.8312  -0.4993439E-02 4.016320 
1 1 1 -18 16  15 o 98.629  2.4759  1328.70   65.407    1338.97   92.586    1318.47   92.413    99.015  3.4910  98.243  3.5119  0.7721710      4.951840 
1 1 1 -18 16  16 o 41.259  1.9374  232.087   21.271    241.362   29.986    222.692   30.179    42.109  2.6725  40.408  2.8058  1.701664       3.874842 
1 1 1 -18 16  17 o 56.815  1.9884  438.792   30.259    439.201   42.732    438.381   42.853    56.843  2.8067  56.787  2.8174  0.5629730E-01  3.976804 
1 1 1 -18 16  18 o 24.968  3.0413  86.277    19.919    0.0000    0.0000    86.277    19.919    ?       ?       24.968  3.0413  ?              ?        
1 1 1 -18 16  19 o 55.910  2.4403  442.664   34.567    474.293   43.714    389.885   56.469    58.987  2.7668  52.834  4.0205  6.152649       4.880561 
1 1 1 -18 16  20 o 12.337  2.6637  21.003    9.8810    14.273    14.034    27.618    13.914    10.805  3.8487  13.869  3.6835  -3.063642      5.327334 
1 1 1 -18 16  21 o 31.235  2.0468  134.986   16.926    132.205   23.925    137.774   23.949    30.900  2.9255  31.571  2.8633  -0.6705475     4.093536 
1 1 1 -18 16  22 o 29.284  2.1167  119.775   16.295    130.259   22.919    109.060   23.171    30.657  2.8228  27.911  3.1549  2.746077       4.233325 
1 1 1 -18 16  23 o 46.735  2.0284  302.815   25.267    305.509   35.674    300.104   35.793    46.954  2.8500  46.515  2.8871  0.4390182      4.056846 
1 1 1 -18 16  24 o 16.527  2.7607  40.313    12.130    49.534    17.508    31.802    16.821    18.411  3.6791  14.643  4.1171  3.767978       5.521377 
1 1 1 -18 16  25 f 11.170  2.5906  13.837    10.247    30.391    14.915    -0.9588   14.101    14.302  3.8209  8.0390  3.4994  6.262821       5.181238 
1 1 1 -18 16  26 f 10.899  2.7478  15.352    10.273    10.876    14.855    19.453    14.221    10.071  3.8868  11.726  3.8852  -1.654860      5.495691 
1 1 1 -18 16  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 16  28 o 13.235  2.9281  25.863    11.682    31.883    16.791    20.216    16.264    14.476  4.1285  11.994  4.1533  2.482036       5.856132 
1 1 1 -18 16  29 o 21.997  2.6946  72.506    15.286    75.128    21.387    69.768    21.855    22.489  3.6777  21.505  3.9395  0.9840183      5.389292 
1 1 1 -18 16  30 o 26.608  2.5043  106.107   17.050    123.273   23.707    87.716    24.538    29.196  3.0779  24.020  3.9513  5.175735       5.008653 
1 1 1 -18 16  31 o 9.2783  2.6450  6.5598    10.757    15.326    14.506    -4.1516   16.035    10.604  3.8942  7.9523  3.5803  2.651865       5.289935 
1 1 1 -18 17  1  o 76.864  2.0760  795.652   42.734    805.079   60.195    786.073   60.679    77.327  2.9063  76.401  2.9652  0.9265594      4.151979 
1 1 1 -18 17  2  o 17.235  2.3046  41.361    10.248    42.923    14.545    39.822    14.440    17.573  3.2084  16.896  3.3093  0.6777916      4.609252 
1 1 1 -18 17  3  f 72.215  2.0778  702.477   40.181    681.369   56.411    724.214   57.247    71.110  2.9617  73.319  2.9151  -2.208633      4.155642 
1 1 1 -18 17  4  o 33.223  1.8817  149.541   16.602    146.253   23.422    152.861   23.536    32.850  2.6854  33.596  2.6367  -0.7455292     3.763474 
1 1 1 -18 17  5  o 66.892  2.0421  603.673   36.511    554.735   51.325    653.808   51.949    64.130  2.9880  69.655  2.7844  -5.524132      4.084235 
1 1 1 -18 17  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 17  7  o 26.830  1.9735  98.204    13.962    102.472   19.721    93.915    19.768    27.433  2.7198  26.227  2.8603  1.205751       3.946960 
1 1 1 -18 17  8  o 95.893  2.4113  1246.67   61.920    1217.79   87.603    1275.49   87.532    94.769  3.4512  97.017  3.3685  -2.247688      4.822556 
1 1 1 -18 17  9  o 59.226  2.0025  474.096   31.766    476.193   45.060    472.025   44.790    59.356  2.8343  59.096  2.8296  0.2594528      4.004975 
1 1 1 -18 17  10 o 43.307  1.9471  255.266   22.360    227.269   31.583    283.402   31.660    40.878  2.9034  45.735  2.5952  -4.857792      3.894203 
1 1 1 -18 17  11 o 55.405  1.9900  416.145   29.474    426.248   41.796    406.152   41.569    56.117  2.7807  54.693  2.8475  1.424248       3.979964 
1 1 1 -18 17  12 o 68.693  2.1190  640.553   38.983    632.106   55.306    648.894   54.955    68.234  3.0261  69.153  2.9670  -0.9183350     4.237952 
1 1 1 -18 17  13 o 84.626  2.3196  975.775   52.572    994.099   74.489    957.590   74.207    85.429  3.2554  83.824  3.3051  1.605103       4.639099 
1 1 1 -18 17  14 o 87.350  2.3198  1040.76   54.269    1062.03   76.971    1019.73   76.526    88.250  3.2563  86.451  3.3048  1.798561       4.639541 
1 1 1 -18 17  15 o 37.508  1.9781  192.292   19.714    185.817   28.060    198.605   27.704    36.863  2.8644  38.153  2.7290  -1.289890      3.956252 
1 1 1 -18 17  16 o 24.843  2.2194  86.776    14.076    67.667    20.016    105.471   19.798    21.951  3.5236  27.735  2.6993  -5.784115      4.438716 
1 1 1 -18 17  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 17  18 o 45.975  2.0223  289.927   24.767    279.676   35.015    300.192   35.038    45.139  2.9116  46.811  2.8074  -1.671970      4.044607 
1 1 1 -18 17  19 o 28.664  2.1351  114.811   15.924    133.471   22.459    95.949    22.580    31.139  2.7200  26.188  3.2918  4.950804       4.270195 
1 1 1 -18 17  20 o 32.349  2.0490  144.890   17.559    139.914   24.717    149.960   24.950    31.770  2.9378  32.929  2.8572  -1.158718      4.098065 
1 1 1 -18 17  21 o 15.045  2.6648  32.701    11.007    21.967    15.203    44.525    15.956    12.517  4.0083  17.573  3.5127  -5.055637      5.329676 
1 1 1 -18 17  22 o 20.487  2.5132  60.620    13.247    53.578    18.661    67.774    18.809    19.173  3.7681  21.800  3.3267  -2.626375      5.026435 
1 1 1 -18 17  23 o 28.808  2.2551  118.551   16.753    94.669    23.658    142.574   23.728    25.666  3.5351  31.950  2.8009  -6.284351      4.510227 
1 1 1 -18 17  24 o 23.651  2.4445  80.816    14.823    97.435    21.430    65.569    20.526    26.177  3.1177  21.124  3.7658  5.052979       4.888953 
1 1 1 -18 17  25 o 26.802  2.2859  103.026   16.007    113.147   22.752    93.106    22.524    28.211  3.0601  25.394  3.3966  2.816492       4.571768 
1 1 1 -18 17  26 o 13.572  4.3110  27.525    17.614    27.525    17.614    0.0000    0.0000    13.572  4.3110  ?       ?       ?              ?        
1 1 1 -18 17  27 o 8.7425  2.5963  3.1936    10.409    7.0780    14.321    -1.1575   15.156    9.2507  3.7373  8.2342  3.6050  1.016483       5.192662 
1 1 1 -18 17  28 o 36.178  2.2654  188.736   21.685    198.794   30.510    178.470   30.826    37.250  3.0858  35.107  3.3175  2.142689       4.530739 
1 1 1 -18 17  29 o 11.379  2.7279  14.650    11.545    -3.2450   16.168    33.264    16.490    8.1518  3.6382  14.606  4.0655  -6.454416      5.455709 
1 1 1 -18 17  30 o 9.0705  2.6285  3.5997    10.907    -7.8212   15.171    15.818    15.692    7.3284  3.3694  10.813  4.0353  -3.484254      5.257063 
1 1 1 -18 18  1  f 39.244  1.8248  208.226   19.074    206.564   26.935    209.898   27.015    39.085  2.5875  39.402  2.5738  -0.3175430     3.649642 
1 1 1 -18 18  2  o 12.165  2.3479  19.819    8.5393    8.2451    11.972    31.805    12.183    9.2550  3.5095  15.076  3.1200  -5.820885      4.695828 
1 1 1 -18 18  3  o 20.860  2.0817  59.849    11.298    56.819    15.853    62.976    16.106    20.302  3.0060  21.418  2.8806  -1.116102      4.163412 
1 1 1 -18 18  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 18  5  o 56.971  1.9747  438.215   30.126    442.242   42.296    434.068   42.921    57.242  2.7586  56.700  2.8261  0.5423508      3.949336 
1 1 1 -18 18  6  o 105.750 2.5635  1519.52   72.607    1496.87   102.521   1542.31   102.842   104.950 3.6471  106.550 3.6035  -1.599281      5.127041 
1 1 1 -18 18  7  o 50.495  1.9748  345.710   26.600    337.301   37.533    354.195   37.702    49.870  2.8214  51.120  2.7638  -1.250095      3.949561 
1 1 1 -18 18  8  o 42.696  1.9490  247.529   22.167    242.643   31.208    252.504   31.491    42.266  2.7720  43.126  2.7404  -0.8603745     3.897980 
1 1 1 -18 18  9  o 14.205  2.3924  28.658    9.4958    14.081    13.400    43.361    13.458    10.753  3.7673  17.656  2.9498  -6.903240      4.784771 
1 1 1 -18 18  10 o 10.818  2.4569  15.316    8.2253    10.904    11.587    19.799    11.679    9.7110  3.4929  11.924  3.4560  -2.213124      4.913743 
1 1 1 -18 18  11 o 66.580  2.0906  602.178   37.280    595.763   52.855    608.528   52.590    66.220  2.9799  66.940  2.9331  -0.7205124     4.181283 
1 1 1 -18 18  12 o 41.844  1.9735  238.655   21.991    241.279   31.169    236.055   31.032    42.076  2.7814  41.611  2.8006  0.4648323      3.947031 
1 1 1 -18 18  13 o 35.793  1.9742  175.094   18.729    190.846   26.741    159.927   26.239    37.409  2.6867  34.177  2.8935  3.231606       3.948477 
1 1 1 -18 18  14 o 55.573  2.0395  421.560   30.251    417.980   42.957    425.083   42.608    55.330  2.9088  55.817  2.8595  -0.4872246     4.078995 
1 1 1 -18 18  15 o 35.474  2.0253  173.030   19.001    156.934   26.954    188.930   26.789    33.776  3.0110  37.171  2.7094  -3.395466      4.050508 
1 1 1 -18 18  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 18  17 o 40.733  2.0071  227.971   21.761    228.826   30.827    227.123   30.723    40.809  2.8378  40.656  2.8391  0.1533089      4.014231 
1 1 1 -18 18  18 o 14.591  2.6852  30.398    10.828    40.372    15.762    21.486    14.900    16.741  3.6206  12.442  3.9665  4.298606       5.370471 
1 1 1 -18 18  19 o 31.705  2.1539  140.758   17.818    165.541   25.308    116.401   25.090    34.621  2.7518  28.789  3.3142  5.832165       4.307705 
1 1 1 -18 18  20 o 18.083  2.6062  47.925    12.217    34.327    17.126    62.014    17.433    15.264  4.1012  20.901  3.2170  -5.636865      5.212399 
1 1 1 -18 18  21 o 12.180  2.7663  20.463    10.344    15.444    14.090    26.329    15.234    10.933  3.8604  13.428  3.9631  -2.494884      5.532521 
1 1 1 -18 18  22 o 33.306  2.1393  156.265   18.857    162.930   26.604    149.536   26.732    34.068  2.9445  32.545  3.1042  1.522884       4.278607 
1 1 1 -18 18  23 o 11.066  2.7714  16.181    10.290    17.408    14.474    14.927    14.633    11.313  3.9180  10.819  3.9206  0.4938736      5.542709 
1 1 1 -18 18  24 o 19.269  2.6855  55.187    13.354    64.706    19.267    46.387    18.525    21.017  3.5491  17.521  4.0313  3.495998       5.370956 
1 1 1 -18 18  25 o 8.5035  3.6669  0.7327    15.194    0.7327    15.194    0.0000    0.0000    8.5035  3.6669  ?       ?       ?              ?        
1 1 1 -18 18  26 o 13.419  2.9588  27.044    11.856    23.257    16.691    30.901    16.843    12.609  4.2105  14.229  4.1580  -1.619996      5.917504 
1 1 1 -18 18  27 f 32.177  2.3429  150.563   19.851    160.230   27.969    140.749   28.180    33.330  3.1712  31.023  3.4497  2.306822       4.685803 
1 1 1 -18 18  28 o 10.550  2.8217  13.907    10.987    11.047    15.550    16.758    15.527    10.030  3.9463  11.070  4.0343  -1.039751      5.643491 
1 1 1 -18 19  1  o 63.632  4.3456  555.071   73.623    0.0000    0.0000    555.071   73.623    ?       ?       63.632  4.3456  ?              ?        
1 1 1 -18 19  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 19  3  o 58.573  1.9543  463.430   30.660    460.173   43.122    466.759   43.601    58.366  2.7583  58.780  2.7694  -0.4141579     3.908668 
1 1 1 -18 19  4  o 64.750  2.0415  567.110   35.405    562.823   49.794    571.494   50.350    64.503  2.8821  64.996  2.8922  -0.4927063     4.083032 
1 1 1 -18 19  5  o 29.583  1.9723  119.411   15.443    120.109   21.782    118.705   21.898    29.674  2.7726  29.493  2.8059  0.1819363      3.944679 
1 1 1 -18 19  6  o 52.700  2.0017  377.300   28.134    390.766   39.710    363.728   39.866    53.662  2.7722  51.738  2.8883  1.923992       4.003423 
1 1 1 -18 19  7  o 62.041  2.0676  522.036   34.357    524.131   48.513    519.929   48.665    62.169  2.9133  61.914  2.9345  0.2553596      4.135116 
1 1 1 -18 19  8  o 51.857  2.0086  365.789   27.793    363.562   39.237    368.031   39.373    51.697  2.8446  52.017  2.8367  -0.3199348     4.017243 
1 1 1 -18 19  9  o 28.790  2.0192  113.622   15.351    119.128   21.755    108.163   21.663    29.507  2.7856  28.073  2.9239  1.434132       4.038378 
1 1 1 -18 19  10 o 30.638  2.0122  128.585   16.320    131.149   23.046    126.005   23.115    30.956  2.8102  30.321  2.8808  0.6347637      4.024397 
1 1 1 -18 19  11 o 39.316  1.9757  211.282   20.638    199.207   29.269    223.220   29.104    38.168  2.8843  40.464  2.7008  -2.296360      3.951411 
1 1 1 -18 19  12 o 25.751  2.1271  91.586    14.389    88.878    20.345    94.296    20.353    25.352  3.0578  26.149  2.9579  -0.7966633     4.254292 
1 1 1 -18 19  13 o 37.032  2.0331  188.709   19.871    165.089   28.098    212.344   28.107    34.635  3.0603  39.428  2.6773  -4.793663      4.066144 
1 1 1 -18 19  14 o 38.419  2.8604  202.519   29.224    0.0000    0.0000    202.519   29.224    ?       ?       38.419  2.8604  ?              ?        
1 1 1 -18 19  15 o 36.632  2.9260  184.781   28.470    184.781   28.470    0.0000    0.0000    36.632  2.9260  ?       ?       ?              ?        
1 1 1 -18 19  16 o 77.569  2.2579  829.603   46.901    809.572   66.351    849.606   66.306    76.605  3.2337  78.533  3.1522  -1.928398      4.515870 
1 1 1 -18 19  17 f 61.877  2.1211  527.593   35.154    524.915   49.731    530.268   49.700    61.715  3.0085  62.039  2.9909  -0.3240852     4.242238 
1 1 1 -18 19  18 o 40.485  2.0863  227.630   22.419    210.586   31.585    244.937   31.828    38.898  3.0561  42.072  2.8410  -3.174053      4.172659 
1 1 1 -18 19  19 o 48.888  2.0888  332.429   27.211    345.124   38.637    319.936   38.328    49.846  2.9065  47.930  3.0006  1.915466       4.177530 
1 1 1 -18 19  20 o 18.772  2.6506  51.968    12.851    64.896    18.380    39.602    17.977    21.266  3.3365  16.278  4.1196  4.988297       5.301236 
1 1 1 -18 19  21 o 15.788  2.8289  37.109    12.066    44.867    17.582    30.203    16.589    17.357  3.8794  14.219  4.1183  3.137603       5.657761 
1 1 1 -18 19  22 o 20.143  2.6651  60.104    13.777    46.630    19.064    74.830    19.931    17.547  4.1256  22.739  3.3749  -5.191254      5.330128 
1 1 1 -18 19  23 o 13.730  4.0835  28.363    16.124    0.0000    0.0000    28.363    16.124    ?       ?       13.730  4.0835  ?              ?        
1 1 1 -18 19  24 o 19.497  2.8449  57.526    14.368    63.806    20.460    51.416    20.182    20.668  3.8371  18.327  4.2012  2.341272       5.689722 
1 1 1 -18 19  25 o 23.763  2.6428  84.028    16.226    79.142    23.206    88.702    22.697    22.966  3.9128  24.560  3.5536  -1.593971      5.285650 
1 1 1 -18 19  26 o 21.779  2.7409  71.820    15.396    68.802    21.747    74.853    21.801    21.254  3.9660  22.305  3.7844  -1.050800      5.481840 
1 1 1 -18 19  27 o 8.8369  2.6368  3.0335    10.839    9.6107    15.926    -2.6423   14.794    9.8296  3.9518  7.8442  3.4921  1.985389       5.273621 
1 1 1 -18 20  1  o 36.213  1.8888  178.282   18.181    173.083   25.857    183.366   25.569    35.677  2.7265  36.749  2.6147  -1.072266      3.777561 
1 1 1 -18 20  2  o 28.458  1.9657  110.791   14.743    120.395   20.873    101.230   20.826    29.727  2.6492  27.188  2.9047  2.538534       3.931358 
1 1 1 -18 20  3  o 58.678  1.9898  466.836   31.183    438.217   43.720    496.471   44.489    56.795  2.8835  60.561  2.7427  -3.765896      3.979522 
1 1 1 -18 20  4  o 53.269  1.9782  385.494   28.122    378.358   39.593    392.760   39.952    52.766  2.8115  53.771  2.7835  -1.005264      3.956319 
1 1 1 -18 20  5  o 61.474  2.0443  512.779   33.650    494.947   47.304    531.045   47.877    60.382  2.9248  62.565  2.8570  -2.182468      4.088607 
1 1 1 -18 20  6  o 33.166  1.9830  150.282   17.424    140.226   24.437    160.680   24.850    32.012  2.8809  34.321  2.7256  -2.308578      3.965943 
1 1 1 -18 20  7  o 46.664  1.9967  296.884   24.806    278.243   34.925    315.861   35.238    45.158  2.9029  48.171  2.7424  -3.013569      3.993444 
1 1 1 -18 20  8  o 11.168  2.5706  16.350    8.9521    12.111    12.630    20.631    12.691    10.159  3.6475  12.176  3.6231  -2.016891      5.141143 
1 1 1 -18 20  9  o 89.179  2.4023  1088.94   57.381    1076.95   81.142    1100.93   81.156    88.677  3.4162  89.681  3.3786  -1.003609      4.804687 
1 1 1 -18 20  10 o 27.086  2.1184  101.298   15.073    93.600    21.240    109.107   21.393    26.006  3.1110  28.166  2.8760  -2.159859      4.236744 
1 1 1 -18 20  11 o 25.951  2.2405  94.097    14.985    112.558   21.323    76.085    21.062    28.611  2.8191  23.292  3.4830  5.319155       4.480915 
1 1 1 -18 20  12 o 37.619  2.0430  194.405   20.420    189.598   28.983    199.143   28.775    37.139  2.9375  38.099  2.8401  -0.9601250     4.085990 
1 1 1 -18 20  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 20  14 o 30.023  2.1514  125.180   17.023    116.436   24.044    133.969   24.104    28.922  3.1549  31.124  2.9258  -2.201450      4.302751 
1 1 1 -18 20  15 o 77.635  2.2947  834.153   47.702    812.144   67.500    856.112   67.422    76.576  3.2909  78.694  3.1987  -2.117348      4.589342 
1 1 1 -18 20  16 o 34.743  2.1788  168.618   19.847    141.082   27.726    197.557   28.423    31.701  3.3143  37.785  2.8290  -6.084064      4.357507 
1 1 1 -18 20  17 o 15.684  2.7462  36.505    11.976    50.781    16.803    21.764    17.075    18.776  3.4689  12.591  4.2584  6.184817       5.492440 
1 1 1 -18 20  18 o 53.460  2.1199  398.772   30.221    413.851   43.004    384.059   42.479    54.490  2.9576  52.430  3.0379  2.059410       4.239810 
1 1 1 -18 20  19 o 46.147  2.1412  299.088   26.301    311.698   37.266    286.574   37.124    47.163  2.9651  45.130  3.0898  2.033138       4.282337 
1 1 1 -18 20  20 o 44.607  2.1544  280.890   25.567    269.817   36.186    291.927   36.128    43.676  3.1136  45.539  2.9783  -1.863098      4.308705 
1 1 1 -18 20  21 o 28.359  2.3667  116.021   17.569    106.889   24.876    125.111   24.816    27.139  3.5039  29.580  3.1823  -2.440716      4.733371 
1 1 1 -18 20  22 o 19.807  6.5034  68.034    39.879    0.0000    0.0000    68.034    39.879    ?       ?       19.807  6.5034  ?              ?        
1 1 1 -18 20  23 o 15.291  2.9983  35.710    12.749    30.683    17.434    41.488    18.691    14.176  4.2530  16.405  4.2273  -2.228964      5.996508 
1 1 1 -18 20  24 o 9.5806  2.7472  7.8376    10.993    8.5462    15.369    7.0953    15.731    9.6613  3.8828  9.4999  3.8875  0.1613770      5.494432 
1 1 1 -18 20  25 o 16.156  3.0068  40.898    13.666    55.353    19.638    27.327    19.029    18.953  3.9943  13.359  4.4955  5.594077       6.013652 
1 1 1 -18 20  26 o 6.5177  2.1777  -13.9680  10.085    -19.1793  14.639    -9.2603   13.914    6.1912  2.9813  6.8442  3.1751  -0.6529698     4.355413 
1 1 1 -18 21  1  o 45.589  1.9107  282.650   23.213    271.309   32.765    294.078   32.891    44.654  2.7529  46.523  2.6505  -1.868622      3.821433 
1 1 1 -18 21  2  o 20.814  2.2049  60.615    11.794    69.446    16.591    51.590    16.771    22.453  2.8209  19.174  3.3894  3.278919       4.409753 
1 1 1 -18 21  3  o 49.225  1.9567  329.860   25.693    331.116   36.152    328.579   36.520    49.326  2.7472  49.125  2.7870  0.2012177      3.913412 
1 1 1 -18 21  4  o 66.203  2.0746  595.982   36.771    571.178   51.585    621.604   52.429    64.789  2.9725  67.616  2.8949  -2.826935      4.149261 
1 1 1 -18 21  5  o 50.396  1.9952  346.271   26.822    346.967   37.752    345.562   38.115    50.453  2.8047  50.340  2.8384  0.1130905      3.990341 
1 1 1 -18 21  6  o 43.259  1.9878  255.620   22.883    241.844   32.279    269.537   32.444    42.061  2.8826  44.457  2.7379  -2.396187      3.975609 
1 1 1 -18 21  7  o 72.880  2.2161  725.633   43.258    730.482   61.060    720.746   61.292    73.132  3.1171  72.628  3.1507  0.5043030      4.432106 
1 1 1 -18 21  8  o 48.618  2.0312  323.300   26.327    330.292   37.153    316.249   37.310    49.161  2.8335  48.075  2.9112  1.086483       4.062496 
1 1 1 -18 21  9  o 75.528  2.2513  781.649   45.535    762.343   64.220    801.170   64.575    74.573  3.2151  76.483  3.1522  -1.909683      4.502591 
1 1 1 -18 21  10 o 81.137  2.3524  905.535   51.121    914.565   72.293    896.504   72.299    81.553  3.3095  80.722  3.3439  0.8312607      4.704727 
1 1 1 -18 21  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 21  12 o 51.406  2.1005  364.106   28.777    347.885   40.593    380.493   40.801    50.221  3.0319  52.590  2.9078  -2.368923      4.200959 
1 1 1 -18 21  13 o 54.692  2.1256  413.183   31.018    411.803   43.832    414.568   43.901    54.599  3.0088  54.786  3.0032  -0.1867371     4.251128 
1 1 1 -18 21  14 o 26.946  2.3284  102.173   16.451    104.031   23.600    100.418   22.944    27.180  3.3101  26.711  3.2755  0.4687462      4.656833 
1 1 1 -18 21  15 o 9.9160  2.7368  9.1322    10.597    12.472    14.843    5.6606    15.134    10.483  3.9222  9.3488  3.8179  1.134377       5.473558 
1 1 1 -18 21  16 o 32.599  2.1934  149.318   18.919    151.691   26.808    146.964   26.703    32.869  3.0810  32.329  3.1226  0.5399742      4.386746 
1 1 1 -18 21  17 o 35.454  2.2177  177.672   20.722    156.883   29.119    199.002   29.494    33.231  3.3157  37.678  2.9460  -4.447502      4.435410 
1 1 1 -18 21  18 o 29.723  2.2723  125.929   17.796    123.873   25.335    127.932   25.002    29.452  3.2665  29.994  3.1597  -0.5420322     4.544638 
1 1 1 -18 21  19 o 29.796  2.3953  128.460   18.635    115.354   26.692    140.921   26.029    28.143  3.6253  31.449  3.1317  -3.305580      4.790623 
1 1 1 -18 21  20 o 32.561  2.3010  152.859   19.615    133.141   27.859    172.246   27.624    30.285  3.4987  34.836  2.9894  -4.551249      4.601935 
1 1 1 -18 21  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 21  22 o 8.8713  2.6302  2.1349    10.938    -6.3892   15.409    10.792    15.529    7.6570  3.4727  10.086  3.9512  -2.428576      5.260365 
1 1 1 -18 21  23 o 15.035  3.1237  35.184    13.781    45.590    19.689    25.190    19.295    17.047  4.3097  13.022  4.5230  4.025578       6.247443 
1 1 1 -18 21  24 o 13.322  3.1153  26.832    13.284    18.204    18.483    36.052    19.107    11.624  4.3713  15.020  4.4399  -3.396599      6.230662 
1 1 1 -18 21  25 o 23.679  2.7226  86.412    16.658    81.388    23.058    91.897    24.093    22.911  3.8969  24.446  3.8031  -1.534855      5.445173 
1 1 1 -18 22  1  o 45.888  1.9502  287.155   23.852    278.230   33.608    296.214   33.858    45.157  2.7923  46.619  2.7234  -1.462334      3.900466 
1 1 1 -18 22  2  o 45.816  1.9434  286.560   23.710    301.122   33.461    271.878   33.600    47.013  2.6683  44.618  2.8261  2.395367       3.886718 
1 1 1 -18 22  3  o 43.043  1.9626  253.037   22.503    254.988   31.681    251.051   31.969    43.218  2.7511  42.867  2.7996  0.3506889      3.925131 
1 1 1 -18 22  4  o 52.983  2.0200  383.676   28.510    356.211   40.115    411.708   40.528    51.027  2.9476  54.939  2.7629  -3.911564      4.040051 
1 1 1 -18 22  5  o 21.877  2.2866  67.005    12.922    58.919    18.154    75.311    18.398    20.455  3.4351  23.300  3.0191  -2.844822      4.573287 
1 1 1 -18 22  6  o 71.276  2.1924  695.324   41.854    687.077   58.913    703.728   59.470    70.847  3.1046  71.705  3.0964  -0.8573608     4.384770 
1 1 1 -18 22  7  o 22.990  2.3083  74.021    13.775    68.093    19.447    79.991    19.515    22.005  3.4097  23.974  3.1125  -1.969059      4.616632 
1 1 1 -18 22  8  o 54.080  2.1057  401.790   30.378    407.997   42.860    395.525   43.064    54.515  2.9462  53.645  3.0092  0.8703957      4.211327 
1 1 1 -18 22  9  o 62.246  4.8881  555.775   80.842    0.0000    0.0000    555.775   80.842    ?       ?       62.246  4.8881  ?              ?        
1 1 1 -18 22  10 o 55.766  2.9881  428.696   44.470    428.696   44.470    0.0000    0.0000    55.766  2.9881  ?       ?       ?              ?        
1 1 1 -18 22  11 o 38.107  2.1039  201.299   21.267    187.976   29.981    214.793   30.172    36.789  3.0706  39.425  2.8771  -2.635536      4.207892 
1 1 1 -18 22  12 o 17.273  2.7690  44.200    12.744    29.855    18.092    58.325    17.954    14.344  4.3391  20.202  3.4414  -5.857519      5.538086 
1 1 1 -18 22  13 o 27.802  2.3083  109.257   16.812    101.700   23.885    116.677   23.668    26.774  3.4078  28.829  3.1146  -2.055141      4.616652 
1 1 1 -18 22  14 o 19.834  2.6716  58.216    13.579    41.696    19.122    75.021    19.287    16.698  4.2613  22.970  3.2235  -6.272404      5.343204 
1 1 1 -18 22  15 o 32.366  2.2313  148.084   19.089    152.786   27.023    143.400   26.970    32.911  3.1021  31.821  3.2080  1.090082       4.462534 
1 1 1 -18 22  16 o 11.666  2.6708  16.572    10.847    1.0046    15.273    32.418    15.409    8.6041  3.6929  14.729  3.8593  -6.124637      5.341529 
1 1 1 -18 22  17 o 17.669  2.8055  47.220    13.457    26.293    18.628    70.064    19.462    13.386  4.4472  21.953  3.4214  -8.566948      5.611053 
1 1 1 -18 22  18 o 40.578  2.2142  234.539   23.876    239.582   33.878    229.564   33.654    41.033  3.1054  40.123  3.1570  0.9104233      4.428358 
1 1 1 -18 22  19 o 26.217  3.5346  100.553   24.188    0.0000    0.0000    100.553   24.188    ?       ?       26.217  3.5346  ?              ?        
1 1 1 -18 22  20 o 12.733  4.3688  23.623    17.975    23.623    17.975    0.0000    0.0000    12.733  4.3688  ?       ?       ?              ?        
1 1 1 -18 22  21 o 12.823  3.0509  24.343    12.488    20.315    17.721    28.316    17.601    12.042  4.3210  13.604  4.3082  -1.562152      6.101758 
1 1 1 -18 22  22 o 6.1747  2.0604  -17.5621  9.3927    -3.4050   13.136    -32.3729  13.436    7.3247  3.2735  5.0246  2.5031  2.300130       4.120809 
1 1 1 -18 22  23 o 8.6003  2.6284  1.6513    11.113    3.5560    15.632    -0.2946   15.801    8.8357  3.7626  8.3649  3.6710  0.4708920      5.256796 
1 1 1 -18 23  1  o 28.769  2.1871  117.018   15.833    81.355    22.335    153.040   22.447    24.064  3.5737  33.474  2.5221  -9.409857      4.374114 
1 1 1 -18 23  2  o 27.779  2.0918  107.241   15.138    90.453    21.433    123.953   21.384    25.499  3.2091  30.059  2.6842  -4.559277      4.183678 
1 1 1 -18 23  3  o 44.773  2.0089  274.778   23.961    279.397   33.702    270.057   34.072    45.170  2.7994  44.377  2.8821  0.7933846      4.017828 
1 1 1 -18 23  4  o 38.619  2.0187  204.906   20.727    209.158   29.185    200.578   29.442    39.041  2.8098  38.198  2.8993  0.8429146      4.037440 
1 1 1 -18 23  5  o 38.670  2.0265  205.558   20.832    197.582   29.204    213.821   29.725    37.891  2.8995  39.450  2.8319  -1.558426      4.053052 
1 1 1 -18 23  6  o 23.225  2.3489  75.755    14.188    79.160    20.286    72.494    19.851    23.760  3.2746  22.690  3.3685  1.069590       4.697882 
1 1 1 -18 23  7  o 30.561  5.2622  138.136   41.520    0.0000    0.0000    138.136   41.520    ?       ?       30.561  5.2622  ?              ?        
1 1 1 -18 23  8  o 26.141  3.2935  95.970    22.549    95.970    22.549    0.0000    0.0000    26.141  3.2935  ?       ?       ?              ?        
1 1 1 -18 23  9  o 10.520  2.7223  12.881    10.109    9.3930    14.457    16.218    14.140    9.8686  3.8272  11.172  3.8724  -1.303171      5.444517 
1 1 1 -18 23  10 o 17.309  2.8190  44.037    12.813    47.451    18.091    40.600    18.151    18.026  3.8632  16.591  4.1065  1.435181       5.638033 
1 1 1 -18 23  11 o 20.522  2.6821  61.133    14.191    57.260    19.676    65.332    20.486    19.809  3.8472  21.236  3.7381  -1.427549      5.364183 
1 1 1 -18 23  12 o 22.436  2.6831  75.315    14.997    105.204   21.355    46.231    21.066    27.367  2.9605  17.504  4.4756  9.862722       5.366155 
1 1 1 -18 23  13 o 13.687  2.8835  27.522    11.535    21.520    16.316    33.518    16.309    12.384  4.1628  14.989  3.9912  -2.604679      5.767056 
1 1 1 -18 23  14 o 17.608  2.9123  46.742    13.735    33.080    19.070    61.466    19.798    14.794  4.4501  20.421  3.7580  -5.626692      5.824629 
1 1 1 -18 23  15 o 26.049  2.5099  98.789    17.024    104.801   24.089    92.791    24.062    26.926  3.4171  25.173  3.6772  1.752907       5.019799 
1 1 1 -18 23  16 o 16.558  3.0520  42.070    13.748    35.637    18.992    49.153    19.928    15.208  4.4071  17.907  4.2233  -2.698912      6.103938 
1 1 1 -18 23  17 o 36.509  2.2772  191.456   22.008    180.925   31.090    202.033   31.159    35.424  3.3153  37.594  3.1226  -2.170528      4.554360 
1 1 1 -18 23  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 23  19 o 7.8804  2.4591  -5.3788   10.662    -16.1241  14.947    5.7519    15.213    6.5810  3.1262  9.1797  3.7968  -2.598740      4.918185 
1 1 1 -18 23  20 o 8.8605  2.6923  2.1223    11.508    2.9112    16.433    1.3630    16.122    8.9983  3.8454  8.7226  3.7693  0.2756033      5.384689 
1 1 1 -18 23  21 o 19.385  3.0532  59.614    15.458    63.832    21.968    55.477    21.754    20.159  4.2046  18.610  4.4283  1.548857       6.106425 
1 1 1 -18 23  22 o 12.777  2.7731  21.387    12.578    -1.5300   17.489    45.939    18.103    8.5568  3.8038  16.997  4.0363  -8.440607      5.546214 
1 1 1 -18 24  1  o 73.325  2.1878  738.570   42.967    728.249   60.521    749.057   61.009    72.803  3.1036  73.848  3.0844  -1.044334      4.375608 
1 1 1 -18 24  2  o 14.939  2.7578  32.095    11.359    23.707    15.853    40.943    16.283    13.018  4.0843  16.859  3.7068  -3.840766      5.515634 
1 1 1 -18 24  3  f 39.229  2.0416  212.100   21.293    204.226   29.910    220.192   30.320    38.473  2.9244  39.985  2.8496  -1.512501      4.083163 
1 1 1 -18 24  4  o 19.738  2.5956  55.858    13.215    55.528    18.861    56.175    18.520    19.664  3.7171  19.812  3.6237  -0.1472893     5.191122 
1 1 1 -18 24  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 24  6  o 10.112  2.7903  9.8357    10.518    10.918    12.836    7.6233    18.350    9.8417  3.6543  10.382  4.2177  -0.5397625     5.580603 
1 1 1 -18 24  7  o 8.7561  2.5447  3.1255    9.9355    9.6558    13.576    -4.4068   14.580    9.7196  3.7247  7.7926  3.4681  1.927061       5.089326 
1 1 1 -18 24  8  o 14.550  2.8623  30.945    11.621    26.384    16.098    35.910    16.795    13.497  4.0951  15.602  4.0000  -2.104333      5.724526 
1 1 1 -18 24  9  o 10.327  2.7221  9.6551    10.923    -1.9620   15.402    21.410    15.493    8.3013  3.6342  12.353  4.0535  -4.051986      5.444152 
1 1 1 -18 24  10 o 9.3527  2.6031  5.9648    10.037    -2.3350   13.864    15.107    14.550    7.8052  3.4317  10.900  3.9149  -3.094975      5.206108 
1 1 1 -18 24  11 o 49.579  2.1840  345.988   28.843    334.326   40.789    357.651   40.792    48.697  3.1440  50.460  3.0322  -1.763317      4.367927 
1 1 1 -18 24  12 o 50.076  2.2200  355.015   29.600    369.563   41.785    340.361   41.937    51.174  3.0626  48.978  3.2146  2.196098       4.439929 
1 1 1 -18 24  13 o 7.8171  2.3447  -4.7136   9.5202    10.577    13.713    -18.9402  13.227    9.7797  3.7445  5.8545  2.8228  3.925147       4.689326 
1 1 1 -18 24  14 o 26.880  2.5601  106.749   17.513    82.756    24.592    131.438   24.946    23.456  4.0614  30.304  3.1179  -6.847912      5.120215 
1 1 1 -18 24  15 o 8.8814  2.5959  1.2032    10.952    13.833    15.248    -12.2566  15.741    10.598  3.9734  7.1645  3.3416  3.433810       5.191708 
1 1 1 -18 24  16 o 32.731  3.3594  155.442   29.034    0.0000    0.0000    155.442   29.034    ?       ?       32.731  3.3594  ?              ?        
1 1 1 -18 24  17 o 9.7405  2.7763  3.2842    12.925    19.723    16.654    -21.6169  20.497    11.844  4.1953  7.6370  3.6372  4.206920       5.552509 
1 1 1 -18 24  18 o 31.230  2.4928  143.984   20.371    159.066   28.899    129.088   28.720    33.036  3.3104  29.423  3.7279  3.613665       4.985605 
1 1 1 -18 24  19 o 11.821  2.9147  17.439    12.656    1.2334    17.876    33.723    17.920    9.0519  3.9402  14.591  4.2961  -5.538922      5.829360 
1 1 1 -18 24  20 o 18.385  3.0466  54.882    15.124    37.443    21.242    72.809    21.537    15.050  4.7288  21.720  3.8427  -6.669605      6.093255 
1 1 1 -18 25  1  o 36.056  2.0771  180.170   19.880    183.237   27.989    177.047   28.242    36.384  2.8960  35.728  2.9784  0.6565323      4.154225 
1 1 1 -18 25  2  o 28.695  5.1895  123.159   38.418    0.0000    0.0000    123.159   38.418    ?       ?       28.695  5.1895  ?              ?        
1 1 1 -18 25  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 25  4  o 21.188  2.5703  64.708    14.015    72.701    19.991    56.982    19.652    22.588  3.4104  19.788  3.8465  2.800583       5.140625 
1 1 1 -18 25  5  f 23.026  2.4687  75.857    14.744    78.402    21.027    73.395    20.680    23.427  3.4546  22.624  3.5277  0.8030376      4.937465 
1 1 1 -18 25  6  o 14.683  2.8452  31.858    11.926    21.224    17.016    42.126    16.721    12.439  4.2508  16.927  3.7831  -4.488587      5.690427 
1 1 1 -18 25  7  o 22.155  2.5710  71.134    14.722    68.533    20.668    73.814    20.976    21.713  3.6856  22.596  3.5855  -0.8832531     5.141910 
1 1 1 -18 25  8  o 10.459  2.4749  7.2278    10.125    -11.7325  13.679    30.200    15.057    6.6588  3.1089  14.259  3.8516  -7.600290      4.949723 
1 1 1 -18 25  9  o 15.237  2.7210  33.888    12.195    13.957    16.894    55.571    17.621    10.966  4.1664  19.508  3.5010  -8.541859      5.442070 
1 1 1 -18 25  10 o 43.607  2.2170  269.998   25.704    258.460   36.251    281.664   36.451    42.615  3.1992  44.598  3.0702  -1.982758      4.434076 
1 1 1 -18 25  11 o 13.794  2.6385  24.627    12.119    0.2282    16.581    52.610    17.758    8.7706  3.8063  18.818  3.6549  -10.04704      5.276940 
1 1 1 -18 25  12 o 13.424  2.9074  26.013    12.321    40.286    17.574    12.214    17.279    16.219  4.0558  10.628  4.1667  5.591357       5.814733 
1 1 1 -18 25  13 o 10.069  2.7069  7.3630    11.417    23.046    16.060    -8.6604   16.234    12.499  4.1282  7.6388  3.5023  4.860383       5.413703 
1 1 1 -18 25  14 o 9.0630  2.6698  2.7425    11.294    12.385    15.793    -7.3488   16.157    10.384  4.0076  7.7422  3.5285  2.641538       5.339560 
1 1 1 -18 25  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 25  16 o 31.987  2.5469  151.353   21.349    167.401   30.641    136.213   29.762    33.782  3.4341  30.191  3.7621  3.591246       5.093717 
1 1 1 -18 25  17 f 15.585  2.9840  36.292    14.743    10.161    20.340    65.216    21.400    10.647  4.3958  20.524  4.0367  -9.876679      5.968092 
1 1 1 -18 25  18 o 11.923  2.9667  18.616    12.727    4.9884    17.586    33.601    18.442    9.4087  3.9984  14.438  4.3837  -5.028975      5.933332 
1 1 1 -18 25  19 o 19.118  3.0306  60.418    15.883    33.114    22.100    89.581    22.841    14.083  4.8435  24.153  3.6440  -10.07027      6.061153 
1 1 1 -18 26  1  o 15.878  2.5772  35.224    11.995    10.280    16.218    65.353    17.824    10.318  4.0390  21.438  3.2021  -11.12084      5.154310 
1 1 1 -18 26  2  o 41.740  2.1010  243.427   23.300    257.882   32.960    228.987   32.942    43.039  2.8757  40.442  3.0638  2.596870       4.201979 
1 1 1 -18 26  3  o 20.014  2.7257  59.511    14.003    79.539    20.068    40.503    19.550    23.624  3.2582  16.404  4.3707  7.220278       5.451484 
1 1 1 -18 26  4  o 48.021  2.1539  323.363   27.547    309.746   38.556    337.561   39.371    46.960  3.0824  49.083  3.0093  -2.123280      4.307798 
1 1 1 -18 26  5  o 23.416  2.5935  79.959    15.682    72.836    22.154    87.112    22.202    22.255  3.8563  24.578  3.4690  -2.322874      5.186992 
1 1 1 -18 26  6  o 21.614  2.6330  68.665    14.644    77.377    20.963    60.363    20.464    23.088  3.4995  20.139  3.9349  2.949472       5.265915 
1 1 1 -18 26  7  o 27.335  2.3761  107.663   17.002    100.491   23.763    115.185   24.335    26.340  3.4512  28.329  3.2669  -1.989508      4.752233 
1 1 1 -18 26  8  o 9.3051  2.4091  -1.9836   10.289    25.149    14.960    -26.3387  14.173    12.983  3.9497  5.6275  2.7596  7.355265       4.818237 
1 1 1 -18 26  9  o 37.551  2.2865  202.500   22.754    192.488   31.879    212.899   32.489    36.555  3.2912  38.548  3.1749  -1.992931      4.572939 
1 1 1 -18 26  10 o 22.271  2.7065  74.354    15.559    76.309    21.944    72.378    22.063    22.615  3.7544  21.928  3.8995  0.6873188      5.413051 
1 1 1 -18 26  11 o 17.014  2.9718  44.298    14.149    25.527    19.325    65.986    20.772    13.115  4.5281  20.913  3.8501  -7.797945      5.943630 
1 1 1 -18 26  12 o 46.556  2.3380  314.375   28.806    279.023   40.529    350.467   40.951    43.696  3.4920  49.416  3.1098  -5.720261      4.675951 
1 1 1 -18 26  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 26  14 o 10.810  2.9620  13.833    12.303    16.831    17.236    10.719    17.567    11.293  4.2264  10.328  4.1510  0.9656897      5.923919 
1 1 1 -18 26  15 o 24.379  2.9171  92.495    18.227    105.643   25.669    79.121    25.887    26.465  3.7241  22.292  4.4908  4.172956       5.834110 
1 1 1 -18 26  16 o 13.618  3.0908  28.308    13.849    12.804    19.630    43.674    19.542    10.820  4.3742  16.415  4.3680  -5.594887      6.181670 
1 1 1 -18 26  17 o 22.334  3.0800  80.772    17.758    80.727    24.812    80.818    25.426    22.380  4.2953  22.287  4.4154  0.9349251E-01  6.159986 
1 1 1 -18 27  1  o 36.753  2.1886  191.084   21.321    199.144   30.019    182.881   30.286    37.594  3.0064  35.912  3.1815  1.682461       4.377261 
1 1 1 -18 27  2  o 24.538  2.5023  87.500    15.947    89.871    22.216    84.979    22.906    24.950  3.4139  24.125  3.6596  0.8247395      5.004684 
1 1 1 -18 27  3  o 16.348  2.9181  40.656    12.916    32.756    18.189    48.689    18.343    14.683  4.3297  18.014  3.9135  -3.331509      5.836227 
1 1 1 -18 27  4  o 14.968  2.9357  33.984    12.568    44.655    17.842    23.474    17.708    17.183  3.9582  12.752  4.3365  4.431452       5.871305 
1 1 1 -18 27  5  o 28.638  2.3746  118.641   17.780    105.561   24.705    132.694   25.608    26.885  3.5149  30.391  3.1938  -3.505531      4.749177 
1 1 1 -18 27  6  o 22.656  2.6599  76.539    15.566    77.626    21.738    75.397    22.299    22.877  3.6718  22.436  3.8493  0.4409370      5.319705 
1 1 1 -18 27  7  o 28.380  2.4108  117.830   17.882    107.727   25.323    127.879   25.255    27.030  3.5861  29.730  3.2230  -2.699888      4.821638 
1 1 1 -18 27  8  o 19.119  2.9665  56.464    14.900    72.702    21.700    41.982    20.494    21.967  3.8272  16.271  4.5336  5.696459       5.933022 
1 1 1 -18 27  9  o 16.268  3.0548  41.610    13.841    30.832    19.438    52.695    19.714    14.076  4.5349  18.460  4.0943  -4.383984      6.109669 
1 1 1 -18 27  10 o 18.245  2.9252  52.058    14.933    24.405    20.631    82.488    21.641    12.924  4.6595  23.565  3.5379  -10.64115      5.850456 
1 1 1 -18 27  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 27  12 o 10.799  2.9170  12.644    12.576    23.780    17.308    0.1896    18.304    12.570  4.2872  9.0275  3.9567  3.542115       5.834055 
1 1 1 -18 27  13 o 13.977  3.2726  31.188    14.438    36.036    19.815    25.702    21.079    14.924  4.5469  13.030  4.7080  1.893703       6.545230 
1 1 1 -18 27  14 o 9.7517  2.8871  7.2250    12.675    8.7145    17.797    5.6919    18.055    9.9364  4.1079  9.5669  4.0579  0.3695087      5.774176 
1 1 1 -18 27  15 o 8.5046  2.6158  -1.7656   11.812    10.263    16.445    -14.5863  16.977    9.8723  3.9992  7.1369  3.3729  2.735347       5.231578 
1 1 1 -18 28  1  o 10.118  2.3976  6.5068    10.190    29.083    14.038    -18.6310  14.813    13.884  3.7057  6.3520  3.0433  7.532336       4.795253 
1 1 1 -18 28  2  o 29.137  2.3842  123.857   18.185    132.717   25.465    114.637   25.978    30.338  3.1812  27.936  3.5521  2.401632       4.768376 
1 1 1 -18 28  3  o 28.534  2.4370  119.232   18.211    110.960   25.531    127.799   25.983    27.439  3.5575  29.630  3.3318  -2.190632      4.874098 
1 1 1 -18 28  4  o 23.919  2.6707  86.028    16.463    94.862    23.234    77.121    23.330    25.340  3.5181  22.498  4.0190  2.841709       5.341313 
1 1 1 -18 28  5  o 17.385  3.0517  47.768    14.250    55.027    20.022    40.318    20.285    18.866  4.0809  15.904  4.5384  2.962047       6.103317 
1 1 1 -18 28  6  o 20.468  3.0194  65.982    16.007    74.149    22.146    57.047    23.164    22.084  3.8857  18.852  4.6227  3.231998       6.038879 
1 1 1 -18 28  7  o 13.367  3.0957  27.003    12.977    20.138    17.841    34.716    18.909    11.937  4.3285  14.798  4.4269  -2.860807      6.191399 
1 1 1 -18 28  8  o 15.995  3.1095  41.096    14.430    55.253    20.077    25.970    20.754    18.842  4.0951  13.148  4.6805  5.694852       6.219070 
1 1 1 -18 28  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 28  10 o 22.610  3.0346  81.241    17.611    94.754    24.615    67.071    25.206    24.958  3.8022  20.261  4.7306  4.697626       6.069248 
1 1 1 -18 28  11 o 14.766  2.9295  32.684    14.153    7.2128    19.817    59.201    20.220    10.097  4.2651  19.435  4.0170  -9.338547      5.858965 
1 1 1 -18 28  12 o 10.596  2.9733  11.586    12.850    3.4258    17.287    21.660    19.209    9.0949  3.9167  12.097  4.4745  -3.002464      5.946574 
1 1 1 -18 28  13 o 17.765  3.2768  53.762    15.993    64.224    22.584    43.237    22.652    19.744  4.3846  15.786  4.8707  3.958456       6.553567 
1 1 1 -18 29  1  o 10.397  2.8203  12.756    11.285    17.850    14.907    5.9179    17.272    11.238  3.9704  9.5566  4.0064  1.681641       5.640555 
1 1 1 -18 29  2  o 17.009  3.1019  46.718    14.639    59.275    20.373    33.314    21.049    19.567  4.0216  14.451  4.7239  5.115932       6.203886 
1 1 1 -18 29  3  o 15.445  3.2395  38.469    14.433    34.192    20.365    42.784    20.458    14.606  4.6351  16.283  4.5269  -1.677240      6.479004 
1 1 1 -18 29  4  o 33.711  2.3839  168.056   21.042    188.453   29.608    147.242   29.909    36.034  3.0978  31.388  3.6242  4.646662       4.767741 
1 1 1 -18 29  5  o 14.362  2.8923  30.552    13.836    55.203    19.381    4.9306    19.758    18.865  3.9616  9.8596  4.2152  9.005094       5.784661 
1 1 1 -18 29  6  o 21.550  4.3060  73.304    23.986    0.0000    0.0000    73.304    23.986    ?       ?       21.550  4.3060  ?              ?        
1 1 1 -18 29  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 29  8  o 24.103  2.9126  90.994    18.079    100.031   25.735    82.188    25.404    25.487  3.8932  22.718  4.3330  2.768806       5.825157 
1 1 1 -18 29  9  f 21.882  3.1199  79.712    17.689    106.115   24.729    52.042    25.315    26.441  3.5840  17.322  5.1078  9.118839       6.239774 
1 1 1 -18 29  10 o 10.178  2.9605  10.331    12.991    8.5107    18.071    12.278    18.689    9.8652  4.1139  10.491  4.2585  -0.6252975     5.921088 
1 1 1 -18 29  11 o 19.597  3.1146  66.816    17.029    98.659    23.864    33.776    24.308    25.210  3.6396  13.984  5.0553  11.22547       6.229201 
1 1 1 -18 30  1  o 13.865  3.1381  30.596    13.134    28.942    17.732    32.607    19.548    13.515  4.3290  14.214  4.5444  -0.6988878     6.276286 
1 1 1 -18 30  2  o 8.5936  2.6093  1.1869    11.229    8.7125    14.690    -9.3915   17.417    9.4240  3.7930  7.7633  3.5841  1.660694       5.218509 
1 1 1 -18 30  3  o 17.422  3.0869  50.644    15.362    70.666    21.098    28.056    22.410    21.428  3.8159  13.416  4.8533  8.011935       6.173780 
1 1 1 -18 30  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 30  5  o 18.860  3.2257  58.703    16.339    45.688    22.806    72.428    23.419    16.427  4.8492  21.293  4.2551  -4.865564      6.451465 
1 1 1 -18 30  6  o 11.667  3.1258  17.859    13.576    10.213    18.034    27.860    20.625    10.136  4.1568  13.199  4.6695  -3.062757      6.251606 
1 1 1 -18 30  7  o 15.775  3.3787  41.973    15.713    32.445    21.296    53.357    23.278    13.924  4.7555  17.626  4.8007  -3.701668      6.757327 
1 1 1 -18 30  8  o 13.004  3.2347  27.822    14.195    32.751    19.280    21.987    20.976    13.935  4.5193  12.073  4.6291  1.861879       6.469357 
1 1 1 -18 30  9  o 10.349  2.9519  11.784    13.107    21.137    18.373    2.0921    18.703    11.678  4.3648  9.0203  3.9752  2.657315       5.903725 
1 1 1 -18 31  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -18 31  2  o 14.512  4.4543  34.901    18.972    34.901    18.972    0.0000    0.0000    14.512  4.4543  ?       ?       ?              ?        
1 1 1 -18 31  3  o 10.279  2.9874  6.4117    13.913    -7.0891   18.620    23.479    20.935    8.1677  3.7470  12.390  4.6537  -4.222190      5.974720 
1 1 1 -18 31  4  o 23.589  3.1691  93.799    19.061    108.084   25.879    76.863    28.179    26.294  3.7835  20.885  5.0850  5.409763       6.338147 
1 1 1 -18 31  5  o 14.745  3.2951  37.764    14.730    43.201    20.563    32.033    21.110    15.813  4.5867  13.678  4.7320  2.134741       6.590138 
1 1 1 -18 31  6  o 9.8018  2.9056  5.4778    13.201    -5.5078   17.324    20.689    20.385    7.9211  3.6267  11.683  4.5407  -3.761471      5.811284 
1 1 1 -18 32  1  f 9.1493  2.8099  4.0973    12.760    6.5902    16.634    0.5328    19.891    9.2245  3.9028  9.0742  4.0437  0.1503048      5.619855 
1 1 1 -18 32  2  o 9.6810  2.7853  5.4894    12.317    -9.1479   16.711    22.902    18.226    7.4294  3.4577  11.933  4.3676  -4.503125      5.570652 
1 1 1 -18 32  3  o 12.284  3.2682  24.583    14.557    20.086    19.382    30.402    22.049    11.431  4.4318  13.137  4.8045  -1.706218      6.536397 
1 1 1 -17 -28 8  o 17.528  3.3044  49.745    16.199    35.503    25.230    59.734    21.130    15.203  5.1762  19.853  4.1090  -4.649664      6.608808 
1 1 1 -17 -28 9  o 21.092  3.1365  66.866    17.066    80.969    26.162    56.420    22.515    23.060  4.3962  19.125  4.4747  3.934967       6.272923 
1 1 1 -17 -28 10 o 20.774  3.1869  65.603    17.126    72.429    25.973    60.352    22.780    21.684  4.6136  19.864  4.3977  1.820339       6.373804 
1 1 1 -17 -28 11 o 45.739  2.3436  298.794   28.448    284.790   40.896    311.923   39.599    44.578  3.4520  46.900  3.1709  -2.322052      4.687291 
1 1 1 -17 -28 12 o 20.466  3.1440  61.606    16.617    81.423    26.224    48.309    21.480    23.210  4.3787  17.723  4.5129  5.487404       6.288079 
1 1 1 -17 -28 13 o 24.411  3.0291  88.565    18.680    127.094   27.942    57.432    25.118    29.638  3.5934  19.183  4.8775  10.45427       6.058248 
1 1 1 -17 -28 14 o 18.363  3.0955  46.529    16.965    92.956    26.281    13.359    22.214    25.046  4.0562  11.680  4.6772  13.36672       6.191031 
1 1 1 -17 -28 15 o 26.552  2.8397  103.418   19.504    113.359   28.959    95.165    26.385    27.732  4.0156  25.373  4.0162  2.358856       5.679327 
1 1 1 -17 -28 16 o 35.204  2.5584  178.615   23.498    211.635   34.032    148.528   32.486    38.525  3.3307  31.883  3.8843  6.642303       5.116786 
1 1 1 -17 -28 17 o 37.580  2.5661  203.940   25.297    233.738   36.239    175.620   35.328    40.459  3.3748  34.702  3.8666  5.757332       5.132275 
1 1 1 -17 -28 18 o 19.826  3.4304  60.479    17.910    67.572    27.615    55.330    23.529    20.743  5.0237  18.909  4.6726  1.833475       6.860822 
1 1 1 -17 -28 19 o 21.613  3.4194  74.852    19.400    56.263    29.167    89.601    25.980    18.701  5.4737  24.525  4.0997  -5.823542      6.838751 
1 1 1 -17 -28 20 o 17.218  3.5899  47.173    17.736    41.695    27.365    51.141    23.290    16.329  5.3885  18.107  4.7448  -1.777489      7.179800 
1 1 1 -17 -28 21 o 35.933  2.6932  188.187   25.486    201.278   37.208    176.616   34.980    37.127  3.7949  34.740  3.8225  2.387383       5.386370 
1 1 1 -17 -28 22 f 26.877  3.1889  109.116   22.039    126.062   32.881    95.292    29.698    28.871  4.3903  24.883  4.6262  3.988253       6.377795 
1 1 1 -17 -28 23 o 33.713  2.8377  168.860   25.087    165.639   36.097    171.869   34.889    33.299  4.1362  34.127  3.8862  -0.8274765     5.675422 
1 1 1 -17 -28 24 o 18.913  3.4946  54.775    19.404    90.246    29.100    26.377    26.038    24.055  4.6849  13.772  5.1866  10.28386       6.989236 
1 1 1 -17 -28 25 o 17.153  3.6549  48.640    18.609    37.168    28.360    57.315    24.660    15.395  5.4724  18.910  4.8464  -3.515677      7.309879 
1 1 1 -17 -27 3  o 12.130  3.1454  16.368    13.496    31.481    21.835    7.0238    17.169    14.423  4.8158  9.8358  4.0473  4.587467       6.290713 
1 1 1 -17 -27 4  f 15.777  3.3742  38.440    15.322    38.251    24.084    38.568    19.859    15.719  5.0462  15.835  4.4808  -0.1161900     6.748422 
1 1 1 -17 -27 5  o 22.248  3.0007  72.583    17.111    111.727   26.203    43.478    22.594    27.753  3.6104  16.744  4.7939  11.00907       6.001361 
1 1 1 -17 -27 6  o 15.987  3.1550  33.337    15.378    66.457    24.460    11.686    19.776    20.899  4.5025  11.076  4.4208  9.822932       6.309992 
1 1 1 -17 -27 7  o 44.567  2.2960  281.088   27.201    278.618   39.070    283.412   37.892    44.326  3.3147  44.807  3.1779  -0.4812698     4.591994 
1 1 1 -17 -27 8  o 24.277  2.8536  85.644    17.795    100.153   26.877    74.319    23.746    26.159  3.9598  22.395  4.1100  3.764135       5.707177 
1 1 1 -17 -27 9  o 11.377  2.8629  16.664    11.633    2.7350    19.737    24.077    14.400    9.9012  4.2224  12.852  3.8672  -2.951128      5.725766 
1 1 1 -17 -27 10 o 41.544  2.3140  242.964   25.443    272.523   36.992    216.429   35.049    44.019  3.1585  39.068  3.3828  4.951439       4.628097 
1 1 1 -17 -27 11 o 15.802  3.2704  36.820    14.528    43.024    22.893    32.636    18.798    16.800  4.8299  14.803  4.4105  1.996332       6.540717 
1 1 1 -17 -27 12 o 35.460  2.4266  179.188   22.633    161.396   32.182    196.600   31.836    33.577  3.6364  37.344  3.2142  -3.766926      4.853270 
1 1 1 -17 -27 13 o 37.895  2.3992  203.435   24.085    205.449   34.617    201.546   33.530    38.054  3.4333  37.737  3.3522  0.3168068      4.798382 
1 1 1 -17 -27 14 f 29.420  2.6803  125.079   20.447    143.037   29.215    107.836   28.627    31.670  3.5027  27.170  4.0579  4.499819       5.360542 
1 1 1 -17 -27 15 o 12.106  3.1358  15.648    13.526    29.493    21.323    6.3261    17.496    14.285  4.7586  9.9265  4.0853  4.358760       6.271667 
1 1 1 -17 -27 16 o 26.193  2.9429  99.944    19.596    129.640   29.086    75.264    26.517    30.029  3.6942  22.357  4.5821  7.672213       5.885769 
1 1 1 -17 -27 17 o 23.668  3.1434  83.808    19.163    81.173    27.801    86.193    26.450    23.203  4.6355  24.134  4.2468  -0.9305935     6.286726 
1 1 1 -17 -27 18 o 41.154  2.4080  240.428   26.251    225.150   37.213    255.562   37.038    39.759  3.5311  42.549  3.2750  -2.790295      4.816067 
1 1 1 -17 -27 19 o 37.400  2.4781  199.059   24.513    209.936   35.426    189.067   33.954    38.400  3.4822  36.400  3.5268  1.999485       4.956172 
1 1 1 -17 -27 20 o 19.394  3.3858  59.288    18.378    34.479    26.772    81.397    25.273    15.353  5.3279  23.435  4.1796  -8.082193      6.771689 
1 1 1 -17 -27 21 o 27.637  2.9479  113.085   21.012    106.574   30.760    118.780   28.771    26.700  4.4584  28.574  3.8579  -1.873363      5.895787 
1 1 1 -17 -27 22 o 13.431  3.4200  21.663    16.308    38.081    24.638    8.8602    21.757    15.823  5.1064  11.039  4.5509  4.783894       6.839975 
1 1 1 -17 -27 23 o 12.418  3.1934  16.128    16.096    -12.9808  25.415    35.625    20.800    9.5195  4.3710  15.316  4.6567  -5.796599      6.386767 
1 1 1 -17 -27 24 o 24.747  3.2539  93.240    20.527    137.910   30.379    55.711    27.845    30.782  3.7630  18.712  5.3096  12.06929       6.507815 
1 1 1 -17 -27 25 o 9.0385  2.8775  -7.1923   14.860    -17.0603  22.716    0.1883    19.646    8.5762  4.0048  9.5007  4.1331  -0.9245377     5.755063 
1 1 1 -17 -27 26 o 13.583  3.4628  23.089    17.070    40.639    24.910    7.5503    23.439    16.100  5.1281  11.066  4.6547  5.033341       6.925569 
1 1 1 -17 -27 27 o 34.158  2.7396  171.730   24.587    183.356   35.690    161.229   33.921    35.294  3.8372  33.021  3.9112  2.272980       5.479147 
1 1 1 -17 -27 28 o 18.043  3.6828  53.052    18.779    54.060    27.092    52.121    26.053    18.179  5.2624  17.908  5.1538  0.2710228      7.365700 
1 1 1 -17 -27 29 o 49.335  2.4861  355.611   32.614    349.479   46.677    361.459   45.588    48.826  3.5944  49.844  3.4357  -1.017307      4.972276 
1 1 1 -17 -26 1  o 32.680  2.3499  152.462   20.268    159.415   29.291    146.074   28.075    33.403  3.3177  31.957  3.3288  1.446085       4.699819 
1 1 1 -17 -26 2  o 21.997  3.0523  72.367    17.197    74.997    26.290    70.401    22.735    22.215  4.5708  21.778  4.0464  0.4369755      6.104522 
1 1 1 -17 -26 3  o 50.690  2.2418  363.317   30.120    331.651   43.331    392.923   41.898    48.381  3.3647  52.999  2.9634  -4.617813      4.483628 
1 1 1 -17 -26 4  o 14.232  3.1939  29.071    13.485    34.302    21.272    25.556    17.437    15.155  4.7274  13.309  4.2959  1.845551       6.387720 
1 1 1 -17 -26 5  o 12.685  3.1075  22.039    13.095    15.221    20.182    26.996    17.209    11.755  4.5322  13.616  4.2527  -1.860403      6.214981 
1 1 1 -17 -26 6  o 41.969  2.2799  247.270   25.365    271.338   36.551    224.910   35.230    44.008  3.1211  39.929  3.3242  4.078350       4.559767 
1 1 1 -17 -26 7  o 12.898  3.0572  23.450    12.724    14.974    20.326    28.912    16.317    11.765  4.5449  14.032  4.0903  -2.266352      6.114456 
1 1 1 -17 -26 8  o 29.985  2.4828  128.414   19.431    121.992   28.569    133.941   26.506    29.159  3.7445  30.811  3.2613  -1.652382      4.965680 
1 1 1 -17 -26 9  o 12.296  3.2169  17.349    13.969    25.506    21.841    11.703    18.172    13.680  4.8086  10.913  4.2745  2.766420       6.433840 
1 1 1 -17 -26 10 o 25.474  2.7131  93.918    17.804    91.583    26.586    95.815    23.974    25.053  4.1040  25.896  3.5498  -0.8424950     5.426275 
1 1 1 -17 -26 11 o 26.402  2.7136  99.662    18.301    126.239   27.163    77.566    24.767    29.820  3.4653  22.985  4.1768  6.835556       5.427186 
1 1 1 -17 -26 12 o 16.047  3.2909  38.828    15.022    33.862    22.866    42.599    19.926    15.208  4.9205  16.886  4.3714  -1.678079      6.581851 
1 1 1 -17 -26 13 f 40.811  2.3431  234.750   25.312    217.796   36.087    251.170   35.514    39.257  3.4676  42.364  3.1523  -3.107098      4.686268 
1 1 1 -17 -26 14 o 13.734  3.4113  25.125    15.398    30.479    23.839    21.292    20.170    14.671  5.0312  12.797  4.6080  1.873734       6.822526 
1 1 1 -17 -26 15 o 35.729  2.4070  180.606   22.707    169.533   32.258    191.480   31.968    34.562  3.5343  36.896  3.2686  -2.333187      4.814055 
1 1 1 -17 -26 16 o 14.975  3.3501  32.778    14.971    34.519    22.630    31.424    19.963    15.307  4.8891  14.643  4.5815  0.6640339      6.700288 
1 1 1 -17 -26 17 o 18.978  3.2626  53.792    16.605    68.292    24.356    41.201    22.697    21.423  4.3921  16.533  4.8256  4.890581       6.525100 
1 1 1 -17 -26 18 o 30.945  2.5675  137.040   20.794    125.719   29.479    148.251   29.335    29.560  3.8120  32.330  3.4405  -2.769638      5.134998 
1 1 1 -17 -26 19 o 31.920  2.5823  145.392   21.654    154.707   31.294    136.834   29.995    32.934  3.6066  30.906  3.6968  2.027702       5.164639 
1 1 1 -17 -26 20 o 9.8366  2.9517  1.4933    14.098    -15.3431  23.289    11.231    17.711    8.9382  4.1328  10.735  4.2154  -1.796700      5.903425 
1 1 1 -17 -26 21 o 27.425  3.0156  111.037   21.306    104.056   31.115    117.200   29.236    26.427  4.5606  28.423  3.9467  -1.996426      6.031267 
1 1 1 -17 -26 22 o 31.519  2.6725  142.979   22.097    149.295   31.538    136.889   30.971    32.244  3.7200  30.795  3.8381  1.448898       5.345009 
1 1 1 -17 -26 23 o 24.283  3.2136  89.136    20.032    77.019    28.937    100.286   27.758    22.417  4.9514  26.149  4.0979  -3.732113      6.427234 
1 1 1 -17 -26 24 o 39.666  2.4670  224.243   25.907    217.758   37.197    230.351   36.103    39.031  3.5986  40.301  3.3756  -1.270245      4.934037 
1 1 1 -17 -26 25 o 16.762  3.5380  43.705    17.327    35.210    26.214    50.296    23.090    15.421  5.2760  18.102  4.7153  -2.680483      7.076072 
1 1 1 -17 -26 26 o 31.354  2.6874  142.654   22.081    151.156   31.586    134.527   30.880    32.330  3.7151  30.378  3.8841  1.951452       5.374793 
1 1 1 -17 -26 27 o 9.9131  3.0071  -2.0803   15.229    -18.5339  21.870    13.406    21.218    8.2875  3.8891  11.539  4.5875  -3.251268      6.014119 
1 1 1 -17 -26 28 o 44.837  2.4529  288.785   29.178    280.269   42.015    296.717   40.551    44.091  3.5888  45.583  3.3446  -1.492455      4.905715 
1 1 1 -17 -26 29 o 18.157  3.0961  47.123    18.017    95.809    26.468    5.0793    24.596    25.341  4.0348  10.972  4.6973  14.36821       6.192238 
1 1 1 -17 -26 30 o 42.988  2.4582  267.467   28.032    283.258   40.053    252.306   39.246    44.305  3.4011  41.670  3.5501  2.635323       4.916361 
1 1 1 -17 -26 31 o 17.920  3.0803  44.701    19.355    -8.9285   26.968    101.662   27.793    9.9750  4.5509  25.865  4.1523  -15.88980      6.160571 
1 1 1 -17 -26 32 o 21.366  3.5206  74.503    19.777    72.677    28.170    76.277    27.771    21.036  5.0611  21.696  4.8951  -0.6604385     7.041133 
1 1 1 -17 -25 1  o 9.0790  2.6823  3.2419    11.124    -6.4432   18.143    9.0758    14.081    8.4931  3.8176  9.6649  3.7690  -1.171842      5.364641 
1 1 1 -17 -25 2  o 18.280  3.1173  51.149    15.128    41.975    23.064    58.076    20.041    16.655  4.8653  19.905  3.8985  -3.249992      6.234560 
1 1 1 -17 -25 3  o 15.765  3.2056  37.062    14.193    37.019    21.488    37.096    18.904    15.750  4.7207  15.780  4.3380  -0.3015900E-01 6.411159 
1 1 1 -17 -25 4  o 31.556  2.3751  140.090   19.493    170.201   28.576    113.882   26.660    34.868  3.0918  28.244  3.6063  6.623960       4.750185 
1 1 1 -17 -25 5  o 16.798  2.9798  39.436    13.897    62.972    21.550    22.678    18.184    20.733  4.0257  12.863  4.3943  7.869552       5.959533 
1 1 1 -17 -25 6  o 16.580  3.0968  42.255    14.181    30.734    22.308    50.068    18.370    14.646  4.8668  18.513  3.8310  -3.866543      6.193688 
1 1 1 -17 -25 7  o 43.861  2.1789  268.080   25.408    284.646   36.368    252.286   35.511    45.224  3.0198  42.498  3.1419  2.725292       4.357838 
1 1 1 -17 -25 8  o 52.649  2.2059  386.090   30.963    392.319   44.225    380.101   43.365    53.062  3.1254  52.235  3.1137  0.8276443      4.411718 
1 1 1 -17 -25 9  o 18.774  3.1041  54.650    15.868    32.054    23.604    73.281    21.434    14.969  5.0071  22.579  3.6702  -7.609299      6.208158 
1 1 1 -17 -25 10 o 23.989  2.8274  82.507    17.274    107.367   25.802    62.317    23.253    27.460  3.5944  20.517  4.3654  6.942541       5.654787 
1 1 1 -17 -25 11 o 23.056  4.1180  77.521    24.497    77.521    24.497    0.0000    0.0000    23.056  4.1180  ?       ?       ?              ?        
1 1 1 -17 -25 12 o 15.359  4.8021  34.567    21.936    34.567    21.936    0.0000    0.0000    15.359  4.8021  ?       ?       ?              ?        
1 1 1 -17 -25 13 o 29.343  3.7189  122.804   28.572    122.804   28.572    0.0000    0.0000    29.343  3.7189  ?       ?       ?              ?        
1 1 1 -17 -25 14 o 37.570  3.2746  197.850   32.624    197.850   32.624    0.0000    0.0000    37.570  3.2746  ?       ?       ?              ?        
1 1 1 -17 -25 15 o 29.212  3.7353  121.828   28.558    121.828   28.558    0.0000    0.0000    29.212  3.7353  ?       ?       ?              ?        
1 1 1 -17 -25 16 o 15.824  4.8774  37.027    22.720    37.027    22.720    0.0000    0.0000    15.824  4.8774  ?       ?       ?              ?        
1 1 1 -17 -25 17 f 15.674  4.8297  36.299    22.281    36.299    22.281    0.0000    0.0000    15.674  4.8297  ?       ?       ?              ?        
1 1 1 -17 -25 18 o 28.618  2.6565  117.287   19.844    123.605   28.118    111.019   28.008    29.451  3.6422  27.786  3.8683  1.665272       5.313077 
1 1 1 -17 -25 19 o 9.4570  2.9070  -0.7678   13.616    -1.1578   20.735    -0.4720   18.055    9.7278  4.2388  9.1863  3.9792  0.5415106      5.813906 
1 1 1 -17 -25 20 o 46.990  2.3093  310.991   28.673    347.481   40.291    273.551   40.813    49.955  3.0255  44.025  3.4897  5.930870       4.618629 
1 1 1 -17 -25 21 o 30.115  2.7888  132.419   21.215    167.998   30.212    97.815    29.796    34.524  3.3077  25.706  4.4909  8.817072       5.577516 
1 1 1 -17 -25 22 o 51.596  2.3830  376.635   32.415    319.212   45.831    434.110   45.852    47.421  3.6360  55.770  3.0814  -8.348995      4.766075 
1 1 1 -17 -25 23 o 35.251  2.5975  178.938   23.680    143.495   33.429    214.631   33.547    31.444  4.0642  39.057  3.2359  -7.612888      5.195087 
1 1 1 -17 -25 24 o 58.818  2.3111  486.650   36.210    512.954   51.022    459.957   51.397    60.516  3.1587  57.120  3.3744  3.395817       4.622114 
1 1 1 -17 -25 25 o 27.404  2.9174  111.167   20.403    91.171    29.195    130.257   28.525    24.659  4.5890  30.150  3.6037  -5.491032      5.834863 
1 1 1 -17 -25 26 o 14.606  3.4590  27.655    17.221    48.795    25.174    9.0610    23.610    17.782  5.0495  11.430  4.7289  6.351787       6.918089 
1 1 1 -17 -25 27 o 14.634  3.0863  27.732    16.320    -7.8144   24.200    57.386    22.103    9.7406  4.3907  19.528  4.3386  -9.787111      6.172651 
1 1 1 -17 -25 28 o 12.051  2.9983  11.260    15.262    -23.5502  23.104    38.213    20.330    8.2419  3.9068  15.859  4.5492  -7.617412      5.996547 
1 1 1 -17 -25 29 o 19.435  3.4057  58.207    18.150    79.147    26.359    39.327    25.028    22.868  4.4637  16.003  5.1449  6.865170       6.811316 
1 1 1 -17 -25 30 o 35.320  2.6031  181.218   24.103    202.668   34.240    160.148   33.936    37.581  3.4398  33.060  3.9080  4.520760       5.206178 
1 1 1 -17 -25 31 o 15.945  3.5210  39.372    18.110    18.252    26.885    56.916    24.504    12.861  5.1471  19.030  4.8061  -6.169374      7.042072 
1 1 1 -17 -25 32 o 25.680  3.1195  100.886   20.681    102.853   29.246    98.919    29.249    25.972  4.3584  25.388  4.4643  0.5848598      6.239021 
1 1 1 -17 -25 33 o 31.419  2.9470  152.000   23.398    118.995   33.857    182.174   32.372    27.512  4.7672  35.326  3.4659  -7.813972      5.893941 
1 1 1 -17 -25 34 o 25.788  3.2962  106.016   21.765    86.084    30.643    126.310   30.920    22.857  5.1310  28.719  4.1391  -5.862204      6.592360 
1 1 1 -17 -24 1  o 34.833  2.2794  169.790   20.820    201.333   30.414    141.972   28.562    37.990  3.0136  31.676  3.4207  6.313896       4.558828 
1 1 1 -17 -24 2  o 41.528  2.1849  241.625   24.007    219.999   34.382    262.199   33.535    39.599  3.2709  43.458  2.8976  -3.859230      4.369763 
1 1 1 -17 -24 3  o 36.614  2.2447  187.290   21.758    202.403   31.432    173.385   30.149    38.070  3.1096  35.157  3.2380  2.913101       4.489389 
1 1 1 -17 -24 4  o 30.224  3.5972  129.722   28.549    129.722   28.549    0.0000    0.0000    30.224  3.5972  ?       ?       ?              ?        
1 1 1 -17 -24 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -24 6  o 43.550  3.7778  268.568   43.631    0.0000    0.0000    268.568   43.631    ?       ?       43.550  3.7778  ?              ?        
1 1 1 -17 -24 7  o 37.909  3.0127  199.604   26.678    222.343   51.945    191.458   31.091    38.768  5.1283  37.049  3.1634  1.718754       6.025470 
1 1 1 -17 -24 8  o 33.555  2.2728  157.101   20.107    174.345   29.039    141.219   27.868    35.385  3.0950  31.725  3.3292  3.660763       4.545664 
1 1 1 -17 -24 9  o 35.465  2.2540  175.436   21.174    174.670   30.340    176.163   29.563    35.366  3.2389  35.563  3.1356  -0.1971130     4.508069 
1 1 1 -17 -24 10 o 16.466  3.1322  39.256    13.992    45.550    21.679    34.763    18.318    17.526  4.5706  15.405  4.2840  2.121213       6.264467 
1 1 1 -17 -24 11 o 29.113  2.4394  119.332   18.617    119.326   27.129    119.337   25.595    29.067  3.5589  29.158  3.3373  -0.9101677E-01 4.878883 
1 1 1 -17 -24 12 o 37.233  2.2399  192.865   22.123    195.365   31.616    190.466   30.967    37.465  3.1806  37.000  3.1548  0.4646149      4.479886 
1 1 1 -17 -24 13 o 13.304  2.8223  23.006    13.045    -2.5482   19.638    43.187    17.451    9.3764  4.1043  17.232  3.8750  -7.855976      5.644538 
1 1 1 -17 -24 14 o 15.229  3.1771  33.233    14.047    42.242    20.496    25.255    19.288    16.920  4.4596  13.539  4.5263  3.380562       6.354137 
1 1 1 -17 -24 15 o 14.805  3.1484  31.589    14.271    17.337    21.044    43.726    19.418    12.358  4.6609  17.251  4.2340  -4.892444      6.296891 
1 1 1 -17 -24 16 o 24.657  2.7437  87.137    17.520    88.877    24.881    85.426    24.675    24.917  3.8524  24.397  3.9079  0.5198383      5.487464 
1 1 1 -17 -24 17 o 14.704  3.0705  31.287    14.553    8.0527    22.440    48.155    19.120    11.253  4.6283  18.156  4.0362  -6.903336      6.141026 
1 1 1 -17 -24 18 o 29.361  2.6921  125.068   19.983    94.223    28.557    154.663   27.972    25.436  4.3477  33.286  3.1759  -7.850655      5.384146 
1 1 1 -17 -24 19 o 49.579  2.2118  341.529   29.216    344.237   41.044    338.747   41.598    49.799  3.0924  49.359  3.1631  0.4400330      4.423560 
1 1 1 -17 -24 20 o 35.902  3.4125  181.122   32.421    0.0000    0.0000    181.122   32.421    ?       ?       35.902  3.4125  ?              ?        
1 1 1 -17 -24 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -24 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -24 23 o 19.763  4.8766  59.172    25.657    59.172    25.657    0.0000    0.0000    19.763  4.8766  ?       ?       ?              ?        
1 1 1 -17 -24 24 o 59.038  2.2622  487.155   35.615    510.764   50.748    464.241   49.995    60.494  3.1428  57.582  3.2548  2.912018       4.524485 
1 1 1 -17 -24 25 o 34.063  2.4836  164.613   22.320    169.792   32.293    159.876   30.885    34.566  3.5378  33.560  3.4868  1.006149       4.967288 
1 1 1 -17 -24 26 o 33.356  2.4723  158.026   21.728    169.295   31.337    147.592   30.154    34.545  3.4323  32.168  3.5593  2.376972       4.944620 
1 1 1 -17 -24 27 o 23.745  3.0603  83.202    18.698    91.996    27.705    75.846    25.340    24.928  4.3050  22.563  4.3507  2.365152       6.120561 
1 1 1 -17 -24 28 o 39.287  2.4630  220.402   25.508    198.897   36.338    241.291   35.815    37.238  3.6918  41.336  3.2613  -4.097729      4.926013 
1 1 1 -17 -24 29 o 39.138  2.4395  217.999   25.302    225.834   36.158    210.482   35.419    39.850  3.4207  38.425  3.4791  1.424877       4.879065 
1 1 1 -17 -24 30 o 10.818  3.0222  1.1879    15.125    -24.1867  21.166    27.669    21.623    7.7317  3.6862  13.904  4.7903  -6.172367      6.044403 
1 1 1 -17 -24 31 o 68.739  2.3144  668.088   42.606    656.441   60.300    679.700   60.208    68.105  3.3056  69.374  3.2402  -1.269073      4.628812 
1 1 1 -17 -24 32 o 10.758  3.2728  2.8586    17.214    -3.9217   24.626    9.3379    24.073    10.100  4.5001  11.416  4.7533  -1.315993      6.545576 
1 1 1 -17 -24 33 o 16.344  2.9377  32.345    17.574    84.674    25.303    -16.4167  24.426    23.720  4.1329  8.9680  4.1760  14.75166       5.875371 
1 1 1 -17 -24 34 f 41.762  3.1120  269.616   31.769    245.479   53.837    282.512   39.350    39.277  5.2488  44.248  3.3449  -4.971352      6.224020 
1 1 1 -17 -24 35 o 14.534  3.6285  32.451    17.959    23.460    25.756    40.957    25.053    13.197  5.1110  15.872  5.1520  -2.674511      7.257097 
1 1 1 -17 -24 36 o 16.224  3.5047  42.071    18.646    16.019    26.493    67.643    26.248    12.178  5.0212  20.270  4.8907  -8.092506      7.009366 
1 1 1 -17 -23 1  o 32.351  3.7934  149.158   32.247    0.0000    0.0000    149.158   32.247    ?       ?       32.351  3.7934  ?              ?        
1 1 1 -17 -23 2  o 19.105  2.7846  51.986    13.853    76.255    20.996    33.275    18.436    23.145  3.4958  15.065  4.3353  8.079997       5.569119 
1 1 1 -17 -23 3  o 24.313  2.6011  84.160    16.215    102.073   23.649    68.265    22.276    26.916  3.3530  21.710  3.9774  5.205421       5.202127 
1 1 1 -17 -23 4  o 28.827  2.3299  116.179   17.635    124.931   25.768    108.468   24.187    29.865  3.2751  27.790  3.3148  2.074526       4.659870 
1 1 1 -17 -23 5  o 39.301  2.1217  214.144   22.127    204.459   31.651    223.403   30.946    38.381  3.1054  40.221  2.8918  -1.840618      4.243387 
1 1 1 -17 -23 6  o 24.838  2.5777  89.157    16.248    76.264    24.413    99.409    21.770    22.981  4.1173  26.695  3.1026  -3.713280      5.155447 
1 1 1 -17 -23 7  o 18.682  2.8422  49.938    13.806    62.023    20.644    40.160    18.569    20.780  3.8508  16.584  4.1814  4.195921       5.684402 
1 1 1 -17 -23 8  o 34.508  2.2484  165.642   20.499    157.017   29.378    173.826   28.618    33.574  3.3099  35.442  3.0441  -1.868305      4.496878 
1 1 1 -17 -23 9  o 16.122  2.8582  34.484    13.361    62.746    20.594    13.941    17.558    20.937  3.8129  11.307  4.2590  9.629527       5.716372 
1 1 1 -17 -23 10 o 20.514  2.8562  60.253    15.100    67.206    22.386    54.449    20.455    21.626  4.0123  19.402  4.0661  2.224297       5.712473 
1 1 1 -17 -23 11 o 30.089  2.3765  126.352   18.704    143.200   26.845    110.458   26.074    32.129  3.1603  28.048  3.5501  4.080553       4.753004 
1 1 1 -17 -23 12 o 32.901  2.2601  150.323   19.612    138.303   27.625    162.537   27.848    31.516  3.3226  34.285  3.0648  -2.768335      4.520243 
1 1 1 -17 -23 13 o 37.266  2.1900  192.160   21.620    204.390   30.522    179.844   30.628    38.507  2.9826  36.026  3.2077  2.480999       4.380075 
1 1 1 -17 -23 14 o 41.910  2.1729  242.403   24.210    245.733   33.869    238.924   34.619    42.229  3.0142  41.591  3.1306  0.6379433      4.345828 
1 1 1 -17 -23 15 o 47.103  2.1462  305.507   26.892    284.069   37.608    327.937   38.469    45.372  3.1134  48.834  2.9550  -3.461330      4.292444 
1 1 1 -17 -23 16 o 62.908  2.1638  543.499   36.454    548.273   51.274    538.620   51.838    63.203  3.0288  62.613  3.0910  0.5903397      4.327569 
1 1 1 -17 -23 17 o 43.881  2.2086  266.577   25.723    282.918   36.046    249.619   36.720    45.318  2.9863  42.444  3.2548  2.873665       4.417216 
1 1 1 -17 -23 18 o 20.962  2.9741  63.647    16.109    65.063    23.258    62.341    22.332    21.177  4.2482  20.747  4.1635  0.4300804      5.948284 
1 1 1 -17 -23 19 f 28.257  2.5959  113.182   18.936    94.469    26.581    132.465   26.983    25.714  3.9886  30.800  3.3234  -5.086443      5.191751 
1 1 1 -17 -23 20 o 53.020  2.1821  388.405   30.852    393.870   43.618    382.933   43.645    53.407  3.0619  52.633  3.1098  0.7740326      4.364178 
1 1 1 -17 -23 21 o 51.804  2.1962  371.357   30.331    365.389   42.768    377.396   43.023    51.375  3.1228  52.233  3.0889  -0.8579903     4.392387 
1 1 1 -17 -23 22 o 47.822  2.1755  317.024   27.699    326.916   38.960    306.914   39.387    48.615  3.0068  47.029  3.1449  1.586201       4.350980 
1 1 1 -17 -23 23 f 46.400  2.2177  299.077   27.386    312.294   39.081    286.324   38.388    47.434  3.0929  45.366  3.1792  2.067928       4.435482 
1 1 1 -17 -23 24 o 44.853  2.2450  280.012   26.780    292.928   38.598    268.024   37.186    45.861  3.1615  43.846  3.1882  2.015560       4.489954 
1 1 1 -17 -23 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -23 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -23 27 o 8.0819  2.6389  -13.2109  13.383    -9.5079   19.215    -16.6989  18.649    8.4765  3.8573  7.6873  3.6022  0.7892694      5.277738 
1 1 1 -17 -23 28 o 27.682  2.7187  110.785   19.614    111.895   27.836    109.691   27.641    27.826  3.8368  27.538  3.8529  0.2880936      5.437453 
1 1 1 -17 -23 29 o 17.138  3.2854  43.940    16.574    22.857    23.243    65.749    23.640    13.313  4.9225  20.963  4.3526  -7.649554      6.570864 
1 1 1 -17 -23 30 o 16.912  3.4441  43.419    16.523    51.253    24.225    36.604    22.595    18.243  4.8675  15.581  4.8740  2.662328       6.888242 
1 1 1 -17 -23 31 o 46.591  2.3244  307.017   28.810    315.005   41.444    299.548   40.077    47.169  3.3011  46.014  3.2732  1.155624       4.648729 
1 1 1 -17 -23 32 o 12.895  3.4031  18.918    16.413    33.019    23.997    6.5237    22.498    14.924  5.0483  10.866  4.5649  4.057734       6.806145 
1 1 1 -17 -23 33 o 11.309  3.1940  9.5345    15.494    -4.9253   22.201    23.266    21.635    9.5240  4.2560  13.094  4.7637  -3.569777      6.387999 
1 1 1 -17 -23 34 o 25.049  3.1455  95.295    20.306    99.060    29.627    91.959    27.887    25.487  4.5046  24.611  4.3916  0.8765621      6.291032 
1 1 1 -17 -23 35 o 13.646  3.6004  24.857    18.151    13.948    25.711    35.696    25.629    12.109  4.9642  15.183  5.2161  -3.074363      7.200804 
1 1 1 -17 -23 36 o 29.013  2.9509  127.648   22.097    109.674   30.565    147.327   31.982    26.629  4.4419  31.396  3.8861  -4.767628      5.901822 
1 1 1 -17 -23 37 o 8.9264  2.8963  -9.4591   15.755    -11.9791  22.102    -6.8562   22.463    8.6700  4.0149  9.1827  4.1755  -0.5127144     5.792611 
1 1 1 -17 -22 1  o 21.447  2.6990  69.529    14.454    41.660    21.003    94.600    19.921    16.806  4.5529  26.087  2.9001  -9.280849      5.398060 
1 1 1 -17 -22 2  o 9.9754  2.7146  9.4179    10.065    12.545    15.927    7.3389    12.987    10.758  4.0555  9.1926  3.6097  1.565508       5.429278 
1 1 1 -17 -22 3  o 50.908  2.0968  356.665   28.463    365.002   40.714    348.697   39.805    51.492  2.9645  50.324  2.9662  1.167629       4.193670 
1 1 1 -17 -22 4  o 44.908  2.0907  277.262   24.994    289.294   35.974    266.034   34.751    45.858  2.9443  43.958  2.9689  1.899273       4.181307 
1 1 1 -17 -22 5  f 54.707  2.0935  410.811   30.556    419.798   43.730    402.238   42.714    55.291  2.9636  54.122  2.9577  1.169266       4.186975 
1 1 1 -17 -22 6  o 19.175  2.7790  52.097    13.773    64.881    20.617    41.793    18.509    21.362  3.7395  16.988  4.1118  4.374035       5.557948 
1 1 1 -17 -22 7  o 41.083  2.1037  231.918   22.900    258.784   32.867    206.573   31.923    43.453  2.8396  38.714  3.1047  4.739174       4.207424 
1 1 1 -17 -22 8  o 40.290  2.1162  223.015   22.654    235.426   32.332    211.045   31.751    41.417  2.9335  39.164  3.0509  2.252831       4.232431 
1 1 1 -17 -22 9  o 23.367  2.6471  77.190    15.971    76.392    23.316    77.895    21.921    23.205  3.8889  23.529  3.5922  -0.3242359     5.294156 
1 1 1 -17 -22 10 o 52.801  2.0908  381.902   29.436    367.954   41.620    395.861   41.637    51.811  3.0121  53.790  2.9006  -1.979149      4.181659 
1 1 1 -17 -22 11 o 58.691  2.0942  471.533   32.764    511.126   46.418    432.222   46.253    61.239  2.8299  56.142  3.0877  5.096752       4.188310 
1 1 1 -17 -22 12 o 14.340  3.0639  28.972    12.754    30.272    18.455    27.784    17.647    14.618  4.3734  14.062  4.2924  0.5556688      6.127881 
1 1 1 -17 -22 13 o 33.504  2.2267  154.851   19.745    155.302   27.722    154.388   28.130    33.563  3.1195  33.445  3.1784  0.1180115      4.453467 
1 1 1 -17 -22 14 o 13.388  3.1080  24.331    12.888    21.947    19.309    26.246    17.309    13.057  4.5251  13.720  4.2617  -0.6639099     6.215989 
1 1 1 -17 -22 15 o 40.660  2.1148  226.609   22.850    214.422   31.688    239.809   32.979    39.509  3.0173  41.812  2.9639  -2.303383      4.229506 
1 1 1 -17 -22 16 o 19.238  2.9618  53.332    14.838    58.070    21.173    48.760    20.800    20.121  4.0686  18.355  4.3052  1.766312       5.923536 
1 1 1 -17 -22 17 o 55.636  2.1218  424.244   31.498    423.977   44.165    424.520   44.934    55.629  2.9748  55.643  3.0263  -0.1377487E-01 4.243565 
1 1 1 -17 -22 18 o 47.760  2.1096  312.878   26.845    303.163   37.592    322.987   38.348    46.993  3.0022  48.526  2.9646  -1.532093      4.219264 
1 1 1 -17 -22 19 o 22.754  2.7656  74.105    16.171    66.267    23.237    81.465    22.519    21.461  4.1929  24.047  3.6074  -2.586531      5.531129 
1 1 1 -17 -22 20 o 34.665  2.3166  166.592   21.243    173.262   30.228    160.082   29.861    35.374  3.2257  33.956  3.3258  1.418018       4.633199 
1 1 1 -17 -22 21 o 40.563  2.2196  229.254   23.616    191.758   33.650    265.645   33.151    37.133  3.4218  43.994  2.8282  -6.861336      4.439294 
1 1 1 -17 -22 22 o 41.232  2.1856  234.900   23.950    227.167   33.884    242.622   33.858    40.528  3.1460  41.937  3.0347  -1.408844      4.371176 
1 1 1 -17 -22 23 o 28.918  2.5357  117.550   19.201    124.229   27.641    111.322   26.693    29.739  3.5396  28.097  3.6320  1.641825       5.071501 
1 1 1 -17 -22 24 o 60.364  2.1613  502.497   34.882    508.487   49.276    496.480   49.385    60.777  3.0269  59.952  3.0859  0.8254890      4.322623 
1 1 1 -17 -22 25 o 44.735  2.2002  278.203   26.129    260.764   37.362    294.897   36.556    43.286  3.2462  46.184  2.9709  -2.897854      4.400495 
1 1 1 -17 -22 26 o 58.361  2.1865  472.233   34.053    481.742   48.595    463.059   47.733    58.941  3.0889  57.780  3.0955  1.161373       4.373000 
1 1 1 -17 -22 27 o 17.685  3.9610  45.784    19.483    48.083    37.955    44.962    22.703    18.050  6.3394  17.319  4.7509  0.7309151      7.922050 
1 1 1 -17 -22 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -22 29 o 13.287  3.2907  22.043    15.347    36.119    21.716    7.9966    21.693    15.568  4.7633  11.006  4.5415  4.562343       6.581358 
1 1 1 -17 -22 30 o 32.174  2.5466  148.016   21.473    163.775   30.706    132.934   30.039    33.963  3.4220  30.384  3.7722  3.579361       5.093112 
1 1 1 -17 -22 31 o 32.185  2.5604  148.129   21.638    161.649   31.504    136.055   29.772    33.624  3.5519  30.746  3.6888  2.877827       5.120862 
1 1 1 -17 -22 32 f 12.611  3.1060  15.300    15.551    -13.2807  22.729    40.453    21.323    8.9330  4.1135  16.289  4.6548  -7.355893      6.211967 
1 1 1 -17 -22 33 o 10.861  3.2193  6.3662    15.885    11.123    22.122    1.3023    22.824    11.391  4.6298  10.331  4.4744  1.060587       6.438591 
1 1 1 -17 -22 34 o 7.7470  2.6101  -23.6457  14.963    -24.0900  21.192    -23.2040  21.129    7.7248  3.6844  7.7691  3.6982  -0.4433918E-01 5.220253 
1 1 1 -17 -22 35 o 21.218  3.3260  70.735    18.483    82.730    25.547    57.559    26.774    23.434  4.2256  19.002  5.1374  4.431324       6.651959 
1 1 1 -17 -22 36 o 19.052  3.6069  58.430    18.796    61.771    26.605    55.101    26.558    19.634  5.0349  18.470  5.1660  1.163393       7.213758 
1 1 1 -17 -22 37 o 17.278  3.3298  45.206    18.467    11.601    25.676    81.215    26.579    11.741  4.9006  22.814  4.5094  -11.07274      6.659671 
1 1 1 -17 -22 38 o 15.854  3.2531  37.642    17.968    71.081    24.867    1.1147    25.990    21.136  4.5288  10.572  4.6712  10.56414       6.506162 
1 1 1 -17 -21 1  o 31.515  2.1828  137.445   18.182    138.490   26.120    136.462   25.325    31.620  3.1250  31.411  3.0485  0.2094574      4.365628 
1 1 1 -17 -21 2  o 27.084  2.2985  101.891   16.096    123.958   23.469    82.292    22.118    29.969  2.9625  24.199  3.5151  5.769438       4.597020 
1 1 1 -17 -21 3  o 18.597  2.8052  49.061    13.575    62.523    20.184    37.941    18.344    20.988  3.7269  16.206  4.1938  4.782387       5.610494 
1 1 1 -17 -21 4  o 71.805  2.1778  704.697   41.867    733.754   59.722    676.617   58.709    73.278  3.0428  70.333  3.1165  2.945198       4.355580 
1 1 1 -17 -21 5  o 52.228  2.0522  372.815   28.586    385.496   40.680    360.445   40.179    53.119  2.8698  51.336  2.9342  1.782921       4.104303 
1 1 1 -17 -21 6  o 57.458  2.0889  451.017   32.036    455.149   45.707    447.026   44.915    57.712  2.9669  57.204  2.9414  0.5088921      4.177824 
1 1 1 -17 -21 7  o 83.138  2.2793  945.291   50.624    1031.19   72.056    861.560   71.139    86.936  3.0944  79.340  3.3476  7.596161       4.558689 
1 1 1 -17 -21 8  o 20.062  2.6975  56.716    13.893    74.603    20.518    41.571    18.879    23.114  3.4171  17.010  4.1748  6.104019       5.394918 
1 1 1 -17 -21 9  o 34.395  2.1764  163.152   19.705    144.010   27.980    181.987   27.755    32.313  3.2782  36.477  2.8637  -4.164017      4.352850 
1 1 1 -17 -21 10 o 69.636  2.1315  660.300   39.754    649.964   56.200    670.651   56.240    69.082  3.0373  70.190  2.9914  -1.108292      4.263052 
1 1 1 -17 -21 11 o 35.279  2.1345  170.941   19.890    153.545   28.039    188.562   28.220    33.414  3.1708  37.143  2.8585  -3.728828      4.269037 
1 1 1 -17 -21 12 o 40.271  2.0738  221.637   22.201    220.570   30.815    222.788   32.014    40.184  2.8822  40.358  2.9827  -0.1746254     4.147683 
1 1 1 -17 -21 13 o 25.037  2.4314  87.219    15.857    82.254    22.237    92.356    22.618    24.277  3.5225  25.797  3.3526  -1.519953      4.862893 
1 1 1 -17 -21 14 f 24.289  2.4818  83.538    15.252    62.436    21.520    104.838   21.621    20.972  3.9766  27.607  2.9707  -6.635120      4.963682 
1 1 1 -17 -21 15 f 14.924  3.0614  31.518    12.926    31.932    19.025    31.163    17.617    15.029  4.4271  14.819  4.2297  0.2095728      6.122847 
1 1 1 -17 -21 16 o 65.580  2.1144  585.526   37.136    581.341   52.044    589.867   53.005    65.347  2.9734  65.812  3.0069  -0.4653015     4.228827 
1 1 1 -17 -21 17 o 51.696  2.0529  364.682   28.307    356.186   39.726    373.445   40.347    51.079  2.9157  52.314  2.8906  -1.235092      4.105750 
1 1 1 -17 -21 18 o 46.649  2.0610  297.277   25.615    287.030   35.868    307.942   36.592    45.818  2.9382  47.480  2.8911  -1.661140      4.122038 
1 1 1 -17 -21 19 o 52.413  2.0763  375.439   29.026    365.179   40.866    385.884   41.233    51.678  2.9648  53.148  2.9075  -1.470055      4.152526 
1 1 1 -17 -21 20 o 55.940  2.1008  428.178   31.341    399.547   44.481    456.404   44.166    53.996  3.0884  57.883  2.8487  -3.887344      4.201571 
1 1 1 -17 -21 21 o 78.060  2.2433  834.231   46.894    812.907   66.189    855.722   66.449    77.040  3.2076  79.081  3.1371  -2.040962      4.486659 
1 1 1 -17 -21 22 o 36.288  2.2513  183.338   21.366    153.041   30.408    212.881   30.028    33.178  3.4733  39.398  2.8652  -6.219719      4.502511 
1 1 1 -17 -21 23 o 7.3564  2.3927  -17.3333  11.295    -0.5668   16.787    -31.2035  15.268    8.9589  3.8588  5.7539  2.8302  3.205015       4.785445 
1 1 1 -17 -21 24 o 27.552  2.4818  106.431   17.895    104.199   25.332    108.655   25.281    27.243  3.5565  27.860  3.4625  -0.6171341     4.963626 
1 1 1 -17 -21 25 o 42.532  2.1832  250.041   24.680    243.685   35.337    256.094   34.484    41.969  3.1668  43.096  3.0062  -1.127750      4.366465 
1 1 1 -17 -21 26 o 26.963  2.6299  103.354   18.399    96.971    26.652    109.167   25.431    26.065  3.9405  27.861  3.4840  -1.796883      5.259837 
1 1 1 -17 -21 27 o 38.711  2.2201  208.187   22.819    211.129   32.475    205.317   32.072    38.984  3.1366  38.438  3.1426  0.5460320      4.440115 
1 1 1 -17 -21 28 o 17.162  3.1136  42.293    15.419    66.812    22.552    20.770    21.129    21.426  4.0788  12.899  4.7055  8.526778       6.227194 
1 1 1 -17 -21 29 o 15.190  3.9396  28.837    18.497    34.055    38.996    27.323    21.011    16.398  6.3061  13.982  4.7238  2.416637       7.879142 
1 1 1 -17 -21 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -21 31 o 32.640  2.4319  151.232   20.935    154.013   30.051    148.610   29.181    32.924  3.4595  32.357  3.4188  0.5666618      4.863747 
1 1 1 -17 -21 32 o 11.791  3.1884  12.134    15.429    28.372    21.070    -6.6397   22.655    14.052  4.7305  9.5302  4.2761  4.521436       6.376752 
1 1 1 -17 -21 33 o 18.283  3.5066  51.822    17.618    49.781    25.168    53.782    24.672    17.909  5.0360  18.656  4.8811  -0.7467747     7.013290 
1 1 1 -17 -21 34 o 12.633  3.3265  18.678    15.523    8.4349    21.404    30.042    22.545    10.913  4.5078  14.353  4.8930  -3.439838      6.652950 
1 1 1 -17 -21 35 o 6.6219  2.2743  -28.5679  12.744    -24.5377  17.729    -32.8771  18.332    6.7982  3.2754  6.4457  3.1562  0.3524895      4.548607 
1 1 1 -17 -21 36 o 52.890  2.3681  399.651   33.361    385.183   46.953    414.400   47.409    51.872  3.3982  53.909  3.2992  -2.036446      4.736287 
1 1 1 -17 -21 37 o 19.461  3.4369  60.137    18.826    35.303    26.237    86.493    27.029    15.159  5.2737  23.763  4.4089  -8.603770      6.873868 
1 1 1 -17 -21 38 o 9.1263  2.8638  -10.3286  15.376    10.659    20.891    -35.1354  22.713    10.918  4.4753  7.3342  3.5743  3.584218       5.727508 
1 1 1 -17 -21 39 o 17.597  3.6061  51.007    19.193    73.707    27.480    29.390    26.817    21.212  4.9303  13.982  5.2640  7.230756       7.212295 
1 1 1 -17 -20 1  o 29.491  2.1515  119.713   16.735    125.326   24.289    114.639   23.092    30.153  3.0493  28.829  3.0360  1.323273       4.302988 
1 1 1 -17 -20 2  o 10.062  2.4401  12.017    8.5058    2.9754    12.833    19.101    11.359    8.4313  3.4872  11.692  3.4141  -3.260521      4.880276 
1 1 1 -17 -20 3  o 31.679  2.1697  138.593   18.081    126.730   25.995    149.712   25.167    30.297  3.2543  33.060  2.8706  -2.763071      4.339398 
1 1 1 -17 -20 4  o 35.653  2.1091  174.405   19.913    167.586   28.696    180.739   27.656    34.944  3.0980  36.362  2.8627  -1.417683      4.218129 
1 1 1 -17 -20 5  o 94.757  2.4169  1226.45   61.329    1263.00   87.346    1190.92   86.133    96.164  3.3911  93.350  3.4448  2.813385       4.833848 
1 1 1 -17 -20 6  o 36.058  2.1154  177.738   20.237    182.303   29.138    173.484   28.129    36.504  3.0069  35.612  2.9762  0.8919029      4.230782 
1 1 1 -17 -20 7  o 34.415  2.1511  162.234   19.519    183.168   28.005    142.460   27.219    36.630  2.8776  32.200  3.1982  4.430340       4.302211 
1 1 1 -17 -20 8  o 95.512  2.4046  1243.98   61.514    1242.45   87.363    1245.48   86.628    95.446  3.4173  95.579  3.3838  -0.1332245     4.809187 
1 1 1 -17 -20 9  o 41.223  2.0584  231.660   22.581    229.497   31.923    233.826   31.947    41.026  2.9242  41.419  2.8979  -0.3933372     4.116873 
1 1 1 -17 -20 10 o 46.275  2.0236  291.857   24.907    311.339   35.128    272.158   35.322    47.864  2.7516  44.686  2.9680  3.177559       4.047249 
1 1 1 -17 -20 11 o 28.784  2.1948  114.061   16.595    123.185   23.389    104.811   23.549    29.993  2.9496  27.574  3.2510  2.418501       4.389657 
1 1 1 -17 -20 12 o 40.189  2.0253  219.880   21.641    207.854   30.185    232.600   31.042    39.044  2.9072  41.335  2.8206  -2.291145      4.050634 
1 1 1 -17 -20 13 o 35.636  2.1039  173.462   19.884    172.615   27.581    174.378   28.692    35.557  2.9218  35.715  3.0279  -0.1574669     4.207767 
1 1 1 -17 -20 14 o 48.553  2.0383  322.898   26.174    362.409   36.627    281.664   37.417    51.677  2.6551  45.429  3.0934  6.247662       4.076578 
1 1 1 -17 -20 15 o 100.728 2.4693  1384.61   66.611    1402.11   93.792    1366.80   94.617    101.391 3.4536  100.066 3.5302  1.325485       4.938597 
1 1 1 -17 -20 16 o 57.410  2.0473  447.680   31.426    440.758   44.073    454.839   44.823    56.922  2.9003  57.898  2.8903  -0.9764328     4.094615 
1 1 1 -17 -20 17 o 40.795  2.0541  227.111   22.284    234.325   31.392    219.782   31.639    41.466  2.8436  40.123  2.9651  1.343918       4.108250 
1 1 1 -17 -20 18 o 28.279  2.2960  110.655   16.926    95.293    23.779    126.431   24.097    26.200  3.4742  30.358  3.0029  -4.158342      4.592084 
1 1 1 -17 -20 19 o 10.104  2.7990  8.6399    10.970    8.9643    16.439    8.3794    14.730    10.342  4.0611  9.8657  3.8528  0.4758282      5.597923 
1 1 1 -17 -20 20 o 8.3821  2.5999  -3.3424   11.181    -3.9870   16.284    -2.7674   15.380    8.4340  3.7134  8.3302  3.6397  0.1037836      5.199705 
1 1 1 -17 -20 21 f 27.709  2.3225  106.167   16.875    113.859   24.243    98.937    23.503    28.715  3.2068  26.703  3.3604  2.012037       4.645022 
1 1 1 -17 -20 22 o 37.708  2.1043  194.983   20.981    218.731   30.054    172.406   29.304    40.005  2.8229  35.411  3.1215  4.593948       4.208604 
1 1 1 -17 -20 23 f 20.926  2.7674  62.117    14.918    70.274    21.663    54.760    20.573    22.301  3.7603  19.551  4.0613  2.749672       5.534858 
1 1 1 -17 -20 24 o 22.604  2.6432  72.265    15.420    71.537    22.377    72.923    21.280    22.456  3.8594  22.751  3.6127  -0.2954044     5.286461 
1 1 1 -17 -20 25 o 22.369  2.8109  73.224    15.931    55.726    23.339    88.488    21.799    19.559  4.5420  25.179  3.3126  -5.619736      5.621705 
1 1 1 -17 -20 26 o 51.052  2.0926  357.961   28.486    358.707   40.735    357.248   39.849    51.091  2.9897  51.013  2.9287  0.7828903E-01  4.185206 
1 1 1 -17 -20 27 o 37.267  2.2287  191.436   21.952    215.538   32.177    170.451   30.024    39.498  3.0655  35.036  3.2359  4.461948       4.457416 
1 1 1 -17 -20 28 o 8.5769  2.7217  -7.2495   13.025    -10.3301  18.724    -4.3611   18.130    8.3423  3.8006  8.8116  3.8970  -0.4693317     5.443459 
1 1 1 -17 -20 29 o 9.3962  2.7862  -1.2004   12.746    -16.0289  18.288    12.807    17.774    7.6903  3.5919  11.102  4.2602  -3.411768      5.572356 
1 1 1 -17 -20 30 o 70.098  2.2411  681.656   42.074    695.453   59.740    668.076   59.267    70.817  3.1495  69.379  3.1893  1.438095       4.482291 
1 1 1 -17 -20 31 o 40.175  4.1431  232.529   43.943    0.0000    0.0000    232.529   43.943    ?       ?       40.175  4.1431  ?              ?        
1 1 1 -17 -20 32 o 38.768  3.3538  212.167   34.482    212.167   34.482    0.0000    0.0000    38.768  3.3538  ?       ?       ?              ?        
1 1 1 -17 -20 33 o 22.576  3.0842  76.303    17.946    85.995    25.365    66.589    25.394    24.197  4.0573  20.955  4.6462  3.242067       6.168395 
1 1 1 -17 -20 34 o 38.370  2.4276  210.220   24.577    228.887   34.616    191.246   34.899    40.227  3.2402  36.514  3.6159  3.713547       4.855227 
1 1 1 -17 -20 35 o 13.650  3.4796  25.643    16.285    23.978    22.938    27.335    23.125    13.372  4.8990  13.928  4.9426  -0.5560598     6.959102 
1 1 1 -17 -20 36 o 13.749  3.5357  26.060    16.865    23.889    23.609    28.323    24.100    13.382  4.9584  14.115  5.0417  -0.7336111     7.071427 
1 1 1 -17 -20 37 o 11.208  3.2484  7.0372    15.962    -4.3796   21.227    21.892    24.214    9.3381  4.1681  13.079  4.9834  -3.740579      6.496735 
1 1 1 -17 -20 38 o 16.295  3.6278  41.761    18.265    28.518    25.772    55.126    25.891    14.085  5.1878  18.506  5.0724  -4.421225      7.255515 
1 1 1 -17 -20 39 f 28.330  3.1448  124.614   22.857    107.536   32.529    141.269   32.124    26.033  4.8434  30.627  4.0125  -4.594173      6.289570 
1 1 1 -17 -20 40 o 23.845  3.5100  93.034    21.689    98.090    30.992    88.182    30.362    24.570  4.8814  23.119  5.0449  1.450945       7.019903 
1 1 1 -17 -19 1  o 41.149  1.9841  230.869   21.733    230.534   31.023    231.192   30.456    41.112  2.8346  41.186  2.7770  -0.7389832E-01 3.968187 
1 1 1 -17 -19 2  o 29.729  2.0753  121.126   16.299    126.633   23.212    115.769   22.892    30.414  2.8839  29.045  2.9851  1.368750       4.150625 
1 1 1 -17 -19 3  o 13.592  2.6811  26.151    10.054    24.396    15.753    27.358    13.059    13.289  4.0552  13.895  3.5083  -0.6056299     5.362204 
1 1 1 -17 -19 4  o 56.382  2.0079  431.375   30.270    431.268   43.054    431.480   42.567    56.335  2.8627  56.429  2.8163  -0.9449768E-01 4.015799 
1 1 1 -17 -19 5  o 56.452  2.0135  432.321   30.390    430.089   43.195    434.509   42.764    56.266  2.8758  56.638  2.8189  -0.3723106     4.026937 
1 1 1 -17 -19 6  o 61.781  2.0476  517.197   33.880    509.097   47.972    525.257   47.856    61.292  2.9221  62.271  2.8692  -0.9782829     4.095271 
1 1 1 -17 -19 7  f 54.939  2.0176  409.870   29.579    421.161   41.765    398.508   41.896    55.712  2.8078  54.167  2.8982  1.545853       4.035277 
1 1 1 -17 -19 8  o 69.501  2.1106  654.970   39.259    682.323   55.399    627.375   55.644    70.978  2.9140  68.023  3.0540  2.955345       4.221171 
1 1 1 -17 -19 9  o 44.853  2.7709  273.149   33.126    273.149   33.126    0.0000    0.0000    44.853  2.7709  ?       ?       ?              ?        
1 1 1 -17 -19 10 o 46.708  2.7635  296.076   34.420    296.076   34.420    0.0000    0.0000    46.708  2.7635  ?       ?       ?              ?        
1 1 1 -17 -19 11 o 7.2788  3.3040  -8.1016   13.987    -8.1016   13.987    0.0000    0.0000    7.2788  3.3040  ?       ?       ?              ?        
1 1 1 -17 -19 12 o 21.307  3.5293  63.338    19.437    63.338    19.437    0.0000    0.0000    21.307  3.5293  ?       ?       ?              ?        
1 1 1 -17 -19 13 o 44.111  2.6725  254.011   27.550    240.223   31.773    295.783   55.303    42.040  2.8383  46.181  4.5292  -4.140789      5.345068 
1 1 1 -17 -19 14 o 50.082  1.9870  340.921   26.505    356.072   37.091    325.111   37.890    51.247  2.7118  48.917  2.9049  2.329819       3.973958 
1 1 1 -17 -19 15 o 7.1930  2.2144  -8.9206   9.2495    -29.7051  14.312    5.9873    12.121    5.5727  2.7409  8.8134  3.4788  -3.240622      4.428843 
1 1 1 -17 -19 16 o 68.648  2.0875  638.752   38.372    647.302   53.819    629.912   54.724    69.128  2.9066  68.169  2.9971  0.9592361      4.175066 
1 1 1 -17 -19 17 o 36.166  2.0601  178.318   19.785    177.436   27.764    179.227   28.200    36.078  2.8976  36.253  2.9291  -0.1758728     4.120173 
1 1 1 -17 -19 18 o 29.232  2.1784  117.647   16.713    106.796   23.854    128.111   23.423    27.848  3.2597  30.616  2.8906  -2.768068      4.356712 
1 1 1 -17 -19 19 o 48.532  2.0131  320.491   26.007    297.898   36.633    343.448   36.928    46.777  2.9388  50.288  2.7520  -3.510456      4.026185 
1 1 1 -17 -19 20 o 55.878  2.0096  423.959   30.013    412.028   42.414    435.925   42.477    55.043  2.8869  56.713  2.7963  -1.670258      4.019133 
1 1 1 -17 -19 21 o 84.100  2.2625  963.366   50.904    1019.45   72.141    907.751   71.840    86.576  3.1110  81.623  3.2859  4.952858       4.524982 
1 1 1 -17 -19 22 o 17.008  2.8695  41.735    13.369    24.753    18.964    58.515    18.851    13.614  4.4854  20.402  3.5801  -6.787501      5.739036 
1 1 1 -17 -19 23 o 62.691  2.0708  534.795   34.747    514.248   49.320    555.044   48.961    61.473  2.9953  63.910  2.8602  -2.436577      4.141590 
1 1 1 -17 -19 24 o 30.646  2.2714  130.293   18.160    110.274   25.651    150.409   25.713    28.174  3.4726  33.118  2.9288  -4.944374      4.542781 
1 1 1 -17 -19 25 o 18.266  3.0307  48.654    14.639    40.201    21.402    56.087    20.069    16.698  4.6259  19.834  3.9168  -3.135872      6.061362 
1 1 1 -17 -19 26 o 53.453  2.0657  390.830   29.456    400.254   42.163    381.845   41.169    54.084  2.9214  52.822  2.9212  1.261719       4.131341 
1 1 1 -17 -19 27 o 24.941  2.6432  86.979    16.884    108.449   25.114    69.271    22.808    27.871  3.4370  22.012  4.0166  5.859062       5.286359 
1 1 1 -17 -19 28 o 33.096  2.2844  151.999   19.989    152.604   28.565    151.418   27.981    33.151  3.2590  33.041  3.2019  0.1101303      4.568761 
1 1 1 -17 -19 29 o 12.822  2.9870  17.704    13.787    39.331    19.612    -3.4285   19.386    16.401  4.3813  9.2430  4.0611  7.157532       5.973968 
1 1 1 -17 -19 30 o 41.322  2.1905  236.791   24.035    251.934   34.235    222.073   33.751    42.668  3.0150  39.975  3.1784  2.692741       4.380917 
1 1 1 -17 -19 31 o 16.426  3.3069  39.864    15.436    32.038    21.724    47.843    21.936    14.922  4.7928  17.930  4.5577  -3.008716      6.613871 
1 1 1 -17 -19 32 f 15.940  3.4258  37.599    16.036    31.834    22.526    43.523    22.834    14.864  4.8881  17.017  4.8011  -2.152966      6.851593 
1 1 1 -17 -19 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -19 34 o 15.548  3.4224  36.103    16.137    45.228    22.548    26.521    23.104    17.218  4.7394  13.878  4.9387  3.339900       6.844895 
1 1 1 -17 -19 35 o 37.172  2.4787  197.867   24.318    186.305   34.804    208.896   33.992    35.997  3.6606  38.347  3.3429  -2.349670      4.957354 
1 1 1 -17 -19 36 o 10.547  3.0476  4.4827    14.948    19.813    19.884    -15.4449  22.670    12.374  4.5569  8.7200  4.0480  3.653651       6.095222 
1 1 1 -17 -19 37 o 30.768  2.7584  138.812   22.202    135.643   31.720    141.855   31.087    30.355  3.9987  31.181  3.8008  -0.8269176     5.516819 
1 1 1 -17 -19 38 o 17.694  3.0798  45.687    18.820    93.439    26.082    -6.1898   27.185    25.034  4.0262  10.353  4.6615  14.68075       6.159520 
1 1 1 -17 -19 39 o 13.393  3.4276  19.402    18.772    46.201    25.259    -13.6607  28.056    16.932  5.1280  9.8546  4.5494  7.076945       6.855190 
1 1 1 -17 -19 40 o 30.219  3.1937  142.113   24.992    144.461   34.428    139.497   36.336    30.666  4.3105  29.772  4.7136  0.8942757      6.387311 
1 1 1 -17 -19 41 f 14.759  3.8727  35.164    20.281    35.006    26.916    35.371    30.848    14.686  5.3180  14.831  5.6312  -0.1453581     7.745375 
1 1 1 -17 -18 1  o 40.336  1.9824  222.288   21.129    192.773   29.845    251.941   29.916    37.585  2.9894  43.087  2.6044  -5.502178      3.964736 
1 1 1 -17 -18 2  o 32.570  3.8740  146.890   33.134    146.890   33.134    0.0000    0.0000    32.570  3.8740  ?       ?       ?              ?        
1 1 1 -17 -18 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -18 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -18 5  o 65.248  2.7113  579.058   42.677    588.185   79.689    575.387   50.534    65.284  4.5863  65.212  2.8932  0.7234955E-01  5.422599 
1 1 1 -17 -18 6  o 43.569  1.9885  258.264   22.993    233.318   32.513    283.220   32.519    41.422  2.9498  45.716  2.6673  -4.294018      3.976900 
1 1 1 -17 -18 7  o 51.235  1.9970  355.958   27.292    362.733   38.493    349.109   38.702    51.734  2.7882  50.735  2.8596  0.9993477      3.993955 
1 1 1 -17 -18 8  o 50.173  1.9683  341.472   26.312    360.815   37.186    322.074   37.237    51.619  2.6989  48.727  2.8657  2.892757       3.936530 
1 1 1 -17 -18 9  o 28.574  2.6239  119.209   18.162    91.494    29.407    136.301   23.093    25.499  4.4685  31.649  2.7516  -6.149626      5.247781 
1 1 1 -17 -18 10 o 26.854  2.1820  99.088    15.341    108.401   21.688    89.762    21.703    28.168  2.9169  25.539  3.2460  2.628792       4.364012 
1 1 1 -17 -18 11 o 41.312  1.9474  231.697   21.407    236.683   29.882    226.441   30.682    41.784  2.6841  40.841  2.8221  0.9439087      3.894752 
1 1 1 -17 -18 12 o 48.236  1.9360  315.013   24.891    298.352   34.732    332.607   35.691    46.914  2.7764  49.558  2.6990  -2.644535      3.872017 
1 1 1 -17 -18 13 o 24.126  2.3064  80.473    14.478    84.708    20.154    75.958    20.811    24.828  3.0981  23.424  3.4176  1.403994       4.612839 
1 1 1 -17 -18 14 o 32.393  2.0473  142.726   17.538    130.858   24.290    155.650   25.347    30.964  2.9650  33.821  2.8238  -2.856995      4.094561 
1 1 1 -17 -18 15 o 30.427  2.7293  127.342   20.000    129.794   36.106    126.256   24.022    30.450  4.5679  30.404  2.9885  0.4615402E-01  5.458591 
1 1 1 -17 -18 16 o 14.218  4.4367  27.583    18.735    0.0000    0.0000    27.583    18.735    ?       ?       14.218  4.4367  ?              ?        
1 1 1 -17 -18 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -18 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -18 19 o 28.659  2.9404  94.218    19.584    71.884    22.370    167.523   40.526    22.661  3.8215  34.657  4.4699  -11.99659      5.880797 
1 1 1 -17 -18 20 o 69.963  2.0766  663.104   38.900    687.582   55.345    639.205   54.688    71.249  2.9001  68.677  2.9729  2.571838       4.153153 
1 1 1 -17 -18 21 o 27.378  2.2840  103.177   16.419    106.992   23.401    99.479    23.042    27.892  3.1898  26.864  3.2698  1.028042       4.567943 
1 1 1 -17 -18 22 o 59.014  2.0001  471.957   31.613    471.452   44.952    472.452   44.466    58.979  2.8455  59.050  2.8114  -0.7091904E-01 4.000114 
1 1 1 -17 -18 23 o 20.541  2.7142  59.657    14.327    72.138    20.623    48.013    19.918    22.743  3.4974  18.340  4.1515  4.403496       5.428351 
1 1 1 -17 -18 24 o 45.489  2.0837  284.510   24.991    243.068   35.699    324.339   34.997    42.132  3.1870  48.847  2.6852  -6.715065      4.167426 
1 1 1 -17 -18 25 o 66.411  2.1218  600.122   37.739    606.059   53.823    594.381   52.930    66.730  3.0113  66.091  2.9900  0.6385498      4.243577 
1 1 1 -17 -18 26 o 18.854  3.0079  51.672    14.871    42.779    21.668    59.591    20.447    17.220  4.6075  20.488  3.8677  -3.268068      6.015718 
1 1 1 -17 -18 27 o 31.159  2.3098  134.258   18.987    136.991   27.157    131.645   26.558    31.472  3.2692  30.847  3.2639  0.6248455      4.619622 
1 1 1 -17 -18 28 o 38.999  2.1420  209.017   22.178    221.317   31.789    197.352   30.958    40.139  2.9780  37.858  3.0796  2.280621       4.284020 
1 1 1 -17 -18 29 o 20.468  2.9819  61.679    15.804    46.080    22.800    76.105    21.926    17.738  4.7171  23.198  3.6492  -5.459845      5.963883 
1 1 1 -17 -18 30 o 22.541  2.8475  72.908    16.549    74.750    23.952    71.225    22.893    22.804  4.0708  22.278  3.9826  0.5258732      5.694952 
1 1 1 -17 -18 31 f 9.2148  2.8364  -3.1478   13.342    -10.6549  18.738    4.5731    19.003    8.3082  3.7916  10.121  4.2195  -1.813240      5.672787 
1 1 1 -17 -18 32 o 25.692  2.7890  94.890    18.579    96.030    26.317    93.758    26.232    25.857  3.9230  25.526  3.9653  0.3311272      5.577938 
1 1 1 -17 -18 33 o 35.763  2.3994  180.201   22.702    180.852   32.502    179.580   31.724    35.807  3.4308  35.719  3.3552  0.8834457E-01  4.798754 
1 1 1 -17 -18 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -18 35 o 19.775  3.3355  59.918    17.441    64.281    24.115    55.132    25.254    20.641  4.4896  18.910  4.9340  1.730993       6.670919 
1 1 1 -17 -18 36 o 27.587  3.0569  114.604   21.355    140.772   30.088    88.041    30.314    31.233  3.6663  23.942  4.8925  7.291662       6.113750 
1 1 1 -17 -18 37 o 10.502  3.2048  2.1983    16.459    -0.1638   23.158    4.6091    23.396    10.218  4.4654  10.786  4.5983  -0.5671635     6.409667 
1 1 1 -17 -18 38 o 19.320  3.5545  58.770    19.509    82.795    27.922    35.858    27.268    23.219  4.6519  15.422  5.3757  7.796921       7.108988 
1 1 1 -17 -18 39 o 28.005  3.2786  120.858   23.549    138.976   33.400    102.950   33.207    30.444  4.2086  25.566  5.0285  4.877707       6.557241 
1 1 1 -17 -18 40 o 10.592  3.2977  0.4438    18.197    4.9279    24.213    -5.3757   27.585    10.791  4.6413  10.392  4.6858  0.3990469      6.595326 
1 1 1 -17 -18 41 o 22.423  3.8239  84.343    22.682    77.280    30.972    92.512    33.310    21.383  5.4050  23.464  5.4107  -2.081633      7.647886 
1 1 1 -17 -17 1  o 13.480  2.2951  22.433    10.137    49.873    14.694    -2.4842   14.002    18.970  2.9909  7.9887  3.4821  10.98171       4.590291 
1 1 1 -17 -17 2  o 63.145  1.9972  539.041   33.779    539.576   47.847    538.509   47.694    63.176  2.8276  63.115  2.8213  0.6116867E-01  3.994350 
1 1 1 -17 -17 3  o 16.424  2.5719  37.449    11.033    47.271    16.552    29.594    14.801    18.366  3.4923  14.482  3.7766  3.883756       5.143810 
1 1 1 -17 -17 4  o 50.275  1.9265  342.287   25.845    339.222   36.602    345.334   36.498    50.047  2.7409  50.504  2.7079  -0.4568787     3.853004 
1 1 1 -17 -17 5  o 10.539  2.6161  13.331    9.0330    13.239    14.185    13.394    11.715    10.735  3.8645  10.343  3.5272  0.3919439      5.232132 
1 1 1 -17 -17 6  o 55.316  1.9715  413.752   29.152    421.628   41.109    405.785   41.347    55.888  2.7462  54.743  2.8295  1.144417       3.943047 
1 1 1 -17 -17 7  f 37.595  1.9595  191.762   19.591    188.720   27.532    194.882   27.884    37.290  2.7764  37.899  2.7659  -0.6087303     3.919042 
1 1 1 -17 -17 8  o 57.534  1.9847  447.573   30.520    457.953   42.919    436.954   43.410    58.254  2.7506  56.815  2.8618  1.439083       3.969368 
1 1 1 -17 -17 9  o 61.820  1.9929  515.838   32.996    513.021   46.266    518.753   47.070    61.651  2.8018  61.989  2.8350  -0.3376732     3.985824 
1 1 1 -17 -17 10 o 54.208  1.9522  397.199   28.280    404.278   39.639    389.861   40.360    54.745  2.7033  53.671  2.8173  1.073658       3.904489 
1 1 1 -17 -17 11 o 33.149  1.9619  149.918   17.175    162.605   23.983    136.560   24.608    34.633  2.6044  31.666  2.9347  2.967079       3.923724 
1 1 1 -17 -17 12 o 36.290  1.9619  178.751   18.842    158.298   26.270    200.421   27.040    34.117  2.9023  38.463  2.6407  -4.345802      3.923854 
1 1 1 -17 -17 13 o 54.344  1.9418  398.749   28.204    384.314   39.347    414.004   40.448    53.295  2.7659  55.394  2.7262  -2.098869      3.883557 
1 1 1 -17 -17 14 o 77.094  2.1303  803.828   43.962    826.484   61.719    780.494   62.636    78.213  2.9461  75.975  3.0780  2.237679       4.260689 
1 1 1 -17 -17 15 f 36.449  1.9656  180.288   19.017    167.981   26.584    193.187   27.215    35.156  2.8476  37.742  2.7102  -2.585697      3.931144 
1 1 1 -17 -17 16 o 55.121  1.9373  410.697   28.550    413.342   40.098    407.978   40.658    55.340  2.7052  54.901  2.7739  0.4394035      3.874577 
1 1 1 -17 -17 17 o 50.074  1.9399  339.533   25.918    336.414   36.456    342.721   36.853    49.841  2.7414  50.307  2.7454  -0.4656868     3.879704 
1 1 1 -17 -17 18 o 24.449  2.1993  82.204    14.057    81.817    20.374    82.556    19.419    24.375  3.1978  24.523  3.0203  -0.1477566     4.398622 
1 1 1 -17 -17 19 o 27.688  2.1263  104.951   15.512    104.008   22.102    105.867   21.777    27.557  3.0454  27.820  2.9684  -0.2633896     4.252696 
1 1 1 -17 -17 20 o 38.562  3.6004  203.943   36.757    0.0000    0.0000    203.943   36.757    ?       ?       38.562  3.6004  ?              ?        
1 1 1 -17 -17 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -17 22 o 53.520  1.9791  388.534   28.266    392.327   40.465    384.920   39.502    53.770  2.8194  53.269  2.7782  0.5013618      3.958242 
1 1 1 -17 -17 23 o 38.795  2.0340  204.413   20.947    221.676   30.456    188.915   28.857    40.362  2.8351  37.227  2.9173  3.135223       4.068010 
1 1 1 -17 -17 24 o 28.748  2.2327  112.838   16.845    125.658   24.998    102.173   22.799    30.257  3.1298  27.239  3.1850  3.017832       4.465410 
1 1 1 -17 -17 25 o 40.383  2.0651  223.242   22.098    209.701   31.983    235.613   30.568    39.162  3.0737  41.605  2.7587  -2.442688      4.130193 
1 1 1 -17 -17 26 o 49.257  2.0241  330.608   26.581    328.534   37.996    332.596   37.200    49.093  2.9024  49.420  2.8220  -0.3271217     4.048178 
1 1 1 -17 -17 27 o 67.269  2.1491  616.640   38.710    602.035   54.898    631.083   54.592    66.460  3.0839  68.079  2.9939  -1.618607      4.298110 
1 1 1 -17 -17 28 o 43.995  2.0965  264.951   24.543    278.511   35.004    251.838   34.421    45.124  2.9117  42.867  3.0171  2.257420       4.192936 
1 1 1 -17 -17 29 o 20.844  2.9345  62.682    15.791    77.660    22.571    48.322    22.101    23.458  3.7162  18.230  4.5427  5.228350       5.869067 
1 1 1 -17 -17 30 o 10.766  3.0046  8.8581    13.079    16.162    18.498    1.5558    18.495    11.875  4.3912  9.6570  4.1021  2.217732       6.009164 
1 1 1 -17 -17 31 o 20.310  3.1988  60.723    17.058    48.026    24.091    73.488    24.156    18.037  4.8719  22.582  4.1465  -4.545345      6.397542 
1 1 1 -17 -17 32 o 21.850  3.0760  71.739    17.370    44.059    24.695    98.844    24.437    17.247  5.0333  26.454  3.5374  -9.206175      6.152013 
1 1 1 -17 -17 33 o 18.420  3.3408  50.700    16.568    48.622    23.227    52.853    23.639    18.034  4.7446  18.807  4.7046  -0.7730522     6.681640 
1 1 1 -17 -17 34 o 29.765  2.7098  127.665   20.958    118.990   30.554    135.373   28.801    28.656  4.0975  30.875  3.5472  -2.219128      5.419569 
1 1 1 -17 -17 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -17 36 o 32.663  2.7318  154.392   23.408    145.349   32.634    163.975   33.595    31.622  3.9384  33.705  3.7868  -2.082985      5.463593 
1 1 1 -17 -17 37 o 24.281  3.2726  91.575    20.314    122.163   28.679    60.776    28.779    28.983  3.7846  19.579  5.3400  9.404280       6.545160 
1 1 1 -17 -17 38 o 10.616  3.1912  3.9724    16.161    11.557    21.586    -5.7021   24.380    11.325  4.5839  9.9061  4.4410  1.419144       6.382355 
1 1 1 -17 -17 39 o 22.758  3.5546  81.319    21.066    77.147    28.904    86.046    30.766    22.143  4.9926  23.373  5.0610  -1.230099      7.109140 
1 1 1 -17 -17 40 o 34.012  3.1185  178.238   26.826    214.675   37.245    138.962   38.669    38.319  3.6739  29.706  5.0400  8.612700       6.236949 
1 1 1 -17 -17 41 o 18.893  3.9142  60.238    21.054    61.544    30.709    59.079    28.922    19.025  5.6302  18.761  5.4390  0.2636280      7.828315 
1 1 1 -17 -17 42 o 22.730  3.8247  90.861    23.524    112.720   32.014    65.204    34.683    26.527  4.6766  18.933  6.0532  7.593431       7.649326 
1 1 1 -17 -16 1  o 71.646  2.0848  693.768   39.973    733.804   57.053    655.165   56.023    73.689  2.8906  69.604  3.0050  4.085571       4.169604 
1 1 1 -17 -16 2  o 83.112  2.1888  934.142   48.722    951.970   69.329    916.745   68.486    83.898  3.0851  82.326  3.1058  1.572227       4.377698 
1 1 1 -17 -16 3  o 7.2499  1.9762  1.7051    6.5384    -16.0801  11.451    10.309    7.9645    5.5951  2.6794  8.9047  2.9055  -3.309556      3.952367 
1 1 1 -17 -16 4  o 26.688  2.1055  97.274    14.786    99.626    21.354    95.108    20.494    26.996  3.0041  26.379  2.9510  0.6169014      4.211071 
1 1 1 -17 -16 5  o 29.640  2.0301  120.548   15.718    101.242   22.311    139.570   22.147    27.201  3.1187  32.080  2.5998  -4.879070      4.060168 
1 1 1 -17 -16 6  o 63.659  2.0131  546.677   34.321    556.003   48.511    537.331   48.563    64.206  2.8208  63.111  2.8728  1.095573       4.026170 
1 1 1 -17 -16 7  o 76.124  2.0963  781.980   42.743    778.200   60.409    785.771   60.488    75.939  2.9699  76.309  2.9594  -0.3705750     4.192665 
1 1 1 -17 -16 8  o 43.894  1.9043  260.325   22.265    247.560   30.996    273.935   32.004    42.775  2.7194  45.013  2.6664  -2.238033      3.808528 
1 1 1 -17 -16 9  o 78.658  2.1240  834.830   44.748    830.889   63.059    838.827   63.510    78.472  3.0002  78.844  3.0074  -0.3725510     4.247976 
1 1 1 -17 -16 10 o 35.335  1.9718  168.703   18.291    137.126   25.024    204.927   26.803    31.745  2.9778  38.925  2.5854  -7.179819      3.943573 
1 1 1 -17 -16 11 o 64.647  1.9773  563.471   34.226    569.460   47.921    557.234   48.901    65.004  2.7523  64.290  2.8398  0.7145615      3.954665 
1 1 1 -17 -16 12 o 69.475  2.0449  650.429   38.017    611.561   53.030    691.526   54.530    67.333  2.9404  71.616  2.8427  -4.283684      4.089844 
1 1 1 -17 -16 13 o 104.088 2.4415  1465.51   68.067    1447.78   95.732    1483.64   96.798    103.451 3.4549  104.726 3.4509  -1.274368      4.883095 
1 1 1 -17 -16 14 o 32.657  1.9722  144.826   17.031    130.829   23.802    159.508   24.378    31.010  2.8993  34.303  2.6744  -3.293043      3.944444 
1 1 1 -17 -16 15 o 68.000  2.0118  623.752   36.639    626.983   51.572    620.459   52.061    68.181  2.8240  67.818  2.8660  0.3628082      4.023543 
1 1 1 -17 -16 16 o 90.266  2.2736  1101.63   54.968    1111.14   77.576    1092.03   77.897    90.663  3.1946  89.869  3.2361  0.7940598      4.547259 
1 1 1 -17 -16 17 o 33.365  1.9599  151.599   17.284    136.918   24.482    166.188   24.405    31.715  2.9146  35.016  2.6211  -3.300348      3.919852 
1 1 1 -17 -16 18 o 30.712  2.0418  129.583   16.387    108.953   23.353    149.595   23.000    28.215  3.1435  33.209  2.6067  -4.994562      4.083681 
1 1 1 -17 -16 19 o 67.619  2.0182  617.515   36.546    634.519   51.907    600.801   51.463    68.547  2.8271  66.690  2.8810  1.856728       4.036430 
1 1 1 -17 -16 20 o 20.330  2.4954  57.613    13.091    59.759    18.788    55.588    18.250    20.709  3.5126  19.950  3.5453  0.7590427      4.990727 
1 1 1 -17 -16 21 o 86.735  2.2355  1018.83   51.919    1053.26   74.004    985.458   72.859    88.186  3.1330  85.284  3.1895  2.902885       4.470926 
1 1 1 -17 -16 22 o 29.119  2.8254  108.771   19.280    138.732   38.186    98.519    22.336    31.459  4.6738  26.779  3.1759  4.679852       5.650709 
1 1 1 -17 -16 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -16 24 o 53.936  1.9801  394.905   28.492    388.516   40.764    401.007   39.840    53.495  2.8553  54.378  2.7442  -0.8833733     3.960189 
1 1 1 -17 -16 25 o 49.253  2.0032  330.470   26.241    307.267   37.455    352.839   36.776    47.513  2.9578  50.993  2.7022  -3.479313      4.006304 
1 1 1 -17 -16 26 o 26.795  2.4137  100.738   16.621    84.213    24.089    115.753   22.963    24.539  3.7868  29.052  2.9938  -4.512459      4.827338 
1 1 1 -17 -16 27 o 45.724  2.0845  285.658   25.347    273.727   36.406    296.881   35.311    44.762  3.0547  46.687  2.8372  -1.924706      4.169061 
1 1 1 -17 -16 28 o 47.927  2.0904  313.551   26.695    324.478   38.122    303.038   37.392    48.756  2.9328  47.097  2.9795  1.658417       4.180749 
1 1 1 -17 -16 29 o 55.817  2.1191  426.001   31.546    444.437   44.806    407.879   44.423    57.038  2.9428  54.596  3.0500  2.442413       4.238266 
1 1 1 -17 -16 30 o 46.460  2.1448  296.379   26.503    315.900   37.626    277.157   37.337    48.019  2.9396  44.901  3.1240  3.117996       4.289586 
1 1 1 -17 -16 31 o 24.977  2.7815  89.248    17.846    78.131    25.647    99.682    24.847    23.308  4.2653  26.646  3.5712  -3.338562      5.562989 
1 1 1 -17 -16 32 o 51.852  2.2401  371.411   30.951    384.910   44.049    358.249   43.498    52.805  3.1283  50.899  3.2070  1.906151       4.480100 
1 1 1 -17 -16 33 f 21.859  3.2223  72.346    18.362    95.437    25.498    47.469    26.465    25.880  3.7908  17.838  5.2119  8.041370       6.444688 
1 1 1 -17 -16 34 o 27.576  2.9796  110.748   21.014    89.755    29.449    132.526   29.995    24.641  4.6320  30.510  3.7493  -5.869072      5.959201 
1 1 1 -17 -16 35 o 32.862  3.6894  154.079   31.913    0.0000    0.0000    154.079   31.913    ?       ?       32.862  3.6894  ?              ?        
1 1 1 -17 -16 36 o 25.545  4.3190  96.576    28.498    96.576    28.498    0.0000    0.0000    25.545  4.3190  ?       ?       ?              ?        
1 1 1 -17 -16 37 o 18.910  3.4240  56.677    19.061    83.716    26.072    25.627    27.939    23.704  4.2632  14.117  5.3592  9.587180       6.848060 
1 1 1 -17 -16 38 o 33.741  2.8171  167.110   24.857    173.779   34.237    159.676   36.148    34.620  3.7522  32.862  4.2031  1.757694       5.634233 
1 1 1 -17 -16 39 o 13.217  3.5957  18.284    18.303    5.7265    23.999    35.740    28.295    10.987  4.6699  15.447  5.4688  -4.460495      7.191371 
1 1 1 -17 -16 40 o 18.786  3.8895  57.530    21.706    76.192    30.543    38.487    30.853    21.739  5.2946  15.833  5.6993  5.906610       7.779091 
1 1 1 -17 -16 41 o 8.6147  2.8759  -21.2389  17.296    -24.9769  23.562    -16.8712  25.470    8.1354  3.8815  9.0941  4.2446  -0.9587126     5.751763 
1 1 1 -17 -16 42 o 21.470  4.0750  79.752    23.924    72.599    32.724    87.963    35.063    20.426  5.7421  22.515  5.7835  -2.089478      8.149932 
1 1 1 -17 -15 1  o 53.398  1.9106  385.154   27.245    405.738   38.588    364.691   38.474    54.869  2.6257  51.928  2.7762  2.941002       3.821196 
1 1 1 -17 -15 2  o 86.836  2.2117  1018.39   51.441    1022.79   73.048    1014.05   72.451    87.021  3.1340  86.651  3.1216  0.3697891      4.423413 
1 1 1 -17 -15 3  o 11.594  2.5333  17.896    8.7285    21.813    12.670    14.357    12.042    12.547  3.5890  10.641  3.5763  1.905947       5.066593 
1 1 1 -17 -15 4  f 67.527  1.9993  614.586   36.156    603.993   51.245    625.086   51.020    66.943  2.8580  68.111  2.7967  -1.168083      3.998673 
1 1 1 -17 -15 5  o 96.495  2.3464  1257.41   60.640    1243.02   85.999    1271.64   85.517    95.939  3.3466  97.051  3.2898  -1.111443      4.692835 
1 1 1 -17 -15 6  o 38.231  1.9620  198.282   19.792    168.507   27.650    229.566   28.342    35.239  2.9568  41.224  2.5798  -5.985100      3.923999 
1 1 1 -17 -15 7  o 79.755  2.1531  857.447   45.994    862.771   64.949    852.091   65.141    80.006  3.0308  79.505  3.0590  0.5014648      4.306176 
1 1 1 -17 -15 8  o 68.861  2.0154  638.547   37.141    603.716   52.133    674.446   52.927    66.947  2.9073  70.776  2.7919  -3.828964      4.030829 
1 1 1 -17 -15 9  o 40.584  1.8975  222.248   20.446    199.314   28.321    247.210   29.547    38.380  2.7737  42.789  2.5902  -4.409683      3.795090 
1 1 1 -17 -15 10 o 58.336  1.9192  457.884   29.979    453.141   41.799    462.909   43.021    58.027  2.6893  58.644  2.7388  -0.6168022     3.838462 
1 1 1 -17 -15 11 o 97.034  2.3204  1270.06   60.305    1258.26   84.817    1282.13   85.760    96.579  3.2787  97.490  3.2843  -0.9103546     4.640741 
1 1 1 -17 -15 12 o 48.014  1.8689  311.335   23.915    315.820   33.192    306.494   34.487    48.385  2.5704  47.643  2.7138  0.7418480      3.737831 
1 1 1 -17 -15 13 o 27.387  2.0346  101.915   14.618    88.973    20.184    116.192   21.200    25.521  3.0107  29.253  2.7376  -3.731607      4.069193 
1 1 1 -17 -15 14 o 68.150  1.9922  625.391   36.360    610.439   51.023    640.818   51.828    67.321  2.8296  68.979  2.8052  -1.658211      3.984406 
1 1 1 -17 -15 15 o 44.536  1.8825  268.025   22.343    258.376   31.545    277.740   31.651    43.722  2.7070  45.350  2.6168  -1.627903      3.765014 
1 1 1 -17 -15 16 o 61.250  1.9357  505.350   31.754    500.553   44.947    510.131   44.868    60.957  2.7529  61.542  2.7219  -0.5844765     3.871345 
1 1 1 -17 -15 17 o 67.859  1.9990  620.735   36.333    617.309   51.513    624.127   51.253    67.671  2.8420  68.048  2.8120  -0.3773041     3.998068 
1 1 1 -17 -15 18 o 47.085  1.8807  299.798   23.580    322.096   33.538    278.001   33.159    48.836  2.5730  45.333  2.7437  3.502819       3.761444 
1 1 1 -17 -15 19 o 37.013  1.9210  186.615   18.754    160.434   26.531    212.759   26.512    34.359  2.9102  39.667  2.5083  -5.307556      3.841950 
1 1 1 -17 -15 20 o 32.671  2.0083  145.045   17.328    162.248   24.926    128.957   24.105    34.579  2.7129  30.762  2.9621  3.817429       4.016701 
1 1 1 -17 -15 21 o 78.719  2.1546  837.555   45.422    856.920   64.860    818.916   63.632    79.613  3.0416  77.825  3.0526  1.788078       4.309261 
1 1 1 -17 -15 22 o 88.727  2.2691  1066.53   53.909    1048.42   76.756    1084.15   75.731    87.968  3.2576  89.485  3.1596  -1.516823      4.538192 
1 1 1 -17 -15 23 o 23.357  2.5306  75.967    14.956    99.772    21.855    55.001    20.510    26.976  3.0799  19.738  4.0162  7.238214       5.061139 
1 1 1 -17 -15 24 o 74.941  3.9764  768.872   79.531    0.0000    0.0000    768.872   79.531    ?       ?       74.941  3.9764  ?              ?        
1 1 1 -17 -15 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -15 26 o 37.241  2.1392  189.219   21.091    208.416   30.289    171.149   29.387    39.111  2.9122  35.371  3.1343  3.740208       4.278374 
1 1 1 -17 -15 27 o 92.220  2.4001  1159.14   59.274    1136.89   83.968    1181.25   83.685    91.319  3.4329  93.121  3.3552  -1.801636      4.800218 
1 1 1 -17 -15 28 o 47.612  2.1010  309.506   26.631    297.775   38.004    320.823   37.328    46.697  3.0553  48.527  2.8848  -1.830204      4.202023 
1 1 1 -17 -15 29 o 34.701  2.2436  165.440   20.600    175.726   29.478    155.623   28.799    35.781  3.1066  33.621  3.2380  2.159954       4.487285 
1 1 1 -17 -15 30 o 19.524  3.0640  55.010    15.613    51.090    22.256    58.810    21.908    18.792  4.4840  20.256  4.1767  -1.463438      6.127951 
1 1 1 -17 -15 31 o 35.999  2.3508  179.673   22.350    172.590   32.334    186.153   30.928    35.263  3.4683  36.735  3.1744  -1.472847      4.701666 
1 1 1 -17 -15 32 o 49.817  2.2028  341.721   29.238    352.679   41.762    331.186   40.947    50.611  3.0955  49.022  3.1349  1.588821       4.405638 
1 1 1 -17 -15 33 o 19.560  3.4228  56.616    17.883    50.230    24.946    63.368    25.649    18.400  4.9524  20.721  4.7260  -2.321238      6.845544 
1 1 1 -17 -15 34 o 20.684  3.3176  63.587    17.946    64.781    24.826    62.280    25.972    20.939  4.5560  20.429  4.8237  0.5097046      6.635175 
1 1 1 -17 -15 35 o 13.826  3.3080  24.208    15.909    41.314    22.145    5.9638    22.870    16.630  4.7407  11.022  4.6149  5.607139       6.616027 
1 1 1 -17 -15 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -15 37 o 43.075  2.5093  264.460   28.689    258.303   40.369    270.742   40.778    42.547  3.5755  43.604  3.5215  -1.057766      5.018505 
1 1 1 -17 -15 38 o 24.168  3.4216  90.992    21.257    103.398   28.919    76.412    31.350    26.377  4.2368  21.959  5.3739  4.417830       6.843186 
1 1 1 -17 -15 39 o 18.967  3.5319  58.699    20.481    87.806    27.422    21.977    30.801    24.104  4.4100  13.830  5.5181  10.27349       7.063816 
1 1 1 -17 -15 40 o 17.547  3.8782  49.051    20.488    39.108    28.468    59.735    29.509    15.909  5.4956  19.185  5.4735  -3.276768      7.756376 
1 1 1 -17 -15 41 o 21.760  3.5588  79.415    21.932    117.405   30.250    37.316    31.844    27.905  4.1756  15.615  5.7641  12.28974       7.117621 
1 1 1 -17 -15 42 o 26.544  2.8816  103.093   18.625    119.235   33.268    95.723    22.479    27.537  4.6778  25.550  3.3666  1.986620       5.763268 
1 1 1 -17 -15 43 o 18.972  3.3811  61.300    16.581    52.548    29.991    65.153    19.898    17.285  5.6382  20.659  3.7333  -3.374294      6.762170 
1 1 1 -17 -14 1  o 111.082 2.5499  1668.35   75.864    1691.84   107.893   1645.38   106.693   111.857 3.6012  110.307 3.6111  1.549637       5.099874 
1 1 1 -17 -14 2  o 21.510  2.1892  63.683    12.198    70.762    17.428    56.884    17.079    22.734  2.9302  20.286  3.2532  2.447565       4.378317 
1 1 1 -17 -14 3  o 42.707  1.8896  246.383   21.503    242.510   30.486    250.218   30.335    42.367  2.7005  43.046  2.6438  -0.6783218     3.779217 
1 1 1 -17 -14 4  o 86.701  2.1981  1012.82   51.042    1006.93   72.484    1018.61   71.889    86.448  3.1304  86.955  3.0866  -0.5072937     4.396208 
1 1 1 -17 -14 5  o 72.317  2.0614  703.942   39.929    709.873   56.456    698.005   56.481    72.623  2.9023  72.011  2.9283  0.6128616      4.122893 
1 1 1 -17 -14 6  o 60.671  1.9431  495.128   31.574    496.777   44.413    493.442   44.895    60.775  2.7283  60.567  2.7674  0.2080498      3.886158 
1 1 1 -17 -14 7  o 28.099  2.0608  108.114   14.965    84.235    20.876    133.355   21.464    24.804  3.2181  31.393  2.5752  -6.589241      4.121641 
1 1 1 -17 -14 8  o 95.840  2.3080  1237.25   59.246    1220.29   83.569    1254.39   84.005    95.177  3.2781  96.503  3.2500  -1.325638      4.616099 
1 1 1 -17 -14 9  o 97.057  2.3216  1268.84   60.351    1259.14   84.922    1278.74   85.782    96.683  3.2793  97.431  3.2871  -0.7481766     4.643156 
1 1 1 -17 -14 10 o 103.603 2.4255  1446.77   67.299    1463.69   94.823    1429.60   95.530    104.219 3.3969  102.986 3.4632  1.233185       4.850987 
1 1 1 -17 -14 11 o 23.513  2.2761  78.169    13.386    98.923    18.586    55.802    19.295    27.005  2.6017  20.020  3.7355  6.984776       4.552272 
1 1 1 -17 -14 12 o 119.158 2.6576  1916.22   84.818    1892.08   119.395   1940.81   120.515   118.399 3.7649  119.917 3.7521  -1.518036      5.315286 
1 1 1 -17 -14 13 o 96.211  2.3051  1246.98   59.395    1219.57   83.537    1275.00   84.466    95.139  3.2782  97.283  3.2416  -2.144539      4.610227 
1 1 1 -17 -14 14 f 154.385 3.1959  3230.60   132.136   3295.24   186.767   3165.81   186.969   155.951 4.4712  152.819 4.5678  3.132004       6.391877 
1 1 1 -17 -14 15 o 70.790  2.0101  674.495   38.107    688.067   53.910    660.940   53.873    71.506  2.8148  70.075  2.8703  1.430428       4.020116 
1 1 1 -17 -14 16 o 63.305  1.9332  539.265   32.778    540.131   46.532    538.413   46.180    63.354  2.7421  63.255  2.7257  0.9903717E-01  3.866305 
1 1 1 -17 -14 17 o 23.006  2.1756  72.702    13.041    68.580    18.586    76.700    18.304    22.330  3.1989  23.682  2.9496  -1.352072      4.351162 
1 1 1 -17 -14 18 o 18.961  2.4643  50.084    12.031    56.634    17.243    43.870    16.795    20.230  3.2957  17.693  3.6646  2.536690       4.928603 
1 1 1 -17 -14 19 o 20.226  2.4616  56.699    12.738    70.498    18.613    44.542    17.471    22.643  3.1547  17.809  3.7796  4.834555       4.923148 
1 1 1 -17 -14 20 o 56.101  1.9228  424.024   28.873    426.655   41.675    421.596   40.039    56.263  2.7655  55.940  2.6722  0.3227768      3.845581 
1 1 1 -17 -14 21 o 31.468  2.0158  134.650   16.779    134.833   24.428    134.487   23.086    31.474  2.9313  31.461  2.7678  0.1334763E-01  4.031507 
1 1 1 -17 -14 22 o 71.145  2.0741  684.043   39.498    663.601   56.294    703.865   55.433    70.084  2.9989  72.206  2.8662  -2.122177      4.148280 
1 1 1 -17 -14 23 o 45.130  1.9486  275.810   23.435    282.612   33.613    269.376   32.690    45.672  2.7607  44.588  2.7506  1.084293       3.897120 
1 1 1 -17 -14 24 o 70.588  2.1062  675.262   39.743    632.615   56.583    716.788   55.835    68.358  3.0904  72.819  2.8626  -4.461433      4.212497 
1 1 1 -17 -14 25 o 70.358  2.1384  670.413   40.291    668.203   57.487    672.547   56.485    70.236  3.0558  70.480  2.9921  -0.2443695     4.276759 
1 1 1 -17 -14 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -14 27 o 49.221  2.0377  329.455   26.733    324.210   38.195    334.492   37.430    48.822  2.9344  49.619  2.8280  -0.7975197     4.075350 
1 1 1 -17 -14 28 o 80.002  2.3047  871.919   49.322    822.779   69.856    920.769   69.648    77.714  3.3560  82.290  3.1599  -4.576782      4.609487 
1 1 1 -17 -14 29 o 40.041  2.2032  219.837   23.269    252.515   33.315    188.712   32.514    43.023  2.9081  37.059  3.3105  5.964745       4.406360 
1 1 1 -17 -14 30 o 10.473  2.9809  7.3782    12.919    11.096    17.424    2.8389    19.253    10.887  4.2073  10.059  4.2241  0.8282433      5.961877 
1 1 1 -17 -14 31 o 54.553  2.1804  407.746   31.725    404.225   45.143    411.182   44.595    54.306  3.1166  54.799  3.0503  -0.4929276     4.360877 
1 1 1 -17 -14 32 o 34.532  2.4068  165.519   21.958    158.904   30.943    172.230   31.164    33.808  3.4661  35.255  3.3401  -1.446495      4.813520 
1 1 1 -17 -14 33 o 7.9277  2.5730  -12.3564  12.584    -6.2219   17.009    -19.7757  18.705    8.3240  3.7221  7.5315  3.5536  0.7924695      5.146058 
1 1 1 -17 -14 34 o 10.387  3.1180  0.1177    15.455    -9.7782   21.193    11.359    22.587    9.0221  4.0840  11.752  4.7127  -2.729621      6.236024 
1 1 1 -17 -14 35 o 20.497  3.3489  64.862    18.563    86.844    25.397    39.644    27.202    24.529  4.0036  16.466  5.3695  8.063274       6.697789 
1 1 1 -17 -14 36 o 57.586  2.4079  465.764   36.972    472.805   52.596    458.886   51.983    58.022  3.3992  57.149  3.4115  0.8726654      4.815888 
1 1 1 -17 -14 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -14 38 o 43.699  2.5683  273.684   29.785    268.418   41.991    279.016   42.256    43.252  3.6589  44.145  3.6052  -0.8924446     5.136612 
1 1 1 -17 -14 39 o 15.642  3.7535  36.561    18.799    30.449    25.549    43.776    27.759    14.550  5.1917  16.734  5.4222  -2.184050      7.506975 
1 1 1 -17 -14 40 o 21.592  3.1831  79.271    16.724    50.252    29.799    92.614    20.207    17.676  5.6066  25.509  3.0157  -7.833500      6.366220 
1 1 1 -17 -14 41 o 9.3948  2.8427  0.1371    11.378    12.755    22.190    -4.3637   13.252    11.491  4.6487  7.2989  3.2731  4.191904       5.685388 
1 1 1 -17 -14 42 o 35.867  2.5901  188.461   22.999    191.910   39.851    186.738   28.162    35.540  4.2719  36.194  2.9301  -0.6542435     5.180221 
1 1 1 -17 -14 43 o 14.688  3.2811  23.996    14.134    63.359    27.486    9.8443    16.481    19.397  5.1890  9.9793  4.0172  9.417520       6.562242 
1 1 1 -17 -13 1  o 126.668 2.7866  2168.35   94.541    2185.38   134.252   2151.60   133.158   127.161 3.9416  126.175 3.9401  0.9860764      5.573205 
1 1 1 -17 -13 2  o 145.016 3.0275  2844.57   117.582   2901.70   166.993   2788.40   165.589   146.468 4.2566  143.564 4.3062  2.904556       6.054961 
1 1 1 -17 -13 3  o 88.630  2.2361  1057.45   53.082    1060.12   75.376    1054.81   74.765    88.740  3.1712  88.520  3.1533  0.2198715      4.472133 
1 1 1 -17 -13 4  o 80.039  2.1289  861.809   45.638    857.192   64.676    866.387   64.408    79.824  3.0250  80.254  2.9963  -0.4303970     4.257746 
1 1 1 -17 -13 5  o 64.354  1.9720  556.681   33.990    557.485   47.848    555.862   48.294    64.402  2.7738  64.306  2.8039  0.9635925E-01  3.944068 
1 1 1 -17 -13 6  o 112.667 2.5533  1710.16   77.053    1708.84   109.092   1711.47   108.848   112.623 3.6164  112.712 3.6055  -0.8863831E-01 5.106644 
1 1 1 -17 -13 7  o 58.694  1.9180  463.366   30.121    481.567   42.246    444.548   42.957    59.873  2.6343  57.515  2.7885  2.357979       3.836056 
1 1 1 -17 -13 8  o 13.222  2.6189  24.178    10.037    14.802    14.586    32.613    13.834    11.180  3.9296  15.264  3.4631  -4.084454      5.237858 
1 1 1 -17 -13 9  o 119.631 2.5964  1928.56   83.165    1983.57   117.344   1873.04   117.884   121.357 3.6100  117.904 3.7328  3.452820       5.192895 
1 1 1 -17 -13 10 o 20.937  2.3662  60.432    12.809    56.562    17.939    64.457    18.296    20.223  3.4347  21.651  3.2557  -1.428469      4.732477 
1 1 1 -17 -13 11 o 10.380  2.6589  11.816    9.5920    8.7931    13.764    14.670    13.374    9.8106  3.7527  10.950  3.7677  -1.139497      5.317758 
1 1 1 -17 -13 12 o 161.068 3.2785  3508.41   141.427   3555.21   199.619   3461.24   200.401   162.160 4.5959  159.976 4.6769  2.184189       6.557072 
1 1 1 -17 -13 13 o 75.856  2.0579  773.767   41.805    786.676   58.966    760.721   59.279    76.495  2.8779  75.216  2.9424  1.279022       4.115823 
1 1 1 -17 -13 14 o 141.063 2.9774  2687.68   112.496   2692.17   159.097   2683.20   159.090   141.182 4.2072  140.944 4.2141  0.2373047      5.954792 
1 1 1 -17 -13 15 o 76.052  2.0555  777.912   41.869    790.488   59.324    765.431   59.100    76.666  2.8889  75.438  2.9249  1.228836       4.111049 
1 1 1 -17 -13 16 o 20.420  2.4091  58.460    12.534    46.013    17.860    70.541    17.595    18.132  3.7990  22.708  2.9634  -4.575665      4.818148 
1 1 1 -17 -13 17 o 57.498  1.8793  444.552   28.932    443.954   41.474    445.118   40.379    57.457  2.6949  57.539  2.6200  -0.8179855E-01 3.758568 
1 1 1 -17 -13 18 o 45.533  1.9018  281.938   22.876    241.006   32.780    320.795   31.938    42.213  2.9171  48.853  2.4408  -6.640839      3.803527 
1 1 1 -17 -13 19 o 70.212  2.0198  663.565   37.975    672.742   54.450    654.874   52.989    70.682  2.8761  69.742  2.8366  0.9398422      4.039573 
1 1 1 -17 -13 20 o 76.100  2.0786  780.331   42.361    785.393   60.554    775.479   59.283    76.338  2.9615  75.862  2.9175  0.4763184      4.157201 
1 1 1 -17 -13 21 o 48.624  1.9153  319.128   24.820    339.993   35.665    299.534   34.562    50.175  2.6633  47.073  2.7532  3.102821       3.830551 
1 1 1 -17 -13 22 o 23.220  2.3485  74.541    14.035    87.832    20.126    61.959    19.582    25.333  3.0260  21.107  3.5924  4.225965       4.696996 
1 1 1 -17 -13 23 o 50.797  1.9787  349.030   26.811    354.956   38.460    343.428   37.395    51.214  2.8145  50.379  2.7820  0.8348427      3.957362 
1 1 1 -17 -13 24 o 42.560  2.0205  246.900   22.779    226.415   32.887    265.789   31.581    40.813  3.0300  44.306  2.6737  -3.492195      4.041008 
1 1 1 -17 -13 25 o 28.085  2.2609  108.311   16.680    104.891   23.933    111.542   23.261    27.627  3.2995  28.544  3.0919  -0.9165783     4.521785 
1 1 1 -17 -13 26 o 76.329  2.1972  789.450   44.919    793.614   63.945    785.394   63.114    76.524  3.1197  76.134  3.0950  0.3902283      4.394470 
1 1 1 -17 -13 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -13 28 o 69.641  2.1855  658.777   40.742    639.698   58.017    677.341   57.227    68.626  3.1563  70.657  3.0238  -2.031067      4.371026 
1 1 1 -17 -13 29 o 12.257  2.8531  14.494    12.647    35.773    18.280    -5.0403   17.515    15.846  4.2284  8.6669  3.8318  7.179139       5.706297 
1 1 1 -17 -13 30 o 43.243  2.2445  256.318   25.777    271.557   36.449    241.070   36.460    44.566  3.0722  41.919  3.2732  2.646889       4.489091 
1 1 1 -17 -13 31 o 41.444  2.2350  235.755   24.589    251.203   35.052    220.788   34.503    42.814  3.0771  40.074  3.2422  2.740208       4.469927 
1 1 1 -17 -13 32 o 77.675  2.3624  827.859   49.141    846.334   69.502    809.389   69.491    78.562  3.3029  76.787  3.3787  1.775452       4.724894 
1 1 1 -17 -13 33 o 19.428  3.2935  55.697    17.027    64.544    23.579    46.056    24.615    21.125  4.3131  17.732  4.9784  3.393230       6.586949 
1 1 1 -17 -13 34 o 15.499  3.5017  33.342    16.722    23.699    23.000    44.153    24.355    13.684  4.9213  17.315  4.9828  -3.631768      7.003437 
1 1 1 -17 -13 35 o 16.603  3.5207  39.644    17.028    30.600    22.842    50.957    25.547    14.764  4.9256  18.443  5.0319  -3.678350      7.041382 
1 1 1 -17 -13 36 o 21.298  3.3251  67.904    18.508    58.079    25.894    78.168    26.465    19.593  4.9363  23.004  4.4562  -3.410696      6.650164 
1 1 1 -17 -13 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -13 38 o 13.085  3.6408  15.865    17.946    8.2412    21.971    31.150    31.109    11.023  4.5612  15.147  5.6761  -4.124778      7.281685 
1 1 1 -17 -13 39 o 16.928  3.1077  48.590    14.703    22.748    26.985    59.501    17.535    13.576  5.2388  20.281  3.3446  -6.704968      6.215428 
1 1 1 -17 -13 40 o 22.971  3.0550  80.696    17.152    76.018    29.327    83.128    21.146    21.962  5.0856  23.981  3.3864  -2.018698      6.109963 
1 1 1 -17 -13 41 o 14.113  3.3607  27.797    14.056    36.483    25.798    24.129    16.763    15.392  5.2342  12.833  4.2166  2.559360       6.721303 
1 1 1 -17 -13 42 o 16.442  3.1139  47.535    15.291    15.635    28.031    61.050    18.245    12.550  5.1686  20.335  3.4745  -7.785799      6.227879 
1 1 1 -17 -13 43 o 25.281  3.2106  106.754   18.920    83.675    33.540    117.525   22.914    22.059  5.6512  28.503  3.0486  -6.443926      6.421111 
1 1 1 -17 -12 1  o 211.402 4.1772  6083.07   236.527   6073.81   335.226   6092.25   333.779   211.231 5.9250  211.572 5.8900  -0.3405609     8.354491 
1 1 1 -17 -12 2  o 159.162 3.2831  3425.01   139.951   3390.03   198.484   3459.60   197.363   158.341 4.6799  159.982 4.6058  -1.640503      6.566236 
1 1 1 -17 -12 3  o 35.876  1.9324  175.020   18.244    201.415   25.751    148.418   25.852    38.650  2.5008  33.101  2.9467  5.549770       3.864860 
1 1 1 -17 -12 4  o 140.474 3.7135  2676.43   131.556   2686.19   161.157   2656.94   227.765   141.117 4.2637  139.830 6.0813  1.286774       7.427051 
1 1 1 -17 -12 5  o 101.177 4.5601  1381.84   123.579   1381.84   123.579   0.0000    0.0000    101.177 4.5601  ?       ?       ?              ?        
1 1 1 -17 -12 6  o 165.963 6.6471  3749.25   295.483   3749.25   295.483   0.0000    0.0000    165.963 6.6471  ?       ?       ?              ?        
1 1 1 -17 -12 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -12 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -12 9  o 134.699 5.5940  2457.18   201.823   2457.18   201.823   0.0000    0.0000    134.699 5.5940  ?       ?       ?              ?        
1 1 1 -17 -12 10 f 21.145  3.3421  66.049    15.882    69.609    17.957    53.258    34.038    22.558  3.0502  19.733  5.9476  2.824190       6.684153 
1 1 1 -17 -12 11 o 107.475 2.4505  1553.73   70.538    1552.09   99.264    1555.40   100.256   107.420 3.4500  107.530 3.4809  -0.1103592     4.900930 
1 1 1 -17 -12 12 o 121.386 2.6485  1983.93   86.098    2014.37   121.509   1953.23   122.014   122.328 3.7085  120.444 3.7821  1.883293       5.296909 
1 1 1 -17 -12 13 o 102.729 2.4066  1419.70   66.218    1433.27   93.590    1406.10   93.702    103.222 3.3850  102.235 3.4219  0.9878311      4.813285 
1 1 1 -17 -12 14 o 133.527 2.8645  2403.58   102.448   2405.94   145.023   2401.24   144.745   133.592 4.0529  133.462 4.0491  0.1296082      5.728979 
1 1 1 -17 -12 15 f 132.291 2.8339  2359.72   100.407   2404.00   142.337   2315.87   141.660   133.532 3.9796  131.049 4.0357  2.482712       5.667871 
1 1 1 -17 -12 16 o 40.180  1.8712  218.114   19.994    210.682   28.749    225.077   27.826    39.503  2.7339  40.856  2.5556  -1.353153      3.742324 
1 1 1 -17 -12 17 o 43.360  1.8777  253.368   21.562    292.747   31.169    217.229   29.860    46.617  2.5055  40.103  2.7974  6.514114       3.755368 
1 1 1 -17 -12 18 o 57.978  1.9073  452.127   29.589    445.555   42.637    458.233   41.097    57.565  2.7653  58.390  2.6278  -0.8244591     3.814671 
1 1 1 -17 -12 19 o 25.006  2.1664  85.397    14.147    85.753    20.984    85.101    19.154    25.031  3.2032  24.981  2.9177  0.5081177E-01  4.332853 
1 1 1 -17 -12 20 o 104.903 2.4581  1484.85   69.066    1485.09   98.153    1484.61   97.201    104.908 3.4931  104.899 3.4595  0.9323120E-02  4.916257 
1 1 1 -17 -12 21 o 53.114  1.9045  380.212   27.035    379.473   38.768    380.911   37.720    53.024  2.7390  53.203  2.6470  -0.1791000     3.808996 
1 1 1 -17 -12 22 o 73.846  2.1080  736.477   41.624    695.577   59.353    776.057   58.388    71.807  3.0859  75.885  2.8726  -4.077049      4.216043 
1 1 1 -17 -12 23 o 67.666  2.0970  620.558   37.790    548.801   53.736    690.774   53.155    63.747  3.1471  71.586  2.7722  -7.838722      4.194018 
1 1 1 -17 -12 24 o 65.985  2.1077  588.561   37.215    568.089   53.163    608.233   52.113    64.844  3.0609  67.126  2.8984  -2.282379      4.215479 
1 1 1 -17 -12 25 o 53.267  2.0663  385.993   29.238    348.893   42.016    420.826   40.712    50.693  3.1094  55.841  2.7220  -5.147488      4.132528 
1 1 1 -17 -12 26 o 103.431 2.5514  1454.37   70.669    1424.86   100.164   1483.61   99.720    102.367 3.6531  104.495 3.5628  -2.127693      5.102849 
1 1 1 -17 -12 27 o 49.341  2.1076  330.224   27.695    350.634   40.078    311.572   38.314    50.808  2.9578  47.874  3.0031  2.934032       4.215153 
1 1 1 -17 -12 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -12 29 o 40.147  2.1903  219.848   23.348    233.202   33.669    207.479   32.404    41.335  3.0628  38.959  3.1318  2.375957       4.380517 
1 1 1 -17 -12 30 f 39.553  2.2433  214.628   23.471    236.185   33.297    193.336   33.091    41.586  3.0097  37.519  3.3273  4.066467       4.486560 
1 1 1 -17 -12 31 o 31.002  2.5515  133.653   20.682    148.027   29.369    119.511   29.131    32.740  3.3986  29.265  3.8065  3.474905       5.102903 
1 1 1 -17 -12 32 o 16.578  3.2184  39.974    15.380    53.383    20.979    24.395    22.614    19.275  4.1837  13.880  4.8917  5.394433       6.436734 
1 1 1 -17 -12 33 o 13.568  3.0548  23.363    14.141    40.726    19.147    2.5273    20.976    16.770  4.2556  10.365  4.3838  6.405535       6.109633 
1 1 1 -17 -12 34 o 22.984  2.9951  75.766    17.723    67.432    24.215    85.380    26.009    21.560  4.3434  24.409  4.1252  -2.848732      5.990175 
1 1 1 -17 -12 35 o 43.662  2.4332  266.111   28.197    268.003   39.118    264.065   40.682    43.868  3.3546  43.456  3.5255  0.4114265      4.866464 
1 1 1 -17 -12 36 o 49.168  2.4470  340.719   31.766    380.996   44.538    299.013   45.321    52.317  3.1937  46.020  3.7082  6.296276       4.893913 
1 1 1 -17 -12 37 o 20.430  2.9606  56.746    15.092    81.875    26.238    44.322    18.449    23.554  4.3181  17.307  4.0514  6.246407       5.921118 
1 1 1 -17 -12 38 o 15.294  5.0088  34.763    23.660    34.763    23.660    0.0000    0.0000    15.294  5.0088  ?       ?       ?              ?        
1 1 1 -17 -12 39 o 19.691  3.0621  56.315    14.973    66.193    26.252    51.553    18.228    20.701  4.8239  18.680  3.7729  2.020969       6.124159 
1 1 1 -17 -12 40 o 7.9190  2.5310  -4.6183   10.690    -14.2577  20.444    -0.9911   12.541    8.2710  3.8411  7.5670  3.2969  0.7039752      5.061992 
1 1 1 -17 -12 41 o 26.733  2.8297  106.139   18.521    105.594   31.615    106.424   22.853    26.217  4.6735  27.249  3.1916  -1.031437      5.659307 
1 1 1 -17 -12 42 o 9.6314  2.9330  3.4954    12.673    -0.5499   24.137    5.0349    14.890    10.237  4.5136  9.0254  3.7465  1.212104       5.865918 
1 1 1 -17 -12 43 o 15.431  3.2361  26.291    14.397    70.621    27.728    9.9293    16.845    20.759  5.0378  10.103  4.0634  10.65611       6.472267 
1 1 1 -17 -12 44 o 23.903  3.3667  100.462   19.669    71.507    33.274    116.013   24.385    19.831  5.8584  27.974  3.3191  -8.143595      6.733311 
1 1 1 -17 -11 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -11 2  o 161.273 4.7781  3542.25   206.179   3486.55   297.074   3594.01   286.381   159.981 6.9328  162.566 6.5770  -2.584106      9.556143 
1 1 1 -17 -11 3  o 49.363  1.8606  328.138   24.502    335.440   34.478    320.689   34.827    49.924  2.5873  48.802  2.6745  1.121475       3.721139 
1 1 1 -17 -11 4  o 55.632  1.9084  415.413   28.435    411.279   39.924    419.669   40.508    55.351  2.6929  55.912  2.7048  -0.5611572     3.816780 
1 1 1 -17 -11 5  o 101.176 2.3429  1375.66   63.493    1372.39   89.847    1378.92   89.737    101.055 3.3194  101.296 3.3074  -0.2414856     4.685873 
1 1 1 -17 -11 6  o 33.959  1.8788  155.788   16.937    157.385   23.520    154.068   24.411    34.148  2.5908  33.771  2.7218  0.3774910      3.757698 
1 1 1 -17 -11 7  o 22.479  2.2014  69.242    12.867    70.627    17.719    67.698    18.716    22.741  2.9807  22.217  3.2405  0.5241566      4.402858 
1 1 1 -17 -11 8  o 104.672 2.3818  1472.44   66.768    1487.73   94.036    1456.90   94.816    105.223 3.3365  104.121 3.3998  1.102425       4.763512 
1 1 1 -17 -11 9  o 150.600 3.1212  3055.56   125.883   3103.64   177.580   3006.99   178.474   151.800 4.3675  149.400 4.4600  2.400574       6.242336 
1 1 1 -17 -11 10 o 154.824 3.1640  3229.70   131.185   3150.81   185.024   3309.46   186.027   152.914 4.5174  156.734 4.4312  -3.820557      6.327946 
1 1 1 -17 -11 11 o 31.237  2.3332  128.771   18.236    144.403   31.934    121.207   22.214    32.557  3.7293  29.917  2.8050  2.639784       4.666453 
1 1 1 -17 -11 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -11 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -11 14 o 60.778  3.8697  499.232   62.668    499.232   62.668    0.0000    0.0000    60.778  3.8697  ?       ?       ?              ?        
1 1 1 -17 -11 15 o 74.188  2.0292  739.335   40.315    737.923   57.567    740.693   56.476    74.117  2.8998  74.260  2.8394  -0.1436386     4.058437 
1 1 1 -17 -11 16 o 105.902 2.4357  1509.27   69.070    1483.67   98.315    1534.22   97.056    105.007 3.4955  106.796 3.3929  -1.788345      4.871425 
1 1 1 -17 -11 17 o 106.180 2.4376  1517.11   69.320    1532.86   98.797    1501.83   97.286    106.722 3.4562  105.639 3.4383  1.082802       4.875172 
1 1 1 -17 -11 18 o 122.218 2.6904  2013.23   88.070    2037.70   125.220   1989.27   123.889   122.954 3.8023  121.483 3.8074  1.471008       5.380862 
1 1 1 -17 -11 19 o 49.209  1.8895  326.410   24.795    325.660   35.701    327.108   34.462    49.148  2.7225  49.270  2.6208  -0.1213264     3.779014 
1 1 1 -17 -11 20 o 130.927 2.8452  2315.90   99.773    2299.31   141.519   2332.30   140.686   130.454 4.0501  131.401 3.9973  -0.9474030     5.690500 
1 1 1 -17 -11 21 o 35.211  1.9804  167.568   18.501    173.625   26.979    162.191   25.420    35.809  2.8360  34.612  2.7651  1.197197       3.960881 
1 1 1 -17 -11 22 o 68.057  2.0384  624.086   37.137    610.783   53.035    636.885   52.019    67.337  2.9405  68.776  2.8238  -1.439217      4.076770 
1 1 1 -17 -11 23 o 56.005  1.9960  423.318   29.866    418.112   42.902    428.213   41.601    55.625  2.8894  56.384  2.7546  -0.7584381     3.992095 
1 1 1 -17 -11 24 o 57.467  2.0397  446.944   31.260    417.702   44.561    475.278   43.863    55.554  3.0058  59.380  2.7578  -3.825645      4.079308 
1 1 1 -17 -11 25 o 70.962  2.1393  680.564   40.645    668.027   57.968    692.688   57.006    70.308  3.0782  71.616  2.9718  -1.307861      4.278679 
1 1 1 -17 -11 26 o 26.967  2.4520  100.744   17.151    88.064    24.402    113.122   24.110    25.197  3.7282  28.737  3.1859  -3.540207      4.903989 
1 1 1 -17 -11 27 o 50.501  2.0584  345.999   27.717    358.002   39.494    334.350   38.908    51.373  2.8818  49.629  2.9400  1.744316       4.116883 
1 1 1 -17 -11 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -11 29 o 47.190  2.9592  304.331   33.263    299.927   39.206    315.643   62.841    46.900  3.1391  47.481  5.0172  -0.5810509     5.918335 
1 1 1 -17 -11 30 o 72.389  2.2726  713.749   44.013    745.393   61.847    681.280   62.647    74.050  3.1182  70.729  3.3069  3.321404       4.545170 
1 1 1 -17 -11 31 o 47.976  2.2105  314.796   28.236    325.758   39.911    303.811   39.952    48.834  3.0668  47.118  3.1843  1.716431       4.421007 
1 1 1 -17 -11 32 o 34.541  2.4308  165.015   22.176    169.967   31.229    159.977   31.496    35.091  3.3638  33.990  3.5101  1.101017       4.861627 
1 1 1 -17 -11 33 o 23.824  3.0154  83.183    18.212    97.280    24.627    66.167    27.056    26.360  3.5807  21.289  4.8528  5.070629       6.030802 
1 1 1 -17 -11 34 o 29.399  2.8351  123.835   21.218    151.415   30.008    96.256    30.007    32.966  3.4495  25.833  4.5003  7.133432       5.670234 
1 1 1 -17 -11 35 o 55.921  2.1815  436.952   31.867    398.484   49.064    465.020   41.910    53.529  3.4403  58.314  2.6832  -4.785702      4.362910 
1 1 1 -17 -11 36 f 34.662  2.2231  163.551   20.029    187.682   32.315    148.499   25.522    36.621  3.3309  32.702  2.9453  3.918865       4.446254 
1 1 1 -17 -11 37 o 53.057  2.2001  392.835   30.482    390.206   48.042    394.607   39.437    52.690  3.4227  53.424  2.7655  -0.7342720     4.400286 
1 1 1 -17 -11 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -11 39 o 26.501  2.7110  101.169   17.968    107.208   30.022    97.798    22.429    26.833  4.3241  26.169  3.2712  0.6639442      5.422081 
1 1 1 -17 -11 40 o 10.271  2.7427  -0.4790   10.752    30.592    20.268    -12.6482  12.684    14.309  4.6329  6.2341  2.9368  8.074719       5.485320 
1 1 1 -17 -11 41 o 9.8388  2.9110  5.6661    11.990    6.6966    21.859    5.2226    14.340    10.702  4.4979  8.9758  3.6967  1.725939       5.822093 
1 1 1 -17 -11 42 o 16.846  3.4771  43.843    15.871    48.999    28.231    41.460    19.190    17.331  5.4524  16.361  4.3165  0.9703846      6.954231 
1 1 1 -17 -11 43 o 14.821  3.4331  28.830    14.863    53.712    27.712    18.783    17.610    17.919  5.3588  11.722  4.2928  6.197467       6.866156 
1 1 1 -17 -11 44 o 31.351  2.7727  137.183   21.620    196.937   38.786    110.247   26.041    35.703  4.1323  27.000  3.6981  8.702738       5.545435 
1 1 1 -17 -10 1  o 87.908  2.2062  1038.03   51.943    1054.95   73.702    1021.34   73.218    88.621  3.1050  87.195  3.1350  1.425652       4.412381 
1 1 1 -17 -10 2  f 146.825 3.0391  2902.58   119.513   2945.18   169.562   2860.52   168.476   147.898 4.2803  145.751 4.3156  2.147430       6.078269 
1 1 1 -17 -10 3  o 105.841 2.4354  1505.72   69.014    1459.33   97.759    1551.82   97.442    104.209 3.5024  107.473 3.3850  -3.263374      4.870821 
1 1 1 -17 -10 4  o 128.090 2.8000  2207.06   96.034    2146.20   135.916   2267.74   135.708   126.319 4.0171  129.862 3.9015  -3.543457      5.599919 
1 1 1 -17 -10 5  o 72.099  1.9927  697.555   38.459    665.513   54.025    730.476   54.761    70.418  2.8643  73.780  2.7710  -3.361908      3.985330 
1 1 1 -17 -10 6  o 127.469 2.7480  2184.43   93.824    2183.97   132.531   2184.89   132.844   127.456 3.8821  127.482 3.8905  -0.2593994E-01 5.496068 
1 1 1 -17 -10 7  o 129.346 2.7510  2249.20   95.305    2253.89   134.444   2244.46   135.123   129.484 3.8765  129.209 3.9043  0.2748260      5.501906 
1 1 1 -17 -10 8  o 135.019 2.8240  2451.37   102.124   2464.89   143.978   2437.68   144.877   135.397 3.9701  134.641 4.0173  0.7558746      5.647996 
1 1 1 -17 -10 9  o 43.545  1.7983  254.964   20.872    244.499   29.024    266.173   30.036    42.616  2.5544  44.473  2.5319  -1.856998      3.596646 
1 1 1 -17 -10 10 o 32.481  1.8824  142.788   16.187    153.576   22.807    131.838   22.978    33.740  2.5423  31.222  2.7766  2.518341       3.764703 
1 1 1 -17 -10 11 o 66.309  1.9300  590.039   34.272    576.162   48.392    604.002   48.543    65.526  2.7572  67.093  2.7012  -1.567062      3.859918 
1 1 1 -17 -10 12 o 126.157 2.7154  2139.94   91.756    2144.77   129.932   2135.14   129.594   126.299 3.8409  126.015 3.8395  0.2837372      5.430810 
1 1 1 -17 -10 13 o 107.700 2.4474  1558.59   70.599    1568.14   100.139   1549.17   99.549    108.027 3.4608  107.372 3.4614  0.6554947      4.894775 
1 1 1 -17 -10 14 o 89.232  2.2246  1070.16   53.135    1037.36   75.674    1102.06   74.626    87.877  3.2150  90.588  3.0756  -2.711037      4.449228 
1 1 1 -17 -10 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -10 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -10 17 o 141.984 2.9597  2716.82   112.544   2777.45   159.781   2657.12   158.549   143.563 4.1552  140.406 4.2159  3.157211       5.919418 
1 1 1 -17 -10 18 o 96.869  2.3373  1262.09   60.638    1261.31   86.384    1262.84   85.139    96.836  3.3305  96.901  3.2803  -0.6499481E-01 4.674636 
1 1 1 -17 -10 19 o 86.514  2.2127  1006.21   51.264    1033.64   73.278    979.903   71.744    87.669  3.1206  85.358  3.1380  2.311455       4.425499 
1 1 1 -17 -10 20 o 16.973  2.8216  40.228    12.683    48.612    18.374    32.598    17.529    18.654  3.8064  15.293  4.1662  3.361322       5.643187 
1 1 1 -17 -10 21 o 47.319  1.9816  303.684   24.870    279.439   36.014    325.786   34.385    45.476  2.9730  49.163  2.6207  -3.686531      3.963158 
1 1 1 -17 -10 22 o 31.537  2.1301  136.836   17.442    110.409   24.883    162.364   24.456    28.428  3.3311  34.645  2.6557  -6.217445      4.260139 
1 1 1 -17 -10 23 o 45.380  1.9980  278.367   24.148    278.053   34.787    278.659   33.547    45.348  2.8789  45.413  2.7712  -0.6538391E-01 3.995923 
1 1 1 -17 -10 24 o 96.088  2.4297  1248.80   62.476    1193.10   88.642    1303.78   88.069    93.935  3.5231  98.241  3.3469  -4.306107      4.859408 
1 1 1 -17 -10 25 o 51.481  2.0376  358.491   27.978    368.703   40.005    348.715   39.143    52.203  2.8721  50.760  2.8910  1.442448       4.075144 
1 1 1 -17 -10 26 o 70.385  2.1711  669.817   40.923    661.189   58.190    678.261   57.564    69.928  3.1068  70.841  3.0337  -0.9127274     4.342285 
1 1 1 -17 -10 27 o 36.183  2.1842  178.377   20.960    184.250   29.954    172.742   29.339    36.775  3.0690  35.592  3.1088  1.183041       4.368464 
1 1 1 -17 -10 28 o 22.014  2.7663  68.915    15.547    83.051    21.777    54.220    22.203    24.502  3.4106  19.525  4.3562  4.977539       5.532525 
1 1 1 -17 -10 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -10 30 o 56.406  2.1939  433.240   33.005    417.086   46.209    450.065   47.158    55.321  3.1313  57.491  3.0736  -2.169804      4.387728 
1 1 1 -17 -10 31 o 34.953  2.4011  167.850   22.163    156.488   30.639    180.321   32.100    33.690  3.4437  36.215  3.3471  -2.524982      4.802267 
1 1 1 -17 -10 32 o 34.988  2.4178  168.318   22.308    153.353   30.570    185.365   32.627    33.298  3.4790  36.678  3.3584  -3.379414      4.835517 
1 1 1 -17 -10 33 o 42.104  2.1181  246.564   23.108    225.456   36.066    261.264   30.097    40.419  3.3618  43.788  2.5775  -3.369019      4.236193 
1 1 1 -17 -10 34 o 23.047  2.5671  68.881    14.710    104.792   25.136    50.177    18.140    27.361  3.5108  18.732  3.7463  8.628838       5.134257 
1 1 1 -17 -10 35 o 30.002  2.3980  126.966   18.180    121.399   29.617    130.332   23.029    29.275  3.8721  30.730  2.8297  -1.454908      4.795905 
1 1 1 -17 -10 36 o 46.938  2.1749  306.817   26.554    297.847   41.904    312.837   34.326    46.179  3.4120  47.698  2.6979  -1.518814      4.349727 
1 1 1 -17 -10 37 o 13.628  3.0664  27.307    12.891    15.806    22.052    33.277    15.888    12.199  4.7279  15.057  3.9062  -2.857836      6.132799 
1 1 1 -17 -10 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -10 39 o 42.991  2.2587  247.668   25.135    336.914   41.207    194.793   31.718    48.891  3.1637  37.091  3.2248  11.80030       4.517498 
1 1 1 -17 -10 40 o 23.965  2.9560  84.408    17.557    90.603    29.659    81.066    21.783    24.313  4.7246  23.617  3.5537  0.6962776      5.911902 
1 1 1 -17 -10 41 o 11.496  3.1427  15.251    13.006    12.888    24.063    16.227    15.458    11.840  4.8223  11.152  4.0313  0.6875219      6.285399 
1 1 1 -17 -10 42 o 31.201  2.8167  145.137   21.574    142.576   36.858    146.472   26.609    30.424  4.6723  31.978  3.1473  -1.554005      5.633482 
1 1 1 -17 -10 43 o 8.9050  2.6855  -1.1867   12.711    -37.4567  24.230    12.584    14.930    7.5416  3.6790  10.268  3.9131  -2.726816      5.370934 
1 1 1 -17 -10 44 o 17.263  3.4973  46.235    15.737    60.289    29.713    40.756    18.552    18.549  5.5492  15.978  4.2580  2.571786       6.994591 
1 1 1 -17 -9  1  o 44.956  1.8011  272.152   21.571    256.245   30.444    288.190   30.569    43.625  2.6175  46.286  2.4747  -2.660694      3.602142 
1 1 1 -17 -9  2  o 78.378  2.0618  824.550   43.278    808.307   61.253    840.741   61.155    77.606  2.9468  79.151  2.8846  -1.545250      4.123652 
1 1 1 -17 -9  3  o 161.245 3.3099  3500.30   142.947   3484.38   202.559   3516.09   201.760   160.876 4.7008  161.614 4.6609  -0.7376251     6.619750 
1 1 1 -17 -9  4  o 40.397  1.8426  219.874   19.810    221.308   27.462    218.317   28.606    40.541  2.5418  40.254  2.6683  0.2871246      3.685154 
1 1 1 -17 -9  5  o 102.680 2.3880  1415.64   65.675    1408.36   92.728    1422.97   93.031    102.415 3.3803  102.945 3.3739  -0.5303192     4.775951 
1 1 1 -17 -9  6  f 103.203 2.3629  1429.97   65.315    1426.48   92.024    1433.51   92.719    103.077 3.3331  103.330 3.3501  -0.2523575     4.725746 
1 1 1 -17 -9  7  o 149.108 3.0657  2991.69   122.348   3117.03   172.774   2865.62   173.279   152.256 4.2366  145.959 4.4323  6.296661       6.131358 
1 1 1 -17 -9  8  o 41.669  1.7934  234.749   19.823    256.222   27.719    212.271   28.360    43.648  2.3800  39.690  2.6834  3.957771       3.586774 
1 1 1 -17 -9  9  o 13.802  2.6079  26.314    10.089    17.996    14.244    34.689    14.293    11.838  3.8867  15.766  3.4781  -3.928175      5.215707 
1 1 1 -17 -9  10 o 217.486 4.2096  6386.61   245.152   6205.16   346.488   6568.50   346.906   214.368 6.0345  220.604 5.8710  -6.235245      8.419213 
1 1 1 -17 -9  11 o 238.652 4.5987  7702.34   293.959   7677.17   415.852   7727.47   415.589   238.258 6.5163  239.046 6.4907  -0.7882690     9.197380 
1 1 1 -17 -9  12 o 94.651  2.2557  1202.66   57.187    1209.22   81.253    1196.22   80.500    94.907  3.1963  94.396  3.1839  0.5107346      4.511495 
1 1 1 -17 -9  13 o 113.138 2.5351  1719.88   76.813    1705.01   109.203   1734.44   108.066   112.650 3.6192  113.625 3.5508  -0.9748535     5.070170 
1 1 1 -17 -9  14 o 110.365 2.5212  1637.28   74.497    1600.35   106.041   1673.26   104.682   109.129 3.6278  111.600 3.5020  -2.470955      5.042329 
1 1 1 -17 -9  15 o 106.852 2.4311  1533.54   69.558    1585.14   99.249    1483.73   97.513    108.620 3.4113  105.083 3.4645  3.537186       4.862099 
1 1 1 -17 -9  16 o 161.302 3.2654  3507.07   141.048   3438.65   200.011   3574.77   198.938   159.723 4.6752  162.880 4.5600  -3.156174      6.530729 
1 1 1 -17 -9  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -9  18 o 225.880 4.3513  6923.69   263.260   6933.37   372.657   6914.06   371.957   226.037 6.1552  225.723 6.1522  0.3134766      8.702594 
1 1 1 -17 -9  19 o 87.643  2.2702  1034.45   53.203    976.172   75.820    1090.97   74.673    85.195  3.3226  90.090  3.0945  -4.895554      4.540473 
1 1 1 -17 -9  20 f 37.131  2.0495  185.875   20.179    202.881   29.365    170.659   27.777    38.751  2.8492  35.511  2.9470  3.240234       4.099064 
1 1 1 -17 -9  21 o 112.658 2.6260  1711.70   79.204    1662.50   112.471   1760.11   111.558   111.037 3.7817  114.278 3.6446  -3.240784      5.252043 
1 1 1 -17 -9  22 o 51.703  2.0292  360.896   27.957    356.283   40.400    365.134   38.728    51.374  2.9483  52.032  2.7890  -0.6577339     4.058418 
1 1 1 -17 -9  23 o 149.900 3.1908  3047.16   128.111   3048.25   181.248   3046.07   181.104   149.926 4.5134  149.874 4.5114  0.5256653E-01  6.381540 
1 1 1 -17 -9  24 o 44.896  2.0390  272.498   24.379    277.020   35.121    268.294   33.866    45.252  2.9131  44.540  2.8537  0.7121468      4.077988 
1 1 1 -17 -9  25 o 74.885  2.2109  757.067   44.339    771.238   62.728    742.916   62.683    75.590  3.0982  74.179  3.1549  1.411606       4.421738 
1 1 1 -17 -9  26 f 64.085  2.1019  554.565   36.079    553.852   51.100    555.273   50.947    64.043  2.9789  64.128  2.9661  -0.8438110E-01 4.203782 
1 1 1 -17 -9  27 o 71.650  2.1986  695.223   42.132    738.440   59.594    652.037   59.572    73.901  3.0106  69.399  3.2048  4.501877       4.397114 
1 1 1 -17 -9  28 o 100.497 2.5434  1373.41   68.450    1376.74   95.949    1369.96   97.680    100.637 3.5595  100.358 3.6338  0.2794800      5.086758 
1 1 1 -17 -9  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -9  30 o 35.486  2.3655  174.639   21.935    193.604   30.088    153.126   32.046    37.662  3.0077  33.309  3.6518  4.353130       4.730946 
1 1 1 -17 -9  31 o 48.272  2.0034  314.034   25.511    337.383   39.600    297.470   33.354    49.754  2.9853  46.790  2.6724  2.963913       4.006746 
1 1 1 -17 -9  32 o 35.472  2.0984  172.826   19.370    169.527   30.309    175.104   25.184    35.103  3.2609  35.842  2.6420  -0.7384834     4.196804 
1 1 1 -17 -9  33 o 46.576  2.1186  301.780   25.693    269.558   39.375    325.674   33.907    44.242  3.3475  48.910  2.5975  -4.668671      4.237101 
1 1 1 -17 -9  34 o 46.599  2.0515  291.671   25.146    335.177   39.668    262.444   32.513    49.415  3.0114  43.784  2.7869  5.630676       4.103095 
1 1 1 -17 -9  35 o 25.507  2.5165  89.409    16.360    102.507   26.646    81.484    20.727    26.906  3.8034  24.108  3.2962  2.797693       5.032987 
1 1 1 -17 -9  36 o 69.542  2.2501  668.600   41.527    667.706   63.054    669.285   55.185    69.352  3.3944  69.733  2.9546  -0.3809662     4.500175 
1 1 1 -17 -9  37 o 9.9298  2.8136  8.0037    10.788    7.9534    19.134    8.0272    13.062    10.562  4.3008  9.2973  3.6288  1.264961       5.627211 
1 1 1 -17 -9  38 o 34.154  4.9456  174.896   43.926    0.0000    0.0000    174.896   43.926    ?       ?       34.154  4.9456  ?              ?        
1 1 1 -17 -9  39 o 20.936  2.9930  65.825    15.525    64.134    26.337    66.726    19.219    20.384  4.8872  21.488  3.4565  -1.104078      5.985966 
1 1 1 -17 -9  40 o 8.0938  2.5602  -2.9582   10.599    -13.7822  20.760    0.8585    12.327    8.3981  3.8897  7.7895  3.3298  0.6086564      5.120322 
1 1 1 -17 -9  41 o 45.080  2.3279  283.738   27.231    318.347   44.535    263.073   34.413    47.001  3.5641  43.159  2.9955  3.842468       4.655711 
1 1 1 -17 -9  42 o 13.348  3.4193  22.540    14.857    35.435    26.644    16.721    17.897    15.199  5.3130  11.497  4.3059  3.702055       6.838698 
1 1 1 -17 -9  43 o 25.892  3.2021  108.404   19.602    91.941    34.272    116.407   23.896    23.444  5.5449  28.340  3.2042  -4.896603      6.404104 
1 1 1 -17 -9  44 o 11.936  3.2375  18.874    15.300    -2.8234   28.517    27.644    18.130    10.563  4.7634  13.308  4.3858  -2.745363      6.474950 
1 1 1 -17 -8  1  f 95.349  2.2517  1220.67   57.491    1193.96   81.540    1247.06   81.070    94.309  3.2280  96.389  3.1401  -2.080345      4.503337 
1 1 1 -17 -8  2  o 56.630  1.8528  430.148   28.097    417.533   39.607    442.929   39.865    55.793  2.6503  57.467  2.5899  -1.673729      3.705644 
1 1 1 -17 -8  3  o 146.697 3.0580  2893.57   120.149   2936.47   170.242   2851.01   169.593   147.783 4.3009  145.610 4.3484  2.172577       6.116020 
1 1 1 -17 -8  4  o 67.099  1.9316  604.165   34.701    617.603   48.763    590.378   49.391    67.857  2.6829  66.341  2.7796  1.516136       3.863156 
1 1 1 -17 -8  5  o 61.832  1.8837  513.230   31.167    527.377   43.538    498.361   44.636    62.709  2.5921  60.955  2.7340  1.754280       3.767445 
1 1 1 -17 -8  6  o 127.004 2.7312  2167.09   92.896    2200.67   131.090   2133.22   131.661   127.996 3.8237  126.012 3.9008  1.984200       5.462341 
1 1 1 -17 -8  7  o 151.399 3.0776  3081.98   124.790   3122.01   176.117   3041.61   176.844   152.392 4.3147  150.407 4.3897  1.985092       6.155169 
1 1 1 -17 -8  8  o 103.657 2.3687  1442.41   65.760    1456.70   92.711    1427.94   93.288    104.175 3.3226  103.138 3.3769  1.037544       4.737416 
1 1 1 -17 -8  9  o 280.384 5.3254  10651.67  399.943   10667.47  565.566   10635.87  565.642   280.594 7.5252  280.173 7.5375  0.4212036      10.65090 
1 1 1 -17 -8  10 o 139.404 2.8881  2611.65   107.836   2623.57   152.655   2599.77   152.353   139.722 4.0790  139.085 4.0896  0.6363373      5.776100 
1 1 1 -17 -8  11 o 178.485 3.5523  4289.32   169.823   4284.08   240.548   4294.53   239.786   178.375 5.0348  178.596 5.0126  -0.2215424     7.104587 
1 1 1 -17 -8  12 o 31.191  1.8600  132.534   15.247    116.704   22.060    147.010   21.096    29.358  2.8410  33.024  2.4014  -3.666420      3.719912 
1 1 1 -17 -8  13 f 96.137  2.2867  1241.62   58.838    1202.90   83.920    1279.07   82.518    94.656  3.3100  97.618  3.1559  -2.962036      4.573379 
1 1 1 -17 -8  14 o 107.762 2.4616  1561.06   70.984    1496.42   101.006   1624.14   99.777    105.548 3.5728  109.976 3.3872  -4.428581      4.923240 
1 1 1 -17 -8  15 o 122.524 2.6320  2017.19   86.346    2092.71   122.848   1943.45   121.388   124.796 3.6752  120.253 3.7687  4.542870       5.264015 
1 1 1 -17 -8  16 o 211.851 4.1301  6064.86   234.357   6045.92   331.913   6083.68   330.951   211.515 5.8586  212.186 5.8231  -0.6709442     8.260276 
1 1 1 -17 -8  17 o 175.170 3.5602  4139.33   167.036   4128.65   236.733   4149.93   235.720   174.941 5.0522  175.400 5.0174  -0.4590454     7.120311 
1 1 1 -17 -8  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -8  19 o 14.520  3.3982  20.287    14.998    9.5555    17.918    45.408    27.414    10.881  4.2493  18.159  5.3042  -7.277992      6.796426 
1 1 1 -17 -8  20 o 121.769 2.7550  1997.54   89.853    1996.23   127.578   1998.82   126.571   121.727 3.9129  121.812 3.8793  -0.8496094E-01 5.509997 
1 1 1 -17 -8  21 o 132.636 2.9011  2373.34   103.056   2415.85   146.136   2331.28   145.354   133.824 4.0769  131.448 4.1284  2.375275       5.802168 
1 1 1 -17 -8  22 o 56.278  2.0526  426.869   30.824    433.851   44.309    420.322   42.909    56.722  2.9264  55.834  2.8790  0.8875732      4.105195 
1 1 1 -17 -8  23 o 142.118 3.1049  2734.63   118.189   2712.82   167.011   2756.51   167.278   141.546 4.4052  142.691 4.3768  -1.145142      6.209795 
1 1 1 -17 -8  24 o 76.304  2.1947  784.745   44.849    797.431   63.375    772.019   63.476    76.926  3.0758  75.681  3.1314  1.244179       4.389308 
1 1 1 -17 -8  25 o 89.814  2.3740  1090.09   57.083    1121.59   80.413    1058.09   81.044    91.137  3.2942  88.491  3.4193  2.645622       4.747928 
1 1 1 -17 -8  26 o 71.313  2.2139  687.031   42.281    689.994   59.330    683.974   60.268    71.476  3.0991  71.151  3.1624  0.3248825      4.427747 
1 1 1 -17 -8  27 o 17.866  2.9349  45.145    13.789    41.271    19.277    49.205    19.733    17.069  4.2363  18.663  4.0629  -1.593262      5.869703 
1 1 1 -17 -8  28 o 9.3734  2.7533  3.0778    11.345    3.2256    15.344    2.8997    16.849    9.2034  3.8104  9.5434  3.9754  -0.3400097     5.506609 
1 1 1 -17 -8  29 o 69.729  2.0616  651.911   38.319    738.807   57.446    582.256   51.432    73.879  2.9030  65.580  2.9280  8.298767       4.123238 
1 1 1 -17 -8  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -8  31 o 12.908  2.5564  24.472    10.801    -1.2056   18.372    38.036    13.353    9.3533  4.0328  16.463  3.1428  -7.109866      5.112764 
1 1 1 -17 -8  32 o 54.826  2.0405  407.827   29.641    418.049   45.196    400.111   39.265    55.338  3.0611  54.314  2.6990  1.024586       4.081063 
1 1 1 -17 -8  33 o 42.171  2.0746  244.583   22.865    236.453   35.495    250.350   29.894    41.474  3.2205  42.867  2.6161  -1.393124      4.149187 
1 1 1 -17 -8  34 o 16.786  2.9130  41.285    12.748    37.113    20.973    43.730    16.054    16.049  4.6255  17.524  3.5422  -1.474833      5.826012 
1 1 1 -17 -8  35 o 18.577  2.8493  47.437    13.481    62.544    22.226    38.644    16.957    20.813  4.1327  16.341  3.9237  4.472416       5.698610 
1 1 1 -17 -8  36 o 21.280  2.8983  67.259    15.306    59.334    25.240    71.868    19.249    19.980  4.7804  22.579  3.2786  -2.599457      5.796669 
1 1 1 -17 -8  37 f 11.015  2.9518  13.493    11.487    10.768    20.498    14.741    13.870    11.228  4.4941  10.802  3.8283  0.4262085      5.903638 
1 1 1 -17 -8  38 o 28.728  3.1074  116.197   23.530    0.0000    0.0000    116.197   23.530    ?       ?       28.728  3.1074  ?              ?        
1 1 1 -17 -8  39 o 26.810  3.1036  118.864   19.400    70.137    31.418    148.889   24.663    21.017  5.5128  32.603  2.8529  -11.58652      6.207209 
1 1 1 -17 -8  40 f 25.832  3.0615  107.177   18.471    79.515    31.798    121.265   22.692    22.352  5.3767  29.313  2.9294  -6.960167      6.122928 
1 1 1 -17 -8  41 o 30.215  2.6360  130.082   20.197    145.969   33.724    121.198   25.219    31.372  4.1124  29.058  3.2986  2.313559       5.271918 
1 1 1 -17 -8  42 o 16.178  3.5053  39.726    15.690    45.845    28.530    37.073    18.786    16.858  5.4991  15.498  4.3485  1.359596       7.010684 
1 1 1 -17 -8  43 f 7.9543  2.6659  -19.8997  12.513    -2.0185   24.983    -25.8880  14.458    10.189  4.5369  5.7190  2.8009  4.470477       5.331869 
1 1 1 -17 -8  44 o 15.510  3.5301  36.739    15.304    48.872    29.338    32.203    17.938    16.783  5.5814  14.236  4.3237  2.546729       7.060212 
1 1 1 -17 -7  1  o 162.904 3.3293  3570.86   145.254   3525.80   205.870   3615.53   204.974   161.874 4.7482  163.934 4.6681  -2.059753      6.658550 
1 1 1 -17 -7  2  o 115.034 2.6005  1777.40   80.109    1736.35   113.420   1818.27   113.162   113.704 3.7241  116.363 3.6307  -2.659515      5.201101 
1 1 1 -17 -7  3  o 88.516  2.1640  1051.29   51.302    1036.21   72.454    1066.44   72.649    87.878  3.0782  89.153  3.0423  -1.274803      4.327904 
1 1 1 -17 -7  4  f 113.221 2.4921  1721.40   75.545    1662.19   106.732   1780.83   106.941   111.266 3.5814  115.177 3.4665  -3.911507      4.984237 
1 1 1 -17 -7  5  o 72.111  1.9658  697.387   37.966    691.874   53.286    703.071   54.107    71.822  2.7699  72.400  2.7901  -0.5780334     3.931597 
1 1 1 -17 -7  6  o 88.344  2.1712  1047.74   51.347    1077.92   72.195    1016.85   73.044    89.636  3.0070  87.053  3.1327  2.582947       4.342327 
1 1 1 -17 -7  7  o 42.870  1.7536  247.642   20.015    261.161   28.103    233.726   28.513    44.070  2.3897  41.670  2.5671  2.400162       3.507257 
1 1 1 -17 -7  8  o 154.492 3.1348  3208.73   129.716   3188.09   183.360   3229.41   183.531   153.993 4.4454  154.991 4.4209  -0.9980011     6.269504 
1 1 1 -17 -7  9  o 76.310  2.0089  781.328   41.046    760.107   58.175    802.364   57.922    75.276  2.8853  77.343  2.7959  -2.067940      4.017759 
1 1 1 -17 -7  10 o 88.043  2.1529  1040.19   50.761    1027.95   72.163    1052.18   71.417    87.529  3.0780  88.558  3.0108  -1.029327      4.305746 
1 1 1 -17 -7  11 o 56.947  1.7996  434.572   27.428    460.119   39.316    410.351   38.282    58.578  2.5058  55.317  2.5838  3.260822       3.599289 
1 1 1 -17 -7  12 o 89.547  2.2069  1077.21   52.873    1034.32   75.468    1118.56   74.098    87.789  3.2095  91.304  3.0299  -3.515312      4.413706 
1 1 1 -17 -7  13 o 166.619 3.3361  3735.39   148.884   3741.09   211.193   3729.76   209.921   166.743 4.7287  166.494 4.7072  0.2491760      6.672243 
1 1 1 -17 -7  14 f 85.369  2.1728  979.868   49.586    922.974   70.790    1034.67   69.479    82.925  3.1871  87.813  2.9540  -4.888252      4.345536 
1 1 1 -17 -7  15 o 122.943 2.7041  2031.84   89.012    1982.22   126.500   2080.51   125.272   121.449 3.8887  124.438 3.7585  -2.988930      5.408175 
1 1 1 -17 -7  16 o 85.511  2.1654  981.597   49.583    976.946   70.807    986.072   69.455    85.310  3.0988  85.712  3.0254  -0.4022217     4.330721 
1 1 1 -17 -7  17 o 71.363  2.0594  683.644   39.352    679.814   56.294    687.304   55.031    71.165  2.9533  71.561  2.8711  -0.3954391     4.118859 
1 1 1 -17 -7  18 o 98.133  2.3951  1293.97   62.947    1293.69   89.752    1294.25   88.307    98.120  3.4151  98.146  3.3592  -0.2677917E-01 4.790277 
1 1 1 -17 -7  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -7  20 o 92.451  2.3480  1149.21   58.113    1198.79   82.634    1100.70   81.741    94.429  3.2671  90.472  3.3731  3.957237       4.695965 
1 1 1 -17 -7  21 o 84.625  2.2685  963.169   51.414    953.544   72.940    972.673   72.483    84.202  3.2341  85.048  3.1819  -0.8461456     4.536942 
1 1 1 -17 -7  22 o 95.872  2.4139  1238.46   61.910    1311.30   87.664    1165.98   87.444    98.701  3.3160  93.043  3.5088  5.657806       4.827772 
1 1 1 -17 -7  23 o 56.019  2.0532  423.344   30.695    431.809   43.338    414.823   43.482    56.587  2.8687  55.451  2.9381  1.136379       4.106322 
1 1 1 -17 -7  24 o 149.993 3.2174  3052.72   129.207   3134.24   182.026   2969.93   183.435   152.045 4.4696  147.940 4.6292  4.104736       6.434834 
1 1 1 -17 -7  25 o 36.254  2.1463  179.662   20.452    203.848   28.690    154.670   29.164    38.808  2.7784  33.699  3.2722  5.109509       4.292661 
1 1 1 -17 -7  26 o 122.716 2.8563  2045.40   93.842    2090.99   131.813   1998.54   133.632   124.133 3.9644  121.298 4.1131  2.835670       5.712639 
1 1 1 -17 -7  27 o 66.475  2.0163  592.083   35.767    656.357   53.318    539.492   48.229    69.730  2.8547  63.220  2.8482  6.510754       4.032569 
1 1 1 -17 -7  28 o 59.433  1.9882  472.592   31.414    544.557   47.200    415.365   42.091    63.495  2.7753  55.371  2.8477  8.124374       3.976402 
1 1 1 -17 -7  29 o 71.111  2.1252  684.341   40.295    690.247   60.007    679.491   54.379    71.354  3.1398  70.868  2.8648  0.4859467      4.250314 
1 1 1 -17 -7  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -7  31 o 63.215  2.0523  536.827   34.572    597.142   52.195    489.682   46.146    66.338  2.9375  60.092  2.8670  6.246315       4.104688 
1 1 1 -17 -7  32 o 51.752  2.0132  359.258   27.579    411.877   42.338    320.476   36.348    54.992  2.8845  48.511  2.8094  6.480415       4.026497 
1 1 1 -17 -7  33 o 30.869  2.4580  140.577   18.435    100.538   28.966    167.835   23.900    26.653  4.1962  35.085  2.5609  -8.432652      4.915924 
1 1 1 -17 -7  34 o 13.869  2.9565  26.404    11.521    29.972    19.336    24.440    14.344    14.588  4.5000  13.150  3.8357  1.437834       5.912929 
1 1 1 -17 -7  35 o 17.580  2.9074  42.406    13.136    56.571    21.857    34.397    16.435    19.739  4.2592  15.421  3.9588  4.318024       5.814845 
1 1 1 -17 -7  36 o 15.306  3.1092  34.327    13.081    31.461    22.442    35.802    16.099    14.918  4.8777  15.694  3.8571  -0.7760954     6.218473 
1 1 1 -17 -7  37 o 37.866  2.2944  199.889   22.485    203.860   36.018    197.353   28.782    38.000  3.5809  37.731  2.8695  0.2691193      4.588786 
1 1 1 -17 -7  38 o 14.839  3.0868  36.025    14.904    -2.8838   29.679    49.145    17.234    11.303  4.9932  18.374  3.6306  -7.070346      6.173611 
1 1 1 -17 -7  39 o 25.554  2.7653  93.212    17.638    103.911   29.793    87.438    21.886    26.422  4.3620  24.687  3.4001  1.735451       5.530613 
1 1 1 -17 -7  40 o 10.206  2.9485  3.1510    12.307    20.141    21.968    -4.6195   14.857    12.643  4.7635  7.7693  3.4761  4.873675       5.896964 
1 1 1 -17 -7  41 o 14.513  2.9731  20.741    14.025    63.087    23.971    -1.2977   17.293    20.244  4.5336  8.7812  3.8474  11.46270       5.946112 
1 1 1 -17 -7  42 o 10.536  2.8896  -2.7602   11.825    33.553    23.036    -15.7531  13.779    14.792  4.9465  6.2801  2.9886  8.511675       5.779218 
1 1 1 -17 -7  43 o 7.4090  2.4819  -13.6446  11.743    -23.4147  23.007    -10.2023  13.656    8.0880  3.8524  6.7300  3.1301  1.357965       4.963731 
1 1 1 -17 -7  44 o 34.037  2.7766  172.111   23.415    189.885   40.954    163.479   28.539    34.675  4.5167  33.399  3.2306  1.276192       5.553177 
1 1 1 -17 -6  1  o 197.102 3.8877  5234.88   205.213   5141.53   290.608   5327.72   289.823   195.337 5.5543  198.867 5.4410  -3.529953      7.775314 
1 1 1 -17 -6  2  o 158.191 3.2279  3365.52   136.750   3305.73   193.623   3425.03   193.166   156.783 4.6107  159.600 4.5187  -2.817093      6.455776 
1 1 1 -17 -6  3  o 97.292  2.2649  1270.56   58.991    1221.05   83.311    1320.36   83.543    95.387  3.2608  99.197  3.1443  -3.810471      4.529820 
1 1 1 -17 -6  4  o 166.243 3.4235  3719.81   152.316   3545.46   215.306   3894.48   215.507   162.324 4.9520  170.162 4.7284  -7.837585      6.846914 
1 1 1 -17 -6  5  o 120.908 2.6062  1962.87   84.399    1945.27   119.136   1980.61   119.581   120.363 3.6954  121.453 3.6759  -1.090271      5.212331 
1 1 1 -17 -6  6  o 40.570  1.7669  222.345   19.020    243.738   26.727    200.393   27.074    42.574  2.3529  38.567  2.6367  4.006840       3.533879 
1 1 1 -17 -6  7  o 179.342 3.5433  4328.40   170.186   4247.48   240.579   4409.46   240.781   177.656 5.0558  181.028 4.9658  -3.371384      7.086604 
1 1 1 -17 -6  8  o 133.541 2.8135  2395.63   100.615   2457.44   142.597   2334.35   141.986   135.260 3.9360  131.821 4.0214  3.439590       5.626996 
1 1 1 -17 -6  9  o 169.750 3.3857  3877.05   153.889   3771.90   218.018   3981.47   217.248   167.444 4.8611  172.056 4.7141  -4.611725      6.771445 
1 1 1 -17 -6  10 o 91.157  2.2147  1116.55   53.993    1056.57   76.885    1174.92   75.842    88.732  3.2350  93.582  3.0257  -4.849777      4.429442 
1 1 1 -17 -6  11 o 168.559 3.3723  3821.92   152.248   3817.72   215.952   3826.06   214.677   168.464 4.7859  168.654 4.7523  -0.1893616     6.744511 
1 1 1 -17 -6  12 o 172.553 3.4345  4006.64   158.714   3946.43   225.003   4066.26   223.912   171.255 4.9052  173.852 4.8085  -2.596680      6.868958 
1 1 1 -17 -6  13 o 200.066 3.8722  5393.75   207.468   5297.84   293.871   5489.05   292.939   198.280 5.5333  201.852 5.4182  -3.572113      7.744337 
1 1 1 -17 -6  14 o 198.286 3.9245  5300.50   208.382   5175.66   295.156   5424.57   294.240   195.941 5.6239  200.631 5.4754  -4.690521      7.849091 
1 1 1 -17 -6  15 o 257.159 4.9733  8952.58   342.529   8825.61   484.776   9079.16   484.043   255.316 7.0888  259.002 6.9774  -3.685333      9.946613 
1 1 1 -17 -6  16 o 116.775 2.6584  1832.46   83.135    1811.60   118.215   1852.88   116.936   116.113 3.8011  117.437 3.7175  -1.323975      5.316776 
1 1 1 -17 -6  17 o 43.916  1.9565  260.234   22.830    253.392   33.319    266.288   31.344    43.358  2.8855  44.474  2.6431  -1.116528      3.913094 
1 1 1 -17 -6  18 o 119.987 2.7283  1936.16   87.664    1903.27   124.420   1968.59   123.536   118.968 3.9045  121.005 3.8116  -2.036102      5.456508 
1 1 1 -17 -6  19 f 81.343  2.1901  888.548   47.700    922.805   67.916    855.200   67.008    82.893  3.0589  79.793  3.1353  3.099762       4.380279 
1 1 1 -17 -6  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -6  21 o 109.962 2.6045  1628.17   76.689    1666.73   108.232   1589.29   108.677   111.277 3.6313  108.646 3.7345  2.631660       5.208932 
1 1 1 -17 -6  22 o 98.045  2.4589  1294.08   64.570    1280.43   90.774    1308.06   91.868    97.522  3.4751  98.568  3.4797  -1.045883      4.917787 
1 1 1 -17 -6  23 o 104.220 2.5524  1467.36   71.070    1574.75   99.986    1357.69   101.038   108.111 3.4529  100.329 3.7598  7.782776       5.104774 
1 1 1 -17 -6  24 o 172.095 3.5894  4026.66   165.442   4037.23   232.778   4015.86   235.181   172.340 5.0428  171.850 5.1093  0.4902802      7.178763 
1 1 1 -17 -6  25 o 38.291  2.0115  205.058   19.744    164.448   30.072    235.830   26.177    34.764  3.2679  41.819  2.3465  -7.055058      4.023100 
1 1 1 -17 -6  26 f 54.252  1.9788  400.946   28.336    368.964   42.430    426.695   38.071    52.204  3.0477  56.300  2.5246  -4.095390      3.957523 
1 1 1 -17 -6  27 o 57.638  1.9783  447.838   30.331    457.764   45.451    439.868   40.727    58.157  2.9272  57.118  2.6620  1.038189       3.956617 
1 1 1 -17 -6  28 o 28.427  2.0852  107.403   15.420    133.263   24.180    89.679    20.018    31.267  2.9211  25.586  2.9766  5.680721       4.170499 
1 1 1 -17 -6  29 f 19.868  2.4466  54.241    12.327    59.723    19.702    50.715    15.801    20.646  3.6985  19.090  3.2038  1.556393       4.893224 
1 1 1 -17 -6  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -6  31 o 20.419  2.6852  62.406    13.579    44.268    21.520    74.407    17.504    17.581  4.5387  23.257  2.8709  -5.675564      5.370461 
1 1 1 -17 -6  32 o 21.270  2.5730  58.215    13.581    116.414   22.438    24.569    17.061    29.133  2.9145  13.407  4.2411  15.72603       5.146011 
1 1 1 -17 -6  33 o 32.341  2.1653  141.074   18.316    162.326   28.715    126.496   23.783    34.346  3.1567  30.337  2.9648  4.008844       4.330679 
1 1 1 -17 -6  34 o 35.921  2.1809  176.865   20.460    182.676   32.033    172.861   26.590    36.339  3.3281  35.503  2.8194  0.8360901      4.361779 
1 1 1 -17 -6  35 o 36.830  2.1919  186.625   20.960    191.646   33.398    183.362   26.922    37.126  3.3963  36.534  2.7719  0.5917320      4.383841 
1 1 1 -17 -6  36 o 66.664  2.2817  618.018   40.112    595.242   61.213    635.157   53.100    65.350  3.5100  67.978  2.9163  -2.627968      4.563420 
1 1 1 -17 -6  37 o 8.6461  2.5718  -1.5698   11.368    -27.8675  19.956    11.064    13.832    7.2470  3.4876  10.045  3.7808  -2.798246      5.143683 
1 1 1 -17 -6  38 o 9.8697  2.9974  3.3281    12.436    -1.2830   26.238    4.6642    14.123    10.816  4.7391  8.9233  3.6712  1.892695       5.994716 
1 1 1 -17 -6  39 o 34.761  2.4803  174.222   21.891    166.501   35.534    178.945   27.790    33.803  4.0024  35.719  2.9305  -1.916157      4.960570 
1 1 1 -17 -6  40 o 15.945  3.2827  40.229    14.928    30.090    25.460    45.540    18.428    14.488  5.1813  17.403  4.0323  -2.915666      6.565437 
1 1 1 -17 -6  41 o 18.569  3.1691  59.422    16.466    26.443    27.787    77.269    20.441    14.060  5.3430  23.078  3.4094  -9.018447      6.338101 
1 1 1 -17 -6  42 o 18.801  3.3484  46.867    16.135    86.302    30.146    31.033    19.102    23.346  4.9731  14.255  4.4851  9.091326       6.696839 
1 1 1 -17 -6  43 f 24.841  3.3858  102.282   19.952    85.520    35.625    109.944   24.084    22.254  5.8861  27.427  3.3479  -5.173864      6.771611 
1 1 1 -17 -6  44 o 10.389  3.1264  7.7191    14.061    5.1328    27.028    8.6789    16.464    11.024  4.8205  9.7536  3.9825  1.270266       6.252844 
1 1 1 -17 -5  1  o 45.114  1.7246  273.803   20.752    279.779   29.139    267.653   29.561    45.618  2.3931  44.609  2.4839  1.009377       3.449182 
1 1 1 -17 -5  2  f 17.926  2.1316  44.317    9.8643    45.196    13.759    43.387    14.150    18.125  2.9344  17.727  3.0926  0.3986740      4.263160 
1 1 1 -17 -5  3  o 106.942 2.4104  1535.13   69.041    1515.06   97.603    1555.23   97.675    106.241 3.4299  107.644 3.3877  -1.402184      4.820854 
1 1 1 -17 -5  4  o 173.209 3.4984  4036.89   162.294   3983.52   229.465   4090.31   229.571   172.059 4.9791  174.360 4.9156  -2.301285      6.996787 
1 1 1 -17 -5  5  o 69.685  1.9504  651.234   36.399    636.395   51.263    666.322   51.690    68.883  2.7784  70.486  2.7379  -1.602577      3.900741 
1 1 1 -17 -5  6  o 321.102 6.0585  14001.72  521.017   13765.89  736.714   14237.69  736.944   318.360 8.6396  323.845 8.4959  -5.484222      12.11701 
1 1 1 -17 -5  7  o 119.080 2.5800  1903.83   82.289    1910.24   116.589   1897.47   116.162   119.280 3.6492  118.881 3.6481  0.3991241      5.159973 
1 1 1 -17 -5  8  o 221.941 4.2682  6643.31   253.683   6509.35   359.129   6776.73   358.395   219.691 6.1031  224.191 5.9683  -4.501022      8.536331 
1 1 1 -17 -5  9  o 131.376 2.7553  2318.08   96.951    2324.56   137.727   2311.72   136.500   131.556 3.9086  131.195 3.8844  0.3615417      5.510517 
1 1 1 -17 -5  10 o 210.297 4.0784  5960.30   229.717   6029.29   325.466   5891.81   324.277   211.515 5.7448  209.079 5.7905  2.435883       8.156739 
1 1 1 -17 -5  11 o 215.761 4.1226  6275.15   238.248   6281.60   337.433   6268.75   336.438   215.870 5.8359  215.652 5.8246  0.2181549      8.245174 
1 1 1 -17 -5  12 o 223.454 4.3645  6737.48   261.173   6601.34   369.822   6872.93   368.889   221.183 6.2424  225.725 6.1014  -4.541946      8.728943 
1 1 1 -17 -5  13 o 108.755 2.4742  1587.90   72.063    1582.05   102.583   1593.61   101.256   108.554 3.5281  108.955 3.4697  -0.4003220     4.948312 
1 1 1 -17 -5  14 o 45.427  1.8980  279.475   22.840    254.110   33.142    302.419   31.520    43.429  2.8652  47.425  2.4901  -3.995876      3.796085 
1 1 1 -17 -5  15 o 85.063  2.2166  971.046   50.494    971.317   72.096    970.786   70.742    85.073  3.1640  85.053  3.1053  0.2000427E-01  4.433208 
1 1 1 -17 -5  16 o 13.113  2.8743  22.691    11.228    27.527    16.234    18.257    15.545    14.155  4.0666  12.072  4.0632  2.083491       5.748657 
1 1 1 -17 -5  17 o 149.749 3.1389  3018.43   125.790   3172.19   178.295   2866.04   177.496   153.564 4.3347  145.934 4.5409  7.629730       6.277703 
1 1 1 -17 -5  18 o 97.078  2.4148  1265.89   62.790    1268.24   88.936    1263.54   88.661    97.168  3.4172  96.988  3.4129  0.1800613      4.829597 
1 1 1 -17 -5  19 o 176.274 3.6291  4194.18   171.257   4344.57   241.929   4043.12   242.459   179.468 5.0328  173.080 5.2300  6.387543       7.258273 
1 1 1 -17 -5  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -5  21 o 115.092 2.6613  1783.50   82.025    1801.49   115.291   1765.06   116.723   115.687 3.7207  114.497 3.8060  1.189247       5.322532 
1 1 1 -17 -5  22 o 91.840  2.2963  1135.67   56.368    1116.82   82.026    1152.53   77.593    91.103  3.3615  92.577  3.1292  -1.474251      4.592514 
1 1 1 -17 -5  23 o 13.661  2.6655  22.736    10.418    40.553    16.934    11.886    13.215    17.009  3.8113  10.313  3.7275  6.696540       5.331057 
1 1 1 -17 -5  24 o 27.023  2.0654  98.579    14.515    104.312   22.693    94.610    18.883    27.660  3.1175  26.387  2.7103  1.273130       4.130895 
1 1 1 -17 -5  25 o 40.260  1.9377  220.043   20.550    212.644   31.101    225.776   27.378    39.623  2.9516  40.896  2.5115  -1.272892      3.875487 
1 1 1 -17 -5  26 o 40.865  1.9995  231.566   21.170    193.602   31.987    261.154   28.239    37.737  3.1946  43.993  2.4056  -6.256424      3.999067 
1 1 1 -17 -5  27 o 53.279  1.9897  385.583   28.080    366.292   41.924    401.278   37.814    51.991  3.0236  54.568  2.5872  -2.577682      3.979425 
1 1 1 -17 -5  28 o 51.834  2.0356  368.576   27.732    328.225   41.551    400.988   37.239    49.140  3.1738  54.528  2.5497  -5.387585      4.071134 
1 1 1 -17 -5  29 o 43.669  1.9689  255.723   22.760    287.577   34.674    231.607   30.169    46.030  2.8260  41.307  2.7423  4.722584       3.937866 
1 1 1 -17 -5  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -5  31 o 48.427  2.1120  325.443   26.656    279.246   40.278    361.443   35.556    45.162  3.3537  51.693  2.5680  -6.531296      4.223938 
1 1 1 -17 -5  32 o 45.040  2.0261  268.878   23.937    342.916   37.359    217.318   31.177    50.194  2.7898  39.886  2.9390  10.30844       4.052218 
1 1 1 -17 -5  33 o 46.245  2.0686  286.958   25.225    330.943   39.286    256.104   32.904    49.193  2.9959  43.296  2.8533  5.896904       4.137230 
1 1 1 -17 -5  34 o 46.724  2.0932  294.128   25.754    333.202   40.370    267.312   33.444    49.262  3.0749  44.186  2.8409  5.076443       4.186380 
1 1 1 -17 -5  35 o 25.428  2.7288  96.068    16.905    76.108    27.257    108.545   21.551    22.842  4.6140  28.013  2.9149  -5.170847      5.457623 
1 1 1 -17 -5  36 o 34.435  2.5451  174.753   21.557    137.354   34.610    198.459   27.555    30.904  4.2975  37.965  2.7279  -7.061489      5.090152 
1 1 1 -17 -5  37 o 32.548  2.3979  145.965   20.036    163.197   33.015    135.920   25.208    33.901  3.6958  31.195  3.0562  2.705935       4.795784 
1 1 1 -17 -5  38 o 33.732  2.9616  159.171   26.487    0.0000    0.0000    159.171   26.487    ?       ?       33.732  2.9616  ?              ?        
1 1 1 -17 -5  39 o 11.053  3.0559  12.675    12.377    12.435    22.473    12.780    14.828    11.645  4.6899  10.461  3.9190  1.184531       6.111791 
1 1 1 -17 -5  40 o 33.659  2.5236  159.144   21.673    180.335   36.277    147.383   27.026    35.125  3.9229  32.192  3.1756  2.932461       5.047145 
1 1 1 -17 -5  41 o 11.532  3.1742  12.062    13.001    25.218    24.461    6.8827    15.348    13.599  5.0455  9.4653  3.8528  4.134026       6.348343 
1 1 1 -17 -5  42 o 34.909  2.6644  175.974   23.263    189.682   40.054    168.996   28.577    35.459  4.3055  34.359  3.1399  1.100517       5.328841 
1 1 1 -17 -5  43 o 36.923  2.6231  195.604   24.590    226.557   41.938    179.386   30.356    38.692  4.1095  35.153  3.2611  3.539154       5.246223 
1 1 1 -17 -5  44 o 18.589  3.4273  65.134    18.931    27.610    33.558    82.648    22.927    13.962  5.6916  23.216  3.8198  -9.254302      6.854551 
1 1 1 -17 -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -4  2  o 248.365 9.5934  8407.67   638.192   0.0000    0.0000    8407.67   638.192   ?       ?       248.365 9.5934  ?              ?        
1 1 1 -17 -4  3  o 81.965  4.1706  905.046   91.260    0.0000    0.0000    905.046   91.260    ?       ?       81.965  4.1706  ?              ?        
1 1 1 -17 -4  4  o 26.469  3.3461  95.515    23.193    0.0000    0.0000    95.515    23.193    ?       ?       26.469  3.3461  ?              ?        
1 1 1 -17 -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -4  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -4  7  f 95.491  4.5513  1225.96   116.409   1225.96   116.409   0.0000    0.0000    95.491  4.5513  ?       ?       ?              ?        
1 1 1 -17 -4  8  o 200.174 3.9021  5397.73   209.189   5310.61   296.283   5484.32   295.395   198.553 5.5711  201.796 5.4652  -3.243240      7.804182 
1 1 1 -17 -4  9  o 186.993 3.6997  4708.69   185.223   4557.35   262.269   4859.27   261.623   183.978 5.3222  190.008 5.1406  -6.030380      7.399443 
1 1 1 -17 -4  10 o 276.001 5.2186  10307.91  385.772   10207.58  545.966   10407.94  545.163   274.644 7.4218  277.358 7.3383  -2.714478      10.43711 
1 1 1 -17 -4  11 o 105.522 2.4437  1494.85   69.056    1480.55   98.297    1508.78   97.036    105.021 3.4944  106.023 3.4170  -1.002129      4.887413 
1 1 1 -17 -4  12 o 164.696 3.3060  3647.86   145.829   3712.77   206.876   3583.74   205.597   166.157 4.6484  163.236 4.7023  2.920700       6.612064 
1 1 1 -17 -4  13 o 114.010 2.5272  1744.84   77.163    1787.08   109.824   1703.67   108.439   115.374 3.5539  112.646 3.5940  2.727791       5.054402 
1 1 1 -17 -4  14 o 163.508 3.3437  3596.29   146.433   3631.68   207.629   3561.26   206.551   164.309 4.7178  162.706 4.7395  1.603958       6.687341 
1 1 1 -17 -4  15 o 171.883 3.5322  3977.29   162.603   3918.40   230.166   4035.96   229.747   170.605 5.0368  173.161 4.9535  -2.555130      7.064475 
1 1 1 -17 -4  16 o 97.635  2.3877  1279.86   62.439    1267.32   88.445    1292.32   88.159    97.157  3.3987  98.114  3.3546  -0.9568710     4.775437 
1 1 1 -17 -4  17 o 131.156 2.8668  2313.02   100.679   2373.83   142.174   2251.85   142.590   132.893 3.9942  129.419 4.1134  3.473587       5.733546 
1 1 1 -17 -4  18 o 122.821 2.7457  2027.82   90.323    2030.98   127.226   2024.61   128.252   122.919 3.8643  122.722 3.9017  0.1972351      5.491436 
1 1 1 -17 -4  19 o 79.381  2.1807  846.261   46.354    854.847   65.023    837.388   66.099    79.793  3.0424  78.968  3.1250  0.8245621      4.361405 
1 1 1 -17 -4  20 o 34.849  2.5252  163.821   23.411    0.0000    0.0000    163.821   23.411    ?       ?       34.849  2.5252  ?              ?        
1 1 1 -17 -4  21 o 35.513  2.4749  181.042   21.742    224.944   29.039    125.034   32.799    40.845  2.6690  30.182  4.1685  10.66296       4.949719 
1 1 1 -17 -4  22 o 56.803  1.9992  438.263   30.033    395.791   44.312    474.352   40.847    54.173  3.0664  59.434  2.5659  -5.261120      3.998331 
1 1 1 -17 -4  23 o 75.372  2.1100  762.119   42.527    796.917   62.363    731.873   58.142    76.972  3.0249  73.772  2.9425  3.199432       4.219961 
1 1 1 -17 -4  24 o 157.751 3.2463  3369.69   137.084   3538.16   196.538   3210.08   191.301   161.609 4.5404  153.894 4.6409  7.714371       6.492571 
1 1 1 -17 -4  25 o 83.471  2.2543  945.541   50.056    863.528   72.987    1018.37   68.781    79.991  3.4066  86.950  2.9533  -6.958908      4.508510 
1 1 1 -17 -4  26 o 20.688  2.3750  59.781    12.445    56.498    19.429    62.066    16.207    20.115  3.7441  21.261  2.9232  -1.146559      4.750081 
1 1 1 -17 -4  27 o 29.939  2.0519  122.443   16.078    119.480   24.351    124.732   21.408    29.575  3.1211  30.304  2.6645  -0.7285557     4.103784 
1 1 1 -17 -4  28 o 47.334  2.0123  306.985   25.044    279.524   37.571    328.946   33.598    45.345  3.1122  49.322  2.5519  -3.976772      4.024655 
1 1 1 -17 -4  29 o 69.181  2.1549  649.958   39.675    632.337   59.095    664.419   53.533    68.277  3.2314  70.086  2.8517  -1.808998      4.309757 
1 1 1 -17 -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -4  31 o 35.849  2.1114  176.035   19.695    173.335   30.872    177.889   25.576    35.542  3.2799  36.156  2.6597  -0.6143761     4.222726 
1 1 1 -17 -4  32 o 30.010  2.2287  120.227   17.367    148.191   27.596    101.890   22.346    32.834  3.1776  27.185  3.1259  5.649540       4.457337 
1 1 1 -17 -4  33 o 76.486  2.2545  794.519   45.951    844.807   69.284    755.029   61.397    78.584  3.2916  74.388  3.0815  4.195992       4.508910 
1 1 1 -17 -4  34 o 35.460  2.1616  169.608   19.979    192.489   32.012    155.009   25.570    37.334  3.2332  33.587  2.8699  3.746254       4.323156 
1 1 1 -17 -4  35 o 55.754  2.1855  428.736   32.036    422.029   49.604    433.536   41.960    55.199  3.3712  56.309  2.7821  -1.109844      4.370905 
1 1 1 -17 -4  36 o 25.381  2.6291  88.924    16.887    103.795   27.943    80.369    21.195    26.917  3.9972  23.845  3.4163  3.072697       5.258148 
1 1 1 -17 -4  37 f 25.593  2.6452  91.302    17.031    104.238   28.533    84.143    21.227    26.820  4.1023  24.366  3.3405  2.453880       5.290355 
1 1 1 -17 -4  38 o 15.603  4.0390  36.184    17.012    0.0000    0.0000    36.184    17.012    ?       ?       15.603  4.0390  ?              ?        
1 1 1 -17 -4  39 o 28.144  2.8197  119.875   19.073    103.419   32.280    128.702   23.641    26.058  4.8017  30.231  2.9575  -4.172197      5.639441 
1 1 1 -17 -4  40 o 29.771  2.6579  124.803   19.972    146.003   33.917    113.549   24.711    31.417  4.1306  28.124  3.3461  3.293533       5.315834 
1 1 1 -17 -4  41 o 25.636  2.8937  90.194    18.278    126.365   32.615    73.634    22.069    28.984  4.3343  22.289  3.8350  6.694921       5.787371 
1 1 1 -17 -4  42 o 49.638  2.4737  351.473   31.644    380.508   52.330    334.736   39.732    50.809  3.8744  48.466  3.0766  2.343117       4.947383 
1 1 1 -17 -4  43 o 24.983  3.2164  90.056    19.735    127.642   35.254    72.903    23.816    28.310  4.8222  21.656  4.2577  6.653671       6.432808 
1 1 1 -17 -4  44 o 14.043  3.5010  30.714    15.225    34.665    29.258    29.247    17.829    14.548  5.4937  13.538  4.3413  1.010440       7.001938 
1 1 1 -17 -3  1  o 78.196  2.0159  820.400   42.206    846.341   59.663    794.414   59.715    79.435  2.8041  76.956  2.8970  2.479332       4.031839 
1 1 1 -17 -3  2  o 203.663 4.0301  5589.72   219.827   5510.97   311.093   5668.25   310.672   202.221 5.7435  205.106 5.6550  -2.884857      8.060211 
1 1 1 -17 -3  3  o 68.506  1.9277  629.540   35.362    613.634   50.075    645.364   49.943    67.641  2.7639  69.371  2.6879  -1.729469      3.855360 
1 1 1 -17 -3  4  o 61.691  1.8534  510.808   30.596    490.184   43.549    530.911   42.996    60.458  2.6893  62.924  2.5511  -2.465771      3.706771 
1 1 1 -17 -3  5  o 135.570 2.8575  2470.39   103.689   2372.83   147.055   2566.85   146.226   132.897 4.1312  138.242 3.9491  -5.345596      5.715063 
1 1 1 -17 -3  6  o 75.666  2.0047  769.134   40.554    720.957   57.652    816.321   57.057    73.312  2.9359  78.019  2.7304  -4.706612      4.009308 
1 1 1 -17 -3  7  o 215.608 4.2176  6267.44   243.547   6184.30   344.750   6350.28   344.106   214.170 6.0098  217.047 5.9190  -2.876785      8.435167 
1 1 1 -17 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -3  9  o 154.930 6.4247  3239.61   266.611   3239.61   266.611   0.0000    0.0000    154.930 6.4247  ?       ?       ?              ?        
1 1 1 -17 -3  10 o 124.173 2.6309  2070.42   87.500    2068.58   124.299   2072.22   123.197   124.117 3.7389  124.229 3.7024  -0.1122131     5.261895 
1 1 1 -17 -3  11 o 212.297 4.1540  6075.82   236.210   6085.33   334.523   6066.37   333.580   212.462 5.8784  212.133 5.8709  0.3293762      8.307972 
1 1 1 -17 -3  12 o 129.178 2.8184  2241.50   97.494    2309.01   138.514   2175.22   137.248   131.109 3.9443  127.246 4.0269  3.863235       5.636815 
1 1 1 -17 -3  13 o 111.949 2.4762  1682.27   74.234    1731.40   105.524   1634.13   104.449   113.569 3.4690  110.328 3.5345  3.241096       4.952428 
1 1 1 -17 -3  14 o 120.535 2.6771  1951.26   86.430    1966.10   122.448   1936.52   122.014   120.993 3.7783  120.078 3.7936  0.9152069      5.354217 
1 1 1 -17 -3  15 o 47.437  1.9155  302.776   24.236    305.274   34.473    300.334   34.080    47.631  2.7133  47.244  2.7044  0.3872795      3.830926 
1 1 1 -17 -3  16 o 129.335 2.8728  2248.00   99.516    2221.10   140.237   2275.28   141.243   128.555 4.0727  130.116 4.0527  -1.560867      5.745574 
1 1 1 -17 -3  17 o 53.872  1.8966  393.047   27.057    359.052   39.898    421.993   36.815    51.649  2.8957  56.096  2.4502  -4.446861      3.793264 
1 1 1 -17 -3  18 o 18.712  2.3834  46.691    11.332    65.578    17.770    33.748    14.711    21.884  3.1199  15.540  3.6041  6.343477       4.766885 
1 1 1 -17 -3  19 o 203.791 4.0044  5608.83   218.538   5762.26   311.327   5459.79   306.841   206.549 5.6274  201.033 5.6985  5.515686       8.008725 
1 1 1 -17 -3  20 o 111.580 2.6054  1684.84   77.350    1497.80   111.153   1860.47   107.708   105.505 3.9333  117.654 3.4178  -12.14966      5.210835 
1 1 1 -17 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -3  22 o 120.517 2.7048  1957.45   87.246    1937.03   125.471   1976.56   121.398   119.893 3.9072  121.141 3.7414  -1.248352      5.409587 
1 1 1 -17 -3  23 o 54.358  1.9529  396.641   28.263    418.209   41.895    378.627   38.289    55.706  2.8170  53.011  2.7056  2.695362       3.905884 
1 1 1 -17 -3  24 o 43.029  1.9037  247.172   21.707    282.898   32.697    219.017   29.026    45.791  2.6775  40.267  2.7069  5.523926       3.807414 
1 1 1 -17 -3  25 o 43.299  1.9456  252.588   22.317    260.157   33.618    246.625   29.840    43.861  2.8775  42.736  2.6195  1.124912       3.891209 
1 1 1 -17 -3  26 o 93.574  2.3408  1179.18   58.576    1257.95   85.687    1110.07   80.257    96.497  3.3152  90.651  3.3054  5.846664       4.681506 
1 1 1 -17 -3  27 o 20.096  2.3950  55.992    12.222    56.720    19.212    55.496    15.841    20.145  3.6968  20.048  3.0459  0.9693718E-01  4.789993 
1 1 1 -17 -3  28 o 72.199  2.1455  704.076   41.343    717.216   61.350    693.145   55.957    72.788  3.1468  71.610  2.9174  1.177979       4.291081 
1 1 1 -17 -3  29 o 34.100  2.0445  157.378   18.278    165.199   28.376    151.832   23.896    34.786  3.0773  33.415  2.6928  1.371063       4.089095 
1 1 1 -17 -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -3  31 o 69.280  2.1732  650.628   40.102    666.779   60.288    637.812   53.706    70.002  3.2153  68.558  2.9246  1.444160       4.346496 
1 1 1 -17 -3  32 o 107.797 2.6446  1592.52   76.171    1621.86   112.125   1567.37   103.800   108.639 3.8532  106.955 3.6233  1.683296       5.289218 
1 1 1 -17 -3  33 o 21.876  2.6903  67.166    14.827    69.977    23.958    65.421    18.875    22.136  4.1944  21.616  3.3700  0.5196838      5.380521 
1 1 1 -17 -3  34 o 12.102  3.0073  18.220    11.719    18.846    19.720    17.878    14.570    12.534  4.5499  11.670  3.9338  0.8640890      6.014656 
1 1 1 -17 -3  35 o 40.610  2.2795  231.843   23.822    213.265   37.696    244.195   30.737    39.039  3.6473  42.182  2.7353  -3.142693      4.558999 
1 1 1 -17 -3  36 o 16.872  3.2079  40.123    14.353    50.547    24.169    34.444    17.839    18.400  4.8392  15.343  4.2124  3.057158       6.415824 
1 1 1 -17 -3  37 o 27.853  2.5456  105.289   17.974    132.855   30.365    90.420    22.301    30.465  3.8040  25.241  3.3838  5.224718       5.091234 
1 1 1 -17 -3  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -3  39 o 29.789  2.9343  137.400   20.471    111.551   35.387    150.401   25.097    26.858  5.1057  32.721  2.8934  -5.862808      5.868563 
1 1 1 -17 -3  40 o 7.7493  2.4963  -11.5565  12.262    -42.6795  22.276    1.9752    14.688    6.9192  3.4063  8.5795  3.6502  -1.660290      4.992686 
1 1 1 -17 -3  41 o 35.110  2.6219  175.240   23.253    195.868   39.694    164.462   28.691    36.295  4.1582  33.926  3.1950  2.368858       5.243891 
1 1 1 -17 -3  42 o 33.503  2.7903  161.824   23.395    185.754   40.548    149.882   28.644    34.876  4.4414  32.131  3.3789  2.745056       5.580620 
1 1 1 -17 -3  43 o 31.171  2.8310  136.841   21.999    186.476   39.096    113.843   26.612    34.773  4.2884  27.569  3.6970  7.204529       5.661995 
1 1 1 -17 -2  1  f 191.371 3.7928  4931.70   194.403   4881.38   275.098   4981.90   274.757   190.390 5.3945  192.353 5.3329  -1.962509      7.585551 
1 1 1 -17 -2  2  o 72.068  1.9376  696.706   37.395    684.911   53.097    708.315   52.675    71.462  2.7740  72.675  2.7060  -1.213249      3.875256 
1 1 1 -17 -2  3  o 19.808  1.7619  53.615    9.1024    49.602    13.052    57.416    12.701    19.054  2.6273  20.562  2.3483  -1.507420      3.523754 
1 1 1 -17 -2  4  o 93.857  2.2635  1183.88   56.810    1120.18   81.033    1245.46   79.666    91.364  3.3113  96.350  3.0870  -4.986458      4.527033 
1 1 1 -17 -2  5  o 72.068  1.9406  696.471   37.441    726.715   53.288    666.985   52.617    73.614  2.7026  70.521  2.7856  3.093040       3.881163 
1 1 1 -17 -2  6  o 131.375 2.7519  2317.86   96.835    2331.96   137.227   2303.87   136.666   131.773 3.8880  130.977 3.8956  0.7969208      5.503836 
1 1 1 -17 -2  7  o 161.726 3.2954  3517.10   142.741   3477.34   202.149   3556.64   201.584   160.809 4.6932  162.642 4.6274  -1.832306      6.590815 
1 1 1 -17 -2  8  o 183.749 3.6733  4544.50   180.781   4600.78   256.085   4488.59   255.244   184.888 5.1712  182.611 5.2184  2.276443       7.346612 
1 1 1 -17 -2  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -2  10 o 39.349  3.6456  209.656   37.987    209.656   37.987    0.0000    0.0000    39.349  3.6456  ?       ?       ?              ?        
1 1 1 -17 -2  11 o 119.511 2.6122  1917.69   83.617    1938.07   118.765   1897.67   117.746   120.140 3.6907  118.881 3.6978  1.259354       5.224481 
1 1 1 -17 -2  12 o 142.490 2.9974  2728.55   114.396   2748.00   162.023   2709.22   161.540   142.997 4.2302  141.983 4.2477  1.014557       5.994794 
1 1 1 -17 -2  13 o 54.636  1.9280  401.239   28.085    437.322   39.981    366.088   39.462    57.106  2.6139  52.166  2.8349  4.940365       3.856011 
1 1 1 -17 -2  14 o 171.947 3.4332  3976.38   157.995   4197.67   225.850   3764.30   221.102   176.643 4.7735  167.250 4.9356  9.392471       6.866301 
1 1 1 -17 -2  15 f 128.527 2.7937  2221.30   96.080    2162.03   137.809   2277.36   134.025   126.846 4.0561  130.208 3.8429  -3.361588      5.587491 
1 1 1 -17 -2  16 o 117.011 2.6302  1843.52   82.230    1736.53   118.039   1944.41   114.619   113.690 3.8763  120.332 3.5562  -6.642792      5.260422 
1 1 1 -17 -2  17 o 78.500  2.0840  824.470   43.732    900.351   63.633    756.551   60.202    81.916  2.9002  75.085  2.9934  6.830635       4.167961 
1 1 1 -17 -2  18 o 90.881  2.3506  1120.49   56.593    955.649   81.514    1273.88   78.632    84.340  3.6084  97.422  3.0134  -13.08179      4.701143 
1 1 1 -17 -2  19 o 122.351 2.7107  2013.44   88.780    1989.67   127.341   2035.93   123.840   121.639 3.9085  123.064 3.7570  -1.425003      5.421371 
1 1 1 -17 -2  20 o 84.569  2.2056  961.517   49.875    944.148   72.299    977.287   68.893    83.831  3.2199  85.306  3.0151  -1.475098      4.411191 
1 1 1 -17 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -2  22 o 54.250  1.9922  397.561   28.692    380.909   42.553    411.441   38.852    53.149  3.0014  55.350  2.6206  -2.200218      3.984481 
1 1 1 -17 -2  23 o 74.076  2.1292  738.053   42.132    738.340   61.895    737.805   57.514    74.078  3.1194  74.074  2.8988  0.3410339E-02  4.258387 
1 1 1 -17 -2  24 o 69.668  2.1115  655.704   39.202    624.896   57.583    682.318   53.521    68.116  3.1561  71.219  2.8057  -3.102806      4.222909 
1 1 1 -17 -2  25 o 83.058  2.2894  938.570   50.477    838.663   73.694    1026.87   69.282    78.810  3.4911  87.306  2.9627  -8.495796      4.578802 
1 1 1 -17 -2  26 o 40.597  1.9402  220.575   20.831    244.476   31.810    202.632   27.562    42.499  2.8103  38.695  2.6758  3.803795       3.880456 
1 1 1 -17 -2  27 o 46.570  1.9802  293.527   24.366    294.739   37.030    292.602   32.359    46.621  2.9810  46.519  2.6075  0.1025238      3.960453 
1 1 1 -17 -2  28 o 38.994  1.9836  203.922   20.377    224.128   31.592    189.527   26.665    40.613  2.9237  37.375  2.6814  3.238228       3.967135 
1 1 1 -17 -2  29 o 30.106  2.3462  132.713   17.191    90.803    26.428    163.456   22.634    25.493  4.0022  34.719  2.4497  -9.226631      4.692403 
1 1 1 -17 -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -2  31 f 86.603  2.3307  1012.79   53.827    1137.74   80.546    911.955   72.357    91.390  3.2905  81.816  3.3018  9.573921       4.661448 
1 1 1 -17 -2  32 o 20.139  2.8180  60.325    14.090    47.749    23.177    67.699    17.747    18.185  4.7180  22.093  3.0830  -3.908186      5.635986 
1 1 1 -17 -2  33 o 6.7709  2.1820  -11.2688  9.4711    -32.9527  16.138    0.1244    11.698    5.9231  2.9127  7.6187  3.2499  -1.695510      4.364094 
1 1 1 -17 -2  34 o 14.635  3.0109  29.463    12.039    35.146    20.602    26.516    14.835    15.634  4.6072  13.637  3.8777  1.996490       6.021872 
1 1 1 -17 -2  35 o 56.593  2.1978  436.658   32.770    475.481   51.323    409.936   42.579    58.600  3.2830  54.587  2.9228  4.013130       4.395603 
1 1 1 -17 -2  36 o 17.287  3.1593  40.838    14.155    57.401    24.734    32.772    17.261    19.603  4.7586  14.971  4.1569  4.631798       6.318510 
1 1 1 -17 -2  37 o 21.633  2.9001  65.494    15.608    80.930    26.698    57.481    19.237    23.377  4.4259  19.889  3.7487  3.488628       5.800138 
1 1 1 -17 -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -2  39 o 20.201  3.1729  58.257    15.895    75.489    28.243    50.269    19.229    22.078  4.9035  18.323  4.0278  3.754688       6.345716 
1 1 1 -17 -2  40 o 14.203  3.2793  18.527    13.940    57.722    27.784    5.3399    16.116    19.003  5.2730  9.4032  3.9000  9.599391       6.558540 
1 1 1 -17 -2  41 o 26.821  3.3476  123.099   20.720    79.611    35.941    144.747   25.359    21.733  5.9843  31.909  3.0024  -10.17521      6.695242 
1 1 1 -17 -2  42 o 31.959  3.0287  159.530   23.046    141.371   39.756    168.720   28.283    29.654  5.1945  34.264  3.1158  -4.609789      6.057334 
1 1 1 -17 -2  43 o 6.1511  2.1596  -26.2353  10.835    -42.6699  23.244    -21.6733  12.246    7.0184  3.4598  5.2839  2.5857  1.734438       4.319274 
1 1 1 -17 -1  1  o 28.654  1.6195  111.053   12.279    100.947   17.414    121.049   17.318    27.335  2.4028  29.973  2.1720  -2.637861      3.238941 
1 1 1 -17 -1  2  o 49.241  1.7366  325.489   22.847    325.993   32.978    325.025   31.681    49.245  2.5085  49.238  2.4023  0.7171631E-02  3.473241 
1 1 1 -17 -1  3  f 157.321 3.2546  3330.33   137.019   3194.02   194.842   3463.69   192.724   154.118 4.7200  160.525 4.4823  -6.406250      6.509183 
1 1 1 -17 -1  4  o 139.735 2.9401  2624.20   109.997   2547.50   155.962   2700.11   155.159   137.696 4.2287  141.775 4.0859  -4.079681      5.880185 
1 1 1 -17 -1  5  o 139.510 2.9142  2615.84   108.805   2745.59   154.110   2486.88   153.637   142.971 4.0243  136.049 4.2161  6.921921       5.828455 
1 1 1 -17 -1  6  o 62.913  1.8048  530.610   30.406    547.390   43.302    514.289   42.705    63.895  2.5302  61.931  2.5744  1.963284       3.609642 
1 1 1 -17 -1  7  o 142.215 2.9798  2717.46   113.500   2754.50   160.850   2680.72   160.179   143.183 4.1941  141.248 4.2339  1.935120       5.959548 
1 1 1 -17 -1  8  o 223.046 4.3127  6708.86   257.642   6648.56   364.661   6768.97   364.061   222.037 6.1316  224.055 6.0664  -2.018066      8.625411 
1 1 1 -17 -1  9  o 159.062 3.2600  3401.93   138.891   3397.17   196.777   3406.65   196.067   158.950 4.6220  159.175 4.5988  -0.2247162     6.520054 
1 1 1 -17 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -1  11 f 153.588 3.1363  3171.07   128.980   3173.00   184.804   3169.24   180.098   153.626 4.4911  153.550 4.3789  0.7641602E-01  6.272591 
1 1 1 -17 -1  12 o 84.545  2.1197  956.545   47.940    1022.09   69.741    897.830   66.007    87.285  2.9831  81.806  3.0124  5.479179       4.239496 
1 1 1 -17 -1  13 o 136.422 2.8768  2499.29   105.091   2564.76   150.619   2437.17   146.701   138.162 4.0701  134.682 4.0666  3.480072       5.753528 
1 1 1 -17 -1  14 o 52.233  1.8906  370.366   26.096    327.226   38.234    407.991   35.707    49.303  2.9081  55.162  2.4167  -5.859032      3.781222 
1 1 1 -17 -1  15 o 129.053 2.7745  2236.43   95.882    2294.45   137.310   2181.21   133.948   130.686 3.9227  127.420 3.9247  3.266068       5.548954 
1 1 1 -17 -1  16 o 73.460  2.0489  722.992   40.284    750.518   58.360    697.940   55.674    74.793  2.9132  72.127  2.8818  2.666000       4.097747 
1 1 1 -17 -1  17 f 202.361 3.9715  5522.46   215.214   5694.05   306.246   5355.03   302.507   205.480 5.5643  199.243 5.6684  6.237000       7.943094 
1 1 1 -17 -1  18 o 105.478 2.4825  1498.67   69.938    1407.00   100.558   1584.56   97.337    102.330 3.6688  108.625 3.3455  -6.294998      4.965083 
1 1 1 -17 -1  19 o 85.613  2.1870  981.191   49.949    1112.28   72.675    863.837   68.764    91.024  2.9809  80.202  3.2010  10.82182       4.374008 
1 1 1 -17 -1  20 o 34.892  1.9049  164.045   17.553    167.262   26.453    161.514   23.462    35.184  2.8309  34.599  2.5496  0.5842133      3.809825 
1 1 1 -17 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -1  22 o 58.201  2.0031  456.027   31.032    452.754   45.990    458.762   42.047    57.961  2.9724  58.440  2.6862  -0.4787292     4.006291 
1 1 1 -17 -1  23 o 64.415  2.1514  570.360   36.251    463.216   53.116    663.782   49.598    58.548  3.4017  70.282  2.6347  -11.73399      4.302720 
1 1 1 -17 -1  24 o 28.687  2.2067  117.705   15.726    84.489    23.715    143.775   21.010    24.755  3.6894  32.620  2.4219  -7.865705      4.413315 
1 1 1 -17 -1  25 o 99.288  2.4996  1339.49   66.072    1229.68   96.134    1437.80   90.960    95.351  3.7641  103.225 3.2899  -7.873383      4.999161 
1 1 1 -17 -1  26 o 40.293  1.9539  214.896   20.551    282.855   31.540    164.754   27.092    45.757  2.5840  34.828  2.9315  10.92916       3.907748 
1 1 1 -17 -1  27 o 82.071  2.2821  914.430   49.894    878.140   73.635    945.235   67.843    80.511  3.4146  83.632  3.0286  -3.121208      4.564210 
1 1 1 -17 -1  28 o 32.400  2.0611  141.285   17.474    154.021   27.375    132.528   22.699    33.594  3.0765  31.205  2.7436  2.388632       4.122198 
1 1 1 -17 -1  29 o 51.746  2.0121  357.861   27.562    413.986   42.226    316.202   36.380    55.232  2.8642  48.259  2.8268  6.972404       4.024174 
1 1 1 -17 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 -1  31 o 91.313  2.4224  1135.76   59.030    1164.59   87.738    1111.91   79.790    92.307  3.5487  90.319  3.2982  1.987869       4.844722 
1 1 1 -17 -1  32 o 48.750  2.1901  330.428   27.768    296.699   42.808    354.929   36.486    46.429  3.4674  51.072  2.6765  -4.643486      4.380203 
1 1 1 -17 -1  33 o 39.383  2.1930  212.162   22.440    218.679   35.862    207.968   28.767    39.778  3.3985  38.989  2.7727  0.7896194      4.386096 
1 1 1 -17 -1  34 o 37.341  2.2312  191.220   21.617    199.926   34.657    185.676   27.656    37.923  3.4497  36.758  2.8307  1.164852       4.462429 
1 1 1 -17 -1  35 o 67.836  2.2700  627.241   40.783    688.851   63.594    584.201   53.153    70.528  3.3664  65.145  3.0462  5.383087       4.540030 
1 1 1 -17 -1  36 o 42.747  2.2978  248.600   25.548    286.767   41.606    225.498   32.370    45.209  3.4622  40.285  3.0219  4.923294       4.595517 
1 1 1 -17 -1  37 o 39.924  2.3186  217.136   23.945    256.434   39.598    194.483   30.064    42.560  3.5048  37.288  3.0365  5.271519       4.637245 
1 1 1 -17 -1  38 o 33.834  4.1162  167.462   36.535    167.462   36.535    0.0000    0.0000    33.834  4.1162  ?       ?       ?              ?        
1 1 1 -17 -1  39 o 27.820  2.8326  115.204   19.304    109.402   32.543    118.354   23.979    26.800  4.7050  28.840  3.1556  -2.039843      5.665284 
1 1 1 -17 -1  40 o 16.925  3.4125  44.640    15.513    43.159    28.251    45.280    18.561    16.556  5.4756  17.293  4.0742  -0.7365589     6.825080 
1 1 1 -17 -1  41 o 28.265  3.0268  115.651   20.916    136.844   37.315    105.941   25.256    29.640  4.8694  26.891  3.5966  2.748739       6.053656 
1 1 1 -17 -1  42 o 26.622  3.2388  110.765   20.600    110.143   36.611    111.053   24.920    25.759  5.4750  27.485  3.4618  -1.725410      6.477682 
1 1 1 -17 -1  43 o 22.222  3.5059  86.249    19.427    69.847    34.382    93.941    23.546    19.507  5.9978  24.936  3.6320  -5.428205      7.011780 
1 1 1 -17 0   1  o 101.310 2.3348  1376.88   63.345    1402.58   90.602    1352.30   88.597    102.234 3.3087  100.385 3.2950  1.848579       4.669543 
1 1 1 -17 0   2  f 113.208 2.5245  1719.89   76.536    1759.56   109.236   1681.64   107.269   114.490 3.5621  111.925 3.5781  2.564697       5.048925 
1 1 1 -17 0   3  o 238.715 4.6265  7691.00   295.811   7702.45   419.218   7679.63   417.466   238.889 6.5517  238.540 6.5339  0.3491364      9.252913 
1 1 1 -17 0   4  f 174.368 3.5314  4091.30   164.868   3959.59   233.158   4223.01   233.158   171.548 5.0743  177.188 4.9128  -5.640244      7.062871 
1 1 1 -17 0   5  o 66.208  1.8589  587.853   32.962    578.731   46.694    596.913   46.537    65.695  2.6536  66.720  2.6040  -1.025558      3.717882 
1 1 1 -17 0   6  o 178.196 4.2495  4256.85   193.117   4203.78   238.362   4358.23   329.451   176.762 5.0345  179.630 6.8474  -2.867386      8.498990 
1 1 1 -17 0   7  o 206.692 4.0236  5756.00   222.717   5722.55   317.380   5788.47   312.614   206.087 5.7496  207.296 5.6303  -1.209290      8.047236 
1 1 1 -17 0   8  o 105.507 2.3611  1492.20   66.671    1535.03   96.665    1453.35   92.076    106.947 3.3745  104.068 3.3033  2.879738       4.722168 
1 1 1 -17 0   9  o 81.939  2.0425  896.589   44.705    993.516   65.526    812.190   61.146    86.065  2.8425  77.812  2.9338  8.253029       4.084952 
1 1 1 -17 0   10 o 111.134 3.4399  1657.81   102.397   0.0000    0.0000    1657.81   102.397   ?       ?       111.134 3.4399  ?              ?        
1 1 1 -17 0   11 o 239.161 6.5750  7789.17   421.117   7729.62   599.590   7847.14   591.589   238.217 9.3971  240.105 9.1988  -1.888199      13.15001 
1 1 1 -17 0   12 o 59.075  1.8629  467.998   29.432    468.205   42.823    467.812   40.518    59.085  2.7059  59.065  2.5611  0.2037430E-01  3.725758 
1 1 1 -17 0   13 o 92.869  2.2666  1158.76   56.308    1122.25   80.878    1193.10   78.442    91.442  3.3021  94.296  3.1058  -2.853867      4.533183 
1 1 1 -17 0   14 o 127.739 2.7596  2192.79   94.376    2157.00   134.827   2227.18   132.148   126.709 3.9727  128.768 3.8315  -2.059059      5.519247 
1 1 1 -17 0   15 o 65.862  2.0483  590.198   35.557    492.565   51.325    680.304   49.307    60.500  3.1784  71.223  2.5846  -10.72353      4.096647 
1 1 1 -17 0   16 o 229.768 4.4591  7130.66   274.414   7142.54   389.919   7119.01   386.267   229.950 6.3307  229.586 6.2814  0.3637695      8.918155 
1 1 1 -17 0   17 o 116.484 2.6084  1822.65   81.347    1828.41   116.906   1817.24   113.264   116.658 3.7414  116.311 3.6356  0.3465729      5.216882 
1 1 1 -17 0   18 o 36.853  1.8955  184.264   18.419    173.406   27.406    193.210   24.875    35.831  2.8799  37.874  2.4655  -2.042576      3.791089 
1 1 1 -17 0   19 o 79.720  2.1319  850.326   45.435    924.585   66.367    784.819   62.333    82.987  2.9858  76.454  3.0439  6.532936       4.263793 
1 1 1 -17 0   20 o 63.605  1.9945  542.569   33.890    551.280   49.940    535.135   46.139    64.072  2.9100  63.137  2.7283  0.9349518      3.988949 
1 1 1 -17 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 0   22 o 63.496  2.0110  537.777   34.063    606.691   50.595    480.642   46.068    67.191  2.8113  59.800  2.8761  7.390656       4.021901 
1 1 1 -17 0   23 o 100.528 2.4282  1358.42   65.304    1432.38   95.163    1292.60   89.781    103.106 3.4458  97.950  3.4221  5.155869       4.856383 
1 1 1 -17 0   24 o 68.009  2.1102  624.627   38.233    603.147   56.523    642.743   51.910    66.906  3.1540  69.111  2.8042  -2.204971      4.220363 
1 1 1 -17 0   25 o 29.626  2.1221  116.285   15.622    177.834   24.289    72.861    20.402    36.270  2.5157  22.982  3.4183  13.28748       4.244226 
1 1 1 -17 0   26 o 141.991 3.0960  2745.43   117.655   2751.15   169.840   2740.15   163.141   142.088 4.4627  141.895 4.2925  0.1930542      6.191970 
1 1 1 -17 0   27 o 34.623  2.0255  161.645   18.436    172.300   28.445    153.927   24.209    35.578  3.0133  33.668  2.7074  1.909409       4.050905 
1 1 1 -17 0   28 o 74.962  2.2639  766.095   45.075    723.043   67.091    801.515   60.855    72.964  3.4330  76.961  2.9521  -3.997147      4.527724 
1 1 1 -17 0   29 o 55.364  2.1153  418.223   30.906    401.506   46.949    431.007   41.056    54.277  3.2442  56.450  2.7153  -2.172821      4.230610 
1 1 1 -17 0   30 o 105.890 3.8820  1535.66   110.104   1535.66   110.104   0.0000    0.0000    105.890 3.8820  ?       ?       ?              ?        
1 1 1 -17 0   31 o 54.122  2.1749  401.598   30.916    388.918   47.618    410.837   40.648    53.282  3.3536  54.962  2.7700  -1.679741      4.349707 
1 1 1 -17 0   32 o 68.262  2.2886  642.722   41.148    603.549   62.592    672.536   54.606    66.237  3.5409  70.288  2.9005  -4.051895      4.577162 
1 1 1 -17 0   33 o 46.618  2.3405  311.783   27.614    248.195   43.233    355.603   35.890    42.175  3.8703  51.061  2.6331  -8.886898      4.681087 
1 1 1 -17 0   34 o 17.478  2.6921  36.275    12.981    82.564    22.235    12.342    15.988    24.199  3.5348  10.757  4.0613  13.44127       5.384148 
1 1 1 -17 0   35 o 27.835  2.6676  99.538    17.720    182.195   30.079    55.607    21.929    36.203  3.1328  19.467  4.3185  16.73567       5.335202 
1 1 1 -17 0   36 o 53.354  2.2873  393.516   31.936    417.618   50.778    377.742   41.078    54.515  3.4959  52.192  2.9505  2.322933       4.574591 
1 1 1 -17 0   37 o 19.531  3.4957  54.813    16.350    66.190    33.325    51.206    18.763    20.411  5.8144  18.651  3.8823  1.760904       6.991367 
1 1 1 -17 0   38 o 43.918  2.3506  261.907   26.645    324.478   44.719    227.467   33.177    47.674  3.5271  40.163  3.1083  7.510822       4.701243 
1 1 1 -17 0   39 o 31.839  2.7230  145.818   21.459    155.193   37.245    141.160   26.255    32.175  4.4399  31.503  3.1538  0.6724873      5.446087 
1 1 1 -17 0   40 o 15.498  3.4477  35.346    15.036    42.768    27.285    32.109    18.019    16.462  5.3782  14.535  4.3154  1.927407       6.895455 
1 1 1 -17 0   41 f 35.609  2.7876  184.606   24.505    199.440   43.132    177.535   29.777    36.067  4.5671  35.151  3.1977  0.9167175      5.575253 
1 1 1 -17 0   42 o 15.087  3.5239  37.614    16.532    26.173    30.613    42.324    19.642    13.854  5.5095  16.321  4.3951  -2.467239      7.047802 
1 1 1 -17 1   1  o 132.489 3.4244  2355.83   114.320   2376.18   199.206   2345.84   139.594   132.819 5.5996  132.159 3.9435  0.6591949      6.848812 
1 1 1 -17 1   2  o 224.159 5.4401  6861.91   304.767   6631.38   533.145   6973.81   371.438   220.893 9.0110  227.425 6.0976  -6.532455      10.88024 
1 1 1 -17 1   3  o 109.589 2.4448  1608.73   71.679    1718.06   103.796   1509.06   99.105    113.143 3.4250  106.034 3.4895  7.109268       4.889500 
1 1 1 -17 1   4  o 247.184 4.7611  8256.58   314.916   7878.82   446.852   8629.33   443.879   241.509 6.9078  252.858 6.5539  -11.34923      9.522145 
1 1 1 -17 1   5  o 109.379 2.4508  1617.11   71.261    1420.89   102.340   1801.80   99.285    102.874 3.7141  115.883 3.1987  -13.00883      4.901633 
1 1 1 -17 1   6  o 197.837 3.8436  5269.24   203.484   5583.19   290.266   4965.87   285.336   203.653 5.3213  192.022 5.5478  11.63139       7.687242 
1 1 1 -17 1   7  o 240.671 4.6063  7816.83   296.888   8025.19   422.449   7613.50   417.323   243.853 6.4678  237.490 6.5605  6.363541       9.212654 
1 1 1 -17 1   8  o 32.087  1.6368  137.962   13.898    145.941   20.983    131.727   18.550    32.906  2.3972  31.269  2.2294  1.637623       3.273692 
1 1 1 -17 1   9  o 89.352  2.1632  1069.49   51.730    1125.30   74.779    1018.27   71.638    91.585  3.0484  87.119  3.0700  4.465584       4.326373 
1 1 1 -17 1   10 o 101.103 2.3469  1370.85   63.531    1416.73   91.254    1327.70   88.501    102.743 3.3160  99.463  3.3220  3.280952       4.693744 
1 1 1 -17 1   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 1   12 o 151.093 3.0995  3069.25   125.248   3293.66   178.636   2852.26   175.658   156.542 4.2604  145.644 4.5028  10.89728       6.198900 
1 1 1 -17 1   13 o 132.022 2.8665  2345.39   101.214   2228.08   144.402   2458.69   141.906   128.758 4.1871  135.287 3.9161  -6.528778      5.733044 
1 1 1 -17 1   14 f 202.246 3.9745  5512.55   215.289   5599.58   306.215   5427.49   302.743   203.827 5.6089  200.665 5.6327  3.161835       7.948988 
1 1 1 -17 1   15 o 93.980  2.3621  1193.95   59.021    1051.84   84.818    1327.36   82.180    88.504  3.5780  99.456  3.0849  -10.95185      4.724249 
1 1 1 -17 1   16 f 98.683  2.3753  1307.68   62.734    1301.01   90.435    1313.86   87.098    98.435  3.4300  98.931  3.2869  -0.4955139     4.750657 
1 1 1 -17 1   17 o 90.211  2.2739  1094.02   54.843    1062.66   79.293    1122.79   75.936    88.962  3.3277  91.460  3.0997  -2.498184      4.547713 
1 1 1 -17 1   18 o 41.041  1.8723  224.873   20.364    258.563   30.372    197.357   27.448    43.825  2.5990  38.258  2.6958  5.566730       3.744580 
1 1 1 -17 1   19 o 118.723 2.6704  1895.16   84.870    1903.06   122.229   1887.81   117.935   118.954 3.8362  118.492 3.7159  0.4622345      5.340852 
1 1 1 -17 1   20 o 81.103  2.2123  886.778   47.863    842.655   69.826    925.880   65.735    79.179  3.2925  83.026  2.9559  -3.847076      4.424663 
1 1 1 -17 1   21 o 153.973 3.9437  3228.49   154.936   3263.97   192.541   3163.32   260.971   155.467 4.6237  152.479 6.3899  2.988327       7.887307 
1 1 1 -17 1   22 o 45.140  2.0389  278.466   24.150    250.063   36.226    301.186   32.400    42.997  3.1678  47.282  2.5680  -4.285046      4.077897 
1 1 1 -17 1   23 o 83.761  2.2567  944.059   50.516    955.208   74.153    934.405   69.006    84.208  3.2876  83.314  3.0923  0.8940430      4.513425 
1 1 1 -17 1   24 o 75.229  2.1595  760.019   43.403    796.014   64.210    729.737   58.895    76.854  3.1192  73.604  2.9874  3.249863       4.319046 
1 1 1 -17 1   25 o 55.755  2.0305  420.926   30.016    408.375   44.967    431.012   40.311    54.935  3.0683  56.574  2.6602  -1.639168      4.060916 
1 1 1 -17 1   26 o 60.614  2.0975  500.418   33.615    467.602   50.349    526.810   45.152    58.722  3.2133  62.507  2.6968  -3.785229      4.195011 
1 1 1 -17 1   27 o 44.262  2.0350  266.605   23.699    260.649   36.223    271.063   31.336    43.778  3.1094  44.745  2.6261  -0.9665947     4.069997 
1 1 1 -17 1   28 o 35.098  2.1069  169.330   19.254    160.145   29.711    175.980   25.281    34.199  3.2839  35.998  2.6404  -1.799534      4.213741 
1 1 1 -17 1   29 o 61.863  2.8676  518.435   47.515    0.0000    0.0000    518.435   47.515    ?       ?       61.863  2.8676  ?              ?        
1 1 1 -17 1   30 o 43.521  2.0787  254.447   23.825    283.270   37.170    234.349   31.039    45.558  3.0639  41.483  2.8101  4.074596       4.157396 
1 1 1 -17 1   31 o 57.526  2.1909  453.110   33.188    441.430   51.029    461.672   43.690    56.744  3.3726  58.307  2.7975  -1.563263      4.381828 
1 1 1 -17 1   32 o 38.547  2.2559  208.213   22.251    188.402   35.445    221.098   28.585    36.842  3.6395  40.252  2.6664  -3.410679      4.511704 
1 1 1 -17 1   33 o 52.210  2.2652  380.291   30.688    351.381   48.118    400.112   39.842    50.324  3.5934  54.095  2.7589  -3.771076      4.530333 
1 1 1 -17 1   34 o 24.672  2.6547  85.378    16.269    90.167    27.507    82.802    20.176    25.012  4.2584  24.332  3.1711  0.6802502      5.309438 
1 1 1 -17 1   35 o 12.436  3.0485  15.824    12.259    34.159    21.462    6.9440    14.936    15.324  4.7432  9.5470  3.8309  5.777029       6.097017 
1 1 1 -17 1   36 o 14.357  2.9446  31.558    13.518    6.7833    22.451    45.648    16.931    11.016  4.5888  17.698  3.6912  -6.682240      5.889197 
1 1 1 -17 1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 1   38 o 40.108  2.4883  229.557   25.463    233.564   42.062    227.240   31.990    40.028  3.9757  40.187  2.9934  -0.1586952     4.976658 
1 1 1 -17 1   39 o 26.864  3.0216  107.610   19.410    108.922   34.660    107.011   23.428    26.410  5.0843  27.318  3.2666  -0.9085274     6.043223 
1 1 1 -17 1   40 o 24.304  3.2337  89.796    19.113    93.753    33.560    87.896    23.252    24.153  5.3304  24.455  3.6625  -0.3025894     6.467353 
1 1 1 -17 1   41 o 8.1849  2.6859  -16.4798  11.920    4.8737    23.851    -23.5892  13.762    10.708  4.6059  5.6616  2.7642  5.046641       5.371738 
1 1 1 -17 1   42 o 11.114  3.2450  12.398    14.486    6.5311    28.963    14.355    16.729    11.479  5.0055  10.748  4.1310  0.7304745      6.490026 
1 1 1 -17 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 2   3  o 75.803  2.7546  770.593   55.928    0.0000    0.0000    770.593   55.928    ?       ?       75.803  2.7546  ?              ?        
1 1 1 -17 2   4  o 196.817 3.8419  5218.81   202.406   5046.38   287.703   5387.79   284.808   193.574 5.5489  200.061 5.3150  -6.486877      7.683714 
1 1 1 -17 2   5  o 138.540 2.9192  2585.86   108.005   2399.40   154.532   2763.94   151.013   133.623 4.3176  143.457 3.9301  -9.833725      5.838468 
1 1 1 -17 2   6  o 185.565 3.6635  4635.16   182.048   4596.44   259.630   4672.61   255.333   184.792 5.2455  186.339 5.1158  -1.547760      7.327088 
1 1 1 -17 2   7  o 48.969  1.7017  320.992   22.270    328.570   32.765    314.486   30.362    49.504  2.4711  48.434  2.3404  1.069733       3.403483 
1 1 1 -17 2   8  o 26.403  1.7337  96.458    11.805    77.813    17.399    112.363   16.069    23.928  2.7656  28.878  2.0916  -4.949808      3.467489 
1 1 1 -17 2   9  o 67.089  1.9054  603.108   34.225    621.707   49.302    585.808   47.548    68.086  2.7034  66.092  2.6859  1.994377       3.810885 
1 1 1 -17 2   10 o 18.680  1.9041  48.034    9.1907    44.309    13.398    51.345    12.631    17.950  2.8843  19.410  2.4867  -1.460215      3.808256 
1 1 1 -17 2   11 o 69.137  4.0786  644.467   75.193    644.467   75.193    0.0000    0.0000    69.137  4.0786  ?       ?       ?              ?        
1 1 1 -17 2   12 o 187.772 3.7447  4748.43   188.327   4763.60   267.841   4733.60   264.855   188.065 5.3172  187.480 5.2743  0.5844421      7.489350 
1 1 1 -17 2   13 o 166.458 3.3959  3729.29   151.361   3668.20   215.609   3788.65   212.538   165.101 4.8756  167.814 4.7285  -2.712753      6.791893 
1 1 1 -17 2   14 o 140.006 2.9866  2635.91   111.945   2590.60   159.955   2679.41   156.722   138.816 4.3020  141.195 4.1440  -2.378647      5.973257 
1 1 1 -17 2   15 o 126.819 2.7603  2159.35   93.715    2255.19   134.395   2068.65   130.747   129.559 3.8728  124.079 3.9341  5.480141       5.520503 
1 1 1 -17 2   16 o 52.711  1.8863  370.939   26.443    426.893   38.972    323.202   35.997    56.416  2.5790  49.007  2.7535  7.409729       3.772682 
1 1 1 -17 2   17 o 30.219  2.0857  128.929   15.851    92.638    23.455    159.433   21.504    26.038  3.4479  34.400  2.3478  -8.362524      4.171370 
1 1 1 -17 2   18 o 47.869  1.9179  305.454   23.923    405.608   35.730    224.081   32.206    54.990  2.4259  40.749  2.9713  14.24085       3.835784 
1 1 1 -17 2   19 o 64.894  2.0031  561.483   34.605    657.141   51.105    480.485   47.026    69.970  2.7269  59.819  2.9350  10.15014       4.006283 
1 1 1 -17 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 2   21 o 67.194  2.1017  607.000   37.686    605.623   55.714    608.162   51.167    67.113  3.0993  67.275  2.8395  -0.1619339     4.203411 
1 1 1 -17 2   22 o 7.2026  2.1415  -2.7163   7.8993    -17.9958  12.689    6.9528    10.094    5.8853  2.8189  8.5199  3.2245  -2.634685      4.282916 
1 1 1 -17 2   23 o 26.067  2.1235  90.029    14.093    125.224   21.881    65.079    18.423    30.394  2.7164  21.740  3.2646  8.653461       4.246927 
1 1 1 -17 2   24 o 25.420  2.2522  91.642    14.343    73.536    22.091    104.836   18.858    23.041  3.7050  27.799  2.5615  -4.757452      4.504305 
1 1 1 -17 2   25 o 55.634  1.9979  412.733   29.532    471.539   44.770    367.434   39.293    59.139  2.8263  52.130  2.8247  7.009495       3.995866 
1 1 1 -17 2   26 o 47.248  1.9901  297.186   24.852    347.984   38.224    259.989   32.709    50.695  2.8262  43.801  2.8027  6.893887       3.980274 
1 1 1 -17 2   27 o 32.612  2.1089  145.522   17.857    142.634   27.958    147.512   23.207    32.274  3.2798  32.950  2.6520  -0.6762657     4.217792 
1 1 1 -17 2   28 o 24.809  2.2909  81.721    14.563    103.829   23.500    67.938    18.555    27.468  3.2575  22.150  3.2219  5.317783       4.581744 
1 1 1 -17 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 2   30 o 50.933  2.0999  345.836   28.163    404.994   44.328    305.797   36.469    54.492  3.0493  47.374  2.8878  7.118046       4.199727 
1 1 1 -17 2   31 o 72.535  2.2722  714.365   43.786    749.384   66.934    688.170   57.891    74.008  3.3766  71.063  3.0414  2.945129       4.544384 
1 1 1 -17 2   32 f 13.785  2.7977  28.541    11.823    8.5307    20.214    38.947    14.577    11.013  4.4434  16.557  3.4008  -5.544245      5.595493 
1 1 1 -17 2   33 o 53.268  2.1941  384.396   30.728    427.738   48.564    355.460   39.680    55.658  3.2720  50.878  2.9240  4.779171       4.388173 
1 1 1 -17 2   34 o 30.715  2.4846  129.035   19.430    146.794   32.531    119.186   24.226    32.189  3.8495  29.241  3.1424  2.947996       4.969237 
1 1 1 -17 2   35 f 13.175  3.1135  18.731    12.774    39.932    22.633    8.8203    15.475    16.387  4.8290  9.9634  3.9314  6.423651       6.226997 
1 1 1 -17 2   36 o 55.533  2.4116  436.970   34.584    424.567   55.649    444.775   44.145    54.520  3.8352  56.545  2.9247  -2.024830      4.823111 
1 1 1 -17 2   37 o 13.626  5.0792  24.208    24.845    24.208    24.845    0.0000    0.0000    13.626  5.0792  ?       ?       ?              ?        
1 1 1 -17 2   38 o 11.033  3.1682  10.048    13.229    14.180    25.680    8.5556    15.434    12.284  4.9899  9.7833  3.9053  2.500204       6.336466 
1 1 1 -17 2   39 o 32.097  2.8661  152.761   22.360    150.312   38.945    153.965   27.310    31.313  4.7962  32.881  3.1390  -1.568695      5.732104 
1 1 1 -17 2   40 o 19.768  3.5706  59.694    17.842    71.973    32.459    54.379    21.357    20.775  5.6733  18.761  4.3369  2.014450       7.141134 
1 1 1 -17 2   41 o 19.917  3.6086  65.709    18.472    63.082    33.447    66.863    22.158    19.000  5.9279  20.834  4.1166  -1.834688      7.217114 
1 1 1 -17 2   42 o 18.814  3.6845  53.294    17.833    85.378    33.857    40.975    20.979    21.873  5.7157  15.754  4.6512  6.119337       7.368979 
1 1 1 -17 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 3   4  o 82.024  2.0098  900.891   44.119    943.714   63.926    861.943   60.965    83.882  2.8453  80.165  2.8393  3.716156       4.019573 
1 1 1 -17 3   5  o 69.454  1.8940  647.912   35.127    632.533   51.370    661.418   48.141    68.675  2.7927  70.234  2.5591  -1.558662      3.787902 
1 1 1 -17 3   6  o 170.549 3.4217  3912.82   156.286   3893.00   222.552   3932.10   219.524   170.115 4.8843  170.982 4.7934  -0.8661652     6.843431 
1 1 1 -17 3   7  f 149.024 3.0821  2985.23   123.007   2961.91   174.987   3008.01   172.947   148.443 4.4011  149.604 4.3160  -1.161331      6.164190 
1 1 1 -17 3   8  o 111.487 2.5055  1668.84   74.801    1656.01   106.690   1681.25   104.903   111.062 3.5865  111.912 3.4996  -0.8499908     5.011017 
1 1 1 -17 3   9  o 197.622 3.8885  5261.01   205.824   5304.57   292.371   5218.21   289.804   198.432 5.5009  196.811 5.4975  1.621277       7.777027 
1 1 1 -17 3   10 o 36.766  3.5881  183.212   34.884    0.0000    0.0000    183.212   34.884    ?       ?       36.766  3.5881  ?              ?        
1 1 1 -17 3   11 o 174.198 3.5249  4086.25   164.388   3978.09   233.842   4191.93   231.140   171.902 5.0787  176.495 4.8894  -4.593079      7.049789 
1 1 1 -17 3   12 o 25.013  1.9288  85.840    12.539    76.995    18.583    93.231    16.989    23.770  2.9846  26.255  2.4439  -2.485352      3.857501 
1 1 1 -17 3   13 o 176.818 3.5998  4217.64   170.113   3932.69   242.083   4495.61   239.098   170.869 5.2895  182.767 4.8842  -11.89771      7.199541 
1 1 1 -17 3   14 o 74.520  2.0715  742.744   41.107    860.995   59.900    637.475   56.516    80.115  2.7914  68.924  3.0613  11.19067       4.142911 
1 1 1 -17 3   15 o 141.048 2.9867  2673.25   112.802   2762.21   161.650   2588.81   157.485   143.335 4.2105  138.760 4.2373  4.575409       5.973496 
1 1 1 -17 3   16 o 168.244 3.4111  3809.94   153.682   3926.73   219.670   3697.97   215.080   170.772 4.8025  165.715 4.8456  5.057022       6.822283 
1 1 1 -17 3   17 o 133.477 2.8847  2394.41   103.095   2466.37   148.166   2326.87   143.542   135.419 4.0849  131.535 4.0743  3.884109       5.769393 
1 1 1 -17 3   18 o 67.681  2.0392  613.814   36.891    631.358   54.236    598.708   50.327    68.576  2.9528  66.787  2.8134  1.789085       4.078463 
1 1 1 -17 3   19 o 30.656  2.0445  130.444   16.111    109.298   24.413    146.758   21.443    28.331  3.2777  32.981  2.4447  -4.650221      4.089004 
1 1 1 -17 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 3   21 o 77.432  2.2660  815.858   46.453    716.348   68.144    902.243   63.491    72.938  3.4881  81.926  2.8934  -8.987823      4.531921 
1 1 1 -17 3   22 o 26.551  2.0858  93.825    14.335    120.023   22.064    74.691    18.856    29.744  2.8025  23.357  3.0900  6.387882       4.171530 
1 1 1 -17 3   23 o 80.780  2.2442  879.279   48.402    882.181   71.402    876.811   65.837    80.883  3.2958  80.677  3.0467  0.2063675      4.488314 
1 1 1 -17 3   24 o 71.025  2.1440  680.185   40.613    682.054   60.322    678.636   54.928    71.092  3.1679  70.959  2.8900  0.1330032      4.288063 
1 1 1 -17 3   25 o 37.593  1.9957  190.546   19.756    199.698   30.392    183.849   25.997    38.346  2.9825  36.839  2.6525  1.507172       3.991356 
1 1 1 -17 3   26 o 45.883  2.0046  283.025   24.310    303.462   37.334    267.981   32.031    47.288  2.9625  44.478  2.7015  2.810505       4.009265 
1 1 1 -17 3   27 o 84.262  2.3110  957.619   51.977    1035.05   77.567    894.516   70.023    87.319  3.3165  81.206  3.2193  6.112373       4.622020 
1 1 1 -17 3   28 o 34.332  2.2002  163.942   19.427    148.093   30.389    174.896   25.263    32.795  3.5142  35.868  2.6483  -3.072845      4.400357 
1 1 1 -17 3   29 o 40.761  3.3263  227.756   36.000    227.756   36.000    0.0000    0.0000    40.761  3.3263  ?       ?       ?              ?        
1 1 1 -17 3   30 o 93.166  2.5415  1192.35   62.980    1156.65   93.928    1221.51   84.889    91.760  3.8217  94.572  3.3512  -2.812370      5.082911 
1 1 1 -17 3   31 o 22.557  2.6414  65.723    14.731    110.786   24.693    40.826    18.355    28.264  3.3253  16.849  4.1049  11.41565       5.282790 
1 1 1 -17 3   32 o 32.430  2.2907  140.358   19.180    171.409   31.519    122.098   24.170    35.148  3.3899  29.711  3.0819  5.436905       4.581491 
1 1 1 -17 3   33 o 15.265  3.0215  35.116    12.822    24.858    22.169    40.273    15.718    13.792  4.8448  16.739  3.6118  -2.946427      6.042985 
1 1 1 -17 3   34 o 37.391  2.3325  189.476   22.507    220.643   37.266    171.580   28.238    39.636  3.5477  35.147  3.0292  4.489147       4.665032 
1 1 1 -17 3   35 o 31.257  2.5092  137.446   19.973    143.881   32.798    133.652   25.180    31.627  3.9583  30.887  3.0848  0.7399712      5.018363 
1 1 1 -17 3   36 o 24.999  3.4556  89.573    22.520    0.0000    0.0000    89.573    22.520    ?       ?       24.999  3.4556  ?              ?        
1 1 1 -17 3   37 o 20.538  3.2658  69.466    16.789    49.381    29.919    78.696    20.283    17.675  5.6191  23.402  3.3298  -5.727123      6.531619 
1 1 1 -17 3   38 o 27.780  2.8251  102.853   19.355    155.394   34.697    79.117    23.321    32.437  4.0841  23.122  3.9046  9.314840       5.650286 
1 1 1 -17 3   39 f 11.375  3.0888  15.106    13.683    -5.8888   26.457    22.772    15.987    10.236  4.6047  12.513  4.1182  -2.276709      6.177593 
1 1 1 -17 3   40 o 17.852  3.4828  40.543    16.670    85.976    31.769    23.279    19.583    22.952  5.2778  12.752  4.5459  10.20043       6.965609 
1 1 1 -17 3   41 f 29.714  3.1211  129.717   22.385    161.932   41.321    116.336   26.631    31.552  5.0604  27.875  3.6549  3.677204       6.242293 
1 1 1 -17 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 4   4  o 71.035  1.9740  684.831   37.112    594.665   54.249    764.154   50.882    66.578  3.0421  75.492  2.5164  -8.914497      3.947958 
1 1 1 -17 4   5  o 226.789 4.3703  6939.77   265.247   7306.89   376.679   6578.67   373.573   232.776 6.0415  220.802 6.3166  11.97443       8.740653 
1 1 1 -17 4   6  o 236.141 4.5494  7527.06   287.745   7595.17   407.989   7459.65   405.884   237.208 6.4214  235.075 6.4462  2.132874       9.098821 
1 1 1 -17 4   7  o 231.051 4.4762  7206.52   276.963   7074.60   392.820   7336.94   390.559   228.927 6.4063  233.176 6.2534  -4.249435      8.952400 
1 1 1 -17 4   8  o 55.598  1.8578  417.586   27.442    378.190   39.675    453.719   37.997    53.026  2.8034  58.171  2.4386  -5.145813      3.715675 
1 1 1 -17 4   9  o 83.462  2.1780  939.688   48.422    846.680   69.585    1027.01   67.423    79.427  3.2709  87.498  2.8769  -8.071373      4.356028 
1 1 1 -17 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 4   11 o 208.148 4.1879  5861.23   232.602   5304.87   330.195   6409.25   327.715   198.238 6.2186  218.057 5.6110  -19.81999      8.375819 
1 1 1 -17 4   12 o 107.235 2.4848  1542.18   71.287    1652.09   102.590   1439.56   99.129    110.930 3.4528  103.540 3.5744  7.389893       4.969695 
1 1 1 -17 4   13 o 158.198 3.3086  3372.53   139.965   3193.52   199.694   3545.38   196.232   154.040 4.8400  162.356 4.5125  -8.316513      6.617216 
1 1 1 -17 4   14 o 88.693  2.2535  1054.92   53.490    1077.33   77.533    1034.56   73.890    89.588  3.2311  87.798  3.1421  1.790871       4.506919 
1 1 1 -17 4   15 o 34.804  1.8675  163.104   17.215    166.900   25.580    159.961   23.275    35.166  2.7373  34.441  2.5410  0.7244682      3.734930 
1 1 1 -17 4   16 o 42.977  1.8861  247.906   21.523    257.994   32.095    239.662   29.014    43.764  2.7520  42.190  2.5799  1.574417       3.772168 
1 1 1 -17 4   17 o 25.594  2.0610  87.624    13.551    115.435   20.535    66.171    18.036    29.211  2.6535  21.976  3.1544  7.235020       4.122051 
1 1 1 -17 4   18 o 70.477  2.0770  664.683   39.131    704.325   57.572    630.643   53.349    72.422  2.9679  68.533  2.9063  3.888985       4.153938 
1 1 1 -17 4   19 o 111.503 2.6525  1680.12   78.894    1568.10   114.249   1782.22   109.076   107.906 3.9529  115.101 3.5380  -7.195145      5.305048 
1 1 1 -17 4   20 o 89.066  2.8085  1085.01   64.418    1128.24   81.867    1014.72   104.382   91.572  3.3378  86.561  4.5177  5.010727       5.617018 
1 1 1 -17 4   21 o 70.386  2.1654  669.056   40.581    640.415   60.003    693.201   55.092    68.973  3.2479  71.800  2.8647  -2.827461      4.330732 
1 1 1 -17 4   22 o 38.499  1.9863  198.577   20.176    214.762   30.976    186.649   26.591    39.840  2.9232  37.157  2.6900  2.682556       3.972536 
1 1 1 -17 4   23 o 45.146  1.9744  273.763   23.591    289.510   35.923    261.822   31.282    46.267  2.9136  44.026  2.6653  2.240681       3.948803 
1 1 1 -17 4   24 o 93.698  2.4214  1186.30   60.612    1202.77   89.241    1172.20   82.583    94.271  3.5343  93.125  3.3108  1.146027       4.842772 
1 1 1 -17 4   25 o 14.541  2.6950  29.906    10.440    28.232    16.982    30.922    13.237    14.263  4.1772  14.819  3.4063  -0.5554361     5.390011 
1 1 1 -17 4   26 o 58.656  2.1403  469.387   33.127    445.393   50.200    487.894   44.089    57.217  3.2894  60.095  2.7391  -2.877693      4.280531 
1 1 1 -17 4   27 o 60.226  2.1596  493.698   34.405    483.481   52.197    501.547   45.750    59.573  3.2839  60.880  2.8056  -1.306625      4.319164 
1 1 1 -17 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 4   29 f 53.268  2.1489  385.722   30.150    395.177   46.681    378.954   39.493    53.756  3.2575  52.779  2.8037  0.9767609      4.297864 
1 1 1 -17 4   30 o 13.934  2.9749  25.681    11.641    33.514    19.710    21.485    14.426    15.366  4.5003  12.502  3.8919  2.863613       5.949771 
1 1 1 -17 4   31 o 24.311  2.6141  84.395    15.886    78.121    25.555    88.346    20.280    23.371  4.2384  25.251  3.0610  -1.880419      5.228194 
1 1 1 -17 4   32 o 11.827  2.8964  12.972    11.327    31.548    19.549    3.5838    13.897    14.867  4.5132  8.7878  3.6313  6.078860       5.792716 
1 1 1 -17 4   33 o 49.864  2.3278  345.454   30.153    344.695   48.114    345.945   38.694    49.618  3.6458  50.110  2.8953  -0.4917030     4.655592 
1 1 1 -17 4   34 o 62.912  2.3411  545.057   38.725    593.632   61.162    512.554   50.031    65.059  3.5229  60.764  3.0841  4.295635       4.682199 
1 1 1 -17 4   35 f 11.040  2.5626  -9.7522   10.932    43.820    20.738    -30.3684  12.865    17.067  4.4799  5.0136  2.4896  12.05302       5.125195 
1 1 1 -17 4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 4   37 o 14.873  3.1797  23.514    14.180    61.479    25.968    7.3858    16.926    19.847  4.9116  9.8991  4.0395  9.947453       6.359413 
1 1 1 -17 4   38 o 10.917  3.1187  9.4130    13.182    17.584    23.781    5.7892    15.837    12.431  4.8836  9.4024  3.8802  3.028152       6.237381 
1 1 1 -17 4   39 o 19.154  3.5339  61.003    17.895    49.486    32.068    66.211    21.564    17.348  5.8360  20.960  3.9868  -3.611153      7.067770 
1 1 1 -17 4   40 o 21.504  3.5078  71.397    18.668    86.240    33.615    64.778    22.448    22.579  5.5883  20.428  4.2413  2.151035       7.015555 
1 1 1 -17 4   41 o 11.796  3.3776  16.706    15.344    11.619    30.889    18.372    17.680    12.099  5.2227  11.493  4.2845  0.6058607      6.755278 
1 1 1 -17 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 5   3  o 136.324 4.0287  2510.66   146.724   2377.12   211.317   2634.96   203.880   132.778 5.9418  139.869 5.4421  -7.091797      8.057386 
1 1 1 -17 5   4  o 150.932 3.1096  3061.84   125.702   3106.38   178.985   3018.48   176.578   152.016 4.3958  149.849 4.3994  2.166809       6.219167 
1 1 1 -17 5   5  o 170.668 3.4352  3918.51   157.027   3952.19   223.469   3885.67   220.696   171.391 4.8679  169.945 4.8484  1.445450       6.870456 
1 1 1 -17 5   6  o 297.384 5.6464  11992.67  449.716   12201.22  637.586   11786.19  634.415   299.979 7.9352  294.788 8.0348  5.191833       11.29272 
1 1 1 -17 5   7  o 162.034 3.3501  3538.47   145.092   3306.35   206.482   3764.87   203.925   156.747 4.9181  167.320 4.5502  -10.57378      6.700147 
1 1 1 -17 5   8  o 284.570 5.4057  10973.72  411.944   11272.47  584.482   10678.84  580.690   288.453 7.5650  280.687 7.7238  7.766296       10.81140 
1 1 1 -17 5   9  o 187.709 3.7596  4748.51   188.928   4618.87   268.761   4875.15   265.636   185.154 5.4193  190.264 5.2125  -5.109985      7.519227 
1 1 1 -17 5   10 o 238.334 6.5997  7749.54   421.053   7509.12   598.717   7984.81   592.253   234.585 9.5287  242.083 9.1338  -7.498444      13.19933 
1 1 1 -17 5   11 o 115.559 2.5822  1791.28   79.795    1939.38   114.861   1653.13   110.937   120.177 3.5683  110.940 3.7333  9.236900       5.164360 
1 1 1 -17 5   12 f 156.965 3.2479  3315.30   136.501   3278.43   195.093   3350.66   191.054   156.099 4.6661  157.832 4.5193  -1.732681      6.495883 
1 1 1 -17 5   13 o 175.148 3.5194  4128.93   164.973   4364.10   235.784   3903.39   230.906   180.049 4.8892  170.248 5.0637  9.800690       7.038802 
1 1 1 -17 5   14 o 162.478 3.3743  3556.35   146.735   3460.92   209.743   3647.83   205.356   160.322 4.8843  164.634 4.6569  -4.312653      6.748603 
1 1 1 -17 5   15 o 115.184 2.6398  1784.34   81.339    1746.88   117.275   1819.07   112.910   114.006 3.8405  116.361 3.6227  -2.354553      5.279540 
1 1 1 -17 5   16 o 177.688 3.6377  4260.84   173.002   4147.90   247.211   4369.24   242.190   175.350 5.2635  180.026 5.0226  -4.676163      7.275395 
1 1 1 -17 5   17 o 116.038 2.6120  1806.28   80.912    2023.85   117.337   1609.03   111.722   122.700 3.5703  109.376 3.8135  13.32385       5.223953 
1 1 1 -17 5   18 o 191.719 3.8314  4969.82   196.708   5085.38   281.353   4859.31   275.126   193.898 5.4174  189.539 5.4193  4.359497       7.662702 
1 1 1 -17 5   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 5   20 o 54.155  2.0423  396.013   29.329    385.517   43.936    404.448   39.389    53.447  3.0822  54.863  2.6804  -1.415749      4.084672 
1 1 1 -17 5   21 o 87.397  2.3567  1032.27   54.917    991.787   80.676    1067.22   74.966    85.766  3.5119  89.027  3.1438  -3.261353      4.713474 
1 1 1 -17 5   22 f 114.695 2.6776  1776.58   82.145    1810.90   119.789   1746.11   112.862   115.718 3.8648  113.673 3.7068  2.044632       5.355114 
1 1 1 -17 5   23 o 51.459  2.0848  361.908   28.226    327.760   42.398    389.089   37.826    49.164  3.2378  53.754  2.6272  -4.590851      4.169552 
1 1 1 -17 5   24 o 32.070  2.0639  140.254   17.303    138.100   26.556    141.843   22.809    31.811  3.1585  32.330  2.6575  -0.5192223     4.127783 
1 1 1 -17 5   25 o 43.485  2.1210  261.153   24.024    231.786   36.610    283.362   31.838    41.217  3.3450  45.754  2.6087  -4.536537      4.242005 
1 1 1 -17 5   26 o 40.828  2.1161  229.808   22.454    211.611   34.816    242.768   29.382    39.339  3.3356  42.316  2.6049  -2.977821      4.232264 
1 1 1 -17 5   27 o 14.468  2.8172  28.572    11.072    35.026    17.819    24.512    14.132    15.702  4.1674  13.235  3.7920  2.467800       5.634372 
1 1 1 -17 5   28 o 35.963  4.5845  181.518   43.156    181.518   43.156    0.0000    0.0000    35.963  4.5845  ?       ?       ?              ?        
1 1 1 -17 5   29 o 36.041  2.2459  179.507   20.880    173.189   33.192    183.645   26.861    35.398  3.5485  36.683  2.7540  -1.284248      4.491815 
1 1 1 -17 5   30 o 30.277  2.2975  120.709   17.874    159.752   29.336    97.659    22.541    34.020  3.2593  26.534  3.2388  7.486349       4.594914 
1 1 1 -17 5   31 o 30.124  2.3705  122.464   18.376    144.045   30.104    109.648   23.200    32.129  3.5579  28.120  3.1335  4.009256       4.741060 
1 1 1 -17 5   32 f 11.807  2.6566  4.9092    10.942    42.488    19.883    -11.4162  13.105    17.041  4.3434  6.5731  3.0601  10.46746       5.313116 
1 1 1 -17 5   33 o 33.882  2.4247  157.968   21.185    176.040   34.553    147.084   26.816    35.284  3.7118  32.480  3.1208  2.803886       4.849446 
1 1 1 -17 5   34 o 11.146  3.0656  12.254    12.414    14.989    22.097    10.993    15.005    12.064  4.7168  10.229  3.9169  1.835402       6.131124 
1 1 1 -17 5   35 o 16.245  4.1148  39.456    17.924    0.0000    0.0000    39.456    17.924    ?       ?       16.245  4.1148  ?              ?        
1 1 1 -17 5   36 o 16.613  3.4487  39.899    15.426    51.641    27.785    34.667    18.547    18.079  5.3566  15.148  4.3453  2.931657       6.897450 
1 1 1 -17 5   37 o 30.646  2.7167  127.058   20.924    181.387   36.171    99.734    25.652    35.208  3.9012  26.085  3.7818  9.123034       5.433359 
1 1 1 -17 5   38 o 10.061  3.0448  -0.3455   13.266    16.303    25.357    -6.6189   15.565    12.416  4.9882  7.7059  3.4930  4.709690       6.089601 
1 1 1 -17 5   39 o 17.938  3.6700  49.890    17.325    60.048    32.620    45.899    20.447    18.770  5.8539  17.107  4.4281  1.662951       7.340019 
1 1 1 -17 5   40 o 13.750  3.5020  29.631    16.588    16.756    30.529    35.025    19.759    12.712  5.3276  14.789  4.5468  -2.077052      7.004064 
1 1 1 -17 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 6   2  o 246.311 9.5222  8271.36   628.219   0.0000    0.0000    8271.36   628.219   ?       ?       246.311 9.5222  ?              ?        
1 1 1 -17 6   3  o 177.771 3.5592  4253.39   169.467   4297.04   240.796   4210.55   238.546   178.675 5.0315  176.867 5.0354  1.807968       7.118370 
1 1 1 -17 6   4  o 206.903 4.0463  5770.55   224.086   6061.40   318.961   5487.07   314.889   212.076 5.6151  201.730 5.8277  10.34621       8.092685 
1 1 1 -17 6   5  o 211.019 4.1461  6006.37   234.282   5905.38   333.117   6105.22   329.561   209.244 5.9437  212.795 5.7821  -3.551376      8.292160 
1 1 1 -17 6   6  o 23.942  1.7308  76.842    10.782    95.883    16.111    61.399    14.510    26.646  2.2794  21.238  2.6053  5.407364       3.461653 
1 1 1 -17 6   7  o 108.721 2.4650  1587.19   71.307    1838.29   102.768   1354.06   99.023    117.030 3.2785  100.411 3.6818  16.61840       4.929918 
1 1 1 -17 6   8  o 140.467 2.9668  2650.93   111.594   2722.65   159.773   2582.63   155.934   142.322 4.1912  138.613 4.2000  3.708969       5.933504 
1 1 1 -17 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 6   10 o 103.224 2.4310  1429.07   67.174    1476.11   97.031    1385.77   93.087    104.853 3.4550  101.596 3.4208  3.256882       4.861948 
1 1 1 -17 6   11 o 89.783  2.6745  1058.47   60.609    1155.12   107.179   1013.04   73.488    92.686  4.3172  86.880  3.1580  5.806847       5.348935 
1 1 1 -17 6   12 o 71.808  1.9709  691.720   37.857    645.296   53.075    739.803   54.015    69.352  2.8572  74.264  2.7155  -4.911484      3.941735 
1 1 1 -17 6   13 o 72.359  1.9663  702.411   38.077    664.543   53.474    741.361   54.233    70.378  2.8368  74.339  2.7237  -3.961731      3.932633 
1 1 1 -17 6   14 o 129.651 2.7686  2259.48   96.142    2258.33   135.587   2260.64   136.347   129.619 3.9053  129.683 3.9253  -0.6378174E-01 5.537129 
1 1 1 -17 6   15 o 84.110  2.1493  949.588   48.416    931.809   68.049    967.814   68.900    83.312  3.0495  84.908  3.0296  -1.595657      4.298547 
1 1 1 -17 6   16 o 70.001  1.9938  657.682   37.381    651.970   52.469    663.570   53.271    69.693  2.8107  70.310  2.8287  -0.6162567     3.987690 
1 1 1 -17 6   17 o 149.906 3.0763  3028.21   123.518   3012.72   174.343   3043.82   175.021   149.521 4.3533  150.292 4.3478  -0.7710724     6.152560 
1 1 1 -17 6   18 o 91.433  3.2343  1124.08   79.208    0.0000    0.0000    1124.08   79.208    ?       ?       91.433  3.2343  ?              ?        
1 1 1 -17 6   19 o 81.592  2.1727  895.389   47.478    902.073   66.806    888.569   67.487    81.902  3.0453  81.281  3.0998  0.6213455      4.345431 
1 1 1 -17 6   20 o 79.432  2.1336  848.962   45.393    843.416   63.878    854.620   64.516    79.170  3.0123  79.693  3.0224  -0.5229034     4.267225 
1 1 1 -17 6   21 o 75.887  2.1267  776.837   43.138    830.977   60.833    722.078   61.180    78.567  2.8908  73.207  3.1201  5.360023       4.253417 
1 1 1 -17 6   22 o 78.461  2.7337  833.840   53.004    837.961   95.055    831.981   63.853    78.374  4.5476  78.549  3.0349  -0.1756363     5.467340 
1 1 1 -17 6   23 o 50.587  1.9926  341.631   26.703    387.177   40.803    307.513   35.315    53.499  2.8578  47.675  2.7776  5.823719       3.985237 
1 1 1 -17 6   24 o 30.082  2.1585  125.481   16.625    114.910   26.203    132.604   21.508    28.914  3.4516  31.251  2.5929  -2.336872      4.317016 
1 1 1 -17 6   25 o 50.074  2.1057  341.878   27.715    332.433   42.581    348.820   36.506    49.407  3.2355  50.742  2.6957  -1.335049      4.211347 
1 1 1 -17 6   26 o 10.871  2.6368  10.935    9.7299    25.767    15.749    1.7801    12.374    13.612  4.0328  8.1287  3.3982  5.483788       5.273620 
1 1 1 -17 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 6   28 o 49.755  2.1304  333.228   27.913    366.911   43.728    310.065   36.262    51.807  3.1664  47.704  2.8510  4.102985       4.260825 
1 1 1 -17 6   29 o 32.126  2.6564  157.199   20.011    100.557   31.842    194.172   25.726    26.501  4.6558  37.752  2.5593  -11.25038      5.312861 
1 1 1 -17 6   30 o 43.142  2.2111  252.462   24.859    273.704   39.965    239.057   31.749    44.513  3.3772  41.770  2.8548  2.742924       4.422122 
1 1 1 -17 6   31 o 78.735  2.3899  846.560   49.981    924.973   76.877    789.149   65.781    81.767  3.5102  75.702  3.2441  6.064888       4.779731 
1 1 1 -17 6   32 o 48.361  2.3070  322.546   28.946    336.102   46.826    314.162   36.825    48.995  3.5933  47.727  2.8943  1.267262       4.613954 
1 1 1 -17 6   33 o 36.557  2.4347  186.004   22.713    196.758   37.787    179.921   28.421    37.157  3.8528  35.957  2.9778  1.199970       4.869414 
1 1 1 -17 6   34 o 14.556  3.2193  31.454    13.682    27.272    23.524    33.592    16.820    14.069  4.9858  15.043  4.0739  -0.9741669     6.438532 
1 1 1 -17 6   35 o 31.434  4.5563  147.761   37.243    147.761   37.243    0.0000    0.0000    31.434  4.5563  ?       ?       ?              ?        
1 1 1 -17 6   36 o 32.844  2.6682  154.380   22.123    166.225   37.215    147.906   27.513    33.473  4.2463  32.215  3.2321  1.257996       5.336437 
1 1 1 -17 6   37 o 11.075  3.2142  9.1288    13.639    16.023    26.840    6.7284    15.837    12.606  5.1082  9.5446  3.9026  3.061252       6.428347 
1 1 1 -17 6   38 o 28.652  2.9541  112.826   21.007    170.489   36.593    84.480    25.656    33.730  4.1371  23.575  4.2179  10.15499       5.908125 
1 1 1 -17 6   39 o 9.1110  2.9023  -2.4953   13.764    -20.2895  28.512    2.9120    15.717    9.3825  4.4148  8.8396  3.7688  0.5428581      5.804689 
1 1 1 -17 7   1  o 57.530  2.2218  441.584   31.116    453.603   57.594    436.630   36.977    57.996  3.7273  57.064  2.4192  0.9317169      4.443568 
1 1 1 -17 7   2  o 97.881  2.2622  1284.97   59.282    1339.32   84.938    1233.35   82.780    99.899  3.1743  95.863  3.2239  4.036346       4.524386 
1 1 1 -17 7   3  o 117.018 2.5336  1839.54   79.288    1711.54   111.514   1970.40   112.757   112.890 3.6879  121.145 3.4750  -8.255386      5.067177 
1 1 1 -17 7   4  o 19.177  1.6828  50.258    8.3627    42.183    11.717    58.642    11.939    17.551  2.5685  20.802  2.1749  -3.251251      3.365645 
1 1 1 -17 7   5  o 158.142 3.2687  3364.44   138.444   3407.38   195.695   3321.42   195.884   159.157 4.5906  157.127 4.6544  2.029938       6.537304 
1 1 1 -17 7   6  o 74.914  2.0044  753.223   40.167    705.626   56.565    801.639   57.049    72.522  2.9120  77.306  2.7552  -4.783875      4.008800 
1 1 1 -17 7   7  o 190.391 3.8051  4885.56   193.990   5014.94   274.160   4755.83   274.529   192.932 5.3053  187.849 5.4562  5.082565       7.610273 
1 1 1 -17 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 7   9  o 98.118  2.3510  1292.60   61.777    1310.04   87.000    1274.86   87.736    98.788  3.2879  97.448  3.3614  1.340538       4.702072 
1 1 1 -17 7   10 o 147.612 3.0422  2929.82   120.277   2903.38   169.639   2956.55   170.559   146.941 4.3102  148.282 4.2943  -1.341537      6.084311 
1 1 1 -17 7   11 o 21.239  1.9319  61.353    10.697    55.061    14.757    68.320    15.528    20.063  2.8243  22.415  2.6368  -2.352476      3.863890 
1 1 1 -17 7   12 f 63.021  1.8690  532.595   31.528    506.331   44.185    559.838   45.001    61.437  2.6851  64.605  2.6006  -3.167969      3.737976 
1 1 1 -17 7   13 o 135.936 2.9531  2485.34   107.513   2509.55   151.656   2460.88   152.440   136.606 4.1448  135.266 4.2075  1.339691       5.906114 
1 1 1 -17 7   14 o 36.018  1.7474  174.656   16.747    168.370   23.265    181.415   24.126    35.343  2.4732  36.693  2.4691  -1.350487      3.494726 
1 1 1 -17 7   15 o 117.362 2.6528  1852.37   83.379    1879.64   117.477   1824.69   118.359   118.238 3.7094  116.486 3.7935  1.751511       5.305696 
1 1 1 -17 7   16 o 149.652 3.0905  3017.92   123.876   3031.35   174.742   3004.35   175.637   149.991 4.3495  149.313 4.3917  0.6781464      6.181028 
1 1 1 -17 7   17 f 83.420  2.1647  935.109   48.365    920.657   67.964    949.936   68.842    82.767  3.0657  84.073  3.0571  -1.306625      4.329484 
1 1 1 -17 7   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 7   19 o 86.240  2.2361  1001.09   51.649    999.454   72.593    1002.76   73.501    86.172  3.1452  86.309  3.1794  -0.1376266     4.472198 
1 1 1 -17 7   20 o 35.509  1.8334  170.393   17.311    168.662   24.116    172.233   24.865    35.326  2.5662  35.693  2.6191  -0.3673897     3.666775 
1 1 1 -17 7   21 o 72.010  2.0322  698.467   39.193    688.652   55.056    708.552   55.807    71.497  2.8749  72.523  2.8729  -1.025955      4.064330 
1 1 1 -17 7   22 o 80.657  2.1572  878.207   46.601    879.005   65.551    877.392   66.262    80.698  3.0327  80.616  3.0687  0.8158112E-01  4.314414 
1 1 1 -17 7   23 o 15.034  2.3965  31.621    9.4098    28.498    12.813    35.277    13.864    14.223  3.4079  15.845  3.3704  -1.621881      4.793028 
1 1 1 -17 7   24 o 25.195  1.9687  86.800    13.060    86.651    18.246    86.956    18.703    25.179  2.7501  25.211  2.8178  -0.3218842E-01 3.937405 
1 1 1 -17 7   25 o 58.385  1.9662  462.315   30.657    482.849   43.045    441.177   43.674    59.757  2.6893  57.013  2.8691  2.743896       3.932438 
1 1 1 -17 7   26 o 55.925  1.9720  424.211   29.488    426.332   41.537    422.056   41.870    56.106  2.7640  55.744  2.8134  0.3615265      3.943934 
1 1 1 -17 7   27 o 129.278 3.5864  2358.92   117.109   2416.14   144.767   2250.56   199.204   132.504 4.0790  126.051 5.9001  6.453255       7.172852 
1 1 1 -17 7   28 o 18.631  2.4224  48.959    11.637    46.656    16.528    51.224    16.387    18.161  3.5248  19.100  3.3239  -0.9384766     4.844892 
1 1 1 -17 7   29 o 18.710  3.2187  47.692    14.373    57.382    28.758    44.465    16.594    19.754  5.3176  17.667  3.6282  2.086824       6.437391 
1 1 1 -17 7   30 o 55.796  2.2255  423.160   32.646    460.686   51.493    397.940   42.214    57.745  3.3435  53.846  2.9380  3.898937       4.450969 
1 1 1 -17 7   31 o 13.837  3.1294  24.214    12.554    36.831    22.110    18.210    15.252    15.907  4.7933  11.767  4.0244  4.140799       6.258707 
1 1 1 -17 7   32 o 15.133  2.7625  36.089    14.265    -8.8091   24.343    59.571    17.604    9.8002  4.4119  20.465  3.3257  -10.66508      5.524990 
1 1 1 -17 7   33 o 36.298  2.6452  195.138   23.555    164.536   39.042    212.653   29.537    33.484  4.4643  39.112  2.8388  -5.627407      5.290496 
1 1 1 -17 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 7   35 o 17.309  3.2843  39.253    15.155    71.191    27.382    25.148    18.197    21.423  4.8808  13.195  4.3960  8.228676       6.568632 
1 1 1 -17 7   36 o 8.2419  2.6673  -6.2537   11.802    -17.0310  24.085    -2.8485   13.538    8.8838  4.1401  7.6000  3.3640  1.283767       5.334526 
1 1 1 -17 7   37 o 14.102  3.3499  30.965    16.088    5.5761    30.153    41.069    19.022    11.878  5.1438  16.326  4.2931  -4.447482      6.699895 
1 1 1 -17 7   38 o 8.1275  2.6787  -9.9196   11.822    -7.9119   24.665    -10.5184  13.470    9.6102  4.3720  6.6448  3.0965  2.965426       5.357461 
1 1 1 -17 7   39 o 17.517  3.6941  44.550    17.121    75.570    33.276    33.381    19.967    20.616  5.7884  14.418  4.5911  6.197767       7.388113 
1 1 1 -17 8   1  o 75.629  1.9306  767.140   39.106    754.613   54.994    779.953   55.619    75.004  2.7375  76.253  2.7232  -1.249542      3.861268 
1 1 1 -17 8   2  o 112.216 2.4671  1690.62   74.120    1621.04   104.112   1762.12   105.547   109.872 3.5377  114.561 3.4397  -4.689674      4.934266 
1 1 1 -17 8   3  o 86.253  2.1657  998.834   50.010    1026.29   70.366    970.812   71.089    87.455  3.0039  85.052  3.1205  2.403152       4.331436 
1 1 1 -17 8   4  o 134.508 2.8880  2431.79   104.046   2408.10   147.056   2455.53   147.232   133.850 4.1018  135.166 4.0667  -1.315948      5.776062 
1 1 1 -17 8   5  o 72.337  1.9723  701.986   38.213    708.440   54.022    695.521   54.062    72.671  2.7754  72.004  2.8032  0.6668701      3.944655 
1 1 1 -17 8   6  o 191.706 3.8563  4954.71   197.960   5091.17   280.062   4818.46   279.852   194.361 5.3797  189.051 5.5266  5.310074       7.712623 
1 1 1 -17 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 8   8  o 106.041 2.4072  1509.86   68.362    1476.45   96.478    1543.54   96.878    104.861 3.4350  107.222 3.3733  -2.361153      4.814403 
1 1 1 -17 8   9  o 131.486 2.8032  2323.52   98.720    2335.68   139.346   2311.27   139.880   131.833 3.9462  131.138 3.9823  0.6950073      5.606372 
1 1 1 -17 8   10 o 52.110  1.8463  365.311   25.672    387.692   36.127    342.481   36.487    53.766  2.5086  50.455  2.7098  3.310566       3.692697 
1 1 1 -17 8   11 o 66.297  1.9344  589.581   34.345    576.621   48.273    602.867   48.876    65.559  2.7490  67.036  2.7221  -1.476570      3.868715 
1 1 1 -17 8   12 o 231.847 4.4598  7269.13   276.955   7267.50   391.300   7270.78   392.047   231.823 6.3018  231.871 6.3125  -0.4849243E-01 8.919673 
1 1 1 -17 8   13 o 69.481  2.0103  648.466   37.379    674.823   52.586    621.551   53.140    70.913  2.7686  68.049  2.9155  2.864021       4.020578 
1 1 1 -17 8   14 o 65.891  1.9407  582.621   34.248    575.152   48.077    590.315   48.798    65.463  2.7419  66.320  2.7471  -0.8570404     3.881307 
1 1 1 -17 8   15 o 70.263  1.9981  662.733   37.593    641.138   52.788    684.956   53.549    69.100  2.8522  71.425  2.7991  -2.325706      3.996195 
1 1 1 -17 8   16 o 74.112  2.0386  737.728   40.456    712.502   56.816    763.671   57.619    72.825  2.9128  75.399  2.8531  -2.574440      4.077286 
1 1 1 -17 8   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 8   18 o 43.305  1.8854  253.693   21.697    270.385   30.319    236.172   31.063    44.789  2.5377  41.820  2.7891  2.968815       3.770814 
1 1 1 -17 8   19 o 29.491  1.8551  117.682   14.488    113.583   19.986    122.221   21.033    28.949  2.6054  30.033  2.6414  -1.084488      3.710162 
1 1 1 -17 8   20 o 47.966  1.8516  310.655   23.684    315.467   33.095    305.604   33.909    48.356  2.5643  47.577  2.6718  0.7792244      3.703249 
1 1 1 -17 8   21 o 59.960  1.9539  484.952   31.352    501.898   44.017    467.500   44.668    61.033  2.6926  58.886  2.8320  2.147446       3.907712 
1 1 1 -17 8   22 o 74.817  2.1038  756.583   42.136    777.051   59.234    735.615   59.953    75.854  2.9154  73.779  3.0338  2.075607       4.207556 
1 1 1 -17 8   23 o 51.352  1.8947  356.850   25.957    341.056   36.323    373.333   37.107    50.181  2.7125  52.522  2.6462  -2.341141      3.789453 
1 1 1 -17 8   24 o 22.364  2.1046  69.142    12.059    54.236    16.712    85.337    17.419    19.734  3.2766  24.994  2.6421  -5.259380      4.209120 
1 1 1 -17 8   25 o 8.2572  2.2579  5.1533    7.5094    10.604    9.7726    -2.7052   11.734    9.2915  3.2193  7.2228  3.1669  2.068725       4.515881 
1 1 1 -17 8   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 8   27 o 52.296  1.9682  372.482   27.463    374.303   38.490    370.594   39.198    52.437  2.7501  52.155  2.8164  0.2818375      3.936334 
1 1 1 -17 8   28 o 53.556  1.9890  391.617   28.424    397.858   39.964    385.228   40.435    54.003  2.7722  53.108  2.8530  0.8951569      3.978061 
1 1 1 -17 8   29 o 53.585  2.0091  393.303   28.722    401.977   40.421    384.458   40.819    54.203  2.7937  52.967  2.8881  1.235851       4.018152 
1 1 1 -17 8   30 o 36.843  2.0330  187.742   19.811    205.219   27.851    169.842   28.185    38.653  2.7072  35.032  3.0337  3.620663       4.065984 
1 1 1 -17 8   31 o 14.141  2.7418  28.269    10.826    21.010    14.515    37.371    16.254    12.271  3.9151  16.011  3.8396  -3.739224      5.483698 
1 1 1 -17 8   32 o 21.196  2.4701  65.285    13.358    72.594    18.172    56.693    19.704    22.683  3.0699  19.709  3.8706  2.974501       4.940202 
1 1 1 -17 8   33 o 11.432  2.5612  17.005    10.265    30.264    13.540    -0.9158   15.741    14.358  3.5426  8.5063  3.7000  5.851272       5.122498 
1 1 1 -17 8   34 o 31.656  2.6451  140.557   21.221    163.214   35.904    128.391   26.309    33.333  4.1084  29.980  3.3327  3.352303       5.290168 
1 1 1 -17 8   35 o 19.915  3.4149  58.968    16.920    70.143    30.877    54.173    20.227    20.869  5.4607  18.960  4.1021  1.908749       6.829862 
1 1 1 -17 8   36 o 17.035  3.3192  49.806    16.455    22.693    30.366    61.078    19.579    13.777  5.4846  20.292  3.7401  -6.515182      6.638492 
1 1 1 -17 8   37 o 27.583  3.4305  127.902   21.697    97.436    39.022    141.537   26.105    23.793  6.0958  31.374  3.1489  -7.581827      6.861052 
1 1 1 -17 8   38 o 23.035  3.5087  87.509    19.787    83.443    35.277    89.375    23.901    21.750  5.9040  24.319  3.7930  -2.568842      7.017436 
1 1 1 -17 9   1  o 70.217  1.8775  661.350   35.309    661.755   49.691    660.938   50.181    70.239  2.6412  70.195  2.6690  0.4453278E-01  3.754952 
1 1 1 -17 9   2  o 85.527  2.1206  981.594   48.575    981.088   68.229    982.114   69.173    85.505  2.9791  85.548  3.0188  -0.4241943E-01 4.241258 
1 1 1 -17 9   3  o 246.700 4.7554  8233.36   314.226   8257.49   444.040   8209.16   444.727   247.067 6.7099  246.332 6.7404  0.7351990      9.510812 
1 1 1 -17 9   4  o 189.216 3.7881  4825.94   191.971   4762.03   271.464   4889.88   271.510   187.955 5.3923  190.477 5.3218  -2.522400      7.576116 
1 1 1 -17 9   5  o 247.585 4.7986  8294.64   318.220   8259.40   450.182   8329.83   449.880   247.053 6.8031  248.117 6.7694  -1.063782      9.597278 
1 1 1 -17 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 9   7  o 156.479 3.2176  3294.70   134.856   3266.47   190.708   3322.94   190.723   155.805 4.5698  157.153 4.5310  -1.347443      6.435279 
1 1 1 -17 9   8  o 107.832 2.4457  1561.51   70.639    1559.01   99.833    1564.01   99.964    107.746 3.4593  107.919 3.4582  -0.1726074     4.891424 
1 1 1 -17 9   9  o 59.399  1.8830  473.460   29.947    487.691   42.276    459.128   42.427    60.297  2.6177  58.502  2.7076  1.795658       3.766059 
1 1 1 -17 9   10 o 107.254 2.5079  1545.40   72.039    1567.66   101.711   1522.98   102.047   108.032 3.5150  106.476 3.5781  1.556282       5.015811 
1 1 1 -17 9   11 o 119.897 2.6070  1931.74   83.719    1911.22   118.078   1952.49   118.718   119.256 3.6966  120.539 3.6770  -1.282951      5.213955 
1 1 1 -17 9   12 f 132.372 2.8303  2356.72   100.348   2339.17   141.564   2374.44   142.264   131.876 4.0077  132.868 3.9975  -0.9919434     5.660544 
1 1 1 -17 9   13 o 48.441  1.8628  316.063   24.057    329.389   33.901    302.547   34.143    49.480  2.5668  47.403  2.7003  2.076878       3.725619 
1 1 1 -17 9   14 o 69.410  1.9995  647.246   37.153    665.515   52.244    628.553   52.846    70.405  2.7704  68.415  2.8838  1.990265       3.998976 
1 1 1 -17 9   15 o 87.261  2.2141  1023.50   51.748    1017.08   72.877    1030.02   73.493    86.986  3.1279  87.537  3.1345  -0.5510025     4.428155 
1 1 1 -17 9   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 9   17 o 101.746 2.4277  1394.53   66.157    1374.34   93.224    1415.02   93.901    101.002 3.4460  102.490 3.4206  -1.488335      4.855398 
1 1 1 -17 9   18 o 65.037  2.0026  569.028   34.868    543.739   48.925    595.130   49.705    63.565  2.8736  66.510  2.7901  -2.945213      4.005288 
1 1 1 -17 9   19 f 68.374  2.0231  629.911   37.034    644.013   52.041    615.442   52.715    69.156  2.8095  67.591  2.9117  1.565056       4.046159 
1 1 1 -17 9   20 o 90.949  2.3083  1117.61   56.228    1124.64   79.158    1110.45   79.882    91.244  3.2389  90.655  3.2898  0.5898361      4.616662 
1 1 1 -17 9   21 o 60.894  1.9366  500.440   31.572    511.156   44.322    489.401   44.984    61.564  2.6878  60.223  2.7887  1.340458       3.873180 
1 1 1 -17 9   22 o 37.093  1.8520  186.963   18.241    194.891   25.373    178.482   26.243    37.931  2.5116  36.255  2.7223  1.676014       3.703936 
1 1 1 -17 9   23 o 43.817  1.9096  261.380   22.215    282.243   31.089    239.612   31.756    45.646  2.5530  41.987  2.8404  3.658833       3.819132 
1 1 1 -17 9   24 o 87.980  2.3073  1052.49   54.370    1052.07   76.485    1052.92   77.304    87.970  3.2461  87.991  3.2800  -0.2182007E-01 4.614670 
1 1 1 -17 9   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 9   26 f 26.469  2.0649  95.892    14.356    90.252    19.430    102.671   21.303    25.616  2.8819  27.323  2.9581  -1.707096      4.129853 
1 1 1 -17 9   27 o 16.894  2.5019  41.115    10.932    46.652    14.915    34.686    16.071    18.230  3.1697  15.558  3.8719  2.672073       5.003854 
1 1 1 -17 9   28 o 42.096  1.9781  243.637   22.085    258.877   30.610    227.090   31.895    43.532  2.6377  40.661  2.9486  2.871284       3.956209 
1 1 1 -17 9   29 o 52.128  2.0121  373.136   27.977    374.388   39.093    371.821   40.056    52.236  2.8043  52.019  2.8862  0.2167168      4.024213 
1 1 1 -17 9   30 o 19.759  2.5607  56.497    12.962    68.007    18.319    44.956    18.343    21.964  3.2085  17.553  3.9918  4.411360       5.121361 
1 1 1 -17 9   31 o 29.812  2.1594  124.315   16.996    121.213   23.753    127.570   24.328    29.426  3.0584  30.199  3.0494  -0.7725410     4.318856 
1 1 1 -17 9   32 f 19.802  2.6524  57.942    13.443    38.987    18.711    78.168    19.328    16.134  4.2650  23.469  3.1546  -7.334808      5.304811 
1 1 1 -17 9   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 9   34 o 15.263  2.9369  35.255    12.343    37.405    17.384    33.070    17.527    15.733  4.0880  14.793  4.2177  0.9400482      5.873744 
1 1 1 -17 9   35 f 11.489  2.5334  11.342    11.245    -13.4588  15.601    38.162    16.223    7.0460  3.2995  15.933  3.8454  -8.886982      5.066893 
1 1 1 -17 9   36 o 19.269  2.8377  56.462    14.336    35.547    19.668    80.168    20.939    15.128  4.5123  23.411  3.4421  -8.282486      5.675310 
1 1 1 -17 9   37 o 17.810  3.6595  50.812    17.462    57.779    31.877    47.825    20.872    18.272  5.7991  17.349  4.4654  0.9229679      7.319077 
1 1 1 -17 10  1  o 82.713  2.0623  918.157   45.684    926.712   64.322    909.448   64.896    83.104  2.8897  82.323  2.9431  0.7806778      4.124603 
1 1 1 -17 10  2  o 159.616 3.2869  3429.93   140.491   3501.13   198.169   3357.98   199.202   161.292 4.5871  157.939 4.7089  3.352402       6.573775 
1 1 1 -17 10  3  o 159.997 3.3019  3445.70   141.500   3421.59   199.773   3469.97   200.451   159.434 4.6781  160.560 4.6610  -1.126099      6.603744 
1 1 1 -17 10  4  o 72.730  2.0340  709.812   39.622    718.295   56.019    701.320   56.050    73.166  2.8585  72.295  2.8945  0.8714294      4.068078 
1 1 1 -17 10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 10  6  o 130.741 2.8182  2297.72   98.688    2289.49   139.718   2305.90   139.415   130.506 3.9970  130.976 3.9740  -0.4697418     5.636358 
1 1 1 -17 10  7  o 19.702  2.0372  53.547    10.311    62.486    14.594    44.637    14.571    21.427  2.5958  17.976  3.1406  3.451666       4.074489 
1 1 1 -17 10  8  f 126.145 2.7400  2139.04   92.559    2089.17   130.884   2188.94   130.911   124.668 3.9196  127.621 3.8297  -2.952789      5.479949 
1 1 1 -17 10  9  o 134.292 2.8522  2425.08   102.587   2390.58   145.013   2459.63   145.146   133.332 4.0605  135.251 4.0066  -1.919128      5.704444 
1 1 1 -17 10  10 o 76.369  2.0472  782.832   41.873    792.754   59.165    772.874   59.271    76.855  2.8741  75.883  2.9161  0.9721375      4.094411 
1 1 1 -17 10  11 o 146.180 3.0826  2877.08   120.690   2911.17   170.523   2842.87   170.839   147.053 4.3293  145.307 4.3895  1.745728       6.165277 
1 1 1 -17 10  12 o 87.348  2.2349  1025.66   52.240    1073.44   73.727    977.484   74.032    89.400  3.0789  85.297  3.2404  4.102623       4.469890 
1 1 1 -17 10  13 o 71.376  2.0411  684.143   39.019    673.660   54.916    694.831   55.449    70.823  2.8949  71.928  2.8781  -1.105469      4.082156 
1 1 1 -17 10  14 o 98.508  2.3505  1305.05   62.014    1287.39   87.339    1323.01   88.069    97.835  3.3329  99.181  3.3152  -1.346169      4.700942 
1 1 1 -17 10  15 o 75.648  4.5137  775.988   91.040    0.0000    0.0000    775.988   91.040    ?       ?       75.648  4.5137  ?              ?        
1 1 1 -17 10  16 o 126.512 2.7800  2160.34   94.201    2133.09   132.825   2187.92   133.619   125.706 3.9449  127.318 3.9182  -1.612099      5.560080 
1 1 1 -17 10  17 o 39.264  1.8178  208.136   19.011    206.322   26.753    209.986   27.019    39.090  2.5695  39.437  2.5720  -0.3466339     3.635530 
1 1 1 -17 10  18 o 68.871  2.0525  638.931   37.861    634.248   53.249    643.719   53.844    68.617  2.8973  69.125  2.9081  -0.5088959     4.105055 
1 1 1 -17 10  19 o 83.291  2.1694  936.211   48.394    924.606   68.016    948.110   68.871    82.768  3.0680  83.813  3.0679  -1.045433      4.338732 
1 1 1 -17 10  20 o 15.059  2.3482  31.882    9.1937    31.996    12.500    31.746    13.569    15.103  3.1901  15.015  3.4467  0.8764839E-01  4.696445 
1 1 1 -17 10  21 o 49.103  1.8915  326.611   24.771    333.838   34.776    319.167   35.293    49.667  2.6234  48.540  2.7256  1.126919       3.783034 
1 1 1 -17 10  22 f 76.697  2.1533  797.223   44.232    799.192   62.224    795.211   62.887    76.799  3.0249  76.595  3.0653  0.2034683      4.306534 
1 1 1 -17 10  23 o 104.006 2.5408  1475.80   70.764    1506.32   99.760    1444.90   100.394   105.114 3.5433  102.897 3.6426  2.216705       5.081692 
1 1 1 -17 10  24 o 60.293  4.4833  504.794   71.886    0.0000    0.0000    504.794   71.886    ?       ?       60.293  4.4833  ?              ?        
1 1 1 -17 10  25 o 88.504  2.3174  1069.07   54.927    1079.25   77.322    1058.71   78.041    88.945  3.2456  88.063  3.3086  0.8819656      4.634725 
1 1 1 -17 10  26 o 31.882  1.9793  139.021   16.708    130.076   23.114    148.811   24.181    30.793  2.8342  32.971  2.7636  -2.177805      3.958556 
1 1 1 -17 10  27 o 24.870  2.1727  86.409    13.995    99.207    19.719    73.421    19.865    26.840  2.7834  22.899  3.3369  3.940992       4.345385 
1 1 1 -17 10  28 o 42.746  1.9815  251.012   22.542    253.805   31.363    248.028   32.422    43.017  2.7362  42.474  2.8667  0.5429306      3.962903 
1 1 1 -17 10  29 o 13.320  2.7386  24.616    10.569    17.101    14.252    33.797    15.754    11.396  3.8903  15.244  3.8556  -3.848101      5.477276 
1 1 1 -17 10  30 f 20.309  2.5240  59.323    13.219    60.583    18.447    57.993    18.954    20.571  3.4714  20.047  3.6649  0.5242710      5.048032 
1 1 1 -17 10  31 o 25.150  2.2654  89.797    14.871    92.165    20.504    87.170    21.600    25.567  3.0547  24.734  3.3463  0.8331146      4.530893 
1 1 1 -17 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 10  33 o 15.208  2.9670  34.976    12.487    36.308    17.680    33.650    17.639    15.492  4.1689  14.924  4.2228  0.5681400      5.933989 
1 1 1 -17 10  34 o 17.418  2.8989  46.190    13.480    57.777    19.140    34.787    18.987    19.742  3.7568  15.093  4.4159  4.649106       5.797777 
1 1 1 -17 10  35 o 24.518  2.5208  88.338    15.987    90.771    21.808    85.511    23.506    25.016  3.3380  24.020  3.7783  0.9956150      5.041648 
1 1 1 -17 10  36 o 34.046  2.2548  167.872   20.253    174.532   27.997    160.561   29.333    34.882  3.0265  33.210  3.3431  1.672371       4.509562 
1 1 1 -17 10  37 o 12.024  2.8710  17.921    12.071    3.3039    16.091    36.732    18.255    8.9048  3.8054  15.143  4.2998  -6.238184      5.741913 
1 1 1 -17 11  1  o 196.061 3.8587  5186.35   202.586   5304.45   285.983   5067.40   287.018   198.321 5.3837  193.801 5.5292  4.519257       7.717303 
1 1 1 -17 11  2  o 129.375 2.8233  2251.37   97.778    2328.47   137.863   2173.34   138.698   131.615 3.9107  127.135 4.0730  4.479645       5.646510 
1 1 1 -17 11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 11  4  o 60.106  1.9242  484.817   30.956    461.668   43.632    508.279   43.926    58.659  2.7770  61.553  2.6643  -2.894501      3.848420 
1 1 1 -17 11  5  o 148.052 3.1299  2949.74   124.102   2900.08   175.622   2999.27   175.393   146.801 4.4664  149.303 4.3858  -2.502258      6.259768 
1 1 1 -17 11  6  o 59.316  1.8851  472.003   29.950    475.332   42.517    468.725   42.196    59.524  2.6667  59.109  2.6652  0.4150543      3.770250 
1 1 1 -17 11  7  o 54.337  1.8712  396.671   27.158    419.526   38.637    374.352   38.181    55.923  2.5794  52.752  2.7114  3.170425       3.742339 
1 1 1 -17 11  8  o 21.861  1.9164  65.066    10.977    66.880    15.742    63.349    15.316    22.162  2.7083  21.560  2.7122  0.6021671      3.832878 
1 1 1 -17 11  9  o 101.185 2.3643  1376.02   64.030    1313.59   90.510    1438.57   90.594    98.880  3.4174  103.491 3.2682  -4.611038      4.728641 
1 1 1 -17 11  10 o 99.681  2.3610  1335.28   63.020    1298.66   89.092    1371.95   89.156    98.309  3.3834  101.053 3.2939  -2.744720      4.722003 
1 1 1 -17 11  11 o 79.337  2.1307  845.419   45.279    848.268   63.989    842.563   64.078    79.471  3.0061  79.203  3.0205  0.2687912      4.261482 
1 1 1 -17 11  12 o 157.045 3.2527  3328.00   136.822   3344.04   193.329   3311.91   193.663   157.428 4.5849  156.662 4.6152  0.7659607      6.505486 
1 1 1 -17 11  13 o 59.002  1.9381  467.635   30.626    458.815   43.188    476.557   43.436    58.441  2.7590  59.563  2.7226  -1.121620      3.876188 
1 1 1 -17 11  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 11  15 o 144.408 3.0615  2820.48   118.415   2818.20   167.094   2822.78   167.838   144.352 4.3216  144.464 4.3375  -0.1121216     6.122938 
1 1 1 -17 11  16 f 59.154  1.9338  471.007   30.624    483.208   43.055    458.514   43.568    59.935  2.6819  58.374  2.7865  1.561756       3.867501 
1 1 1 -17 11  17 o 48.602  1.8457  318.770   23.913    299.487   33.537    338.714   34.106    47.094  2.6697  50.110  2.5495  -3.015762      3.691479 
1 1 1 -17 11  18 o 82.588  2.1802  920.758   48.227    916.791   67.830    924.815   68.582    82.410  3.0729  82.766  3.0937  -0.3554153     4.360458 
1 1 1 -17 11  19 o 52.465  1.9257  373.011   26.896    406.129   37.827    339.145   38.251    54.889  2.5729  50.040  2.8658  4.849297       3.851313 
1 1 1 -17 11  20 o 73.345  2.1062  727.539   41.358    696.520   57.986    759.657   59.004    71.745  3.0175  74.946  2.9393  -3.200882      4.212472 
1 1 1 -17 11  21 o 31.528  1.9009  135.250   15.894    131.112   22.217    139.588   22.749    31.029  2.7001  32.028  2.6763  -0.9989471     3.801733 
1 1 1 -17 11  22 o 38.632  1.8958  202.783   19.486    194.556   27.268    211.370   27.857    37.821  2.7096  39.442  2.6522  -1.620522      3.791627 
1 1 1 -17 11  23 o 24.099  2.0793  79.962    13.142    80.929    18.569    78.992    18.603    24.252  2.9171  23.946  2.9637  0.3063774      4.158504 
1 1 1 -17 11  24 o 34.821  1.9606  165.689   18.111    167.823   25.080    163.364   26.180    35.077  2.6900  34.566  2.8532  0.5112190      3.921298 
1 1 1 -17 11  25 o 52.309  1.9824  373.082   27.663    359.304   38.729    387.434   39.526    51.313  2.8288  53.306  2.7779  -1.993793      3.964717 
1 1 1 -17 11  26 o 44.120  1.9641  265.892   23.053    245.385   31.975    288.090   33.266    42.324  2.8369  45.915  2.7171  -3.590633      3.928172 
1 1 1 -17 11  27 o 48.169  1.9790  318.333   25.414    322.714   35.657    313.810   36.232    48.525  2.7548  47.813  2.8419  0.7112160      3.957956 
1 1 1 -17 11  28 o 10.117  2.4617  8.7755    9.2218    -4.0770   12.465    24.316    13.707    7.2090  3.2076  13.025  3.7352  -5.815672      4.923441 
1 1 1 -17 11  29 o 23.094  2.3648  75.300    13.939    58.173    18.995    95.282    20.518    20.086  3.6656  26.101  2.9887  -6.014879      4.729600 
1 1 1 -17 11  30 o 49.055  2.0523  334.744   26.838    334.197   37.505    335.318   38.420    49.035  2.8681  49.075  2.9363  -0.3962326E-01 4.104621 
1 1 1 -17 11  31 o 24.513  3.4137  86.279    21.805    0.0000    0.0000    86.279    21.805    ?       ?       24.513  3.4137  ?              ?        
1 1 1 -17 11  32 o 9.4624  2.4700  6.1191    9.7909    20.749    13.315    -11.1020  14.447    11.979  3.7407  6.9452  3.2266  5.034289       4.939985 
1 1 1 -17 11  33 o 7.4927  2.3273  -6.7990   9.7885    -20.4290  14.019    6.1675    13.674    5.9978  2.8953  8.9876  3.6446  -2.989791      4.654700 
1 1 1 -17 11  34 o 27.586  2.4524  112.293   17.306    128.640   23.695    93.604    25.336    30.073  2.9809  25.099  3.8950  4.974133       4.904820 
1 1 1 -17 11  35 o 27.929  2.4205  113.987   17.671    103.769   24.625    124.835   25.373    26.537  3.5537  29.321  3.2874  -2.783831      4.841077 
1 1 1 -17 11  36 o 8.3660  2.5010  0.5808    10.386    10.567    13.876    -12.1430  15.663    9.6507  3.7476  7.0812  3.3128  2.569530       5.001899 
1 1 1 -17 12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 12  2  o 121.476 2.6580  1983.10   86.466    1929.55   121.708   2037.66   122.863   119.816 3.7924  123.135 3.7252  -3.318550      5.315973 
1 1 1 -17 12  3  o 95.528  2.3357  1225.49   59.762    1222.94   84.225    1228.07   84.812    95.429  3.2951  95.628  3.3112  -0.1990128     4.671375 
1 1 1 -17 12  4  o 123.597 2.7484  2053.70   90.987    2043.95   128.586   2063.48   128.765   123.303 3.8934  123.892 3.8803  -0.5890121     5.496865 
1 1 1 -17 12  5  o 65.488  1.9596  575.505   34.374    573.041   48.636    577.964   48.587    65.348  2.7787  65.629  2.7640  -0.2808304     3.919280 
1 1 1 -17 12  6  o 103.605 2.4069  1442.03   66.790    1431.75   94.622    1452.23   94.290    103.236 3.4220  103.975 3.3857  -0.7389526     4.813805 
1 1 1 -17 12  7  o 51.852  1.8876  361.713   26.124    369.531   37.096    354.021   36.795    52.411  2.6511  51.293  2.6876  1.117645       3.775115 
1 1 1 -17 12  8  o 128.949 2.8190  2237.15   97.365    2252.69   137.914   2221.71   137.476   129.396 3.9792  128.501 3.9942  0.8951416      5.638082 
1 1 1 -17 12  9  o 96.772  2.3533  1258.95   60.971    1217.61   86.321    1300.10   86.130    95.181  3.3859  98.364  3.2691  -3.183167      4.706565 
1 1 1 -17 12  10 o 89.906  2.2859  1086.40   55.045    1082.05   77.964    1090.72   77.727    89.725  3.2441  90.086  3.2213  -0.3611374     4.571723 
1 1 1 -17 12  11 o 128.756 2.8315  2234.48   97.602    2318.06   138.120   2151.12   137.941   131.176 3.9311  126.336 4.0764  4.839638       5.663101 
1 1 1 -17 12  12 o 22.631  1.9962  69.974    11.794    76.491    16.763    63.586    16.597    23.711  2.6869  21.551  2.9529  2.160532       3.992369 
1 1 1 -17 12  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 12  14 o 67.885  2.0073  619.926   36.495    607.092   51.453    632.919   51.772    67.176  2.8596  68.594  2.8178  -1.418549      4.014691 
1 1 1 -17 12  15 o 76.713  2.1072  792.564   43.293    777.007   60.971    808.383   61.483    75.951  2.9971  77.475  2.9628  -1.523346      4.214345 
1 1 1 -17 12  16 o 109.049 2.5249  1607.73   73.747    1605.98   103.959   1609.51   104.632   108.991 3.5611  109.105 3.5804  -0.1141052     5.049788 
1 1 1 -17 12  17 o 129.445 2.8772  2276.43   99.754    2254.90   140.611   2298.24   141.540   128.826 4.0750  130.063 4.0629  -1.237778      5.754378 
1 1 1 -17 12  18 f 40.350  1.9047  222.272   20.224    259.324   28.563    185.017   28.640    43.804  2.4442  36.896  2.9220  6.907845       3.809425 
1 1 1 -17 12  19 o 7.6767  2.1395  1.9297    7.0145    -5.7280   9.7240    10.238    10.128    6.0726  2.7559  9.2807  3.2734  -3.208136      4.279015 
1 1 1 -17 12  20 o 68.001  2.0661  626.213   37.629    621.998   52.848    630.547   53.591    67.772  2.9113  68.231  2.9324  -0.4586792     4.132145 
1 1 1 -17 12  21 o 42.934  1.8898  250.396   21.614    251.157   30.145    249.591   31.008    43.011  2.6293  42.857  2.7152  0.1539497      3.779658 
1 1 1 -17 12  22 o 23.081  2.0923  73.565    12.522    62.617    17.443    85.206    17.987    21.233  3.1637  24.930  2.7389  -3.696993      4.184579 
1 1 1 -17 12  23 o 61.461  2.8213  513.069   46.444    513.069   46.444    0.0000    0.0000    61.461  2.8213  ?       ?       ?              ?        
1 1 1 -17 12  24 o 14.887  2.5386  31.493    10.245    21.123    14.240    42.618    14.750    12.394  3.8681  17.380  3.2888  -4.986740      5.077227 
1 1 1 -17 12  25 o 32.127  2.0177  142.253   17.104    156.171   24.147    128.240   24.230    33.765  2.6924  30.490  3.0060  3.275492       4.035493 
1 1 1 -17 12  26 o 16.415  2.6332  38.798    11.285    38.723    15.353    38.886    16.644    16.425  3.5900  16.406  3.8533  0.1902962E-01  5.266497 
1 1 1 -17 12  27 o 37.666  2.0059  195.652   20.082    192.356   27.960    199.164   28.861    37.344  2.8160  37.987  2.8575  -0.6422844     4.011832 
1 1 1 -17 12  28 o 16.377  2.7070  38.886    11.731    31.034    16.061    47.868    17.176    14.567  3.9959  18.186  3.6531  -3.618338      5.414090 
1 1 1 -17 12  29 o 26.995  2.2573  102.984   15.993    103.854   22.266    102.057   22.986    27.145  3.1190  26.844  3.2640  0.3010864      4.514603 
1 1 1 -17 12  30 o 36.032  2.0995  182.171   19.973    159.947   27.821    205.808   28.692    33.665  3.1208  38.398  2.8092  -4.732128      4.198929 
1 1 1 -17 12  31 o 17.905  2.7725  49.578    13.108    64.598    17.903    32.223    19.244    21.181  3.2603  14.629  4.4854  6.551538       5.545080 
1 1 1 -17 12  32 o 15.269  2.9830  35.453    12.614    36.994    17.779    33.892    17.900    15.602  4.1732  14.937  4.2636  0.6652784      5.966077 
1 1 1 -17 12  33 o 25.306  2.4967  93.105    16.255    76.363    22.300    112.083   23.743    22.690  3.8040  27.922  3.2347  -5.231606      4.993335 
1 1 1 -17 12  34 o 13.532  3.0283  27.913    12.276    28.919    16.375    26.622    18.551    13.754  4.1207  13.309  4.4388  0.4450855      6.056651 
1 1 1 -17 12  35 o 14.914  3.1234  35.452    13.426    39.137    18.849    31.658    19.129    15.679  4.3405  14.149  4.4924  1.530188       6.246716 
1 1 1 -17 13  1  o 110.004 2.5064  1630.66   73.561    1789.89   103.786   1469.91   104.279   115.435 3.3567  104.573 3.7230  10.86165       5.012776 
1 1 1 -17 13  2  o 121.257 2.6559  1976.50   86.257    1969.68   121.490   1983.44   122.488   121.048 3.7471  121.467 3.7648  -0.4197464     5.311769 
1 1 1 -17 13  3  o 59.167  1.9007  469.717   30.120    463.344   42.414    476.201   42.781    58.762  2.6948  59.572  2.6811  -0.8102226     3.801339 
1 1 1 -17 13  4  f 86.650  2.2244  1008.33   51.624    1018.03   72.944    998.596   73.070    87.069  3.1278  86.231  3.1636  0.8376007      4.448759 
1 1 1 -17 13  5  o 26.747  1.8675  96.965    13.196    100.874   18.680    93.071    18.643    27.297  2.5857  26.197  2.6953  1.099977       3.735025 
1 1 1 -17 13  6  o 73.800  2.0801  731.402   41.111    718.900   58.289    743.778   57.993    73.170  2.9742  74.429  2.9090  -1.259514      4.160267 
1 1 1 -17 13  7  o 79.240  2.1420  843.403   45.440    878.132   64.532    809.251   63.994    80.862  2.9795  77.618  3.0781  3.243446       4.283968 
1 1 1 -17 13  8  o 107.763 2.5734  1562.36   74.274    1543.68   105.220   1580.92   104.861   107.117 3.6673  108.409 3.6113  -1.291786      5.146897 
1 1 1 -17 13  9  o 73.436  2.0898  724.792   41.093    704.984   58.214    744.464   58.015    72.432  3.0006  74.440  2.9097  -2.007980      4.179678 
1 1 1 -17 13  10 o 104.939 2.4736  1482.64   69.506    1442.35   98.368    1522.81   98.225    103.507 3.5481  106.370 3.4476  -2.863037      4.947193 
1 1 1 -17 13  11 o 130.305 2.8323  2290.99   98.844    2326.80   139.882   2255.27   139.692   131.329 3.9766  129.281 4.0341  2.048004       5.664593 
1 1 1 -17 13  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 13  13 o 61.812  1.9510  514.316   32.267    542.468   45.693    486.312   45.573    63.508  2.6862  60.117  2.8302  3.391033       3.902015 
1 1 1 -17 13  14 o 194.847 3.9431  5193.08   205.734   5051.03   290.656   5335.70   291.249   192.124 5.6482  197.570 5.5037  -5.445999      7.886229 
1 1 1 -17 13  15 o 104.575 2.4850  1479.02   69.598    1499.90   98.262    1458.00   98.591    105.325 3.4831  103.825 3.5452  1.499268       4.969983 
1 1 1 -17 13  16 o 40.895  1.8533  226.389   20.183    233.131   28.448    219.556   28.640    41.518  2.5708  40.271  2.6703  1.247314       3.706695 
1 1 1 -17 13  17 o 21.257  2.1024  62.373    11.573    54.908    16.271    70.017    16.464    19.907  3.1570  22.607  2.7774  -2.700542      4.204820 
1 1 1 -17 13  18 o 14.929  2.3375  31.607    9.1517    24.719    12.977    38.421    12.908    13.260  3.5731  16.597  3.0146  -3.336984      4.674932 
1 1 1 -17 13  19 o 17.674  2.2418  43.657    10.220    41.970    14.448    45.346    14.458    17.311  3.2349  18.038  3.1045  -0.7270298     4.483611 
1 1 1 -17 13  20 o 15.372  2.4284  33.672    9.7876    27.454    13.990    39.632    13.698    13.930  3.6906  16.815  3.1573  -2.884841      4.856873 
1 1 1 -17 13  21 o 63.560  2.0156  548.110   34.312    539.704   48.126    556.800   48.933    63.065  2.8490  64.055  2.8520  -0.9901581     4.031267 
1 1 1 -17 13  22 o 48.676  2.7095  322.484   35.185    322.484   35.185    0.0000    0.0000    48.676  2.7095  ?       ?       ?              ?        
1 1 1 -17 13  23 o 40.611  1.9407  225.251   20.984    225.388   29.469    225.110   29.888    40.630  2.7236  40.593  2.7653  0.3704453E-01  3.881417 
1 1 1 -17 13  24 o 27.561  2.0616  104.807   14.983    104.215   20.875    105.436   21.516    27.490  2.8777  27.631  2.9530  -0.1413479     4.123277 
1 1 1 -17 13  25 o 60.185  2.0593  495.850   33.180    474.371   46.327    518.476   47.546    58.835  2.9397  61.535  2.8847  -2.700279      4.118679 
1 1 1 -17 13  26 f 18.619  2.5700  49.850    12.354    51.800    17.374    47.857    17.569    19.025  3.5397  18.214  3.7269  0.8116245      5.140004 
1 1 1 -17 13  27 o 21.917  2.4437  68.295    13.815    60.101    19.035    77.416    20.082    20.448  3.6074  23.387  3.2974  -2.939547      4.887348 
1 1 1 -17 13  28 o 30.502  2.1468  130.514   17.176    112.495   23.896    149.773   24.704    28.220  3.2190  32.783  2.8415  -4.562838      4.293694 
1 1 1 -17 13  29 o 30.666  2.1935  132.902   17.737    134.416   24.483    131.229   25.730    30.904  2.9953  30.427  3.2053  0.4767456      4.387013 
1 1 1 -17 13  30 o 20.483  3.6440  61.480    19.260    61.480    19.260    0.0000    0.0000    20.483  3.6440  ?       ?       ?              ?        
1 1 1 -17 13  31 o 12.595  2.9199  22.408    11.715    30.342    16.631    14.595    16.505    14.195  4.1272  10.995  4.1316  3.199699       5.839851 
1 1 1 -17 13  32 o 13.884  2.9999  29.304    12.649    37.370    17.006    19.318    18.923    15.679  4.0280  12.090  4.4466  3.589084       5.999725 
1 1 1 -17 13  33 o 13.260  2.6338  24.791    11.844    46.301    16.234    0.3115    17.318    17.608  3.5644  8.9115  3.8786  8.696571       5.267683 
1 1 1 -17 13  34 f 8.3389  2.5402  0.7470    10.509    6.0789    14.085    -5.9480   15.783    8.9326  3.6696  7.7452  3.5134  1.187399       5.080394 
1 1 1 -17 14  1  o 121.216 2.6213  1975.71   85.103    1984.38   119.855   1966.90   120.859   121.487 3.6833  120.945 3.7308  0.5424652      5.242664 
1 1 1 -17 14  2  o 114.120 2.5560  1750.72   78.116    1704.70   109.954   1797.62   110.998   112.602 3.6457  115.638 3.5837  -3.036011      5.112082 
1 1 1 -17 14  3  o 71.389  2.0304  684.293   38.820    690.678   54.727    677.826   55.076    71.726  2.8486  71.053  2.8939  0.6732864      4.060733 
1 1 1 -17 14  4  o 80.589  2.1735  872.358   46.917    870.222   66.243    874.509   66.460    80.490  3.0726  80.688  3.0751  -0.1978226     4.347097 
1 1 1 -17 14  5  o 31.130  1.8456  131.005   15.241    126.943   21.535    135.083   21.574    30.638  2.6502  31.621  2.5694  -0.9827881     3.691297 
1 1 1 -17 14  6  o 71.482  2.0807  686.428   39.820    713.232   56.529    660.029   56.101    72.870  2.8962  70.093  2.9882  2.777153       4.161391 
1 1 1 -17 14  7  o 63.383  1.9794  539.604   33.602    548.968   47.665    530.354   47.377    63.930  2.7836  62.835  2.8150  1.095276       3.958859 
1 1 1 -17 14  8  o 43.769  1.8922  258.474   22.059    249.985   31.445    266.701   30.954    43.051  2.7412  44.487  2.6092  -1.435982      3.784454 
1 1 1 -17 14  9  o 68.492  2.0484  630.627   37.575    642.268   53.383    619.195   52.899    69.120  2.8834  67.864  2.9102  1.255280       4.096754 
1 1 1 -17 14  10 o 73.087  2.1013  718.661   41.133    713.130   58.420    724.097   57.924    72.806  2.9958  73.369  2.9475  -0.5630112     4.202697 
1 1 1 -17 14  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 14  12 o 50.813  1.8828  348.340   25.533    344.856   36.228    351.778   35.993    50.556  2.6849  51.069  2.6403  -0.5124168     3.765665 
1 1 1 -17 14  13 o 224.595 4.4816  6956.34   269.576   6852.69   381.061   7060.17   381.415   222.873 6.3833  226.316 6.2921  -3.442749      8.963104 
1 1 1 -17 14  14 o 27.449  1.9384  102.563   14.058    101.388   20.012    103.707   19.752    27.287  2.7767  27.612  2.7055  -0.3249054     3.876841 
1 1 1 -17 14  15 o 20.848  2.0692  59.916    11.214    56.945    16.043    62.754    15.680    20.310  3.0427  21.386  2.8051  -1.075293      4.138402 
1 1 1 -17 14  16 o 66.682  2.0251  600.972   36.169    603.702   51.074    598.226   51.228    66.836  2.8530  66.528  2.8748  0.3084641      4.050194 
1 1 1 -17 14  17 o 21.270  2.1005  62.759    11.522    72.048    16.289    53.458    16.299    22.934  2.7036  19.605  3.2153  3.328835       4.200915 
1 1 1 -17 14  18 o 43.643  1.8921  258.626   22.001    248.777   31.024    268.592   31.206    42.794  2.7207  44.492  2.6303  -1.697945      3.784251 
1 1 1 -17 14  19 f 19.135  2.2423  51.033    11.087    49.526    15.527    52.600    15.837    18.835  3.1916  19.434  3.1503  -0.5984879     4.484543 
1 1 1 -17 14  20 o 46.668  1.9291  296.262   23.989    281.037   33.679    311.941   34.178    45.433  2.7810  47.903  2.6744  -2.470116      3.858259 
1 1 1 -17 14  21 o 40.867  2.7066  227.667   29.459    227.667   29.459    0.0000    0.0000    40.867  2.7066  ?       ?       ?              ?        
1 1 1 -17 14  22 o 62.485  2.0513  532.896   34.272    563.223   48.179    501.830   48.762    64.326  2.7963  60.644  3.0019  3.681393       4.102534 
1 1 1 -17 14  23 o 11.975  2.6464  19.642    9.6081    14.349    13.821    24.593    13.367    10.806  3.8224  13.144  3.6610  -2.338217      5.292779 
1 1 1 -17 14  24 o 36.850  1.9725  186.729   19.320    187.015   27.081    186.433   27.572    36.888  2.7609  36.811  2.8178  0.7718658E-01  3.944914 
1 1 1 -17 14  25 o 29.520  2.1242  121.226   16.544    123.222   23.032    119.098   23.780    29.802  2.9230  29.238  3.0830  0.5640640      4.248346 
1 1 1 -17 14  26 o 39.057  2.0296  211.568   21.070    216.613   29.545    206.346   30.057    39.562  2.8064  38.552  2.9328  1.010628       4.059219 
1 1 1 -17 14  27 o 32.772  2.1109  150.606   18.280    158.515   25.542    142.302   26.172    33.722  2.8547  31.822  3.1103  1.899708       4.221776 
1 1 1 -17 14  28 o 12.341  2.7035  21.157    10.655    32.405    14.791    9.0245    15.361    14.794  3.7327  9.8872  3.9120  4.907171       5.407083 
1 1 1 -17 14  29 o 9.9434  3.8624  10.215    14.743    10.215    14.743    0.0000    0.0000    9.9434  3.8624  ?       ?       ?              ?        
1 1 1 -17 14  30 o 11.339  2.8740  17.003    11.071    17.223    15.148    16.751    16.220    11.323  4.0022  11.355  4.1258  -0.3224850E-01 5.747995 
1 1 1 -17 14  31 o 24.584  2.5385  88.773    16.117    92.247    21.956    84.714    23.733    25.258  3.3263  23.910  3.8355  1.348276       5.076967 
1 1 1 -17 14  32 o 10.583  2.8884  12.842    11.622    14.395    16.327    11.246    16.547    10.837  4.1011  10.328  4.0686  0.5084915      5.776856 
1 1 1 -17 14  33 o 20.261  2.8031  62.960    14.634    61.662    19.941    64.475    21.542    20.106  3.8429  20.417  4.0819  -0.3105621     5.606265 
1 1 1 -17 15  1  o 37.734  1.7902  192.492   17.900    214.027   25.350    171.076   25.280    39.868  2.3848  35.600  2.6706  4.268650       3.580469 
1 1 1 -17 15  2  o 53.022  1.8370  377.311   26.087    372.550   36.647    382.203   37.143    52.683  2.5971  53.361  2.5988  -0.6780815     3.674033 
1 1 1 -17 15  3  o 96.001  2.3364  1239.07   60.053    1193.93   84.592    1284.93   85.269    94.233  3.3515  97.769  3.2561  -3.535812      4.672770 
1 1 1 -17 15  4  o 33.202  1.8348  148.947   16.181    152.571   22.807    145.274   22.962    33.616  2.5521  32.788  2.6369  0.8276596      3.669640 
1 1 1 -17 15  5  o 109.874 2.5723  1625.49   75.683    1584.13   106.957   1666.97   107.107   108.467 3.6815  111.281 3.5934  -2.814194      5.144515 
1 1 1 -17 15  6  o 40.778  1.8994  224.370   20.628    222.365   29.288    226.344   29.059    40.594  2.7092  40.962  2.6631  -0.3683128     3.798879 
1 1 1 -17 15  7  o 41.548  1.8592  232.884   20.582    235.880   29.022    229.852   29.193    41.821  2.6037  41.275  2.6546  0.5458641      3.718398 
1 1 1 -17 15  8  f 61.367  1.9739  506.400   32.442    501.975   46.067    510.754   45.696    61.098  2.8149  61.635  2.7680  -0.5360718     3.947885 
1 1 1 -17 15  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 15  10 o 40.519  1.8708  221.786   20.170    235.365   28.734    208.595   28.319    41.755  2.5819  39.283  2.7080  2.472252       3.741604 
1 1 1 -17 15  11 o 26.151  1.9516  93.122    13.457    90.644    19.091    95.570    18.973    25.793  2.8087  26.508  2.7103  -0.7145805     3.903120 
1 1 1 -17 15  12 o 88.499  2.2863  1057.83   54.188    1079.27   76.776    1036.56   76.492    89.398  3.2063  87.599  3.2601  1.798889       4.572577 
1 1 1 -17 15  13 o 35.626  1.8692  172.039   17.701    178.182   25.076    165.937   24.991    36.271  2.5983  34.982  2.6878  1.288986       3.738371 
1 1 1 -17 15  14 o 60.726  1.9882  498.087   32.330    485.703   45.759    510.430   45.683    59.965  2.8490  61.486  2.7739  -1.521095      3.976314 
1 1 1 -17 15  15 o 90.453  2.3296  1109.97   56.441    1112.27   79.786    1107.67   79.853    90.549  3.2897  90.358  3.2994  0.1906433      4.659200 
1 1 1 -17 15  16 o 9.0439  2.4057  8.2252    7.9243    7.5144    11.179    8.9433    11.235    8.8816  3.3856  9.2062  3.4187  -0.3245630     4.811395 
1 1 1 -17 15  17 o 35.207  1.8976  169.044   17.684    151.448   24.924    186.881   25.094    33.319  2.8192  37.095  2.5408  -3.776081      3.795251 
1 1 1 -17 15  18 o 61.169  2.0230  507.625   33.145    505.168   46.817    510.094   46.931    61.020  2.8645  61.318  2.8574  -0.2986870     4.046009 
1 1 1 -17 15  19 o 36.146  2.7681  178.308   26.597    0.0000    0.0000    178.308   26.597    ?       ?       36.146  2.7681  ?              ?        
1 1 1 -17 15  20 o 44.129  2.2819  270.298   25.692    278.656   32.437    256.228   42.087    45.223  2.6900  43.034  3.6869  2.188915       4.563891 
1 1 1 -17 15  21 o 74.991  2.1960  768.890   44.107    769.956   62.172    767.809   62.584    75.049  3.0929  74.932  3.1182  0.1172485      4.391932 
1 1 1 -17 15  22 o 14.563  2.6972  30.465    10.655    32.318    15.166    28.658    14.971    14.988  3.7788  14.137  3.8498  0.8505325      5.394484 
1 1 1 -17 15  23 o 58.300  2.0778  466.949   32.381    472.865   45.537    460.897   46.055    58.730  2.8948  57.871  2.9813  0.8588104      4.155506 
1 1 1 -17 15  24 o 23.259  2.3366  76.358    14.140    78.358    19.913    74.324    20.082    23.595  3.2360  22.923  3.3714  0.6723137      4.673148 
1 1 1 -17 15  25 o 38.282  2.0424  203.250   20.731    184.651   28.880    223.024   29.778    36.421  2.9867  40.143  2.7867  -3.721710      4.084843 
1 1 1 -17 15  26 o 8.8675  2.4664  3.1386    9.6779    15.443    13.252    -10.9248  14.167    10.822  3.7489  6.9134  3.2061  3.908171       4.932844 
1 1 1 -17 15  27 o 16.606  2.7504  41.066    12.201    29.912    17.020    52.858    17.500    14.181  4.1901  19.032  3.5639  -4.850838      5.500725 
1 1 1 -17 15  28 o 11.986  4.0518  20.158    15.458    20.158    15.458    0.0000    0.0000    11.986  4.0518  ?       ?       ?              ?        
1 1 1 -17 15  29 o 8.9852  2.5892  4.0007    10.306    12.474    14.421    -4.8439   14.733    10.279  3.8621  7.6908  3.4498  2.588638       5.178490 
1 1 1 -17 15  30 o 29.954  2.3411  129.199   18.292    110.005   25.427    149.789   26.336    27.482  3.5363  32.427  3.0687  -4.945038      4.682131 
1 1 1 -17 15  31 o 8.9222  2.6585  3.7734    10.842    4.0246    15.163    3.5105    15.510    8.9200  3.7474  8.9243  3.7718  -0.4277229E-02 5.316913 
1 1 1 -17 15  32 o 18.528  2.8771  53.909    13.955    64.090    19.455    43.119    20.029    20.622  3.6561  16.434  4.4435  4.188128       5.754279 
1 1 1 -17 16  1  o 40.931  1.8050  225.889   19.669    213.253   27.708    238.724   27.925    39.765  2.6161  42.096  2.4877  -2.330441      3.610020 
1 1 1 -17 16  2  o 116.857 2.6118  1839.09   81.747    1841.58   115.107   1836.55   116.114   116.941 3.6749  116.774 3.7124  0.1666336      5.223665 
1 1 1 -17 16  3  o 90.348  2.2599  1097.99   54.676    1066.44   76.998    1130.08   77.652    89.034  3.2287  91.661  3.1629  -2.626610      4.519780 
1 1 1 -17 16  4  f 50.525  1.8819  343.905   25.370    332.292   35.664    355.801   36.096    49.656  2.6915  51.394  2.6309  -1.738316      3.763770 
1 1 1 -17 16  5  o 45.201  1.8977  275.592   22.870    271.457   32.396    279.699   32.289    44.859  2.7089  45.543  2.6585  -0.6842232     3.795498 
1 1 1 -17 16  6  o 59.314  1.9659  473.308   31.206    497.349   44.239    449.498   44.026    60.820  2.7157  57.809  2.8433  3.010757       3.931842 
1 1 1 -17 16  7  o 14.706  4.8157  28.230    21.872    0.0000    0.0000    28.230    21.872    ?       ?       14.706  4.8157  ?              ?        
1 1 1 -17 16  8  o 80.997  4.7951  894.597   103.565   894.597   103.565   0.0000    0.0000    80.997  4.7951  ?       ?       ?              ?        
1 1 1 -17 16  9  o 51.569  1.9273  359.074   26.523    355.470   37.659    362.622   37.363    51.308  2.7503  51.831  2.7006  -0.5224724     3.854526 
1 1 1 -17 16  10 f 21.999  2.0976  66.647    11.949    75.788    16.985    57.690    16.813    23.561  2.7427  20.437  3.1745  3.124298       4.195213 
1 1 1 -17 16  11 o 53.286  1.9550  383.960   27.803    378.444   39.442    389.409   39.199    52.899  2.7936  53.672  2.7358  -0.7734909     3.910084 
1 1 1 -17 16  12 o 103.739 2.5059  1459.88   69.619    1493.28   98.659    1426.76   98.254    104.933 3.5102  102.544 3.5773  2.388512       5.011838 
1 1 1 -17 16  13 o 57.029  1.9895  440.303   30.318    425.112   43.000    455.320   42.754    56.002  2.8763  58.055  2.7494  -2.053185      3.979025 
1 1 1 -17 16  14 f 41.034  1.9202  228.714   20.960    242.101   29.736    215.495   29.550    42.248  2.6410  39.820  2.7881  2.428082       3.840413 
1 1 1 -17 16  15 o 18.895  2.2849  50.337    11.048    41.946    15.835    58.296    15.421    17.241  3.5473  20.550  2.8809  -3.309315      4.569774 
1 1 1 -17 16  16 o 9.9850  2.2646  10.391    8.0572    23.397    11.352    -2.8126   11.438    12.867  3.2831  7.1029  3.1201  5.764207       4.529211 
1 1 1 -17 16  17 o 25.891  2.0402  92.153    13.848    82.626    19.385    102.082   19.789    24.477  3.0210  27.306  2.7429  -2.829144      4.080389 
1 1 1 -17 16  18 f 13.184  5.0938  16.964    25.535    0.0000    0.0000    16.964    25.535    ?       ?       13.184  5.0938  ?              ?        
1 1 1 -17 16  19 o 76.079  2.1949  790.279   44.725    794.998   63.098    785.513   63.403    76.315  3.0868  75.843  3.1211  0.4725952      4.389755 
1 1 1 -17 16  20 o 17.548  2.4686  43.782    11.194    45.709    15.839    41.859    15.823    17.960  3.4173  17.136  3.5635  0.8243847      4.937268 
1 1 1 -17 16  21 o 30.347  2.0385  126.935   16.348    118.532   22.805    135.819   23.448    29.287  2.9472  31.408  2.8172  -2.121359      4.077067 
1 1 1 -17 16  22 o 36.182  2.0243  180.592   19.456    181.721   27.394    179.442   27.637    36.306  2.8396  36.059  2.8857  0.2465363      4.048533 
1 1 1 -17 16  23 o 11.612  2.7496  17.171    10.590    26.109    14.929    8.1191    15.024    13.458  3.9095  9.7666  3.8674  3.691520       5.499173 
1 1 1 -17 16  24 o 52.875  2.0794  388.279   29.303    402.352   41.122    373.759   41.768    53.902  2.8584  51.847  3.0208  2.055309       4.158821 
1 1 1 -17 16  25 o 10.638  2.6188  13.092    9.9326    23.495    13.901    2.2420    14.197    12.723  3.7933  8.5533  3.6114  4.169657       5.237519 
1 1 1 -17 16  26 o 20.510  2.5894  61.616    13.665    69.128    19.432    54.266    19.220    21.878  3.4287  19.143  3.8813  2.734703       5.178843 
1 1 1 -17 16  27 o 5.8527  2.7928  -15.0522  12.207    -15.0522  12.207    0.0000    0.0000    5.8527  2.7928  ?       ?       ?              ?        
1 1 1 -17 16  28 o 9.5479  2.6886  8.2007    10.364    5.9515    14.797    10.366    14.520    9.1984  3.7680  9.8974  3.8363  -0.6989326     5.377231 
1 1 1 -17 16  29 o 12.136  2.9700  20.685    11.824    23.831    16.705    17.526    16.739    12.755  4.2101  11.517  4.1902  1.237706       5.939930 
1 1 1 -17 16  30 o 8.4340  2.5610  -0.0042   10.649    -6.8037   14.888    7.1208    15.240    7.4598  3.3948  9.4082  3.8354  -1.948405      5.122046 
1 1 1 -17 16  31 o 13.651  2.8806  27.248    12.313    12.200    16.900    44.274    17.976    10.443  4.1124  16.858  4.0348  -6.414413      5.761213 
1 1 1 -17 17  1  o 41.927  1.8229  237.060   20.372    234.197   28.697    239.969   28.924    41.670  2.5838  42.184  2.5722  -0.5135536     3.645868 
1 1 1 -17 17  2  o 17.362  2.3068  41.898    10.324    37.745    14.436    46.247    14.771    16.441  3.3908  18.284  3.1286  -1.842730      4.613617 
1 1 1 -17 17  3  o 29.657  1.9366  119.763   15.117    106.516   21.484    132.755   21.276    27.989  2.9082  31.325  2.5580  -3.336643      3.873111 
1 1 1 -17 17  4  o 66.377  2.0750  593.101   36.871    568.322   51.979    618.198   52.310    64.975  2.9867  67.779  2.8814  -2.803230      4.150028 
1 1 1 -17 17  5  o 8.8668  2.3168  5.5842    8.4393    -10.1375  13.509    15.648    10.808    6.9207  3.1811  10.813  3.3691  -3.892256      4.633584 
1 1 1 -17 17  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 17  7  o 39.636  1.8950  212.460   19.999    215.549   28.405    209.424   28.163    39.924  2.6716  39.348  2.6882  0.5761032      3.790017 
1 1 1 -17 17  8  o 33.528  1.9154  152.447   17.051    151.363   24.312    153.496   23.919    33.405  2.7414  33.651  2.6758  -0.2459679     3.830791 
1 1 1 -17 17  9  o 21.482  2.1023  63.459    11.771    64.356    16.666    62.566    16.627    21.640  2.9524  21.324  2.9936  0.3161144      4.204526 
1 1 1 -17 17  10 o 29.672  1.9407  119.817   15.248    119.567   21.646    120.063   21.484    29.639  2.7583  29.706  2.7307  -0.6644630E-01 3.881318 
1 1 1 -17 17  11 o 30.126  1.9619  123.920   15.578    110.824   21.981    137.134   22.080    28.483  2.9227  31.770  2.6181  -3.287275      3.923798 
1 1 1 -17 17  12 o 75.976  2.1745  782.357   44.249    778.108   62.736    786.563   62.421    75.766  3.0914  76.186  3.0589  -0.4200668     4.349003 
1 1 1 -17 17  13 o 41.790  1.9396  237.371   21.584    234.915   30.779    239.747   30.277    41.568  2.7804  42.012  2.7050  -0.4438133     3.879166 
1 1 1 -17 17  14 o 26.864  2.0386  98.963    14.430    98.435    20.725    99.460    20.104    26.782  2.9373  26.946  2.8276  -0.1641846     4.077166 
1 1 1 -17 17  15 o 41.856  1.9486  238.500   21.722    240.480   30.957    236.580   30.489    42.026  2.7656  41.687  2.7460  0.3387375      3.897263 
1 1 1 -17 17  16 o 28.252  2.0644  109.552   15.393    111.807   22.081    107.421   21.470    28.535  2.9307  27.969  2.9084  0.5658512      4.128858 
1 1 1 -17 17  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 17  18 o 55.819  2.0246  425.288   30.193    408.414   42.673    442.203   42.725    54.651  2.9258  56.987  2.7991  -2.335384      4.049129 
1 1 1 -17 17  19 o 53.659  2.0321  394.322   29.094    384.346   41.060    404.380   41.231    52.963  2.9055  54.356  2.8419  -1.392952      4.064278 
1 1 1 -17 17  20 o 19.565  2.5052  54.953    12.564    45.409    17.904    64.212    17.635    17.736  3.8770  21.394  3.1738  -3.657236      5.010420 
1 1 1 -17 17  21 o 9.3166  2.4431  6.6063    8.9965    17.858    12.746    -4.5654   12.700    11.411  3.6718  7.2224  3.2239  4.188468       4.886242 
1 1 1 -17 17  22 o 16.659  2.5778  40.589    11.723    19.162    16.252    63.827    16.925    12.027  4.1525  21.290  3.0556  -9.262887      5.155548 
1 1 1 -17 17  23 o 35.879  2.0863  179.943   19.786    196.777   27.908    162.930   28.057    37.656  2.7867  34.102  3.1056  3.554379       4.172636 
1 1 1 -17 17  24 o 15.329  2.9089  35.053    12.187    35.705    17.552    34.446    16.934    15.456  4.1515  15.201  4.0757  0.2553253      5.817735 
1 1 1 -17 17  25 o 17.788  2.7171  47.431    12.737    64.079    18.229    31.547    17.806    21.072  3.3411  14.503  4.2858  6.569613       5.434279 
1 1 1 -17 17  26 o 31.036  3.1102  136.915   25.507    136.915   25.507    0.0000    0.0000    31.036  3.1102  ?       ?       ?              ?        
1 1 1 -17 17  27 o 15.986  2.9642  38.862    13.137    28.311    18.349    49.960    18.818    13.760  4.4032  18.213  3.9695  -4.453674      5.928338 
1 1 1 -17 17  28 o 28.981  2.3337  121.185   17.791    120.217   25.055    122.170   25.268    28.863  3.3002  29.098  3.3004  -0.2354183     4.667335 
1 1 1 -17 17  29 f 6.5492  2.1717  -12.7092  9.7316    -18.6418  14.141    -7.3720   13.413    6.1355  2.9486  6.9628  3.1891  -0.8273520     4.343305 
1 1 1 -17 17  30 o 28.002  2.4690  116.336   18.113    117.831   25.539    114.822   25.692    28.215  3.4513  27.789  3.5316  0.4263401      4.937962 
1 1 1 -17 18  1  o 77.212  2.0904  802.636   43.230    792.992   60.797    812.498   61.482    76.743  2.9577  77.681  2.9549  -0.9385300     4.180844 
1 1 1 -17 18  2  o 27.073  2.0117  100.115   14.219    116.319   20.286    84.466    19.936    29.291  2.6131  24.855  3.0592  4.436886       4.023336 
1 1 1 -17 18  3  o 18.150  4.7902  46.418    23.627    0.0000    0.0000    46.418    23.627    ?       ?       18.150  4.7902  ?              ?        
1 1 1 -17 18  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 18  5  o 21.906  2.0786  66.086    11.805    58.089    16.689    74.095    16.702    20.516  3.1366  23.296  2.7284  -2.779890      4.157176 
1 1 1 -17 18  6  o 22.131  2.0793  67.203    12.019    68.294    17.152    66.151    16.846    22.309  2.9422  21.952  2.9389  0.3575897      4.158566 
1 1 1 -17 18  7  o 104.311 2.5575  1475.45   71.453    1492.91   101.204   1458.11   100.897   104.931 3.6008  103.690 3.6329  1.241440       5.115069 
1 1 1 -17 18  8  o 16.608  2.3577  38.672    10.123    36.270    14.232    41.132    14.401    16.061  3.4135  17.154  3.2533  -1.093081      4.715497 
1 1 1 -17 18  9  o 28.422  1.9661  110.177   14.768    114.357   20.969    106.063   20.802    28.970  2.7347  27.873  2.8254  1.096519       3.932124 
1 1 1 -17 18  10 o 53.916  1.9806  393.991   28.526    378.600   40.430    409.249   40.255    52.816  2.8687  55.017  2.7317  -2.201164      3.961264 
1 1 1 -17 18  11 o 27.908  2.0239  106.659   14.852    118.041   21.200    95.691    20.812    29.414  2.7217  26.402  2.9961  3.012594       4.047745 
1 1 1 -17 18  12 o 30.182  2.0260  125.344   16.037    108.901   22.845    141.322   22.519    28.153  3.0797  32.211  2.6332  -4.057661      4.051933 
1 1 1 -17 18  13 o 24.371  2.1328  82.400    13.419    97.537    19.089    67.612    18.868    26.696  2.7071  22.045  3.2966  4.650871       4.265631 
1 1 1 -17 18  14 o 19.978  2.3452  55.854    12.106    57.420    17.105    54.283    17.137    20.279  3.2595  19.678  3.3727  0.6011562      4.690389 
1 1 1 -17 18  15 o 62.926  2.0876  539.227   35.172    525.288   49.954    552.931   49.529    62.102  3.0032  63.751  2.9006  -1.648949      4.175222 
1 1 1 -17 18  16 o 82.789  5.1132  970.523   112.830   970.523   112.830   0.0000    0.0000    82.789  5.1132  ?       ?       ?              ?        
1 1 1 -17 18  17 o 77.428  2.2580  821.691   46.818    841.485   66.295    801.997   66.128    78.378  3.1579  76.478  3.2282  1.899475       4.515909 
1 1 1 -17 18  18 f 27.955  2.1024  108.169   15.493    104.898   21.910    111.441   21.912    27.513  3.0230  28.397  2.9226  -0.8845043     4.204766 
1 1 1 -17 18  19 o 57.690  2.0894  458.066   32.176    465.117   45.627    451.091   45.381    58.141  2.9394  57.239  2.9702  0.9013824      4.178811 
1 1 1 -17 18  20 o 26.056  2.2125  95.046    15.129    93.748    21.476    96.324    21.317    25.864  3.1662  26.248  3.0914  -0.3841705     4.425077 
1 1 1 -17 18  21 o 11.025  2.5167  13.762    9.7192    28.726    13.873    -0.6612   13.620    14.043  3.6534  8.0070  3.4623  6.036297       5.033383 
1 1 1 -17 18  22 o 8.8033  2.3957  2.0456    9.2543    -12.6609  12.964    17.327    13.215    6.3587  2.9872  11.248  3.7462  -4.889151      4.791369 
1 1 1 -17 18  23 o 30.317  2.2243  130.270   17.697    145.161   25.163    115.696   24.894    32.143  2.9558  28.491  3.3246  3.651968       4.448574 
1 1 1 -17 18  24 o 30.752  2.2330  134.544   18.096    126.920   25.690    142.052   25.494    29.815  3.2706  31.688  3.0411  -1.872507      4.465946 
1 1 1 -17 18  25 o 10.812  2.8722  12.340    11.392    5.7756    14.891    21.604    17.690    9.1962  3.7749  12.428  4.3300  -3.231648      5.744440 
1 1 1 -17 18  26 o 14.390  2.9853  31.476    12.323    27.731    17.639    35.046    17.223    13.611  4.3132  15.169  4.1285  -1.558101      5.970586 
1 1 1 -17 18  27 o 26.457  2.4596  102.080   16.980    95.343    23.699    109.186   24.340    25.494  3.5684  27.420  3.3859  -1.926142      4.919176 
1 1 1 -17 18  28 o 8.1405  2.5022  -0.5425   10.286    -5.0523   14.649    3.8439    14.447    7.5759  3.4155  8.7050  3.6576  -1.129122      5.004303 
1 1 1 -17 18  29 o 23.475  2.6919  83.814    16.296    92.483    23.291    75.502    22.808    24.822  3.6089  22.128  3.9951  2.693802       5.383709 
1 1 1 -17 19  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 19  2  o 45.787  2.1967  277.600   25.907    259.500   32.300    310.245   43.377    43.793  2.7679  47.781  3.4118  -3.987804      4.393318 
1 1 1 -17 19  3  o 36.187  1.8957  177.508   18.199    162.421   25.512    193.137   25.967    34.597  2.7765  37.777  2.5818  -3.179569      3.791359 
1 1 1 -17 19  4  o 6.9086  1.9432  -2.9138   6.5528    10.047    9.1812    -16.3711  9.3553    9.0533  3.1213  4.7640  2.3154  4.289371       3.886390 
1 1 1 -17 19  5  f 44.448  1.9170  267.567   22.712    268.006   31.992    267.121   32.250    44.487  2.6976  44.408  2.7244  0.7868576E-01  3.833989 
1 1 1 -17 19  6  o 34.741  1.9371  163.994   17.879    164.669   25.283    163.318   25.286    34.814  2.7333  34.668  2.7455  0.1460838      3.874133 
1 1 1 -17 19  7  o 13.444  2.5618  25.394    9.4547    27.883    13.451    22.963    13.293    14.052  3.5673  12.835  3.6776  1.217018       5.123546 
1 1 1 -17 19  8  o 54.098  1.9982  397.138   28.854    399.541   40.926    394.764   40.686    54.261  2.8257  53.935  2.8262  0.3261757      3.996487 
1 1 1 -17 19  9  o 71.726  2.1541  698.193   41.381    711.475   58.675    685.051   58.368    72.411  3.0252  71.041  3.0675  1.370384       4.308288 
1 1 1 -17 19  10 o 20.893  2.2513  60.871    12.113    69.506    17.216    52.407    17.045    22.450  2.9333  19.336  3.4161  3.113926       4.502628 
1 1 1 -17 19  11 o 13.179  2.4637  24.384    9.4740    36.565    13.236    11.587    13.566    16.120  3.1785  10.238  3.7650  5.882141       4.927305 
1 1 1 -17 19  12 f 31.112  2.0185  132.542   16.591    144.244   23.718    121.329   23.217    32.492  2.7511  29.732  2.9545  2.759411       4.037055 
1 1 1 -17 19  13 o 13.224  2.7420  24.547    10.341    24.517    14.753    24.576    14.499    13.223  3.8994  13.225  3.8560  -0.1319885E-02 5.483948 
1 1 1 -17 19  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 19  15 o 13.597  2.6892  25.666    10.476    17.068    14.385    35.377    15.288    11.482  3.9084  15.712  3.6947  -4.229856      5.378353 
1 1 1 -17 19  16 o 60.826  2.0945  506.290   34.121    498.446   48.233    514.148   48.276    60.345  2.9841  61.307  2.9399  -0.9625854     4.189035 
1 1 1 -17 19  17 o 25.393  2.2605  90.066    15.030    87.808    21.211    92.344    21.300    25.056  3.2363  25.730  3.1569  -0.6739731     4.520967 
1 1 1 -17 19  18 o 61.776  2.1391  526.334   35.320    543.792   50.031    508.988   49.869    62.863  2.9714  60.689  3.0780  2.174576       4.278171 
1 1 1 -17 19  19 o 49.196  2.0839  335.047   27.332    329.663   38.459    340.542   38.851    48.790  2.9569  49.602  2.9374  -0.8117332     4.167896 
1 1 1 -17 19  20 o 27.568  2.3288  108.585   16.289    79.900    22.757    138.723   23.326    23.544  3.7332  31.592  2.7852  -8.047850      4.657665 
1 1 1 -17 19  21 o 25.741  2.3697  95.375    15.628    76.638    22.131    114.014   22.073    22.980  3.7227  28.501  2.9333  -5.520390      4.739492 
1 1 1 -17 19  22 o 8.6265  2.4495  2.1072    9.4649    -9.3198   13.269    13.944    13.505    6.7730  3.1274  10.480  3.7709  -3.707109      4.899000 
1 1 1 -17 19  23 o 41.823  3.0207  246.867   33.611    0.0000    0.0000    246.867   33.611    ?       ?       41.823  3.0207  ?              ?        
1 1 1 -17 19  24 o 18.765  2.7459  55.176    13.732    82.667    19.234    26.594    19.612    24.050  3.0548  13.479  4.5638  10.57046       5.491833 
1 1 1 -17 19  25 o 12.176  2.9267  20.970    11.630    26.270    16.041    15.096    16.887    13.255  4.1003  11.097  4.1773  2.158010       5.853403 
1 1 1 -17 19  26 o 19.432  2.9319  57.950    14.792    54.510    21.230    61.197    20.623    18.761  4.3147  20.104  3.9708  -1.342495      5.863782 
1 1 1 -17 19  27 o 11.772  2.8385  18.603    11.776    4.6443    17.194    30.936    16.161    9.4012  3.9721  14.143  4.0559  -4.741482      5.677007 
1 1 1 -17 19  28 o 14.836  3.0815  35.472    13.249    41.513    18.291    28.803    19.217    16.150  4.1918  13.521  4.5179  2.628247       6.163041 
1 1 1 -17 20  1  o 60.080  1.9675  487.459   31.646    502.818   44.622    471.916   44.888    61.041  2.7292  59.118  2.8348  1.923130       3.935033 
1 1 1 -17 20  2  o 17.970  2.3314  45.454    10.756    52.075    15.037    38.519    15.390    19.406  2.9889  16.534  3.5790  2.871504       4.662882 
1 1 1 -17 20  3  o 29.497  1.9442  118.900   15.103    131.436   21.331    106.298   21.388    31.103  2.5839  27.891  2.9057  3.212400       3.888367 
1 1 1 -17 20  4  o 48.834  1.9509  323.765   25.330    292.611   35.609    355.677   36.039    46.419  2.8782  51.249  2.6343  -4.829876      3.901761 
1 1 1 -17 20  5  o 39.484  1.9272  211.901   20.246    217.847   28.510    205.852   28.757    40.056  2.6727  38.911  2.7774  1.144627       3.854487 
1 1 1 -17 20  6  f 69.733  2.1232  659.589   39.655    663.449   55.920    655.685   56.243    69.944  2.9849  69.523  3.0203  0.4207993      4.246416 
1 1 1 -17 20  7  o 8.1596  2.3200  3.8371    7.8689    7.2970    11.174    0.4339    11.083    8.8250  3.3800  7.4941  3.1790  1.330976       4.640033 
1 1 1 -17 20  8  o 48.270  1.9997  317.240   25.709    298.620   36.230    336.125   36.486    46.817  2.9036  49.722  2.7503  -2.905602      3.999340 
1 1 1 -17 20  9  o 15.724  2.5652  35.207    10.591    33.108    15.112    37.232    14.846    15.247  3.7310  16.202  3.5216  -0.9555826     5.130464 
1 1 1 -17 20  10 o 51.500  2.0414  361.603   28.046    362.597   39.718    360.613   39.608    51.571  2.8869  51.429  2.8870  0.1418571      4.082776 
1 1 1 -17 20  11 o 34.216  2.0254  160.568   18.347    148.996   26.004    172.038   25.889    32.948  2.9788  35.484  2.7453  -2.536049      4.050891 
1 1 1 -17 20  12 o 18.110  2.7835  47.394    12.971    43.908    20.118    49.873    16.968    17.440  4.3274  18.779  3.5022  -1.339102      5.567039 
1 1 1 -17 20  13 o 57.628  4.8654  471.026   74.398    471.026   74.398    0.0000    0.0000    57.628  4.8654  ?       ?       ?              ?        
1 1 1 -17 20  14 o 75.803  2.2545  788.656   45.772    801.213   64.999    776.302   64.468    76.409  3.1760  75.197  3.2008  1.211426       4.509072 
1 1 1 -17 20  15 o 42.240  2.0761  245.645   23.340    241.557   33.008    249.733   33.007    41.877  2.9619  42.603  2.9099  -0.7264519     4.152148 
1 1 1 -17 20  16 o 6.9509  2.2044  -7.1213   8.6980    -13.6955  11.836    0.5968    12.825    5.9067  2.7988  7.9950  3.4064  -2.088264      4.408769 
1 1 1 -17 20  17 o 52.352  2.1024  379.042   29.351    392.091   41.819    366.373   41.205    53.259  2.9429  51.445  3.0034  1.814587       4.204885 
1 1 1 -17 20  18 o 46.684  2.0869  302.598   25.960    300.702   36.751    304.487   36.676    46.531  2.9642  46.838  2.9383  -0.3074036     4.173751 
1 1 1 -17 20  19 o 12.799  2.7915  22.767    10.975    32.740    15.810    13.489    15.248    14.886  3.9134  10.712  3.9817  4.174244       5.582934 
1 1 1 -17 20  20 o 37.266  2.1372  195.131   21.130    205.893   30.176    184.778   29.598    38.313  2.9636  36.219  3.0802  2.093884       4.274404 
1 1 1 -17 20  21 o 15.727  2.8918  37.312    12.303    35.617    17.341    39.031    17.457    15.361  4.1268  16.094  4.0523  -0.7334175     5.783681 
1 1 1 -17 20  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 20  23 o 7.4455  2.3184  -6.8856   9.7014    -19.6939  13.714    5.9457    13.726    5.9488  2.8697  8.9423  3.6421  -2.993506      4.636807 
1 1 1 -17 20  24 o 16.010  3.0081  39.420    13.115    41.905    19.029    37.172    18.101    16.478  4.2748  15.542  4.2334  0.9363699      6.016282 
1 1 1 -17 20  25 o 15.213  2.6318  33.296    13.232    0.1070    18.738    66.307    18.688    9.1945  4.0173  21.232  3.4009  -12.03717      5.263560 
1 1 1 -17 20  26 o 15.968  3.0220  40.358    13.413    49.285    18.941    31.378    18.998    17.807  4.0614  14.130  4.4760  3.676287       6.043932 
1 1 1 -17 20  27 o 15.052  2.9203  33.861    13.687    11.906    18.575    59.946    20.246    10.540  4.2571  19.563  3.9988  -9.023283      5.840623 
1 1 1 -17 21  1  o 19.537  2.2862  53.178    11.538    51.360    16.423    54.949    16.213    19.181  3.3165  19.892  3.1477  -0.7104321     4.572399 
1 1 1 -17 21  2  o 50.106  1.9474  340.933   26.022    351.757   36.684    329.970   36.918    50.923  2.6992  49.290  2.8080  1.632782       3.894893 
1 1 1 -17 21  3  o 77.782  2.1888  821.546   45.598    811.699   64.096    831.636   64.881    77.310  3.0953  78.254  3.0954  -0.9436264     4.377530 
1 1 1 -17 21  4  o 86.025  2.3045  1007.25   53.094    986.276   74.708    1028.65   75.469    85.112  3.2771  86.937  3.2410  -1.824677      4.609021 
1 1 1 -17 21  5  o 78.653  2.2328  841.914   47.029    818.876   66.217    865.364   66.806    77.556  3.1876  79.751  3.1275  -2.195343      4.465645 
1 1 1 -17 21  6  o 99.987  2.5349  1368.32   67.883    1347.90   95.740    1388.97   96.265    99.226  3.6023  100.747 3.5673  -1.521545      5.069752 
1 1 1 -17 21  7  o 22.917  2.2993  73.652    13.461    58.302    18.939    89.325    19.137    20.346  3.6074  25.489  2.8520  -5.143328      4.598579 
1 1 1 -17 21  8  o 37.234  2.0055  189.599   19.797    173.169   27.771    206.575   28.229    35.555  2.9426  38.912  2.7256  -3.357334      4.010955 
1 1 1 -17 21  9  o 29.101  2.1731  117.668   16.346    92.971    22.930    143.188   23.309    25.848  3.3940  32.353  2.7149  -6.505209      4.346262 
1 1 1 -17 21  10 o 16.497  2.6265  39.047    11.356    44.380    15.985    33.613    16.136    17.686  3.4983  15.308  3.9188  2.378079       5.253053 
1 1 1 -17 21  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 21  12 o 84.217  2.3593  976.290   53.183    1020.94   75.429    932.151   74.996    86.178  3.2677  82.256  3.4040  3.922798       4.718595 
1 1 1 -17 21  13 o 95.223  2.5110  1256.04   64.030    1288.41   90.765    1223.96   90.341    96.478  3.5123  93.967  3.5894  2.511841       5.021985 
1 1 1 -17 21  14 o 30.365  2.2080  128.321   17.698    127.602   25.234    129.017   24.829    30.267  3.1592  30.463  3.0856  -0.1953468     4.416061 
1 1 1 -17 21  15 o 61.337  2.1932  520.641   35.968    515.770   50.899    525.500   50.835    61.000  3.1257  61.674  3.0773  -0.6744537     4.386335 
1 1 1 -17 21  16 f 35.298  2.2360  175.059   20.706    201.288   29.350    149.071   29.214    38.079  2.8994  32.517  3.4047  5.561932       4.472013 
1 1 1 -17 21  17 o 38.013  2.1622  202.543   21.772    189.857   31.085    214.760   30.505    36.765  3.1881  39.260  2.9218  -2.494648      4.324476 
1 1 1 -17 21  18 o 9.9772  2.3889  2.7942    10.116    28.880    14.649    -20.9851  13.987    13.983  3.8084  5.9718  2.8851  8.010872       4.777806 
1 1 1 -17 21  19 o 35.091  2.2037  174.239   20.476    183.664   29.130    165.034   28.788    36.078  3.0428  34.103  3.1886  1.974903       4.407488 
1 1 1 -17 21  20 o 17.759  2.8777  47.812    13.459    40.013    19.054    55.580    19.015    16.178  4.3170  19.340  3.8062  -3.162180      5.755300 
1 1 1 -17 21  21 o 17.391  4.3181  46.484    20.022    46.484    20.022    0.0000    0.0000    17.391  4.3181  ?       ?       ?              ?        
1 1 1 -17 21  22 o 35.190  2.2420  177.117   20.905    175.761   29.583    178.469   29.547    35.044  3.1865  35.336  3.1549  -0.2926826     4.484099 
1 1 1 -17 21  23 o 7.5194  2.4060  -6.0532   10.435    -3.0346   14.209    -9.5875   15.375    7.7228  3.4310  7.3160  3.3741  0.4068213      4.812096 
1 1 1 -17 21  24 o 8.4487  2.5597  -0.2540   10.750    8.5232    15.220    -8.9921   15.186    9.6035  3.8624  7.2940  3.3601  2.309517       5.119384 
1 1 1 -17 21  25 o 9.5693  2.7633  7.8649    11.236    5.5830    15.735    10.239    16.050    9.1786  3.8342  9.9599  3.9802  -0.7813740     5.526515 
1 1 1 -17 22  1  o 54.074  1.9503  397.509   28.153    395.811   39.631    399.240   40.001    53.959  2.7512  54.189  2.7652  -0.2297440     3.900684 
1 1 1 -17 22  2  o 39.139  1.9476  208.926   20.267    219.236   28.676    198.637   28.647    40.126  2.6836  38.152  2.8234  1.974281       3.895298 
1 1 1 -17 22  3  o 62.549  2.0565  531.779   34.441    511.699   48.364    552.438   49.058    61.340  2.9437  63.759  2.8726  -2.418247      4.113057 
1 1 1 -17 22  4  o 55.969  2.0226  426.552   30.256    435.391   42.603    417.558   42.977    56.606  2.8099  55.333  2.9100  1.272724       4.045209 
1 1 1 -17 22  5  o 49.309  2.0273  331.842   26.658    334.297   37.546    329.347   37.856    49.501  2.8437  49.118  2.8902  0.3838921      4.054636 
1 1 1 -17 22  6  o 13.775  2.6803  26.918    10.346    32.754    14.581    20.999    14.684    15.145  3.6395  12.404  3.9357  2.741151       5.360578 
1 1 1 -17 22  7  f 23.570  2.2553  77.471    13.764    67.083    19.326    88.163    19.607    21.875  3.4095  25.265  2.9531  -3.389927      4.510590 
1 1 1 -17 22  8  o 34.924  2.0854  167.617   19.322    171.098   27.383    164.166   27.268    35.295  2.9228  34.553  2.9754  0.7425461      4.170794 
1 1 1 -17 22  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 22  10 o 30.060  2.1589  125.170   17.113    117.584   24.168    132.797   24.234    29.106  3.1502  31.014  2.9530  -1.907614      4.317878 
1 1 1 -17 22  11 o 79.268  2.3430  867.276   49.744    861.396   70.435    873.128   70.264    78.989  3.3292  79.547  3.2978  -0.5584946     4.685991 
1 1 1 -17 22  12 o 34.979  2.1437  169.982   19.797    152.914   27.969    187.118   28.025    33.141  3.1902  36.818  2.8644  -3.676926      4.287454 
1 1 1 -17 22  13 o 25.836  2.3240  93.931    15.717    93.281    22.117    94.593    22.340    25.746  3.2819  25.925  3.2912  -0.1796913     4.647921 
1 1 1 -17 22  14 o 14.489  2.7695  29.924    11.777    15.077    16.408    45.702    16.915    11.238  4.1394  17.740  3.6805  -6.502042      5.538999 
1 1 1 -17 22  15 o 15.212  2.6787  32.523    12.320    58.132    17.873    9.3364    17.007    20.108  3.4422  10.315  4.1052  9.792926       5.357358 
1 1 1 -17 22  16 f 30.687  2.2791  133.380   18.439    130.120   26.324    136.519   25.836    30.277  3.2995  31.098  3.1450  -0.8210754     4.558275 
1 1 1 -17 22  17 o 10.141  2.5298  5.6065    10.847    -17.6416  15.619    27.267    15.076    6.7177  3.1924  13.564  3.9253  -6.846274      5.059613 
1 1 1 -17 22  18 o 56.623  2.2386  454.101   33.813    451.089   47.931    457.085   47.708    56.417  3.1849  56.829  3.1465  -0.4119911     4.477104 
1 1 1 -17 22  19 o 23.271  6.4313  93.297    41.422    0.0000    0.0000    93.297    41.422    ?       ?       23.271  6.4313  ?              ?        
1 1 1 -17 22  20 o 33.542  2.3238  161.807   20.596    167.374   29.104    156.223   29.150    34.171  3.2178  32.913  3.3535  1.257957       4.647590 
1 1 1 -17 22  21 o 30.748  2.4204  137.226   19.593    134.855   27.554    139.652   27.867    30.467  3.4365  31.028  3.4093  -0.5608234     4.840716 
1 1 1 -17 22  22 o 33.183  2.3790  160.092   20.799    172.838   29.649    147.740   29.186    34.588  3.2380  31.778  3.4862  2.809719       4.757935 
1 1 1 -17 22  23 o 21.376  2.8802  70.500    15.860    80.300    22.619    61.023    22.244    23.053  3.7953  19.699  4.3335  3.354069       5.760501 
1 1 1 -17 22  24 o 13.386  3.1015  27.699    13.187    19.074    18.424    36.760    18.884    11.691  4.3707  15.081  4.4015  -3.389930      6.202967 
1 1 1 -17 23  1  o 34.371  1.9739  161.941   17.968    149.827   25.476    173.931   25.345    33.051  2.9073  35.691  2.6706  -2.639977      3.947700 
1 1 1 -17 23  2  o 49.287  1.9792  331.801   25.989    348.828   36.665    314.607   36.844    50.590  2.7157  47.984  2.8800  2.605179       3.958491 
1 1 1 -17 23  3  o 23.428  2.2710  76.336    13.843    70.074    19.298    82.973    19.869    22.393  3.3178  24.463  3.1019  -2.069906      4.541990 
1 1 1 -17 23  4  o 32.233  2.0192  142.649   17.252    142.991   24.385    142.306   24.412    32.274  2.8502  32.193  2.8609  0.8087158E-01  4.038351 
1 1 1 -17 23  5  o 13.337  2.6835  25.197    10.200    19.497    14.548    30.709    14.306    12.032  3.9270  14.642  3.6583  -2.610014      5.366947 
1 1 1 -17 23  6  o 42.041  2.0586  242.497   23.029    233.658   32.305    251.631   32.838    41.248  2.9433  42.834  2.8789  -1.586739      4.117143 
1 1 1 -17 23  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 23  8  o 50.299  2.1024  348.048   28.195    342.434   39.779    353.717   39.970    49.882  2.9911  50.716  2.9552  -0.8336449     4.204751 
1 1 1 -17 23  9  o 43.340  2.1103  259.448   24.286    280.955   34.502    238.326   34.192    45.179  2.8660  41.501  3.0982  3.678139       4.220516 
1 1 1 -17 23  10 o 25.405  2.3603  91.233    15.534    79.328    21.996    103.076   21.940    23.626  3.5888  27.184  3.0669  -3.557495      4.720696 
1 1 1 -17 23  11 o 18.624  2.6654  50.906    12.833    63.174    18.051    38.370    18.247    21.101  3.3021  16.146  4.1848  4.955164       5.330748 
1 1 1 -17 23  12 o 24.520  2.4383  85.952    15.428    97.324    21.752    74.438    21.887    26.302  3.1502  22.737  3.7227  3.564894       4.876674 
1 1 1 -17 23  13 o 21.704  2.6824  68.973    14.924    59.271    21.421    78.124    20.804    20.027  4.1304  23.380  3.4236  -3.352819      5.364809 
1 1 1 -17 23  14 o 24.226  2.5235  84.634    15.841    92.035    22.586    77.468    22.224    25.358  3.4119  23.095  3.7189  2.263218       5.046912 
1 1 1 -17 23  15 o 32.573  2.2863  150.792   19.683    150.036   27.757    151.556   27.916    32.490  3.2324  32.655  3.2341  -0.1646385     4.572546 
1 1 1 -17 23  16 o 26.659  2.4495  102.748   17.073    102.903   24.405    102.600   23.893    26.658  3.5028  26.661  3.4250  -0.2843857E-02 4.899005 
1 1 1 -17 23  17 o 27.839  2.4627  112.678   17.834    126.187   25.320    99.378    25.123    29.658  3.2400  26.020  3.7097  3.638023       4.925385 
1 1 1 -17 23  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 23  19 o 17.791  2.9234  48.628    14.290    71.666    20.646    27.445    19.798    22.016  3.6275  13.566  4.5854  8.449683       5.846770 
1 1 1 -17 23  20 o 11.983  3.0405  19.051    12.771    27.445    18.250    10.997    17.877    13.466  4.3985  10.501  4.1991  2.964692       6.081036 
1 1 1 -17 23  21 o 16.625  3.1526  43.961    14.401    48.857    20.207    38.906    20.530    17.629  4.3144  15.620  4.5980  2.008970       6.305214 
1 1 1 -17 23  22 o 25.076  2.7200  95.819    17.657    91.246    25.147    100.266   24.799    24.365  3.9916  25.787  3.6962  -1.421921      5.440094 
1 1 1 -17 23  23 o 16.682  3.2294  45.613    14.840    53.475    22.277    39.341    19.897    17.939  4.6109  15.424  4.5228  2.515187       6.458821 
1 1 1 -17 24  1  o 47.402  1.9892  307.505   25.128    294.957   35.407    320.239   35.667    46.407  2.8625  48.397  2.7628  -1.990887      3.978338 
1 1 1 -17 24  2  o 24.095  2.2390  81.163    13.992    91.381    19.811    70.994    19.764    25.702  2.9301  22.488  3.3863  3.214605       4.477983 
1 1 1 -17 24  3  o 40.809  2.0210  228.700   21.936    238.005   31.043    219.420   31.002    41.663  2.7980  39.955  2.9170  1.707645       4.041974 
1 1 1 -17 24  4  o 42.979  2.8839  253.812   33.007    0.0000    0.0000    253.812   33.007    ?       ?       42.979  2.8839  ?              ?        
1 1 1 -17 24  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 24  6  o 21.241  2.4747  64.462    13.468    53.909    19.079    74.946    19.016    19.352  3.8163  23.129  3.1517  -3.776497      4.949411 
1 1 1 -17 24  7  o 31.316  2.1985  136.650   18.169    143.505   25.590    129.683   25.801    32.154  3.0062  30.479  3.2087  1.675407       4.396904 
1 1 1 -17 24  8  o 50.772  2.1369  356.953   28.920    346.073   40.694    368.055   41.108    49.969  3.0551  51.574  2.9886  -1.604839      4.273800 
1 1 1 -17 24  9  o 23.354  2.4334  77.531    14.760    75.476    20.557    79.719    21.207    23.030  3.4378  23.678  3.4449  -0.6473122     4.866781 
1 1 1 -17 24  10 o 44.574  2.1718  277.341   25.741    291.345   36.371    263.289   36.435    45.757  2.9840  43.392  3.1565  2.364773       4.343692 
1 1 1 -17 24  11 o 35.675  2.1964  178.675   20.777    177.407   29.420    179.936   29.348    35.539  3.1223  35.810  3.0900  -0.2710114     4.392774 
1 1 1 -17 24  12 o 56.481  2.2197  448.214   33.443    440.272   47.296    456.156   47.295    55.954  3.1688  57.007  3.1091  -1.053226      4.439352 
1 1 1 -17 24  13 o 35.596  2.2679  179.906   21.383    176.926   30.438    182.809   30.047    35.271  3.2587  35.921  3.1549  -0.6502228     4.535728 
1 1 1 -17 24  14 o 41.722  2.2320  247.280   24.744    243.354   35.376    251.041   34.621    41.348  3.2196  42.095  3.0923  -0.7465553     4.464069 
1 1 1 -17 24  15 o 26.800  2.5292  105.010   17.650    100.574   25.460    109.113   24.489    26.146  3.7423  27.454  3.4033  -1.308229      5.058368 
1 1 1 -17 24  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 24  17 o 34.034  2.3870  167.702   21.437    178.467   30.508    157.201   30.130    35.195  3.2738  32.872  3.4747  2.322960       4.773974 
1 1 1 -17 24  18 o 20.950  2.9423  67.563    15.901    75.308    22.179    59.372    22.809    22.414  3.8319  19.485  4.4659  2.929150       5.884522 
1 1 1 -17 24  19 f 12.701  3.0191  22.044    13.257    6.8680    18.737    37.255    18.759    10.010  4.1830  15.392  4.3547  -5.381823      6.038287 
1 1 1 -17 24  20 o 11.220  2.9861  15.396    12.720    5.9227    18.185    24.471    17.799    9.7188  4.0946  12.721  4.3475  -3.002458      5.972157 
1 1 1 -17 24  21 o 19.121  3.1215  59.443    15.759    49.667    22.338    69.130    22.237    17.288  4.7003  20.955  4.1087  -3.666712      6.242958 
1 1 1 -17 25  1  o 38.129  2.4138  206.443   23.434    185.832   37.456    219.700   30.039    36.293  3.9150  39.964  2.8244  -3.670341      4.827517 
1 1 1 -17 25  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 25  3  o 34.606  2.4076  162.765   21.377    149.096   26.724    187.055   35.623    32.760  3.0817  36.452  3.6999  -3.691601      4.815195 
1 1 1 -17 25  4  o 15.676  2.7634  36.176    11.768    44.906    16.338    26.766    16.964    17.661  3.5765  13.690  4.2135  3.970655       5.526758 
1 1 1 -17 25  5  o 32.093  2.1750  143.686   18.406    130.749   25.856    156.979   26.209    30.561  3.2064  33.624  2.9396  -3.063122      4.349998 
1 1 1 -17 25  6  o 38.988  2.1232  211.570   21.974    221.698   30.990    201.330   31.163    39.973  2.9145  38.002  3.0882  1.970879       4.246361 
1 1 1 -17 25  7  o 24.342  2.4687  84.529    15.624    83.924    21.657    85.186    22.561    24.276  3.4258  24.407  3.5555  -0.1308842     4.937393 
1 1 1 -17 25  8  o 17.111  2.8561  43.171    13.181    28.921    18.174    58.986    19.146    14.070  4.3664  20.152  3.6828  -6.081940      5.712106 
1 1 1 -17 25  9  o 49.891  2.1824  348.971   29.016    354.757   40.981    343.156   41.088    50.330  3.0544  49.453  3.1179  0.8775215      4.364740 
1 1 1 -17 25  10 o 42.587  2.1876  255.473   24.783    253.907   35.079    257.032   35.018    42.447  3.1070  42.726  3.0805  -0.2794418     4.375296 
1 1 1 -17 25  11 o 41.784  2.2570  247.700   25.067    250.464   35.659    245.000   35.246    42.015  3.1926  41.553  3.1911  0.4617424      4.513971 
1 1 1 -17 25  12 o 19.473  2.8161  57.109    14.197    66.542    20.226    47.947    19.933    21.238  3.6895  17.708  4.2554  3.529709       5.632117 
1 1 1 -17 25  13 o 9.6690  2.7874  7.1297    11.430    4.1756    15.961    10.240    16.377    9.1591  3.8461  10.179  4.0355  -1.019826      5.574778 
1 1 1 -17 25  14 o 12.314  4.3492  21.369    17.885    0.0000    0.0000    21.369    17.885    ?       ?       12.314  4.3492  ?              ?        
1 1 1 -17 25  15 o 11.758  4.4032  17.929    18.715    17.929    18.715    0.0000    0.0000    11.758  4.4032  ?       ?       ?              ?        
1 1 1 -17 25  16 o 26.738  2.6776  106.568   18.589    99.825    26.448    113.152   26.132    25.770  3.9584  27.706  3.6068  -1.936989      5.355167 
1 1 1 -17 25  17 o 29.018  2.5927  125.049   19.675    118.871   27.801    131.247   27.848    28.210  3.7739  29.825  3.5561  -1.614353      5.185381 
1 1 1 -17 25  18 o 16.413  3.0856  42.653    14.718    62.236    21.052    23.931    20.584    20.043  4.0604  12.783  4.6472  7.260684       6.171189 
1 1 1 -17 25  19 o 7.3711  2.4167  -10.0569  11.384    -8.4062   16.203    -11.6660  15.997    7.5525  3.4760  7.1897  3.3585  0.3627305      4.833456 
1 1 1 -17 26  1  o 37.218  2.1041  192.560   20.737    209.644   29.458    175.778   29.196    38.922  2.8454  35.514  3.1004  3.407551       4.208114 
1 1 1 -17 26  2  o 26.986  2.2491  102.289   15.932    97.326    22.234    107.527   22.841    26.288  3.2253  27.684  3.1356  -1.395695      4.498247 
1 1 1 -17 26  3  o 20.835  2.5275  62.612    13.488    50.918    18.806    75.002    19.357    18.659  3.8890  23.012  3.2294  -4.353081      5.055050 
1 1 1 -17 26  4  o 37.625  2.1453  197.836   21.426    204.461   30.331    191.237   30.272    38.284  2.9814  36.966  3.0856  1.318085       4.290633 
1 1 1 -17 26  5  o 15.685  2.8800  36.577    12.298    42.498    17.427    30.702    17.358    16.955  3.9162  14.414  4.2237  2.541180       5.759919 
1 1 1 -17 26  6  o 9.4124  2.4008  3.2159    9.8359    22.965    13.615    -18.3421  14.225    12.573  3.7553  6.2522  2.9920  6.320562       4.801520 
1 1 1 -17 26  7  o 30.848  2.3414  135.748   18.880    116.928   26.406    155.430   27.005    28.511  3.5335  33.185  3.0730  -4.673540      4.682819 
1 1 1 -17 26  8  o 22.010  2.6554  71.230    15.079    72.352    20.966    70.028    21.702    22.248  3.6446  21.772  3.8629  0.4751987      5.310833 
1 1 1 -17 26  9  o 19.388  2.7796  56.340    13.939    52.746    19.761    59.898    19.665    18.692  4.0629  20.084  3.7945  -1.391973      5.559240 
1 1 1 -17 26  10 o 28.483  2.4583  117.892   18.339    124.293   25.975    111.531   25.895    29.330  3.3674  27.637  3.5824  1.692863       4.916613 
1 1 1 -17 26  11 o 8.7774  2.6346  2.7284    10.797    4.5068    14.814    0.7129    15.771    8.9339  3.7251  8.6208  3.7266  0.3131742      5.269134 
1 1 1 -17 26  12 o 16.495  3.1967  42.875    14.569    39.891    21.247    45.524    20.016    15.899  4.6770  17.090  4.3589  -1.190308      6.393315 
1 1 1 -17 26  13 o 39.498  3.3673  226.141   35.284    226.141   35.284    0.0000    0.0000    39.498  3.3673  ?       ?       ?              ?        
1 1 1 -17 26  14 o 14.659  3.1767  33.589    13.693    36.186    19.135    30.865    19.601    15.191  4.4299  14.126  4.5542  1.065242       6.353356 
1 1 1 -17 26  15 o 16.021  3.2105  40.708    14.551    48.449    20.938    33.477    20.237    17.472  4.4591  14.571  4.6202  2.901172       6.421077 
1 1 1 -17 26  16 o 25.482  2.8703  100.035   18.718    117.696   26.655    82.853    26.291    28.062  3.6314  22.903  4.4460  5.159201       5.740601 
1 1 1 -17 26  17 o 9.0530  2.7546  2.2502    12.277    -4.0732   17.800    7.9880    16.955    8.3865  3.7744  9.7194  4.0132  -1.332912      5.509245 
1 1 1 -17 26  18 o 15.366  3.1884  39.037    14.460    27.369    20.283    51.095    20.620    13.095  4.6308  17.636  4.3839  -4.541371      6.376801 
1 1 1 -17 27  1  o 32.872  2.2085  152.105   19.202    157.697   27.246    146.587   27.067    33.503  3.0703  32.241  3.1755  1.262444       4.417099 
1 1 1 -17 27  2  o 21.403  2.6980  67.031    14.898    65.982    21.094    68.075    21.045    21.214  3.8543  21.591  3.7765  -0.3767757     5.396089 
1 1 1 -17 27  3  o 44.427  2.1179  276.910   25.049    278.774   35.142    274.985   35.714    44.604  2.9582  44.250  3.0316  0.3541794      4.235745 
1 1 1 -17 27  4  o 11.884  2.9469  18.395    11.838    11.822    16.360    25.620    17.152    10.523  4.0739  13.246  4.2591  -2.722972      5.893811 
1 1 1 -17 27  5  o 12.655  2.6609  19.389    11.895    -3.9349   16.790    42.892    16.854    8.3581  3.7205  16.952  3.8053  -8.593746      5.321887 
1 1 1 -17 27  6  o 7.8231  2.3819  -0.0632   9.0861    3.3626    13.194    -3.1532   12.531    8.3957  3.5094  7.2505  3.2216  1.145225       4.763831 
1 1 1 -17 27  7  o 15.038  3.0836  34.788    13.160    32.815    18.616    36.759    18.607    14.630  4.3960  15.445  4.3255  -0.8156500     6.167223 
1 1 1 -17 27  8  o 24.605  2.7619  91.023    17.021    62.073    23.454    123.239   24.742    19.964  4.4944  29.247  3.2112  -9.282612      5.523733 
1 1 1 -17 27  9  o 15.926  3.0814  39.694    13.552    42.263    18.609    36.793    19.776    16.521  4.1969  15.331  4.5128  1.190268       6.162723 
1 1 1 -17 27  10 o 17.815  2.9582  49.327    14.726    75.010    21.239    25.550    20.435    22.448  3.6584  13.183  4.6496  9.264640       5.916348 
1 1 1 -17 27  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 27  12 o 14.035  3.1400  29.629    13.644    19.461    18.719    41.156    19.931    11.950  4.4177  16.120  4.4635  -4.170782      6.279983 
1 1 1 -17 27  13 o 8.1912  2.5740  -5.2711   11.675    -14.7807  16.194    5.0212    16.847    7.0202  3.3105  9.3622  3.9425  -2.341925      5.148081 
1 1 1 -17 27  14 o 13.719  3.1973  27.718    14.386    43.309    21.149    14.292    19.625    16.319  4.6262  11.120  4.4147  5.198951       6.394669 
1 1 1 -17 27  15 o 21.418  3.1038  73.481    17.198    73.607    23.899    73.345    24.768    21.509  4.2985  21.326  4.4786  0.1832981      6.207623 
1 1 1 -17 27  16 o 6.4833  2.1789  -15.7902  10.336    -21.8696  14.287    -9.1147   14.971    5.8599  2.8512  7.1067  3.2957  -1.246751      4.357826 
1 1 1 -17 28  1  o 15.694  2.9527  37.196    12.879    27.645    17.902    47.443    18.542    13.637  4.3477  17.750  3.9963  -4.113616      5.905378 
1 1 1 -17 28  2  o 11.055  2.8687  15.331    11.357    20.246    15.434    9.5265    16.773    11.953  4.0485  10.157  4.0654  1.795461       5.737397 
1 1 1 -17 28  3  o 14.286  2.8653  30.116    12.140    16.946    16.790    44.543    17.573    11.409  4.1896  17.163  3.9100  -5.753604      5.730693 
1 1 1 -17 28  4  o 20.982  2.8456  66.801    15.388    72.068    21.514    61.284    22.018    21.982  3.7909  19.983  4.2447  1.999496       5.691130 
1 1 1 -17 28  5  o 27.799  2.5813  114.285   18.544    131.787   26.402    97.245    26.052    30.142  3.3256  25.456  3.9488  4.685678       5.162603 
1 1 1 -17 28  6  o 20.841  2.8932  67.324    15.513    81.996    21.724    52.056    22.161    23.549  3.5548  18.133  4.5657  5.416304       5.786386 
1 1 1 -17 28  7  o 11.468  2.9291  17.498    11.734    11.774    16.393    23.511    16.802    10.353  4.0586  12.583  4.2244  -2.230396      5.858131 
1 1 1 -17 28  8  o 23.726  3.9371  85.281    24.143    0.0000    0.0000    85.281    24.143    ?       ?       23.726  3.9371  ?              ?        
1 1 1 -17 28  9  o 10.759  4.1955  13.410    17.447    13.410    17.447    0.0000    0.0000    10.759  4.1955  ?       ?       ?              ?        
1 1 1 -17 28  10 o 23.070  2.9337  82.093    17.402    70.960    24.320    93.772    24.910    21.233  4.4201  24.907  3.8588  -3.673914      5.867445 
1 1 1 -17 28  11 o 15.635  3.1499  39.067    14.495    52.943    20.425    24.987    20.574    18.322  4.2450  12.948  4.6548  5.374144       6.299783 
1 1 1 -17 28  12 o 15.405  3.1481  37.542    14.749    55.938    21.135    20.079    20.592    18.735  4.3025  12.075  4.5969  6.659770       6.296225 
1 1 1 -17 28  13 o 17.267  3.2704  49.436    15.679    60.242    22.392    39.043    21.960    19.256  4.4332  15.277  4.8093  3.978894       6.540841 
1 1 1 -17 28  14 o 20.199  3.1518  67.546    16.897    46.153    23.348    91.070    24.483    16.312  4.9279  24.085  3.9307  -7.772892      6.303586 
1 1 1 -17 29  1  o 9.4565  2.6968  6.3693    11.190    14.933    14.632    -5.6964   17.368    10.691  3.9133  8.2224  3.7118  2.468225       5.393668 
1 1 1 -17 29  2  o 9.1750  2.6352  -0.4327   11.361    -16.5148  15.370    18.937    16.868    6.6619  3.1662  11.688  4.2133  -5.026359      5.270349 
1 1 1 -17 29  3  o 15.697  3.1103  38.887    13.844    47.581    19.613    30.255    19.543    17.436  4.2405  13.959  4.5512  3.476710       6.220535 
1 1 1 -17 29  4  o 19.751  2.9310  60.672    15.016    54.199    21.385    66.966    21.089    18.532  4.3780  20.970  3.8981  -2.438366      5.861905 
1 1 1 -17 29  5  o 22.397  2.8319  76.908    16.344    72.541    23.301    81.138    22.930    21.642  4.1709  23.152  3.8317  -1.510420      5.663741 
1 1 1 -17 29  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 29  7  o 9.0754  2.7211  -7.8864   11.812    -21.6262  14.413    20.210    20.611    5.9703  2.8953  12.181  4.6081  -6.210234      5.442247 
1 1 1 -17 29  8  o 30.664  2.5572  140.764   20.413    123.110   28.834    158.501   28.902    28.481  3.8807  32.847  3.3312  -4.365599      5.114381 
1 1 1 -17 29  9  o 12.439  3.2088  22.588    13.857    20.739    18.824    24.776    20.474    12.038  4.4338  12.839  4.6398  -0.8009424     6.417617 
1 1 1 -17 29  10 o 18.139  3.2611  54.364    16.056    44.583    22.671    64.207    22.742    16.298  4.8409  19.980  4.3710  -3.682522      6.522273 
1 1 1 -17 29  11 o 16.180  3.3463  44.321    15.480    47.971    21.627    40.485    22.168    16.915  4.6357  15.446  4.8271  1.469548       6.692637 
1 1 1 -17 29  12 o 13.613  3.2484  30.318    14.502    40.328    20.609    20.497    20.412    15.374  4.6265  11.852  4.5611  3.522820       6.496815 
1 1 1 -17 30  1  f 25.610  2.6882  100.721   17.393    122.565   24.328    77.881    24.876    28.964  3.1886  22.256  4.3288  6.708157       5.376391 
1 1 1 -17 30  2  f 20.192  3.0018  63.962    15.707    59.895    21.602    68.524    22.878    19.485  4.2580  20.898  4.2323  -1.412285      6.003568 
1 1 1 -17 30  3  o 9.2742  4.0139  2.3546    18.341    0.0000    0.0000    2.3546    18.341    ?       ?       9.2742  4.0139  ?              ?        
1 1 1 -17 30  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 30  5  o 20.171  3.0597  64.688    16.016    65.444    22.033    63.842    23.321    20.411  4.1710  19.932  4.4776  0.4791718      6.119359 
1 1 1 -17 30  6  o 19.824  3.1828  63.596    16.506    63.508    22.951    63.690    23.757    19.866  4.4264  19.782  4.5748  0.8399200E-01  6.365660 
1 1 1 -17 30  7  o 20.651  3.1700  68.599    17.197    48.993    23.292    92.098    25.499    17.033  4.8640  24.269  4.0665  -7.235659      6.340007 
1 1 1 -17 30  8  o 14.270  3.3331  33.544    14.837    29.180    20.360    38.486    21.664    13.435  4.6473  15.104  4.7793  -1.669762      6.666266 
1 1 1 -17 30  9  o 11.608  3.1350  19.273    13.611    16.542    19.194    22.036    19.303    11.159  4.3863  12.057  4.4804  -0.8981743     6.270066 
1 1 1 -17 30  10 o 11.761  2.9816  16.126    13.700    -3.9383   18.713    39.309    20.114    8.4230  3.8227  15.099  4.5767  -6.676091      5.963172 
1 1 1 -17 31  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -17 31  2  o 7.7469  2.4996  -8.5186   11.195    -14.6196  14.199    1.5022    18.198    6.4155  3.0473  9.0783  3.9630  -2.662848      4.999154 
1 1 1 -17 31  3  o 8.2128  2.5878  -2.2550   11.407    -3.8420   15.123    -0.1603   17.375    7.7345  3.4801  8.6911  3.8308  -0.9566092     5.175540 
1 1 1 -17 31  4  o 5.7104  1.9848  -28.4648  10.693    -20.1070  14.450    -38.5817  15.898    6.0392  2.9213  5.3816  2.6876  0.6575232      3.969565 
1 1 1 -17 31  5  o 10.046  2.9357  9.6980    12.775    10.479    16.878    8.6504    19.549    9.9699  4.0470  10.121  4.2537  -0.1514664     5.871355 
1 1 1 -17 31  6  o 17.544  3.2748  52.857    15.947    64.450    22.401    40.944    22.707    19.771  4.3483  15.318  4.8979  4.453464       6.549590 
1 1 1 -17 31  7  o 10.413  3.0410  10.866    13.671    5.4566    17.865    18.509    21.235    9.3126  3.9955  11.512  4.5854  -2.199819      6.081928 
1 1 1 -17 32  1  o 9.4761  2.8734  5.2549    13.069    8.8653    16.892    -0.1283   20.626    9.6990  4.0053  9.2532  4.1210  0.4457340      5.746755 
1 1 1 -17 32  2  o 11.955  3.1711  21.666    13.919    25.862    18.444    16.114    21.214    12.657  4.4207  11.252  4.5478  1.404829       6.342278 
1 1 1 -17 32  3  o 7.7181  2.5104  -12.5532  11.895    -24.1070  15.267    5.2921    18.974    5.9476  2.9055  9.4886  4.0947  -3.541016      5.020822 
1 1 1 -17 32  4  o 6.7083  2.2786  -17.5419  11.595    -15.3565  14.719    -21.1171  18.826    6.3997  3.0574  7.0169  3.3794  -0.6172004     4.557196 
1 1 1 -17 33  1  o 13.502  3.1034  28.732    13.882    12.504    18.372    50.329    21.193    10.185  4.1883  16.819  4.5806  -6.634743      6.206711 
1 1 1 -16 -29 10 o 11.012  2.8561  12.726    12.887    -12.9106  21.564    26.968    16.073    8.6125  3.9803  13.411  4.0971  -4.798192      5.712171 
1 1 1 -16 -29 11 o 25.511  2.8953  95.201    18.857    121.568   28.844    75.519    24.920    28.738  3.8435  22.285  4.3310  6.452532       5.790507 
1 1 1 -16 -29 12 o 26.767  2.9468  105.321   20.024    139.242   30.222    78.780    26.733    30.880  3.7295  22.653  4.5636  8.226614       5.893672 
1 1 1 -16 -29 13 f 25.194  3.0440  95.838    19.669    93.043    29.334    98.122    26.513    24.654  4.6117  25.735  3.9743  -1.081003      6.087921 
1 1 1 -16 -29 14 o 20.463  3.3439  67.186    18.084    50.501    27.599    79.740    23.940    17.781  5.3548  23.145  4.0068  -5.363878      6.687881 
1 1 1 -16 -29 15 o 15.483  3.3565  37.461    15.763    25.313    24.381    46.186    20.662    13.631  5.0412  17.335  4.4328  -3.703688      6.712922 
1 1 1 -16 -29 16 o 12.595  3.3120  19.777    14.363    25.258    24.356    16.854    17.785    13.619  5.0383  11.571  4.3005  2.048384       6.624057 
1 1 1 -16 -29 17 o 14.783  3.4621  32.373    15.759    37.427    24.720    28.912    20.455    15.594  5.1203  13.971  4.6611  1.623457       6.924129 
1 1 1 -16 -29 18 o 10.704  3.1605  5.1871    15.217    16.123    23.282    -2.9682   20.106    12.164  4.8151  9.2435  4.0951  2.920566       6.321024 
1 1 1 -16 -29 19 o 28.362  2.9348  120.518   21.464    113.741   31.634    126.300   29.220    27.388  4.4662  29.336  3.8085  -1.948126      5.869551 
1 1 1 -16 -29 20 o 41.683  2.5547  251.800   28.240    252.954   40.057    250.660   39.820    41.776  3.6154  41.590  3.6104  0.1867371      5.109427 
1 1 1 -16 -29 21 o 52.573  2.4498  398.042   34.302    403.948   48.679    392.217   48.344    52.978  3.4493  52.169  3.4797  0.8092270      4.899576 
1 1 1 -16 -29 22 o 29.938  3.0232  134.915   23.515    145.266   34.150    125.581   32.428    31.091  4.2090  28.785  4.3408  2.305479       6.046337 
1 1 1 -16 -29 23 o 15.576  3.5900  35.352    17.489    54.660    27.484    22.214    22.671    18.283  5.3025  12.869  4.8410  5.414452       7.179941 
1 1 1 -16 -29 24 o 27.275  3.3292  118.675   22.923    90.744    33.355    143.674   31.555    23.487  5.4133  31.063  3.8770  -7.576727      6.658442 
1 1 1 -16 -29 25 o 12.084  3.4292  10.865    17.387    32.469    27.509    -3.5063   22.436    14.607  5.3629  9.5604  4.2750  5.046824       6.858315 
1 1 1 -16 -28 4  o 14.289  3.0138  31.929    13.812    10.505    22.179    45.500    17.652    11.205  4.6042  17.372  3.8903  -6.167043      6.027699 
1 1 1 -16 -28 5  o 16.756  3.3043  41.969    15.407    56.102    24.039    32.117    20.071    18.957  4.7453  14.555  4.5996  4.401978       6.608657 
1 1 1 -16 -28 6  o 31.707  2.5668  144.644   20.730    190.658   30.688    106.024   28.114    36.650  3.1570  26.764  4.0482  9.885281       5.133685 
1 1 1 -16 -28 7  f 21.946  3.0983  73.965    17.380    64.312    26.405    81.342    23.085    20.333  4.9050  23.559  3.7866  -3.226093      6.196544 
1 1 1 -16 -28 8  o 36.435  2.4042  189.278   23.147    190.494   33.805    188.204   31.761    36.479  3.5029  36.392  3.2941  0.8737564E-01  4.808447 
1 1 1 -16 -28 9  o 33.614  2.5281  162.170   22.352    161.540   32.718    162.722   30.608    33.467  3.7125  33.762  3.4324  -0.2955284     5.056103 
1 1 1 -16 -28 10 o 21.925  3.0549  71.067    17.248    85.686    25.826    59.297    23.174    24.063  4.1574  19.787  4.4771  4.275927       6.109704 
1 1 1 -16 -28 11 f 39.007  2.3627  215.393   24.430    224.934   35.344    206.665   33.806    39.837  3.3433  38.178  3.3395  1.659245       4.725482 
1 1 1 -16 -28 12 o 14.641  3.3092  31.961    14.743    26.515    22.908    35.811    19.262    13.848  4.9188  15.434  4.4283  -1.585879      6.618482 
1 1 1 -16 -28 13 o 27.710  2.7063  111.141   19.529    115.871   28.417    106.907   26.884    28.261  3.8547  27.159  3.7997  1.101917       5.412567 
1 1 1 -16 -28 14 o 14.734  3.0641  31.177    15.464    0.0721    23.789    53.938    20.350    10.436  4.5439  19.033  4.1120  -8.597114      6.128273 
1 1 1 -16 -28 15 o 12.636  3.3236  20.076    14.930    17.832    23.389    21.619    19.396    12.568  4.8696  12.705  4.5246  -0.1369352     6.647185 
1 1 1 -16 -28 16 o 11.808  3.0848  10.549    13.610    33.376    22.284    -3.0307   17.188    15.001  4.8580  8.6155  3.8031  6.385555       6.169596 
1 1 1 -16 -28 17 o 35.600  2.5304  181.044   23.718    199.971   34.152    163.411   32.963    37.495  3.4390  33.706  3.7128  3.789112       5.060792 
1 1 1 -16 -28 18 o 12.212  3.3867  16.010    16.106    14.568    24.205    17.156    21.577    12.213  4.8852  12.212  4.6920  0.5369186E-03  6.773463 
1 1 1 -16 -28 19 o 11.837  3.1100  7.7670    14.554    36.003    23.233    -10.4709  18.672    15.469  4.9552  8.2048  3.7597  7.263728       6.220089 
1 1 1 -16 -28 20 o 13.905  3.3889  24.174    15.744    42.439    24.697    11.672    20.434    16.601  5.0799  11.209  4.4869  5.391755       6.777716 
1 1 1 -16 -28 21 o 22.132  3.4073  74.439    19.840    102.026   29.481    51.600    26.824    26.135  4.3653  18.129  5.2329  8.005814       6.814621 
1 1 1 -16 -28 22 o 15.890  3.4063  37.324    17.850    10.437    26.239    60.488    24.355    11.944  4.9670  19.836  4.6626  -7.892148      6.812554 
1 1 1 -16 -28 23 o 52.496  2.4366  393.479   34.044    413.074   48.463    374.391   47.833    53.855  3.3768  51.137  3.5135  2.717667       4.873141 
1 1 1 -16 -28 24 o 33.329  2.7713  162.751   24.257    168.793   34.754    157.011   33.871    33.957  3.8912  32.700  3.9470  1.257217       5.542590 
1 1 1 -16 -28 25 o 18.496  3.2672  48.983    19.013    96.706    28.309    9.7609    25.664    25.302  4.3330  11.690  4.8911  13.61158       6.534329 
1 1 1 -16 -28 26 o 32.684  2.7923  158.007   23.948    156.829   33.883    159.183   33.853    32.546  3.9690  32.822  3.9288  -0.2763252     5.584675 
1 1 1 -16 -28 27 o 9.1525  2.9525  -9.3943   15.613    -3.9006   25.003    -12.9059  19.990    10.089  4.5120  8.2159  3.8094  1.873175       5.905070 
1 1 1 -16 -28 28 o 35.755  2.7447  190.207   25.642    216.878   36.695    164.755   35.847    38.465  3.6037  33.045  4.1409  5.419441       5.489423 
1 1 1 -16 -28 29 o 16.909  3.4611  46.035    19.487    10.761    28.868    75.566    26.413    12.016  5.1150  21.802  4.6642  -9.785412      6.922301 
1 1 1 -16 -27 1  o 17.985  3.1161  49.007    14.844    56.989    22.457    42.814    19.782    19.268  4.4423  16.702  4.3711  2.565701       6.232198 
1 1 1 -16 -27 2  o 18.371  3.1469  53.842    15.652    36.397    24.115    66.543    20.575    15.470  5.0561  21.273  3.7480  -5.802739      6.293832 
1 1 1 -16 -27 3  o 17.931  3.2416  48.706    15.410    52.136    24.317    46.404    19.920    18.347  4.8679  17.516  4.2819  0.8307610      6.483171 
1 1 1 -16 -27 4  o 40.752  2.2680  233.831   24.513    253.148   35.589    216.394   33.812    42.390  3.1571  39.115  3.2570  3.275520       4.535956 
1 1 1 -16 -27 5  o 33.483  2.3716  159.415   20.908    154.674   30.519    163.607   28.700    32.918  3.5158  34.049  3.1840  -1.130920      4.743240 
1 1 1 -16 -27 6  f 24.092  2.7857  84.003    17.283    93.232    25.913    76.607    23.197    25.289  3.9551  22.894  3.9241  2.395182       5.571430 
1 1 1 -16 -27 7  o 47.806  2.2592  322.052   28.613    295.316   41.196    346.972   39.772    45.739  3.3867  49.872  2.9912  -4.132896      4.518472 
1 1 1 -16 -27 8  o 56.298  2.2348  443.122   33.540    466.589   48.119    420.946   46.776    57.781  3.1207  54.816  3.1998  2.965092       4.469630 
1 1 1 -16 -27 9  o 25.210  2.6562  90.520    17.123    114.426   25.646    71.291    23.002    28.365  3.4463  22.055  4.0427  6.310587       5.312336 
1 1 1 -16 -27 10 o 13.343  3.3009  23.992    14.387    26.127    22.331    22.478    18.810    13.820  4.8620  12.865  4.4659  0.9547167      6.601799 
1 1 1 -16 -27 11 o 13.680  2.8045  27.624    12.530    4.2609    19.876    43.031    16.141    10.177  4.2837  17.184  3.6210  -7.007589      5.609029 
1 1 1 -16 -27 12 o 8.8310  2.6742  -0.6843   11.829    -17.2504  19.945    8.3032    14.691    7.9855  3.7367  9.6765  3.8266  -1.690948      5.348429 
1 1 1 -16 -27 13 o 33.956  2.4530  164.408   21.789    144.785   31.257    182.958   30.390    31.806  3.7404  36.105  3.1747  -4.299267      4.906099 
1 1 1 -16 -27 14 o 36.864  2.3891  191.990   23.303    185.709   33.255    198.051   32.664    36.215  3.4708  37.513  3.2839  -1.297371      4.778114 
1 1 1 -16 -27 15 o 38.421  2.3586  208.343   23.966    223.814   33.861    192.812   33.925    39.941  3.1918  36.901  3.4733  3.040134       4.717167 
1 1 1 -16 -27 16 o 35.245  2.4586  176.538   22.819    162.932   32.545    189.695   32.003    33.795  3.6535  36.694  3.2912  -2.899536      4.917297 
1 1 1 -16 -27 17 o 34.464  2.5204  170.213   22.583    141.611   32.041    198.445   31.833    31.343  3.9010  37.584  3.1924  -6.240891      5.040740 
1 1 1 -16 -27 18 o 24.019  3.0078  86.348    18.410    69.047    26.577    102.307   25.526    21.351  4.7678  26.687  3.6681  -5.335457      6.015585 
1 1 1 -16 -27 19 o 59.250  2.3111  492.643   36.526    480.672   51.031    505.219   52.303    58.510  3.2693  59.991  3.2673  -1.480774      4.622123 
1 1 1 -16 -27 20 f 19.276  3.4688  55.953    18.207    73.072    27.020    41.715    24.641    21.972  4.7310  16.579  5.0743  5.393749       6.937636 
1 1 1 -16 -27 21 o 15.095  3.3953  30.479    16.874    53.235    24.672    10.480    23.130    18.639  4.8833  11.551  4.7188  7.088518       6.790692 
1 1 1 -16 -27 22 o 12.893  3.2707  12.242    16.131    43.635    25.361    -9.0895   20.905    16.882  5.1440  8.9040  4.0408  7.978432       6.541327 
1 1 1 -16 -27 23 o 30.842  2.7672  137.403   22.246    154.561   32.557    122.377   30.468    32.737  3.7826  28.947  4.0398  3.790390       5.534313 
1 1 1 -16 -27 24 o 50.273  2.3926  358.304   31.999    340.406   45.112    376.429   45.397    48.938  3.4640  51.608  3.3015  -2.669369      4.785276 
1 1 1 -16 -27 25 o 18.048  3.3141  48.292    17.496    77.952    25.769    22.930    23.829    22.778  4.3828  13.318  4.9723  9.460137       6.628174 
1 1 1 -16 -27 26 o 16.819  3.3874  43.771    17.206    22.891    25.074    62.351    23.653    13.405  5.0799  20.233  4.4825  -6.828778      6.774831 
1 1 1 -16 -27 27 o 17.069  3.6730  43.881    19.126    64.765    28.280    26.274    25.966    20.205  5.1962  13.934  5.1927  6.271174       7.346057 
1 1 1 -16 -27 28 o 37.059  2.6205  200.229   25.534    182.533   36.370    217.428   35.856    35.260  3.9172  38.858  3.4819  -3.598576      5.241018 
1 1 1 -16 -27 29 o 23.888  3.3222  88.630    20.483    85.848    29.454    91.235    28.504    23.405  4.8574  24.370  4.5335  -0.9647598     6.644327 
1 1 1 -16 -27 30 o 18.065  3.5011  51.285    18.463    75.421    26.947    29.931    25.347    21.892  4.7334  14.238  5.1598  7.654047       7.002110 
1 1 1 -16 -27 31 o 24.191  3.3809  93.812    21.065    75.241    30.127    111.576   29.465    21.341  5.2956  27.042  4.2046  -5.700649      6.761775 
1 1 1 -16 -27 32 o 12.072  3.4488  15.521    17.490    24.253    25.139    7.3276    24.350    13.183  5.0646  10.962  4.6827  2.220917       6.897658 
1 1 1 -16 -26 1  o 29.108  2.4951  121.110   18.997    123.273   28.057    119.279   25.813    29.283  3.6569  28.933  3.3954  0.3494949      4.990163 
1 1 1 -16 -26 2  o 13.445  3.0182  26.546    12.579    16.716    20.117    32.856    16.118    11.992  4.5488  14.897  3.9682  -2.904837      6.036433 
1 1 1 -16 -26 3  o 16.092  3.2177  37.891    14.430    46.534    22.212    31.580    18.980    17.547  4.6509  14.637  4.4479  2.909512       6.435428 
1 1 1 -16 -26 4  o 12.565  3.1037  17.675    13.027    33.679    21.265    8.0594    16.483    15.119  4.7282  10.012  4.0220  5.106537       6.207443 
1 1 1 -16 -26 5  o 57.200  2.2083  455.846   33.641    494.237   48.370    419.876   46.820    59.595  3.0403  54.804  3.2035  4.791050       4.416554 
1 1 1 -16 -26 6  o 49.977  2.1587  348.399   28.707    335.128   41.258    360.854   39.968    48.980  3.1617  50.973  2.9399  -1.992683      4.317336 
1 1 1 -16 -26 7  o 22.807  2.6953  74.714    15.816    80.755    23.752    69.903    21.199    23.613  3.8911  22.001  3.7307  1.611607       5.390563 
1 1 1 -16 -26 8  o 7.3080  2.3631  -8.2168   10.214    -22.5544  18.490    -1.9210   12.252    7.2053  3.4380  7.4107  3.2429  -0.2053399     4.726127 
1 1 1 -16 -26 9  o 21.229  2.8997  65.323    15.796    72.615    24.032    59.776    20.960    22.250  4.1862  20.209  4.0137  2.040865       5.799471 
1 1 1 -16 -26 10 o 30.952  2.4330  135.136   19.798    145.002   28.777    126.269   27.281    32.050  3.4043  29.854  3.4767  2.195726       4.865901 
1 1 1 -16 -26 11 o 18.989  2.8949  55.036    14.271    39.943    21.640    66.650    18.983    16.360  4.6938  21.619  3.3898  -5.258589      5.789821 
1 1 1 -16 -26 12 o 15.008  2.9521  33.276    14.094    7.7563    21.404    52.810    18.726    10.966  4.5164  19.051  3.8030  -8.085455      5.904289 
1 1 1 -16 -26 13 o 34.310  2.4039  166.507   21.681    151.330   31.002    181.035   30.332    32.657  3.6043  35.963  3.1817  -3.305630      4.807739 
1 1 1 -16 -26 14 o 30.612  2.5294  133.045   20.345    130.426   28.716    135.684   28.828    30.289  3.6107  30.934  3.5433  -0.6440487     5.058850 
1 1 1 -16 -26 15 o 25.745  2.7208  95.631    18.126    91.454    26.286    99.416    25.027    25.107  4.0463  26.383  3.6383  -1.276249      5.441543 
1 1 1 -16 -26 16 f 20.442  3.1455  65.905    17.354    32.632    25.620    94.114    23.589    15.177  5.2152  25.706  3.5184  -10.52857      6.291040 
1 1 1 -16 -26 17 o 11.391  2.9341  12.696    13.347    -9.8703   21.043    27.887    17.265    8.9134  4.0485  13.868  4.2479  -4.954794      5.868143 
1 1 1 -16 -26 18 o 43.378  2.2906  264.579   26.216    299.774   37.118    229.549   37.032    46.415  3.0017  40.341  3.4607  6.074642       4.581133 
1 1 1 -16 -26 19 o 25.221  3.0020  94.040    19.382    81.265    28.036    105.735   26.824    23.323  4.6509  27.118  3.7971  -3.794708      6.004097 
1 1 1 -16 -26 20 o 59.954  2.3041  503.768   36.818    519.675   51.474    487.106   52.683    61.003  3.1611  58.905  3.3530  2.097790       4.608160 
1 1 1 -16 -26 21 o 30.205  2.7571  132.412   21.456    110.508   30.426    154.082   30.263    27.459  4.2761  32.951  3.4816  -5.492220      5.514164 
1 1 1 -16 -26 22 o 22.177  3.2961  74.115    18.943    71.459    27.342    76.566    26.269    21.703  4.8280  22.651  4.4884  -0.9479847     6.592126 
1 1 1 -16 -26 23 o 23.583  3.2084  82.955    19.492    86.265    28.662    80.107    26.588    23.982  4.6298  23.185  4.4432  0.7970943      6.416897 
1 1 1 -16 -26 24 o 43.692  2.3722  270.089   27.489    253.476   39.097    286.330   38.657    42.266  3.4846  45.118  3.2199  -2.852108      4.744475 
1 1 1 -16 -26 25 o 42.329  2.4157  254.942   27.008    231.003   38.605    277.891   37.798    40.221  3.6223  44.437  3.1971  -4.215893      4.831371 
1 1 1 -16 -26 26 o 12.312  3.3520  15.859    16.262    3.4657    23.823    26.675    22.254    10.804  4.6238  13.821  4.8542  -3.017578      6.703961 
1 1 1 -16 -26 27 f 52.335  2.3192  387.067   32.315    406.681   45.805    367.632   45.595    53.727  3.1974  50.944  3.3604  2.783665       4.638463 
1 1 1 -16 -26 28 o 39.884  2.4179  226.724   25.525    245.124   36.494    209.101   35.714    41.555  3.3060  38.213  3.5291  3.341976       4.835754 
1 1 1 -16 -26 29 o 17.142  3.5925  46.352    17.870    38.610    26.762    52.580    24.006    15.894  5.3315  18.389  4.8165  -2.494771      7.184932 
1 1 1 -16 -26 30 o 11.535  3.3506  10.409    16.712    16.613    24.158    4.7165    23.142    12.356  4.9005  10.714  4.5706  1.642375       6.701108 
1 1 1 -16 -26 31 o 20.975  3.4439  69.199    19.470    95.133    28.290    45.859    26.838    25.017  4.3817  16.934  5.3144  8.083092       6.887824 
1 1 1 -16 -26 32 o 17.908  3.4749  49.836    18.602    77.856    27.117    24.929    25.567    22.292  4.6902  13.524  5.1285  8.767782       6.949748 
1 1 1 -16 -26 33 o 11.368  3.3212  10.876    16.535    16.945    23.902    5.3053    22.899    12.160  4.8579  10.576  4.5301  1.583276       6.642362 
1 1 1 -16 -26 34 o 14.269  3.6420  31.054    18.088    39.844    25.976    22.781    25.201    15.568  5.2524  12.970  5.0466  2.598260       7.283944 
1 1 1 -16 -25 1  o 25.596  2.5466  93.733    16.944    93.851    24.705    93.629    23.284    25.560  3.7177  25.633  3.4814  -0.7319450E-01 5.093210 
1 1 1 -16 -25 2  o 10.643  2.8837  11.941    11.589    7.2386    17.851    15.367    15.237    10.181  4.1508  11.105  4.0043  -0.9238186     5.767420 
1 1 1 -16 -25 3  o 20.546  2.9630  64.443    15.612    47.378    23.556    77.809    20.848    17.723  4.8303  23.369  3.4331  -5.645908      5.925993 
1 1 1 -16 -25 4  o 34.330  2.2754  164.273   20.586    186.200   30.296    145.466   28.058    36.503  3.1289  32.157  3.3045  4.346638       4.550802 
1 1 1 -16 -25 5  o 28.860  2.4395  117.085   18.406    131.580   27.197    104.836   25.002    30.547  3.3808  27.173  3.5177  3.373726       4.878918 
1 1 1 -16 -25 6  o 38.208  2.2313  202.849   22.541    228.534   32.983    180.340   30.877    40.526  3.0612  35.889  3.2471  4.636356       4.462583 
1 1 1 -16 -25 7  o 57.759  2.1642  462.516   33.325    501.526   47.432    424.489   46.831    60.280  2.9377  55.237  3.1787  5.043064       4.328324 
1 1 1 -16 -25 8  o 7.9086  3.6426  -12.0627  17.837    -12.0627  17.837    0.0000    0.0000    7.9086  3.6426  ?       ?       ?              ?        
1 1 1 -16 -25 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -25 20 o 12.321  4.7502  16.345    22.170    16.345    22.170    0.0000    0.0000    12.321  4.7502  ?       ?       ?              ?        
1 1 1 -16 -25 21 o 15.900  3.4918  37.163    16.435    40.752    23.924    33.955    22.617    16.529  4.9872  15.272  4.8887  1.257071       6.983701 
1 1 1 -16 -25 22 o 19.722  3.3240  58.810    17.390    50.406    25.040    66.640    24.170    18.236  4.9841  21.207  4.3992  -2.971230      6.647905 
1 1 1 -16 -25 23 o 44.714  2.3154  280.428   27.515    293.569   39.003    267.408   38.822    45.807  3.1990  43.621  3.3483  2.186523       4.630797 
1 1 1 -16 -25 24 o 35.886  2.4654  182.776   23.222    158.794   32.580    207.542   33.108    33.342  3.7111  38.431  3.2467  -5.089203      4.930892 
1 1 1 -16 -25 25 o 52.089  2.2912  380.666   31.796    367.440   44.766    394.131   45.169    51.140  3.2855  53.038  3.1944  -1.898338      4.582465 
1 1 1 -16 -25 26 o 30.485  2.6753  133.877   21.203    152.854   30.403    115.908   29.585    32.754  3.5208  28.216  4.0290  4.537323       5.350544 
1 1 1 -16 -25 27 o 41.248  2.3352  240.184   25.571    250.125   36.624    230.727   35.720    42.103  3.2733  40.392  3.3313  1.710758       4.670317 
1 1 1 -16 -25 28 o 18.915  3.4479  54.033    17.885    71.973    26.620    39.272    24.147    21.749  4.7063  16.082  5.0400  5.667088       6.895739 
1 1 1 -16 -25 29 o 27.932  3.0064  115.636   21.430    141.385   30.866    91.669    29.778    31.270  3.7606  24.593  4.6918  6.676872       6.012875 
1 1 1 -16 -25 30 o 24.628  3.1368  91.138    19.911    98.164    28.348    84.296    27.973    25.679  4.2716  23.576  4.5948  2.103224       6.273641 
1 1 1 -16 -25 31 o 13.992  3.1638  24.743    16.096    -4.4614   23.502    50.542    22.090    9.8523  4.3926  18.132  4.5545  -8.279305      6.327562 
1 1 1 -16 -25 32 o 32.659  2.6748  155.141   22.915    167.628   33.686    144.387   31.263    33.894  3.7747  31.424  3.7909  2.470215       5.349686 
1 1 1 -16 -25 33 o 19.887  3.5958  63.435    19.242    60.298    27.879    66.288    26.592    19.311  5.2512  20.462  4.9137  -1.150679      7.191672 
1 1 1 -16 -25 34 o 17.086  3.6192  47.562    18.797    30.042    27.580    62.759    25.687    14.359  5.3516  19.813  4.8740  -5.453611      7.238467 
1 1 1 -16 -25 35 o 9.4544  3.0070  -5.1203   16.045    -10.4598  22.951    -0.0167   22.439    9.0205  4.1463  9.8883  4.3562  -0.8678493     6.013988 
1 1 1 -16 -25 36 o 28.575  3.1516  130.297   22.720    101.231   32.632    157.646   31.654    24.749  5.0924  32.400  3.7145  -7.651064      6.303204 
1 1 1 -16 -24 1  f 75.060  2.2819  783.179   45.869    794.346   65.562    772.471   64.198    75.574  3.2388  74.546  3.2152  1.027756       4.563713 
1 1 1 -16 -24 2  o 34.098  3.1841  162.568   28.744    162.568   28.744    0.0000    0.0000    34.098  3.1841  ?       ?       ?              ?        
1 1 1 -16 -24 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -24 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -24 5  f 14.641  3.1265  19.140    11.882    57.703    26.677    9.5955    13.271    19.608  5.0490  9.6751  3.6887  9.932633       6.252927 
1 1 1 -16 -24 6  o 42.381  2.0902  248.096   23.570    250.346   33.879    245.986   32.813    42.553  2.9915  42.210  2.9202  0.3428268      4.180468 
1 1 1 -16 -24 7  o 26.522  2.4721  100.204   16.887    87.642    24.694    111.239   23.145    24.786  3.8440  28.258  3.1094  -3.472103      4.944136 
1 1 1 -16 -24 8  o 31.556  2.4083  142.856   19.225    104.791   27.681    178.326   26.721    27.130  3.9231  35.983  2.7944  -8.852213      4.816598 
1 1 1 -16 -24 9  o 14.577  2.7553  30.907    12.665    5.9244    19.151    50.326    16.884    10.362  4.2704  18.792  3.4827  -8.429991      5.510517 
1 1 1 -16 -24 10 o 31.179  2.2982  135.246   18.893    142.923   27.044    127.927   26.404    32.072  3.1904  30.285  3.3088  1.786560       4.596431 
1 1 1 -16 -24 11 o 16.366  3.0767  39.734    13.838    31.772    21.153    45.690    18.296    14.961  4.7214  17.772  3.9462  -2.811408      6.153419 
1 1 1 -16 -24 12 o 15.555  2.9925  33.547    13.295    50.222    19.956    20.238    17.828    18.607  4.1134  12.503  4.3473  6.104609       5.984922 
1 1 1 -16 -24 13 o 34.499  2.3279  166.998   20.801    203.109   29.529    131.427   29.307    38.410  2.8914  30.588  3.6491  7.822117       4.655779 
1 1 1 -16 -24 14 o 22.925  2.8284  76.258    16.388    103.278   23.608    51.127    22.767    27.188  3.3101  18.662  4.5871  8.525419       5.656745 
1 1 1 -16 -24 15 o 46.379  2.1522  296.614   26.570    300.052   37.040    292.971   38.134    46.686  2.9777  46.073  3.1082  0.6121941      4.304374 
1 1 1 -16 -24 16 o 13.733  2.9837  24.301    13.688    3.7206    19.731    43.396    19.006    10.200  4.2795  17.267  4.1590  -7.066864      5.967465 
1 1 1 -16 -24 17 o 47.630  2.1870  312.849   27.733    298.891   38.613    327.721   39.856    46.518  3.1170  48.741  3.0686  -2.223274      4.374003 
1 1 1 -16 -24 18 o 54.065  2.1902  403.657   31.558    419.453   44.459    387.616   44.801    55.174  3.0199  52.955  3.1732  2.218678       4.380487 
1 1 1 -16 -24 19 o 39.904  2.2573  221.069   23.891    208.752   33.813    233.349   33.761    38.744  3.2893  41.063  3.0922  -2.318855      4.514588 
1 1 1 -16 -24 20 o 51.084  2.1961  360.885   29.904    356.595   42.235    365.199   42.347    50.770  3.1209  51.397  3.0904  -0.6267319     4.392154 
1 1 1 -16 -24 21 o 18.229  3.3062  48.947    16.219    55.043    23.899    43.742    22.084    19.263  4.6785  17.195  4.6729  2.067734       6.612442 
1 1 1 -16 -24 22 o 12.430  4.6378  18.089    20.725    0.0000    0.0000    18.089    20.725    ?       ?       12.430  4.6378  ?              ?        
1 1 1 -16 -24 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -24 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -24 25 o 45.560  2.2714  289.896   27.526    302.596   39.382    277.764   38.489    46.560  3.1768  44.560  3.2472  1.999958       4.542745 
1 1 1 -16 -24 26 o 29.557  2.5318  124.463   19.624    121.473   27.904    127.388   27.605    29.167  3.6518  29.947  3.5079  -0.7801971     5.063688 
1 1 1 -16 -24 27 o 21.045  3.2498  67.866    18.035    88.510    25.232    46.300    25.788    24.672  3.9515  17.417  5.1606  7.255024       6.499656 
1 1 1 -16 -24 28 o 37.979  2.4212  204.357   24.365    202.555   34.363    206.179   34.553    37.805  3.4309  38.152  3.4174  -0.3471184     4.842464 
1 1 1 -16 -24 29 o 17.101  3.0293  41.432    16.886    80.881    23.939    2.3676    23.822    23.508  3.9414  10.693  4.6014  12.81466       6.058689 
1 1 1 -16 -24 30 o 12.269  3.3519  15.471    16.008    26.010    23.274    6.0090    22.052    13.779  4.9511  10.759  4.5196  3.020501       6.703710 
1 1 1 -16 -24 31 o 25.260  3.0325  94.988    19.644    112.482   28.340    78.809    27.254    27.744  3.9232  22.777  4.6252  4.966925       6.064976 
1 1 1 -16 -24 32 o 39.244  2.4874  220.645   25.809    238.161   36.806    203.701   36.200    40.874  3.3926  37.613  3.6387  3.260296       4.974898 
1 1 1 -16 -24 33 o 19.943  3.4128  63.654    18.519    43.545    27.263    80.881    25.234    16.665  5.3708  23.221  4.2122  -6.555599      6.825584 
1 1 1 -16 -24 34 o 17.221  3.5274  45.727    18.097    65.931    26.281    27.508    24.956    20.481  4.8631  13.961  5.1107  6.520203       7.054719 
1 1 1 -16 -24 35 o 27.371  3.0826  114.224   21.760    111.405   31.863    116.689   29.788    26.875  4.5912  27.867  4.1146  -0.9911804     6.165130 
1 1 1 -16 -24 36 o 19.982  3.5094  64.659    19.453    89.810    28.100    41.512    26.957    23.976  4.5420  15.989  5.3509  7.986737       7.018702 
1 1 1 -16 -24 37 o 18.215  3.5265  55.848    19.042    78.016    26.342    31.586    27.558    22.105  4.5988  14.325  5.3474  7.779389       7.052920 
1 1 1 -16 -23 1  o 16.693  2.8706  39.104    13.053    58.616    19.925    24.433    17.277    20.160  3.8300  13.226  4.2770  6.933619       5.741192 
1 1 1 -16 -23 2  o 39.331  2.1034  213.858   21.992    211.865   31.272    215.809   30.933    39.136  3.0063  39.526  2.9429  -0.3905754     4.206897 
1 1 1 -16 -23 3  o 29.129  2.3002  119.268   17.469    107.100   25.387    130.212   24.075    27.596  3.5144  30.663  2.9685  -3.067225      4.600327 
1 1 1 -16 -23 4  o 30.970  2.2769  133.559   18.557    130.617   27.066    136.168   25.491    30.595  3.3580  31.344  3.0759  -0.7495117     4.553794 
1 1 1 -16 -23 5  o 25.162  2.5643  91.024    16.388    76.776    24.454    102.641   22.080    23.139  4.0955  27.185  3.0871  -4.046795      5.128640 
1 1 1 -16 -23 6  o 34.350  2.1805  163.491   19.768    155.666   28.757    170.500   27.218    33.507  3.2448  35.193  2.9136  -1.686001      4.360945 
1 1 1 -16 -23 7  o 14.284  3.0243  27.449    12.456    38.054    19.692    20.376    16.083    16.204  4.4164  12.364  4.1331  3.839947       6.048691 
1 1 1 -16 -23 8  o 77.797  2.2605  830.182   47.100    829.052   66.980    831.287   66.244    77.733  3.2170  77.861  3.1764  -0.1280441     4.520908 
1 1 1 -16 -23 9  o 45.270  2.1062  281.288   25.377    294.254   35.987    268.462   35.791    46.335  2.9145  44.205  3.0413  2.130566       4.212353 
1 1 1 -16 -23 10 o 34.398  2.2064  163.190   20.107    164.164   28.478    162.221   28.395    34.503  3.1151  34.293  3.1256  0.2094536      4.412870 
1 1 1 -16 -23 11 o 19.216  2.8583  52.831    14.390    74.328    21.094    34.120    19.680    22.995  3.5384  15.437  4.4898  7.557221       5.716530 
1 1 1 -16 -23 12 o 40.906  2.1085  229.892   22.914    236.818   31.975    222.581   32.855    41.573  2.8895  40.239  3.0715  1.334385       4.217035 
1 1 1 -16 -23 13 o 12.989  2.9635  22.638    12.265    12.433    18.145    31.225    16.644    11.212  4.3039  14.766  4.0751  -3.554683      5.927021 
1 1 1 -16 -23 14 o 9.0148  2.6672  -0.8747   11.644    -15.0722  17.325    10.822    15.725    7.5562  3.5180  10.474  4.0099  -2.917366      5.334421 
1 1 1 -16 -23 15 o 59.370  2.1317  481.943   33.813    458.561   47.228    506.533   48.433    57.837  3.0595  60.902  2.9690  -3.065437      4.263327 
1 1 1 -16 -23 16 o 14.240  3.2699  27.928    14.326    24.611    21.028    30.801    19.570    13.714  4.7241  14.765  4.5225  -1.051320      6.539876 
1 1 1 -16 -23 17 o 72.124  2.2327  713.159   43.100    732.531   60.431    693.103   61.489    73.159  3.0839  71.089  3.2293  2.069778       4.465309 
1 1 1 -16 -23 18 f 80.860  2.3053  897.526   49.910    864.208   70.130    931.719   71.045    79.315  3.3011  82.405  3.2187  -3.090805      4.610626 
1 1 1 -16 -23 19 o 62.592  2.1697  536.696   36.374    530.814   51.270    542.656   51.612    62.244  3.0752  62.941  3.0615  -0.6967850     4.339320 
1 1 1 -16 -23 20 o 46.458  2.1804  297.348   26.948    281.794   38.077    312.957   38.144    45.201  3.1650  47.714  2.9999  -2.513367      4.360786 
1 1 1 -16 -23 21 o 27.886  2.5253  109.190   18.417    108.823   26.462    109.535   25.649    27.816  3.6390  27.956  3.5022  -0.1402931     5.050523 
1 1 1 -16 -23 22 o 29.314  2.5341  121.805   19.185    102.233   27.424    140.563   26.847    26.818  3.9348  31.809  3.1943  -4.990425      5.068176 
1 1 1 -16 -23 23 o 86.613  2.3845  1037.66   55.313    1056.65   78.332    1018.78   78.118    87.425  3.3451  85.801  3.3992  1.624634       4.769084 
1 1 1 -16 -23 24 o 37.902  2.2635  200.262   22.680    188.482   32.739    211.132   31.449    36.750  3.3633  39.055  3.0301  -2.305573      4.526917 
1 1 1 -16 -23 25 o 27.858  2.5724  109.948   18.733    107.906   26.479    111.995   26.505    27.580  3.6760  28.136  3.5995  -0.5564709     5.144855 
1 1 1 -16 -23 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -23 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -23 28 o 18.825  3.3558  53.395    16.967    60.027    24.351    47.137    23.653    19.992  4.6374  17.658  4.8517  2.334166       6.711524 
1 1 1 -16 -23 29 o 31.723  2.4990  143.278   20.852    141.722   30.018    144.729   28.988    31.509  3.6227  31.938  3.4431  -0.4292526     4.997921 
1 1 1 -16 -23 30 o 15.684  3.2169  33.354    16.189    61.382    23.714    8.8914    22.154    20.190  4.5000  11.178  4.5983  9.012211       6.433882 
1 1 1 -16 -23 31 o 11.655  3.2284  12.152    15.387    -0.5733   22.262    23.793    21.293    10.053  4.3860  13.256  4.7386  -3.203280      6.456889 
1 1 1 -16 -23 32 o 52.196  2.2481  383.862   31.275    387.878   44.721    380.017   43.755    52.448  3.1987  51.943  3.1599  0.5044212      4.496284 
1 1 1 -16 -23 33 o 16.266  3.4811  40.817    17.141    26.740    25.186    52.963    23.396    13.995  5.1325  18.537  4.7043  -4.541487      6.962243 
1 1 1 -16 -23 34 o 18.951  3.5277  56.467    18.230    62.356    25.520    50.332    26.050    20.035  4.8153  17.867  5.1567  2.167513       7.055403 
1 1 1 -16 -23 35 o 15.381  3.5178  33.492    18.170    56.776    26.052    11.437    25.355    18.916  5.0480  11.845  4.9007  7.070402       7.035522 
1 1 1 -16 -23 36 o 20.136  3.4180  64.543    18.535    81.570    26.289    47.712    26.137    23.058  4.4173  17.214  5.2171  5.844442       6.836003 
1 1 1 -16 -23 37 o 18.638  3.5743  56.690    18.432    64.217    25.895    48.961    26.241    19.993  4.8786  17.282  5.2251  2.711308       7.148588 
1 1 1 -16 -23 38 o 13.468  3.5502  25.005    17.799    12.362    24.876    38.270    25.479    11.610  4.8328  15.326  5.2018  -3.716460      7.100339 
1 1 1 -16 -22 1  o 28.860  2.3643  117.792   17.510    93.226    24.976    141.535   24.554    25.681  3.7409  32.039  2.8924  -6.358122      4.728638 
1 1 1 -16 -22 2  o 42.108  2.0732  243.511   23.210    258.536   33.141    229.047   32.516    43.412  2.8663  40.805  2.9961  2.606819       4.146348 
1 1 1 -16 -22 3  o 16.429  2.8426  38.976    12.345    38.226    18.654    39.561    16.467    16.259  4.2397  16.598  3.7876  -0.3395157     5.685124 
1 1 1 -16 -22 4  o 47.162  2.0482  304.548   25.740    303.053   36.827    305.976   35.991    47.034  2.9380  47.291  2.8547  -0.2564011     4.096496 
1 1 1 -16 -22 5  o 38.970  2.0881  207.992   21.617    215.532   31.334    201.144   29.863    39.641  2.9727  38.300  2.9333  1.341160       4.176291 
1 1 1 -16 -22 6  o 41.634  2.0697  237.247   22.928    239.839   32.866    234.789   32.001    41.849  2.9509  41.419  2.9029  0.4301338      4.139433 
1 1 1 -16 -22 7  o 49.771  2.0845  338.730   27.634    356.993   39.161    320.617   38.999    51.138  2.8707  48.404  3.0232  2.734119       4.169003 
1 1 1 -16 -22 8  o 89.306  2.3741  1091.17   56.784    1109.80   80.729    1072.92   79.887    90.066  3.3464  88.545  3.3684  1.521439       4.748106 
1 1 1 -16 -22 9  o 20.588  2.5627  59.633    13.600    62.185    19.847    57.374    18.673    21.003  3.6611  20.174  3.5870  0.8286018      5.125466 
1 1 1 -16 -22 10 o 48.934  2.0483  326.916   26.709    338.408   37.657    315.281   37.889    49.822  2.8336  48.046  2.9586  1.776375       4.096611 
1 1 1 -16 -22 11 o 32.438  2.1938  144.704   18.769    158.295   26.773    131.569   26.319    33.984  2.9711  30.892  3.2284  3.091106       4.387534 
1 1 1 -16 -22 12 o 47.323  2.0545  306.400   25.829    331.042   36.312    281.165   36.746    49.304  2.7608  45.343  3.0432  3.960728       4.108907 
1 1 1 -16 -22 13 o 32.256  2.2500  144.619   18.856    171.189   26.567    117.648   26.767    35.389  2.8263  29.122  3.5017  6.267179       4.500023 
1 1 1 -16 -22 14 o 37.165  2.1352  189.173   21.068    185.847   29.532    192.621   30.066    36.830  3.0202  37.499  3.0190  -0.6696587     4.270356 
1 1 1 -16 -22 15 o 27.412  2.3731  104.149   17.058    104.777   23.989    103.506   24.261    27.505  3.3236  27.318  3.3884  0.1870804      4.746293 
1 1 1 -16 -22 16 o 41.344  2.1046  233.657   23.140    225.126   32.219    242.745   33.254    40.558  2.9868  42.130  2.9658  -1.571331      4.209211 
1 1 1 -16 -22 17 o 64.715  2.1127  570.342   36.619    561.718   51.369    579.251   52.214    64.218  2.9865  65.212  2.9893  -0.9934769     4.225499 
1 1 1 -16 -22 18 o 101.979 2.5341  1427.79   69.216    1406.90   97.456    1449.05   98.324    101.219 3.5946  102.740 3.5730  -1.520218      5.068288 
1 1 1 -16 -22 19 o 37.938  2.1766  197.773   21.891    210.795   31.076    184.945   30.843    39.215  2.9810  36.661  3.1723  2.554031       4.353119 
1 1 1 -16 -22 20 o 38.762  2.1434  206.277   22.072    201.406   31.095    211.223   31.337    38.290  3.0574  39.234  3.0048  -0.9440613     4.286771 
1 1 1 -16 -22 21 o 12.097  3.0814  15.411    13.211    27.265    19.723    5.7638    17.792    14.095  4.5709  10.100  4.1338  3.994859       6.162897 
1 1 1 -16 -22 22 o 61.350  2.1162  514.467   34.771    504.741   49.011    524.322   49.338    60.759  3.0116  61.942  2.9738  -1.183208      4.232387 
1 1 1 -16 -22 23 o 63.942  2.1392  559.709   36.599    594.055   52.178    526.443   51.351    65.905  2.9558  61.980  3.0932  3.925003       4.278409 
1 1 1 -16 -22 24 o 29.582  2.3581  121.899   18.353    123.350   26.317    120.526   25.609    29.746  3.3621  29.418  3.3073  0.3276787      4.716154 
1 1 1 -16 -22 25 o 11.080  3.0766  9.9496    13.739    1.2852    19.792    18.007    19.086    9.9063  4.2265  12.254  4.4719  -2.348137      6.153156 
1 1 1 -16 -22 26 o 37.836  2.2234  198.460   22.259    218.307   31.902    179.632   31.072    39.740  3.0197  35.931  3.2642  3.808113       4.446731 
1 1 1 -16 -22 27 o 23.781  2.7919  81.339    17.133    75.952    24.266    86.693    24.193    22.917  4.1041  24.645  3.7862  -1.728344      5.583759 
1 1 1 -16 -22 28 o 32.944  3.2859  152.014   28.608    0.0000    0.0000    152.014   28.608    ?       ?       32.944  3.2859  ?              ?        
1 1 1 -16 -22 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -22 30 o 12.076  3.2206  14.432    15.177    -0.2511   21.875    28.062    21.075    10.071  4.3711  14.081  4.7311  -4.010343      6.441282 
1 1 1 -16 -22 31 o 27.315  2.8537  110.352   19.671    83.018    27.966    137.122   27.676    23.537  4.6008  31.093  3.3774  -7.556103      5.707396 
1 1 1 -16 -22 32 o 36.914  2.3640  192.913   23.070    209.148   33.107    177.590   32.164    38.493  3.2413  35.336  3.4421  3.157127       4.728002 
1 1 1 -16 -22 33 o 21.046  3.2763  69.655    18.425    41.914    26.562    95.381    25.579    16.525  5.2988  25.567  3.8549  -9.041641      6.552660 
1 1 1 -16 -22 34 o 13.883  3.4866  26.338    16.664    35.665    23.532    16.956    23.602    15.364  4.9934  12.402  4.8675  2.961771       6.973287 
1 1 1 -16 -22 35 o 11.748  3.2567  13.910    15.405    22.657    21.059    3.8407    22.595    12.953  4.7018  10.543  4.5075  2.409604       6.513459 
1 1 1 -16 -22 36 o 14.971  3.4049  32.746    16.988    51.120    23.409    12.302    24.692    18.082  4.7660  11.861  4.8639  6.221189       6.809770 
1 1 1 -16 -22 37 o 14.717  3.5814  30.423    18.344    11.884    25.731    49.584    26.158    11.888  4.9291  17.545  5.1972  -5.657309      7.162856 
1 1 1 -16 -22 38 o 9.8804  3.1199  -4.7904   17.147    -15.0324  24.616    4.8636    23.899    9.0423  4.2045  10.718  4.6105  -1.676101      6.239730 
1 1 1 -16 -22 39 o 11.878  3.3112  12.397    16.929    -7.3024   23.938    32.106    23.944    9.4509  4.3024  14.306  5.0344  -4.855091      6.622383 
1 1 1 -16 -21 1  o 28.671  2.2034  113.563   16.632    119.653   23.715    107.667   23.333    29.454  3.0502  27.888  3.1805  1.565569       4.406754 
1 1 1 -16 -21 2  o 43.374  2.0391  258.668   23.342    221.474   33.086    295.523   32.935    40.170  3.0990  46.577  2.6509  -6.406906      4.078182 
1 1 1 -16 -21 3  o 47.004  2.0118  301.328   25.198    314.421   36.011    288.768   35.271    48.017  2.8122  45.990  2.8777  2.026844       4.023644 
1 1 1 -16 -21 4  f 59.997  2.0576  489.937   32.995    510.457   46.987    469.975   46.343    61.287  2.8623  58.707  2.9566  2.579384       4.115185 
1 1 1 -16 -21 5  o 59.890  2.0665  487.417   33.146    489.774   47.298    485.142   46.463    60.027  2.9418  59.754  2.9030  0.2729607      4.132980 
1 1 1 -16 -21 6  o 31.652  2.0856  137.467   17.432    127.455   24.714    147.380   24.590    30.464  3.0706  32.840  2.8230  -2.375507      4.171136 
1 1 1 -16 -21 7  o 43.247  2.0513  255.012   23.604    268.057   33.538    242.206   33.228    44.365  2.8372  42.130  2.9634  2.234791       4.102623 
1 1 1 -16 -21 8  o 69.534  2.1246  656.710   39.570    656.218   56.053    657.198   55.868    69.506  3.0108  69.562  2.9985  -0.5586243E-01 4.249239 
1 1 1 -16 -21 9  o 87.898  2.3118  1051.75   54.412    1084.85   77.268    1019.19   76.635    89.287  3.2309  86.510  3.3073  2.776855       4.623536 
1 1 1 -16 -21 10 o 50.937  2.0494  353.279   27.816    369.992   39.251    336.418   39.425    52.174  2.8192  49.701  2.9752  2.472569       4.098757 
1 1 1 -16 -21 11 o 46.492  2.0304  294.429   25.132    307.780   35.370    280.814   35.716    47.583  2.7874  45.401  2.9531  2.181408       4.060808 
1 1 1 -16 -21 12 o 61.056  2.0584  505.858   33.643    515.821   47.085    495.467   48.087    61.686  2.8498  60.425  2.9711  1.260925       4.116881 
1 1 1 -16 -21 13 o 47.753  2.0258  310.085   25.784    300.634   36.061    319.971   36.882    47.002  2.8783  48.503  2.8515  -1.500298      4.051584 
1 1 1 -16 -21 14 o 39.596  2.0319  213.494   21.382    201.148   29.816    226.567   30.681    38.401  2.9207  40.791  2.8255  -2.389961      4.063743 
1 1 1 -16 -21 15 f 27.480  2.3838  105.282   16.887    86.085    23.924    124.346   23.841    24.838  3.7099  30.122  2.9946  -5.284554      4.767680 
1 1 1 -16 -21 16 o 62.436  2.0720  528.899   34.645    521.148   48.424    537.026   49.586    61.971  2.9173  62.900  2.9432  -0.9296341     4.144057 
1 1 1 -16 -21 17 o 64.234  2.0966  560.103   36.031    524.286   50.400    597.543   51.530    62.115  3.0293  66.353  2.8994  -4.237965      4.193224 
1 1 1 -16 -21 18 o 34.070  2.1690  159.668   19.466    176.917   27.424    142.151   27.636    35.994  2.8683  32.146  3.2545  3.848408       4.338101 
1 1 1 -16 -21 19 o 37.393  2.0960  191.200   20.818    188.903   29.519    193.473   29.365    37.161  2.9910  37.625  2.9371  -0.4635277     4.191968 
1 1 1 -16 -21 20 o 42.272  2.0741  244.194   23.321    234.654   33.058    253.645   32.904    41.427  2.9995  43.117  2.8654  -1.689606      4.148254 
1 1 1 -16 -21 21 o 64.050  2.1020  560.056   35.873    613.330   50.829    507.183   50.637    67.180  2.8247  60.921  3.1137  6.259235       4.204052 
1 1 1 -16 -21 22 f 71.360  2.1554  694.333   41.195    690.175   58.423    698.445   58.095    71.140  3.0660  71.580  3.0301  -0.4398804     4.310713 
1 1 1 -16 -21 23 o 36.196  2.1277  179.979   20.423    177.270   29.352    182.522   28.435    35.908  3.0817  36.483  2.9346  -0.5750313     4.255451 
1 1 1 -16 -21 24 o 60.098  2.0910  493.805   33.582    477.991   47.671    509.384   47.314    59.081  3.0226  61.116  2.8903  -2.034988      4.182089 
1 1 1 -16 -21 25 o 34.126  2.2010  160.484   19.882    167.634   28.802    153.975   27.478    34.855  3.1180  33.398  3.1074  1.457691       4.402050 
1 1 1 -16 -21 26 o 24.687  2.6421  86.242    16.904    82.416    24.048    89.977    23.765    24.094  3.8564  25.279  3.6126  -1.185410      5.284207 
1 1 1 -16 -21 27 o 33.749  2.2706  158.474   20.212    151.453   29.286    164.860   27.929    32.971  3.3633  34.527  3.0514  -1.556290      4.541261 
1 1 1 -16 -21 28 o 15.830  3.0903  36.708    15.162    11.758    22.704    56.791    20.370    11.838  4.7328  19.822  3.9751  -7.983561      6.180662 
1 1 1 -16 -21 29 o 23.022  2.9115  76.933    17.259    71.481    24.728    82.112    24.101    22.121  4.3283  23.923  3.8953  -1.801308      5.822989 
1 1 1 -16 -21 30 o 21.439  4.4508  67.858    24.722    0.0000    0.0000    67.858    24.722    ?       ?       21.439  4.4508  ?              ?        
1 1 1 -16 -21 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -21 32 o 21.800  3.1958  71.121    18.040    70.307    25.908    71.888    25.135    21.632  4.6123  21.968  4.4247  -0.3355598     6.391551 
1 1 1 -16 -21 33 o 15.683  3.3668  36.524    16.027    23.165    22.816    49.538    22.519    13.319  4.8850  18.047  4.6344  -4.728526      6.733547 
1 1 1 -16 -21 34 o 27.710  2.8253  112.871   19.830    84.531    27.498    143.578   28.623    23.707  4.4949  31.713  3.4241  -8.005535      5.650545 
1 1 1 -16 -21 35 o 28.306  2.9023  118.285   21.164    100.644   29.544    136.878   30.332    25.904  4.4165  30.707  3.7668  -4.802830      5.804698 
1 1 1 -16 -21 36 o 40.320  2.4691  233.157   26.185    269.275   37.673    199.402   36.420    43.532  3.2545  37.108  3.7141  6.424385       4.938289 
1 1 1 -16 -21 37 o 9.8063  3.0224  0.2131    14.941    3.3046    20.149    -3.5634   22.270    9.9661  4.2586  9.6465  4.2900  0.3196001      6.044801 
1 1 1 -16 -21 38 o 14.794  3.5781  32.153    18.081    47.386    25.106    15.737    26.062    17.198  5.0910  12.390  5.0291  4.807845       7.156132 
1 1 1 -16 -21 39 o 7.8998  2.6525  -23.9984  15.543    -11.0200  21.335    -38.6763  22.689    8.6537  3.9851  7.1459  3.5017  1.507862       5.304936 
1 1 1 -16 -21 40 o 16.578  3.3139  39.569    19.011    0.4812    26.378    81.818    27.424    10.570  4.6863  22.585  4.6868  -12.01543      6.627794 
1 1 1 -16 -20 1  f 20.097  2.5150  56.961    12.947    69.275    18.619    45.432    18.016    22.333  3.2044  17.861  3.8771  4.471718       5.029955 
1 1 1 -16 -20 2  o 13.379  2.8160  24.484    10.869    29.908    16.236    20.080    14.632    14.532  4.0303  12.227  3.9340  2.304790       5.632051 
1 1 1 -16 -20 3  o 33.880  2.0598  157.247   18.451    145.790   26.339    168.288   25.855    32.624  3.0495  35.135  2.7698  -2.511341      4.119627 
1 1 1 -16 -20 4  o 50.696  2.0002  349.407   27.032    366.342   38.353    332.691   38.105    51.937  2.7670  49.456  2.8891  2.481125       4.000414 
1 1 1 -16 -20 5  o 32.511  2.1158  145.007   18.137    132.255   25.870    157.336   25.435    31.053  3.1541  33.970  2.8210  -2.917761      4.231553 
1 1 1 -16 -20 6  o 72.274  2.1372  708.237   41.366    727.018   58.935    690.002   58.074    73.224  3.0049  71.325  3.0398  1.898735       4.274372 
1 1 1 -16 -20 7  o 61.689  2.0524  515.477   33.908    506.042   47.939    524.922   47.967    61.118  2.9284  62.260  2.8763  -1.142208      4.104719 
1 1 1 -16 -20 8  o 32.342  2.1143  143.511   17.974    161.531   25.390    125.409   25.448    34.447  2.7754  30.237  3.1903  4.209230       4.228540 
1 1 1 -16 -20 9  f 27.413  2.2733  104.072   16.151    86.961    22.866    121.109   22.817    25.052  3.5035  29.774  2.8979  -4.721296      4.546659 
1 1 1 -16 -20 10 o 40.688  2.0033  225.082   21.691    229.602   30.632    220.536   30.721    41.107  2.7988  40.269  2.8669  0.8376122      4.006540 
1 1 1 -16 -20 11 o 39.322  2.0161  210.255   21.087    205.452   29.631    215.184   30.016    38.861  2.8670  39.783  2.8355  -0.9214783     4.032286 
1 1 1 -16 -20 12 o 55.665  2.0125  420.038   29.935    429.230   41.993    410.543   42.683    56.335  2.7830  54.996  2.9079  1.338772       4.025056 
1 1 1 -16 -20 13 o 68.698  2.0745  638.946   38.160    636.137   53.262    641.908   54.701    68.551  2.9008  68.844  2.9665  -0.2934113     4.149014 
1 1 1 -16 -20 14 o 79.130  2.2019  849.208   46.659    856.813   65.531    841.389   66.449    79.500  3.0775  78.759  3.1499  0.7415009      4.403712 
1 1 1 -16 -20 15 o 16.284  2.8569  37.701    12.388    37.005    18.099    38.314    16.991    16.139  4.1604  16.428  3.9166  -0.2889767     5.713898 
1 1 1 -16 -20 16 o 17.321  2.7763  42.427    12.607    48.822    18.260    36.601    17.428    18.592  3.7952  16.050  4.0531  2.541891       5.552579 
1 1 1 -16 -20 17 o 82.557  2.2335  925.099   49.385    914.834   69.363    935.652   70.328    82.094  3.1545  83.020  3.1627  -0.9259109     4.466928 
1 1 1 -16 -20 18 o 28.440  2.2462  112.040   16.608    95.155    23.673    128.407   23.306    26.222  3.4546  30.658  2.8716  -4.435591      4.492321 
1 1 1 -16 -20 19 o 55.616  2.0186  420.192   29.968    425.440   42.512    415.008   42.253    55.965  2.8454  55.267  2.8641  0.6972885      4.037231 
1 1 1 -16 -20 20 o 71.107  2.1170  686.294   40.320    688.713   57.074    683.882   56.968    71.232  2.9914  70.981  2.9964  0.2518692      4.234020 
1 1 1 -16 -20 21 o 30.355  2.2276  127.396   17.469    157.344   25.083    99.192    24.342    33.960  2.7820  26.750  3.4799  7.210758       4.455199 
1 1 1 -16 -20 22 o 15.147  3.0566  31.895    13.129    40.075    19.403    24.988    17.830    16.731  4.3049  13.563  4.3405  3.167077       6.113285 
1 1 1 -16 -20 23 o 41.974  2.0430  240.490   22.823    240.612   32.663    240.374   31.903    41.976  2.9234  41.973  2.8547  0.2178192E-02  4.086019 
1 1 1 -16 -20 24 o 60.093  2.0565  492.816   32.955    456.387   46.790    528.676   46.423    57.805  3.0326  62.381  2.7784  -4.575176      4.112906 
1 1 1 -16 -20 25 o 58.406  2.0572  465.233   32.091    492.195   45.679    438.956   45.095    60.140  2.8357  56.673  2.9812  3.466782       4.114475 
1 1 1 -16 -20 26 o 13.041  3.0653  21.848    13.400    7.7762    20.120    33.065    17.964    10.891  4.4194  15.191  4.2488  -4.300274      6.130502 
1 1 1 -16 -20 27 o 34.810  2.2056  167.163   20.315    168.199   29.600    166.240   27.932    34.885  3.2036  34.736  3.0326  0.1496658      4.411271 
1 1 1 -16 -20 28 o 28.501  2.4926  115.978   18.126    93.243    26.430    136.167   24.906    25.607  3.9828  31.395  2.9983  -5.787575      4.985231 
1 1 1 -16 -20 29 o 19.012  3.1299  52.389    16.124    75.602    23.594    32.048    22.086    22.969  3.9792  15.054  4.8323  7.915594       6.259766 
1 1 1 -16 -20 30 o 12.111  3.2192  15.831    14.454    8.5446    20.563    22.947    20.321    10.989  4.4647  13.232  4.6390  -2.243681      6.438480 
1 1 1 -16 -20 31 o 23.719  2.9049  81.487    17.617    100.948   25.583    63.935    24.296    26.635  3.6847  20.803  4.4918  5.831470       5.809738 
1 1 1 -16 -20 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -20 33 o 11.667  3.0489  8.1741    14.373    -11.9572  19.264    33.455    21.588    8.2601  3.7975  15.075  4.7710  -6.814414      6.097813 
1 1 1 -16 -20 34 o 31.760  2.6142  145.111   21.770    138.398   31.208    151.474   30.384    30.948  3.8479  32.571  3.5398  -1.622572      5.228403 
1 1 1 -16 -20 35 o 10.861  3.0070  0.7139    14.913    -24.2035  20.457    28.977    21.787    7.5600  3.6097  14.163  4.8101  -6.602664      6.013930 
1 1 1 -16 -20 36 o 46.848  2.3609  312.880   29.313    289.694   42.031    334.838   40.903    45.000  3.5150  48.695  3.1530  -3.694561      4.721900 
1 1 1 -16 -20 37 o 18.541  3.5415  54.173    18.010    56.499    24.708    51.535    26.308    19.032  4.8367  18.049  5.1744  0.9825954      7.082945 
1 1 1 -16 -20 38 o 38.479  2.5478  214.432   25.953    212.459   36.685    216.409   36.722    38.287  3.6202  38.671  3.5861  -0.3837738     5.095684 
1 1 1 -16 -20 39 o 18.884  3.6097  57.461    20.017    83.153    28.384    32.042    28.233    23.034  4.7581  14.734  5.4295  8.299973       7.219353 
1 1 1 -16 -20 40 o 46.737  2.5733  321.312   31.934    314.473   45.655    327.863   44.684    46.149  3.7252  47.325  3.5510  -1.175213      5.146558 
1 1 1 -16 -20 41 o 20.184  3.7350  69.687    20.668    80.406    28.710    58.158    29.777    22.093  4.9719  18.276  5.5751  3.816483       7.470013 
1 1 1 -16 -19 1  o 98.205  2.4379  1313.30   64.125    1328.22   91.187    1298.70   90.193    98.757  3.4473  97.653  3.4482  1.104095       4.875855 
1 1 1 -16 -19 2  o 74.619  2.1353  754.922   42.673    752.549   60.688    757.244   60.016    74.497  3.0414  74.742  2.9979  -0.2451706     4.270536 
1 1 1 -16 -19 3  o 54.135  1.9811  397.537   28.625    393.643   40.611    401.383   40.353    53.865  2.8246  54.405  2.7785  -0.5394745     3.962103 
1 1 1 -16 -19 4  f 24.673  2.2439  83.907    14.310    99.783    20.683    69.330    19.819    27.003  2.9054  22.344  3.4204  4.658789       4.487867 
1 1 1 -16 -19 5  o 70.528  2.1054  673.346   39.772    672.335   56.431    674.345   56.064    70.473  2.9895  70.584  2.9654  -0.1113586     4.210835 
1 1 1 -16 -19 6  o 55.091  2.8543  411.445   41.973    411.445   41.973    0.0000    0.0000    55.091  2.8543  ?       ?       ?              ?        
1 1 1 -16 -19 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 15 f 39.765  3.7418  216.978   39.385    216.978   39.385    0.0000    0.0000    39.765  3.7418  ?       ?       ?              ?        
1 1 1 -16 -19 16 o 41.219  3.0022  246.782   27.214    258.752   31.477    211.350   54.157    43.687  2.7033  38.750  5.3614  4.936993       6.004414 
1 1 1 -16 -19 17 o 42.122  1.9464  240.892   21.785    220.500   30.579    261.907   31.043    40.283  2.8526  43.960  2.6488  -3.677765      3.892731 
1 1 1 -16 -19 18 o 50.248  1.9749  342.449   26.463    355.639   37.549    329.434   37.300    51.223  2.7468  49.274  2.8382  1.949100       3.949746 
1 1 1 -16 -19 19 o 51.062  1.9694  353.700   26.829    348.527   38.090    358.793   37.795    50.683  2.8169  51.441  2.7531  -0.7582550     3.938850 
1 1 1 -16 -19 20 o 31.736  2.0715  137.613   17.395    134.916   24.929    140.172   24.285    31.416  2.9989  32.057  2.8584  -0.6406841     4.142916 
1 1 1 -16 -19 21 o 30.630  2.1774  128.407   17.532    144.899   25.277    113.120   24.336    32.574  2.9284  28.686  3.2231  3.888229       4.354769 
1 1 1 -16 -19 22 o 46.645  1.9876  295.759   24.713    289.337   34.912    302.209   34.988    46.128  2.8394  47.161  2.7821  -1.032413      3.975248 
1 1 1 -16 -19 23 o 60.169  2.0197  490.778   32.545    501.787   46.377    480.097   45.682    60.836  2.8461  59.502  2.8663  1.334534       4.039350 
1 1 1 -16 -19 24 o 91.364  2.3643  1138.13   57.856    1153.61   82.141    1122.89   81.506    91.985  3.3339  90.742  3.3534  1.242195       4.728681 
1 1 1 -16 -19 25 o 38.876  2.1048  206.099   21.715    221.742   31.611    192.122   29.882    40.284  2.9502  37.468  3.0028  2.815620       4.209566 
1 1 1 -16 -19 26 o 84.938  2.2769  985.038   51.792    982.341   73.853    987.647   72.652    84.808  3.2512  85.068  3.1885  -0.2602921     4.553784 
1 1 1 -16 -19 27 o 36.185  2.1301  179.693   20.426    180.881   29.750    178.634   28.095    36.275  3.0914  36.094  2.9314  0.1808472      4.260260 
1 1 1 -16 -19 28 o 15.868  3.2533  36.095    14.617    37.441    21.270    34.891    20.121    16.132  4.6607  15.604  4.5403  0.5275002      6.506653 
1 1 1 -16 -19 29 o 31.112  2.3335  134.256   19.088    148.019   27.529    121.512   26.490    32.699  3.1835  29.525  3.4126  3.174334       4.666969 
1 1 1 -16 -19 30 o 21.015  3.0021  64.486    16.460    95.250    23.965    37.016    22.646    26.023  3.5294  16.007  4.8573  10.01605       6.004143 
1 1 1 -16 -19 31 o 27.234  2.6069  104.749   18.506    111.152   26.871    98.971    25.524    28.045  3.6648  26.423  3.7086  1.621349       5.213879 
1 1 1 -16 -19 32 o 15.028  3.3786  32.393    15.344    36.176    21.866    28.722    21.536    15.723  4.7733  14.332  4.7828  1.390223       6.757144 
1 1 1 -16 -19 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -19 34 o 33.627  2.5548  161.191   22.548    145.036   31.646    177.850   32.136    31.799  3.7901  35.455  3.4267  -3.655745      5.109513 
1 1 1 -16 -19 35 o 17.663  3.1863  45.199    17.088    79.358    24.861    14.608    23.526    23.180  4.1569  12.146  4.8300  11.03343       6.372534 
1 1 1 -16 -19 36 o 35.618  2.5103  181.739   23.628    183.318   33.313    180.141   33.517    35.794  3.5202  35.442  3.5798  0.3522377      5.020646 
1 1 1 -16 -19 37 o 28.533  3.0102  122.458   21.723    151.736   30.737    93.238    30.706    32.431  3.5991  24.635  4.8261  7.795460       6.020410 
1 1 1 -16 -19 38 o 18.683  3.7089  56.032    19.776    68.400    27.327    42.435    28.654    20.886  4.9589  16.481  5.5168  4.404877       7.417885 
1 1 1 -16 -19 39 o 22.955  3.4341  82.630    20.530    64.972    28.613    101.363   29.472    20.085  5.2573  25.826  4.4195  -5.740492      6.868107 
1 1 1 -16 -19 40 o 21.637  3.6824  75.860    21.171    65.394    29.399    87.134    30.514    19.923  5.3821  23.351  5.0273  -3.428299      7.364853 
1 1 1 -16 -19 41 o 13.093  3.3008  17.179    18.566    47.957    24.285    -26.1061  28.800    17.107  4.9911  9.0796  4.3208  8.027005       6.601508 
1 1 1 -16 -19 42 o 14.645  3.8208  33.667    20.110    23.097    27.646    45.545    29.306    13.072  5.2237  16.218  5.5774  -3.146265      7.641639 
1 1 1 -16 -18 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -18 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -18 3  o 65.105  2.8853  572.968   50.314    0.0000    0.0000    572.968   50.314    ?       ?       65.105  2.8853  ?              ?        
1 1 1 -16 -18 4  o 69.956  2.0890  661.614   39.142    664.505   55.550    658.763   55.163    70.107  2.9583  69.805  2.9504  0.3017731      4.178029 
1 1 1 -16 -18 5  o 29.467  2.0521  118.955   15.743    143.058   22.574    96.137    21.965    32.463  2.6185  26.471  3.1604  5.991346       4.104208 
1 1 1 -16 -18 6  o 14.763  2.5909  31.360    10.627    18.163    15.531    42.980    14.574    11.974  4.0612  17.553  3.2183  -5.579436      5.181797 
1 1 1 -16 -18 7  o 55.443  1.9750  415.831   29.238    437.484   41.272    394.016   41.426    56.945  2.7059  53.942  2.8776  3.003548       3.950015 
1 1 1 -16 -18 8  o 32.306  2.0297  142.297   17.310    128.566   24.454    156.085   24.505    30.703  3.0124  33.908  2.7210  -3.205530      4.059406 
1 1 1 -16 -18 9  o 34.864  2.0685  166.331   18.721    127.273   26.022    208.232   26.953    30.507  3.2340  39.221  2.5800  -8.714754      4.137044 
1 1 1 -16 -18 10 o 78.980  2.1368  842.732   45.201    832.366   63.700    853.244   64.149    78.489  3.0300  79.471  3.0136  -0.9820099     4.273503 
1 1 1 -16 -18 11 o 27.569  2.1065  103.707   15.299    100.203   21.210    107.508   22.088    27.080  2.9731  28.059  2.9849  -0.9786129     4.212937 
1 1 1 -16 -18 12 o 88.661  2.2556  1063.29   53.555    1080.91   75.449    1045.40   76.030    89.412  3.1504  87.910  3.2289  1.501701       4.511249 
1 1 1 -16 -18 13 o 41.554  1.9471  234.228   21.521    242.083   30.048    225.955   30.838    42.288  2.6665  40.819  2.8382  1.468395       3.894253 
1 1 1 -16 -18 14 o 61.657  1.9728  512.713   32.547    480.914   45.452    546.175   46.626    59.687  2.8431  63.626  2.7359  -3.939686      3.945661 
1 1 1 -16 -18 15 o 58.117  1.9546  455.986   30.335    424.648   42.290    489.202   43.538    56.015  2.8278  60.218  2.6993  -4.203030      3.909284 
1 1 1 -16 -18 16 o 58.111  1.9552  455.579   30.409    431.428   42.521    480.861   43.505    56.528  2.8083  59.694  2.7210  -3.165421      3.910299 
1 1 1 -16 -18 17 f 73.271  2.5345  707.119   46.920    799.326   82.909    663.674   56.910    76.487  4.0615  70.055  3.0329  6.432159       5.068943 
1 1 1 -16 -18 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -18 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -18 20 o 38.180  2.8691  198.198   29.127    198.198   29.127    0.0000    0.0000    38.180  2.8691  ?       ?       ?              ?        
1 1 1 -16 -18 21 o 51.402  1.9768  358.233   27.111    360.654   38.722    355.905   37.970    51.569  2.8140  51.236  2.7772  0.3333168      3.953656 
1 1 1 -16 -18 22 o 46.516  1.9360  293.501   24.011    298.934   34.186    288.213   33.733    46.943  2.7306  46.088  2.7450  0.8553963      3.871909 
1 1 1 -16 -18 23 o 10.290  2.7204  6.8561    11.034    21.237    16.216    -5.5442   15.058    12.669  4.1465  7.9114  3.5225  4.757186       5.440709 
1 1 1 -16 -18 24 o 53.203  1.9999  384.924   28.359    372.156   40.686    396.989   39.549    52.318  2.9149  54.087  2.7388  -1.769257      3.999751 
1 1 1 -16 -18 25 o 58.907  2.0147  470.299   31.781    480.961   45.533    460.171   44.381    59.556  2.8544  58.258  2.8442  1.298836       4.029465 
1 1 1 -16 -18 26 o 19.697  2.8766  55.286    14.665    53.504    21.125    56.943    20.374    19.356  4.1959  20.039  3.9362  -0.6839218     5.753192 
1 1 1 -16 -18 27 o 51.171  2.0487  357.302   27.941    347.822   39.970    366.362   39.075    50.482  2.9691  51.860  2.8237  -1.378231      4.097412 
1 1 1 -16 -18 28 o 36.680  2.1527  184.626   20.794    214.322   29.992    157.141   28.854    39.594  2.8471  33.767  3.2296  5.827072       4.305406 
1 1 1 -16 -18 29 o 78.935  2.2056  851.958   46.632    851.576   66.136    852.336   65.762    78.912  3.1290  78.958  3.1095  -0.4535675E-01 4.411274 
1 1 1 -16 -18 30 o 27.824  2.5631  109.759   18.335    91.637    26.345    126.784   25.534    25.404  4.0044  30.244  3.2006  -4.840393      5.126299 
1 1 1 -16 -18 31 o 30.388  2.4280  129.090   19.395    124.581   27.643    133.461   27.219    29.824  3.5288  30.951  3.3360  -1.126898      4.856064 
1 1 1 -16 -18 32 o 19.222  3.1429  54.284    15.865    51.811    22.495    56.731    22.379    18.756  4.5289  19.688  4.3590  -0.9313393     6.285802 
1 1 1 -16 -18 33 o 43.617  2.2896  265.318   26.488    285.283   37.413    245.255   37.506    45.342  3.0991  41.892  3.3711  3.450153       4.579173 
1 1 1 -16 -18 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -18 35 o 13.701  3.4162  25.061    15.600    20.282    20.984    30.967    23.327    12.702  4.6807  14.700  4.9773  -1.998569      6.832464 
1 1 1 -16 -18 36 o 20.487  3.3573  65.205    18.257    78.866    25.075    49.790    26.634    23.063  4.2144  17.911  5.2272  5.151705       6.714547 
1 1 1 -16 -18 37 o 27.384  3.1041  113.357   21.606    90.886    30.989    134.612   30.139    24.304  4.9290  30.464  3.7744  -6.160133      6.208154 
1 1 1 -16 -18 38 o 14.954  3.7175  32.434    18.506    26.952    25.264    38.782    27.185    13.989  5.1389  15.920  5.3733  -1.930392      7.435070 
1 1 1 -16 -18 39 o 38.322  2.7412  214.897   27.517    245.709   39.398    185.553   38.448    41.241  3.6027  35.402  4.1325  5.839088       5.482432 
1 1 1 -16 -18 40 o 21.610  3.8092  75.967    22.002    81.417    31.319    70.656    30.917    22.458  5.2932  20.763  5.4794  1.695360       7.618492 
1 1 1 -16 -18 41 o 27.481  3.5555  126.876   24.607    183.048   34.358    67.715    35.260    35.234  3.6957  19.729  6.0752  15.50515       7.110983 
1 1 1 -16 -18 42 o 14.921  3.8468  35.620    20.172    41.049    27.038    28.805    30.294    15.736  5.3585  14.105  5.5207  1.630919       7.693590 
1 1 1 -16 -17 1  o 60.633  2.0007  496.900   32.464    475.912   46.101    517.544   45.723    59.349  2.9001  61.917  2.7570  -2.567680      4.001433 
1 1 1 -16 -17 2  o 13.118  2.5594  23.963    9.5717    16.065    13.663    31.577    13.414    11.262  3.8092  14.974  3.4195  -3.711833      5.118873 
1 1 1 -16 -17 3  o 18.198  2.4483  46.369    11.486    45.022    16.581    47.612    15.926    17.917  3.5804  18.480  3.3403  -0.5637646     4.896653 
1 1 1 -16 -17 4  o 33.036  1.9790  148.496   17.296    136.272   24.450    160.740   24.470    31.643  2.9176  34.429  2.6745  -2.785643      3.957993 
1 1 1 -16 -17 5  f 35.649  1.9547  172.341   18.517    174.376   26.343    170.354   26.035    35.858  2.7641  35.440  2.7645  0.4181938      3.909302 
1 1 1 -16 -17 6  o 109.630 2.5506  1627.62   74.852    1702.24   106.423   1554.56   105.300   112.138 3.5432  107.121 3.6700  5.016571       5.101250 
1 1 1 -16 -17 7  f 39.047  1.9547  206.536   20.307    208.669   28.511    204.341   28.929    39.258  2.7284  38.836  2.7998  0.4224548      3.909376 
1 1 1 -16 -17 8  f 29.507  2.0712  118.923   16.073    130.653   22.659    107.044   22.803    31.018  2.7560  27.996  3.0926  3.021914       4.142445 
1 1 1 -16 -17 9  o 70.703  2.0531  673.893   38.874    655.222   54.624    693.053   55.334    69.707  2.9256  71.699  2.8813  -1.991478      4.106256 
1 1 1 -16 -17 10 o 60.975  1.9505  500.785   31.850    492.244   44.543    509.722   45.560    60.445  2.7513  61.506  2.7655  -1.061844      3.900966 
1 1 1 -16 -17 11 o 85.354  2.1953  983.769   50.156    1013.79   70.478    952.962   71.394    86.689  3.0353  84.020  3.1724  2.669174       4.390610 
1 1 1 -16 -17 12 o 59.772  1.9526  482.085   31.213    505.664   43.769    457.686   44.524    61.273  2.6669  58.270  2.8527  3.003040       3.905140 
1 1 1 -16 -17 13 o 60.121  1.9502  486.938   31.396    482.602   43.787    491.526   45.040    59.849  2.7315  60.393  2.7843  -0.5437202     3.900434 
1 1 1 -16 -17 14 o 37.014  1.9248  185.965   18.905    194.079   26.288    177.273   27.208    37.874  2.6073  36.154  2.8323  1.719284       3.849661 
1 1 1 -16 -17 15 o 23.239  2.2499  74.282    13.634    75.183    19.169    73.360    19.394    23.393  3.1386  23.086  3.2244  0.3068275      4.499725 
1 1 1 -16 -17 16 o 78.652  2.1294  835.053   44.858    835.206   63.178    834.899   63.702    78.662  2.9986  78.642  3.0242  0.1971436E-01  4.258773 
1 1 1 -16 -17 17 f 82.302  2.1811  915.008   48.081    916.149   67.914    913.862   68.081    82.355  3.0788  82.249  3.0903  0.1055069      4.362243 
1 1 1 -16 -17 18 f 19.719  2.5226  56.456    12.539    36.649    18.167    74.479    17.329    16.111  4.1756  23.326  2.8317  -7.215176      5.045162 
1 1 1 -16 -17 19 o 50.432  1.9155  344.125   25.775    337.767   36.512    350.442   36.391    49.960  2.7389  50.903  2.6785  -0.9427795     3.830948 
1 1 1 -16 -17 20 o 11.394  2.3857  12.609    10.411    -14.8108  15.615    34.548    13.968    7.1192  3.3231  15.668  3.4239  -8.548734      4.771382 
1 1 1 -16 -17 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -17 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -17 23 f 30.209  2.1523  124.756   17.149    125.719   25.005    123.901   23.565    30.303  3.1256  30.115  2.9597  0.1879673      4.304521 
1 1 1 -16 -17 24 o 43.660  1.9366  258.102   22.501    276.534   32.708    241.541   31.004    45.146  2.7175  42.173  2.7599  2.972481       3.873255 
1 1 1 -16 -17 25 o 15.359  2.8154  33.611    12.446    16.838    17.966    49.085    17.257    12.036  4.3469  18.682  3.5790  -6.645367      5.630717 
1 1 1 -16 -17 26 o 56.892  2.0431  440.005   31.026    419.155   44.266    460.138   43.498    55.502  2.9887  58.282  2.7864  -2.780384      4.086118 
1 1 1 -16 -17 27 o 25.962  2.4532  94.565    16.387    80.420    23.665    107.596   22.714    23.952  3.8168  27.971  3.0830  -4.019220      4.906359 
1 1 1 -16 -17 28 o 66.643  2.1192  604.047   37.822    620.365   53.754    588.047   53.226    67.543  2.9713  65.743  3.0226  1.800194       4.238472 
1 1 1 -16 -17 29 o 66.941  2.1410  610.694   38.386    608.120   54.500    613.228   54.073    66.794  3.0463  67.088  3.0092  -0.2941208     4.281944 
1 1 1 -16 -17 30 o 30.898  2.3421  132.340   19.050    125.188   26.993    139.437   26.890    30.025  3.4173  31.772  3.2036  -1.747318      4.684114 
1 1 1 -16 -17 31 o 17.628  3.0727  45.219    14.901    61.913    21.142    28.740    21.005    20.811  3.9369  14.444  4.7188  6.367654       6.145493 
1 1 1 -16 -17 32 o 65.745  2.2261  594.184   39.198    585.358   55.488    602.976   55.380    65.243  3.1752  66.247  3.1210  -1.003830      4.452271 
1 1 1 -16 -17 33 o 10.080  2.8346  0.7257    13.524    20.673    17.906    -25.7642  20.634    12.564  4.3575  7.5967  3.6267  4.966865       5.669240 
1 1 1 -16 -17 34 o 33.403  2.5272  157.961   22.087    138.791   31.278    177.027   31.193    31.237  3.8178  35.569  3.3123  -4.331362      5.054369 
1 1 1 -16 -17 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -17 36 o 19.057  3.4581  55.084    17.837    45.816    24.427    65.670    26.107    17.325  4.9916  20.790  4.7873  -3.464821      6.916238 
1 1 1 -16 -17 37 o 8.3491  2.7006  -11.4375  13.824    -2.3104   17.706    -25.6914  22.127    8.8207  3.8782  7.8774  3.7593  0.9433289      5.401158 
1 1 1 -16 -17 38 o 45.108  2.6050  292.745   30.875    344.633   44.579    244.909   42.803    49.196  3.4040  41.021  3.9443  8.175549       5.210014 
1 1 1 -16 -17 39 o 10.169  3.1277  0.6833    15.861    -1.4159   21.581    3.1491    23.389    9.7435  4.2828  10.595  4.5592  -0.8513374     6.255328 
1 1 1 -16 -17 40 o 12.705  3.5810  17.907    18.204    18.676    23.967    16.859    27.988    12.582  4.9142  12.829  5.2102  -0.2478228     7.162082 
1 1 1 -16 -17 41 o 16.713  3.8672  44.236    21.575    65.063    29.666    20.854    31.433    19.872  5.4225  13.555  5.5151  6.317188       7.734332 
1 1 1 -16 -17 42 o 15.371  3.6630  33.213    20.102    6.2020    27.787    62.873    29.117    11.412  4.9398  19.331  5.4101  -7.919273      7.326090 
1 1 1 -16 -17 43 o 24.291  3.5206  102.898   24.607    32.671    34.466    175.917   35.144    14.631  5.8373  33.952  3.9377  -19.32087      7.041252 
1 1 1 -16 -16 1  o 61.843  1.9710  515.810   32.640    503.905   46.230    527.644   46.090    61.125  2.8237  62.560  2.7506  -1.434418      3.941920 
1 1 1 -16 -16 2  o 75.644  2.1039  772.142   42.616    754.201   60.396    789.933   60.141    74.761  3.0161  76.527  2.9340  -1.765945      4.207734 
1 1 1 -16 -16 3  o 47.518  1.9086  305.142   24.183    294.978   34.134    315.385   34.266    46.715  2.7399  48.322  2.6577  -1.606853      3.817125 
1 1 1 -16 -16 4  f 53.499  1.9320  386.044   27.626    375.895   39.100    396.160   39.038    52.755  2.7769  54.242  2.6870  -1.486938      3.864047 
1 1 1 -16 -16 5  o 97.196  2.3536  1275.15   61.271    1278.66   87.014    1271.69   86.290    97.326  3.3379  97.065  3.3190  0.2610931      4.707160 
1 1 1 -16 -16 6  o 82.045  2.1659  907.359   47.592    892.186   67.327    922.513   67.284    81.355  3.0897  82.735  3.0362  -1.380371      4.331867 
1 1 1 -16 -16 7  o 59.896  1.9511  482.990   31.295    491.097   44.087    474.757   44.431    60.407  2.7248  59.386  2.7933  1.020893       3.902175 
1 1 1 -16 -16 8  o 41.358  1.8998  231.198   20.920    235.354   29.312    226.883   29.867    41.745  2.6350  40.970  2.7374  0.7751617      3.799577 
1 1 1 -16 -16 9  o 63.946  1.9745  550.557   33.805    559.492   47.381    541.294   48.245    64.480  2.7434  63.412  2.8405  1.068272       3.948983 
1 1 1 -16 -16 10 o 80.298  2.1098  868.370   45.372    868.591   63.774    868.143   64.565    80.311  2.9647  80.284  3.0025  0.2641296E-01  4.219525 
1 1 1 -16 -16 11 o 36.463  1.9024  180.400   18.384    190.318   25.488    169.645   26.541    37.534  2.5504  35.391  2.8234  2.143524       3.804719 
1 1 1 -16 -16 12 o 24.922  2.1016  84.723    13.645    72.613    18.872    97.987    19.751    23.003  3.1454  26.840  2.7881  -3.836918      4.203203 
1 1 1 -16 -16 13 o 40.584  1.8576  222.244   20.071    215.939   27.761    229.148   29.051    39.982  2.6065  41.187  2.6474  -1.204338      3.715220 
1 1 1 -16 -16 14 o 73.457  2.0390  726.984   40.100    741.287   56.245    712.197   57.187    74.200  2.8300  72.714  2.9362  1.485275       4.078032 
1 1 1 -16 -16 15 o 28.053  2.0511  108.283   14.894    130.106   21.052    86.411    21.075    30.994  2.5587  25.113  3.2064  5.881454       4.102205 
1 1 1 -16 -16 16 o 33.294  1.9608  150.399   17.310    144.064   24.561    156.652   24.400    32.581  2.8429  34.006  2.7011  -1.424801      3.921514 
1 1 1 -16 -16 17 o 78.828  2.1024  837.707   44.387    849.513   63.030    826.092   62.518    79.380  2.9645  78.275  2.9819  1.104973       4.204724 
1 1 1 -16 -16 18 o 50.148  1.8806  339.778   25.159    332.062   35.811    347.297   35.353    49.576  2.7071  50.719  2.6112  -1.142876      3.761246 
1 1 1 -16 -16 19 o 68.632  2.0054  635.020   36.836    670.383   52.555    600.871   51.645    70.519  2.7824  66.746  2.8888  3.773117       4.010855 
1 1 1 -16 -16 20 o 13.677  2.7928  25.754    11.386    14.085    16.614    36.087    15.634    11.353  4.1678  16.001  3.7188  -4.647952      5.585674 
1 1 1 -16 -16 21 o 51.739  1.9024  361.824   26.265    367.853   37.738    356.161   36.577    52.154  2.7108  51.324  2.6699  0.8302650      3.804860 
1 1 1 -16 -16 22 f 50.090  1.9412  340.359   25.882    324.854   37.315    354.733   35.929    48.962  2.8578  51.217  2.6279  -2.254456      3.882352 
1 1 1 -16 -16 23 o 13.178  4.6792  20.813    20.729    0.0000    0.0000    20.813    20.729    ?       ?       13.178  4.6792  ?              ?        
1 1 1 -16 -16 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -16 25 o 41.783  2.0223  238.161   22.404    219.321   32.148    255.952   31.240    40.130  3.0129  43.437  2.6985  -3.306881      4.044692 
1 1 1 -16 -16 26 o 40.477  2.0137  222.888   21.689    221.943   30.921    223.803   30.430    40.386  2.8773  40.568  2.8179  -0.1824951     4.027340 
1 1 1 -16 -16 27 o 21.825  2.8216  71.279    15.447    40.137    22.528    98.913    21.220    16.810  4.7778  26.841  3.0031  -10.03147      5.643265 
1 1 1 -16 -16 28 o 25.256  2.4570  88.590    16.178    87.672    22.987    89.491    22.771    25.114  3.5135  25.398  3.4355  -0.2834969     4.913987 
1 1 1 -16 -16 29 o 14.210  3.1913  27.621    13.679    24.998    19.229    30.308    19.462    13.682  4.5171  14.738  4.5094  -1.055801      6.382667 
1 1 1 -16 -16 30 o 43.926  2.1042  263.551   24.592    273.360   35.658    254.653   33.960    44.702  2.9954  43.150  2.9561  1.551304       4.208470 
1 1 1 -16 -16 31 o 50.863  2.1474  354.681   29.099    347.752   41.688    361.266   40.638    50.350  3.1063  51.376  2.9657  -1.025688      4.294744 
1 1 1 -16 -16 32 o 26.299  2.8072  100.429   18.546    73.981    26.706    125.068   25.776    22.582  4.5721  30.016  3.2585  -7.433939      5.614428 
1 1 1 -16 -16 33 o 64.767  2.2558  577.284   39.130    579.721   55.661    574.902   55.022    64.896  3.2022  64.638  3.1780  0.2571640      4.511511 
1 1 1 -16 -16 34 o 23.758  3.0758  82.114    18.818    81.039    27.402    83.074    25.888    23.542  4.5099  23.974  4.1837  -0.4325714     6.151618 
1 1 1 -16 -16 35 o 15.538  3.5065  35.279    16.530    38.989    21.933    30.400    25.149    16.226  4.7458  14.850  5.1633  1.376422       7.013039 
1 1 1 -16 -16 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -16 37 o 35.005  2.6584  176.730   24.099    212.593   34.500    142.559   33.677    38.756  3.3566  31.255  4.1234  7.501089       5.316853 
1 1 1 -16 -16 38 o 19.085  3.5661  56.550    19.112    38.537    26.684    75.526    27.387    15.951  5.3238  22.218  4.7462  -6.267184      7.132237 
1 1 1 -16 -16 39 o 27.532  3.2287  115.341   22.741    134.755   32.129    95.850    32.192    30.226  4.0722  24.839  5.0114  5.386141       6.457345 
1 1 1 -16 -16 40 o 32.680  2.9799  158.501   25.369    141.809   34.975    177.034   36.853    30.729  4.3728  34.632  4.0494  -3.902960      5.959766 
1 1 1 -16 -16 41 o 18.523  3.9517  56.044    21.291    48.896    29.162    64.204    31.157    17.345  5.5511  19.701  5.6256  -2.356812      7.903313 
1 1 1 -16 -16 42 o 7.9151  2.6882  -29.2423  16.808    -17.3806  21.792    -46.6624  26.409    8.2507  3.8751  7.5795  3.7270  0.6711912      5.376485 
1 1 1 -16 -16 43 o 11.924  3.2970  14.885    13.733    29.195    26.915    9.8490    15.968    13.948  5.2686  9.8998  3.9651  4.048676       6.593948 
1 1 1 -16 -15 1  o 75.973  2.0996  777.929   42.720    766.585   60.631    789.112   60.200    75.418  3.0015  76.528  2.9369  -1.110382      4.199294 
1 1 1 -16 -15 2  o 34.897  1.9026  165.563   17.462    193.442   24.886    138.522   24.510    37.850  2.4682  31.944  2.8960  5.905985       3.805151 
1 1 1 -16 -15 3  o 79.964  2.1220  861.335   45.437    842.236   64.492    880.159   64.025    79.077  3.0449  80.851  2.9565  -1.773811      4.244048 
1 1 1 -16 -15 4  o 63.866  1.9630  548.772   33.575    538.351   47.520    559.160   47.444    63.257  2.8047  64.474  2.7473  -1.216938      3.926048 
1 1 1 -16 -15 5  o 106.957 2.4778  1542.45   70.980    1566.34   100.767   1518.92   99.999    107.782 3.4905  106.132 3.5177  1.649551       4.955545 
1 1 1 -16 -15 6  o 70.541  2.0550  669.737   38.807    693.595   54.767    645.680   54.995    71.810  2.8474  69.273  2.9640  2.537270       4.110085 
1 1 1 -16 -15 7  o 25.538  2.1449  88.973    14.381    88.925    20.088    89.023    20.597    25.537  2.9936  25.539  3.0727  -0.2073288E-02 4.289896 
1 1 1 -16 -15 8  o 43.223  1.8730  251.909   21.567    248.813   29.931    255.253   31.104    42.950  2.6142  43.496  2.6829  -0.5461159     3.745949 
1 1 1 -16 -15 9  o 51.776  1.8822  361.660   25.985    380.518   36.216    341.653   37.304    53.218  2.5407  50.335  2.7777  2.882534       3.764398 
1 1 1 -16 -15 10 o 5.6675  1.8979  -13.1840  7.4901    -9.7533   11.701    -15.5657  9.7494    6.3358  2.9295  4.9992  2.4136  1.336514       3.795711 
1 1 1 -16 -15 11 o 18.266  2.4453  46.838    11.462    35.489    16.115    58.457    16.305    15.905  3.8289  20.626  3.0427  -4.721332      4.890646 
1 1 1 -16 -15 12 o 18.204  2.4455  46.535    11.413    32.593    15.893    61.381    16.400    15.251  3.8810  21.156  2.9765  -5.905116      4.890971 
1 1 1 -16 -15 13 o 114.675 2.5664  1773.27   78.823    1778.13   110.977   1768.33   111.974   114.838 3.6079  114.512 3.6507  0.3260727      5.132733 
1 1 1 -16 -15 14 o 27.800  2.0498  105.685   14.825    86.649    20.802    125.328   21.132    25.175  3.1542  30.424  2.6187  -5.248280      4.099573 
1 1 1 -16 -15 15 o 76.780  2.0638  793.239   42.442    783.571   59.842    803.024   60.204    76.308  2.9279  77.252  2.9096  -0.9437027     4.127696 
1 1 1 -16 -15 16 o 55.878  1.8699  419.921   27.977    433.864   39.661    406.113   39.469    56.804  2.6067  54.951  2.6816  1.853100       3.739792 
1 1 1 -16 -15 17 o 48.187  1.8536  313.197   23.833    314.485   33.856    311.932   33.555    48.284  2.6277  48.089  2.6149  0.1952820      3.707153 
1 1 1 -16 -15 18 o 83.651  2.1625  942.851   48.449    957.925   68.878    928.088   68.163    84.314  3.0500  82.988  3.0665  1.326256       4.325016 
1 1 1 -16 -15 19 o 39.914  1.8932  215.984   20.065    202.872   28.828    228.304   27.944    38.713  2.7990  41.115  2.5501  -2.401608      3.786438 
1 1 1 -16 -15 20 o 80.885  2.1559  882.670   46.693    872.610   66.637    892.375   65.447    80.423  3.0934  81.346  3.0037  -0.9227142     4.311820 
1 1 1 -16 -15 21 o 50.052  1.8953  338.168   25.301    346.375   36.592    330.650   35.020    50.630  2.7081  49.473  2.6525  1.156902       3.790685 
1 1 1 -16 -15 22 o 10.132  2.7190  8.1075    10.420    16.744    15.770    1.4168    13.881    11.728  4.0881  8.5369  3.5859  3.190758       5.437990 
1 1 1 -16 -15 23 o 93.160  2.3191  1174.66   57.864    1174.56   82.366    1174.74   81.309    93.150  3.3012  93.170  3.2582  -0.2009583E-01 4.638291 
1 1 1 -16 -15 24 o 103.823 2.4665  1462.74   68.574    1433.08   97.264    1492.05   96.695    102.759 3.5338  104.888 3.4418  -2.128593      4.932960 
1 1 1 -16 -15 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -15 26 o 108.279 2.5597  1595.80   74.236    1587.77   105.158   1603.78   104.814   108.000 3.6352  108.558 3.6047  -0.5578079     5.119450 
1 1 1 -16 -15 27 o 46.378  2.0137  291.831   24.875    306.463   35.917    278.345   34.483    47.500  2.8360  45.256  2.8594  2.244541       4.027301 
1 1 1 -16 -15 28 o 30.757  2.3100  130.053   18.732    126.306   26.507    133.790   26.475    30.297  3.3208  31.218  3.2121  -0.9202709     4.620087 
1 1 1 -16 -15 29 o 54.503  2.1253  404.457   30.893    420.614   44.211    389.040   43.186    55.576  2.9808  53.429  3.0302  2.147552       4.250558 
1 1 1 -16 -15 30 o 50.069  2.1368  342.054   28.513    350.497   40.955    334.112   39.721    50.667  3.0317  49.470  3.0120  1.196381       4.273605 
1 1 1 -16 -15 31 o 24.248  2.7277  83.129    17.026    93.374    24.071    72.872    24.085    25.861  3.5703  22.634  4.1248  3.226900       5.455371 
1 1 1 -16 -15 32 o 21.983  2.9109  69.203    16.493    73.662    23.125    64.587    23.529    22.777  3.9328  21.189  4.2927  1.587349       5.821882 
1 1 1 -16 -15 33 o 19.578  3.2214  56.235    16.838    40.298    23.695    72.492    23.931    16.675  4.9480  22.481  4.1263  -5.806215      6.442792 
1 1 1 -16 -15 34 f 41.447  2.3882  239.192   26.218    221.417   37.070    256.981   37.085    39.835  3.5102  43.060  3.2391  -3.225075      4.776315 
1 1 1 -16 -15 35 o 13.759  3.2399  23.699    15.705    41.856    21.261    1.8939    23.299    16.828  4.5899  10.689  4.5738  6.139119       6.479734 
1 1 1 -16 -15 36 o 12.101  4.7149  15.085    22.020    0.0000    0.0000    15.085    22.020    ?       ?       12.101  4.7149  ?              ?        
1 1 1 -16 -15 37 o 26.227  4.4910  101.993   30.415    101.993   30.415    0.0000    0.0000    26.227  4.4910  ?       ?       ?              ?        
1 1 1 -16 -15 38 o 54.464  2.5047  422.217   36.328    431.938   51.251    412.402   51.502    55.145  3.4878  53.783  3.5958  1.361847       5.009484 
1 1 1 -16 -15 39 o 14.588  3.3308  23.025    17.792    -7.4877   24.152    59.234    26.310    9.7193  4.3833  19.457  5.0164  -9.737460      6.661652 
1 1 1 -16 -15 40 o 10.851  3.2160  1.6756    16.432    -13.1429  21.946    20.582    24.789    8.7146  4.0233  12.987  5.0185  -4.272226      6.432086 
1 1 1 -16 -15 41 o 17.286  3.8249  46.851    20.036    34.281    27.243    61.662    29.571    15.108  5.3642  19.464  5.4538  -4.355970      7.649751 
1 1 1 -16 -15 42 o 26.794  2.8272  102.821   18.710    123.938   32.881    92.710    22.752    28.421  4.4666  25.167  3.4673  3.254770       5.654434 
1 1 1 -16 -15 43 f 38.612  2.5550  219.943   24.764    220.893   41.855    219.431   30.717    38.084  4.1713  39.140  2.9517  -1.055874      5.110059 
1 1 1 -16 -15 44 o 10.389  3.1151  3.5607    13.489    21.901    26.327    -2.9675   15.707    12.771  5.0997  8.0068  3.5788  4.764153       6.230154 
1 1 1 -16 -14 1  o 42.358  1.8623  242.070   21.022    246.564   29.974    237.721   29.490    42.747  2.6307  41.969  2.6368  0.7772598      3.724645 
1 1 1 -16 -14 2  f 31.400  1.8799  133.474   15.657    132.808   22.384    134.112   21.909    31.318  2.6946  31.482  2.6221  -0.1637554     3.759823 
1 1 1 -16 -14 3  o 74.215  2.0605  740.690   40.957    735.272   58.108    746.038   57.737    73.943  2.9339  74.487  2.8939  -0.5435257     4.121019 
1 1 1 -16 -14 4  o 46.558  1.8858  292.313   23.408    301.026   33.004    283.494   33.204    47.265  2.6172  45.852  2.7157  1.412483       3.771533 
1 1 1 -16 -14 5  o 67.763  2.0119  617.131   36.515    613.092   51.601    621.183   51.681    67.540  2.8523  67.986  2.8380  -0.4453812     4.023730 
1 1 1 -16 -14 6  o 90.044  2.2446  1090.65   54.113    1052.03   76.372    1129.58   76.683    88.438  3.2241  91.651  3.1237  -3.213951      4.489134 
1 1 1 -16 -14 7  o 108.195 2.4704  1576.11   71.553    1635.84   101.217   1516.44   101.166   110.254 3.4274  106.135 3.5587  4.119690       4.940800 
1 1 1 -16 -14 8  o 76.895  2.0878  794.753   42.994    801.368   60.399    787.959   61.214    77.222  2.9201  76.567  2.9848  0.6546402      4.175685 
1 1 1 -16 -14 9  o 91.503  2.2568  1125.99   55.303    1132.16   77.659    1119.63   78.774    91.761  3.1597  91.245  3.2232  0.5165634      4.513568 
1 1 1 -16 -14 10 o 70.952  2.0069  676.300   38.133    672.596   53.340    680.173   54.537    70.756  2.8145  71.149  2.8617  -0.3936157     4.013879 
1 1 1 -16 -14 11 o 52.085  1.8572  364.353   25.846    347.839   35.872    382.183   37.273    50.824  2.6442  53.347  2.6085  -2.523476      3.714335 
1 1 1 -16 -14 12 o 71.850  2.0096  694.133   38.646    711.195   54.096    676.348   55.231    72.758  2.7758  70.942  2.9066  1.815674       4.019168 
1 1 1 -16 -14 13 o 76.889  2.0528  794.383   42.267    770.799   59.333    818.683   60.225    75.728  2.9251  78.049  2.8808  -2.320999      4.105562 
1 1 1 -16 -14 14 o 86.549  2.1646  1007.32   50.177    1012.10   70.740    1002.48   71.186    86.757  3.0442  86.340  3.0782  0.4173508      4.329190 
1 1 1 -16 -14 15 o 47.754  1.8451  307.348   23.483    325.997   33.381    289.077   33.041    49.200  2.5418  46.308  2.6752  2.892281       3.690180 
1 1 1 -16 -14 16 o 67.915  1.9751  619.987   35.919    639.713   51.056    600.657   50.541    68.987  2.7631  66.843  2.8229  2.144379       3.950140 
1 1 1 -16 -14 17 o 106.388 2.4322  1524.92   69.304    1547.44   98.348    1502.71   97.677    107.171 3.4261  105.606 3.4532  1.565025       4.864410 
1 1 1 -16 -14 18 o 25.565  2.1102  89.106    14.154    89.597    20.629    88.670    19.455    25.619  3.0673  25.510  2.8988  0.1088314      4.220328 
1 1 1 -16 -14 19 o 71.603  2.0221  690.076   38.767    685.836   55.484    694.120   54.190    71.383  2.9019  71.823  2.8168  -0.4401169     4.044209 
1 1 1 -16 -14 20 f 48.629  1.8847  319.513   24.415    309.841   35.188    328.491   33.903    47.904  2.7540  49.354  2.5736  -1.449986      3.769348 
1 1 1 -16 -14 21 o 52.110  1.8846  366.070   26.236    363.967   37.761    368.033   36.479    51.924  2.7247  52.296  2.6043  -0.3716660     3.769113 
1 1 1 -16 -14 22 o 55.445  1.9317  413.948   28.678    420.586   41.210    407.714   39.933    55.874  2.7536  55.017  2.7099  0.8564796      3.863395 
1 1 1 -16 -14 23 o 77.632  2.1308  813.880   44.283    795.523   63.167    831.622   62.097    76.758  3.0724  78.505  2.9532  -1.746521      4.261528 
1 1 1 -16 -14 24 o 46.873  1.9801  298.413   24.662    280.583   35.603    314.861   34.196    45.492  2.9375  48.253  2.6560  -2.760883      3.960238 
1 1 1 -16 -14 25 o 28.946  2.2021  114.368   16.776    123.218   24.318    106.333   23.174    30.033  3.0661  27.858  3.1616  2.174479       4.404188 
1 1 1 -16 -14 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -14 27 o 58.300  2.8785  475.915   39.768    488.868   47.083    443.672   74.285    60.099  2.9249  56.502  4.9586  3.596729       5.756972 
1 1 1 -16 -14 28 o 57.078  2.0780  442.808   31.640    418.826   45.233    465.784   44.274    55.494  3.0549  58.662  2.8177  -3.167622      4.155944 
1 1 1 -16 -14 29 o 54.940  2.1007  410.234   30.765    437.268   44.187    384.798   42.860    56.715  2.9186  53.166  3.0223  3.549763       4.201479 
1 1 1 -16 -14 30 o 30.685  2.3815  129.467   19.221    137.865   28.102    122.084   26.348    31.628  3.3692  29.743  3.3667  1.884956       4.762988 
1 1 1 -16 -14 31 o 45.139  2.1670  279.325   25.975    261.816   37.165    296.046   36.318    43.706  3.1969  46.572  2.9263  -2.866844      4.333994 
1 1 1 -16 -14 32 o 75.085  2.3186  771.436   46.630    772.677   65.840    770.188   66.050    75.150  3.2710  75.021  3.2870  0.1289597      4.637204 
1 1 1 -16 -14 33 o 62.827  2.2389  541.613   37.588    522.294   53.145    560.950   53.170    61.637  3.2303  64.017  3.1009  -2.379501      4.477758 
1 1 1 -16 -14 34 o 35.693  2.4840  177.417   23.401    191.123   33.694    164.647   32.523    37.066  3.4328  34.321  3.5911  2.745193       4.967964 
1 1 1 -16 -14 35 o 16.614  3.5748  39.187    17.549    28.899    23.590    51.936    26.260    14.571  5.0044  18.657  5.1062  -4.085629      7.149622 
1 1 1 -16 -14 36 o 17.935  3.2808  44.502    17.365    18.096    23.153    78.451    26.253    12.743  4.8689  23.127  4.3988  -10.38405      6.561624 
1 1 1 -16 -14 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -14 38 o 47.504  2.4675  320.116   31.173    313.013   43.850    327.373   44.325    46.952  3.5122  48.057  3.4668  -1.104465      4.935064 
1 1 1 -16 -14 39 o 42.932  2.6556  267.233   29.926    301.322   41.954    231.921   42.699    46.003  3.4295  39.862  4.0557  6.140995       5.311265 
1 1 1 -16 -14 40 o 17.399  3.0721  40.172    13.634    67.435    24.980    28.605    16.271    20.966  4.5767  13.833  4.0993  7.132974       6.144145 
1 1 1 -16 -14 41 o 23.123  2.9864  77.492    16.818    90.240    29.941    71.616    20.329    24.121  4.8030  22.125  3.5503  1.995668       5.972733 
1 1 1 -16 -14 42 o 40.102  2.4814  231.240   25.189    240.255   42.516    226.364   31.268    40.251  3.9964  39.953  2.9426  0.2986221      4.962850 
1 1 1 -16 -14 43 o 23.660  3.1878  81.391    18.321    107.023   33.340    70.303    21.928    25.811  5.0033  21.509  3.9518  4.301250       6.375649 
1 1 1 -16 -14 44 o 7.8021  2.6074  -15.8511  11.051    1.0025    24.027    -20.3729  12.446    10.168  4.4920  5.4364  2.6486  4.731358       5.214742 
1 1 1 -16 -13 1  o 117.796 2.6182  1869.31   82.606    1866.94   117.318   1871.63   116.334   117.719 3.7207  117.873 3.6847  -0.1542740     5.236496 
1 1 1 -16 -13 2  o 136.366 2.8890  2507.45   105.512   2480.76   149.751   2533.75   148.687   135.638 4.1219  137.095 4.0491  -1.457123      5.778056 
1 1 1 -16 -13 3  o 153.511 3.2132  3181.49   132.089   3118.45   187.374   3243.76   186.236   151.984 4.6028  155.038 4.4847  -3.054916      6.426393 
1 1 1 -16 -13 4  o 122.719 2.7082  2027.58   89.018    2032.84   126.316   2022.39   125.469   122.875 3.8380  122.562 3.8220  0.3134995      5.416471 
1 1 1 -16 -13 5  o 125.318 2.7532  2114.35   92.414    2121.34   130.938   2107.41   130.448   125.525 3.8945  125.112 3.8927  0.4125748      5.506349 
1 1 1 -16 -13 6  o 49.303  1.9065  327.159   25.075    318.591   35.037    336.154   35.901    48.639  2.7000  49.967  2.6924  -1.327454      3.813014 
1 1 1 -16 -13 7  o 117.334 2.5755  1851.85   80.941    1848.04   114.290   1855.69   114.647   117.213 3.6404  117.454 3.6442  -0.2418137     5.150992 
1 1 1 -16 -13 8  o 101.663 2.3743  1389.15   64.650    1371.21   91.035    1407.40   91.828    101.000 3.3651  102.325 3.3504  -1.325485      4.748639 
1 1 1 -16 -13 9  o 92.218  2.2419  1142.76   55.368    1150.40   77.810    1134.92   78.805    92.534  3.1394  91.903  3.2013  0.6306686      4.483791 
1 1 1 -16 -13 10 o 125.707 2.7029  2126.85   90.991    2162.39   128.181   2090.74   129.186   126.774 3.7749  124.641 3.8696  2.132545       5.405883 
1 1 1 -16 -13 11 o 59.630  1.8864  476.964   30.111    454.914   42.005    500.272   43.187    58.212  2.6940  61.048  2.6412  -2.835991      3.772731 
1 1 1 -16 -13 12 o 133.370 2.8192  2395.05   100.706   2403.13   142.015   2386.88   142.827   133.600 3.9686  133.141 4.0051  0.4588470      5.638306 
1 1 1 -16 -13 13 o 246.500 4.7704  8266.47   314.957   8306.42   445.218   8226.44   445.615   247.107 6.7266  245.892 6.7659  1.214996       9.540709 
1 1 1 -16 -13 14 o 73.431  2.0138  724.427   39.584    755.854   56.131    693.335   55.831    75.020  2.7934  71.843  2.9014  3.177460       4.027560 
1 1 1 -16 -13 15 o 47.506  1.8331  303.815   23.186    331.163   33.214    277.822   32.381    49.605  2.5079  45.407  2.6743  4.198181       3.666284 
1 1 1 -16 -13 16 o 54.439  1.8666  398.195   27.141    424.318   38.931    373.494   37.857    56.213  2.5857  52.665  2.6927  3.548031       3.733157 
1 1 1 -16 -13 17 f 75.019  2.0591  758.082   41.280    708.958   58.923    805.434   57.850    72.616  3.0295  77.422  2.7897  -4.806274      4.118227 
1 1 1 -16 -13 18 o 52.397  1.8835  370.109   26.319    355.866   38.045    383.180   36.448    51.383  2.7746  53.410  2.5478  -2.027115      3.766921 
1 1 1 -16 -13 19 o 133.010 2.8436  2388.34   101.303   2414.20   143.966   2362.98   142.573   133.724 4.0194  132.296 4.0235  1.427322       5.687164 
1 1 1 -16 -13 20 o 88.011  2.2437  1043.25   52.879    1035.18   75.461    1051.04   74.121    87.670  3.2135  88.351  3.1321  -0.6815338     4.487428 
1 1 1 -16 -13 21 o 20.702  2.4495  59.379    13.094    58.168    18.755    60.532    18.289    20.475  3.5484  20.928  3.3777  -0.4527149     4.898957 
1 1 1 -16 -13 22 o 44.373  1.9302  266.825   22.754    249.363   32.719    283.179   31.664    42.938  2.8613  45.807  2.5914  -2.869144      3.860379 
1 1 1 -16 -13 23 o 51.845  1.9753  363.779   27.273    349.734   39.334    376.783   37.848    50.859  2.8994  52.831  2.6835  -1.971272      3.950643 
1 1 1 -16 -13 24 o 69.162  2.0668  645.085   38.281    656.015   54.692    634.586   53.600    69.736  2.9281  68.589  2.9176  1.146622       4.133512 
1 1 1 -16 -13 25 o 50.883  2.0188  350.392   27.392    353.790   39.377    347.205   38.131    51.117  2.8878  50.649  2.8219  0.4670448      4.037637 
1 1 1 -16 -13 26 o 78.022  2.2177  823.931   46.330    811.075   66.013    836.411   65.040    77.410  3.1838  78.634  3.0880  -1.224319      4.435332 
1 1 1 -16 -13 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -13 28 o 96.293  2.4698  1260.96   63.700    1270.21   90.144    1251.74   90.026    96.650  3.4821  95.936  3.5035  0.7139664      4.939606 
1 1 1 -16 -13 29 o 41.123  2.1091  230.529   23.049    227.286   33.214    233.542   32.013    40.824  3.0597  41.422  2.9038  -0.5976563     4.218268 
1 1 1 -16 -13 30 o 33.922  2.2997  157.930   20.638    155.970   29.146    159.901   29.229    33.705  3.2695  34.140  3.2350  -0.4345474     4.599460 
1 1 1 -16 -13 31 o 35.316  2.3065  171.133   21.424    197.107   31.010    147.413   29.634    37.945  3.0776  32.686  3.4363  5.258911       4.612973 
1 1 1 -16 -13 32 o 30.623  2.4648  129.999   19.853    129.201   28.299    130.774   27.858    30.517  3.5271  30.729  3.4439  -0.2121944     4.929602 
1 1 1 -16 -13 33 o 27.474  2.9044  110.169   19.677    149.727   27.814    70.537    27.840    32.936  3.1930  22.011  4.8526  10.92430       5.808899 
1 1 1 -16 -13 34 o 28.470  2.6756  114.592   19.773    124.559   27.567    104.031   28.377    29.863  3.5135  27.077  4.0360  2.786093       5.351117 
1 1 1 -16 -13 35 o 20.810  3.2265  64.984    17.615    80.903    24.171    46.956    25.723    23.794  3.9298  17.825  5.1184  5.968555       6.453044 
1 1 1 -16 -13 36 o 51.602  2.3719  370.974   32.596    371.471   45.569    370.453   46.644    51.664  3.3105  51.541  3.3978  0.1227951      4.743886 
1 1 1 -16 -13 37 o 52.176  3.4690  382.389   48.204    0.0000    0.0000    382.389   48.204    ?       ?       52.176  3.4690  ?              ?        
1 1 1 -16 -13 38 o 47.027  3.8760  341.379   39.625    347.530   45.622    322.485   79.954    49.582  3.4569  44.473  6.9386  5.109528       7.752075 
1 1 1 -16 -13 39 o 16.243  3.1302  35.412    13.570    57.425    23.950    25.004    16.468    19.368  4.6708  13.119  4.1686  6.249648       6.260491 
1 1 1 -16 -13 40 o 13.998  3.7242  26.528    15.198    0.4124    48.234    29.407    16.013    13.972  6.2564  14.024  4.0418  -0.5169678E-01 7.448414 
1 1 1 -16 -13 41 o 29.392  2.6091  121.772   19.145    140.287   33.227    112.570   23.424    30.723  4.1435  28.062  3.1721  2.660458       5.218281 
1 1 1 -16 -13 42 o 18.377  3.3473  51.709    15.736    57.226    28.109    49.190    18.991    18.759  5.3388  17.995  4.0391  0.7639942      6.694555 
1 1 1 -16 -13 43 o 18.662  3.2994  48.637    16.048    82.757    28.477    32.758    19.427    22.819  4.8109  14.506  4.5165  8.312260       6.598719 
1 1 1 -16 -13 44 o 9.3765  2.9185  1.5420    12.882    -1.7763   25.223    2.7130    14.983    10.146  4.5350  8.6069  3.6749  1.539201       5.837083 
1 1 1 -16 -12 1  o 145.196 3.0266  2841.18   117.703   2845.06   167.067   2837.35   165.855   145.292 4.2930  145.100 4.2675  0.1915741      6.053195 
1 1 1 -16 -12 2  o 80.345  2.1141  866.988   45.493    881.571   64.550    852.597   64.125    81.017  2.9746  79.672  3.0049  1.344803       4.228202 
1 1 1 -16 -12 3  o 63.422  3.6812  542.729   62.265    542.729   62.265    0.0000    0.0000    63.422  3.6812  ?       ?       ?              ?        
1 1 1 -16 -12 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 11 o 203.415 7.9599  5637.12   433.690   5637.12   433.690   0.0000    0.0000    203.415 7.9599  ?       ?       ?              ?        
1 1 1 -16 -12 12 o 118.510 3.4330  1965.95   99.451    2086.09   120.840   1713.76   175.077   124.578 3.6214  112.441 5.8332  12.13728       6.865955 
1 1 1 -16 -12 13 o 92.472  2.2368  1148.60   55.396    1166.75   78.332    1130.44   78.352    93.205  3.1377  91.739  3.1886  1.466042       4.473513 
1 1 1 -16 -12 14 o 115.177 2.5553  1783.75   78.818    1825.67   111.674   1742.13   111.259   116.531 3.5779  113.824 3.6493  2.706207       5.110626 
1 1 1 -16 -12 15 o 101.555 2.3694  1386.01   64.442    1419.43   91.627    1353.31   90.650    102.768 3.3287  100.341 3.3729  2.426796       4.738837 
1 1 1 -16 -12 16 o 66.707  1.9521  597.938   34.850    582.487   49.897    612.655   48.696    65.860  2.8285  67.553  2.6913  -1.692657      3.904298 
1 1 1 -16 -12 17 o 136.307 2.8877  2503.06   105.416   2554.57   149.878   2452.63   148.296   137.699 4.0637  134.915 4.1038  2.783646       5.775302 
1 1 1 -16 -12 18 o 140.863 2.9750  2675.77   112.241   2680.56   159.500   2671.07   157.977   140.984 4.2238  140.742 4.1907  0.2420654      5.949967 
1 1 1 -16 -12 19 o 31.457  2.0223  133.733   16.823    139.601   24.697    128.652   22.979    32.098  2.9041  30.815  2.8152  1.283495       4.044589 
1 1 1 -16 -12 20 o 49.550  1.9162  331.465   25.284    320.132   36.518    341.900   35.041    48.721  2.8103  50.379  2.6057  -1.658409      3.832421 
1 1 1 -16 -12 21 o 45.215  1.9097  275.874   23.005    273.901   33.113    277.714   31.985    45.051  2.7574  45.378  2.6429  -0.3276062     3.819466 
1 1 1 -16 -12 22 o 13.486  2.8885  24.780    11.464    19.740    16.794    29.176    15.687    12.510  4.2233  14.462  3.9417  -1.951927      5.776943 
1 1 1 -16 -12 23 o 31.240  2.0755  132.656   17.146    130.580   24.663    134.599   23.854    30.990  3.0091  31.490  2.8593  -0.5002823     4.150956 
1 1 1 -16 -12 24 o 69.107  2.0855  643.778   38.593    643.600   55.242    643.947   53.938    69.092  2.9850  69.122  2.9133  -0.2950287E-01 4.171075 
1 1 1 -16 -12 25 o 73.141  2.1692  722.656   42.466    702.293   60.591    742.317   59.536    72.114  3.1369  74.167  2.9970  -2.053291      4.338406 
1 1 1 -16 -12 26 o 80.477  2.2364  875.722   48.203    874.510   68.666    876.900   67.682    80.416  3.1879  80.538  3.1375  -0.1220245     4.472899 
1 1 1 -16 -12 27 o 92.450  2.4116  1159.43   59.691    1123.26   84.619    1195.25   84.214    90.994  3.4719  93.906  3.3481  -2.912468      4.823263 
1 1 1 -16 -12 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 29 o 32.061  2.3590  142.082   19.466    178.466   28.014    108.111   27.069    36.191  2.9146  27.932  3.7100  8.259789       4.717905 
1 1 1 -16 -12 30 o 56.327  2.1880  432.118   32.868    420.045   46.644    444.025   46.323    55.527  3.1492  57.127  3.0383  -1.600716      4.375907 
1 1 1 -16 -12 31 o 26.412  2.5964  97.181    17.838    103.501   25.280    90.914    25.173    27.317  3.5382  25.506  3.8007  1.811281       5.192708 
1 1 1 -16 -12 32 o 52.853  2.2031  382.566   30.964    411.232   43.600    353.397   43.982    54.908  2.9757  50.798  3.2495  4.109207       4.406160 
1 1 1 -16 -12 33 o 23.559  2.9293  79.789    17.649    88.319    24.084    69.895    25.938    25.093  3.6937  22.024  4.5476  3.069748       5.858700 
1 1 1 -16 -12 34 o 36.848  2.4231  189.254   23.475    207.187   32.671    170.114   33.753    38.764  3.1744  34.932  3.6619  3.832794       4.846269 
1 1 1 -16 -12 35 o 42.348  2.4004  248.867   26.977    247.020   37.363    250.878   38.990    42.210  3.3319  42.485  3.4563  -0.2756996     4.800744 
1 1 1 -16 -12 36 o 20.032  3.3456  61.945    18.673    88.186    25.441    31.295    27.495    24.807  3.9622  15.258  5.3920  9.548735       6.691263 
1 1 1 -16 -12 37 o 37.788  2.3868  208.623   22.452    169.448   36.146    233.232   28.648    34.417  3.9953  41.159  2.6122  -6.741482      4.773506 
1 1 1 -16 -12 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -12 39 o 17.101  3.1037  44.238    13.658    42.849    24.339    44.876    16.502    16.714  5.0274  17.489  3.6411  -0.7745152     6.207493 
1 1 1 -16 -12 40 o 29.872  2.6870  131.740   19.701    123.301   33.240    136.309   24.460    28.664  4.4758  31.080  2.9745  -2.416574      5.374018 
1 1 1 -16 -12 41 o 46.226  2.3698  308.713   28.091    289.923   45.164    320.568   35.874    44.638  3.8141  47.814  2.8135  -3.176556      4.739520 
1 1 1 -16 -12 42 o 17.901  3.4108  48.748    16.012    56.839    27.830    44.745    19.576    18.745  5.3044  17.058  4.2891  1.687515       6.821524 
1 1 1 -16 -12 43 o 11.162  3.1686  11.039    13.228    20.550    24.942    7.3178    15.603    12.809  5.0104  9.5157  3.8802  3.292952       6.337178 
1 1 1 -16 -12 44 o 8.4445  2.7472  -15.8413  12.056    9.6471    24.609    -23.8901  13.829    11.249  4.7524  5.6403  2.7575  5.608280       5.494458 
1 1 1 -16 -12 45 o 11.929  3.4570  16.493    15.441    18.190    33.139    16.023    17.452    12.848  5.4751  11.009  4.2221  1.839297       6.913966 
1 1 1 -16 -11 1  o 135.443 3.6433  2483.86   122.681   2450.46   217.989   2499.35   148.415   134.587 6.0470  136.298 4.0654  -1.711578      7.286557 
1 1 1 -16 -11 2  o 95.792  2.3051  1232.35   59.140    1228.20   83.974    1236.44   83.302    95.630  3.2784  95.954  3.2412  -0.3232880     4.610139 
1 1 1 -16 -11 3  o 77.620  2.0595  808.651   42.808    830.634   60.644    786.818   60.436    78.673  2.8779  76.566  2.9469  2.106956       4.119065 
1 1 1 -16 -11 4  o 149.548 3.0961  3009.09   123.996   3083.82   175.777   2935.06   174.939   151.403 4.3345  147.693 4.4222  3.710403       6.192234 
1 1 1 -16 -11 5  o 195.758 3.8675  5168.39   202.762   5273.01   287.099   5064.28   286.401   197.747 5.4204  193.769 5.5182  3.977478       7.735098 
1 1 1 -16 -11 6  o 116.327 2.5857  1817.94   80.545    1765.38   113.613   1871.04   114.205   114.632 3.7003  118.022 3.6127  -3.389236      5.171424 
1 1 1 -16 -11 7  o 70.984  1.9786  675.753   37.612    660.139   52.615    692.071   53.788    70.146  2.8004  71.822  2.7960  -1.676674      3.957246 
1 1 1 -16 -11 8  o 149.842 3.0507  3019.65   122.438   3028.93   172.753   3010.29   173.557   150.076 4.2976  149.608 4.3311  0.4674072      6.101472 
1 1 1 -16 -11 9  o 247.197 4.7391  8268.89   313.678   8500.30   443.286   8036.80   443.931   250.699 6.6015  243.695 6.8011  7.003860       9.478119 
1 1 1 -16 -11 10 o 151.362 3.1015  3082.85   125.689   3173.02   177.348   2991.85   178.159   153.598 4.3107  149.126 4.4603  4.471878       6.202950 
1 1 1 -16 -11 11 o 148.047 3.0363  2947.93   120.400   2951.87   169.991   2943.97   170.554   148.147 4.2839  147.946 4.3040  0.2013245      6.072591 
1 1 1 -16 -11 12 o 115.283 2.5348  1785.52   78.258    1749.95   110.689   1821.08   110.660   114.132 3.6208  116.435 3.5483  -2.303741      5.069580 
1 1 1 -16 -11 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -11 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -11 15 o 85.012  2.8978  1019.18   59.747    1094.32   72.525    860.489   105.397   90.284  2.9991  79.740  4.9593  10.54407       5.795576 
1 1 1 -16 -11 16 o 86.412  2.1493  1002.23   49.734    1032.36   71.177    973.477   69.521    87.682  3.0307  85.143  3.0484  2.538734       4.298620 
1 1 1 -16 -11 17 o 48.502  1.8701  317.418   24.121    305.834   35.176    327.701   33.141    47.650  2.7680  49.354  2.5154  -1.703266      3.740163 
1 1 1 -16 -11 18 f 46.351  1.8781  289.834   23.160    281.628   33.673    297.200   31.905    45.715  2.7630  46.988  2.5445  -1.272861      3.756162 
1 1 1 -16 -11 19 o 46.658  1.9569  295.147   24.193    268.063   35.018    319.880   33.463    44.570  2.9500  48.745  2.5721  -4.174614      3.913842 
1 1 1 -16 -11 20 o 77.179  2.0976  799.982   43.341    834.388   62.216    767.545   60.410    78.792  2.9481  75.567  2.9846  3.225227       4.195107 
1 1 1 -16 -11 21 o 47.265  1.9951  304.087   24.868    257.412   35.744    347.871   34.619    43.640  3.0777  50.891  2.5397  -7.250957      3.990284 
1 1 1 -16 -11 22 o 59.207  1.9706  471.392   31.238    469.852   44.788    472.851   43.592    59.110  2.8289  59.305  2.7443  -0.1955185     3.941240 
1 1 1 -16 -11 23 o 42.407  2.0468  244.330   22.956    215.002   32.650    273.004   32.284    39.840  3.0837  44.975  2.6923  -5.135448      4.093608 
1 1 1 -16 -11 24 o 69.490  2.0820  650.277   38.746    659.804   55.392    641.150   54.217    69.987  2.9549  68.993  2.9339  0.9936447      4.164015 
1 1 1 -16 -11 25 o 27.024  2.2852  100.083   16.184    97.261    23.334    102.698   22.466    26.631  3.3450  27.418  3.1145  -0.7863235     4.570470 
1 1 1 -16 -11 26 o 37.556  2.1094  191.677   21.015    188.519   30.365    194.580   29.115    37.241  3.0715  37.870  2.8921  -0.6289673     4.218809 
1 1 1 -16 -11 27 o 77.331  2.2244  808.923   46.051    841.606   65.314    776.614   64.939    78.898  3.0907  75.765  3.2000  3.133339       4.448853 
1 1 1 -16 -11 28 o 69.912  2.1923  661.678   41.050    655.768   58.157    667.545   57.950    69.596  3.1198  70.228  3.0807  -0.6316071     4.384531 
1 1 1 -16 -11 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -11 30 o 57.750  2.1667  453.547   33.370    487.040   47.257    420.237   47.127    59.952  2.9429  55.547  3.1807  4.404381       4.333305 
1 1 1 -16 -11 31 o 39.512  2.2217  213.720   23.279    226.161   32.817    201.119   33.028    40.705  3.0317  38.318  3.2486  2.387199       4.443459 
1 1 1 -16 -11 32 o 56.691  2.2519  439.500   34.017    450.740   47.398    427.560   48.850    57.474  3.0902  55.909  3.2764  1.565811       4.503801 
1 1 1 -16 -11 33 o 31.998  2.5096  142.322   21.067    146.864   28.951    137.208   30.714    32.603  3.3635  31.393  3.7254  1.210455       5.019172 
1 1 1 -16 -11 34 o 18.500  3.3105  50.329    16.552    58.205    22.614    41.242    24.292    20.083  4.3313  16.917  5.0078  3.166195       6.621040 
1 1 1 -16 -11 35 o 12.079  2.6072  19.661    11.438    -11.9340  20.206    34.560    13.875    8.6100  3.9325  15.547  3.4244  -6.937377      5.214475 
1 1 1 -16 -11 36 o 31.436  2.3003  138.685   18.365    133.970   29.925    141.535   23.261    30.822  3.6987  32.049  2.7359  -1.227537      4.600604 
1 1 1 -16 -11 37 o 24.107  2.7094  82.532    16.227    86.418    27.269    80.402    20.190    24.330  4.3438  23.885  3.2395  0.4454308      5.418802 
1 1 1 -16 -11 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -11 39 o 26.711  2.5785  99.884    17.337    114.112   29.246    92.175    21.527    27.958  4.0212  25.464  3.2287  2.493549       5.157023 
1 1 1 -16 -11 40 o 25.308  2.8739  96.550    17.729    87.691    29.731    101.439   22.086    23.912  4.8087  26.704  3.1484  -2.792049      5.747711 
1 1 1 -16 -11 41 o 21.127  3.1606  76.108    17.256    39.851    28.079    98.112    21.874    16.065  5.4607  26.189  3.1839  -10.12367      6.321103 
1 1 1 -16 -11 42 f 19.749  3.1886  65.680    16.495    40.301    27.576    79.820    20.583    16.044  5.4118  23.455  3.3735  -7.410339      6.377142 
1 1 1 -16 -11 43 o 27.404  2.9282  108.901   19.933    129.683   34.468    98.459    24.433    28.970  4.5953  25.839  3.6305  3.131508       5.856377 
1 1 1 -16 -11 44 o 13.502  3.0516  6.8621    14.295    65.364    27.223    -15.4109  16.797    19.872  5.0914  7.1316  3.3656  12.74075       6.103281 
1 1 1 -16 -11 45 o 11.715  3.0806  19.707    13.710    -3.4635   27.142    27.645    15.886    10.197  4.6183  13.234  4.0782  -3.036898      6.161193 
1 1 1 -16 -10 1  o 158.955 3.2918  3401.44   140.125   3340.55   198.657   3461.72   197.680   157.530 4.7082  160.380 4.6018  -2.849976      6.583555 
1 1 1 -16 -10 2  o 51.750  1.8414  359.918   25.448    379.025   36.016    340.867   35.963    53.161  2.5294  50.339  2.6768  2.822144       3.682815 
1 1 1 -16 -10 3  o 57.401  1.8849  441.909   28.972    427.716   40.760    456.402   41.188    56.469  2.6949  58.334  2.6361  -1.864883      3.769819 
1 1 1 -16 -10 4  o 83.194  2.1540  928.780   47.996    936.937   67.747    920.560   68.006    83.562  3.0269  82.826  3.0654  0.7355652      4.307999 
1 1 1 -16 -10 5  o 190.624 3.7956  4895.48   193.796   4875.58   274.172   4915.35   273.966   190.234 5.3808  191.014 5.3548  -0.7798004     7.591239 
1 1 1 -16 -10 6  o 85.436  2.1380  979.504   48.919    987.343   68.762    971.470   69.611    85.784  2.9926  85.089  3.0543  0.6955948      4.276056 
1 1 1 -16 -10 7  o 130.314 2.7874  2281.33   97.287    2247.89   137.095   2315.26   138.080   129.351 3.9570  131.278 3.9269  -1.927063      5.574778 
1 1 1 -16 -10 8  o 260.788 4.9455  9199.73   345.390   9383.77   488.079   9015.12   488.832   263.429 6.9173  258.147 7.0697  5.281555       9.890923 
1 1 1 -16 -10 9  o 158.725 3.1944  3388.22   135.798   3412.91   191.523   3363.25   192.577   159.311 4.4884  158.139 4.5465  1.171692       6.388735 
1 1 1 -16 -10 10 o 29.111  1.8709  114.666   14.417    118.992   20.325    110.285   20.454    29.675  2.5828  28.547  2.7074  1.128147       3.741791 
1 1 1 -16 -10 11 o 110.687 2.4687  1644.96   73.192    1642.63   103.468   1647.29   103.550   110.609 3.4924  110.766 3.4902  -0.1570358     4.937492 
1 1 1 -16 -10 12 o 184.767 3.6624  4598.54   181.229   4517.46   256.386   4679.50   256.208   183.129 5.2269  186.404 5.1315  -3.275101      7.324862 
1 1 1 -16 -10 13 o 139.227 2.9089  2605.64   108.461   2664.87   153.825   2547.07   152.952   140.805 4.0787  137.649 4.1485  3.155899       5.817720 
1 1 1 -16 -10 14 o 70.942  1.9635  674.953   37.302    686.474   53.460    664.023   52.073    71.532  2.7902  70.353  2.7634  1.178215       3.927041 
1 1 1 -16 -10 15 o 152.641 3.8632  3123.75   149.044   3199.54   259.029   3086.23   182.232   153.842 6.2861  151.440 4.4926  2.402145       7.726490 
1 1 1 -16 -10 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -10 17 o 92.638  2.8599  1154.87   65.970    1153.05   79.914    1158.76   116.885   92.658  3.2200  92.617  4.7274  0.4029083E-01  5.719868 
1 1 1 -16 -10 18 o 177.702 3.6051  4263.26   171.526   4136.59   243.072   4388.90   242.080   175.049 5.1842  180.356 5.0112  -5.306488      7.210297 
1 1 1 -16 -10 19 o 53.254  1.9349  381.777   27.491    380.670   39.530    382.815   38.258    53.174  2.7852  53.334  2.6867  -0.1596375     3.869818 
1 1 1 -16 -10 20 o 165.623 3.4116  3704.83   151.342   3706.96   214.514   3702.73   213.549   165.668 4.8342  165.579 4.8151  0.8898926E-01  6.823121 
1 1 1 -16 -10 21 o 52.461  1.9705  370.001   27.560    390.680   40.044    351.391   37.988    53.855  2.7856  51.067  2.7878  2.787445       3.940959 
1 1 1 -16 -10 22 o 93.018  2.3862  1165.81   59.398    1120.10   84.554    1210.35   83.459    91.203  3.4612  94.832  3.2857  -3.628593      4.772434 
1 1 1 -16 -10 23 o 103.282 2.5148  1438.70   69.536    1395.92   98.759    1480.76   97.923    101.746 3.6239  104.818 3.4879  -3.072479      5.029684 
1 1 1 -16 -10 24 o 76.568  2.1424  789.809   43.919    771.848   62.539    807.286   61.691    75.701  3.0843  77.434  2.9744  -1.733742      4.284877 
1 1 1 -16 -10 25 f 14.891  3.0099  30.787    12.605    30.661    17.609    30.919    18.051    14.853  4.2250  14.928  4.2880  -0.7503986E-01 6.019783 
1 1 1 -16 -10 26 o 57.127  2.0696  441.215   31.558    449.961   44.739    432.553   44.522    57.697  2.9043  56.558  2.9492  1.138260       4.139146 
1 1 1 -16 -10 27 o 25.718  2.4212  91.041    16.255    94.780    23.186    87.426    22.797    26.256  3.3750  25.181  3.4724  1.074944       4.842341 
1 1 1 -16 -10 28 o 27.948  2.3731  107.924   17.235    122.734   24.304    92.943    24.445    29.972  3.0709  25.925  3.6189  4.046326       4.746233 
1 1 1 -16 -10 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -10 30 o 44.641  2.1807  271.437   25.911    270.049   36.311    272.878   36.985    44.529  3.0631  44.753  3.1047  -0.2237434     4.361351 
1 1 1 -16 -10 31 o 49.471  2.1749  333.823   28.638    341.684   39.810    325.392   41.227    50.104  2.9799  48.839  3.1687  1.264595       4.349754 
1 1 1 -16 -10 32 o 27.486  2.6073  104.876   18.663    95.777    25.791    114.877   27.041    26.189  3.7866  28.782  3.5853  -2.592793      5.214680 
1 1 1 -16 -10 33 o 56.884  2.0412  438.049   30.797    459.937   47.014    421.598   40.759    58.040  3.0347  55.728  2.7306  2.311916       4.082379 
1 1 1 -16 -10 34 o 17.683  2.7457  42.347    12.286    55.440    20.711    35.238    15.261    19.672  4.0651  15.695  3.6921  3.977645       5.491455 
1 1 1 -16 -10 35 o 24.053  2.5846  81.929    15.431    80.337    25.647    82.832    19.320    23.679  4.1975  24.428  3.0168  -0.7491741     5.169137 
1 1 1 -16 -10 36 f 14.929  2.7143  35.538    12.629    3.4371    21.414    52.658    15.638    10.521  4.4384  19.338  3.1258  -8.817319      5.428577 
1 1 1 -16 -10 37 o 43.410  2.1864  260.392   24.813    267.583   39.067    255.531   32.124    43.777  3.3574  43.042  2.8016  0.7349548      4.372768 
1 1 1 -16 -10 38 o 20.821  3.6337  62.500    19.527    0.0000    0.0000    62.500    19.527    ?       ?       20.821  3.6337  ?              ?        
1 1 1 -16 -10 39 o 10.679  2.8981  12.202    11.877    0.7414    20.592    17.916    14.539    9.8631  4.2610  11.496  3.9293  -1.632583      5.796130 
1 1 1 -16 -10 40 o 18.371  3.2098  52.982    15.333    45.199    26.154    57.058    18.927    17.038  5.2298  19.703  3.7229  -2.664627      6.419584 
1 1 1 -16 -10 41 o 6.8301  2.3013  -15.8612  10.548    -17.6013  19.119    -15.0998  12.646    7.6674  3.6100  5.9929  2.8550  1.674483       4.602531 
1 1 1 -16 -10 42 o 14.531  3.2864  32.697    14.256    24.999    25.687    36.124    17.137    13.648  5.1490  15.414  4.0852  -1.765490      6.572704 
1 1 1 -16 -10 43 o 31.396  2.8407  147.822   21.726    144.539   37.531    149.477   26.644    30.503  4.7481  32.289  3.1197  -1.785791      5.681299 
1 1 1 -16 -10 44 o 17.654  3.4707  47.078    16.324    66.384    28.487    37.639    19.919    19.931  5.2596  15.377  4.5299  4.554319       6.941390 
1 1 1 -16 -10 45 o 12.425  3.3485  21.872    14.445    19.244    28.441    22.786    16.769    12.610  5.2013  12.240  4.2185  0.3702612      6.696990 
1 1 1 -16 -9  1  o 131.624 2.7867  2327.56   98.243    2355.34   139.418   2300.16   138.459   132.405 3.9312  130.842 3.9508  1.562469       5.573427 
1 1 1 -16 -9  2  o 57.661  1.8683  445.947   28.846    432.710   40.727    459.271   40.861    56.801  2.6769  58.521  2.6068  -1.719532      3.736510 
1 1 1 -16 -9  3  o 154.753 3.2104  3220.24   133.072   3242.15   188.582   3198.52   187.804   155.278 4.5342  154.228 4.5462  1.049988       6.420848 
1 1 1 -16 -9  4  o 153.635 3.1504  3173.25   129.643   3187.61   183.492   3158.93   183.194   153.983 4.4489  153.287 4.4619  0.6959381      6.300895 
1 1 1 -16 -9  5  o 56.184  1.8801  423.010   28.283    410.462   39.387    436.367   40.638    55.324  2.6579  57.043  2.6598  -1.719036      3.760196 
1 1 1 -16 -9  6  o 128.682 2.7700  2224.84   95.438    2288.88   134.695   2160.27   135.246   130.548 3.8520  126.815 3.9817  3.732994       5.540033 
1 1 1 -16 -9  7  o 115.360 2.5381  1786.89   78.411    1810.34   110.392   1763.01   111.396   116.127 3.5491  114.592 3.6293  1.534576       5.076202 
1 1 1 -16 -9  8  o 177.503 3.5188  4239.34   167.298   4224.90   236.030   4253.92   237.163   177.200 4.9729  177.806 4.9798  -0.6063995     7.037655 
1 1 1 -16 -9  9  o 100.470 2.3090  1355.17   62.108    1394.19   87.503    1315.56   88.168    101.931 3.2050  99.008  3.3247  2.923279       4.617971 
1 1 1 -16 -9  10 o 191.176 3.7245  4920.81   190.714   4961.71   269.702   4879.90   269.717   191.975 5.2451  190.377 5.2894  1.597931       7.449049 
1 1 1 -16 -9  11 o 215.145 4.1492  6240.95   239.060   6383.06   338.385   6099.36   337.780   217.605 5.8057  212.685 5.9294  4.920563       8.298395 
1 1 1 -16 -9  12 o 117.744 2.5621  1861.56   80.770    1932.44   114.718   1791.88   113.740   119.971 3.5700  115.517 3.6760  4.454544       5.124240 
1 1 1 -16 -9  13 o 96.002  2.2524  1236.60   57.912    1256.30   82.567    1217.52   81.250    96.754  3.1860  95.250  3.1847  1.504707       4.504779 
1 1 1 -16 -9  14 o 77.707  2.0431  810.090   42.509    810.330   60.958    809.862   59.309    77.716  2.9284  77.698  2.8498  0.1876831E-01  4.086208 
1 1 1 -16 -9  15 o 213.313 4.1999  6140.96   239.949   6091.93   340.058   6189.58   338.625   212.455 5.9758  214.171 5.9029  -1.716110      8.399711 
1 1 1 -16 -9  16 o 18.675  2.6111  48.603    12.565    46.910    18.446    50.067    17.162    18.340  3.8762  19.010  3.4994  -0.6700211     5.222188 
1 1 1 -16 -9  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -9  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -9  19 o 145.374 3.1144  2847.49   121.212   2757.70   171.826   2936.44   171.017   143.077 4.4836  147.671 4.3237  -4.594208      6.228757 
1 1 1 -16 -9  20 o 170.643 3.5090  3931.97   160.346   3844.62   227.129   4018.76   226.400   168.735 5.0255  172.550 4.8986  -3.814484      7.017975 
1 1 1 -16 -9  21 o 115.959 2.6274  1809.78   81.602    1831.25   116.056   1788.78   114.761   116.639 3.7148  115.279 3.7167  1.360718       5.254848 
1 1 1 -16 -9  22 o 74.018  2.1522  736.944   42.642    722.319   61.012    750.909   59.622    73.294  3.1079  74.742  2.9782  -1.448647      4.304461 
1 1 1 -16 -9  23 o 86.338  2.2618  1003.09   52.299    1022.43   74.247    984.039   73.681    87.166  3.1801  85.509  3.2170  1.657005       4.523536 
1 1 1 -16 -9  24 o 110.577 2.6128  1649.79   77.383    1628.60   109.272   1671.10   109.600   109.861 3.7134  111.294 3.6766  -1.432419      5.225637 
1 1 1 -16 -9  25 o 86.491  2.2861  1008.53   52.960    1005.21   74.902    1011.84   74.892    86.348  3.2385  86.634  3.2275  -0.2861633     4.572158 
1 1 1 -16 -9  26 o 48.652  2.0754  320.247   26.913    327.035   37.967    313.391   38.155    49.179  2.8951  48.125  2.9746  1.053349       4.150868 
1 1 1 -16 -9  27 o 111.227 2.6548  1677.41   79.078    1698.61   111.323   1655.82   112.351   111.952 3.7125  110.503 3.7959  1.448738       5.309559 
1 1 1 -16 -9  28 f 16.953  3.0248  40.091    13.684    34.980    18.203    46.733    20.750    15.751  4.2267  18.155  4.3282  -2.403584      6.049660 
1 1 1 -16 -9  29 o 70.034  2.2199  664.369   41.631    669.749   58.346    658.789   59.418    70.333  3.0972  69.734  3.1811  0.5986176      4.439838 
1 1 1 -16 -9  30 o 35.923  3.2397  176.500   30.836    176.500   30.836    0.0000    0.0000    35.923  3.2397  ?       ?       ?              ?        
1 1 1 -16 -9  31 o 39.782  2.0058  210.993   20.968    243.936   32.985    188.653   27.163    42.326  2.9275  37.237  2.7427  5.088802       4.011528 
1 1 1 -16 -9  32 o 60.388  2.1539  504.868   34.041    440.309   51.378    555.383   45.447    56.731  3.3968  64.045  2.6493  -7.314281      4.307817 
1 1 1 -16 -9  33 o 73.857  2.2063  745.402   43.315    723.600   64.831    762.981   58.214    72.794  3.3251  74.921  2.9009  -2.127228      4.412638 
1 1 1 -16 -9  34 o 31.739  2.2068  139.369   18.080    136.123   28.557    141.541   23.358    31.325  3.4614  32.154  2.7383  -0.8288784     4.413539 
1 1 1 -16 -9  35 o 23.272  2.6219  79.567    14.895    65.889    24.376    87.717    18.817    21.341  4.4103  25.204  2.8367  -3.862902      5.243833 
1 1 1 -16 -9  36 o 16.479  3.0266  40.215    13.238    35.460    22.025    42.905    16.564    15.686  4.7967  17.272  3.6924  -1.585891      6.053272 
1 1 1 -16 -9  37 o 13.489  3.0112  26.302    12.446    16.414    20.538    32.040    15.645    12.140  4.5983  14.839  3.8891  -2.699080      6.022422 
1 1 1 -16 -9  38 o 9.8686  2.7446  8.2417    11.083    -4.9019   18.934    15.092    13.669    8.8998  3.9569  10.837  3.8044  -1.937624      5.489175 
1 1 1 -16 -9  39 o 24.000  3.0545  89.123    17.884    72.104    29.546    98.964    22.467    21.590  5.1764  26.410  3.2442  -4.820917      6.108997 
1 1 1 -16 -9  40 o 28.907  2.5805  116.664   18.975    138.179   31.664    104.607   23.703    30.775  3.9311  27.039  3.3442  3.735609       5.161073 
1 1 1 -16 -9  41 o 11.014  2.8694  -0.3440   11.832    37.363    22.528    -14.7065  13.904    15.594  4.8650  6.4334  3.0440  9.160757       5.738854 
1 1 1 -16 -9  42 o 29.276  3.0987  139.042   20.804    101.469   35.862    158.100   25.540    25.090  5.4890  33.463  2.8775  -8.372774      6.197490 
1 1 1 -16 -9  43 o 17.606  3.5803  48.995    16.870    51.567    30.856    47.898    20.148    17.633  5.7170  17.579  4.3117  0.5376434E-01  7.160671 
1 1 1 -16 -9  44 f 10.989  3.1923  3.1201    13.551    30.323    27.514    -5.5911   15.570    14.231  5.3371  7.7467  3.5042  6.484302       6.384629 
1 1 1 -16 -9  45 o 8.8048  2.8571  -5.8432   13.283    -3.7967   26.552    -6.5264   15.341    10.096  4.5706  7.5134  3.4296  2.582855       5.714285 
1 1 1 -16 -8  1  o 73.589  2.0361  726.441   40.132    720.993   56.848    731.853   56.664    73.314  2.8949  73.865  2.8640  -0.5513916     4.072267 
1 1 1 -16 -8  2  o 288.442 5.4884  11269.96  424.028   11277.79  600.256   11262.17  599.078   288.540 7.7668  288.344 7.7568  0.1957397      10.97685 
1 1 1 -16 -8  3  o 232.851 4.5476  7317.76   283.627   7307.33   401.499   7328.15   400.721   232.682 6.4422  233.020 6.4204  -0.3373108     9.095210 
1 1 1 -16 -8  4  o 66.690  1.9174  596.255   34.230    568.554   47.955    625.030   48.876    65.110  2.7497  68.270  2.6729  -3.159904      3.834736 
1 1 1 -16 -8  5  o 127.454 2.6937  2181.42   91.957    2189.81   129.867   2172.98   130.228   127.701 3.7968  127.207 3.8221  0.4939117      5.387400 
1 1 1 -16 -8  6  o 41.915  1.7737  236.489   19.789    237.969   27.271    234.842   28.761    42.060  2.4311  41.770  2.5834  0.2902756      3.547402 
1 1 1 -16 -8  7  o 95.312  2.2397  1219.44   57.152    1249.18   80.310    1188.93   81.349    96.494  3.1073  94.131  3.2265  2.362419       4.479457 
1 1 1 -16 -8  8  o 127.853 2.7314  2195.12   93.534    2180.48   131.853   2209.94   132.705   127.424 3.8632  128.282 3.8622  -0.8581161     5.462702 
1 1 1 -16 -8  9  o 136.549 2.8535  2505.11   104.334   2577.58   147.570   2432.67   147.530   138.530 3.9771  134.568 4.0931  3.962006       5.707052 
1 1 1 -16 -8  10 o 110.143 2.4382  1628.37   71.914    1672.83   101.954   1584.34   101.451   111.643 3.4094  108.644 3.4863  2.998459       4.876315 
1 1 1 -16 -8  11 o 104.520 2.3393  1465.91   65.482    1500.44   93.057    1432.05   92.159    105.741 3.2856  103.300 3.3308  2.441139       4.678629 
1 1 1 -16 -8  12 f 149.625 3.0474  3008.56   122.121   3061.11   173.411   2956.86   172.007   150.923 4.2897  148.327 4.3295  2.597015       6.094791 
1 1 1 -16 -8  13 f 57.435  1.8340  441.913   28.196    454.154   40.792    430.715   39.017    58.195  2.6170  56.675  2.5702  1.520275       3.668038 
1 1 1 -16 -8  14 o 251.047 4.8239  8519.31   324.313   8347.15   459.288   8690.51   458.011   248.490 6.9006  253.603 6.7427  -5.112671      9.647894 
1 1 1 -16 -8  15 o 142.463 3.0110  2728.75   114.869   2681.79   163.161   2774.89   161.747   141.241 4.3129  143.685 4.2028  -2.444351      6.021962 
1 1 1 -16 -8  16 o 87.223  2.1944  1021.59   51.234    997.002   73.189    1045.22   71.743    86.189  3.1703  88.257  3.0349  -2.067322      4.388809 
1 1 1 -16 -8  17 o 197.039 3.9030  5236.45   205.935   5114.10   291.704   5358.02   290.771   194.726 5.5928  199.352 5.4455  -4.626099      7.805968 
1 1 1 -16 -8  18 o 105.182 4.6960  1489.59   132.300   0.0000    0.0000    1489.59   132.300   ?       ?       105.182 4.6960  ?              ?        
1 1 1 -16 -8  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -8  20 o 117.589 2.6304  1859.29   82.824    1918.14   117.727   1801.61   116.545   119.437 3.6800  115.742 3.7594  3.694801       5.260734 
1 1 1 -16 -8  21 o 31.205  2.2572  132.320   18.489    149.720   26.500    115.817   25.809    33.250  3.0081  29.160  3.3662  4.090107       4.514426 
1 1 1 -16 -8  22 o 81.137  2.2188  885.190   48.202    856.998   68.159    913.397   68.178    79.839  3.1872  82.435  3.0878  -2.595085      4.437664 
1 1 1 -16 -8  23 o 130.845 2.9021  2311.00   101.630   2413.24   143.658   2208.56   143.794   133.766 4.0095  127.925 4.1966  5.840988       5.804116 
1 1 1 -16 -8  24 o 154.104 3.2953  3215.57   136.015   3228.15   191.760   3202.82   192.953   154.416 4.6364  153.792 4.6841  0.6240692      6.590681 
1 1 1 -16 -8  25 o 15.332  2.7557  32.161    12.721    54.529    17.880    9.2365    18.102    19.820  3.4959  10.845  4.2607  8.974541       5.511360 
1 1 1 -16 -8  26 o 72.033  2.2049  700.671   42.469    740.336   59.696    660.021   60.432    74.117  3.0070  69.949  3.2255  4.168686       4.409757 
1 1 1 -16 -8  27 o 91.654  2.4087  1135.85   59.117    1140.56   82.804    1130.95   84.428    91.858  3.3655  91.449  3.4468  0.4081573      4.817339 
1 1 1 -16 -8  28 o 118.417 2.7945  1908.20   88.534    1981.51   124.059   1832.11   126.385   120.789 3.8345  116.046 4.0661  4.743286       5.588989 
1 1 1 -16 -8  29 o 72.270  2.0967  704.307   40.463    730.428   60.011    682.531   54.793    73.476  3.0493  71.065  2.8786  2.410576       4.193354 
1 1 1 -16 -8  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -8  31 o 51.314  1.9844  351.954   26.949    404.827   41.417    313.133   35.489    54.605  2.8416  48.023  2.7708  6.582104       3.968872 
1 1 1 -16 -8  32 o 15.195  2.7651  34.145    11.204    25.525    18.966    38.766    13.886    13.784  4.4829  16.606  3.2382  -2.821971      5.530183 
1 1 1 -16 -8  33 o 54.990  2.0773  413.310   30.183    399.957   45.767    423.587   40.152    54.089  3.1729  55.891  2.6821  -1.802280      4.154644 
1 1 1 -16 -8  34 o 18.960  2.7800  58.500    13.574    25.528    22.059    78.595    17.221    14.022  4.8379  23.898  2.7399  -9.875772      5.559914 
1 1 1 -16 -8  35 o 13.899  2.9600  26.948    11.591    27.922    19.440    26.411    14.438    14.185  4.5316  13.614  3.8095  0.5702591      5.920044 
1 1 1 -16 -8  36 o 22.166  2.7996  74.783    15.126    55.016    24.586    86.821    19.187    19.315  4.7785  25.016  2.9183  -5.701172      5.599192 
1 1 1 -16 -8  37 o 29.578  2.5560  127.463   18.768    108.230   30.125    139.662   23.992    27.389  4.2438  31.768  2.8500  -4.378906      5.111933 
1 1 1 -16 -8  38 o 27.078  2.5686  103.153   17.521    109.901   29.115    99.322    21.938    27.571  4.0645  26.584  3.1417  0.9864731      5.137169 
1 1 1 -16 -8  39 o 30.407  2.8050  133.406   22.246    144.620   32.775    123.825   30.292    31.606  3.9583  29.207  3.9754  2.398556       5.609978 
1 1 1 -16 -8  40 o 26.283  2.7058  93.866    17.825    131.048   30.478    74.536    21.975    29.993  3.8851  22.573  3.7673  7.419580       5.411689 
1 1 1 -16 -8  41 o 9.2529  2.8115  0.1721    11.438    9.2416    21.415    -3.4476   13.529    10.980  4.5195  7.5255  3.3454  3.454972       5.622929 
1 1 1 -16 -8  42 o 20.313  3.2601  69.307    17.175    44.706    28.907    82.731    21.353    16.766  5.5386  23.861  3.4405  -7.095747      6.520178 
1 1 1 -16 -8  43 o 36.643  2.5389  183.085   23.612    245.881   41.080    152.106   28.854    40.880  3.7951  32.406  3.3737  8.473656       5.077822 
1 1 1 -16 -8  44 o 22.337  3.4337  79.961    18.649    81.153    33.946    79.446    22.319    21.694  5.7494  22.981  3.7556  -1.287169      6.867320 
1 1 1 -16 -8  45 o 28.184  3.1811  129.721   21.402    115.950   36.657    136.842   26.361    25.956  5.4464  30.411  3.2886  -4.454361      6.362230 
1 1 1 -16 -7  1  o 182.918 3.6784  4503.75   180.220   4539.20   255.378   4468.58   254.364   183.637 5.1920  182.199 5.2122  1.437546       7.356884 
1 1 1 -16 -7  2  o 240.757 4.6421  7825.20   299.350   7848.49   423.848   7802.01   422.842   241.115 6.5629  240.399 6.5668  0.7160950      9.284135 
1 1 1 -16 -7  3  o 146.924 3.0131  2900.86   118.568   2864.97   167.799   2936.66   167.561   146.013 4.2905  147.836 4.2316  -1.822327      6.026188 
1 1 1 -16 -7  4  o 148.813 3.0444  2975.93   121.343   2951.91   171.556   2999.98   171.655   148.210 4.3215  149.416 4.2891  -1.205597      6.088710 
1 1 1 -16 -7  5  o 108.077 2.3965  1568.20   69.345    1612.67   97.750    1523.15   98.391    109.624 3.3291  106.530 3.4482  3.094116       4.793022 
1 1 1 -16 -7  6  o 119.748 2.6039  1925.11   83.516    1916.77   117.621   1933.60   118.604   119.487 3.6752  120.010 3.6897  -0.5222702     5.207774 
1 1 1 -16 -7  7  o 48.855  1.7425  320.679   22.741    328.593   31.797    312.393   32.535    49.508  2.3979  48.203  2.5288  1.304699       3.484913 
1 1 1 -16 -7  8  o 112.739 2.4600  1706.11   74.267    1661.36   104.911   1751.07   105.149   111.253 3.5206  114.224 3.4368  -2.970139      4.920027 
1 1 1 -16 -7  9  o 68.344  1.8802  626.340   34.411    644.741   48.861    608.233   48.470    69.341  2.6308  67.347  2.6870  1.993607       3.760454 
1 1 1 -16 -7  10 o 262.335 5.0051  9301.19   351.689   9272.91   497.779   9329.38   496.948   261.931 7.0951  262.739 7.0615  -0.8076782     10.01029 
1 1 1 -16 -7  11 f 131.725 2.7748  2330.13   97.895    2360.71   139.194   2300.20   137.708   132.580 3.9197  130.869 3.9285  1.711029       5.549546 
1 1 1 -16 -7  12 o 154.995 3.1078  3228.65   128.979   3339.06   183.349   3120.48   181.474   157.625 4.3427  152.366 4.4467  5.259216       6.215514 
1 1 1 -16 -7  13 o 34.734  1.8544  162.027   17.088    175.426   25.104    150.459   23.327    36.075  2.6158  33.393  2.6293  2.681526       3.708882 
1 1 1 -16 -7  14 o 123.566 2.7199  2052.72   89.918    1954.12   127.793   2149.40   126.544   120.615 3.9557  126.518 3.7342  -5.903427      5.439816 
1 1 1 -16 -7  15 o 154.631 3.1828  3216.30   131.762   3116.17   186.923   3315.20   185.761   152.226 4.5844  157.035 4.4164  -4.809280      6.365644 
1 1 1 -16 -7  16 o 196.086 3.9250  5182.45   206.108   5083.83   292.029   5280.33   290.935   194.213 5.6138  197.959 5.4870  -3.746063      7.849958 
1 1 1 -16 -7  17 o 122.689 2.7616  2022.98   90.730    1988.43   128.983   2056.83   127.651   121.646 3.9586  123.732 3.8517  -2.085480      5.523242 
1 1 1 -16 -7  18 o 121.146 2.7488  1972.68   89.179    1939.30   126.566   2005.59   125.676   120.123 3.9337  122.169 3.8406  -2.045860      5.497672 
1 1 1 -16 -7  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -7  20 o 82.172  2.8288  908.783   57.439    907.214   69.168    912.269   103.100   82.193  3.1418  82.152  4.7051  0.4163361E-01  5.657619 
1 1 1 -16 -7  21 o 149.809 3.1980  3025.89   128.253   3138.97   181.370   2912.80   181.383   152.627 4.4366  146.990 4.6070  5.636444       6.395905 
1 1 1 -16 -7  22 o 157.226 3.3236  3337.30   139.943   3395.14   197.502   3278.98   198.318   158.607 4.6490  155.844 4.7510  2.763535       6.647168 
1 1 1 -16 -7  23 o 77.666  2.2298  811.116   46.385    809.659   65.265    812.604   65.936    77.597  3.1401  77.735  3.1668  -0.1382828     4.459699 
1 1 1 -16 -7  24 o 172.169 3.5909  4019.85   165.546   4110.21   233.268   3928.17   234.975   174.151 5.0008  170.188 5.1547  3.963043       7.181876 
1 1 1 -16 -7  25 o 55.170  2.0737  410.606   30.527    400.100   42.779    421.507   43.576    54.448  2.9443  55.893  2.9209  -1.444954      4.147343 
1 1 1 -16 -7  26 o 96.571  2.4641  1258.77   63.727    1245.02   89.167    1273.12   91.112    96.037  3.4664  97.106  3.5030  -1.069763      4.928180 
1 1 1 -16 -7  27 o 43.650  1.9552  260.163   22.408    241.040   33.947    274.927   29.829    42.167  3.0258  45.133  2.4770  -2.966049      3.910363 
1 1 1 -16 -7  28 o 76.568  2.1392  790.113   43.769    815.582   64.522    768.402   59.572    77.693  3.1006  75.444  2.9480  2.248718       4.278345 
1 1 1 -16 -7  29 o 23.392  2.2360  72.025    13.295    98.448    21.391    55.393    16.972    26.815  3.0316  19.969  3.2876  6.846127       4.471961 
1 1 1 -16 -7  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -7  31 o 43.590  2.0035  259.240   22.972    251.895   35.079    264.755   30.397    42.990  3.0665  44.189  2.5794  -1.199505      4.007087 
1 1 1 -16 -7  32 o 37.700  2.0469  188.726   20.232    231.490   31.776    159.569   26.238    41.216  2.8967  34.184  2.8928  7.032116       4.093816 
1 1 1 -16 -7  33 o 51.606  2.0248  356.008   27.614    422.344   42.539    307.694   36.303    55.697  2.8611  47.516  2.8658  8.180782       4.049561 
1 1 1 -16 -7  34 f 54.772  2.0606  402.617   29.926    469.197   45.822    353.096   39.518    58.701  2.9143  50.844  2.9139  7.856411       4.121197 
1 1 1 -16 -7  35 o 15.636  2.9247  32.850    12.215    46.574    20.323    25.088    15.283    17.932  4.2890  13.341  3.9773  4.590405       5.849365 
1 1 1 -16 -7  36 o 61.149  2.1998  515.152   35.541    510.031   54.290    518.992   47.016    60.716  3.3513  61.581  2.8504  -0.8654137     4.399546 
1 1 1 -16 -7  37 o 16.250  3.1241  37.698    13.513    43.193    22.712    34.687    16.813    17.079  4.7774  15.420  4.0269  1.659029       6.248204 
1 1 1 -16 -7  38 o 18.307  2.9801  45.072    14.124    71.502    23.885    30.862    17.514    22.092  4.1898  14.522  4.2389  7.570035       5.960124 
1 1 1 -16 -7  39 o 30.971  4.1755  140.050   33.755    140.050   33.755    0.0000    0.0000    30.971  4.1755  ?       ?       ?              ?        
1 1 1 -16 -7  40 o 39.381  2.5650  231.959   24.977    187.628   40.400    259.387   31.777    35.638  4.3206  43.124  2.7656  -7.486309      5.129929 
1 1 1 -16 -7  41 o 11.319  3.1115  10.391    12.506    25.826    23.728    4.4541    14.715    13.678  4.9869  8.9605  3.7224  4.717238       6.223005 
1 1 1 -16 -7  42 o 12.519  3.1887  11.801    13.826    42.798    25.265    -1.4505   16.519    16.474  5.1541  8.5630  3.7559  7.911036       6.377414 
1 1 1 -16 -7  43 o 20.627  3.3770  69.116    17.642    60.531    30.490    73.437    21.631    19.059  5.6017  22.196  3.7734  -3.137825      6.754038 
1 1 1 -16 -7  44 o 21.291  3.4199  82.062    18.667    48.967    33.675    96.743    22.428    16.911  5.9683  25.671  3.3409  -8.760773      6.839744 
1 1 1 -16 -7  45 o 11.343  3.3195  11.149    14.852    23.600    28.580    6.5429    17.384    13.119  5.2869  9.5674  4.0156  3.551702       6.639016 
1 1 1 -16 -6  1  o 18.497  2.0908  47.356    9.8544    36.499    13.736    58.871    14.146    16.202  3.2777  20.792  2.5967  -4.590155      4.181613 
1 1 1 -16 -6  2  o 85.240  2.0920  974.649   47.764    976.685   67.521    972.610   67.577    85.330  2.9543  85.151  2.9629  0.1786041      4.184075 
1 1 1 -16 -6  3  f 299.940 5.6406  12187.94  453.135   12068.85  641.030   12306.89  640.630   298.457 8.0188  301.422 7.9349  -2.965118      11.28111 
1 1 1 -16 -6  4  o 220.631 4.2506  6561.75   251.183   6492.31   355.155   6631.24   355.298   219.456 6.0420  221.806 5.9804  -2.350357      8.501233 
1 1 1 -16 -6  5  o 139.509 2.9301  2614.50   109.482   2575.86   154.420   2653.55   155.246   138.471 4.1635  140.548 4.1239  -2.076782      5.860117 
1 1 1 -16 -6  6  o 128.005 2.6915  2200.19   92.275    2220.30   130.162   2179.88   130.834   128.595 3.7790  127.414 3.8337  1.180672       5.383076 
1 1 1 -16 -6  7  o 212.917 4.0961  6107.65   233.597   6072.12   330.223   6143.25   330.490   212.294 5.8074  213.540 5.7782  -1.246109      8.192238 
1 1 1 -16 -6  8  o 264.375 5.0108  9445.66   354.750   9683.22   502.043   9208.77   501.342   267.723 7.0011  261.026 7.1707  6.696777       10.02168 
1 1 1 -16 -6  9  o 176.700 3.4854  4199.66   164.955   4236.65   233.785   4162.98   232.782   177.476 4.9180  175.923 4.9401  1.553131       6.970757 
1 1 1 -16 -6  10 o 106.134 2.3742  1511.86   67.482    1499.29   96.121    1524.07   94.761    105.697 3.3952  106.572 3.3197  -0.8747940     4.748471 
1 1 1 -16 -6  11 o 92.067  2.1760  1136.93   53.541    1241.57   76.666    1037.31   74.806    96.207  2.9752  87.928  3.1763  8.278961       4.352047 
1 1 1 -16 -6  12 o 116.049 2.5295  1809.10   78.570    1748.28   111.826   1868.39   110.417   114.115 3.6586  117.982 3.4940  -3.867455      5.058996 
1 1 1 -16 -6  13 o 81.528  2.0828  891.708   45.468    887.841   65.090    895.392   63.540    81.354  2.9871  81.703  2.9035  -0.3489532     4.165689 
1 1 1 -16 -6  14 o 179.649 3.6135  4343.60   173.872   4320.83   246.549   4366.14   245.242   179.176 5.1373  180.123 5.0832  -0.9463196     7.227075 
1 1 1 -16 -6  15 o 131.755 2.8777  2333.27   101.508   2264.10   144.145   2401.32   142.969   129.809 4.1458  133.701 3.9923  -3.891647      5.755480 
1 1 1 -16 -6  16 o 74.145  2.0675  737.382   41.042    740.737   58.962    734.229   57.164    74.307  2.9625  73.983  2.8847  0.3238297      4.134973 
1 1 1 -16 -6  17 o 19.698  2.5711  53.911    13.043    50.598    18.792    56.989    18.117    19.073  3.8118  20.324  3.4515  -1.250406      5.142256 
1 1 1 -16 -6  18 o 41.986  1.9812  237.563   22.129    251.469   31.495    224.004   31.100    43.211  2.7353  40.761  2.8668  2.450039       3.962362 
1 1 1 -16 -6  19 o 112.697 2.5961  1706.33   78.363    1701.03   110.855   1711.62   110.789   112.521 3.6782  112.872 3.6646  -0.3508987     5.192111 
1 1 1 -16 -6  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -6  21 f 93.828  2.3797  1183.06   59.801    1191.78   84.201    1174.18   84.945    94.179  3.3379  93.477  3.3927  0.7027054      4.759417 
1 1 1 -16 -6  22 o 94.735  2.4029  1207.41   60.935    1245.26   85.674    1168.65   86.685    96.247  3.3233  93.224  3.4716  3.023514       4.805861 
1 1 1 -16 -6  23 o 102.931 2.5027  1425.81   68.984    1422.83   96.523    1428.91   98.627    102.826 3.5046  103.036 3.5737  -0.2096558     5.005372 
1 1 1 -16 -6  24 o 107.223 2.6103  1550.47   74.908    1596.69   104.998   1502.56   106.899   108.868 3.6007  105.578 3.7801  3.289444       5.220620 
1 1 1 -16 -6  25 o 91.949  2.3300  1143.62   57.132    1067.96   82.915    1212.02   78.832    89.010  3.4778  94.887  3.1018  -5.876556      4.660041 
1 1 1 -16 -6  26 o 39.624  1.8925  209.407   19.834    239.754   30.166    186.298   26.324    42.130  2.6873  37.119  2.6655  5.011013       3.784998 
1 1 1 -16 -6  27 o 34.089  1.9562  157.507   17.541    157.859   26.687    157.240   23.274    34.094  2.9515  34.084  2.5682  0.1005936E-01  3.912431 
1 1 1 -16 -6  28 o 94.022  2.3990  1199.09   60.223    1152.84   87.681    1240.39   82.860    92.257  3.5483  95.788  3.2296  -3.531425      4.797968 
1 1 1 -16 -6  29 f 89.318  2.3426  1084.79   55.785    1028.43   81.544    1134.36   76.484    87.071  3.4965  91.565  3.1185  -4.493790      4.685130 
1 1 1 -16 -6  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -6  31 o 45.764  1.9898  281.668   24.124    310.409   36.687    259.777   32.019    47.793  2.8794  43.736  2.7472  4.056404       3.979692 
1 1 1 -16 -6  32 o 40.650  2.0327  221.632   21.798    252.835   33.639    199.047   28.619    43.075  2.9331  38.224  2.8151  4.850960       4.065428 
1 1 1 -16 -6  33 o 59.014  2.0728  469.407   32.518    513.906   49.397    435.375   43.199    61.475  2.9999  56.553  2.8612  4.921894       4.145588 
1 1 1 -16 -6  34 o 26.306  2.3478  93.695    15.805    107.086   25.817    85.668    19.989    27.725  3.5587  24.887  3.0634  2.838156       4.695626 
1 1 1 -16 -6  35 o 49.368  2.1146  331.703   27.525    350.995   42.644    317.927   36.037    50.523  3.1672  48.213  2.8026  2.310287       4.229213 
1 1 1 -16 -6  36 o 18.059  3.0418  48.752    14.184    41.644    23.640    52.750    17.730    16.880  4.9242  19.238  3.5723  -2.357950      6.083502 
1 1 1 -16 -6  37 o 42.341  2.2643  250.014   24.775    245.242   39.677    253.063   31.718    41.818  3.5767  42.865  2.7775  -1.046783      4.528515 
1 1 1 -16 -6  38 o 45.313  2.2994  286.556   27.124    289.869   43.039    284.372   34.934    45.334  3.5735  45.293  2.8947  0.4084015E-01  4.598846 
1 1 1 -16 -6  39 o 43.829  3.7005  274.253   43.036    274.253   43.036    0.0000    0.0000    43.829  3.7005  ?       ?       ?              ?        
1 1 1 -16 -6  40 f 25.103  2.8835  92.170    17.634    95.495    30.674    90.528    21.552    25.043  4.7467  25.162  3.2754  -0.1199493     5.767086 
1 1 1 -16 -6  41 o 8.8875  2.7765  -0.9317   12.017    -9.2184   23.220    2.0996    14.044    9.3399  4.2463  8.4352  3.5784  0.9047585      5.552996 
1 1 1 -16 -6  42 o 21.659  3.1711  66.524    16.993    92.183    30.072    54.487    20.596    24.385  4.7752  18.933  4.1737  5.451260       6.342119 
1 1 1 -16 -6  43 f 16.719  3.4885  47.128    16.958    30.115    31.095    54.330    20.232    14.605  5.6271  18.834  4.1247  -4.229266      6.976918 
1 1 1 -16 -6  44 o 25.749  3.1965  95.696    20.277    135.924   35.962    76.945    24.552    29.267  4.7504  22.231  4.2785  7.036036       6.393094 
1 1 1 -16 -6  45 o 16.776  3.1754  52.891    17.790    4.1131    31.872    74.965    21.440    11.480  5.1169  22.072  3.7616  -10.59206      6.350715 
1 1 1 -16 -5  1  o 54.067  1.7601  392.094   25.479    402.580   35.888    381.438   36.177    54.797  2.4451  53.337  2.5323  1.460377       3.520147 
1 1 1 -16 -5  2  o 137.042 2.8390  2522.63   104.199   2484.94   147.474   2560.21   147.246   136.017 4.0479  138.068 3.9816  -2.051102      5.677954 
1 1 1 -16 -5  3  o 228.023 4.4349  7013.49   270.763   6794.24   382.930   7232.70   382.905   224.434 6.3700  231.613 6.1722  -7.179108      8.869797 
1 1 1 -16 -5  4  o 219.207 4.2189  6475.87   247.679   6356.01   350.068   6596.01   350.474   217.164 6.0183  221.250 5.9140  -4.086075      8.437767 
1 1 1 -16 -5  5  o 93.912  2.2121  1184.16   55.587    1240.81   78.396    1126.88   78.829    96.177  3.0432  91.647  3.2113  4.530197       4.424186 
1 1 1 -16 -5  6  o 197.393 3.8481  5245.37   203.434   5160.05   287.569   5330.85   287.831   195.778 5.4839  199.008 5.3998  -3.229385      7.696169 
1 1 1 -16 -5  7  o 260.504 4.9294  9166.14   343.899   9363.12   486.688   8969.70   486.007   263.322 6.9004  257.686 7.0414  5.635315       9.858878 
1 1 1 -16 -5  8  o 57.800  1.7526  448.174   27.115    437.618   38.748    458.305   37.958    57.131  2.5321  58.469  2.4238  -1.337543      3.505193 
1 1 1 -16 -5  9  o 278.703 5.2728  10505.00  393.600   10429.37  557.316   10580.27  555.956   277.689 7.4930  279.717 7.4205  -2.028168      10.54553 
1 1 1 -16 -5  10 o 96.859  2.2389  1258.54   58.079    1268.27   82.879    1249.14   81.412    97.227  3.1825  96.492  3.1500  0.7341156      4.477797 
1 1 1 -16 -5  11 o 103.484 2.3676  1437.87   65.588    1399.66   93.438    1474.98   92.087    102.124 3.4159  104.844 3.2792  -2.720261      4.735126 
1 1 1 -16 -5  12 o 187.167 3.6644  4714.44   183.701   4742.58   260.502   4686.59   259.088   187.723 5.1809  186.611 5.1835  1.111877       7.328715 
1 1 1 -16 -5  13 o 39.119  1.8423  206.960   19.094    195.352   27.928    217.148   26.165    38.066  2.7578  40.171  2.4434  -2.104214      3.684516 
1 1 1 -16 -5  14 o 33.145  2.0189  151.069   17.382    122.570   25.221    176.850   23.989    30.057  3.1812  36.233  2.4869  -6.176043      4.037888 
1 1 1 -16 -5  15 o 134.743 2.8315  2438.77   102.175   2498.03   145.084   2380.46   143.918   136.371 3.9720  133.116 4.0364  3.254578       5.662992 
1 1 1 -16 -5  16 o 42.416  1.9592  242.407   22.118    240.477   31.861    244.202   30.730    42.247  2.8320  42.586  2.7081  -0.3382988     3.918463 
1 1 1 -16 -5  17 o 141.134 3.0081  2677.47   113.698   2732.23   160.978   2622.95   160.610   142.579 4.2153  139.689 4.2926  2.889740       6.016219 
1 1 1 -16 -5  18 o 32.112  2.1058  139.663   17.870    129.704   25.185    149.760   25.359    30.937  3.0802  33.288  2.8723  -2.350801      4.211665 
1 1 1 -16 -5  19 o 109.140 2.5397  1600.26   74.229    1626.27   104.575   1573.85   105.380   110.038 3.5481  108.243 3.6347  1.795616       5.079375 
1 1 1 -16 -5  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -5  21 o 79.704  2.9531  879.151   56.829    912.321   68.050    802.704   103.309   82.426  3.0823  76.982  5.0380  5.443298       5.906151 
1 1 1 -16 -5  22 o 67.297  2.4602  594.943   42.424    560.140   52.315    661.782   72.500    64.576  3.0246  70.017  3.8810  -5.441368      4.920418 
1 1 1 -16 -5  23 o 83.314  2.2347  938.362   49.581    861.766   72.050    1007.26   68.334    80.045  3.3605  86.582  2.9466  -6.536545      4.469401 
1 1 1 -16 -5  24 o 197.099 3.9269  5272.87   207.292   5349.81   295.554   5198.37   290.812   198.512 5.5586  195.686 5.5483  2.825150       7.853765 
1 1 1 -16 -5  25 o 89.420  2.2670  1074.38   54.235    1123.94   79.050    1030.31   74.547    91.360  3.2304  87.480  3.1815  3.880791       4.534043 
1 1 1 -16 -5  26 o 40.852  1.9472  226.790   20.950    216.451   31.617    234.882   27.972    39.983  2.9735  41.722  2.5148  -1.738258      3.894400 
1 1 1 -16 -5  27 o 76.560  2.1512  792.212   43.945    767.700   64.455    813.505   60.072    75.425  3.1904  77.696  2.8866  -2.270950      4.302480 
1 1 1 -16 -5  28 o 65.972  2.1465  598.312   37.191    504.963   54.764    678.213   50.666    61.007  3.3644  70.938  2.6665  -9.931271      4.293005 
1 1 1 -16 -5  29 o 27.467  2.1522  103.668   15.271    100.798   23.767    105.686   19.928    27.077  3.3484  27.857  2.7049  -0.7794704     4.304479 
1 1 1 -16 -5  30 o 57.245  4.2031  450.451   63.996    0.0000    0.0000    450.451   63.996    ?       ?       57.245  4.2031  ?              ?        
1 1 1 -16 -5  31 o 98.189  2.4594  1309.79   64.564    1351.83   94.754    1273.36   88.211    99.623  3.5510  96.754  3.4038  2.868797       4.918870 
1 1 1 -16 -5  32 o 39.240  2.2111  217.964   22.111    173.898   33.920    250.527   29.158    35.512  3.6165  42.968  2.5449  -7.455669      4.422118 
1 1 1 -16 -5  33 o 64.985  2.1234  569.782   36.746    615.442   55.724    534.652   48.878    67.240  3.0940  62.730  2.9090  4.509758       4.246831 
1 1 1 -16 -5  34 o 37.686  2.2198  199.087   21.504    176.333   33.602    214.869   27.985    35.677  3.5641  39.696  2.6472  -4.019794      4.439592 
1 1 1 -16 -5  35 o 17.185  2.9445  42.412    12.963    43.013    21.979    42.092    16.052    17.200  4.6566  17.170  3.6051  0.2988052E-01  5.889019 
1 1 1 -16 -5  36 o 55.857  2.2062  430.049   32.397    430.721   50.213    429.570   42.404    55.758  3.3781  55.957  2.8385  -0.1990242     4.412336 
1 1 1 -16 -5  37 o 37.234  2.2509  188.860   21.739    212.293   35.349    174.607   27.569    38.955  3.4226  35.513  2.9243  3.442162       4.501709 
1 1 1 -16 -5  38 o 31.662  2.4843  142.885   19.710    138.499   32.832    145.357   24.646    30.997  4.0514  32.326  2.8765  -1.329279      4.968697 
1 1 1 -16 -5  39 o 54.081  2.6413  416.511   37.965    400.262   51.927    435.171   55.647    52.994  3.6811  55.167  3.7889  -2.173397      5.282679 
1 1 1 -16 -5  40 o 41.848  2.4653  254.922   26.061    231.526   42.537    268.981   32.973    39.825  4.0438  43.870  2.8211  -4.044487      4.930576 
1 1 1 -16 -5  41 o 14.679  3.0717  34.921    14.670    5.0585    26.215    48.536    17.701    11.295  4.8428  18.062  3.7802  -6.767083      6.143498 
1 1 1 -16 -5  42 o 37.402  2.5036  193.249   23.966    239.812   40.682    168.501   29.658    40.515  3.7930  34.290  3.2687  6.224251       5.007113 
1 1 1 -16 -5  43 o 30.797  2.8725  138.127   21.934    156.407   38.182    129.122   26.797    31.822  4.6142  29.772  3.4226  2.049850       5.745005 
1 1 1 -16 -5  44 o 29.140  3.0821  130.619   21.611    134.791   38.232    128.661   26.198    28.695  5.1641  29.585  3.3660  -0.8899307     6.164260 
1 1 1 -16 -4  1  o 311.958 8.5450  13378.33  713.375   12816.15  1012.42   13932.67  1005.35   305.248 12.383  318.667 11.778  -13.41855      17.08995 
1 1 1 -16 -4  2  o 122.078 3.4203  2044.28   102.798   1899.60   183.031   2110.94   124.244   118.756 5.7541  125.399 3.6991  -6.642403      6.840548 
1 1 1 -16 -4  3  o 241.368 4.5783  7862.32   295.744   7493.51   418.091   8231.67   418.399   235.660 6.6236  247.076 6.3222  -11.41653      9.156594 
1 1 1 -16 -4  4  o 115.297 3.0879  1756.24   89.635    1872.84   158.518   1701.43   108.677   118.003 5.0153  112.590 3.6037  5.413719       6.175755 
1 1 1 -16 -4  5  o 179.339 7.1031  4344.11   341.202   0.0000    0.0000    4344.11   341.202   ?       ?       179.339 7.1031  ?              ?        
1 1 1 -16 -4  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -4  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -4  8  o 231.890 4.3825  7250.65   272.038   7564.78   385.653   6939.54   383.794   236.919 6.0773  226.860 6.3161  10.05899       8.765071 
1 1 1 -16 -4  9  o 212.832 4.0679  6101.04   231.892   6169.25   328.628   6033.40   327.265   214.020 5.7327  211.643 5.7731  2.377899       8.135873 
1 1 1 -16 -4  10 o 84.455  2.0753  957.162   46.918    936.823   67.011    976.722   65.713    83.572  2.9936  85.338  2.8749  -1.766327      4.150537 
1 1 1 -16 -4  11 o 178.549 3.5559  4290.12   169.994   4169.20   240.986   4409.88   239.834   176.031 5.1111  181.067 4.9452  -5.036514      7.111828 
1 1 1 -16 -4  12 o 141.379 2.9730  2685.54   112.574   2674.79   159.874   2696.11   158.542   141.096 4.2303  141.663 4.1783  -0.5669708     5.945935 
1 1 1 -16 -4  13 o 200.916 3.9688  5437.37   213.580   5461.07   302.625   5413.84   301.473   201.352 5.6113  200.479 5.6142  0.8733673      7.937623 
1 1 1 -16 -4  14 f 97.070  2.3423  1264.38   60.896    1274.44   86.769    1254.61   85.485    97.450  3.3243  96.690  3.3008  0.7596359      4.684652 
1 1 1 -16 -4  15 o 145.630 3.0641  2850.39   119.517   2875.27   169.208   2825.61   168.839   146.266 4.3190  144.994 4.3474  1.272156       6.128150 
1 1 1 -16 -4  16 o 100.419 2.3960  1353.49   64.445    1357.01   91.068    1349.97   91.211    100.550 3.3814  100.288 3.3955  0.2621613      4.792003 
1 1 1 -16 -4  17 o 59.600  1.9902  476.652   31.755    492.865   44.857    460.363   44.961    60.619  2.7627  58.582  2.8654  2.036205       3.980311 
1 1 1 -16 -4  18 o 157.996 3.3094  3359.13   140.018   3426.57   197.458   3290.92   198.577   159.601 4.6190  156.391 4.7405  3.209518       6.618773 
1 1 1 -16 -4  19 o 63.137  2.0524  534.522   34.659    495.732   48.359    575.492   49.699    60.781  2.9705  65.494  2.8331  -4.713120      4.104874 
1 1 1 -16 -4  20 o 188.365 3.7562  4784.19   189.500   4821.86   270.028   4747.63   266.005   189.091 5.3315  187.639 5.2927  1.451675       7.512488 
1 1 1 -16 -4  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -4  22 o 62.278  1.9612  517.952   32.432    610.345   47.826    439.288   44.130    67.433  2.6479  57.123  2.8937  10.30979       3.922322 
1 1 1 -16 -4  23 o 62.308  2.0051  523.757   33.281    494.929   48.853    548.724   45.464    60.689  3.0053  63.926  2.6552  -3.236717      4.010243 
1 1 1 -16 -4  24 o 64.431  2.0446  561.595   35.044    515.893   51.250    601.726   48.025    61.937  3.0893  66.925  2.6791  -4.988720      4.089187 
1 1 1 -16 -4  25 o 116.394 2.6405  1826.16   82.272    1863.83   118.781   1791.42   114.063   117.538 3.7729  115.249 3.6950  2.288727       5.280936 
1 1 1 -16 -4  26 o 118.576 2.6865  1898.61   85.272    1934.59   123.153   1865.47   118.186   119.643 3.8430  117.510 3.7550  2.132759       5.372928 
1 1 1 -16 -4  27 o 46.772  1.9398  290.692   23.918    359.372   36.320    238.100   31.782    51.601  2.6366  41.943  2.8459  9.658081       3.879548 
1 1 1 -16 -4  28 o 66.889  2.1075  606.528   37.516    577.641   55.508    630.819   50.902    65.382  3.1696  68.396  2.7786  -3.013840      4.215096 
1 1 1 -16 -4  29 o 23.258  2.4521  79.921    13.822    55.143    21.472    97.456    18.063    19.750  4.1888  26.765  2.5504  -7.015320      4.904190 
1 1 1 -16 -4  30 o 10.137  4.3678  -1.3933   21.523    0.0000    0.0000    -1.3933   21.523    ?       ?       10.137  4.3678  ?              ?        
1 1 1 -16 -4  31 o 62.678  2.0775  529.101   34.706    563.565   52.293    501.970   46.396    64.468  3.0284  60.888  2.8449  3.580769       4.155048 
1 1 1 -16 -4  32 o 19.222  2.7236  53.366    13.073    47.793    21.557    56.608    16.442    18.264  4.4480  20.179  3.1444  -1.915182      5.447194 
1 1 1 -16 -4  33 o 68.280  2.1518  628.469   39.124    689.422   59.388    581.732   52.004    71.151  3.1162  65.409  2.9683  5.742569       4.303693 
1 1 1 -16 -4  34 o 55.264  2.1344  417.046   31.105    421.769   47.863    413.593   40.926    55.450  3.2367  55.078  2.7832  0.3716049      4.268727 
1 1 1 -16 -4  35 o 69.932  2.2338  667.927   41.509    689.369   63.200    651.661   55.045    70.825  3.3315  69.039  2.9767  1.786652       4.467625 
1 1 1 -16 -4  36 o 56.213  2.2131  436.254   32.705    433.910   50.603    437.937   42.858    55.939  3.3934  56.487  2.8418  -0.5476723     4.426110 
1 1 1 -16 -4  37 o 35.566  2.3729  177.223   21.621    176.100   35.061    177.912   27.464    35.277  3.7689  35.856  2.8841  -0.5784073     4.745790 
1 1 1 -16 -4  38 o 46.189  2.8699  306.649   30.715    302.859   59.323    308.037   35.902    45.237  4.9784  47.141  2.8569  -1.903709      5.739844 
1 1 1 -16 -4  39 o 18.635  3.2555  52.358    15.665    53.669    26.356    51.643    19.479    18.610  5.1246  18.660  4.0163  -0.4916000E-01 6.510961 
1 1 1 -16 -4  40 o 33.111  2.4850  150.130   21.045    188.521   35.471    129.277   26.143    36.121  3.7194  30.101  3.2964  6.020639       4.969955 
1 1 1 -16 -4  41 o 31.546  2.7524  144.700   21.632    149.962   36.721    141.903   26.771    31.563  4.4684  31.530  3.2149  0.3315353E-01  5.504745 
1 1 1 -16 -4  42 o 27.957  3.2723  129.443   21.200    92.096    36.302    148.773   26.117    23.586  5.7892  32.328  3.0523  -8.741377      6.544577 
1 1 1 -16 -4  43 o 45.744  2.6400  309.310   30.419    302.241   51.006    313.212   37.897    44.645  4.3193  46.843  3.0368  -2.197876      5.280014 
1 1 1 -16 -4  44 o 29.069  3.0917  126.699   21.836    147.636   39.196    117.277   26.294    30.106  5.0388  28.031  3.5841  2.075027       6.183485 
1 1 1 -16 -3  1  o 249.535 4.7608  8405.46   318.106   8170.05   449.972   8640.66   449.768   246.014 6.8287  253.056 6.6356  -7.041992      9.521681 
1 1 1 -16 -3  2  o 206.514 4.0245  5742.81   222.606   5702.23   315.003   5783.29   314.622   205.781 5.7151  207.248 5.6677  -1.466858      8.048921 
1 1 1 -16 -3  3  o 124.265 2.6897  2074.31   89.440    1971.27   126.508   2177.28   126.467   121.170 3.8979  127.360 3.7073  -6.189774      5.379363 
1 1 1 -16 -3  4  f 19.173  1.7796  50.240    8.8710    44.742    12.494    55.830    12.598    18.075  2.6602  20.271  2.3647  -2.196064      3.559262 
1 1 1 -16 -3  5  o 256.632 4.8802  8889.27   335.455   8874.95   474.745   8903.55   474.065   256.423 6.9122  256.841 6.8910  -0.4188843     9.760345 
1 1 1 -16 -3  6  o 247.341 4.7059  8253.01   311.738   8390.74   441.558   8116.13   440.175   249.411 6.6097  245.271 6.7002  4.139420       9.411777 
1 1 1 -16 -3  7  o 139.389 2.8718  2609.40   107.210   2584.87   152.126   2633.60   151.115   138.736 4.0938  140.043 4.0286  -1.307510      5.743612 
1 1 1 -16 -3  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -3  10 o 91.933  2.1516  1133.53   52.973    1143.74   75.664    1123.72   74.189    92.338  3.0593  91.528  3.0262  0.8099594      4.303116 
1 1 1 -16 -3  11 o 68.500  1.9662  629.224   36.061    630.825   51.761    627.714   50.268    68.584  2.8177  68.417  2.7431  0.1668167      3.932415 
1 1 1 -16 -3  12 o 40.391  1.7658  219.230   18.994    228.611   27.529    210.706   26.241    41.217  2.5055  39.565  2.4889  1.651913       3.531563 
1 1 1 -16 -3  13 o 104.696 2.4137  1471.05   67.675    1508.95   96.082    1433.74   95.337    106.036 3.3830  103.356 3.4438  2.680176       4.827466 
1 1 1 -16 -3  14 o 208.038 4.0838  5832.32   227.558   5844.41   321.744   5820.22   321.888   208.256 5.7680  207.821 5.7826  0.4347839      8.167540 
1 1 1 -16 -3  15 o 127.425 2.8088  2181.46   95.849    2221.95   135.205   2140.56   135.899   128.619 3.9246  126.232 4.0194  2.386452       5.617653 
1 1 1 -16 -3  16 o 179.407 3.6132  4332.14   173.614   4253.56   244.745   4411.72   246.317   177.765 5.1402  181.050 5.0793  -3.285446      7.226431 
1 1 1 -16 -3  17 o 84.186  2.1565  948.390   48.508    1047.21   70.432    859.221   66.906    88.350  2.9763  80.021  3.1215  8.328857       4.313046 
1 1 1 -16 -3  18 o 92.880  2.2681  1155.50   56.315    1262.04   81.467    1058.00   77.933    96.976  3.1364  88.783  3.2772  8.193069       4.536156 
1 1 1 -16 -3  19 o 176.312 3.6091  4196.93   169.975   3876.03   241.848   4510.16   238.940   169.592 5.3241  183.032 4.8739  -13.43997      7.218104 
1 1 1 -16 -3  20 o 204.541 4.0014  5645.61   219.194   5773.46   311.979   5520.98   308.033   206.835 5.6313  202.247 5.6863  4.588272       8.002846 
1 1 1 -16 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -3  22 o 68.994  2.0340  637.273   37.527    673.738   55.010    605.531   51.324    70.834  2.8994  67.155  2.8533  3.678307       4.067934 
1 1 1 -16 -3  23 f 78.534  2.1892  833.593   45.782    768.063   66.661    892.101   62.988    75.578  3.2930  81.490  2.8858  -5.912399      4.378488 
1 1 1 -16 -3  24 o 85.839  2.3102  1000.76   52.612    879.591   76.439    1109.83   72.524    80.822  3.5310  90.857  2.9801  -10.03463      4.620492 
1 1 1 -16 -3  25 o 79.479  2.1908  851.475   46.500    832.099   67.995    868.498   63.734    78.611  3.2293  80.346  2.9615  -1.735382      4.381643 
1 1 1 -16 -3  26 o 64.190  2.0089  551.806   34.435    590.374   51.200    519.952   46.530    66.222  2.8865  62.158  2.7948  4.064938       4.017842 
1 1 1 -16 -3  27 o 89.505  2.3178  1080.59   55.455    1097.25   81.286    1066.09   75.846    90.130  3.3671  88.880  3.1860  1.249550       4.635510 
1 1 1 -16 -3  28 o 44.606  1.9725  268.059   23.253    279.288   35.540    259.654   30.747    45.396  2.9387  43.817  2.6321  1.579124       3.945047 
1 1 1 -16 -3  29 o 24.713  2.3857  87.802    14.606    68.844    22.709    101.180   19.076    22.167  3.9706  27.259  2.6460  -5.092402      4.771455 
1 1 1 -16 -3  30 o 29.636  4.7176  123.568   36.193    0.0000    0.0000    123.568   36.193    ?       ?       29.636  4.7176  ?              ?        
1 1 1 -16 -3  31 o 43.185  2.0306  251.518   23.132    268.887   35.689    238.936   30.377    44.431  3.0168  41.940  2.7188  2.491013       4.061127 
1 1 1 -16 -3  32 o 19.529  2.6798  53.420    13.158    55.679    21.501    52.067    16.637    19.769  4.1907  19.288  3.3412  0.4805470      5.359695 
1 1 1 -16 -3  33 o 31.780  2.1979  135.044   18.065    156.721   29.478    122.006   22.862    33.732  3.3052  29.828  2.8981  3.904119       4.395808 
1 1 1 -16 -3  34 o 62.609  2.1621  529.394   35.920    575.573   55.491    496.087   47.126    64.880  3.1931  60.337  2.9160  4.543274       4.324266 
1 1 1 -16 -3  35 o 15.831  3.0400  35.461    12.679    38.251    22.044    34.082    15.499    16.271  4.7575  15.392  3.7857  0.8792095      6.079917 
1 1 1 -16 -3  36 f 44.966  2.2007  274.516   25.920    307.006   41.274    253.357   33.308    47.049  3.2960  42.884  2.9171  4.164764       4.401486 
1 1 1 -16 -3  37 o 13.612  3.1713  24.485    12.700    30.913    22.569    21.506    15.364    14.780  4.8944  12.444  4.0341  2.335574       6.342638 
1 1 1 -16 -3  38 o 12.971  5.4208  10.993    31.474    0.0000    0.0000    10.993    31.474    ?       ?       12.971  5.4208  ?              ?        
1 1 1 -16 -3  39 o 9.2090  2.8156  0.2481    11.645    4.6936    21.624    -1.5676   13.820    10.526  4.4513  7.8925  3.4492  2.633068       5.631281 
1 1 1 -16 -3  40 o 31.749  2.6802  145.137   21.018    150.598   36.411    142.407   25.740    31.777  4.3956  31.721  3.0678  0.5607033E-01  5.360307 
1 1 1 -16 -3  41 o 21.846  3.3291  74.496    17.936    71.119    31.467    76.121    21.829    20.936  5.5293  22.756  3.7091  -1.820505      6.658163 
1 1 1 -16 -3  42 o 49.282  2.5611  352.055   32.149    353.884   53.455    351.018   40.240    48.819  4.1266  49.746  3.0346  -0.9263763     5.122266 
1 1 1 -16 -3  43 o 17.912  3.5402  55.096    17.582    39.447    32.512    61.565    20.903    15.754  5.8225  20.069  4.0287  -4.314068      7.080369 
1 1 1 -16 -3  44 o 11.586  3.3345  15.015    15.183    12.599    28.961    15.931    17.830    12.042  5.1245  11.130  4.2678  0.9122705      6.668952 
1 1 1 -16 -2  1  o 212.984 4.1192  6109.12   234.989   6110.98   332.517   6107.26   332.132   213.016 5.8279  212.952 5.8229  0.6378174E-01  8.238390 
1 1 1 -16 -2  2  o 226.950 4.3792  6941.12   266.200   6894.97   376.845   6987.09   376.083   226.191 6.2201  227.709 6.1661  -1.518295      8.758489 
1 1 1 -16 -2  3  o 82.753  2.0930  918.833   46.370    896.622   66.014    940.464   65.148    81.763  3.0143  83.743  2.9044  -1.979500      4.185905 
1 1 1 -16 -2  4  o 61.388  1.8199  505.061   29.919    517.811   42.731    492.799   41.905    62.148  2.5670  60.628  2.5805  1.519905       3.639847 
1 1 1 -16 -2  5  o 181.184 3.5752  4415.03   173.473   4326.32   245.640   4503.29   245.016   179.359 5.1131  183.008 4.9984  -3.648605      7.150414 
1 1 1 -16 -2  6  o 189.295 3.6816  4819.79   186.665   4811.42   264.347   4828.12   263.624   189.130 5.2183  189.461 5.1949  -0.3315582     7.363222 
1 1 1 -16 -2  7  o 126.183 2.7115  2137.36   91.642    2149.17   130.130   2125.74   129.079   126.528 3.8397  125.838 3.8296  0.6905365      5.423078 
1 1 1 -16 -2  8  o 325.184 6.1767  14339.67  537.983   14295.20  761.375   14384.01  760.273   324.671 8.7552  325.697 8.7150  -1.025482      12.35332 
1 1 1 -16 -2  9  o 96.990  4.3168  1263.76   112.145   0.0000    0.0000    1263.76   112.145   ?       ?       96.990  4.3168  ?              ?        
1 1 1 -16 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -2  11 o 125.123 2.6841  2101.95   89.925    2175.63   127.731   2029.55   126.622   127.301 3.7461  122.945 3.8451  4.355927       5.368253 
1 1 1 -16 -2  12 f 137.127 2.9101  2525.92   106.885   2525.04   151.227   2526.81   151.090   137.103 4.1181  137.152 4.1129  -0.4856873E-01 5.820169 
1 1 1 -16 -2  13 o 181.947 3.6259  4454.95   176.701   4472.59   249.533   4437.22   250.255   182.312 5.1100  181.583 5.1454  0.7283783      7.251729 
1 1 1 -16 -2  14 o 75.697  2.0378  769.219   41.247    756.772   59.838    780.487   56.934    75.109  2.9744  76.285  2.7864  -1.175484      4.075656 
1 1 1 -16 -2  15 o 230.726 4.4881  7188.65   277.162   6912.96   393.462   7460.19   390.488   226.292 6.4915  235.160 6.1995  -8.868225      8.976252 
1 1 1 -16 -2  16 o 189.460 3.7455  4832.43   190.036   4959.60   270.530   4708.56   267.008   191.926 5.2625  186.993 5.3310  4.933640       7.490905 
1 1 1 -16 -2  17 o 131.374 2.8096  2317.25   98.775    2458.45   141.455   2182.90   137.988   135.284 3.9038  127.463 4.0417  7.820618       5.619144 
1 1 1 -16 -2  18 o 280.112 5.3491  10633.55  401.294   10532.97  569.179   10732.96  565.865   278.769 7.6228  281.454 7.5061  -2.685028      10.69811 
1 1 1 -16 -2  19 o 95.985  2.3553  1241.56   60.325    1150.10   86.846    1326.82   83.857    92.544  3.5036  99.426  3.1488  -6.881882      4.710639 
1 1 1 -16 -2  20 o 171.567 3.4608  3964.00   158.889   4203.24   226.886   3733.76   222.580   176.666 4.7948  166.468 4.9919  10.19733       6.921615 
1 1 1 -16 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -2  22 o 122.835 2.7460  2030.18   90.297    2038.10   129.942   2022.78   125.569   123.058 3.9423  122.612 3.8235  0.4455795      5.491904 
1 1 1 -16 -2  23 o 144.087 3.0691  2800.65   118.387   2783.84   169.898   2816.51   165.055   143.649 4.4157  144.526 4.2638  -0.8761749     6.138226 
1 1 1 -16 -2  24 o 37.864  1.9939  192.165   19.964    208.309   30.246    179.702   26.575    39.260  2.8967  36.468  2.7407  2.792015       3.987732 
1 1 1 -16 -2  25 o 33.019  2.2371  157.658   18.126    104.677   27.341    199.211   24.213    27.599  3.7992  38.439  2.3632  -10.83998      4.474198 
1 1 1 -16 -2  26 o 59.949  2.0355  485.960   32.404    470.633   48.251    498.551   43.734    59.025  3.0625  60.873  2.6823  -1.847912      4.071061 
1 1 1 -16 -2  27 o 63.403  2.0299  537.842   34.340    589.991   51.370    495.715   46.171    66.157  2.8990  60.649  2.8422  5.508015       4.059834 
1 1 1 -16 -2  28 o 48.494  2.0605  324.836   26.053    274.508   39.109    364.992   34.933    44.935  3.2719  52.053  2.5056  -7.118324      4.121040 
1 1 1 -16 -2  29 o 24.280  2.2842  81.779    14.104    78.448    22.305    83.998    18.206    23.774  3.6167  24.786  2.7910  -1.011572      4.568433 
1 1 1 -16 -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -2  31 o 17.855  2.6522  45.505    12.008    42.864    19.335    47.164    15.321    17.338  4.2065  18.372  3.2313  -1.034447      5.304317 
1 1 1 -16 -2  32 o 20.723  2.7025  65.303    13.728    43.650    22.015    79.080    17.561    17.448  4.6330  23.997  2.7838  -6.549181      5.404967 
1 1 1 -16 -2  33 o 39.500  2.1279  212.115   21.987    221.613   34.593    205.678   28.478    40.172  3.2426  38.827  2.7563  1.344933       4.255798 
1 1 1 -16 -2  34 o 55.919  2.1217  417.909   31.268    497.516   49.117    363.663   40.545    60.283  3.0519  51.555  2.9484  8.727135       4.243450 
1 1 1 -16 -2  35 o 20.685  2.7611  59.531    14.321    68.367    23.796    54.514    17.932    21.778  4.2319  19.592  3.5478  2.186087       5.522274 
1 1 1 -16 -2  36 o 48.667  2.2041  319.687   28.052    368.522   45.208    289.112   35.771    51.539  3.2920  45.795  2.9316  5.743767       4.408171 
1 1 1 -16 -2  37 o 46.167  2.3390  301.824   27.754    279.719   44.323    316.082   35.596    44.477  3.7556  47.857  2.7890  -3.379440      4.677965 
1 1 1 -16 -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -2  39 o 19.262  3.1592  49.933    15.528    82.174    27.402    34.681    18.847    23.338  4.5469  15.186  4.3872  8.152569       6.318381 
1 1 1 -16 -2  40 o 44.954  2.4204  285.442   27.985    301.778   46.151    275.942   35.194    45.631  3.8109  44.277  2.9850  1.354034       4.840787 
1 1 1 -16 -2  41 o 22.315  3.1045  71.054    17.069    92.536    30.126    60.898    20.714    24.467  4.7683  20.164  3.9767  4.303532       6.208932 
1 1 1 -16 -2  42 o 33.348  3.1925  182.074   24.196    133.357   41.850    206.535   29.654    28.528  5.6767  38.168  2.9229  -9.640345      6.384962 
1 1 1 -16 -2  43 o 18.893  3.0864  41.394    15.788    108.849   30.031    15.631    18.559    26.507  4.3830  11.278  4.3468  15.22887       6.172898 
1 1 1 -16 -2  44 o 18.440  3.6847  53.902    17.619    72.831    33.094    46.414    20.814    20.039  5.8205  16.841  4.5199  3.198071       7.369384 
1 1 1 -16 -1  1  o 192.212 3.7524  4970.21   193.188   4969.71   273.633   4970.71   272.786   192.201 5.3153  192.223 5.2982  -0.2206421E-01 7.504858 
1 1 1 -16 -1  2  o 202.995 3.9591  5546.05   215.255   5528.57   305.493   5563.29   303.352   202.672 5.6275  203.318 5.5704  -0.6455383     7.918221 
1 1 1 -16 -1  3  o 237.224 4.5840  7588.40   291.164   7384.62   412.700   7790.35   410.843   234.027 6.5838  240.420 6.3799  -6.392456      9.167912 
1 1 1 -16 -1  4  o 134.285 2.8230  2421.11   101.533   2401.56   143.853   2440.52   143.327   133.743 4.0157  134.828 3.9688  -1.084320      5.645973 
1 1 1 -16 -1  5  o 49.545  1.6844  328.928   22.348    338.710   31.908    319.508   31.310    50.268  2.3698  48.822  2.3943  1.446156       3.368802 
1 1 1 -16 -1  6  o 87.587  2.0949  1028.68   49.126    1068.60   69.926    989.781   69.033    89.266  2.9246  85.908  3.0001  3.358192       4.189710 
1 1 1 -16 -1  7  o 214.908 4.1599  6219.71   239.429   6342.34   339.191   6097.92   338.020   217.029 5.8350  212.787 5.9307  4.241913       8.319880 
1 1 1 -16 -1  8  o 221.607 4.3568  6617.56   258.597   6693.23   366.274   6542.36   365.150   222.876 6.1356  220.338 6.1872  2.537491       8.713562 
1 1 1 -16 -1  9  f 40.953  1.8187  229.361   19.483    185.626   28.105    269.825   27.033    37.096  2.8504  44.810  2.2596  -7.714520      3.637361 
1 1 1 -16 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -1  11 o 175.973 3.4828  4169.69   163.421   4684.05   233.485   3675.71   228.810   186.662 4.6700  165.284 5.1684  21.37808       6.965669 
1 1 1 -16 -1  12 o 213.728 4.1428  6154.57   237.084   6370.70   337.265   5943.43   333.345   217.452 5.7905  210.004 5.9262  7.448349       8.285530 
1 1 1 -16 -1  13 o 101.355 2.3435  1377.68   63.600    1413.35   91.421    1344.22   88.537    102.625 3.3258  100.086 3.3027  2.539726       4.687084 
1 1 1 -16 -1  14 o 145.321 3.0139  2837.39   117.299   2871.03   167.362   2804.90   164.447   146.166 4.2749  144.476 4.2496  1.690125       6.027713 
1 1 1 -16 -1  15 o 55.517  1.8462  412.325   27.419    435.640   39.958    391.577   37.695    56.997  2.6174  54.038  2.6043  2.958969       3.692310 
1 1 1 -16 -1  16 f 110.632 2.4965  1641.82   73.934    1723.38   106.093   1564.81   103.087   113.304 3.4959  107.960 3.5649  5.343697       4.992972 
1 1 1 -16 -1  17 o 140.334 2.9820  2646.24   112.072   2680.61   160.134   2613.25   156.904   141.225 4.2333  139.443 4.2010  1.782150       5.963983 
1 1 1 -16 -1  18 o 239.983 4.6143  7781.72   296.439   8124.39   421.412   7446.06   417.077   245.248 6.4152  234.717 6.6341  10.53087       9.228572 
1 1 1 -16 -1  19 o 56.249  1.9179  425.297   28.756    420.472   42.213    429.475   39.281    55.911  2.8280  56.587  2.5916  -0.6755333     3.835885 
1 1 1 -16 -1  20 o 52.512  1.8888  368.780   26.454    393.687   39.168    347.890   35.871    54.170  2.6995  50.855  2.6425  3.314518       3.777604 
1 1 1 -16 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -1  22 o 128.693 2.8698  2235.98   98.655    2100.17   141.715   2363.68   137.422   124.860 4.2374  132.526 3.8714  -7.665886      5.739640 
1 1 1 -16 -1  23 o 39.870  1.9816  216.334   20.788    200.480   31.087    229.160   27.960    38.503  3.0390  41.236  2.5439  -2.732853      3.963185 
1 1 1 -16 -1  24 o 80.740  2.2023  875.443   47.528    898.881   69.848    855.234   64.860    81.735  3.1905  79.744  3.0366  1.991646       4.404552 
1 1 1 -16 -1  25 o 65.405  2.0475  573.524   35.764    600.777   53.069    550.848   48.407    66.816  2.9653  63.993  2.8241  2.822365       4.094961 
1 1 1 -16 -1  26 o 27.965  2.0614  105.911   15.050    110.060   23.210    102.901   19.770    28.411  3.1004  27.520  2.7176  0.8913403      4.122845 
1 1 1 -16 -1  27 o 98.902  2.4267  1317.36   64.160    1422.12   94.132    1226.46   87.683    102.562 3.4266  95.243  3.4371  7.319016       4.853371 
1 1 1 -16 -1  28 o 10.955  2.6496  14.864    9.1229    14.972    15.085    14.802    11.455    11.255  3.9921  10.656  3.4849  0.5988407      5.299209 
1 1 1 -16 -1  29 o 84.797  2.3855  984.119   53.651    890.904   79.076    1063.63   73.031    80.951  3.6470  88.642  3.0760  -7.690773      4.770936 
1 1 1 -16 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -1  31 o 49.422  2.0524  326.947   26.786    370.470   41.579    296.070   35.021    52.176  2.9876  46.668  2.8149  5.507385       4.104770 
1 1 1 -16 -1  32 o 18.439  2.8102  49.468    13.056    43.708    21.671    52.750    16.359    17.450  4.5790  19.427  3.2592  -1.977106      5.620488 
1 1 1 -16 -1  33 o 76.821  2.2610  795.002   46.213    915.442   70.210    702.939   61.385    81.885  3.2012  71.757  3.1938  10.12756       4.521902 
1 1 1 -16 -1  34 o 13.657  2.9781  26.634    11.905    19.622    20.464    30.221    14.636    12.787  4.6359  14.527  3.7395  -1.739699      5.956118 
1 1 1 -16 -1  35 o 18.785  2.8914  43.414    13.711    80.819    24.865    27.071    16.436    23.768  4.0510  13.801  4.1269  9.967278       5.782896 
1 1 1 -16 -1  36 o 84.477  2.4423  985.344   54.853    1038.61   83.597    945.068   72.689    86.325  3.6155  82.629  3.2843  3.696434       4.884512 
1 1 1 -16 -1  37 o 48.136  2.3041  320.297   28.885    340.284   46.430    307.677   36.894    49.168  3.5494  47.104  2.9389  2.063831       4.608186 
1 1 1 -16 -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 -1  39 o 38.193  2.5513  209.896   24.416    206.996   41.297    211.455   30.275    37.562  4.1754  38.824  2.9330  -1.262024      5.102571 
1 1 1 -16 -1  40 o 29.356  2.9867  132.048   20.963    115.697   35.877    140.525   25.831    27.255  5.1020  31.456  3.1065  -4.200520      5.973349 
1 1 1 -16 -1  41 o 26.529  3.3124  115.994   20.682    85.114    35.491    131.874   25.450    22.685  5.8142  30.373  3.1753  -7.688255      6.624774 
1 1 1 -16 -1  42 o 29.078  3.1086  127.658   21.630    132.601   38.768    125.424   26.064    28.772  5.2229  29.385  3.3726  -0.6132565     6.217224 
1 1 1 -16 -1  43 o 11.985  3.3868  16.356    15.062    19.711    28.947    15.111    17.638    12.935  5.2809  11.036  4.2417  1.898513       6.773506 
1 1 1 -16 0   1  o 240.487 4.6356  7799.58   298.510   7611.37   423.278   7985.81   421.044   237.576 6.6517  243.398 6.4583  -5.821625      9.271220 
1 1 1 -16 0   2  o 61.945  1.8720  515.502   30.995    490.269   44.541    539.192   43.157    60.469  2.7500  63.420  2.5406  -2.950737      3.743987 
1 1 1 -16 0   3  o 191.035 3.7698  4908.89   192.892   4889.80   273.409   4927.81   272.177   190.662 5.3538  191.409 5.3089  -0.7466583     7.539689 
1 1 1 -16 0   4  o 158.092 3.2195  3358.44   136.283   3462.28   192.879   3254.90   192.589   160.540 4.4855  155.643 4.6197  4.896698       6.439044 
1 1 1 -16 0   5  o 206.205 4.0732  5723.85   224.963   5665.28   318.214   5782.36   318.078   205.145 5.7912  207.265 5.7295  -2.120285      8.146498 
1 1 1 -16 0   6  o 116.135 2.4488  1809.57   76.168    1843.84   108.099   1775.77   107.340   117.228 3.4427  115.041 3.4835  2.186928       4.897671 
1 1 1 -16 0   7  o 264.137 5.0188  9417.38   355.048   9585.04   504.631   9253.02   499.633   266.473 7.0702  261.801 7.1251  4.671906       10.03768 
1 1 1 -16 0   8  o 257.800 4.8807  8968.49   336.913   9279.59   479.192   8664.36   473.789   262.243 6.8221  253.356 6.9818  8.887253       9.761422 
1 1 1 -16 0   9  o 64.395  1.8396  553.602   31.658    606.045   46.432    508.044   43.276    67.233  2.5783  61.556  2.6247  5.676773       3.679277 
1 1 1 -16 0   10 o 144.801 3.5996  2787.37   131.723   2919.81   230.257   2722.94   160.598   147.228 5.8389  142.375 4.2113  4.852692       7.199176 
1 1 1 -16 0   11 o 81.332  3.0769  903.914   65.777    758.966   95.955    1032.41   90.344    74.977  4.8033  87.687  3.8466  -12.70962      6.153721 
1 1 1 -16 0   12 o 170.314 3.4125  3903.76   155.303   4249.17   221.150   3567.68   218.145   177.779 4.6443  162.850 5.0011  14.92918       6.825008 
1 1 1 -16 0   13 o 94.299  2.2788  1195.81   57.429    1125.69   82.213    1262.63   80.257    91.586  3.3514  97.012  3.0886  -5.425919      4.557556 
1 1 1 -16 0   14 o 126.953 2.7847  2171.45   94.371    1990.87   134.609   2345.99   132.341   121.728 4.1285  132.178 3.7380  -10.44958      5.569355 
1 1 1 -16 0   15 o 40.303  1.8004  218.358   19.295    223.275   28.359    214.121   26.327    40.721  2.6139  39.885  2.4766  0.8355827      3.600852 
1 1 1 -16 0   16 o 133.822 2.8644  2404.85   102.640   2487.74   146.906   2325.80   143.464   136.076 4.0306  131.568 4.0710  4.507706       5.728787 
1 1 1 -16 0   17 o 123.098 2.7186  2035.42   89.600    2035.35   128.533   2035.48   124.971   123.091 3.8985  123.105 3.7900  -0.1421356E-01 5.437177 
1 1 1 -16 0   18 o 112.888 2.5443  1709.13   76.860    1817.15   110.745   1608.76   106.757   116.328 3.5543  109.447 3.6417  6.880478       5.088692 
1 1 1 -16 0   19 o 86.285  2.2041  997.484   50.891    1043.79   73.918    955.757   70.171    88.184  3.1295  84.385  3.1046  3.798988       4.408144 
1 1 1 -16 0   20 o 44.527  1.8894  263.429   22.165    326.457   33.332    213.462   29.678    49.267  2.5345  39.786  2.8029  9.481304       3.778858 
1 1 1 -16 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 0   22 o 103.238 2.5093  1437.26   69.187    1368.37   100.156   1500.15   95.686    100.845 3.7079  105.631 3.3820  -4.785774      5.018609 
1 1 1 -16 0   23 o 76.119  2.1352  774.012   43.371    872.807   64.018    690.197   58.965    80.586  2.9659  71.653  3.0724  8.933624       4.270376 
1 1 1 -16 0   24 o 143.990 3.1217  2804.16   120.287   2761.81   173.048   2843.74   167.320   142.905 4.5209  145.075 4.3059  -2.169632      6.243402 
1 1 1 -16 0   25 o 56.902  2.0266  438.068   30.590    420.340   45.592    452.583   41.254    55.790  3.0627  58.014  2.6548  -2.224812      4.053203 
1 1 1 -16 0   26 o 75.449  2.1930  769.069   44.099    750.899   65.267    784.332   59.818    74.600  3.2664  76.299  2.9270  -1.698608      4.385967 
1 1 1 -16 0   27 o 82.432  2.2601  916.229   49.751    939.482   73.636    896.698   67.484    83.369  3.2976  81.494  3.0916  1.875015       4.520159 
1 1 1 -16 0   28 o 49.830  2.0765  340.899   27.114    305.766   41.100    367.972   36.079    47.418  3.2557  52.241  2.5784  -4.822655      4.153038 
1 1 1 -16 0   29 o 44.720  2.0876  274.926   24.377    253.255   37.453    290.854   32.109    43.094  3.2691  46.346  2.5970  -3.251911      4.175101 
1 1 1 -16 0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 0   31 o 25.674  2.3214  89.337    15.220    98.939    24.842    83.566    19.258    26.704  3.5620  24.644  2.9779  2.060583       4.642817 
1 1 1 -16 0   32 o 44.203  2.1017  262.314   24.449    295.843   38.306    239.268   31.759    46.522  3.0917  41.884  2.8478  4.637886       4.203418 
1 1 1 -16 0   33 o 92.058  2.5253  1167.11   61.840    1132.45   92.186    1195.48   83.384    90.663  3.7961  93.453  3.3312  -2.789322      5.050507 
1 1 1 -16 0   34 o 58.515  2.1826  465.283   33.724    501.642   52.345    439.482   44.095    60.378  3.2487  56.652  2.9158  3.726078       4.365296 
1 1 1 -16 0   35 o 35.833  2.3382  178.947   21.519    176.596   34.681    180.419   27.439    35.473  3.7048  36.192  2.8537  -0.7191238     4.676411 
1 1 1 -16 0   36 o 22.481  2.9642  75.634    16.374    65.841    27.336    81.114    20.449    20.966  4.9475  23.997  3.2663  -3.030720      5.928449 
1 1 1 -16 0   37 o 24.802  2.8048  85.750    17.175    100.670   29.924    78.419    20.974    26.154  4.4297  23.450  3.4417  2.704035       5.609651 
1 1 1 -16 0   38 o 32.230  2.5332  143.573   20.821    169.491   35.010    129.390   25.899    34.245  3.8857  30.216  3.2512  4.028669       5.066412 
1 1 1 -16 0   39 o 49.371  2.3861  341.511   30.637    370.850   49.617    323.431   38.949    50.804  3.6710  47.939  3.0492  2.865017       4.772187 
1 1 1 -16 0   40 o 43.420  2.4883  269.112   27.649    278.426   45.736    263.748   34.710    43.622  3.9574  43.219  3.0174  0.4031487      4.976554 
1 1 1 -16 0   41 o 10.072  3.0056  6.0418    13.271    -4.1078   25.183    9.9440    15.615    10.144  4.5330  10.000  3.9481  0.1439590      6.011280 
1 1 1 -16 0   42 o 16.739  3.2257  29.310    15.722    87.992    29.973    7.0372    18.466    23.463  4.9262  10.014  4.1658  13.44895       6.451458 
1 1 1 -16 0   43 o 14.248  3.3240  34.325    15.926    7.7519    31.079    43.787    18.546    11.858  5.1776  16.638  4.1698  -4.780335      6.647901 
1 1 1 -16 1   1  o 115.328 3.1361  1781.96   91.001    1800.31   159.111   1773.04   110.936   115.709 5.1338  114.947 3.6032  0.7624512      6.272106 
1 1 1 -16 1   2  o 167.869 3.3311  3784.81   149.564   4070.26   214.221   3513.35   208.910   174.055 4.5950  161.683 4.8240  12.37178       6.662182 
1 1 1 -16 1   3  o 62.238  1.9264  529.686   31.432    432.372   45.886    615.713   43.143    56.700  3.0324  67.776  2.3766  -11.07611      3.852751 
1 1 1 -16 1   4  o 109.010 2.3965  1594.91   69.923    1573.20   100.392   1615.36   97.445    108.285 3.4613  109.734 3.3153  -1.449394      4.792918 
1 1 1 -16 1   5  o 60.986  1.8009  506.518   28.953    425.175   42.356    577.861   39.667    56.311  2.8083  65.662  2.2554  -9.350990      3.601856 
1 1 1 -16 1   6  f 111.070 2.4181  1654.93   71.335    1953.42   103.175   1381.57   98.736    120.677 3.1920  101.464 3.6331  19.21315       4.836134 
1 1 1 -16 1   7  f 92.261  2.1682  1139.31   53.523    1208.67   77.673    1076.60   73.856    94.930  3.0548  89.592  3.0777  5.337227       4.336332 
1 1 1 -16 1   8  o 92.997  2.2021  1159.07   54.586    1320.92   78.782    1009.63   75.702    99.243  2.9637  86.751  3.2579  12.49136       4.404284 
1 1 1 -16 1   9  o 130.594 2.8020  2295.61   97.754    2128.25   139.357   2457.74   137.160   125.882 4.1331  135.307 3.7846  -9.425079      5.604080 
1 1 1 -16 1   10 o 116.400 2.5704  1817.99   80.114    1881.56   114.406   1756.83   112.223   118.398 3.6076  114.402 3.6623  3.995567       5.140756 
1 1 1 -16 1   11 o 144.097 6.1084  2799.17   235.760   2799.17   235.760   0.0000    0.0000    144.097 6.1084  ?       ?       ?              ?        
1 1 1 -16 1   12 o 172.637 3.5145  4014.48   162.276   3792.62   230.605   4232.11   228.398   167.881 5.1283  177.393 4.8069  -9.511780      7.028973 
1 1 1 -16 1   13 o 244.124 4.6930  8046.93   306.862   8127.43   435.538   7967.57   432.416   245.339 6.6278  242.909 6.6461  2.430298       9.386095 
1 1 1 -16 1   14 o 82.511  2.1358  913.182   47.169    918.029   68.061    908.701   65.431    82.719  3.0719  82.303  2.9681  0.4163895      4.271536 
1 1 1 -16 1   15 f 147.038 3.0902  2907.58   121.643   2849.53   173.605   2963.56   170.497   145.585 4.4520  148.490 4.2867  -2.905411      6.180343 
1 1 1 -16 1   16 o 113.219 2.5536  1720.22   77.412    1756.98   111.257   1685.73   107.781   114.389 3.6312  112.049 3.5912  2.340210       5.107125 
1 1 1 -16 1   17 o 73.600  2.0674  723.958   40.616    813.996   59.303    644.409   55.742    77.897  2.8423  69.303  3.0029  8.594566       4.134717 
1 1 1 -16 1   18 o 51.788  1.8904  357.327   26.018    414.478   38.632    309.884   35.198    55.591  2.5945  47.985  2.7500  7.605995       3.780758 
1 1 1 -16 1   19 o 104.109 2.4517  1452.78   68.272    1563.82   98.826    1351.40   94.426    107.911 3.4191  100.307 3.5146  7.604034       4.903323 
1 1 1 -16 1   20 o 183.534 3.6565  4540.99   179.656   4752.26   256.741   4338.28   251.484   187.731 5.1059  179.337 5.2354  8.394562       7.312989 
1 1 1 -16 1   21 f 94.221  2.7965  1180.87   68.492    1140.02   86.278    1250.48   112.632   92.092  3.4978  96.351  4.3643  -4.259087      5.593014 
1 1 1 -16 1   22 o 151.908 3.1710  3109.67   128.912   3294.81   185.291   2935.99   179.467   156.299 4.4260  147.516 4.5421  8.783752       6.341919 
1 1 1 -16 1   23 o 60.383  2.0592  491.054   33.069    487.129   49.235    494.281   44.636    60.112  3.0681  60.654  2.7475  -0.5416756     4.118471 
1 1 1 -16 1   24 o 102.468 2.5291  1419.01   69.189    1359.65   100.668   1472.16   95.251    100.400 3.7434  104.536 3.4018  -4.136459      5.058247 
1 1 1 -16 1   25 o 27.822  2.0962  105.458   15.178    104.933   23.344    105.843   19.978    27.723  3.2027  27.920  2.7053  -0.1975937     4.192387 
1 1 1 -16 1   26 o 37.157  2.0027  186.937   19.566    188.039   29.974    186.119   25.826    37.221  3.0330  37.093  2.6163  0.1284218      4.005448 
1 1 1 -16 1   27 o 36.881  2.0067  178.585   19.295    234.150   30.349    140.888   24.997    41.583  2.7402  32.178  2.9325  9.404629       4.013480 
1 1 1 -16 1   28 o 51.886  2.0464  362.875   28.095    380.284   42.951    349.855   37.144    52.938  3.0419  50.833  2.7382  2.105030       4.092722 
1 1 1 -16 1   29 o 35.265  2.7496  153.153   21.281    206.663   47.775    139.908   23.769    38.484  4.7347  32.047  2.7971  6.436695       5.499232 
1 1 1 -16 1   30 o 14.098  2.8106  25.260    11.094    40.330    18.289    16.487    13.955    16.829  4.0961  11.366  3.8497  5.462708       5.621233 
1 1 1 -16 1   31 o 45.585  2.0853  277.672   25.046    322.785   39.115    246.321   32.607    48.656  3.0162  42.515  2.8804  6.140915       4.170646 
1 1 1 -16 1   32 o 121.741 2.9056  2046.60   94.454    2032.03   138.805   2059.16   128.901   121.188 4.2762  122.294 3.9351  -1.106865      5.811296 
1 1 1 -16 1   33 o 49.893  2.2286  345.438   28.847    323.197   45.417    360.478   37.348    48.374  3.5296  51.412  2.7219  -3.037762      4.457189 
1 1 1 -16 1   34 o 37.762  2.2067  186.208   21.498    251.447   35.658    148.957   26.945    42.701  3.1397  32.823  3.1017  9.878235       4.413403 
1 1 1 -16 1   35 o 33.150  2.3923  150.926   20.404    165.147   33.353    142.420   25.795    34.258  3.6932  32.043  3.0420  2.215271       4.784688 
1 1 1 -16 1   36 o 26.355  2.6518  95.064    17.423    113.853   30.183    85.675    21.336    28.083  4.1366  24.627  3.3192  3.455809       5.303580 
1 1 1 -16 1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 1   38 o 35.087  2.5600  174.962   22.584    182.206   38.338    171.112   27.948    35.295  4.1336  34.880  3.0213  0.4149742      5.120080 
1 1 1 -16 1   39 o 30.459  2.7228  131.205   20.788    150.644   35.718    121.247   25.564    31.827  4.3001  29.091  3.3414  2.735168       5.445690 
1 1 1 -16 1   40 o 9.6416  2.9550  0.5716    12.569    7.7926    24.345    -2.0530   14.677    11.266  4.7415  8.0170  3.5277  3.249192       5.909904 
1 1 1 -16 1   41 o 13.619  3.5268  25.287    15.429    28.398    30.134    24.181    17.962    14.372  5.5389  12.866  4.3675  1.506128       7.053646 
1 1 1 -16 1   42 o 13.473  3.3152  28.169    15.944    1.1752    30.375    38.436    18.732    11.321  5.0235  15.626  4.3274  -4.305589      6.630419 
1 1 1 -16 1   43 o 21.922  3.5551  87.625    19.919    61.712    35.371    99.660    24.105    18.166  6.1291  25.678  3.6039  -7.512621      7.110132 
1 1 1 -16 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 2   3  o 67.284  2.4565  633.533   40.082    546.663   71.167    673.889   48.507    63.668  4.1968  70.901  2.5542  -7.233082      4.912938 
1 1 1 -16 2   4  o 229.191 4.4516  7083.38   273.000   6754.53   387.551   7407.28   384.628   223.869 6.4632  234.512 6.1233  -10.64363      8.903236 
1 1 1 -16 2   5  f 101.356 2.2954  1378.17   62.263    1375.23   89.885    1380.89   86.329    101.249 3.3144  101.464 3.1766  -0.2149200     4.590842 
1 1 1 -16 2   6  o 187.844 3.7071  4748.21   186.428   4628.84   265.368   4864.54   261.964   185.496 5.3410  190.191 5.1424  -4.695114      7.414206 
1 1 1 -16 2   7  o 208.346 4.0594  5845.48   226.484   5737.41   321.513   5951.93   319.095   206.420 5.8151  210.272 5.6656  -3.852524      8.118807 
1 1 1 -16 2   8  o 170.977 3.4176  3930.26   156.432   4098.26   222.288   3765.43   220.182   174.607 4.7530  167.346 4.9122  7.261429       6.835250 
1 1 1 -16 2   9  o 193.743 3.8255  5052.00   198.515   5048.17   281.708   5055.77   279.788   193.666 5.4307  193.819 5.3894  -0.1530457     7.651054 
1 1 1 -16 2   10 o 90.461  2.2339  1100.10   54.014    1038.90   77.327    1158.41   75.482    87.993  3.2809  92.929  3.0325  -4.936356      4.467713 
1 1 1 -16 2   11 o 250.041 6.9471  8534.92   464.133   7906.58   659.215   9152.58   653.588   240.720 10.224  259.362 9.4082  -18.64159      13.89415 
1 1 1 -16 2   12 o 79.701  2.1521  859.888   45.494    738.380   65.358    974.095   63.364    74.178  3.2895  85.224  2.7758  -11.04588      4.304209 
1 1 1 -16 2   13 o 152.901 3.1378  3143.16   128.258   3405.10   183.101   2890.82   179.715   159.175 4.2947  146.628 4.5759  12.54671       6.275597 
1 1 1 -16 2   14 o 32.153  1.8782  142.694   15.639    115.371   23.010    166.154   21.321    29.174  2.9868  35.132  2.2781  -5.957884      3.756387 
1 1 1 -16 2   15 o 92.242  2.2729  1140.03   56.099    1214.61   81.006    1071.30   77.766    95.138  3.1789  89.345  3.2496  5.792877       4.545897 
1 1 1 -16 2   16 o 98.863  2.3580  1309.54   62.305    1436.58   90.056    1192.90   86.291    103.460 3.2497  94.267  3.4176  9.192955       4.715994 
1 1 1 -16 2   17 o 70.851  2.1082  678.798   39.696    609.263   57.762    741.033   54.645    67.376  3.2007  74.327  2.7449  -6.950768      4.216493 
1 1 1 -16 2   18 o 100.584 2.4431  1360.90   65.687    1312.45   94.906    1405.45   91.007    98.852  3.5844  102.315 3.3208  -3.463158      4.886286 
1 1 1 -16 2   19 o 112.310 2.5780  1693.07   77.504    1743.65   111.999   1646.60   107.361   113.915 3.6707  110.705 3.6207  3.210365       5.155903 
1 1 1 -16 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 2   21 o 88.519  2.3389  1058.09   55.178    984.985   80.295    1123.51   75.952    85.589  3.5025  91.449  3.1008  -5.859779      4.677875 
1 1 1 -16 2   22 o 35.038  2.0360  167.607   18.654    155.552   28.283    176.889   24.818    33.871  3.1537  36.206  2.5760  -2.335133      4.072084 
1 1 1 -16 2   23 o 67.876  2.0946  617.177   37.971    648.755   56.352    590.916   51.389    69.454  3.0291  66.298  2.8939  3.156136       4.189292 
1 1 1 -16 2   24 o 73.108  2.1778  722.772   42.368    686.548   62.655    753.291   57.510    71.387  3.2768  74.828  2.8694  -3.440941      4.355536 
1 1 1 -16 2   25 o 92.240  2.4114  1151.56   59.325    1107.98   87.011    1189.42   81.096    90.567  3.5869  93.913  3.2239  -3.346786      4.822789 
1 1 1 -16 2   26 o 27.579  2.0928  100.677   14.980    124.825   23.707    84.628    19.327    30.280  2.9609  24.877  2.9585  5.402378       4.185631 
1 1 1 -16 2   27 f 29.482  2.1299  119.518   16.226    113.938   25.291    123.422   21.153    28.824  3.3375  30.140  2.6470  -1.316006      4.259744 
1 1 1 -16 2   28 o 32.711  2.0515  140.088   17.398    186.121   27.789    110.412   22.313    37.004  2.8251  28.418  2.9755  8.586462       4.102977 
1 1 1 -16 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 2   30 o 26.909  2.3974  103.232   16.081    87.403    25.588    113.566   20.674    24.975  3.9569  28.842  2.7079  -3.866421      4.794751 
1 1 1 -16 2   31 o 101.739 2.6864  1428.99   72.584    1328.89   107.429   1513.06   98.456    98.254  4.0821  105.224 3.4933  -6.969803      5.372790 
1 1 1 -16 2   32 f 77.828  2.3673  829.917   48.879    819.828   74.132    837.677   65.014    77.290  3.5809  78.365  3.0974  -1.075508      4.734622 
1 1 1 -16 2   33 o 35.350  2.2761  159.971   20.125    256.117   33.447    105.402   25.197    43.227  2.9056  27.472  3.5042  15.75582       4.552134 
1 1 1 -16 2   34 o 41.760  2.2354  236.185   24.227    263.244   39.536    219.916   30.657    43.537  3.4178  39.983  2.8819  3.553963       4.470705 
1 1 1 -16 2   35 o 14.354  3.1384  30.711    13.964    13.308    24.175    39.424    17.106    12.261  4.8896  16.447  3.9358  -4.185929      6.276865 
1 1 1 -16 2   36 f 54.126  2.3061  402.912   32.572    440.501   52.547    379.458   41.507    55.963  3.5236  52.289  2.9760  3.674599       4.612142 
1 1 1 -16 2   37 o 20.900  5.4267  68.430    30.648    68.430    30.648    0.0000    0.0000    20.900  5.4267  ?       ?       ?              ?        
1 1 1 -16 2   38 o 13.483  3.3451  21.048    14.000    39.511    26.132    13.616    16.580    16.084  5.2638  10.883  4.1292  5.200839       6.690108 
1 1 1 -16 2   39 o 13.111  3.3777  21.882    14.533    29.439    25.896    18.408    17.560    14.388  5.2153  11.834  4.2938  2.553565       6.755414 
1 1 1 -16 2   40 o 15.291  3.3279  38.098    16.266    13.025    28.813    49.826    19.706    12.489  5.2003  18.093  4.1541  -5.603546      6.655798 
1 1 1 -16 2   41 o 11.709  3.0208  15.295    15.074    -28.9302  28.563    32.367    17.747    8.9344  4.2658  14.483  4.2784  -5.548284      6.041620 
1 1 1 -16 2   42 o 23.186  3.5173  85.166    19.499    94.929    36.687    81.322    23.020    23.246  5.8861  23.125  3.8521  0.1218739      7.034541 
1 1 1 -16 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 3   3  o 222.811 5.9959  6685.12   357.831   0.0000    0.0000    6685.12   357.831   ?       ?       222.811 5.9959  ?              ?        
1 1 1 -16 3   4  f 118.682 2.5492  1888.18   80.968    2001.61   116.415   1781.89   112.688   122.134 3.5586  115.230 3.6511  6.904160       5.098476 
1 1 1 -16 3   5  o 78.329  2.0494  830.063   42.597    718.209   61.316    934.400   59.220    73.175  3.1284  83.483  2.6484  -10.30804      4.098896 
1 1 1 -16 3   6  o 183.246 3.6131  4516.82   177.198   4747.74   251.665   4289.78   249.541   187.908 5.0002  178.584 5.2169  9.324020       7.226194 
1 1 1 -16 3   7  o 84.135  2.1173  951.009   47.398    1094.65   67.897    814.468   66.197    90.350  2.8056  77.920  3.1717  12.42995       4.234569 
1 1 1 -16 3   8  o 54.563  1.7935  398.972   26.072    446.871   37.690    355.017   36.105    57.736  2.4372  51.389  2.6319  6.346184       3.586999 
1 1 1 -16 3   9  o 265.556 5.0655  9528.32   360.279   9686.56   510.875   9371.76   508.157   267.762 7.1232  263.349 7.2041  4.413086       10.13107 
1 1 1 -16 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 3   11 o 225.671 4.4552  6882.65   268.662   6363.88   380.964   7395.90   378.935   217.130 6.5505  234.212 6.0404  -17.08224      8.910425 
1 1 1 -16 3   12 o 55.924  1.9649  429.361   28.631    332.996   41.428    517.472   39.614    49.720  3.1267  62.127  2.3805  -12.40658      3.929769 
1 1 1 -16 3   13 o 125.944 2.7615  2131.26   93.111    2105.99   133.291   2155.35   130.124   125.208 3.9745  126.680 3.8349  -1.472084      5.522974 
1 1 1 -16 3   14 o 90.413  2.3233  1104.93   55.848    976.270   80.392    1224.94   77.642    85.275  3.5197  95.550  3.0337  -10.27512      4.646655 
1 1 1 -16 3   15 o 102.555 2.4361  1412.16   66.863    1405.70   96.382    1418.15   92.836    102.324 3.5167  102.786 3.3720  -0.4624939     4.872125 
1 1 1 -16 3   16 o 225.749 4.4108  6880.55   266.680   6847.11   379.289   6913.25   375.032   225.192 6.2882  226.307 6.1870  -1.114273      8.821620 
1 1 1 -16 3   17 o 85.802  2.2399  987.906   51.412    991.749   74.670    984.442   70.891    85.956  3.2433  85.648  3.0902  0.3082199      4.479747 
1 1 1 -16 3   18 o 68.967  2.1840  652.574   39.372    520.265   57.348    770.540   54.150    62.145  3.4590  75.789  2.6675  -13.64392      4.368051 
1 1 1 -16 3   19 o 66.265  2.0334  587.440   36.019    619.004   53.023    560.393   49.082    67.910  2.9150  64.619  2.8357  3.291176       4.066772 
1 1 1 -16 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 3   21 o 80.542  2.2514  875.487   48.321    828.037   70.809    916.843   66.105    78.473  3.3688  82.610  2.9876  -4.136284      4.502710 
1 1 1 -16 3   22 o 56.572  2.1217  438.018   31.505    376.876   46.792    488.721   42.611    52.823  3.3242  60.321  2.6373  -7.498314      4.243307 
1 1 1 -16 3   23 o 90.924  2.3789  1115.78   57.730    1082.31   84.546    1145.01   79.019    89.619  3.5221  92.228  3.1987  -2.609291      4.757876 
1 1 1 -16 3   24 o 78.378  2.2073  824.990   46.214    861.355   68.427    794.492   62.665    79.951  3.1954  76.806  3.0461  3.144196       4.414603 
1 1 1 -16 3   25 o 81.339  2.2273  886.554   48.363    978.198   71.894    810.805   65.362    85.152  3.1521  77.526  3.1477  7.626579       4.454654 
1 1 1 -16 3   26 f 59.030  2.0981  472.688   32.811    457.240   49.307    484.965   43.956    58.084  3.1814  59.976  2.7362  -1.892105      4.196229 
1 1 1 -16 3   27 o 66.857  2.2395  614.359   39.358    544.647   59.030    670.154   52.810    63.268  3.4969  70.446  2.7988  -7.177433      4.479052 
1 1 1 -16 3   28 o 16.463  2.6532  35.289    11.461    56.586    18.763    22.610    14.476    20.101  3.6180  12.825  3.8817  7.275846       5.306379 
1 1 1 -16 3   29 o 12.917  4.2629  21.984    17.127    21.984    17.127    0.0000    0.0000    12.917  4.2629  ?       ?       ?              ?        
1 1 1 -16 3   30 o 78.683  2.3010  835.651   48.221    909.951   73.085    778.371   64.171    81.720  3.3390  75.646  3.1671  6.074074       4.602096 
1 1 1 -16 3   31 o 56.594  2.1953  437.598   32.740    433.573   50.445    440.528   43.036    56.238  3.3643  56.950  2.8213  -0.7114143     4.390683 
1 1 1 -16 3   32 f 32.346  2.3073  142.611   19.228    153.309   31.244    136.090   24.395    33.222  3.5670  31.470  2.9277  1.752480       4.614591 
1 1 1 -16 3   33 o 13.741  2.8547  28.140    12.432    5.4056    21.382    39.750    15.280    10.802  4.4873  16.679  3.5303  -5.877092      5.709492 
1 1 1 -16 3   34 o 41.238  2.2819  231.101   24.411    257.975   39.832    214.934   30.893    43.010  3.4876  39.466  2.9436  3.543724       4.563809 
1 1 1 -16 3   35 o 21.524  3.0272  68.731    16.106    64.491    27.265    71.003    19.961    20.703  4.9781  22.346  3.4458  -1.643152      6.054312 
1 1 1 -16 3   36 o 11.278  4.0504  16.083    15.575    0.0000    0.0000    16.083    15.575    ?       ?       11.278  4.0504  ?              ?        
1 1 1 -16 3   37 o 36.487  2.4464  183.747   22.985    215.659   38.129    165.530   28.808    38.746  3.7197  34.228  3.1786  4.518204       4.892778 
1 1 1 -16 3   38 o 12.664  3.2647  20.791    13.674    22.776    24.301    19.871    16.540    13.298  5.0102  12.031  4.1871  1.267333       6.529444 
1 1 1 -16 3   39 o 13.632  3.1997  28.174    14.676    6.7345    26.343    37.822    17.672    11.481  4.8867  15.782  4.1320  -4.301437      6.399468 
1 1 1 -16 3   40 o 23.693  3.2882  83.031    18.890    99.210    34.186    75.920    22.664    24.840  5.2997  22.546  3.8939  2.294367       6.576390 
1 1 1 -16 3   41 o 18.032  3.3333  58.890    17.307    25.476    32.053    72.640    20.562    13.978  5.6110  22.086  3.5999  -8.107316      6.666510 
1 1 1 -16 3   42 o 7.3818  2.5560  -30.9907  11.773    -2.2777   25.702    -38.6153  13.244    10.111  4.5444  4.6522  2.3410  5.459054       5.111961 
1 1 1 -16 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 4   3  o 283.086 6.9434  11275.08  485.984   9842.76   841.562   11991.72  595.272   268.234 11.713  297.939 7.4593  -29.70544      13.88689 
1 1 1 -16 4   4  o 200.465 3.9218  5409.11   210.541   5322.56   298.805   5494.45   296.707   198.861 5.6098  202.069 5.4820  -3.208084      7.843633 
1 1 1 -16 4   5  o 43.386  1.6880  252.806   19.396    297.339   28.027    211.871   26.871    47.100  2.2216  39.673  2.5421  7.427582       3.376060 
1 1 1 -16 4   6  o 91.039  2.2097  1111.12   53.862    1155.81   77.122    1068.56   75.257    92.826  3.1018  89.251  3.1481  3.574448       4.419470 
1 1 1 -16 4   7  o 101.934 2.3648  1393.89   64.420    1523.01   92.259    1271.05   89.989    106.546 3.2328  97.323  3.4521  9.223518       4.729536 
1 1 1 -16 4   8  o 100.648 2.3394  1358.34   62.973    1463.80   90.317    1258.57   87.848    104.452 3.2282  96.845  3.3866  7.607506       4.678756 
1 1 1 -16 4   9  o 182.596 3.6675  4489.40   179.259   4341.01   254.815   4634.79   252.227   179.588 5.2974  185.603 5.0736  -6.015625      7.335082 
1 1 1 -16 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 4   11 o 216.100 4.2362  6298.56   245.126   6163.17   348.172   6431.64   345.168   213.774 6.0806  218.425 5.8998  -4.651062      8.472425 
1 1 1 -16 4   12 o 39.899  1.7978  215.667   18.977    199.307   27.818    229.908   25.953    38.454  2.7184  41.344  2.3534  -2.890015      3.595529 
1 1 1 -16 4   13 o 141.713 3.0037  2699.15   113.987   2701.51   163.009   2696.89   159.454   141.768 4.2928  141.658 4.2025  0.1105042      6.007437 
1 1 1 -16 4   14 o 44.567  1.9176  270.536   22.497    238.034   33.099    298.445   30.672    42.018  2.9599  47.115  2.4388  -5.097256      3.835191 
1 1 1 -16 4   15 o 180.801 3.6201  4400.21   175.283   4512.35   250.161   4292.05   245.674   183.067 5.1018  178.536 5.1374  4.531525       7.240240 
1 1 1 -16 4   16 o 36.231  2.2446  192.392   19.329    106.848   28.437    265.852   26.352    27.932  3.9080  44.531  2.2093  -16.59948      4.489241 
1 1 1 -16 4   17 o 202.669 4.1084  5553.32   222.570   5199.90   316.903   5897.35   312.663   196.235 6.0292  209.104 5.5825  -12.86897      8.216771 
1 1 1 -16 4   18 o 107.082 2.5226  1538.96   72.301    1579.80   104.715   1501.76   99.949    108.435 3.6054  105.730 3.5293  2.705139       5.045277 
1 1 1 -16 4   19 o 174.252 4.3097  4051.99   188.407   4271.73   334.389   3949.78   228.052   177.364 7.0388  171.139 4.9750  6.224655       8.619486 
1 1 1 -16 4   20 o 48.994  1.9654  323.064   25.566    325.892   38.110    320.749   34.473    49.176  2.9062  48.811  2.6467  0.3647842      3.930790 
1 1 1 -16 4   21 f 86.281  2.2966  999.370   52.977    1028.06   77.723    974.472   72.402    87.427  3.3191  85.134  3.1751  2.293617       4.593200 
1 1 1 -16 4   22 o 177.012 3.6447  4246.39   172.756   4310.96   247.886   4185.42   240.892   178.304 5.1904  175.719 5.1182  2.585403       7.289442 
1 1 1 -16 4   23 o 66.440  2.1010  593.055   37.233    604.967   55.483    583.297   50.219    67.032  3.0902  65.847  2.8474  1.185204       4.202027 
1 1 1 -16 4   24 o 27.466  2.0845  100.063   14.835    128.332   23.050    80.074    19.383    30.744  2.8309  24.187  3.0604  6.557219       4.168970 
1 1 1 -16 4   25 o 68.095  2.1296  623.747   38.652    643.951   57.969    607.576   51.863    69.064  3.1337  67.126  2.8846  1.937889       4.259199 
1 1 1 -16 4   26 o 43.250  2.0683  256.902   23.359    235.008   35.763    273.193   30.849    41.553  3.2387  44.946  2.5732  -3.393028      4.136511 
1 1 1 -16 4   27 o 36.550  2.0573  177.868   19.691    205.114   31.215    159.859   25.378    38.816  3.0263  34.285  2.7877  4.530964       4.114533 
1 1 1 -16 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 4   29 o 57.362  2.1589  445.164   32.735    467.520   50.354    428.800   43.080    58.551  3.2232  56.172  2.8729  2.379395       4.317720 
1 1 1 -16 4   30 o 52.209  2.1608  369.390   29.690    387.564   46.309    356.707   38.687    53.227  3.2639  51.191  2.8325  2.036324       4.321619 
1 1 1 -16 4   31 f 32.457  2.3052  143.250   19.305    154.853   31.290    136.119   24.531    33.426  3.5492  31.488  2.9427  1.937586       4.610439 
1 1 1 -16 4   32 o 19.086  2.9503  53.752    14.115    47.369    23.956    57.146    17.469    18.019  4.8545  20.153  3.3541  -2.133944      5.900543 
1 1 1 -16 4   33 o 26.059  2.8057  101.126   17.575    82.374    29.371    111.584   21.935    23.716  4.7886  28.402  2.9253  -4.685055      5.611432 
1 1 1 -16 4   34 o 55.151  2.3564  422.990   33.802    423.150   53.935    422.886   43.377    54.931  3.6871  55.370  2.9353  -0.4390717     4.712851 
1 1 1 -16 4   35 o 45.034  2.3538  277.652   27.530    314.592   44.986    255.535   34.809    47.226  3.5830  42.841  3.0535  4.385185       4.707617 
1 1 1 -16 4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 4   37 o 13.792  3.3508  25.684    14.292    33.643    24.822    21.737    17.480    15.079  5.1342  12.504  4.3072  2.574989       6.701590 
1 1 1 -16 4   38 o 18.994  3.3982  54.498    16.384    61.000    29.367    51.560    19.742    19.489  5.4258  18.498  4.0930  0.9913521      6.796423 
1 1 1 -16 4   39 o 27.586  3.0189  110.589   20.130    125.177   36.281    104.101   24.196    28.372  4.9545  26.799  3.4509  1.572975       6.037860 
1 1 1 -16 4   40 o 15.629  3.5919  37.606    16.285    41.282    29.825    36.044    19.438    16.055  5.6206  15.202  4.4739  0.8532076      7.183767 
1 1 1 -16 4   41 o 12.355  3.4554  12.857    15.297    37.823    30.336    4.3457    17.713    15.283  5.6286  9.4277  4.0098  5.855154       6.910845 
1 1 1 -16 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 5   3  o 205.152 4.0190  5666.92   220.809   5585.76   313.297   5747.02   311.255   203.681 5.7427  206.623 5.6241  -2.941849      8.037964 
1 1 1 -16 5   4  o 227.852 4.3850  7002.75   267.058   7567.57   379.479   6448.54   375.901   237.014 5.9776  218.691 6.4173  18.32216       8.770022 
1 1 1 -16 5   5  o 133.211 2.8266  2382.34   100.758   2528.08   143.848   2241.96   141.176   137.217 3.9139  129.205 4.0794  8.012558       5.653273 
1 1 1 -16 5   6  o 171.135 3.4899  3943.96   159.727   3721.94   227.066   4161.44   224.728   166.337 5.0965  175.933 4.7689  -9.595383      6.979770 
1 1 1 -16 5   7  o 88.168  2.2423  1049.04   52.627    935.868   75.552    1155.71   73.348    83.511  3.3777  92.825  2.9501  -9.313835      4.484617 
1 1 1 -16 5   8  o 105.529 2.4492  1495.85   69.166    1459.05   99.165    1530.72   96.521    104.258 3.5511  106.800 3.3741  -2.542007      4.898440 
1 1 1 -16 5   9  o 22.175  3.6678  67.763    21.023    0.0000    0.0000    67.763    21.023    ?       ?       22.175  3.6678  ?              ?        
1 1 1 -16 5   10 o 193.546 3.8283  5043.95   198.430   5170.96   282.535   4920.33   278.749   195.956 5.3830  191.136 5.4448  4.820038       7.656538 
1 1 1 -16 5   11 o 171.254 3.4521  3945.25   158.330   4004.07   225.867   3888.42   222.008   172.508 4.8883  170.000 4.8756  2.507584       6.904135 
1 1 1 -16 5   12 o 102.258 2.4210  1403.82   66.261    1400.10   95.512    1407.28   92.002    102.122 3.4918  102.393 3.3546  -0.2710419     4.842057 
1 1 1 -16 5   13 o 187.162 3.7545  4718.72   188.181   4691.37   268.278   4745.21   264.029   186.617 5.3672  187.708 5.2515  -1.091125      7.508951 
1 1 1 -16 5   14 o 152.594 3.2017  3133.45   130.772   3067.69   187.155   3196.17   182.800   151.014 4.6270  154.173 4.4267  -3.158630      6.403457 
1 1 1 -16 5   15 o 105.742 2.4720  1498.02   69.866    1642.48   101.216   1366.55   96.560    110.607 3.4165  100.877 3.5737  9.729416       4.944026 
1 1 1 -16 5   16 o 60.284  2.0190  490.828   32.324    460.266   47.576    517.029   44.052    58.484  3.0477  62.085  2.6490  -3.600975      4.038049 
1 1 1 -16 5   17 o 97.774  2.3886  1282.37   62.487    1313.71   90.900    1254.30   86.040    98.901  3.4314  96.647  3.3237  2.253860       4.777202 
1 1 1 -16 5   18 o 148.870 3.1198  2980.14   124.267   3182.38   178.847   2791.37   172.790   153.760 4.3426  143.981 4.4805  9.778946       6.239629 
1 1 1 -16 5   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 5   20 o 63.394  2.0675  540.730   34.922    531.625   51.884    548.271   47.218    62.895  3.0799  63.894  2.7591  -0.9990273     4.134976 
1 1 1 -16 5   21 o 104.698 2.5254  1471.51   70.707    1574.04   103.401   1381.47   96.905    108.113 3.5708  101.284 3.5721  6.829041       5.050729 
1 1 1 -16 5   22 o 74.534  2.2034  748.340   43.789    741.477   64.943    754.060   59.295    74.202  3.2676  74.867  2.9569  -0.6644135     4.406894 
1 1 1 -16 5   23 o 20.242  2.4564  59.273    12.370    45.587    19.196    68.992    16.176    18.005  4.0755  22.479  2.7435  -4.474688      4.912901 
1 1 1 -16 5   24 o 65.477  2.1176  577.357   36.931    585.003   55.387    571.237   49.555    65.845  3.1405  65.109  2.8415  0.7352066      4.235221 
1 1 1 -16 5   25 o 66.039  2.1677  589.658   38.070    584.593   57.216    593.682   50.998    65.750  3.2489  66.329  2.8705  -0.5793457     4.335317 
1 1 1 -16 5   26 o 16.985  2.5618  37.483    11.269    60.872    18.446    23.555    14.235    20.928  3.4081  13.042  3.8258  7.885797       5.123638 
1 1 1 -16 5   27 o 40.298  2.1058  221.009   22.238    221.415   34.492    220.720   29.091    40.274  3.2245  40.322  2.7093  -0.4857635E-01 4.211615 
1 1 1 -16 5   28 o 45.257  3.3163  279.984   39.920    279.984   39.920    0.0000    0.0000    45.257  3.3163  ?       ?       ?              ?        
1 1 1 -16 5   29 o 47.683  2.1318  308.545   26.741    319.520   41.547    300.783   34.940    48.344  3.2271  47.022  2.7866  1.321697       4.263686 
1 1 1 -16 5   30 o 22.575  2.5954  68.887    14.739    83.202    24.576    60.845    18.419    24.311  3.9064  20.840  3.4183  3.470718       5.190833 
1 1 1 -16 5   31 o 26.011  2.4769  92.527    16.301    102.351   27.065    86.936    20.419    26.979  3.8550  25.043  3.1112  1.935408       4.953854 
1 1 1 -16 5   32 o 60.214  2.2444  492.551   35.567    537.146   56.013    462.424   46.039    62.373  3.3653  58.055  2.9707  4.318279       4.488853 
1 1 1 -16 5   33 o 15.886  2.9115  40.081    14.312    6.5218    23.832    59.013    17.900    11.369  4.7312  20.403  3.3947  -9.034118      5.823074 
1 1 1 -16 5   34 o 27.388  2.6857  103.621   18.489    120.657   31.361    94.545    22.890    28.911  4.1705  25.866  3.3851  3.044752       5.371356 
1 1 1 -16 5   35 o 29.037  3.1356  118.672   24.001    0.0000    0.0000    118.672   24.001    ?       ?       29.037  3.1356  ?              ?        
1 1 1 -16 5   36 f 16.728  3.3264  42.516    14.995    41.995    26.100    42.773    18.320    16.552  5.2468  16.904  4.0904  -0.3519478     6.652823 
1 1 1 -16 5   37 o 12.656  3.1696  22.381    13.819    7.0934    25.171    28.976    16.534    11.378  4.8067  13.934  4.1329  -2.555413      6.339231 
1 1 1 -16 5   38 o 26.232  3.0108  98.694    19.583    119.534   33.877    88.235    23.999    27.968  4.6881  24.497  3.7791  3.471439       6.021628 
1 1 1 -16 5   39 o 26.912  3.4852  124.106   21.703    86.090    38.557    141.736   26.258    22.373  6.2130  31.450  3.1598  -9.076982      6.970337 
1 1 1 -16 5   40 o 14.594  3.5900  32.003    16.331    37.564    29.063    29.437    19.743    15.364  5.5314  13.824  4.5777  1.540036       7.179941 
1 1 1 -16 5   41 o 14.375  3.6721  31.631    16.697    38.570    32.286    29.097    19.508    15.201  5.7635  13.549  4.5519  1.652873       7.344232 
1 1 1 -16 6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 6   2  o 118.163 2.6188  1885.85   82.208    1618.15   116.757   2149.04   115.768   109.775 3.9709  126.551 3.4153  -16.77602      5.237610 
1 1 1 -16 6   3  o 229.620 4.4499  7108.22   273.662   7229.07   388.690   6989.42   385.366   231.561 6.2668  227.678 6.3192  3.883255       8.899761 
1 1 1 -16 6   4  o 137.183 2.9687  2534.82   108.775   2351.64   155.425   2710.68   152.284   132.293 4.3863  142.073 4.0018  -9.779938      5.937485 
1 1 1 -16 6   5  o 97.531  2.9231  1294.20   70.679    1238.99   124.737   1320.31   85.779    95.862  4.8741  99.200  3.2283  -3.337944      5.846249 
1 1 1 -16 6   6  o 107.260 2.4450  1544.43   70.225    1577.05   99.019    1511.43   99.610    108.403 3.4103  106.117 3.5045  2.285667       4.889936 
1 1 1 -16 6   7  f 72.705  1.9425  708.846   37.802    673.614   53.084    745.097   53.846    70.870  2.7965  74.540  2.6970  -3.669296      3.885080 
1 1 1 -16 6   8  o 178.333 3.5418  4279.21   169.173   4240.66   238.822   4318.04   239.675   177.524 5.0226  179.141 4.9950  -1.616974      7.083556 
1 1 1 -16 6   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 6   10 o 28.346  1.6740  108.416   12.587    103.832   17.594    113.221   18.014    27.726  2.3926  28.966  2.3419  -1.240089      3.348006 
1 1 1 -16 6   11 o 71.231  2.0000  682.112   38.061    732.457   53.534    630.654   54.122    73.899  2.7046  68.562  2.9472  5.337097       4.000052 
1 1 1 -16 6   12 o 23.227  1.8320  73.381    11.179    77.015    15.637    69.583    15.987    23.836  2.4857  22.618  2.6918  1.218369       3.663960 
1 1 1 -16 6   13 o 72.425  2.0493  703.669   39.749    700.815   55.739    706.623   56.701    72.277  2.8792  72.574  2.9169  -0.2972412     4.098558 
1 1 1 -16 6   14 o 147.047 3.0920  2907.74   121.779   2922.20   171.774   2893.13   172.673   147.418 4.3503  146.677 4.3951  0.7410889      6.184041 
1 1 1 -16 6   15 f 116.662 2.6058  1828.16   81.424    1813.30   114.712   1843.25   115.594   116.184 3.6862  117.140 3.6842  -0.9557724     5.211608 
1 1 1 -16 6   16 o 111.489 2.5249  1669.64   75.389    1633.59   106.177   1706.29   107.062   110.274 3.5948  112.705 3.5465  -2.431404      5.049759 
1 1 1 -16 6   17 o 81.362  2.1364  889.594   46.502    933.182   65.482    845.248   66.049    83.380  2.9321  79.343  3.1079  4.036774       4.272711 
1 1 1 -16 6   18 o 173.219 7.1890  4080.71   333.543   0.0000    0.0000    4080.71   333.543   ?       ?       173.219 7.1890  ?              ?        
1 1 1 -16 6   19 o 46.204  1.8571  288.827   22.766    317.312   31.885    259.200   32.518    48.562  2.4593  43.846  2.7833  4.716190       3.714146 
1 1 1 -16 6   20 o 141.196 3.0214  2690.49   114.257   2724.81   161.273   2655.91   161.895   142.109 4.2369  140.283 4.3086  1.825821       6.042817 
1 1 1 -16 6   21 o 53.041  1.9227  378.954   27.244    389.634   38.188    367.885   38.878    53.845  2.6478  52.238  2.7887  1.607716       3.845498 
1 1 1 -16 6   22 o 20.138  2.1106  55.615    10.982    48.376    15.128    63.679    15.967    18.703  3.1304  21.572  2.8319  -2.869205      4.221235 
1 1 1 -16 6   23 o 25.395  1.8957  87.825    12.689    89.902    17.755    85.657    18.143    25.715  2.6140  25.075  2.7462  0.6405315      3.791373 
1 1 1 -16 6   24 o 38.531  1.8574  201.228   19.022    211.883   26.713    190.270   27.092    39.586  2.5327  37.476  2.7175  2.110088       3.714765 
1 1 1 -16 6   25 o 12.998  2.3900  24.345    8.8769    33.720    11.912    12.637    13.312    15.543  2.9695  10.453  3.7456  5.090466       4.779950 
1 1 1 -16 6   26 o 86.080  2.3031  1005.95   53.027    1065.60   74.960    946.210   75.024    88.669  3.1562  83.490  3.3549  5.179047       4.606185 
1 1 1 -16 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 6   28 o 81.678  2.3411  901.078   50.914    974.008   77.258    845.086   67.694    84.534  3.4121  78.821  3.2064  5.712662       4.682236 
1 1 1 -16 6   29 o 35.085  2.2410  167.697   20.327    174.983   32.776    163.144   25.912    35.617  3.4802  34.554  2.8243  1.062229       4.482011 
1 1 1 -16 6   30 o 42.296  2.1557  238.800   23.873    282.389   38.135    210.711   30.614    45.366  3.1581  39.225  2.9351  6.140686       4.311393 
1 1 1 -16 6   31 o 60.206  2.2690  494.560   35.961    517.161   56.375    479.055   46.695    61.203  3.4531  59.210  2.9444  1.992901       4.537956 
1 1 1 -16 6   32 o 73.186  2.3667  734.208   45.903    775.852   70.983    704.276   60.179    74.825  3.5417  71.548  3.1402  3.277824       4.733383 
1 1 1 -16 6   33 f 16.530  3.1435  43.378    14.841    21.550    25.580    54.452    18.221    13.588  5.1353  19.472  3.6270  -5.884439      6.286977 
1 1 1 -16 6   34 o 45.610  2.4077  292.952   28.201    290.144   45.964    294.647   35.713    45.144  3.8377  46.076  2.9087  -0.9315643     4.815413 
1 1 1 -16 6   35 o 23.159  5.2440  83.189    31.774    83.189    31.774    0.0000    0.0000    23.159  5.2440  ?       ?       ?              ?        
1 1 1 -16 6   36 o 14.717  3.2813  33.410    14.400    22.769    26.151    38.040    17.251    13.515  5.1720  15.918  4.0395  -2.402742      6.562536 
1 1 1 -16 6   37 o 37.889  2.5046  195.259   24.326    256.781   41.180    162.282   30.149    42.139  3.6856  33.639  3.3925  8.500023       5.009203 
1 1 1 -16 6   38 o 11.234  3.1298  13.225    14.292    -8.0574   27.227    21.319    16.791    10.199  4.6216  12.270  4.2217  -2.071476      6.259549 
1 1 1 -16 6   39 o 14.879  3.2212  37.287    16.373    -1.8702   31.305    52.030    19.209    11.294  5.0501  18.463  4.0001  -7.168259      6.442343 
1 1 1 -16 6   40 o 13.400  3.4133  27.809    16.356    7.8149    30.547    35.845    19.367    11.832  5.1505  14.968  4.4806  -3.136242      6.826686 
1 1 1 -16 7   1  o 80.221  1.9512  862.914   41.912    832.686   58.920    893.877   59.632    78.797  2.7916  81.644  2.7269  -2.846550      3.902467 
1 1 1 -16 7   2  o 82.906  2.1011  923.541   46.574    975.716   65.356    869.709   66.386    85.294  2.8607  80.518  3.0782  4.775764       4.202271 
1 1 1 -16 7   3  o 205.035 4.0012  5662.58   219.714   5561.00   310.394   5764.58   311.051   203.182 5.7035  206.887 5.6132  -3.704498      8.002331 
1 1 1 -16 7   4  o 129.520 2.7621  2252.85   95.821    2255.11   135.478   2250.59   135.545   129.585 3.9032  129.454 3.9091  0.1306000      5.524166 
1 1 1 -16 7   5  f 102.792 2.3555  1418.06   64.849    1437.38   91.658    1398.70   91.763    103.495 3.3064  102.090 3.3558  1.405396       4.711063 
1 1 1 -16 7   6  o 216.771 4.2305  6335.55   245.630   6352.49   347.258   6318.59   347.490   217.063 5.9728  216.479 5.9929  0.5848541      8.461037 
1 1 1 -16 7   7  o 298.483 5.6645  12080.22  452.804   12309.65  640.299   11850.71  640.424   301.353 7.9326  295.612 8.0883  5.741119       11.32903 
1 1 1 -16 7   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 7   9  o 155.249 3.1702  3241.39   131.776   3129.22   185.939   3354.58   186.783   152.540 4.5509  157.957 4.4148  -5.416641      6.340422 
1 1 1 -16 7   10 o 121.860 2.6515  1994.54   86.543    2001.52   122.099   1987.50   122.684   122.076 3.7342  121.645 3.7653  0.4310837      5.303003 
1 1 1 -16 7   11 o 98.655  2.3554  1307.07   62.209    1349.74   87.739    1263.93   88.215    100.280 3.2666  97.031  3.3942  3.248627       4.710770 
1 1 1 -16 7   12 o 122.925 2.7208  2030.20   89.574    2053.86   126.333   2006.28   127.024   123.649 3.8145  122.202 3.8808  1.447212       5.441585 
1 1 1 -16 7   13 o 157.333 3.2389  3330.42   136.480   3372.30   192.607   3288.18   193.418   158.333 4.5416  156.334 4.6191  1.999146       6.477823 
1 1 1 -16 7   14 o 196.960 3.9130  5231.05   206.413   5140.86   291.379   5321.90   292.447   195.246 5.5717  198.673 5.4957  -3.426788      7.825981 
1 1 1 -16 7   15 o 92.362  2.2923  1145.57   56.696    1161.92   79.751    1128.86   80.617    93.031  3.2005  91.692  3.2825  1.338692       4.584527 
1 1 1 -16 7   16 o 61.867  1.8983  513.386   31.439    489.401   44.040    538.310   44.894    60.392  2.7226  63.342  2.6461  -2.949257      3.796616 
1 1 1 -16 7   17 o 79.489  2.0914  848.487   44.521    857.306   62.666    839.500   63.263    79.908  2.9279  79.070  2.9871  0.8382721      4.182726 
1 1 1 -16 7   18 o 162.733 6.8499  3603.71   298.570   3603.71   298.570   0.0000    0.0000    162.733 6.8499  ?       ?       ?              ?        
1 1 1 -16 7   19 o 109.229 2.4953  1606.01   72.999    1617.74   102.861   1594.12   103.614   109.635 3.5028  108.824 3.5547  0.8112793      4.990541 
1 1 1 -16 7   20 f 7.4266  2.2222  -2.2003   7.8978    -8.5732   10.522    6.0232    11.953    6.0335  2.7856  8.8197  3.4631  -2.786154      4.444384 
1 1 1 -16 7   21 o 46.489  1.8568  292.066   22.980    306.707   32.098    276.672   32.914    47.703  2.5211  45.275  2.7268  2.428185       3.713675 
1 1 1 -16 7   22 o 44.215  1.8583  264.356   21.874    276.641   30.649    251.603   31.227    45.279  2.5374  43.151  2.7156  2.128586       3.716580 
1 1 1 -16 7   23 o 63.870  1.9589  549.890   33.507    554.938   47.102    544.719   47.674    64.171  2.7404  63.569  2.7999  0.6023064      3.917811 
1 1 1 -16 7   24 o 45.183  1.8649  276.139   22.468    272.269   31.431    280.184   32.129    44.860  2.6273  45.506  2.6474  -0.6458778     3.729792 
1 1 1 -16 7   25 o 26.682  1.9674  97.616    13.782    105.544   19.223    89.231    19.770    27.844  2.6080  25.520  2.9465  2.324247       3.934852 
1 1 1 -16 7   26 o 24.355  2.0978  81.810    13.237    96.071    18.927    68.153    18.521    26.522  2.7020  22.188  3.2098  4.334188       4.195622 
1 1 1 -16 7   27 o 40.037  1.9261  217.934   20.529    213.929   28.746    222.104   29.329    39.660  2.7225  40.414  2.7253  -0.7536087     3.852158 
1 1 1 -16 7   28 o 81.998  2.2007  914.949   48.333    910.515   68.071    919.458   68.638    81.800  3.1068  82.196  3.1177  -0.3962097     4.401388 
1 1 1 -16 7   29 o 22.925  2.2147  73.094    13.161    64.293    18.486    82.140    18.742    21.449  3.3254  24.401  2.9259  -2.951836      4.429379 
1 1 1 -16 7   30 o 56.969  2.0146  443.023   30.674    426.870   43.147    459.528   43.616    55.868  2.8933  58.071  2.8041  -2.202721      4.029167 
1 1 1 -16 7   31 o 9.2667  2.5399  7.1535    9.2357    12.509    13.008    1.7090    13.115    10.261  3.6998  8.2725  3.4808  1.988256       5.079825 
1 1 1 -16 7   32 o 24.907  2.5439  92.330    15.351    126.815   21.382    55.644    22.054    30.334  2.6585  19.480  4.3381  10.85407       5.087873 
1 1 1 -16 7   33 o 11.338  2.7212  14.554    12.192    -17.9227  21.506    29.934    14.800    8.3536  3.8994  14.322  3.7966  -5.968094      5.442402 
1 1 1 -16 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 7   35 o 37.044  2.5896  195.656   24.135    202.349   40.945    192.092   29.878    37.147  4.1883  36.941  3.0468  0.2062225      5.179267 
1 1 1 -16 7   36 o 12.019  3.2494  16.292    13.629    21.391    24.863    14.102    16.296    13.140  5.0396  10.898  4.1033  2.242636       6.498818 
1 1 1 -16 7   37 o 16.626  3.2485  46.987    16.440    15.798    29.075    61.643    19.931    12.866  5.2773  20.387  3.7896  -7.521247      6.496956 
1 1 1 -16 7   38 o 40.549  2.8144  246.576   28.051    233.551   48.168    253.260   34.505    38.949  4.7130  42.149  3.0776  -3.200161      5.628868 
1 1 1 -16 7   39 o 18.875  3.6285  52.451    17.138    77.502    33.549    43.606    19.935    21.169  5.7623  16.582  4.4114  4.587223       7.257081 
1 1 1 -16 8   1  o 33.810  1.5467  153.874   13.930    155.776   19.677    151.962   19.723    34.021  2.1707  33.598  2.2039  0.4233513      3.093367 
1 1 1 -16 8   2  o 28.833  1.6209  112.595   12.342    125.273   17.400    99.758    17.509    30.496  2.1438  27.169  2.4317  3.326941       3.241765 
1 1 1 -16 8   3  o 132.557 2.8728  2360.61   101.992   2327.81   144.056   2393.58   144.422   131.631 4.0859  133.482 4.0394  -1.851257      5.745542 
1 1 1 -16 8   4  f 158.833 3.2785  3392.59   139.479   3394.79   197.332   3390.38   197.174   158.885 4.6369  158.782 4.6362  0.1031189      6.557031 
1 1 1 -16 8   5  o 220.723 4.2976  6571.61   254.077   6554.89   359.380   6588.32   359.257   220.440 6.0866  221.006 6.0689  -0.5660400     8.595276 
1 1 1 -16 8   6  o 125.299 2.7138  2108.73   91.077    2107.47   128.790   2110.00   128.813   125.261 3.8386  125.337 3.8370  -0.7533264E-01 5.427502 
1 1 1 -16 8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 8   8  o 134.585 2.8362  2433.80   102.239   2427.27   144.379   2440.37   144.798   134.404 4.0105  134.766 4.0114  -0.3621216     5.672343 
1 1 1 -16 8   9  o 145.892 3.0062  2861.29   117.471   2859.91   165.831   2862.67   166.428   145.858 4.2447  145.927 4.2580  -0.6864929E-01 6.012300 
1 1 1 -16 8   10 o 85.065  2.1681  971.253   49.387    990.491   69.590    951.732   70.100    85.916  3.0240  84.214  3.1077  1.702316       4.336211 
1 1 1 -16 8   11 f 41.055  1.8119  227.119   19.807    234.734   27.789    219.255   28.240    41.763  2.4956  40.347  2.6275  1.416817       3.623788 
1 1 1 -16 8   12 o 147.827 3.0703  2938.79   121.564   2963.37   171.644   2914.05   172.192   148.451 4.3168  147.203 4.3672  1.247742       6.140630 
1 1 1 -16 8   13 o 148.870 3.0667  2980.70   122.274   2931.18   172.530   3030.69   173.316   147.624 4.3634  150.116 4.3104  -2.492722      6.133418 
1 1 1 -16 8   14 o 167.458 3.4150  3776.63   153.172   3780.39   216.277   3772.84   216.961   167.543 4.8194  167.372 4.8396  0.1712646      6.829985 
1 1 1 -16 8   15 o 128.612 2.7703  2224.17   95.432    2224.89   134.616   2223.43   135.310   128.634 3.9071  128.589 3.9286  0.4495239E-01  5.540652 
1 1 1 -16 8   16 o 32.921  1.8282  146.475   15.972    152.873   22.448    139.915   22.730    33.662  2.5077  32.179  2.6610  1.482704       3.656430 
1 1 1 -16 8   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 8   18 o 70.802  2.0545  673.628   38.956    674.784   54.606    672.429   55.590    70.866  2.8769  70.738  2.9340  0.1284027      4.109080 
1 1 1 -16 8   19 o 106.387 2.5138  1525.20   71.608    1562.57   100.959   1487.36   101.582   107.709 3.4995  105.065 3.6097  2.643402       5.027568 
1 1 1 -16 8   20 o 14.757  2.3692  31.111    9.4808    44.825    13.301    16.948    13.517    18.037  2.8476  11.477  3.7872  6.560201       4.738330 
1 1 1 -16 8   21 o 30.227  1.8779  123.749   15.035    116.685   20.929    131.281   21.612    29.324  2.6948  31.130  2.6162  -1.805189      3.755841 
1 1 1 -16 8   22 f 110.115 2.5556  1640.90   75.372    1622.13   106.179   1659.97   107.009   109.479 3.6209  110.752 3.6073  -1.273727      5.111125 
1 1 1 -16 8   23 o 58.730  1.9563  466.723   30.660    493.995   43.036    438.615   43.691    60.529  2.6545  56.931  2.8745  3.597485       3.912673 
1 1 1 -16 8   24 o 46.256  1.8899  290.159   23.283    300.141   32.498    279.632   33.373    47.093  2.5863  45.418  2.7563  1.674847       3.779705 
1 1 1 -16 8   25 o 61.018  2.0036  503.519   32.737    488.063   45.696    519.816   46.922    60.055  2.8408  61.981  2.8263  -1.926056      4.007275 
1 1 1 -16 8   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 8   27 o 47.689  1.9443  309.569   24.705    319.124   34.577    299.604   35.311    48.464  2.6740  46.915  2.8232  1.548843       3.888541 
1 1 1 -16 8   28 o 14.930  2.5349  30.754    10.310    18.770    13.827    45.760    15.472    11.828  3.8263  18.032  3.3261  -6.203648      5.069818 
1 1 1 -16 8   29 o 41.408  1.9490  233.924   21.427    210.379   29.674    259.572   30.971    39.198  2.8457  43.618  2.6638  -4.419067      3.897915 
1 1 1 -16 8   30 o 24.763  2.1664  85.055    14.043    82.005    19.254    88.522    20.526    24.294  3.0245  25.231  3.1025  -0.9373379     4.332815 
1 1 1 -16 8   31 o 51.830  2.0714  370.182   28.618    377.330   39.992    362.681   40.970    52.378  2.8615  51.283  2.9957  1.094383       4.142725 
1 1 1 -16 8   32 o 30.954  2.1227  133.397   17.357    132.335   23.936    134.573   25.207    30.850  2.9319  31.058  3.0703  -0.2075729     4.245364 
1 1 1 -16 8   33 o 33.855  2.1003  160.013   18.844    156.831   26.179    163.435   27.147    33.514  2.9462  34.195  2.9942  -0.6804161     4.200647 
1 1 1 -16 8   34 o 14.608  2.8389  30.715    11.701    21.202    15.673    42.696    17.588    12.277  4.0793  16.940  3.9492  -4.662551      5.677791 
1 1 1 -16 8   35 o 29.743  2.2202  125.722   17.394    127.262   24.079    124.041   25.154    29.988  3.0398  29.499  3.2368  0.4888878      4.440403 
1 1 1 -16 8   36 o 11.306  2.9337  -1.9965   12.840    40.684    23.772    -19.5782  15.258    16.171  4.9898  6.4415  3.0869  9.729052       5.867423 
1 1 1 -16 8   37 o 37.166  2.6634  194.271   25.110    232.263   43.159    174.831   30.873    39.494  4.1415  34.838  3.3499  4.655827       5.326709 
1 1 1 -16 8   38 o 14.863  3.5271  35.371    16.310    26.143    30.401    39.101    19.327    13.957  5.5093  15.769  4.4057  -1.812426      7.054268 
1 1 1 -16 8   39 o 17.862  3.5186  58.008    17.948    35.361    33.647    67.016    21.219    14.913  5.8233  20.811  3.9512  -5.898461      7.037192 
1 1 1 -16 9   1  o 139.904 2.9034  2630.03   108.799   2623.11   153.383   2637.04   154.352   139.720 4.0986  140.088 4.1136  -0.3686981     5.806879 
1 1 1 -16 9   2  o 58.109  1.8296  453.655   28.417    483.556   39.972    423.102   40.406    60.052  2.4851  56.167  2.6858  3.884930       3.659111 
1 1 1 -16 9   3  o 146.649 3.0659  2891.07   120.424   2907.14   170.182   2874.95   170.430   147.059 4.3205  146.238 4.3510  0.8203583      6.131748 
1 1 1 -16 9   4  f 153.886 3.1861  3184.53   131.327   3196.39   185.850   3172.70   185.598   154.173 4.5005  153.599 4.5112  0.5738220      6.372280 
1 1 1 -16 9   5  o 211.069 4.1126  6007.83   232.504   6023.14   329.029   5992.57   328.591   211.338 5.8126  210.799 5.8197  0.5388794      8.225223 
1 1 1 -16 9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 9   7  o 75.954  2.0536  774.176   41.758    803.898   59.149    744.643   58.960    77.410  2.8527  74.498  2.9548  2.912201       4.107154 
1 1 1 -16 9   8  o 232.898 4.5341  7328.56   282.823   7431.10   400.063   7226.13   399.881   234.540 6.3683  231.255 6.4558  3.284790       9.068201 
1 1 1 -16 9   9  o 92.464  2.2482  1147.56   55.672    1124.62   78.617    1170.63   78.847    91.536  3.2065  93.393  3.1520  -1.857269      4.496325 
1 1 1 -16 9   10 o 166.864 3.4415  3748.64   153.792   3818.06   217.357   3679.04   217.632   168.420 4.8183  165.308 4.9152  3.111618       6.882937 
1 1 1 -16 9   11 o 67.209  1.9487  605.946   35.079    603.781   49.454    608.137   49.764    67.088  2.7521  67.329  2.7595  -0.2412415     3.897309 
1 1 1 -16 9   12 o 89.623  2.2203  1078.46   53.285    1100.86   75.093    1055.74   75.623    90.564  3.0957  88.683  3.1836  1.880875       4.440573 
1 1 1 -16 9   13 o 125.091 2.7407  2103.35   91.826    2104.80   129.545   2101.87   130.180   125.136 3.8650  125.046 3.8867  0.8972168E-01  5.481344 
1 1 1 -16 9   14 o 112.469 2.5465  1699.96   76.711    1706.65   108.175   1693.19   108.798   112.694 3.5837  112.245 3.6188  0.4488525      5.093034 
1 1 1 -16 9   15 o 98.563  2.3671  1305.33   62.490    1299.02   88.096    1311.72   88.654    98.324  3.3451  98.803  3.3500  -0.4790726     4.734142 
1 1 1 -16 9   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 9   17 o 102.050 2.4411  1401.37   66.722    1403.46   94.062    1399.25   94.659    102.129 3.4386  101.971 3.4657  0.1571045      4.882106 
1 1 1 -16 9   18 o 88.177  2.2616  1046.27   53.413    1046.86   75.235    1045.66   75.843    88.204  3.1845  88.150  3.2122  0.5425262E-01  4.523185 
1 1 1 -16 9   19 o 19.537  2.2290  52.668    11.195    44.489    15.514    61.555    16.171    17.883  3.3623  21.191  2.9272  -3.308104      4.457972 
1 1 1 -16 9   20 o 90.848  2.2830  1112.78   55.547    1087.88   78.136    1138.23   78.981    89.816  3.2479  91.879  3.2093  -2.062592      4.566066 
1 1 1 -16 9   21 o 11.833  2.5074  19.084    8.5301    18.820    11.394    19.421    12.866    11.696  3.4206  11.970  3.6671  -0.2742672     5.014801 
1 1 1 -16 9   22 o 148.519 3.1906  3011.10   126.924   3020.36   179.153   3001.77   179.843   148.758 4.4963  148.280 4.5282  0.4783783      6.381301 
1 1 1 -16 9   23 o 43.709  1.8728  258.526   21.812    249.615   30.308    268.101   31.415    42.925  2.6490  44.492  2.6481  -1.566917      3.745582 
1 1 1 -16 9   24 o 79.271  2.1883  851.864   46.461    852.638   65.353    851.073   66.064    79.314  3.0763  79.229  3.1131  0.8415985E-01  4.376643 
1 1 1 -16 9   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 9   26 o 25.477  2.0742  89.097    13.870    82.569    19.254    96.141    19.998    24.481  2.9990  26.472  2.8662  -1.991310      4.148344 
1 1 1 -16 9   27 o 39.836  1.9532  216.525   20.698    219.509   28.878    213.373   29.681    40.135  2.7020  39.537  2.8213  0.5981369      3.906489 
1 1 1 -16 9   28 f 43.259  1.9466  255.201   22.410    238.529   31.131    273.134   32.286    41.775  2.7984  44.743  2.7068  -2.967937      3.893272 
1 1 1 -16 9   29 o 38.937  1.9833  208.101   20.507    211.192   28.289    204.678   29.768    39.275  2.7057  38.599  2.9005  0.6759949      3.966564 
1 1 1 -16 9   30 o 51.732  2.0244  368.632   27.861    395.697   39.169    340.917   39.637    53.723  2.7310  49.741  2.9889  3.981823       4.048715 
1 1 1 -16 9   31 o 10.189  2.7277  11.062    10.221    10.018    14.266    12.163    14.651    9.9487  3.8169  10.430  3.8979  -0.4809952     5.455485 
1 1 1 -16 9   32 o 14.365  2.7003  29.918    11.413    45.400    16.068    14.155    16.213    17.712  3.5109  11.017  4.1037  6.695142       5.400627 
1 1 1 -16 9   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 9   34 o 24.554  2.3899  86.377    15.271    80.358    20.919    93.246    22.346    23.615  3.4056  25.493  3.3540  -1.877132      4.779879 
1 1 1 -16 9   35 o 22.920  2.5782  78.369    14.941    93.369    20.572    61.622    21.737    25.609  3.0597  20.231  4.1506  5.377790       5.156487 
1 1 1 -16 9   36 o 38.205  2.2367  209.231   22.436    239.839   31.644    178.294   31.814    41.240  2.8829  35.170  3.4205  6.070362       4.473350 
1 1 1 -16 9   37 o 32.695  2.3231  154.585   20.041    145.286   28.079    164.241   28.613    31.626  3.3666  33.764  3.2022  -2.138144      4.646239 
1 1 1 -16 9   38 o 11.462  2.5639  16.768    11.204    34.891    14.569    -9.4663   17.528    15.096  3.6444  7.8275  3.6074  7.268840       5.127814 
1 1 1 -16 10  1  o 191.312 3.7750  4931.26   193.432   4968.62   273.012   4893.61   274.098   192.046 5.3075  190.578 5.3696  1.468475       7.549974 
1 1 1 -16 10  2  o 200.914 3.9518  5441.75   212.662   5456.42   300.287   5427.00   301.216   201.190 5.5724  200.639 5.6050  0.5508575      7.903619 
1 1 1 -16 10  3  o 79.953  2.0925  857.992   44.791    886.999   63.284    828.877   63.403    81.310  2.9058  78.595  3.0118  2.714348       4.185026 
1 1 1 -16 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 10  5  o 55.193  1.8306  408.539   27.062    412.174   38.392    404.950   38.151    55.437  2.5855  54.948  2.5922  0.4882011      3.661187 
1 1 1 -16 10  6  o 279.425 5.3535  10587.53  400.672   10644.06  566.882   10531.10  566.388   280.178 7.5539  278.672 7.5881  1.506348       10.70700 
1 1 1 -16 10  7  o 135.675 2.9387  2474.81   106.776   2530.97   151.175   2418.91   150.833   137.216 4.1133  134.134 4.1982  3.082291       5.877436 
1 1 1 -16 10  8  o 92.323  2.2473  1144.11   55.569    1132.92   78.643    1155.26   78.530    91.871  3.1959  92.775  3.1602  -0.9036179     4.494517 
1 1 1 -16 10  9  f 130.927 2.8048  2303.84   98.360    2290.96   139.117   2316.71   139.089   130.560 3.9781  131.294 3.9551  -0.7343597     5.609660 
1 1 1 -16 10  10 o 139.761 2.9209  2626.25   109.338   2594.48   154.532   2658.10   154.723   138.912 4.1533  140.611 4.1082  -1.699005      5.841787 
1 1 1 -16 10  11 o 82.725  2.1681  918.530   48.040    913.758   67.771    923.350   68.109    82.509  3.0666  82.941  3.0658  -0.4319916     4.336268 
1 1 1 -16 10  12 o 125.530 2.7473  2118.39   92.371    2112.90   130.388   2123.91   130.878   125.367 3.8830  125.693 3.8875  -0.3256836     5.494550 
1 1 1 -16 10  13 o 45.044  1.8028  273.231   21.649    281.857   30.468    264.436   30.766    45.769  2.4948  44.318  2.6032  1.450871       3.605616 
1 1 1 -16 10  14 o 71.852  2.0578  693.179   39.602    691.598   55.748    694.789   56.268    71.770  2.9000  71.934  2.9204  -0.1640472     4.115673 
1 1 1 -16 10  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 10  16 o 118.056 2.6818  1877.39   84.796    1851.15   119.538   1903.96   120.305   117.223 3.8072  118.889 3.7779  -1.665886      5.363530 
1 1 1 -16 10  17 o 126.464 2.7922  2157.62   94.578    2147.57   133.375   2167.79   134.136   126.168 3.9467  126.760 3.9507  -0.5914307     5.584321 
1 1 1 -16 10  18 o 134.726 2.9039  2453.63   104.785   2421.09   147.731   2486.58   148.651   133.823 4.1215  135.630 4.0919  -1.807098      5.807755 
1 1 1 -16 10  19 o 41.869  1.8848  237.004   21.007    242.785   29.334    230.917   30.098    42.405  2.5951  41.333  2.7341  1.072102       3.769601 
1 1 1 -16 10  20 o 53.804  1.9239  390.915   27.634    388.499   38.816    393.398   39.349    53.637  2.7107  53.971  2.7309  -0.3346062     3.847777 
1 1 1 -16 10  21 o 158.571 3.3240  3437.66   141.176   3402.58   199.237   3473.03   200.070   157.748 4.7154  159.393 4.6862  -1.644974      6.647965 
1 1 1 -16 10  22 o 80.639  2.1931  880.177   47.364    884.578   66.632    875.682   67.340    80.849  3.0769  80.428  3.1259  0.4209595      4.386204 
1 1 1 -16 10  23 o 46.438  1.9115  292.394   23.668    290.074   33.108    294.818   33.848    46.253  2.6840  46.623  2.7223  -0.3696632     3.822912 
1 1 1 -16 10  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 10  25 o 47.785  1.9541  311.046   24.854    326.111   34.717    295.205   35.599    49.006  2.6548  46.564  2.8682  2.441296       3.908259 
1 1 1 -16 10  26 o 15.045  2.6324  32.264    10.555    33.591    14.912    30.933    14.942    15.355  3.6746  14.735  3.7703  0.6200180      5.264764 
1 1 1 -16 10  27 o 6.3827  2.0328  -5.2326   7.2680    -6.7958   9.7005    -3.2322   10.974    5.9007  2.7061  6.8646  3.0341  -0.9639249     4.065560 
1 1 1 -16 10  28 o 8.6241  2.3833  4.9994    8.4760    11.914    11.446    -3.3953   12.612    9.8699  3.4800  7.3783  3.2574  2.491546       4.766626 
1 1 1 -16 10  29 o 33.806  2.0141  157.131   18.038    145.781   24.863    169.742   26.208    32.500  2.8862  35.113  2.8102  -2.613228      4.028279 
1 1 1 -16 10  30 o 12.686  2.8273  22.631    10.723    23.381    14.585    21.748    15.820    12.825  3.8995  12.546  4.0950  0.2791014      5.654623 
1 1 1 -16 10  31 o 10.459  2.7043  13.095    9.8765    14.141    13.414    11.857    14.595    10.594  3.7639  10.324  3.8841  0.2697105      5.408608 
1 1 1 -16 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 10  33 o 19.321  2.6590  54.553    13.235    47.670    17.947    62.761    19.597    17.924  3.8529  20.718  3.6656  -2.794258      5.318012 
1 1 1 -16 10  34 o 16.976  2.8451  43.552    12.995    56.922    18.553    30.677    18.206    19.667  3.6566  14.285  4.3597  5.381823       5.690139 
1 1 1 -16 10  35 o 25.999  2.4296  98.132    16.448    104.114   22.998    91.868    23.533    26.920  3.2556  25.078  3.6073  1.841904       4.859161 
1 1 1 -16 10  36 o 27.880  2.4030  112.642   17.432    96.596    23.951    130.714   25.419    25.631  3.5871  30.129  3.1987  -4.498407      4.806096 
1 1 1 -16 10  37 o 28.867  2.3813  122.354   18.027    122.924   24.795    121.715   26.256    29.028  3.2446  28.707  3.4863  0.3207378      4.762506 
1 1 1 -16 11  1  o 143.752 2.9847  2778.46   114.920   2773.98   162.021   2782.98   163.025   143.637 4.2113  143.867 4.2306  -0.2303009     5.969348 
1 1 1 -16 11  2  o 66.423  4.0403  595.198   71.541    0.0000    0.0000    595.198   71.541    ?       ?       66.423  4.0403  ?              ?        
1 1 1 -16 11  3  o 163.322 6.8072  3609.39   297.783   3609.39   297.783   0.0000    0.0000    163.322 6.8072  ?       ?       ?              ?        
1 1 1 -16 11  4  o 115.612 2.5888  1795.62   80.156    1763.66   113.405   1827.53   113.311   114.581 3.6951  116.644 3.6268  -2.062943      5.177613 
1 1 1 -16 11  5  o 152.737 3.1614  3138.93   129.306   3068.55   183.053   3209.02   182.679   151.020 4.5254  154.455 4.4157  -3.434875      6.322767 
1 1 1 -16 11  6  o 25.912  1.8690  90.998    12.774    96.600    18.199    85.559    17.933    26.714  2.5754  25.109  2.7094  1.604368       3.738093 
1 1 1 -16 11  7  o 62.582  1.9525  525.397   32.727    532.161   46.486    518.750   46.083    62.982  2.7556  62.183  2.7668  0.7990646      3.904949 
1 1 1 -16 11  8  o 132.618 2.8227  2364.06   100.266   2371.34   141.920   2356.80   141.676   132.822 3.9892  132.414 3.9946  0.4084015      5.645402 
1 1 1 -16 11  9  o 172.608 3.4759  4012.99   160.698   3989.08   227.324   4036.87   227.199   172.091 4.9317  173.125 4.8996  -1.034073      6.951815 
1 1 1 -16 11  10 o 51.685  1.8432  358.811   25.468    367.797   36.173    349.978   35.864    52.362  2.5791  51.008  2.6340  1.353676       3.686425 
1 1 1 -16 11  11 o 89.764  2.2399  1082.04   53.846    1059.96   76.092    1104.19   76.207    88.845  3.1976  90.684  3.1374  -1.839462      4.479722 
1 1 1 -16 11  12 o 51.329  1.8581  354.143   25.478    337.818   35.939    370.637   36.125    50.101  2.6879  52.558  2.5662  -2.457077      3.716204 
1 1 1 -16 11  13 o 54.434  1.8922  398.312   27.535    407.156   38.859    389.392   39.023    55.077  2.6341  53.790  2.7173  1.286892       3.784483 
1 1 1 -16 11  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 11  15 o 108.681 2.5411  1590.50   73.968    1597.16   104.343   1583.78   104.873   108.912 3.5768  108.450 3.6103  0.4624329      5.082141 
1 1 1 -16 11  16 o 89.889  2.2912  1087.60   55.162    1079.19   77.702    1096.16   78.324    89.539  3.2399  90.239  3.2405  -0.7009735     4.582347 
1 1 1 -16 11  17 o 136.007 2.9142  2501.26   106.159   2469.76   149.686   2533.14   150.582   135.141 4.1353  136.873 4.1074  -1.731857      5.828492 
1 1 1 -16 11  18 o 24.301  1.9548  80.459    12.494    78.462    17.403    82.583    17.947    23.987  2.7589  24.616  2.7702  -0.6280613     3.909691 
1 1 1 -16 11  19 o 41.333  1.8609  230.996   20.490    231.402   28.702    230.574   29.261    41.374  2.6032  41.291  2.6598  0.8289337E-01  3.721747 
1 1 1 -16 11  20 o 42.675  1.8658  246.458   21.219    247.982   29.819    244.895   30.201    42.814  2.6128  42.537  2.6642  0.2768250      3.731568 
1 1 1 -16 11  21 o 95.737  2.3854  1243.15   61.163    1251.83   86.116    1234.31   86.884    96.085  3.3461  95.390  3.4005  0.6942215      4.770736 
1 1 1 -16 11  22 o 9.3082  2.4238  9.2101    8.0187    11.691    11.290    6.6840    11.391    9.8518  3.4576  8.7645  3.3977  1.087338       4.847598 
1 1 1 -16 11  23 o 37.587  2.7528  192.229   27.521    0.0000    0.0000    192.229   27.521    ?       ?       37.587  2.7528  ?              ?        
1 1 1 -16 11  24 o 79.939  2.1927  868.657   46.945    863.447   65.828    874.048   66.965    79.702  3.0836  80.176  3.1183  -0.4744110     4.385460 
1 1 1 -16 11  25 o 52.537  1.9838  375.997   27.800    383.870   38.973    367.841   39.667    53.116  2.7487  51.958  2.8613  1.157990       3.967661 
1 1 1 -16 11  26 o 16.946  2.5146  41.364    11.050    48.631    15.277    33.390    16.002    18.622  3.1768  15.270  3.8990  3.352674       5.029297 
1 1 1 -16 11  27 o 25.470  2.1544  90.732    14.220    103.113   19.838    77.647    20.394    27.378  2.7421  23.563  3.3236  3.815418       4.308772 
1 1 1 -16 11  28 o 50.069  2.0056  344.569   26.749    357.386   37.387    331.129   38.286    51.066  2.7434  49.072  2.9262  1.994312       4.011112 
1 1 1 -16 11  29 o 25.025  2.2658  87.621    14.816    82.171    20.353    93.764    21.608    24.181  3.2226  25.868  3.1860  -1.687267      4.531655 
1 1 1 -16 11  30 o 42.664  2.0409  252.365   23.181    250.646   32.428    254.161   33.149    42.526  2.8636  42.802  2.9087  -0.2753868     4.081779 
1 1 1 -16 11  31 o 6.5588  3.0687  -12.1752  13.446    0.0000    0.0000    -12.1752  13.446    ?       ?       6.5588  3.0687  ?              ?        
1 1 1 -16 11  32 o 20.126  2.6179  59.006    13.442    40.317    18.214    81.357    19.919    16.371  4.1486  23.880  3.1942  -7.508835      5.235790 
1 1 1 -16 11  33 o 19.185  2.7337  54.340    13.542    47.526    18.420    62.352    19.975    17.811  3.9634  20.560  3.7660  -2.749599      5.467310 
1 1 1 -16 11  34 o 22.616  2.5733  74.211    14.847    57.578    20.025    94.516    22.125    19.611  3.9488  25.622  3.3007  -6.010344      5.146595 
1 1 1 -16 11  35 o 12.491  3.0874  22.121    12.823    25.829    17.882    18.196    18.399    13.184  4.3562  11.798  4.3762  1.385077       6.174755 
1 1 1 -16 11  36 f 12.987  2.9429  25.441    11.826    31.734    16.589    18.938    16.863    14.304  4.1114  11.670  4.2118  2.633837       5.885793 
1 1 1 -16 12  1  o 141.959 4.2109  2726.09   159.799   2556.22   227.527   2891.44   224.485   137.543 6.1760  146.375 5.7257  -8.832077      8.421819 
1 1 1 -16 12  2  o 134.183 2.8881  2420.65   103.790   2379.79   146.345   2462.00   147.223   133.040 4.1068  135.325 4.0617  -2.284317      5.776103 
1 1 1 -16 12  3  o 142.058 3.0076  2714.41   114.404   2632.87   161.488   2796.56   162.096   139.908 4.3093  144.208 4.1966  -4.299728      6.015103 
1 1 1 -16 12  4  o 164.046 3.3282  3622.82   146.234   3652.80   206.847   3592.87   206.765   164.728 4.6881  163.365 4.7253  1.363693       6.656301 
1 1 1 -16 12  5  o 106.990 2.5127  1538.01   71.975    1487.82   101.848   1588.08   101.730   105.240 3.6131  108.739 3.4928  -3.498901      5.025339 
1 1 1 -16 12  6  o 102.799 2.4249  1419.19   66.768    1420.13   94.646    1418.27   94.203    102.832 3.4362  102.766 3.4224  0.6643677E-01  4.849784 
1 1 1 -16 12  7  o 126.722 2.7698  2158.68   94.008    2139.94   133.194   2177.28   132.701   126.171 3.9413  127.273 3.8927  -1.101593      5.539541 
1 1 1 -16 12  8  o 153.941 3.1578  3189.46   130.203   3209.17   184.341   3169.84   183.930   154.417 4.4569  153.465 4.4746  0.9521027      6.315565 
1 1 1 -16 12  9  o 141.137 2.9703  2680.01   112.284   2705.40   158.962   2654.73   158.625   141.807 4.1851  140.468 4.2160  1.338852       5.940572 
1 1 1 -16 12  10 o 120.577 2.6832  1955.04   86.650    1924.82   122.595   1985.21   122.490   119.642 3.8256  121.512 3.7635  -1.870110      5.366490 
1 1 1 -16 12  11 o 66.904  1.9760  600.902   35.404    614.927   50.171    586.991   49.967    67.683  2.7675  66.124  2.8212  1.558304       3.951967 
1 1 1 -16 12  12 o 90.415  2.2952  1098.72   55.584    1095.78   78.603    1101.67   78.613    90.294  3.2501  90.536  3.2418  -0.2428665     4.590420 
1 1 1 -16 12  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 12  14 o 46.764  1.8741  294.762   23.373    300.826   33.018    288.671   33.091    47.251  2.6191  46.277  2.6812  0.9741707      3.748105 
1 1 1 -16 12  15 o 35.170  1.9018  167.734   17.693    185.467   25.000    149.938   25.045    37.067  2.5332  33.272  2.8374  3.795261       3.803615 
1 1 1 -16 12  16 o 134.693 2.9254  2454.39   105.539   2432.05   148.873   2476.96   149.639   134.074 4.1456  135.312 4.1287  -1.237808      5.850826 
1 1 1 -16 12  17 o 46.648  1.8989  293.814   23.597    275.313   33.072    313.001   33.680    45.138  2.7485  48.158  2.6209  -3.019379      3.797801 
1 1 1 -16 12  18 o 30.104  1.8839  123.432   14.975    132.360   20.906    114.025   21.459    31.256  2.5186  28.952  2.8023  2.303673       3.767772 
1 1 1 -16 12  19 o 86.079  2.2452  1002.17   51.761    1007.40   72.807    996.826   73.601    86.313  3.1493  85.845  3.2009  0.4677048      4.490424 
1 1 1 -16 12  20 o 60.743  1.9793  498.956   32.175    516.197   45.145    481.157   45.868    61.824  2.7263  59.661  2.8703  2.162292       3.958697 
1 1 1 -16 12  21 o 29.972  1.9495  122.496   15.466    123.056   21.539    121.901   22.221    30.053  2.7048  29.890  2.8084  0.1622543      3.899097 
1 1 1 -16 12  22 o 41.940  2.2293  239.915   24.020    241.362   39.375    239.057   30.314    41.937  3.5384  41.944  2.7128  -0.7099152E-02 4.458681 
1 1 1 -16 12  23 o 58.194  1.9803  458.855   30.851    438.665   43.066    480.138   44.216    56.873  2.8271  59.515  2.7737  -2.641674      3.960577 
1 1 1 -16 12  24 o 40.323  1.9481  221.592   20.904    219.302   29.059    224.046   30.092    40.115  2.7206  40.531  2.7889  -0.4158821     3.896113 
1 1 1 -16 12  25 o 22.016  2.2444  67.504    12.847    67.673    17.916    67.326    18.431    22.059  3.1194  21.973  3.2279  0.8580208E-01  4.488858 
1 1 1 -16 12  26 o 59.517  2.0553  484.760   32.675    502.632   45.876    466.359   46.549    60.701  2.8216  58.333  2.9893  2.367569       4.110657 
1 1 1 -16 12  27 o 31.070  2.0727  133.328   17.034    131.781   23.614    135.005   24.596    30.895  2.8870  31.245  2.9749  -0.3501568     4.145445 
1 1 1 -16 12  28 o 36.364  2.0612  182.799   19.896    179.313   27.594    186.574   28.714    36.012  2.8850  36.715  2.9446  -0.7024727     4.122352 
1 1 1 -16 12  29 o 21.928  2.4135  68.777    13.652    75.089    19.150    62.252    19.469    23.057  3.1858  20.800  3.6264  2.257711       4.827083 
1 1 1 -16 12  30 o 19.114  2.6630  53.726    13.127    61.469    18.457    45.801    18.674    20.662  3.4573  17.567  4.0515  3.094471       5.326056 
1 1 1 -16 12  31 o 10.580  2.8034  12.938    10.773    10.291    15.046    15.722    15.433    10.041  3.9014  11.120  4.0268  -1.078889      5.606763 
1 1 1 -16 12  32 o 38.853  2.1523  214.452   22.027    238.502   30.712    188.979   31.608    41.277  2.7943  36.428  3.2744  4.849079       4.304597 
1 1 1 -16 12  33 o 31.731  2.2212  143.062   18.537    126.273   25.614    161.529   26.863    29.684  3.2761  33.779  3.0003  -4.095150      4.442370 
1 1 1 -16 12  34 o 13.470  2.8770  26.942    12.240    39.866    16.707    11.965    17.984    16.220  3.8946  10.720  4.2356  5.499771       5.754031 
1 1 1 -16 12  35 o 12.708  3.0236  23.905    12.147    21.869    16.508    26.309    17.939    12.232  4.1868  13.183  4.3634  -0.9509163     6.047225 
1 1 1 -16 12  36 o 9.3832  2.7148  6.1499    10.892    0.4626    14.297    14.014    16.812    8.1005  3.5249  10.666  4.1297  -2.565398      5.429529 
1 1 1 -16 13  1  o 54.025  1.8268  391.843   26.413    406.039   37.119    377.280   37.594    55.020  2.5188  53.031  2.6466  1.988506       3.653614 
1 1 1 -16 13  2  o 79.855  2.1015  855.839   44.947    855.830   63.268    855.849   63.866    79.855  2.9580  79.854  2.9860  0.7095337E-03  4.203034 
1 1 1 -16 13  3  o 177.842 3.6084  4263.16   171.829   4131.90   242.628   4395.25   243.381   175.079 5.1739  180.604 5.0312  -5.525116      7.216782 
1 1 1 -16 13  4  o 101.982 2.4216  1396.88   66.143    1375.19   93.429    1418.68   93.652    101.186 3.4473  102.778 3.4020  -1.591576      4.843241 
1 1 1 -16 13  5  o 36.650  1.8348  181.106   17.892    177.312   25.303    184.901   25.304    36.261  2.6229  37.038  2.5665  -0.7770348     3.669628 
1 1 1 -16 13  6  o 225.534 4.3922  6879.09   265.328   6862.92   375.447   6895.22   375.013   225.265 6.2225  225.802 6.2005  -0.5372009     8.784433 
1 1 1 -16 13  7  o 64.748  1.9822  562.670   34.372    553.067   48.653    572.239   48.566    64.195  2.8296  65.301  2.7767  -1.105698      3.964403 
1 1 1 -16 13  8  o 248.556 4.7832  8379.40   318.444   8387.30   450.633   8371.52   450.063   248.673 6.7656  248.439 6.7634  0.2330780      9.566437 
1 1 1 -16 13  9  o 32.111  1.8643  139.885   15.810    125.887   22.552    153.413   22.169    30.497  2.7918  33.725  2.4715  -3.227900      3.728570 
1 1 1 -16 13  10 o 46.815  1.8557  295.224   23.162    284.580   32.816    305.790   32.697    45.966  2.6770  47.663  2.5707  -1.697910      3.711442 
1 1 1 -16 13  11 o 138.158 2.9660  2572.84   109.756   2592.79   155.292   2552.93   155.145   138.697 4.1802  137.620 4.2089  1.076416       5.932010 
1 1 1 -16 13  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 13  13 o 65.675  2.0010  579.842   35.199    576.465   49.817    583.209   49.740    65.483  2.8403  65.867  2.8194  -0.3837891     4.002002 
1 1 1 -16 13  14 o 107.544 2.5144  1559.73   72.419    1586.96   102.375   1532.44   102.458   108.491 3.5230  106.598 3.5885  1.893257       5.028783 
1 1 1 -16 13  15 o 57.614  1.9494  446.644   30.081    439.064   42.334    454.375   42.752    57.120  2.7670  58.109  2.7468  -0.9894104     3.898861 
1 1 1 -16 13  16 o 34.691  1.8615  163.042   17.130    150.529   24.113    175.792   24.340    33.325  2.7252  36.057  2.5365  -2.731598      3.722982 
1 1 1 -16 13  17 o 84.611  2.2341  967.001   50.616    935.475   71.199    999.215   71.971    83.208  3.1946  86.013  3.1240  -2.804604      4.468201 
1 1 1 -16 13  18 o 43.449  1.8621  255.429   21.552    242.460   30.185    268.918   30.783    42.313  2.6772  44.585  2.5888  -2.272751      3.724127 
1 1 1 -16 13  19 o 74.119  2.1225  743.369   42.134    731.604   59.168    755.474   60.015    73.524  3.0045  74.715  2.9989  -1.191261      4.245042 
1 1 1 -16 13  20 o 45.768  1.9108  284.048   23.309    272.332   32.591    296.316   33.350    44.793  2.7294  46.743  2.6748  -1.949730      3.821562 
1 1 1 -16 13  21 o 42.180  2.2810  246.697   24.484    230.309   40.097    256.440   30.917    40.905  3.6997  43.454  2.6692  -2.548306      4.562080 
1 1 1 -16 13  22 f 18.247  2.3636  46.723    11.120    46.135    15.437    47.357    16.033    18.134  3.2998  18.360  3.3850  -0.2260056     4.727227 
1 1 1 -16 13  23 o 22.553  2.2269  70.598    13.083    71.503    18.445    69.682    18.562    22.709  3.1144  22.396  3.1839  0.3129272      4.453829 
1 1 1 -16 13  24 o 32.625  2.0050  145.769   17.328    137.041   24.114    155.088   24.917    31.597  2.8809  33.653  2.7894  -2.055748      4.010052 
1 1 1 -16 13  25 o 8.7453  2.3845  4.7454    8.4439    -3.4399   11.667    13.749    12.236    7.0619  3.1245  10.429  3.6030  -3.366764      4.769078 
1 1 1 -16 13  26 o 45.828  2.0028  289.519   24.348    316.341   34.152    261.794   34.721    48.068  2.6630  43.588  2.9921  4.480476       4.005548 
1 1 1 -16 13  27 o 33.574  2.0905  156.219   18.606    153.567   26.146    158.939   26.482    33.280  2.9641  33.867  2.9487  -0.5870247     4.181007 
1 1 1 -16 13  28 o 11.183  2.5389  13.749    10.164    30.522    14.363    -3.0725   14.384    14.465  3.6941  7.9016  3.4840  6.563494       5.077881 
1 1 1 -16 13  29 o 10.235  2.5906  9.6527    10.033    -2.9429   13.899    23.356    14.497    7.7490  3.4203  12.721  3.8919  -4.971901      5.181226 
1 1 1 -16 13  30 f 14.933  3.0590  33.207    12.685    32.656    16.057    34.120    20.688    14.798  3.9692  15.068  4.6558  -0.2699099     6.118048 
1 1 1 -16 13  31 o 51.005  2.1169  365.840   28.783    365.074   40.152    366.651   41.282    50.983  2.9529  51.028  3.0341  -0.4447937E-01 4.233828 
1 1 1 -16 13  32 f 7.3083  2.3272  -5.9693   9.5924    -9.8490   12.935    -1.2282   14.299    6.5904  3.0588  8.0262  3.5081  -1.435752      4.654316 
1 1 1 -16 13  33 o 16.130  2.9891  39.974    13.051    39.501    17.919    40.508    19.047    16.059  4.1396  16.200  4.3130  -0.1409569     5.978126 
1 1 1 -16 13  34 o 10.483  2.8023  12.784    11.209    19.490    15.014    4.3401    16.848    11.655  3.9928  9.3111  3.9329  2.343513       5.604524 
1 1 1 -16 13  35 o 13.304  2.7756  23.526    12.557    1.4752    17.167    48.894    18.413    8.9078  3.8693  17.699  3.9806  -8.791527      5.551290 
1 1 1 -16 14  1  o 170.621 3.4270  3922.17   156.588   3821.64   220.733   4024.01   222.173   168.411 4.8934  172.832 4.7993  -4.421448      6.854085 
1 1 1 -16 14  2  o 71.474  2.0154  685.496   38.570    660.813   54.195    710.831   54.905    70.169  2.8835  72.780  2.8165  -2.610710      4.030820 
1 1 1 -16 14  3  o 60.702  1.9216  494.525   31.204    462.564   43.837    527.352   44.426    58.711  2.7876  62.694  2.6456  -3.983192      3.843169 
1 1 1 -16 14  4  o 177.116 3.6005  4230.20   170.807   4215.69   241.496   4244.72   241.619   176.811 5.0993  177.422 5.0843  -0.6111755     7.200945 
1 1 1 -16 14  5  o 78.889  2.1275  835.548   44.955    835.577   63.629    835.519   63.525    78.890  3.0112  78.888  3.0064  0.2418518E-02  4.255066 
1 1 1 -16 14  6  o 129.128 2.8563  2244.00   98.759    2180.60   139.747   2307.25   139.588   127.296 4.0986  130.959 3.9794  -3.662460      5.712666 
1 1 1 -16 14  7  o 75.131  2.1060  758.009   42.380    754.716   60.045    761.278   59.825    74.968  2.9903  75.294  2.9664  -0.3268051     4.212039 
1 1 1 -16 14  8  o 66.633  2.0183  596.368   36.012    581.836   51.051    610.761   50.806    65.823  2.8956  67.444  2.8125  -1.621559      4.036663 
1 1 1 -16 14  9  o 57.328  1.9667  441.483   30.191    431.722   42.818    451.134   42.577    56.696  2.8196  57.961  2.7425  -1.265083      3.933402 
1 1 1 -16 14  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 14  11 o 64.790  2.0157  564.253   34.981    563.650   49.474    564.857   49.466    64.755  2.8524  64.824  2.8489  -0.6957245E-01 4.031459 
1 1 1 -16 14  12 o 61.624  2.0162  510.785   33.274    502.332   47.181    519.149   46.933    61.114  2.8823  62.134  2.8201  -1.020210      4.032444 
1 1 1 -16 14  13 o 59.319  1.9788  474.342   31.330    508.821   44.480    440.394   44.137    61.507  2.7000  57.131  2.8937  4.375309       3.957685 
1 1 1 -16 14  14 f 99.336  2.3932  1331.87   63.672    1347.38   90.025    1316.34   90.067    99.919  3.3637  98.753  3.4051  1.166641       4.786376 
1 1 1 -16 14  15 o 61.783  1.9674  514.367   32.555    521.608   46.032    507.122   46.046    62.221  2.7621  61.345  2.8024  0.8754768      3.934759 
1 1 1 -16 14  16 f 38.631  1.8632  202.137   19.152    209.315   27.056    194.927   27.115    39.330  2.5827  37.931  2.6862  1.398216       3.726394 
1 1 1 -16 14  17 o 83.677  2.2294  947.684   49.967    947.191   70.480    948.182   70.850    83.657  3.1454  83.697  3.1604  -0.3955078E-01 4.458872 
1 1 1 -16 14  18 o 91.491  2.3183  1135.66   56.804    1109.99   80.026    1161.73   80.644    90.440  3.3036  92.542  3.2535  -2.102249      4.636669 
1 1 1 -16 14  19 o 16.847  2.3166  39.843    10.077    40.510    14.232    39.172    14.269    16.998  3.2443  16.696  3.3078  0.3014412      4.633261 
1 1 1 -16 14  20 o 30.437  2.7646  126.488   22.293    0.0000    0.0000    126.488   22.293    ?       ?       30.437  2.7646  ?              ?        
1 1 1 -16 14  21 f 21.790  2.1847  65.710    12.384    63.036    17.125    68.642    17.929    21.318  3.0892  22.263  3.0901  -0.9449596     4.369409 
1 1 1 -16 14  22 o 32.124  1.9640  141.205   16.726    143.749   23.515    138.599   23.797    32.430  2.7327  31.818  2.8215  0.6115742      3.927900 
1 1 1 -16 14  23 o 18.007  2.4989  46.307    11.603    29.630    16.005    64.785    16.847    14.414  4.0030  21.600  2.9923  -7.186084      4.997756 
1 1 1 -16 14  24 o 53.195  2.0228  387.394   28.710    384.752   40.172    390.153   41.046    53.018  2.8392  53.372  2.8819  -0.3542099     4.045572 
1 1 1 -16 14  25 o 9.1634  2.4973  6.5495    9.0974    -0.9516   12.935    13.892    12.798    7.8073  3.3750  10.519  3.6818  -2.712016      4.994635 
1 1 1 -16 14  26 o 19.328  2.5554  53.529    12.692    42.932    17.502    65.281    18.432    17.176  3.8942  21.480  3.3099  -4.304466      5.110825 
1 1 1 -16 14  27 f 37.699  2.1199  199.030   21.065    219.435   29.313    177.240   30.293    39.827  2.7651  35.572  3.2141  4.254711       4.239786 
1 1 1 -16 14  28 o 35.232  2.1319  174.329   19.850    187.534   27.829    160.652   28.322    36.681  2.8549  33.782  3.1669  2.899254       4.263814 
1 1 1 -16 14  29 o 22.065  3.5189  70.489    20.098    70.489    20.098    0.0000    0.0000    22.065  3.5189  ?       ?       ?              ?        
1 1 1 -16 14  30 f 27.160  2.3376  106.014   16.582    112.762   23.089    98.826    23.829    28.164  3.1128  26.156  3.4883  2.007395       4.675247 
1 1 1 -16 14  31 f 24.479  2.4319  86.671    15.491    82.456    21.405    91.307    22.447    23.839  3.4528  25.119  3.4257  -1.280376      4.863880 
1 1 1 -16 14  32 o 11.727  2.7522  17.585    11.463    32.001    15.677    1.0265    16.802    14.531  3.9322  8.9222  3.8517  5.609291       5.504388 
1 1 1 -16 14  33 o 8.9428  2.5584  -0.0135   10.576    -14.2497  14.204    17.695    15.842    6.5170  3.0815  11.369  4.0848  -4.851631      5.116765 
1 1 1 -16 14  34 o 10.542  2.7367  12.015    11.418    25.582    15.562    -3.8037   16.805    12.873  4.0480  8.2118  3.6839  4.660849       5.473331 
1 1 1 -16 15  1  o 55.071  1.8641  407.138   27.482    420.250   38.747    393.862   38.987    55.966  2.5848  54.176  2.6867  1.789665       3.728203 
1 1 1 -16 15  2  o 88.231  2.2270  1045.37   52.620    1017.08   74.015    1074.29   74.822    87.022  3.1754  89.440  3.1233  -2.418251      4.454016 
1 1 1 -16 15  3  o 30.191  1.9251  124.498   15.133    149.400   21.443    99.787    21.360    33.284  2.4219  27.097  2.9930  6.186384       3.850137 
1 1 1 -16 15  4  o 91.530  2.2793  1125.52   55.879    1126.83   78.884    1124.20   79.166    91.585  3.2157  91.476  3.2310  0.1083450      4.558533 
1 1 1 -16 15  5  o 69.947  2.0499  657.051   38.394    635.944   54.157    678.377   54.438    68.815  2.9382  71.079  2.8594  -2.263916      4.099883 
1 1 1 -16 15  6  o 86.452  2.2388  1004.39   51.839    996.960   73.421    1011.77   73.202    86.132  3.1825  86.772  3.1496  -0.6402893     4.477517 
1 1 1 -16 15  7  o 111.271 2.5957  1666.42   77.355    1697.74   109.620   1635.35   109.174   112.317 3.6438  110.226 3.6978  2.091011       5.191467 
1 1 1 -16 15  8  f 63.733  1.9935  545.920   34.020    533.283   48.287    558.376   47.938    62.998  2.8616  64.469  2.7761  -1.471443      3.986962 
1 1 1 -16 15  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 15  10 o 54.267  1.9761  396.443   28.640    419.453   40.854    374.207   40.161    55.859  2.7305  52.675  2.8572  3.184525       3.952121 
1 1 1 -16 15  11 o 50.528  1.9042  344.306   25.677    343.104   36.477    345.486   36.149    50.438  2.7100  50.618  2.6758  -0.1797409     3.808407 
1 1 1 -16 15  12 o 67.930  2.0357  621.302   37.038    625.947   52.496    616.698   52.265    68.183  2.8745  67.677  2.8833  0.5067291      4.071349 
1 1 1 -16 15  13 o 68.769  2.0410  637.339   37.588    652.577   53.228    622.183   53.087    69.594  2.8555  67.945  2.9171  1.648972       4.082051 
1 1 1 -16 15  14 o 61.540  1.9803  510.635   32.642    507.001   46.160    514.270   46.165    61.320  2.8104  61.761  2.7907  -0.4409676     3.960620 
1 1 1 -16 15  15 o 42.552  1.8724  245.067   21.226    236.023   29.811    254.367   30.230    41.747  2.6802  43.357  2.6154  -1.609291      3.744812 
1 1 1 -16 15  16 o 75.022  2.1198  761.482   42.595    752.171   60.155    770.846   60.321    74.559  3.0122  75.486  2.9834  -0.9272461     4.239625 
1 1 1 -16 15  17 o 41.118  1.8964  229.555   20.757    219.871   29.340    239.259   29.371    40.235  2.7388  42.002  2.6238  -1.767590      3.792824 
1 1 1 -16 15  18 o 39.265  1.9018  209.613   19.873    214.136   27.964    204.997   28.248    39.704  2.6447  38.825  2.7338  0.8790321      3.803675 
1 1 1 -16 15  19 o 30.500  4.7584  131.663   37.604    0.0000    0.0000    131.663   37.604    ?       ?       30.500  4.7584  ?              ?        
1 1 1 -16 15  20 o 37.128  1.9536  188.608   19.193    208.060   27.071    168.948   27.215    39.107  2.5992  35.148  2.9172  3.959370       3.907175 
1 1 1 -16 15  21 o 18.336  2.4237  47.695    11.431    52.331    15.875    42.704    16.472    19.345  3.1739  17.327  3.6638  2.017843       4.847420 
1 1 1 -16 15  22 o 32.079  2.0058  141.285   17.006    128.513   23.826    154.547   24.280    30.559  2.9474  33.598  2.7213  -3.039463      4.011611 
1 1 1 -16 15  23 o 72.339  2.1555  716.784   41.760    704.047   58.659    729.874   59.465    71.684  3.0551  72.994  3.0415  -1.310272      4.310960 
1 1 1 -16 15  24 o 37.829  2.0188  197.072   20.297    190.183   28.477    204.185   28.936    37.142  2.8851  38.515  2.8246  -1.372795      4.037605 
1 1 1 -16 15  25 o 8.6441  2.4053  2.0405    9.0545    -9.3590   12.478    14.719    13.159    6.5670  3.0325  10.721  3.7346  -4.154078      4.810701 
1 1 1 -16 15  26 o 36.815  2.0922  188.459   20.365    166.831   28.298    211.694   29.330    34.551  3.0905  39.079  2.8211  -4.528595      4.184416 
1 1 1 -16 15  27 o 44.296  2.1048  274.003   24.736    245.610   34.530    303.934   35.453    41.851  3.1024  46.740  2.8454  -4.888741      4.209691 
1 1 1 -16 15  28 o 37.192  3.0105  194.547   29.732    194.547   29.732    0.0000    0.0000    37.192  3.0105  ?       ?       ?              ?        
1 1 1 -16 15  29 o 6.6280  2.1473  -9.9389   8.9458    -1.1644   12.536    -19.0436  12.770    7.5462  3.2918  5.7098  2.7581  1.836407       4.294538 
1 1 1 -16 15  30 o 15.853  2.8787  37.597    12.540    27.001    17.163    49.732    18.367    13.477  4.2529  18.229  3.8809  -4.751810      5.757428 
1 1 1 -16 15  31 o 14.810  2.8922  32.587    12.758    16.413    17.760    49.832    18.339    11.432  4.2878  18.188  3.8826  -6.756263      5.784435 
1 1 1 -16 15  32 o 26.144  2.5095  101.018   17.032    110.103   23.996    91.793    24.180    27.487  3.3271  24.800  3.7578  2.686447       5.019005 
1 1 1 -16 15  33 o 23.534  2.6278  83.841    15.977    77.058    22.445    90.809    22.749    22.440  3.8743  24.628  3.5511  -2.188587      5.255581 
1 1 1 -16 16  1  o 16.898  2.2896  40.213    9.9231    27.894    13.936    52.884    14.133    14.139  3.6536  19.657  2.7604  -5.518440      4.579138 
1 1 1 -16 16  2  o 88.355  2.2254  1048.74   52.660    1024.89   74.052    1073.15   74.899    87.337  3.1656  89.372  3.1288  -2.035728      4.450888 
1 1 1 -16 16  3  o 85.098  2.2091  973.095   50.351    974.861   70.958    971.305   71.458    85.177  3.1102  85.019  3.1379  0.1580276      4.418139 
1 1 1 -16 16  4  o 61.965  1.9759  515.704   32.792    519.999   46.270    511.370   46.481    62.225  2.7762  61.704  2.8124  0.5206833      3.951780 
1 1 1 -16 16  5  o 87.841  2.2915  1037.60   53.913    1035.41   76.258    1039.78   76.231    87.748  3.2446  87.934  3.2366  -0.1858368     4.582900 
1 1 1 -16 16  6  o 11.549  2.4844  17.906    8.4309    14.899    11.842    20.997    12.006    10.768  3.5443  12.330  3.4822  -1.561397      4.968701 
1 1 1 -16 16  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 16  8  o 66.408  2.0567  593.268   36.576    582.388   51.868    604.029   51.586    65.798  2.9430  67.017  2.8738  -1.218170      4.113443 
1 1 1 -16 16  9  o 78.314  2.1964  825.899   46.070    824.546   65.367    827.235   64.942    78.249  3.1188  78.380  3.0934  -0.1309967     4.392732 
1 1 1 -16 16  10 o 40.315  1.9042  220.289   20.355    198.244   28.854    242.128   28.718    38.273  2.8348  42.357  2.5431  -4.084560      3.808315 
1 1 1 -16 16  11 o 72.316  2.1205  704.990   41.070    697.664   58.215    712.249   57.950    71.938  3.0213  72.694  2.9762  -0.7551346     4.240986 
1 1 1 -16 16  12 o 68.250  2.0548  628.194   37.562    627.679   53.198    628.705   53.045    68.221  2.9113  68.279  2.9005  -0.5751038E-01 4.109531 
1 1 1 -16 16  13 o 65.926  2.0276  586.651   35.802    580.664   50.682    592.615   50.581    65.587  2.8850  66.265  2.8498  -0.6778488     4.055191 
1 1 1 -16 16  14 o 40.159  1.8790  218.562   20.097    221.614   28.497    215.543   28.346    40.441  2.6454  39.877  2.6693  0.5645294      3.758066 
1 1 1 -16 16  15 o 64.809  2.0575  568.416   35.698    591.697   50.649    545.435   50.321    66.139  2.8591  63.479  2.9596  2.660648       4.115035 
1 1 1 -16 16  16 f 47.118  1.9209  301.278   24.139    301.992   34.244    300.573   34.034    47.173  2.7218  47.064  2.7113  0.1089668      3.841773 
1 1 1 -16 16  17 o 89.524  2.3456  1090.98   56.242    1100.16   79.488    1081.78   79.587    89.908  3.3008  89.140  3.3334  0.7680969      4.691123 
1 1 1 -16 16  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 16  19 o 22.422  2.2475  70.533    12.908    57.643    18.357    83.141    18.155    20.253  3.5112  24.591  2.8066  -4.338419      4.495022 
1 1 1 -16 16  20 o 26.782  2.0915  98.995    14.715    92.071    20.854    105.860   20.766    25.806  3.0778  27.757  2.8328  -1.951195      4.183008 
1 1 1 -16 16  21 o 15.923  2.5439  36.445    10.775    24.620    15.094    48.732    15.386    13.230  3.9545  18.617  3.2010  -5.386697      5.087715 
1 1 1 -16 16  22 o 29.514  2.0732  120.403   16.147    113.423   22.811    127.413   22.860    28.620  3.0213  30.407  2.8397  -1.786390      4.146376 
1 1 1 -16 16  23 o 16.678  2.6815  40.169    11.704    37.696    16.171    42.889    16.960    16.130  3.8047  17.226  3.7796  -1.096214      5.362918 
1 1 1 -16 16  24 o 33.458  2.1498  156.116   18.996    166.657   26.633    145.200   27.102    34.677  2.8938  32.239  3.1800  2.438168       4.299616 
1 1 1 -16 16  25 o 20.234  2.5641  59.125    13.381    61.746    18.989    56.539    18.860    20.718  3.5495  19.749  3.7014  0.9694633      5.128271 
1 1 1 -16 16  26 o 35.182  2.1109  173.658   19.675    181.123   27.597    165.941   28.058    36.008  2.8856  34.357  3.0816  1.650337       4.221786 
1 1 1 -16 16  27 o 15.722  4.1368  37.193    17.656    37.193    17.656    0.0000    0.0000    15.722  4.1368  ?       ?       ?              ?        
1 1 1 -16 16  28 o 25.721  2.3677  95.595    15.806    105.237   22.125    85.544    22.589    27.197  3.0921  24.246  3.5866  2.950718       4.735498 
1 1 1 -16 16  29 o 27.021  2.4361  105.967   16.901    84.621    23.547    128.648   24.273    23.960  3.7956  30.082  3.0548  -6.121767      4.872222 
1 1 1 -16 16  30 o 32.187  2.3047  148.839   19.579    141.464   27.251    156.710   28.150    31.332  3.2965  33.042  3.2217  -1.709557      4.609378 
1 1 1 -16 16  31 o 46.197  2.2157  307.162   27.168    327.878   38.072    285.669   38.779    47.941  2.9796  44.452  3.2802  3.489052       4.431464 
1 1 1 -16 16  32 o 14.544  3.0306  32.716    13.343    18.893    18.479    47.773    19.286    11.713  4.3776  17.375  4.1923  -5.661574      6.061186 
1 1 1 -16 17  1  o 149.593 3.1210  3019.33   125.052   3018.51   176.285   3020.15   177.421   149.576 4.4001  149.610 4.4275  -0.3367615E-01 6.242071 
1 1 1 -16 17  2  o 82.689  2.1867  919.129   48.422    892.970   68.095    945.885   68.869    81.497  3.1195  83.882  3.0652  -2.385529      4.373446 
1 1 1 -16 17  3  o 165.668 3.4362  3714.50   152.328   3515.75   214.850   3915.39   216.005   161.170 4.9769  170.167 4.7391  -8.997208      6.872359 
1 1 1 -16 17  4  o 57.166  1.9484  439.160   29.833    432.142   42.011    446.298   42.370    56.705  2.7660  57.628  2.7450  -0.9228096     3.896897 
1 1 1 -16 17  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 17  6  o 57.768  2.4075  456.717   35.265    471.101   43.975    430.800   59.028    59.188  2.7739  56.348  3.9358  2.839577       4.815058 
1 1 1 -16 17  7  o 49.696  1.9381  333.234   25.695    329.937   36.427    336.501   36.251    49.447  2.7614  49.944  2.7201  -0.4964371     3.876122 
1 1 1 -16 17  8  o 32.067  1.9191  139.362   16.328    138.155   23.111    140.564   23.071    31.926  2.7289  32.209  2.6991  -0.2832546     3.838244 
1 1 1 -16 17  9  o 20.030  2.1863  55.548    11.262    64.210    16.044    47.133    15.812    21.652  2.8346  18.409  3.3295  3.243061       4.372677 
1 1 1 -16 17  10 o 58.215  1.9758  456.905   30.800    447.156   43.717    466.514   43.401    57.593  2.8340  58.837  2.7540  -1.244164      3.951684 
1 1 1 -16 17  11 o 58.644  1.9749  463.946   31.013    478.185   44.034    449.931   43.687    59.542  2.7610  57.747  2.8244  1.795395       3.949784 
1 1 1 -16 17  12 o 22.208  2.1171  67.946    12.223    61.416    17.203    74.604    17.371    21.081  3.1426  23.335  2.8376  -2.254076      4.234132 
1 1 1 -16 17  13 o 54.237  1.9697  398.645   28.515    395.747   40.534    401.484   40.123    54.036  2.8103  54.438  2.7607  -0.4025040     3.939455 
1 1 1 -16 17  14 o 39.445  1.9201  211.521   20.146    203.858   28.649    219.018   28.335    38.721  2.7808  40.169  2.6485  -1.448158      3.840224 
1 1 1 -16 17  15 o 43.387  1.9289  255.893   22.279    270.142   31.622    241.849   31.394    44.607  2.6587  42.167  2.7954  2.439793       3.857862 
1 1 1 -16 17  16 o 23.787  2.0916  78.001    13.028    75.770    18.575    80.162    18.278    23.431  3.0307  24.143  2.8834  -0.7123604     4.183251 
1 1 1 -16 17  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 17  18 o 43.089  1.9814  253.331   22.726    266.482   32.356    240.528   31.926    44.213  2.7458  41.965  2.8574  2.247704       3.962815 
1 1 1 -16 17  19 o 31.076  2.0130  132.579   16.568    134.411   23.399    130.737   23.461    31.299  2.8214  30.852  2.8720  0.4471951      4.026059 
1 1 1 -16 17  20 o 14.401  2.6571  29.733    10.441    34.901    14.790    24.599    14.742    15.606  3.6100  13.196  3.8997  2.410039       5.314135 
1 1 1 -16 17  21 o 19.459  2.4378  53.969    12.186    61.778    17.250    46.190    17.216    20.980  3.1685  17.938  3.7058  3.041939       4.875679 
1 1 1 -16 17  22 o 34.815  2.0347  167.551   18.797    171.729   26.541    163.347   26.627    35.269  2.8334  34.360  2.9209  0.9089966      4.069355 
1 1 1 -16 17  23 o 48.436  2.0500  324.569   26.445    306.011   37.138    343.658   37.667    46.991  2.9659  49.881  2.8309  -2.889664      4.100056 
1 1 1 -16 17  24 o 15.135  2.7501  33.677    11.304    27.684    15.825    39.921    16.152    13.765  4.0327  16.505  3.7403  -2.739847      5.500189 
1 1 1 -16 17  25 o 52.085  2.1548  380.133   29.894    358.353   42.128    402.223   42.427    50.516  3.1289  53.655  2.9637  -3.138680      4.309674 
1 1 1 -16 17  26 f 22.270  2.8221  72.641    15.967    69.097    20.637    77.926    25.201    21.741  3.6748  22.799  4.2840  -1.057846      5.644227 
1 1 1 -16 17  27 o 30.580  2.2529  133.427   18.160    137.219   25.385    129.452   25.990    31.083  3.0900  30.077  3.2793  1.006462       4.505833 
1 1 1 -16 17  28 o 36.776  2.1895  192.031   21.355    183.896   29.826    200.588   30.590    35.951  3.1285  37.601  3.0639  -1.650055      4.378975 
1 1 1 -16 17  29 o 27.117  2.4410  107.120   17.276    98.553    24.270    115.919   24.597    25.916  3.5930  28.317  3.3052  -2.400988      4.882049 
1 1 1 -16 17  30 o 27.331  2.4588  110.053   17.509    119.945   24.740    100.126   24.785    28.711  3.2757  25.951  3.6678  2.759817       4.917658 
1 1 1 -16 17  31 o 7.5494  2.2327  -14.1887  9.7182    14.960    13.844    -42.5040  13.645    10.490  3.8116  4.6085  2.3261  5.881744       4.465300 
1 1 1 -16 18  1  o 132.239 2.8660  2360.65   101.492   2293.57   142.948   2428.84   144.124   130.334 4.0948  134.144 4.0112  -3.810196      5.732089 
1 1 1 -16 18  2  o 143.387 3.6790  2778.52   134.197   2834.46   229.783   2749.56   165.320   144.174 5.9503  142.600 4.3283  1.574142       7.358016 
1 1 1 -16 18  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 18  4  o 71.996  2.1009  697.956   40.474    659.566   56.983    737.044   57.499    69.989  3.0397  74.003  2.9008  -4.014404      4.201723 
1 1 1 -16 18  5  o 46.264  1.9254  288.991   23.749    281.980   33.516    296.060   33.657    45.695  2.7512  46.833  2.6944  -1.138630      3.850875 
1 1 1 -16 18  6  o 57.718  2.0000  448.629   30.915    457.753   43.803    439.574   43.639    58.305  2.8048  57.130  2.8518  1.174698       3.999998 
1 1 1 -16 18  7  o 14.733  2.4606  30.542    9.5818    34.253    13.544    26.824    13.557    15.634  3.3360  13.832  3.6180  1.802212       4.921288 
1 1 1 -16 18  8  o 42.693  1.9363  246.775   22.010    236.874   31.166    256.627   31.087    41.825  2.7981  43.561  2.6773  -1.735928      3.872613 
1 1 1 -16 18  9  o 50.839  1.9540  349.789   26.483    368.381   37.571    331.430   37.334    52.198  2.6965  49.480  2.8288  2.718292       3.908049 
1 1 1 -16 18  10 o 107.391 2.5699  1566.26   73.909    1601.91   104.775   1530.95   104.273   108.620 3.6013  106.161 3.6671  2.459572       5.139709 
1 1 1 -16 18  11 o 96.405  2.4153  1263.22   62.268    1182.44   88.085    1343.91   88.036    93.278  3.5256  99.532  3.3022  -6.253677      4.830607 
1 1 1 -16 18  12 o 24.755  2.1261  84.262    13.797    81.402    19.595    87.074    19.430    24.317  3.0774  25.192  2.9345  -0.8745823     4.252245 
1 1 1 -16 18  13 o 14.083  2.5538  28.100    9.6885    29.656    13.577    26.485    13.830    14.469  3.5337  13.697  3.6878  0.7715302      5.107545 
1 1 1 -16 18  14 f 25.039  2.1317  86.439    13.930    96.731    19.880    76.511    19.525    26.564  2.8379  23.514  3.1817  3.049864       4.263461 
1 1 1 -16 18  15 o 38.829  2.7743  205.519   28.664    0.0000    0.0000    205.519   28.664    ?       ?       38.829  2.7743  ?              ?        
1 1 1 -16 18  16 o 30.552  2.2884  126.990   18.104    120.122   23.223    137.630   28.905    29.570  2.9724  31.533  3.4803  -1.962431      4.576884 
1 1 1 -16 18  17 f 36.975  1.9775  186.987   19.438    185.919   27.587    188.041   27.394    36.865  2.8151  37.086  2.7779  -0.2211685     3.954964 
1 1 1 -16 18  18 o 41.343  1.9828  233.961   21.825    232.264   30.993    235.631   30.740    41.186  2.8266  41.499  2.7816  -0.3129463     3.965682 
1 1 1 -16 18  19 o 26.693  2.1694  98.867    15.227    97.878    21.461    99.869    21.610    26.555  3.0741  26.831  3.0618  -0.2758636     4.338760 
1 1 1 -16 18  20 o 15.091  2.7306  33.034    11.099    35.269    15.474    30.667    15.928    15.618  3.7471  14.563  3.9730  1.054980       5.461254 
1 1 1 -16 18  21 o 55.378  2.0905  423.523   30.894    430.539   43.771    416.558   43.610    55.848  2.9364  54.909  2.9764  0.9388580      4.181067 
1 1 1 -16 18  22 o 9.8061  2.6443  10.057    9.6468    9.4907    13.676    10.617    13.609    9.7036  3.7338  9.9086  3.7455  -0.2049265     5.288627 
1 1 1 -16 18  23 o 10.314  2.5467  9.7832    9.9035    24.969    14.278    -4.2975   13.748    13.094  3.8289  7.5331  3.3590  5.561428       5.093441 
1 1 1 -16 18  24 o 39.501  2.9963  219.015   31.466    0.0000    0.0000    219.015   31.466    ?       ?       39.501  2.9963  ?              ?        
1 1 1 -16 18  25 o 23.913  2.4316  82.675    15.107    86.418    21.289    78.877    21.442    24.521  3.3272  23.305  3.5470  1.216351       4.863267 
1 1 1 -16 18  26 o 37.405  2.1735  198.504   21.543    186.500   30.535    210.400   30.398    36.199  3.1816  38.611  2.9619  -2.412090      4.346924 
1 1 1 -16 18  27 o 9.5186  2.7356  6.6379    11.106    11.458    15.325    1.3066    16.118    10.224  3.9472  8.8135  3.7885  1.410285       5.471144 
1 1 1 -16 18  28 o 15.003  2.8672  33.898    12.789    16.372    17.953    51.954    18.222    11.416  4.3051  18.590  3.7881  -7.174749      5.734455 
1 1 1 -16 18  29 o 12.336  2.9980  22.081    12.431    13.214    18.487    29.398    16.795    10.883  4.2961  13.790  4.1826  -2.907082      5.995903 
1 1 1 -16 18  30 o 29.193  2.4625  127.521   18.756    139.785   26.398    115.020   26.653    30.817  3.2470  27.569  3.7030  3.248356       4.924985 
1 1 1 -16 19  1  o 48.941  3.9785  326.006   51.701    326.006   51.701    0.0000    0.0000    48.941  3.9785  ?       ?       ?              ?        
1 1 1 -16 19  2  o 13.727  2.5608  26.345    9.6078    30.283    13.605    22.427    13.570    14.687  3.5069  12.768  3.7326  1.919025       5.121562 
1 1 1 -16 19  3  f 60.505  1.9877  492.941   32.209    482.050   45.284    504.093   45.820    59.827  2.8259  61.183  2.7960  -1.356201      3.975347 
1 1 1 -16 19  4  o 77.229  2.1771  804.522   45.017    775.599   63.376    833.977   63.956    75.821  3.1207  78.638  3.0364  -2.817055      4.354138 
1 1 1 -16 19  5  o 49.515  1.9369  331.373   25.585    324.571   36.078    338.255   36.289    48.999  2.7602  50.031  2.7182  -1.032322      3.873874 
1 1 1 -16 19  6  o 29.915  1.9605  121.723   15.519    126.811   21.999    116.683   21.897    30.551  2.7167  29.278  2.8274  1.273134       3.921047 
1 1 1 -16 19  7  o 50.207  1.9623  341.766   26.206    311.384   36.991    372.377   37.130    47.933  2.8948  52.481  2.6500  -4.547691      3.924562 
1 1 1 -16 19  8  o 43.059  1.9373  251.464   22.212    241.351   31.431    261.555   31.395    42.179  2.7979  43.939  2.6804  -1.759628      3.874665 
1 1 1 -16 19  9  o 157.994 3.3702  3435.40   142.617   3461.74   201.976   3409.20   201.408   158.608 4.7543  157.379 4.7779  1.229294       6.740326 
1 1 1 -16 19  10 o 85.417  2.3235  991.348   53.149    973.295   75.313    1009.26   75.015    84.629  3.3225  86.205  3.2488  -1.576820      4.646933 
1 1 1 -16 19  11 o 38.695  1.9505  203.747   20.081    201.064   28.422    206.420   28.377    38.435  2.7796  38.956  2.7370  -0.5204506     3.900906 
1 1 1 -16 19  12 o 15.606  2.5264  34.733    10.433    26.311    14.746    43.173    14.762    13.671  3.8586  17.540  3.2622  -3.869287      5.052815 
1 1 1 -16 19  13 o 29.594  2.0489  120.062   15.966    133.281   22.854    107.459   22.315    31.231  2.7604  27.957  3.0285  3.274242       4.097771 
1 1 1 -16 19  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 19  15 o 35.385  2.0311  171.375   19.075    178.596   27.293    164.480   26.670    36.126  2.8436  34.645  2.9008  1.480980       4.062116 
1 1 1 -16 19  16 o 63.714  2.1358  554.380   36.425    580.891   51.821    528.490   51.211    65.241  2.9655  62.186  3.0746  3.055695       4.271643 
1 1 1 -16 19  17 o 23.233  2.3150  75.955    13.847    64.172    19.603    87.690    19.563    21.305  3.5608  25.162  2.9592  -3.857136      4.629958 
1 1 1 -16 19  18 o 28.265  2.1564  111.061   15.941    126.711   22.782    96.048    22.313    30.305  2.8398  26.225  3.2458  4.079277       4.312757 
1 1 1 -16 19  19 f 58.014  2.1116  464.210   32.700    465.404   46.393    463.030   46.098    58.085  2.9921  57.943  2.9803  0.1419754      4.223157 
1 1 1 -16 19  20 o 45.764  2.0686  289.924   25.219    283.643   35.613    296.242   35.716    45.250  2.9546  46.278  2.8960  -1.027645      4.137169 
1 1 1 -16 19  21 o 35.593  2.1449  177.162   20.182    193.822   28.681    160.820   28.405    37.330  2.8910  33.856  3.1692  3.473248       4.289707 
1 1 1 -16 19  22 o 29.784  2.2328  125.623   17.392    143.020   24.753    108.663   24.440    31.953  2.9247  27.615  3.3745  4.338066       4.465559 
1 1 1 -16 19  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 19  24 o 27.568  2.3118  108.654   16.705    100.505   23.174    117.469   24.102    26.440  3.3472  28.696  3.1897  -2.255955      4.623645 
1 1 1 -16 19  25 o 9.9935  2.5130  6.7494    10.270    25.649    14.562    -11.9533  14.486    13.129  3.8748  6.8581  3.2010  6.270738       5.025985 
1 1 1 -16 19  26 o 29.947  2.3431  129.336   18.447    136.164   26.000    122.414   26.176    30.823  3.1956  29.071  3.4276  1.752445       4.686213 
1 1 1 -16 19  27 o 14.753  2.9596  32.961    13.292    15.799    18.855    49.912    18.739    11.412  4.3858  18.094  3.9752  -6.681590      5.919286 
1 1 1 -16 19  28 o 25.402  2.6244  96.744    17.201    83.950    24.025    110.200   24.639    23.470  3.9628  27.333  3.4417  -3.862999      5.248729 
1 1 1 -16 20  1  o 68.423  2.0218  631.115   37.051    626.166   52.145    636.162   52.656    68.152  2.8565  68.693  2.8618  -0.5410233     4.043507 
1 1 1 -16 20  2  o 69.172  2.0560  645.466   38.091    645.211   53.595    645.726   54.149    69.160  2.8932  69.183  2.9221  -0.2262115E-01 4.112097 
1 1 1 -16 20  3  o 77.500  2.1685  811.296   45.000    783.586   63.269    839.665   64.016    76.153  3.1018  78.847  3.0312  -2.693565      4.336974 
1 1 1 -16 20  4  o 39.728  1.9270  213.922   20.381    212.773   28.718    215.088   28.929    39.621  2.7226  39.836  2.7277  -0.2151031     3.853922 
1 1 1 -16 20  5  o 25.789  2.0129  91.070    13.640    96.501    19.165    85.495    19.418    26.600  2.7286  24.978  2.9600  1.621962       4.025753 
1 1 1 -16 20  6  o 34.504  1.9540  161.952   17.888    153.345   25.232    170.650   25.365    33.563  2.8332  35.445  2.6918  -1.882271      3.908000 
1 1 1 -16 20  7  o 57.537  2.0209  448.587   31.086    459.296   44.041    437.955   43.883    58.265  2.8220  56.810  2.8935  1.455578       4.041807 
1 1 1 -16 20  8  o 47.029  1.9862  300.582   24.884    315.329   35.275    285.976   35.107    48.196  2.7439  45.861  2.8725  2.335457       3.972413 
1 1 1 -16 20  9  o 62.580  2.0896  531.336   35.026    532.027   49.618    530.651   49.450    62.620  2.9583  62.540  2.9520  0.7929993E-01  4.179227 
1 1 1 -16 20  10 o 46.936  1.9926  299.965   24.916    287.559   35.271    312.322   35.201    45.947  2.8806  47.925  2.7538  -1.978561      3.985103 
1 1 1 -16 20  11 o 55.040  2.0527  412.769   30.141    401.598   42.787    423.773   42.467    54.282  2.9539  55.798  2.8510  -1.515495      4.105329 
1 1 1 -16 20  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 20  13 o 42.802  2.0536  250.525   23.401    246.419   33.163    254.597   33.024    42.442  2.9353  43.162  2.8729  -0.7203827     4.107267 
1 1 1 -16 20  14 o 78.908  2.2803  852.416   48.193    861.711   68.347    843.224   67.965    79.340  3.2162  78.475  3.2334  0.8648605      4.560581 
1 1 1 -16 20  15 o 28.353  2.1673  111.177   16.191    115.300   23.175    107.247   22.629    28.878  3.0418  27.827  3.0881  1.050922       4.334617 
1 1 1 -16 20  16 o 101.364 2.5763  1424.26   69.945    1415.09   99.013    1433.41   98.823    101.024 3.6591  101.705 3.6277  -0.6815033     5.152589 
1 1 1 -16 20  17 o 38.181  2.1068  201.601   21.325    217.685   30.323    185.860   29.997    39.740  2.8680  36.621  3.0869  3.118732       4.213616 
1 1 1 -16 20  18 o 26.765  2.2813  100.598   15.902    114.843   22.808    87.124    22.182    28.711  3.0106  24.819  3.4282  3.891455       4.562522 
1 1 1 -16 20  19 o 17.291  2.8015  43.913    12.688    43.799    18.340    44.017    17.573    17.245  4.0411  17.336  3.8811  -0.9063148E-01 5.602982 
1 1 1 -16 20  20 o 52.031  2.1444  378.031   29.727    360.605   42.063    395.421   42.018    50.776  3.1077  53.286  2.9556  -2.509228      4.288754 
1 1 1 -16 20  21 o 20.540  2.5934  61.566    13.739    62.004    19.732    61.153    19.141    20.592  3.7142  20.488  3.6205  0.1040115      5.186821 
1 1 1 -16 20  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 20  23 o 23.109  2.5735  78.349    15.361    73.294    21.963    83.189    21.491    22.268  3.8198  23.950  3.4497  -1.681284      5.146945 
1 1 1 -16 20  24 o 14.809  3.0070  33.571    12.717    27.392    18.461    39.150    17.543    13.572  4.4234  16.046  4.0744  -2.473692      6.013926 
1 1 1 -16 20  25 o 7.9482  2.4366  -3.3319   10.264    -15.6047  15.076    7.2711    14.013    6.6842  3.1647  9.2122  3.7057  -2.528040      4.873166 
1 1 1 -16 20  26 o 14.794  3.0250  33.766    13.398    19.845    19.112    47.220    18.789    12.086  4.4647  17.501  4.0829  -5.414703      6.050094 
1 1 1 -16 20  27 o 10.873  2.7901  11.649    11.765    -3.7211   16.103    29.248    17.231    8.0658  3.6131  13.681  4.2526  -5.615326      5.580204 
1 1 1 -16 21  1  o 85.352  2.2357  985.952   51.100    958.224   71.826    1014.37   72.714    84.130  3.1874  86.574  3.1357  -2.444695      4.471311 
1 1 1 -16 21  2  f 68.462  2.0700  633.869   37.955    636.203   53.337    631.475   54.023    68.595  2.9030  68.329  2.9518  0.2663345      4.140096 
1 1 1 -16 21  3  o 82.908  2.2378  931.886   49.685    943.674   69.967    919.893   70.569    83.447  3.1303  82.368  3.1986  1.079536       4.475515 
1 1 1 -16 21  4  o 16.652  2.4651  39.279    10.653    32.795    15.103    45.696    15.027    15.215  3.7340  18.090  3.2192  -2.875303      4.930112 
1 1 1 -16 21  5  o 71.876  2.1459  700.706   41.312    696.071   58.255    705.394   58.594    71.637  3.0361  72.116  3.0334  -0.4789200     4.291773 
1 1 1 -16 21  6  o 40.959  1.9829  228.735   21.515    202.104   30.215    256.125   30.642    38.490  2.9533  43.429  2.6469  -4.938396      3.965831 
1 1 1 -16 21  7  o 51.148  2.0235  355.947   27.610    354.618   38.997    357.283   39.096    51.051  2.8635  51.244  2.8598  -0.1930733     4.046955 
1 1 1 -16 21  8  o 27.985  2.0686  107.499   15.274    105.978   21.651    109.006   21.551    27.779  2.9553  28.191  2.8952  -0.4122314     4.137107 
1 1 1 -16 21  9  o 69.523  2.1757  658.125   40.511    647.803   57.294    668.446   57.288    68.968  3.1015  70.077  3.0521  -1.108643      4.351398 
1 1 1 -16 21  10 o 39.510  2.8698  213.337   30.163    0.0000    0.0000    213.337   30.163    ?       ?       39.510  2.8698  ?              ?        
1 1 1 -16 21  11 o 37.793  4.8950  203.234   48.386    203.234   48.386    0.0000    0.0000    37.793  4.8950  ?       ?       ?              ?        
1 1 1 -16 21  12 o 23.005  2.3325  74.151    13.902    68.576    19.951    79.412    19.383    22.092  3.4873  23.917  3.0985  -1.824854      4.664933 
1 1 1 -16 21  13 o 40.229  2.1064  223.118   22.336    257.785   31.855    189.586   31.329    43.402  2.7544  37.055  3.1876  6.347599       4.212731 
1 1 1 -16 21  14 o 21.630  2.4587  66.425    13.522    83.944    19.513    50.242    18.754    24.571  3.0290  18.689  3.8737  5.881964       4.917386 
1 1 1 -16 21  15 o 51.936  2.0932  371.538   28.996    373.538   41.246    369.584   40.772    52.070  2.9697  51.802  2.9507  0.2679558      4.186360 
1 1 1 -16 21  16 o 19.378  2.5927  54.020    12.962    52.822    18.438    55.191    18.227    19.140  3.7306  19.617  3.6015  -0.4779491     5.185399 
1 1 1 -16 21  17 o 12.991  2.8723  23.755    11.258    29.408    16.041    18.269    15.804    14.198  4.0305  11.784  4.0933  2.413818       5.744566 
1 1 1 -16 21  18 o 22.137  2.5607  70.696    14.571    81.473    20.884    60.474    20.339    23.923  3.3511  20.350  3.8728  3.573095       5.121362 
1 1 1 -16 21  19 o 63.726  2.2323  568.756   38.102    567.251   54.073    570.240   53.697    63.628  3.1728  63.824  3.1411  -0.1954117     4.464625 
1 1 1 -16 21  20 o 26.546  2.4460  101.045   16.922    112.089   24.695    91.267    23.235    27.976  3.3630  25.117  3.5529  2.859129       4.892090 
1 1 1 -16 21  21 o 12.678  4.2762  22.990    17.218    22.990    17.218    0.0000    0.0000    12.678  4.2762  ?       ?       ?              ?        
1 1 1 -16 21  22 o 22.948  2.6343  77.566    15.629    81.121    22.309    74.139    21.903    23.508  3.6623  22.388  3.7876  1.120111       5.268637 
1 1 1 -16 21  23 o 22.116  2.8151  74.781    15.719    45.872    21.902    105.494   22.575    17.118  4.6543  27.114  3.1682  -9.995935      5.630266 
1 1 1 -16 21  24 o 26.414  2.5818  102.962   17.742    96.667    25.079    109.269   25.104    25.507  3.7856  27.322  3.5117  -1.814629      5.163632 
1 1 1 -16 21  25 f 13.369  3.0417  26.544    12.950    37.748    18.436    15.634    18.194    15.504  4.2929  11.234  4.3104  4.269333       6.083482 
1 1 1 -16 21  26 o 23.007  2.8263  81.794    16.773    85.707    23.730    77.887    23.713    23.654  3.8800  22.361  4.1106  1.292671       5.652572 
1 1 1 -16 22  1  o 15.487  2.4403  34.473    10.138    48.952    14.320    19.924    14.355    18.789  2.9420  12.185  3.8942  6.604198       4.880579 
1 1 1 -16 22  2  o 54.249  1.9680  399.226   28.496    372.067   40.022    427.149   40.581    52.320  2.8668  56.178  2.6969  -3.858173      3.936004 
1 1 1 -16 22  3  o 75.691  2.1808  778.385   44.205    757.835   62.173    799.393   62.862    74.672  3.1085  76.710  3.0595  -2.037697      4.361586 
1 1 1 -16 22  4  o 42.497  1.9649  245.946   22.234    237.824   31.422    254.091   31.466    41.780  2.8244  43.215  2.7325  -1.434460      3.929865 
1 1 1 -16 22  5  o 106.834 2.6218  1564.16   75.022    1567.81   105.897   1560.48   106.300   106.966 3.6961  106.701 3.7194  0.2656403      5.243618 
1 1 1 -16 22  6  o 58.193  2.0646  460.920   32.122    451.848   45.273    470.116   45.583    57.572  2.9457  58.813  2.8936  -1.240749      4.129197 
1 1 1 -16 22  7  o 27.366  2.1003  103.057   15.146    102.544   21.256    103.587   21.587    27.299  2.9541  27.432  2.9862  -0.1322269     4.200526 
1 1 1 -16 22  8  o 32.847  2.4620  151.467   20.348    141.936   33.458    157.061   25.632    31.831  4.0135  33.863  2.8526  -2.031927      4.923986 
1 1 1 -16 22  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 22  10 o 17.642  2.5659  46.205    11.961    69.042    16.791    22.683    17.041    22.327  2.8746  12.957  4.2512  9.369830       5.131828 
1 1 1 -16 22  11 o 26.229  2.2270  95.813    15.228    84.220    21.417    107.667   21.657    24.540  3.3456  27.918  2.9403  -3.378803      4.454075 
1 1 1 -16 22  12 o 19.244  2.5813  52.967    12.787    44.183    17.865    62.193    18.309    17.491  3.9115  20.997  3.3694  -3.506113      5.162618 
1 1 1 -16 22  13 o 29.809  2.2053  123.589   17.346    124.656   24.671    122.546   24.394    29.936  3.1227  29.682  3.1148  0.2540321      4.410577 
1 1 1 -16 22  14 o 45.643  2.1109  288.303   25.647    277.456   36.345    299.061   36.195    44.752  3.0503  46.533  2.9188  -1.781162      4.221783 
1 1 1 -16 22  15 o 21.511  2.5955  66.501    14.415    64.418    20.271    68.632    20.503    21.146  3.7144  21.876  3.6262  -0.7301579     5.190973 
1 1 1 -16 22  16 o 10.215  2.3351  2.7319    10.310    -26.3638  14.654    31.258    14.509    5.8232  2.8451  14.607  3.7034  -8.783434      4.670147 
1 1 1 -16 22  17 o 30.197  2.2655  128.937   18.039    132.513   25.612    125.416   25.411    30.634  3.1672  29.760  3.2403  0.8744106      4.531054 
1 1 1 -16 22  18 o 55.117  2.2272  428.036   32.743    429.135   46.516    426.956   46.099    55.178  3.1605  55.056  3.1390  0.1222534      4.454461 
1 1 1 -16 22  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 22  20 f 14.030  2.8246  28.077    12.635    8.0181    17.895    48.020    17.843    10.146  4.1484  17.914  3.8345  -7.767643      5.649143 
1 1 1 -16 22  21 o 29.143  2.4616  123.395   18.714    137.958   26.658    109.245   26.277    30.993  3.2601  27.293  3.6890  3.700384       4.923108 
1 1 1 -16 22  22 o 24.982  2.7246  93.884    17.208    70.835    24.267    117.196   24.405    21.461  4.3702  28.503  3.2551  -7.042049      5.449226 
1 1 1 -16 22  23 o 23.154  2.8446  82.027    16.755    102.299   23.847    62.263    23.546    26.410  3.4538  19.898  4.5208  6.511997       5.689134 
1 1 1 -16 22  24 o 9.3285  2.7759  4.9187    11.847    7.7811    16.688    2.0104    16.822    9.7165  3.9933  8.9404  3.8568  0.7761431      5.551712 
1 1 1 -16 22  25 f 13.782  3.0165  28.958    13.608    11.119    19.288    46.637    19.202    10.520  4.3048  17.043  4.2269  -6.523131      6.033065 
1 1 1 -16 23  1  o 43.090  1.9387  252.878   22.257    254.161   31.305    251.566   31.649    43.206  2.7189  42.973  2.7643  0.2338867      3.877376 
1 1 1 -16 23  2  o 11.202  2.6015  16.492    9.0328    14.800    12.503    18.338    13.064    10.750  3.6439  11.653  3.7140  -0.9028282     5.203056 
1 1 1 -16 23  3  f 39.503  1.9761  213.130   20.755    203.402   29.363    222.845   29.342    38.579  2.8620  40.427  2.7256  -1.847748      3.952230 
1 1 1 -16 23  4  o 49.231  1.9917  330.593   26.146    321.525   36.968    339.668   36.984    48.541  2.8560  49.921  2.7769  -1.380135      3.983420 
1 1 1 -16 23  5  o 21.873  2.4886  69.983    13.427    42.669    19.126    96.528    18.855    17.220  4.1871  26.526  2.6909  -9.306229      4.977287 
1 1 1 -16 23  6  o 25.370  5.0180  93.459    32.891    0.0000    0.0000    93.459    32.891    ?       ?       25.370  5.0180  ?              ?        
1 1 1 -16 23  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 23  8  o 17.509  2.6164  43.933    11.884    46.449    16.631    41.308    16.989    18.063  3.5641  16.954  3.8312  1.108389       5.232720 
1 1 1 -16 23  9  o 16.954  2.6730  41.648    12.074    57.530    17.269    26.460    16.888    20.208  3.3049  13.701  4.2020  6.506308       5.345931 
1 1 1 -16 23  10 o 53.352  2.1190  391.754   30.158    395.432   42.731    388.105   42.568    53.606  2.9879  53.098  3.0054  0.5084724      4.237958 
1 1 1 -16 23  11 o 31.003  2.1973  134.505   17.719    109.758   24.920    159.808   25.198    27.963  3.3969  34.042  2.7880  -6.078747      4.394554 
1 1 1 -16 23  12 o 35.188  2.1836  172.264   20.366    169.100   28.906    175.382   28.699    34.848  3.1303  35.529  3.0452  -0.6816788     4.367108 
1 1 1 -16 23  13 o 42.624  2.1254  252.513   24.097    244.529   34.143    260.437   34.014    41.921  3.0620  43.327  2.9485  -1.406643      4.250824 
1 1 1 -16 23  14 o 30.523  2.2885  131.342   18.412    127.913   26.219    134.677   25.862    30.093  3.3073  30.953  3.1639  -0.8595924     4.576958 
1 1 1 -16 23  15 o 13.261  2.9193  25.149    11.811    17.132    16.732    33.109    16.673    11.596  4.1938  14.925  4.0621  -3.329643      5.838536 
1 1 1 -16 23  16 o 24.945  2.5433  90.273    16.346    104.253   23.341    76.819    22.898    27.021  3.2932  22.869  3.8767  4.152094       5.086632 
1 1 1 -16 23  17 o 24.986  2.6329  91.223    16.864    109.888   24.428    74.227    23.309    27.652  3.3678  22.319  4.0481  5.332193       5.265840 
1 1 1 -16 23  18 o 38.833  3.2519  215.315   33.513    215.315   33.513    0.0000    0.0000    38.833  3.2519  ?       ?       ?              ?        
1 1 1 -16 23  19 o 18.263  2.9674  51.004    14.294    60.542    20.446    41.886    19.991    20.080  3.9424  16.446  4.4361  3.633081       5.934783 
1 1 1 -16 23  20 o 10.434  2.8979  11.466    11.831    11.651    17.076    11.294    16.409    10.520  4.1365  10.349  4.0595  0.1704702      5.795711 
1 1 1 -16 23  21 o 10.333  2.8912  10.045    12.156    3.0344    17.119    17.174    17.263    9.2157  3.9313  11.450  4.2405  -2.234146      5.782494 
1 1 1 -16 23  22 o 16.297  3.0979  42.324    14.589    25.557    20.900    58.260    20.375    13.143  4.6950  19.451  4.0427  -6.307737      6.195749 
1 1 1 -16 23  23 o 19.396  3.0247  61.153    15.586    40.499    22.339    80.744    21.756    15.666  4.8375  23.125  3.6321  -7.459601      6.049320 
1 1 1 -16 24  1  o 17.837  2.5743  45.243    11.882    44.269    16.702    46.241    16.908    17.635  3.6560  18.039  3.6251  -0.4039688     5.148551 
1 1 1 -16 24  2  o 29.753  2.0648  121.778   16.243    121.364   23.038    122.188   22.904    29.699  2.9345  29.808  2.9056  -0.1091480     4.129625 
1 1 1 -16 24  3  o 10.190  2.5756  11.308    9.2188    4.8143    12.769    18.379    13.324    8.7216  3.5271  11.659  3.7543  -2.937056      5.151286 
1 1 1 -16 24  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 24  5  f 15.653  3.0469  36.093    12.984    39.341    16.094    30.038    21.975    16.558  3.7197  14.748  4.8269  1.809962       6.093893 
1 1 1 -16 24  6  o 12.071  2.8140  19.401    10.655    15.375    14.985    23.518    15.154    11.186  3.9777  12.956  3.9815  -1.769755      5.628039 
1 1 1 -16 24  7  o 15.807  2.7251  36.127    11.433    35.612    16.091    36.653    16.248    15.693  3.8557  15.921  3.8519  -0.2281961     5.450111 
1 1 1 -16 24  8  o 52.206  2.1052  375.567   29.316    374.657   41.411    376.481   41.508    52.142  2.9774  52.270  2.9771  -0.1272736     4.210474 
1 1 1 -16 24  9  o 27.105  2.2985  102.895   16.347    99.179    22.796    106.829   23.454    26.588  3.2699  27.622  3.2312  -1.033424      4.597008 
1 1 1 -16 24  10 o 18.639  2.7037  50.848    13.116    33.522    18.226    69.455    18.888    15.125  4.2970  22.154  3.2825  -7.028567      5.407349 
1 1 1 -16 24  11 o 14.870  2.9046  32.526    11.969    30.599    17.079    34.385    16.778    14.455  4.1765  15.285  4.0377  -0.8299837     5.809167 
1 1 1 -16 24  12 o 34.761  2.2726  171.145   20.623    142.058   29.197    200.103   29.133    31.614  3.5072  37.908  2.8910  -6.294140      4.545119 
1 1 1 -16 24  13 o 36.890  2.2037  191.462   21.552    182.516   30.369    200.541   30.592    35.978  3.1843  37.802  3.0472  -1.824364      4.407402 
1 1 1 -16 24  14 f 17.162  2.9470  44.492    13.487    37.772    19.121    51.146    19.026    15.788  4.3719  18.535  3.9529  -2.746943      5.894009 
1 1 1 -16 24  15 o 17.870  2.9920  48.570    14.108    45.906    20.190    51.111    19.721    17.330  4.3549  18.409  4.1041  -1.079628      5.984023 
1 1 1 -16 24  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 24  17 o 10.766  2.9180  13.184    11.888    16.856    16.603    9.3214    17.030    11.377  4.1679  10.154  4.0850  1.222623       5.835948 
1 1 1 -16 24  18 o 21.530  2.8732  70.262    15.924    60.897    22.474    79.705    22.566    19.884  4.3415  23.175  3.7645  -3.290880      5.746312 
1 1 1 -16 24  19 o 9.3853  2.7323  5.3463    11.351    11.863    15.896    -1.4335   16.213    10.331  4.0112  8.4399  3.7110  1.890739       5.464540 
1 1 1 -16 24  20 o 14.038  3.2220  30.552    13.870    31.982    19.696    29.145    19.535    14.311  4.5601  13.765  4.5533  0.5459871      6.444091 
1 1 1 -16 24  21 o 28.151  2.6091  118.992   19.172    113.202   27.125    124.772   27.101    27.367  3.8033  28.934  3.5728  -1.566849      5.218210 
1 1 1 -16 24  22 o 22.429  2.9852  79.783    17.271    75.894    24.214    83.812    24.642    21.795  4.3006  23.063  4.1413  -1.267820      5.970338 
1 1 1 -16 25  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 25  2  f 43.562  4.4850  269.443   51.583    269.443   51.583    0.0000    0.0000    43.562  4.4850  ?       ?       ?              ?        
1 1 1 -16 25  3  o 14.171  2.8540  28.754    11.423    24.730    16.109    32.823    16.201    13.271  4.1096  15.071  3.9613  -1.800014      5.707933 
1 1 1 -16 25  4  o 38.962  2.0774  209.676   21.449    227.619   30.320    191.701   30.347    40.693  2.7988  37.230  3.0706  3.463169       4.154773 
1 1 1 -16 25  5  o 55.821  2.1181  429.885   31.524    443.138   44.174    416.132   45.000    56.742  2.9164  54.900  3.0725  1.841915       4.236235 
1 1 1 -16 25  6  o 13.879  2.8642  27.366    11.470    34.476    16.637    20.925    15.834    15.376  4.0011  12.382  4.0995  2.994547       5.728439 
1 1 1 -16 25  7  o 33.154  2.1783  153.126   19.119    149.641   26.959    156.652   27.119    32.759  3.1096  33.548  3.0513  -0.7890472     4.356671 
1 1 1 -16 25  8  o 30.357  2.2228  129.352   17.738    141.153   25.077    117.535   25.093    31.827  2.9762  28.888  3.3024  2.938843       4.445626 
1 1 1 -16 25  9  o 47.098  2.1649  309.192   27.124    288.975   37.990    330.216   38.740    45.475  3.1382  48.720  2.9830  -3.245369      4.329715 
1 1 1 -16 25  10 o 31.650  2.2929  141.443   19.149    148.247   27.312    134.864   26.855    32.433  3.1851  30.867  3.2993  1.566860       4.585854 
1 1 1 -16 25  11 o 8.8410  2.5081  -2.0492   10.405    -18.3361  14.097    17.442    15.421    6.2091  2.9733  11.473  4.0399  -5.263872      5.016106 
1 1 1 -16 25  12 o 23.955  2.5325  83.649    15.610    95.433    22.090    71.895    22.062    25.827  3.2663  22.082  3.8711  3.744286       5.064974 
1 1 1 -16 25  13 o 15.468  3.0265  36.439    13.129    29.403    18.573    43.468    18.562    14.010  4.4244  16.927  4.1307  -2.916407      6.052913 
1 1 1 -16 25  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 25  15 o 34.717  2.4072  174.630   21.924    152.860   30.940    196.585   31.072    32.348  3.6338  37.086  3.1580  -4.738472      4.814318 
1 1 1 -16 25  16 o 10.206  2.8699  10.194    11.768    12.243    16.729    8.1860    16.558    10.549  4.1097  9.8632  4.0068  0.6858854      5.739717 
1 1 1 -16 25  17 o 16.801  3.2152  44.583    14.855    41.217    21.580    47.614    20.480    16.136  4.7040  17.465  4.3844  -1.329159      6.430435 
1 1 1 -16 25  18 o 18.371  3.1320  53.442    15.476    40.389    21.808    66.686    21.967    15.884  4.7547  20.858  4.0779  -4.974793      6.263905 
1 1 1 -16 25  19 o 6.2646  2.1048  -15.7244  9.7353    -9.2451   13.432    -22.8955  14.131    6.7323  3.1219  5.7969  2.8238  0.9354568      4.209557 
1 1 1 -16 25  20 o 25.765  2.7928  102.431   18.655    104.522   26.405    100.347   26.360    26.071  3.9012  25.459  3.9973  0.6120224      5.585524 
1 1 1 -16 26  1  o 13.160  2.5252  23.707    10.708    42.300    14.744    2.9556    15.577    17.222  3.3166  9.0966  3.8087  8.125792       5.050321 
1 1 1 -16 26  2  o 41.590  2.0559  239.156   22.727    249.913   31.931    228.110   32.356    42.583  2.8155  40.598  2.9966  1.984337       4.111791 
1 1 1 -16 26  3  f 40.210  2.0670  223.841   22.099    228.155   30.988    219.377   31.524    40.631  2.8657  39.788  2.9796  0.8427010      4.134046 
1 1 1 -16 26  4  o 39.649  2.1415  219.016   22.497    233.797   31.483    203.593   32.159    41.095  2.8784  38.202  3.1716  2.893192       4.282994 
1 1 1 -16 26  5  o 23.099  2.4527  76.436    14.562    64.751    20.546    88.229    20.642    21.166  3.7620  25.033  3.1482  -3.867653      4.905466 
1 1 1 -16 26  6  o 17.248  2.8129  43.772    12.741    39.724    17.684    48.143    18.374    16.386  4.0518  18.110  3.9029  -1.723452      5.625853 
1 1 1 -16 26  7  f 39.869  2.1913  222.959   23.169    207.250   32.671    238.852   32.862    38.386  3.2070  41.353  2.9869  -2.967339      4.382561 
1 1 1 -16 26  8  o 12.730  2.9423  22.711    11.593    18.568    15.768    27.586    17.104    11.749  4.0882  13.712  4.2327  -1.963038      5.884691 
1 1 1 -16 26  9  o 9.4822  2.6779  7.6473    10.293    5.7915    14.456    9.5560    14.660    9.1390  3.7317  9.8255  3.8418  -0.6864529     5.355845 
1 1 1 -16 26  10 o 13.217  2.7656  22.967    12.182    44.125    17.465    2.9224    16.999    17.169  3.8882  9.2655  3.9341  7.903134       5.531290 
1 1 1 -16 26  11 o 9.8383  2.7440  8.8458    10.857    14.180    15.305    3.4426    15.404    10.729  3.9890  8.9479  3.7691  1.780657       5.487993 
1 1 1 -16 26  12 o 15.851  4.5726  39.088    20.487    0.0000    0.0000    39.088    20.487    ?       ?       15.851  4.5726  ?              ?        
1 1 1 -16 26  13 o 12.851  3.2054  23.544    13.611    23.211    17.819    24.009    21.091    12.664  4.3494  13.038  4.7096  -0.3748589     6.410724 
1 1 1 -16 26  14 o 20.343  2.9375  63.602    15.469    51.829    21.824    75.490    21.931    18.186  4.5039  22.501  3.7723  -4.315107      5.875000 
1 1 1 -16 26  15 o 13.973  3.1384  29.831    13.278    25.612    18.598    34.216    18.962    13.120  4.4443  14.826  4.4325  -1.706566      6.276801 
1 1 1 -16 26  16 o 21.860  2.9393  73.487    16.581    73.634    23.524    73.342    23.376    21.876  4.1669  21.845  4.1468  0.3130913E-01  5.878643 
1 1 1 -16 26  17 o 26.614  2.7981  108.712   18.939    86.518    26.826    130.765   26.741    23.444  4.4344  29.785  3.4136  -6.340469      5.596148 
1 1 1 -16 26  18 o 11.141  3.0455  15.116    13.149    22.111    18.840    8.4730    18.360    12.250  4.4471  10.033  4.1621  2.217225       6.090944 
1 1 1 -16 27  1  o 32.216  2.1827  146.158   18.364    122.575   26.013    169.586   25.928    29.463  3.3562  34.969  2.7915  -5.505474      4.365379 
1 1 1 -16 27  2  o 32.636  2.1646  149.092   18.698    152.827   26.604    145.446   26.284    33.053  3.0390  32.219  3.0833  0.8341217      4.329263 
1 1 1 -16 27  3  f 22.814  2.5014  74.934    14.731    67.408    20.801    82.505    20.863    21.553  3.7388  24.074  3.3242  -2.520880      5.002862 
1 1 1 -16 27  4  o 42.424  2.1562  252.134   24.332    253.163   34.082    251.066   34.747    42.536  3.0109  42.312  3.0873  0.2235031      4.312409 
1 1 1 -16 27  5  o 21.874  2.6570  70.471    14.835    55.978    20.954    85.036    21.006    19.354  4.1654  24.393  3.2997  -5.039265      5.314009 
1 1 1 -16 27  6  o 32.929  2.2933  154.728   19.513    119.876   27.102    192.241   28.118    28.821  3.5886  37.037  2.8564  -8.216417      4.586611 
1 1 1 -16 27  7  o 12.981  2.9811  24.236    12.145    31.200    17.090    17.131    17.263    14.393  4.1835  11.569  4.2482  2.824217       5.962267 
1 1 1 -16 27  8  o 15.476  3.0659  36.701    13.431    28.809    19.083    44.447    18.905    13.877  4.4957  17.075  4.1698  -3.197786      6.131717 
1 1 1 -16 27  9  o 15.875  2.9819  38.699    13.318    51.054    18.868    26.428    18.803    18.386  3.9490  13.364  4.4689  5.021783       5.963745 
1 1 1 -16 27  10 o 16.208  5.9857  41.194    34.347    0.0000    0.0000    41.194    34.347    ?       ?       16.208  5.9857  ?              ?        
1 1 1 -16 27  11 o 25.470  3.7126  96.099    24.582    96.099    24.582    0.0000    0.0000    25.470  3.7126  ?       ?       ?              ?        
1 1 1 -16 27  12 o 11.645  3.0263  17.201    12.759    9.2190    17.953    25.347    18.137    10.243  4.1679  13.047  4.3889  -2.803472      6.052589 
1 1 1 -16 27  13 o 22.569  2.9010  77.715    16.887    75.180    23.837    80.271    23.928    22.146  4.1715  22.992  4.0325  -0.8459949     5.802003 
1 1 1 -16 27  14 o 9.4300  2.7488  1.5900    12.252    -13.3674  17.071    17.479    17.595    7.3872  3.4568  11.473  4.2747  -4.085464      5.497528 
1 1 1 -16 27  15 o 41.249  2.3898  249.814   26.097    270.135   37.055    229.814   36.761    43.070  3.2357  39.427  3.5179  3.643383       4.779683 
1 1 1 -16 27  16 o 15.644  3.2558  40.002    14.821    49.124    21.154    31.207    20.771    17.351  4.5101  13.937  4.6968  3.414708       6.511582 
1 1 1 -16 27  17 o 10.149  2.9576  9.6838    13.040    13.816    18.874    5.9095    18.038    10.768  4.3115  9.5304  4.0497  1.237755       5.915205 
1 1 1 -16 28  1  o 21.442  2.6947  67.582    14.838    78.538    21.190    57.041    20.785    23.328  3.4992  19.557  4.0990  3.770792       5.389456 
1 1 1 -16 28  2  o 22.411  2.5590  73.448    14.739    82.858    20.781    63.921    20.909    24.028  3.3174  20.793  3.8974  3.234751       5.118090 
1 1 1 -16 28  3  o 13.550  3.0114  27.148    12.160    26.763    16.571    27.599    17.900    13.444  4.1689  13.656  4.3468  -0.2119656     6.022790 
1 1 1 -16 28  4  o 13.818  2.9981  27.843    12.794    39.937    18.181    15.978    18.008    16.198  4.1667  11.437  4.3120  4.760808       5.996291 
1 1 1 -16 28  5  o 12.248  2.9711  20.751    12.100    13.196    17.207    28.142    17.019    10.820  4.1811  13.677  4.2223  -2.856387      5.942165 
1 1 1 -16 28  6  o 13.882  3.0419  29.060    12.515    33.232    18.179    25.301    17.256    14.705  4.3262  13.059  4.2775  1.646549       6.083823 
1 1 1 -16 28  7  o 20.946  2.8869  67.345    15.560    53.577    22.124    80.820    21.887    18.496  4.5071  23.396  3.6088  -4.899490      5.773844 
1 1 1 -16 28  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 28  9  o 23.884  2.8101  86.332    17.178    70.665    23.951    102.929   24.651    21.356  4.3352  26.412  3.5766  -5.055962      5.620136 
1 1 1 -16 28  10 o 29.445  2.5923  128.927   19.786    145.757   27.865    111.812   28.101    31.646  3.3378  27.244  3.9673  4.401787       5.184633 
1 1 1 -16 28  11 o 13.863  3.0603  27.616    13.784    10.897    19.029    46.077    19.995    10.623  4.3023  17.104  4.3535  -6.481483      6.120685 
1 1 1 -16 28  12 o 32.487  2.5295  156.650   21.581    166.384   30.312    146.645   30.731    33.661  3.4091  31.314  3.7378  2.346334       5.058977 
1 1 1 -16 28  13 o 8.9367  2.7133  0.8418    12.113    9.8573    16.825    -8.8608   17.454    10.021  4.0501  7.8526  3.6118  2.168249       5.426611 
1 1 1 -16 28  14 o 35.706  2.5006  191.092   23.600    190.106   33.411    192.073   33.340    35.597  3.5516  35.814  3.5210  -0.2172737     5.001152 
1 1 1 -16 28  15 o 9.8921  2.8930  8.0653    12.751    15.352    18.135    0.9413    17.932    10.901  4.2701  8.8828  3.9043  2.018505       5.785938 
1 1 1 -16 29  1  o 16.710  2.8966  42.968    13.540    61.652    19.207    24.507    19.092    20.405  3.6481  13.015  4.5003  7.390178       5.793169 
1 1 1 -16 29  2  o 33.335  2.2937  159.903   20.216    159.844   28.281    159.966   28.908    33.356  3.2049  33.315  3.2823  0.4123306E-01  4.587447 
1 1 1 -16 29  3  o 37.392  2.2233  200.633   22.040    192.314   31.233    208.884   31.105    36.554  3.2230  38.231  3.0633  -1.677517      4.446520 
1 1 1 -16 29  4  o 10.799  2.7839  11.976    11.406    -0.7966   15.624    26.551    16.690    8.3603  3.6602  13.238  4.1956  -4.877514      5.567786 
1 1 1 -16 29  5  o 11.479  2.8516  11.919    13.393    -14.4781  19.560    35.222    18.378    7.9422  3.7112  15.017  4.3305  -7.074306      5.703221 
1 1 1 -16 29  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 29  7  o 12.478  2.8405  20.746    12.694    39.273    17.334    -0.6849   18.642    15.910  4.0555  9.0456  3.9782  6.864000       5.680952 
1 1 1 -16 29  8  o 22.393  2.8688  77.224    16.490    87.931    23.175    66.244    23.468    24.248  3.6840  20.538  4.3986  3.710077       5.737605 
1 1 1 -16 29  9  o 10.448  2.9007  8.4242    13.217    23.477    17.911    -9.5770   19.586    12.568  4.3581  8.3294  3.8292  4.238212       5.801352 
1 1 1 -16 29  10 o 13.326  3.2174  25.961    14.889    40.649    20.724    10.294    21.403    15.833  4.6081  10.819  4.4914  5.014476       6.434876 
1 1 1 -16 29  11 o 33.728  2.5597  170.907   22.736    175.191   31.785    166.419   32.535    34.268  3.5126  33.188  3.7243  1.079823       5.119434 
1 1 1 -16 29  12 f 7.9058  2.5309  -5.2941   11.635    -0.4078   15.609    -11.4051  17.455    8.2552  3.6351  7.5565  3.5226  0.6986489      5.061889 
1 1 1 -16 29  13 o 7.9388  2.5073  -6.0387   11.377    -17.7215  15.722    6.8041    16.484    6.5459  3.1360  9.3317  3.9131  -2.785819      5.014693 
1 1 1 -16 30  1  o 22.832  2.7241  79.535    15.798    60.708    22.240    98.711    22.444    19.686  4.3350  25.977  3.3002  -6.290333      5.448243 
1 1 1 -16 30  2  o 11.014  3.0155  14.615    12.634    14.889    16.982    14.275    18.908    10.937  4.1719  11.090  4.3553  -0.1535130     6.031074 
1 1 1 -16 30  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -16 30  4  o 25.862  3.0689  97.893    19.913    78.118    24.791    133.845   33.428    22.379  4.2921  29.346  4.3874  -6.966810      6.137712 
1 1 1 -16 30  5  o 25.021  2.7931  94.905    18.057    87.708    24.612    103.296   26.574    23.965  3.9735  26.077  3.9264  -2.112421      5.586141 
1 1 1 -16 30  6  o 11.730  2.8993  15.122    12.757    -2.5842   17.430    35.548    18.721    8.5140  3.7903  14.946  4.3884  -6.432048      5.798679 
1 1 1 -16 30  7  o 9.4275  2.7989  3.6058    12.327    -5.3288   16.982    13.556    17.922    8.0891  3.6593  10.766  4.2363  -2.676793      5.597895 
1 1 1 -16 30  8  o 19.534  3.1688  61.297    16.220    54.683    22.084    69.044    23.901    18.332  4.5251  20.737  4.4373  -2.405567      6.337640 
1 1 1 -16 30  9  o 13.823  3.0848  29.208    14.105    47.247    20.000    11.361    19.894    17.031  4.3644  10.614  4.3608  6.417534       6.169631 
1 1 1 -16 30  10 o 13.578  3.3243  30.116    14.716    27.496    20.111    33.137    21.590    13.080  4.6127  14.077  4.7883  -0.9976234     6.648678 
1 1 1 -16 31  1  o 16.207  3.0350  46.242    16.247    69.127    20.229    4.6563    27.269    21.363  3.6674  11.051  4.8369  10.31248       6.069999 
1 1 1 -16 31  2  o 9.5296  2.8254  5.2284    12.458    11.817    16.937    -2.5391   18.389    10.345  4.1031  8.7140  3.8853  1.631149       5.650746 
1 1 1 -16 31  3  o 12.361  3.1602  21.481    13.787    12.994    19.102    30.711    19.920    10.826  4.3365  13.896  4.5980  -3.070470      6.320366 
1 1 1 -16 31  4  o 14.762  3.2805  35.390    14.440    33.114    19.761    37.999    21.153    14.318  4.5682  15.205  4.7093  -0.8868895     6.560908 
1 1 1 -16 31  5  o 21.273  3.0810  72.397    16.975    59.597    23.453    86.480    24.601    19.010  4.6454  23.535  4.0484  -4.525057      6.161980 
1 1 1 -16 31  6  f 10.616  2.9672  11.917    13.218    22.193    17.971    -0.1960   19.511    12.121  4.3511  9.1113  4.0354  3.010004       5.934412 
1 1 1 -16 31  7  o 10.409  3.0094  11.095    13.380    6.6593    18.412    16.058    19.477    9.6711  4.0997  11.146  4.4066  -1.475365      6.018786 
1 1 1 -16 31  8  o 11.691  3.0419  16.645    13.633    1.1414    18.343    35.776    20.376    8.9187  3.9333  14.463  4.6413  -5.543930      6.083776 
1 1 1 -16 32  1  o 7.4723  2.3021  -13.6779  11.019    11.090    13.957    -54.6690  17.955    9.6774  3.7583  5.2672  2.6597  4.410257       4.604245 
1 1 1 -16 32  2  o 14.126  3.1938  32.657    14.522    44.761    19.831    18.660    21.325    16.484  4.4066  11.768  4.6242  4.715905       6.387587 
1 1 1 -16 32  3  o 36.281  2.5584  200.529   24.335    173.895   33.848    229.028   35.013    33.500  3.8417  39.063  3.3797  -5.563225      5.116751 
1 1 1 -16 32  4  o 10.086  2.8014  7.5129    12.907    24.933    17.161    -15.1796  19.586    12.488  4.2688  7.6844  3.6289  4.803542       5.602829 
1 1 1 -16 32  5  o 5.8697  2.0508  -30.4509  11.304    -34.6158  14.793    -24.6078  17.522    5.2320  2.6096  6.5075  3.1642  -1.275462      4.101520 
1 1 1 -16 33  1  o 17.140  3.2287  51.879    16.176    71.347    22.430    30.782    23.350    20.862  4.1601  13.418  4.9387  7.443852       6.457345 
1 1 1 -16 33  2  o 19.237  3.2867  64.953    16.765    69.297    22.748    59.790    24.803    20.309  4.3149  18.165  4.9588  2.144781       6.573306 
1 1 1 -15 -30 12 o 14.861  3.1764  27.230    14.502    58.503    24.435    10.226    18.019    19.262  4.7629  10.459  4.2040  8.802982       6.352833 
1 1 1 -15 -30 13 o 17.308  3.4089  44.877    16.501    63.893    26.039    32.117    21.330    20.097  4.8850  14.518  4.7558  5.578360       6.817719 
1 1 1 -15 -30 14 o 20.895  3.3310  69.286    18.160    59.499    27.447    76.908    24.220    19.223  5.2035  22.567  4.1601  -3.344482      6.662024 
1 1 1 -15 -30 15 o 13.144  3.4947  22.090    16.457    28.858    26.033    17.585    21.240    14.215  5.2173  12.074  4.6510  2.140553       6.989439 
1 1 1 -15 -30 16 o 20.736  3.2193  70.619    17.999    37.819    26.739    97.796    24.340    15.622  5.3287  25.851  3.6139  -10.22963      6.438573 
1 1 1 -15 -30 17 o 18.061  3.6245  50.322    18.419    67.416    28.585    38.184    24.087    20.478  5.2014  15.644  5.0490  4.834420       7.248923 
1 1 1 -15 -30 18 o 29.735  2.7727  131.124   21.479    125.770   31.010    136.063   29.780    29.012  4.1050  30.458  3.7282  -1.445633      5.545368 
1 1 1 -15 -30 19 o 52.881  2.4443  403.111   34.425    412.735   48.909    393.662   48.464    53.539  3.4286  52.224  3.4847  1.315418       4.888593 
1 1 1 -15 -30 20 o 18.602  3.6306  56.886    19.216    41.877    28.630    69.190    25.922    16.212  5.5140  20.991  4.7245  -4.778690      7.261205 
1 1 1 -15 -30 21 o 30.915  2.9240  142.656   23.248    174.176   34.182    115.525   31.712    34.381  3.7739  27.448  4.4672  6.933653       5.847916 
1 1 1 -15 -30 22 o 15.456  3.7799  36.376    18.877    46.588    29.494    29.290    24.568    16.844  5.5959  14.069  5.0828  2.775477       7.559728 
1 1 1 -15 -30 23 o 20.276  5.0179  66.655    27.104    0.0000    0.0000    66.655    27.104    ?       ?       20.276  5.0179  ?              ?        
1 1 1 -15 -29 6  o 19.976  3.1162  59.791    16.127    73.649    24.961    49.860    21.129    21.966  4.3958  17.985  4.4180  3.981577       6.232354 
1 1 1 -15 -29 7  o 13.499  3.0341  26.262    14.459    -0.9652   23.453    42.954    18.363    10.162  4.4658  16.835  4.1085  -6.673575      6.068189 
1 1 1 -15 -29 8  o 44.075  2.3453  277.979   27.307    255.592   39.598    298.279   37.708    42.188  3.5369  45.961  3.0809  -3.773006      4.690539 
1 1 1 -15 -29 9  o 34.684  2.4639  171.964   22.520    188.959   32.815    156.836   30.961    36.359  3.4094  33.009  3.5581  3.350391       4.927895 
1 1 1 -15 -29 10 o 14.134  3.4611  27.714    15.714    35.038    25.077    22.979    20.163    15.308  5.1608  12.960  4.6134  2.347531       6.922218 
1 1 1 -15 -29 11 o 21.268  3.2714  70.268    18.008    59.776    27.378    78.267    23.906    19.524  5.1581  23.012  4.0251  -3.488216      6.542733 
1 1 1 -15 -29 12 o 25.796  2.8522  96.387    18.744    124.696   28.223    74.046    25.071    29.388  3.6650  22.204  4.3713  7.184803       5.704408 
1 1 1 -15 -29 13 o 28.854  2.7078  120.974   20.352    120.620   29.830    121.283   27.836    28.723  3.9847  28.985  3.6676  -0.2612400     5.415640 
1 1 1 -15 -29 14 o 21.889  3.1498  71.232    17.956    104.696   26.922    44.417    24.100    26.803  3.8614  16.976  4.9775  9.827587       6.299648 
1 1 1 -15 -29 15 o 39.197  2.4534  219.141   25.355    245.711   36.268    193.742   35.460    41.664  3.2763  36.730  3.6528  4.933800       4.906864 
1 1 1 -15 -29 16 o 24.852  2.9958  91.038    19.027    114.237   28.096    71.387    25.859    28.022  3.8447  21.683  4.5953  6.338985       5.991555 
1 1 1 -15 -29 17 o 8.3381  2.7070  -9.7645   13.041    -11.2121  22.489    -9.0311   16.007    9.0512  4.1397  7.6250  3.4893  1.426183       5.414038 
1 1 1 -15 -29 18 o 37.534  2.5838  203.091   25.505    223.023   35.941    182.871   36.200    39.561  3.4257  35.507  3.8690  4.053986       5.167691 
1 1 1 -15 -29 19 o 7.9147  2.5519  -12.2979  12.785    -38.3631  21.861    1.2519    15.762    7.0559  3.4532  8.7734  3.7582  -1.717450      5.103792 
1 1 1 -15 -29 20 o 60.508  2.3919  520.353   38.590    535.902   54.419    504.624   54.733    61.486  3.3166  59.529  3.4474  1.957176       4.783750 
1 1 1 -15 -29 21 o 31.924  2.8009  149.342   23.384    147.731   34.003    150.788   32.210    31.660  4.1065  32.188  3.8100  -0.5286465     5.601730 
1 1 1 -15 -29 22 o 23.640  3.3257  87.548    20.141    71.552    30.034    100.619   27.150    21.196  5.3032  26.084  4.0148  -4.888191      6.651479 
1 1 1 -15 -29 23 o 18.829  3.2807  51.823    18.758    96.178    27.947    15.460    25.305    25.301  4.2763  12.357  4.9765  12.94422       6.561441 
1 1 1 -15 -29 24 o 22.119  3.4701  75.990    20.012    89.006    29.758    65.243    27.040    23.937  4.8083  20.301  5.0047  3.636440       6.940239 
1 1 1 -15 -29 25 o 30.625  2.9616  140.693   23.532    137.942   34.735    143.026   31.992    30.157  4.4324  31.093  3.9291  -0.9366207     5.923212 
1 1 1 -15 -29 26 o 13.945  3.2298  24.813    17.312    -11.7547  26.478    52.119    22.880    9.7098  4.4595  18.180  4.6731  -8.470101      6.459506 
1 1 1 -15 -29 27 o 11.607  3.3665  12.629    16.727    9.5781    25.159    15.046    22.393    11.459  4.8213  11.754  4.6999  -0.2952805     6.732992 
1 1 1 -15 -29 28 o 19.869  5.0596  64.626    26.999    0.0000    0.0000    64.626    26.999    ?       ?       19.869  5.0596  ?              ?        
1 1 1 -15 -28 2  o 10.217  2.1564  12.437    9.0488    -24.2415  16.404    28.478    10.849    6.4365  3.1133  13.998  2.9846  -7.561487      4.312840 
1 1 1 -15 -28 3  o 13.819  3.2550  27.960    13.910    26.501    22.674    28.841    17.614    13.727  4.8917  13.911  4.2956  -0.1835623     6.510084 
1 1 1 -15 -28 4  o 16.802  3.2327  43.166    14.789    42.619    23.183    43.542    19.203    16.630  4.8836  16.974  4.2370  -0.3436737     6.465459 
1 1 1 -15 -28 5  o 24.239  2.7580  84.695    17.159    101.636   26.025    71.667    22.823    26.450  3.7811  22.028  4.0161  4.422203       5.515962 
1 1 1 -15 -28 6  o 27.118  2.7076  108.724   18.630    89.443    27.467    125.152   25.354    24.524  4.3402  29.711  3.2384  -5.186602      5.415222 
1 1 1 -15 -28 7  o 14.693  3.1842  32.764    14.020    22.470    22.720    39.094    17.816    13.202  4.8696  16.185  4.1039  -2.983227      6.368313 
1 1 1 -15 -28 8  o 9.7867  2.8266  6.0816    12.050    -6.0421   20.224    12.755    15.005    9.0497  4.0518  10.524  3.9424  -1.473979      5.653239 
1 1 1 -15 -28 9  o 47.110  2.2669  311.379   28.397    332.364   40.646    291.372   39.689    48.715  3.1317  45.505  3.2782  3.209641       4.533703 
1 1 1 -15 -28 10 o 17.182  3.3714  44.383    15.879    47.106    24.777    42.484    20.687    17.561  5.0174  16.803  4.5045  0.7582817      6.742719 
1 1 1 -15 -28 11 o 36.703  2.3817  189.824   23.111    205.370   33.578    175.830   31.858    38.165  3.3177  35.241  3.4181  2.924355       4.763480 
1 1 1 -15 -28 12 o 20.007  3.0388  58.069    16.135    89.607    24.442    33.710    21.480    24.904  3.7832  15.110  4.7565  9.794007       6.077539 
1 1 1 -15 -28 13 o 13.005  3.3302  21.140    14.818    27.963    23.002    16.300    19.373    14.171  4.9374  11.838  4.4703  2.332386       6.660421 
1 1 1 -15 -28 14 o 17.161  3.3388  45.064    15.994    37.060    23.948    51.508    21.488    15.781  5.0283  18.542  4.3938  -2.761621      6.677561 
1 1 1 -15 -28 15 o 25.746  2.8465  96.504    18.481    128.735   27.127    68.586    25.247    30.107  3.4248  21.385  4.5476  8.722549       5.693001 
1 1 1 -15 -28 16 o 12.183  2.9989  11.510    13.626    38.722    21.365    -7.1465   17.690    16.053  4.6808  8.3133  3.7501  7.739548       5.997725 
1 1 1 -15 -28 17 o 18.330  3.3703  50.764    16.623    54.781    24.998    47.580    22.258    18.932  4.8939  17.728  4.6351  1.203846       6.740525 
1 1 1 -15 -28 18 o 22.489  3.1401  75.744    18.183    72.030    26.753    78.933    24.788    21.825  4.7143  23.153  4.1494  -1.328737      6.280282 
1 1 1 -15 -28 19 o 37.481  2.4277  199.212   24.079    189.421   33.892    209.191   34.215    36.498  3.5102  38.464  3.3546  -1.965534      4.855393 
1 1 1 -15 -28 20 o 23.996  3.2187  90.528    19.589    55.180    28.608    121.734   26.880    18.804  5.3973  29.189  3.5084  -10.38415      6.437393 
1 1 1 -15 -28 21 o 39.595  2.4949  223.266   26.171    229.505   36.958    216.991   37.066    40.194  3.4668  38.997  3.5889  1.197453       4.989863 
1 1 1 -15 -28 22 o 43.243  2.4192  265.425   27.783    261.740   39.582    269.004   39.005    42.909  3.4738  43.578  3.3678  -0.6693420     4.838338 
1 1 1 -15 -28 23 o 26.083  3.0108  100.153   20.227    114.421   29.851    88.042    27.503    27.899  4.1185  24.267  4.3931  3.632275       6.021688 
1 1 1 -15 -28 24 o 35.867  2.6999  186.757   25.425    174.039   36.551    198.680   35.390    34.521  4.0288  37.212  3.5955  -2.690891      5.399837 
1 1 1 -15 -28 25 o 25.071  3.3275  98.798    21.169    71.102    31.067    122.801   28.922    21.108  5.4555  29.034  3.8112  -7.925930      6.654934 
1 1 1 -15 -28 26 o 24.683  3.1516  91.712    19.930    113.798   29.190    72.424    27.278    27.754  4.0455  21.611  4.8336  6.143625       6.303133 
1 1 1 -15 -28 27 o 30.501  2.8562  137.369   22.557    158.872   32.574    117.557   31.268    33.011  3.7506  27.991  4.3088  5.020605       5.712497 
1 1 1 -15 -28 28 o 25.727  3.3007  101.398   21.795    122.535   31.963    83.029    29.796    28.507  4.3216  22.946  4.9901  5.560553       6.601303 
1 1 1 -15 -28 29 o 27.768  2.9847  115.663   21.299    138.180   31.343    96.342    29.033    30.505  3.9273  25.031  4.4956  5.473829       5.969417 
1 1 1 -15 -28 30 o 26.769  3.1147  109.846   21.439    127.050   31.135    94.335    29.563    28.997  4.1250  24.541  4.6680  4.455782       6.229468 
1 1 1 -15 -28 31 o 20.163  3.7121  67.666    20.152    66.926    30.599    68.232    26.779    19.840  5.5437  20.486  4.9382  -0.6462631     7.424205 
1 1 1 -15 -27 1  o 25.940  2.5983  96.848    17.483    108.415   25.680    86.856    23.869    27.447  3.5783  24.434  3.7683  3.012846       5.196576 
1 1 1 -15 -27 2  o 23.454  2.9177  85.820    16.957    53.992    25.232    112.034   22.899    18.728  4.9538  28.181  3.0840  -9.452913      5.835352 
1 1 1 -15 -27 3  o 16.275  3.0513  40.208    13.525    34.750    20.948    44.109    17.710    15.272  4.6793  17.277  3.9173  -2.005033      6.102524 
1 1 1 -15 -27 4  o 38.665  2.2709  209.484   23.242    231.115   33.749    189.971   32.054    40.617  3.1262  36.714  3.2946  3.902988       4.541795 
1 1 1 -15 -27 5  o 7.5263  2.4086  -7.6461   9.3708    0.4206    17.514    -10.8815  11.092    9.1548  3.9424  5.8978  2.7683  3.256990       4.817220 
1 1 1 -15 -27 6  o 10.650  2.9755  9.3117    12.087    16.154    20.500    5.6651    14.965    11.998  4.5821  9.3010  3.7972  2.697000       5.950981 
1 1 1 -15 -27 7  o 30.067  2.7146  133.765   20.352    96.709    29.616    166.918   28.013    25.583  4.4857  34.550  3.0587  -8.967833      5.429257 
1 1 1 -15 -27 8  o 25.450  2.5734  91.628    16.935    104.693   25.678    81.571    22.529    27.064  3.6341  23.836  3.6444  3.227705       5.146738 
1 1 1 -15 -27 9  o 39.728  2.2370  220.883   23.590    219.957   33.947    221.747   32.806    39.613  3.2276  39.844  3.0983  -0.2309494     4.474033 
1 1 1 -15 -27 10 o 6.2048  2.1256  -20.3263  7.9481    -5.1197   17.155    -24.4831  8.9689    8.4124  3.7515  3.9972  1.9995  4.415267       4.251137 
1 1 1 -15 -27 11 o 12.547  2.9912  19.836    13.464    -0.3216   20.800    34.373    17.663    9.8404  4.2668  15.254  4.1932  -5.413170      5.982352 
1 1 1 -15 -27 12 o 9.7774  2.8447  0.3924    12.133    17.211    20.142    -9.1866   15.201    12.132  4.5631  7.4233  3.3981  4.708198       5.689399 
1 1 1 -15 -27 13 o 16.321  3.2091  40.202    14.553    34.919    22.571    43.960    19.038    15.416  4.8784  17.227  4.1706  -1.811386      6.418113 
1 1 1 -15 -27 14 o 30.370  2.5046  131.839   19.787    115.975   28.418    146.768   27.568    28.421  3.8306  32.318  3.2279  -3.897232      5.009241 
1 1 1 -15 -27 15 o 37.108  2.3763  194.381   23.187    220.171   32.949    169.079   32.636    39.691  3.1245  34.525  3.5813  5.166718       4.752674 
1 1 1 -15 -27 16 o 40.382  2.3381  229.210   25.027    215.410   35.368    243.050   35.419    39.096  3.4116  41.667  3.1980  -2.570671      4.676105 
1 1 1 -15 -27 17 o 10.537  3.0524  7.5707    13.732    3.1910    21.216    10.729    18.015    10.333  4.3914  10.741  4.2407  -0.4081821     6.104730 
1 1 1 -15 -27 18 o 36.100  2.3863  184.617   22.630    162.227   32.136    206.642   31.873    33.774  3.6082  38.425  3.1239  -4.651375      4.772632 
1 1 1 -15 -27 19 o 9.0244  2.8537  -5.8363   14.075    -8.2143   21.315    -3.9977   18.742    9.1179  4.1144  8.9310  3.9554  0.1869020      5.707310 
1 1 1 -15 -27 20 o 16.197  3.3903  38.648    17.023    18.365    24.529    57.491    23.643    12.860  4.9858  19.535  4.5954  -6.674871      6.780516 
1 1 1 -15 -27 21 o 12.592  3.2749  19.810    14.297    21.015    22.661    19.013    18.428    13.008  4.8504  12.176  4.4016  0.8317575      6.549831 
1 1 1 -15 -27 22 o 28.320  2.8589  116.147   20.889    136.791   30.600    98.132    28.585    30.836  3.7843  25.804  4.2863  5.032679       5.717764 
1 1 1 -15 -27 23 o 15.926  3.2787  33.585    16.864    64.837    25.096    7.8537    22.771    20.697  4.6413  11.156  4.6321  9.541553       6.557353 
1 1 1 -15 -27 24 o 55.519  2.3393  434.451   34.628    431.782   49.117    437.090   48.826    55.332  3.3296  55.707  3.2868  -0.3754768     4.678641 
1 1 1 -15 -27 25 o 23.123  3.2268  83.794    19.070    57.469    28.267    105.784   25.835    19.160  5.3193  27.086  3.6543  -7.926186      6.453611 
1 1 1 -15 -27 26 o 15.087  3.5178  33.695    16.465    35.434    24.138    32.182    22.518    15.398  5.0598  14.775  4.8886  0.6235704      7.035667 
1 1 1 -15 -27 27 o 17.465  3.4753  46.269    17.774    65.866    25.662    28.201    24.641    20.726  4.7273  14.204  5.0954  6.521483       6.950582 
1 1 1 -15 -27 28 o 13.364  3.5090  22.924    16.693    29.070    25.182    18.106    22.295    14.338  5.1502  12.390  4.7673  1.948318       7.017938 
1 1 1 -15 -27 29 o 50.152  2.3610  358.460   31.392    400.209   44.926    318.629   43.882    53.164  3.1693  47.139  3.5005  6.025490       4.722080 
1 1 1 -15 -27 30 o 10.843  3.2096  5.1441    16.323    -8.4597   23.868    17.096    22.373    9.5161  4.3182  12.170  4.7495  -2.654305      6.419111 
1 1 1 -15 -27 31 o 13.569  3.5719  25.237    17.527    19.412    25.216    30.680    24.379    12.773  5.0253  14.366  5.0772  -1.592896      7.143703 
1 1 1 -15 -27 32 o 22.873  3.3859  82.703    20.090    91.926    28.644    73.774    28.183    24.318  4.5652  21.427  5.0017  2.891407       6.771896 
1 1 1 -15 -27 33 o 12.788  3.4022  17.876    17.109    39.116    25.149    -0.4231   23.343    15.556  5.1673  10.020  4.4271  5.535913       6.804420 
1 1 1 -15 -27 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -26 1  o 29.889  2.4389  126.300   19.079    142.281   27.821    112.111   26.215    31.747  3.3208  28.031  3.5728  3.716003       4.877783 
1 1 1 -15 -26 2  o 52.638  2.1711  386.022   30.475    382.539   43.186    389.478   43.012    52.386  3.0915  52.889  3.0492  -0.5025139     4.342176 
1 1 1 -15 -26 3  o 35.975  2.2612  181.382   21.555    183.312   30.929    179.559   30.056    36.148  3.2285  35.803  3.1668  0.3442802      4.522305 
1 1 1 -15 -26 4  o 21.591  2.8637  69.435    15.734    58.560    23.671    78.043    21.060    19.790  4.5594  23.392  3.4662  -3.602179      5.727380 
1 1 1 -15 -26 5  o 19.260  3.0052  57.180    15.081    40.931    23.230    69.017    19.827    16.547  4.8969  21.973  3.4851  -5.426481      6.010430 
1 1 1 -15 -26 6  o 14.527  3.1313  28.927    13.304    41.189    21.064    20.790    17.160    16.625  4.5828  12.428  4.2682  4.196158       6.262559 
1 1 1 -15 -26 7  o 16.709  3.0529  41.417    13.630    40.384    21.300    42.134    17.738    16.474  4.6331  16.943  3.9768  -0.4694386     6.105741 
1 1 1 -15 -26 8  o 10.245  2.6574  9.7705    11.124    -13.8018  19.069    21.930    13.696    8.0772  3.7365  12.413  3.7798  -4.335904      5.314872 
1 1 1 -15 -26 9  o 44.397  2.1530  273.760   25.442    272.493   36.324    274.980   35.646    44.276  3.0821  44.517  3.0071  -0.2412186     4.306079 
1 1 1 -15 -26 10 o 26.995  2.6048  104.626   18.133    91.847    26.226    116.331   25.100    25.231  4.0151  28.759  3.3195  -3.527252      5.209598 
1 1 1 -15 -26 11 f 21.998  2.7943  68.812    15.696    90.785    23.737    51.736    20.925    25.256  3.6118  18.740  4.2646  6.515722       5.588510 
1 1 1 -15 -26 12 o 15.510  3.2302  35.447    14.292    32.910    21.889    37.332    18.870    15.099  4.8068  15.922  4.3164  -0.8224201     6.460430 
1 1 1 -15 -26 13 o 33.858  2.3369  160.474   20.917    165.024   29.971    156.153   29.207    34.332  3.2998  33.385  3.3098  0.9477005      4.673737 
1 1 1 -15 -26 14 o 16.715  2.8446  42.431    13.407    20.387    19.727    61.352    18.276    12.671  4.5577  20.759  3.4051  -8.087608      5.689179 
1 1 1 -15 -26 15 o 37.222  2.3070  194.822   22.359    235.916   31.915    155.216   31.332    41.287  2.9045  33.156  3.5851  8.130539       4.614034 
1 1 1 -15 -26 16 o 13.686  3.1824  26.357    13.570    22.174    20.541    29.596    18.077    13.070  4.6561  14.303  4.3396  -1.233162      6.364831 
1 1 1 -15 -26 17 o 39.792  2.2490  220.707   23.766    215.530   33.304    226.079   33.925    39.310  3.1906  40.275  3.1705  -0.9657936     4.497983 
1 1 1 -15 -26 18 o 27.824  2.6736  110.393   19.369    119.824   27.956    101.686   26.862    29.028  3.6781  26.621  3.8814  2.406595       5.347288 
1 1 1 -15 -26 19 o 33.183  2.4809  155.383   21.706    161.639   31.090    149.433   30.318    33.855  3.4780  32.511  3.5389  1.343975       4.961885 
1 1 1 -15 -26 20 o 44.887  2.2730  281.468   27.135    290.644   38.402    272.319   38.348    45.652  3.1600  44.122  3.2681  1.529793       4.545979 
1 1 1 -15 -26 21 o 45.327  2.3072  287.610   27.800    273.573   39.159    301.873   39.472    44.163  3.3350  46.490  3.1891  -2.326859      4.614422 
1 1 1 -15 -26 22 o 70.607  2.3179  695.994   43.816    716.538   61.772    675.193   62.158    71.710  3.2161  69.505  3.3388  2.204582       4.635839 
1 1 1 -15 -26 23 f 7.4287  2.4787  -21.9415  12.681    -7.4676   19.783    -32.0381  16.523    8.8247  3.9746  6.0327  2.9627  2.791956       4.957319 
1 1 1 -15 -26 24 o 34.106  2.5143  166.382   22.450    151.802   32.608    179.521   30.955    32.516  3.8166  35.696  3.2742  -3.179550      5.028594 
1 1 1 -15 -26 25 o 35.577  2.5111  179.345   23.434    208.437   34.270    153.794   32.117    38.402  3.3657  32.752  3.7275  5.650330       5.022182 
1 1 1 -15 -26 26 o 20.789  3.3731  66.709    18.447    55.573    27.153    76.254    25.140    18.927  5.1974  22.652  4.3008  -3.725122      6.746153 
1 1 1 -15 -26 27 o 32.768  2.5641  154.367   22.043    145.899   31.812    162.187   30.571    31.781  3.8132  33.755  3.4289  -1.973526      5.128150 
1 1 1 -15 -26 28 o 31.207  2.5871  139.938   21.140    154.595   30.522    126.424   29.307    32.870  3.5216  29.545  3.7909  3.324955       5.174191 
1 1 1 -15 -26 29 o 10.342  3.0743  0.3866    15.482    17.006    21.764    -16.6417  22.030    12.188  4.7044  8.4948  3.9591  3.693635       6.148606 
1 1 1 -15 -26 30 o 10.364  3.1620  2.0880    15.945    1.9562    23.589    2.1989    21.636    10.542  4.5574  10.187  4.3843  0.3553286      6.323937 
1 1 1 -15 -26 31 o 31.930  2.7116  149.805   22.472    131.250   32.248    167.322   31.331    29.746  4.1613  34.113  3.4777  -4.366907      5.423163 
1 1 1 -15 -26 32 o 13.684  3.5028  26.415    16.548    23.565    24.373    28.852    22.540    13.333  5.0187  14.036  4.8877  -0.7021675     7.005514 
1 1 1 -15 -26 33 o 27.490  3.0593  115.357   21.552    99.055    30.833    130.931   30.138    25.238  4.7350  29.742  3.8752  -4.503033      6.118626 
1 1 1 -15 -26 34 o 18.912  3.6547  58.868    19.288    48.550    27.787    68.463    26.795    17.168  5.4106  20.655  4.9146  -3.487133      7.309453 
1 1 1 -15 -26 35 o 20.458  3.5334  69.807    20.197    42.041    28.677    97.135    28.450    15.958  5.5156  24.957  4.4177  -8.998055      7.066710 
1 1 1 -15 -26 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -25 1  o 19.997  2.8400  58.636    14.634    56.601    21.603    60.363    19.895    19.581  4.2418  20.414  3.7776  -0.8336620     5.680021 
1 1 1 -15 -25 2  o 17.234  2.7371  41.333    13.275    74.117    20.155    16.213    17.642    22.834  3.3990  11.634  4.2912  11.20026       5.474255 
1 1 1 -15 -25 3  o 13.494  3.0442  25.856    12.379    25.025    18.546    26.522    16.625    13.398  4.4368  13.590  4.1693  -0.1925621     6.088375 
1 1 1 -15 -25 4  o 28.673  2.4386  115.076   18.266    130.100   27.178    102.698   24.669    30.409  3.3947  26.936  3.5020  3.472311       4.877297 
1 1 1 -15 -25 5  o 32.571  2.2974  147.967   19.742    159.702   28.665    137.379   27.228    33.827  3.2019  31.316  3.2955  2.511200       4.594801 
1 1 1 -15 -25 6  o 50.543  3.0952  353.830   41.701    353.830   41.701    0.0000    0.0000    50.543  3.0952  ?       ?       ?              ?        
1 1 1 -15 -25 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -25 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -25 9  o 46.860  3.7909  308.261   47.173    0.0000    0.0000    308.261   47.173    ?       ?       46.860  3.7909  ?              ?        
1 1 1 -15 -25 10 o 24.808  3.3308  86.414    21.573    0.0000    0.0000    86.414    21.573    ?       ?       24.808  3.3308  ?              ?        
1 1 1 -15 -25 11 o 33.171  2.4000  155.517   20.675    131.945   30.025    176.774   28.512    30.585  3.7432  35.758  3.0048  -5.173418      4.800051 
1 1 1 -15 -25 12 o 29.200  2.4251  119.500   18.581    116.795   26.712    122.035   25.863    28.837  3.5321  29.562  3.3239  -0.7244339     4.850226 
1 1 1 -15 -25 13 o 15.174  2.8546  32.586    14.402    -0.9518   21.794    58.585    19.188    10.093  4.3718  20.256  3.6719  -10.16315      5.709231 
1 1 1 -15 -25 14 o 34.950  2.2901  169.691   21.175    178.402   30.138    161.197   29.759    35.869  3.1695  34.031  3.3065  1.838001       4.580236 
1 1 1 -15 -25 15 o 18.509  3.0486  50.716    14.888    41.931    21.950    58.201    20.262    16.905  4.6854  20.113  3.9018  -3.208117      6.097260 
1 1 1 -15 -25 16 o 15.603  3.0342  35.840    13.644    22.189    20.152    47.391    18.539    13.110  4.6181  18.095  3.9369  -4.985212      6.068429 
1 1 1 -15 -25 17 o 7.4811  2.5649  -25.5126  13.838    -55.0432  29.500    -17.1819  15.668    8.1099  3.9779  6.8522  3.2389  1.257792       5.129712 
1 1 1 -15 -25 18 o 42.079  3.2010  245.563   35.807    0.0000    0.0000    245.563   35.807    ?       ?       42.079  3.2010  ?              ?        
1 1 1 -15 -25 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -25 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -25 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -25 22 o 50.437  3.1630  353.384   42.514    353.384   42.514    0.0000    0.0000    50.437  3.1630  ?       ?       ?              ?        
1 1 1 -15 -25 23 o 62.400  2.2509  540.809   37.541    553.139   52.964    528.360   53.219    63.189  3.1293  61.612  3.2362  1.577221       4.501759 
1 1 1 -15 -25 24 o 54.839  2.2344  419.083   32.637    442.309   46.135    395.815   46.177    56.428  3.0639  53.250  3.2531  3.177982       4.468835 
1 1 1 -15 -25 25 o 79.925  2.3808  892.967   50.957    913.931   72.093    872.037   72.035    80.902  3.3269  78.948  3.4065  1.954124       4.761615 
1 1 1 -15 -25 26 o 55.787  2.2157  434.604   32.923    464.517   46.860    405.444   46.266    57.755  3.0399  53.819  3.2243  3.935677       4.431376 
1 1 1 -15 -25 27 o 17.742  2.9211  43.299    16.134    88.419    23.918    5.6277    21.855    24.755  3.7225  10.729  4.5028  14.02543       5.842297 
1 1 1 -15 -25 28 o 77.753  2.3947  850.644   49.872    845.339   70.531    855.947   70.527    77.498  3.3978  78.007  3.3754  -0.5095978     4.789463 
1 1 1 -15 -25 29 o 50.099  2.3026  354.010   30.698    336.884   43.442    371.091   43.383    48.817  3.3426  51.381  3.1678  -2.563866      4.605182 
1 1 1 -15 -25 30 o 8.9141  2.8243  -8.9077   14.363    3.1739    20.432    -20.7096  20.194    10.087  4.2988  7.7410  3.6644  2.346169       5.648671 
1 1 1 -15 -25 31 o 10.620  3.1079  2.6228    15.027    19.759    22.859    -10.4179  19.941    12.727  4.8438  8.5136  3.8954  4.213380       6.215775 
1 1 1 -15 -25 32 o 14.923  3.5304  33.209    16.751    27.496    24.229    38.441    23.186    14.014  5.0500  15.831  4.9349  -1.817362      7.060823 
1 1 1 -15 -25 33 o 40.971  2.4863  241.587   26.849    273.110   38.415    211.482   37.541    43.766  3.3013  38.176  3.7186  5.589867       4.972531 
1 1 1 -15 -25 34 o 9.8827  3.0178  -2.9627   15.435    13.574    22.059    -18.8272  21.606    11.606  4.6562  8.1592  3.8404  3.446881       6.035625 
1 1 1 -15 -25 35 o 7.2376  2.4811  -31.3746  15.046    -40.9076  22.357    -23.4823  20.342    6.9800  3.4316  7.4951  3.5845  -0.5150471     4.962299 
1 1 1 -15 -25 36 o 18.248  3.0264  48.486    18.253    102.320   26.582    0.4578    25.108    26.058  3.9308  10.438  4.6028  15.62001       6.052790 
1 1 1 -15 -25 37 o 29.968  4.4247  140.459   34.449    0.0000    0.0000    140.459   34.449    ?       ?       29.968  4.4247  ?              ?        
1 1 1 -15 -24 1  o 21.882  3.9962  69.271    22.559    69.271    22.559    0.0000    0.0000    21.882  3.9962  ?       ?       ?              ?        
1 1 1 -15 -24 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -24 3  o 29.236  3.1918  119.195   24.588    0.0000    0.0000    119.195   24.588    ?       ?       29.236  3.1918  ?              ?        
1 1 1 -15 -24 4  o 52.742  2.1233  383.638   29.830    370.989   42.802    395.585   41.597    51.847  3.0963  53.637  2.9062  -1.790192      4.246548 
1 1 1 -15 -24 5  o 20.875  2.8252  61.066    15.101    79.283    23.293    47.857    19.835    23.606  3.8140  18.144  4.1689  5.461889       5.650388 
1 1 1 -15 -24 6  o 44.845  2.0862  276.366   24.911    286.633   35.715    266.639   34.762    45.665  2.9356  44.026  2.9651  1.639084       4.172475 
1 1 1 -15 -24 7  o 46.779  2.1241  302.081   26.308    266.454   37.321    337.269   37.090    43.937  3.1931  49.620  2.8021  -5.683399      4.248286 
1 1 1 -15 -24 8  o 34.822  2.2373  168.291   20.511    149.718   29.151    186.500   28.864    32.828  3.3628  36.816  2.9519  -3.988743      4.474554 
1 1 1 -15 -24 9  o 79.734  2.2907  872.709   48.894    911.018   69.534    835.240   68.766    81.497  3.1854  77.971  3.2927  3.526077       4.581378 
1 1 1 -15 -24 10 o 14.024  2.7301  26.804    12.894    -2.0764   19.554    49.025    17.152    9.4813  4.1240  18.567  3.5787  -9.085306      5.460261 
1 1 1 -15 -24 11 o 8.9649  2.6494  1.7279    10.972    -7.6598   17.068    8.3394    14.323    8.2043  3.6938  9.7256  3.7989  -1.521246      5.298705 
1 1 1 -15 -24 12 o 26.883  2.4939  101.879   17.302    86.763    24.713    116.410   24.231    24.775  3.8490  28.991  3.1722  -4.215628      4.987738 
1 1 1 -15 -24 13 o 85.268  2.3248  997.756   53.086    1019.64   75.141    975.948   75.009    86.223  3.2536  84.313  3.3215  1.909409       4.649511 
1 1 1 -15 -24 14 o 23.353  2.8476  77.424    17.143    84.639    24.910    70.932    23.628    24.435  3.9400  22.272  4.1123  2.163073       5.695135 
1 1 1 -15 -24 15 o 40.748  2.1761  228.079   23.534    210.829   32.679    246.664   33.921    39.117  3.1456  42.378  3.0079  -3.261284      4.352288 
1 1 1 -15 -24 16 o 24.073  2.6176  81.949    16.194    95.603    23.174    68.915    22.640    26.172  3.3850  21.974  3.9937  4.198158       5.235288 
1 1 1 -15 -24 17 o 73.852  2.2223  747.394   43.955    731.872   61.769    763.316   62.560    73.068  3.1562  74.635  3.1294  -1.567642      4.444624 
1 1 1 -15 -24 18 o 71.216  2.2124  694.924   42.188    672.265   58.903    718.792   60.454    70.018  3.1408  72.414  3.1168  -2.395264      4.424819 
1 1 1 -15 -24 19 o 25.536  2.7400  93.209    17.890    76.088    25.375    110.130   25.227    22.992  4.2778  28.080  3.4251  -5.087547      5.480080 
1 1 1 -15 -24 20 o 46.416  2.1651  296.740   26.762    299.910   37.588    293.483   38.111    46.685  3.0222  46.147  3.1013  0.5376625      4.330301 
1 1 1 -15 -24 21 o 19.501  3.0990  55.461    15.844    64.466    22.661    46.849    22.161    21.131  4.1519  17.871  4.6019  3.260357       6.198031 
1 1 1 -15 -24 22 o 45.404  2.1742  284.624   26.280    290.147   37.097    279.061   37.233    45.864  3.0370  44.944  3.1121  0.9207039      4.348389 
1 1 1 -15 -24 23 o 8.1162  2.6251  -12.8454  12.659    -3.5405   19.734    -19.3504  16.500    9.3101  4.0938  6.9222  3.2872  2.387929       5.250233 
1 1 1 -15 -24 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -24 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -24 26 o 39.765  2.2873  221.631   23.900    257.597   34.047    186.688   33.559    43.105  2.9670  36.426  3.4820  6.679096       4.574667 
1 1 1 -15 -24 27 o 24.533  2.8636  87.211    18.120    96.318    26.137    78.785    25.142    25.858  3.8946  23.209  4.1991  2.649179       5.727164 
1 1 1 -15 -24 28 o 21.889  3.0997  72.889    17.756    109.641   25.461    38.094    24.774    27.758  3.5025  16.020  5.1153  11.73755       6.199468 
1 1 1 -15 -24 29 o 17.739  3.3057  47.651    16.723    28.685    23.697    66.464    23.602    14.332  5.0105  21.145  4.3134  -6.812672      6.611343 
1 1 1 -15 -24 30 o 42.187  2.2530  249.898   25.207    274.136   36.405    227.577   34.935    44.216  3.0934  40.159  3.2764  4.056961       4.505996 
1 1 1 -15 -24 31 o 45.929  2.2608  297.031   27.625    309.776   39.627    284.981   38.531    46.908  3.1726  44.950  3.2216  1.957928       4.521501 
1 1 1 -15 -24 32 o 14.292  3.3539  28.621    16.008    12.830    23.041    43.354    22.256    11.779  4.7469  16.806  4.7393  -5.027417      6.707778 
1 1 1 -15 -24 33 o 22.368  3.2048  76.132    18.570    99.256    26.938    55.190    25.636    25.952  4.0041  18.785  5.0049  7.167130       6.409502 
1 1 1 -15 -24 34 o 9.0313  2.7744  -12.8686  14.396    -41.1688  20.596    14.166    20.130    6.5892  3.2499  11.473  4.4975  -4.884140      5.548824 
1 1 1 -15 -24 35 o 17.108  3.6087  46.028    17.949    54.885    25.951    37.904    24.852    18.574  5.0730  15.642  5.1339  2.931621       7.217497 
1 1 1 -15 -24 36 o 13.905  3.2347  16.832    17.893    58.666    25.989    -20.8706  24.672    19.130  5.0119  8.6790  4.0908  10.45107       6.469421 
1 1 1 -15 -24 37 o 9.0739  2.8957  -7.2130   15.283    1.9122    20.156    -19.5570  23.442    9.6912  4.2011  8.4566  3.9864  1.234629       5.791457 
1 1 1 -15 -24 38 o 11.143  3.0980  4.8312    16.423    32.000    22.035    -29.1212  24.632    14.243  4.8374  8.0430  3.8716  6.199897       6.195962 
1 1 1 -15 -23 1  o 11.452  2.8147  15.473    11.526    1.4201    17.674    25.870    15.203    9.4261  4.0072  13.477  3.9539  -4.051005      5.629439 
1 1 1 -15 -23 2  o 34.191  2.1471  161.599   19.414    157.436   28.157    165.371   26.804    33.728  3.1534  34.654  2.9148  -0.9260597     4.294182 
1 1 1 -15 -23 3  f 18.838  2.6569  54.974    13.572    16.774    19.659    89.765    18.761    12.168  4.5215  25.509  2.7914  -13.34026      5.313769 
1 1 1 -15 -23 4  o 37.993  2.1109  198.278   21.300    202.110   30.654    194.701   29.618    38.342  3.0090  37.644  2.9614  0.6981697      4.221874 
1 1 1 -15 -23 5  o 41.322  2.0739  233.982   22.787    246.319   32.566    222.148   31.896    42.410  2.8841  40.235  2.9809  2.174782       4.147702 
1 1 1 -15 -23 6  o 55.108  2.0618  415.373   30.300    401.793   43.175    428.552   42.534    54.190  2.9861  56.025  2.8437  -1.835091      4.123507 
1 1 1 -15 -23 7  o 24.883  2.4659  87.742    15.697    73.940    22.912    99.947    21.547    22.861  3.8806  26.905  3.0435  -4.043432      4.931715 
1 1 1 -15 -23 8  o 40.842  2.0880  228.413   22.676    226.606   32.513    230.124   31.641    40.668  3.0061  41.016  2.8988  -0.3482933     4.176072 
1 1 1 -15 -23 9  o 33.715  2.2021  156.232   19.656    160.536   28.172    152.150   27.437    34.171  3.1121  33.258  3.1163  0.9129791      4.404149 
1 1 1 -15 -23 10 o 14.708  2.9957  31.045    12.545    25.035    19.244    35.485    16.543    13.669  4.5192  15.747  3.9338  -2.077811      5.991489 
1 1 1 -15 -23 11 o 17.027  2.9359  40.910    13.462    54.424    19.925    29.560    18.259    19.550  3.9411  14.504  4.3527  5.046195       5.871816 
1 1 1 -15 -23 12 o 56.453  2.0709  434.677   31.197    461.461   44.065    407.760   44.174    58.270  2.8233  54.635  3.0305  3.635151       4.141855 
1 1 1 -15 -23 13 o 74.212  2.1863  750.581   43.456    742.446   61.136    758.889   61.783    73.805  3.0926  74.619  3.0912  -0.8133621     4.372591 
1 1 1 -15 -23 14 o 34.088  2.1511  159.483   19.434    160.041   27.475    158.924   27.492    34.150  3.0354  34.026  3.0488  0.1237679      4.302197 
1 1 1 -15 -23 15 o 67.781  2.1363  625.825   38.784    627.052   54.727    624.587   54.973    67.851  3.0113  67.710  3.0311  0.1409683      4.272674 
1 1 1 -15 -23 16 o 78.023  2.2214  831.510   46.369    865.013   65.027    796.852   66.140    79.666  3.0474  76.380  3.2329  3.286400       4.442809 
1 1 1 -15 -23 17 o 29.136  2.3204  117.611   17.757    111.607   25.348    123.397   24.882    28.361  3.4049  29.911  3.1533  -1.549658      4.640795 
1 1 1 -15 -23 18 o 33.811  2.2377  157.616   19.964    143.519   28.102    171.980   28.366    32.230  3.3019  35.392  3.0212  -3.162521      4.475494 
1 1 1 -15 -23 19 o 77.995  2.2464  831.735   46.918    838.187   65.830    825.073   66.887    78.322  3.1380  77.668  3.2152  0.6535873      4.492734 
1 1 1 -15 -23 20 o 28.774  2.4257  115.174   18.318    112.011   25.966    118.307   25.846    28.357  3.4924  29.191  3.3674  -0.8345909     4.851413 
1 1 1 -15 -23 21 o 39.740  2.1284  216.924   22.484    216.640   32.056    217.199   31.543    39.705  3.0373  39.774  2.9825  -0.6940842E-01 4.256837 
1 1 1 -15 -23 22 o 60.504  2.1553  502.067   34.816    500.133   48.992    504.041   49.487    60.391  3.0384  60.618  3.0578  -0.2268524     4.310691 
1 1 1 -15 -23 23 o 33.250  2.2983  153.850   20.097    139.636   28.753    167.426   28.100    31.661  3.4463  34.840  3.0418  -3.179028      4.596648 
1 1 1 -15 -23 24 o 47.699  2.1046  313.188   26.662    344.242   37.947    282.912   37.469    50.100  2.8395  45.297  3.1071  4.803516       4.209106 
1 1 1 -15 -23 25 o 23.455  2.9123  79.783    17.427    61.379    24.500    98.630    24.793    20.455  4.5851  26.454  3.5919  -5.998596      5.824500 
1 1 1 -15 -23 26 o 15.763  3.3412  36.014    15.195    37.974    22.289    34.311    20.769    16.129  4.8019  15.396  4.6471  0.7337904      6.682379 
1 1 1 -15 -23 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -23 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -23 29 o 24.733  2.8472  88.646    18.175    96.710    25.985    80.923    25.430    25.929  3.8591  23.537  4.1873  2.392195       5.694367 
1 1 1 -15 -23 30 o 37.024  2.3543  194.299   22.904    174.012   33.089    212.958   31.734    35.004  3.5797  39.044  3.0590  -4.040272      4.708623 
1 1 1 -15 -23 31 o 41.840  2.2735  245.827   25.259    260.609   36.338    232.008   35.135    43.088  3.1708  40.591  3.2591  2.497341       4.547091 
1 1 1 -15 -23 32 o 15.009  3.3789  32.904    16.350    16.052    24.132    47.202    22.229    12.418  4.9065  17.600  4.6468  -5.181850      6.757706 
1 1 1 -15 -23 33 f 11.712  3.0994  11.096    14.849    -9.6797   21.130    31.367    20.871    8.8758  4.0412  14.548  4.7004  -5.671906      6.198819 
1 1 1 -15 -23 34 o 15.584  3.1878  34.129    16.462    5.4389    23.382    62.328    23.181    10.891  4.6186  20.277  4.3950  -9.385934      6.375550 
1 1 1 -15 -23 35 o 32.153  2.5851  149.677   21.849    157.414   31.253    142.282   30.555    33.014  3.5924  31.292  3.7183  1.721514       5.170229 
1 1 1 -15 -23 36 o 18.857  3.0001  53.504    17.617    7.4113    24.563    102.329   25.280    11.253  4.7507  26.461  3.6652  -15.20866      6.000242 
1 1 1 -15 -23 37 o 14.532  3.4426  30.793    17.019    46.994    23.481    12.862    24.703    17.208  4.8733  11.857  4.8640  5.351722       6.885257 
1 1 1 -15 -23 38 o 15.713  3.6163  39.462    17.506    35.654    24.662    43.331    24.854    15.060  5.1176  16.365  5.1107  -1.305402      7.232511 
1 1 1 -15 -23 39 o 8.7775  2.8060  -22.0045  16.227    11.317    22.211    -60.1470  23.764    11.114  4.5915  6.4413  3.2270  4.672469       5.612032 
1 1 1 -15 -23 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -22 1  o 54.059  2.0647  399.709   29.784    398.809   42.260    400.598   41.983    53.994  2.9331  54.125  2.9065  -0.1315727     4.129304 
1 1 1 -15 -22 2  o 35.564  2.0869  174.721   19.534    154.506   28.112    193.594   27.163    33.483  3.1725  37.645  2.7121  -4.162560      4.173719 
1 1 1 -15 -22 3  o 45.181  2.0084  278.548   24.170    291.086   34.577    266.569   33.798    46.188  2.8082  44.174  2.8721  2.014141       4.016868 
1 1 1 -15 -22 4  o 12.837  2.8564  21.617    10.950    28.820    16.975    16.484    14.330    14.292  4.1736  11.381  3.9009  2.911539       5.712743 
1 1 1 -15 -22 5  o 61.581  2.0719  515.504   34.173    520.782   48.643    510.360   48.019    61.891  2.9343  61.271  2.9260  0.6198349      4.143828 
1 1 1 -15 -22 6  o 33.992  2.0774  158.172   18.682    171.598   26.646    145.191   26.201    35.447  2.8302  32.536  3.0418  2.910412       4.154798 
1 1 1 -15 -22 7  o 26.848  2.2215  99.334    15.661    100.098   22.614    98.630    21.709    26.935  3.1970  26.761  3.0853  0.1739159      4.442935 
1 1 1 -15 -22 8  o 45.501  2.0325  282.265   24.597    302.737   34.875    262.004   34.695    47.177  2.7721  43.825  2.9733  3.351852       4.065092 
1 1 1 -15 -22 9  o 63.605  2.0970  550.588   35.576    595.704   50.434    505.906   50.191    66.276  2.8410  60.934  3.0853  5.341721       4.194086 
1 1 1 -15 -22 10 o 32.142  2.1760  141.579   18.499    146.368   26.329    136.911   25.996    32.692  3.0417  31.592  3.1125  1.099363       4.352032 
1 1 1 -15 -22 11 o 32.421  2.1461  144.158   18.365    156.023   26.005    132.352   25.940    33.796  2.9009  31.047  3.1635  2.749266       4.292220 
1 1 1 -15 -22 12 o 33.224  2.1242  150.941   18.678    141.976   26.094    160.362   26.749    32.191  3.0632  34.257  2.9438  -2.065926      4.248451 
1 1 1 -15 -22 13 o 16.587  2.8855  39.176    12.760    43.641    18.271    34.926    17.827    17.506  3.9859  15.667  4.1733  1.838631       5.770941 
1 1 1 -15 -22 14 o 32.442  2.1376  144.229   18.338    147.546   25.540    140.699   26.347    32.851  2.9334  32.032  3.1100  0.8184433      4.275154 
1 1 1 -15 -22 15 o 55.901  2.0585  425.042   30.722    437.257   42.842    412.112   44.080    56.792  2.8164  55.011  3.0029  1.780972       4.116992 
1 1 1 -15 -22 16 o 45.884  2.0385  286.916   24.894    291.079   34.507    282.399   35.946    46.254  2.7985  45.513  2.9649  0.7409668      4.076989 
1 1 1 -15 -22 17 o 61.141  2.0518  507.146   33.577    481.051   46.945    534.475   48.043    59.519  2.9447  62.762  2.8579  -3.243076      4.103528 
1 1 1 -15 -22 18 o 30.380  2.3475  128.564   18.222    95.386    25.411    163.685   26.144    26.143  3.7350  34.617  2.8448  -8.474131      4.695065 
1 1 1 -15 -22 19 o 73.104  2.1656  727.252   42.397    731.341   59.533    723.043   60.393    73.324  3.0313  72.883  3.0937  0.4405746      4.331184 
1 1 1 -15 -22 20 o 44.452  2.0549  270.080   24.266    292.488   34.371    247.813   34.263    46.335  2.7823  42.569  3.0246  3.765991       4.109710 
1 1 1 -15 -22 21 f 64.436  2.1016  565.175   36.270    558.635   51.227    571.749   51.362    64.057  2.9857  64.814  2.9586  -0.7570419     4.203248 
1 1 1 -15 -22 22 o 42.013  2.0587  241.419   23.004    229.379   32.366    253.709   32.701    40.931  2.9725  43.095  2.8490  -2.163536      4.117354 
1 1 1 -15 -22 23 o 38.940  2.1066  208.451   21.739    194.202   31.073    222.112   30.425    37.584  3.1148  40.296  2.8370  -2.712120      4.213103 
1 1 1 -15 -22 24 o 20.689  2.9451  64.094    15.819    35.866    22.761    90.464    22.000    15.888  4.8792  25.491  3.2996  -9.602880      5.890194 
1 1 1 -15 -22 25 f 48.051  2.0759  316.571   26.589    317.320   37.602    315.822   37.604    48.110  2.9320  47.993  2.9395  0.1169739      4.151780 
1 1 1 -15 -22 26 o 37.015  2.1823  189.052   21.426    197.832   30.545    180.547   30.062    37.884  3.0357  36.146  3.1361  1.737885       4.364674 
1 1 1 -15 -22 27 o 18.906  3.1891  52.191    15.873    54.685    23.591    50.128    21.456    19.293  4.6252  18.520  4.3919  0.7731323      6.378213 
1 1 1 -15 -22 28 o 46.747  2.1256  301.254   26.459    313.219   38.138    290.153   36.738    47.645  3.0039  45.849  3.0083  1.796482       4.251220 
1 1 1 -15 -22 29 o 16.301  5.2168  38.634    25.756    0.0000    0.0000    38.634    25.756    ?       ?       16.301  5.2168  ?              ?        
1 1 1 -15 -22 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -22 31 o 43.608  2.2363  265.319   25.885    289.389   37.272    242.892   35.978    45.576  3.0711  41.640  3.2515  3.935719       4.472614 
1 1 1 -15 -22 32 o 19.804  3.2495  58.734    17.079    74.821    24.924    44.495    23.449    22.484  4.2953  17.124  4.8772  5.359339       6.498982 
1 1 1 -15 -22 33 o 12.560  3.3664  18.036    15.838    25.892    22.609    10.467    22.193    13.741  4.8859  11.379  4.6324  2.361647       6.732877 
1 1 1 -15 -22 34 o 26.271  2.9055  101.672   19.755    95.858    27.749    107.646   28.129    25.433  4.2215  27.110  3.9935  -1.676908      5.811069 
1 1 1 -15 -22 35 o 20.524  3.3109  64.844    17.823    70.402    25.041    59.139    25.372    21.534  4.4870  19.515  4.8698  2.019709       6.621809 
1 1 1 -15 -22 36 o 23.735  3.1751  87.389    19.230    106.071   26.476    66.530    27.977    26.936  3.7733  20.535  5.1076  6.400749       6.350276 
1 1 1 -15 -22 37 o 24.624  3.2702  93.617    20.692    80.989    29.666    105.581   28.877    22.693  5.0143  26.556  4.1994  -3.863279      6.540496 
1 1 1 -15 -22 38 o 15.033  3.6182  33.604    18.336    18.179    26.218    48.371    25.653    12.717  5.0852  17.349  5.1484  -4.632466      7.236443 
1 1 1 -15 -22 39 o 9.1910  2.9658  -8.8109   16.147    -10.1267  21.943    -7.2572   23.845    8.8680  4.0681  9.5139  4.3168  -0.6458960     5.931611 
1 1 1 -15 -22 40 o 9.9367  2.9344  -6.1821   15.897    23.361    21.130    -44.7181  24.132    12.737  4.6965  7.1365  3.5194  5.600474       5.868879 
1 1 1 -15 -22 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -21 1  o 24.469  2.2712  82.945    14.512    82.780    20.951    83.097    20.120    24.426  3.2856  24.511  3.1366  -0.8447266E-01 4.542438 
1 1 1 -15 -21 2  o 36.491  2.0284  181.904   19.655    178.090   28.057    185.580   27.541    36.098  2.9270  36.883  2.8090  -0.7847137     4.056811 
1 1 1 -15 -21 3  o 46.251  1.9655  291.042   24.226    282.076   34.295    299.974   34.228    45.525  2.8264  46.977  2.7320  -1.451374      3.930998 
1 1 1 -15 -21 4  o 63.374  2.0768  544.948   35.244    535.849   50.091    553.868   49.599    62.839  2.9761  63.909  2.8975  -1.069656      4.153599 
1 1 1 -15 -21 5  o 35.294  2.0500  169.905   19.188    180.131   27.382    160.039   26.895    36.358  2.8341  34.230  2.9627  2.128666       4.099956 
1 1 1 -15 -21 6  o 53.157  2.0028  383.661   28.410    386.914   40.551    380.524   39.814    53.376  2.8467  52.939  2.8180  0.4364586      4.005595 
1 1 1 -15 -21 7  o 71.652  2.1470  696.034   41.201    710.158   58.691    682.312   57.851    72.371  3.0278  70.933  3.0449  1.438026       4.294055 
1 1 1 -15 -21 8  f 19.550  2.6794  53.963    13.504    51.705    19.563    56.017    18.662    19.115  3.9515  19.985  3.6196  -0.8697834     5.358767 
1 1 1 -15 -21 9  o 40.970  1.9939  228.172   21.745    228.534   30.568    227.801   30.939    41.007  2.7998  40.932  2.8396  0.7455826E-01  3.987708 
1 1 1 -15 -21 10 o 9.2523  2.5994  6.0469    9.7544    0.8376    15.004    9.8608    12.838    8.7455  3.7037  9.7591  3.6484  -1.013549      5.198863 
1 1 1 -15 -21 11 o 34.435  2.0654  161.963   18.792    145.653   26.488    178.491   26.665    32.643  3.0654  36.226  2.7690  -3.583069      4.130865 
1 1 1 -15 -21 12 o 39.123  2.0254  208.187   21.060    197.609   29.563    219.087   30.009    38.097  2.9193  40.148  2.8083  -2.051617      4.050788 
1 1 1 -15 -21 13 o 21.835  2.5185  66.651    14.180    60.774    20.137    72.432    19.972    20.813  3.7502  22.857  3.3626  -2.044746      5.036947 
1 1 1 -15 -21 14 o 71.156  2.1075  685.764   40.163    672.611   56.379    699.316   57.229    70.462  2.9873  71.851  2.9737  -1.388885      4.215064 
1 1 1 -15 -21 15 o 83.864  2.2411  954.534   50.327    964.423   70.601    944.318   71.761    84.321  3.1260  83.408  3.2121  0.9130402      4.482127 
1 1 1 -15 -21 16 o 21.199  2.6147  62.901    14.242    53.074    19.715    73.628    20.597    19.374  3.9334  23.024  3.4459  -3.649666      5.229339 
1 1 1 -15 -21 17 o 59.203  2.0208  474.511   32.039    467.794   44.823    481.528   45.814    58.777  2.8471  59.628  2.8685  -0.8516769     4.041595 
1 1 1 -15 -21 18 o 49.078  1.9862  327.079   25.990    314.698   36.444    339.891   37.074    48.122  2.8400  50.033  2.7774  -1.910816      3.972368 
1 1 1 -15 -21 19 o 41.230  2.0292  231.358   22.265    224.858   31.152    238.144   31.832    40.633  2.8810  41.827  2.8584  -1.194210      4.058418 
1 1 1 -15 -21 20 o 41.966  2.0423  239.932   22.813    244.022   32.210    235.816   32.316    42.334  2.8573  41.598  2.9189  0.7358513      4.084649 
1 1 1 -15 -21 21 o 58.446  2.0240  464.049   31.621    452.241   44.803    475.769   44.637    57.657  2.9105  59.235  2.8133  -1.578316      4.047961 
1 1 1 -15 -21 22 o 19.210  2.7675  54.054    13.742    36.360    19.980    69.939    18.931    15.981  4.4848  22.439  3.2440  -6.457595      5.535070 
1 1 1 -15 -21 23 o 37.938  2.0979  197.091   21.117    190.210   30.286    203.602   29.460    37.263  3.0615  38.612  2.8690  -1.348888      4.195707 
1 1 1 -15 -21 24 o 42.328  2.0560  244.834   23.162    251.128   32.801    238.575   32.712    42.883  2.8723  41.773  2.9424  1.110107       4.111925 
1 1 1 -15 -21 25 o 43.615  2.0349  259.875   23.628    271.385   33.840    248.926   33.005    44.570  2.8496  42.661  2.9057  1.908611       4.069831 
1 1 1 -15 -21 26 o 23.725  2.7925  81.031    16.539    115.376   24.025    50.091    22.803    28.883  3.1569  18.568  4.6071  10.31541       5.584918 
1 1 1 -15 -21 27 f 49.602  2.0790  336.932   27.484    349.933   39.531    324.767   38.239    50.533  2.9332  48.671  2.9471  1.862125       4.158049 
1 1 1 -15 -21 28 o 19.431  3.0955  55.048    15.741    50.028    22.452    59.901    22.075    18.496  4.5606  20.365  4.1867  -1.868687      6.190972 
1 1 1 -15 -21 29 o 35.572  2.2721  176.130   21.332    165.928   30.837    185.492   29.540    34.509  3.3796  36.635  3.0378  -2.126553      4.544177 
1 1 1 -15 -21 30 o 12.329  3.1499  16.268    14.616    -1.2519   21.791    30.595    19.706    10.035  4.3592  14.622  4.5481  -4.587286      6.299848 
1 1 1 -15 -21 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -21 32 o 8.6181  2.8693  -21.4615  16.739    -4.1522   18.509    -99.2322  39.232    8.8823  3.9324  8.3539  4.1794  0.5283976      5.738571 
1 1 1 -15 -21 33 o 13.922  3.3761  26.940    15.270    22.655    21.571    31.246    21.619    13.170  4.7620  14.674  4.7870  -1.503852      6.752190 
1 1 1 -15 -21 34 o 8.7914  2.7132  -10.8101  13.763    10.767    18.431    -38.0121  20.694    10.773  4.2779  6.8094  3.3383  3.963961       5.426328 
1 1 1 -15 -21 35 o 22.709  3.1153  77.649    18.237    82.446    25.334    72.489    26.275    23.582  4.1632  21.836  4.6356  1.745132       6.230642 
1 1 1 -15 -21 36 o 19.842  3.0081  59.106    18.268    114.709   26.382    7.8860    25.321    28.180  3.5758  11.504  4.8383  16.67553       6.016263 
1 1 1 -15 -21 37 o 10.362  3.0733  3.9425    15.021    14.590    20.233    -9.1315   22.421    11.548  4.5140  9.1749  4.1718  2.373234       6.146541 
1 1 1 -15 -21 38 o 21.632  3.2787  73.583    18.498    56.513    26.764    89.196    25.596    18.813  5.1574  24.452  4.0499  -5.638575      6.557489 
1 1 1 -15 -21 39 o 28.421  3.1503  124.740   22.770    101.624   32.726    146.433   31.702    25.358  4.9960  31.483  3.8389  -6.125212      6.300570 
1 1 1 -15 -21 40 o 11.969  3.5382  11.785    19.117    18.185    27.062    5.4110    27.008    12.683  5.1328  11.256  4.8712  1.427121       7.076314 
1 1 1 -15 -21 41 o 15.601  3.4965  30.107    20.235    -8.2289   27.416    75.977    29.990    9.9863  4.5686  21.216  5.2943  -11.22995      6.992973 
1 1 1 -15 -20 1  o 28.668  2.0958  112.747   15.833    107.452   22.613    117.839   22.175    27.977  3.0679  29.358  2.8562  -1.381189      4.191626 
1 1 1 -15 -20 2  o 38.645  1.9686  203.134   20.238    201.287   28.685    204.964   28.558    38.465  2.8035  38.825  2.7643  -0.3600807     3.937125 
1 1 1 -15 -20 3  o 29.431  2.0634  118.138   15.950    135.699   23.154    102.278   22.004    31.557  2.7673  27.305  3.0614  4.252752       4.126763 
1 1 1 -15 -20 4  o 46.207  1.9792  289.760   24.378    290.968   34.736    288.587   34.222    46.299  2.8144  46.115  2.7836  0.1839523      3.958427 
1 1 1 -15 -20 5  o 66.611  2.0643  600.843   36.801    578.907   52.372    622.237   51.722    65.393  2.9901  67.830  2.8469  -2.437126      4.128584 
1 1 1 -15 -20 6  o 16.207  2.5543  36.603    10.909    49.108    16.144    26.095    14.799    18.756  3.3359  13.659  3.8692  5.096971       5.108686 
1 1 1 -15 -20 7  o 33.286  2.0686  150.966   18.247    156.529   25.933    145.512   25.679    33.906  2.8829  32.666  2.9673  1.239773       4.137135 
1 1 1 -15 -20 8  o 18.481  2.7369  47.875    13.114    56.731    19.249    40.204    17.915    20.120  3.7086  16.842  4.0260  3.278090       5.473766 
1 1 1 -15 -20 9  o 43.313  1.9714  254.486   22.746    257.175   32.059    251.760   32.278    43.549  2.7628  43.077  2.8130  0.4725990      3.942804 
1 1 1 -15 -20 10 f 47.730  1.9417  308.735   24.709    311.833   34.583    305.504   35.316    47.984  2.7017  47.476  2.7895  0.5084763      3.883384 
1 1 1 -15 -20 11 f 23.251  2.4466  75.304    14.598    88.830    20.785    62.136    20.508    25.433  3.1163  21.069  3.7725  4.364643       4.893221 
1 1 1 -15 -20 12 o 31.840  2.0582  138.297   17.336    141.687   24.129    134.680   24.924    32.264  2.8205  31.416  2.9983  0.8475513      4.116393 
1 1 1 -15 -20 13 o 52.952  1.9753  379.853   27.913    398.444   39.191    360.713   39.766    54.325  2.6934  51.579  2.8900  2.746002       3.950535 
1 1 1 -15 -20 14 o 62.062  2.0143  520.199   33.444    485.462   46.669    556.867   47.949    59.921  2.9078  64.202  2.7883  -4.280155      4.028653 
1 1 1 -15 -20 15 o 78.443  2.1536  832.778   45.242    830.014   63.379    835.649   64.601    78.317  3.0213  78.569  3.0697  -0.2522812     4.307181 
1 1 1 -15 -20 16 o 20.389  2.6019  58.625    13.576    45.532    19.032    72.192    19.373    17.923  4.0587  22.856  3.2566  -4.933361      5.203756 
1 1 1 -15 -20 17 o 62.422  2.0146  526.555   33.669    504.988   47.030    549.229   48.222    61.106  2.8734  63.737  2.8246  -2.630936      4.029294 
1 1 1 -15 -20 18 o 34.624  2.0518  163.817   18.779    177.070   26.327    150.089   26.793    36.094  2.7436  33.153  3.0515  2.941185       4.103571 
1 1 1 -15 -20 19 o 42.233  1.9864  242.455   22.319    254.066   31.509    230.764   31.618    43.268  2.7328  41.197  2.8835  2.071545       3.972796 
1 1 1 -15 -20 20 o 34.671  2.0670  164.600   18.909    147.496   26.956    181.168   26.530    32.840  3.1013  36.503  2.7334  -3.662704      4.133908 
1 1 1 -15 -20 21 o 41.861  1.9787  238.648   22.010    223.465   31.347    253.411   30.911    40.515  2.9080  43.207  2.6842  -2.692051      3.957468 
1 1 1 -15 -20 22 o 27.525  2.3362  104.888   16.771    93.967    23.898    115.483   23.540    26.036  3.5169  29.013  3.0761  -2.976727      4.672315 
1 1 1 -15 -20 23 f 89.580  2.3104  1091.96   55.434    1103.69   78.642    1080.38   78.152    90.061  3.2601  89.099  3.2748  0.9623184      4.620838 
1 1 1 -15 -20 24 o 55.572  2.0190  419.765   29.973    413.092   42.994    426.076   41.808    55.088  2.9243  56.057  2.7844  -0.9695854     4.037904 
1 1 1 -15 -20 25 o 63.263  2.0664  543.642   35.008    555.381   50.074    532.419   48.962    63.930  2.9243  62.596  2.9203  1.334354       4.132745 
1 1 1 -15 -20 26 o 31.669  2.2252  137.783   18.608    145.503   26.972    130.771   25.704    32.525  3.1348  30.813  3.1591  1.712105       4.450488 
1 1 1 -15 -20 27 o 28.304  2.5559  116.875   17.795    79.443    26.138    149.218   24.296    23.594  4.2942  33.015  2.7732  -9.421309      5.111837 
1 1 1 -15 -20 28 o 56.168  2.0948  431.875   31.392    425.780   44.772    437.770   44.028    55.759  3.0090  56.578  2.9152  -0.8198547     4.189573 
1 1 1 -15 -20 29 o 24.285  2.7495  84.497    17.034    67.800    24.168    100.976   24.011    21.679  4.3138  26.890  3.4104  -5.210577      5.499071 
1 1 1 -15 -20 30 o 13.104  2.9272  17.305    14.025    -8.5741   19.628    44.297    20.046    8.7757  3.9552  17.431  4.3162  -8.655747      5.854354 
1 1 1 -15 -20 31 o 35.639  2.2988  176.702   21.667    188.512   30.844    165.197   30.443    36.862  3.1544  34.416  3.3447  2.445644       4.597538 
1 1 1 -15 -20 32 o 25.351  4.0471  92.503    26.556    0.0000    0.0000    92.503    26.556    ?       ?       25.351  4.0471  ?              ?        
1 1 1 -15 -20 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -20 34 o 34.461  2.4306  168.980   21.967    154.749   31.940    181.756   30.261    32.930  3.6843  35.993  3.1714  -3.062119      4.861249 
1 1 1 -15 -20 35 o 9.1706  2.8561  -7.9518   14.226    -21.6746  19.347    8.2039    20.992    7.4697  3.5507  10.872  4.4746  -3.401897      5.712223 
1 1 1 -15 -20 36 o 19.797  3.4134  60.261    18.356    79.818    26.492    42.199    25.459    23.032  4.4554  16.562  5.1725  6.470301       6.826836 
1 1 1 -15 -20 37 o 40.556  2.4505  235.520   26.242    210.487   36.811    261.389   37.421    38.218  3.6400  42.894  3.2819  -4.676254      4.901093 
1 1 1 -15 -20 38 o 14.194  3.5385  28.757    17.291    38.119    23.373    17.441    25.697    15.718  4.9632  12.670  5.0449  3.048099       7.077091 
1 1 1 -15 -20 39 o 26.323  3.1388  105.312   21.261    118.228   30.373    92.902    29.771    28.121  4.1577  24.524  4.7033  3.596882       6.277593 
1 1 1 -15 -20 40 o 24.737  3.4643  96.563    22.141    96.645    31.417    96.482    31.208    24.736  4.9151  24.738  4.8832  -0.2258301E-02 6.928500 
1 1 1 -15 -20 41 o 26.635  3.4043  112.530   23.379    109.674   32.382    115.639   33.787    26.312  4.7704  26.957  4.8581  -0.6453247     6.808654 
1 1 1 -15 -20 42 o 16.640  3.9884  45.031    22.395    23.460    30.290    71.042    33.261    13.366  5.4229  19.914  5.8499  -6.548545      7.976814 
1 1 1 -15 -19 1  o 41.153  1.9475  229.891   21.341    227.225   30.175    232.559   30.188    40.910  2.7701  41.396  2.7381  -0.4859505     3.894901 
1 1 1 -15 -19 2  o 126.643 2.8247  2187.44   95.814    2210.65   136.259   2164.75   134.758   127.307 3.9960  125.979 3.9936  1.327049       5.649500 
1 1 1 -15 -19 3  o 55.685  1.9714  419.522   29.345    412.052   41.711    426.841   41.291    55.151  2.8332  56.219  2.7421  -1.068550      3.942853 
1 1 1 -15 -19 4  o 60.509  2.8665  494.714   46.458    494.714   46.458    0.0000    0.0000    60.509  2.8665  ?       ?       ?              ?        
1 1 1 -15 -19 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -19 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -19 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -19 8  o 39.613  3.6125  214.529   37.908    0.0000    0.0000    214.529   37.908    ?       ?       39.613  3.6125  ?              ?        
1 1 1 -15 -19 9  o 29.068  3.6098  116.266   27.500    0.0000    0.0000    116.266   27.500    ?       ?       29.068  3.6098  ?              ?        
1 1 1 -15 -19 10 o 12.320  3.9876  20.042    15.016    0.0000    0.0000    20.042    15.016    ?       ?       12.320  3.9876  ?              ?        
1 1 1 -15 -19 11 o 91.190  2.9046  1113.84   65.743    1185.09   118.678   1082.29   78.966    92.946  4.7833  89.434  3.2964  3.511230       5.809181 
1 1 1 -15 -19 12 o 21.891  3.2794  66.226    18.637    0.0000    0.0000    66.226    18.637    ?       ?       21.891  3.2794  ?              ?        
1 1 1 -15 -19 13 o 49.229  3.6409  330.421   47.667    0.0000    0.0000    330.421   47.667    ?       ?       49.229  3.6409  ?              ?        
1 1 1 -15 -19 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -19 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -19 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -19 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -19 18 o 72.961  2.0916  719.606   40.872    714.673   57.430    724.668   58.181    72.710  2.9489  73.212  2.9670  -0.5024796     4.183131 
1 1 1 -15 -19 19 o 34.659  2.0253  163.417   18.610    173.836   26.544    153.343   26.099    35.766  2.7929  33.552  2.9336  2.213966       4.050516 
1 1 1 -15 -19 20 o 66.535  2.0326  598.573   36.222    597.433   51.401    599.697   51.052    66.469  2.8871  66.601  2.8618  -0.1314163     4.065149 
1 1 1 -15 -19 21 o 32.128  2.0969  141.101   17.724    122.828   24.816    160.126   25.323    29.948  3.1405  34.309  2.7795  -4.360527      4.193827 
1 1 1 -15 -19 22 o 13.322  2.7504  21.909    11.981    2.6621    16.844    41.621    17.046    9.4986  3.9673  17.146  3.8105  -7.647605      5.500853 
1 1 1 -15 -19 23 o 41.432  1.9735  233.230   21.764    235.534   31.301    231.073   30.281    41.623  2.8243  41.240  2.7572  0.3832932      3.947000 
1 1 1 -15 -19 24 o 82.469  2.2402  923.810   49.475    918.976   70.513    928.497   69.437    82.244  3.2009  82.693  3.1349  -0.4490051     4.480350 
1 1 1 -15 -19 25 o 44.512  2.0060  269.869   23.756    263.522   34.270    275.741   32.961    43.983  2.9256  45.040  2.7453  -1.057034      4.011998 
1 1 1 -15 -19 26 o 60.407  2.0314  495.533   32.841    485.317   47.113    505.189   45.802    59.782  2.9423  61.033  2.8018  -1.250858      4.062897 
1 1 1 -15 -19 27 o 27.386  2.4378  103.747   17.386    118.187   25.271    90.771    23.957    29.260  3.2810  25.512  3.6064  3.748407       4.875566 
1 1 1 -15 -19 28 o 34.265  2.2056  162.312   19.857    142.152   28.312    181.828   27.857    32.077  3.3444  36.452  2.8765  -4.375477      4.411265 
1 1 1 -15 -19 29 o 22.772  2.7366  73.422    16.091    73.132    22.958    73.701    22.561    22.713  3.9150  22.830  3.8247  -0.1168842     5.473120 
1 1 1 -15 -19 30 o 51.496  2.0998  363.433   28.830    367.443   41.378    359.650   40.192    51.762  2.9973  51.230  2.9414  0.5315132      4.199500 
1 1 1 -15 -19 31 o 15.000  3.2989  30.849    15.681    14.335    22.605    46.170    21.772    12.233  4.7741  17.767  4.5541  -5.533122      6.597884 
1 1 1 -15 -19 32 o 38.426  2.2565  205.114   22.967    198.311   33.157    211.387   31.842    37.759  3.3120  39.094  3.0655  -1.335251      4.512924 
1 1 1 -15 -19 33 o 17.221  3.0976  43.067    16.417    73.538    22.934    11.041    23.511    22.597  3.9319  11.845  4.7875  10.75232       6.195161 
1 1 1 -15 -19 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -19 35 o 17.873  3.4726  48.603    17.144    46.709    24.707    50.362    23.808    17.525  5.0114  18.221  4.8083  -0.6961079     6.945115 
1 1 1 -15 -19 36 o 13.417  2.8801  18.484    15.204    51.432    20.528    -21.5474  22.627    18.539  4.2277  8.2957  3.9124  10.24333       5.760204 
1 1 1 -15 -19 37 o 24.303  3.1654  88.663    19.826    84.431    27.273    93.406    28.872    23.684  4.4629  24.923  4.4902  -1.239485      6.330814 
1 1 1 -15 -19 38 o 14.462  3.5586  29.586    17.008    22.126    22.940    38.692    25.345    13.050  4.8774  15.873  5.1833  -2.822683      7.117252 
1 1 1 -15 -19 39 o 31.881  2.8338  150.139   23.595    160.160   33.265    139.992   33.472    33.093  3.8233  30.670  4.1837  2.422960       5.667547 
1 1 1 -15 -19 40 o 15.298  3.3487  29.822    19.625    67.213    26.402    -16.3426  29.336    20.649  4.8553  9.9468  4.6130  10.70200       6.697317 
1 1 1 -15 -19 41 o 15.887  3.6713  39.373    19.550    58.636    26.765    17.339    28.624    18.965  5.1404  12.809  5.2430  6.155852       7.342581 
1 1 1 -15 -19 42 o 11.641  3.4476  10.843    18.533    19.958    24.170    -2.1649   28.873    12.514  4.9212  10.768  4.8297  1.746796       6.895218 
1 1 1 -15 -19 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -18 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -18 2  o 43.220  2.5962  262.642   26.621    238.028   48.881    273.021   31.742    41.522  4.4653  44.917  2.6501  -3.394943      5.192442 
1 1 1 -15 -18 3  o 62.417  1.9855  525.687   33.192    524.756   47.166    526.600   46.720    62.360  2.8238  62.474  2.7920  -0.1147614     3.971004 
1 1 1 -15 -18 4  o 35.347  1.9603  169.524   18.392    178.889   26.170    160.384   25.854    36.327  2.7090  34.366  2.8341  1.961624       3.920538 
1 1 1 -15 -18 5  o 32.537  2.0027  144.288   17.196    129.740   24.397    158.651   24.241    30.863  2.9886  34.210  2.6666  -3.347113      4.005338 
1 1 1 -15 -18 6  o 107.130 2.5062  1553.31   71.912    1560.38   102.204   1546.37   101.201   107.368 3.5539  106.891 3.5347  0.4768219      5.012432 
1 1 1 -15 -18 7  o 39.360  1.9387  209.800   20.303    211.705   28.384    207.804   29.052    39.551  2.6954  39.169  2.7874  0.3819008      3.877426 
1 1 1 -15 -18 8  o 28.266  2.0741  109.679   15.297    125.690   21.506    93.283    21.762    30.434  2.6650  26.098  3.1788  4.335840       4.148134 
1 1 1 -15 -18 9  o 14.713  2.6280  30.543    10.417    26.005    14.944    34.833    14.529    13.682  3.8923  15.744  3.5322  -2.062064      5.256030 
1 1 1 -15 -18 10 o 25.084  2.2046  86.403    14.311    71.516    19.934    102.236   20.557    22.769  3.3705  27.399  2.8426  -4.630341      4.409144 
1 1 1 -15 -18 11 o 54.200  1.9277  396.280   27.915    398.349   38.826    394.067   40.164    54.389  2.6652  54.011  2.7858  0.3773003      3.855372 
1 1 1 -15 -18 12 o 28.007  2.0896  106.932   15.408    99.148    21.610    114.981   21.976    26.943  3.0481  29.071  2.8593  -2.127787      4.179250 
1 1 1 -15 -18 13 o 53.990  1.9300  394.698   27.738    425.153   38.708    362.553   39.768    56.197  2.5716  51.783  2.8786  4.414322       3.859964 
1 1 1 -15 -18 14 o 112.519 2.5519  1713.15   76.906    1699.66   108.130   1726.97   109.405   112.072 3.6021  112.965 3.6158  -0.8924866     5.103836 
1 1 1 -15 -18 15 o 83.776  2.1635  946.804   48.523    905.267   67.934    990.067   69.331    81.893  3.0971  85.659  3.0218  -3.765945      4.326998 
1 1 1 -15 -18 16 o 48.601  1.8982  319.163   24.610    311.317   34.543    327.249   35.069    47.991  2.6983  49.212  2.6705  -1.221027      3.796341 
1 1 1 -15 -18 17 o 104.179 2.4728  1469.36   68.996    1483.83   97.258    1454.71   97.895    104.704 3.4679  103.653 3.5260  1.050888       4.945659 
1 1 1 -15 -18 18 o 69.281  2.0331  647.732   37.728    651.780   53.376    643.690   53.335    69.499  2.8674  69.063  2.8832  0.4355469      4.066294 
1 1 1 -15 -18 19 o 48.292  3.5396  317.749   45.466    0.0000    0.0000    317.749   45.466    ?       ?       48.292  3.5396  ?              ?        
1 1 1 -15 -18 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -18 21 o 81.480  3.0832  898.216   67.288    898.216   67.288    0.0000    0.0000    81.480  3.0832  ?       ?       ?              ?        
1 1 1 -15 -18 22 o 42.204  1.9493  242.014   21.874    229.796   31.290    253.693   30.590    41.136  2.8576  43.272  2.6521  -2.135429      3.898625 
1 1 1 -15 -18 23 o 16.059  2.7856  37.875    12.837    15.637    19.111    56.157    17.328    12.031  4.4605  20.086  3.3378  -8.055328      5.571138 
1 1 1 -15 -18 24 o 48.831  1.9780  323.161   25.743    332.606   37.308    314.578   35.566    49.507  2.8251  48.155  2.7691  1.352306       3.955906 
1 1 1 -15 -18 25 o 74.674  2.1476  756.078   42.945    755.204   61.401    756.914   60.087    74.622  3.0720  74.727  3.0020  -0.1055450     4.295263 
1 1 1 -15 -18 26 o 43.360  2.0011  255.527   23.086    272.966   33.127    239.062   32.189    44.816  2.7733  41.904  2.8855  2.912472       4.002166 
1 1 1 -15 -18 27 o 27.442  2.3079  103.808   16.612    110.242   23.824    97.720    23.174    28.295  3.1997  26.589  3.3268  1.706459       4.615819 
1 1 1 -15 -18 28 o 34.953  2.1488  167.866   19.845    155.539   28.416    179.603   27.727    33.648  3.1911  36.259  2.8786  -2.610542      4.297588 
1 1 1 -15 -18 29 o 50.628  2.1019  351.057   28.275    321.900   40.312    379.293   39.671    48.496  3.1199  52.760  2.8174  -4.263195      4.203805 
1 1 1 -15 -18 30 o 43.544  2.1333  259.716   24.722    267.022   35.373    252.740   34.565    44.147  3.0094  42.940  3.0246  1.207016       4.266630 
1 1 1 -15 -18 31 f 21.110  2.8680  66.155    15.532    36.057    21.947    96.359    21.985    15.877  4.7736  26.344  3.1802  -10.46697      5.735946 
1 1 1 -15 -18 32 o 28.675  2.5246  115.861   18.804    129.744   26.418    101.605   26.771    30.546  3.2803  26.803  3.8385  3.743334       5.049221 
1 1 1 -15 -18 33 o 50.973  2.1951  358.741   29.821    369.760   42.499    348.054   41.854    51.759  3.0795  50.187  3.1291  1.571209       4.390292 
1 1 1 -15 -18 34 o 22.554  3.2124  75.597    18.769    101.801   26.945    50.898    26.160    26.689  3.8832  18.419  5.1185  8.269718       6.424833 
1 1 1 -15 -18 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -18 36 o 48.057  2.3411  324.552   29.943    330.408   42.965    319.021   41.752    48.467  3.3299  47.647  3.2917  0.8198700      4.682245 
1 1 1 -15 -18 37 o 10.889  3.1247  -0.5054   16.598    25.554    22.712    -30.3781  24.317    13.674  4.8934  8.1040  3.8871  5.570261       6.249362 
1 1 1 -15 -18 38 o 22.867  3.3480  80.073    19.824    81.094    27.666    78.995    28.421    23.076  4.6369  22.657  4.8307  0.4190674      6.696043 
1 1 1 -15 -18 39 o 15.133  3.3831  27.911    17.808    0.4397    23.921    62.066    26.673    10.408  4.5436  19.859  5.0137  -9.450785      6.766155 
1 1 1 -15 -18 40 o 22.173  3.5807  77.736    20.797    77.169    29.175    78.321    29.654    22.105  5.0395  22.242  5.0880  -0.1371403     7.161312 
1 1 1 -15 -18 41 o 17.551  3.4406  41.991    20.971    -2.9024   28.846    92.317    30.542    10.874  4.8560  24.227  4.8754  -13.35252      6.881148 
1 1 1 -15 -18 42 o 12.280  3.2180  9.5880    17.493    42.273    24.106    -26.7674  25.424    16.162  5.0310  8.3986  4.0140  7.763471       6.436042 
1 1 1 -15 -18 43 o 11.025  3.4412  2.4012    19.771    -1.9067   26.422    7.8819    29.802    10.327  4.6269  11.723  5.0951  -1.396131      6.882464 
1 1 1 -15 -17 1  o 63.490  1.9885  543.721   33.803    528.538   47.914    558.767   47.696    62.600  2.8576  64.380  2.7660  -1.779579      3.976977 
1 1 1 -15 -17 2  o 86.238  2.2464  1004.06   51.885    1022.32   73.808    986.228   72.954    87.015  3.1668  85.461  3.1871  1.554291       4.492889 
1 1 1 -15 -17 3  o 28.044  1.9794  106.989   14.656    112.623   20.879    101.515   20.579    28.788  2.7408  27.300  2.8566  1.487732       3.958835 
1 1 1 -15 -17 4  o 108.240 2.5435  1584.00   73.733    1571.40   104.774   1596.37   103.781   107.804 3.6285  108.675 3.5653  -0.8711090     5.086998 
1 1 1 -15 -17 5  o 65.649  2.0200  580.754   35.497    557.708   50.279    603.656   50.121    64.342  2.9175  66.956  2.7948  -2.614258      4.040090 
1 1 1 -15 -17 6  o 62.869  1.9557  532.245   32.915    551.053   46.496    513.350   46.603    63.989  2.7129  61.749  2.8177  2.239693       3.911375 
1 1 1 -15 -17 7  o 62.861  1.9811  532.697   33.282    572.101   47.012    493.102   47.125    65.207  2.6917  60.514  2.9074  4.692673       3.962109 
1 1 1 -15 -17 8  o 14.844  2.8091  30.815    11.389    31.529    16.278    30.129    15.940    15.005  3.9836  14.682  3.9618  0.3236017      5.618218 
1 1 1 -15 -17 9  o 127.252 2.7483  2189.62   93.615    2281.73   132.506   2097.83   132.277   129.948 3.8069  124.555 3.9649  5.393471       5.496663 
1 1 1 -15 -17 10 o 55.875  1.9252  420.177   28.735    395.122   40.056    446.743   41.245    54.120  2.7725  57.631  2.6720  -3.510689      3.850486 
1 1 1 -15 -17 11 o 103.335 2.3996  1440.14   66.412    1444.69   93.536    1435.51   94.310    103.504 3.3739  103.166 3.4130  0.3377686      4.799135 
1 1 1 -15 -17 12 o 85.142  2.1565  976.231   49.174    962.919   69.000    989.970   70.099    84.553  3.0467  85.732  3.0527  -1.178467      4.312917 
1 1 1 -15 -17 13 o 73.310  2.0505  723.579   40.249    724.636   56.173    722.463   57.699    73.371  2.8583  73.250  2.9409  0.1210022      4.101054 
1 1 1 -15 -17 14 o 44.804  1.8674  271.127   22.291    275.575   31.056    266.399   32.015    45.193  2.5762  44.415  2.7040  0.7781029      3.734789 
1 1 1 -15 -17 15 o 86.130  2.1954  999.623   50.627    961.207   71.037    1039.28   72.172    84.443  3.1407  87.818  3.0683  -3.375336      4.390756 
1 1 1 -15 -17 16 o 27.644  2.0521  104.138   14.925    113.071   21.230    95.411    20.986    28.848  2.7820  26.440  3.0174  2.408194       4.104228 
1 1 1 -15 -17 17 o 88.415  2.2230  1054.41   52.645    1050.86   74.368    1057.98   74.534    88.265  3.1456  88.565  3.1420  -0.2994919     4.446002 
1 1 1 -15 -17 18 o 107.768 2.4726  1570.03   71.367    1595.60   100.990   1544.52   100.866   108.652 3.4702  106.884 3.5233  1.768272       4.945242 
1 1 1 -15 -17 19 o 116.703 2.6430  1844.76   82.617    1835.95   116.909   1853.55   116.766   116.421 3.7491  116.985 3.7265  -0.5646744     5.286071 
1 1 1 -15 -17 20 o 49.383  1.8968  329.233   24.974    348.633   35.923    311.086   34.743    50.799  2.6493  47.967  2.7153  2.831779       3.793652 
1 1 1 -15 -17 21 o 52.095  1.9212  366.765   26.705    372.617   38.384    361.276   37.179    52.494  2.7394  51.695  2.6944  0.7991180      3.842418 
1 1 1 -15 -17 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -17 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -17 24 o 37.041  1.9968  186.745   19.607    182.290   28.592    190.698   26.938    36.598  2.9416  37.484  2.7012  -0.8856926     3.993670 
1 1 1 -15 -17 25 o 75.854  2.1340  778.911   43.350    798.867   61.904    759.708   60.725    76.810  3.0089  74.898  3.0269  1.911102       4.268034 
1 1 1 -15 -17 26 o 19.884  2.7486  56.608    14.049    44.728    20.272    67.586    19.487    17.717  4.3125  22.052  3.4092  -4.334934      5.497292 
1 1 1 -15 -17 27 o 50.741  2.0529  351.035   27.685    322.020   39.486    379.089   38.827    48.628  3.0469  52.854  2.7521  -4.225796      4.105843 
1 1 1 -15 -17 28 o 54.724  2.0763  408.315   30.253    379.289   43.472    435.572   42.127    52.750  3.0903  56.699  2.7739  -3.949432      4.152655 
1 1 1 -15 -17 29 o 38.316  2.1536  200.668   21.902    204.884   31.751    196.841   30.251    38.690  3.0896  37.942  3.0011  0.7484131      4.307244 
1 1 1 -15 -17 30 o 22.363  2.7026  70.518    15.604    72.526    22.219    68.564    21.919    22.693  3.7890  22.032  3.8547  0.6608715      5.405139 
1 1 1 -15 -17 31 o 23.308  2.7400  77.148    16.383    89.644    23.264    64.854    23.076    25.329  3.5246  21.288  4.1962  4.041409       5.480056 
1 1 1 -15 -17 32 f 64.825  2.2047  575.422   38.275    571.261   54.481    579.478   53.785    64.579  3.1496  65.071  3.0859  -0.4918671     4.409417 
1 1 1 -15 -17 33 o 40.914  2.3099  232.362   25.016    215.590   35.793    248.379   34.978    39.392  3.4265  42.436  3.0988  -3.043747      4.619859 
1 1 1 -15 -17 34 f 17.179  3.3161  43.351    15.852    51.722    22.576    35.208    22.264    18.740  4.5445  15.618  4.8305  3.121951       6.632188 
1 1 1 -15 -17 35 o 45.834  3.3736  293.399   41.125    0.0000    0.0000    293.399   41.125    ?       ?       45.834  3.3736  ?              ?        
1 1 1 -15 -17 36 o 49.137  3.3292  338.296   43.557    338.296   43.557    0.0000    0.0000    49.137  3.3292  ?       ?       ?              ?        
1 1 1 -15 -17 37 o 9.7921  2.9492  -0.7254   14.328    11.889    19.754    -14.7275  20.812    11.189  4.4333  8.3956  3.8907  2.793046       5.898447 
1 1 1 -15 -17 38 o 36.444  2.6150  190.855   25.154    196.249   36.434    185.943   34.770    36.913  3.7364  35.974  3.6594  0.9393425      5.229937 
1 1 1 -15 -17 39 o 31.245  2.9292  144.836   23.655    125.562   33.623    163.727   33.287    28.906  4.4882  33.583  3.7653  -4.677204      5.858461 
1 1 1 -15 -17 40 o 7.4508  2.5344  -31.6365  14.492    -45.7237  18.953    -11.8086  22.485    5.9593  2.9694  8.9424  4.1080  -2.983047      5.068841 
1 1 1 -15 -17 41 o 17.490  3.5828  48.655    20.579    77.467    27.641    12.823    30.825    22.272  4.7768  12.708  5.3412  9.563837       7.165656 
1 1 1 -15 -17 42 o 11.795  3.3717  8.1259    18.272    30.133    25.223    -16.1772  26.506    14.235  5.1490  9.3557  4.3544  4.878845       6.743364 
1 1 1 -15 -17 43 o 16.951  3.9795  48.668    21.069    45.607    28.858    52.162    30.831    16.479  5.5362  17.423  5.7182  -0.9435215     7.959089 
1 1 1 -15 -17 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -16 1  o 91.787  2.2872  1137.87   56.137    1066.95   79.627    1207.96   79.154    88.917  3.3434  94.657  3.1220  -5.739403      4.574387 
1 1 1 -15 -16 2  o 65.425  2.0062  576.107   35.145    596.730   50.037    556.025   49.375    66.585  2.8056  64.266  2.8683  2.318344       4.012331 
1 1 1 -15 -16 3  o 42.426  1.8664  242.982   21.104    244.361   29.880    241.610   29.811    42.547  2.6349  42.305  2.6441  0.2421227      3.732807 
1 1 1 -15 -16 4  o 157.002 3.2471  3341.00   136.435   3517.67   193.834   3167.53   192.074   161.157 4.4905  152.848 4.6916  8.309235       6.494269 
1 1 1 -15 -16 5  o 43.776  1.8692  258.548   21.813    260.945   30.775    256.127   30.921    43.983  2.6242  43.569  2.6625  0.4140091      3.738359 
1 1 1 -15 -16 6  o 54.393  1.9070  398.237   27.734    404.565   39.218    391.906   39.226    54.862  2.6688  53.925  2.7246  0.9373207      3.813938 
1 1 1 -15 -16 7  o 103.935 2.4215  1455.25   67.402    1482.78   95.356    1427.77   95.286    104.923 3.3930  102.947 3.4556  1.975716       4.842948 
1 1 1 -15 -16 8  o 63.859  1.9783  548.012   33.808    516.530   47.315    580.849   48.323    61.982  2.8500  65.737  2.7445  -3.755245      3.956602 
1 1 1 -15 -16 9  o 78.793  2.1079  835.114   44.477    844.366   62.523    825.635   63.284    79.238  2.9459  78.347  3.0157  0.8916016      4.215765 
1 1 1 -15 -16 10 o 87.611  2.1816  1032.87   51.182    1048.46   71.965    1016.91   72.808    88.286  3.0433  86.937  3.1267  1.349243       4.363237 
1 1 1 -15 -16 11 o 94.536  2.2586  1202.49   57.186    1183.58   80.254    1221.98   81.506    93.781  3.1950  95.290  3.1934  -1.509193      4.517231 
1 1 1 -15 -16 12 o 117.640 2.6070  1865.26   82.129    1812.70   115.407   1919.18   116.904   115.955 3.7158  119.325 3.6577  -3.369453      5.214043 
1 1 1 -15 -16 13 o 15.888  2.5622  36.324    11.204    54.206    15.602    17.287    16.099    19.849  3.0307  11.927  4.1320  7.922369       5.124320 
1 1 1 -15 -16 14 o 10.401  2.6667  11.875    9.6236    9.4294    13.605    14.324    13.615    9.8928  3.7436  10.909  3.7987  -1.016548      5.333375 
1 1 1 -15 -16 15 o 31.926  1.9436  138.276   16.425    145.926   23.056    130.391   23.406    32.844  2.6432  31.007  2.8502  1.836666       3.887136 
1 1 1 -15 -16 16 o 49.514  1.8555  330.499   24.519    329.546   34.705    331.449   34.647    49.442  2.6301  49.586  2.6179  -0.1444626     3.710917 
1 1 1 -15 -16 17 o 40.747  1.9064  224.799   20.581    198.123   28.956    252.030   29.257    38.268  2.8454  43.226  2.5381  -4.957733      3.812875 
1 1 1 -15 -16 18 o 54.219  1.8701  395.366   27.157    399.336   38.683    391.509   38.135    54.487  2.6506  53.951  2.6390  0.5356216      3.740288 
1 1 1 -15 -16 19 o 70.178  2.0116  663.061   37.807    668.149   53.977    658.161   52.972    70.440  2.8609  69.916  2.8287  0.5241928      4.023199 
1 1 1 -15 -16 20 o 112.108 2.5552  1698.95   76.721    1730.03   109.035   1668.47   107.972   113.128 3.5984  111.088 3.6287  2.039566       5.110365 
1 1 1 -15 -16 21 o 25.722  2.1412  90.070    14.437    96.786    21.266    84.330    19.661    26.618  3.0373  24.826  3.0190  1.791765       4.282422 
1 1 1 -15 -16 22 o 16.971  2.7498  40.641    12.209    39.908    17.938    41.274    16.664    16.815  4.0345  17.128  3.7373  -0.3136597     5.499502 
1 1 1 -15 -16 23 o 81.572  2.1861  899.479   47.740    883.321   68.186    915.017   66.863    80.840  3.1490  82.305  3.0330  -1.464943      4.372122 
1 1 1 -15 -16 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -16 25 o 62.037  2.7266  530.801   40.862    538.872   48.733    511.690   74.991    63.143  2.8814  60.930  4.6297  2.213177       5.453114 
1 1 1 -15 -16 26 o 101.918 2.4708  1411.48   67.445    1406.54   95.765    1416.34   95.003    101.732 3.5145  102.103 3.4738  -0.3711624     4.941574 
1 1 1 -15 -16 27 o 47.660  2.0356  308.108   25.846    320.207   37.421    297.071   35.741    48.554  2.8905  46.766  2.8671  1.787788       4.071299 
1 1 1 -15 -16 28 o 21.715  2.7352  66.104    15.307    71.793    22.230    60.975    21.107    22.638  3.8009  20.792  3.9342  1.845919       5.470347 
1 1 1 -15 -16 29 o 38.019  2.1289  196.961   21.474    206.329   31.351    188.681   29.474    38.868  3.0355  37.170  2.9857  1.697556       4.257777 
1 1 1 -15 -16 30 o 39.344  2.1655  212.059   22.589    206.222   32.758    217.350   31.191    38.792  3.1807  39.896  2.9395  -1.104092      4.331002 
1 1 1 -15 -16 31 o 17.357  3.1965  43.366    15.007    44.925    21.500    41.885    20.957    17.654  4.5257  17.061  4.5155  0.5926533      6.393054 
1 1 1 -15 -16 32 o 23.763  2.8810  81.960    17.164    51.313    23.936    114.405   24.627    18.784  4.7534  28.741  3.2565  -9.957293      5.761938 
1 1 1 -15 -16 33 o 48.050  2.2124  317.469   28.314    325.327   40.411    309.891   39.682    48.640  3.1182  47.460  3.1394  1.180885       4.424814 
1 1 1 -15 -16 34 o 26.795  2.8832  102.330   20.016    103.064   29.051    101.667   27.618    26.850  4.1752  26.739  3.9772  0.1106892      5.766329 
1 1 1 -15 -16 35 o 35.798  2.4516  179.398   23.204    180.339   32.452    178.414   33.192    35.918  3.4143  35.678  3.5191  0.2396049      4.903195 
1 1 1 -15 -16 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -16 37 o 29.249  2.9517  124.308   22.446    117.468   31.251    131.596   32.260    28.369  4.2430  30.129  4.1044  -1.759756      5.903342 
1 1 1 -15 -16 38 o 12.731  3.3158  9.7606    17.131    -15.2821  22.778    42.376    25.994    8.8043  4.0767  16.657  5.2307  -7.852953      6.631665 
1 1 1 -15 -16 39 o 15.552  3.5722  35.905    18.048    50.762    24.779    19.117    26.340    18.059  4.9674  13.045  5.1349  5.014265       7.144403 
1 1 1 -15 -16 40 o 9.1125  2.8675  -8.9889   15.348    7.5872    19.083    -39.3538  25.828    10.334  4.2614  7.8909  3.8380  2.443248       5.734923 
1 1 1 -15 -16 41 o 19.862  3.4334  64.285    20.459    101.209   28.113    22.713    29.830    25.982  4.1815  13.741  5.4468  12.24189       6.866762 
1 1 1 -15 -16 42 o 14.324  3.7870  29.364    19.536    30.096    26.552    28.500    28.848    14.361  5.2694  14.287  5.4405  0.7349777E-01  7.573964 
1 1 1 -15 -16 43 o 19.955  4.2293  69.442    24.132    69.579    30.921    69.227    38.595    20.294  5.5354  19.617  6.3958  0.6770267      8.458559 
1 1 1 -15 -16 44 o 21.022  3.2776  65.010    16.844    92.262    31.081    53.677    20.043    23.581  5.0715  18.463  4.1535  5.118139       6.555294 
1 1 1 -15 -15 1  o 109.767 2.5010  1625.56   73.463    1551.99   104.264   1698.10   103.525   107.280 3.6285  112.255 3.4431  -4.974640      5.002094 
1 1 1 -15 -15 2  o 126.189 2.7637  2148.36   93.410    2169.79   132.645   2127.27   131.564   126.814 3.9051  125.563 3.9119  1.250381       5.527451 
1 1 1 -15 -15 3  o 64.039  1.9573  551.168   33.571    548.682   47.591    553.630   47.364    63.894  2.7808  64.184  2.7551  -0.2895012     3.914514 
1 1 1 -15 -15 4  f 63.055  1.9636  534.305   33.160    544.044   46.891    524.563   46.900    63.632  2.7512  62.478  2.8025  1.153507       3.927264 
1 1 1 -15 -15 5  o 108.379 2.5319  1581.40   73.493    1610.01   104.221   1553.11   103.650   109.358 3.5581  107.401 3.6031  1.956902       5.063801 
1 1 1 -15 -15 6  o 102.147 2.9997  1411.10   76.876    1418.07   93.719    1396.78   134.406   102.663 3.4082  101.632 4.9374  1.031242       5.999499 
1 1 1 -15 -15 7  f 90.083  2.2430  1091.18   54.114    1105.66   76.277    1076.51   76.783    90.688  3.1402  89.478  3.2038  1.210304       4.486086 
1 1 1 -15 -15 8  o 104.089 2.4321  1458.11   67.776    1505.97   95.674    1409.91   96.025    105.813 3.3757  102.366 3.5022  3.447113       4.864256 
1 1 1 -15 -15 9  o 109.504 2.4653  1613.40   72.302    1629.93   101.888   1596.63   102.616   110.073 3.4559  108.934 3.5169  1.138977       4.930690 
1 1 1 -15 -15 10 o 11.149  2.8431  12.847    11.254    5.1075    15.906    20.606    15.925    9.6956  3.9312  12.602  4.1084  -2.906400      5.686215 
1 1 1 -15 -15 11 o 84.080  2.1357  950.415   48.075    964.797   67.275    935.407   68.725    84.736  2.9641  83.425  3.0756  1.311195       4.271463 
1 1 1 -15 -15 12 o 74.172  2.0485  739.753   40.661    758.698   56.812    719.856   58.222    75.152  2.8223  73.191  2.9699  1.960968       4.097032 
1 1 1 -15 -15 13 o 43.771  1.8474  258.106   21.554    255.098   30.070    261.285   30.911    43.510  2.5920  44.032  2.6330  -0.5220947     3.694747 
1 1 1 -15 -15 14 o 116.974 2.6048  1842.65   81.609    1850.44   115.071   1834.76   115.757   117.226 3.6648  116.721 3.7026  0.5044861      5.209645 
1 1 1 -15 -15 15 o 97.478  2.3056  1278.26   60.196    1272.38   84.959    1284.18   85.302    97.253  3.2615  97.703  3.2596  -0.4499817     4.611136 
1 1 1 -15 -15 16 o 75.936  2.0475  775.154   41.643    785.334   58.931    765.001   58.852    76.436  2.8785  75.436  2.9127  0.9993057      4.095019 
1 1 1 -15 -15 17 o 142.955 3.0211  2760.57   115.679   2766.89   163.733   2754.27   163.458   143.119 4.2712  142.791 4.2738  0.3275452      6.042252 
1 1 1 -15 -15 18 o 122.750 2.6783  2032.55   88.042    2084.38   125.001   1981.53   124.026   124.311 3.7542  121.190 3.8208  3.121002       5.356547 
1 1 1 -15 -15 19 o 32.302  1.9857  141.530   16.963    139.402   24.802    143.399   23.252    32.057  2.9205  32.548  2.6914  -0.4904175     3.971486 
1 1 1 -15 -15 20 f 76.325  2.0885  784.604   42.676    768.170   60.870    800.491   59.848    75.531  3.0088  77.119  2.8973  -1.587723      4.176990 
1 1 1 -15 -15 21 o 60.615  1.9588  494.643   31.784    491.264   45.632    497.827   44.298    60.408  2.8202  60.822  2.7192  -0.4132881     3.917571 
1 1 1 -15 -15 22 o 52.776  1.9018  374.828   26.786    406.244   38.707    345.958   37.105    54.938  2.6304  50.614  2.7473  4.324753       3.803524 
1 1 1 -15 -15 23 o 45.407  1.9050  278.743   23.050    277.114   33.136    280.271   32.085    45.269  2.7457  45.544  2.6415  -0.2742538     3.810060 
1 1 1 -15 -15 24 o 57.801  2.0069  451.845   30.964    436.532   44.545    466.162   43.073    56.800  2.9380  58.802  2.7347  -2.002552      4.013814 
1 1 1 -15 -15 25 o 62.009  3.6917  523.646   61.038    0.0000    0.0000    523.646   61.038    ?       ?       62.009  3.6917  ?              ?        
1 1 1 -15 -15 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -15 27 o 55.042  2.0130  411.593   29.508    383.188   42.420    438.225   41.074    53.127  2.9933  56.958  2.6923  -3.831642      4.025932 
1 1 1 -15 -15 28 o 93.000  2.3969  1175.76   59.689    1149.14   84.669    1202.07   84.159    91.934  3.4384  94.067  3.3402  -2.133438      4.793747 
1 1 1 -15 -15 29 o 30.886  2.2879  130.965   18.644    133.146   26.468    128.817   26.267    31.147  3.2190  30.624  3.2521  0.5234127      4.575763 
1 1 1 -15 -15 30 o 41.451  2.2164  234.815   24.048    289.222   34.980    186.055   33.115    46.102  2.8467  36.801  3.3979  9.300983       4.432743 
1 1 1 -15 -15 31 o 51.669  2.1132  363.734   29.106    378.082   41.919    350.377   40.444    52.656  2.9844  50.681  2.9926  1.974686       4.226377 
1 1 1 -15 -15 32 o 31.670  2.4592  138.973   20.443    125.708   28.611    152.809   29.221    30.064  3.6263  33.277  3.3228  -3.213114      4.918417 
1 1 1 -15 -15 33 o 48.096  2.2529  318.235   28.815    308.711   41.483    327.114   40.055    47.357  3.2908  48.836  3.0779  -1.479065      4.505870 
1 1 1 -15 -15 34 o 18.763  3.2381  51.593    16.231    59.713    22.809    43.262    23.103    20.304  4.3265  17.221  4.8189  3.082243       6.476135 
1 1 1 -15 -15 35 o 57.288  2.3401  454.949   35.555    514.375   50.831    398.023   49.750    61.072  3.1178  53.505  3.4906  7.566990       4.680266 
1 1 1 -15 -15 36 o 16.368  3.0886  32.542    17.355    -6.2075   23.941    75.455    25.195    9.9816  4.4431  22.753  4.2914  -12.77174      6.177144 
1 1 1 -15 -15 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -15 38 o 34.496  2.7039  171.001   24.539    178.706   34.766    163.352   34.642    35.333  3.7299  33.658  3.9157  1.674885       5.407877 
1 1 1 -15 -15 39 o 11.721  3.3542  11.466    16.304    6.5116    21.775    17.788    24.597    10.759  4.5038  12.683  4.9716  -1.923305      6.708304 
1 1 1 -15 -15 40 o 16.701  3.6507  43.886    18.731    55.905    25.089    28.750    28.154    18.919  4.9088  14.483  5.4051  4.436790       7.301499 
1 1 1 -15 -15 41 o 12.715  3.4034  16.687    17.702    35.475    23.732    -6.8806   26.579    15.229  5.0177  10.201  4.5996  5.027628       6.806872 
1 1 1 -15 -15 42 o 8.9535  2.7645  0.3257    12.166    -12.7280  22.758    5.5486    14.396    8.8881  4.1012  9.0189  3.7080  -0.1308565     5.528910 
1 1 1 -15 -15 43 o 11.930  3.1830  8.8257    13.381    39.404    25.844    -2.3736   15.640    15.690  5.2393  8.1699  3.6161  7.520228       6.366027 
1 1 1 -15 -15 44 o 13.806  3.4669  24.342    15.105    45.980    28.074    15.527    17.919    16.487  5.4587  11.125  4.2756  5.361994       6.933858 
1 1 1 -15 -15 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -14 1  o 38.117  1.8871  196.104   19.144    198.869   27.074    193.339   27.072    38.389  2.6492  37.845  2.6882  0.5443764      3.774244 
1 1 1 -15 -14 2  o 152.577 3.1903  3141.84   130.345   3237.35   185.045   3047.77   183.633   154.892 4.4602  150.262 4.5626  4.629898       6.380525 
1 1 1 -15 -14 3  o 103.728 2.4245  1447.45   67.339    1412.28   95.527    1482.19   94.938    102.468 3.4806  104.988 3.3761  -2.519188      4.848939 
1 1 1 -15 -14 4  o 121.762 2.7210  1995.86   88.731    1968.86   125.872   2022.52   125.101   120.938 3.8858  122.587 3.8100  -1.649048      5.442034 
1 1 1 -15 -14 5  o 113.503 2.5570  1732.68   77.735    1753.46   110.212   1712.10   109.657   114.182 3.6037  112.824 3.6287  1.358116       5.114069 
1 1 1 -15 -14 6  o 74.916  2.0703  753.728   41.540    757.844   58.492    749.540   59.004    75.124  2.9069  74.708  2.9487  0.4156494      4.140596 
1 1 1 -15 -14 7  o 111.934 2.5490  1684.70   76.417    1661.05   107.873   1708.53   108.269   111.143 3.6236  112.725 3.5859  -1.582077      5.097942 
1 1 1 -15 -14 8  o 206.533 4.0222  5769.06   222.501   5724.39   314.526   5813.81   314.802   205.726 5.7079  207.341 5.6684  -1.614548      8.044348 
1 1 1 -15 -14 9  o 198.759 3.8829  5338.95   206.711   5306.82   292.051   5371.21   292.618   198.156 5.5025  199.362 5.4799  -1.206070      7.765731 
1 1 1 -15 -14 10 o 45.776  1.8612  282.062   22.699    280.537   31.346    283.744   32.913    45.650  2.5741  45.901  2.6888  -0.2504768     3.722328 
1 1 1 -15 -14 11 o 122.208 2.6386  2008.38   86.358    1963.82   121.411   2054.00   122.860   120.833 3.7513  123.582 3.7116  -2.748901      5.277173 
1 1 1 -15 -14 12 o 117.795 2.5835  1866.41   81.495    1894.08   114.698   1838.20   115.812   118.683 3.6081  116.907 3.6985  1.775986       5.166944 
1 1 1 -15 -14 13 o 187.420 3.7110  4746.34   186.272   4815.99   263.105   4676.35   263.752   188.813 5.2025  186.027 5.2934  2.785721       7.421936 
1 1 1 -15 -14 14 o 102.878 2.3603  1422.69   65.040    1411.47   91.814    1433.98   92.148    102.470 3.3452  103.286 3.3309  -0.8153458     4.720691 
1 1 1 -15 -14 15 o 100.001 2.3773  1344.81   63.653    1301.04   89.935    1388.75   90.104    98.364  3.4135  101.638 3.3098  -3.274017      4.754676 
1 1 1 -15 -14 16 o 54.381  1.8631  396.995   27.128    412.109   38.632    382.290   38.103    55.403  2.6033  53.358  2.6661  2.045284       3.726274 
1 1 1 -15 -14 17 o 103.231 2.3918  1433.61   66.130    1428.94   93.950    1438.20   93.098    103.061 3.4034  103.401 3.3615  -0.3394165     4.783574 
1 1 1 -15 -14 18 o 114.454 2.5803  1764.10   79.100    1772.67   112.473   1755.72   111.265   114.727 3.6601  114.181 3.6381  0.5457001      5.160661 
1 1 1 -15 -14 19 o 47.196  1.9113  300.894   23.999    289.029   34.737    311.730   33.196    46.288  2.8151  48.104  2.5859  -1.815838      3.822570 
1 1 1 -15 -14 20 o 149.892 3.1402  3038.90   126.058   3004.26   178.948   3073.02   177.606   149.030 4.4829  150.754 4.3985  -1.723679      6.280384 
1 1 1 -15 -14 21 o 40.704  1.8967  223.554   20.540    227.058   29.853    220.403   28.304    41.001  2.7341  40.406  2.6296  0.5950012      3.793389 
1 1 1 -15 -14 22 o 92.903  2.2673  1162.94   56.414    1184.83   80.432    1141.73   79.146    93.764  3.2026  92.042  3.2104  1.722549       4.534671 
1 1 1 -15 -14 23 o 28.181  2.2064  109.913   16.091    95.049    23.739    122.545   21.885    26.314  3.4513  30.048  2.7497  -3.734013      4.412791 
1 1 1 -15 -14 24 o 42.411  1.9665  243.447   22.194    241.100   32.000    245.623   30.807    42.203  2.8475  42.620  2.7128  -0.4165306     3.932927 
1 1 1 -15 -14 25 o 43.418  2.0233  258.095   23.082    214.952   33.044    299.208   32.257    39.774  3.1269  47.063  2.5686  -7.288940      4.046665 
1 1 1 -15 -14 26 o 26.242  3.4246  94.803    23.498    0.0000    0.0000    94.803    23.498    ?       ?       26.242  3.4246  ?              ?        
1 1 1 -15 -14 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -14 28 o 34.322  2.1642  160.571   19.664    171.148   28.294    150.689   27.349    35.433  3.0097  33.211  3.1107  2.221851       4.328414 
1 1 1 -15 -14 29 o 46.564  2.0960  294.420   25.978    313.660   37.473    276.618   36.045    48.041  2.9261  45.086  3.0019  2.954304       4.192097 
1 1 1 -15 -14 30 o 73.837  2.2417  740.185   44.312    774.000   63.428    707.946   61.932    75.494  3.1367  72.180  3.2034  3.314682       4.483382 
1 1 1 -15 -14 31 o 98.413  2.5128  1322.87   66.232    1341.34   93.839    1304.53   93.494    99.107  3.5350  97.719  3.5720  1.388916       5.025502 
1 1 1 -15 -14 32 o 45.942  2.2138  289.009   27.050    275.082   38.319    302.842   38.191    44.807  3.2142  47.077  3.0450  -2.270252      4.427558 
1 1 1 -15 -14 33 o 33.155  2.4251  152.043   21.129    170.050   30.397    135.208   29.390    35.120  3.2689  31.190  3.5832  3.930696       4.850203 
1 1 1 -15 -14 34 o 17.831  3.2980  46.199    15.986    40.683    22.339    51.988    22.887    16.763  4.7554  18.900  4.5710  -2.136242      6.596074 
1 1 1 -15 -14 35 o 30.114  2.6184  127.715   20.618    133.839   28.735    121.217   29.600    30.932  3.5316  29.296  3.8667  1.636387       5.236746 
1 1 1 -15 -14 36 o 50.244  2.3432  350.846   31.333    362.641   44.070    338.788   44.558    51.145  3.2336  49.344  3.3920  1.801147       4.686325 
1 1 1 -15 -14 37 o 24.029  4.9266  86.278    30.644    0.0000    0.0000    86.278    30.644    ?       ?       24.029  4.9266  ?              ?        
1 1 1 -15 -14 38 o 21.793  3.4979  70.960    19.974    57.262    26.716    88.321    30.076    19.339  5.0887  24.248  4.8007  -4.908663      6.995886 
1 1 1 -15 -14 39 o 37.791  2.9015  212.247   27.663    266.763   38.658    155.034   39.602    43.414  3.3503  32.168  4.7382  11.24672       5.803048 
1 1 1 -15 -14 40 f 11.018  3.0059  13.715    12.276    5.2149    22.603    17.271    14.619    10.722  4.5437  11.314  3.9366  -0.5910187     6.011782 
1 1 1 -15 -14 41 o 13.702  3.2141  25.794    12.962    34.377    23.361    21.976    15.580    15.050  4.9793  12.355  4.0654  2.694843       6.428144 
1 1 1 -15 -14 42 o 36.538  2.5153  195.095   23.126    186.833   38.312    199.830   29.006    35.464  4.1093  37.612  2.9017  -2.147350      5.030545 
1 1 1 -15 -14 43 o 24.352  3.1794  93.864    18.460    84.799    32.675    98.114    22.373    22.699  5.4443  26.005  3.2852  -3.306541      6.358736 
1 1 1 -15 -14 44 o 17.755  2.7697  58.646    16.682    -11.7131  28.811    94.132    20.461    10.016  4.6191  25.493  3.0576  -15.47689      5.539412 
1 1 1 -15 -14 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -13 1  o 97.147  2.3120  1268.23   60.157    1271.05   85.496    1265.48   84.660    97.252  3.2822  97.041  3.2571  0.2106781      4.623993 
1 1 1 -15 -13 2  o 180.425 3.6086  4394.36   174.371   4334.91   247.192   4453.24   246.007   179.197 5.1501  181.652 5.0561  -2.455261      7.217193 
1 1 1 -15 -13 3  o 66.273  1.9861  589.537   35.254    582.120   49.801    596.988   49.913    65.854  2.8233  66.692  2.7941  -0.8372803     3.972201 
1 1 1 -15 -13 4  o 141.902 2.9695  2710.18   112.839   2649.83   159.926   2770.01   159.232   140.320 4.2551  143.484 4.1432  -3.164932      5.939053 
1 1 1 -15 -13 5  o 174.426 3.5233  4100.91   164.598   4160.22   233.191   4042.03   232.365   175.689 4.9554  173.163 5.0098  2.525864       7.046579 
1 1 1 -15 -13 6  o 44.376  1.8797  265.580   22.200    277.908   31.049    252.684   31.756    45.444  2.5613  43.308  2.7518  2.135303       3.759318 
1 1 1 -15 -13 7  o 49.459  1.8725  329.321   24.686    333.864   34.239    324.402   35.626    49.822  2.5745  49.097  2.7197  0.7253304      3.745004 
1 1 1 -15 -13 8  o 36.375  1.9315  177.754   18.496    146.746   25.284    213.447   27.128    32.942  2.8950  39.809  2.5577  -6.866608      3.863002 
1 1 1 -15 -13 9  o 218.226 4.1831  6432.52   244.488   6332.01   345.263   6533.61   346.255   216.504 5.9538  219.948 5.8774  -3.443741      8.366122 
1 1 1 -15 -13 10 o 76.305  2.0437  781.896   41.737    798.479   58.287    764.445   59.793    77.140  2.8210  75.470  2.9579  1.669197       4.087464 
1 1 1 -15 -13 11 o 12.670  2.8031  21.148    10.648    17.267    14.865    25.238    15.261    11.762  3.9732  13.577  3.9552  -1.814952      5.606240 
1 1 1 -15 -13 12 o 93.781  2.2446  1180.69   56.374    1152.36   79.216    1209.75   80.244    92.641  3.1924  94.922  3.1561  -2.281433      4.489185 
1 1 1 -15 -13 13 o 104.811 2.3975  1475.63   67.297    1442.30   94.876    1509.39   95.471    103.617 3.4185  106.005 3.3625  -2.387764      4.795022 
1 1 1 -15 -13 14 o 147.880 3.0461  2943.69   120.651   2916.07   170.596   2971.33   170.658   147.183 4.3274  148.577 4.2883  -1.394791      6.092239 
1 1 1 -15 -13 15 o 165.730 3.3458  3702.50   148.497   3786.14   210.235   3619.22   209.779   167.609 4.6829  163.851 4.7800  3.757874       6.691627 
1 1 1 -15 -13 16 o 67.609  1.9673  614.154   35.594    593.077   50.790    634.496   49.898    66.464  2.8530  68.754  2.7095  -2.290070      3.934635 
1 1 1 -15 -13 17 o 35.738  1.9391  172.604   18.395    169.559   26.553    175.412   25.508    35.424  2.8220  36.051  2.6603  -0.6273384     3.878246 
1 1 1 -15 -13 18 o 173.602 3.4862  4071.50   162.080   4010.30   229.850   4132.02   228.585   172.289 4.9808  174.915 4.8790  -2.625977      6.972306 
1 1 1 -15 -13 19 o 96.301  2.3033  1247.03   59.399    1249.17   84.853    1244.98   83.179    96.378  3.2870  96.224  3.2273  0.1546249      4.606503 
1 1 1 -15 -13 20 o 117.003 2.6101  1844.00   81.790    1840.48   116.467   1847.43   114.885   116.888 3.7200  117.119 3.6622  -0.2310333     5.220213 
1 1 1 -15 -13 21 o 30.949  2.1099  129.828   17.238    132.529   25.302    127.489   23.550    31.241  3.0631  30.658  2.9024  0.5834236      4.219762 
1 1 1 -15 -13 22 o 14.377  2.8815  28.653    11.730    23.192    16.868    33.767    16.322    13.235  4.2203  15.518  3.9244  -2.282907      5.762998 
1 1 1 -15 -13 23 o 42.505  1.9617  244.021   22.179    245.095   32.265    243.059   30.539    42.584  2.8451  42.425  2.7015  0.1588058      3.923360 
1 1 1 -15 -13 24 f 121.885 2.7229  2010.00   88.861    1957.71   126.074   2061.63   125.266   120.289 3.9130  123.480 3.7874  -3.191101      5.445758 
1 1 1 -15 -13 25 o 86.076  2.2548  1000.09   51.977    993.524   73.969    1006.49   73.054    85.791  3.2190  86.362  3.1582  -0.5708389     4.509515 
1 1 1 -15 -13 26 o 29.735  2.2259  120.743   17.457    119.954   24.823    121.515   24.555    29.633  3.1770  29.837  3.1185  -0.2048054     4.451796 
1 1 1 -15 -13 27 o 40.510  2.8776  222.664   31.020    0.0000    0.0000    222.664   31.020    ?       ?       40.510  2.8776  ?              ?        
1 1 1 -15 -13 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -13 29 o 50.416  2.0979  345.126   28.155    372.466   40.288    319.027   39.363    52.393  2.8820  48.438  3.0495  3.954510       4.195879 
1 1 1 -15 -13 30 o 94.124  2.4462  1205.60   61.668    1192.18   87.130    1219.08   87.293    93.592  3.4757  94.657  3.4430  -1.064430      4.892321 
1 1 1 -15 -13 31 o 45.802  2.1712  286.265   26.465    277.172   37.638    295.158   37.221    45.061  3.1380  46.544  3.0016  -1.482288      4.342411 
1 1 1 -15 -13 32 o 30.775  2.4132  130.673   19.432    148.901   28.020    113.783   26.971    32.915  3.2194  28.635  3.5959  4.280279       4.826477 
1 1 1 -15 -13 33 o 79.345  2.3609  861.244   50.130    896.669   70.606    825.236   71.186    81.032  3.2531  77.657  3.4223  3.374596       4.721757 
1 1 1 -15 -13 34 o 43.892  2.2855  266.137   26.527    293.913   37.274    237.630   37.762    46.307  3.0217  41.477  3.4298  4.829910       4.571039 
1 1 1 -15 -13 35 o 15.465  3.4447  33.993    16.155    40.115    21.726    26.422    24.159    16.618  4.6811  14.312  5.0548  2.306032       6.889402 
1 1 1 -15 -13 36 o 23.060  3.2438  77.713    19.227    77.941    25.797    77.428    28.840    23.202  4.3097  22.919  4.8494  0.2827435      6.487686 
1 1 1 -15 -13 37 o 50.920  2.4529  362.383   33.248    360.869   46.489    363.968   47.567    50.832  3.4347  51.009  3.5028  -0.1769409     4.905798 
1 1 1 -15 -13 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -13 39 o 34.597  2.7109  185.995   22.035    128.385   35.934    220.711   27.895    29.278  4.7447  39.916  2.6237  -10.63831      5.421785 
1 1 1 -15 -13 40 o 9.3442  2.7880  1.1180    10.908    12.250    20.644    -3.1939   12.848    11.315  4.5166  7.3737  3.2699  3.941026       5.575984 
1 1 1 -15 -13 41 o 8.8779  2.7287  0.7159    11.607    -9.5508   21.625    4.8706    13.757    8.9578  4.0823  8.7981  3.6219  0.1596470      5.457433 
1 1 1 -15 -13 42 o 10.979  2.9312  14.700    11.907    0.9766    22.431    20.084    14.050    10.137  4.4131  11.821  3.8592  -1.683840      5.862450 
1 1 1 -15 -13 43 o 21.133  3.0894  58.191    16.672    117.424   29.874    31.399    20.092    27.949  4.1137  14.317  4.6104  13.63235       6.178837 
1 1 1 -15 -13 44 o 23.084  3.2327  84.284    18.352    82.111    31.412    85.411    22.613    22.225  5.3427  23.942  3.6409  -1.716879      6.465301 
1 1 1 -15 -13 45 o 28.757  3.0386  130.452   21.163    125.063   36.172    133.256   26.095    27.460  5.1059  30.054  3.2957  -2.594702      6.077158 
1 1 1 -15 -12 1  o 96.137  2.7188  1200.43   66.606    1114.77   81.158    1377.17   116.571   91.107  3.3258  101.167 4.3019  -10.06061      5.437571 
1 1 1 -15 -12 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 6  f 134.182 5.6901  2427.96   204.504   0.0000    0.0000    2427.96   204.504   ?       ?       134.182 5.6901  ?              ?        
1 1 1 -15 -12 7  o 128.502 5.4970  2225.56   189.200   0.0000    0.0000    2225.56   189.200   ?       ?       128.502 5.4970  ?              ?        
1 1 1 -15 -12 8  o 130.658 5.5471  2301.06   194.129   0.0000    0.0000    2301.06   194.129   ?       ?       130.658 5.5471  ?              ?        
1 1 1 -15 -12 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 13 o 40.770  2.4236  220.887   23.708    215.826   27.953    233.858   44.748    40.028  2.6217  41.512  4.0770  -1.484653      4.847241 
1 1 1 -15 -12 14 o 120.485 2.6160  1950.35   84.421    1949.90   119.515   1950.80   119.264   120.471 3.7038  120.500 3.6952  -0.2856445E-01 5.231901 
1 1 1 -15 -12 15 o 72.753  1.9869  710.363   38.707    703.895   55.239    716.602   54.254    72.426  2.8475  73.081  2.7717  -0.6546173     3.973712 
1 1 1 -15 -12 16 o 153.447 3.1335  3169.81   128.715   3309.67   182.754   3032.15   181.315   156.820 4.3509  150.074 4.5107  6.745972       6.267078 
1 1 1 -15 -12 17 o 193.358 3.8094  5047.41   197.288   5061.35   279.765   5033.61   278.256   193.622 5.3945  193.095 5.3800  0.5271912      7.618746 
1 1 1 -15 -12 18 o 49.722  1.9153  334.240   25.295    303.247   36.486    362.919   35.098    47.438  2.8852  52.007  2.5196  -4.568523      3.830547 
1 1 1 -15 -12 19 o 113.318 2.5389  1727.12   77.051    1722.73   109.798   1731.38   108.153   113.172 3.6222  113.464 3.5587  -0.2921371     5.077845 
1 1 1 -15 -12 20 o 125.795 2.7638  2130.96   93.117    2142.68   132.473   2119.52   130.917   126.135 3.9211  125.456 3.8960  0.6790237      5.527499 
1 1 1 -15 -12 21 o 119.382 2.6133  1919.03   83.536    1987.93   118.833   1851.71   117.455   121.508 3.6513  117.255 3.7398  4.252457       5.226648 
1 1 1 -15 -12 22 o 96.969  2.3710  1266.62   61.534    1220.23   87.511    1312.00   86.543    95.200  3.4319  98.738  3.2723  -3.538643      4.741960 
1 1 1 -15 -12 23 o 87.967  2.2634  1042.00   53.317    1029.65   75.940    1054.01   74.875    87.447  3.2422  88.487  3.1591  -1.040115      4.526762 
1 1 1 -15 -12 24 o 91.230  2.2936  1121.29   56.024    1164.53   79.818    1079.30   78.654    92.969  3.2053  89.490  3.2814  3.479591       4.587105 
1 1 1 -15 -12 25 o 92.422  2.3477  1152.68   58.105    1139.52   82.687    1165.51   81.669    91.893  3.3594  92.952  3.2803  -1.058189      4.695306 
1 1 1 -15 -12 26 o 26.071  2.3182  92.983    15.753    104.992   22.856    82.117    21.741    27.721  3.1333  24.421  3.4174  3.300152       4.636423 
1 1 1 -15 -12 27 o 44.708  2.0569  270.738   24.492    277.821   34.985    263.931   34.300    45.285  2.8995  44.130  2.9182  1.154697       4.113801 
1 1 1 -15 -12 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 29 o 36.111  3.1069  186.214   26.012    193.351   30.876    168.764   48.279    37.668  3.0875  34.555  5.3924  3.113106       6.213701 
1 1 1 -15 -12 30 o 101.640 2.5443  1406.48   69.265    1412.84   97.714    1400.06   98.198    101.879 3.5808  101.401 3.6155  0.4779129      5.088660 
1 1 1 -15 -12 31 o 33.609  2.3452  155.141   20.818    150.812   29.733    159.304   29.158    33.124  3.3994  34.094  3.2316  -0.9696922     4.690345 
1 1 1 -15 -12 32 f 23.772  2.8136  79.227    17.158    65.158    23.551    95.142    25.048    21.405  4.2576  26.139  3.6795  -4.734451      5.627228 
1 1 1 -15 -12 33 o 62.415  2.2480  532.618   37.433    560.959   52.449    503.194   53.443    64.197  3.0502  60.633  3.3032  3.563599       4.496092 
1 1 1 -15 -12 34 o 15.474  3.3669  33.242    15.535    25.328    21.595    41.731    22.365    13.937  4.7881  17.010  4.7347  -3.072970      6.733728 
1 1 1 -15 -12 35 f 14.332  3.0484  24.316    15.022    -1.9924   21.137    51.166    21.354    9.8720  4.2908  18.791  4.3314  -8.919109      6.096888 
1 1 1 -15 -12 36 o 51.250  2.3605  365.224   32.047    400.613   44.877    328.399   45.779    53.909  3.1213  48.591  3.5418  5.318111       4.720906 
1 1 1 -15 -12 37 o 30.260  2.4052  129.449   18.474    124.219   29.841    132.700   23.523    29.561  3.8611  30.960  2.8693  -1.399113      4.810477 
1 1 1 -15 -12 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -12 39 o 14.227  3.1471  29.602    12.957    27.591    22.398    30.614    15.884    14.050  4.8735  14.404  3.9833  -0.3537483     6.294286 
1 1 1 -15 -12 40 o 32.656  2.4938  154.018   20.436    147.937   33.867    157.499   25.627    31.794  4.0704  33.519  2.8825  -1.724926      4.987669 
1 1 1 -15 -12 41 o 18.352  3.2263  49.337    14.957    59.817    26.710    44.549    18.054    19.485  5.0694  17.219  3.9921  2.265745       6.452564 
1 1 1 -15 -12 42 o 9.7564  2.8451  6.4730    12.115    -4.0796   20.862    11.842    14.881    9.2864  4.1395  10.227  3.9043  -0.9401226     5.690295 
1 1 1 -15 -12 43 o 13.398  3.3465  24.122    14.324    33.970    24.829    19.208    17.537    14.900  5.1333  11.896  4.2949  3.003554       6.693032 
1 1 1 -15 -12 44 o 35.729  2.6306  186.754   23.957    197.643   39.547    180.441   30.111    36.128  4.1629  35.330  3.2172  0.7986946      5.261170 
1 1 1 -15 -12 45 f 11.520  3.2358  15.972    15.040    2.8746    26.970    21.883    18.119    10.829  4.7728  12.211  4.3705  -1.382710      6.471552 
1 1 1 -15 -11 1  o 124.689 2.6940  2088.77   89.971    2078.65   127.655   2098.75   126.825   124.387 3.8315  124.991 3.7882  -0.6044312     5.388073 
1 1 1 -15 -11 2  f 93.334  2.2848  1169.60   57.094    1134.88   80.956    1203.97   80.531    91.951  3.2870  94.716  3.1743  -2.764687      4.569555 
1 1 1 -15 -11 3  o 158.180 3.2357  3365.03   137.076   3433.11   194.378   3297.69   193.335   159.777 4.5420  156.584 4.6097  3.192902       6.471396 
1 1 1 -15 -11 4  o 98.277  2.3173  1296.35   60.992    1274.29   86.291    1318.36   86.220    97.440  3.3063  99.115  3.2478  -1.674294      4.634567 
1 1 1 -15 -11 5  o 76.757  2.0299  790.474   41.723    803.010   58.690    777.665   59.325    77.374  2.8319  76.140  2.9090  1.234070       4.059801 
1 1 1 -15 -11 6  o 74.753  2.0261  750.210   40.532    776.737   56.885    722.852   57.768    76.100  2.7908  73.407  2.9381  2.693016       4.052242 
1 1 1 -15 -11 7  o 130.034 2.7106  2270.96   94.402    2286.77   133.093   2254.96   133.919   130.492 3.8079  129.576 3.8586  0.9155426      5.421146 
1 1 1 -15 -11 8  o 128.854 2.7540  2229.98   95.045    2227.81   133.835   2232.19   135.002   128.792 3.8796  128.916 3.9097  -0.1235199     5.507937 
1 1 1 -15 -11 9  o 109.339 2.4450  1604.94   71.590    1618.53   100.535   1590.96   101.967   109.812 3.4181  108.867 3.4969  0.9446869      4.889904 
1 1 1 -15 -11 10 o 123.902 2.6470  2061.29   87.832    2014.72   123.617   2108.77   124.820   122.486 3.7679  125.317 3.7186  -2.831009      5.293912 
1 1 1 -15 -11 11 o 145.420 3.0036  2842.10   116.972   2778.04   165.070   2906.71   165.779   143.769 4.2866  147.071 4.2084  -3.301407      6.007112 
1 1 1 -15 -11 12 o 55.893  1.8092  419.057   27.075    431.203   38.220    406.823   38.359    56.707  2.5163  55.079  2.6001  1.628761       3.618327 
1 1 1 -15 -11 13 o 51.990  1.8030  363.060   25.055    354.533   35.626    371.404   35.242    51.351  2.5987  52.628  2.5001  -1.277378      3.606016 
1 1 1 -15 -11 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -11 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -11 16 o 39.215  1.8786  206.934   19.583    212.010   28.670    202.495   26.811    39.662  2.7151  38.768  2.5970  0.8937302      3.757144 
1 1 1 -15 -11 17 o 120.909 2.6730  1965.40   86.530    1921.64   123.192   2008.02   121.569   119.572 3.8465  122.245 3.7128  -2.672989      5.346056 
1 1 1 -15 -11 18 o 71.641  2.0299  688.740   38.927    691.665   56.116    686.026   54.044    71.785  2.9185  71.497  2.8221  0.2880554      4.059790 
1 1 1 -15 -11 19 o 40.682  1.9258  222.628   20.836    232.210   30.453    214.196   28.570    41.504  2.7550  39.861  2.6917  1.643463       3.851671 
1 1 1 -15 -11 20 o 112.617 2.5571  1706.22   77.103    1671.08   109.755   1740.47   108.341   111.464 3.6762  113.771 3.5553  -2.306328      5.114137 
1 1 1 -15 -11 21 o 157.722 3.2819  3358.28   138.587   3258.71   196.456   3456.92   195.532   155.373 4.7206  160.071 4.5605  -4.697708      6.563755 
1 1 1 -15 -11 22 o 55.542  1.9922  414.190   29.557    436.236   42.909    394.286   40.771    56.983  2.8113  54.100  2.8234  2.882816       3.984387 
1 1 1 -15 -11 23 o 68.356  2.0909  627.924   38.272    644.045   54.884    612.666   53.396    69.210  2.9607  67.503  2.9532  1.706390       4.181763 
1 1 1 -15 -11 24 o 43.392  1.9880  254.036   22.951    258.198   33.426    250.323   31.569    43.722  2.8702  43.062  2.7514  0.6596603      3.975941 
1 1 1 -15 -11 25 o 104.919 2.5147  1485.61   70.664    1470.08   100.238   1500.95   99.633    104.368 3.5857  105.471 3.5268  -1.103424      5.029489 
1 1 1 -15 -11 26 o 86.337  2.2971  1005.63   53.119    1010.13   75.443    1001.21   74.804    86.527  3.2552  86.147  3.2419  0.3803482      4.594154 
1 1 1 -15 -11 27 o 41.186  2.0943  230.009   22.938    238.448   32.482    221.615   32.396    41.952  2.9087  40.419  3.0140  1.532745       4.188656 
1 1 1 -15 -11 28 o 79.062  2.2545  845.317   47.733    862.422   67.425    828.131   67.585    79.873  3.1516  78.251  3.2245  1.621071       4.508916 
1 1 1 -15 -11 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -11 30 o 52.514  2.1807  375.378   30.463    404.902   43.112    345.939   43.050    54.617  2.9581  50.411  3.2050  4.205608       4.361415 
1 1 1 -15 -11 31 o 8.8581  2.6517  -8.6432   12.093    -26.1394  16.347    12.508    17.974    6.4350  3.1114  11.281  4.2947  -4.846114      5.303351 
1 1 1 -15 -11 32 o 41.761  2.2639  239.869   24.960    262.069   34.657    215.946   35.977    43.852  2.9681  39.671  3.4192  4.180992       4.527732 
1 1 1 -15 -11 33 o 34.927  2.3937  168.534   22.015    176.283   30.295    159.864   32.046    35.842  3.1890  34.013  3.5708  1.828468       4.787476 
1 1 1 -15 -11 34 o 15.874  3.2531  36.326    15.001    44.825    20.083    25.599    22.562    17.647  4.2903  14.101  4.8913  3.546577       6.506279 
1 1 1 -15 -11 35 o 29.282  2.2282  112.749   16.746    151.714   27.429    89.596    21.144    33.165  3.1246  25.400  3.1774  7.765163       4.456329 
1 1 1 -15 -11 36 o 32.177  2.2162  138.657   18.445    166.526   30.174    122.029   23.307    34.640  3.2916  29.713  2.9682  4.926905       4.432303 
1 1 1 -15 -11 37 o 31.792  2.2478  133.689   18.387    177.576   30.322    108.167   23.123    35.738  3.2015  27.845  3.1561  7.893761       4.495656 
1 1 1 -15 -11 38 o 23.645  3.3435  79.142    20.585    0.0000    0.0000    79.142    20.585    ?       ?       23.645  3.3435  ?              ?        
1 1 1 -15 -11 39 o 39.839  2.2559  217.228   23.487    253.468   37.540    193.920   30.107    42.437  3.3294  37.240  3.0449  5.196426       4.511797 
1 1 1 -15 -11 40 o 35.215  2.5530  186.115   22.003    147.486   35.701    209.775   27.940    31.602  4.3317  38.829  2.7034  -7.226814      5.106093 
1 1 1 -15 -11 41 o 36.167  2.3655  180.031   22.018    215.596   36.732    160.086   27.508    38.711  3.5833  33.624  3.0889  5.086819       4.730929 
1 1 1 -15 -11 42 o 27.417  2.8141  112.240   18.826    107.527   32.025    114.728   23.272    26.475  4.6876  28.358  3.1151  -1.883011      5.628267 
1 1 1 -15 -11 43 o 16.475  3.3573  40.598    14.698    48.790    26.773    37.064    17.584    17.392  5.2823  15.558  4.1452  1.834090       6.714506 
1 1 1 -15 -11 44 o 30.340  2.7989  133.250   21.081    154.029   36.828    123.123   25.710    31.620  4.4731  29.060  3.3654  2.560575       5.597735 
1 1 1 -15 -11 45 o 16.396  3.4612  46.098    16.640    33.604    28.631    52.470    20.448    14.592  5.4498  18.201  4.2684  -3.608656      6.922430 
1 1 1 -15 -10 1  o 122.703 2.7044  2022.05   88.880    2025.42   126.138   2018.72   125.258   122.803 3.8348  122.602 3.8143  0.2014618      5.408805 
1 1 1 -15 -10 2  o 192.127 3.8004  4970.44   195.569   4991.01   277.141   4950.03   276.014   192.523 5.3744  191.731 5.3747  0.7920990      7.600729 
1 1 1 -15 -10 3  o 41.839  1.8309  235.877   20.394    245.021   28.602    226.420   29.088    42.674  2.5134  41.004  2.6629  1.669823       3.661745 
1 1 1 -15 -10 4  o 71.190  1.9963  679.758   38.064    684.467   53.675    674.993   53.987    71.439  2.8051  70.941  2.8412  0.4974823      3.992638 
1 1 1 -15 -10 5  o 43.936  1.8538  259.405   21.691    242.966   30.118    277.122   31.266    42.483  2.6602  45.388  2.5825  -2.904919      3.707572 
1 1 1 -15 -10 6  o 200.254 3.9177  5402.16   210.039   5590.24   296.958   5213.88   297.123   203.762 5.4410  196.745 5.6382  7.017242       7.835467 
1 1 1 -15 -10 7  o 100.390 2.3269  1352.31   62.564    1349.27   87.831    1355.45   89.141    100.277 3.2701  100.504 3.3114  -0.2266083     4.653872 
1 1 1 -15 -10 8  o 135.248 2.8068  2456.87   101.671   2473.31   143.262   2440.19   144.311   135.707 3.9413  134.790 3.9972  0.9170837      5.613512 
1 1 1 -15 -10 9  o 97.322  2.2402  1270.86   58.388    1276.01   81.978    1265.55   83.183    97.524  3.1383  97.120  3.1977  0.4038467      4.480421 
1 1 1 -15 -10 10 o 121.877 2.6153  1994.21   85.375    1980.67   120.374   2007.92   121.106   121.461 3.7001  122.294 3.6972  -0.8329773     5.230658 
1 1 1 -15 -10 11 o 72.125  1.9452  697.836   37.546    661.920   52.894    734.314   53.306    70.252  2.8110  73.999  2.6895  -3.746605      3.890339 
1 1 1 -15 -10 12 o 75.422  1.9839  763.186   40.064    742.777   56.819    783.367   56.500    74.417  2.8506  76.427  2.7600  -2.009827      3.967808 
1 1 1 -15 -10 13 o 124.486 2.6378  2080.72   87.945    2121.77   124.874   2040.32   123.877   125.706 3.7087  123.266 3.7520  2.440071       5.275596 
1 1 1 -15 -10 14 o 134.510 2.8316  2430.69   102.012   2420.37   144.948   2440.81   143.594   134.224 4.0317  134.795 3.9772  -0.5711060     5.663290 
1 1 1 -15 -10 15 o 88.106  2.1549  1040.80   50.829    1087.02   72.872    997.012   70.934    90.010  3.0226  86.201  3.0722  3.809525       4.309827 
1 1 1 -15 -10 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -10 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -10 18 o 122.955 2.7176  2032.92   89.441    1965.50   127.193   2098.87   125.794   120.927 3.9269  124.982 3.7577  -4.054535      5.435174 
1 1 1 -15 -10 19 o 78.417  2.0807  825.221   43.691    830.416   62.631    820.297   60.980    78.656  2.9728  78.179  2.9121  0.4771576      4.161489 
1 1 1 -15 -10 20 o 101.668 2.4260  1389.59   66.029    1356.29   94.127    1421.85   92.648    100.462 3.4980  102.875 3.3623  -2.412773      4.851950 
1 1 1 -15 -10 21 o 39.008  2.0630  206.224   21.313    191.653   30.708    219.767   29.606    37.649  3.0719  40.367  2.7546  -2.718372      4.126062 
1 1 1 -15 -10 22 o 201.426 4.0024  5496.43   215.921   5426.31   305.695   5566.23   305.022   200.126 5.7029  202.725 5.6174  -2.598648      8.004879 
1 1 1 -15 -10 23 f 107.863 2.5857  1566.44   74.699    1591.66   106.218   1541.76   105.072   108.723 3.6474  107.002 3.6661  1.720741       5.171467 
1 1 1 -15 -10 24 o 21.118  2.8036  62.403    15.234    53.723    21.635    70.939    21.456    19.574  4.2485  22.662  3.6593  -3.088362      5.607178 
1 1 1 -15 -10 25 o 94.904  2.4209  1214.31   61.479    1282.10   87.284    1147.57   86.610    97.548  3.3406  92.260  3.5048  5.287895       4.841869 
1 1 1 -15 -10 26 o 110.100 2.6145  1637.86   77.085    1675.82   108.928   1599.77   109.100   111.390 3.6510  108.809 3.7434  2.580406       5.229023 
1 1 1 -15 -10 27 o 31.758  2.2632  137.833   18.900    151.327   26.690    124.262   26.767    33.367  3.0191  30.149  3.3724  3.217718       4.526369 
1 1 1 -15 -10 28 o 51.348  2.0986  358.420   28.607    391.191   40.076    324.376   40.847    53.791  2.7911  48.906  3.1347  4.885342       4.197255 
1 1 1 -15 -10 29 o 28.283  3.4934  110.043   25.902    0.0000    0.0000    110.043   25.902    ?       ?       28.283  3.4934  ?              ?        
1 1 1 -15 -10 30 o 80.684  3.0650  888.768   59.529    883.730   70.379    901.436   111.595   80.736  3.2545  80.633  5.1947  0.1031342      6.130023 
1 1 1 -15 -10 31 o 59.807  2.1900  486.358   34.949    490.090   48.876    482.453   49.995    60.056  3.0484  59.557  3.1452  0.4986076      4.380073 
1 1 1 -15 -10 32 o 11.384  2.7938  10.359    12.498    30.168    17.108    -12.3139  18.303    14.636  4.1650  8.1317  3.7248  6.504333       5.587574 
1 1 1 -15 -10 33 o 57.702  2.0827  455.108   31.762    435.660   47.983    470.275   42.375    56.488  3.1843  58.915  2.6853  -2.426914      4.165417 
1 1 1 -15 -10 34 o 19.189  2.7138  50.008    13.120    63.040    21.800    42.608    16.428    21.063  4.0107  17.315  3.6569  3.748104       5.427571 
1 1 1 -15 -10 35 o 18.555  2.8029  54.062    13.324    31.025    21.692    68.019    16.884    14.952  4.7878  22.157  2.9158  -7.205177      5.605833 
1 1 1 -15 -10 36 o 6.9596  2.2596  -7.4409   8.9464    -14.7658  16.656    -4.4709   10.606    7.3759  3.4393  6.5432  2.9316  0.8326988      4.519136 
1 1 1 -15 -10 37 o 21.322  2.7901  65.050    14.769    66.397    24.743    64.304    18.408    21.302  4.4787  21.343  3.3287  -0.4084396E-01 5.580182 
1 1 1 -15 -10 38 f 41.872  2.2216  243.895   24.086    243.892   38.600    243.896   30.823    41.691  3.4887  42.053  2.7517  -0.3616753     4.443252 
1 1 1 -15 -10 39 o 43.373  2.5861  268.458   29.518    298.095   41.232    237.302   42.276    46.041  3.3669  40.705  3.9262  5.335709       5.172169 
1 1 1 -15 -10 40 o 48.384  2.2650  328.099   28.654    337.790   45.214    321.595   37.043    48.766  3.4845  48.003  2.8946  0.7623749      4.529914 
1 1 1 -15 -10 41 o 35.282  2.4007  170.818   21.800    209.848   36.330    148.855   27.252    38.194  3.5935  32.369  3.1844  5.824497       4.801421 
1 1 1 -15 -10 42 o 13.718  3.2572  28.320    14.226    17.749    25.197    33.267    17.237    12.627  5.0057  14.809  4.1688  -2.182658      6.514325 
1 1 1 -15 -10 43 f 11.789  3.2028  15.152    13.649    24.002    23.384    10.579    16.809    13.265  4.9309  10.314  4.0886  2.950734       6.405514 
1 1 1 -15 -10 44 o 32.288  2.6944  146.497   21.863    184.892   38.211    127.810   26.658    34.994  4.1580  29.582  3.4279  5.412327       5.388850 
1 1 1 -15 -10 45 f 15.738  3.5260  39.005    15.499    45.049    29.549    36.712    18.204    16.270  5.6003  15.206  4.2856  1.064187       7.051913 
1 1 1 -15 -9  1  o 141.114 2.9727  2675.76   112.348   2645.80   159.301   2705.40   158.469   140.324 4.2384  141.903 4.1693  -1.579224      5.945317 
1 1 1 -15 -9  2  o 206.387 4.0508  5739.28   223.899   5643.98   317.067   5834.07   316.217   204.666 5.7838  208.108 5.6729  -3.441818      8.101537 
1 1 1 -15 -9  3  o 241.623 4.6609  7880.21   301.637   7816.75   426.948   7943.45   426.211   240.642 6.6239  242.603 6.5590  -1.960999      9.321851 
1 1 1 -15 -9  4  o 117.634 2.6332  1858.35   82.930    1923.48   117.310   1793.28   117.252   119.700 3.6589  115.568 3.7879  4.132469       5.266453 
1 1 1 -15 -9  5  o 60.051  1.8686  483.192   30.031    456.488   41.902    511.398   43.064    58.345  2.6812  61.757  2.6034  -3.411736      3.737193 
1 1 1 -15 -9  6  o 184.040 3.6088  4557.29   177.886   4598.12   251.262   4516.26   251.877   184.871 5.0742  183.209 5.1328  1.662628       7.217556 
1 1 1 -15 -9  7  o 134.026 2.8044  2412.48   100.669   2423.19   141.784   2401.59   142.957   134.328 3.9407  133.723 3.9912  0.6047974      5.608837 
1 1 1 -15 -9  8  o 119.997 2.5980  1933.04   83.497    1934.83   117.441   1931.20   118.734   120.055 3.6522  119.939 3.6960  0.1159744      5.196017 
1 1 1 -15 -9  9  o 73.547  1.9377  725.427   38.168    728.573   53.627    722.198   54.335    73.709  2.7162  73.384  2.7643  0.3249359      3.875466 
1 1 1 -15 -9  10 o 83.932  2.0469  945.051   45.992    907.500   64.897    982.941   65.189    82.254  2.9456  85.609  2.8429  -3.355202      4.093741 
1 1 1 -15 -9  11 o 113.438 2.4735  1728.02   75.103    1655.58   106.291   1800.24   106.134   111.058 3.5732  115.819 3.4213  -4.761620      4.946995 
1 1 1 -15 -9  12 o 237.866 4.5550  7634.96   290.136   7842.10   410.949   7429.09   409.681   241.104 6.3635  234.627 6.5190  6.476822       9.109926 
1 1 1 -15 -9  13 o 170.099 3.3935  3891.07   154.583   3987.54   219.418   3795.99   217.817   172.198 4.7572  167.999 4.8406  4.199020       6.786912 
1 1 1 -15 -9  14 o 160.180 3.2194  3449.25   138.119   3461.52   196.246   3437.21   194.427   160.460 4.5661  159.899 4.5396  0.5608063      6.438739 
1 1 1 -15 -9  15 o 128.328 2.7274  2211.78   93.736    2204.20   133.489   2219.15   131.656   128.108 3.8903  128.548 3.8237  -0.4399109     5.454833 
1 1 1 -15 -9  16 o 46.198  1.8731  286.000   23.026    313.449   33.727    262.033   31.514    48.276  2.6181  44.121  2.6794  4.154243       3.746114 
1 1 1 -15 -9  17 o 76.033  2.5922  779.256   48.943    772.969   86.823    782.184   59.254    75.708  4.2993  76.358  2.8972  -0.6497192     5.184364 
1 1 1 -15 -9  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -9  19 o 99.953  2.3564  1341.05   63.076    1373.52   90.025    1309.74   88.403    101.142 3.3231  98.764  3.3418  2.377625       4.712792 
1 1 1 -15 -9  20 o 149.610 3.1390  3012.59   125.785   3028.98   178.485   2996.42   177.294   150.014 4.4420  149.206 4.4363  0.8073883      6.277909 
1 1 1 -15 -9  21 f 85.425  2.2502  980.014   51.480    985.483   73.530    974.755   72.097    85.657  3.2049  85.193  3.1596  0.4640045      4.500481 
1 1 1 -15 -9  22 o 76.691  2.1556  789.877   44.263    821.559   63.103    759.192   62.103    78.208  3.0124  75.175  3.0842  3.032394       4.311266 
1 1 1 -15 -9  23 o 144.793 3.1341  2828.28   121.548   2821.14   171.842   2835.42   171.947   144.610 4.4365  144.977 4.4280  -0.3673706     6.268169 
1 1 1 -15 -9  24 o 117.270 2.6784  1853.35   84.116    1889.72   118.834   1816.84   119.083   118.431 3.7462  116.109 3.8291  2.321892       5.356839 
1 1 1 -15 -9  25 o 128.242 2.8865  2221.40   99.123    2269.12   139.769   2173.11   140.597   129.643 4.0251  126.841 4.1383  2.801422       5.772961 
1 1 1 -15 -9  26 o 56.865  2.0742  435.705   31.517    417.033   44.169    455.073   44.986    55.580  2.9778  58.150  2.8883  -2.570274      4.148426 
1 1 1 -15 -9  27 o 114.787 2.7095  1783.49   83.264    1834.12   117.206   1731.91   118.307   116.455 3.7575  113.120 3.9047  3.335197       5.418997 
1 1 1 -15 -9  28 o 24.665  2.4720  85.030    15.607    98.122    21.605    70.743    22.569    26.793  3.0656  22.536  3.8789  4.257544       4.944084 
1 1 1 -15 -9  29 o 72.357  2.2358  708.108   43.313    713.401   60.523    702.551   62.013    72.646  3.1104  72.069  3.2125  0.5768814      4.471591 
1 1 1 -15 -9  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -9  31 o 52.822  2.4708  371.810   33.640    346.675   41.956    417.055   56.292    50.475  3.1186  55.168  3.8334  -4.692188      4.941691 
1 1 1 -15 -9  32 o 41.085  1.9963  227.534   21.635    244.662   33.358    215.098   28.424    42.383  2.9570  39.788  2.6828  2.594898       3.992605 
1 1 1 -15 -9  33 o 33.958  2.4756  175.485   19.613    103.871   30.608    225.376   25.548    27.137  4.3585  40.780  2.3489  -13.64298      4.951164 
1 1 1 -15 -9  34 o 25.309  2.3538  86.162    15.296    104.347   24.597    74.696    19.532    27.428  3.4226  23.191  3.2323  4.237831       4.707639 
1 1 1 -15 -9  35 o 7.4685  2.3571  -13.4256  8.9691    6.9631    16.984    -21.3108  10.562    10.110  4.0751  4.8271  2.3702  5.282764       4.714263 
1 1 1 -15 -9  36 o 25.571  2.4259  86.184    15.690    120.378   26.009    66.623    19.672    29.406  3.3626  21.736  3.4976  7.670464       4.851879 
1 1 1 -15 -9  37 o 43.219  2.1714  256.509   24.541    266.253   38.712    249.961   31.733    43.791  3.3252  42.647  2.7934  1.144321       4.342828 
1 1 1 -15 -9  38 o 45.976  2.1859  287.282   26.439    333.375   41.520    255.845   34.290    48.979  3.1822  42.973  2.9979  6.006069       4.371897 
1 1 1 -15 -9  39 o 23.398  4.6043  81.567    27.828    81.567    27.828    0.0000    0.0000    23.398  4.6043  ?       ?       ?              ?        
1 1 1 -15 -9  40 f 42.421  2.2855  248.820   25.308    279.677   40.595    229.202   32.368    44.400  3.4404  40.442  3.0096  3.958027       4.571008 
1 1 1 -15 -9  41 o 22.737  3.1217  82.941    17.226    62.785    29.312    93.575    21.290    19.857  5.3783  25.616  3.1706  -5.759291      6.243314 
1 1 1 -15 -9  42 o 12.351  3.2244  14.957    13.613    34.779    24.494    6.0987    16.375    15.137  5.1004  9.5653  3.9462  5.571908       6.448812 
1 1 1 -15 -9  43 o 35.410  2.6314  185.349   23.184    175.308   38.831    190.911   28.900    34.119  4.3479  36.700  2.9653  -2.581127      5.262779 
1 1 1 -15 -9  44 o 24.326  3.4006  104.935   20.278    60.444    34.094    129.287   25.224    18.734  6.0029  29.918  3.1972  -11.18413      6.801208 
1 1 1 -15 -9  45 o 16.934  3.5573  48.996    17.069    40.098    31.163    52.809    20.401    15.571  5.7094  18.296  4.2449  -2.725230      7.114520 
1 1 1 -15 -8  1  o 72.748  1.9778  709.815   38.537    701.526   54.568    718.062   54.431    72.324  2.8169  73.173  2.7772  -0.8488541     3.955695 
1 1 1 -15 -8  2  o 181.976 3.5623  4455.52   173.570   4606.72   246.085   4305.83   244.851   185.060 4.9646  178.891 5.1100  6.168900       7.124564 
1 1 1 -15 -8  3  o 161.173 3.2423  3491.85   139.969   3479.04   198.171   3504.59   197.721   160.876 4.5990  161.469 4.5717  -0.5930634     6.484651 
1 1 1 -15 -8  4  o 230.388 4.4651  7159.06   275.467   7344.52   389.770   6973.98   389.368   233.389 6.2350  227.386 6.3930  6.002975       8.930106 
1 1 1 -15 -8  5  o 21.174  1.9982  61.115    11.039    59.576    15.206    62.830    16.052    20.893  2.7866  21.455  2.8647  -0.5618935     3.996466 
1 1 1 -15 -8  6  o 73.582  1.9532  726.680   38.462    746.640   53.783    705.788   55.025    74.620  2.6910  72.545  2.8318  2.074989       3.906471 
1 1 1 -15 -8  7  o 135.015 2.7883  2447.67   100.827   2408.01   141.955   2488.05   143.235   133.910 3.9578  136.120 3.9286  -2.209900      5.576545 
1 1 1 -15 -8  8  o 69.707  1.8750  651.991   34.983    672.542   49.129    630.852   49.826    70.824  2.5898  68.590  2.7121  2.234077       3.750039 
1 1 1 -15 -8  9  o 132.525 2.7680  2358.58   98.236    2299.64   138.743   2417.83   139.111   130.861 3.9583  134.189 3.8704  -3.328522      5.536072 
1 1 1 -15 -8  10 o 150.152 3.0405  3029.80   122.249   2949.03   173.008   3110.34   172.764   148.146 4.3600  152.157 4.2391  -4.011581      6.081091 
1 1 1 -15 -8  11 o 159.082 3.1858  3401.81   135.687   3532.65   192.487   3272.58   191.298   162.132 4.4324  156.032 4.5773  6.099991       6.371657 
1 1 1 -15 -8  12 o 127.997 2.7066  2199.74   92.790    2210.88   131.961   2188.84   130.502   128.317 3.8395  127.678 3.8160  0.6391144      5.413293 
1 1 1 -15 -8  13 o 237.737 4.5338  7625.25   288.699   7631.34   409.179   7619.21   407.392   237.829 6.4233  237.646 6.4002  0.1828918      9.067606 
1 1 1 -15 -8  14 o 104.125 2.3613  1454.96   65.844    1454.47   94.031    1455.44   92.229    104.105 3.3722  104.144 3.3063  -0.3881836E-01 4.722628 
1 1 1 -15 -8  15 f 114.906 2.5336  1771.85   77.956    1833.95   111.262   1711.97   109.257   116.885 3.5538  112.926 3.6121  3.958626       5.067283 
1 1 1 -15 -8  16 f 118.999 2.6194  1901.92   83.465    1871.21   118.861   1931.79   117.231   118.047 3.7592  119.951 3.6488  -1.904861      5.238820 
1 1 1 -15 -8  17 o 100.074 2.3665  1343.65   63.422    1379.82   90.618    1308.93   88.793    101.394 3.3367  98.753  3.3569  2.640312       4.733099 
1 1 1 -15 -8  18 o 170.023 3.4264  3889.91   156.030   3948.45   221.349   3832.10   219.977   171.298 4.8243  168.748 4.8669  2.549988       6.852767 
1 1 1 -15 -8  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -8  20 o 136.732 2.9509  2514.09   108.069   2546.21   153.168   2482.25   152.500   137.604 4.1557  135.860 4.1907  1.743927       5.901884 
1 1 1 -15 -8  21 o 122.700 2.7397  2024.29   90.029    2067.23   127.550   1981.66   127.092   124.001 3.8403  121.399 3.9085  2.601913       5.479469 
1 1 1 -15 -8  22 o 71.966  2.0982  695.453   40.444    705.110   57.257    685.838   57.135    72.466  2.9499  71.467  2.9847  0.9993896      4.196485 
1 1 1 -15 -8  23 o 24.374  2.4903  81.835    15.720    87.285    21.848    75.984    22.637    25.269  3.3073  23.479  3.7239  1.790091       4.980550 
1 1 1 -15 -8  24 o 44.219  2.1321  264.258   25.073    276.894   35.345    251.458   35.575    45.299  2.9287  43.139  3.0995  2.160397       4.264287 
1 1 1 -15 -8  25 o 71.925  2.1559  695.502   41.519    671.560   58.095    720.498   59.359    70.658  3.0696  73.192  3.0279  -2.533539      4.311706 
1 1 1 -15 -8  26 o 79.010  2.2371  840.411   47.336    825.559   66.284    855.869   67.623    78.298  3.1606  79.722  3.1669  -1.423531      4.474182 
1 1 1 -15 -8  27 o 127.128 2.8867  2187.85   98.285    2171.64   137.863   2204.61   140.159   126.656 4.0638  127.601 4.1009  -0.9453354     5.773361 
1 1 1 -15 -8  28 o 77.150  2.2627  804.754   46.681    834.841   65.049    772.807   67.030    78.660  3.0874  75.640  3.3085  3.020500       4.525313 
1 1 1 -15 -8  29 o 37.533  2.4908  189.048   23.818    180.418   29.608    204.875   40.097    36.420  3.0636  38.646  3.9282  -2.225994      4.981647 
1 1 1 -15 -8  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -8  31 o 53.474  2.0964  396.537   29.220    328.287   43.577    452.289   39.386    49.065  3.3357  57.883  2.5404  -8.817856      4.192861 
1 1 1 -15 -8  32 o 55.627  2.0042  414.194   29.609    470.638   45.092    371.406   39.259    58.950  2.8558  52.304  2.8127  6.646332       4.008316 
1 1 1 -15 -8  33 o 11.555  2.8041  16.915    10.847    6.5286    18.033    22.804    13.578    10.324  4.1858  12.786  3.7326  -2.461948      5.608263 
1 1 1 -15 -8  34 o 40.759  2.0693  226.686   22.103    228.466   34.380    225.432   28.857    40.828  3.1687  40.691  2.6623  0.1365814      4.138651 
1 1 1 -15 -8  35 f 50.363  2.0482  341.276   27.265    386.855   42.161    308.511   35.745    53.192  2.9710  47.534  2.8202  5.658432       4.096379 
1 1 1 -15 -8  36 o 35.585  2.2004  172.328   20.407    187.441   32.473    162.464   26.235    36.790  3.3315  34.380  2.8753  2.409954       4.400738 
1 1 1 -15 -8  37 o 26.450  2.5613  97.659    17.237    103.505   27.864    94.034    21.940    26.960  3.9781  25.941  3.2274  1.019093       5.122649 
1 1 1 -15 -8  38 o 32.068  2.4940  149.757   19.972    124.534   31.700    166.359   25.718    29.438  4.1343  34.698  2.7908  -5.259754      4.988095 
1 1 1 -15 -8  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -8  40 o 17.662  2.7978  35.203    14.178    92.385    24.962    7.9710    17.226    25.217  3.8148  10.107  4.0935  15.11026       5.595538 
1 1 1 -15 -8  41 o 30.499  2.5413  130.013   19.783    152.292   32.938    117.440   24.743    32.321  3.8824  28.678  3.2802  3.642344       5.082621 
1 1 1 -15 -8  42 o 11.781  3.1616  13.661    12.930    27.785    23.627    7.6211    15.449    13.950  4.9910  9.6119  3.8824  4.338242       6.323230 
1 1 1 -15 -8  43 o 16.844  3.3871  40.163    15.379    61.579    27.199    30.098    18.646    19.596  5.1240  14.091  4.4309  5.504108       6.774104 
1 1 1 -15 -8  44 o 20.634  3.3979  73.715    17.866    50.697    32.264    83.894    21.455    17.369  5.8537  23.898  3.4519  -6.528677      6.795710 
1 1 1 -15 -8  45 o 29.672  2.9825  134.222   21.616    140.984   37.573    130.877   26.427    29.539  4.9221  29.806  3.3694  -0.2669144     5.964921 
1 1 1 -15 -7  1  o 97.184  2.3154  1267.31   60.267    1259.06   85.472    1275.46   84.990    96.868  3.2942  97.499  3.2545  -0.6310959     4.630727 
1 1 1 -15 -7  2  o 135.879 2.7898  2479.29   101.526   2526.62   143.919   2432.41   143.242   137.172 3.9171  134.585 3.9736  2.586716       5.579698 
1 1 1 -15 -7  3  o 115.047 2.5374  1776.54   78.187    1795.44   110.600   1757.66   110.548   115.660 3.5701  114.435 3.6067  1.225693       5.074799 
1 1 1 -15 -7  4  o 44.274  1.7113  263.379   20.207    258.038   28.042    269.149   29.145    43.808  2.3989  44.741  2.4412  -0.9328728     3.422642 
1 1 1 -15 -7  5  o 97.482  2.2505  1275.07   58.750    1292.13   82.606    1257.60   83.571    98.144  3.1424  96.820  3.2226  1.324234       4.501052 
1 1 1 -15 -7  6  o 165.835 3.2948  3696.34   146.348   3667.31   206.399   3725.70   207.542   165.180 4.6651  166.491 4.6540  -1.311234      6.589605 
1 1 1 -15 -7  7  o 303.576 5.7239  12477.32  465.408   12354.50  657.621   12600.57  658.754   302.066 8.1280  305.087 8.0614  -3.020569      11.44775 
1 1 1 -15 -7  8  o 96.912  2.2070  1259.88   57.289    1260.97   80.875    1258.78   81.163    96.955  3.1143  96.870  3.1281  0.8509064E-01  4.414035 
1 1 1 -15 -7  9  o 112.802 2.4607  1707.82   74.337    1675.52   105.271   1739.94   104.986   111.736 3.5174  113.869 3.4422  -2.132942      4.921494 
1 1 1 -15 -7  10 o 50.167  1.6961  337.507   22.727    360.454   32.628    315.880   31.676    51.855  2.3491  48.479  2.4473  3.375580       3.392284 
1 1 1 -15 -7  11 o 144.229 2.9532  2794.11   114.085   2814.96   162.111   2773.65   160.579   144.762 4.1809  143.696 4.1721  1.065247       5.906481 
1 1 1 -15 -7  12 o 73.109  1.9572  717.044   38.297    709.220   55.079    724.368   53.286    72.721  2.8277  73.497  2.7068  -0.7767715     3.914431 
1 1 1 -15 -7  13 o 263.393 5.0157  9374.86   353.818   9244.68   501.145   9504.24   499.607   261.550 7.1535  265.236 7.0324  -3.686432      10.03136 
1 1 1 -15 -7  14 o 190.141 3.7526  4867.49   191.073   4765.48   270.960   4968.40   269.483   188.146 5.3767  192.136 5.2364  -3.989609      7.505289 
1 1 1 -15 -7  15 o 169.702 3.3786  3872.73   153.566   3927.55   217.961   3818.70   216.398   170.897 4.7616  168.507 4.7945  2.389664       6.757256 
1 1 1 -15 -7  16 o 153.467 3.1610  3165.75   129.932   3189.38   184.498   3142.49   183.013   154.035 4.4718  152.899 4.4688  1.136169       6.321948 
1 1 1 -15 -7  17 o 137.063 2.9944  2525.23   109.898   2469.25   156.025   2580.34   154.821   135.548 4.2974  138.577 4.1711  -3.029434      5.988826 
1 1 1 -15 -7  18 o 107.418 2.4954  1549.01   71.794    1559.57   102.047   1538.66   101.026   107.780 3.5349  107.056 3.5232  0.7239380      4.990788 
1 1 1 -15 -7  19 f 121.031 3.9120  1968.05   126.820   0.0000    0.0000    1968.05   126.820   ?       ?       121.031 3.9120  ?              ?        
1 1 1 -15 -7  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -7  21 o 62.185  2.0434  519.245   34.007    543.620   48.078    494.840   48.108    63.649  2.8201  60.720  2.9580  2.928764       4.086890 
1 1 1 -15 -7  22 o 77.742  2.1712  811.455   45.209    802.710   63.559    820.410   64.319    77.318  3.0691  78.165  3.0721  -0.8476028     4.342448 
1 1 1 -15 -7  23 o 70.574  2.1292  668.992   40.237    668.776   56.228    669.218   57.604    70.565  2.9749  70.583  3.0469  -0.1831818E-01 4.258395 
1 1 1 -15 -7  24 o 102.980 2.4987  1428.51   68.845    1487.39   96.599    1367.74   98.143    105.153 3.4298  100.808 3.6348  4.345589       4.997466 
1 1 1 -15 -7  25 o 68.063  2.1487  622.560   39.157    608.782   54.492    637.269   56.306    67.286  3.0235  68.840  3.0537  -1.553497      4.297307 
1 1 1 -15 -7  26 o 68.710  2.1628  635.994   39.761    654.865   55.524    616.131   56.965    69.766  2.9713  67.653  3.1436  2.113289       4.325614 
1 1 1 -15 -7  27 o 78.941  2.1485  838.191   45.342    858.083   66.517    820.926   61.970    79.804  3.1119  78.079  2.9632  1.725029       4.297024 
1 1 1 -15 -7  28 o 51.716  1.9319  358.171   26.544    394.220   39.920    329.601   35.538    54.030  2.7678  49.402  2.6959  4.627579       3.863745 
1 1 1 -15 -7  29 o 48.812  1.9246  317.030   24.884    379.568   37.700    268.751   33.125    53.070  2.6522  44.555  2.7897  8.514137       3.849273 
1 1 1 -15 -7  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -7  31 o 84.267  2.2828  964.128   51.352    948.896   75.428    977.286   70.109    83.599  3.3685  84.935  3.0817  -1.335701      4.565523 
1 1 1 -15 -7  32 o 47.507  1.9970  302.179   25.103    344.840   38.487    270.595   33.116    50.383  2.8637  44.631  2.7841  5.752838       3.994039 
1 1 1 -15 -7  33 o 43.194  2.0286  251.269   23.138    275.093   35.637    233.908   30.422    44.924  2.9785  41.464  2.7549  3.459923       4.057231 
1 1 1 -15 -7  34 o 65.033  2.1221  572.737   36.778    599.640   55.335    551.448   49.223    66.356  3.1134  63.709  2.8846  2.647469       4.244269 
1 1 1 -15 -7  35 o 30.360  2.3425  131.547   17.834    111.396   28.379    144.700   22.927    28.184  3.8609  32.537  2.6539  -4.353430      4.685005 
1 1 1 -15 -7  36 o 17.702  2.9768  46.201    13.649    40.734    22.330    49.461    17.245    16.757  4.7548  18.647  3.5829  -1.890327      5.953607 
1 1 1 -15 -7  37 o 30.368  2.3970  130.052   18.541    123.531   29.633    134.248   23.769    29.556  3.8335  31.179  2.8786  -1.623066      4.793917 
1 1 1 -15 -7  38 o 45.206  2.2495  284.089   26.599    283.729   41.520    284.339   34.642    45.027  3.4694  45.386  2.8644  -0.3589478     4.499048 
1 1 1 -15 -7  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -7  40 o 8.5162  2.6653  -6.4156   11.287    6.1436    20.103    -12.1979  13.640    10.421  4.3417  6.6119  3.0927  3.808685       5.330592 
1 1 1 -15 -7  41 o 13.316  3.2589  25.459    13.975    18.310    24.766    28.798    16.927    12.725  4.9886  13.907  4.1947  -1.181413      6.517785 
1 1 1 -15 -7  42 o 10.930  3.0894  11.505    12.668    12.149    23.838    11.251    14.955    11.720  4.7895  10.140  3.9036  1.580018       6.178836 
1 1 1 -15 -7  43 o 25.699  3.0394  100.157   18.922    98.828    32.796    100.820   23.167    25.003  5.0706  26.394  3.3526  -1.391741      6.078716 
1 1 1 -15 -7  44 o 11.613  3.2623  15.182    14.384    12.779    26.360    16.201    17.165    11.977  4.9794  11.248  4.2160  0.7287054      6.524518 
1 1 1 -15 -7  45 o 22.457  3.4663  81.163    19.046    86.184    34.285    78.922    22.906    22.205  5.7271  22.710  3.9066  -0.5051842     6.932591 
1 1 1 -15 -6  1  o 191.332 3.8238  4927.06   195.955   4887.29   277.543   4966.59   276.703   190.557 5.4377  192.107 5.3775  -1.550186      7.647621 
1 1 1 -15 -6  2  o 69.057  1.9296  639.449   35.690    630.460   50.355    648.522   50.592    68.569  2.7417  69.545  2.7160  -0.9760818     3.859217 
1 1 1 -15 -6  3  o 155.473 3.1131  3247.43   129.637   3267.41   183.396   3227.47   183.273   155.952 4.3905  154.993 4.4146  0.9585876      6.226162 
1 1 1 -15 -6  4  o 105.727 2.3579  1499.65   66.771    1488.82   94.124    1510.62   94.737    105.342 3.3359  106.111 3.3333  -0.7686005     4.715790 
1 1 1 -15 -6  5  o 192.174 3.7392  4968.12   192.469   4981.90   271.773   4954.26   272.613   192.444 5.2725  191.904 5.3036  0.5396423      7.478451 
1 1 1 -15 -6  6  o 103.354 2.3184  1433.96   64.135    1485.33   90.299    1381.67   91.109    105.227 3.2038  101.481 3.3519  3.745956       4.636756 
1 1 1 -15 -6  7  o 261.214 4.9563  9212.14   346.613   8884.63   489.728   9540.87   490.643   256.526 7.1274  265.902 6.8890  -9.375519      9.912554 
1 1 1 -15 -6  8  o 115.451 2.5021  1788.66   77.374    1800.60   109.624   1776.81   109.223   115.836 3.5333  115.067 3.5438  0.7684555      5.004261 
1 1 1 -15 -6  9  o 105.311 2.3483  1488.21   66.228    1467.02   94.130    1508.98   93.197    104.566 3.3608  106.055 3.2808  -1.489479      4.696697 
1 1 1 -15 -6  10 o 66.952  1.8393  600.561   32.973    620.453   47.364    581.856   45.930    68.027  2.5994  65.877  2.6030  2.149956       3.678638 
1 1 1 -15 -6  11 o 89.310  2.1284  1069.40   50.903    1091.67   72.920    1048.23   71.090    90.216  3.0177  88.404  3.0023  1.812622       4.256753 
1 1 1 -15 -6  12 o 202.354 3.9635  5514.50   214.770   5394.27   304.479   5633.55   302.987   200.144 5.6797  204.564 5.5297  -4.420181      7.926995 
1 1 1 -15 -6  13 o 206.293 4.0467  5735.55   223.417   5480.67   316.458   5988.83   315.464   201.693 5.8578  210.893 5.5847  -9.200424      8.093364 
1 1 1 -15 -6  14 o 207.180 4.0528  5781.94   224.896   5840.08   318.841   5724.39   317.266   208.219 5.7169  206.141 5.7461  2.078735       8.105597 
1 1 1 -15 -6  15 o 102.914 2.4188  1421.69   66.660    1406.84   95.000    1436.10   93.560    102.381 3.4643  103.446 3.3767  -1.064903      4.837687 
1 1 1 -15 -6  16 f 56.257  1.9248  423.693   28.977    442.172   42.084    407.035   39.957    57.420  2.7363  55.093  2.7078  2.327858       3.849577 
1 1 1 -15 -6  17 o 168.782 3.4506  3832.16   155.990   3863.89   220.948   3800.63   220.262   169.481 4.8672  168.084 4.8924  1.396820       6.901120 
1 1 1 -15 -6  18 o 112.044 2.5799  1685.56   77.422    1707.60   109.721   1663.71   109.262   112.775 3.6324  111.313 3.6647  1.461388       5.159832 
1 1 1 -15 -6  19 o 67.244  2.0590  606.635   37.085    602.914   52.537    610.330   52.354    67.038  2.9259  67.450  2.8979  -0.4121170     4.118064 
1 1 1 -15 -6  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -6  21 o 132.123 2.8667  2347.16   101.438   2368.08   142.882   2325.89   144.035   132.721 4.0193  131.525 4.0886  1.196350       5.733324 
1 1 1 -15 -6  22 o 52.550  2.0192  372.012   28.290    381.463   39.552    362.112   40.479    53.243  2.7831  51.858  2.9263  1.385227       4.038383 
1 1 1 -15 -6  23 o 180.551 3.7130  4404.53   179.486   4521.50   252.813   4285.66   254.864   182.995 5.1579  178.106 5.3425  4.889023       7.425996 
1 1 1 -15 -6  24 o 180.524 3.6969  4408.66   178.714   4482.79   251.485   4333.03   254.012   182.081 5.1565  178.966 5.2990  3.115128       7.393862 
1 1 1 -15 -6  25 o 35.910  1.9824  172.143   18.777    192.593   28.770    156.969   24.783    37.748  2.8669  34.072  2.7387  3.676079       3.964812 
1 1 1 -15 -6  26 o 18.641  2.5909  53.781    12.027    29.454    19.290    69.250    15.382    14.727  4.4861  22.554  2.5935  -7.826534      5.181810 
1 1 1 -15 -6  27 o 64.092  2.0150  549.307   34.481    602.384   51.250    505.414   46.606    66.901  2.8600  61.282  2.8393  5.618668       4.030101 
1 1 1 -15 -6  28 o 88.341  2.2966  1054.63   54.197    1032.49   79.100    1074.21   74.408    87.439  3.3774  89.244  3.1128  -1.804619      4.593100 
1 1 1 -15 -6  29 o 40.928  1.9872  227.860   21.436    219.798   32.330    234.183   28.634    40.239  3.0217  41.616  2.5816  -1.376282      3.974312 
1 1 1 -15 -6  30 o 41.933  2.6196  238.074   29.274    0.0000    0.0000    238.074   29.274    ?       ?       41.933  2.6196  ?              ?        
1 1 1 -15 -6  31 o 75.038  2.2034  766.353   44.011    726.252   64.923    800.450   59.865    73.157  3.3133  76.920  2.9057  -3.762352      4.406891 
1 1 1 -15 -6  32 o 33.652  2.0644  150.072   18.147    186.090   28.642    125.915   23.456    36.952  2.9176  30.352  2.9213  6.600071       4.128746 
1 1 1 -15 -6  33 o 43.469  2.1251  261.488   24.048    236.269   36.946    280.026   31.676    41.521  3.3506  45.418  2.6149  -3.896992      4.250228 
1 1 1 -15 -6  34 o 46.705  2.1232  301.361   25.885    277.882   39.846    318.504   34.048    45.004  3.3292  48.407  2.6359  -3.402683      4.246363 
1 1 1 -15 -6  35 o 30.844  2.2866  130.921   18.258    133.992   28.817    128.861   23.600    31.060  3.5263  30.628  2.9118  0.4323521      4.573153 
1 1 1 -15 -6  36 o 27.982  2.4149  106.595   17.306    121.130   28.307    97.920    21.869    29.402  3.6747  26.562  3.1341  2.840252       4.829721 
1 1 1 -15 -6  37 o 9.2269  2.7677  -0.3286   11.286    8.9086    19.791    -4.7801   13.739    10.920  4.3999  7.5339  3.3587  3.386009       5.535388 
1 1 1 -15 -6  38 o 50.627  2.2415  355.979   29.595    355.524   46.809    356.281   38.199    50.411  3.4881  50.843  2.8160  -0.4314766     4.482963 
1 1 1 -15 -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -6  40 o 15.394  2.9705  38.151    14.122    10.399    23.634    53.561    17.612    11.600  4.7579  19.189  3.5576  -7.589569      5.940951 
1 1 1 -15 -6  41 o 23.653  3.0759  86.550    17.618    75.930    30.171    92.045    21.703    21.955  5.2092  25.352  3.2725  -3.397284      6.151799 
1 1 1 -15 -6  42 o 21.471  3.1958  72.393    16.694    65.205    29.798    75.682    20.154    20.097  5.4141  22.845  3.3970  -2.748198      6.391575 
1 1 1 -15 -6  43 o 19.171  3.4016  53.520    16.406    72.659    29.893    45.271    19.625    21.197  5.2837  17.144  4.2855  4.053061       6.803163 
1 1 1 -15 -6  44 o 17.352  3.6089  47.397    16.865    53.889    30.913    44.646    20.124    17.852  5.7155  16.852  4.4081  1.000801       7.217853 
1 1 1 -15 -6  45 o 16.126  3.5951  40.610    15.967    51.391    30.701    36.612    18.694    17.128  5.7102  15.125  4.3694  2.002890       7.190151 
1 1 1 -15 -5  1  o 173.291 3.4706  4037.41   161.085   4004.96   228.128   4069.67   227.489   172.593 4.9348  173.989 4.8815  -1.396072      6.941220 
1 1 1 -15 -5  2  o 59.512  1.7767  475.231   28.290    498.288   39.872    451.856   40.146    60.969  2.4416  58.055  2.5818  2.913311       3.553431 
1 1 1 -15 -5  3  o 83.885  2.8279  942.040   63.190    836.594   86.632    1061.93   92.373    78.826  4.1175  88.943  3.8774  -10.11687      5.655783 
1 1 1 -15 -5  4  o 78.863  2.4180  820.099   48.226    792.509   58.697    877.412   84.599    76.878  2.8505  80.847  3.9067  -3.969231      4.836079 
1 1 1 -15 -5  5  o 88.715  2.1287  1057.04   50.500    1116.71   71.010    995.983   71.831    91.256  2.9052  86.174  3.1121  5.082054       4.257335 
1 1 1 -15 -5  6  o 89.999  2.1136  1086.20   50.943    1059.61   71.786    1113.17   72.305    88.888  3.0151  91.109  2.9629  -2.220840      4.227279 
1 1 1 -15 -5  7  o 250.606 4.7607  8470.03   319.516   8305.46   451.904   8634.55   451.824   248.155 6.7988  253.058 6.6659  -4.903046      9.521484 
1 1 1 -15 -5  8  o 138.206 2.8650  2564.88   106.046   2532.94   150.473   2596.39   149.476   137.348 4.0902  139.064 4.0130  -1.716385      5.730078 
1 1 1 -15 -5  9  o 91.665  2.1504  1127.03   52.783    1121.95   75.397    1131.91   73.919    91.461  3.0777  91.869  3.0040  -0.4082947     4.300719 
1 1 1 -15 -5  10 f 130.745 2.7226  2294.50   95.340    2318.89   135.721   2270.73   133.960   131.430 3.8553  130.059 3.8454  1.371170       5.445263 
1 1 1 -15 -5  11 o 135.415 2.8654  2463.88   103.864   2381.74   147.628   2544.38   146.154   133.172 4.1387  137.659 3.9639  -4.487686      5.730734 
1 1 1 -15 -5  12 o 234.476 4.5747  7419.02   287.072   7082.88   406.451   7753.60   405.512   229.134 6.6226  239.818 6.3130  -10.68330      9.149458 
1 1 1 -15 -5  13 o 246.619 4.7858  8210.20   316.091   8074.93   447.658   8344.70   446.386   244.574 6.8336  248.663 6.7021  -4.089401      9.571594 
1 1 1 -15 -5  14 o 101.891 2.4191  1394.02   65.983    1358.27   94.067    1428.64   92.578    100.600 3.4910  103.182 3.3498  -2.581627      4.838184 
1 1 1 -15 -5  15 o 62.964  1.9385  531.854   32.672    525.116   46.862    538.228   45.576    62.574  2.7960  63.354  2.6858  -0.7798729     3.877007 
1 1 1 -15 -5  16 o 42.557  1.8757  243.611   21.265    252.726   30.549    235.042   29.618    43.332  2.6447  41.782  2.6604  1.550526       3.751309 
1 1 1 -15 -5  17 o 86.068  2.2313  993.924   51.439    996.033   72.743    991.814   72.748    86.160  3.1521  85.977  3.1590  0.1830368      4.462626 
1 1 1 -15 -5  18 o 61.644  2.0249  510.019   33.407    532.799   47.190    487.134   47.299    63.027  2.7953  60.261  2.9304  2.765926       4.049789 
1 1 1 -15 -5  19 o 184.655 3.7231  4591.90   184.131   4631.80   259.803   4551.64   261.003   185.467 5.2298  183.842 5.3004  1.625504       7.446196 
1 1 1 -15 -5  20 o 161.163 4.7980  3495.42   207.115   0.0000    0.0000    3495.42   207.115   ?       ?       161.163 4.7980  ?              ?        
1 1 1 -15 -5  21 o 96.015  4.7738  1241.13   122.772   1241.13   122.772   0.0000    0.0000    96.015  4.7738  ?       ?       ?              ?        
1 1 1 -15 -5  22 o 48.094  2.0086  311.148   25.744    298.428   35.748    324.850   37.105    47.070  2.8489  49.119  2.8323  -2.048328      4.017206 
1 1 1 -15 -5  23 o 84.614  2.2145  962.271   50.107    949.622   72.707    973.713   69.152    84.076  3.2286  85.151  3.0320  -1.075409      4.429068 
1 1 1 -15 -5  24 o 94.330  2.3119  1195.16   58.370    1220.72   84.511    1171.84   80.715    95.289  3.3112  93.371  3.2274  1.918274       4.623855 
1 1 1 -15 -5  25 o 173.798 3.5452  4087.36   165.006   4094.14   235.586   4080.83   231.182   173.924 5.0571  173.672 4.9698  0.2517548      7.090337 
1 1 1 -15 -5  26 o 113.667 2.5842  1739.30   78.620    1819.92   113.661   1665.33   108.866   116.189 3.6522  111.144 3.6569  5.045280       5.168349 
1 1 1 -15 -5  27 o 40.949  2.0100  231.263   21.433    195.097   31.989    260.727   28.873    37.923  3.1786  43.975  2.4612  -6.052624      4.020029 
1 1 1 -15 -5  28 o 51.793  1.9526  360.065   26.883    386.381   40.264    338.900   36.110    53.486  2.8205  50.100  2.7009  3.385284       3.905131 
1 1 1 -15 -5  29 o 91.743  2.3872  1142.64   58.402    1082.00   85.231    1196.31   80.186    89.390  3.5598  94.097  3.1815  -4.707436      4.774310 
1 1 1 -15 -5  30 o 31.423  2.1005  133.088   17.249    143.889   26.990    125.630   22.427    32.465  3.1432  30.381  2.7872  2.083832       4.200976 
1 1 1 -15 -5  31 o 10.577  2.7824  11.837    10.503    10.921    15.764    12.569    14.085    10.584  4.0238  10.570  3.8440  0.1332188E-01  5.564819 
1 1 1 -15 -5  32 o 23.572  2.3371  75.422    14.112    84.961    22.546    69.278    18.095    24.750  3.4985  22.394  3.0998  2.355822       4.674228 
1 1 1 -15 -5  33 o 98.414  2.5309  1325.01   66.446    1291.95   97.726    1353.44   90.614    97.175  3.7546  99.653  3.3948  -2.477905      5.061819 
1 1 1 -15 -5  34 o 77.129  2.2201  802.827   45.646    897.577   68.658    727.774   61.106    81.162  3.1583  73.097  3.1210  8.064453       4.440195 
1 1 1 -15 -5  35 o 10.345  2.7563  9.2668    10.415    18.091    16.664    3.6094    13.343    12.014  4.2015  8.6761  3.5688  3.337934       5.512610 
1 1 1 -15 -5  36 o 67.227  2.2732  624.579   40.301    596.756   61.372    645.672   53.437    65.710  3.4996  68.744  2.9022  -3.034248      4.546377 
1 1 1 -15 -5  37 o 33.452  2.3460  155.143   20.149    159.129   32.687    152.700   25.588    33.650  3.6870  33.254  2.9019  0.3956146      4.691988 
1 1 1 -15 -5  38 o 21.261  2.8934  59.754    15.577    103.551   26.093    35.503    19.417    26.973  3.7099  15.550  4.4412  11.42346       5.786859 
1 1 1 -15 -5  39 o 39.987  3.8307  228.352   40.527    228.352   40.527    0.0000    0.0000    39.987  3.8307  ?       ?       ?              ?        
1 1 1 -15 -5  40 o 12.051  3.0233  19.483    12.737    4.2184    22.792    26.415    15.359    10.692  4.5479  13.410  3.9848  -2.718284      6.046624 
1 1 1 -15 -5  41 o 37.470  2.3968  192.587   23.023    232.874   38.930    170.916   28.552    40.193  3.6561  34.748  3.1003  5.445042       4.793620 
1 1 1 -15 -5  42 o 19.028  3.3030  57.123    15.984    52.488    28.525    59.245    19.298    18.055  5.4454  20.001  3.7399  -1.945671      6.605952 
1 1 1 -15 -5  43 o 14.300  3.4359  25.844    14.721    46.862    27.541    17.437    17.419    17.035  5.3886  11.566  4.2643  5.468861       6.871733 
1 1 1 -15 -5  44 o 16.543  3.6521  40.377    16.663    58.804    31.156    32.994    19.721    18.564  5.7098  14.522  4.5553  4.042026       7.304233 
1 1 1 -15 -5  45 o 21.606  3.4530  73.850    18.348    86.615    33.204    68.239    22.015    22.301  5.5742  20.912  4.0768  1.388540       6.905948 
1 1 1 -15 -4  1  o 147.048 2.9940  2904.20   117.902   2843.21   166.940   2964.91   166.539   145.503 4.2835  148.593 4.1843  -3.090836      5.988087 
1 1 1 -15 -4  2  o 180.667 3.5316  4388.11   170.868   4295.89   241.726   4480.21   241.562   178.762 5.0484  182.572 4.9398  -3.809265      7.063150 
1 1 1 -15 -4  3  o 120.329 2.6399  1943.42   85.044    1869.23   119.992   2018.29   120.550   118.017 3.7959  122.641 3.6698  -4.623619      5.279838 
1 1 1 -15 -4  4  o 194.987 3.8331  5113.97   200.145   4976.29   282.590   5252.54   283.509   192.344 5.4852  197.630 5.3558  -5.286530      7.666258 
1 1 1 -15 -4  5  o 170.053 3.3601  3885.70   153.027   3807.70   216.179   3964.05   216.648   168.338 4.7945  171.769 4.7089  -3.431427      6.720189 
1 1 1 -15 -4  6  o 143.526 5.8096  2772.31   223.340   0.0000    0.0000    2772.31   223.340   ?       ?       143.526 5.8096  ?              ?        
1 1 1 -15 -4  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -4  8  o 84.384  4.2523  958.596   95.802    958.596   95.802    0.0000    0.0000    84.384  4.2523  ?       ?       ?              ?        
1 1 1 -15 -4  9  o 117.586 2.5726  1856.35   80.983    1807.13   115.279   1904.30   113.790   116.042 3.7089  119.130 3.5661  -3.088493      5.145196 
1 1 1 -15 -4  10 o 70.818  1.9247  672.458   36.490    671.327   52.428    673.521   50.819    70.759  2.7663  70.877  2.6769  -0.1181870     3.849416 
1 1 1 -15 -4  11 o 63.344  1.8328  537.190   31.067    571.241   44.800    505.648   43.118    65.276  2.5624  61.413  2.6213  3.863400       3.665603 
1 1 1 -15 -4  12 o 81.306  2.1296  888.350   46.287    840.841   66.254    933.646   64.693    79.174  3.1242  83.438  2.8947  -4.264336      4.259116 
1 1 1 -15 -4  13 o 206.017 4.0723  5716.13   224.705   5671.98   318.316   5759.98   317.249   205.217 5.7910  206.816 5.7270  -1.598694      8.144585 
1 1 1 -15 -4  14 o 109.818 2.4972  1618.99   73.437    1583.75   104.121   1653.86   103.591   108.626 3.5786  111.010 3.4839  -2.384682      4.994452 
1 1 1 -15 -4  15 o 188.532 3.7576  4784.34   189.744   4730.08   268.208   4838.70   268.471   187.457 5.3417  189.607 5.2863  -2.150085      7.515244 
1 1 1 -15 -4  16 o 78.065  2.1473  818.573   44.815    875.347   63.347    761.689   63.409    80.783  2.9277  75.347  3.1419  5.435791       4.294517 
1 1 1 -15 -4  17 o 216.384 4.2657  6313.59   247.220   6376.27   349.012   6250.47   350.234   217.472 5.9917  215.296 6.0734  2.175629       8.531497 
1 1 1 -15 -4  18 o 106.868 2.5216  1533.14   72.175    1527.05   101.323   1539.42   102.834   106.654 3.5468  107.082 3.5853  -0.4283066     5.043284 
1 1 1 -15 -4  19 o 206.002 4.0843  5720.84   225.355   5735.88   317.598   5705.58   319.814   206.282 5.7481  205.723 5.8040  0.5584717      8.168675 
1 1 1 -15 -4  20 o 190.178 3.7904  4875.38   192.972   4734.13   274.469   5013.44   271.363   187.430 5.4672  192.926 5.2514  -5.496231      7.580724 
1 1 1 -15 -4  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -4  22 o 95.578  2.3152  1224.92   59.227    1284.38   85.643    1170.42   81.995    97.798  3.2694  93.358  3.2790  4.440010       4.630483 
1 1 1 -15 -4  23 o 98.290  2.3967  1299.62   62.997    1268.93   91.062    1327.80   87.244    97.165  3.4989  99.415  3.2764  -2.250084      4.793442 
1 1 1 -15 -4  24 o 245.220 4.8147  8186.38   316.106   7973.33   449.156   8395.46   444.955   241.988 6.9297  248.452 6.6863  -6.463943      9.629496 
1 1 1 -15 -4  25 o 89.954  2.3243  1094.10   55.706    1008.25   80.835    1171.74   76.875    86.551  3.4869  93.356  3.0743  -6.805283      4.648653 
1 1 1 -15 -4  26 o 59.901  2.0066  482.327   32.084    483.810   47.416    481.073   43.573    59.976  2.9516  59.825  2.7192  0.1505280      4.013255 
1 1 1 -15 -4  27 o 54.382  2.0452  406.103   29.136    342.208   43.156    459.618   39.495    50.293  3.2206  58.472  2.5218  -8.179005      4.090424 
1 1 1 -15 -4  28 o 66.124  2.0565  585.461   36.302    637.406   54.075    542.845   48.979    68.774  2.9355  63.475  2.8808  5.298805       4.112975 
1 1 1 -15 -4  29 o 121.828 2.7738  2014.69   90.410    2014.76   130.988   2014.62   124.944   121.791 4.0154  121.865 3.8278  -0.7372284E-01 5.547529 
1 1 1 -15 -4  30 o 37.722  2.0819  197.199   20.311    173.562   31.308    214.376   26.690    35.646  3.3173  39.799  2.5167  -4.153339      4.163891 
1 1 1 -15 -4  31 o 60.943  2.1110  505.080   34.093    490.220   51.236    516.887   45.672    60.047  3.1972  61.839  2.7573  -1.792896      4.221960 
1 1 1 -15 -4  32 o 71.953  2.2402  708.133   42.733    659.146   63.800    747.992   57.550    69.597  3.4225  74.308  2.8915  -4.711029      4.480392 
1 1 1 -15 -4  33 o 23.654  2.4487  75.714    14.809    89.981    23.711    66.590    18.962    25.436  3.5793  21.872  3.3427  3.563135       4.897485 
1 1 1 -15 -4  34 o 19.295  2.7859  50.432    13.530    64.300    22.650    42.739    16.870    21.257  4.1269  17.332  3.7434  3.924393       5.571778 
1 1 1 -15 -4  35 o 30.622  2.4718  136.929   18.564    105.822   29.618    157.058   23.825    27.342  4.1767  33.902  2.6447  -6.560154      4.943589 
1 1 1 -15 -4  36 o 38.566  2.1962  200.525   22.142    231.108   35.316    180.717   28.421    40.896  3.2508  36.236  2.9540  4.659801       4.392488 
1 1 1 -15 -4  37 o 7.7804  2.4381  -3.7766   9.9956    -16.2252  17.933    1.8336    12.039    7.5937  3.5501  7.9672  3.3427  -0.3735003     4.876159 
1 1 1 -15 -4  38 o 63.356  2.3178  557.900   38.596    560.082   60.195    556.377   50.296    63.207  3.5702  63.504  2.9569  -0.2973747     4.635650 
1 1 1 -15 -4  39 o 10.908  3.0019  9.0479    11.874    21.781    21.688    3.5972    14.190    13.038  4.7656  8.7781  3.6518  4.259644       6.003850 
1 1 1 -15 -4  40 o 34.901  2.5112  172.033   22.282    182.945   37.201    165.929   27.825    35.476  3.9839  34.327  3.0584  1.148548       5.022416 
1 1 1 -15 -4  41 o 25.058  2.8880  86.260    17.952    120.374   31.355    69.623    21.896    28.435  4.2470  21.680  3.9147  6.755053       5.776011 
1 1 1 -15 -4  42 o 18.146  3.3278  55.599    16.571    33.732    29.372    65.809    20.071    15.164  5.5455  21.129  3.6802  -5.964350      6.655558 
1 1 1 -15 -4  43 o 27.650  3.0592  112.227   20.653    128.048   36.551    104.807   25.032    28.561  4.9577  26.739  3.5854  1.821260       6.118335 
1 1 1 -15 -4  44 o 14.066  3.4995  22.878    15.581    52.035    29.310    11.393    18.395    17.539  5.5601  10.593  4.2511  6.946603       6.999059 
1 1 1 -15 -4  45 o 26.221  3.7299  104.562   25.458    0.0000    0.0000    104.562   25.458    ?       ?       26.221  3.7299  ?              ?        
1 1 1 -15 -3  1  o 215.868 4.1930  6273.19   242.374   6111.96   342.873   6434.22   342.663   213.081 6.0076  218.655 5.8509  -5.574188      8.385921 
1 1 1 -15 -3  2  o 265.866 5.0684  9535.40   360.863   9324.19   510.342   9746.60   510.334   262.900 7.2474  268.831 7.0874  -5.931702      10.13685 
1 1 1 -15 -3  3  o 171.729 3.4443  3963.61   158.337   3803.95   223.661   4124.02   224.186   168.250 4.9630  175.207 4.7771  -6.957291      6.888583 
1 1 1 -15 -3  4  o 235.898 4.5482  7500.85   286.979   7039.96   405.526   7963.20   406.173   228.593 6.6232  243.203 6.2352  -14.60954      9.096416 
1 1 1 -15 -3  5  o 86.021  2.0742  992.101   47.785    1012.96   67.836    971.555   67.323    86.919  2.9138  85.123  2.9528  1.796326       4.148375 
1 1 1 -15 -3  6  o 262.365 4.9577  9282.27   348.337   9102.74   493.160   9461.01   492.088   259.814 7.0866  264.916 6.9350  -5.101990      9.915312 
1 1 1 -15 -3  7  o 314.890 5.9350  13411.62  500.487   13142.77  708.291   13679.71  707.303   311.704 8.4836  318.075 8.3021  -6.370575      11.86995 
1 1 1 -15 -3  8  o 209.023 5.7556  5914.04   321.758   5583.00   457.125   6239.09   452.971   203.155 8.4008  214.892 7.8698  -11.73668      11.51112 
1 1 1 -15 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -3  10 o 145.030 3.0223  2825.19   117.381   2783.68   166.757   2865.95   165.258   143.969 4.3244  146.091 4.2233  -2.121643      6.044545 
1 1 1 -15 -3  11 o 253.967 4.8466  8701.06   329.674   8797.36   466.956   8605.34   465.507   255.375 6.8267  252.558 6.8814  2.817032       9.693117 
1 1 1 -15 -3  12 o 137.218 2.9244  2528.74   107.440   2620.18   152.464   2438.54   151.427   139.687 4.0749  134.748 4.1956  4.939621       5.848769 
1 1 1 -15 -3  13 o 119.884 2.6619  1929.47   85.468    1903.40   120.990   1955.44   120.751   119.074 3.7935  120.695 3.7352  -1.621140      5.323755 
1 1 1 -15 -3  14 o 123.979 2.7087  2064.43   89.909    2131.30   126.978   1997.19   127.324   125.998 3.7625  121.959 3.8977  4.039467       5.417414 
1 1 1 -15 -3  15 o 156.971 3.1948  3311.76   134.302   3230.68   189.238   3394.03   190.632   155.031 4.5572  158.912 4.4787  -3.880905      6.389608 
1 1 1 -15 -3  16 f 207.043 4.0882  5776.22   226.703   5815.64   319.799   5736.41   321.421   207.761 5.7468  206.326 5.8161  1.435211       8.176337 
1 1 1 -15 -3  17 o 159.334 3.2392  3413.21   138.057   3652.70   196.988   3182.02   193.543   164.843 4.4615  153.826 4.6974  11.01767       6.478476 
1 1 1 -15 -3  18 f 250.719 4.8366  8495.07   324.738   8350.31   460.695   8638.03   457.816   248.570 6.9195  252.868 6.7594  -4.298431      9.673102 
1 1 1 -15 -3  19 o 230.918 4.5839  7224.13   282.215   6453.16   400.075   7987.73   398.157   218.508 6.8357  243.328 6.1090  -24.81976      9.167739 
1 1 1 -15 -3  20 o 85.789  2.2069  988.400   50.645    971.424   73.157    1004.02   70.182    85.076  3.2104  86.502  3.0291  -1.425911      4.413844 
1 1 1 -15 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -3  22 o 202.665 4.0148  5545.24   217.920   5570.93   310.306   5520.24   306.108   203.120 5.7036  202.209 5.6518  0.9113464      8.029541 
1 1 1 -15 -3  23 f 25.666  2.1681  91.798    14.198    77.007    21.393    103.443   18.982    23.689  3.4749  27.644  2.5939  -3.955307      4.336246 
1 1 1 -15 -3  24 o 39.947  1.9847  218.049   20.759    196.839   31.298    234.710   27.740    38.150  3.0894  41.744  2.4923  -3.593956      3.969373 
1 1 1 -15 -3  25 o 82.995  2.2207  925.738   49.270    934.657   72.112    917.930   67.475    83.360  3.2297  82.630  3.0487  0.7299500      4.441301 
1 1 1 -15 -3  26 o 54.737  2.0277  406.763   29.339    377.110   43.796    430.903   39.516    52.847  3.1077  56.627  2.6053  -3.780136      4.055299 
1 1 1 -15 -3  27 o 67.800  2.1010  621.370   37.917    593.866   56.114    644.479   51.436    66.391  3.1555  69.209  2.7747  -2.818298      4.201941 
1 1 1 -15 -3  28 o 117.100 2.7123  1857.22   84.948    1840.61   123.159   1872.29   117.322   116.563 3.9447  117.635 3.7235  -1.072128      5.424512 
1 1 1 -15 -3  29 o 29.738  2.0891  119.784   16.193    124.829   25.274    116.272   21.090    30.233  3.1682  29.243  2.7238  0.9895935      4.178114 
1 1 1 -15 -3  30 o 65.366  2.8187  577.094   49.351    0.0000    0.0000    577.094   49.351    ?       ?       65.366  2.8187  ?              ?        
1 1 1 -15 -3  31 o 60.786  2.1081  502.351   33.938    490.033   51.207    512.000   45.321    60.029  3.1963  61.543  2.7494  -1.514305      4.216121 
1 1 1 -15 -3  32 o 17.734  2.7498  47.551    12.655    30.320    20.018    59.022    16.333    14.821  4.5798  20.647  3.0447  -5.825747      5.499508 
1 1 1 -15 -3  33 o 18.764  2.7036  48.285    12.841    57.758    20.990    42.618    16.234    20.175  4.0253  17.353  3.6103  2.822283       5.407108 
1 1 1 -15 -3  34 o 42.800  2.1284  250.147   23.819    252.612   37.371    248.460   30.912    42.896  3.2774  42.704  2.7166  0.1920929      4.256888 
1 1 1 -15 -3  35 o 35.763  2.2024  173.474   20.576    190.722   32.550    161.994   26.556    37.171  3.3037  34.354  2.9134  2.817905       4.404832 
1 1 1 -15 -3  36 o 38.891  2.3502  215.801   23.233    182.018   36.496    238.820   30.125    36.020  3.8420  41.761  2.7078  -5.740608      4.700344 
1 1 1 -15 -3  37 o 40.108  2.2882  223.507   23.720    223.341   38.060    223.612   30.331    39.927  3.5976  40.289  2.8286  -0.3627205     4.576366 
1 1 1 -15 -3  38 o 16.194  3.9487  38.451    16.974    0.0000    0.0000    38.451    16.974    ?       ?       16.194  3.9487  ?              ?        
1 1 1 -15 -3  39 o 14.337  2.7782  14.984    12.415    65.015    23.505    -4.3765   14.621    20.893  4.3419  7.7807  3.4671  13.11240       5.556358 
1 1 1 -15 -3  40 o 11.300  2.9479  14.041    13.316    -11.7221  23.478    26.260    16.168    9.2282  4.2239  13.373  4.1132  -4.144264      5.895780 
1 1 1 -15 -3  41 o 19.671  3.3004  60.716    16.400    55.783    28.891    63.062    19.921    18.655  5.4442  20.687  3.7326  -2.032312      6.600841 
1 1 1 -15 -3  42 o 32.286  3.0721  167.539   22.770    124.194   39.107    189.770   28.007    27.886  5.4310  36.685  2.8733  -8.798149      6.144250 
1 1 1 -15 -3  43 o 15.672  3.3941  41.070    16.899    15.610    30.066    52.829    20.433    12.819  5.3226  18.526  4.2130  -5.706889      6.788205 
1 1 1 -15 -3  44 o 19.028  3.4248  65.708    18.139    35.251    32.833    79.087    21.761    15.086  5.7899  22.969  3.6599  -7.883028      6.849642 
1 1 1 -15 -2  1  o 172.878 3.4941  4015.76   161.786   3968.13   228.926   4063.28   228.673   171.850 4.9734  173.905 4.9092  -2.055496      6.988243 
1 1 1 -15 -2  2  o 244.059 4.6955  8022.89   306.945   7996.97   434.272   8048.76   433.899   243.662 6.6540  244.456 6.6267  -0.7934113     9.390940 
1 1 1 -15 -2  3  o 154.948 3.1921  3226.49   132.324   3051.30   187.340   3400.91   186.930   150.735 4.6401  159.160 4.3849  -8.424606      6.384143 
1 1 1 -15 -2  4  o 247.990 4.7207  8283.14   313.558   8232.04   443.817   8334.07   443.061   247.221 6.7024  248.759 6.6496  -1.538528      9.441364 
1 1 1 -15 -2  5  o 69.983  1.8744  656.872   35.115    641.169   50.122    672.009   49.211    69.160  2.7058  70.806  2.5948  -1.646454      3.748874 
1 1 1 -15 -2  6  o 86.782  2.0789  1009.68   48.317    1012.94   68.876    1006.53   67.798    86.919  2.9585  86.645  2.9214  0.2743759      4.157752 
1 1 1 -15 -2  7  o 248.377 4.7497  8311.64   315.987   8336.67   447.562   8286.77   446.186   248.750 6.7174  248.005 6.7169  0.7453461      9.499470 
1 1 1 -15 -2  8  o 193.894 3.8019  5054.89   197.414   5177.65   280.025   4933.59   278.354   196.241 5.3274  191.546 5.4254  4.694626       7.603738 
1 1 1 -15 -2  9  o 438.648 8.4968  26299.09  998.292   26167.93  1412.29   26430.07  1411.31   437.529 12.051  439.767 11.981  -2.237335      16.99367 
1 1 1 -15 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -2  11 o 154.343 3.2085  3200.79   132.619   3139.28   187.718   3262.07   187.385   152.858 4.5849  155.829 4.4895  -2.971069      6.416913 
1 1 1 -15 -2  12 o 115.974 2.5795  1805.43   80.109    1850.07   113.205   1760.65   113.378   117.413 3.5996  114.534 3.6958  2.879097       5.159083 
1 1 1 -15 -2  13 o 156.676 3.2335  3299.62   135.659   3374.80   191.440   3223.78   192.265   158.477 4.5100  154.876 4.6348  3.601151       6.466933 
1 1 1 -15 -2  14 o 250.873 4.7745  8494.40   320.788   8673.05   455.272   8318.26   452.070   253.506 6.7049  248.240 6.7990  5.266037       9.548934 
1 1 1 -15 -2  15 o 269.583 5.1470  9824.17   371.630   9969.74   527.111   9680.30   524.032   271.580 7.2463  267.586 7.3115  3.993683       10.29399 
1 1 1 -15 -2  16 o 104.193 2.4055  1457.10   67.107    1452.58   96.156    1461.40   93.698    104.032 3.4508  104.354 3.3522  -0.3214798     4.810968 
1 1 1 -15 -2  17 o 125.673 2.7410  2123.69   92.153    2036.42   131.643   2207.56   129.044   123.128 3.9917  128.219 3.7575  -5.091263      5.481975 
1 1 1 -15 -2  18 o 32.531  2.1157  148.349   17.374    103.909   25.159    188.867   24.023    27.606  3.4798  37.455  2.4073  -9.849625      4.231345 
1 1 1 -15 -2  19 o 220.320 4.3056  6547.93   254.072   6611.63   361.224   6485.55   357.431   221.380 6.0918  219.260 6.0862  2.119522       8.611156 
1 1 1 -15 -2  20 o 68.676  2.0271  632.020   37.233    645.099   54.364    620.464   51.099    69.342  2.9271  68.010  2.8051  1.331902       4.054179 
1 1 1 -15 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -2  22 o 145.785 3.0958  2862.53   120.779   2788.34   172.986   2933.10   168.709   143.922 4.4874  147.647 4.2660  -3.724930      6.191579 
1 1 1 -15 -2  23 o 32.467  2.0159  144.271   17.095    130.084   25.590    155.705   22.974    30.965  3.1283  33.970  2.5434  -3.005482      4.031720 
1 1 1 -15 -2  24 o 42.529  1.9712  245.179   22.124    233.652   33.146    254.442   29.711    41.596  2.9951  43.462  2.5636  -1.865719      3.942427 
1 1 1 -15 -2  25 o 44.406  1.9962  263.673   23.473    286.820   35.694    246.035   31.159    46.105  2.9053  42.707  2.7383  3.398350       3.992371 
1 1 1 -15 -2  26 o 52.422  1.9801  368.371   27.572    392.235   41.490    349.496   36.898    53.928  2.8828  50.917  2.7153  3.010471       3.960229 
1 1 1 -15 -2  27 o 109.881 2.6230  1634.11   76.992    1577.36   111.841   1685.23   106.148   108.024 3.8654  111.738 3.5467  -3.714127      5.245960 
1 1 1 -15 -2  28 o 75.529  2.1925  772.745   44.090    736.232   65.089    803.703   59.934    73.839  3.2911  77.219  2.8977  -3.380707      4.384969 
1 1 1 -15 -2  29 o 42.225  1.9940  240.279   22.196    250.583   34.180    232.765   29.188    42.977  2.9878  41.473  2.6413  1.503780       3.987938 
1 1 1 -15 -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -2  31 o 70.849  2.1565  675.296   40.723    728.872   61.412    633.247   54.405    73.318  3.1272  68.380  2.9704  4.937416       4.313100 
1 1 1 -15 -2  32 o 25.874  2.4762  96.646    15.743    78.579    25.286    108.082   20.118    23.611  4.1498  28.136  2.7028  -4.525463      4.952318 
1 1 1 -15 -2  33 o 7.4836  2.3577  -4.6115   9.3964    -8.6385   15.303    -2.1742   11.905    7.6167  3.4568  7.3505  3.2071  0.2662544      4.715437 
1 1 1 -15 -2  34 o 62.844  2.1924  536.863   36.450    554.948   56.080    523.634   47.962    63.643  3.3011  62.046  2.8860  1.597500       4.384782 
1 1 1 -15 -2  35 o 43.582  2.1802  259.481   24.837    268.570   39.219    253.395   32.093    44.123  3.3434  43.041  2.7991  1.081966       4.360359 
1 1 1 -15 -2  36 f 9.7270  2.7696  -0.1111   11.253    18.937    19.370    -9.8156   13.826    12.470  4.5120  6.9842  3.2132  5.485739       5.539184 
1 1 1 -15 -2  37 o 34.745  2.4104  166.427   21.456    179.232   35.437    159.016   26.960    35.628  3.7707  33.862  3.0036  1.765903       4.820733 
1 1 1 -15 -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -2  39 o 47.173  2.3877  315.556   28.963    308.655   46.946    319.797   36.801    46.424  3.8090  47.923  2.8804  -1.499401      4.775481 
1 1 1 -15 -2  40 o 13.668  3.2644  26.769    13.542    24.729    24.918    27.624    16.132    13.680  5.0891  13.656  4.0897  0.2398014E-01  6.528783 
1 1 1 -15 -2  41 o 57.407  2.4944  475.998   36.938    457.565   59.303    487.683   47.216    55.971  3.9817  58.843  3.0057  -2.872375      4.988798 
1 1 1 -15 -2  42 o 29.120  2.7701  114.894   19.993    161.948   35.884    93.712    24.076    32.963  4.1567  25.277  3.6628  7.685905       5.540250 
1 1 1 -15 -2  43 o 21.035  3.5351  67.308    18.401    83.113    33.641    60.561    21.980    22.270  5.6352  19.800  4.2701  2.470604       7.070286 
1 1 1 -15 -2  44 o 11.851  3.2572  10.133    13.940    37.347    26.841    0.0805    16.313    15.132  5.3297  8.5690  3.7461  6.563146       6.514472 
1 1 1 -15 -1  1  o 167.220 3.3559  3756.28   150.261   3646.00   212.591   3866.38   212.410   164.760 4.8173  169.681 4.6736  -4.920609      6.711868 
1 1 1 -15 -1  2  o 96.735  2.2659  1254.75   58.704    1256.72   83.664    1252.83   82.391    96.809  3.2265  96.660  3.1823  0.1485672      4.531854 
1 1 1 -15 -1  3  o 249.012 4.7848  8354.25   318.924   8018.62   451.569   8688.28   450.487   243.990 6.9098  254.033 6.6207  -10.04361      9.569654 
1 1 1 -15 -1  4  o 208.232 4.0131  5830.38   223.759   6006.72   316.919   5655.10   315.970   211.382 5.5975  205.081 5.7522  6.301804       8.026149 
1 1 1 -15 -1  5  o 122.182 2.6561  2002.81   86.920    1992.08   123.351   2013.38   122.500   121.856 3.7793  122.508 3.7332  -0.6522293     5.312222 
1 1 1 -15 -1  6  o 139.095 2.9027  2596.53   108.139   2595.09   153.514   2597.95   152.355   139.055 4.1217  139.134 4.0882  -0.7904053E-01 5.805301 
1 1 1 -15 -1  7  o 88.775  2.1973  1056.83   52.238    1053.73   74.584    1059.82   73.188    88.646  3.1412  88.904  3.0735  -0.2580109     4.394690 
1 1 1 -15 -1  8  o 209.928 4.0420  5928.10   227.228   6086.12   322.090   5771.52   320.613   212.723 5.6529  207.132 5.7789  5.590714       8.084023 
1 1 1 -15 -1  9  o 360.722 6.8769  17656.67  664.442   17666.29  939.961   17647.05  939.363   360.820 9.7259  360.624 9.7250  0.1960754      13.75387 
1 1 1 -15 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -1  11 o 69.642  1.9525  654.084   36.208    593.899   52.367    709.212   50.119    66.549  2.9379  72.734  2.5726  -6.185402      3.905032 
1 1 1 -15 -1  12 o 147.971 3.0402  2942.68   120.135   3241.09   171.508   2655.23   168.331   155.357 4.1216  140.584 4.4703  14.77388       6.080388 
1 1 1 -15 -1  13 o 164.367 3.3454  3632.94   147.226   3547.81   209.370   3716.21   207.068   162.451 4.8118  166.282 4.6492  -3.831726      6.690883 
1 1 1 -15 -1  14 f 167.211 3.3999  3761.34   152.188   3648.70   216.365   3871.64   214.106   164.719 4.9040  169.704 4.7103  -4.984726      6.799743 
1 1 1 -15 -1  15 o 82.966  2.1186  923.567   47.047    916.601   67.663    930.087   65.461    82.661  3.0561  83.272  2.9349  -0.6112442     4.237122 
1 1 1 -15 -1  16 o 150.345 3.1281  3039.75   125.897   2960.35   179.409   3116.78   176.713   148.398 4.5136  152.291 4.3322  -3.892761      6.256243 
1 1 1 -15 -1  17 o 190.317 3.7726  4876.16   192.247   5056.72   273.703   4700.34   270.091   193.806 5.2726  186.828 5.3973  6.977539       7.545284 
1 1 1 -15 -1  18 o 111.180 2.5597  1663.34   76.055    1572.18   109.132   1749.41   106.050   108.200 3.7656  114.160 3.4682  -5.959480      5.119399 
1 1 1 -15 -1  19 o 219.361 4.2539  6490.01   249.862   6719.50   355.575   6266.15   351.184   223.209 5.9474  215.513 6.0838  7.696121       8.507881 
1 1 1 -15 -1  20 o 192.552 3.8320  4996.26   197.614   5001.56   281.555   4991.12   277.428   192.645 5.4565  192.460 5.3817  0.1846924      7.663982 
1 1 1 -15 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -1  22 o 74.996  2.1249  756.143   42.564    738.640   62.169    771.587   58.397    74.171  3.1293  75.822  2.8755  -1.651176      4.249833 
1 1 1 -15 -1  23 o 106.863 2.5080  1532.67   71.726    1605.32   104.006   1466.79   99.047    109.272 3.5535  104.453 3.5402  4.819565       5.016049 
1 1 1 -15 -1  24 o 18.359  2.6033  47.814    12.175    41.892    18.846    52.056    15.951    17.289  4.1269  19.430  3.1746  -2.141407      5.206658 
1 1 1 -15 -1  25 o 169.439 3.5200  3890.07   159.604   3785.80   228.619   3989.20   222.918   167.175 5.1057  171.704 4.8470  -4.528336      7.039993 
1 1 1 -15 -1  26 o 78.734  2.2221  837.247   46.623    804.305   68.700    865.371   63.478    77.269  3.3194  80.198  2.9551  -2.928299      4.444237 
1 1 1 -15 -1  27 o 30.136  2.1995  128.574   16.699    99.242    25.416    150.854   22.152    26.871  3.6238  33.402  2.4939  -6.531717      4.399036 
1 1 1 -15 -1  28 o 83.109  2.2769  932.765   50.520    932.277   74.500    933.181   68.740    83.061  3.3486  83.157  3.0862  -0.9613800E-01 4.553893 
1 1 1 -15 -1  29 o 61.661  2.1558  520.431   35.033    469.141   52.368    561.980   47.134    58.777  3.3402  64.546  2.7263  -5.769020      4.311539 
1 1 1 -15 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -1  31 o 90.113  2.3705  1096.43   57.024    1199.14   84.906    1012.03   76.965    93.924  3.3750  86.303  3.3295  7.621483       4.740917 
1 1 1 -15 -1  32 o 13.322  2.8145  25.316    11.537    10.339    18.800    34.362    14.612    11.075  4.3450  15.570  3.5787  -4.494476      5.629022 
1 1 1 -15 -1  33 o 38.371  2.1463  198.421   21.610    220.283   33.891    183.443   28.053    40.096  3.1819  36.646  2.8812  3.450016       4.292518 
1 1 1 -15 -1  34 o 67.345  2.2083  613.534   39.488    659.433   60.743    579.941   51.967    69.448  3.2655  65.242  2.9738  4.206047       4.416646 
1 1 1 -15 -1  35 o 42.079  2.2179  243.600   24.146    244.534   38.854    243.013   30.820    42.011  3.4843  42.146  2.7451  -0.1348915     4.435764 
1 1 1 -15 -1  36 o 13.728  3.1562  25.190    12.657    29.118    22.331    23.330    15.363    14.550  4.8702  12.906  4.0160  1.644183       6.312466 
1 1 1 -15 -1  37 o 73.807  2.3982  753.611   46.849    779.745   72.485    734.862   61.395    74.713  3.6221  72.902  3.1442  1.810318       4.796414 
1 1 1 -15 -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 -1  39 o 50.856  2.2979  351.771   30.509    430.971   49.587    303.530   38.701    55.224  3.3685  46.487  3.1263  8.736950       4.595703 
1 1 1 -15 -1  40 o 30.638  2.6321  122.859   20.039    186.273   35.838    94.016    24.170    35.841  3.7907  25.435  3.6527  10.40639       5.264201 
1 1 1 -15 -1  41 o 16.130  3.4086  34.922    14.902    58.096    27.786    25.564    17.656    19.055  5.2679  13.205  4.3269  5.850336       6.817114 
1 1 1 -15 -1  42 o 14.294  3.0454  33.756    15.061    -8.1378   29.456    48.586    17.526    10.570  4.7968  18.017  3.7534  -7.447339      6.090709 
1 1 1 -15 -1  43 o 32.587  2.8593  152.726   23.169    183.933   40.887    137.967   28.119    34.498  4.5349  30.676  3.4840  3.821154       5.718652 
1 1 1 -15 -1  44 o 10.923  3.2280  11.140    14.863    1.4518    29.427    14.458    17.221    11.042  4.9198  10.803  4.1805  0.2397079      6.456038 
1 1 1 -15 0   1  o 154.682 3.1396  3211.52   130.073   3242.82   185.034   3180.95   182.886   155.427 4.4446  153.938 4.4355  1.489029       6.279240 
1 1 1 -15 0   2  o 163.875 3.3215  3606.53   145.759   3549.73   207.174   3662.20   205.111   162.592 4.7572  165.158 4.6366  -2.566681      6.642932 
1 1 1 -15 0   3  o 201.539 3.9321  5459.28   212.253   5421.75   300.548   5496.62   299.797   200.844 5.5868  202.233 5.5346  -1.388870      7.864117 
1 1 1 -15 0   4  o 206.975 4.0087  5758.64   222.227   5717.69   314.441   5799.50   314.110   206.236 5.6923  207.713 5.6459  -1.476486      8.017330 
1 1 1 -15 0   5  f 203.878 4.0282  5588.21   219.966   5552.98   311.389   5623.31   310.769   203.233 5.7203  204.522 5.6729  -1.289459      8.056317 
1 1 1 -15 0   6  o 270.596 5.2885  9872.87   383.291   9967.33   542.554   9778.75   541.559   271.895 7.4499  269.297 7.5080  2.598541       10.57695 
1 1 1 -15 0   7  o 152.594 3.1383  3134.41   127.917   2917.84   182.940   3341.58   178.930   147.406 4.6335  157.782 4.2339  -10.37601      6.276502 
1 1 1 -15 0   8  o 39.423  1.9422  228.371   18.243    124.023   26.936    316.800   24.796    30.220  3.3859  48.625  1.9039  -18.40464      3.884441 
1 1 1 -15 0   9  f 88.869  2.1456  1057.77   50.870    1192.68   73.439    933.335   70.532    94.315  2.9071  83.424  3.1565  10.89078       4.291231 
1 1 1 -15 0   10 o 57.530  2.7876  519.531   35.446    295.601   62.098    627.751   43.170    46.624  5.0535  68.437  2.3551  -21.81271      5.575285 
1 1 1 -15 0   11 o 138.021 4.0862  2562.61   151.005   2622.98   217.182   2506.12   210.102   139.590 5.8087  136.452 5.7486  3.137756       8.172358 
1 1 1 -15 0   12 o 109.837 2.4630  1618.62   72.451    1628.82   103.485   1608.83   101.468   110.175 3.5068  109.499 3.4596  0.6753311      4.926095 
1 1 1 -15 0   13 o 142.175 2.9808  2715.05   113.504   2720.50   161.705   2709.77   159.358   142.313 4.2422  142.038 4.1887  0.2756348      5.961673 
1 1 1 -15 0   14 o 246.246 4.7616  8188.18   313.901   7922.19   445.127   8451.31   442.729   242.230 6.8607  250.262 6.6047  -8.032776      9.523192 
1 1 1 -15 0   15 o 179.204 3.5944  4321.71   172.493   4266.50   245.433   4375.60   242.479   178.063 5.1460  180.346 5.0197  -2.283066      7.188811 
1 1 1 -15 0   16 o 146.969 3.0591  2901.80   120.396   2989.50   171.938   2817.44   168.641   149.150 4.3039  144.789 4.3485  4.360916       6.118227 
1 1 1 -15 0   17 o 262.378 4.9954  9311.35   350.597   9917.87   498.169   8716.13   493.502   270.916 6.8652  253.840 7.2584  17.07652       9.990753 
1 1 1 -15 0   18 o 128.091 2.8401  2210.00   97.180    2061.94   139.078   2351.25   135.846   123.870 4.1918  132.312 3.8332  -8.441719      5.680188 
1 1 1 -15 0   19 o 81.352  2.1791  888.247   47.411    884.230   68.885    891.862   65.353    81.173  3.1683  81.532  2.9926  -0.3584976     4.358184 
1 1 1 -15 0   20 o 68.439  2.0502  628.318   37.500    630.122   54.921    626.743   51.327    68.527  2.9922  68.351  2.8035  0.1758957      4.100375 
1 1 1 -15 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 0   22 o 51.074  1.9403  348.708   26.353    382.198   39.264    321.254   35.551    53.295  2.7600  48.852  2.7278  4.442940       3.880543 
1 1 1 -15 0   23 o 72.167  2.1346  702.819   41.029    661.155   60.195    738.970   56.071    70.147  3.2038  74.187  2.8218  -4.040520      4.269279 
1 1 1 -15 0   24 o 42.831  1.9503  244.303   22.112    279.474   33.562    217.326   29.394    45.531  2.7651  40.131  2.7512  5.400085       3.900583 
1 1 1 -15 0   25 f 111.583 2.6493  1681.61   78.984    1620.91   114.501   1736.70   109.096   109.628 3.8994  113.538 3.5874  -3.909416      5.298547 
1 1 1 -15 0   26 o 95.091  2.3695  1214.22   60.239    1308.69   88.273    1131.88   82.411    98.542  3.3444  91.641  3.3574  6.900528       4.738921 
1 1 1 -15 0   27 o 31.664  2.1273  139.989   17.262    115.481   26.160    158.891   22.975    29.050  3.4281  34.278  2.5200  -5.227669      4.254663 
1 1 1 -15 0   28 o 61.449  2.1122  512.375   34.396    492.119   51.534    528.647   46.190    60.273  3.2037  62.626  2.7536  -2.353466      4.224442 
1 1 1 -15 0   29 o 58.034  2.1327  462.096   32.515    414.089   48.998    499.868   43.463    55.196  3.3299  60.873  2.6657  -5.677090      4.265430 
1 1 1 -15 0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 0   31 o 79.504  2.2665  852.831   48.067    919.399   72.073    799.505   64.508    82.257  3.2712  76.751  3.1379  5.506516       4.532925 
1 1 1 -15 0   32 o 17.191  2.7899  41.389    12.298    45.152    19.981    39.094    15.604    17.771  4.2542  16.610  3.6104  1.160999       5.579755 
1 1 1 -15 0   33 o 53.958  2.1997  399.878   31.180    385.046   47.891    410.791   41.079    52.982  3.3926  54.935  2.8011  -1.953548      4.399495 
1 1 1 -15 0   34 o 71.428  2.2944  697.116   43.500    705.891   66.256    690.467   57.670    71.724  3.4488  71.132  3.0269  0.5914917      4.588718 
1 1 1 -15 0   35 o 35.883  2.2275  172.224   20.814    210.102   33.495    148.397   26.565    38.986  3.2368  32.780  3.0610  6.206215       4.454969 
1 1 1 -15 0   36 o 51.477  2.3175  370.638   30.865    352.129   49.127    382.708   39.672    50.175  3.6812  52.779  2.8165  -2.604195      4.635034 
1 1 1 -15 0   37 o 45.599  2.2705  284.097   26.976    316.973   43.647    263.775   34.315    47.566  3.4493  43.632  2.9537  3.934254       4.541088 
1 1 1 -15 0   38 o 48.329  2.3299  321.759   29.374    359.940   47.418    297.982   37.419    50.453  3.5311  46.206  3.0405  4.246803       4.659752 
1 1 1 -15 0   39 o 16.507  3.1207  32.717    14.347    71.314    25.817    15.473    17.256    21.683  4.5883  11.332  4.2312  10.35138       6.241456 
1 1 1 -15 0   40 o 15.259  3.1188  21.778    14.118    70.051    27.056    3.7179    16.549    21.236  4.8615  9.2817  3.9080  11.95464       6.237533 
1 1 1 -15 0   41 o 37.767  2.7281  214.372   25.331    188.296   42.312    228.939   31.625    35.263  4.5884  40.270  2.9525  -5.007225      5.456282 
1 1 1 -15 0   42 o 28.735  3.1891  131.270   21.656    111.247   37.334    141.424   26.585    26.111  5.5113  31.358  3.2105  -5.247305      6.378188 
1 1 1 -15 0   43 o 12.927  3.4897  16.314    15.492    42.077    30.016    6.9581    18.088    15.969  5.6348  9.8845  4.1184  6.084435       6.979419 
1 1 1 -15 1   1  o 322.948 7.5205  14164.24  612.005   14093.72  1061.69   14199.33  748.964   321.644 12.323  324.251 8.6236  -2.606445      15.04109 
1 1 1 -15 1   2  o 234.600 4.5610  7405.10   286.598   7416.32   406.005   7393.96   404.620   234.776 6.4564  234.424 6.4440  0.3521423      9.121957 
1 1 1 -15 1   3  o 184.214 3.6561  4571.05   179.783   4167.37   255.556   4966.59   252.966   176.112 5.4176  192.315 4.9109  -16.20334      7.312145 
1 1 1 -15 1   4  o 155.788 3.2194  3285.70   132.906   2762.19   189.322   3794.39   186.622   143.417 4.9285  168.158 4.1434  -24.74190      6.438743 
1 1 1 -15 1   5  o 72.862  1.8857  711.352   36.736    715.323   53.648    707.846   50.409    73.052  2.7418  72.673  2.5897  0.3793716      3.771468 
1 1 1 -15 1   6  o 217.887 4.2196  6388.47   246.131   6210.88   350.089   6562.04   346.109   214.873 6.0829  220.900 5.8496  -6.027771      8.439142 
1 1 1 -15 1   7  o 201.270 3.9454  5453.15   212.390   5150.08   301.705   5750.89   299.042   195.694 5.7559  206.846 5.3976  -11.15184      7.890792 
1 1 1 -15 1   8  o 22.748  1.7660  70.555    10.049    99.238    14.842    46.276    13.656    27.136  2.0574  18.360  2.8709  8.776270       3.531994 
1 1 1 -15 1   9  o 121.845 2.6332  1994.05   85.639    2209.54   122.175   1785.89   120.077   128.333 3.5543  115.356 3.8862  12.97691       5.266486 
1 1 1 -15 1   10 o 70.744  1.9465  671.292   36.637    777.177   52.750    572.611   50.924    76.141  2.5865  65.348  2.9094  10.79302       3.892915 
1 1 1 -15 1   11 o 272.339 10.495  10101.79  765.554   10101.79  765.554   0.0000    0.0000    272.339 10.495  ?       ?       ?              ?        
1 1 1 -15 1   12 o 148.696 3.1315  2978.36   124.334   2732.17   176.896   3218.73   174.793   142.585 4.6319  154.807 4.2155  -12.22205      6.262929 
1 1 1 -15 1   13 o 55.503  1.8209  411.896   27.014    451.377   39.253    376.373   37.233    58.024  2.5257  52.982  2.6237  5.041927       3.641831 
1 1 1 -15 1   14 o 181.586 3.6101  4435.84   175.483   4644.81   249.847   4232.39   246.527   185.820 5.0199  177.352 5.1897  8.468323       7.220243 
1 1 1 -15 1   15 o 335.345 6.3780  15289.41  572.661   14837.41  811.154   15738.56  808.582   330.321 9.1681  340.370 8.8692  -10.04855      12.75603 
1 1 1 -15 1   16 f 65.685  1.9990  581.198   35.011    541.675   50.809    616.931   48.311    63.544  2.9852  67.826  2.6592  -4.282379      3.997907 
1 1 1 -15 1   17 o 126.297 2.7396  2140.64   92.616    2251.27   132.915   2036.23   129.125   129.470 3.8328  123.124 3.9154  6.346008       5.479124 
1 1 1 -15 1   18 o 100.129 2.3910  1344.41   64.089    1385.31   92.563    1306.75   88.822    101.589 3.4017  98.669  3.3609  2.919830       4.781973 
1 1 1 -15 1   19 o 86.635  2.2081  1003.94   50.974    1155.50   74.288    869.085   70.073    92.802  2.9887  80.469  3.2512  12.33282       4.416110 
1 1 1 -15 1   20 o 159.067 3.3024  3406.59   140.624   3347.16   201.106   3463.45   196.710   157.694 4.7613  160.440 4.5775  -2.746490      6.604756 
1 1 1 -15 1   21 o 123.828 3.3609  2089.95   106.284   2151.89   132.842   1979.79   177.174   126.518 3.9200  121.138 5.4605  5.380753       6.721885 
1 1 1 -15 1   22 o 104.150 2.4670  1454.12   68.720    1564.98   99.847    1354.34   94.724    107.916 3.4543  100.384 3.5230  7.531532       4.933911 
1 1 1 -15 1   23 o 42.842  1.9525  243.097   21.846    319.417   33.188    184.740   29.021    48.716  2.5523  36.968  2.9555  11.74809       3.905056 
1 1 1 -15 1   24 o 46.819  2.0852  300.637   25.550    259.949   38.091    333.917   34.450    43.841  3.2673  49.798  2.5918  -5.956558      4.170420 
1 1 1 -15 1   25 o 26.394  2.2019  95.190    15.065    93.969    23.112    96.092    19.864    26.203  3.3713  26.585  2.8333  -0.3817940     4.403763 
1 1 1 -15 1   26 o 82.435  2.2714  916.263   49.973    910.025   73.722    921.567   67.973    82.153  3.3503  82.717  3.0680  -0.5645370     4.542789 
1 1 1 -15 1   27 o 89.698  2.3482  1084.16   56.290    1118.29   82.918    1054.99   76.661    90.986  3.4024  88.409  3.2373  2.576607       4.696459 
1 1 1 -15 1   28 o 27.860  2.3176  111.346   16.026    84.258    24.683    131.087   21.071    24.630  3.8690  31.091  2.5528  -6.460714      4.635292 
1 1 1 -15 1   29 o 57.312  2.0941  443.974   31.785    450.500   48.456    439.046   42.112    57.604  3.1525  57.021  2.7573  0.5831604      4.188192 
1 1 1 -15 1   30 o 24.743  2.3002  81.104    14.564    104.361   23.532    66.667    18.541    27.548  3.2519  21.937  3.2541  5.611486       4.600464 
1 1 1 -15 1   31 o 18.837  2.7337  57.748    13.408    21.751    21.493    80.683    17.156    13.396  4.7638  24.277  2.6832  -10.88091      5.467461 
1 1 1 -15 1   32 o 48.621  2.1611  324.149   27.512    313.597   42.655    331.666   36.002    47.847  3.3495  49.394  2.7318  -1.547565      4.322212 
1 1 1 -15 1   33 o 105.456 2.6668  1528.63   75.007    1532.97   111.336   1525.02   101.498   105.467 3.9412  105.444 3.5937  0.2276611E-01  5.333673 
1 1 1 -15 1   34 o 32.610  2.3064  144.494   19.271    157.624   31.886    136.939   24.188    33.657  3.5924  31.562  2.8933  2.095453       4.612710 
1 1 1 -15 1   35 f 31.618  2.3650  131.386   19.138    179.470   31.796    104.071   23.964    35.944  3.3408  27.293  3.3484  8.651632       4.729969 
1 1 1 -15 1   36 o 29.107  2.6138  118.368   19.000    125.125   32.305    114.795   23.493    29.518  4.2048  28.697  3.1060  0.8215942      5.227538 
1 1 1 -15 1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 1   38 o 36.034  2.4085  176.736   22.371    217.685   37.162    153.463   28.016    39.090  3.5894  32.978  3.2125  6.112309       4.817046 
1 1 1 -15 1   39 o 21.708  3.1099  65.996    16.584    88.389    29.654    55.804    20.006    24.052  4.7716  19.365  3.9897  4.686357       6.219796 
1 1 1 -15 1   40 o 38.124  2.5444  204.276   24.643    229.791   41.944    190.827   30.453    39.578  4.0122  36.671  3.1304  2.906204       5.088891 
1 1 1 -15 1   41 o 14.307  3.1658  18.475    13.665    61.008    26.645    3.2957    15.917    19.575  5.0488  9.0388  3.8206  10.53613       6.331509 
1 1 1 -15 1   42 o 9.4608  3.0147  -3.4093   13.160    2.4034    28.768    -4.9477   14.800    11.276  4.9508  7.6459  3.4413  3.629760       6.029362 
1 1 1 -15 1   43 o 10.872  3.2528  3.3770    13.935    26.094    29.525    -3.1331   15.806    13.688  5.4211  8.0565  3.5963  5.631359       6.505503 
1 1 1 -15 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 2   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 2   3  o 72.629  1.8837  708.821   36.549    670.771   52.658    744.189   50.769    70.741  2.7791  74.517  2.5436  -3.776100      3.767418 
1 1 1 -15 2   4  o 130.493 2.7453  2285.49   95.896    2247.20   137.348   2321.91   133.950   129.421 3.9621  131.564 3.8012  -2.142914      5.490650 
1 1 1 -15 2   5  o 179.941 3.5513  4350.78   170.784   4732.06   243.595   3982.19   239.507   187.716 4.8448  172.166 5.1937  15.54935       7.102634 
1 1 1 -15 2   6  o 103.529 2.3940  1444.02   66.046    1293.09   94.293    1589.38   92.538    98.185  3.5855  108.872 3.1733  -10.68739      4.788050 
1 1 1 -15 2   7  o 195.226 3.8283  5124.88   200.016   5389.41   283.828   4863.91   281.914   200.248 5.2917  190.204 5.5336  10.04454       7.656588 
1 1 1 -15 2   8  o 199.401 3.9130  5347.01   208.985   5327.21   296.377   5366.59   294.729   199.030 5.5595  199.772 5.5081  -0.7417755     7.826052 
1 1 1 -15 2   9  o 115.662 2.5537  1797.85   78.684    2040.00   112.443   1565.50   110.144   123.318 3.4042  108.006 3.8074  15.31186       5.107311 
1 1 1 -15 2   10 o 177.650 4.2008  4157.65   189.642   4535.16   330.647   3972.59   231.505   183.397 6.7311  171.903 5.0279  11.49399       8.401618 
1 1 1 -15 2   11 o 138.622 3.5171  2559.75   124.687   2505.36   154.065   2662.99   212.277   136.584 4.2113  140.660 5.6344  -4.075958      7.034280 
1 1 1 -15 2   12 o 171.609 3.4557  3959.09   158.830   4026.59   225.989   3893.20   223.275   173.056 4.8754  170.163 4.8988  2.893707       6.911402 
1 1 1 -15 2   13 o 111.948 2.5149  1680.92   75.326    1795.24   107.980   1572.54   105.132   115.658 3.4856  108.238 3.6263  7.420525       5.029870 
1 1 1 -15 2   14 o 172.935 3.5131  4025.78   162.615   3889.41   231.399   4158.84   228.571   170.022 5.0812  175.848 4.8528  -5.826080      7.026264 
1 1 1 -15 2   15 o 49.464  1.8385  328.886   24.246    323.923   35.410    333.267   33.267    49.072  2.7045  49.856  2.4912  -0.7832947     3.676986 
1 1 1 -15 2   16 o 81.690  2.1419  893.244   46.794    965.860   67.847    827.362   64.624    84.851  2.9853  78.528  3.0724  6.322777       4.283883 
1 1 1 -15 2   17 f 181.658 3.6383  4441.09   176.971   4604.30   252.459   4283.41   248.147   184.948 5.0963  178.369 5.1940  6.578644       7.276630 
1 1 1 -15 2   18 f 154.385 3.2433  3208.33   133.998   3109.76   191.509   3302.88   187.555   152.043 4.7025  156.727 4.4678  -4.683777      6.486551 
1 1 1 -15 2   19 o 120.168 2.7320  1943.84   87.759    1853.67   126.156   2028.38   122.159   117.447 4.0103  122.888 3.7113  -5.440262      5.464096 
1 1 1 -15 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 2   21 o 187.416 3.8413  4746.42   192.579   4534.14   274.788   4951.33   269.973   183.248 5.5985  191.584 5.2610  -8.336411      7.682533 
1 1 1 -15 2   22 o 79.606  2.3452  869.008   48.891    699.302   71.144    1020.88   67.301    72.015  3.7008  87.197  2.8816  -15.18206      4.690348 
1 1 1 -15 2   23 o 74.169  2.1938  743.232   43.312    695.820   63.624    784.179   59.127    71.936  3.3021  76.403  2.8893  -4.466949      4.387669 
1 1 1 -15 2   24 o 58.506  2.0371  456.291   31.711    515.690   47.578    408.811   42.537    61.940  2.8678  55.072  2.8938  6.867886       4.074119 
1 1 1 -15 2   25 o 51.252  2.0011  353.139   27.214    365.716   40.964    343.203   36.411    52.052  2.9503  50.452  2.7043  1.600414       4.002170 
1 1 1 -15 2   26 o 16.870  2.5552  40.198    11.014    37.919    17.430    41.714    14.210    16.416  4.0006  17.323  3.1798  -0.9065094     5.110393 
1 1 1 -15 2   27 o 33.390  2.0504  150.886   17.907    154.769   27.844    148.146   23.385    33.721  3.1181  33.059  2.6635  0.6621094      4.100852 
1 1 1 -15 2   28 o 29.613  2.5363  133.446   17.413    75.474    26.734    176.160   22.948    23.138  4.4757  36.089  2.3875  -12.95112      5.072642 
1 1 1 -15 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 2   30 o 52.338  2.1169  374.604   29.157    357.652   44.415    387.440   38.650    51.218  3.2545  53.459  2.7081  -2.241074      4.233850 
1 1 1 -15 2   31 o 27.230  2.2911  96.336    15.814    138.172   25.978    71.706    19.933    31.749  3.0942  22.711  3.3798  9.038319       4.582239 
1 1 1 -15 2   32 o 71.725  2.3066  703.144   43.890    689.395   66.441    713.788   58.460    71.007  3.4934  72.443  3.0128  -1.436081      4.613142 
1 1 1 -15 2   33 f 48.744  2.1897  325.936   27.906    323.362   43.755    327.701   36.230    48.472  3.3914  49.016  2.7709  -0.5438881     4.379490 
1 1 1 -15 2   34 o 18.577  2.5810  38.048    13.031    101.374   23.283    9.1624    15.725    26.985  3.2894  10.170  3.9783  16.81529       5.162020 
1 1 1 -15 2   35 o 23.699  2.8177  81.721    16.512    75.288    27.148    85.498    20.803    22.678  4.6260  24.719  3.2182  -2.040949      5.635311 
1 1 1 -15 2   36 o 13.084  3.1730  23.122    13.048    20.422    22.578    24.476    15.988    13.033  4.8451  13.135  4.0986  -0.1022911     6.346079 
1 1 1 -15 2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 2   38 o 39.584  2.5387  225.590   25.378    217.162   42.071    230.411   31.818    38.597  4.1338  40.572  2.9481  -1.975834      5.077360 
1 1 1 -15 2   39 o 18.821  3.3403  57.664    16.442    43.423    29.279    64.224    19.871    16.712  5.5767  20.931  3.6787  -4.219538      6.680698 
1 1 1 -15 2   40 o 34.552  2.8204  177.585   23.845    168.487   40.876    182.277   29.357    33.262  4.7205  35.842  3.0881  -2.580540      5.640876 
1 1 1 -15 2   41 o 13.466  3.4717  23.964    14.840    30.689    28.799    21.532    17.316    14.609  5.4639  12.322  4.2844  2.287251       6.943352 
1 1 1 -15 2   42 o 11.893  3.3999  13.611    15.296    23.422    29.013    9.8344    18.001    13.481  5.3628  10.305  4.1807  3.175601       6.799870 
1 1 1 -15 2   43 o 7.5798  3.4403  -5.5454   15.160    0.0000    0.0000    -5.5454   15.160    ?       ?       7.5798  3.4403  ?              ?        
1 1 1 -15 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 3   3  o 212.733 4.9569  6054.73   266.741   6214.79   463.131   5975.28   326.295   214.635 8.0559  210.831 5.7781  3.804382       9.913850 
1 1 1 -15 3   4  o 214.345 4.1217  6177.23   236.514   6439.21   336.182   5920.49   332.808   218.858 5.7349  209.831 5.9215  9.026657       8.243369 
1 1 1 -15 3   5  o 121.128 2.6091  1968.87   84.514    2114.66   120.312   1826.86   118.743   125.562 3.5774  116.694 3.7990  8.868217       5.218257 
1 1 1 -15 3   6  o 126.273 2.7464  2146.87   92.476    1924.00   131.300   2366.25   130.269   119.734 4.0941  132.812 3.6620  -13.07767      5.492876 
1 1 1 -15 3   7  o 157.812 3.2356  3347.51   136.631   3192.69   194.002   3499.87   192.459   154.177 4.6978  161.447 4.4506  -7.270584      6.471282 
1 1 1 -15 3   8  o 114.872 2.5429  1772.07   77.929    1979.30   111.347   1573.10   109.104   121.471 3.4223  108.273 3.7621  13.19784       5.085813 
1 1 1 -15 3   9  o 59.242  1.8534  470.873   29.374    461.767   42.356    479.310   40.771    58.688  2.6945  59.796  2.5456  -1.107845      3.706769 
1 1 1 -15 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 3   11 f 135.088 2.9071  2454.83   105.000   2313.26   149.665   2592.05   147.348   131.233 4.2578  138.944 3.9593  -7.710556      5.814204 
1 1 1 -15 3   12 o 157.518 3.2447  3335.74   136.858   3285.96   194.947   3384.10   192.177   156.351 4.6551  158.686 4.5214  -2.334122      6.489431 
1 1 1 -15 3   13 f 66.168  1.9648  588.444   34.139    741.495   49.726    451.980   46.954    74.368  2.4964  57.967  3.0347  16.40030       3.929518 
1 1 1 -15 3   14 o 52.179  1.8821  368.859   26.006    328.192   37.854    405.207   35.788    49.382  2.8744  54.976  2.4304  -5.593655      3.764149 
1 1 1 -15 3   15 o 37.686  1.9741  199.561   18.815    137.760   27.454    254.300   25.838    31.875  3.2616  43.498  2.2251  -11.62356      3.948278 
1 1 1 -15 3   16 o 176.692 3.5733  4202.15   169.087   4191.57   241.120   4212.38   237.180   176.464 5.1014  176.919 5.0051  -0.4542847     7.146698 
1 1 1 -15 3   17 o 173.924 3.5016  4069.69   163.098   4163.19   232.936   3979.76   228.441   175.884 4.9445  171.963 4.9596  3.920746       7.003278 
1 1 1 -15 3   18 o 73.174  2.1477  723.093   41.816    660.937   60.950    778.365   57.476    70.174  3.2427  76.174  2.8170  -5.999512      4.295447 
1 1 1 -15 3   19 o 54.897  1.9908  407.716   28.974    376.278   42.645    434.672   39.488    52.866  3.0242  56.928  2.5897  -4.061958      3.981501 
1 1 1 -15 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 3   21 o 68.590  2.0823  630.939   38.152    640.356   56.253    622.918   51.916    69.058  3.0412  68.122  2.8453  0.9356537      4.164670 
1 1 1 -15 3   22 o 108.995 2.6102  1601.47   76.014    1544.10   110.231   1653.47   104.962   107.110 3.8422  110.881 3.5342  -3.770821      5.220469 
1 1 1 -15 3   23 o 45.563  2.0472  281.415   24.612    269.647   37.030    290.728   32.940    44.676  3.1139  46.450  2.6586  -1.774101      4.094496 
1 1 1 -15 3   24 o 43.190  2.0019  249.046   22.880    276.774   34.886    228.118   30.308    45.277  2.8917  41.102  2.7691  4.174534       4.003766 
1 1 1 -15 3   25 o 30.456  2.0568  124.522   16.369    134.871   25.605    117.368   21.287    31.498  3.0741  29.413  2.7333  2.085217       4.113542 
1 1 1 -15 3   26 o 74.772  2.2131  754.678   44.102    748.647   65.593    759.654   59.578    74.472  3.2884  75.073  2.9629  -0.6011734     4.426291 
1 1 1 -15 3   27 o 70.270  2.1252  658.631   39.749    764.397   59.938    575.598   53.108    75.251  2.9737  65.289  3.0369  9.962112       4.250391 
1 1 1 -15 3   28 o 46.130  2.1206  292.427   25.569    267.783   39.104    310.832   33.793    44.335  3.3171  47.925  2.6428  -3.590607      4.241118 
1 1 1 -15 3   29 o 51.319  3.2420  358.709   44.334    358.709   44.334    0.0000    0.0000    51.319  3.2420  ?       ?       ?              ?        
1 1 1 -15 3   30 o 47.784  2.0987  308.836   26.441    323.318   40.859    298.403   34.681    48.698  3.1494  46.870  2.7749  1.827671       4.197474 
1 1 1 -15 3   31 o 8.7180  2.5827  2.4296    9.8186    -0.3675   16.686    3.9111    12.144    9.0171  3.8648  8.4189  3.4269  0.5982542      5.165329 
1 1 1 -15 3   32 o 21.297  2.6837  60.722    14.309    78.665    24.137    51.000    17.767    23.605  3.9577  18.989  3.6256  4.616104       5.367321 
1 1 1 -15 3   33 o 30.596  2.3358  126.299   18.383    145.095   30.176    115.209   23.180    32.301  3.5463  28.892  3.0410  3.408257       4.671602 
1 1 1 -15 3   34 o 46.216  2.2774  293.941   27.271    299.557   44.002    290.437   34.750    46.417  3.5664  46.014  2.8333  0.4031067      4.554880 
1 1 1 -15 3   35 o 55.940  2.3196  430.693   33.940    452.317   53.991    416.565   43.642    56.923  3.5590  54.957  2.9758  1.966393       4.639173 
1 1 1 -15 3   36 o 57.690  2.9459  460.890   45.369    0.0000    0.0000    460.890   45.369    ?       ?       57.690  2.9459  ?              ?        
1 1 1 -15 3   37 o 11.686  3.1455  14.104    12.685    21.688    23.280    10.902    15.127    13.167  4.9149  10.205  3.9268  2.961607       6.290939 
1 1 1 -15 3   38 o 24.607  2.9371  89.442    17.640    90.201    30.375    89.056    21.669    24.277  4.8410  24.936  3.3274  -0.6584835     5.874240 
1 1 1 -15 3   39 o 20.786  3.3169  68.368    17.288    60.371    29.989    72.349    21.158    19.357  5.5163  22.216  3.6848  -2.859352      6.633843 
1 1 1 -15 3   40 o 18.078  3.4995  52.329    16.733    47.270    30.719    54.463    19.953    17.158  5.7115  18.998  4.0452  -1.839699      6.998919 
1 1 1 -15 3   41 o 19.827  3.5807  67.019    18.552    51.520    34.252    73.454    22.070    17.524  6.0296  22.130  3.8639  -4.605461      7.161435 
1 1 1 -15 3   42 o 10.592  3.0651  8.8884    14.888    -22.0320  28.777    20.190    17.398    9.2833  4.3884  11.901  4.2802  -2.617176      6.130133 
1 1 1 -15 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 4   3  o 178.371 3.5267  4275.51   168.194   4604.36   239.347   3954.69   236.404   185.167 4.8259  171.575 5.1441  13.59164       7.053435 
1 1 1 -15 4   4  o 114.681 2.5320  1763.87   77.772    1783.16   110.721   1745.08   109.265   115.300 3.5852  114.062 3.5764  1.237381       5.064034 
1 1 1 -15 4   5  o 101.463 2.3618  1382.97   64.071    1304.54   91.357    1458.89   89.883    98.622  3.4584  104.304 3.2173  -5.681801      4.723505 
1 1 1 -15 4   6  o 92.346  2.2421  1144.14   55.427    1122.03   79.238    1165.33   77.559    91.469  3.2342  93.222  3.1062  -1.753128      4.484249 
1 1 1 -15 4   7  o 55.942  1.8117  420.357   27.085    402.603   39.103    436.731   37.552    54.802  2.6640  57.082  2.4561  -2.279705      3.623419 
1 1 1 -15 4   8  o 194.158 3.8231  5069.79   198.812   5140.37   282.458   5000.49   279.885   195.499 5.3941  192.817 5.4193  2.682175       7.646291 
1 1 1 -15 4   9  o 21.346  1.7573  61.466    9.7252    75.439    14.400    49.748    13.187    23.612  2.3063  19.081  2.6520  4.531086       3.514537 
1 1 1 -15 4   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 4   11 o 270.963 5.2394  9930.75   379.938   9493.30   538.544   10364.22  536.091   264.957 7.5885  276.968 7.2264  -12.01141      10.47883 
1 1 1 -15 4   12 o 141.404 3.0091  2688.11   113.893   2618.01   162.584   2755.66   159.597   139.583 4.3487  143.226 4.1602  -3.642746      6.018141 
1 1 1 -15 4   13 o 73.847  2.0758  733.372   40.943    698.698   59.260    765.040   56.634    72.167  3.0657  75.527  2.7995  -3.359283      4.151651 
1 1 1 -15 4   14 o 199.692 3.9563  5372.79   211.584   5334.99   301.130   5409.65   297.355   198.987 5.6499  200.398 5.5398  -1.410721      7.912694 
1 1 1 -15 4   15 o 97.120  2.3768  1267.07   61.750    1241.83   89.091    1290.41   85.664    96.182  3.4582  98.058  3.2616  -1.875710      4.753637 
1 1 1 -15 4   16 o 56.002  1.9603  418.652   28.871    529.205   42.721    325.718   39.169    62.821  2.5389  49.183  2.9875  13.63833       3.920595 
1 1 1 -15 4   17 o 64.788  2.0744  565.666   35.798    533.654   52.547    593.388   48.900    63.062  3.1109  66.513  2.7448  -3.450371      4.148734 
1 1 1 -15 4   18 f 36.076  2.0757  182.792   19.014    133.862   28.213    223.512   25.737    31.392  3.4102  40.759  2.3677  -9.367018      4.151496 
1 1 1 -15 4   19 o 27.814  4.3901  106.586   31.621    0.0000    0.0000    106.586   31.621    ?       ?       27.814  4.3901  ?              ?        
1 1 1 -15 4   20 o 61.587  2.0297  508.972   33.374    510.479   49.249    507.692   45.384    61.666  2.9817  61.508  2.7547  0.1578979      4.059405 
1 1 1 -15 4   21 o 55.488  1.9939  412.642   29.474    428.376   43.888    399.715   39.780    56.407  2.9148  54.569  2.7216  1.838215       3.987885 
1 1 1 -15 4   22 o 76.700  2.1557  783.921   44.007    919.611   65.348    671.316   59.530    82.731  2.9490  70.669  3.1450  12.06132       4.311319 
1 1 1 -15 4   23 o 100.951 2.4696  1367.73   66.664    1461.84   97.667    1285.63   91.218    104.190 3.4997  97.712  3.4853  6.478615       4.939198 
1 1 1 -15 4   24 o 87.249  2.3177  1023.50   54.044    1053.56   79.557    997.741   73.644    88.423  3.3591  86.074  3.1943  2.348976       4.635409 
1 1 1 -15 4   25 o 60.806  2.0590  494.889   33.377    528.963   50.232    467.953   44.662    62.659  2.9930  58.954  2.8284  3.705368       4.117980 
1 1 1 -15 4   26 o 46.748  1.9997  291.562   24.719    328.405   38.045    264.646   32.518    49.266  2.8958  44.231  2.7585  5.035572       3.999436 
1 1 1 -15 4   27 o 57.382  2.1492  451.395   32.388    408.648   49.038    484.471   43.135    54.833  3.3550  59.931  2.6872  -5.097439      4.298460 
1 1 1 -15 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 4   29 o 46.379  2.1816  298.313   26.237    265.174   40.589    322.100   34.388    44.014  3.4711  48.744  2.6437  -4.730709      4.363271 
1 1 1 -15 4   30 o 49.123  2.1693  330.896   27.851    318.373   43.363    339.689   36.337    48.233  3.3779  50.013  2.7228  -1.780312      4.338628 
1 1 1 -15 4   31 o 16.099  2.9078  38.304    12.433    30.010    20.832    42.893    15.496    14.768  4.6881  17.430  3.4412  -2.661954      5.815538 
1 1 1 -15 4   32 o 8.1158  2.4516  -5.2432   9.1544    9.6034    16.410    -11.9514  11.030    10.419  4.0672  5.8125  2.7383  4.606514       4.903118 
1 1 1 -15 4   33 o 62.313  2.3075  535.087   37.749    527.318   58.801    540.534   49.235    61.728  3.5717  62.897  2.9225  -1.168377      4.614956 
1 1 1 -15 4   34 o 20.095  3.0066  62.121    15.317    44.768    24.820    72.795    19.465    17.432  5.0342  22.758  3.2887  -5.325254      6.013191 
1 1 1 -15 4   35 o 49.723  2.2656  331.889   29.410    406.474   47.792    286.431   37.311    54.013  3.3195  45.433  3.0843  8.579468       4.531229 
1 1 1 -15 4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 4   37 o 20.328  3.2396  69.600    17.139    38.994    29.226    85.642    21.159    16.169  5.5693  24.488  3.3109  -8.318695      6.479113 
1 1 1 -15 4   38 o 8.9805  2.7908  -9.6218   12.104    13.068    22.661    -18.6792  14.318    11.723  4.7136  6.2378  2.9895  5.485307       5.581700 
1 1 1 -15 4   39 o 28.270  2.8882  112.081   20.134    139.708   35.846    99.348    24.335    30.395  4.5424  26.144  3.5682  4.250105       5.776330 
1 1 1 -15 4   40 o 10.919  3.1204  10.679    14.505    -5.4458   25.479    18.411    17.643    10.065  4.5241  11.773  4.2990  -1.707659      6.240898 
1 1 1 -15 4   41 o 13.287  3.5162  20.902    15.093    38.359    30.072    15.024    17.450    15.519  5.6209  11.055  4.2262  4.464181       7.032413 
1 1 1 -15 4   42 o 26.725  3.6545  109.007   22.115    143.002   45.517    98.501    25.303    28.072  6.2175  25.379  3.8425  2.692854       7.309060 
1 1 1 -15 5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 5   2  o 193.740 4.8677  5168.49   234.974   4739.12   407.719   5382.02   287.526   187.363 8.1243  200.117 5.3642  -12.75435      9.735457 
1 1 1 -15 5   3  o 140.538 2.9570  2651.74   111.271   2605.51   158.512   2696.65   156.234   139.326 4.2476  141.751 4.1149  -2.425598      5.913908 
1 1 1 -15 5   4  o 280.266 5.3438  10598.12  401.095   10425.49  568.444   10769.29  566.031   277.972 7.6348  282.560 7.4789  -4.588562      10.68759 
1 1 1 -15 5   5  o 420.140 7.8754  24030.54  886.243   24130.46  1254.75   23931.07  1251.93   421.018 11.127  419.262 11.148  1.756226       15.75077 
1 1 1 -15 5   6  o 183.974 3.6658  4549.56   180.632   4587.80   256.888   4512.17   254.039   184.738 5.1916  183.211 5.1768  1.526932       7.331551 
1 1 1 -15 5   7  o 124.151 2.7144  2069.09   90.235    2052.59   128.964   2084.91   126.300   123.662 3.8935  124.640 3.7832  -0.9775696     5.428807 
1 1 1 -15 5   8  o 56.086  2.4369  447.126   32.870    364.666   57.919    486.300   39.921    51.942  4.1990  60.231  2.4746  -8.288109      4.873878 
1 1 1 -15 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 5   10 o 138.931 2.9069  2592.68   108.159   2628.58   152.599   2556.44   153.322   139.902 4.0723  137.961 4.1491  1.940353       5.813701 
1 1 1 -15 5   11 o 182.748 3.6478  4494.18   178.529   4570.55   252.129   4417.39   252.829   184.313 5.1071  181.182 5.2098  3.131470       7.295556 
1 1 1 -15 5   12 o 93.322  2.2699  1168.47   56.737    1155.83   79.839    1181.36   80.644    92.813  3.2116  93.832  3.2087  -1.019531      4.539828 
1 1 1 -15 5   13 o 71.328  1.9407  682.187   37.072    666.635   52.038    698.215   52.827    70.502  2.7557  72.153  2.7335  -1.651466      3.881432 
1 1 1 -15 5   14 o 75.796  2.0252  770.505   41.108    751.431   57.751    790.095   58.529    74.845  2.8808  76.748  2.8472  -1.902817      4.050336 
1 1 1 -15 5   15 f 119.741 2.6721  1925.83   85.693    1945.12   120.823   1906.30   121.557   120.347 3.7482  119.134 3.8094  1.212494       5.344212 
1 1 1 -15 5   16 o 77.016  2.0976  795.998   43.258    808.382   60.777    783.284   61.584    77.625  2.9232  76.406  3.0092  1.218468       4.195237 
1 1 1 -15 5   17 o 154.659 3.1848  3217.28   131.905   3135.73   186.004   3299.78   187.085   152.681 4.5483  156.637 4.4592  -3.956360      6.369560 
1 1 1 -15 5   18 o 132.393 2.8574  2356.14   101.326   2333.35   142.833   2379.22   143.765   131.748 4.0476  133.038 4.0345  -1.290421      5.714869 
1 1 1 -15 5   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 5   20 o 90.039  2.2911  1089.44   55.234    1116.75   77.842    1061.74   78.386    91.180  3.1873  88.897  3.2920  2.283264       4.582184 
1 1 1 -15 5   21 o 143.068 3.0244  2758.83   115.896   2743.23   163.552   2774.55   164.255   142.661 4.2802  143.475 4.2742  -0.8134155     6.048861 
1 1 1 -15 5   22 o 66.260  2.0338  589.990   36.091    588.317   50.636    591.718   51.453    66.166  2.8572  66.354  2.8951  -0.1879501     4.067560 
1 1 1 -15 5   23 o 27.646  1.9899  104.906   14.323    120.873   19.999    88.093    20.522    29.889  2.5216  25.403  3.0791  4.485859       3.979860 
1 1 1 -15 5   24 o 75.980  2.1001  777.306   42.733    759.106   60.164    795.836   60.707    75.079  2.9918  76.881  2.9480  -1.801132      4.200189 
1 1 1 -15 5   25 o 76.808  2.7368  803.148   51.717    793.317   93.023    807.545   62.220    76.229  4.5772  77.387  3.0017  -1.158531      5.473671 
1 1 1 -15 5   26 o 45.180  2.0676  277.914   24.576    268.070   37.433    285.371   32.581    44.424  3.1666  45.935  2.6595  -1.510811      4.135232 
1 1 1 -15 5   27 o 21.252  2.6145  67.797    13.611    43.991    21.112    84.729    17.805    17.597  4.4704  24.908  2.7126  -7.311541      5.229065 
1 1 1 -15 5   28 o 30.967  3.4747  131.959   28.324    131.959   28.324    0.0000    0.0000    30.967  3.4747  ?       ?       ?              ?        
1 1 1 -15 5   29 o 17.573  2.7911  45.251    12.525    37.516    20.587    49.796    15.781    16.259  4.5487  18.888  3.2358  -2.628496      5.582209 
1 1 1 -15 5   30 f 27.449  2.3237  100.064   16.403    128.576   26.407    82.153    20.930    30.553  3.2780  24.345  3.2944  6.208736       4.647431 
1 1 1 -15 5   31 f 37.388  2.1895  185.797   21.305    223.128   34.542    162.875   27.067    40.304  3.2268  34.471  2.9603  5.833611       4.379004 
1 1 1 -15 5   32 o 46.949  2.3553  313.051   28.179    264.425   44.495    345.615   36.412    43.574  3.8520  50.325  2.7114  -6.750214      4.710563 
1 1 1 -15 5   33 o 60.462  2.2746  498.873   36.117    533.187   57.094    475.982   46.632    62.052  3.4488  58.873  2.9668  3.179203       4.549255 
1 1 1 -15 5   34 o 12.113  2.9363  19.277    12.585    -2.9404   22.834    28.971    15.083    10.078  4.4182  14.148  3.8688  -4.069910      5.872654 
1 1 1 -15 5   35 o 14.168  4.0553  29.298    16.171    0.0000    0.0000    29.298    16.171    ?       ?       14.168  4.0553  ?              ?        
1 1 1 -15 5   36 o 17.009  3.2701  42.113    14.646    49.729    25.398    38.319    17.927    17.988  5.0593  16.030  4.1446  1.958323       6.540215 
1 1 1 -15 5   37 o 19.740  3.1680  49.750    15.963    95.686    29.167    30.106    19.073    25.238  4.4787  14.242  4.4819  10.99612       6.336049 
1 1 1 -15 5   38 f 53.227  2.5566  409.319   34.780    399.319   57.101    415.218   43.853    52.163  4.1204  54.291  3.0277  -2.127533      5.113225 
1 1 1 -15 5   39 o 10.230  3.0190  6.6065    13.757    -10.9634  25.989    13.446    16.215    9.7324  4.4508  10.727  4.0803  -0.9948692     6.038090 
1 1 1 -15 5   40 o 9.0463  2.9212  -12.4239  13.973    6.4871    26.605    -19.6267  16.419    11.357  4.8743  6.7353  3.2209  4.621983       5.842327 
1 1 1 -15 5   41 f 29.329  3.3625  137.040   23.166    135.616   42.002    137.662   27.772    28.131  5.7681  30.528  3.4574  -2.397081      6.724905 
1 1 1 -15 6   1  o 140.816 3.4451  2607.01   122.088   2827.97   216.905   2504.54   147.708   145.023 5.5840  136.609 4.0368  8.414398       6.890294 
1 1 1 -15 6   2  o 137.114 2.8290  2522.84   103.881   2460.26   146.183   2586.69   147.648   135.394 4.0309  138.834 3.9705  -3.439819      5.658018 
1 1 1 -15 6   3  o 183.086 3.6787  4505.46   180.397   4457.92   254.876   4553.18   255.364   182.115 5.2251  184.056 5.1799  -1.941284      7.357491 
1 1 1 -15 6   4  f 440.357 8.2737  26460.46  975.866   26364.85  1379.83   26556.15  1380.34   439.547 11.720  441.166 11.681  -1.618774      16.54736 
1 1 1 -15 6   5  o 163.058 3.3176  3572.47   144.876   3634.90   204.679   3509.79   205.094   164.491 4.6456  161.625 4.7376  2.865799       6.635215 
1 1 1 -15 6   6  o 247.430 4.7434  8255.02   314.347   8343.35   444.235   8166.44   444.873   248.766 6.6670  246.094 6.7491  2.671722       9.486823 
1 1 1 -15 6   7  o 130.998 2.8626  2305.41   100.372   2398.50   141.693   2211.65   142.203   133.661 3.9578  128.334 4.1369  5.326599       5.725254 
1 1 1 -15 6   8  o 77.943  2.5316  845.881   49.323    727.586   82.937    910.614   61.352    73.479  4.2319  82.407  2.7796  -8.927971      5.063130 
1 1 1 -15 6   9  o 77.312  2.4771  808.928   48.391    821.071   59.703    785.673   82.624    78.246  2.8487  76.379  4.0532  1.866142       4.954124 
1 1 1 -15 6   10 o 115.178 2.5500  1781.29   78.642    1825.84   110.888   1736.20   111.547   116.631 3.5496  113.724 3.6620  2.907265       5.099987 
1 1 1 -15 6   11 o 170.049 3.4355  3889.50   156.476   3871.20   220.824   3907.96   221.758   169.647 4.8597  170.451 4.8572  -0.8040466     6.870931 
1 1 1 -15 6   12 o 115.162 2.6027  1780.88   80.277    1796.33   113.132   1765.21   113.931   115.668 3.6516  114.657 3.7098  1.011002       5.205491 
1 1 1 -15 6   13 o 171.433 3.4451  3954.25   158.193   3934.89   223.234   3973.78   224.206   171.011 4.8736  171.855 4.8708  -0.8434601     6.890269 
1 1 1 -15 6   14 o 141.452 2.9939  2689.37   113.428   2699.65   159.984   2678.98   160.842   141.726 4.2144  141.178 4.2535  0.5483093      5.987747 
1 1 1 -15 6   15 o 155.689 3.2076  3260.00   133.756   3280.04   188.720   3239.78   189.602   156.173 4.5115  155.205 4.5609  0.9686890      6.415253 
1 1 1 -15 6   16 o 281.320 5.4422  10732.07  410.078   10733.70  579.476   10730.43  580.401   281.344 7.6897  281.295 7.7033  0.4898071E-01  10.88449 
1 1 1 -15 6   17 o 100.481 2.3632  1356.58   63.547    1413.53   89.552    1298.81   90.190    102.613 3.2582  98.349  3.4237  4.264198       4.726327 
1 1 1 -15 6   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 6   19 o 94.422  2.2602  1197.27   57.154    1167.13   80.334    1228.16   81.331    93.217  3.2175  95.626  3.1753  -2.409424      4.520490 
1 1 1 -15 6   20 o 126.478 2.8233  2153.84   95.640    2161.68   134.877   2145.91   135.637   126.713 3.9740  126.243 4.0113  0.4694901      5.646506 
1 1 1 -15 6   21 o 95.300  2.3873  1222.24   60.920    1248.36   85.776    1195.66   86.535    96.334  3.3243  94.266  3.4273  2.068115       4.774621 
1 1 1 -15 6   22 o 107.581 2.5318  1559.77   72.944    1581.83   102.812   1537.40   103.509   108.354 3.5425  106.808 3.6181  1.546486       5.063619 
1 1 1 -15 6   23 o 24.309  2.0278  81.564    12.733    94.645    17.760    67.727    18.266    26.414  2.5417  22.205  3.1604  4.208572       4.055617 
1 1 1 -15 6   24 o 44.294  1.8372  264.840   21.685    251.776   30.396    278.381   30.946    43.172  2.6413  45.416  2.5543  -2.243793      3.674352 
1 1 1 -15 6   25 o 95.555  2.3902  1235.51   61.151    1269.16   86.172    1201.36   86.794    96.883  3.3207  94.228  3.4389  2.655617       4.780495 
1 1 1 -15 6   26 o 66.027  2.0367  588.839   36.004    566.317   50.596    611.942   51.245    64.741  2.9178  67.313  2.8422  -2.572563      4.073305 
1 1 1 -15 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 6   28 o 87.986  2.3037  1052.09   54.283    1068.84   76.616    1035.19   76.921    88.702  3.2248  87.269  3.2908  1.432907       4.607403 
1 1 1 -15 6   29 o 42.262  1.9194  242.948   21.556    221.415   30.184    265.364   30.797    40.319  2.8125  44.205  2.6126  -3.885651      3.838756 
1 1 1 -15 6   30 o 85.857  2.2673  1005.82   52.102    1046.40   73.521    964.883   73.845    87.632  3.1323  84.081  3.2790  3.551552       4.534624 
1 1 1 -15 6   31 o 30.474  2.8043  129.317   19.914    132.448   37.814    128.115   23.425    30.413  4.8013  30.534  2.8990  -0.1212292     5.608633 
1 1 1 -15 6   32 o 25.718  2.7300  96.008    17.095    85.633    28.719    101.702   21.274    24.325  4.5759  27.112  2.9787  -2.786594      5.459998 
1 1 1 -15 6   33 o 18.049  3.1576  46.432    14.766    54.097    24.492    42.056    18.508    19.112  4.7930  16.986  4.1121  2.125971       6.315267 
1 1 1 -15 6   34 o 35.156  2.4230  165.834   21.857    206.949   36.767    143.363   27.181    38.302  3.6271  32.009  3.2137  6.292599       4.845978 
1 1 1 -15 6   35 o 11.031  4.5401  8.2452    21.610    8.2452    21.610    0.0000    0.0000    11.031  4.5401  ?       ?       ?              ?        
1 1 1 -15 6   36 o 34.092  2.5468  162.624   22.073    181.823   37.184    152.178   27.428    35.368  3.9952  32.816  3.1595  2.551445       5.093515 
1 1 1 -15 6   37 o 36.202  2.7312  193.810   24.529    178.956   40.949    202.123   30.634    34.561  4.5328  37.843  3.0481  -3.281776      5.462312 
1 1 1 -15 6   38 o 39.182  2.6120  214.846   25.883    249.722   44.785    197.355   31.715    41.142  4.1194  37.223  3.2125  3.918652       5.223971 
1 1 1 -15 6   39 o 22.015  3.5770  82.913    19.558    61.860    36.255    91.555    23.228    19.042  6.1985  24.989  3.5719  -5.947746      7.153971 
1 1 1 -15 6   40 o 38.039  2.7573  208.970   26.322    241.699   45.909    192.943   32.127    39.667  4.3949  36.411  3.3311  3.255466       5.514613 
1 1 1 -15 7   1  o 202.600 3.9243  5520.70   212.953   5500.34   300.548   5541.22   301.776   202.225 5.5487  202.975 5.5508  -0.7497559     7.848509 
1 1 1 -15 7   2  o 129.650 2.7832  2256.59   96.630    2302.38   136.267   2210.28   137.046   130.977 3.8843  128.323 3.9872  2.653595       5.566468 
1 1 1 -15 7   3  o 98.978  2.3216  1314.42   61.518    1264.98   86.897    1364.08   87.103    97.109  3.3408  100.847 3.2246  -3.737785      4.643209 
1 1 1 -15 7   4  o 77.479  2.0154  805.066   41.811    780.879   59.079    829.337   59.181    76.311  2.8904  78.646  2.8094  -2.334885      4.030772 
1 1 1 -15 7   5  f 136.548 2.8897  2503.96   105.665   2566.34   149.442   2441.58   149.423   138.253 4.0356  134.842 4.1372  3.411133       5.779470 
1 1 1 -15 7   6  o 135.090 2.8740  2451.13   103.958   2520.41   146.948   2381.72   147.089   137.007 4.0044  133.173 4.1236  3.833206       5.747941 
1 1 1 -15 7   7  o 133.855 2.8213  2406.12   101.145   2433.13   142.839   2378.95   143.244   134.611 3.9617  133.099 4.0180  1.512070       5.642640 
1 1 1 -15 7   8  o 166.619 6.8190  3748.16   304.322   3748.16   304.322   0.0000    0.0000    166.619 6.8190  ?       ?       ?              ?        
1 1 1 -15 7   9  o 216.316 4.2215  6307.27   244.588   6350.46   345.654   6263.96   346.145   217.064 5.9452  215.569 5.9949  1.494919       8.442998 
1 1 1 -15 7   10 o 173.477 3.5084  4049.00   163.010   3990.33   230.178   4108.04   230.887   172.212 4.9901  174.743 4.9330  -2.530914      7.016814 
1 1 1 -15 7   11 o 81.006  2.0880  880.269   45.302    877.753   63.764    882.834   64.373    80.890  2.9430  81.123  2.9626  -0.2328568     4.175955 
1 1 1 -15 7   12 o 186.626 3.7429  4690.42   187.096   4682.34   264.211   4698.54   264.978   186.465 5.2901  186.786 5.2963  -0.3210602     7.485754 
1 1 1 -15 7   13 o 77.894  2.0921  814.361   43.632    834.538   61.395    793.771   62.020    78.872  2.9062  76.916  3.0104  1.955338       4.184298 
1 1 1 -15 7   14 o 154.747 3.2079  3220.64   132.962   3210.97   187.637   3230.39   188.439   154.514 4.5338  154.980 4.5395  -0.4658356     6.415746 
1 1 1 -15 7   15 o 136.325 2.9136  2498.17   106.376   2531.64   150.089   2464.39   150.790   137.247 4.0828  135.403 4.1577  1.844040       5.827169 
1 1 1 -15 7   16 o 72.896  2.0949  713.903   40.851    749.808   57.473    677.241   58.076    74.755  2.8704  71.037  3.0522  3.718094       4.189879 
1 1 1 -15 7   17 o 95.423  2.3863  1223.10   60.981    1243.16   85.956    1202.76   86.527    96.215  3.3354  94.632  3.4137  1.582382       4.772641 
1 1 1 -15 7   18 o 60.044  2.3858  503.207   35.661    541.318   44.254    432.629   60.224    63.517  2.6012  56.572  4.0003  6.945335       4.771635 
1 1 1 -15 7   19 o 24.930  1.9801  84.706    12.950    88.273    17.904    80.793    18.754    25.507  2.6597  24.353  2.9341  1.153570       3.960181 
1 1 1 -15 7   20 o 56.435  1.8935  427.876   28.607    433.247   39.953    422.226   40.979    56.801  2.6261  56.068  2.7287  0.7331085      3.787092 
1 1 1 -15 7   21 o 130.738 2.8888  2306.85   101.107   2211.76   142.354   2403.64   143.628   128.002 4.1521  133.473 4.0175  -5.470474      5.777541 
1 1 1 -15 7   22 o 102.512 2.4498  1416.94   67.258    1430.60   94.691    1403.02   95.548    103.017 3.4317  102.006 3.4971  1.010757       4.899604 
1 1 1 -15 7   23 f 82.366  2.2013  914.461   48.561    906.494   68.206    922.650   69.154    82.004  3.1053  82.729  3.1209  -0.7248230     4.402540 
1 1 1 -15 7   24 o 93.002  2.3140  1168.53   57.640    1153.44   81.077    1183.96   81.961    92.393  3.2762  93.610  3.2688  -1.216331      4.628048 
1 1 1 -15 7   25 o 98.792  2.4299  1322.42   64.297    1307.19   90.536    1337.93   91.327    98.216  3.4415  99.368  3.4313  -1.151649      4.859851 
1 1 1 -15 7   26 o 75.716  3.0257  776.031   61.363    0.0000    0.0000    776.031   61.363    ?       ?       75.716  3.0257  ?              ?        
1 1 1 -15 7   27 f 81.257  2.2105  896.109   48.092    919.235   67.793    872.682   68.233    82.330  3.0743  80.184  3.1770  2.145798       4.420909 
1 1 1 -15 7   28 o 47.342  1.9401  304.481   24.483    292.130   34.389    317.177   34.865    46.356  2.7825  48.328  2.7043  -1.972450      3.880135 
1 1 1 -15 7   29 o 62.126  2.0129  524.036   33.483    505.350   47.155    543.037   47.552    60.997  2.8863  63.254  2.8067  -2.257599      4.025889 
1 1 1 -15 7   30 o 23.726  2.1953  78.051    13.608    75.007    19.159    81.150    19.333    23.238  3.1601  24.215  3.0482  -0.9771557     4.390660 
1 1 1 -15 7   31 o 25.896  2.1532  92.903    14.648    92.313    20.537    93.515    20.899    25.816  3.0274  25.976  3.0627  -0.1594944     4.306443 
1 1 1 -15 7   32 o 16.911  2.6438  41.213    11.665    44.461    16.586    38.033    16.409    17.604  3.6379  16.218  3.8373  1.386530       5.287615 
1 1 1 -15 7   33 o 17.386  2.6810  43.467    12.151    35.643    16.526    52.675    17.929    15.627  3.9471  19.144  3.6292  -3.517017      5.361936 
1 1 1 -15 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 7   35 o 14.029  3.0410  30.269    13.991    4.5972    24.616    42.520    17.004    11.092  4.7225  16.965  3.8325  -5.873209      6.081951 
1 1 1 -15 7   36 o 33.802  2.5581  152.943   21.941    215.171   37.581    120.761   27.026    38.656  3.6737  28.947  3.5608  9.709555       5.116208 
1 1 1 -15 7   37 o 26.723  3.1251  110.275   19.936    98.938    34.612    115.904   24.387    24.987  5.3340  28.459  3.2579  -3.472612      6.250295 
1 1 1 -15 7   38 o 22.917  3.4993  88.443    19.501    66.713    35.530    97.812    23.329    19.876  6.0947  25.959  3.4400  -6.083479      6.998506 
1 1 1 -15 7   39 o 20.441  3.0107  44.042    17.171    139.625   32.940    8.3764    20.121    30.383  4.1567  10.499  4.3565  19.88354       6.021410 
1 1 1 -15 7   40 o 27.206  3.3222  115.170   21.416    126.758   39.427    110.320   25.506    27.260  5.5875  27.151  3.5957  0.1092472      6.644467 
1 1 1 -15 8   1  o 218.541 4.2381  6431.58   248.075   6460.57   350.307   6402.42   351.356   219.039 5.9709  218.042 6.0161  0.9969788      8.476152 
1 1 1 -15 8   2  o 54.898  1.8026  404.413   26.479    422.813   37.279    385.677   37.617    56.161  2.4782  53.635  2.6184  2.526001       3.605226 
1 1 1 -15 8   3  o 74.129  2.0054  736.878   39.819    739.044   56.295    734.710   56.329    74.238  2.8311  74.020  2.8411  0.2183380      4.010887 
1 1 1 -15 8   4  o 105.067 2.4246  1481.25   68.233    1484.90   96.619    1477.62   96.373    105.196 3.4291  104.938 3.4287  0.2582245      4.849183 
1 1 1 -15 8   5  o 336.556 6.3213  15374.72  569.830   15498.34  806.097   15251.23  805.626   337.925 8.9059  335.186 8.9734  2.738586       12.64268 
1 1 1 -15 8   6  o 260.339 6.0116  9090.91   397.626   9508.25   686.817   8880.50   487.664   264.294 9.7021  256.383 7.1014  7.911346       12.02329 
1 1 1 -15 8   7  o 42.088  2.5273  238.915   26.611    351.704   39.957    149.018   35.672    51.123  2.9302  33.054  4.1186  18.06929       5.054628 
1 1 1 -15 8   8  o 152.736 3.1072  3135.48   127.109   3098.39   179.580   3172.71   179.938   151.829 4.4159  153.644 4.3724  -1.815384      6.214317 
1 1 1 -15 8   9  o 76.983  2.0680  795.115   42.635    808.433   60.146    781.664   60.446    77.633  2.8925  76.334  2.9564  1.298828       4.136018 
1 1 1 -15 8   10 o 104.323 2.4139  1460.93   67.447    1468.64   95.143    1453.14   95.629    104.601 3.3959  104.045 3.4315  0.5558243      4.827722 
1 1 1 -15 8   11 o 103.416 2.4216  1435.92   67.067    1459.66   94.618    1411.94   95.078    104.278 3.3876  102.554 3.4613  1.723724       4.843164 
1 1 1 -15 8   12 o 157.649 3.2248  3342.71   136.168   3348.68   192.256   3336.69   192.888   157.792 4.5489  157.506 4.5721  0.2862396      6.449566 
1 1 1 -15 8   13 f 94.574  2.2950  1200.39   58.131    1181.13   81.852    1219.98   82.573    93.808  3.2576  95.340  3.2335  -1.532082      4.589967 
1 1 1 -15 8   14 o 144.777 3.0639  2818.40   118.812   2805.00   167.636   2831.93   168.417   144.432 4.3333  145.123 4.3327  -0.6918335     6.127777 
1 1 1 -15 8   15 o 61.702  1.9259  510.750   31.788    476.680   44.590    545.959   45.329    59.607  2.7928  63.798  2.6527  -4.190144      3.851849 
1 1 1 -15 8   16 o 177.710 3.5617  4255.79   169.531   4226.69   239.308   4285.10   240.200   177.098 5.0449  178.321 5.0290  -1.222855      7.123347 
1 1 1 -15 8   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 8   18 o 56.271  1.9020  425.024   28.665    424.136   40.279    425.935   40.804    56.212  2.6752  56.329  2.7044  -0.1176910     3.804057 
1 1 1 -15 8   19 o 51.751  1.9046  361.392   26.238    392.452   36.823    329.355   37.397    54.067  2.5427  49.435  2.8362  4.632015       3.809141 
1 1 1 -15 8   20 o 114.271 2.6213  1759.70   80.227    1772.26   113.101   1746.97   113.819   114.686 3.6818  113.856 3.7322  0.8305359      5.242674 
1 1 1 -15 8   21 o 144.476 3.1140  2824.82   120.501   2830.03   170.010   2819.55   170.820   144.615 4.3891  144.337 4.4185  0.2781372      6.227915 
1 1 1 -15 8   22 o 13.207  2.4357  24.346    8.6886    23.446    11.850    25.393    12.777    12.946  3.3807  13.468  3.5072  -0.5218306     4.871339 
1 1 1 -15 8   23 o 25.987  1.9621  92.285    13.393    99.351    18.777    84.966    19.109    27.037  2.6260  24.937  2.9161  2.100216       3.924190 
1 1 1 -15 8   24 o 72.266  2.1096  705.566   40.822    712.848   57.249    698.034   58.227    72.654  2.9418  71.878  3.0244  0.7758713      4.219144 
1 1 1 -15 8   25 o 76.343  2.1694  790.056   44.283    837.588   62.338    741.638   62.916    78.693  2.9576  73.993  3.1746  4.699867       4.338768 
1 1 1 -15 8   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 8   27 o 29.009  1.9529  115.102   14.962    118.245   20.743    111.692   21.602    29.446  2.6586  28.571  2.8612  0.8751259      3.905727 
1 1 1 -15 8   28 o 28.649  2.0184  112.312   15.263    109.795   20.982    115.141   22.245    28.317  2.8032  28.982  2.9047  -0.6648693     4.036709 
1 1 1 -15 8   29 o 53.746  1.9644  392.838   28.139    355.240   39.205    432.786   40.412    51.025  2.8804  56.466  2.6720  -5.440517      3.928872 
1 1 1 -15 8   30 o 43.604  2.0004  260.375   23.217    269.357   32.620    251.155   33.051    44.393  2.7570  42.815  2.8991  1.577847       4.000768 
1 1 1 -15 8   31 o 28.826  2.1397  115.178   16.262    118.624   22.854    111.644   23.144    29.290  2.9534  28.363  3.0969  0.9275208      4.279404 
1 1 1 -15 8   32 o 21.658  2.5045  66.701    13.963    57.874    19.393    76.203    20.120    20.069  3.7454  23.248  3.3259  -3.179188      5.008965 
1 1 1 -15 8   33 o 33.618  2.0883  157.922   18.519    168.325   25.639    146.573   26.779    34.865  2.7683  32.372  3.1273  2.492588       4.176551 
1 1 1 -15 8   34 o 9.2109  2.5151  6.0407    9.6471    15.971    13.068    -5.8507   14.301    10.915  3.7253  7.5065  3.3803  3.408900       5.030295 
1 1 1 -15 8   35 o 35.750  2.1117  179.906   20.002    187.740   28.006    171.749   28.577    36.609  2.8793  34.891  3.0897  1.718315       4.223378 
1 1 1 -15 8   36 o 10.095  2.6687  8.4356    10.408    -2.0632   13.875    21.940    15.737    7.8101  3.4335  12.380  4.0864  -4.569590      5.337355 
1 1 1 -15 8   37 o 25.753  2.4331  96.354    16.287    100.824   22.453    91.389    23.661    26.506  3.2292  25.000  3.6404  1.506050       4.866252 
1 1 1 -15 8   38 o 18.796  3.6870  53.952    17.668    66.801    33.997    49.197    20.680    19.803  5.9384  17.789  4.3715  2.014456       7.373926 
1 1 1 -15 8   39 o 22.494  3.6376  85.828    20.080    76.788    37.201    89.544    23.854    20.607  6.2193  24.380  3.7748  -3.773628      7.275270 
1 1 1 -15 9   1  o 282.152 5.3440  10764.22  403.862   10690.69  570.490   10838.10  571.808   281.180 7.5748  283.125 7.5402  -1.944305      10.68799 
1 1 1 -15 9   2  o 138.099 2.9231  2561.72   108.118   2584.70   152.623   2538.56   153.184   138.723 4.1075  137.475 4.1601  1.248688       5.846195 
1 1 1 -15 9   3  o 161.654 3.3425  3513.34   144.724   3536.12   204.720   3490.57   204.622   162.180 4.7127  161.128 4.7412  1.051651       6.684999 
1 1 1 -15 9   4  o 126.532 2.7006  2149.70   91.525    2164.55   129.617   2134.94   129.256   126.968 3.8113  126.095 3.8270  0.8725586      5.401155 
1 1 1 -15 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 9   6  o 34.194  1.6870  157.594   15.329    168.587   21.795    146.833   21.564    35.387  2.3122  33.002  2.4571  2.384808       3.373967 
1 1 1 -15 9   7  o 97.537  2.3279  1276.74   60.817    1284.55   86.088    1268.96   85.928    97.836  3.2851  97.239  3.2992  0.5963211      4.655817 
1 1 1 -15 9   8  o 175.262 3.4670  4133.29   162.749   4171.15   230.191   4095.45   230.132   176.068 4.8811  174.456 4.9250  1.612366       6.934000 
1 1 1 -15 9   9  o 116.431 2.5911  1820.47   80.803    1836.23   114.187   1804.66   114.357   116.937 3.6457  115.924 3.6830  1.012756       5.182214 
1 1 1 -15 9   10 o 172.997 3.4876  4028.24   161.601   4052.25   228.343   4004.14   228.734   173.517 4.9131  172.477 4.9512  1.039917       6.975177 
1 1 1 -15 9   11 o 55.988  1.8574  420.328   27.850    409.191   39.114    431.778   39.662    55.235  2.6438  56.740  2.6097  -1.505020      3.714873 
1 1 1 -15 9   12 o 210.755 4.1331  5991.73   233.313   5990.52   329.652   5992.95   330.259   210.735 5.8402  210.775 5.8499  -0.4020691E-01 8.266152 
1 1 1 -15 9   13 o 155.057 3.2244  3234.52   133.902   3179.90   188.986   3289.59   189.747   153.738 4.5895  156.376 4.5302  -2.638382      6.448706 
1 1 1 -15 9   14 o 92.500  2.2694  1148.54   56.223    1128.26   79.175    1169.16   79.851    91.676  3.2244  93.325  3.1944  -1.649246      4.538822 
1 1 1 -15 9   15 o 83.040  2.1612  926.186   48.038    959.623   67.693    892.264   68.181    84.555  2.9889  81.525  3.1224  3.029869       4.322384 
1 1 1 -15 9   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 9   17 o 42.368  1.8430  241.851   20.796    229.467   29.240    254.530   29.585    41.261  2.6599  43.475  2.5518  -2.214104      3.685979 
1 1 1 -15 9   18 f 169.369 3.5126  3877.72   159.348   3885.97   225.009   3869.42   225.698   169.554 4.9546  169.184 4.9806  0.3696594      7.025213 
1 1 1 -15 9   19 o 78.212  2.1406  822.521   44.842    815.901   63.035    829.304   63.804    77.894  3.0213  78.530  3.0334  -0.6359329     4.281283 
1 1 1 -15 9   20 o 24.523  2.0153  82.243    12.937    87.583    18.004    76.541    18.602    25.383  2.6890  23.663  3.0026  1.720276       4.030689 
1 1 1 -15 9   21 o 71.252  2.0793  683.647   39.680    678.025   55.754    689.417   56.484    70.956  2.9336  71.548  2.9474  -0.5917130     4.158506 
1 1 1 -15 9   22 o 24.808  1.9759  83.947    12.900    83.285    18.104    84.629    18.385    24.709  2.7839  24.907  2.8047  -0.1977825     3.951786 
1 1 1 -15 9   23 f 80.957  2.2246  886.317   48.218    907.995   67.851    864.199   68.537    81.971  3.0903  79.944  3.2007  2.027313       4.449153 
1 1 1 -15 9   24 o 63.997  2.0308  553.897   34.787    572.543   48.957    534.881   49.440    65.099  2.8077  62.896  2.9347  2.202911       4.061516 
1 1 1 -15 9   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 9   26 f 46.629  1.9289  295.391   23.974    302.034   33.674    288.564   34.140    47.174  2.6761  46.083  2.7789  1.091267       3.857894 
1 1 1 -15 9   27 o 46.480  1.9376  293.376   23.951    265.336   33.222    323.723   34.561    44.141  2.8247  48.819  2.6530  -4.677822      3.875226 
1 1 1 -15 9   28 o 22.453  2.2103  70.081    12.895    71.745    17.744    68.219    18.772    22.776  2.9801  22.130  3.2650  0.6459160      4.420515 
1 1 1 -15 9   29 o 50.816  1.9976  352.745   27.077    350.845   37.872    354.731   38.728    50.685  2.8005  50.948  2.8494  -0.2634697     3.995227 
1 1 1 -15 9   30 o 58.228  2.0833  464.970   32.404    479.933   45.495    449.565   46.164    59.250  2.8667  57.206  3.0236  2.044376       4.166542 
1 1 1 -15 9   31 o 22.288  2.4178  69.479    13.694    51.896    18.411    91.251    20.488    18.991  3.7525  25.585  3.0498  -6.593130      4.835556 
1 1 1 -15 9   32 o 6.4944  2.1143  -9.4025   8.4858    -13.4365  11.418    -4.4242   12.684    5.7706  2.7386  7.2182  3.2219  -1.447615      4.228511 
1 1 1 -15 9   33 o 6.7378  3.1950  -17.2941  15.479    -17.2941  15.479    0.0000    0.0000    6.7378  3.1950  ?       ?       ?              ?        
1 1 1 -15 9   34 o 33.148  2.1680  155.882   18.856    171.986   26.155    138.455   27.208    35.087  2.8065  31.209  3.3052  3.878691       4.335964 
1 1 1 -15 9   35 o 13.810  2.8624  27.543    11.632    18.075    15.870    38.534    17.099    11.606  4.0970  16.014  3.9986  -4.408172      5.724869 
1 1 1 -15 9   36 o 10.225  2.7098  8.9075    11.049    22.494    15.739    -4.2968   15.516    12.475  4.0851  7.9751  3.5614  4.499794       5.419542 
1 1 1 -15 9   37 o 22.576  2.6502  75.832    15.401    83.217    21.650    68.267    21.913    23.854  3.4919  21.299  3.9877  2.554918       5.300464 
1 1 1 -15 9   38 o 27.991  2.4205  115.217   17.705    120.372   24.549    109.629   25.560    28.774  3.2417  27.208  3.5954  1.566427       4.841049 
1 1 1 -15 10  1  f 93.123  2.2161  1163.74   55.263    1184.28   77.814    1142.83   78.499    93.955  3.0921  92.291  3.1755  1.663521       4.432251 
1 1 1 -15 10  2  o 121.106 2.6542  1969.31   86.093    1946.35   121.461   1992.49   122.048   120.396 3.7665  121.817 3.7406  -1.420799      5.308304 
1 1 1 -15 10  3  o 326.915 6.2901  14527.24  550.693   14224.42  778.589   14830.38  779.006   323.456 8.9868  330.374 8.8033  -6.917725      12.58017 
1 1 1 -15 10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 10  5  o 47.323  1.7482  301.128   22.080    298.435   31.354    303.778   31.099    47.111  2.4936  47.536  2.4509  -0.4241638     3.496428 
1 1 1 -15 10  6  o 147.923 3.0827  2941.58   122.139   2934.15   172.920   2948.97   172.542   147.736 4.3699  148.111 4.3493  -0.3752289     6.165405 
1 1 1 -15 10  7  o 157.297 3.2022  3327.66   134.893   3397.00   190.962   3258.61   190.574   158.939 4.4857  155.655 4.5710  3.283371       6.404321 
1 1 1 -15 10  8  o 45.388  1.7481  277.097   21.163    286.477   30.004    267.810   29.854    46.158  2.4355  44.619  2.5082  1.539211       3.496105 
1 1 1 -15 10  9  o 58.584  1.8935  460.450   29.695    480.203   42.090    440.875   41.900    59.837  2.6262  57.331  2.7286  2.505955       3.787089 
1 1 1 -15 10  10 o 68.113  1.9732  622.374   35.997    613.537   50.839    631.257   50.975    67.628  2.8066  68.599  2.7743  -0.9709396     3.946359 
1 1 1 -15 10  11 o 66.040  1.9833  585.058   35.079    573.878   49.457    596.376   49.763    65.404  2.8231  66.675  2.7865  -1.271156      3.966656 
1 1 1 -15 10  12 o 169.040 3.4564  3847.24   156.493   3828.41   221.051   3866.16   221.579   168.624 4.8942  169.456 4.8818  -0.8316956     6.912717 
1 1 1 -15 10  13 o 69.063  2.0124  640.182   37.216    653.809   52.430    626.345   52.835    69.806  2.8041  68.320  2.8872  1.485695       4.024828 
1 1 1 -15 10  14 o 160.459 3.2558  3466.79   139.931   3447.73   197.545   3486.00   198.240   160.016 4.6091  160.903 4.5998  -0.8874817     6.511674 
1 1 1 -15 10  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 10  16 o 143.329 3.0698  2768.51   117.834   2814.27   166.376   2722.46   166.910   144.526 4.2979  142.132 4.3843  2.394150       6.139554 
1 1 1 -15 10  17 o 95.333  2.3438  1222.68   59.828    1253.74   84.381    1191.28   84.841    96.557  3.2627  94.109  3.3658  2.448128       4.687577 
1 1 1 -15 10  18 o 154.731 3.2308  3237.16   133.874   3303.02   189.049   3170.90   189.607   156.327 4.5149  153.135 4.6226  3.192291       6.461685 
1 1 1 -15 10  19 o 85.457  2.2187  983.142   50.784    975.881   71.436    990.560   72.207    85.138  3.1326  85.775  3.1429  -0.6364594     4.437470 
1 1 1 -15 10  20 o 65.558  2.0014  578.463   35.141    568.036   49.336    589.201   50.066    64.958  2.8356  66.159  2.8253  -1.200340      4.002885 
1 1 1 -15 10  21 o 70.149  2.0192  663.133   37.938    653.949   53.315    672.554   53.995    69.656  2.8576  70.641  2.8537  -0.9845352     4.038486 
1 1 1 -15 10  22 o 101.336 2.4713  1390.95   67.076    1375.84   94.465    1406.31   95.259    100.780 3.4995  101.893 3.4904  -1.112709      4.942622 
1 1 1 -15 10  23 o 96.991  2.4267  1276.16   63.040    1257.08   88.719    1295.62   89.592    96.256  3.4411  97.727  3.4227  -1.471306      4.853445 
1 1 1 -15 10  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 10  25 o 64.985  2.0487  572.683   35.636    590.607   50.077    554.292   50.724    66.033  2.8313  63.937  2.9619  2.096268       4.097485 
1 1 1 -15 10  26 o 88.624  2.3291  1070.22   55.278    1085.62   77.825    1054.54   78.529    89.286  3.2542  87.963  3.3331  1.323158       4.658259 
1 1 1 -15 10  27 o 50.611  1.9521  348.779   26.355    349.334   36.857    348.198   37.702    50.663  2.7261  50.559  2.7949  0.1032066      3.904221 
1 1 1 -15 10  28 o 53.736  2.0067  394.422   28.767    399.854   40.266    388.759   41.112    54.134  2.7865  53.339  2.8884  0.7948837      4.013414 
1 1 1 -15 10  29 o 51.145  2.0074  358.221   27.387    353.390   38.358    363.244   39.116    50.795  2.8306  51.494  2.8471  -0.6988564     4.014719 
1 1 1 -15 10  30 o 17.017  2.6781  41.408    11.895    34.897    16.081    49.274    17.675    15.512  3.8802  18.522  3.6923  -3.009657      5.356212 
1 1 1 -15 10  31 o 30.413  2.1894  131.323   17.140    156.626   23.807    104.091   24.697    33.696  2.6593  27.130  3.4787  6.565569       4.378755 
1 1 1 -15 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 10  33 o 32.742  2.1413  150.468   18.548    143.460   25.576    158.240   26.937    31.935  3.0262  33.550  3.0303  -1.614370      4.282607 
1 1 1 -15 10  34 o 15.061  2.9055  34.207    12.058    36.158    16.489    31.962    17.680    15.536  3.9528  14.587  4.2594  0.9486618      5.810953 
1 1 1 -15 10  35 o 21.260  2.7212  67.699    14.717    47.602    20.555    88.842    21.083    17.637  4.3728  24.884  3.2400  -7.247097      5.442352 
1 1 1 -15 10  36 o 24.123  2.6471  87.932    16.061    105.322   21.979    68.008    23.526    27.143  3.0776  21.104  4.3077  6.038559       5.294109 
1 1 1 -15 10  37 o 9.8770  2.8309  8.4240    11.696    11.241    16.795    5.7718    16.297    10.347  4.0915  9.4073  3.9135  0.9393959      5.661787 
1 1 1 -15 10  38 o 11.648  2.8019  15.724    11.890    -0.8636   16.171    35.244    17.542    8.3967  3.6986  14.899  4.2098  -6.501951      5.603751 
1 1 1 -15 11  1  o 122.297 3.1844  1991.54   99.195    2073.95   170.391   1949.29   121.999   124.120 5.1252  120.474 3.7807  3.645668       6.368822 
1 1 1 -15 11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 11  3  o 32.628  1.7507  144.473   15.024    167.603   21.264    121.415   21.231    35.286  2.2618  29.969  2.6729  5.316206       3.501425 
1 1 1 -15 11  4  o 104.535 2.4558  1467.13   68.757    1454.09   97.333    1480.12   97.142    104.070 3.4918  104.999 3.4541  -0.9299240     4.911534 
1 1 1 -15 11  5  f 250.341 4.8505  8475.75   325.227   8381.83   460.125   8569.52   459.757   248.940 6.9007  251.741 6.8184  -2.801086      9.701051 
1 1 1 -15 11  6  o 72.738  1.9936  709.818   38.839    702.649   55.053    716.921   54.801    72.372  2.8400  73.105  2.7987  -0.7331009     3.987268 
1 1 1 -15 11  7  o 102.124 2.3673  1400.27   64.732    1448.12   91.763    1352.88   91.327    103.864 3.2985  100.384 3.3966  3.480698       4.734656 
1 1 1 -15 11  8  o 132.212 2.8301  2349.13   100.218   2369.00   141.904   2329.35   141.557   132.771 3.9903  131.653 4.0143  1.118683       5.660122 
1 1 1 -15 11  9  o 68.004  2.0172  620.577   36.723    646.718   52.072    594.711   51.797    69.431  2.8000  66.577  2.9047  2.854561       4.034481 
1 1 1 -15 11  10 o 97.584  2.3749  1278.56   62.070    1295.17   87.837    1261.99   87.725    98.219  3.3388  96.950  3.3782  1.268867       4.749733 
1 1 1 -15 11  11 o 208.616 4.0888  5873.46   228.469   5895.11   323.022   5851.79   323.184   209.004 5.7702  208.228 5.7946  0.7761383      8.177544 
1 1 1 -15 11  12 o 102.065 2.4212  1399.13   66.187    1380.14   93.467    1418.24   93.740    101.369 3.4424  102.762 3.4057  -1.392792      4.842403 
1 1 1 -15 11  13 o 198.369 3.9064  5312.51   207.557   5287.16   293.254   5337.95   293.807   197.892 5.5326  198.845 5.5164  -0.9529266     7.812818 
1 1 1 -15 11  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 11  15 o 63.436  1.9580  540.260   33.264    528.248   46.786    552.539   47.302    62.722  2.7849  64.150  2.7529  -1.427849      3.915907 
1 1 1 -15 11  16 o 70.008  2.0459  658.509   38.362    653.477   53.980    663.643   54.528    69.738  2.8899  70.277  2.8968  -0.5398026     4.091787 
1 1 1 -15 11  17 o 114.307 2.6175  1761.00   80.139    1762.10   112.942   1759.90   113.730   114.346 3.6876  114.269 3.7158  0.7688141E-01  5.235090 
1 1 1 -15 11  18 f 62.367  1.9746  523.147   32.983    523.043   46.361    523.253   46.936    62.362  2.7755  62.372  2.8095  -0.9262085E-02 3.949258 
1 1 1 -15 11  19 o 146.223 3.1076  2899.82   121.678   2815.38   171.534   2985.34   172.630   144.059 4.4455  148.387 4.3434  -4.327606      6.215112 
1 1 1 -15 11  20 o 95.750  2.3398  1238.37   60.005    1226.34   84.476    1250.61   85.250    95.281  3.3101  96.219  3.3078  -0.9386292     4.679577 
1 1 1 -15 11  21 o 50.616  1.9212  346.372   25.944    335.622   36.380    357.496   37.009    49.811  2.7373  51.421  2.6965  -1.609852      3.842380 
1 1 1 -15 11  22 o 74.900  2.1305  758.769   42.738    747.047   60.051    770.799   60.836    74.313  3.0170  75.487  3.0089  -1.174118      4.260910 
1 1 1 -15 11  23 o 30.772  4.6877  133.052   37.416    0.0000    0.0000    133.052   37.416    ?       ?       30.772  4.6877  ?              ?        
1 1 1 -15 11  24 o 63.920  2.0594  553.700   35.256    544.522   49.541    563.117   50.184    63.382  2.9181  64.459  2.9067  -1.076138      4.118776 
1 1 1 -15 11  25 o 60.488  1.9987  496.235   32.375    498.243   45.391    494.157   46.191    60.620  2.7955  60.355  2.8573  0.2655716      3.997363 
1 1 1 -15 11  26 o 54.781  1.9939  408.731   29.149    411.533   40.806    405.811   41.652    54.986  2.7797  54.576  2.8593  0.4098473      3.987756 
1 1 1 -15 11  27 o 26.569  2.1966  99.661    14.815    123.868   20.752    74.500    21.157    30.095  2.6000  23.042  3.5413  7.052355       4.393288 
1 1 1 -15 11  28 o 52.936  2.0208  384.116   28.510    410.340   40.037    357.139   40.608    54.862  2.7246  51.010  2.9851  3.851166       4.041608 
1 1 1 -15 11  29 o 49.473  2.0293  336.683   26.757    343.125   37.443    329.960   38.252    49.985  2.8080  48.960  2.9303  1.025097       4.058554 
1 1 1 -15 11  30 o 11.701  2.7961  18.361    10.436    20.192    14.122    16.158    15.489    12.056  3.8634  11.346  4.0430  0.7097759      5.592157 
1 1 1 -15 11  31 o 27.176  6.0469  116.341   42.881    0.0000    0.0000    116.341   42.881    ?       ?       27.176  6.0469  ?              ?        
1 1 1 -15 11  32 o 8.2776  2.4812  1.5708    9.5655    -0.4131   13.493    3.5750    13.562    7.9656  3.4452  8.5897  3.5714  -0.6240292     4.962327 
1 1 1 -15 11  33 o 26.442  2.3846  101.283   16.241    115.392   22.536    86.037    23.426    28.586  2.9874  24.297  3.7177  4.288475       4.769273 
1 1 1 -15 11  34 o 39.827  2.1582  224.985   22.741    242.063   31.706    206.889   32.636    41.518  2.8687  38.137  3.2252  3.381077       4.316401 
1 1 1 -15 11  35 o 12.739  2.6655  19.297    11.793    -2.4832   16.157    44.135    17.253    8.3424  3.6847  17.136  3.8527  -8.793336      5.331060 
1 1 1 -15 11  36 o 8.6201  2.5579  0.9810    10.652    11.094    14.571    -10.6279  15.612    9.9677  3.8488  7.2726  3.3701  2.695157       5.115723 
1 1 1 -15 11  37 o 23.717  2.7295  85.537    16.738    84.050    23.313    87.118    24.045    23.520  3.8325  23.914  3.8875  -0.3933659     5.458992 
1 1 1 -15 12  1  o 50.969  1.7778  348.970   24.218    357.721   34.075    340.037   34.426    51.649  2.4631  50.288  2.5643  1.360703       3.555645 
1 1 1 -15 12  2  o 46.412  1.7652  289.665   21.861    283.703   30.738    295.767   31.097    45.927  2.5082  46.898  2.4844  -0.9710655     3.530369 
1 1 1 -15 12  3  o 39.469  1.7517  209.928   18.385    193.739   25.909    226.346   26.092    37.921  2.5659  41.016  2.3853  -3.095345      3.503328 
1 1 1 -15 12  4  o 205.869 4.0816  5717.34   225.061   5769.68   318.483   5665.12   318.085   206.816 5.7493  204.922 5.7952  1.894287       8.163209 
1 1 1 -15 12  5  o 53.120  1.8370  379.627   26.018    348.779   36.816    410.405   36.774    50.919  2.7091  55.320  2.4818  -4.400669      3.674062 
1 1 1 -15 12  6  o 225.467 4.3963  6866.62   265.492   6839.74   375.711   6893.43   375.215   225.021 6.2336  225.913 6.2008  -0.8915863     8.792515 
1 1 1 -15 12  7  o 269.651 5.1402  9852.90   371.252   9918.84   525.355   9787.12   524.705   270.561 7.2493  268.741 7.2894  1.819824       10.28048 
1 1 1 -15 12  8  o 88.559  2.2256  1053.01   52.770    1018.99   74.701    1086.89   74.555    87.127  3.2010  89.990  3.0931  -2.862755      4.451241 
1 1 1 -15 12  9  o 28.134  1.8879  107.349   14.019    99.962    19.958    114.544   19.696    27.155  2.7833  29.112  2.5516  -1.957605      3.775863 
1 1 1 -15 12  10 o 336.624 6.4189  15477.08  578.745   15362.99  818.451   15591.18  818.487   335.358 9.1116  337.889 9.0438  -2.530518      12.83786 
1 1 1 -15 12  11 f 113.470 2.5607  1730.18   77.820    1707.42   110.049   1752.95   110.059   112.720 3.6450  114.219 3.5975  -1.498291      5.121304 
1 1 1 -15 12  12 o 135.601 2.8899  2474.01   104.963   2457.16   148.367   2490.89   148.512   135.137 4.0990  136.065 4.0750  -0.9281921     5.779893 
1 1 1 -15 12  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 12  14 o 53.198  1.8939  380.696   26.906    359.710   37.965    401.872   38.136    51.683  2.7524  54.713  2.6023  -3.029690      3.787859 
1 1 1 -15 12  15 o 52.752  1.9266  374.610   27.103    344.186   38.083    405.837   38.582    50.533  2.8249  54.970  2.6204  -4.436943      3.853152 
1 1 1 -15 12  16 o 35.570  1.9196  171.027   18.147    171.199   25.441    170.848   25.893    35.591  2.6886  35.548  2.7406  0.4320526E-01  3.839159 
1 1 1 -15 12  17 o 36.791  1.8435  182.945   18.041    185.275   25.247    180.512   25.790    37.038  2.5607  36.545  2.6528  0.4929733      3.687049 
1 1 1 -15 12  18 o 53.150  1.9124  381.151   27.133    379.715   38.114    382.628   38.636    53.050  2.6911  53.250  2.7179  -0.1995964     3.824830 
1 1 1 -15 12  19 o 91.800  2.3189  1138.71   57.005    1158.51   80.293    1118.60   80.947    92.615  3.2367  90.985  3.3215  1.629616       4.637803 
1 1 1 -15 12  20 o 60.153  1.9785  488.707   31.844    509.079   44.764    467.834   45.310    61.436  2.7203  58.870  2.8735  2.565460       3.956918 
1 1 1 -15 12  21 o 26.411  1.9988  95.458    13.803    81.751    19.269    109.902   19.781    24.404  3.0118  28.418  2.6286  -4.014271      3.997561 
1 1 1 -15 12  22 o 71.101  4.6381  698.438   87.846    0.0000    0.0000    698.438   87.846    ?       ?       71.101  4.6381  ?              ?        
1 1 1 -15 12  23 o 27.440  2.0460  104.274   14.561    122.114   20.404    85.760    20.786    29.948  2.5685  24.932  3.1855  5.016550       4.092003 
1 1 1 -15 12  24 o 6.8729  2.1233  -4.4228   7.6705    -10.8914  10.453    3.1249    11.291    5.7163  2.6844  8.0296  3.2905  -2.313306      4.246633 
1 1 1 -15 12  25 o 38.078  1.9922  199.120   20.019    223.134   28.078    174.295   28.549    40.492  2.6027  35.664  3.0170  4.827953       3.984472 
1 1 1 -15 12  26 o 40.592  1.9639  225.044   21.216    217.795   29.609    232.694   30.417    39.915  2.7869  41.269  2.7677  -1.354401      3.927741 
1 1 1 -15 12  27 o 39.586  1.9774  214.857   20.824    216.416   29.122    213.225   29.788    39.748  2.7524  39.424  2.8400  0.3239861      3.954854 
1 1 1 -15 12  28 o 41.289  2.0133  234.303   22.092    216.721   30.743    253.077   31.768    39.655  2.9148  42.922  2.7782  -3.266499      4.026674 
1 1 1 -15 12  29 o 23.430  2.3885  79.162    14.178    94.874    19.627    62.015    20.503    26.125  2.8511  20.734  3.8329  5.390942       4.777035 
1 1 1 -15 12  30 o 8.7066  3.6085  3.7226    13.782    0.0000    0.0000    3.7226    13.782    ?       ?       8.7066  3.6085  ?              ?        
1 1 1 -15 12  31 o 9.9899  2.5177  7.2791    9.7544    -6.6525   13.152    24.308    14.541    7.0539  3.2027  12.926  3.8855  -5.871864      5.035327 
1 1 1 -15 12  32 o 15.934  2.8583  37.650    12.388    28.409    16.944    48.263    18.159    13.841  4.2018  18.026  3.8761  -4.184961      5.716567 
1 1 1 -15 12  33 o 13.280  2.8683  24.869    11.679    14.142    15.965    37.220    17.130    10.852  4.0663  15.708  4.0466  -4.855838      5.736692 
1 1 1 -15 12  34 o 12.753  3.0296  23.413    12.192    21.995    16.580    25.082    17.989    12.403  4.1962  13.104  4.3711  -0.7006016     6.059269 
1 1 1 -15 12  35 o 12.481  3.0170  22.138    12.563    30.000    17.317    13.404    18.253    14.004  4.2471  10.957  4.2861  3.047830       6.033922 
1 1 1 -15 12  36 o 8.6175  2.6128  1.8604    10.921    6.1489    14.493    -3.7746   16.613    9.0351  3.7183  8.1999  3.6718  0.8352232      5.225646 
1 1 1 -15 13  1  o 82.841  2.1182  921.211   46.986    939.502   66.130    902.564   66.772    83.674  2.9506  82.008  3.0398  1.666359       4.236375 
1 1 1 -15 13  2  o 155.773 3.2360  3265.14   135.013   3229.16   190.554   3301.41   191.321   154.908 4.5926  156.637 4.5602  -1.728760      6.471994 
1 1 1 -15 13  3  o 140.919 3.0218  2670.74   114.044   2620.26   161.122   2721.43   161.443   139.580 4.3097  142.259 4.2369  -2.679138      6.043571 
1 1 1 -15 13  4  o 105.072 2.4863  1482.76   69.970    1468.77   98.994    1496.74   98.910    104.575 3.5342  105.569 3.4980  -0.9942093     4.972571 
1 1 1 -15 13  5  o 136.813 3.0088  2517.22   110.254   2552.25   156.177   2482.41   155.669   137.765 4.2324  135.861 4.2778  1.903961       6.017691 
1 1 1 -15 13  6  o 123.264 2.7562  2042.03   90.999    2035.32   128.881   2048.71   128.503   123.061 3.9100  123.468 3.8857  -0.4069977     5.512452 
1 1 1 -15 13  7  o 145.212 3.0641  2836.54   119.163   2894.56   168.854   2778.97   168.193   146.697 4.2973  143.728 4.3690  2.969315       6.128208 
1 1 1 -15 13  8  o 118.414 2.6449  1884.27   83.888    1879.11   118.801   1889.41   118.470   118.252 3.7508  118.577 3.7301  -0.3257675     5.289802 
1 1 1 -15 13  9  o 130.757 2.8504  2299.34   99.824    2276.17   141.326   2322.42   141.020   130.096 4.0557  131.418 4.0062  -1.321762      5.700787 
1 1 1 -15 13  10 o 149.688 3.1776  3017.29   127.401   3037.48   180.330   2997.18   180.014   150.190 4.4827  149.187 4.5049  1.003586       6.355217 
1 1 1 -15 13  11 o 54.349  4.0743  399.741   58.879    0.0000    0.0000    399.741   58.879    ?       ?       54.349  4.0743  ?              ?        
1 1 1 -15 13  12 o 35.997  2.1999  179.417   19.995    190.339   25.255    161.072   32.733    37.575  2.5240  34.420  3.6039  3.155209       4.399825 
1 1 1 -15 13  13 o 96.031  2.3359  1240.58   60.051    1192.93   84.835    1288.43   85.015    94.175  3.3632  97.887  3.2425  -3.711876      4.671723 
1 1 1 -15 13  14 o 128.178 2.8465  2216.15   97.722    2233.56   138.098   2198.69   138.303   128.686 4.0065  127.669 4.0444  1.016968       5.692922 
1 1 1 -15 13  15 o 50.136  1.9049  338.897   25.479    329.226   35.985    348.620   36.081    49.412  2.7295  50.860  2.6578  -1.447502      3.809732 
1 1 1 -15 13  16 o 47.816  1.8704  308.568   23.846    319.698   33.646    297.334   33.802    48.692  2.5891  46.939  2.6999  1.753326       3.740700 
1 1 1 -15 13  17 o 50.801  1.8811  348.242   25.500    337.391   35.815    359.399   36.315    49.993  2.6845  51.609  2.6358  -1.616333      3.762165 
1 1 1 -15 13  18 o 138.709 3.0132  2616.33   111.947   2615.30   157.955   2617.37   158.681   138.686 4.2522  138.732 4.2703  -0.4594421E-01 6.026334 
1 1 1 -15 13  19 o 129.126 2.8701  2270.44   99.226    2335.86   140.003   2204.41   140.653   131.031 3.9891  127.220 4.1276  3.810570       5.740245 
1 1 1 -15 13  20 o 91.231  2.3664  1129.20   57.818    1138.16   81.349    1120.06   82.192    91.607  3.3154  90.854  3.3775  0.7527695      4.732786 
1 1 1 -15 13  21 o 18.445  5.1056  48.580    26.082    0.0000    0.0000    48.580    26.082    ?       ?       18.445  5.1056  ?              ?        
1 1 1 -15 13  22 o 9.0740  2.0919  3.8167    7.6965    -13.7264  10.724    22.452    11.053    5.5322  2.6337  12.616  3.2507  -7.083467      4.183706 
1 1 1 -15 13  23 o 12.176  2.6324  20.394    9.3884    21.281    13.139    19.468    13.420    12.383  3.6868  11.969  3.7583  0.4141254      5.264753 
1 1 1 -15 13  24 o 24.690  2.1129  84.349    13.637    89.658    19.019    78.731    19.563    25.540  2.8277  23.839  3.1401  1.700523       4.225702 
1 1 1 -15 13  25 o 8.6027  2.4630  4.3310    8.8955    7.1872    12.344    1.2451    12.830    9.0618  3.5303  8.1435  3.4355  0.9182425      4.926034 
1 1 1 -15 13  26 o 48.294  1.9842  319.289   25.549    317.919   35.693    320.730   36.589    48.199  2.7765  48.390  2.8353  -0.1913681     3.968355 
1 1 1 -15 13  27 o 13.665  2.7583  26.647    10.659    22.658    14.874    30.858    15.281    12.717  3.9508  14.612  3.8503  -1.895368      5.516645 
1 1 1 -15 13  28 o 9.9457  2.6169  9.2059    9.8702    0.4067    13.804    18.410    14.118    8.2344  3.5219  11.657  3.8716  -3.422677      5.233840 
1 1 1 -15 13  29 o 21.338  2.5274  65.516    13.852    55.573    19.323    76.026    19.867    19.533  3.8303  23.143  3.2983  -3.610315      5.054729 
1 1 1 -15 13  30 o 10.750  2.7984  13.582    10.650    10.047    14.522    17.694    15.664    9.9256  3.8396  11.574  4.0721  -1.648384      5.596797 
1 1 1 -15 13  31 o 21.996  2.6493  72.969    14.584    96.504    20.412    48.431    20.843    26.134  2.9687  17.858  4.3888  8.276606       5.298592 
1 1 1 -15 13  32 o 9.7574  2.6229  5.0327    10.517    -8.1297   14.020    21.969    15.904    7.1212  3.2612  12.394  4.1088  -5.272274      5.245718 
1 1 1 -15 13  33 o 7.3511  2.3386  -5.0927   9.6230    -6.1668   13.099    -3.8331   14.184    7.0488  3.1987  7.6534  3.4123  -0.6045890     4.677154 
1 1 1 -15 13  34 o 16.410  2.9762  41.049    13.401    29.855    18.317    53.939    19.656    13.986  4.3907  18.833  4.0190  -4.846437      5.952358 
1 1 1 -15 13  35 o 14.145  3.0532  31.454    12.820    36.653    17.452    25.362    18.893    15.304  4.1519  12.987  4.4776  2.316766       6.106349 
1 1 1 -15 14  1  o 52.548  1.8263  370.814   25.647    354.911   36.014    387.179   36.534    51.370  2.6262  53.727  2.5387  -2.357143      3.652651 
1 1 1 -15 14  2  o 102.216 2.4250  1403.19   66.377    1363.80   93.546    1443.13   94.201    100.768 3.4659  103.664 3.3926  -2.895630      4.849979 
1 1 1 -15 14  3  o 156.690 3.3176  3305.31   139.235   3296.81   196.705   3313.84   197.111   156.488 4.6929  156.892 4.6905  -0.4039459     6.635117 
1 1 1 -15 14  4  o 119.825 2.6703  1929.46   85.702    1920.10   121.189   1938.81   121.213   119.533 3.7852  120.116 3.7675  -0.5828171     5.340583 
1 1 1 -15 14  5  o 155.359 3.2259  3248.90   134.235   3221.72   189.991   3276.00   189.683   154.707 4.5850  156.012 4.5392  -1.305511      6.451837 
1 1 1 -15 14  6  o 21.704  2.0588  64.329    11.665    65.636    16.653    63.069    16.344    21.924  2.9074  21.483  2.9158  0.4417191      4.117653 
1 1 1 -15 14  7  o 227.012 4.4016  6971.11   267.636   6935.96   378.790   7006.16   378.199   226.433 6.2455  227.591 6.2041  -1.158035      8.803259 
1 1 1 -15 14  8  f 90.605  2.2874  1102.75   55.479    1151.88   78.750    1054.35   78.171    92.614  3.1746  88.597  3.2941  4.016937       4.574848 
1 1 1 -15 14  9  o 216.492 4.2376  6343.38   245.725   6372.80   347.746   6314.04   347.271   216.997 5.9830  215.986 6.0028  1.010101       8.475257 
1 1 1 -15 14  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 14  11 o 84.096  2.2124  950.508   49.833    959.269   70.632    941.824   70.317    84.482  3.1214  83.709  3.1362  0.7730942      4.424762 
1 1 1 -15 14  12 o 156.398 3.2571  3304.96   136.442   3321.18   193.026   3288.76   192.889   156.785 4.5964  156.012 4.6160  0.7730103      6.514170 
1 1 1 -15 14  13 o 82.045  2.2047  905.933   48.425    871.387   68.399    940.648   68.567    80.470  3.1734  83.621  3.0613  -3.150787      4.409363 
1 1 1 -15 14  14 o 56.177  1.9423  425.036   29.160    441.026   41.298    409.138   41.179    57.271  2.6922  55.082  2.8003  2.188488       3.884541 
1 1 1 -15 14  15 o 28.381  1.9481  110.204   14.404    89.917    20.282    130.848   20.460    25.664  3.0075  31.098  2.4768  -5.434195      3.896142 
1 1 1 -15 14  16 o 45.603  1.8628  280.908   22.655    276.704   32.020    285.123   32.058    45.257  2.6530  45.948  2.6156  -0.6910477     3.725592 
1 1 1 -15 14  17 o 80.947  2.1814  884.972   47.295    878.307   66.648    891.734   67.125    80.640  3.0857  81.254  3.0842  -0.6143646     4.362783 
1 1 1 -15 14  18 o 81.198  2.1887  891.984   47.593    908.824   67.153    874.989   67.462    81.978  3.0583  80.418  3.1320  1.559486       4.377491 
1 1 1 -15 14  19 o 56.609  1.9678  433.633   29.773    416.786   41.831    450.930   42.385    55.451  2.8258  57.767  2.7393  -2.315693      3.935619 
1 1 1 -15 14  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 14  21 o 49.458  1.9537  332.867   25.727    352.381   36.133    312.803   36.639    50.962  2.6563  47.955  2.8656  3.007019       3.907405 
1 1 1 -15 14  22 o 12.886  2.4185  22.621    9.4195    37.627    13.327    7.6407    13.315    16.363  3.1551  9.4082  3.6662  6.954718       4.836915 
1 1 1 -15 14  23 o 32.790  1.9783  147.097   17.208    146.886   24.221    147.313   24.453    32.769  2.7860  32.811  2.8094  -0.4206848E-01 3.956599 
1 1 1 -15 14  24 o 31.229  2.0126  133.887   16.640    133.803   23.150    133.977   23.935    31.232  2.7971  31.226  2.8947  0.5424500E-02  4.025241 
1 1 1 -15 14  25 o 49.485  2.0022  335.463   26.420    336.757   36.973    334.112   37.766    49.597  2.7946  49.373  2.8681  0.2242470      4.004470 
1 1 1 -15 14  26 o 21.670  2.3946  66.367    13.416    61.058    18.846    71.822    19.103    20.730  3.5199  22.610  3.2475  -1.880207      4.789153 
1 1 1 -15 14  27 o 15.986  2.7436  37.460    11.716    43.881    16.416    30.794    16.727    17.428  3.6344  14.544  4.1111  2.883116       5.487279 
1 1 1 -15 14  28 o 58.360  2.1246  473.091   33.093    465.431   46.345    481.059   47.270    57.880  2.9997  58.839  3.0094  -0.9590225     4.249110 
1 1 1 -15 14  29 o 23.214  2.7115  75.790    15.977    64.371    20.359    94.097    25.779    21.010  3.7557  25.418  3.9120  -4.408375      5.422983 
1 1 1 -15 14  30 o 10.179  2.6865  10.764    10.427    19.247    14.343    1.2546    15.186    11.725  3.9027  8.6321  3.6930  3.093011       5.373021 
1 1 1 -15 14  31 o 14.647  2.9638  31.951    12.253    26.931    16.610    37.945    18.149    13.479  4.1728  15.815  4.2100  -2.336174      5.927564 
1 1 1 -15 14  32 o 12.701  2.5555  20.756    11.515    43.745    15.797    -5.3082   16.821    17.204  3.5460  8.1973  3.6809  9.006432       5.111087 
1 1 1 -15 14  33 o 31.305  2.3340  141.203   19.253    134.595   26.471    148.624   28.052    30.531  3.2890  32.079  3.3124  -1.548620      4.667922 
1 1 1 -15 14  34 o 9.3384  2.6775  4.4089    11.001    -5.6663   14.946    16.321    16.252    7.5697  3.4278  11.107  4.1143  -3.537495      5.355099 
1 1 1 -15 15  1  o 68.613  1.9969  631.747   36.697    632.225   51.647    631.260   52.153    68.640  2.8091  68.586  2.8389  0.5384827E-01  3.993828 
1 1 1 -15 15  2  o 195.016 3.8695  5131.59   202.113   5074.91   285.354   5188.64   286.311   193.929 5.4935  196.102 5.4509  -2.172302      7.738931 
1 1 1 -15 15  3  o 86.705  2.1868  1009.41   50.756    965.917   71.522    1053.54   72.041    84.819  3.1482  88.590  3.0360  -3.771477      4.373582 
1 1 1 -15 15  4  f 118.636 2.6724  1892.04   84.912    1861.90   120.014   1922.24   120.153   117.687 3.8073  119.586 3.7512  -1.898643      5.344769 
1 1 1 -15 15  5  o 92.566  2.3226  1150.97   57.578    1130.00   81.453    1171.92   81.401    91.721  3.3155  93.411  3.2534  -1.690773      4.645156 
1 1 1 -15 15  6  o 35.445  1.8671  169.527   17.587    177.308   24.993    161.895   24.752    36.260  2.5904  34.629  2.6897  1.630379       3.734236 
1 1 1 -15 15  7  o 123.328 2.7822  2046.52   91.902    2036.04   130.214   2056.92   129.725   123.011 3.9521  123.645 3.9170  -0.6343155     5.564341 
1 1 1 -15 15  8  o 64.358  4.2467  560.359   72.794    0.0000    0.0000    560.359   72.794    ?       ?       64.358  4.2467  ?              ?        
1 1 1 -15 15  9  o 83.554  2.6493  942.564   56.422    946.366   70.071    935.553   95.149    83.914  3.1176  83.195  4.2844  0.7189636      5.298643 
1 1 1 -15 15  10 o 63.944  1.9769  549.536   33.846    534.720   48.014    564.170   47.719    63.084  2.8416  64.804  2.7492  -1.720726      3.953804 
1 1 1 -15 15  11 o 50.274  1.9253  340.634   25.811    357.187   36.729    324.484   36.280    51.490  2.6723  49.058  2.7723  2.431900       3.850609 
1 1 1 -15 15  12 o 53.607  1.9593  387.454   28.035    385.553   39.836    389.320   39.460    53.474  2.7910  53.740  2.7506  -0.2665520     3.918599 
1 1 1 -15 15  13 o 41.643  1.8727  234.146   20.778    231.153   29.265    237.190   29.506    41.373  2.6549  41.914  2.6418  -0.5407677     3.745316 
1 1 1 -15 15  14 o 40.455  1.8607  221.171   20.052    219.527   28.365    222.813   28.350    40.303  2.6422  40.607  2.6205  -0.3046455     3.721344 
1 1 1 -15 15  15 f 38.822  1.8737  203.928   19.364    208.809   27.505    199.132   27.266    39.288  2.6289  38.356  2.6706  0.9315033      3.747468 
1 1 1 -15 15  16 o 96.238  2.3849  1254.11   61.464    1280.85   86.856    1227.30   86.991    97.277  3.3335  95.198  3.4116  2.079079       4.769812 
1 1 1 -15 15  17 o 46.823  1.9205  297.129   23.944    317.342   34.021    277.289   33.706    48.422  2.6330  45.223  2.7964  3.199585       3.840912 
1 1 1 -15 15  18 o 35.708  1.8918  173.235   17.962    173.738   25.413    172.734   25.392    35.760  2.6725  35.655  2.6783  0.1052551      3.783593 
1 1 1 -15 15  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 15  20 f 38.997  1.9316  207.168   19.995    189.607   28.136    225.088   28.421    37.293  2.8380  40.701  2.6210  -3.407772      3.863125 
1 1 1 -15 15  21 o 49.327  1.9781  331.373   26.014    340.414   36.585    322.128   36.997    50.026  2.7408  48.628  2.8530  1.397705       3.956224 
1 1 1 -15 15  22 o 28.566  2.0540  112.699   15.374    126.169   21.619    98.918    21.868    30.371  2.6853  26.761  3.1088  3.609644       4.107926 
1 1 1 -15 15  23 o 32.044  2.0128  141.006   17.031    126.519   23.795    156.223   24.387    30.309  2.9692  33.779  2.7184  -3.469645      4.025637 
1 1 1 -15 15  24 o 14.465  2.6339  30.213    10.448    37.461    14.603    22.612    14.954    16.190  3.4718  12.741  3.9619  3.448963       5.267860 
1 1 1 -15 15  25 o 7.0948  2.2447  -4.9659   8.7880    -2.9578   12.350    -7.0258   12.508    7.3317  3.2307  6.8579  3.1174  0.4737973      4.489495 
1 1 1 -15 15  26 o 31.071  2.1495  134.491   17.659    135.535   24.925    133.439   25.021    31.201  3.0203  30.942  3.0592  0.2594109      4.298933 
1 1 1 -15 15  27 o 34.740  2.1707  170.895   19.577    204.025   27.457    136.635   27.922    38.403  2.6863  31.077  3.4105  7.326227       4.341352 
1 1 1 -15 15  28 f 10.956  2.8710  10.562    11.620    0.6964    14.942    25.663    18.486    8.5169  3.6540  13.395  4.4293  -4.878042      5.741964 
1 1 1 -15 15  29 o 12.734  2.8521  22.590    11.201    14.778    15.243    31.759    16.514    10.898  3.9934  14.570  4.0732  -3.672407      5.704245 
1 1 1 -15 15  30 o 23.135  2.6115  79.182    15.434    91.135    21.456    66.366    22.217    25.211  3.2533  21.059  4.0861  4.151772       5.223016 
1 1 1 -15 15  31 o 32.209  2.2543  148.101   19.180    147.870   26.651    148.350   27.624    32.220  3.1276  32.199  3.2474  0.2105331E-01  4.508610 
1 1 1 -15 15  32 o 29.841  2.4846  131.162   19.099    153.380   26.738    108.015   27.291    32.748  3.0846  26.935  3.8960  5.813234       4.969211 
1 1 1 -15 15  33 o 16.335  3.0162  41.510    13.512    32.160    18.474    52.266    19.814    14.328  4.3950  18.342  4.1322  -4.013957      6.032498 
1 1 1 -15 16  1  o 223.175 4.3573  6739.54   260.445   6630.34   367.623   6849.58   369.030   221.346 6.2007  225.005 6.1232  -3.658768      8.714533 
1 1 1 -15 16  2  o 40.352  1.8430  219.423   19.769    201.391   27.695    238.156   28.228    38.646  2.6924  42.058  2.5174  -3.411526      3.685929 
1 1 1 -15 16  3  o 206.689 4.0875  5776.30   226.280   5701.12   319.669   5851.80   320.348   205.331 5.8124  208.048 5.7487  -2.717545      8.175073 
1 1 1 -15 16  4  o 133.552 2.8810  2400.57   103.056   2384.89   145.660   2416.28   145.827   133.113 4.0854  133.990 4.0633  -0.8768768     5.761963 
1 1 1 -15 16  5  o 74.892  2.1214  753.339   42.551    743.442   60.178    763.234   60.174    74.399  3.0198  75.386  2.9801  -0.9866791     4.242705 
1 1 1 -15 16  6  o 99.333  2.9282  1344.38   73.827    1280.32   124.860   1378.81   91.543    97.396  4.7862  101.270 3.3749  -3.873901      5.856401 
1 1 1 -15 16  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 16  8  o 52.630  1.9459  373.103   27.333    381.226   38.832    365.127   38.479    53.201  2.7343  52.059  2.7695  1.142513       3.891884 
1 1 1 -15 16  9  o 60.829  1.9729  497.975   32.082    462.740   45.392    533.143   45.349    58.668  2.8886  62.989  2.6879  -4.321308      3.945723 
1 1 1 -15 16  10 o 68.789  2.0531  636.460   37.820    654.639   53.737    618.616   53.238    69.766  2.8757  67.813  2.9310  1.952309       4.106170 
1 1 1 -15 16  11 o 82.459  2.2036  916.165   48.646    884.784   68.868    947.413   68.723    81.041  3.1727  83.877  3.0589  -2.836571      4.407116 
1 1 1 -15 16  12 o 79.081  2.1792  842.900   46.159    846.781   65.401    839.048   65.158    79.263  3.0805  78.900  3.0832  0.3631668      4.358437 
1 1 1 -15 16  13 o 102.705 2.5212  1426.72   69.345    1457.58   98.250    1396.08   97.890    103.821 3.5331  101.589 3.5975  2.231995       5.042317 
1 1 1 -15 16  14 o 40.865  1.8933  225.992   20.604    232.934   29.351    219.247   28.931    41.489  2.6551  40.240  2.6998  1.249725       3.786658 
1 1 1 -15 16  15 o 44.557  1.8850  268.809   22.387    261.036   31.593    276.648   31.726    43.901  2.6998  45.212  2.6312  -1.310638      3.769926 
1 1 1 -15 16  16 f 59.697  1.9987  481.804   31.959    481.402   45.211    482.207   45.184    59.672  2.8287  59.723  2.8246  -0.5065155E-01 3.997453 
1 1 1 -15 16  17 o 83.137  2.2328  938.130   49.706    963.113   70.262    913.100   70.328    84.261  3.1132  82.014  3.2015  2.246964       4.465570 
1 1 1 -15 16  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 16  19 o 17.902  2.4328  45.129    11.236    45.192    16.169    45.071    15.625    17.902  3.4976  17.902  3.3826  0.1506805E-03  4.865695 
1 1 1 -15 16  20 o 20.744  2.2738  60.042    12.208    56.670    17.297    63.388    17.233    20.124  3.3250  21.364  3.1023  -1.239609      4.547528 
1 1 1 -15 16  21 o 17.584  2.4644  43.905    11.190    47.563    15.732    40.158    15.921    18.380  3.3177  16.787  3.6451  1.592821       4.928876 
1 1 1 -15 16  22 o 39.843  1.9904  217.710   21.067    230.926   29.717    204.357   29.870    41.097  2.7149  38.590  2.9113  2.507000       3.980726 
1 1 1 -15 16  23 o 51.953  2.0360  370.541   28.207    380.216   39.657    360.634   40.128    52.666  2.8215  51.240  2.9361  1.426804       4.072037 
1 1 1 -15 16  24 o 45.063  2.0645  280.741   24.662    311.495   34.922    250.147   34.832    47.613  2.7501  42.512  3.0798  5.101009       4.128937 
1 1 1 -15 16  25 o 25.878  2.2978  94.404    15.508    85.460    21.860    103.467   22.005    24.561  3.4153  27.195  3.0750  -2.633730      4.595588 
1 1 1 -15 16  26 o 26.578  2.3202  100.155   16.003    85.102    22.348    115.994   22.925    24.392  3.5227  28.764  3.0206  -4.372211      4.640404 
1 1 1 -15 16  27 o 23.297  2.4727  78.240    14.841    67.163    20.732    89.882    21.255    21.459  3.7432  25.134  3.2321  -3.675419      4.945457 
1 1 1 -15 16  28 o 11.835  2.8811  18.941    11.048    15.978    14.882    22.577    16.489    11.083  3.9616  12.588  4.1842  -1.505075      5.762131 
1 1 1 -15 16  29 o 40.652  2.1648  233.494   23.370    219.374   32.714    248.210   33.397    39.343  3.1302  41.960  2.9911  -2.617279      4.329578 
1 1 1 -15 16  30 o 19.871  2.7613  58.922    14.153    57.078    19.414    61.013    20.677    19.563  3.8421  20.179  3.9670  -0.6157951     5.522567 
1 1 1 -15 16  31 o 27.124  2.5164  108.399   17.660    121.284   24.728    94.988    25.228    28.992  3.2397  25.255  3.8513  3.737545       5.032761 
1 1 1 -15 16  32 o 9.8556  2.8059  8.2971    11.627    14.876    16.496    1.8020    16.391    10.873  4.1203  8.8383  3.8099  2.034682       5.611832 
1 1 1 -15 17  1  o 98.615  2.3647  1306.88   62.458    1286.61   87.937    1327.52   88.726    97.842  3.3555  99.388  3.3329  -1.545830      4.729466 
1 1 1 -15 17  2  o 47.195  1.8563  299.944   23.369    305.429   32.962    294.402   33.136    47.633  2.5933  46.757  2.6568  0.8764534      3.712654 
1 1 1 -15 17  3  o 198.943 3.9875  5359.31   212.400   5183.42   299.914   5536.30   300.847   195.635 5.7235  202.251 5.5535  -6.615509      7.974933 
1 1 1 -15 17  4  o 55.103  4.1247  411.430   60.437    0.0000    0.0000    411.430   60.437    ?       ?       55.103  4.1247  ?              ?        
1 1 1 -15 17  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 17  6  o 59.910  1.9918  482.414   31.957    472.285   45.217    492.524   45.171    59.280  2.8478  60.541  2.7856  -1.261448      3.983671 
1 1 1 -15 17  7  o 105.355 2.4720  1495.26   69.755    1486.06   98.826    1504.40   98.471    105.029 3.5130  105.681 3.4787  -0.6522675     4.943945 
1 1 1 -15 17  8  o 88.145  2.3130  1046.46   54.607    1042.62   77.472    1050.25   76.983    87.982  3.2875  88.308  3.2547  -0.3263016     4.626040 
1 1 1 -15 17  9  o 132.321 2.9159  2368.49   103.344   2377.59   146.442   2359.46   145.859   132.574 4.1240  132.068 4.1233  0.5061340      5.831753 
1 1 1 -15 17  10 o 58.688  1.9779  463.658   31.072    485.716   44.231    442.167   43.659    60.071  2.7490  57.305  2.8445  2.766342       3.955733 
1 1 1 -15 17  11 o 137.244 3.0222  2557.80   111.096   2569.29   157.366   2546.39   156.862   137.552 4.2712  136.936 4.2767  0.6166687      6.044328 
1 1 1 -15 17  12 o 50.199  1.9142  340.620   25.642    341.163   36.431    340.086   36.098    50.237  2.7175  50.161  2.6967  0.7614136E-01  3.828436 
1 1 1 -15 17  13 o 75.475  2.1770  770.413   43.987    743.020   62.236    797.755   62.177    74.120  3.1348  76.829  3.0215  -2.708252      4.353913 
1 1 1 -15 17  14 o 26.757  1.9832  97.986    13.952    89.729    19.777    106.165   19.684    25.596  2.9380  27.919  2.6646  -2.322861      3.966376 
1 1 1 -15 17  15 o 24.322  2.1021  81.236    13.405    82.609    19.254    79.945    18.675    24.520  2.9938  24.124  2.9516  0.3956985      4.204159 
1 1 1 -15 17  16 o 74.940  2.1807  762.420   43.760    746.616   62.087    778.021   61.688    74.155  3.1259  75.726  3.0414  -1.571075      4.361323 
1 1 1 -15 17  17 o 36.756  2.8100  184.155   27.455    184.155   27.455    0.0000    0.0000    36.756  2.8100  ?       ?       ?              ?        
1 1 1 -15 17  18 o 16.674  2.5315  39.564    10.991    46.071    15.563    33.089    15.524    18.108  3.3316  15.241  3.8124  2.867225       5.063004 
1 1 1 -15 17  19 o 17.590  2.4898  44.038    11.312    35.858    15.948    52.320    16.049    15.843  3.8059  19.338  3.2111  -3.494583      4.979543 
1 1 1 -15 17  20 o 56.083  2.0505  429.751   30.696    433.915   43.365    425.571   43.456    56.363  2.8822  55.803  2.9175  0.5592918      4.101046 
1 1 1 -15 17  21 o 27.755  2.1504  106.752   15.603    121.980   22.348    92.268    21.794    29.768  2.8372  25.743  3.2321  4.025057       4.300717 
1 1 1 -15 17  22 o 49.332  2.0377  334.390   26.805    328.457   37.848    340.361   37.968    48.882  2.9038  49.782  2.8595  -0.8999138     4.075323 
1 1 1 -15 17  23 o 18.310  2.6631  48.903    12.640    37.247    17.891    60.521    17.861    15.956  4.1478  20.663  3.3413  -4.706954      5.326234 
1 1 1 -15 17  24 o 37.304  2.0782  193.366   20.580    201.131   29.052    185.544   29.158    38.091  2.8685  36.516  3.0080  1.575260       4.156498 
1 1 1 -15 17  25 o 18.924  3.7654  52.311    18.415    0.0000    0.0000    52.311    18.415    ?       ?       18.924  3.7654  ?              ?        
1 1 1 -15 17  26 o 44.760  2.1436  281.388   25.489    300.641   35.976    261.982   36.119    46.384  2.9105  43.135  3.1479  3.248322       4.287243 
1 1 1 -15 17  27 o 14.555  2.9129  31.773    11.954    27.126    16.965    36.355    16.847    13.552  4.2208  15.558  4.0156  -2.006057      5.825860 
1 1 1 -15 17  28 o 9.4066  2.4886  3.9008    10.210    21.461    14.120    -15.3437  14.782    12.167  3.8594  6.6460  3.1428  5.521160       4.977170 
1 1 1 -15 17  29 o 20.471  2.7789  62.788    14.645    75.170    21.048    51.168    20.390    22.643  3.5902  18.300  4.2426  4.343834       5.557768 
1 1 1 -15 17  30 o 18.232  2.9591  51.356    14.182    57.233    19.874    45.258    20.244    19.437  3.9521  17.028  4.4052  2.408867       5.918211 
1 1 1 -15 17  31 o 8.7418  2.6232  0.6194    11.258    -10.1096  16.081    10.933    15.767    7.4115  3.4295  10.072  3.9702  -2.660660      5.246370 
1 1 1 -15 18  1  o 183.790 3.6883  4571.47   181.564   4549.77   256.186   4593.37   257.359   183.351 5.2165  184.228 5.2155  -0.8769073     7.376535 
1 1 1 -15 18  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 18  3  o 58.594  4.2498  465.833   66.244    465.833   66.244    0.0000    0.0000    58.594  4.2498  ?       ?       ?              ?        
1 1 1 -15 18  4  o 75.888  2.1407  774.664   43.510    780.709   61.367    768.553   61.699    76.188  3.0072  75.588  3.0474  0.5998154      4.281331 
1 1 1 -15 18  5  o 39.157  1.9429  207.149   20.241    214.435   28.732    199.970   28.519    39.849  2.7080  38.465  2.7869  1.383453       3.885882 
1 1 1 -15 18  6  o 137.342 2.9959  2551.62   110.211   2547.45   155.972   2555.77   155.751   137.228 4.2434  137.456 4.2304  -0.2281494     5.991867 
1 1 1 -15 18  7  o 12.672  2.5153  22.209    9.1658    29.156    12.734    14.741    13.204    14.419  3.3595  10.925  3.7444  3.493835       5.030614 
1 1 1 -15 18  8  o 39.697  1.9159  212.989   20.237    222.904   28.929    203.488   28.320    40.610  2.6746  38.784  2.7439  1.826607       3.831728 
1 1 1 -15 18  9  o 59.942  2.0214  484.222   32.453    488.745   46.060    479.764   45.733    60.220  2.8556  59.663  2.8617  0.5566788      4.042764 
1 1 1 -15 18  10 o 62.013  2.0200  518.891   33.540    505.407   47.601    532.186   47.265    61.205  2.9036  62.821  2.8090  -1.615341      4.039975 
1 1 1 -15 18  11 o 52.497  1.9693  373.001   27.589    369.527   39.197    376.412   38.838    52.249  2.8112  52.745  2.7587  -0.4961777     3.938635 
1 1 1 -15 18  12 o 134.354 2.9804  2465.74   107.253   2456.99   151.920   2474.43   151.438   134.107 4.2294  134.600 4.2005  -0.4930420     5.960843 
1 1 1 -15 18  13 o 29.241  1.9935  116.582   15.412    120.547   22.214    112.901   21.402    29.723  2.8241  28.759  2.8144  0.9645844      3.987063 
1 1 1 -15 18  14 o 21.227  2.2332  62.374    12.299    66.202    17.719    58.814    17.086    21.878  3.1114  20.577  3.2044  1.300646       4.466401 
1 1 1 -15 18  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 18  16 o 27.301  2.0861  102.428   14.998    99.752    21.438    104.994   20.991    26.930  3.0243  27.671  2.8741  -0.7407703     4.172172 
1 1 1 -15 18  17 o 55.055  2.0308  412.685   29.865    395.723   42.280    429.576   42.192    53.867  2.9415  56.243  2.8007  -2.376034      4.061584 
1 1 1 -15 18  18 o 33.081  2.0440  150.452   17.800    130.379   24.996    171.107   25.355    30.770  3.0740  35.392  2.6949  -4.621801      4.088065 
1 1 1 -15 18  19 o 25.347  2.1873  89.375    14.438    78.603    20.386    100.216   20.451    23.731  3.2961  26.963  2.8761  -3.232185      4.374530 
1 1 1 -15 18  20 o 14.109  2.7536  28.520    10.761    30.657    15.350    26.455    15.090    14.595  3.8653  13.622  3.9228  0.9727983      5.507131 
1 1 1 -15 18  21 o 31.360  2.1307  136.895   17.512    117.356   24.706    156.625   24.826    29.003  3.2355  33.718  2.7735  -4.715376      4.261494 
1 1 1 -15 18  22 o 36.962  2.1147  189.604   20.722    177.044   29.188    202.370   29.425    35.680  3.0845  38.245  2.8939  -2.565025      4.229485 
1 1 1 -15 18  23 o 16.572  2.7652  40.332    12.076    41.306    17.165    39.377    16.993    16.776  3.8948  16.368  3.9264  0.4084129      5.530428 
1 1 1 -15 18  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 18  25 o 13.820  2.8648  28.078    11.441    34.313    16.381    22.139    15.987    15.157  3.9830  12.482  4.1187  2.674343       5.729508 
1 1 1 -15 18  26 o 37.803  2.1589  202.074   21.637    211.705   30.374    192.151   30.830    38.790  2.9454  36.815  3.1571  1.975410       4.317701 
1 1 1 -15 18  27 o 13.469  2.9554  25.946    12.284    37.583    17.841    15.458    16.937    15.727  4.1683  11.212  4.1908  4.514977       5.910786 
1 1 1 -15 18  28 o 7.6532  2.4234  -4.9264   10.310    -0.9224   14.635    -8.8717   14.528    8.1377  3.5531  7.1687  3.2964  0.9689846      4.846775 
1 1 1 -15 18  29 o 22.410  2.7915  76.190    15.929    56.912    22.190    96.687    22.880    19.094  4.4252  25.726  3.4041  -6.631832      5.582979 
1 1 1 -15 18  30 f 18.493  2.9343  53.720    14.652    77.537    21.221    32.018    20.256    22.753  3.6020  14.234  4.6331  8.518454       5.868604 
1 1 1 -15 19  1  o 137.646 2.9609  2559.66   109.161   2542.21   153.822   2577.38   154.939   137.174 4.1866  138.119 4.1881  -0.9450989     5.921803 
1 1 1 -15 19  2  o 73.242  2.0974  721.789   41.126    691.944   57.859    752.266   58.468    71.707  3.0124  74.778  2.9191  -3.071281      4.194779 
1 1 1 -15 19  3  o 98.021  2.4146  1295.25   63.394    1279.43   89.399    1311.25   89.907    97.417  3.4262  98.625  3.4034  -1.208420      4.829298 
1 1 1 -15 19  4  o 128.080 2.8401  2218.70   97.432    2203.90   137.583   2233.58   137.997   127.650 4.0240  128.511 4.0090  -0.8616409     5.680212 
1 1 1 -15 19  5  f 77.747  2.1933  814.827   45.662    792.905   64.516    836.831   64.637    76.693  3.1407  78.801  3.0624  -2.108414      4.386588 
1 1 1 -15 19  6  o 113.549 2.6367  1744.40   80.190    1733.98   113.420   1754.81   113.391   113.206 3.7405  113.891 3.7170  -0.6851807     5.273306 
1 1 1 -15 19  7  o 31.336  1.9615  133.433   16.250    145.012   23.148    122.182   22.818    32.704  2.6657  29.968  2.8780  2.735939       3.922925 
1 1 1 -15 19  8  o 37.132  1.9428  187.043   19.155    199.099   27.161    175.112   27.019    38.343  2.6611  35.920  2.8312  2.423302       3.885516 
1 1 1 -15 19  9  o 85.130  2.2796  980.846   51.977    981.326   73.744    980.373   73.272    85.148  3.2334  85.112  3.2141  0.3599548E-01  4.559103 
1 1 1 -15 19  10 o 68.590  2.1137  637.342   38.764    596.547   54.989    677.639   54.653    66.381  3.0928  70.799  2.8820  -4.418236      4.227450 
1 1 1 -15 19  11 o 71.559  2.1400  693.954   41.001    674.669   58.156    713.014   57.815    70.557  3.0773  72.562  2.9747  -2.005394      4.279998 
1 1 1 -15 19  12 o 75.609  2.1921  775.798   44.392    776.634   63.034    774.976   62.529    75.646  3.1110  75.572  3.0891  0.7376862E-01  4.384144 
1 1 1 -15 19  13 o 25.061  2.1366  86.526    13.893    101.993   20.031    72.187    19.287    27.303  2.7778  22.819  3.2471  4.483181       4.273131 
1 1 1 -15 19  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 19  15 o 11.840  2.3985  17.008    9.3548    0.8431    13.053    34.078    13.414    8.1621  3.4555  15.517  3.3272  -7.354946      4.796954 
1 1 1 -15 19  16 o 80.102  2.2919  876.648   49.172    873.709   69.649    879.570   69.430    79.963  3.2519  80.241  3.2305  -0.2782593     4.583769 
1 1 1 -15 19  17 o 37.279  2.0605  190.658   20.398    183.954   28.906    197.309   28.790    36.604  2.9740  37.954  2.8529  -1.349636      4.121099 
1 1 1 -15 19  18 f 29.249  2.0860  118.080   16.114    114.786   22.746    121.399   22.831    28.824  2.9897  29.674  2.9099  -0.8501606     4.172009 
1 1 1 -15 19  19 f 26.227  2.1773  95.676    15.003    95.829    21.321    95.526    21.115    26.244  3.0926  26.210  3.0656  0.3371429E-01  4.354507 
1 1 1 -15 19  20 o 23.111  2.4791  76.856    14.481    57.300    20.466    96.463    20.492    19.890  3.9805  26.333  2.9564  -6.443012      4.958298 
1 1 1 -15 19  21 o 54.296  2.1157  408.344   30.640    394.259   43.085    422.756   43.581    53.324  3.0291  55.268  2.9547  -1.944229      4.231466 
1 1 1 -15 19  22 o 23.450  2.4089  78.393    14.675    82.630    20.990    74.341    20.526    24.107  3.3404  22.793  3.4717  1.313751       4.817811 
1 1 1 -15 19  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 19  24 o 24.160  2.5375  85.673    15.490    64.004    21.807    107.740   22.006    20.726  4.0734  27.594  3.0271  -6.867496      5.075022 
1 1 1 -15 19  25 f 11.461  2.8771  17.534    11.082    17.055    15.606    18.020    15.741    11.358  4.0571  11.564  4.0806  -0.2064495     5.754210 
1 1 1 -15 19  26 o 14.902  2.9153  33.643    12.311    42.326    17.344    24.825    17.478    16.765  3.9307  13.039  4.3066  3.725188       5.830688 
1 1 1 -15 19  27 o 12.882  2.8621  23.453    11.823    10.773    16.636    36.393    16.806    10.309  4.0736  15.454  4.0215  -5.145407      5.724166 
1 1 1 -15 19  28 o 15.638  3.0696  38.055    13.478    46.059    19.368    30.541    18.767    17.210  4.2313  14.066  4.4480  3.143417       6.139105 
1 1 1 -15 19  29 o 17.448  3.0619  48.159    14.738    66.696    21.448    31.576    20.286    20.784  3.9979  14.112  4.6387  6.672800       6.123765 
1 1 1 -15 20  1  o 131.965 2.8916  2357.52   102.202   2320.78   143.886   2394.94   145.195   130.922 4.1031  133.007 4.0756  -2.085220      5.783254 
1 1 1 -15 20  2  o 18.353  2.3778  46.993    11.184    36.258    15.512    58.617    16.141    16.063  3.6839  20.644  3.0074  -4.581522      4.755547 
1 1 1 -15 20  3  o 98.788  2.4260  1318.42   64.185    1289.56   90.445    1347.71   91.102    97.692  3.4565  99.883  3.4052  -2.191200      4.852094 
1 1 1 -15 20  4  o 50.070  1.9493  339.072   26.020    352.365   36.643    325.553   36.954    51.075  2.6880  49.066  2.8238  2.009281       3.898624 
1 1 1 -15 20  5  o 90.853  2.3466  1116.21   57.105    1110.57   80.583    1121.90   80.934    90.622  3.3199  91.084  3.3174  -0.4617233     4.693286 
1 1 1 -15 20  6  f 68.811  2.0986  639.742   38.649    608.432   54.468    671.491   54.849    67.102  3.0305  70.519  2.9038  -3.417274      4.197184 
1 1 1 -15 20  7  o 29.540  2.0041  119.189   15.614    128.174   21.979    110.035   22.185    30.700  2.7003  28.381  2.9621  2.319893       4.008187 
1 1 1 -15 20  8  o 87.420  2.3188  1036.53   54.296    1033.34   76.889    1039.70   76.683    87.283  3.2889  87.557  3.2698  -0.2745056     4.637691 
1 1 1 -15 20  9  o 45.718  1.9806  283.811   24.116    299.154   34.322    268.849   33.893    46.956  2.7408  44.480  2.8600  2.476219       3.961254 
1 1 1 -15 20  10 o 42.275  1.9908  243.211   22.390    230.605   31.650    255.839   31.678    41.156  2.8895  43.394  2.7395  -2.238056      3.981683 
1 1 1 -15 20  11 o 68.331  2.1485  634.115   39.321    634.848   55.821    633.393   55.398    68.367  3.0483  68.295  3.0284  0.7217407E-01  4.296903 
1 1 1 -15 20  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 20  13 o 23.348  2.3026  76.178    13.892    67.449    19.935    84.418    19.369    21.951  3.5088  24.745  2.9825  -2.793467      4.605109 
1 1 1 -15 20  14 o 22.431  2.3609  70.299    13.660    80.480    19.568    60.624    19.076    24.107  3.1026  20.756  3.5595  3.351418       4.721841 
1 1 1 -15 20  15 f 53.205  2.0657  386.974   29.324    382.762   41.467    391.186   41.474    52.908  2.9376  53.501  2.9050  -0.5928078     4.131451 
1 1 1 -15 20  16 o 62.110  2.1241  527.465   35.327    543.556   50.153    511.620   49.770    63.065  2.9691  61.155  3.0384  1.909683       4.248210 
1 1 1 -15 20  17 o 42.285  2.0358  245.725   22.907    256.146   32.521    235.465   32.270    43.198  2.8262  41.372  2.9311  1.826153       4.071676 
1 1 1 -15 20  18 o 41.720  2.0782  240.087   23.072    244.154   32.851    236.129   32.412    42.072  2.9335  41.368  2.9444  0.7046127      4.156301 
1 1 1 -15 20  19 o 24.463  2.4567  85.064    15.489    98.463    22.088    72.101    21.726    26.503  3.1746  22.422  3.7501  4.081549       4.913375 
1 1 1 -15 20  20 o 60.846  2.1591  514.034   35.112    499.054   49.688    528.977   49.624    59.887  3.1083  61.805  2.9977  -1.918266      4.318276 
1 1 1 -15 20  21 o 18.044  2.7224  47.873    12.752    48.500    18.321    47.284    17.759    18.148  3.8863  17.940  3.8134  0.2078915      5.444716 
1 1 1 -15 20  22 o 15.053  4.3302  34.028    18.396    34.028    18.396    0.0000    0.0000    15.053  4.3302  ?       ?       ?              ?        
1 1 1 -15 20  23 o 46.234  2.1340  300.903   26.280    296.614   37.040    305.251   37.292    45.892  3.0304  46.576  3.0053  -0.6845398     4.267934 
1 1 1 -15 20  24 o 9.1361  2.6642  5.0486    10.608    2.0203    14.871    8.1864    15.137    8.6269  3.6717  9.6453  3.8615  -1.018380      5.328465 
1 1 1 -15 20  25 o 27.358  2.4039  108.266   17.217    112.481   24.255    103.986   24.443    27.957  3.3030  26.760  3.4935  1.196062       4.807712 
1 1 1 -15 20  26 o 14.071  3.0804  30.235    12.805    31.323    18.079    29.141    18.139    14.295  4.3404  13.848  4.3723  0.4475851      6.160855 
1 1 1 -15 20  27 o 8.9309  2.6303  2.9697    10.904    -6.1982   15.572    11.791    15.275    7.6912  3.4893  10.171  3.9368  -2.479499      5.260536 
1 1 1 -15 20  28 o 7.5411  2.4263  -5.9656   10.679    -7.8735   16.323    -4.5378   14.120    7.6534  3.5100  7.4289  3.3508  0.2244945      4.852669 
1 1 1 -15 21  1  o 81.847  2.2016  904.796   48.258    911.950   67.882    897.487   68.618    82.181  3.0839  81.514  3.1428  0.6671753      4.403142 
1 1 1 -15 21  2  o 111.627 2.6118  1689.74   78.081    1655.90   109.928   1724.19   110.925   110.492 3.7144  112.763 3.6726  -2.271278      5.223506 
1 1 1 -15 21  3  o 73.980  2.1317  739.687   42.187    691.779   59.213    789.075   60.121    71.530  3.0906  76.430  2.9368  -4.899879      4.263364 
1 1 1 -15 21  4  o 87.411  2.2972  1035.06   53.747    985.486   75.655    1085.58   76.369    85.278  3.3122  89.543  3.1841  -4.265709      4.594464 
1 1 1 -15 21  5  o 89.435  2.3461  1084.97   56.199    1070.77   79.189    1099.37   79.768    88.843  3.3278  90.028  3.3080  -1.185265      4.692218 
1 1 1 -15 21  6  o 60.807  2.0547  500.530   33.461    505.676   47.171    495.317   47.473    61.127  2.8811  60.486  2.9302  0.6402321      4.109354 
1 1 1 -15 21  7  o 33.946  1.9976  157.173   17.964    146.280   25.319    168.216   25.493    32.733  2.9184  35.159  2.7284  -2.425793      3.995148 
1 1 1 -15 21  8  o 15.355  2.4773  33.936    10.381    17.900    14.720    49.802    14.643    11.771  3.9540  18.939  2.9854  -7.168176      4.954523 
1 1 1 -15 21  9  f 19.964  2.3819  55.757    12.279    57.655    17.361    53.856    17.370    20.327  3.3020  19.601  3.4338  0.7267380      4.763787 
1 1 1 -15 21  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 21  11 o 24.725  2.2033  84.512    14.233    77.788    19.908    91.542    20.355    23.677  3.2229  25.772  3.0052  -2.094707      4.406653 
1 1 1 -15 21  12 o 17.275  2.5790  42.880    11.648    57.013    16.602    29.181    16.346    20.209  3.1715  14.340  4.0677  5.869182       5.157957 
1 1 1 -15 21  13 o 34.787  2.0900  166.088   19.286    169.258   27.592    163.059   26.967    35.112  2.9615  34.462  2.9499  0.6500664      4.180011 
1 1 1 -15 21  14 o 37.187  2.1252  191.328   20.726    224.612   29.428    158.569   29.195    40.520  2.7273  33.853  3.2601  6.667500       4.250441 
1 1 1 -15 21  15 o 39.624  2.0738  216.396   21.789    198.930   30.871    233.732   30.756    37.973  3.0612  41.275  2.7986  -3.301579      4.147669 
1 1 1 -15 21  16 o 25.419  2.3356  90.730    15.372    105.227   22.036    76.990    21.454    27.514  3.0409  23.324  3.5458  4.189777       4.671148 
1 1 1 -15 21  17 o 18.575  2.7022  49.982    12.993    48.675    18.569    51.235    18.185    18.305  3.9064  18.845  3.7347  -0.5400753     5.404467 
1 1 1 -15 21  18 o 7.9584  2.4302  -1.1335   9.5760    -5.3061   13.564    3.0123    13.521    7.3785  3.3099  8.5382  3.5593  -1.159679      4.860456 
1 1 1 -15 21  19 o 57.967  2.1878  468.823   33.843    477.649   48.006    460.102   47.718    58.527  3.0731  57.408  3.1150  1.118866       4.375687 
1 1 1 -15 21  20 o 34.620  3.1416  168.988   28.815    0.0000    0.0000    168.988   28.815    ?       ?       34.620  3.1416  ?              ?        
1 1 1 -15 21  21 o 8.4480  2.5464  0.9444    10.258    5.2999    14.531    -3.3835   14.485    9.0718  3.7270  7.8242  3.4706  1.247622       5.092752 
1 1 1 -15 21  22 o 43.096  2.2033  263.063   25.230    248.887   35.630    277.319   35.733    41.861  3.2020  44.331  3.0274  -2.469517      4.406600 
1 1 1 -15 21  23 o 13.784  2.8519  26.587    12.362    45.054    17.947    9.9169    17.052    17.288  3.9607  10.280  4.1045  7.008381       5.703896 
1 1 1 -15 21  24 o 26.887  2.5165  105.582   17.620    96.846    24.782    114.513   25.058    25.650  3.7152  28.123  3.3954  -2.472666      5.033015 
1 1 1 -15 21  25 o 18.613  2.9654  54.148    14.738    72.385    20.875    36.022    20.811    22.072  3.6593  15.155  4.6674  6.916441       5.930869 
1 1 1 -15 21  26 o 15.559  2.7692  36.678    13.493    8.6476    19.036    64.985    19.130    10.273  4.2479  20.845  3.5537  -10.57165      5.538393 
1 1 1 -15 22  1  o 24.627  2.0969  83.706    13.439    92.913    18.772    74.025    19.248    26.089  2.7266  23.166  3.1865  2.923630       4.193814 
1 1 1 -15 22  2  o 81.316  2.2279  896.256   48.522    881.412   68.267    911.411   68.979    80.633  3.1609  82.000  3.1406  -1.367035      4.455874 
1 1 1 -15 22  3  o 27.148  2.0404  100.928   14.597    103.187   20.412    98.563    20.882    27.477  2.8131  26.819  2.9561  0.6577950      4.080719 
1 1 1 -15 22  4  o 106.435 2.5651  1545.45   73.039    1450.99   102.785   1641.81   103.807   103.098 3.7221  109.772 3.5306  -6.674103      5.130240 
1 1 1 -15 22  5  o 55.650  2.0346  420.822   30.230    441.770   42.611    399.597   42.892    57.106  2.7858  54.193  2.9662  2.912865       4.069279 
1 1 1 -15 22  6  o 46.719  1.9831  296.836   24.691    285.082   34.576    309.066   35.270    45.765  2.8347  47.674  2.7741  -1.908890      3.966229 
1 1 1 -15 22  7  o 8.0039  2.1245  -1.9433   7.6601    -17.0630  10.396    16.018    11.331    5.1021  2.4705  10.906  3.4570  -5.803654      4.248996 
1 1 1 -15 22  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 22  9  f 54.362  2.3851  398.000   33.519    376.027   42.048    436.306   55.516    52.470  3.0043  56.254  3.7052  -3.784405      4.770198 
1 1 1 -15 22  10 o 58.201  2.1199  462.488   32.969    447.751   46.710    477.119   46.540    57.217  3.0590  59.185  2.9358  -1.968113      4.239838 
1 1 1 -15 22  11 o 23.954  2.4571  81.828    14.790    58.688    20.871    105.171   20.963    20.269  3.9864  27.639  2.8736  -7.370432      4.914179 
1 1 1 -15 22  12 o 10.286  2.6945  11.690    9.8597    11.022    13.812    12.385    14.079    10.124  3.7845  10.447  3.8365  -0.3225803     5.388941 
1 1 1 -15 22  13 o 19.285  2.5724  53.331    12.732    40.678    17.774    66.664    18.246    16.764  4.0119  21.807  3.2207  -5.042255      5.144718 
1 1 1 -15 22  14 o 32.311  2.1559  144.684   18.436    145.411   26.235    143.976   25.914    32.388  3.0604  32.234  3.0372  0.1534920      4.311751 
1 1 1 -15 22  15 o 17.726  2.7069  45.574    12.474    45.281    17.840    45.855    17.448    17.655  3.8785  17.798  3.7770  -0.1428261     5.413710 
1 1 1 -15 22  16 o 31.230  2.2393  136.498   18.472    137.702   26.194    135.306   26.054    31.371  3.1603  31.089  3.1733  0.2820568      4.478555 
1 1 1 -15 22  17 o 25.012  2.4683  89.794    15.863    74.493    22.383    105.232   22.483    22.676  3.8212  27.347  3.1255  -4.671499      4.936637 
1 1 1 -15 22  18 o 39.690  2.2274  222.671   23.250    190.079   32.912    255.136   32.848    36.608  3.3952  42.771  2.8841  -6.163189      4.454783 
1 1 1 -15 22  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 22  20 o 29.162  2.3709  121.846   18.171    127.117   26.168    116.938   25.252    29.786  3.3374  28.539  3.3684  1.247032       4.741757 
1 1 1 -15 22  21 o 34.921  2.2834  174.133   21.105    168.745   29.866    179.507   29.828    34.339  3.2873  35.503  3.1700  -1.164223      4.566754 
1 1 1 -15 22  22 o 12.198  2.9835  20.684    12.121    14.302    17.554    26.501    16.758    11.065  4.2366  13.332  4.2019  -2.266784      5.966973 
1 1 1 -15 22  23 o 28.305  2.5528  117.623   18.873    111.493   26.872    123.591   26.512    27.475  3.7494  29.136  3.4653  -1.661053      5.105505 
1 1 1 -15 22  24 o 44.064  2.2832  280.209   26.759    280.855   37.734    279.556   37.953    44.129  3.2146  43.998  3.2434  0.1306610      4.566491 
1 1 1 -15 22  25 o 15.637  3.0194  38.158    14.111    58.554    20.274    18.993    19.653    19.415  4.0307  11.860  4.4967  7.554749       6.038735 
1 1 1 -15 23  1  o 21.392  2.2392  63.486    12.439    65.293    17.635    61.696    17.548    21.711  3.1224  21.073  3.2103  0.6377659      4.478341 
1 1 1 -15 23  2  o 53.847  1.9891  394.168   28.584    397.195   40.217    391.077   40.635    54.063  2.7868  53.630  2.8389  0.4336205      3.978133 
1 1 1 -15 23  3  o 24.113  2.1358  80.404    13.431    72.965    19.034    87.782    18.956    22.945  3.1829  25.281  2.8490  -2.336447      4.271665 
1 1 1 -15 23  4  f 18.443  2.4255  47.877    11.540    47.963    16.231    47.790    16.411    18.465  3.4071  18.420  3.4531  0.4493332E-01  4.851041 
1 1 1 -15 23  5  o 14.380  2.6686  29.593    10.471    33.537    14.386    25.150    15.270    15.355  3.5662  13.406  3.9708  1.948885       5.337142 
1 1 1 -15 23  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 23  7  o 60.201  2.1015  494.317   33.824    482.218   47.634    506.622   48.037    59.411  3.0031  60.991  2.9405  -1.579803      4.202987 
1 1 1 -15 23  8  o 5.3616  1.8042  -13.4586  7.0454    -17.3562  9.4314    -8.5374   10.598    4.6964  2.2919  6.0268  2.7871  -1.330420      3.608450 
1 1 1 -15 23  9  o 34.841  2.1144  166.957   19.539    166.258   27.744    167.645   27.523    34.762  3.0094  34.920  2.9709  -0.1574440     4.228806 
1 1 1 -15 23  10 o 14.447  2.6910  29.548    11.129    43.107    15.883    16.467    15.600    17.388  3.5308  11.507  4.0620  5.880856       5.382066 
1 1 1 -15 23  11 o 32.565  2.1856  147.736   18.596    172.145   26.323    123.417   26.275    35.384  2.8003  29.746  3.3565  5.637875       4.371264 
1 1 1 -15 23  12 o 27.169  2.2770  103.166   16.234    99.262    23.004    107.039   22.912    26.624  3.2963  27.714  3.1421  -1.089619      4.553903 
1 1 1 -15 23  13 o 15.482  2.7172  34.399    12.115    15.425    16.896    54.476    17.380    11.423  4.2016  19.541  3.4466  -8.118071      5.434344 
1 1 1 -15 23  14 o 28.321  2.3415  112.936   17.424    112.321   24.771    113.538   24.515    28.232  3.3406  28.410  3.2819  -0.1783314     4.683002 
1 1 1 -15 23  15 o 36.100  2.2370  182.745   21.398    178.954   30.557    186.394   29.974    35.696  3.2310  36.504  3.0947  -0.8085403     4.473984 
1 1 1 -15 23  16 o 22.566  2.5774  73.870    15.001    68.124    21.420    79.400    21.014    21.595  3.8441  23.537  3.4345  -1.941723      5.154887 
1 1 1 -15 23  17 o 60.924  3.2195  523.489   52.350    0.0000    0.0000    523.489   52.350    ?       ?       60.924  3.2195  ?              ?        
1 1 1 -15 23  18 o 38.336  2.2664  208.732   23.051    202.917   32.563    214.573   32.636    37.767  3.2506  38.905  3.1591  -1.137989      4.532856 
1 1 1 -15 23  19 o 15.185  2.6421  30.942    13.313    66.468    19.287    -1.3874   18.399    21.337  3.4957  9.0319  3.9626  12.30550       5.284196 
1 1 1 -15 23  20 o 14.856  2.8081  31.632    12.951    55.681    18.710    9.5086    17.945    19.349  3.7456  10.364  4.1849  8.985108       5.616251 
1 1 1 -15 23  21 o 16.572  3.0489  42.511    14.078    29.465    19.876    55.646    19.944    13.972  4.5915  19.171  4.0127  -5.199460      6.097814 
1 1 1 -15 23  22 o 7.1101  2.3204  -10.8551  10.464    -3.4214   15.029    -17.8494  14.578    7.8862  3.5146  6.3341  3.0306  1.552146       4.640782 
1 1 1 -15 23  23 o 33.117  2.4631  161.669   21.417    145.403   30.093    178.367   30.489    31.259  3.6637  34.975  3.2933  -3.716700      4.926291 
1 1 1 -15 23  24 o 31.388  2.5638  148.679   20.978    130.929   29.680    166.399   29.655    29.246  3.8849  33.530  3.3467  -4.283537      5.127690 
1 1 1 -15 24  1  o 51.842  1.9640  365.962   27.169    364.694   38.104    367.273   38.750    51.756  2.7586  51.927  2.7963  -0.1714897     3.928029 
1 1 1 -15 24  2  o 80.318  2.2409  879.993   48.197    853.642   67.654    907.148   68.680    79.086  3.1938  81.550  3.1443  -2.464394      4.481802 
1 1 1 -15 24  3  f 21.605  5.1102  68.104    29.108    0.0000    0.0000    68.104    29.108    ?       ?       21.605  5.1102  ?              ?        
1 1 1 -15 24  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 24  5  o 22.664  2.3538  71.745    13.859    73.150    19.891    70.420    19.321    22.879  3.3446  22.448  3.3129  0.4307747      4.707639 
1 1 1 -15 24  6  o 49.961  2.0539  341.671   27.365    344.375   38.696    338.966   38.705    50.164  2.8922  49.758  2.9169  0.4056778      4.107704 
1 1 1 -15 24  7  o 15.079  2.6604  32.373    11.294    48.063    16.185    17.481    15.768    18.420  3.4058  11.738  4.0880  6.682228       5.320846 
1 1 1 -15 24  8  o 16.960  2.7028  41.441    11.986    40.050    16.954    42.830    16.947    16.661  3.8727  17.259  3.7713  -0.5984249     5.405611 
1 1 1 -15 24  9  o 37.456  2.1063  193.539   20.945    184.772   29.306    202.691   29.944    36.569  3.0190  38.342  2.9381  -1.773220      4.212645 
1 1 1 -15 24  10 o 35.859  2.1396  178.278   20.283    196.284   28.906    160.811   28.470    37.710  2.8837  34.008  3.1617  3.701851       4.279218 
1 1 1 -15 24  11 o 22.944  2.4622  74.807    14.603    67.135    20.445    82.797    20.865    21.656  3.6548  24.233  3.3004  -2.576433      4.924479 
1 1 1 -15 24  12 o 32.367  2.2612  146.872   19.325    140.114   27.382    153.578   27.279    31.580  3.2852  33.155  3.1080  -1.574938      4.522459 
1 1 1 -15 24  13 o 60.182  2.2679  506.353   36.426    509.200   51.584    503.522   51.445    60.355  3.2023  60.009  3.2123  0.3459129      4.535842 
1 1 1 -15 24  14 o 28.457  2.4070  115.492   17.955    110.591   25.592    120.242   25.197    27.800  3.5155  29.114  3.2887  -1.314491      4.814012 
1 1 1 -15 24  15 o 34.647  2.2810  170.447   20.876    160.665   29.767    179.915   29.285    33.583  3.3540  35.710  3.0923  -2.126686      4.561959 
1 1 1 -15 24  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 24  17 o 23.070  2.7390  79.093    16.184    93.390    23.103    65.316    22.679    25.364  3.4934  20.775  4.2195  4.588570       5.477972 
1 1 1 -15 24  18 o 38.853  2.2961  215.947   23.670    211.941   33.587    219.899   33.362    38.459  3.2922  39.247  3.2015  -0.7883377     4.592212 
1 1 1 -15 24  19 o 22.673  2.7844  76.876    16.282    82.103    23.238    71.835    22.820    23.513  3.8210  21.834  4.0511  1.678555       5.568763 
1 1 1 -15 24  20 o 14.307  2.8390  28.447    13.415    3.7041    18.736    54.471    19.215    9.6496  4.1145  18.964  3.9128  -9.313917      5.677928 
1 1 1 -15 24  21 o 21.359  2.9745  71.022    16.375    53.085    22.907    89.768    23.418    18.191  4.6758  24.527  3.6780  -6.336796      5.949014 
1 1 1 -15 24  22 o 23.464  2.9866  87.128    17.759    116.506   25.451    59.252    24.791    27.996  3.4683  18.932  4.8632  9.063351       5.973236 
1 1 1 -15 25  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 25  2  o 72.079  2.1698  710.298   41.881    689.819   58.831    731.340   59.634    71.014  3.0929  73.144  3.0439  -2.130096      4.339516 
1 1 1 -15 25  3  o 11.549  2.6835  16.605    10.285    26.676    14.400    6.1156    14.696    13.675  3.7966  9.4234  3.7934  4.251760       5.366963 
1 1 1 -15 25  4  o 51.052  2.0508  357.235   27.921    346.675   39.186    368.125   39.794    50.275  2.9226  51.830  2.8778  -1.555115      4.101574 
1 1 1 -15 25  5  o 29.059  2.1745  116.994   16.629    107.677   23.221    126.803   23.826    27.828  3.1719  30.289  2.9752  -2.460533      4.348909 
1 1 1 -15 25  6  o 14.553  2.8802  30.500    11.734    26.318    16.529    34.749    16.660    13.625  4.1531  15.482  3.9919  -1.856393      5.760460 
1 1 1 -15 25  7  o 12.960  2.7140  23.091    10.778    34.811    15.223    11.309    15.263    15.510  3.7135  10.410  3.9590  5.099954       5.428037 
1 1 1 -15 25  8  o 35.770  2.1366  177.552   20.274    173.629   28.677    181.473   28.667    35.357  3.0582  36.182  2.9846  -0.8251724     4.273222 
1 1 1 -15 25  9  o 48.202  2.1443  322.408   27.524    335.981   38.972    308.900   38.878    49.253  2.9681  47.151  3.0956  2.101791       4.288622 
1 1 1 -15 25  10 f 18.709  2.8520  51.434    13.871    52.217    19.641    50.654    19.593    18.862  4.0112  18.556  4.0554  0.3058949      5.704035 
1 1 1 -15 25  11 o 28.478  2.3723  115.033   17.744    114.522   25.286    115.529   24.907    28.398  3.3914  28.558  3.3180  -0.1600132     4.744563 
1 1 1 -15 25  12 o 51.656  2.2240  374.732   30.607    359.194   43.119    390.510   43.453    50.530  3.2025  52.783  3.0870  -2.252548      4.448084 
1 1 1 -15 25  13 o 13.689  3.0303  27.238    12.493    21.230    17.242    33.880    18.128    12.380  4.2769  14.998  4.2940  -2.617748      6.060568 
1 1 1 -15 25  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 25  15 o 32.302  2.3871  150.283   20.146    173.828   28.865    127.921   28.131    34.956  3.1156  29.649  3.6173  5.306641       4.774120 
1 1 1 -15 25  16 o 31.242  2.4478  141.988   19.964    125.249   28.438    158.257   28.035    29.225  3.7169  33.258  3.1860  -4.033058      4.895546 
1 1 1 -15 25  17 o 30.260  2.5283  133.942   19.872    154.547   28.334    113.994   27.878    32.777  3.2710  27.742  3.8560  5.035049       5.056550 
1 1 1 -15 25  18 o 7.9474  2.5015  -6.7144   11.229    -17.8590  15.803    4.6488    15.958    6.6993  3.1915  9.1955  3.8528  -2.496186      5.002966 
1 1 1 -15 25  19 o 11.871  2.9544  17.653    12.717    3.4759    17.957    31.917    18.012    9.4178  4.0222  14.323  4.3286  -4.905666      5.908848 
1 1 1 -15 25  20 o 30.929  2.5468  142.674   20.652    133.727   29.265    151.548   29.147    29.830  3.7453  32.028  3.4522  -2.197412      5.093602 
1 1 1 -15 25  21 o 27.527  2.8960  119.306   19.994    86.841    28.035    152.909   28.522    23.005  4.7084  32.049  3.3732  -9.044159      5.792029 
1 1 1 -15 26  1  o 22.477  2.3710  71.316    13.767    77.831    19.277    64.533    19.669    23.617  3.1241  21.338  3.5674  2.279259       4.741991 
1 1 1 -15 26  2  o 29.976  2.1444  124.587   16.972    127.845   23.905    121.275   24.100    30.394  2.9745  29.559  3.0897  0.8357105      4.288754 
1 1 1 -15 26  3  o 13.876  2.8460  27.594    11.241    24.405    15.870    30.806    15.925    13.161  4.0797  14.591  3.9694  -1.430591      5.692088 
1 1 1 -15 26  4  o 29.286  2.2135  119.534   17.035    108.279   23.815    131.327   24.377    27.813  3.2585  30.759  2.9969  -2.945898      4.427099 
1 1 1 -15 26  5  o 15.379  2.8034  34.645    11.801    42.405    16.554    26.626    16.828    17.108  3.7187  13.650  4.1960  3.458019       5.606703 
1 1 1 -15 26  6  o 12.580  2.6525  19.816    10.988    38.124    15.881    3.0017    15.219    16.179  3.7395  8.9812  3.7628  7.198059       5.304937 
1 1 1 -15 26  7  o 16.535  2.9119  40.552    13.015    31.624    18.495    49.311    18.318    14.690  4.3744  18.380  3.8446  -3.689619      5.823744 
1 1 1 -15 26  8  o 57.705  2.2155  464.973   34.115    462.259   48.221    467.692   48.270    57.530  3.1412  57.880  3.1252  -0.3499603     4.431020 
1 1 1 -15 26  9  o 22.765  2.6633  76.325    15.346    96.505    21.772    56.403    21.633    26.102  3.1799  19.429  4.2731  6.672852       5.326506 
1 1 1 -15 26  10 o 35.791  2.2353  180.895   21.155    165.736   29.558    196.815   30.291    34.181  3.2683  37.401  3.0503  -3.220119      4.470566 
1 1 1 -15 26  11 f 11.727  2.4587  13.024    11.264    40.019    15.598    -16.3944  16.283    16.446  3.6374  7.0072  3.3090  9.438876       4.917371 
1 1 1 -15 26  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 26  13 o 8.2857  2.4951  -2.6275   10.652    10.190    14.580    -17.3008  15.600    9.8619  3.8382  6.7096  3.1891  3.152253       4.990228 
1 1 1 -15 26  14 o 29.095  2.5724  124.325   19.420    107.878   27.441    140.826   27.486    26.947  3.9165  31.242  3.3361  -4.294840      5.144781 
1 1 1 -15 26  15 o 29.544  2.5118  127.615   19.431    119.419   27.509    135.776   27.449    28.491  3.6915  30.597  3.4072  -2.105642      5.023558 
1 1 1 -15 26  16 o 25.833  2.7416  99.578    18.375    103.307   26.465    96.107    25.532    26.310  3.8712  25.355  3.8832  0.9549828      5.483224 
1 1 1 -15 26  17 f 23.147  2.9115  82.402    17.297    72.048    24.759    92.273    24.174    21.450  4.4552  24.845  3.7494  -3.394899      5.822959 
1 1 1 -15 26  18 o 14.717  3.2624  34.574    14.310    36.418    20.564    32.841    19.926    15.054  4.6402  14.380  4.5872  0.6746054      6.524858 
1 1 1 -15 26  19 o 8.7798  2.6979  0.8916    11.939    5.9736    16.908    -4.1616   16.860    9.4111  3.9557  8.1486  3.6698  1.262539       5.395772 
1 1 1 -15 27  1  o 10.013  2.4135  7.2683    10.018    25.499    13.252    -17.0422  15.304    13.290  3.6233  6.7362  3.1891  6.553911       4.826905 
1 1 1 -15 27  2  o 46.916  2.0537  304.610   25.670    311.690   36.117    297.382   36.491    47.496  2.8522  46.337  2.9555  1.159081       4.107352 
1 1 1 -15 27  3  o 17.101  2.8060  42.723    12.613    37.941    17.310    48.135    18.415    16.056  4.0309  18.146  3.9046  -2.089640      5.611998 
1 1 1 -15 27  4  o 35.485  2.1805  176.275   20.468    163.381   28.952    189.158   28.939    34.118  3.2057  36.853  2.9567  -2.734287      4.361004 
1 1 1 -15 27  5  o 25.768  2.3400  94.315    15.751    88.764    22.242    99.899    22.309    24.950  3.4181  26.587  3.1967  -1.637764      4.679996 
1 1 1 -15 27  6  o 22.744  2.5846  74.647    15.068    60.999    20.697    90.043    21.982    20.365  3.9367  25.124  3.3500  -4.758688      5.169164 
1 1 1 -15 27  7  o 16.231  2.9057  40.187    13.301    55.600    18.383    23.253    19.268    19.499  3.6541  12.964  4.5189  6.535284       5.811422 
1 1 1 -15 27  8  o 16.241  2.9056  39.222    13.063    25.575    17.917    54.707    19.085    13.269  4.3593  19.214  3.8428  -5.944320      5.811196 
1 1 1 -15 27  9  o 18.733  2.8895  53.219    14.196    66.855    20.241    40.017    19.916    21.325  3.6765  16.142  4.4588  5.182720       5.779072 
1 1 1 -15 27  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 27  11 o 7.4629  2.3960  -7.1704   10.515    -2.7073   14.577    -12.0115  15.182    7.8840  3.4902  7.0419  3.2835  0.8421574      4.791949 
1 1 1 -15 27  12 o 18.310  3.0593  51.813    14.804    45.811    20.693    58.106    21.187    17.133  4.4642  19.487  4.1842  -2.353407      6.118536 
1 1 1 -15 27  13 o 8.6467  2.6431  0.5567    11.257    3.5082    16.073    -2.2852   15.771    9.0622  3.8354  8.2312  3.6378  0.8310289      5.286156 
1 1 1 -15 27  14 o 24.721  2.8334  93.075    17.725    69.704    24.878    117.170   25.261    21.097  4.5373  28.344  3.3948  -7.247250      5.666752 
1 1 1 -15 27  15 o 26.811  2.6965  107.733   18.767    98.982    26.294    116.821   26.795    25.574  3.9672  28.049  3.6533  -2.475023      5.393054 
1 1 1 -15 27  16 o 23.870  2.9419  88.741    18.010    78.080    25.903    98.717    25.057    22.166  4.5163  25.574  3.7711  -3.408331      5.883740 
1 1 1 -15 27  17 o 23.410  3.0243  86.712    18.257    83.028    25.830    90.390    25.809    22.811  4.3870  24.009  4.1643  -1.198265      6.048673 
1 1 1 -15 28  1  o 18.702  2.7739  51.535    13.443    53.380    18.665    49.546    19.376    19.111  3.7803  18.293  4.0605  0.8177471      5.547836 
1 1 1 -15 28  2  o 14.691  2.7958  30.752    12.126    48.862    17.663    14.609    16.677    18.257  3.7380  11.126  4.1585  7.130827       5.591566 
1 1 1 -15 28  3  o 12.459  2.9323  21.173    11.706    14.269    16.177    28.762    16.961    10.966  4.0964  13.952  4.1969  -2.985442      5.864683 
1 1 1 -15 28  4  o 13.415  2.9623  26.428    11.804    26.602    16.362    26.240    17.046    13.443  4.1383  13.388  4.2398  0.5513573E-01  5.924652 
1 1 1 -15 28  5  o 16.670  3.0011  42.425    13.542    48.790    18.848    35.634    19.470    18.037  4.0056  15.304  4.4701  2.732845       6.002181 
1 1 1 -15 28  6  o 26.827  2.4362  104.085   17.101    104.778   24.273    103.402   24.097    26.916  3.4458  26.737  3.4448  0.1789951      4.872446 
1 1 1 -15 28  7  o 16.781  3.0139  43.183    13.576    45.664    19.497    40.849    18.914    17.256  4.2470  16.306  4.2775  0.9504490      6.027764 
1 1 1 -15 28  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 28  9  o 26.710  2.6108  105.317   18.063    118.487   25.823    92.700    25.274    28.519  3.4507  24.902  3.9189  3.617678       5.221586 
1 1 1 -15 28  10 o 11.497  2.9996  17.270    12.231    20.043    17.514    14.630    17.087    12.009  4.2971  10.986  4.1863  1.022264       5.999166 
1 1 1 -15 28  11 o 10.742  2.6097  6.4404    11.773    33.440    16.779    -19.7390  16.522    14.735  4.1009  6.7497  3.2286  7.985653       5.219314 
1 1 1 -15 28  12 o 29.761  2.6287  131.787   20.244    152.628   28.832    111.522   28.431    32.360  3.3761  27.162  4.0301  5.198214       5.257384 
1 1 1 -15 28  13 o 45.537  2.3971  303.158   28.949    323.128   40.733    282.775   41.152    47.222  3.2400  43.852  3.5335  3.369186       4.794120 
1 1 1 -15 28  14 o 20.552  3.1152  67.106    16.651    59.548    23.297    74.998    23.807    19.199  4.5922  21.905  4.2106  -2.706743      6.230339 
1 1 1 -15 28  15 o 10.697  3.0679  11.781    13.787    7.1860    19.097    16.784    19.926    9.9592  4.1959  11.435  4.4769  -1.476083      6.135824 
1 1 1 -15 29  1  o 23.707  2.5876  82.200    15.869    84.206    21.954    80.004    22.964    24.094  3.5045  23.319  3.8081  0.7751999      5.175188 
1 1 1 -15 29  2  o 22.927  2.6845  77.967    15.821    85.971    22.110    69.568    22.649    24.319  3.4948  21.536  4.0758  2.783415       5.368920 
1 1 1 -15 29  3  o 22.303  2.6907  74.272    15.393    64.763    22.079    83.265    21.470    20.692  4.1284  23.915  3.4518  -3.222752      5.381333 
1 1 1 -15 29  4  o 25.129  2.5702  92.830    16.746    101.319   23.918    84.668    23.452    26.368  3.4709  23.890  3.7917  2.477797       5.140398 
1 1 1 -15 29  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 29  6  f 22.448  3.8598  75.579    22.371    75.579    22.371    0.0000    0.0000    22.448  3.8598  ?       ?       ?              ?        
1 1 1 -15 29  7  o 28.854  2.5118  122.149   18.945    111.377   26.321    133.730   27.291    27.435  3.6740  30.272  3.4261  -2.836636      5.023605 
1 1 1 -15 29  8  o 12.099  3.0955  20.182    13.041    24.709    18.166    15.369    18.732    12.901  4.3923  11.296  4.3632  1.604930       6.191058 
1 1 1 -15 29  9  o 15.920  3.2039  39.999    14.342    36.048    19.840    44.324    20.756    15.122  4.5370  16.717  4.5249  -1.594680      6.407712 
1 1 1 -15 29  10 o 8.8455  2.7271  -0.1250   12.285    4.6424    17.067    -5.2507   17.697    9.3696  3.9581  8.3215  3.7526  1.048041       5.454188 
1 1 1 -15 29  11 o 33.343  2.5208  164.910   22.155    170.053   31.513    159.884   31.154    33.898  3.5223  32.787  3.6072  1.110893       5.041620 
1 1 1 -15 29  12 o 35.792  2.5025  191.019   23.654    198.026   33.339    183.916   33.565    36.550  3.4462  35.035  3.6295  1.514992       5.004936 
1 1 1 -15 29  13 o 20.427  3.1098  67.681    17.007    39.267    23.215    100.595   24.985    15.237  4.9600  25.616  3.7527  -10.37881      6.219666 
1 1 1 -15 30  1  o 12.142  2.9316  21.078    11.873    27.915    15.951    12.583    17.780    13.545  4.0690  10.739  4.2215  2.805862       5.863294 
1 1 1 -15 30  2  o 22.959  4.1924  80.682    24.831    0.0000    0.0000    80.682    24.831    ?       ?       22.959  4.1924  ?              ?        
1 1 1 -15 30  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -15 30  4  o 9.1443  2.5380  0.0305    11.309    20.461    15.027    -26.6589  17.175    11.849  3.9949  6.4397  3.1316  5.409146       5.076066 
1 1 1 -15 30  5  o 21.395  2.8765  70.203    15.875    71.692    22.192    68.643    22.717    21.699  3.9645  21.092  4.1689  0.6073055      5.752991 
1 1 1 -15 30  6  o 13.648  2.9857  26.414    14.014    47.569    19.424    3.4424    20.240    17.448  4.2055  9.8470  4.2393  7.601107       5.971444 
1 1 1 -15 30  7  o 16.249  3.2165  42.161    14.736    34.153    20.644    50.480    21.041    14.667  4.6681  17.830  4.4262  -3.163908      6.432938 
1 1 1 -15 30  8  o 7.7684  2.4855  -7.1282   11.367    0.8757    15.859    -15.5843  16.301    8.5675  3.7203  6.9693  3.2971  1.598141       4.971032 
1 1 1 -15 30  9  o 18.076  3.2600  53.074    15.889    46.384    21.967    60.414    23.009    16.804  4.6978  19.349  4.5212  -2.544729      6.520037 
1 1 1 -15 30  10 o 34.794  2.5483  182.352   23.369    192.128   33.089    172.624   33.008    35.847  3.4905  33.741  3.7138  2.106197       5.096651 
1 1 1 -15 30  11 o 34.994  2.6202  187.846   24.038    205.040   33.793    170.234   34.201    36.904  3.4591  33.085  3.9366  3.818352       5.240445 
1 1 1 -15 31  1  o 17.454  3.0244  48.940    14.400    62.218    19.909    34.375    20.852    20.220  3.8160  14.688  4.6932  5.532240       6.048800 
1 1 1 -15 31  2  o 15.105  3.0486  34.643    13.760    19.036    18.706    53.043    20.312    11.819  4.4069  18.391  4.2138  -6.572286      6.097255 
1 1 1 -15 31  3  o 12.467  2.9488  20.372    12.620    5.8946    17.092    37.724    18.713    9.5184  3.9877  15.417  4.3450  -5.898238      5.897547 
1 1 1 -15 31  4  o 18.482  3.1095  53.840    15.235    44.088    20.669    65.443    22.545    16.542  4.5313  20.422  4.2595  -3.879852      6.219011 
1 1 1 -15 31  5  o 8.5962  2.6947  -1.6757   12.312    -0.3953   16.688    -3.2051   18.239    8.5800  3.7689  8.6124  3.8525  -0.3242874E-01 5.389458 
1 1 1 -15 31  6  o 16.624  3.3770  44.940    16.166    32.861    21.910    59.374    23.950    14.259  4.8237  18.988  4.7274  -4.728945      6.754045 
1 1 1 -15 31  7  o 45.508  2.4654  310.238   29.518    354.416   41.787    266.235   41.704    49.142  3.1920  41.874  3.7583  7.268021       4.930858 
1 1 1 -15 31  8  o 11.500  2.9555  16.125    13.533    33.147    18.294    -4.4492   20.112    14.225  4.3752  8.7748  3.9747  5.450601       5.911036 
1 1 1 -15 31  9  o 23.150  3.1355  88.067    18.712    84.622    25.702    91.953    27.296    22.706  4.3848  23.594  4.4832  -0.8885155     6.271000 
1 1 1 -15 32  1  o 12.518  2.8831  21.752    13.207    40.302    17.644    -1.8857   19.917    15.948  4.1060  9.0880  4.0483  6.859687       5.766129 
1 1 1 -15 32  2  o 10.599  3.0386  10.726    13.468    4.9785    17.926    18.176    20.408    9.4761  4.0322  11.722  4.5468  -2.245651      6.077111 
1 1 1 -15 32  3  o 18.833  3.3457  59.229    16.958    66.739    23.818    51.509    24.150    20.252  4.5070  17.414  4.9460  2.837992       6.691442 
1 1 1 -15 32  4  o 7.3725  2.4276  -12.8961  11.516    -20.2625  15.005    -2.3365   17.965    6.1891  2.9896  8.5559  3.8256  -2.366783      4.855206 
1 1 1 -15 32  5  o 19.135  3.0685  61.036    16.277    32.204    22.666    91.743    23.391    13.895  4.8972  24.376  3.6987  -10.48061      6.137071 
1 1 1 -15 32  6  o 24.292  3.0189  95.677    18.883    91.698    25.687    100.355   27.853    23.823  4.1779  24.760  4.3590  -0.9372749     6.037878 
1 1 1 -15 33  1  o 10.475  3.0112  11.559    13.162    7.1368    17.355    17.546    20.194    9.5358  4.0078  11.415  4.4952  -1.879240      6.022382 
1 1 1 -15 33  2  o 19.005  3.1798  59.908    16.025    47.612    21.561    75.084    23.954    16.643  4.6546  21.367  4.3336  -4.723930      6.359688 
1 1 1 -15 33  3  o 14.439  3.3563  34.505    15.690    20.301    21.059    52.228    23.523    11.749  4.6017  17.129  4.8870  -5.379822      6.712567 
1 1 1 -14 -31 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -31 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -31 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -31 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -31 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -30 7  o 7.9952  3.5582  -3.5064   15.347    0.0000    0.0000    -3.5064   15.347    ?       ?       7.9952  3.5582  ?              ?        
1 1 1 -14 -30 8  o 42.297  2.3998  254.998   26.678    306.592   39.370    211.189   36.278    46.412  3.1863  38.181  3.5895  8.230400       4.799647 
1 1 1 -14 -30 9  o 30.881  2.6178  138.159   21.061    160.514   30.922    118.815   28.764    33.342  3.5154  28.420  3.8800  4.921682       5.235687 
1 1 1 -14 -30 10 o 23.437  2.9998  81.546    18.017    91.207    27.518    74.296    23.838    24.612  4.3325  22.263  4.1502  2.348627       5.999563 
1 1 1 -14 -30 11 o 30.830  2.6385  137.113   21.066    166.365   31.138    112.425   28.606    34.036  3.4638  27.625  3.9810  6.411230       5.277021 
1 1 1 -14 -30 12 o 21.217  3.1572  67.614    17.334    80.151    26.018    57.609    23.243    23.054  4.3736  19.381  4.5545  3.672600       6.314450 
1 1 1 -14 -30 13 o 9.9739  2.9446  -0.8403   13.062    18.951    22.344    -11.1158  16.100    12.518  4.7830  7.4301  3.4358  5.087632       5.889104 
1 1 1 -14 -30 14 o 40.261  2.4070  231.272   25.677    232.004   37.306    230.612   35.395    40.257  3.4945  40.266  3.3111  -0.9971619E-02 4.814059 
1 1 1 -14 -30 15 o 59.007  2.3480  493.860   36.923    521.549   52.583    466.928   51.859    60.716  3.2451  57.297  3.3942  3.418655       4.695926 
1 1 1 -14 -30 16 o 19.463  3.2476  57.580    16.533    62.434    25.280    53.953    21.854    20.102  4.7674  18.824  4.4114  1.278183       6.495270 
1 1 1 -14 -30 17 o 14.255  3.2144  30.671    14.520    17.165    22.904    39.746    18.774    12.324  4.8067  16.185  4.2692  -3.861168      6.428843 
1 1 1 -14 -30 18 o 20.905  3.3260  65.892    18.389    91.368    27.749    45.943    24.555    24.656  4.3613  17.154  5.0227  7.501968       6.651947 
1 1 1 -14 -30 19 o 45.881  2.4558  301.284   29.943    290.522   42.082    312.321   42.615    45.009  3.5186  46.753  3.4268  -1.744366      4.911618 
1 1 1 -14 -30 20 o 53.415  2.4389  409.095   34.554    446.850   48.695    370.802   49.041    56.097  3.2548  50.734  3.6330  5.363674       4.877724 
1 1 1 -14 -30 21 o 33.004  2.9663  164.990   24.705    126.896   35.776    199.715   34.157    28.739  4.8182  37.269  3.4612  -8.530445      5.932502 
1 1 1 -14 -30 22 o 20.722  3.6856  69.626    20.706    55.758    30.331    81.729    28.336    18.497  5.6233  22.948  4.7658  -4.451248      7.371178 
1 1 1 -14 -30 23 o 38.116  2.7130  213.457   27.202    195.417   38.632    231.198   38.310    36.329  4.0384  39.902  3.6240  -3.573494      5.426088 
1 1 1 -14 -30 24 o 41.752  2.6247  254.604   28.998    272.235   41.406    237.632   40.625    43.275  3.6050  40.228  3.8159  3.047424       5.249489 
1 1 1 -14 -30 25 o 46.145  3.4823  321.941   38.362    354.142   71.430    308.888   45.477    46.389  5.8808  45.901  3.7313  0.4884071      6.964631 
1 1 1 -14 -30 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -30 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -29 3  o 12.065  3.0674  19.355    13.263    6.9033    21.322    27.214    16.939    10.627  4.4531  13.503  4.2196  -2.875813      6.134728 
1 1 1 -14 -29 4  o 10.789  3.0532  10.523    12.877    13.924    21.733    8.6839    15.984    11.672  4.6420  9.9059  3.9673  1.765853       6.106369 
1 1 1 -14 -29 5  o 10.574  2.4807  4.9937    12.163    -43.6391  20.245    32.463    15.215    6.3935  3.1658  14.755  3.8200  -8.361292      4.961332 
1 1 1 -14 -29 6  o 25.206  2.7554  92.128    17.856    100.120   27.424    86.248    23.525    26.074  4.0589  24.338  3.7274  1.735580       5.510727 
1 1 1 -14 -29 7  o 19.152  2.9792  52.490    15.483    88.470    23.885    26.413    20.334    24.680  3.7296  13.623  4.6469  11.05665       5.958458 
1 1 1 -14 -29 8  o 46.545  2.2787  305.599   28.191    297.049   40.555    313.593   39.215    45.837  3.3259  47.252  3.1159  -1.415462      4.557467 
1 1 1 -14 -29 9  o 10.241  3.0145  4.4569    13.319    12.678    21.976    -0.3172   16.746    11.641  4.6555  8.8411  3.8310  2.800322       6.029078 
1 1 1 -14 -29 10 o 10.053  2.6682  4.8453    12.284    -28.9452  20.530    23.688    15.331    7.2871  3.5143  12.819  4.0157  -5.531466      5.336308 
1 1 1 -14 -29 11 o 20.861  3.1555  66.844    17.024    54.163    25.683    76.782    22.737    18.758  5.0150  22.965  3.8314  -4.206657      6.311082 
1 1 1 -14 -29 12 o 42.632  2.3035  255.445   26.078    269.897   37.792    242.310   36.030    43.794  3.2449  41.469  3.2703  2.325138       4.606942 
1 1 1 -14 -29 13 o 17.414  3.3603  45.621    15.940    49.548    24.727    42.829    20.851    17.980  4.9690  16.847  4.5249  1.132904       6.720545 
1 1 1 -14 -29 14 o 27.041  2.6874  106.399   18.742    96.232    27.343    115.410   25.740    25.625  4.1235  28.456  3.4474  -2.830881      5.374740 
1 1 1 -14 -29 15 o 30.126  2.6402  130.551   20.685    148.737   29.645    113.295   28.876    32.329  3.4783  27.922  3.9731  4.406555       5.280500 
1 1 1 -14 -29 16 o 12.243  3.1281  18.319    12.898    25.062    20.918    14.183    16.383    13.478  4.7077  11.009  4.1203  2.469190       6.256156 
1 1 1 -14 -29 17 o 6.9050  2.3319  -17.3725  10.987    -21.0621  19.976    -15.7722  13.156    7.6805  3.6383  6.1296  2.9178  1.550919       4.663836 
1 1 1 -14 -29 18 o 50.248  2.3566  356.233   31.523    342.577   44.366    370.156   44.797    49.232  3.3850  51.265  3.2796  -2.032578      4.713194 
1 1 1 -14 -29 19 o 30.487  2.7179  134.147   21.627    148.223   31.291    121.271   29.925    32.110  3.7062  28.864  3.9763  3.246359       5.435718 
1 1 1 -14 -29 20 o 35.944  2.5691  185.224   24.364    177.971   34.705    192.272   34.211    35.175  3.7411  36.713  3.5223  -1.538189      5.138278 
1 1 1 -14 -29 21 o 19.028  3.5798  54.431    19.037    77.091    28.767    36.775    25.393    22.391  4.9300  15.665  5.1918  6.726274       7.159632 
1 1 1 -14 -29 22 o 12.630  3.4754  17.963    17.007    12.988    25.230    22.106    23.024    12.137  4.9400  13.122  4.8898  -0.9844608     6.950830 
1 1 1 -14 -29 23 o 57.262  2.4025  466.522   36.589    498.396   51.497    434.029   51.995    59.384  3.2499  55.139  3.5393  4.245407       4.805055 
1 1 1 -14 -29 24 f 25.049  3.3431  95.526    21.586    103.860   31.384    88.044    29.737    26.155  4.6503  23.942  4.8041  2.212925       6.686118 
1 1 1 -14 -29 25 o 46.188  2.5365  306.812   31.132    311.138   44.130    302.527   43.925    46.530  3.5681  45.845  3.6062  0.6845322      5.073018 
1 1 1 -14 -29 26 o 39.686  2.6961  231.484   27.901    196.990   40.017    264.119   38.923    36.450  4.1740  42.923  3.4138  -6.472324      5.392244 
1 1 1 -14 -29 27 o 14.895  3.7562  31.279    19.169    45.149    28.888    20.368    25.622    16.806  5.5360  12.984  5.0784  3.821986       7.512483 
1 1 1 -14 -29 28 o 17.033  3.5533  46.091    19.338    18.323    28.409    70.067    26.399    12.974  5.2561  21.092  4.7830  -8.117555      7.106602 
1 1 1 -14 -29 29 o 26.056  3.4369  106.634   23.038    124.951   33.661    90.492    31.599    28.418  4.5777  23.694  5.1278  4.723995       6.873814 
1 1 1 -14 -29 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -29 31 o 10.492  4.7014  -2.1050   27.291    -2.1050   27.291    0.0000    0.0000    10.492  4.7014  ?       ?       ?              ?        
1 1 1 -14 -28 1  o 9.3017  2.6906  -4.6497   10.894    20.881    19.575    -16.1039  13.112    12.534  4.5357  6.0691  2.8956  6.465229       5.381176 
1 1 1 -14 -28 2  o 9.8425  2.4061  4.7626    10.518    -26.3273  16.461    26.209    13.672    6.3417  3.0797  13.343  3.6976  -7.001671      4.812200 
1 1 1 -14 -28 3  o 8.4127  2.6097  -10.1016  11.162    10.637    19.385    -20.3860  13.651    10.913  4.3696  5.9121  2.8548  5.001279       5.219494 
1 1 1 -14 -28 4  o 5.7078  2.0016  -28.4695  9.9770    -31.9761  18.328    -26.9928  11.894    6.5278  3.1878  4.8879  2.4214  1.639920       4.003110 
1 1 1 -14 -28 5  o 8.9153  2.7152  0.6608    11.613    -7.1726   19.705    4.8295    14.375    8.8199  3.9701  9.0107  3.7050  -0.1907825     5.430406 
1 1 1 -14 -28 6  o 28.446  2.5272  115.587   18.730    115.104   27.848    115.985   25.309    28.295  3.7681  28.597  3.3688  -0.3020115     5.054498 
1 1 1 -14 -28 7  o 41.633  2.2442  242.390   24.812    255.954   35.939    230.036   34.299    42.757  3.1605  40.509  3.1869  2.248013       4.488318 
1 1 1 -14 -28 8  o 17.213  3.1986  43.601    14.708    49.554    23.362    39.691    18.930    18.099  4.7567  16.327  4.2775  1.772289       6.397111 
1 1 1 -14 -28 9  f 37.169  2.3523  194.378   23.156    198.448   33.481    190.647   32.061    37.522  3.3672  36.816  3.2857  0.7062874      4.704685 
1 1 1 -14 -28 10 o 38.050  2.3257  203.554   23.456    203.153   33.726    203.930   32.643    37.980  3.3496  38.120  3.2274  -0.1394234     4.651390 
1 1 1 -14 -28 11 o 10.807  2.9431  11.898    12.333    2.8093    19.649    17.807    15.844    9.9512  4.2276  11.662  4.0958  -1.711193      5.886245 
1 1 1 -14 -28 12 o 33.335  2.4409  157.010   21.426    171.303   30.924    143.813   29.714    34.854  3.3539  31.816  3.5472  3.038004       4.881700 
1 1 1 -14 -28 13 o 19.815  3.0769  59.044    15.842    52.179    23.621    64.656    21.358    18.583  4.7328  21.047  3.9331  -2.464777      6.153749 
1 1 1 -14 -28 14 o 9.4670  2.7833  -3.7595   12.017    17.708    20.169    -15.5758  14.964    12.200  4.5707  6.7337  3.1775  5.466715       5.566629 
1 1 1 -14 -28 15 o 24.764  2.8824  90.458    18.189    72.894    25.993    107.309   25.461    22.100  4.5430  27.429  3.5487  -5.329746      5.764740 
1 1 1 -14 -28 16 o 21.434  3.1304  69.300    17.372    55.031    25.027    82.567    24.133    19.021  4.8864  23.847  3.9140  -4.825939      6.260706 
1 1 1 -14 -28 17 o 47.555  2.3152  318.358   29.163    350.737   41.123    285.600   41.363    50.131  3.0775  44.979  3.4599  5.151974       4.630497 
1 1 1 -14 -28 18 o 24.775  2.8767  89.912    18.354    84.655    26.644    94.660    25.320    23.948  4.3125  25.602  3.8084  -1.653862      5.753385 
1 1 1 -14 -28 19 o 16.787  3.3667  41.927    16.027    52.923    23.581    32.487    21.849    18.682  4.7129  14.892  4.8090  3.790051       6.733310 
1 1 1 -14 -28 20 o 18.027  3.1949  51.044    16.928    20.725    25.298    75.622    22.778    13.265  5.0844  22.788  3.8702  -9.522597      6.389835 
1 1 1 -14 -28 21 o 26.121  2.9546  100.149   19.724    122.380   28.572    79.909    27.263    29.160  3.7447  23.083  4.5713  6.077456       5.909274 
1 1 1 -14 -28 22 o 12.272  3.0930  8.6996    14.660    41.027    23.437    -12.0776  18.789    16.438  4.9309  8.1061  3.7354  8.332340       6.186059 
1 1 1 -14 -28 23 o 38.029  2.5386  206.851   25.482    195.599   36.526    217.521   35.567    36.909  3.7466  39.149  3.4264  -2.239975      5.077108 
1 1 1 -14 -28 24 f 23.191  3.2650  80.474    19.536    98.807    28.925    65.098    26.490    25.799  4.3400  20.584  4.8790  5.214455       6.530003 
1 1 1 -14 -28 25 o 24.748  3.2647  95.669    20.469    64.434    29.762    123.706   28.197    20.210  5.3965  29.285  3.6756  -9.075869      6.529336 
1 1 1 -14 -28 26 o 8.5046  2.7828  -13.9793  14.965    -21.1773  23.149    -8.8117   19.614    8.4182  3.9662  8.5909  3.9046  -0.1727047     5.565685 
1 1 1 -14 -28 27 o 23.461  3.3681  83.805    20.449    106.492   30.095    64.346    27.872    26.688  4.3607  20.234  5.1343  6.453598       6.736243 
1 1 1 -14 -28 28 o 27.327  3.1439  112.499   21.938    137.549   31.707    89.497    30.384    30.603  3.9611  24.051  4.8833  6.552309       6.287816 
1 1 1 -14 -28 29 o 14.072  3.5741  27.911    17.575    18.213    25.743    36.377    24.052    12.753  5.0584  15.392  5.0505  -2.638907      7.148104 
1 1 1 -14 -28 30 o 30.740  2.8972  141.010   23.210    137.697   33.565    144.045   32.130    30.270  4.2575  31.211  3.9305  -0.9411716     5.794470 
1 1 1 -14 -28 31 o 23.089  3.5646  84.096    21.389    99.963    32.142    71.485    28.654    25.139  4.9498  21.040  5.1307  4.099127       7.129128 
1 1 1 -14 -28 32 o 10.523  3.2879  -1.0210   18.162    6.9844    27.282    -7.3923   24.339    11.457  4.9270  9.5892  4.3549  1.867816       6.575798 
1 1 1 -14 -28 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -27 1  o 37.970  2.2432  202.173   22.483    229.441   32.454    177.010   31.176    40.530  3.0110  35.411  3.3260  5.119411       4.486454 
1 1 1 -14 -27 2  o 26.337  2.5132  98.749    17.229    103.485   25.516    94.780    23.359    26.886  3.6364  25.787  3.4699  1.098850       5.026353 
1 1 1 -14 -27 3  o 16.239  3.0154  37.666    13.285    50.490    20.783    28.807    17.275    18.425  4.2912  14.052  4.2374  4.372953       6.030738 
1 1 1 -14 -27 4  o 19.979  2.9511  60.187    15.195    48.840    22.822    69.224    20.366    18.009  4.6862  21.949  3.5883  -3.939411      5.902261 
1 1 1 -14 -27 5  o 13.918  3.0106  23.836    12.678    44.856    20.871    11.543    15.961    17.327  4.4682  10.510  4.0361  6.816649       6.021159 
1 1 1 -14 -27 6  o 36.630  2.2651  188.832   21.866    174.897   31.775    201.366   30.135    35.226  3.4104  38.034  2.9820  -2.808475      4.530251 
1 1 1 -14 -27 7  o 22.348  2.7673  70.427    15.662    100.878   24.135    48.273    20.585    26.662  3.4612  18.033  4.3188  8.629025       5.534647 
1 1 1 -14 -27 8  o 28.745  2.4473  117.225   18.396    112.554   26.715    121.437   25.370    28.115  3.6325  29.374  3.2805  -1.258692      4.894548 
1 1 1 -14 -27 9  o 23.262  2.7322  77.371    16.307    84.018    24.931    72.401    21.558    24.085  4.0053  22.438  3.7172  1.646845       5.464391 
1 1 1 -14 -27 10 o 36.399  2.2940  185.310   22.120    192.528   31.773    178.521   30.815    37.097  3.2299  35.700  3.2585  1.397457       4.587993 
1 1 1 -14 -27 11 o 19.560  2.9977  55.892    15.169    60.781    22.955    52.102    20.210    20.288  4.3546  18.833  4.1209  1.454704       5.995387 
1 1 1 -14 -27 12 o 33.461  2.3213  156.970   20.515    165.885   29.276    148.369   28.757    34.434  3.2112  32.488  3.3529  1.946014       4.642617 
1 1 1 -14 -27 13 o 12.660  3.0849  21.500    12.906    14.698    19.775    26.546    17.034    11.710  4.4936  13.611  4.2277  -1.900808      6.169771 
1 1 1 -14 -27 14 o 28.005  2.6064  111.687   18.793    134.667   27.210    90.725    25.988    30.946  3.3353  25.064  4.0060  5.882710       5.212744 
1 1 1 -14 -27 15 o 26.836  2.7195  103.258   18.978    102.267   27.205    104.198   26.486    26.673  3.9252  26.999  3.7650  -0.3259602     5.438962 
1 1 1 -14 -27 16 o 60.666  2.2393  511.742   36.255    501.702   50.725    522.228   51.838    60.058  3.1644  61.274  3.1693  -1.215736      4.478662 
1 1 1 -14 -27 17 o 33.446  2.3953  157.563   21.138    150.971   30.040    164.027   29.749    32.701  3.4833  34.191  3.2890  -1.490387      4.790687 
1 1 1 -14 -27 18 o 8.1392  2.6046  -7.0505   11.799    -10.6528  19.688    -5.0314   14.740    8.5162  3.8866  7.7623  3.4684  0.7538943      5.209130 
1 1 1 -14 -27 19 o 29.502  2.6824  124.657   20.673    120.391   29.617    128.710   28.871    28.940  3.9218  30.064  3.6608  -1.124512      5.364894 
1 1 1 -14 -27 20 o 33.630  2.5928  162.263   22.390    200.201   31.903    125.439   31.432    37.817  3.1791  29.443  4.0967  8.374226       5.185547 
1 1 1 -14 -27 21 o 68.387  2.3082  654.224   42.136    687.725   59.190    619.805   59.995    70.302  3.1433  66.472  3.3808  3.830269       4.616328 
1 1 1 -14 -27 22 o 23.651  3.0963  82.856    18.823    97.491    26.978    68.975    26.275    25.902  4.0188  21.400  4.7115  4.501881       6.192607 
1 1 1 -14 -27 23 o 12.844  3.1730  14.454    15.324    41.954    23.188    -6.8676   20.418    16.660  4.8818  9.0278  4.0545  7.631958       6.345909 
1 1 1 -14 -27 24 o 32.296  2.6246  149.810   22.126    168.542   31.452    131.458   31.131    34.458  3.4542  30.133  3.9524  4.325541       5.249141 
1 1 1 -14 -27 25 o 20.154  3.3124  62.775    17.627    50.859    26.189    72.644    23.833    18.146  5.1494  22.162  4.1680  -4.016308      6.624811 
1 1 1 -14 -27 26 o 9.2843  2.9123  -3.8061   14.340    -8.0818   22.281    -0.7828   18.736    9.3104  4.2034  9.2582  4.0319  0.5220890E-01  5.824502 
1 1 1 -14 -27 27 o 9.9185  2.8773  -7.5213   15.150    -45.1912  22.807    22.225    20.267    6.9581  3.4295  12.879  4.6210  -5.920688      5.754601 
1 1 1 -14 -27 28 o 35.725  2.5027  182.669   23.572    198.473   33.740    167.601   32.945    37.325  3.4126  34.125  3.6616  3.200573       5.005314 
1 1 1 -14 -27 29 o 9.9871  3.0694  -0.5784   15.588    -10.3927  23.514    7.1163    20.821    9.3368  4.2558  10.637  4.4242  -1.300605      6.138816 
1 1 1 -14 -27 30 o 34.594  2.7050  174.314   24.552    171.808   36.043    176.483   33.537    34.229  4.0072  34.959  3.6347  -0.7300911     5.410043 
1 1 1 -14 -27 31 o 26.164  3.2287  104.779   21.695    94.431    31.285    114.364   30.110    24.648  4.9112  27.680  4.1925  -3.032574      6.457331 
1 1 1 -14 -27 32 f 17.933  3.6476  51.651    18.647    43.604    26.662    59.356    26.090    16.556  5.3088  19.309  5.0037  -2.753019      7.295191 
1 1 1 -14 -27 33 o 11.983  3.3948  14.146    16.877    23.753    24.269    5.1477    23.487    13.242  5.0026  10.724  4.5906  2.517512       6.789679 
1 1 1 -14 -27 34 f 19.464  3.8321  63.707    20.882    55.564    30.185    71.181    28.918    18.124  5.6277  20.805  5.2028  -2.681515      7.664171 
1 1 1 -14 -27 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -26 1  o 14.688  2.8840  32.165    12.896    12.996    19.460    47.173    17.220    11.363  4.4309  18.014  3.6928  -6.651241      5.768029 
1 1 1 -14 -26 2  o 12.176  2.9947  19.294    11.890    22.803    18.119    16.639    15.758    12.908  4.3866  11.444  4.0779  1.463943       5.989302 
1 1 1 -14 -26 3  o 31.490  2.3136  139.308   18.790    175.634   27.368    106.915   25.844    35.568  2.8979  27.413  3.6073  8.154976       4.627192 
1 1 1 -14 -26 4  o 36.752  2.2247  188.282   21.677    196.568   31.137    180.490   30.197    37.551  3.1242  35.953  3.1681  1.598347       4.449414 
1 1 1 -14 -26 5  o 20.497  2.9044  64.451    15.242    41.919    22.826    82.583    20.476    16.787  4.8219  24.208  3.2391  -7.420776      5.808867 
1 1 1 -14 -26 6  o 22.665  2.7773  73.288    16.053    95.599    23.957    55.108    21.625    25.971  3.5359  19.359  4.2839  6.611683       5.554680 
1 1 1 -14 -26 7  f 42.385  2.1688  249.878   24.362    237.649   35.394    260.888   33.584    41.317  3.2238  43.454  2.9022  -2.137001      4.337660 
1 1 1 -14 -26 8  o 15.131  3.1945  32.393    13.875    40.114    21.392    26.787    18.230    16.494  4.6447  13.769  4.3871  2.725227       6.389045 
1 1 1 -14 -26 9  o 33.202  2.2838  153.026   19.936    175.840   29.169    133.028   27.309    35.588  3.0908  30.816  3.3632  4.771761       4.567695 
1 1 1 -14 -26 10 o 14.796  3.0350  32.022    12.815    26.815    19.450    36.016    17.036    13.872  4.5413  15.721  4.0277  -1.849019      6.070051 
1 1 1 -14 -26 11 o 43.872  2.1788  266.296   25.440    269.096   36.032    263.513   35.922    44.108  3.0690  43.635  3.0936  0.4729843      4.357612 
1 1 1 -14 -26 12 o 24.924  3.8752  88.645    25.029    88.645    25.029    0.0000    0.0000    24.924  3.8752  ?       ?       ?              ?        
1 1 1 -14 -26 13 o 29.400  3.5532  121.589   27.412    121.589   27.412    0.0000    0.0000    29.400  3.5532  ?       ?       ?              ?        
1 1 1 -14 -26 14 o 28.979  3.6011  118.325   27.349    118.325   27.349    0.0000    0.0000    28.979  3.6011  ?       ?       ?              ?        
1 1 1 -14 -26 15 o 14.954  4.8523  31.612    22.224    31.612    22.224    0.0000    0.0000    14.954  4.8523  ?       ?       ?              ?        
1 1 1 -14 -26 16 o 31.803  3.4302  141.644   28.757    141.644   28.757    0.0000    0.0000    31.803  3.4302  ?       ?       ?              ?        
1 1 1 -14 -26 17 o 22.800  4.1416  75.153    24.361    75.153    24.361    0.0000    0.0000    22.800  4.1416  ?       ?       ?              ?        
1 1 1 -14 -26 18 o 40.133  2.2918  224.221   24.395    230.088   34.003    217.997   35.020    40.722  3.1417  39.544  3.3375  1.178280       4.583536 
1 1 1 -14 -26 19 o 24.054  2.9819  85.970    17.983    123.251   25.813    50.812    25.067    29.664  3.3050  18.444  4.9644  11.21950       5.963872 
1 1 1 -14 -26 20 o 104.441 2.6633  1528.49   74.501    1526.66   104.749   1530.37   105.982   104.403 3.7458  104.479 3.7871  -0.7610321E-01 5.326694 
1 1 1 -14 -26 21 o 43.573  2.2623  264.548   26.110    236.870   36.616    293.184   37.244    41.162  3.3502  45.985  3.0410  -4.822842      4.524501 
1 1 1 -14 -26 22 o 67.761  2.2758  636.954   41.293    616.545   57.730    658.335   59.087    66.638  3.2343  68.884  3.2025  -2.245308      4.551581 
1 1 1 -14 -26 23 o 39.986  2.3568  224.260   24.929    246.017   35.569    203.256   34.949    41.980  3.1870  37.992  3.4728  3.988499       4.713553 
1 1 1 -14 -26 24 o 76.787  2.3676  823.608   48.681    842.661   68.680    804.370   69.013    77.725  3.2989  75.848  3.3970  1.877647       4.735271 
1 1 1 -14 -26 25 o 21.817  3.1466  71.091    17.768    58.714    25.053    83.618    25.203    19.696  4.7940  23.937  4.0770  -4.240879      6.293194 
1 1 1 -14 -26 26 o 14.409  3.3002  28.232    15.455    44.349    22.280    13.287    21.456    17.127  4.7100  11.690  4.6240  5.436315       6.600424 
1 1 1 -14 -26 27 o 46.152  2.2632  299.297   27.788    289.628   39.378    308.889   39.220    45.365  3.2625  46.940  3.1375  -1.574791      4.526356 
1 1 1 -14 -26 28 o 11.679  2.8155  2.3357    14.281    41.330    20.720    -32.9558  19.712    16.525  4.5410  6.8325  3.3298  9.692636       5.631048 
1 1 1 -14 -26 29 o 38.797  2.4184  214.014   24.788    235.753   35.511    193.355   34.617    40.823  3.2752  36.772  3.5593  4.051708       4.836877 
1 1 1 -14 -26 30 o 27.392  2.8366  110.044   20.154    118.774   28.862    101.737   28.155    28.545  3.8750  26.239  4.1437  2.306396       5.673273 
1 1 1 -14 -26 31 f 16.269  3.5001  40.498    17.186    27.600    24.575    52.844    24.044    14.072  5.0836  18.465  4.8125  -4.393263      7.000209 
1 1 1 -14 -26 32 o 21.677  3.2600  73.267    18.968    110.685   27.323    38.461    26.352    27.508  3.8107  15.845  5.2906  11.66328       6.520075 
1 1 1 -14 -26 33 o 12.669  3.4880  18.983    17.041    21.247    24.433    16.838    23.780    13.015  4.9948  12.323  4.8700  0.6925974      6.975996 
1 1 1 -14 -26 34 o 27.000  3.0990  110.813   21.625    116.145   30.627    105.512   30.537    27.746  4.2570  26.254  4.5048  1.492413       6.198007 
1 1 1 -14 -26 35 o 15.888  3.7134  40.154    18.481    34.148    25.774    46.510    26.514    14.877  5.2240  16.898  5.2788  -2.020830      7.426761 
1 1 1 -14 -26 36 o 21.881  3.6735  78.512    21.298    93.152    31.211    65.752    29.137    23.972  5.0217  19.791  5.3629  4.181383       7.346953 
1 1 1 -14 -26 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -25 1  o 9.6957  2.6905  3.5801    10.683    18.896    17.074    -6.2720   13.694    12.080  4.2512  7.3115  3.2987  4.768252       5.380942 
1 1 1 -14 -25 2  o 14.001  2.8168  24.651    12.368    47.987    18.761    6.7172    16.448    18.148  3.9701  9.8542  3.9968  8.293417       5.633517 
1 1 1 -14 -25 3  o 27.304  2.3385  104.441   16.657    118.234   24.060    91.744    23.085    29.117  3.1344  25.491  3.4713  3.625677       4.677055 
1 1 1 -14 -25 4  o 38.000  3.1213  200.219   31.489    200.219   31.489    0.0000    0.0000    38.000  3.1213  ?       ?       ?              ?        
1 1 1 -14 -25 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -25 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -25 7  o 43.102  2.9435  255.604   33.779    0.0000    0.0000    255.604   33.779    ?       ?       43.102  2.9435  ?              ?        
1 1 1 -14 -25 8  o 76.751  2.2712  809.768   46.625    866.671   66.523    754.821   65.369    79.454  3.1258  74.048  3.2959  5.405319       4.542423 
1 1 1 -14 -25 9  o 36.685  2.2464  186.351   21.813    176.924   31.162    195.408   30.543    35.725  3.2937  37.645  3.0555  -1.919857      4.492717 
1 1 1 -14 -25 10 o 46.833  2.1242  301.637   26.423    330.538   37.636    273.543   37.106    49.105  2.8740  44.560  3.1288  4.545277       4.248407 
1 1 1 -14 -25 11 f 41.654  2.1628  238.891   23.912    257.752   34.064    220.568   33.574    43.322  2.9533  39.987  3.1604  3.334621       4.325528 
1 1 1 -14 -25 12 o 14.605  3.0341  30.256    13.438    15.820    19.779    42.633    18.314    12.029  4.5223  17.181  4.0463  -5.152298      6.068296 
1 1 1 -14 -25 13 o 39.178  2.1546  211.453   22.368    193.008   31.435    230.370   31.835    37.394  3.1684  40.963  2.9207  -3.569054      4.309135 
1 1 1 -14 -25 14 o 52.756  2.1352  381.863   29.937    341.409   41.720    424.802   42.982    49.815  3.1429  55.697  2.8911  -5.882263      4.270371 
1 1 1 -14 -25 15 o 35.834  2.2851  177.870   21.518    152.127   30.049    204.968   30.829    33.073  3.4426  38.596  3.0059  -5.522614      4.570192 
1 1 1 -14 -25 16 o 43.822  2.1553  264.077   25.131    254.142   35.225    274.375   35.863    42.967  3.0812  44.678  3.0145  -1.710941      4.310625 
1 1 1 -14 -25 17 o 41.120  2.1888  233.367   23.792    204.406   33.335    263.438   33.967    38.436  3.2690  43.805  2.9116  -5.368965      4.377633 
1 1 1 -14 -25 18 o 32.639  2.3674  148.597   20.228    169.227   28.735    128.329   28.481    34.999  3.0972  30.279  3.5811  4.719738       4.734701 
1 1 1 -14 -25 19 o 22.685  2.8482  74.555    16.480    57.061    23.305    92.052    23.307    19.766  4.5024  25.603  3.4895  -5.836859      5.696347 
1 1 1 -14 -25 20 o 13.748  3.3063  24.775    14.502    30.405    22.060    20.490    19.246    14.773  4.8364  12.723  4.5096  2.050097       6.612646 
1 1 1 -14 -25 21 o 36.010  4.0380  183.461   38.277    0.0000    0.0000    183.461   38.277    ?       ?       36.010  4.0380  ?              ?        
1 1 1 -14 -25 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -25 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -25 24 f 22.126  3.0539  71.384    17.430    82.530    25.167    61.111    24.162    23.912  4.0756  20.339  4.5491  3.572958       6.107754 
1 1 1 -14 -25 25 o 35.131  2.3540  172.582   21.863    183.161   31.590    162.857   30.289    36.186  3.2954  34.076  3.3623  2.109894       4.707972 
1 1 1 -14 -25 26 o 48.103  2.1900  321.560   28.004    350.293   40.212    294.500   39.023    50.249  3.0014  45.956  3.1900  4.292896       4.380005 
1 1 1 -14 -25 27 o 21.049  3.2246  66.081    17.637    67.016    25.593    65.234    24.340    21.158  4.6434  20.939  4.4755  0.2185631      6.449185 
1 1 1 -14 -25 28 o 28.113  2.7956  116.511   19.875    90.706    28.734    140.180   27.519    24.720  4.5058  31.506  3.3105  -6.785692      5.591218 
1 1 1 -14 -25 29 o 43.135  2.2706  261.124   25.997    282.996   37.490    240.866   36.081    44.928  3.1351  41.343  3.2854  3.585117       4.541215 
1 1 1 -14 -25 30 o 21.078  3.2522  66.886    17.845    76.080    26.141    58.863    24.419    22.507  4.4936  19.648  4.7027  2.859213       6.504478 
1 1 1 -14 -25 31 o 14.912  3.1116  28.715    16.098    59.345    22.773    -1.8789   22.760    19.822  4.4037  10.002  4.3973  9.819851       6.223292 
1 1 1 -14 -25 32 o 15.170  3.3744  33.338    16.536    14.811    23.605    51.194    23.173    12.113  4.8314  18.227  4.7121  -6.113953      6.748779 
1 1 1 -14 -25 33 o 30.860  2.8325  140.340   22.244    176.593   32.098    106.843   30.854    35.094  3.4598  26.626  4.4859  8.468548       5.665074 
1 1 1 -14 -25 34 o 34.312  2.6489  171.524   23.831    188.692   33.817    154.590   33.587    36.182  3.5346  32.443  3.9463  3.738171       5.297848 
1 1 1 -14 -25 35 o 17.963  3.5758  51.721    19.057    30.348    27.547    71.341    26.392    14.537  5.3621  21.390  4.7320  -6.852537      7.151503 
1 1 1 -14 -25 36 o 9.4894  2.9977  -8.1392   16.261    7.2268    22.778    -24.1083  23.221    10.847  4.5769  8.1319  3.8725  2.714953       5.995334 
1 1 1 -14 -25 37 o 13.269  3.6277  23.672    18.350    25.625    25.548    21.591    26.372    13.510  5.1258  13.028  5.1349  0.4816198      7.255403 
1 1 1 -14 -25 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -24 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -24 2  o 56.987  2.1189  446.663   32.206    437.523   46.070    455.400   45.040    56.382  3.0621  57.591  2.9295  -1.208736      4.237739 
1 1 1 -14 -24 3  o 29.019  2.2319  116.900   17.056    114.815   24.401    118.892   23.849    28.741  3.2254  29.296  3.0857  -0.5556774     4.463755 
1 1 1 -14 -24 4  o 13.818  2.7861  27.600    12.118    7.2746    18.949    41.666    15.763    10.553  4.2865  17.084  3.5603  -6.531260      5.572224 
1 1 1 -14 -24 5  o 19.765  2.7820  55.974    14.164    54.944    20.921    56.846    19.247    19.539  4.1269  19.991  3.7318  -0.4520645     5.564000 
1 1 1 -14 -24 6  o 12.358  2.7592  18.765    11.967    -2.3271   18.161    34.952    15.910    9.1128  3.9690  15.604  3.8341  -6.491130      5.518433 
1 1 1 -14 -24 7  o 44.938  2.0610  276.477   24.605    302.930   35.164    251.102   34.439    47.090  2.8006  42.786  3.0246  4.303719       4.122067 
1 1 1 -14 -24 8  f 38.687  2.1244  205.243   21.835    210.911   31.211    199.809   30.559    39.215  2.9940  38.158  3.0146  1.057915       4.248733 
1 1 1 -14 -24 9  o 32.357  2.2249  144.887   18.923    129.918   26.998    159.341   26.530    30.634  3.3447  34.080  2.9350  -3.445560      4.449808 
1 1 1 -14 -24 10 o 50.232  2.0940  345.235   27.974    375.442   39.764    315.638   39.361    52.457  2.8407  48.007  3.0772  4.450081       4.187920 
1 1 1 -14 -24 11 o 35.861  2.1745  176.998   20.559    199.214   29.261    155.335   28.894    38.157  2.8843  33.565  3.2548  4.592152       4.348928 
1 1 1 -14 -24 12 o 34.712  2.1906  166.651   19.903    194.514   28.187    138.945   28.107    37.724  2.8097  31.700  3.3616  6.024403       4.381150 
1 1 1 -14 -24 13 o 35.727  2.2293  175.988   20.941    151.043   29.385    201.731   29.851    33.065  3.3649  38.390  2.9251  -5.325260      4.458530 
1 1 1 -14 -24 14 o 58.902  2.0952  473.332   32.980    483.841   46.318    462.525   46.969    59.624  2.9003  58.181  3.0244  1.442841       4.190334 
1 1 1 -14 -24 15 o 72.685  2.1788  721.664   42.342    765.342   59.617    677.204   60.148    74.954  2.9695  70.415  3.1891  4.539078       4.357533 
1 1 1 -14 -24 16 o 56.985  2.1080  443.956   32.039    454.508   44.835    432.944   45.801    57.705  2.9101  56.264  3.0506  1.441357       4.216022 
1 1 1 -14 -24 17 o 31.698  2.2881  138.730   19.126    130.143   26.849    147.576   27.252    30.667  3.3217  32.729  3.1475  -2.061775      4.576102 
1 1 1 -14 -24 18 f 107.569 2.5912  1592.47   74.653    1574.47   104.964   1610.90   106.196   106.954 3.6640  108.184 3.6649  -1.229584      5.182301 
1 1 1 -14 -24 19 o 81.788  2.2952  915.836   50.277    906.324   70.596    925.626   71.620    81.361  3.2395  82.215  3.2523  -0.8546524     4.590387 
1 1 1 -14 -24 20 o 42.389  2.1571  247.577   24.188    275.863   34.188    219.227   34.227    44.897  2.8579  39.880  3.2320  5.016369       4.314292 
1 1 1 -14 -24 21 o 27.303  2.4991  104.425   17.722    118.006   25.280    91.303    24.850    29.151  3.2956  25.455  3.7578  3.696280       4.998158 
1 1 1 -14 -24 22 o 23.328  2.8725  80.136    16.859    54.853    24.277    103.688   23.431    19.359  4.7237  27.297  3.2698  -7.937948      5.744938 
1 1 1 -14 -24 23 o 8.7904  2.7364  -4.3453   12.449    -0.0117   18.764    -7.7529   16.639    9.5205  4.0899  8.0604  3.6364  1.460179       5.472723 
1 1 1 -14 -24 24 o 76.304  2.2583  801.097   46.150    788.491   65.239    813.723   65.293    75.687  3.2181  76.920  3.1691  -1.232841      4.516564 
1 1 1 -14 -24 25 o 14.943  4.9370  31.183    22.969    0.0000    0.0000    31.183    22.969    ?       ?       14.943  4.9370  ?              ?        
1 1 1 -14 -24 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -24 27 o 15.231  3.1437  32.189    15.109    11.107    21.468    52.879    21.268    11.492  4.5994  18.969  4.2867  -7.477675      6.287301 
1 1 1 -14 -24 28 o 20.962  3.0745  64.721    16.701    71.938    23.840    57.765    23.404    22.206  4.1610  19.717  4.5272  2.488506       6.148929 
1 1 1 -14 -24 29 o 32.151  2.4715  147.440   20.690    127.659   29.713    166.062   28.829    29.865  3.8005  34.436  3.1608  -4.570953      4.943088 
1 1 1 -14 -24 30 o 36.298  2.3565  185.337   22.537    210.359   32.690    162.670   31.112    38.724  3.1797  33.871  3.4788  4.853405       4.713053 
1 1 1 -14 -24 31 o 26.535  2.7873  102.283   19.191    108.358   27.628    96.619    26.678    27.338  3.8820  25.732  4.0007  1.606730       5.574586 
1 1 1 -14 -24 32 o 15.878  3.3866  37.942    16.836    18.331    24.857    54.563    22.883    12.813  5.0046  18.943  4.5640  -6.130614      6.773189 
1 1 1 -14 -24 33 o 38.940  2.3860  215.816   24.636    220.253   34.860    211.390   34.820    39.367  3.3375  38.513  3.4107  0.8538322      4.771930 
1 1 1 -14 -24 34 o 14.296  3.4027  27.636    16.609    10.232    23.254    45.761    23.731    11.438  4.7088  17.155  4.9134  -5.716972      6.805391 
1 1 1 -14 -24 35 o 10.866  3.2422  6.3379    16.167    7.4901    22.503    5.1090    23.241    10.941  4.5791  10.790  4.5912  0.1514978      6.484369 
1 1 1 -14 -24 36 o 8.2567  2.7418  -19.9393  15.593    -29.4451  22.025    -10.3867  22.079    7.5561  3.6430  8.9574  4.0986  -1.401360      5.483618 
1 1 1 -14 -24 37 o 16.112  3.5600  39.084    18.249    19.619    25.115    60.856    26.561    12.765  5.0174  19.459  5.0516  -6.694204      7.119933 
1 1 1 -14 -24 38 o 12.076  3.4405  14.204    17.564    25.668    25.141    3.2732    24.549    13.507  5.0944  10.645  4.6255  2.862239       6.880956 
1 1 1 -14 -24 39 o 13.367  5.3009  23.974    28.266    0.0000    0.0000    23.974    28.266    ?       ?       13.367  5.3009  ?              ?        
1 1 1 -14 -24 40 o 8.2585  2.7964  -30.8669  17.675    -49.6513  23.861    -8.0291   26.310    6.8117  3.3839  9.7052  4.4530  -2.893410      5.592822 
1 1 1 -14 -23 1  o 10.488  2.8058  11.240    10.935    6.4260    16.516    14.998    14.591    9.9045  4.0093  11.072  3.9263  -1.167691      5.611689 
1 1 1 -14 -23 2  o 62.340  2.1094  531.107   35.082    575.683   50.027    487.974   49.210    64.995  2.8737  59.685  3.0888  5.310204       4.218845 
1 1 1 -14 -23 3  o 38.246  2.0335  200.212   20.677    202.955   29.338    197.503   29.148    38.511  2.8647  37.981  2.8868  0.5299187      4.066951 
1 1 1 -14 -23 4  o 53.777  2.0443  394.595   29.336    393.655   41.719    395.515   41.260    53.706  2.9110  53.847  2.8711  -0.1406822     4.088678 
1 1 1 -14 -23 5  o 47.142  2.0406  303.320   25.586    328.855   36.505    278.662   35.872    49.129  2.7856  45.154  2.9828  3.974892       4.081230 
1 1 1 -14 -23 6  o 18.196  2.7125  46.723    12.859    61.657    18.937    33.944    17.517    20.969  3.4946  15.424  4.1494  5.545436       5.424921 
1 1 1 -14 -23 7  o 29.490  2.1673  119.497   16.866    122.486   24.118    116.635   23.596    29.857  3.0590  29.124  3.0711  0.7322216      4.334623 
1 1 1 -14 -23 8  o 33.457  2.1296  154.114   18.724    133.888   26.565    174.083   26.396    31.193  3.2262  35.721  2.7807  -4.528736      4.259148 
1 1 1 -14 -23 9  o 43.933  2.0445  263.131   23.919    258.173   33.949    268.018   33.705    43.510  2.9302  44.356  2.8521  -0.8458519     4.089048 
1 1 1 -14 -23 10 o 11.860  2.7103  9.9168    12.129    37.361    18.113    -12.3912  16.331    16.178  4.1576  7.5427  3.4782  8.635332       5.420607 
1 1 1 -14 -23 11 o 48.440  2.0297  320.595   26.069    356.741   36.775    284.082   36.961    51.252  2.6882  45.628  3.0417  5.624245       4.059395 
1 1 1 -14 -23 12 o 23.467  2.5374  76.977    15.415    72.888    21.996    80.925    21.611    22.805  3.7300  24.130  3.4411  -1.325239      5.074838 
1 1 1 -14 -23 13 o 9.9370  2.7637  5.8732    11.125    15.355    16.602    -1.8522   14.986    11.525  4.1761  8.3493  3.6210  3.175305       5.527324 
1 1 1 -14 -23 14 o 55.682  2.0433  422.257   30.334    444.750   42.305    398.453   43.519    57.285  2.7571  54.078  3.0165  3.206783       4.086686 
1 1 1 -14 -23 15 f 14.857  3.0482  31.247    12.947    26.074    19.044    35.693    17.654    13.891  4.4901  15.822  4.1237  -1.931032      6.096402 
1 1 1 -14 -23 16 o 117.654 2.7313  1899.11   86.049    1941.06   121.304   1856.62   122.083   119.003 3.8056  116.306 3.9189  2.697563       5.462665 
1 1 1 -14 -23 17 o 53.204  2.0533  385.274   29.133    367.723   40.752    403.620   41.664    51.950  2.9407  54.457  2.8665  -2.506592      4.106648 
1 1 1 -14 -23 18 o 87.192  2.3213  1036.69   54.209    1028.96   76.099    1044.65   77.239    86.868  3.2706  87.516  3.2950  -0.6479874     4.642654 
1 1 1 -14 -23 19 o 21.230  2.7502  63.924    15.036    69.804    21.164    57.932    21.364    22.296  3.6718  20.164  4.0955  2.132307       5.500494 
1 1 1 -14 -23 20 o 30.215  2.2734  126.194   18.047    136.387   25.398    115.798   25.648    31.507  3.0476  28.923  3.3741  2.584173       4.546701 
1 1 1 -14 -23 21 o 37.353  2.1601  191.382   21.409    199.911   30.429    183.021   30.127    38.199  2.9981  36.508  3.1105  1.690937       4.320192 
1 1 1 -14 -23 22 o 18.129  2.8830  46.632    14.693    78.503    21.433    18.373    20.182    23.693  3.4812  12.565  4.5965  11.12730       5.766034 
1 1 1 -14 -23 23 o 73.788  2.1775  743.747   43.035    751.227   61.016    736.343   60.707    74.160  3.0717  73.415  3.0872  0.7455902      4.355039 
1 1 1 -14 -23 24 o 31.649  2.2687  138.736   18.931    132.016   27.031    145.206   26.521    30.852  3.3235  32.445  3.0890  -1.593107      4.537343 
1 1 1 -14 -23 25 o 54.042  2.1073  401.063   30.343    383.743   43.321    417.743   42.513    52.852  3.0735  55.232  2.8837  -2.380764      4.214512 
1 1 1 -14 -23 26 o 23.814  2.6579  80.438    16.312    90.956    23.357    70.424    22.791    25.442  3.5220  22.185  3.9817  3.256208       5.315884 
1 1 1 -14 -23 27 o 48.221  2.1014  320.505   26.973    306.750   38.500    333.765   37.800    47.159  3.0646  49.283  2.8761  -2.124428      4.202804 
1 1 1 -14 -23 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -23 29 o 41.240  3.3354  237.368   36.528    237.368   36.528    0.0000    0.0000    41.240  3.3354  ?       ?       ?              ?        
1 1 1 -14 -23 30 o 28.272  2.6820  115.430   19.492    101.832   28.715    127.051   26.545    26.501  4.1842  30.042  3.3562  -3.540850      5.363936 
1 1 1 -14 -23 31 o 56.023  2.2042  438.607   32.834    406.939   46.988    468.824   45.899    53.928  3.2685  58.118  2.9583  -4.190258      4.408449 
1 1 1 -14 -23 32 o 43.613  2.2780  267.021   26.395    283.475   37.765    251.308   36.906    44.973  3.1550  42.253  3.2868  2.720070       4.556013 
1 1 1 -14 -23 33 f 14.999  3.3731  32.197    15.939    18.755    22.192    46.518    22.906    12.553  4.7738  17.445  4.7667  -4.891557      6.746174 
1 1 1 -14 -23 34 o 16.920  3.5274  44.181    17.056    44.172    23.367    44.192    24.953    16.934  4.8830  16.906  5.0917  0.2837753E-01  7.054709 
1 1 1 -14 -23 35 o 25.870  3.0495  100.038   20.382    96.691    28.552    103.517   29.105    25.396  4.3541  26.345  4.2708  -0.9491177     6.099012 
1 1 1 -14 -23 36 o 25.963  3.0257  101.712   20.113    117.040   28.249    85.956    28.642    28.263  3.8303  23.662  4.6849  4.601318       6.051413 
1 1 1 -14 -23 37 o 19.999  3.5689  63.398    19.173    56.552    26.764    70.614    27.479    18.814  5.1574  21.184  4.9346  -2.369738      7.137832 
1 1 1 -14 -23 38 o 11.531  3.2727  1.2277    18.050    -30.1791  25.385    33.345    25.670    8.2421  3.9582  14.820  5.2130  -6.578092      6.545408 
1 1 1 -14 -23 39 o 33.009  2.9469  165.963   25.113    142.577   35.934    188.290   35.112    30.330  4.5647  35.687  3.7283  -5.356991      5.893809 
1 1 1 -14 -23 40 f 18.376  5.5200  58.088    29.356    0.0000    0.0000    58.088    29.356    ?       ?       18.376  5.5200  ?              ?        
1 1 1 -14 -23 41 o 18.090  5.4711  57.922    28.766    57.922    28.766    0.0000    0.0000    18.090  5.4711  ?       ?       ?              ?        
1 1 1 -14 -22 1  o 74.417  2.1822  754.530   43.400    820.824   61.981    690.757   60.791    77.667  2.9794  71.166  3.1892  6.500664       4.364363 
1 1 1 -14 -22 2  o 43.814  2.0157  262.081   23.479    245.055   33.318    278.877   33.092    42.364  2.9548  45.264  2.7424  -2.900059      4.031355 
1 1 1 -14 -22 3  o 36.402  2.0413  181.257   19.696    169.861   28.043    192.350   27.669    35.236  2.9999  37.568  2.7692  -2.331322      4.082654 
1 1 1 -14 -22 4  o 20.575  2.5416  59.383    13.481    59.768    19.590    59.037    18.579    20.619  3.6823  20.531  3.5043  0.8764458E-01  5.083249 
1 1 1 -14 -22 5  o 35.003  2.0544  167.585   19.036    155.865   27.103    178.995   26.742    33.756  3.0299  36.250  2.7753  -2.493958      4.108850 
1 1 1 -14 -22 6  o 39.682  2.0131  215.367   21.098    187.374   29.881    243.197   29.794    37.041  3.0386  42.323  2.6415  -5.281853      4.026189 
1 1 1 -14 -22 7  o 33.693  2.0739  155.462   18.449    141.275   26.257    169.294   25.927    32.124  3.0897  35.262  2.7673  -3.137600      4.147828 
1 1 1 -14 -22 8  o 54.043  2.0351  396.766   29.340    409.362   41.449    384.116   41.536    54.919  2.8274  53.168  2.9280  1.750698       4.070261 
1 1 1 -14 -22 9  o 30.398  2.1920  126.856   17.525    138.848   24.801    114.898   24.767    31.885  2.9371  28.912  3.2548  2.973248       4.384076 
1 1 1 -14 -22 10 o 50.446  2.0147  345.723   27.054    318.677   38.027    373.443   38.498    48.417  2.9463  52.475  2.7486  -4.057838      4.029336 
1 1 1 -14 -22 11 o 29.855  2.1861  122.437   17.156    133.138   24.161    111.554   24.365    31.223  2.9231  28.487  3.2514  2.735973       4.372217 
1 1 1 -14 -22 12 o 18.137  2.8105  46.596    13.288    51.733    19.061    41.739    18.535    19.142  3.8509  17.133  4.0948  2.009800       5.621086 
1 1 1 -14 -22 13 o 10.089  2.6179  10.229    9.8318    0.3698    15.100    17.486    12.954    8.7036  3.7020  11.474  3.7027  -2.770426      5.235888 
1 1 1 -14 -22 14 o 67.972  2.0820  625.987   37.894    633.348   53.160    618.384   54.030    68.389  2.9021  67.555  2.9860  0.8345337      4.163914 
1 1 1 -14 -22 15 o 36.608  2.0663  182.716   20.075    184.760   27.930    180.531   28.875    36.836  2.8530  36.380  2.9897  0.4557457      4.132601 
1 1 1 -14 -22 16 o 74.295  2.1450  748.956   42.656    767.628   59.755    729.554   60.912    75.260  2.9643  73.329  3.1013  1.931091       4.290072 
1 1 1 -14 -22 17 o 49.581  1.9947  333.698   26.371    326.349   36.704    341.540   37.914    49.019  2.8072  50.143  2.8345  -1.124630      3.989318 
1 1 1 -14 -22 18 o 13.242  2.9068  21.389    12.676    38.746    18.065    4.5542    17.792    16.494  4.1054  9.9891  4.1164  6.504753       5.813633 
1 1 1 -14 -22 19 o 71.977  2.1181  703.817   40.774    743.533   57.466    663.551   57.863    74.055  2.8972  69.899  3.0906  4.155212       4.236183 
1 1 1 -14 -22 20 o 32.021  2.1965  141.796   18.280    114.257   25.786    169.620   25.919    28.763  3.4137  35.278  2.7651  -6.515501      4.393036 
1 1 1 -14 -22 21 o 23.737  2.5347  78.959    15.535    72.670    22.412    84.775    21.554    22.744  3.8139  24.729  3.3395  -1.984745      5.069309 
1 1 1 -14 -22 22 f 80.240  2.2061  876.347   47.412    886.351   67.075    866.359   67.026    80.704  3.1030  79.775  3.1368  0.9292221      4.412268 
1 1 1 -14 -22 23 o 62.086  2.0700  524.185   34.396    498.642   48.463    550.112   48.826    60.542  2.9886  63.630  2.8648  -3.088047      4.139940 
1 1 1 -14 -22 24 o 21.828  2.7603  67.933    15.467    60.506    22.412    74.687    21.372    20.567  4.2100  23.089  3.5711  -2.521425      5.520577 
1 1 1 -14 -22 25 o 18.473  2.9680  49.447    14.548    35.257    20.535    63.744    20.612    15.721  4.5904  21.225  3.7635  -5.504341      5.935948 
1 1 1 -14 -22 26 o 26.606  2.4693  98.974    16.810    123.743   24.413    76.645    23.180    29.940  3.0886  23.272  3.8536  6.667950       4.938609 
1 1 1 -14 -22 27 o 30.368  2.3600  128.393   18.826    122.753   27.172    133.599   26.108    29.669  3.4856  31.066  3.1825  -1.397032      4.719916 
1 1 1 -14 -22 28 o 61.735  2.1228  522.211   35.084    520.578   50.367    523.749   48.897    61.618  3.0518  61.852  2.9515  -0.2338448     4.245526 
1 1 1 -14 -22 29 o 71.703  2.2177  707.629   42.578    697.706   60.735    717.219   59.706    71.178  3.1857  72.228  3.0862  -1.049568      4.435433 
1 1 1 -14 -22 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -22 31 o 49.766  3.1225  343.763   41.411    343.763   41.411    0.0000    0.0000    49.766  3.1225  ?       ?       ?              ?        
1 1 1 -14 -22 32 o 19.780  2.9955  60.670    16.988    16.852    24.369    102.097   23.695    12.692  4.9559  26.868  3.3664  -14.17650      5.991086 
1 1 1 -14 -22 33 o 25.798  2.8487  96.825    19.039    97.419    27.157    96.250    26.700    25.865  4.0530  25.731  4.0043  0.1342754      5.697472 
1 1 1 -14 -22 34 o 27.133  2.7563  107.137   19.403    114.100   27.280    100.010   27.602    28.136  3.7104  26.129  4.0771  2.007088       5.512641 
1 1 1 -14 -22 35 o 27.503  3.0129  113.779   20.730    79.275    29.086    149.402   29.554    22.687  4.9277  32.319  3.4683  -9.632456      6.025835 
1 1 1 -14 -22 36 o 31.744  2.7262  147.120   22.483    168.855   32.125    126.252   31.477    34.260  3.5524  29.227  4.1364  5.032850       5.452449 
1 1 1 -14 -22 37 o 31.657  2.8966  149.817   23.340    117.248   33.136    181.891   32.883    27.769  4.6172  35.546  3.4991  -7.777542      5.793234 
1 1 1 -14 -22 38 o 40.472  2.5545  237.391   27.338    220.291   38.489    254.803   38.838    38.882  3.7419  42.062  3.4786  -3.180050      5.109056 
1 1 1 -14 -22 39 o 14.271  3.5075  27.521    18.333    48.767    25.224    3.7317    26.691    17.414  5.0884  11.127  4.8290  6.287065       7.015040 
1 1 1 -14 -22 40 o 11.073  3.3572  5.3039    17.899    -1.6255   24.380    13.406    26.362    10.119  4.4948  12.027  4.9881  -1.908048      6.714498 
1 1 1 -14 -22 41 o 14.382  5.4764  31.624    29.229    0.0000    0.0000    31.624    29.229    ?       ?       14.382  5.4764  ?              ?        
1 1 1 -14 -22 42 o 19.103  3.6803  58.919    22.680    16.969    30.386    111.690   34.080    12.495  5.2800  25.711  5.1285  -13.21641      7.360684 
1 1 1 -14 -21 1  o 63.881  2.0544  553.238   35.146    566.731   49.912    539.969   49.498    64.660  2.8819  63.102  2.9285  1.557503       4.108758 
1 1 1 -14 -21 2  o 64.498  2.0611  563.648   35.605    570.880   50.602    556.557   50.107    64.909  2.9105  64.087  2.9190  0.8216019      4.122133 
1 1 1 -14 -21 3  o 69.525  2.0837  654.639   38.797    669.828   55.361    639.979   54.388    70.319  2.9392  68.731  2.9543  1.588654       4.167401 
1 1 1 -14 -21 4  o 47.052  1.9617  300.424   24.613    302.951   34.818    297.901   34.798    47.253  2.7630  46.852  2.7855  0.4017868      3.923410 
1 1 1 -14 -21 5  o 70.637  2.1246  678.578   39.941    592.245   56.556    764.478   56.414    66.084  3.1951  75.190  2.8012  -9.105171      4.249175 
1 1 1 -14 -21 6  o 63.834  2.0577  551.173   35.178    562.956   50.070    539.686   49.435    64.510  2.8977  63.157  2.9223  1.352669       4.115403 
1 1 1 -14 -21 7  o 60.688  2.0161  498.088   32.763    486.526   46.473    509.513   46.195    59.979  2.8928  61.396  2.8091  -1.417614      4.032252 
1 1 1 -14 -21 8  o 34.491  2.0582  162.069   18.816    170.771   26.667    153.442   26.552    35.435  2.8334  33.548  2.9861  1.887085       4.116400 
1 1 1 -14 -21 9  o 15.120  2.7597  32.845    11.601    21.472    17.087    42.568    15.801    12.836  4.2591  17.405  3.5105  -4.568499      5.519399 
1 1 1 -14 -21 10 o 45.321  1.9757  278.871   23.831    293.872   33.553    263.601   33.852    46.575  2.7012  44.067  2.8839  2.508446       3.951388 
1 1 1 -14 -21 11 o 61.863  2.0253  517.870   33.513    545.270   47.185    489.978   47.607    63.534  2.7728  60.192  2.9529  3.341988       4.050648 
1 1 1 -14 -21 12 o 32.977  2.0704  148.120   18.095    144.985   25.325    151.389   25.863    32.618  2.9300  33.337  2.9260  -0.7190514     4.140828 
1 1 1 -14 -21 13 o 12.444  2.9143  19.630    11.537    26.163    16.513    13.399    16.125    13.773  4.1407  11.115  4.1020  2.657645       5.828552 
1 1 1 -14 -21 14 o 51.354  1.9710  357.745   26.975    373.260   37.868    341.763   38.436    52.507  2.7018  50.201  2.8704  2.305687       3.941913 
1 1 1 -14 -21 15 o 106.915 2.5088  1553.02   71.843    1537.40   101.057   1568.97   102.154   106.372 3.5469  107.458 3.5492  -1.085899      5.017682 
1 1 1 -14 -21 16 o 90.731  2.3049  1116.21   56.009    1111.86   78.662    1120.68   79.768    90.558  3.2430  90.905  3.2761  -0.3469925     4.609747 
1 1 1 -14 -21 17 o 7.3359  2.3532  -9.3967   10.099    -3.2723   14.834    -14.6882  13.788    8.1371  3.5643  6.5347  3.0734  1.602337       4.706396 
1 1 1 -14 -21 18 o 41.240  1.9821  231.805   21.661    254.867   30.489    208.303   30.779    43.360  2.6377  39.120  2.9594  4.240879       3.964272 
1 1 1 -14 -21 19 o 82.410  2.2019  920.667   48.599    902.518   68.413    939.156   69.052    81.585  3.1307  83.235  3.0973  -1.650383      4.403894 
1 1 1 -14 -21 20 o 46.140  1.9940  289.199   24.518    296.826   34.651    281.553   34.695    46.761  2.7791  45.519  2.8602  1.241337       3.988012 
1 1 1 -14 -21 21 o 20.748  2.6258  60.358    14.050    62.676    20.270    58.215    19.491    21.140  3.7155  20.357  3.7114  0.7832432      5.251617 
1 1 1 -14 -21 22 o 38.864  2.0254  205.782   20.929    200.141   29.623    211.403   29.572    38.319  2.9079  39.408  2.8202  -1.089230      4.050860 
1 1 1 -14 -21 23 o 71.995  2.1385  703.788   41.238    706.420   58.564    701.199   58.076    72.127  3.0314  71.864  3.0171  0.2623749      4.277008 
1 1 1 -14 -21 24 o 89.350  2.3201  1087.66   55.523    1099.64   78.813    1075.86   78.233    89.842  3.2752  88.859  3.2870  0.9822159      4.640125 
1 1 1 -14 -21 25 o 59.658  2.0313  483.600   32.444    474.977   46.300    491.919   45.478    59.120  2.9238  60.196  2.8206  -1.075405      4.062605 
1 1 1 -14 -21 26 o 31.093  2.2666  133.475   18.562    128.462   26.784    138.109   25.749    30.489  3.3341  31.697  3.0714  -1.207767      4.533169 
1 1 1 -14 -21 27 o 36.624  2.1564  184.079   20.921    185.725   30.592    182.632   28.675    36.752  3.1378  36.495  2.9589  0.2569389      4.312827 
1 1 1 -14 -21 28 o 23.530  2.7970  82.078    16.342    52.249    23.676    109.219   22.584    18.941  4.6912  28.119  3.0474  -9.177414      5.594096 
1 1 1 -14 -21 29 o 28.773  2.4130  115.698   18.162    111.035   26.446    119.861   24.986    28.157  3.5882  29.388  3.2273  -1.231449      4.826008 
1 1 1 -14 -21 30 o 56.988  2.1318  446.786   32.392    416.125   46.021    476.888   45.599    54.948  3.1400  59.028  2.8841  -4.079948      4.263518 
1 1 1 -14 -21 31 o 43.726  2.1844  264.251   25.404    276.809   36.331    252.237   35.535    44.764  3.0483  42.687  3.1297  2.077076       4.368895 
1 1 1 -14 -21 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -21 33 o 8.4436  2.7153  -9.7499   13.461    -7.4019   18.824    -12.2074  19.257    8.6200  3.8802  8.2673  3.7993  0.3526611      5.430553 
1 1 1 -14 -21 34 o 17.568  3.3586  46.615    16.161    47.145    23.579    46.146    22.195    17.639  4.8430  17.496  4.6547  0.1425991      6.717200 
1 1 1 -14 -21 35 o 22.821  3.0870  77.436    18.161    81.210    26.495    74.090    24.943    23.340  4.3994  22.303  4.3316  1.037399       6.173938 
1 1 1 -14 -21 36 o 23.221  3.2194  81.145    19.282    68.467    26.464    95.491    28.151    21.117  4.7890  25.326  4.3039  -4.209351      6.438772 
1 1 1 -14 -21 37 o 30.396  2.8222  135.790   22.330    123.621   31.466    148.135   31.694    28.873  4.1912  31.918  3.7807  -3.045525      5.644469 
1 1 1 -14 -21 38 o 16.759  3.0397  35.906    18.358    86.474    26.102    -13.5889  25.823    24.003  4.2136  9.5142  4.3824  14.48888       6.079437 
1 1 1 -14 -21 39 o 8.9425  2.9106  -16.5420  16.807    -0.4997   22.680    -36.0814  25.031    10.024  4.3987  7.8609  3.8130  2.163016       5.821283 
1 1 1 -14 -21 40 o 32.612  3.1406  162.896   25.995    125.193   36.334    202.432   37.207    28.163  4.9999  37.061  3.8020  -8.898653      6.281269 
1 1 1 -14 -21 41 o 15.590  3.4000  33.537    19.704    70.506    27.026    -8.4100   28.789    20.880  4.9142  10.299  4.7001  10.58105       6.799998 
1 1 1 -14 -21 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -20 1  o 37.079  1.9494  186.781   19.213    179.367   26.948    194.447   27.401    36.320  2.7915  37.838  2.7218  -1.517914      3.898802 
1 1 1 -14 -20 2  o 28.160  2.1357  109.636   15.645    93.821    22.555    124.300   21.720    26.103  3.2997  30.217  2.7125  -4.113869      4.271454 
1 1 1 -14 -20 3  o 31.723  1.9994  137.063   16.805    133.536   23.781    140.581   23.751    31.304  2.8681  32.141  2.7864  -0.8368301     3.998784 
1 1 1 -14 -20 4  o 42.348  1.9258  243.187   21.714    252.607   30.705    233.763   30.711    43.182  2.6678  41.514  2.7780  1.668526       3.851541 
1 1 1 -14 -20 5  o 58.884  2.0237  469.191   31.797    506.175   45.278    433.202   44.664    61.231  2.7608  56.536  2.9598  4.694279       4.047466 
1 1 1 -14 -20 6  o 35.083  1.9867  167.337   18.495    159.934   26.215    174.675   26.098    34.292  2.8807  35.874  2.7367  -1.581608      3.973408 
1 1 1 -14 -20 7  o 29.463  2.0786  118.650   16.123    107.990   22.809    129.296   22.794    28.098  3.0812  30.827  2.7908  -2.728903      4.157203 
1 1 1 -14 -20 8  o 27.493  2.1699  103.551   15.660    95.359    22.122    111.780   22.173    26.363  3.1982  28.623  2.9336  -2.259085      4.339887 
1 1 1 -14 -20 9  o 34.010  2.0610  157.521   18.439    133.822   25.689    182.705   26.482    31.315  3.1036  36.706  2.7128  -5.391302      4.122097 
1 1 1 -14 -20 10 o 75.684  2.6775  775.487   50.110    769.670   60.330    788.429   89.984    75.485  2.9839  75.883  4.4466  -0.3979416     5.354983 
1 1 1 -14 -20 11 o 14.737  3.4977  29.770    15.241    35.387    16.818    3.9513    36.056    15.830  3.9727  13.644  5.7578  2.186522       6.995302 
1 1 1 -14 -20 12 o 50.886  2.5760  349.246   31.273    344.637   36.769    361.298   59.459    50.476  2.7298  51.296  4.3692  -0.8199883     5.151902 
1 1 1 -14 -20 13 o 86.530  2.2377  1012.58   51.856    1020.14   72.867    1004.82   73.812    86.866  3.1318  86.194  3.1971  0.6718369      4.475469 
1 1 1 -14 -20 14 o 51.110  1.9358  352.433   26.392    323.616   36.625    383.555   38.063    48.889  2.8087  53.331  2.6646  -4.441380      3.871539 
1 1 1 -14 -20 15 o 46.939  1.9325  297.828   24.174    284.265   33.489    312.583   34.930    45.820  2.7413  48.059  2.7247  -2.238758      3.865084 
1 1 1 -14 -20 16 o 35.406  1.9778  170.064   18.592    162.950   25.831    177.711   26.782    34.631  2.8089  36.180  2.7850  -1.548508      3.955579 
1 1 1 -14 -20 17 o 22.398  2.3534  69.470    13.661    64.509    19.304    74.448    19.335    21.552  3.4612  23.244  3.1897  -1.691925      4.706796 
1 1 1 -14 -20 18 o 30.083  2.1926  125.454   16.785    89.882    23.426    162.988   24.063    25.505  3.5232  34.662  2.6111  -9.157259      4.385271 
1 1 1 -14 -20 19 o 77.652  2.1263  815.953   44.211    837.127   62.395    794.604   62.654    78.676  2.9609  76.628  3.0526  2.047722       4.252655 
1 1 1 -14 -20 20 o 11.660  2.9232  16.193    11.429    16.769    16.521    15.664    15.827    11.822  4.1795  11.497  4.0880  0.3253012      5.846335 
1 1 1 -14 -20 21 o 9.0729  2.4792  -4.5941   10.477    19.777    15.549    -24.8629  14.180    12.299  4.0619  5.8464  2.8436  6.452914       4.958388 
1 1 1 -14 -20 22 o 14.566  2.8115  29.236    11.959    43.487    17.028    15.366    16.799    17.544  3.7381  11.589  4.2005  5.955037       5.622934 
1 1 1 -14 -20 23 o 27.752  2.2918  107.125   16.153    138.166   23.214    77.989    22.491    31.845  2.7485  23.658  3.6681  8.187407       4.583580 
1 1 1 -14 -20 24 o 71.941  2.1084  701.958   40.617    689.444   57.710    714.241   57.175    71.293  3.0222  72.588  2.9407  -1.295265      4.216763 
1 1 1 -14 -20 25 o 14.831  3.0656  30.775    12.934    33.207    18.893    28.629    17.745    15.332  4.3816  14.330  4.2887  1.002212       6.131210 
1 1 1 -14 -20 26 o 12.305  3.0843  18.349    12.649    18.789    19.229    18.014    16.793    12.549  4.5013  12.060  4.2178  0.4890079      6.168557 
1 1 1 -14 -20 27 o 24.544  2.4762  83.751    15.794    89.833    22.898    78.231    21.814    25.420  3.4524  23.667  3.5506  1.752750       4.952342 
1 1 1 -14 -20 28 o 15.253  3.1206  33.111    14.179    18.765    20.964    45.205    19.249    12.757  4.6820  17.749  4.1270  -4.991693      6.241251 
1 1 1 -14 -20 29 o 52.511  2.0778  377.071   29.098    374.560   41.621    379.471   40.695    52.323  2.9822  52.698  2.8941  -0.3751640     4.155663 
1 1 1 -14 -20 30 o 39.483  2.1429  214.275   22.480    222.341   32.080    206.493   31.510    40.227  2.9988  38.738  3.0618  1.488880       4.285754 
1 1 1 -14 -20 31 f 51.934  2.1118  370.610   29.217    393.386   41.589    348.414   41.055    53.548  2.9106  50.321  3.0605  3.226330       4.223563 
1 1 1 -14 -20 32 o 57.703  2.1752  458.937   33.490    472.489   47.861    445.934   46.879    58.547  3.0626  56.859  3.0897  1.687737       4.350429 
1 1 1 -14 -20 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -20 34 o 11.175  3.1402  10.979    14.089    8.3739    19.855    13.620    19.995    10.775  4.3835  11.575  4.4976  -0.8005085     6.280409 
1 1 1 -14 -20 35 f 10.995  3.1640  8.7423    14.740    4.1110    20.793    13.421    20.898    10.352  4.3708  11.637  4.5761  -1.285122      6.328042 
1 1 1 -14 -20 36 o 25.780  3.0130  99.306    19.759    119.441   27.736    78.557    28.156    28.813  3.6778  22.747  4.7735  6.066631       6.025938 
1 1 1 -14 -20 37 o 28.684  3.0167  122.185   21.898    90.953    30.252    156.560   31.738    24.404  4.7992  32.963  3.6563  -8.559723      6.033312 
1 1 1 -14 -20 38 o 13.394  3.6300  22.503    18.234    22.011    25.609    23.009    25.969    13.305  5.1117  13.482  5.1552  -0.1769266     7.259908 
1 1 1 -14 -20 39 o 20.834  3.5571  69.925    20.320    45.470    29.173    92.972    28.321    16.917  5.5628  24.751  4.4349  -7.833378      7.114241 
1 1 1 -14 -20 40 o 13.609  3.6736  23.986    18.733    17.800    25.851    30.826    27.184    12.654  5.0532  14.565  5.3336  -1.910685      7.347278 
1 1 1 -14 -20 41 o 28.269  3.4609  125.880   25.246    123.986   36.063    127.701   35.354    27.970  4.9971  28.569  4.7897  -0.5988750     6.921865 
1 1 1 -14 -20 42 o 9.5666  3.1008  -12.5898  17.918    -23.5399  23.651    2.1636    27.452    8.1926  3.9033  10.941  4.8191  -2.748091      6.201571 
1 1 1 -14 -20 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -19 1  o 41.034  1.9354  229.075   21.001    198.281   29.585    260.354   29.817    38.199  2.9135  43.869  2.5485  -5.669582      3.870854 
1 1 1 -14 -19 2  o 75.078  2.7153  764.587   50.466    759.922   60.849    774.867   90.327    74.982  3.0297  75.174  4.5068  -0.1915588     5.430527 
1 1 1 -14 -19 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -19 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -19 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -19 6  o 40.324  2.5988  226.719   24.917    210.921   45.805    233.359   29.696    39.117  4.4510  41.530  2.6839  -2.413628      5.197598 
1 1 1 -14 -19 7  o 25.784  2.1826  90.786    14.736    99.375    21.349    82.969    20.366    26.976  3.0057  24.591  3.1654  2.385386       4.365120 
1 1 1 -14 -19 8  f 13.630  2.7977  25.295    10.894    31.184    16.022    20.230    14.858    14.903  3.9500  12.358  3.9631  2.544689       5.595442 
1 1 1 -14 -19 9  o 81.072  2.1578  886.716   46.855    878.797   66.109    894.710   66.419    80.707  3.0581  81.437  3.0449  -0.7300339     4.315527 
1 1 1 -14 -19 10 o 53.308  1.9442  383.201   27.692    365.916   38.772    401.200   39.565    52.039  2.7918  54.577  2.7065  -2.537983      3.888363 
1 1 1 -14 -19 11 o 96.362  2.3248  1254.02   60.004    1250.91   84.570    1257.16   85.151    96.244  3.2806  96.481  3.2950  -0.2367020     4.649686 
1 1 1 -14 -19 12 o 43.705  1.9166  258.062   22.310    253.321   30.887    263.234   32.261    43.289  2.6770  44.121  2.7434  -0.8320541     3.833103 
1 1 1 -14 -19 13 o 39.947  1.9116  216.038   20.315    219.809   28.302    212.030   29.177    40.318  2.6353  39.575  2.7700  0.7430840      3.823298 
1 1 1 -14 -19 14 o 108.217 2.4829  1583.92   71.963    1589.34   101.234   1578.38   102.315   108.411 3.4863  108.022 3.5362  0.3895416      4.965788 
1 1 1 -14 -19 15 o 52.916  2.4339  377.082   32.163    389.194   56.628    371.314   39.077    53.418  3.9865  52.415  2.7935  1.003536       4.867895 
1 1 1 -14 -19 16 o 65.777  3.8054  588.431   66.759    0.0000    0.0000    588.431   66.759    ?       ?       65.777  3.8054  ?              ?        
1 1 1 -14 -19 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -19 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -19 19 o 140.340 3.7532  2689.51   131.666   2654.60   159.442   2764.35   233.460   139.574 4.2649  141.106 6.1770  -1.531601      7.506305 
1 1 1 -14 -19 20 o 93.201  2.3265  1176.24   58.067    1150.72   82.189    1201.68   82.048    92.180  3.3288  94.223  3.2511  -2.043129      4.653013 
1 1 1 -14 -19 21 o 86.108  2.2047  1003.27   50.849    1012.51   72.130    994.131   71.695    86.504  3.1131  85.713  3.1229  0.7915802      4.409464 
1 1 1 -14 -19 22 o 27.033  2.1789  99.744    15.462    107.113   22.760    93.428    21.070    27.966  3.0900  26.100  3.0729  1.866228       4.357820 
1 1 1 -14 -19 23 o 28.743  2.1546  112.909   16.307    115.776   23.884    110.405   22.319    29.074  3.1155  28.412  2.9770  0.6620369      4.309184 
1 1 1 -14 -19 24 o 47.236  1.9601  302.554   24.683    309.045   35.446    296.444   34.391    47.727  2.7849  46.746  2.7589  0.9808388      3.920118 
1 1 1 -14 -19 25 o 53.373  2.0019  386.224   28.501    401.589   41.069    371.949   39.585    54.399  2.8284  52.347  2.8338  2.052731       4.003767 
1 1 1 -14 -19 26 o 19.755  2.7908  55.312    14.190    53.975    21.098    56.417    19.175    19.483  4.1689  20.026  3.7114  -0.5435543     5.581622 
1 1 1 -14 -19 27 o 29.244  2.2389  117.940   17.192    110.176   24.710    125.224   23.934    28.259  3.3285  30.229  2.9954  -1.970642      4.477859 
1 1 1 -14 -19 28 o 29.250  2.2534  118.139   17.310    111.131   24.903    124.690   24.077    28.359  3.3426  30.141  3.0231  -1.781656      4.506891 
1 1 1 -14 -19 29 o 22.516  2.5944  71.151    15.098    72.815    21.824    69.623    20.908    22.763  3.7070  22.268  3.6306  0.4950981      5.188701 
1 1 1 -14 -19 30 o 42.153  2.1316  242.824   23.823    271.773   34.601    216.730   32.850    44.578  2.9139  39.728  3.1119  4.849949       4.263184 
1 1 1 -14 -19 31 o 26.986  2.6209  102.411   18.025    129.475   26.195    78.074    24.840    30.574  3.2485  23.398  4.1139  7.175959       5.241824 
1 1 1 -14 -19 32 o 35.978  2.2963  181.447   21.530    150.930   30.994    209.904   29.929    32.871  3.5780  39.085  2.8792  -6.214012      4.592555 
1 1 1 -14 -19 33 o 26.955  2.6357  102.794   18.517    104.280   26.110    101.290   26.264    27.171  3.6826  26.740  3.7718  0.4315586      5.271383 
1 1 1 -14 -19 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -19 35 o 11.997  3.1451  11.566    15.058    -8.1178   21.107    31.970    21.490    9.1151  4.1054  14.879  4.7657  -5.763610      6.290160 
1 1 1 -14 -19 36 o 27.418  2.7788  109.281   19.633    123.715   27.636    94.571    27.898    29.453  3.5764  25.383  4.2539  4.070728       5.557549 
1 1 1 -14 -19 37 o 19.713  3.5691  60.135    18.921    60.653    27.147    59.646    26.385    19.776  5.0938  19.649  5.0008  0.1271877      7.138239 
1 1 1 -14 -19 38 o 19.594  3.4339  61.914    19.614    91.100    26.651    27.431    28.969    24.772  4.1645  14.416  5.4610  10.35516       6.867708 
1 1 1 -14 -19 39 o 18.268  3.7455  52.529    19.757    39.673    27.250    66.777    28.687    16.036  5.3798  20.500  5.2127  -4.463894      7.490981 
1 1 1 -14 -19 40 o 13.011  3.5711  19.935    18.307    29.155    24.773    8.8420    27.173    14.210  5.1078  11.811  4.9921  2.399246       7.142208 
1 1 1 -14 -19 41 o 26.311  3.4954  109.213   23.578    83.284    32.810    136.904   33.906    22.550  5.4848  30.072  4.3347  -7.521944      6.990896 
1 1 1 -14 -19 42 o 24.790  3.7802  101.666   24.431    84.623    34.961    117.933   34.156    22.269  5.8027  27.311  4.8466  -5.042448      7.560486 
1 1 1 -14 -19 43 o 21.406  3.7109  80.564    22.930    114.887   31.441    41.568    33.513    27.005  4.5056  15.806  5.8976  11.19838       7.421715 
1 1 1 -14 -19 44 f 10.828  4.7042  6.5889    25.382    6.5889    25.382    0.0000    0.0000    10.828  4.7042  ?       ?       ?              ?        
1 1 1 -14 -18 1  o 60.423  1.9554  492.221   31.646    490.837   44.879    493.589   44.629    60.337  2.7770  60.509  2.7537  -0.1722794     3.910784 
1 1 1 -14 -18 2  o 20.848  2.4579  63.056    12.702    38.465    18.209    86.365    17.728    16.513  4.1281  25.182  2.6689  -8.669479      4.915728 
1 1 1 -14 -18 3  o 36.452  1.9261  180.362   18.578    200.950   26.384    160.116   26.163    38.553  2.5697  34.350  2.8699  4.203072       3.852245 
1 1 1 -14 -18 4  o 30.078  1.9910  123.018   15.824    114.793   22.334    131.310   22.424    29.045  2.9099  31.112  2.7181  -2.067286      3.981968 
1 1 1 -14 -18 5  o 36.135  1.9203  176.768   18.444    181.772   26.114    171.787   26.055    36.653  2.6785  35.616  2.7526  1.036854       3.840674 
1 1 1 -14 -18 6  o 54.978  1.9212  406.821   28.290    410.534   39.921    403.076   40.094    55.232  2.6985  54.725  2.7354  0.5076408      3.842411 
1 1 1 -14 -18 7  o 106.867 2.4894  1541.85   71.228    1599.11   101.067   1485.35   100.400   108.852 3.4665  104.883 3.5739  3.968620       4.978850 
1 1 1 -14 -18 8  o 22.435  2.4503  69.744    14.133    59.035    19.854    80.744    20.123    20.595  3.7368  24.276  3.1704  -3.681335      4.900548 
1 1 1 -14 -18 9  o 126.547 2.7674  2164.93   93.793    2201.13   132.699   2128.79   132.588   127.614 3.8822  125.480 3.9449  2.133385       5.534821 
1 1 1 -14 -18 10 o 123.459 2.6967  2059.30   89.167    2023.35   125.883   2095.51   126.321   122.370 3.8407  124.549 3.7866  -2.178589      5.393399 
1 1 1 -14 -18 11 o 67.523  2.0007  613.420   36.180    603.754   50.710    623.441   51.634    66.982  2.8265  68.064  2.8322  -1.082642      4.001318 
1 1 1 -14 -18 12 o 83.109  2.1634  930.580   48.142    944.676   67.514    916.000   68.665    83.757  3.0094  82.461  3.1088  1.296204       4.326850 
1 1 1 -14 -18 13 o 64.950  1.9526  568.086   33.940    583.626   47.466    551.829   48.548    65.868  2.6904  64.033  2.8306  1.834618       3.905231 
1 1 1 -14 -18 14 o 92.718  2.2751  1159.56   56.464    1190.10   79.164    1127.94   80.559    93.975  3.1451  91.461  3.2884  2.513214       4.550282 
1 1 1 -14 -18 15 o 16.637  2.6099  39.201    11.611    23.079    16.262    55.970    16.584    13.137  4.1390  20.136  3.1805  -6.998780      5.219882 
1 1 1 -14 -18 16 o 106.559 2.4759  1533.28   70.666    1528.91   99.545    1537.73   100.332   106.407 3.4927  106.710 3.5103  -0.3021088     4.951891 
1 1 1 -14 -18 17 o 44.255  1.8769  264.695   22.132    272.188   31.091    256.998   31.512    44.901  2.5962  43.610  2.7112  1.291279       3.753781 
1 1 1 -14 -18 18 o 134.554 2.8768  2455.47   103.632   2538.38   146.541   2372.51   146.576   136.855 3.9977  132.253 4.1378  4.602814       5.753512 
1 1 1 -14 -18 19 o 77.478  2.1117  809.736   43.816    796.927   62.088    822.445   61.844    76.862  3.0158  78.094  2.9566  -1.231796      4.223325 
1 1 1 -14 -18 20 o 76.931  3.9726  805.294   81.580    0.0000    0.0000    805.294   81.580    ?       ?       76.931  3.9726  ?              ?        
1 1 1 -14 -18 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -18 22 o 135.933 3.6588  2518.67   124.634   2480.99   151.183   2598.59   220.193   134.960 4.1822  136.907 6.0047  -1.946655      7.317599 
1 1 1 -14 -18 23 o 44.447  1.9381  267.514   22.955    273.796   32.921    261.570   32.024    44.955  2.7472  43.939  2.7346  1.016319       3.876234 
1 1 1 -14 -18 24 o 69.144  2.0524  646.198   38.002    652.935   54.442    639.796   53.070    69.490  2.9250  68.798  2.8800  0.6927414      4.104850 
1 1 1 -14 -18 25 o 23.471  2.5758  78.449    14.770    118.488   21.612    43.361    20.232    29.482  2.7693  17.459  4.3440  12.02302       5.151601 
1 1 1 -14 -18 26 o 9.6714  2.6211  2.4381    11.060    -15.5381  15.840    19.538    15.450    7.1130  3.3289  12.230  4.0495  -5.116717      5.242137 
1 1 1 -14 -18 27 o 54.114  1.9973  397.608   28.844    378.144   41.148    416.411   40.445    52.749  2.9238  55.479  2.7217  -2.729523      3.994557 
1 1 1 -14 -18 28 o 49.482  2.0201  332.711   26.650    343.649   38.293    322.439   37.111    50.273  2.8556  48.691  2.8581  1.581711       4.040156 
1 1 1 -14 -18 29 o 31.394  2.2987  135.010   18.941    154.863   27.728    117.642   25.935    33.604  3.1161  29.185  3.3803  4.419464       4.597413 
1 1 1 -14 -18 30 o 31.536  2.2722  137.707   18.767    120.633   26.727    154.311   26.357    29.514  3.4458  33.558  2.9628  -4.043873      4.544428 
1 1 1 -14 -18 31 o 45.700  2.1304  285.836   25.881    309.489   37.030    263.250   36.186    47.585  2.9194  43.814  3.1035  3.770943       4.260828 
1 1 1 -14 -18 32 o 34.010  2.3037  160.178   20.666    147.366   29.246    172.954   29.205    32.591  3.4003  35.429  3.1090  -2.838058      4.607391 
1 1 1 -14 -18 33 o 26.289  2.7161  98.205    18.446    107.598   25.781    88.352    26.404    27.702  3.5566  24.875  4.1061  2.827038       5.432294 
1 1 1 -14 -18 34 o 41.460  2.2828  238.407   25.143    233.738   35.707    242.999   35.410    41.035  3.2760  41.886  3.1799  -0.8517189     4.565539 
1 1 1 -14 -18 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -18 36 f 9.6745  2.9675  -1.4834   14.362    -7.2831   19.988    4.7069    20.650    8.9181  4.0079  10.431  4.3772  -1.512798      5.934965 
1 1 1 -14 -18 37 o 40.816  2.4682  235.989   26.688    221.619   37.489    250.753   38.000    39.490  3.5834  42.143  3.3952  -2.653389      4.936357 
1 1 1 -14 -18 38 o 23.087  3.2599  80.509    19.441    63.048    26.824    99.830    28.217    20.179  4.9907  25.995  4.1954  -5.816362      6.519857 
1 1 1 -14 -18 39 o 16.338  3.2953  35.958    17.990    3.2755    24.734    72.672    26.215    10.884  4.6861  21.791  4.6341  -10.90613      6.590530 
1 1 1 -14 -18 40 o 11.518  3.3588  10.549    16.738    8.6011    22.835    12.810    24.605    11.118  4.6295  11.918  4.8678  -0.7999926     6.717663 
1 1 1 -14 -18 41 o 16.323  3.8493  42.185    20.112    50.505    27.337    32.369    29.694    17.703  5.3289  14.943  5.5562  2.759248       7.698552 
1 1 1 -14 -18 42 o 15.268  3.7070  31.345    20.422    5.1784    28.178    60.298    29.640    11.476  4.9710  19.060  5.5005  -7.584120      7.413934 
1 1 1 -14 -18 43 o 15.106  3.7075  31.755    21.381    61.316    29.255    -2.1446   31.328    19.034  5.4564  11.178  5.0210  7.856844       7.414984 
1 1 1 -14 -18 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -17 1  o 91.755  2.2944  1136.38   56.346    1093.88   80.063    1178.09   79.314    90.038  3.3198  93.471  3.1680  -3.432869      4.588816 
1 1 1 -14 -17 2  o 63.992  1.9971  551.297   34.225    541.675   48.556    560.797   48.247    63.433  2.8579  64.551  2.7905  -1.117657      3.994256 
1 1 1 -14 -17 3  o 59.132  1.9472  470.462   30.818    493.936   43.778    447.402   43.390    60.600  2.6971  57.665  2.8093  2.935658       3.894401 
1 1 1 -14 -17 4  o 50.461  1.8926  343.360   25.486    340.177   36.211    346.484   35.877    50.225  2.7016  50.696  2.6513  -0.4712486     3.785259 
1 1 1 -14 -17 5  o 66.144  1.9874  588.487   35.200    572.459   49.801    604.489   49.760    65.240  2.8499  67.048  2.7708  -1.808189      3.974874 
1 1 1 -14 -17 6  o 127.641 2.7621  2198.68   94.429    2222.30   134.018   2175.38   133.073   128.323 3.8991  126.958 3.9133  1.365372       5.524218 
1 1 1 -14 -17 7  o 96.378  2.3385  1250.65   60.368    1245.71   85.369    1255.58   85.378    96.187  3.3136  96.569  3.3008  -0.3822403     4.677074 
1 1 1 -14 -17 8  o 78.470  2.0976  828.076   44.087    820.665   62.151    835.582   62.549    78.116  2.9704  78.824  2.9626  -0.7076416     4.195280 
1 1 1 -14 -17 9  o 25.556  2.1504  89.075    14.425    86.304    20.339    91.879    20.462    25.143  3.0848  25.968  2.9969  -0.8241844     4.300866 
1 1 1 -14 -17 10 o 84.239  2.1494  954.313   48.495    942.201   68.136    966.749   69.037    83.697  3.0393  84.780  3.0402  -1.083199      4.298882 
1 1 1 -14 -17 11 o 42.454  1.9061  243.454   21.520    248.570   29.723    237.818   31.198    42.937  2.5967  41.972  2.7910  0.9646797      3.812168 
1 1 1 -14 -17 12 o 68.717  1.9802  634.652   36.441    630.487   51.023    638.989   52.065    68.489  2.7813  68.946  2.8193  -0.4567947     3.960366 
1 1 1 -14 -17 13 o 110.516 2.5132  1645.39   74.388    1614.06   104.569   1677.49   105.845   109.448 3.5670  111.583 3.5415  -2.134491      5.026488 
1 1 1 -14 -17 14 o 114.999 2.5563  1782.97   78.720    1815.05   110.815   1750.30   111.847   116.054 3.5649  113.945 3.6647  2.109016       5.112620 
1 1 1 -14 -17 15 o 61.502  1.9426  508.599   31.993    512.576   44.872    504.487   45.627    61.750  2.7130  61.255  2.7810  0.4950523      3.885143 
1 1 1 -14 -17 16 o 110.325 2.5113  1641.14   74.207    1652.97   104.692   1629.19   105.199   110.729 3.5299  109.921 3.5731  0.8082123      5.022661 
1 1 1 -14 -17 17 f 87.143  2.1728  1022.41   50.713    1010.82   71.580    1034.10   71.858    86.645  3.0843  87.641  3.0611  -0.9954529     4.345524 
1 1 1 -14 -17 18 o 97.410  2.3535  1279.61   61.371    1228.85   86.708    1330.56   86.877    95.461  3.3911  99.358  3.2645  -3.896889      4.707056 
1 1 1 -14 -17 19 o 58.195  1.9042  455.626   29.680    464.138   42.205    447.299   41.746    58.734  2.6828  57.657  2.7032  1.077351       3.808475 
1 1 1 -14 -17 20 o 62.474  1.9633  525.431   32.850    531.169   46.882    519.896   46.044    62.808  2.7868  62.140  2.7663  0.6676216      3.926665 
1 1 1 -14 -17 21 o 9.0946  2.5003  1.8774    10.170    -16.0951  15.319    16.043    13.600    6.9210  3.2500  11.268  3.8005  -4.347164      5.000672 
1 1 1 -14 -17 22 o 44.693  1.9021  269.388   22.636    286.969   32.951    253.677   31.148    46.077  2.6815  43.310  2.6985  2.766983       3.804259 
1 1 1 -14 -17 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -17 24 o 47.690  2.5373  307.081   29.565    302.451   35.342    317.873   53.958    47.258  2.8046  48.121  4.2292  -0.8629265     5.074647 
1 1 1 -14 -17 25 o 70.848  2.0851  678.636   39.555    672.225   56.493    684.802   55.401    70.510  2.9912  71.186  2.9056  -0.6756973     4.170123 
1 1 1 -14 -17 26 o 15.557  2.9401  33.550    13.039    48.107    18.759    19.946    18.136    18.452  3.9168  12.663  4.3857  5.788114       5.880120 
1 1 1 -14 -17 27 o 28.997  2.2299  115.554   16.977    111.649   24.769    119.014   23.315    28.495  3.3068  29.498  2.9923  -1.003572      4.459701 
1 1 1 -14 -17 28 o 91.558  2.3727  1140.06   58.172    1116.25   82.529    1163.58   82.009    90.589  3.4013  92.527  3.3090  -1.938522      4.745366 
1 1 1 -14 -17 29 o 63.729  2.1026  552.101   35.815    518.817   51.143    584.131   50.171    61.808  3.0892  65.651  2.8531  -3.842110      4.205206 
1 1 1 -14 -17 30 o 53.801  2.0638  394.088   29.569    426.784   42.240    362.668   41.408    56.023  2.8240  51.578  3.0103  4.444996       4.127580 
1 1 1 -14 -17 31 o 24.618  2.7236  85.974    16.967    110.206   24.354    63.123    23.650    28.237  3.2813  20.999  4.3480  7.238142       5.447229 
1 1 1 -14 -17 32 o 59.228  2.1613  479.226   34.187    506.281   48.677    452.889   48.025    60.944  2.9819  57.511  3.1294  3.433659       4.322656 
1 1 1 -14 -17 33 o 25.241  2.8380  91.365    18.305    105.835   25.494    75.970    26.298    27.517  3.5412  22.965  4.4360  4.552269       5.676075 
1 1 1 -14 -17 34 o 45.242  2.2717  282.046   27.302    305.702   39.587    260.590   37.702    47.078  3.1577  43.406  3.2668  3.672642       4.543456 
1 1 1 -14 -17 35 o 41.175  2.3374  235.703   25.534    248.956   36.327    222.762   35.898    42.361  3.2259  39.989  3.3832  2.372185       4.674713 
1 1 1 -14 -17 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -17 37 o 11.066  3.1266  7.8413    14.558    -3.2640   19.951    20.488    21.291    9.3182  4.1062  12.814  4.7160  -3.496167      6.253102 
1 1 1 -14 -17 38 o 32.246  2.7804  150.701   23.411    137.094   33.116    164.294   33.100    30.645  4.1405  33.847  3.7119  -3.202038      5.560713 
1 1 1 -14 -17 39 o 19.595  3.2210  60.892    19.628    105.274   26.894    10.317    28.710    26.863  3.8477  12.328  5.1666  14.53507       6.441966 
1 1 1 -14 -17 40 o 14.220  3.5651  27.581    18.272    42.685    24.567    8.8832    27.334    16.543  5.0672  11.897  5.0164  4.645993       7.130272 
1 1 1 -14 -17 41 o 15.434  3.8673  35.434    20.189    27.492    27.912    44.147    29.237    14.188  5.3638  16.679  5.5726  -2.490993      7.734647 
1 1 1 -14 -17 42 o 10.539  3.2913  -0.5960   18.069    0.4484    23.802    -2.0162   27.756    10.304  4.5142  10.775  4.7908  -0.4714546     6.582511 
1 1 1 -14 -17 43 o 29.812  3.3673  140.562   25.466    171.092   36.019    110.046   36.010    33.705  4.0723  25.919  5.3637  7.785599       6.734506 
1 1 1 -14 -17 44 o 16.481  4.0551  46.387    21.928    42.140    30.090    51.198    32.023    15.846  5.6364  17.117  5.8315  -1.271588      8.110170 
1 1 1 -14 -17 45 o 5.6589  2.0530  -42.5984  10.926    -42.3780  23.990    -42.6561  12.273    7.1273  3.5138  4.1905  2.1244  2.936851       4.106044 
1 1 1 -14 -16 1  o 88.904  2.2112  1064.22   52.639    1041.15   74.786    1086.87   74.105    87.942  3.1749  89.867  3.0786  -1.924438      4.422459 
1 1 1 -14 -16 2  o 103.570 2.4559  1444.78   68.125    1462.29   96.847    1427.62   95.847    104.192 3.4703  102.949 3.4759  1.243385       4.911712 
1 1 1 -14 -16 3  o 146.596 3.1048  2903.08   121.906   2896.64   173.031   2909.43   171.779   146.429 4.4117  146.764 4.3698  -0.3348541     6.209548 
1 1 1 -14 -16 4  o 61.986  1.9638  516.228   32.601    526.407   46.286    506.206   45.927    62.594  2.7607  61.378  2.7936  1.215153       3.927588 
1 1 1 -14 -16 5  o 59.902  1.9459  482.215   31.202    502.400   44.155    462.084   44.098    61.159  2.6955  58.646  2.8073  2.512474       3.891884 
1 1 1 -14 -16 6  o 56.937  1.9272  435.429   29.385    423.311   41.425    447.701   41.689    56.138  2.7549  57.737  2.6957  -1.598232      3.854432 
1 1 1 -14 -16 7  o 110.035 2.5032  1629.30   73.770    1654.36   104.307   1604.22   104.344   110.886 3.5120  109.185 3.5680  1.701241       5.006411 
1 1 1 -14 -16 8  o 60.684  1.9710  494.552   32.029    492.302   44.764    496.911   45.847    60.545  2.7603  60.824  2.8141  -0.2793846     3.941931 
1 1 1 -14 -16 9  o 116.064 2.5693  1812.71   79.873    1796.79   112.619   1828.83   113.298   115.551 3.6387  116.578 3.6284  -1.027359      5.138650 
1 1 1 -14 -16 10 o 113.656 2.5478  1738.11   77.559    1732.87   109.253   1743.43   110.121   113.484 3.5942  113.827 3.6119  -0.3425293     5.095543 
1 1 1 -14 -16 11 o 60.832  1.9152  497.426   31.165    509.188   43.306    484.791   44.883    61.583  2.6254  60.080  2.7891  1.503147       3.830368 
1 1 1 -14 -16 12 o 69.913  1.9944  657.344   37.302    683.490   52.223    630.112   53.298    71.341  2.7330  68.486  2.9055  2.854630       3.988894 
1 1 1 -14 -16 13 o 103.808 2.4083  1450.04   66.939    1480.68   94.128    1418.70   95.213    104.925 3.3493  102.691 3.4616  2.234116       4.816646 
1 1 1 -14 -16 14 o 80.802  2.0990  877.516   45.418    884.185   63.734    870.634   64.741    81.117  2.9334  80.487  3.0031  0.6305161      4.197978 
1 1 1 -14 -16 15 o 79.352  2.0781  846.386   44.162    857.581   62.194    835.000   62.719    79.885  2.9067  78.820  2.9708  1.064758       4.156229 
1 1 1 -14 -16 16 f 86.058  2.1505  995.948   49.554    1024.41   70.084    967.489   70.077    87.293  2.9974  84.823  3.0844  2.469528       4.300946 
1 1 1 -14 -16 17 o 125.977 2.7395  2139.82   92.437    2146.50   130.743   2133.16   130.709   126.174 3.8686  125.779 3.8798  0.3951874      5.478972 
1 1 1 -14 -16 18 o 87.084  2.2037  1020.33   51.398    1037.11   72.984    1003.81   72.394    87.796  3.1036  86.372  3.1292  1.424309       4.407304 
1 1 1 -14 -16 19 o 89.343  2.2420  1074.69   53.644    1068.82   76.393    1080.41   75.346    89.098  3.2011  89.589  3.1399  -0.4906769     4.483971 
1 1 1 -14 -16 20 o 85.169  2.1965  976.835   50.101    972.725   71.393    980.823   70.326    84.988  3.1362  85.350  3.0762  -0.3619843     4.393094 
1 1 1 -14 -16 21 o 102.402 2.4035  1414.77   65.907    1394.72   93.855    1434.26   92.571    101.676 3.4463  103.128 3.3513  -1.451599      4.807065 
1 1 1 -14 -16 22 o 40.871  1.9039  225.887   20.693    223.845   30.031    227.733   28.554    40.683  2.7725  41.059  2.6100  -0.3760490     3.807716 
1 1 1 -14 -16 23 o 75.215  2.0884  762.813   42.056    758.055   60.228    767.342   58.753    74.978  2.9990  75.452  2.9072  -0.4734192     4.176769 
1 1 1 -14 -16 24 o 43.975  2.6609  261.470   31.195    0.0000    0.0000    261.470   31.195    ?       ?       43.975  2.6609  ?              ?        
1 1 1 -14 -16 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -16 26 o 23.980  2.5125  79.425    15.210    106.751   22.503    56.440    20.638    27.936  3.0573  20.024  3.9879  7.911303       5.024947 
1 1 1 -14 -16 27 o 76.842  2.1629  799.264   44.513    799.400   63.314    799.132   62.594    76.844  3.0761  76.841  3.0413  0.3593445E-02  4.325709 
1 1 1 -14 -16 28 f 33.379  2.2373  155.162   19.245    120.296   27.583    188.234   26.864    29.535  3.5583  37.223  2.7131  -7.688120      4.474676 
1 1 1 -14 -16 29 o 48.304  2.0546  317.123   26.453    326.316   37.598    308.111   37.225    49.006  2.8769  47.601  2.9339  1.405041       4.109110 
1 1 1 -14 -16 30 o 13.632  3.0205  23.596    13.431    39.172    18.746    7.1689    19.252    16.572  4.2137  10.693  4.3286  5.879377       6.040911 
1 1 1 -14 -16 31 o 36.977  2.2569  187.218   21.857    226.188   31.806    152.346   30.087    40.710  2.9366  33.244  3.4281  7.465439       4.513877 
1 1 1 -14 -16 32 o 79.016  2.3064  852.239   48.809    865.367   69.490    839.456   68.573    79.618  3.2585  78.414  3.2649  1.203911       4.612751 
1 1 1 -14 -16 33 o 26.890  2.6653  101.506   18.643    96.449    26.461    106.489   26.270    26.174  3.8930  27.606  3.6416  -1.432388      5.330679 
1 1 1 -14 -16 34 o 42.154  2.3540  246.742   26.045    290.059   37.091    204.612   36.580    45.953  3.0305  38.355  3.6029  7.598274       4.707973 
1 1 1 -14 -16 35 o 89.411  2.5031  1107.38   59.851    1180.77   84.866    1034.77   84.419    92.451  3.4271  86.370  3.6491  6.080719       5.006135 
1 1 1 -14 -16 36 o 14.532  3.2430  23.124    17.186    54.835    24.269    -8.7742   24.341    19.220  4.7432  9.8446  4.4237  9.375190       6.485933 
1 1 1 -14 -16 37 o 13.722  4.9951  24.121    23.793    24.121    23.793    0.0000    0.0000    13.722  4.9951  ?       ?       ?              ?        
1 1 1 -14 -16 38 o 14.698  3.5235  29.638    17.791    44.896    23.925    10.766    26.608    17.204  4.9352  12.192  5.0302  5.012063       7.046947 
1 1 1 -14 -16 39 o 36.859  2.6850  195.687   26.115    187.711   36.533    204.021   37.345    36.055  3.8421  37.664  3.7518  -1.608311      5.370082 
1 1 1 -14 -16 40 o 28.049  3.1563  118.901   22.724    131.380   31.512    105.381   32.800    29.884  4.0405  26.214  4.8501  3.669668       6.312618 
1 1 1 -14 -16 41 o 17.983  3.7719  50.758    20.167    34.033    27.812    69.302    29.286    15.146  5.4155  20.821  5.2519  -5.674298      7.543861 
1 1 1 -14 -16 42 o 10.736  3.2582  0.3724    17.825    16.315    24.190    -18.5672  26.366    12.257  4.8903  9.2149  4.3069  3.042218       6.516445 
1 1 1 -14 -16 43 o 14.373  3.8335  29.759    20.178    32.376    27.922    26.899    29.193    14.704  5.4023  14.042  5.4405  0.6625280      7.667079 
1 1 1 -14 -16 44 o 22.918  3.1951  76.332    17.913    104.983   32.309    63.615    21.525    25.547  4.8998  20.288  4.1021  5.259214       6.390252 
1 1 1 -14 -16 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -15 1  o 78.782  2.1355  834.768   45.026    798.117   63.819    871.093   63.534    77.052  3.0922  80.512  2.9462  -3.459587      4.271060 
1 1 1 -14 -15 2  o 94.466  2.3138  1200.47   58.512    1161.92   83.114    1238.35   82.389    92.954  3.3382  95.978  3.2048  -3.024040      4.627613 
1 1 1 -14 -15 3  o 61.206  1.9365  503.364   31.716    478.832   44.911    527.768   44.795    59.713  2.8080  62.698  2.6673  -2.985458      3.872936 
1 1 1 -14 -15 4  o 81.709  2.1399  896.800   46.833    902.778   66.391    890.879   66.074    81.980  3.0235  81.437  3.0291  0.5425262      4.279860 
1 1 1 -14 -15 5  o 19.747  2.4742  54.413    12.473    68.316    17.847    41.136    17.440    22.346  3.0623  17.147  3.8870  5.199093       4.948323 
1 1 1 -14 -15 6  o 140.774 2.9192  2667.86   110.060   2720.72   155.955   2615.41   155.342   142.169 4.0955  139.379 4.1610  2.789993       5.838442 
1 1 1 -14 -15 7  o 181.275 3.6200  4435.82   175.710   4571.76   248.737   4300.43   248.247   184.067 5.0451  178.482 5.1928  5.585403       7.240073 
1 1 1 -14 -15 8  f 87.519  2.1954  1028.47   51.434    981.433   72.162    1077.04   73.329    85.482  3.1517  89.556  3.0570  -4.074547      4.390725 
1 1 1 -14 -15 9  o 163.320 3.2870  3594.83   143.774   3648.72   203.088   3540.69   203.568   164.556 4.6077  162.084 4.6890  2.471832       6.573997 
1 1 1 -14 -15 10 o 147.561 3.0330  2931.90   119.863   2967.37   169.063   2896.04   169.965   148.466 4.2514  146.657 4.3268  1.808960       6.065944 
1 1 1 -14 -15 11 o 79.679  2.0705  852.457   44.171    855.242   61.635    849.517   63.333    79.816  2.8830  79.542  2.9726  0.2736511      4.141057 
1 1 1 -14 -15 12 o 43.197  1.8594  251.014   21.396    242.848   29.594    259.957   30.971    42.460  2.6148  43.933  2.6442  -1.472942      3.718785 
1 1 1 -14 -15 13 o 39.778  1.8635  213.119   19.733    204.399   27.520    222.346   28.309    38.935  2.6547  40.620  2.6159  -1.684692      3.726978 
1 1 1 -14 -15 14 o 105.164 2.4085  1486.64   67.838    1495.80   95.554    1477.34   96.325    105.493 3.3817  104.835 3.4304  0.6583786      4.816989 
1 1 1 -14 -15 15 o 103.879 2.3773  1450.52   66.145    1438.25   93.338    1462.90   93.748    103.437 3.3689  104.322 3.3551  -0.8842392     4.754601 
1 1 1 -14 -15 16 o 66.714  1.9705  597.757   35.204    583.966   49.786    611.548   49.786    65.943  2.8187  67.486  2.7542  -1.543533      3.940947 
1 1 1 -14 -15 17 o 95.736  2.2735  1232.55   58.275    1196.12   82.563    1268.71   82.265    94.320  3.2681  97.153  3.1614  -2.832405      4.546903 
1 1 1 -14 -15 18 o 202.723 4.0526  5575.23   220.048   5559.49   311.571   5590.89   310.819   202.431 5.7463  203.016 5.7160  -0.5846405     8.105103 
1 1 1 -14 -15 19 o 48.116  1.9140  311.665   24.552    321.477   35.485    302.654   34.006    48.842  2.7233  47.389  2.6901  1.452221       3.827944 
1 1 1 -14 -15 20 o 157.910 3.2547  3372.29   137.652   3430.62   195.405   3314.83   193.941   159.273 4.5804  156.547 4.6253  2.726059       6.509459 
1 1 1 -14 -15 21 o 111.327 2.5375  1670.57   75.661    1692.12   107.765   1649.61   106.252   112.035 3.5912  110.619 3.5860  1.415298       5.075058 
1 1 1 -14 -15 22 o 48.652  1.8984  319.148   24.625    322.052   35.567    316.474   34.127    48.859  2.7287  48.444  2.6400  0.4149055      3.796787 
1 1 1 -14 -15 23 o 102.823 2.4427  1426.72   67.269    1426.50   95.742    1426.94   94.535    102.810 3.4768  102.836 3.4321  -0.2619171E-01 4.885412 
1 1 1 -14 -15 24 o 39.265  1.9742  208.860   20.581    205.499   29.974    211.858   28.309    38.949  2.8938  39.581  2.6861  -0.6317291     3.948328 
1 1 1 -14 -15 25 o 50.090  1.9656  339.316   26.233    335.913   37.995    342.416   36.264    49.836  2.8583  50.344  2.6991  -0.5082550     3.931299 
1 1 1 -14 -15 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -15 27 f 76.588  2.1666  792.966   44.440    807.303   63.437    779.149   62.275    77.268  3.0652  75.909  3.0629  1.358749       4.333211 
1 1 1 -14 -15 28 o 43.669  2.0778  259.144   24.148    255.368   34.568    262.743   33.747    43.345  2.9959  43.993  2.8798  -0.6485901     4.155568 
1 1 1 -14 -15 29 o 16.132  3.1346  36.731    13.952    34.565    19.174    39.168    20.340    15.653  4.3935  16.611  4.4723  -0.9571772     6.269295 
1 1 1 -14 -15 30 o 26.091  2.6467  95.815    17.675    78.960    25.334    111.797   24.670    23.681  4.1451  28.500  3.2923  -4.819044      5.293452 
1 1 1 -14 -15 31 o 46.796  2.1614  299.568   26.836    273.004   38.232    325.368   37.679    44.692  3.2153  48.900  2.8895  -4.208221      4.322866 
1 1 1 -14 -15 32 o 57.711  2.1587  454.724   33.208    425.004   47.441    483.277   46.500    55.773  3.1890  59.649  2.9104  -3.875904      4.317413 
1 1 1 -14 -15 33 f 23.857  2.8418  81.351    17.346    91.545    23.910    70.025    25.203    25.607  3.5843  22.107  4.4109  3.499798       5.683565 
1 1 1 -14 -15 34 o 76.989  2.3652  812.891   48.770    824.782   69.134    801.111   68.810    77.558  3.3279  76.419  3.3617  1.139191       4.730367 
1 1 1 -14 -15 35 o 14.302  3.4674  27.334    15.991    29.433    21.203    24.564    24.353    14.570  4.7401  14.033  5.0620  0.5369434      6.934833 
1 1 1 -14 -15 36 o 57.542  2.3191  458.810   35.491    417.953   49.927    500.543   50.460    54.864  3.4144  60.220  3.1392  -5.355591      4.638190 
1 1 1 -14 -15 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -15 38 o 19.506  3.4641  57.120    18.077    50.093    24.520    65.485    26.755    18.195  4.9153  20.817  4.8828  -2.621965      6.928289 
1 1 1 -14 -15 39 o 41.157  2.5784  241.554   28.122    236.424   39.210    246.988   40.357    40.713  3.6338  41.601  3.6590  -0.8877487     5.156806 
1 1 1 -14 -15 40 o 22.904  3.5236  84.480    21.465    114.233   29.521    51.109    31.265    27.857  4.0772  17.951  5.7480  9.906015       7.047219 
1 1 1 -14 -15 41 o 14.790  3.3201  22.019    18.121    -11.0811  24.184    64.397    27.364    9.3824  4.2917  20.197  5.0668  -10.81460      6.640166 
1 1 1 -14 -15 42 o 8.2688  2.6515  -10.4434  11.130    5.7125    21.765    -16.1645  12.952    10.548  4.4635  5.9900  2.8634  4.557643       5.303049 
1 1 1 -14 -15 43 o 19.993  3.2976  56.473    16.387    84.398    29.941    44.531    19.580    23.030  4.9973  16.957  4.3037  6.073317       6.595102 
1 1 1 -14 -15 44 f 13.858  3.3432  30.287    15.164    16.140    27.869    36.236    18.073    12.496  5.1510  15.220  4.2633  -2.723633      6.686413 
1 1 1 -14 -15 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -14 1  o 57.133  1.9015  438.202   29.092    427.960   41.173    448.412   41.110    56.465  2.7224  57.801  2.6554  -1.336678      3.802933 
1 1 1 -14 -14 2  o 96.569  2.3408  1252.80   60.545    1263.11   86.028    1242.69   85.224    96.963  3.3124  96.176  3.3083  0.7866898      4.681562 
1 1 1 -14 -14 3  o 153.198 3.1534  3160.26   129.388   3137.91   183.521   3182.35   182.448   152.654 4.4884  153.742 4.4306  -1.088089      6.306764 
1 1 1 -14 -14 4  o 173.825 3.5085  4072.17   163.350   4084.48   231.560   4059.97   230.467   174.086 4.9661  173.564 4.9575  0.5211792      7.016998 
1 1 1 -14 -14 5  o 116.524 2.5737  1824.44   80.317    1862.31   113.792   1786.84   113.380   117.733 3.6085  115.316 3.6708  2.416443       5.147416 
1 1 1 -14 -14 6  o 135.445 2.8987  2466.90   105.152   2502.51   148.801   2431.37   148.614   136.425 4.0722  134.464 4.1263  1.960480       5.797327 
1 1 1 -14 -14 7  o 29.454  2.0804  117.508   16.116    103.883   22.395    132.142   23.210    27.651  3.0759  31.258  2.8019  -3.607355      4.160759 
1 1 1 -14 -14 8  o 53.879  1.8719  390.312   26.924    398.224   37.299    381.705   38.904    54.488  2.5557  53.271  2.7358  1.217854       3.743799 
1 1 1 -14 -14 9  o 39.176  1.8966  209.135   19.546    235.280   26.983    180.270   28.352    41.816  2.4194  36.536  2.9216  5.279984       3.793282 
1 1 1 -14 -14 10 o 35.846  1.8812  174.904   17.757    192.623   24.426    155.045   25.858    37.822  2.4239  33.871  2.8775  3.950764       3.762343 
1 1 1 -14 -14 11 o 155.588 3.1944  3257.66   133.117   3271.02   187.676   3244.14   188.841   155.913 4.4941  155.263 4.5409  0.6495972      6.388753 
1 1 1 -14 -14 12 o 163.611 3.2547  3603.50   142.620   3643.09   201.198   3563.51   202.197   164.521 4.5657  162.701 4.6397  1.820160       6.509475 
1 1 1 -14 -14 13 o 48.193  1.8428  312.791   23.674    323.415   33.152    301.736   33.818    49.038  2.5327  47.349  2.6775  1.688801       3.685552 
1 1 1 -14 -14 14 o 240.863 4.6075  7854.29   297.244   7913.69   420.186   7794.78   420.547   241.786 6.4882  239.941 6.5437  1.845490       9.214978 
1 1 1 -14 -14 15 o 54.442  1.8694  398.615   27.153    429.138   38.507    368.428   38.295    56.558  2.5419  52.326  2.7419  4.231789       3.738882 
1 1 1 -14 -14 16 o 111.036 2.4715  1656.86   73.500    1680.84   104.187   1633.10   103.705   111.838 3.4780  110.234 3.5123  1.603432       4.942992 
1 1 1 -14 -14 17 o 107.952 2.4373  1566.27   70.472    1577.90   100.134   1554.85   99.197    108.348 3.4504  107.555 3.4433  0.7935638      4.874616 
1 1 1 -14 -14 18 o 150.193 3.0875  3040.04   124.204   3036.95   176.262   3043.09   175.046   150.114 4.3838  150.273 4.3489  -0.1592560     6.175027 
1 1 1 -14 -14 19 o 94.614  2.2902  1203.12   58.033    1218.33   82.847    1188.47   81.317    95.200  3.2490  94.028  3.2288  1.171844       4.580492 
1 1 1 -14 -14 20 o 30.308  2.1697  124.067   16.697    171.296   24.930    85.644    22.486    35.619  2.6317  24.998  3.4503  10.62143       4.339399 
1 1 1 -14 -14 21 o 45.371  1.9104  278.473   23.020    263.382   33.456    292.041   31.724    44.180  2.8423  46.563  2.5534  -2.382984      3.820814 
1 1 1 -14 -14 22 o 53.594  1.9538  387.226   27.920    376.915   40.598    396.478   38.459    52.868  2.8778  54.319  2.6433  -1.450893      3.907566 
1 1 1 -14 -14 23 o 120.296 2.6852  1953.42   86.508    1932.74   122.953   1973.69   121.737   119.656 3.8363  120.936 3.7582  -1.280289      5.370396 
1 1 1 -14 -14 24 o 141.320 3.0501  2706.77   115.371   2596.99   163.494   2815.66   162.827   138.429 4.4095  144.212 4.2154  -5.783417      6.100234 
1 1 1 -14 -14 25 o 77.255  2.1491  804.239   44.463    819.816   63.552    789.303   62.229    77.987  3.0424  76.523  3.0361  1.464043       4.298158 
1 1 1 -14 -14 26 o 15.993  3.0761  35.909    13.526    35.632    18.987    36.194    19.273    15.932  4.3342  16.055  4.3663  -0.1229630     6.152226 
1 1 1 -14 -14 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -14 28 o 16.160  3.0623  36.765    13.550    33.056    18.825    40.754    19.519    15.361  4.3681  16.959  4.2931  -1.597440      6.124664 
1 1 1 -14 -14 29 o 31.436  2.2615  134.915   18.669    154.156   27.121    117.588   25.736    33.613  3.0455  29.258  3.3441  4.354286       4.523026 
1 1 1 -14 -14 30 o 44.635  2.1205  270.660   25.101    304.537   36.280    239.556   34.764    47.350  2.8742  41.920  3.1184  5.429970       4.240969 
1 1 1 -14 -14 31 o 66.242  2.2081  596.213   39.144    572.756   55.651    619.181   55.068    64.929  3.2000  67.555  3.0434  -2.626167      4.416120 
1 1 1 -14 -14 32 o 55.826  2.1662  425.423   32.193    389.748   45.866    460.065   45.198    53.422  3.2205  58.230  2.8979  -4.807617      4.332357 
1 1 1 -14 -14 33 o 12.332  3.1383  18.056    13.203    17.342    18.044    18.879    19.371    12.098  4.3582  12.567  4.5167  -0.4686184     6.276515 
1 1 1 -14 -14 34 o 25.443  2.7180  91.294    17.872    99.716    25.190    82.758    25.361    26.719  3.6124  24.167  4.0621  2.552130       5.436017 
1 1 1 -14 -14 35 o 58.011  2.2740  462.761   35.188    473.732   49.759    451.788   49.767    58.720  3.1755  57.303  3.2559  1.417038       4.548072 
1 1 1 -14 -14 36 o 10.653  2.9666  4.3156    14.026    21.933    19.084    -16.3788  20.683    12.970  4.4985  8.3360  3.8686  4.634212       5.933154 
1 1 1 -14 -14 37 o 50.410  2.3674  353.308   31.750    332.572   44.433    374.944   45.385    48.854  3.4171  51.965  3.2775  -3.111191      4.734786 
1 1 1 -14 -14 38 o 7.5523  3.6263  -28.4935  21.287    -28.4935  21.287    0.0000    0.0000    7.5523  3.6263  ?       ?       ?              ?        
1 1 1 -14 -14 39 o 25.962  3.3009  102.896   21.751    122.587   29.761    80.318    31.867    29.130  3.9133  22.795  5.3168  6.334209       6.601725 
1 1 1 -14 -14 40 o 24.549  3.5130  81.511    22.841    35.555    28.364    166.288   38.525    15.580  5.4797  33.517  4.3973  -17.93775      7.025915 
1 1 1 -14 -14 41 o 11.032  2.9263  13.637    12.721    -6.5503   22.367    23.289    15.465    9.4088  4.2330  12.654  4.0417  -3.245523      5.852680 
1 1 1 -14 -14 42 o 22.655  3.0083  74.238    16.773    89.166    29.335    66.988    20.444    24.015  4.7290  21.295  3.7197  2.719810       6.016580 
1 1 1 -14 -14 43 o 14.706  3.4271  29.868    14.648    44.444    26.904    23.727    17.464    16.649  5.3322  12.762  4.3066  3.887089       6.854200 
1 1 1 -14 -14 44 o 16.273  3.5442  39.311    15.662    53.057    29.658    33.995    18.443    17.778  5.5879  14.769  4.3612  3.009111       7.088322 
1 1 1 -14 -14 45 o 10.469  3.0940  9.3025    13.790    0.6692    26.411    12.538    16.168    10.568  4.6871  10.370  4.0402  0.1979313      6.188054 
1 1 1 -14 -14 46 o 13.722  3.6136  27.823    16.626    40.408    30.230    22.366    19.907    15.200  5.6151  12.245  4.5500  2.955017       7.227120 
1 1 1 -14 -13 1  o 176.564 3.5360  4202.83   167.099   4025.20   236.716   4379.25   235.912   172.819 5.1139  180.309 4.8848  -7.490067      7.071951 
1 1 1 -14 -13 2  o 135.133 2.8636  2454.69   103.647   2473.86   147.127   2435.80   146.038   135.657 4.0491  134.609 4.0504  1.047913       5.727265 
1 1 1 -14 -13 3  o 282.908 5.4041  10857.01  409.450   11078.68  579.924   10636.68  578.180   285.819 7.5752  279.997 7.7094  5.822052       10.80824 
1 1 1 -14 -13 4  o 52.731  1.8653  374.096   26.235    400.237   36.981    347.613   37.223    54.630  2.5273  50.832  2.7440  3.797920       3.730546 
1 1 1 -14 -13 5  o 72.105  2.0272  697.472   39.131    667.456   55.041    728.148   55.642    70.534  2.9134  73.675  2.8196  -3.141167      4.054406 
1 1 1 -14 -13 6  o 79.101  2.0728  839.863   43.893    863.435   61.717    815.738   62.437    80.227  2.8721  77.974  2.9895  2.252838       4.145594 
1 1 1 -14 -13 7  o 69.341  1.9891  645.185   36.917    651.475   51.395    638.480   53.062    69.693  2.7532  68.990  2.8715  0.7032013      3.978195 
1 1 1 -14 -13 8  o 145.996 3.0043  2864.81   117.479   2854.16   165.590   2875.60   166.697   145.723 4.2424  146.268 4.2549  -0.5446167     6.008538 
1 1 1 -14 -13 9  o 142.362 2.9572  2726.97   112.591   2890.32   158.843   2562.02   159.616   146.668 4.0434  138.056 4.3165  8.612137       5.914477 
1 1 1 -14 -13 10 o 46.401  1.8197  290.307   22.464    301.552   31.036    277.933   32.556    47.360  2.4551  45.443  2.6866  1.916309       3.639423 
1 1 1 -14 -13 11 o 54.645  1.8199  399.902   26.617    380.965   36.914    420.412   38.416    53.299  2.5858  55.991  2.5616  -2.692173      3.639744 
1 1 1 -14 -13 12 o 126.040 2.6802  2133.98   90.477    2148.14   127.479   2119.60   128.434   126.464 3.7634  125.616 3.8172  0.8481140      5.360452 
1 1 1 -14 -13 13 o 92.701  2.1981  1153.26   54.578    1155.92   76.956    1150.56   77.417    92.810  3.0957  92.593  3.1215  0.2170181      4.396288 
1 1 1 -14 -13 14 o 170.721 3.4136  3923.20   156.094   3913.52   220.757   3932.88   220.745   170.509 4.8337  170.932 4.8215  -0.4234314     6.827210 
1 1 1 -14 -13 15 o 102.754 2.3776  1417.79   65.431    1402.45   92.798    1432.95   92.270    102.199 3.3900  103.309 3.3345  -1.109596      4.755143 
1 1 1 -14 -13 16 o 193.287 3.7909  5037.80   196.253   5091.04   277.930   4984.87   277.159   194.310 5.3401  192.263 5.3820  2.047119       7.581730 
1 1 1 -14 -13 17 o 108.266 2.4664  1575.24   71.495    1539.05   101.652   1610.67   100.575   107.029 3.5459  109.503 3.4291  -2.473427      4.932738 
1 1 1 -14 -13 18 o 113.821 2.5533  1741.00   77.837    1762.65   110.924   1719.99   109.251   114.518 3.6163  113.125 3.6056  1.393074       5.106645 
1 1 1 -14 -13 19 o 145.238 3.0335  2840.58   118.005   2852.22   167.692   2829.17   166.088   145.530 4.3020  144.945 4.2780  0.5847778      6.067010 
1 1 1 -14 -13 20 o 94.997  2.2934  1212.42   58.345    1233.70   83.489    1192.11   81.569    95.810  3.2533  94.183  3.2334  1.626900       4.586841 
1 1 1 -14 -13 21 f 107.494 2.5019  1555.69   71.984    1508.61   102.600   1601.34   101.019   105.880 3.6178  109.108 3.4567  -3.228310      5.003709 
1 1 1 -14 -13 22 o 81.060  2.1498  882.793   46.645    928.786   66.795    839.015   65.168    83.124  3.0001  78.997  3.0799  4.127045       4.299528 
1 1 1 -14 -13 23 o 78.220  2.1217  822.631   44.442    831.047   63.670    814.634   62.062    78.607  3.0240  77.832  2.9770  0.7750549      4.243472 
1 1 1 -14 -13 24 o 39.973  2.0497  215.719   21.776    228.200   31.471    204.254   30.163    41.089  2.8777  38.857  2.9195  2.232151       4.099337 
1 1 1 -14 -13 25 o 55.581  2.0340  417.323   30.146    391.330   43.066    442.296   42.212    53.826  2.9990  57.336  2.7486  -3.510201      4.068072 
1 1 1 -14 -13 26 o 72.641  2.1467  712.312   41.699    670.987   59.304    752.720   58.643    70.538  3.1389  74.744  2.9292  -4.206055      4.293338 
1 1 1 -14 -13 27 o 43.902  2.0602  262.699   23.914    232.972   34.336    290.703   33.327    41.429  3.1171  46.376  2.6946  -4.946346      4.120320 
1 1 1 -14 -13 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -13 29 o 55.098  2.0962  411.416   30.816    422.853   43.996    400.402   43.176    55.854  2.9513  54.341  2.9777  1.512936       4.192494 
1 1 1 -14 -13 30 o 79.815  2.2884  864.106   48.908    888.909   69.200    839.350   69.132    80.973  3.1906  78.656  3.2814  2.317207       4.576843 
1 1 1 -14 -13 31 o 79.872  2.2923  867.312   48.961    922.938   69.211    811.589   69.272    82.475  3.1330  77.270  3.3470  5.205719       4.584589 
1 1 1 -14 -13 32 o 17.742  3.1434  45.019    14.897    44.478    20.615    45.609    21.551    17.636  4.3831  17.849  4.5071  -0.2123299     6.286896 
1 1 1 -14 -13 33 o 73.756  2.3165  742.192   45.709    776.634   64.318    707.045   64.973    75.524  3.1795  71.988  3.3696  3.535751       4.632911 
1 1 1 -14 -13 34 o 26.709  2.7925  101.891   18.864    126.702   26.578    76.705    26.778    30.274  3.3329  23.144  4.4816  7.129829       5.585042 
1 1 1 -14 -13 35 o 48.254  2.2992  320.661   29.495    338.600   41.539    302.421   41.886    49.666  3.1387  46.842  3.3607  2.823242       4.598499 
1 1 1 -14 -13 36 o 38.032  2.4653  201.579   24.759    211.331   34.392    191.088   35.672    39.061  3.3187  37.003  3.6466  2.058182       4.930633 
1 1 1 -14 -13 37 o 33.099  2.7467  156.990   23.084    116.344   32.461    198.575   32.834    28.405  4.4096  37.792  3.2760  -9.387617      5.493384 
1 1 1 -14 -13 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -13 39 o 40.112  2.3344  232.793   23.643    199.178   37.907    254.197   30.248    37.323  3.8470  42.901  2.6452  -5.578060      4.668707 
1 1 1 -14 -13 40 o 29.951  2.4205  124.028   18.454    143.664   30.996    113.246   22.969    31.578  3.7372  28.325  3.0770  3.253065       4.840914 
1 1 1 -14 -13 41 o 25.182  2.8292  93.462    17.523    93.677    29.673    93.347    21.714    24.819  4.6341  25.544  3.2469  -0.7254486     5.658391 
1 1 1 -14 -13 42 o 25.657  2.8582  91.122    18.337    128.973   31.212    71.173    22.659    29.498  4.0578  21.815  4.0262  7.682558       5.716325 
1 1 1 -14 -13 43 o 22.457  3.0115  64.501    16.861    132.994   30.462    34.248    20.245    30.002  3.8817  14.913  4.6053  15.08987       6.022951 
1 1 1 -14 -13 44 o 8.9445  2.8387  -3.1363   13.114    -6.8997   24.188    -1.5694   15.608    9.6253  4.3595  8.2638  3.6371  1.361566       5.677464 
1 1 1 -14 -13 45 o 23.327  3.4399  94.986    19.583    68.869    34.507    107.395   23.785    19.642  6.0036  27.012  3.3600  -7.370686      6.879879 
1 1 1 -14 -13 46 o 13.671  5.4612  27.813    30.205    27.813    30.205    0.0000    0.0000    13.671  5.4612  ?       ?       ?              ?        
1 1 1 -14 -12 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -12 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -12 3  o 126.392 5.4440  2151.63   184.301   0.0000    0.0000    2151.63   184.301   ?       ?       126.392 5.4440  ?              ?        
1 1 1 -14 -12 4  o 163.084 4.1264  3581.25   168.325   3594.52   297.063   3574.98   204.285   163.121 6.7991  163.048 4.6777  0.7321167E-01  8.252770 
1 1 1 -14 -12 5  o 186.682 3.6778  4690.69   183.898   4705.49   260.266   4675.94   259.877   186.977 5.1969  186.387 5.2055  0.5895386      7.355580 
1 1 1 -14 -12 6  o 93.292  2.2439  1167.60   56.059    1135.28   78.811    1200.69   79.756    91.984  3.1988  94.600  3.1476  -2.615784      4.487723 
1 1 1 -14 -12 7  o 120.761 2.6494  1958.12   85.660    1881.25   120.591   2036.42   121.699   118.364 3.8037  123.159 3.6892  -4.794373      5.298899 
1 1 1 -14 -12 8  o 212.035 4.1164  6060.34   233.674   6268.51   330.220   5851.55   330.709   215.707 5.7155  208.363 5.9257  7.343704       8.232853 
1 1 1 -14 -12 9  o 109.219 2.4551  1601.41   71.805    1623.89   100.987   1578.43   102.118   109.998 3.4276  108.441 3.5158  1.556679       4.910130 
1 1 1 -14 -12 10 o 123.987 3.3522  2089.97   104.191   2001.83   180.939   2133.69   127.441   121.917 5.5409  126.058 3.7744  -4.140755      6.704312 
1 1 1 -14 -12 11 o 55.509  3.4668  415.180   51.287    0.0000    0.0000    415.180   51.287    ?       ?       55.509  3.4668  ?              ?        
1 1 1 -14 -12 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -12 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -12 14 o 59.964  2.4520  488.695   35.862    496.135   42.992    471.677   65.024    60.824  2.6389  59.104  4.1334  1.719872       4.903973 
1 1 1 -14 -12 15 o 113.385 2.5085  1726.07   76.183    1737.70   108.198   1714.63   107.285   113.763 3.5508  113.006 3.5444  0.7570648      5.017091 
1 1 1 -14 -12 16 o 81.870  2.0945  899.101   45.922    911.150   65.654    887.560   64.256    82.406  2.9745  81.334  2.9495  1.072495       4.188963 
1 1 1 -14 -12 17 o 27.158  2.1233  99.838    15.144    110.130   22.091    90.712    20.802    28.499  2.9360  25.818  3.0682  2.680943       4.246603 
1 1 1 -14 -12 18 o 73.058  2.0080  716.664   39.261    701.997   56.334    730.515   54.746    72.327  2.9079  73.788  2.7700  -1.461380      4.016034 
1 1 1 -14 -12 19 o 91.925  2.2441  1135.18   55.222    1114.11   78.982    1155.33   77.238    91.085  3.2374  92.765  3.1086  -1.679817      4.488184 
1 1 1 -14 -12 20 o 17.361  2.8917  41.825    13.217    47.808    19.571    36.808    17.921    18.493  4.0621  16.228  4.1167  2.264818       5.783409 
1 1 1 -14 -12 21 o 136.704 2.9208  2516.86   106.927   2480.40   151.868   2552.71   150.577   135.714 4.1779  137.695 4.0827  -1.981308      5.841504 
1 1 1 -14 -12 22 o 128.070 2.8043  2209.66   96.171    2162.46   136.558   2256.10   135.461   126.703 4.0239  129.438 3.9072  -2.735695      5.608698 
1 1 1 -14 -12 23 o 53.072  1.9882  378.905   28.140    396.121   40.738    363.194   38.918    54.226  2.8145  51.918  2.8090  2.308266       3.976425 
1 1 1 -14 -12 24 o 61.957  2.0519  518.459   33.873    483.298   48.749    551.281   47.100    59.867  3.0502  64.047  2.7456  -4.180084      4.103883 
1 1 1 -14 -12 25 o 56.158  2.0101  425.203   30.145    409.602   43.047    440.215   42.228    55.100  2.9273  57.216  2.7554  -2.116310      4.020129 
1 1 1 -14 -12 26 o 73.471  2.1649  727.332   42.584    719.977   60.937    734.353   59.534    73.101  3.1122  73.841  3.0101  -0.7405090     4.329718 
1 1 1 -14 -12 27 o 123.518 2.8046  2066.76   92.787    2062.65   131.253   2070.87   131.187   123.393 3.9713  123.642 3.9613  -0.2493668     5.609179 
1 1 1 -14 -12 28 o 28.558  2.3311  111.798   17.475    106.385   24.880    117.069   24.550    27.845  3.4069  29.271  3.1825  -1.425920      4.662163 
1 1 1 -14 -12 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -12 30 o 58.762  2.1251  467.871   33.380    458.994   47.332    476.654   47.082    58.160  3.0490  59.364  2.9610  -1.204346      4.250159 
1 1 1 -14 -12 31 o 98.748  2.5272  1327.00   66.839    1312.59   93.897    1341.80   95.165    98.207  3.5696  99.290  3.5784  -1.082642      5.054383 
1 1 1 -14 -12 32 o 52.289  2.1833  372.491   30.426    383.475   42.856    361.328   43.204    53.086  3.0265  51.492  3.1476  1.594048       4.366628 
1 1 1 -14 -12 33 o 71.182  2.3100  689.860   44.038    684.433   61.728    695.486   62.845    70.903  3.2503  71.461  3.2833  -0.5582886     4.620047 
1 1 1 -14 -12 34 o 53.026  2.2427  384.834   31.681    393.079   44.255    376.169   45.372    53.638  3.0935  52.415  3.2478  1.223156       4.485320 
1 1 1 -14 -12 35 o 55.497  2.2913  422.851   33.889    431.450   47.447    413.896   48.420    56.103  3.1704  54.890  3.3088  1.212975       4.582540 
1 1 1 -14 -12 36 o 24.094  3.0303  82.764    18.788    76.897    25.429    89.815    27.880    23.147  4.2585  25.041  4.3123  -1.894360      6.060630 
1 1 1 -14 -12 37 o 38.062  2.1503  197.606   21.275    212.323   34.234    188.345   27.156    39.106  3.2991  37.017  2.7587  2.088474       4.300546 
1 1 1 -14 -12 38 o 65.398  4.5311  613.176   78.881    0.0000    0.0000    613.176   78.881    ?       ?       65.398  4.5311  ?              ?        
1 1 1 -14 -12 39 o 16.725  2.8334  47.795    13.865    9.9619    24.176    66.338    16.925    11.742  4.8137  21.709  2.9901  -9.967212      5.666781 
1 1 1 -14 -12 40 o 12.243  2.8871  21.134    12.230    0.0190    21.915    30.684    14.739    10.064  4.3716  14.423  3.7722  -4.359606      5.774126 
1 1 1 -14 -12 41 o 11.427  3.1052  13.491    12.477    20.575    22.726    10.435    14.929    12.824  4.8419  10.030  3.8893  2.794003       6.210496 
1 1 1 -14 -12 42 o 17.245  3.2111  38.330    15.492    77.240    26.882    18.984    18.955    22.411  4.6315  12.079  4.4492  10.33194       6.422277 
1 1 1 -14 -12 43 o 27.730  2.8443  109.904   19.590    130.358   34.025    99.761    23.960    29.285  4.4801  26.174  3.5056  3.110970       5.688657 
1 1 1 -14 -12 44 o 6.7726  2.2794  -21.0770  11.935    -59.3567  22.561    -6.2020   14.064    6.2464  3.1315  7.2988  3.3131  -1.052406      4.558794 
1 1 1 -14 -12 45 o 29.472  2.9651  129.267   21.701    146.930   37.371    120.282   26.655    30.470  4.7325  28.474  3.5736  1.996250       5.930234 
1 1 1 -14 -12 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -11 1  o 210.439 4.0579  5970.56   228.538   5701.93   323.573   6237.97   322.832   205.683 5.8733  215.196 5.6008  -9.512894      8.115763 
1 1 1 -14 -11 2  o 105.906 2.4167  1505.20   68.547    1533.03   97.343    1477.82   96.543    106.879 3.4004  104.934 3.4349  1.944580       4.833327 
1 1 1 -14 -11 3  o 164.618 3.3228  3643.56   146.499   3704.39   207.664   3583.29   206.701   165.990 4.6708  163.247 4.7273  2.743439       6.645535 
1 1 1 -14 -11 4  o 138.997 2.8890  2595.08   107.557   2612.84   152.355   2577.43   151.864   139.472 4.0783  138.522 4.0931  0.9499512      5.778039 
1 1 1 -14 -11 5  o 88.145  2.1747  1042.21   51.336    1018.80   72.301    1066.00   72.904    87.146  3.0975  89.144  3.0533  -1.997841      4.349339 
1 1 1 -14 -11 6  o 142.289 2.9541  2723.50   112.365   2915.50   158.766   2530.82   159.051   147.336 4.0231  137.242 4.3267  10.09409       5.908118 
1 1 1 -14 -11 7  o 120.702 2.5917  1955.75   83.785    1957.75   118.016   1953.72   118.970   120.765 3.6485  120.638 3.6818  0.1269760      5.183342 
1 1 1 -14 -11 8  o 231.612 4.4414  7234.27   275.520   7292.15   389.184   7176.12   390.106   232.549 6.2481  230.675 6.3138  1.874023       8.882777 
1 1 1 -14 -11 9  o 219.987 4.2228  6522.17   248.807   6584.99   351.372   6459.00   352.361   221.058 5.9343  218.916 6.0093  2.142029       8.445559 
1 1 1 -14 -11 10 o 147.525 3.0109  2923.87   118.966   2882.82   167.692   2965.45   168.800   146.481 4.2741  148.569 4.2418  -2.087967      6.021715 
1 1 1 -14 -11 11 o 106.785 2.3776  1530.83   67.972    1579.37   95.889    1481.81   96.367    108.491 3.2998  105.079 3.4239  3.412010       4.755183 
1 1 1 -14 -11 12 o 95.408  2.2266  1221.23   56.900    1218.84   80.412    1223.63   80.525    95.314  3.1497  95.502  3.1480  -0.1873627     4.453156 
1 1 1 -14 -11 13 o 101.383 2.3282  1379.52   63.211    1352.77   89.629    1405.99   89.160    100.403 3.3328  102.364 3.2519  -1.960892      4.656460 
1 1 1 -14 -11 14 o 178.512 4.4044  4311.21   197.969   4259.61   343.557   4336.87   242.227   177.491 7.2266  179.534 5.0372  -2.042542      8.808892 
1 1 1 -14 -11 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -11 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -11 17 o 84.236  2.1057  951.196   47.475    1004.06   68.138    901.325   66.183    86.510  2.9406  81.962  3.0147  4.548813       4.211353 
1 1 1 -14 -11 18 o 64.636  1.9547  560.200   33.816    566.211   48.863    554.676   46.847    64.967  2.8080  64.305  2.7199  0.6617966      3.909310 
1 1 1 -14 -11 19 o 68.252  2.0268  625.720   37.004    608.318   53.231    641.995   51.477    67.329  2.9517  69.175  2.7783  -1.846512      4.053571 
1 1 1 -14 -11 20 o 181.446 3.6628  4440.14   177.950   4316.65   252.173   4562.62   251.148   178.913 5.2622  183.979 5.0965  -5.066116      7.325665 
1 1 1 -14 -11 21 o 82.082  2.1700  904.412   47.695    915.586   68.422    893.851   66.521    82.574  3.0936  81.591  3.0439  0.9825134      4.339979 
1 1 1 -14 -11 22 f 159.821 3.3438  3445.03   143.139   3446.08   203.000   3443.98   201.861   159.842 4.7415  159.800 4.7162  0.4258728E-01  6.687593 
1 1 1 -14 -11 23 o 53.821  2.0146  390.033   28.928    394.472   41.559    385.862   40.290    54.116  2.8775  53.526  2.8202  0.5893822      4.029118 
1 1 1 -14 -11 24 o 105.290 2.4929  1492.94   70.273    1451.17   99.819    1533.99   98.948    103.819 3.5896  106.761 3.4602  -2.941383      4.985847 
1 1 1 -14 -11 25 o 76.132  2.2079  779.783   45.022    788.163   63.993    771.571   63.352    76.537  3.1216  75.726  3.1234  0.8101044      4.415855 
1 1 1 -14 -11 26 o 47.370  2.0374  303.417   25.691    291.195   36.786    315.053   35.894    46.421  2.9742  48.318  2.7853  -1.897099      4.074741 
1 1 1 -14 -11 27 o 89.657  2.3413  1084.58   56.212    1108.19   79.279    1060.72   79.713    90.648  3.2652  88.667  3.3564  1.980247       4.682673 
1 1 1 -14 -11 28 o 92.742  2.3987  1162.55   59.567    1192.25   84.061    1132.59   84.421    93.944  3.3407  91.539  3.4431  2.405167       4.797436 
1 1 1 -14 -11 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -11 30 o 76.868  2.2594  799.943   46.511    800.804   65.170    799.049   66.401    76.919  3.1632  76.818  3.2272  0.1008759      4.518881 
1 1 1 -14 -11 31 o 89.187  2.4260  1080.59   57.940    1086.60   81.234    1074.37   82.665    89.454  3.3904  88.919  3.4708  0.5344315      4.851954 
1 1 1 -14 -11 32 o 70.278  2.2437  670.560   42.225    674.856   59.180    666.106   60.264    70.519  3.1331  70.037  3.2125  0.4821777      4.487361 
1 1 1 -14 -11 33 o 60.091  2.2303  494.140   35.600    541.890   49.665    443.680   51.055    63.201  2.9338  56.981  3.3601  6.220551       4.460650 
1 1 1 -14 -11 34 o 21.314  3.0573  64.368    16.815    57.985    22.724    72.092    24.998    20.124  4.3431  22.504  4.3041  -2.379221      6.114605 
1 1 1 -14 -11 35 o 17.981  2.7664  46.340    12.439    45.111    21.197    46.985    15.362    17.677  4.4732  18.285  3.2561  -0.6076813     5.532808 
1 1 1 -14 -11 36 o 26.216  2.3726  93.710    15.965    106.290   25.753    85.858    20.347    27.567  3.5717  24.864  3.1240  2.702579       4.745210 
1 1 1 -14 -11 37 o 40.108  2.1725  220.053   22.769    232.660   36.020    211.664   29.384    40.966  3.3110  39.250  2.8137  1.715801       4.345094 
1 1 1 -14 -11 38 o 27.241  2.4782  98.446    17.103    133.994   28.765    79.005    21.272    30.854  3.5451  23.629  3.4639  7.224751       4.956420 
1 1 1 -14 -11 39 o 15.324  3.3816  34.533    15.838    23.753    23.773    43.137    21.239    13.642  4.9889  17.006  4.5664  -3.363626      6.763224 
1 1 1 -14 -11 40 o 37.618  2.2757  195.867   22.216    215.313   35.920    183.820   28.272    38.961  3.4786  36.275  2.9350  2.686787       4.551384 
1 1 1 -14 -11 41 o 33.093  2.3914  152.062   20.263    173.576   33.786    139.978   25.322    34.695  3.6925  31.492  3.0397  3.202522       4.782705 
1 1 1 -14 -11 42 o 27.606  2.8710  114.233   19.329    107.864   32.743    117.640   23.948    26.494  4.7903  28.717  3.1661  -2.222605      5.741994 
1 1 1 -14 -11 43 o 14.402  3.3994  31.495    14.925    26.142    27.398    33.755    17.798    13.938  5.3034  14.867  4.2541  -0.9290361     6.798774 
1 1 1 -14 -11 44 o 15.334  3.1475  38.598    16.435    0.7923    28.005    58.459    20.298    11.037  4.8641  19.631  3.9961  -8.594857      6.295094 
1 1 1 -14 -11 45 o 18.266  3.5186  45.594    17.724    90.060    31.734    25.434    21.367    23.389  5.2001  13.142  4.7414  10.24660       7.037205 
1 1 1 -14 -11 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -10 1  o 146.057 3.0215  2869.22   118.045   2703.66   167.245   3033.58   166.638   141.840 4.4022  150.275 4.1400  -8.434952      6.043055 
1 1 1 -14 -10 2  o 193.058 3.7714  5016.51   195.008   5087.36   276.349   4946.25   275.221   194.420 5.3067  191.695 5.3602  2.724945       7.542771 
1 1 1 -14 -10 3  o 168.679 3.4077  3825.96   153.952   3883.13   218.131   3769.22   217.313   169.938 4.7922  167.420 4.8461  2.518555       6.815413 
1 1 1 -14 -10 4  o 53.351  1.8089  381.506   25.845    372.013   36.205    391.369   36.905    52.675  2.5661  54.028  2.5502  -1.353336      3.617815 
1 1 1 -14 -10 5  o 132.304 2.7896  2350.97   98.831    2407.32   139.647   2294.42   139.889   133.897 3.8938  130.711 3.9956  3.186539       5.579121 
1 1 1 -14 -10 6  o 91.936  2.2162  1134.03   54.562    1144.39   76.636    1123.39   77.701    92.364  3.0977  91.509  3.1701  0.8550034      4.432333 
1 1 1 -14 -10 7  o 116.855 2.5344  1832.82   79.320    1837.22   111.645   1828.35   112.715   116.998 3.5626  116.712 3.6056  0.2857971      5.068780 
1 1 1 -14 -10 8  o 205.296 3.9682  5675.15   218.195   5722.89   308.053   5627.08   309.097   206.169 5.5784  204.423 5.6452  1.746124       7.936422 
1 1 1 -14 -10 9  o 15.982  2.3645  35.545    9.8229    27.168    13.613    44.645    14.188    13.967  3.6119  17.996  3.0526  -4.028305      4.729080 
1 1 1 -14 -10 10 o 176.386 3.4992  4184.49   165.292   4086.21   233.309   4283.52   234.211   174.299 4.9974  178.473 4.8994  -4.173462      6.998483 
1 1 1 -14 -10 11 o 122.347 2.6075  2009.52   85.444    2032.81   120.748   1986.16   120.925   123.059 3.6633  121.635 3.7117  1.424126       5.215044 
1 1 1 -14 -10 12 o 65.937  1.8799  583.141   33.191    568.421   47.056    597.714   46.823    65.107  2.6983  66.766  2.6183  -1.659042      3.759829 
1 1 1 -14 -10 13 o 211.860 4.1256  6047.87   234.091   5963.68   331.385   6131.72   330.726   210.379 5.8809  213.342 5.7877  -2.963669      8.251158 
1 1 1 -14 -10 14 o 139.577 2.8917  2616.62   108.100   2660.95   153.642   2573.16   152.122   140.749 4.0755  138.404 4.1035  2.344116       5.783426 
1 1 1 -14 -10 15 o 206.617 4.0184  5750.95   222.384   5736.96   315.375   5764.77   313.630   206.363 5.7057  206.872 5.6601  -0.5092316     8.036901 
1 1 1 -14 -10 16 o 158.312 3.2260  3369.89   136.775   3334.69   194.441   3404.37   192.432   157.487 4.6095  159.137 4.5146  -1.649673      6.452068 
1 1 1 -14 -10 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -10 18 o 67.792  1.9779  616.566   35.887    613.434   51.713    619.476   49.843    67.624  2.8550  67.961  2.7381  -0.3366241     3.955837 
1 1 1 -14 -10 19 o 174.174 3.5163  4084.90   164.011   4007.26   232.597   4161.67   231.301   172.517 5.0337  175.832 4.9112  -3.314941      7.032627 
1 1 1 -14 -10 20 o 283.637 5.4817  10923.46  416.374   10690.91  589.174   11155.49  588.510   280.577 7.8397  286.697 7.6638  -6.119598      10.96334 
1 1 1 -14 -10 21 o 141.037 2.9765  2675.96   112.433   2654.83   159.579   2696.79   158.436   140.479 4.2411  141.594 4.1775  -1.115128      5.953016 
1 1 1 -14 -10 22 o 127.439 2.7986  2184.54   95.527    2198.99   135.656   2170.32   134.541   127.856 3.9612  127.021 3.9545  0.8352432      5.597228 
1 1 1 -14 -10 23 o 108.167 2.5466  1573.57   73.778    1565.30   104.644   1581.75   104.035   107.882 3.6214  108.452 3.5814  -0.5704727     5.093238 
1 1 1 -14 -10 24 o 143.510 3.0903  2777.89   118.788   2781.82   167.971   2773.96   168.012   143.613 4.3667  143.408 4.3740  0.2047729      6.180611 
1 1 1 -14 -10 25 o 55.536  2.0446  415.258   30.332    434.112   43.002    396.591   42.789    56.836  2.8248  54.235  2.9567  2.600372       4.089164 
1 1 1 -14 -10 26 o 78.121  2.2311  821.439   46.685    815.374   65.848    827.570   66.199    77.830  3.1587  78.411  3.1520  -0.5807343     4.462287 
1 1 1 -14 -10 27 o 58.232  2.0736  457.440   32.255    474.413   45.366    440.088   45.870    59.373  2.8527  57.091  3.0103  2.282097       4.147292 
1 1 1 -14 -10 28 o 10.426  2.8094  8.8041    11.495    17.422    15.415    -1.9927   17.254    11.831  4.0459  9.0214  3.8988  2.810053       5.618733 
1 1 1 -14 -10 29 o 50.297  2.1083  342.580   28.269    344.686   39.641    340.401   40.323    50.461  2.9457  50.132  3.0170  0.3287048      4.216622 
1 1 1 -14 -10 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -10 31 o 24.562  2.5990  84.121    16.494    89.198    22.772    78.518    23.922    25.414  3.4333  23.710  3.9027  1.704025       5.197942 
1 1 1 -14 -10 32 o 25.829  2.5749  93.504    17.109    104.663   23.636    81.221    24.797    27.580  3.2628  24.078  3.9843  3.501368       5.149790 
1 1 1 -14 -10 33 o 48.763  2.5575  327.365   31.772    330.462   39.797    321.923   52.759    49.256  3.0313  48.271  4.1200  0.9843178      5.114982 
1 1 1 -14 -10 34 o 39.342  2.0421  209.584   21.070    220.723   32.991    201.911   27.382    40.169  3.0900  38.514  2.6709  1.655659       4.084279 
1 1 1 -14 -10 35 o 12.912  2.5736  24.301    10.947    -1.0909   18.359    38.309    13.636    9.3386  4.0289  16.486  3.2035  -7.147417      5.147272 
1 1 1 -14 -10 36 o 26.161  2.3899  91.524    15.999    119.768   25.760    73.789    20.413    29.375  3.3331  22.948  3.4260  6.426979       4.779843 
1 1 1 -14 -10 37 o 74.982  2.2183  763.224   44.296    873.758   66.829    676.610   59.158    79.774  3.1276  70.189  3.1467  9.584923       4.436615 
1 1 1 -14 -10 38 o 48.761  2.1555  325.529   27.699    348.438   43.020    309.308   36.200    50.131  3.2210  47.391  2.8653  2.739525       4.310977 
1 1 1 -14 -10 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -10 40 o 15.104  3.0601  29.077    13.420    54.130    22.373    14.999    16.772    18.978  4.4743  11.230  4.1757  7.747338       6.120114 
1 1 1 -14 -10 41 o 45.055  2.2568  282.923   26.555    305.315   42.378    268.447   34.075    46.325  3.4399  43.785  2.9223  2.540405       4.513599 
1 1 1 -14 -10 42 o 11.614  3.2183  14.878    14.275    10.079    24.414    17.371    17.597    11.577  4.8008  11.651  4.2875  -0.7468700E-01 6.436644 
1 1 1 -14 -10 43 o 18.229  3.3805  53.902    16.333    44.480    28.852    58.346    19.814    16.709  5.5339  19.749  3.8842  -3.039074      6.761040 
1 1 1 -14 -10 44 f 14.691  2.9744  36.103    15.186    -7.8514   28.121    54.198    18.043    10.319  4.6843  19.063  3.6668  -8.744424      5.948784 
1 1 1 -14 -10 45 o 10.215  3.0223  -6.0993   14.223    27.245    24.986    -22.0833  17.299    13.661  5.0932  6.7697  3.2553  6.891179       6.044627 
1 1 1 -14 -10 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -9  1  o 161.641 3.2757  3513.93   141.736   3380.94   200.821   3645.92   200.072   158.580 4.7279  164.703 4.5352  -6.122421      6.551436 
1 1 1 -14 -9  2  o 124.671 2.6971  2087.30   90.036    2033.42   127.596   2140.73   127.067   123.063 3.8710  126.278 3.7568  -3.214737      5.394226 
1 1 1 -14 -9  3  o 80.076  2.0927  860.164   44.873    883.620   63.477    836.734   63.443    81.169  2.9197  78.983  2.9989  2.185951       4.185457 
1 1 1 -14 -9  4  o 113.814 2.5714  1738.80   78.371    1695.86   110.711   1781.94   110.957   112.402 3.6773  115.226 3.5952  -2.823120      5.142716 
1 1 1 -14 -9  5  o 49.667  1.7473  330.723   23.191    317.012   32.187    345.525   33.443    48.565  2.4827  50.768  2.4594  -2.203587      3.494631 
1 1 1 -14 -9  6  o 94.242  2.2161  1191.70   55.924    1210.71   78.579    1172.19   79.609    95.006  3.0879  93.478  3.1796  1.528160       4.432248 
1 1 1 -14 -9  7  o 188.605 3.7130  4785.45   187.564   4722.04   264.627   4849.47   265.887   187.346 5.2735  189.864 5.2284  -2.518448      7.426022 
1 1 1 -14 -9  8  o 272.683 5.1762  10046.33  378.044   10127.99  534.149   9964.37   535.122   273.806 7.2834  271.561 7.3569  2.244629       10.35238 
1 1 1 -14 -9  9  o 158.398 3.1891  3372.39   135.211   3219.26   190.702   3527.18   191.737   154.771 4.6002  162.025 4.4181  -7.254898      6.378182 
1 1 1 -14 -9  10 o 99.448  2.2892  1326.83   60.973    1309.00   86.110    1344.76   86.348    98.777  3.2547  100.119 3.2199  -1.342247      4.578310 
1 1 1 -14 -9  11 o 98.430  2.2603  1299.76   59.590    1302.07   84.487    1297.47   84.062    98.517  3.2018  98.343  3.1913  0.1737213      4.520568 
1 1 1 -14 -9  12 o 110.244 2.4164  1631.41   71.330    1594.68   101.267   1667.59   100.490   109.008 3.4683  111.479 3.3654  -2.470932      4.832738 
1 1 1 -14 -9  13 o 53.262  1.7665  380.125   25.109    414.774   36.274    348.247   34.793    55.623  2.4347  50.900  2.5602  4.722397       3.533038 
1 1 1 -14 -9  14 o 52.005  1.7966  363.465   24.941    354.992   36.032    371.258   34.558    51.387  2.6267  52.623  2.4518  -1.236729      3.593126 
1 1 1 -14 -9  15 o 150.122 3.1000  3028.84   124.636   3006.73   177.199   3050.49   175.339   149.575 4.4229  150.669 4.3447  -1.093582      6.199946 
1 1 1 -14 -9  16 o 17.073  2.7520  41.232    12.283    35.548    18.427    45.777    16.478    15.985  4.2358  18.161  3.5146  -2.175882      5.504070 
1 1 1 -14 -9  17 o 69.113  2.0011  640.607   37.016    641.804   53.416    639.500   51.342    69.173  2.8830  69.053  2.7759  0.1204071      4.002172 
1 1 1 -14 -9  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -9  19 o 158.513 4.0985  3411.98   162.622   3457.59   198.273   3318.22   284.260   160.337 4.6168  156.689 6.7731  3.647797       8.196941 
1 1 1 -14 -9  20 o 128.454 2.8279  2217.28   97.296    2224.59   138.180   2210.09   137.022   128.663 4.0096  128.245 3.9890  0.4178314      5.655885 
1 1 1 -14 -9  21 o 147.501 3.1092  2926.95   122.832   2898.71   173.963   2955.02   173.459   146.788 4.4246  148.215 4.3693  -1.427261      6.218417 
1 1 1 -14 -9  22 o 185.667 3.7381  4650.19   185.882   4576.51   262.805   4723.96   262.950   184.185 5.3271  187.149 5.2456  -2.964264      7.476239 
1 1 1 -14 -9  23 o 113.565 2.6190  1734.57   79.640    1785.32   112.635   1683.84   112.621   115.233 3.6493  111.897 3.7576  3.335854       5.238037 
1 1 1 -14 -9  24 o 84.933  2.2612  969.422   51.440    961.318   72.487    977.642   73.011    84.575  3.1998  85.290  3.1959  -0.7154083     4.522495 
1 1 1 -14 -9  25 o 71.591  2.1886  689.483   41.940    710.940   58.924    667.451   59.708    72.727  3.0249  70.455  3.1640  2.271584       4.377274 
1 1 1 -14 -9  26 o 54.918  2.0501  406.858   30.029    416.145   42.061    397.202   42.886    55.567  2.8355  54.268  2.9616  1.298569       4.100113 
1 1 1 -14 -9  27 o 72.998  2.1880  717.659   42.766    726.466   59.932    708.523   61.042    73.461  3.0459  72.536  3.1419  0.9248352      4.375953 
1 1 1 -14 -9  28 o 99.873  2.5018  1347.06   66.913    1347.91   93.802    1346.17   95.479    99.913  3.5051  99.833  3.5706  0.7987213E-01  5.003518 
1 1 1 -14 -9  29 o 71.301  2.2334  687.667   42.568    722.802   59.469    650.751   60.958    73.194  3.0334  69.407  3.2789  3.786835       4.466877 
1 1 1 -14 -9  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -9  31 o 78.782  2.3175  842.245   48.829    866.035   67.855    816.694   70.322    79.968  3.1679  77.596  3.3835  2.371948       4.635040 
1 1 1 -14 -9  32 o 83.310  2.3316  951.846   51.484    844.412   75.442    1045.49   70.434    78.765  3.5759  87.854  2.9932  -9.089020      4.663298 
1 1 1 -14 -9  33 o 80.894  2.2900  895.861   49.206    823.855   72.482    957.413   67.014    77.765  3.4798  84.022  2.9777  -6.257637      4.579937 
1 1 1 -14 -9  34 o 19.814  2.6055  55.412    13.025    54.806    20.813    55.802    16.699    19.623  4.0924  20.006  3.2261  -0.3830223     5.211022 
1 1 1 -14 -9  35 o 47.938  2.0377  309.052   25.827    349.279   39.782    279.744   33.957    50.584  2.9490  45.292  2.8130  5.292271       4.075462 
1 1 1 -14 -9  36 o 47.942  2.0620  308.259   26.084    370.182   40.233    263.358   34.259    52.033  2.8983  43.850  2.9338  8.182728       4.123961 
1 1 1 -14 -9  37 o 23.962  2.5318  77.725    15.393    96.918    25.285    66.423    19.403    26.222  3.7032  21.703  3.4535  4.518295       5.063651 
1 1 1 -14 -9  38 o 31.232  2.3258  132.255   18.738    154.802   30.634    118.775   23.686    33.238  3.4932  29.226  3.0717  4.011744       4.651667 
1 1 1 -14 -9  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -9  40 o 22.686  3.0065  76.963    16.824    72.134    28.198    79.632    20.965    21.760  4.9498  23.612  3.4140  -1.852171      6.012998 
1 1 1 -14 -9  41 o 51.536  2.2285  369.696   30.219    400.025   47.321    348.810   39.270    53.152  3.3409  49.921  2.9500  3.231434       4.456909 
1 1 1 -14 -9  42 o 12.291  3.1720  19.272    12.962    22.702    22.613    17.593    15.818    13.093  4.8525  11.488  4.0866  1.604613       6.344019 
1 1 1 -14 -9  43 o 17.899  3.3991  47.977    15.894    58.963    27.773    42.627    19.382    19.142  5.2564  16.656  4.3110  2.485518       6.798151 
1 1 1 -14 -9  44 o 13.395  3.5096  21.788    15.784    37.148    28.411    14.931    18.983    15.470  5.4796  11.320  4.3868  4.149575       7.019257 
1 1 1 -14 -9  45 o 27.619  3.0262  107.088   20.586    154.431   36.893    85.682    24.807    31.543  4.4937  23.695  4.0544  7.847479       6.052363 
1 1 1 -14 -9  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -8  1  o 105.732 2.4212  1500.01   68.564    1521.55   97.314    1478.78   96.619    106.486 3.4119  104.978 3.4362  1.508698       4.842326 
1 1 1 -14 -8  2  o 211.389 4.1380  6018.36   234.266   5925.47   331.659   6110.85   330.947   209.750 5.9034  213.027 5.8001  -3.276657      8.275913 
1 1 1 -14 -8  3  o 170.294 3.4816  3898.88   158.806   3909.46   224.779   3888.34   224.393   170.525 4.9213  170.063 4.9262  0.4620209      6.963206 
1 1 1 -14 -8  4  o 230.152 4.4648  7139.10   275.211   7249.46   389.255   7028.80   389.159   231.941 6.2657  228.362 6.3623  3.579056       8.929568 
1 1 1 -14 -8  5  o 108.386 2.4169  1576.03   70.162    1558.92   98.744    1593.48   99.711    107.791 3.4201  108.980 3.4159  -1.188828      4.833772 
1 1 1 -14 -8  6  o 68.737  1.8833  633.724   34.654    642.991   48.416    623.989   49.623    69.254  2.6101  68.220  2.7157  1.033997       3.766664 
1 1 1 -14 -8  7  o 192.375 3.7675  4978.21   194.125   4969.53   273.939   4986.96   275.134   192.208 5.3210  192.542 5.3349  -0.3346710     7.534908 
1 1 1 -14 -8  8  o 166.983 3.3213  3747.31   148.514   3643.04   209.467   3852.72   210.599   164.640 4.7500  169.325 4.6435  -4.685150      6.642604 
1 1 1 -14 -8  9  o 99.310  2.2286  1322.92   59.280    1328.21   83.738    1317.61   83.931    99.510  3.1417  99.111  3.1616  0.3986435      4.457166 
1 1 1 -14 -8  10 o 218.968 4.2142  6458.12   247.145   6372.35   349.665   6543.75   349.366   217.506 6.0019  220.430 5.9173  -2.923462      8.428366 
1 1 1 -14 -8  11 o 220.925 4.2349  6575.47   250.520   6780.60   354.962   6371.89   353.620   224.376 5.9063  217.474 6.0707  6.901978       8.469835 
1 1 1 -14 -8  12 o 172.012 3.3998  3978.02   156.626   3944.41   222.209   4011.22   220.803   171.285 4.8434  172.740 4.7723  -1.454254      6.799507 
1 1 1 -14 -8  13 o 111.893 2.4330  1679.55   72.904    1722.02   104.078   1638.65   102.152   113.281 3.4301  110.504 3.4513  2.777580       4.865930 
1 1 1 -14 -8  14 o 52.359  1.7854  366.730   25.012    388.139   36.377    347.534   34.445    53.805  2.5241  50.913  2.5259  2.892170       3.570891 
1 1 1 -14 -8  15 o 84.061  2.1095  947.635   47.486    956.097   67.990    939.575   66.350    84.426  3.0066  83.696  2.9597  0.7306213      4.218974 
1 1 1 -14 -8  16 o 81.194  2.1134  884.489   45.941    877.994   65.820    890.659   64.152    80.902  3.0375  81.487  2.9392  -0.5857468     4.226712 
1 1 1 -14 -8  17 o 184.167 3.6781  4564.94   181.429   4539.57   257.301   4590.03   255.863   183.653 5.2306  184.680 5.1725  -1.027954      7.356225 
1 1 1 -14 -8  18 o 162.259 3.3188  3540.21   144.225   3604.59   204.749   3476.81   203.190   163.727 4.6689  160.791 4.7179  2.935074       6.637556 
1 1 1 -14 -8  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -8  20 o 52.542  1.9565  370.460   27.445    396.308   39.460    346.240   38.197    54.358  2.7102  50.727  2.8224  3.631062       3.912987 
1 1 1 -14 -8  21 f 77.193  2.1611  799.746   44.678    788.191   63.311    811.209   63.058    76.636  3.0843  77.750  3.0280  -1.113930      4.322186 
1 1 1 -14 -8  22 o 44.718  2.0242  269.427   24.118    268.399   34.045    270.462   34.172    44.632  2.8630  44.804  2.8624  -0.1721001     4.048467 
1 1 1 -14 -8  23 o 139.704 2.9751  2627.43   111.279   2704.80   156.986   2549.30   157.760   141.783 4.1338  137.625 4.2797  4.158722       5.950107 
1 1 1 -14 -8  24 o 69.254  2.1122  644.255   39.169    649.099   54.850    639.214   55.954    69.522  2.9455  68.986  3.0282  0.5367737      4.224469 
1 1 1 -14 -8  25 f 167.043 3.4748  3770.85   155.462   3783.44   218.895   3758.04   220.830   167.333 4.8839  166.752 4.9442  0.5808411      6.949646 
1 1 1 -14 -8  26 o 45.229  2.0856  275.815   25.085    254.438   34.850    298.800   36.136    43.397  3.0169  47.061  2.8806  -3.664452      4.171297 
1 1 1 -14 -8  27 o 30.501  2.2171  126.249   17.818    116.150   24.609    137.378   25.833    29.199  3.1989  31.803  3.0707  -2.604088      4.434218 
1 1 1 -14 -8  28 o 33.519  2.1740  153.086   19.226    165.147   26.950    140.587   27.435    34.903  2.9093  32.135  3.2313  2.768459       4.347970 
1 1 1 -14 -8  29 o 23.411  3.1921  84.304    18.133    100.400   22.549    54.843    30.506    27.096  3.1666  19.727  5.5435  7.369425       6.384161 
1 1 1 -14 -8  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -8  31 o 144.176 3.1417  2844.73   121.225   2807.56   174.301   2879.55   168.711   143.193 4.5445  145.158 4.3392  -1.964874      6.283454 
1 1 1 -14 -8  32 o 63.567  2.1112  552.141   35.526    509.086   52.691    588.027   48.105    61.176  3.2270  65.958  2.7229  -4.781857      4.222313 
1 1 1 -14 -8  33 o 9.6195  2.6748  7.2221    9.6913    9.3353    16.502    6.1097    11.974    10.445  4.0783  8.7943  3.4620  1.650312       5.349534 
1 1 1 -14 -8  34 o 51.753  2.0874  368.061   28.397    339.289   43.062    390.200   37.774    49.820  3.2447  53.686  2.6269  -3.865570      4.174748 
1 1 1 -14 -8  35 o 42.954  2.0590  251.593   23.304    254.702   35.681    249.279   30.775    43.128  3.1096  42.781  2.6996  0.3478775      4.117954 
1 1 1 -14 -8  36 o 25.510  2.4247  90.630    15.807    91.478    25.003    90.066    20.402    25.506  3.7738  25.515  3.0454  -0.8634567E-02 4.849327 
1 1 1 -14 -8  37 o 46.932  2.1497  303.656   26.421    298.677   41.071    307.171   34.510    46.483  3.3206  47.380  2.7309  -0.8967094     4.299374 
1 1 1 -14 -8  38 o 10.662  2.8956  6.1341    11.787    23.673    19.963    -3.2522   14.604    13.343  4.6025  7.9802  3.5150  5.362885       5.791258 
1 1 1 -14 -8  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -8  40 o 23.167  2.7695  72.630    16.035    104.270   27.176    55.731    19.860    26.850  3.8922  19.483  3.9410  7.366743       5.539038 
1 1 1 -14 -8  41 o 19.437  3.0932  56.551    15.291    58.764    25.224    55.265    19.228    19.520  4.8467  19.354  3.8446  0.1653500      6.186378 
1 1 1 -14 -8  42 o 13.491  3.0097  15.646    13.255    53.425    23.690    -1.5741   15.993    18.543  4.7489  8.4400  3.6989  10.10290       6.019465 
1 1 1 -14 -8  43 o 28.814  2.7949  112.949   20.107    168.149   34.529    84.628    24.733    33.823  3.8818  23.805  4.0222  10.01744       5.589819 
1 1 1 -14 -8  44 f 39.856  2.5613  228.597   26.103    244.464   43.333    219.561   32.702    40.534  4.0454  39.179  3.1427  1.354702       5.122622 
1 1 1 -14 -8  45 o 9.9938  3.0924  0.4412    14.101    10.453    27.017    -3.3070   16.531    11.734  4.9696  8.2539  3.6816  3.479860       6.184813 
1 1 1 -14 -8  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -7  1  o 241.305 4.6950  7852.33   303.436   7768.50   429.592   7935.79   428.658   240.009 6.6825  242.601 6.5967  -2.591797      9.390045 
1 1 1 -14 -7  2  o 155.631 3.1636  3253.66   131.873   3287.65   186.852   3219.92   186.144   156.442 4.4592  154.819 4.4888  1.622955       6.327235 
1 1 1 -14 -7  3  o 155.913 3.1957  3265.73   133.439   3329.55   188.846   3202.09   188.576   157.438 4.4783  154.387 4.5602  3.051437       6.391437 
1 1 1 -14 -7  4  o 106.476 2.3914  1521.26   68.183    1553.60   96.133    1488.53   96.722    107.618 3.3350  105.335 3.4282  2.282990       4.782769 
1 1 1 -14 -7  5  o 103.772 2.3273  1444.52   64.682    1448.40   90.981    1440.56   91.974    103.914 3.2688  103.630 3.3135  0.2838745      4.654519 
1 1 1 -14 -7  6  o 221.815 4.2438  6624.00   252.135   6598.80   355.980   6649.37   357.167   221.391 6.0031  222.239 6.0002  -0.8473358     8.487587 
1 1 1 -14 -7  7  o 177.260 3.4886  4223.38   165.622   4271.94   233.768   4174.44   234.685   178.288 4.8953  176.232 4.9718  2.055832       6.977260 
1 1 1 -14 -7  8  o 143.555 2.9446  2766.99   113.220   2751.51   159.960   2782.53   160.276   143.152 4.1718  143.958 4.1566  -0.8060608     5.889107 
1 1 1 -14 -7  9  o 147.208 2.9924  2910.63   117.952   2829.12   166.922   2991.92   166.698   145.144 4.2936  149.273 4.1693  -4.129227      5.984834 
1 1 1 -14 -7  10 o 127.745 2.6834  2190.29   91.780    2271.54   130.391   2110.51   129.210   130.097 3.7419  125.394 3.8471  4.703667       5.366723 
1 1 1 -14 -7  11 o 151.676 3.0672  3089.79   124.604   3121.71   177.043   3058.46   175.402   152.452 4.3357  150.899 4.3397  1.552780       6.134408 
1 1 1 -14 -7  12 o 79.972  2.0251  858.904   43.312    824.215   62.132    891.696   60.410    78.395  2.9590  81.548  2.7657  -3.153297      4.050266 
1 1 1 -14 -7  13 o 54.408  1.7926  397.321   26.078    387.757   37.737    406.062   36.077    53.778  2.6198  55.037  2.4473  -1.258682      3.585115 
1 1 1 -14 -7  14 o 62.284  1.8702  520.103   31.174    521.148   45.023    519.141   43.207    62.343  2.6963  62.225  2.5923  0.1172981      3.740338 
1 1 1 -14 -7  15 o 74.823  2.0018  750.918   40.101    747.297   57.506    754.345   55.950    74.646  2.8762  75.001  2.7851  -0.3545227     4.003664 
1 1 1 -14 -7  16 o 121.497 2.6687  1981.58   86.834    2033.44   123.607   1931.05   122.011   123.069 3.7498  119.926 3.7984  3.142395       5.337453 
1 1 1 -14 -7  17 o 190.677 3.8060  4894.81   194.377   4865.53   275.354   4923.90   274.428   190.104 5.4077  191.250 5.3572  -1.146255      7.612016 
1 1 1 -14 -7  18 o 241.654 4.6930  7884.19   303.764   7872.25   429.801   7896.12   429.373   241.468 6.6454  241.839 6.6286  -0.3707123     9.386081 
1 1 1 -14 -7  19 f 36.292  2.0859  177.929   20.089    174.976   28.754    180.745   28.079    35.990  3.0105  36.595  2.8881  -0.6048622     4.171880 
1 1 1 -14 -7  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -7  21 o 83.357  2.2158  932.567   49.465    939.304   69.576    925.682   70.339    83.663  3.1048  83.051  3.1620  0.6119995      4.431527 
1 1 1 -14 -7  22 o 146.119 3.0958  2872.04   121.159   2876.29   170.749   2867.74   171.946   146.231 4.3594  146.008 4.3967  0.2230835      6.191588 
1 1 1 -14 -7  23 o 11.358  2.8568  12.339    11.616    1.6690    15.953    24.379    16.946    9.1938  3.8522  13.522  4.2196  -4.328293      5.713508 
1 1 1 -14 -7  24 o 81.641  2.2416  894.997   49.008    870.703   68.595    920.326   70.044    80.509  3.1810  82.773  3.1593  -2.264114      4.483262 
1 1 1 -14 -7  25 o 118.350 2.7404  1888.20   86.756    1976.50   121.817   1797.33   123.585   121.180 3.7531  115.519 3.9941  5.661026       5.480743 
1 1 1 -14 -7  26 o 99.192  2.4643  1323.49   65.447    1279.07   91.235    1370.57   93.937    97.478  3.4943  100.907 3.4756  -3.429245      4.928505 
1 1 1 -14 -7  27 f 87.059  2.2663  1022.07   52.719    990.187   76.543    1050.85   72.717    85.747  3.3327  88.371  3.0721  -2.624329      4.532646 
1 1 1 -14 -7  28 o 58.093  1.9772  453.381   30.665    462.962   45.438    445.368   41.556    58.646  2.8926  57.540  2.6964  1.106041       3.954439 
1 1 1 -14 -7  29 o 107.103 2.5331  1550.57   72.595    1557.55   105.145   1544.21   100.351   107.312 3.6581  106.894 3.5049  0.4177399      5.066154 
1 1 1 -14 -7  30 o 105.279 2.5626  1506.32   72.012    1431.59   104.586   1573.69   99.300    102.728 3.8010  107.831 3.4381  -5.102982      5.125247 
1 1 1 -14 -7  31 o 57.038  2.3860  448.118   35.424    474.667   46.206    410.262   55.174    59.268  2.9107  54.808  3.7815  4.459373       4.771953 
1 1 1 -14 -7  32 o 45.770  1.9820  280.911   24.031    317.601   36.510    252.865   31.921    48.380  2.8298  43.161  2.7759  5.218224       3.963982 
1 1 1 -14 -7  33 o 12.954  2.8683  22.795    10.906    22.206    17.482    23.171    13.955    13.000  4.3077  12.908  3.7884  0.9141541E-01  5.736619 
1 1 1 -14 -7  34 o 46.703  2.0997  300.631   25.720    274.306   38.860    321.153   34.310    44.773  3.2629  48.634  2.6437  -3.861923      4.199475 
1 1 1 -14 -7  35 o 60.598  2.1479  504.490   34.338    472.716   51.859    529.296   45.821    58.749  3.3091  62.447  2.7394  -3.698330      4.295884 
1 1 1 -14 -7  36 o 43.324  2.1625  259.542   24.503    244.968   37.632    270.267   32.283    42.148  3.3614  44.499  2.7216  -2.351231      4.325058 
1 1 1 -14 -7  37 o 58.343  2.1558  462.212   33.276    506.910   51.327    429.806   43.704    60.696  3.1682  55.989  2.9244  4.706852       4.311556 
1 1 1 -14 -7  38 o 37.142  2.2700  189.783   21.792    199.852   35.310    183.587   27.697    37.798  3.5285  36.486  2.8569  1.312332       4.540030 
1 1 1 -14 -7  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -7  40 o 36.545  2.3081  181.424   21.846    220.087   35.855    158.595   27.551    39.462  3.4261  33.627  3.0936  5.835941       4.616140 
1 1 1 -14 -7  41 o 14.420  3.2030  26.741    13.774    46.952    23.300    15.885    17.077    17.463  4.8224  11.376  4.2168  6.086841       6.405966 
1 1 1 -14 -7  42 o 34.132  2.4607  158.451   21.504    208.210   36.236    131.400   26.718    37.991  3.6041  30.273  3.3513  7.718782       4.921427 
1 1 1 -14 -7  43 o 23.246  3.1606  80.507    17.976    89.188    31.545    76.333    21.875    23.739  5.1123  22.753  3.7178  0.9862137      6.321195 
1 1 1 -14 -7  44 o 17.579  3.3210  38.162    16.489    87.240    29.786    16.475    19.800    23.490  4.8929  11.667  4.4917  11.82268       6.641987 
1 1 1 -14 -7  45 o 10.481  3.1646  6.4912    14.909    3.6971    26.739    7.7518    17.960    10.988  4.7999  9.9748  4.1255  1.012726       6.329224 
1 1 1 -14 -7  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -6  1  o 185.572 3.6608  4630.00   181.958   4617.56   257.728   4642.36   256.927   185.321 5.1922  185.823 5.1621  -0.5012207     7.321563 
1 1 1 -14 -6  2  o 191.275 3.7365  4919.23   191.431   4919.13   270.989   4919.33   270.461   191.273 5.2894  191.278 5.2790  -0.5371094E-02 7.473005 
1 1 1 -14 -6  3  o 115.884 2.5346  1801.70   78.671    1803.51   111.115   1799.88   111.402   115.943 3.5780  115.825 3.5909  0.1173630      5.069168 
1 1 1 -14 -6  4  o 65.887  1.8667  581.735   32.937    572.421   46.021    591.516   47.159    65.347  2.6293  66.427  2.6505  -1.080505      3.733437 
1 1 1 -14 -6  5  o 146.985 2.9812  2900.99   117.343   2957.18   165.445   2844.12   166.456   148.422 4.1617  145.548 4.2698  2.873856       5.962412 
1 1 1 -14 -6  6  o 107.161 2.3598  1540.34   67.726    1548.08   95.279    1532.44   96.287    107.435 3.3110  106.888 3.3632  0.5467224      4.719523 
1 1 1 -14 -6  7  o 147.454 3.0035  2919.90   118.577   3013.03   167.590   2826.54   167.795   149.815 4.1764  145.092 4.3176  4.722443       6.007040 
1 1 1 -14 -6  8  o 141.197 2.9014  2676.19   109.727   2693.34   155.396   2659.13   154.959   141.648 4.0958  140.745 4.1105  0.9036255      5.802759 
1 1 1 -14 -6  9  o 101.388 2.2741  1378.96   61.744    1361.24   87.844    1396.26   86.803    100.743 3.2554  102.034 3.1761  -1.291206      4.548158 
1 1 1 -14 -6  10 o 223.398 4.2853  6719.93   256.387   6619.48   363.341   6819.55   361.836   221.723 6.1181  225.072 6.0021  -3.348434      8.570624 
1 1 1 -14 -6  11 o 72.694  1.9320  708.149   37.605    720.643   54.058    696.434   52.345    73.314  2.7529  72.073  2.7115  1.240791       3.864025 
1 1 1 -14 -6  12 o 146.805 3.0336  2894.97   119.262   2854.07   169.536   2935.03   167.800   145.773 4.3421  147.836 4.2376  -2.063110      6.067202 
1 1 1 -14 -6  13 o 26.524  1.9322  97.673    13.146    78.441    19.422    113.935   17.859    23.985  3.0954  29.063  2.3133  -5.078001      3.864306 
1 1 1 -14 -6  14 o 95.085  2.2748  1214.20   57.871    1164.86   82.570    1261.83   81.131    93.179  3.3084  96.990  3.1230  -3.810486      4.549565 
1 1 1 -14 -6  15 o 59.205  1.8694  469.873   29.633    473.966   42.602    466.037   41.247    59.454  2.6752  58.956  2.6120  0.4977417      3.738884 
1 1 1 -14 -6  16 o 55.052  1.8964  407.595   27.863    386.474   39.799    427.898   39.021    53.611  2.7811  56.492  2.5788  -2.880898      3.792752 
1 1 1 -14 -6  17 o 106.901 2.4667  1533.77   70.627    1547.00   100.074   1520.64   99.691    107.361 3.4801  106.441 3.4967  0.9197464      4.933326 
1 1 1 -14 -6  18 o 113.369 2.5828  1725.48   78.428    1719.08   110.799   1731.90   111.029   113.159 3.6556  113.580 3.6496  -0.4217377     5.165568 
1 1 1 -14 -6  19 o 113.434 2.5966  1727.54   78.888    1701.20   111.249   1754.18   111.882   112.563 3.6899  114.305 3.6543  -1.742226      5.193176 
1 1 1 -14 -6  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -6  21 o 116.344 2.6611  1818.45   82.905    1840.81   116.411   1795.44   118.098   117.074 3.7123  115.613 3.8137  1.460846       5.322148 
1 1 1 -14 -6  22 o 154.642 3.2636  3220.16   135.077   3342.93   190.192   3095.20   191.874   157.635 4.5045  151.648 4.7238  5.987137       6.527256 
1 1 1 -14 -6  23 o 93.067  2.3719  1165.23   59.024    1226.62   82.715    1101.54   84.250    95.578  3.2310  90.556  3.4735  5.022232       4.743859 
1 1 1 -14 -6  24 f 51.881  2.0628  364.091   28.413    396.949   39.464    328.727   40.941    54.385  2.7091  49.378  3.1115  5.007328       4.125636 
1 1 1 -14 -6  25 o 88.189  2.2155  1042.14   52.069    1196.64   75.747    903.736   71.695    94.381  2.9963  81.997  3.2644  12.38374       4.431041 
1 1 1 -14 -6  26 o 87.182  2.2953  1027.62   53.315    943.426   77.232    1104.26   73.691    83.729  3.4437  90.634  3.0355  -6.905022      4.590618 
1 1 1 -14 -6  27 o 38.697  1.9622  201.193   20.135    216.122   30.023    188.989   27.145    39.996  2.8206  37.399  2.7286  2.596748       3.924439 
1 1 1 -14 -6  28 o 80.040  2.1627  859.626   46.282    923.336   67.853    804.196   63.290    82.803  3.0594  77.277  3.0577  5.526321       4.325411 
1 1 1 -14 -6  29 o 90.308  2.3293  1101.76   56.224    1085.58   81.890    1116.19   77.333    89.655  3.4101  90.961  3.1741  -1.305992      4.658679 
1 1 1 -14 -6  30 o 79.972  2.2101  864.945   47.170    850.891   69.415    877.001   64.294    79.336  3.2666  80.608  2.9779  -1.271614      4.420222 
1 1 1 -14 -6  31 o 15.787  4.3653  35.090    19.078    35.090    19.078    0.0000    0.0000    15.787  4.3653  ?       ?       ?              ?        
1 1 1 -14 -6  32 o 77.130  2.2443  810.211   46.072    767.747   67.991    846.263   62.647    75.191  3.3759  79.069  2.9581  -3.877876      4.488545 
1 1 1 -14 -6  33 f 81.543  2.2553  897.639   49.103    975.933   73.020    833.006   66.344    84.760  3.2163  78.326  3.1623  6.433739       4.510575 
1 1 1 -14 -6  34 o 60.798  2.1544  507.709   34.528    468.304   52.004    538.774   46.174    58.538  3.3305  63.059  2.7337  -4.521542      4.308793 
1 1 1 -14 -6  35 o 34.993  2.1424  165.246   19.575    182.503   31.056    153.872   25.214    36.445  3.2144  33.541  2.8331  2.903961       4.284738 
1 1 1 -14 -6  36 o 22.982  2.6494  76.552    15.132    65.898    24.125    83.462    19.428    21.406  4.3558  24.557  3.0172  -3.150415      5.298715 
1 1 1 -14 -6  37 o 57.149  2.2084  452.842   33.075    424.944   50.976    473.127   43.466    55.415  3.4515  58.883  2.7560  -3.467419      4.416809 
1 1 1 -14 -6  38 o 32.643  2.4966  153.769   20.373    132.812   32.844    166.874   25.973    30.498  4.1266  34.789  2.8114  -4.290695      4.993295 
1 1 1 -14 -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -6  40 o 29.755  2.6139  128.100   19.288    122.410   32.275    131.261   24.057    28.892  4.3017  30.618  2.9708  -1.725235      5.227882 
1 1 1 -14 -6  41 o 32.381  2.5656  152.487   20.854    144.247   34.237    157.347   26.294    31.307  4.1879  33.455  2.9650  -2.147879      5.131235 
1 1 1 -14 -6  42 o 33.338  2.5529  160.387   21.324    161.636   35.945    159.709   26.489    33.050  4.1522  33.627  2.9715  -0.5776253     5.105886 
1 1 1 -14 -6  43 o 33.831  2.7806  170.451   23.076    161.791   39.358    174.987   28.485    32.571  4.6428  35.090  3.0614  -2.519497      5.561233 
1 1 1 -14 -6  44 o 14.381  3.4557  32.592    16.860    10.097    30.985    42.053    20.095    12.362  5.2816  16.400  4.4578  -4.038506      6.911341 
1 1 1 -14 -6  45 o 19.730  3.5755  67.660    18.616    52.340    33.764    74.351    22.314    17.358  5.9857  22.102  3.9125  -4.743042      7.150986 
1 1 1 -14 -6  46 o 39.088  9.0149  358.512   92.456    358.512   92.456    0.0000    0.0000    39.088  9.0149  ?       ?       ?              ?        
1 1 1 -14 -5  1  o 82.786  2.8515  922.904   62.963    957.399   87.227    885.377   90.979    84.467  3.8554  81.105  4.2024  3.362335       5.703033 
1 1 1 -14 -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -5  6  o 245.021 5.5610  7940.73   346.368   7611.34   423.280   8608.30   602.593   237.749 6.6469  252.293 8.9172  -14.54420      11.12199 
1 1 1 -14 -5  7  o 194.708 3.7955  5095.95   197.925   5019.59   280.057   5172.14   279.761   193.245 5.4106  196.171 5.3243  -2.925842      7.591009 
1 1 1 -14 -5  8  o 33.934  1.6542  157.247   14.700    129.498   21.196    182.960   20.404    30.976  2.5782  36.893  2.0732  -5.917347      3.308347 
1 1 1 -14 -5  9  o 231.896 4.4259  7240.32   274.857   7106.21   389.518   7373.32   387.900   229.743 6.3299  234.048 6.1876  -4.305450      8.851798 
1 1 1 -14 -5  10 o 272.779 5.1476  10037.58  376.089   9981.97   532.838   10092.80  530.907   272.017 7.3132  273.541 7.2462  -1.524017      10.29516 
1 1 1 -14 -5  11 o 58.442  1.7901  457.358   28.003    470.261   40.510    445.549   38.753    59.230  2.5535  57.653  2.5095  1.576305       3.580224 
1 1 1 -14 -5  12 o 84.982  2.1088  969.219   47.960    943.781   68.668    993.447   67.014    83.890  3.0560  86.074  2.9067  -2.184639      4.217611 
1 1 1 -14 -5  13 o 160.914 3.2459  3478.75   139.895   3510.08   198.638   3447.92   197.053   161.633 4.5882  160.195 4.5925  1.438034       6.491705 
1 1 1 -14 -5  14 o 225.383 4.3993  6846.02   265.528   6700.26   375.922   6991.14   375.105   222.973 6.2944  227.794 6.1478  -4.821457      8.798619 
1 1 1 -14 -5  15 o 79.080  2.1039  838.657   44.562    849.723   63.397    827.849   62.650    79.596  2.9736  78.565  2.9772  1.031319       4.207843 
1 1 1 -14 -5  16 o 86.417  2.1953  1001.79   50.814    1005.40   71.905    998.189   71.819    86.573  3.1009  86.262  3.1084  0.3113785      4.390609 
1 1 1 -14 -5  17 o 59.695  1.9332  477.858   30.909    477.110   43.547    478.619   43.878    59.648  2.7257  59.742  2.7421  -0.9376907E-01 3.866340 
1 1 1 -14 -5  18 o 236.345 4.6152  7539.12   292.162   7568.37   412.565   7509.69   413.797   236.811 6.5043  235.879 6.5495  0.9323730      9.230495 
1 1 1 -14 -5  19 o 83.890  2.2376  944.036   50.273    929.399   70.463    959.211   71.749    83.228  3.1609  84.551  3.1681  -1.323929      4.475295 
1 1 1 -14 -5  20 o 194.503 3.8772  5095.54   201.963   4979.04   284.487   5213.91   286.765   192.254 5.5246  196.753 5.4415  -4.499390      7.754382 
1 1 1 -14 -5  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -5  22 o 261.440 5.0678  9257.03   354.869   9302.86   500.516   9210.72   503.216   262.106 7.1294  260.774 7.2044  1.331604       10.13568 
1 1 1 -14 -5  23 o 109.744 2.5240  1619.82   74.101    1569.11   106.393   1667.59   103.266   108.064 3.6757  111.425 3.4601  -3.360497      5.048083 
1 1 1 -14 -5  24 o 94.345  2.3157  1194.43   58.478    1228.21   84.616    1163.54   80.909    95.618  3.3039  93.072  3.2456  2.546486       4.631338 
1 1 1 -14 -5  25 o 99.307  2.5046  1341.14   65.815    1131.95   94.785    1535.89   91.458    91.706  3.8588  106.908 3.1939  -15.20107      5.009133 
1 1 1 -14 -5  26 o 89.489  2.3379  1082.93   55.736    993.796   80.779    1163.92   77.003    85.931  3.5096  93.047  3.0897  -7.116005      4.675843 
1 1 1 -14 -5  27 o 118.213 2.6685  1882.91   84.446    1926.22   121.911   1842.95   117.084   119.512 3.8084  116.914 3.7389  2.597328       5.336962 
1 1 1 -14 -5  28 o 133.169 2.9243  2400.11   104.210   2366.60   150.003   2431.37   144.880   132.238 4.2350  134.100 4.0336  -1.862213      5.848533 
1 1 1 -14 -5  29 o 46.279  2.5200  300.721   27.743    268.754   50.766    314.332   33.127    44.295  4.3345  48.264  2.5718  -3.969452      5.040040 
1 1 1 -14 -5  30 o 15.606  2.6418  36.161    11.026    23.206    17.487    44.711    14.206    13.260  4.3043  17.952  3.0643  -4.692273      5.283615 
1 1 1 -14 -5  31 o 41.810  3.0894  237.716   34.352    237.716   34.352    0.0000    0.0000    41.810  3.0894  ?       ?       ?              ?        
1 1 1 -14 -5  32 o 52.675  2.0266  374.516   28.321    393.501   42.797    359.725   37.776    53.832  2.9797  51.517  2.7475  2.315483       4.053136 
1 1 1 -14 -5  33 o 20.470  2.6068  59.874    13.322    54.299    21.497    63.350    16.974    19.535  4.2309  21.406  3.0465  -1.870844      5.213573 
1 1 1 -14 -5  34 o 84.098  2.3482  965.505   52.601    944.529   78.125    982.900   71.143    83.178  3.5066  85.018  3.1242  -1.839592      4.696476 
1 1 1 -14 -5  35 o 40.483  2.1156  221.551   22.496    240.625   35.202    208.384   29.247    41.897  3.1601  39.069  2.8137  2.827816       4.231212 
1 1 1 -14 -5  36 o 20.602  2.8156  60.670    14.453    59.807    24.012    61.161    18.098    20.324  4.5270  20.880  3.3493  -0.5557690     5.631282 
1 1 1 -14 -5  37 o 54.727  2.2248  414.582   31.909    396.567   49.435    427.449   41.778    53.506  3.4681  55.948  2.7879  -2.441784      4.449697 
1 1 1 -14 -5  38 o 20.329  3.0517  66.748    15.627    39.401    26.350    81.585    19.408    16.492  5.2765  24.165  3.0676  -7.673153      6.103434 
1 1 1 -14 -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -5  40 o 45.032  2.2786  279.376   26.683    310.750   43.364    260.258   33.850    46.863  3.4795  43.202  2.9429  3.661884       4.557105 
1 1 1 -14 -5  41 o 11.684  3.1157  16.639    12.959    9.7341    23.504    19.654    15.533    11.449  4.7261  11.918  4.0614  -0.4689779     6.231424 
1 1 1 -14 -5  42 o 15.712  3.2637  39.591    14.754    26.590    26.316    45.551    17.818    13.992  5.2251  17.431  3.9123  -3.438876      6.527432 
1 1 1 -14 -5  43 o 26.530  3.0944  103.262   20.088    117.306   35.281    96.525    24.435    27.397  4.9917  25.664  3.6583  1.733652       6.188743 
1 1 1 -14 -5  44 o 18.544  3.7165  52.690    18.046    67.518    33.273    46.510    21.479    19.917  5.8511  17.171  4.5843  2.746294       7.433089 
1 1 1 -14 -5  45 o 7.9878  2.6044  -10.4185  13.071    -38.4246  25.036    0.0764    15.326    7.6290  3.7256  8.3466  3.6404  -0.7175474     5.208872 
1 1 1 -14 -4  1  o 498.575 9.4126  33993.59  1256.94   33679.81  1777.76   34307.24  1777.39   496.225 13.375  500.925 13.247  -4.700500      18.82515 
1 1 1 -14 -4  2  o 155.278 3.1525  3236.88   131.089   3162.44   185.331   3311.42   185.446   153.488 4.5080  157.069 4.4079  -3.581833      6.304937 
1 1 1 -14 -4  3  o 398.985 7.4740  21592.46  798.421   20896.90  1128.43   22289.77  1129.85   392.471 10.734  405.499 10.403  -13.02734      14.94794 
1 1 1 -14 -4  4  o 276.259 5.1892  10282.23  383.977   10275.12  542.535   10289.36  543.518   276.165 7.3345  276.354 7.3427  -0.1894531     10.37839 
1 1 1 -14 -4  5  o 43.826  1.6119  258.081   18.855    258.671   26.516    257.478   26.817    43.878  2.2639  43.774  2.2952  0.1034317      3.223854 
1 1 1 -14 -4  6  o 137.346 2.8305  2531.14   104.102   2606.23   147.529   2456.67   146.917   139.379 3.9518  135.314 4.0536  4.064346       5.661099 
1 1 1 -14 -4  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -4  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -4  9  o 202.356 3.9146  5505.04   212.156   5447.31   300.913   5562.11   299.161   201.294 5.5811  203.417 5.4907  -2.122665      7.829215 
1 1 1 -14 -4  10 f 101.685 2.2965  1386.21   62.538    1415.07   89.336    1358.48   87.574    102.722 3.2469  100.647 3.2485  2.074791       4.592969 
1 1 1 -14 -4  11 o 241.080 4.6629  7829.47   301.093   7822.81   426.626   7836.07   424.998   240.974 6.6098  241.185 6.5788  -0.2108917     9.325772 
1 1 1 -14 -4  12 o 307.121 5.7966  12752.86  476.823   12885.70  675.135   12620.66  673.526   308.728 8.1644  305.513 8.2307  3.214966       11.59317 
1 1 1 -14 -4  13 o 55.350  1.8391  410.677   27.261    412.408   38.933    409.013   38.185    55.464  2.6207  55.236  2.5809  0.2278976      3.678223 
1 1 1 -14 -4  14 f 261.708 5.0128  9244.84   351.356   9095.54   496.744   9394.33   497.040   259.577 7.1446  263.839 7.0334  -4.261353      10.02564 
1 1 1 -14 -4  15 o 200.226 3.9736  5396.67   213.102   5407.85   301.148   5385.44   301.596   200.435 5.6094  200.016 5.6295  0.4194489      7.947151 
1 1 1 -14 -4  16 o 111.968 2.5330  1682.49   75.961    1657.53   106.932   1707.91   107.924   111.129 3.5925  112.807 3.5719  -1.677666      5.065972 
1 1 1 -14 -4  17 o 188.463 3.7611  4780.99   189.835   4843.16   267.783   4718.18   269.157   189.704 5.2701  187.223 5.3673  2.480698       7.522111 
1 1 1 -14 -4  18 o 211.784 4.1871  6045.33   237.505   6076.65   334.929   6013.64   336.844   212.343 5.8888  211.225 5.9538  1.118423       8.374102 
1 1 1 -14 -4  19 o 69.874  2.1186  657.279   39.508    707.052   55.162    604.857   56.611    72.606  2.8365  67.142  3.1479  5.463394       4.237279 
1 1 1 -14 -4  20 o 193.082 3.9268  5040.29   202.112   4496.32   286.811   5576.88   284.859   182.631 5.8632  203.533 5.2252  -20.90158      7.853652 
1 1 1 -14 -4  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -4  22 o 132.188 2.8500  2348.25   100.880   2354.49   144.444   2342.32   140.951   132.354 4.0745  132.022 3.9860  0.3322601      5.699925 
1 1 1 -14 -4  23 o 88.116  2.2570  1041.93   53.222    1053.37   77.068    1031.51   73.587    88.574  3.2485  87.658  3.1341  0.9164429      4.513915 
1 1 1 -14 -4  24 o 83.519  2.2047  936.624   49.248    938.205   71.625    935.206   67.823    83.580  3.1994  83.458  3.0341  0.1217346      4.409303 
1 1 1 -14 -4  25 o 134.715 2.9308  2447.43   105.613   2362.50   151.521   2527.68   147.287   132.415 4.2721  137.015 4.0134  -4.599686      5.861595 
1 1 1 -14 -4  26 o 62.665  2.0253  523.266   33.585    638.488   49.994    428.504   45.339    68.946  2.7072  56.383  3.0131  12.56326       4.050624 
1 1 1 -14 -4  27 o 126.261 2.8019  2150.11   94.706    2182.50   136.580   2120.11   131.436   127.165 4.0099  125.357 3.9145  1.807861       5.603796 
1 1 1 -14 -4  28 o 68.427  2.0708  627.742   37.845    662.500   56.154    598.816   51.227    70.149  2.9886  66.706  2.8671  3.442795       4.141533 
1 1 1 -14 -4  29 o 28.237  2.1056  109.156   15.351    105.966   24.052    111.348   19.941    27.830  3.2903  28.644  2.6284  -0.8133907     4.211248 
1 1 1 -14 -4  30 o 45.606  1.9833  279.015   23.953    303.248   36.479    260.647   31.759    47.322  2.8919  43.890  2.7149  3.432598       3.966543 
1 1 1 -14 -4  31 o 40.741  3.1028  225.842   33.605    225.842   33.605    0.0000    0.0000    40.741  3.1028  ?       ?       ?              ?        
1 1 1 -14 -4  32 o 99.804  2.5088  1355.95   66.861    1341.20   98.176    1368.71   91.307    99.233  3.6937  100.376 3.3962  -1.142303      5.017695 
1 1 1 -14 -4  33 o 12.580  2.7928  17.114    10.703    35.404    18.222    7.4803    13.224    15.788  4.2255  9.3709  3.6531  6.417198       5.585687 
1 1 1 -14 -4  34 o 49.941  2.1067  340.171   27.675    338.228   42.667    341.582   36.362    49.745  3.2195  50.137  2.7179  -0.3915710     4.213337 
1 1 1 -14 -4  35 o 28.789  2.4743  120.097   17.571    95.621    27.931    136.127   22.604    26.019  4.1470  31.559  2.7000  -5.539944      4.948554 
1 1 1 -14 -4  36 o 20.823  2.8048  62.925    14.527    57.451    23.902    66.132    18.293    19.892  4.5807  21.754  3.2382  -1.862003      5.609671 
1 1 1 -14 -4  37 o 20.430  2.8997  61.416    14.726    55.216    24.572    64.890    18.395    19.377  4.7671  21.483  3.3026  -2.105955      5.799350 
1 1 1 -14 -4  38 o 7.9606  2.5254  -4.7763   10.337    -6.9541   18.875    -3.8434   12.354    8.7155  3.9074  7.2057  3.2003  1.509793       5.050703 
1 1 1 -14 -4  39 o 30.379  4.2158  133.642   33.379    133.642   33.379    0.0000    0.0000    30.379  4.2158  ?       ?       ?              ?        
1 1 1 -14 -4  40 o 30.487  2.5052  126.094   19.401    159.730   33.055    108.419   23.962    33.342  3.7675  27.632  3.3031  5.709679       5.010396 
1 1 1 -14 -4  41 o 9.9240  2.8660  7.2504    12.130    -8.3999   22.719    13.491    14.346    9.3387  4.2278  10.509  3.8706  -1.170724      5.731977 
1 1 1 -14 -4  42 o 13.490  3.2867  22.354    13.389    38.855    25.146    15.825    15.817    15.849  5.1623  11.131  4.0696  4.717888       6.573475 
1 1 1 -14 -4  43 o 9.8997  2.9928  3.2998    14.136    -13.2133  25.550    10.584    16.969    9.4486  4.3548  10.351  4.1065  -0.9020824     5.985614 
1 1 1 -14 -4  44 o 24.031  3.5190  93.348    20.483    88.617    36.683    95.491    24.690    22.727  5.9546  25.334  3.7519  -2.607323      7.038017 
1 1 1 -14 -4  45 o 27.759  3.1593  105.503   21.169    173.718   39.742    78.481    25.013    33.173  4.5962  22.344  4.3358  10.82936       6.318563 
1 1 1 -14 -3  1  o 241.678 4.6256  7859.08   299.359   7665.94   423.444   8052.07   423.273   238.695 6.6231  244.661 6.4590  -5.965424      9.251210 
1 1 1 -14 -3  2  o 419.514 7.8783  23878.40  884.686   22885.22  1250.47   24873.70  1251.80   410.668 11.368  428.359 10.910  -17.69077      15.75665 
1 1 1 -14 -3  3  o 207.302 4.0019  5774.02   222.178   5659.01   313.796   5889.64   314.620   205.226 5.7085  209.378 5.6100  -4.151825      8.003755 
1 1 1 -14 -3  4  o 132.594 2.7525  2358.10   97.754    2362.70   138.039   2353.46   138.453   132.724 3.8829  132.463 3.9023  0.2608337      5.505004 
1 1 1 -14 -3  5  o 131.652 2.7433  2324.67   96.736    2331.25   137.029   2318.13   136.581   131.837 3.8805  131.466 3.8787  0.3712463      5.486598 
1 1 1 -14 -3  6  o 269.890 5.0576  9807.47   365.542   9606.49   517.509   10007.60  516.403   267.114 7.2332  272.666 7.0708  -5.551666      10.11512 
1 1 1 -14 -3  7  o 94.022  2.1719  1184.74   54.687    1206.02   78.156    1164.33   76.548    94.849  3.0764  93.195  3.0666  1.653679       4.343711 
1 1 1 -14 -3  8  o 224.773 4.3238  6794.30   260.306   6748.90   368.970   6839.29   367.293   224.020 6.1491  225.526 6.0803  -1.505585      8.647677 
1 1 1 -14 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -3  10 o 211.074 4.0481  5990.81   228.795   6179.05   324.507   5804.74   322.633   214.382 5.6513  207.766 5.7976  6.615891       8.096199 
1 1 1 -14 -3  11 o 86.893  2.1482  1012.30   49.992    1018.16   71.263    1006.61   70.148    87.140  3.0532  86.645  3.0226  0.4947739      4.296320 
1 1 1 -14 -3  12 f 104.686 2.3983  1470.10   67.232    1511.74   95.333    1428.91   94.829    106.163 3.3526  103.210 3.4303  2.953102       4.796535 
1 1 1 -14 -3  13 o 85.468  2.1736  979.841   49.736    943.149   70.203    1016.81   70.471    83.859  3.1255  87.077  3.0215  -3.217422      4.347168 
1 1 1 -14 -3  14 o 189.392 3.7619  4824.91   190.823   4879.23   269.435   4770.24   270.296   190.467 5.2813  188.316 5.3587  2.151077       7.523876 
1 1 1 -14 -3  15 o 106.220 2.4548  1513.72   69.831    1480.30   98.138    1547.99   99.386    105.032 3.4884  107.409 3.4546  -2.376854      4.909519 
1 1 1 -14 -3  16 o 249.992 4.8061  8435.41   321.792   8522.83   454.186   8347.29   455.984   251.306 6.7475  248.677 6.8458  2.629349       9.612154 
1 1 1 -14 -3  17 o 136.065 3.4657  2443.20   120.129   2344.99   147.171   2639.28   207.946   132.124 4.1586  140.005 5.5452  -7.881012      6.931345 
1 1 1 -14 -3  18 o 34.534  1.8259  160.147   16.392    207.981   24.224    119.745   22.263    39.321  2.3101  29.746  2.8282  9.574451       3.651773 
1 1 1 -14 -3  19 o 221.026 4.3467  6592.87   257.151   6342.94   365.005   6839.17   362.343   216.829 6.2848  225.223 6.0064  -8.393616      8.693456 
1 1 1 -14 -3  20 o 115.014 2.5719  1775.66   79.205    1791.34   113.664   1760.87   110.431   115.504 3.6740  114.523 3.6001  0.9807739      5.143768 
1 1 1 -14 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -3  22 o 131.380 2.9072  2329.37   101.869   2118.43   145.739   2530.88   142.445   125.514 4.3351  137.246 3.8749  -11.73159      5.814411 
1 1 1 -14 -3  23 o 57.131  1.9446  436.852   29.687    452.769   43.787    423.310   40.387    58.089  2.8143  56.172  2.6843  1.916740       3.889166 
1 1 1 -14 -3  24 o 136.271 2.9108  2496.61   106.195   2597.87   152.624   2401.58   147.855   138.950 4.1009  133.593 4.1320  5.357162       5.821581 
1 1 1 -14 -3  25 o 120.013 2.6973  1937.26   86.657    1970.72   125.031   1906.32   120.214   121.003 3.8577  119.023 3.7708  1.980583       5.394560 
1 1 1 -14 -3  26 o 73.490  2.1127  722.508   41.490    785.526   61.119    668.648   56.504    76.448  2.9848  70.532  2.9909  5.916763       4.225494 
1 1 1 -14 -3  27 o 62.158  2.0510  519.606   34.011    519.312   50.382    519.851   46.101    62.131  3.0275  62.186  2.7677  -0.5518341E-01 4.101942 
1 1 1 -14 -3  28 o 27.403  2.1097  102.130   15.052    103.291   23.164    101.281   19.802    27.504  3.2044  27.302  2.7450  0.2014732      4.219354 
1 1 1 -14 -3  29 o 15.719  2.6600  33.319    10.918    43.434    17.515    26.891    13.963    17.579  3.8283  13.859  3.6943  3.720519       5.320090 
1 1 1 -14 -3  30 o 98.623  2.4930  1320.37   65.613    1277.67   96.056    1357.72   89.838    97.070  3.6945  100.175 3.3482  -3.105240      4.985936 
1 1 1 -14 -3  31 o 27.271  2.2747  104.729   15.706    89.198    24.341    115.807   20.558    25.366  3.6907  29.175  2.6600  -3.808702      4.549376 
1 1 1 -14 -3  32 o 55.984  2.0578  422.676   30.543    447.799   46.455    403.545   40.537    57.413  3.0316  54.556  2.7834  2.856808       4.115561 
1 1 1 -14 -3  33 o 36.370  2.0879  177.866   19.911    196.747   31.251    164.964   25.834    37.946  3.1018  34.793  2.7957  3.152767       4.175781 
1 1 1 -14 -3  34 o 88.639  2.3976  1069.28   56.670    1100.43   84.701    1044.03   76.251    89.739  3.5238  87.538  3.2520  2.200516       4.795135 
1 1 1 -14 -3  35 o 30.224  2.2710  123.487   17.771    139.210   28.559    113.553   22.701    31.720  3.4152  28.727  2.9943  2.992950       4.541942 
1 1 1 -14 -3  36 o 17.034  2.8779  46.921    13.612    18.111    22.990    62.472    16.891    12.898  4.8699  21.170  3.0682  -8.271834      5.755855 
1 1 1 -14 -3  37 o 39.601  2.2621  217.362   23.115    215.671   37.181    218.427   29.511    39.319  3.5694  39.883  2.7799  -0.5644379     4.524196 
1 1 1 -14 -3  38 o 8.9211  3.4307  -13.5158  9.8342    -69.8351  18.787    7.7409    11.542    ?       ?       8.9211  3.4307  ?              ?        
1 1 1 -14 -3  39 o 9.0396  2.7180  2.4349    11.099    -6.0338   20.253    6.0701    13.269    9.1001  4.0659  8.9790  3.6080  0.1210966      5.435958 
1 1 1 -14 -3  40 o 16.054  3.1749  41.357    15.101    19.571    25.453    53.191    18.759    13.081  5.0767  19.026  3.8139  -5.944611      6.349714 
1 1 1 -14 -3  41 o 12.432  3.1733  20.507    12.822    18.204    23.973    21.430    15.175    12.614  4.9182  12.250  4.0113  0.3639765      6.346569 
1 1 1 -14 -3  42 o 32.812  2.7102  156.792   22.008    159.544   37.807    155.383   27.066    32.557  4.4523  33.068  3.0917  -0.5108147     5.420453 
1 1 1 -14 -3  43 o 6.1571  3.0953  -51.4075  10.530    -64.2619  22.858    -47.9443  11.864    6.1571  3.0953  ?       ?       ?              ?        
1 1 1 -14 -3  44 o 21.427  3.5892  74.929    18.956    73.055    35.349    75.686    22.458    20.456  6.0369  22.399  3.8840  -1.942886      7.178411 
1 1 1 -14 -3  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -2  1  o 240.168 4.6147  7756.88   296.793   7571.05   419.770   7942.64   419.686   237.280 6.6048  243.057 6.4466  -5.776550      9.229398 
1 1 1 -14 -2  2  o 141.032 2.9343  2668.66   110.787   2567.65   156.515   2770.09   156.839   138.353 4.2236  143.711 4.0745  -5.358627      5.868565 
1 1 1 -14 -2  3  o 129.236 2.7290  2240.11   94.446    2186.41   133.572   2293.79   133.563   127.686 3.9056  130.788 3.8127  -3.101997      5.458020 
1 1 1 -14 -2  4  o 214.865 4.1284  6202.74   237.539   6050.13   336.137   6354.98   335.726   212.216 5.9136  217.514 5.7625  -5.297836      8.256900 
1 1 1 -14 -2  5  o 37.581  1.5922  190.948   15.862    173.170   22.869    207.428   22.019    35.870  2.3940  39.292  2.0998  -3.421730      3.184433 
1 1 1 -14 -2  6  o 86.808  2.1255  1010.13   49.409    1005.72   70.531    1014.37   69.237    86.621  3.0399  86.994  2.9714  -0.3734818     4.250935 
1 1 1 -14 -2  7  o 219.477 4.2266  6473.51   248.466   6490.94   352.234   6456.24   350.539   219.770 5.9838  219.184 5.9709  0.5865173      8.453215 
1 1 1 -14 -2  8  o 165.395 3.3391  3671.87   147.919   3684.49   210.032   3659.46   208.357   165.676 4.7330  165.114 4.7112  0.5619202      6.678123 
1 1 1 -14 -2  9  o 201.083 3.9215  5433.50   211.206   5410.51   299.398   5456.28   297.988   200.656 5.5707  201.509 5.5210  -0.8530426     7.843048 
1 1 1 -14 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -2  11 o 93.014  2.2224  1160.30   55.350    1124.82   78.197    1195.93   78.357    91.587  3.1876  94.441  3.0976  -2.853958      4.444770 
1 1 1 -14 -2  12 o 404.602 7.6413  22269.13  828.082   22065.77  1170.49   22472.91  1171.68   402.726 10.851  406.477 10.762  -3.750458      15.28266 
1 1 1 -14 -2  13 o 85.349  2.1629  976.632   49.434    948.514   69.362    1005.66   70.471    84.100  3.0792  86.598  3.0382  -2.497772      4.325750 
1 1 1 -14 -2  14 o 230.268 5.5003  7182.92   319.459   7216.18   391.454   7116.60   552.756   231.426 6.3151  229.111 9.0074  2.315186       11.00063 
1 1 1 -14 -2  15 o 187.278 3.7096  4717.81   186.074   4722.80   264.310   4712.90   262.001   187.373 5.2664  187.183 5.2257  0.1901855      7.419145 
1 1 1 -14 -2  16 o 238.481 4.5750  7670.04   292.225   7773.53   414.673   7567.95   411.879   240.085 6.4484  236.878 6.4917  3.207108       9.150071 
1 1 1 -14 -2  17 o 79.988  2.0912  857.657   44.777    872.614   64.622    843.845   62.102    80.657  2.9912  79.319  2.9231  1.337891       4.182343 
1 1 1 -14 -2  18 o 205.633 4.0423  5696.46   222.635   5725.29   316.487   5668.23   313.245   206.144 5.7319  205.121 5.7015  1.023285       8.084599 
1 1 1 -14 -2  19 o 212.157 4.1543  6067.77   236.041   6013.11   335.535   6121.31   332.116   211.198 5.9314  213.116 5.8181  -1.918198      8.308573 
1 1 1 -14 -2  20 f 104.011 2.4889  1458.84   69.021    1329.75   99.151    1580.22   96.139    99.512  3.7199  108.510 3.3078  -8.998199      4.977874 
1 1 1 -14 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -2  22 o 29.318  2.3984  129.150   16.217    67.296    24.070    180.570   21.946    22.005  4.2375  36.630  2.2477  -14.62477      4.796754 
1 1 1 -14 -2  23 o 183.054 3.6616  4515.86   179.502   4617.25   256.251   4418.18   251.523   185.072 5.1693  181.035 5.1871  4.037643       7.323149 
1 1 1 -14 -2  24 o 55.921  1.9826  422.467   29.416    399.915   43.596    441.317   39.856    54.493  2.9984  57.349  2.5947  -2.855839      3.965184 
1 1 1 -14 -2  25 o 97.231  2.4254  1275.82   62.925    1199.18   91.212    1345.42   86.921    94.414  3.6068  100.049 3.2436  -5.634163      4.850780 
1 1 1 -14 -2  26 o 92.359  2.3675  1149.23   58.422    1124.52   85.166    1171.19   80.291    91.403  3.4787  93.315  3.2124  -1.912071      4.735023 
1 1 1 -14 -2  27 o 44.237  2.0034  265.938   23.299    252.570   35.429    276.125   30.928    43.215  3.0810  45.260  2.5617  -2.044975      4.006825 
1 1 1 -14 -2  28 o 50.043  1.9557  332.576   25.914    400.353   39.239    280.150   34.510    54.552  2.6854  45.534  2.8438  9.018158       3.911347 
1 1 1 -14 -2  29 o 101.842 2.5205  1403.72   68.591    1387.79   100.212   1417.77   94.083    101.261 3.6948  102.423 3.4294  -1.162331      5.041081 
1 1 1 -14 -2  30 o 67.731  4.3513  627.840   78.522    0.0000    0.0000    627.840   78.522    ?       ?       67.731  4.3513  ?              ?        
1 1 1 -14 -2  31 o 18.051  2.5499  42.148    11.992    77.023    19.405    20.599    15.253    23.650  3.1410  12.451  4.0178  11.19872       5.099880 
1 1 1 -14 -2  32 o 104.595 2.5792  1488.78   72.079    1516.03   106.104   1465.43   98.222    105.428 3.7574  103.762 3.5341  1.665779       5.158305 
1 1 1 -14 -2  33 o 59.200  2.1110  470.786   33.176    519.768   50.802    434.365   43.807    61.871  3.0656  56.528  2.9031  5.342209       4.222021 
1 1 1 -14 -2  34 o 33.819  2.1924  153.868   19.221    171.332   31.133    143.112   24.433    35.290  3.3332  32.348  2.8490  2.941551       4.384816 
1 1 1 -14 -2  35 o 70.052  2.1862  657.617   40.653    776.399   62.541    570.709   53.496    75.431  3.0955  64.674  3.0882  10.75634       4.372492 
1 1 1 -14 -2  36 o 51.126  2.1637  351.938   29.122    403.335   45.847    317.172   37.706    54.157  3.1745  48.096  2.9411  6.060928       4.327495 
1 1 1 -14 -2  37 o 28.093  2.5234  108.487   17.998    121.221   29.891    101.244   22.542    29.241  3.9147  26.944  3.1851  2.296272       5.046738 
1 1 1 -14 -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -2  39 o 10.865  2.9972  11.559    11.752    12.998    21.639    10.958    13.997    11.700  4.6387  10.030  3.7967  1.669864       5.994339 
1 1 1 -14 -2  40 o 67.088  2.3979  629.064   42.324    675.227   66.841    598.166   54.684    68.824  3.6388  65.353  3.1239  3.470146       4.795841 
1 1 1 -14 -2  41 f 12.094  3.2207  14.435    13.401    29.953    24.463    7.7820    16.018    14.409  5.0867  9.7787  3.9520  4.630053       6.441475 
1 1 1 -14 -2  42 o 17.226  3.3967  39.705    15.605    69.738    28.602    26.976    18.620    20.939  5.1381  13.513  4.4442  7.426332       6.793494 
1 1 1 -14 -2  43 o 7.5329  2.5175  -17.5609  13.246    -46.2728  25.234    -6.6402   15.563    7.3802  3.6317  7.6855  3.4873  -0.3053384     5.034915 
1 1 1 -14 -2  44 o 30.029  3.1506  138.293   22.882    143.202   40.195    135.940   27.832    29.653  5.2530  30.405  3.4802  -0.7522621     6.301276 
1 1 1 -14 -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -1  1  o 149.653 3.1333  3006.32   125.465   2847.80   177.399   3164.97   177.468   145.696 4.5458  153.609 4.3133  -7.912659      6.266542 
1 1 1 -14 -1  2  o 248.533 4.7670  8304.31   317.275   8126.07   449.139   8481.85   448.250   245.859 6.8203  251.206 6.6620  -5.346344      9.534075 
1 1 1 -14 -1  3  o 253.913 4.8353  8671.70   328.598   8290.78   465.045   9051.52   464.372   248.320 6.9919  259.507 6.6808  -11.18701      9.670562 
1 1 1 -14 -1  4  o 114.217 2.4759  1750.26   75.677    1673.16   107.418   1826.24   106.634   111.715 3.5899  116.719 3.4109  -5.004593      4.951875 
1 1 1 -14 -1  5  o 325.241 6.1255  14255.14  533.627   14298.51  755.295   14211.93  754.030   325.736 8.6569  324.745 8.6688  0.9904785      12.25109 
1 1 1 -14 -1  6  o 70.902  1.9149  673.565   36.352    677.867   52.200    669.513   50.654    71.122  2.7402  70.683  2.6755  0.4385834      3.829762 
1 1 1 -14 -1  7  o 183.368 3.6585  4513.98   179.663   4616.05   254.923   4413.25   253.249   185.431 5.1326  181.305 5.2149  4.126282       7.317063 
1 1 1 -14 -1  8  o 333.592 6.3011  15019.69  563.014   14992.34  796.802   15046.97  795.642   333.285 8.9258  333.900 8.8964  -0.6151428     12.60217 
1 1 1 -14 -1  9  o 153.804 3.1379  3174.85   129.255   3235.21   182.960   3114.71   182.628   155.266 4.3994  152.342 4.4757  2.924301       6.275826 
1 1 1 -14 -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -1  11 o 181.075 3.5867  4404.77   173.952   4438.51   247.162   4371.66   244.866   181.761 5.0768  180.388 5.0679  1.373093       7.173422 
1 1 1 -14 -1  12 o 146.181 3.0136  2875.78   117.273   3276.84   167.230   2487.70   164.500   156.256 3.9957  136.107 4.5123  20.14877       6.027122 
1 1 1 -14 -1  13 o 38.642  1.6919  201.149   17.386    197.014   25.304    204.846   23.929    38.257  2.4827  39.027  2.2992  -0.7697029     3.383862 
1 1 1 -14 -1  14 o 224.586 4.3897  6799.73   263.819   6487.35   374.074   7108.87   372.127   219.417 6.3650  229.755 6.0469  -10.33885      8.779463 
1 1 1 -14 -1  15 o 373.600 7.0905  19006.97  708.878   18097.05  1003.19   19914.41  1001.82   364.516 10.275  382.685 9.7737  -18.16937      14.18094 
1 1 1 -14 -1  16 o 67.505  1.9424  609.684   34.946    698.797   50.727    529.190   48.211    72.193  2.6233  62.817  2.8654  9.376049       3.884895 
1 1 1 -14 -1  17 o 135.488 2.9220  2470.74   105.822   2319.37   151.002   2616.82   148.344   131.386 4.2909  139.590 3.9676  -8.203812      5.844093 
1 1 1 -14 -1  18 o 203.272 4.0411  5571.14   219.843   5348.86   312.377   5789.28   309.453   199.222 5.8540  207.322 5.5726  -8.100510      8.082293 
1 1 1 -14 -1  19 o 89.920  2.3693  1099.51   56.220    902.393   80.778    1284.69   78.295    81.981  3.6787  97.860  2.9870  -15.87881      4.738662 
1 1 1 -14 -1  20 o 68.220  2.0400  623.661   37.213    634.724   54.432    613.953   50.991    68.785  2.9544  67.656  2.8138  1.129478       4.079990 
1 1 1 -14 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -1  22 o 99.404  2.3649  1323.44   62.555    1543.73   90.980    1125.92   86.151    107.243 3.1673  91.564  3.5127  15.67924       4.729788 
1 1 1 -14 -1  23 o 106.228 2.5011  1515.24   71.106    1534.16   102.931   1497.97   98.344    106.856 3.5963  105.599 3.4770  1.256912       5.002286 
1 1 1 -14 -1  24 o 41.204  1.9596  229.348   21.321    225.430   32.137    232.427   28.494    40.869  2.9558  41.539  2.5737  -0.6705017     3.919227 
1 1 1 -14 -1  25 o 76.915  2.1955  796.749   45.055    773.500   66.150    816.867   61.535    75.853  3.2559  77.977  2.9462  -2.124252      4.391023 
1 1 1 -14 -1  26 o 69.614  2.1683  659.054   39.921    589.358   58.791    718.682   54.379    66.095  3.3316  73.133  2.7761  -7.037346      4.336583 
1 1 1 -14 -1  27 o 112.777 2.6250  1712.98   79.216    1781.26   115.185   1651.70   109.117   114.899 3.7427  110.655 3.6815  4.244125       5.249940 
1 1 1 -14 -1  28 o 43.690  2.0415  262.503   23.289    229.458   35.087    288.527   31.137    41.130  3.2103  46.250  2.5230  -5.120110      4.083039 
1 1 1 -14 -1  29 o 81.087  2.2067  881.592   47.764    971.480   71.047    807.458   64.521    84.831  3.1268  77.342  3.1146  7.489799       4.413333 
1 1 1 -14 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -1  31 o 33.802  2.0673  154.067   18.275    165.072   28.693    146.555   23.705    34.776  3.1134  32.828  2.7205  1.947975       4.134508 
1 1 1 -14 -1  32 o 67.423  2.1234  607.078   38.055    714.564   57.857    525.122   50.521    72.612  2.9748  62.233  3.0308  10.37911       4.246790 
1 1 1 -14 -1  33 f 44.487  2.1266  270.331   24.774    267.330   38.537    272.445   32.342    44.201  3.2784  44.774  2.7096  -0.5727043     4.253245 
1 1 1 -14 -1  34 o 32.823  2.4399  157.486   19.615    116.789   31.059    184.486   25.299    28.832  4.1406  36.813  2.5821  -7.980133      4.879709 
1 1 1 -14 -1  35 o 70.381  2.2293  667.729   41.694    753.204   64.075    604.961   54.909    74.201  3.2240  66.561  3.0799  7.640503       4.458658 
1 1 1 -14 -1  36 o 59.447  2.1902  478.785   34.398    533.403   53.490    440.272   44.917    62.243  3.2194  56.651  2.9705  5.592087       4.380460 
1 1 1 -14 -1  37 o 49.021  2.2739  332.912   29.019    332.816   46.081    332.975   37.356    48.840  3.5468  49.203  2.8467  -0.3627853     4.547895 
1 1 1 -14 -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 -1  39 o 44.577  2.3393  276.070   27.045    295.999   43.897    263.877   34.336    45.652  3.6196  43.502  2.9645  2.150021       4.678658 
1 1 1 -14 -1  40 o 35.171  2.5061  171.989   22.303    195.632   38.245    159.805   27.455    36.687  3.9545  33.655  3.0798  3.032330       5.012299 
1 1 1 -14 -1  41 o 12.627  3.2785  19.559    13.588    27.070    24.799    16.337    16.243    13.958  5.0968  11.296  4.1250  2.661234       6.556910 
1 1 1 -14 -1  42 o 12.138  3.2552  18.195    14.020    18.471    24.232    18.056    17.190    12.584  4.9341  11.692  4.2474  0.8919973      6.510388 
1 1 1 -14 -1  43 o 28.155  3.3262  121.042   22.431    128.924   40.307    117.506   26.997    28.062  5.5591  28.248  3.6537  -0.1860924     6.652341 
1 1 1 -14 -1  44 o 15.925  3.4255  23.903    16.384    84.386    32.512    3.3159    18.968    22.296  5.4824  9.5541  4.1085  12.74236       6.850973 
1 1 1 -14 0   1  o 161.186 3.2904  3487.51   141.957   3358.95   201.622   3613.90   199.904   158.232 4.7572  164.140 4.5469  -5.907410      6.580715 
1 1 1 -14 0   2  o 137.433 2.8949  2533.56   106.531   2482.62   151.546   2583.32   149.785   136.064 4.1583  138.802 4.0289  -2.737778      5.789894 
1 1 1 -14 0   3  o 79.363  2.0088  844.102   42.674    883.436   60.641    805.511   60.064    81.195  2.7883  77.530  2.8924  3.665337       4.017561 
1 1 1 -14 0   4  o 221.449 4.2707  6585.90   253.316   6610.87   358.657   6561.05   357.829   221.869 6.0352  221.030 6.0441  0.8383636      8.541413 
1 1 1 -14 0   5  f 290.579 5.4984  11362.32  427.918   11529.29  605.928   11196.19  604.409   292.717 7.7283  288.441 7.8232  4.276398       10.99679 
1 1 1 -14 0   6  o 248.238 4.7869  8284.31   318.246   8445.26   450.817   8124.43   449.324   250.649 6.7150  245.827 6.8240  4.822159       9.573834 
1 1 1 -14 0   7  o 313.146 5.8604  13214.94  491.248   13796.95  697.115   12640.83  692.369   320.031 8.1325  306.261 8.4403  13.77063       11.72074 
1 1 1 -14 0   8  o 526.577 9.8008  37818.27  1382.13   38599.57  1956.78   37040.41  1952.47   532.093 13.730  521.060 13.990  11.03333       19.60151 
1 1 1 -14 0   9  o 172.314 3.4512  3987.97   159.221   3886.16   226.246   4087.88   224.115   170.127 4.9650  174.502 4.7949  -4.374496      6.902339 
1 1 1 -14 0   10 o 407.187 7.5759  22499.67  825.838   23365.47  1169.63   21638.93  1166.20   415.094 10.520  399.279 10.905  15.81494       15.15183 
1 1 1 -14 0   11 o 125.951 5.5105  2132.47   185.900   2132.47   185.900   0.0000    0.0000    125.951 5.5105  ?       ?       ?              ?        
1 1 1 -14 0   12 o 279.875 5.3031  10569.32  397.542   10603.54  563.368   10535.39  561.058   280.325 7.5031  279.425 7.4964  0.9004211      10.60627 
1 1 1 -14 0   13 o 102.695 2.3629  1413.79   64.945    1494.43   93.023    1337.10   90.713    105.553 3.2903  99.837  3.3922  5.715508       4.725799 
1 1 1 -14 0   14 o 35.964  1.8305  178.877   16.985    135.865   24.680    217.577   23.411    31.694  2.9407  40.233  2.1806  -8.538446      3.660980 
1 1 1 -14 0   15 o 265.311 5.0977  9509.15   362.158   9282.44   513.432   9733.65   510.916   262.131 7.3127  268.491 7.1044  -6.360413      10.19549 
1 1 1 -14 0   16 o 137.232 2.9492  2533.91   108.217   2392.42   154.340   2670.74   151.775   133.443 4.3181  141.022 4.0182  -7.578735      5.898437 
1 1 1 -14 0   17 o 118.530 2.6191  1884.76   83.105    1975.91   119.205   1798.56   115.922   121.319 3.6684  115.741 3.7393  5.578110       5.238238 
1 1 1 -14 0   18 o 58.404  1.9112  456.408   29.851    475.396   43.713    439.816   40.863    59.538  2.7411  57.269  2.6639  2.269123       3.822322 
1 1 1 -14 0   19 o 83.773  2.1929  940.568   49.163    965.526   71.320    917.972   67.862    84.829  3.1389  82.717  3.0629  2.111664       4.385711 
1 1 1 -14 0   20 o 76.136  2.1208  775.131   43.176    834.083   63.109    723.260   59.198    78.849  2.9882  73.423  3.0101  5.425812       4.241506 
1 1 1 -14 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 0   22 f 121.543 2.7405  1987.46   89.098    1931.61   128.209   2039.62   123.908   119.877 3.9929  123.209 3.7546  -3.332047      5.480958 
1 1 1 -14 0   23 o 131.033 2.8305  2306.15   99.259    2440.41   143.034   2181.44   137.856   134.712 3.9641  127.354 4.0413  7.358444       5.660943 
1 1 1 -14 0   24 o 82.259  2.2485  911.807   49.338    873.296   72.197    945.550   67.581    80.611  3.3438  83.907  3.0070  -3.296448      4.497026 
1 1 1 -14 0   25 f 41.569  1.9614  230.053   21.562    260.897   32.933    206.914   28.525    43.982  2.8102  39.156  2.7370  4.826424       3.922830 
1 1 1 -14 0   26 o 77.426  2.2647  813.450   46.539    739.297   68.541    876.882   63.393    74.095  3.4536  80.757  2.9307  -6.662582      4.529497 
1 1 1 -14 0   27 o 45.377  1.9599  273.863   23.526    320.483   35.823    238.505   31.197    48.737  2.7555  42.017  2.7879  6.719883       3.919844 
1 1 1 -14 0   28 o 84.896  2.3580  981.867   53.084    884.266   78.167    1065.41   72.318    80.887  3.6079  88.904  3.0369  -8.016930      4.715942 
1 1 1 -14 0   29 o 39.455  2.0100  204.632   20.523    283.269   31.954    149.412   26.777    45.781  2.6167  33.130  3.0518  12.65068       4.020039 
1 1 1 -14 0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 0   31 o 60.946  2.0929  495.307   33.827    578.185   51.848    433.881   44.636    65.352  2.9620  56.539  2.9577  8.813389       4.185858 
1 1 1 -14 0   32 o 70.094  2.2290  666.378   41.535    673.577   62.824    660.787   55.361    70.373  3.3330  69.815  2.9605  0.5582123      4.457956 
1 1 1 -14 0   33 o 16.946  2.7929  44.990    12.958    19.863    20.915    60.642    16.507    12.974  4.6894  20.918  3.0348  -7.944443      5.585734 
1 1 1 -14 0   34 o 45.767  2.1195  278.611   25.473    337.833   40.282    239.146   32.883    49.713  3.0397  41.821  2.9545  7.891994       4.239018 
1 1 1 -14 0   35 o 28.688  2.5433  117.792   17.919    105.516   29.979    124.616   22.351    27.253  4.2451  30.123  2.8024  -2.870136      5.086654 
1 1 1 -14 0   36 o 14.642  3.0091  27.687    12.404    44.044    20.797    18.655    15.454    17.366  4.4506  11.918  4.0511  5.448014       6.018252 
1 1 1 -14 0   37 o 21.429  2.9967  63.394    15.869    79.145    27.728    55.722    19.351    23.201  4.6243  19.658  3.8127  3.542427       5.993436 
1 1 1 -14 0   38 o 67.280  2.8050  650.343   49.605    706.985   66.906    581.198   73.922    71.033  3.5166  63.528  4.3709  7.505127       5.609913 
1 1 1 -14 0   39 o 14.994  3.2171  34.530    14.015    24.369    24.903    39.240    16.956    13.722  5.0910  16.265  3.9347  -2.542987      6.434297 
1 1 1 -14 0   40 o 24.307  3.0986  88.950    18.028    87.321    32.161    89.696    21.769    23.607  5.2245  25.007  3.3330  -1.400112      6.197102 
1 1 1 -14 0   41 o 23.395  3.0835  77.679    17.521    98.679    31.768    68.498    21.005    25.251  4.8736  21.539  3.7788  3.711977       6.166997 
1 1 1 -14 0   42 o 30.196  2.8321  127.532   21.485    165.670   37.158    108.378   26.334    33.228  4.2741  27.164  3.7169  6.064121       5.664237 
1 1 1 -14 0   43 o 24.169  3.5918  94.867    20.952    91.452    38.062    96.352    25.097    22.939  6.0921  25.398  3.8065  -2.458515      7.183539 
1 1 1 -14 0   44 o 23.629  7.0536  110.936   48.045    0.0000    0.0000    110.936   48.045    ?       ?       23.629  7.0536  ?              ?        
1 1 1 -14 1   1  o 310.365 7.2998  13076.52  569.612   12775.95  988.407   13225.99  696.993   307.258 12.010  313.473 8.3012  -6.214966      14.59966 
1 1 1 -14 1   2  o 285.120 5.4128  10933.34  413.355   10834.97  585.007   11031.41  584.137   283.833 7.6950  286.407 7.6145  -2.574005      10.82563 
1 1 1 -14 1   3  o 167.700 3.3093  3772.11   148.501   3999.69   211.701   3551.64   208.363   172.685 4.5770  162.715 4.7808  9.970520       6.618549 
1 1 1 -14 1   4  o 177.918 3.5345  4257.63   167.973   3934.52   239.250   4571.72   235.886   171.230 5.2166  184.605 4.7705  -13.37572      7.068983 
1 1 1 -14 1   5  o 205.488 3.9682  5667.59   218.360   5841.62   311.023   5498.43   306.640   208.602 5.5665  202.374 5.6570  6.228256       7.936480 
1 1 1 -14 1   6  o 99.418  2.2658  1323.27   60.261    1419.41   86.710    1233.45   83.808    102.908 3.1458  95.928  3.2618  6.980423       4.531574 
1 1 1 -14 1   7  o 259.618 4.9139  9072.88   341.081   9746.01   483.978   8408.67   480.760   269.230 6.7114  250.006 7.1794  19.22438       9.827870 
1 1 1 -14 1   8  o 388.781 7.2646  20447.73  756.460   20702.42  1070.80   20194.01  1068.79   391.218 10.219  386.343 10.328  4.874786       14.52926 
1 1 1 -14 1   9  o 433.047 8.0741  25461.87  936.304   26121.95  1325.52   24804.56  1322.75   438.720 11.280  427.374 11.555  11.34528       16.14817 
1 1 1 -14 1   10 o 294.939 5.5608  11732.94  439.273   11906.75  622.424   11560.46  620.034   297.127 7.8209  292.751 7.9073  4.375397       11.12165 
1 1 1 -14 1   11 o 225.704 6.2100  6891.07   375.272   6732.92   533.877   7045.53   527.607   223.105 8.9339  228.302 8.6280  -5.196671      12.42007 
1 1 1 -14 1   12 o 161.252 3.3094  3495.37   142.823   3362.11   203.024   3625.93   200.956   158.196 4.7914  164.309 4.5662  -6.113052      6.618726 
1 1 1 -14 1   13 o 198.907 3.8869  5322.35   206.967   5560.25   294.207   5089.29   291.207   203.322 5.4023  194.491 5.5900  8.830704       7.773882 
1 1 1 -14 1   14 o 206.212 4.0973  5732.59   225.941   5382.57   320.654   6077.74   318.415   199.916 5.9883  212.509 5.5941  -12.59352      8.194680 
1 1 1 -14 1   15 o 119.240 2.6337  1908.20   84.098    1924.91   120.375   1892.28   117.542   119.748 3.7530  118.733 3.6960  1.015320       5.267406 
1 1 1 -14 1   16 f 157.329 3.2647  3330.70   137.430   3192.91   195.818   3464.44   192.926   154.103 4.7441  160.555 4.4862  -6.452026      6.529330 
1 1 1 -14 1   17 o 130.002 2.8073  2269.19   97.732    2302.80   139.960   2237.21   136.531   130.939 3.9907  129.065 3.9494  1.874435       5.614569 
1 1 1 -14 1   18 o 137.635 2.9586  2546.45   109.012   2504.41   155.944   2586.64   152.448   136.514 4.2648  138.755 4.1019  -2.240921      5.917282 
1 1 1 -14 1   19 o 113.028 2.6107  1716.99   78.946    1675.92   113.564   1755.39   109.825   111.710 3.7954  114.345 3.5858  -2.635025      5.221434 
1 1 1 -14 1   20 o 175.199 3.5366  4130.31   165.937   4206.16   237.002   4057.37   232.406   176.776 5.0054  173.622 4.9975  3.153488       7.073132 
1 1 1 -14 1   21 o 56.285  2.3473  431.664   34.239    451.301   44.104    401.878   54.319    58.000  2.8390  54.570  3.7388  3.429558       4.694519 
1 1 1 -14 1   22 f 110.894 2.5769  1651.10   76.487    1679.55   110.598   1625.02   105.894   111.804 3.6932  109.983 3.5946  1.820335       5.153738 
1 1 1 -14 1   23 o 98.199  2.3864  1291.33   62.638    1411.99   91.302    1184.05   86.095    102.523 3.3249  93.875  3.4240  8.647713       4.772713 
1 1 1 -14 1   24 o 57.185  1.9968  436.641   30.422    476.612   45.454    404.207   40.945    59.575  2.8486  54.795  2.7991  4.779911       3.993687 
1 1 1 -14 1   25 o 103.117 2.6161  1448.93   71.376    1237.88   103.557   1639.92   98.514    95.824  4.0347  110.409 3.3312  -14.58467      5.232226 
1 1 1 -14 1   26 o 40.939  1.9984  225.467   21.625    234.109   32.833    218.846   28.740    41.615  2.9650  40.264  2.6802  1.351105       3.996835 
1 1 1 -14 1   27 o 31.881  2.2156  144.833   17.669    108.071   27.049    172.193   23.335    28.055  3.6891  35.708  2.4548  -7.652916      4.431189 
1 1 1 -14 1   28 o 97.362  2.4512  1278.38   63.794    1323.56   93.823    1239.54   86.999    98.939  3.5404  95.785  3.3910  3.154388       4.902369 
1 1 1 -14 1   29 o 18.318  2.5653  45.702    11.955    54.894    19.113    39.796    15.321    19.802  3.7408  16.835  3.5114  2.966417       5.130667 
1 1 1 -14 1   30 o 68.370  2.1594  629.057   39.371    668.926   59.115    597.277   52.779    70.286  3.1401  66.454  2.9651  3.831291       4.318838 
1 1 1 -14 1   31 o 51.954  2.0884  364.952   28.635    378.697   44.147    354.969   37.623    52.749  3.1388  51.159  2.7558  1.590195       4.176894 
1 1 1 -14 1   32 o 22.605  2.5298  71.195    14.352    71.714    23.383    70.881    18.180    22.559  4.0170  22.650  3.0761  -0.9127426E-01 5.059531 
1 1 1 -14 1   33 o 27.014  2.3394  99.449    16.216    107.968   26.157    94.131    20.667    27.879  3.5859  26.150  3.0053  1.729652       4.678742 
1 1 1 -14 1   34 o 25.523  2.4473  86.715    15.866    109.588   26.415    73.807    19.844    28.039  3.6005  23.008  3.3158  5.030815       4.894695 
1 1 1 -14 1   35 o 44.603  2.2448  273.197   26.012    277.639   41.611    270.347   33.327    44.770  3.4978  44.435  2.8147  0.3349876      4.489645 
1 1 1 -14 1   36 o 46.946  2.2558  303.594   27.679    311.390   43.683    298.365   35.778    47.314  3.4711  46.579  2.8819  0.7350731      4.511534 
1 1 1 -14 1   37 o 42.674  4.8349  265.447   54.289    0.0000    0.0000    265.447   54.289    ?       ?       42.674  4.8349  ?              ?        
1 1 1 -14 1   38 o 18.938  3.1864  57.071    15.701    40.550    26.770    65.735    19.386    16.479  5.3232  21.398  3.5038  -4.918474      6.372838 
1 1 1 -14 1   39 o 46.060  2.4152  300.279   28.524    303.466   46.895    298.407   35.935    45.910  3.8491  46.211  2.9182  -0.3013725     4.830324 
1 1 1 -14 1   40 o 14.704  3.3403  31.911    14.189    32.533    25.838    31.643    16.978    14.898  5.2306  14.510  4.1559  0.3881359      6.680615 
1 1 1 -14 1   41 o 33.417  2.6737  156.856   22.356    183.753   39.117    143.809   27.244    35.131  4.2430  31.703  3.2546  3.428230       5.347481 
1 1 1 -14 1   42 o 23.446  3.6099  95.123    20.492    69.095    38.138    105.688   24.297    19.949  6.3443  26.943  3.4458  -6.994108      7.219718 
1 1 1 -14 1   43 o 34.325  3.1531  183.367   25.910    176.446   45.522    186.683   31.512    32.845  5.3592  35.805  3.3238  -2.959599      6.306252 
1 1 1 -14 1   44 o 19.163  8.2132  89.373    75.355    89.373    75.355    0.0000    0.0000    19.163  8.2132  ?       ?       ?              ?        
1 1 1 -14 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 2   2  o 189.240 5.2289  4805.33   265.042   0.0000    0.0000    4805.33   265.042   ?       ?       189.240 5.2289  ?              ?        
1 1 1 -14 2   3  o 59.945  1.7427  483.446   27.859    451.952   40.448    511.870   38.426    58.078  2.6001  61.811  2.3210  -3.733101      3.485347 
1 1 1 -14 2   4  o 90.136  2.1477  1086.92   51.792    1161.98   74.870    1018.03   71.721    93.116  3.0019  87.157  3.0723  5.959450       4.295370 
1 1 1 -14 2   5  o 138.895 2.8744  2588.11   106.710   2808.39   152.104   2374.62   149.744   144.724 3.9238  133.067 4.2014  11.65680       5.748737 
1 1 1 -14 2   6  o 146.273 3.0372  2871.50   118.913   2760.37   168.656   2981.36   167.685   143.452 4.3894  149.094 4.1990  -5.641983      6.074418 
1 1 1 -14 2   7  o 345.030 6.4491  16064.64  595.833   16523.85  843.742   15607.83  841.533   349.982 9.0007  340.077 9.2386  9.905121       12.89818 
1 1 1 -14 2   8  o 160.351 3.2868  3454.11   141.011   3283.20   200.130   3622.62   198.717   156.398 4.7774  164.303 4.5154  -7.905319      6.573649 
1 1 1 -14 2   9  o 370.505 6.9548  18580.82  690.022   18130.57  976.466   19029.92  975.214   365.971 9.9614  375.039 9.7081  -9.067505      13.90962 
1 1 1 -14 2   10 o 236.990 9.1820  7597.30   582.852   0.0000    0.0000    7597.30   582.852   ?       ?       236.990 9.1820  ?              ?        
1 1 1 -14 2   11 o 130.038 2.8128  2271.45   97.874    2179.61   139.388   2360.77   137.463   127.435 4.0836  132.640 3.8692  -5.204842      5.625547 
1 1 1 -14 2   12 o 254.084 4.8808  8705.65   332.115   8560.27   470.863   8849.57   468.509   251.954 6.9773  256.214 6.8270  -4.259476      9.761622 
1 1 1 -14 2   13 o 147.032 3.0599  2902.90   120.493   2951.56   171.782   2855.77   169.057   148.245 4.3262  145.819 4.3284  2.425705       6.119756 
1 1 1 -14 2   14 f 228.194 4.4216  7017.61   270.245   7037.12   383.727   6998.40   380.659   228.505 6.2696  227.883 6.2364  0.6219330      8.843114 
1 1 1 -14 2   15 o 42.244  1.8621  241.990   19.906    346.161   29.351    153.274   27.087    50.820  2.1563  33.667  3.0364  17.15287       3.724110 
1 1 1 -14 2   16 o 83.689  2.1587  938.464   48.359    971.417   69.891    908.197   66.981    85.096  3.0664  82.281  3.0392  2.814423       4.317357 
1 1 1 -14 2   17 o 26.355  1.9245  95.002    13.237    86.305    19.572    102.334   17.971    25.193  2.9566  27.517  2.4643  -2.324036      3.848942 
1 1 1 -14 2   18 o 205.918 4.0895  5718.51   225.413   5538.40   320.655   5894.48   316.942   202.682 5.9066  209.153 5.6575  -6.471375      8.178933 
1 1 1 -14 2   19 o 149.405 3.1748  3004.36   126.916   2901.91   181.529   3102.33   177.510   146.894 4.6137  151.916 4.3625  -5.021469      6.349617 
1 1 1 -14 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 2   21 o 92.491  2.3071  1144.93   57.055    1242.47   83.131    1058.08   78.448    96.206  3.2261  88.776  3.2991  7.430008       4.614266 
1 1 1 -14 2   22 o 132.293 2.9552  2361.77   104.379   2201.28   150.022   2512.34   145.318   127.894 4.3794  136.691 3.9691  -8.797081      5.910403 
1 1 1 -14 2   23 o 70.719  2.1324  673.689   40.194    647.960   59.202    695.690   54.745    69.452  3.1825  71.987  2.8392  -2.534790      4.264883 
1 1 1 -14 2   24 o 60.263  2.0279  486.432   32.603    502.745   48.645    473.128   43.929    61.171  2.9689  59.355  2.7632  1.816402       4.055830 
1 1 1 -14 2   25 o 61.675  2.0621  507.512   33.928    556.542   50.815    468.071   45.576    64.340  2.9486  59.010  2.8835  5.330185       4.124156 
1 1 1 -14 2   26 o 48.120  1.9946  311.370   25.406    321.585   38.596    303.559   33.749    48.797  2.9670  47.443  2.6666  1.353443       3.989244 
1 1 1 -14 2   27 f 25.852  2.2940  93.992    14.958    79.841    23.232    104.012   19.550    24.028  3.7307  27.675  2.6705  -3.646807      4.588013 
1 1 1 -14 2   28 o 48.437  2.0396  317.185   26.075    319.650   39.849    315.340   34.481    48.567  3.0792  48.307  2.6753  0.2600517      4.079101 
1 1 1 -14 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 2   30 o 52.040  2.0577  359.368   28.245    435.851   43.810    304.966   36.949    56.691  2.8948  47.389  2.9253  9.302410       4.115454 
1 1 1 -14 2   31 o 13.940  2.7458  28.680    11.099    14.726    18.334    36.753    13.945    11.723  4.3644  16.156  3.3330  -4.433165      5.491534 
1 1 1 -14 2   32 o 52.360  2.1422  371.590   29.594    386.951   45.664    360.466   38.860    53.233  3.2177  51.486  2.8287  1.747002       4.284330 
1 1 1 -14 2   33 o 9.3854  2.6960  4.5249    10.051    9.2092    17.597    2.2571    12.244    10.620  4.1918  8.1504  3.3915  2.470057       5.392004 
1 1 1 -14 2   34 o 24.371  2.5504  79.826    15.645    97.658    26.401    70.176    19.422    26.342  3.8561  22.401  3.3389  3.940645       5.100770 
1 1 1 -14 2   35 f 39.366  2.2538  208.161   23.015    241.953   37.713    188.108   29.052    41.773  3.4001  36.960  2.9594  4.812153       4.507654 
1 1 1 -14 2   36 o 34.805  2.4511  169.594   21.752    169.391   35.580    169.715   27.486    34.586  3.9094  35.024  2.9577  -0.4377823     4.902172 
1 1 1 -14 2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 2   38 o 15.568  3.2341  37.928    14.526    24.157    25.859    44.277    17.559    13.811  5.1751  17.325  3.8802  -3.514245      6.468233 
1 1 1 -14 2   39 o 8.2635  2.6338  -4.8113   11.671    -20.4829  22.815    0.7432    13.583    8.3879  3.9476  8.1392  3.4877  0.2486544      5.267552 
1 1 1 -14 2   40 o 15.372  3.3558  33.163    14.558    47.698    25.491    26.128    17.735    17.403  5.1238  13.341  4.3349  4.061467       6.711535 
1 1 1 -14 2   41 o 34.923  2.8378  181.894   24.392    173.509   41.446    186.337   30.170    33.682  4.7239  36.165  3.1460  -2.482166      5.675613 
1 1 1 -14 2   42 o 31.128  3.4271  156.732   24.721    135.897   44.085    166.288   29.856    28.370  5.9897  33.887  3.3324  -5.517450      6.854281 
1 1 1 -14 2   43 o 11.535  3.4084  12.806    16.533    2.4442    32.858    16.319    19.132    11.677  5.2008  11.393  4.4070  0.2842407      6.816898 
1 1 1 -14 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 3   3  o 433.502 8.0983  25409.09  940.307   25557.75  1331.69   25261.28  1327.90   434.773 11.435  432.231 11.470  2.541382       16.19657 
1 1 1 -14 3   4  o 181.895 3.6235  4447.30   176.124   4105.02   249.414   4787.74   248.742   174.888 5.3244  188.902 4.9161  -14.01419      7.246917 
1 1 1 -14 3   5  o 235.099 4.5225  7427.67   284.741   7290.40   403.234   7564.21   402.137   232.924 6.4633  237.274 6.3275  -4.350342      9.044999 
1 1 1 -14 3   6  o 549.874 10.235  41230.16  1507.46   40994.23  2132.48   41465.81  2131.25   548.271 14.521  551.478 14.428  -3.207581      20.47050 
1 1 1 -14 3   7  o 126.986 2.7254  2162.25   92.684    2217.05   131.935   2108.85   130.231   128.575 3.8310  125.396 3.8774  3.178963       5.450778 
1 1 1 -14 3   8  o 239.517 4.5707  7718.10   293.044   8061.95   415.714   7378.47   413.152   244.840 6.3390  234.193 6.5864  10.64722       9.141324 
1 1 1 -14 3   9  o 203.305 3.9827  5555.73   216.868   5539.30   307.790   5571.94   305.617   203.003 5.6606  203.607 5.6040  -0.6044769     7.965361 
1 1 1 -14 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 3   11 o 116.152 2.5803  1809.19   80.228    1897.62   114.751   1724.64   112.212   118.929 3.6023  113.374 3.6952  5.555183       5.160501 
1 1 1 -14 3   12 o 245.260 4.7006  8109.27   308.644   8437.70   438.219   7785.98   434.779   250.214 6.5387  240.306 6.7548  9.908188       9.401196 
1 1 1 -14 3   13 o 180.196 3.6425  4370.08   175.669   4206.33   249.816   4530.27   247.073   176.836 5.2742  183.556 5.0254  -6.719925      7.285051 
1 1 1 -14 3   14 o 122.715 2.7058  2022.16   88.899    2003.92   127.247   2039.56   124.250   122.169 3.8886  123.261 3.7634  -1.091545      5.411528 
1 1 1 -14 3   15 o 128.850 2.7712  2228.27   95.442    2430.93   136.915   2036.70   133.115   134.557 3.7989  123.144 4.0358  11.41325       5.542471 
1 1 1 -14 3   16 o 203.483 4.0587  5584.72   220.952   5317.59   314.197   5846.06   310.776   198.628 5.9057  208.337 5.5692  -9.709732      8.117475 
1 1 1 -14 3   17 o 102.055 2.4299  1396.60   66.386    1440.91   95.844    1355.73   92.041    103.609 3.4537  100.502 3.4191  3.106827       4.859856 
1 1 1 -14 3   18 o 217.806 4.2361  6396.64   247.008   6677.50   351.953   6124.02   346.749   222.539 5.9046  213.074 6.0757  9.464584       8.472204 
1 1 1 -14 3   19 f 156.185 3.2410  3278.59   135.529   3411.47   194.279   3152.62   189.157   159.270 4.5541  153.100 4.6127  6.169754       6.482052 
1 1 1 -14 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 3   21 o 62.400  2.0396  522.346   33.983    524.528   50.128    520.490   46.228    62.516  2.9936  62.284  2.7710  0.2315979      4.079259 
1 1 1 -14 3   22 o 109.092 2.6566  1610.26   77.127    1452.83   111.589   1754.26   106.723   103.925 4.0088  114.259 3.4872  -10.33444      5.313264 
1 1 1 -14 3   23 o 61.991  2.0214  511.898   33.428    570.675   49.939    464.182   44.995    65.189  2.8600  58.793  2.8573  6.396122       4.042737 
1 1 1 -14 3   24 o 69.944  2.1473  657.950   40.042    654.053   59.463    661.184   54.164    69.742  3.1832  70.147  2.8828  -0.4047470     4.294577 
1 1 1 -14 3   25 o 46.720  2.0191  295.353   24.932    288.279   37.517    300.948   33.366    46.191  3.0495  47.250  2.6471  -1.058521      4.038177 
1 1 1 -14 3   26 o 34.222  2.0414  157.874   18.314    164.180   28.396    153.383   23.965    34.779  3.0800  33.664  2.6800  1.115559       4.082765 
1 1 1 -14 3   27 o 16.689  2.5461  36.399    11.000    56.537    17.880    24.137    13.953    20.184  3.4301  13.194  3.7636  6.989915       5.092150 
1 1 1 -14 3   28 o 14.738  2.6798  30.374    10.497    31.551    16.528    29.578    13.589    14.983  4.0305  14.492  3.5328  0.4902687      5.359657 
1 1 1 -14 3   29 o 28.638  4.5886  114.998   34.010    114.998   34.010    0.0000    0.0000    28.638  4.5886  ?       ?       ?              ?        
1 1 1 -14 3   30 o 33.358  2.2241  154.429   19.061    141.730   29.981    163.044   24.694    32.086  3.5479  34.631  2.6831  -2.544159      4.448226 
1 1 1 -14 3   31 o 32.922  2.2947  151.548   19.258    136.413   30.543    161.536   24.812    31.400  3.7028  34.443  2.7114  -3.043068      4.589379 
1 1 1 -14 3   32 o 53.397  2.2066  391.274   30.838    378.258   47.968    400.443   40.261    52.529  3.4281  54.266  2.7793  -1.736572      4.413143 
1 1 1 -14 3   33 o 10.209  2.7439  9.8732    10.846    -3.1540   18.475    16.723    13.397    9.1160  3.9859  11.303  3.7722  -2.186587      5.487887 
1 1 1 -14 3   34 o 61.132  2.2684  511.101   36.570    525.315   56.772    501.020   47.812    61.702  3.4490  60.562  2.9474  1.140324       4.536823 
1 1 1 -14 3   35 o 17.719  3.1056  47.785    14.528    36.463    24.197    54.168    18.167    15.954  5.0513  19.483  3.6144  -3.528146      6.211271 
1 1 1 -14 3   36 o 24.123  3.4011  82.277    21.365    0.0000    0.0000    82.277    21.365    ?       ?       24.123  3.4011  ?              ?        
1 1 1 -14 3   37 o 38.703  2.5160  214.313   24.472    203.834   40.827    220.189   30.572    37.600  4.1215  39.807  2.8869  -2.207397      5.031997 
1 1 1 -14 3   38 o 17.697  3.3666  47.259    15.320    48.130    28.591    46.908    18.145    17.598  5.4791  17.795  3.9133  -0.1965675     6.733108 
1 1 1 -14 3   39 o 31.514  2.7398  143.111   21.585    150.623   36.585    139.101   26.733    31.771  4.4189  31.256  3.2402  0.5143261      5.479527 
1 1 1 -14 3   40 o 9.0072  2.7917  -1.5232   12.985    -22.5236  24.373    6.8000    15.344    8.5543  4.0423  9.4602  3.8517  -0.9059258     5.583481 
1 1 1 -14 3   41 o 30.197  2.9961  132.843   22.416    151.879   38.933    123.404   27.416    31.337  4.7906  29.058  3.5995  2.279421       5.992204 
1 1 1 -14 3   42 o 9.2657  2.9615  -25.6175  13.275    22.655    28.711    -38.7429  14.971    13.362  5.3287  5.1699  2.5857  8.191679       5.922959 
1 1 1 -14 3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 4   2  o 159.943 4.8853  3502.62   204.120   2694.60   291.346   4281.60   286.064   141.322 7.7260  178.564 5.9811  -37.24106      9.770638 
1 1 1 -14 4   3  o 300.616 5.6409  12165.54  453.935   12673.85  643.210   11661.15  640.720   306.902 7.8246  294.330 8.1273  12.57132       11.28172 
1 1 1 -14 4   4  f 332.016 6.2256  14857.70  553.556   14569.65  783.490   15144.81  782.205   328.780 8.8969  335.251 8.7109  -6.470978      12.45126 
1 1 1 -14 4   5  o 138.637 2.9061  2577.53   107.908   2612.44   153.506   2543.43   151.719   139.565 4.1064  137.709 4.1133  1.856125       5.812172 
1 1 1 -14 4   6  o 292.543 5.5141  11527.58  431.960   11855.03  612.176   11202.89  609.598   296.701 7.7032  288.385 7.8919  8.315582       11.02817 
1 1 1 -14 4   7  o 315.330 5.9341  13412.32  501.194   13521.41  710.042   13304.00  707.554   316.613 8.3727  314.047 8.4115  2.566132       11.86829 
1 1 1 -14 4   8  o 117.143 2.6043  1841.81   81.657    1791.83   116.563   1889.97   114.428   115.578 3.7653  118.709 3.5988  -3.130981      5.208553 
1 1 1 -14 4   9  o 123.153 2.7403  2042.38   90.019    1850.36   128.359   2228.22   126.278   117.424 4.0811  128.882 3.6580  -11.45855      5.480570 
1 1 1 -14 4   10 o 43.836  3.5442  259.463   41.259    259.463   41.259    0.0000    0.0000    43.836  3.5442  ?       ?       ?              ?        
1 1 1 -14 4   11 o 24.808  1.8772  86.332    11.761    63.556    17.240    106.161   16.086    21.554  3.0732  28.063  2.1566  -6.508972      3.754370 
1 1 1 -14 4   12 o 181.980 3.7719  4476.57   182.671   3916.63   259.431   5027.16   257.254   170.585 5.6780  193.375 4.9668  -22.78999      7.543738 
1 1 1 -14 4   13 o 114.729 2.5609  1765.40   78.470    1954.52   112.819   1588.18   109.215   120.685 3.4901  108.772 3.7487  11.91323       5.121849 
1 1 1 -14 4   14 o 156.406 3.9209  3278.65   154.567   3338.12   269.781   3249.59   188.588   157.318 6.4024  155.493 4.5281  1.824844       7.841836 
1 1 1 -14 4   15 o 130.055 2.7419  2271.47   95.500    2221.97   134.723   2321.46   135.393   128.628 3.9104  131.482 3.8445  -2.854324      5.483724 
1 1 1 -14 4   16 o 141.585 2.9786  2693.79   112.938   2627.65   159.330   2760.58   160.109   139.834 4.2540  143.337 4.1703  -3.502838      5.957160 
1 1 1 -14 4   17 o 149.092 3.0916  2988.14   123.453   3017.85   174.330   2958.25   174.850   149.839 4.3437  148.345 4.4005  1.494095       6.183222 
1 1 1 -14 4   18 o 176.303 3.5261  4183.38   166.513   4171.49   235.205   4195.34   235.766   176.052 4.9879  176.555 4.9855  -0.5029907     7.052286 
1 1 1 -14 4   19 o 91.262  4.7303  1123.61   115.232   0.0000    0.0000    1123.61   115.232   ?       ?       91.262  4.7303  ?              ?        
1 1 1 -14 4   20 o 224.419 5.5078  6886.10   309.927   6699.43   539.581   6978.01   378.612   221.577 9.0916  227.261 6.2199  -5.683624      11.01566 
1 1 1 -14 4   21 o 30.510  2.0290  122.989   16.105    158.395   24.866    97.405    21.138    34.249  2.7334  26.771  2.9994  7.477770       4.058055 
1 1 1 -14 4   22 o 80.248  2.2335  865.617   47.869    857.436   70.241    872.711   65.410    79.884  3.2828  80.612  3.0294  -0.7280121     4.466995 
1 1 1 -14 4   23 o 16.183  2.5881  34.357    11.233    56.538    17.621    19.173    14.579    20.237  3.3693  12.130  3.9294  8.107073       5.176141 
1 1 1 -14 4   24 o 71.401  2.1439  679.482   40.817    767.567   61.036    608.225   54.897    75.551  3.0162  67.251  3.0476  8.300552       4.287810 
1 1 1 -14 4   25 o 31.441  2.0820  133.312   17.101    139.353   26.655    129.086   22.294    32.018  3.1488  30.864  2.7247  1.153688       4.164026 
1 1 1 -14 4   26 o 45.897  2.0240  283.551   24.520    293.447   37.628    276.246   32.327    46.567  3.0334  45.228  2.6804  1.338631       4.047962 
1 1 1 -14 4   27 o 37.191  2.0811  189.061   20.167    180.455   31.298    195.171   26.371    36.405  3.2436  37.978  2.6083  -1.572319      4.162247 
1 1 1 -14 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 4   29 o 44.612  2.0580  267.092   24.237    294.377   37.441    247.410   31.799    46.533  3.0203  42.691  2.7964  3.842110       4.116031 
1 1 1 -14 4   30 o 26.162  2.3656  93.977    15.763    96.832    25.485    92.208    20.060    26.399  3.7064  25.925  2.9408  0.4732227      4.731295 
1 1 1 -14 4   31 o 33.844  2.3166  161.007   19.869    142.423   31.782    172.930   25.458    32.051  3.7745  35.636  2.6868  -3.585251      4.633113 
1 1 1 -14 4   32 o 61.772  2.2097  515.461   36.096    555.317   56.056    487.230   47.178    63.693  3.2971  59.852  2.9429  3.840851       4.419434 
1 1 1 -14 4   33 f 51.937  2.2477  371.108   30.571    365.495   47.643    375.036   39.859    51.478  3.4757  52.395  2.8509  -0.9175148     4.495328 
1 1 1 -14 4   34 o 40.278  2.3936  229.827   24.444    206.056   39.556    244.513   31.091    38.317  3.9090  42.238  2.7634  -3.921295      4.787112 
1 1 1 -14 4   35 o 27.434  2.6080  103.886   18.102    117.302   30.171    96.340    22.627    28.659  4.0427  26.210  3.2960  2.448746       5.216088 
1 1 1 -14 4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 4   37 o 35.082  2.6611  179.213   23.102    166.598   38.914    186.079   28.708    33.675  4.4211  36.489  2.9629  -2.813515      5.322143 
1 1 1 -14 4   38 o 23.717  3.1379  83.984    18.157    85.770    31.583    83.102    22.191    23.469  5.1645  23.966  3.5655  -0.4971485     6.275727 
1 1 1 -14 4   39 o 11.454  3.1964  14.083    13.716    8.4406    25.883    16.287    16.174    11.626  4.8909  11.281  4.1167  0.3454599      6.392771 
1 1 1 -14 4   40 o 45.325  2.4795  281.974   28.852    351.928   49.148    245.189   35.640    49.195  3.7584  41.456  3.2353  7.739109       4.959066 
1 1 1 -14 4   41 o 9.3731  2.9506  -12.1154  13.973    15.084    25.854    -23.3378  16.607    12.225  4.9910  6.5214  3.1489  5.703447       5.901286 
1 1 1 -14 4   42 o 13.666  3.6611  26.426    17.095    30.229    32.493    24.971    20.102    14.399  5.6919  12.933  4.6062  1.465390       7.322255 
1 1 1 -14 5   1  o 306.452 7.9425  12640.00  651.937   0.0000    0.0000    12640.00  651.937   ?       ?       306.452 7.9425  ?              ?        
1 1 1 -14 5   2  o 302.270 5.7446  12314.41  464.383   11539.74  657.112   13087.32  656.363   292.711 8.3813  311.828 7.8585  -19.11658      11.48921 
1 1 1 -14 5   3  o 311.367 5.8869  13063.24  490.802   12704.73  695.234   13419.43  692.970   307.079 8.4526  315.655 8.1962  -8.575623      11.77390 
1 1 1 -14 5   4  o 222.010 4.2345  6622.76   251.742   6439.01   355.580   6807.42   356.456   218.913 6.0642  225.107 5.9119  -6.193726      8.469091 
1 1 1 -14 5   5  o 279.663 5.2424  10529.43  392.668   10377.90  554.771   10681.56  555.865   277.637 7.4601  281.688 7.3674  -4.050995      10.48483 
1 1 1 -14 5   6  o 157.092 3.2118  3312.32   135.098   3204.72   190.551   3421.06   191.568   154.522 4.6039  159.662 4.4795  -5.139801      6.423590 
1 1 1 -14 5   7  o 201.043 3.9645  5432.70   213.460   5515.05   301.463   5349.88   302.295   202.577 5.5559  199.508 5.6569  3.069199       7.929000 
1 1 1 -14 5   8  o 140.601 2.9415  2653.12   110.774   2651.40   156.192   2654.86   157.128   140.556 4.1488  140.646 4.1710  -0.9027100E-01 5.882969 
1 1 1 -14 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 5   10 o 163.099 3.3001  3573.74   144.158   3514.24   203.365   3633.83   204.380   161.732 4.6945  164.467 4.6395  -2.734894      6.600266 
1 1 1 -14 5   11 o 101.880 2.3980  1392.46   65.435    1380.50   92.121    1404.65   92.963    101.438 3.3905  102.322 3.3920  -0.8831635     4.795973 
1 1 1 -14 5   12 o 141.485 2.9373  2688.40   111.308   2653.89   156.954   2723.32   157.877   140.570 4.1686  142.400 4.1392  -1.829910      5.874551 
1 1 1 -14 5   13 o 231.833 4.4526  7248.11   276.416   7046.23   390.275   7451.30   391.550   228.574 6.3746  235.093 6.2181  -6.518112      8.905103 
1 1 1 -14 5   14 o 142.573 2.9411  2730.75   112.312   2711.26   158.368   2750.48   159.304   142.061 4.1620  143.085 4.1566  -1.024475      5.882173 
1 1 1 -14 5   15 o 180.250 3.6465  4373.19   176.044   4404.97   248.561   4341.20   249.370   180.912 5.1295  179.588 5.1842  1.323608       7.292971 
1 1 1 -14 5   16 o 103.920 2.4050  1449.64   66.936    1458.21   94.242    1440.91   95.089    104.232 3.3756  103.608 3.4265  0.6235199      4.809936 
1 1 1 -14 5   17 o 171.523 3.5040  3959.56   160.970   3999.27   227.247   3919.56   228.048   172.392 4.9214  170.655 4.9891  1.737808       7.007931 
1 1 1 -14 5   18 o 168.100 3.4173  3802.61   153.865   3795.33   217.197   3809.93   218.001   167.939 4.8285  168.261 4.8371  -0.3212891     6.834623 
1 1 1 -14 5   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 5   20 o 120.381 2.6214  1947.26   84.511    1902.59   119.009   1992.70   120.030   118.986 3.7342  121.777 3.6799  -2.791115      5.242708 
1 1 1 -14 5   21 o 161.478 3.3971  3516.33   146.869   3625.94   207.439   3406.16   207.971   164.020 4.7218  158.936 4.8853  5.084183       6.794213 
1 1 1 -14 5   22 o 134.653 2.9244  2442.74   105.468   2460.53   148.817   2424.78   149.494   135.150 4.1110  134.155 4.1603  0.9948883      5.848794 
1 1 1 -14 5   23 o 99.666  2.3945  1337.25   63.895    1376.11   90.049    1297.85   90.676    101.134 3.3243  98.199  3.4474  2.934875       4.789097 
1 1 1 -14 5   24 o 115.326 2.6418  1793.83   81.597    1760.96   114.993   1827.16   115.802   114.258 3.7575  116.395 3.7144  -2.137497      5.283544 
1 1 1 -14 5   25 o 44.648  1.8564  269.434   22.068    281.705   30.908    256.673   31.519    45.702  2.5349  43.594  2.7128  2.107159       3.712816 
1 1 1 -14 5   26 o 48.229  1.8772  314.000   24.149    305.361   33.723    323.094   34.599    47.546  2.6587  48.913  2.6508  -1.366402      3.754355 
1 1 1 -14 5   27 o 39.368  1.8938  210.090   19.834    216.782   27.833    203.187   28.271    40.019  2.6109  38.717  2.7439  1.302490       3.787617 
1 1 1 -14 5   28 o 38.304  2.5862  198.872   26.379    198.872   26.379    0.0000    0.0000    38.304  2.5862  ?       ?       ?              ?        
1 1 1 -14 5   29 f 61.268  2.6700  516.882   39.662    504.649   72.597    522.087   47.353    60.427  4.5180  62.108  2.8465  -1.680866      5.339943 
1 1 1 -14 5   30 o 54.094  2.1869  401.113   31.089    382.886   47.575    414.697   41.071    52.924  3.3736  55.263  2.7836  -2.338844      4.373756 
1 1 1 -14 5   31 o 83.215  2.4204  944.803   53.528    953.444   81.034    938.113   71.297    83.453  3.6252  82.976  3.2080  0.4777527      4.840807 
1 1 1 -14 5   32 o 52.284  2.2512  378.133   30.707    356.264   47.765    393.537   40.088    50.842  3.5294  53.726  2.7954  -2.883350      4.502324 
1 1 1 -14 5   33 o 55.927  2.3698  441.433   34.145    380.903   53.345    483.444   44.442    52.312  3.8339  59.543  2.7866  -7.230976      4.739633 
1 1 1 -14 5   34 f 33.367  2.4225  151.625   20.664    170.592   34.516    141.028   25.799    34.831  3.7593  31.902  3.0566  2.928961       4.845094 
1 1 1 -14 5   35 o 43.160  2.9393  257.739   33.777    0.0000    0.0000    257.739   33.777    ?       ?       43.160  2.9393  ?              ?        
1 1 1 -14 5   36 o 14.530  3.1508  32.200    13.693    18.402    24.345    38.585    16.562    12.865  4.9728  16.196  3.8706  -3.330444      6.301561 
1 1 1 -14 5   37 o 14.721  3.2872  32.322    14.155    28.672    24.672    34.113    17.281    14.330  5.1031  15.112  4.1449  -0.7815027     6.574327 
1 1 1 -14 5   38 o 8.6399  2.6268  -3.7715   12.327    -34.9757  22.069    10.377    14.861    7.2798  3.5424  9.9999  3.8796  -2.720103      5.253585 
1 1 1 -14 5   39 f 56.933  2.4935  455.327   36.734    507.420   60.765    425.326   46.114    59.073  3.8616  54.792  3.1555  4.281223       4.986918 
1 1 1 -14 5   40 f 28.098  3.1865  115.909   21.679    134.741   39.063    107.528   26.060    29.154  5.1927  27.041  3.6947  2.113127       6.373035 
1 1 1 -14 5   41 o 23.339  3.5691  88.219    20.445    88.193    36.347    88.230    24.727    22.545  5.9370  24.133  3.9629  -1.588144      7.138148 
1 1 1 -14 5   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 6   1  o 209.415 4.0224  5890.08   225.574   5733.65   318.209   6048.10   319.817   206.614 5.7500  212.217 5.6264  -5.602997      8.044798 
1 1 1 -14 6   2  o 351.456 6.6492  16674.22  625.916   16515.04  884.732   16833.71  885.625   349.764 9.4438  353.147 9.3628  -3.382385      13.29840 
1 1 1 -14 6   3  f 543.522 10.138  40330.16  1475.90   40575.60  2087.41   40084.82  2087.06   545.207 14.294  541.838 14.381  3.369446       20.27616 
1 1 1 -14 6   4  o 93.866  2.2179  1181.35   55.747    1212.18   78.818    1150.49   78.859    95.092  3.0945  92.639  3.1781  2.453552       4.435798 
1 1 1 -14 6   5  o 201.039 3.9457  5431.71   212.421   5562.67   300.346   5300.63   300.472   203.473 5.5110  198.606 5.6484  4.866501       7.891420 
1 1 1 -14 6   6  o 60.231  1.8481  486.377   29.806    497.108   41.980    475.468   42.327    60.902  2.5735  59.560  2.6532  1.341724       3.696257 
1 1 1 -14 6   7  o 207.322 3.9955  5779.38   221.870   5790.53   313.475   5768.19   314.070   207.524 5.6396  207.120 5.6613  0.4038544      7.990927 
1 1 1 -14 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 6   9  o 251.324 4.8235  8516.61   324.698   8532.75   458.852   8500.43   459.534   251.566 6.8098  251.083 6.8330  0.4826202      9.646910 
1 1 1 -14 6   10 o 257.739 4.8948  8963.94   337.828   8720.99   477.169   9208.10   478.355   254.214 7.0078  261.265 6.8357  -7.051208      9.789587 
1 1 1 -14 6   11 o 83.567  2.1502  937.211   48.099    969.601   67.761    904.317   68.287    85.026  2.9754  82.108  3.1050  2.917610       4.300463 
1 1 1 -14 6   12 o 25.798  1.7148  89.924    11.698    84.693    16.290    95.493    16.809    25.014  2.4634  26.583  2.3861  -1.569313      3.429546 
1 1 1 -14 6   13 o 169.453 3.4748  3862.40   157.707   3810.34   222.627   3914.83   223.439   168.303 4.9385  170.603 4.8897  -2.299454      6.949691 
1 1 1 -14 6   14 o 125.979 2.7499  2131.48   92.788    2113.43   130.864   2149.73   131.584   125.442 3.8948  126.516 3.8830  -1.073944      5.499773 
1 1 1 -14 6   15 o 82.521  2.1546  914.210   47.591    946.065   67.000    881.771   67.612    83.976  2.9787  81.066  3.1138  2.910179       4.309146 
1 1 1 -14 6   16 o 57.931  1.9370  452.272   29.872    494.357   41.968    409.060   42.527    60.716  2.5807  55.146  2.8892  5.570328       3.873904 
1 1 1 -14 6   17 o 47.287  1.8782  301.003   23.678    306.973   33.116    294.758   33.867    47.773  2.5978  46.800  2.7134  0.9723473      3.756430 
1 1 1 -14 6   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 6   19 o 170.220 3.5032  3903.48   159.696   3812.16   225.323   3995.64   226.369   168.210 5.0011  172.230 4.9070  -4.019577      7.006412 
1 1 1 -14 6   20 o 159.628 3.3034  3432.93   141.237   3405.99   199.260   3460.12   200.223   158.997 4.6789  160.258 4.6645  -1.261276      6.606768 
1 1 1 -14 6   21 o 157.997 3.3116  3367.25   140.144   3371.97   197.783   3362.51   198.607   158.111 4.6702  157.883 4.6965  0.2282562      6.623260 
1 1 1 -14 6   22 o 101.887 2.4617  1396.95   67.177    1396.91   94.616    1396.98   95.395    101.888 3.4670  101.887 3.4956  0.1312256E-02  4.923333 
1 1 1 -14 6   23 o 187.290 3.7623  4761.61   188.731   4714.97   266.485   4808.55   267.328   186.361 5.3386  188.219 5.3026  -1.857468      7.524543 
1 1 1 -14 6   24 o 60.288  1.9665  488.967   31.753    486.760   44.638    491.228   45.178    60.152  2.7706  60.425  2.7914  -0.2734375     3.932953 
1 1 1 -14 6   25 o 54.682  1.9176  403.451   28.010    414.638   39.181    391.758   40.058    55.502  2.6356  53.862  2.7861  1.639679       3.835232 
1 1 1 -14 6   26 o 61.584  1.9968  511.610   32.930    514.481   46.128    508.627   47.024    61.766  2.7882  61.402  2.8592  0.3633461      3.993647 
1 1 1 -14 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 6   28 o 59.072  1.9850  473.374   31.273    508.704   44.106    437.657   44.347    61.355  2.6838  56.789  2.9254  4.566059       3.970042 
1 1 1 -14 6   29 o 63.415  2.0203  545.025   34.299    560.782   48.324    529.028   48.692    64.353  2.8035  62.478  2.9096  1.875008       4.040514 
1 1 1 -14 6   30 o 91.300  2.3445  1136.08   57.333    1136.61   80.805    1135.54   81.359    91.327  3.3033  91.272  3.3279  0.5461121E-01  4.689044 
1 1 1 -14 6   31 o 55.272  1.9999  416.091   29.503    406.852   41.246    425.771   42.218    54.642  2.8279  55.901  2.8288  -1.258759      3.999870 
1 1 1 -14 6   32 o 9.5409  2.5127  8.6094    8.9012    2.4386    12.330    15.326    12.863    8.1873  3.4048  10.894  3.6961  -2.707123      5.025301 
1 1 1 -14 6   33 o 40.209  1.9824  221.836   21.196    209.141   29.611    235.178   30.354    39.007  2.8540  41.411  2.7523  -2.404613      3.964873 
1 1 1 -14 6   34 o 67.172  2.3220  611.856   41.184    700.511   65.257    553.171   53.093    71.034  3.4298  63.310  3.1310  7.724072       4.644012 
1 1 1 -14 6   35 o 19.351  5.2347  57.154    27.788    57.154    27.788    0.0000    0.0000    19.351  5.2347  ?       ?       ?              ?        
1 1 1 -14 6   36 o 19.132  3.2660  54.759    15.846    57.116    27.575    53.597    19.363    19.190  5.2244  19.075  3.9208  0.1141167      6.531947 
1 1 1 -14 6   37 o 10.527  3.0431  8.8572    13.209    2.2059    23.452    11.948    15.986    10.560  4.5546  10.494  4.0370  0.6547546E-01  6.086239 
1 1 1 -14 6   38 o 32.678  2.6822  146.901   22.159    188.833   38.294    125.792   27.170    35.831  4.0619  29.526  3.5039  6.304543       5.364370 
1 1 1 -14 6   39 o 22.198  3.4916  77.497    18.941    76.626    34.492    77.873    22.664    21.470  5.8422  22.927  3.8254  -1.457304      6.983183 
1 1 1 -14 6   40 o 21.808  3.5636  67.832    18.810    102.390   36.144    54.996    22.028    24.872  5.5646  18.745  4.4533  6.126757       7.127195 
1 1 1 -14 6   41 o 32.366  3.4523  154.867   29.467    0.0000    0.0000    154.867   29.467    ?       ?       32.366  3.4523  ?              ?        
1 1 1 -14 7   1  o 72.082  1.9453  696.469   37.551    703.489   52.787    689.276   53.429    72.450  2.7202  71.713  2.7816  0.7368088      3.890543 
1 1 1 -14 7   2  o 179.277 3.5946  4315.81   172.599   4262.50   243.869   4369.32   244.315   178.165 5.1103  180.388 5.0565  -2.223557      7.189119 
1 1 1 -14 7   3  o 82.787  2.0929  918.888   46.400    899.513   65.687    938.184   65.552    81.915  2.9938  83.659  2.9254  -1.744087      4.185794 
1 1 1 -14 7   4  o 215.181 4.1894  6225.94   241.456   6206.25   341.579   6245.61   341.361   214.839 5.9359  215.523 5.9133  -0.6834564     8.378711 
1 1 1 -14 7   5  o 132.313 2.8093  2349.13   99.558    2374.97   140.851   2323.34   140.743   133.041 3.9526  131.585 3.9933  1.456543       5.618674 
1 1 1 -14 7   6  o 354.573 6.6491  17032.62  631.363   17410.79  893.075   16654.78  892.689   358.553 9.2992  350.594 9.5062  7.958679       13.29823 
1 1 1 -14 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 7   8  o 191.080 3.7479  4910.29   191.821   4895.84   270.989   4924.80   271.564   190.798 5.3026  191.362 5.2982  -0.5641479     7.495894 
1 1 1 -14 7   9  o 197.230 3.8957  5234.85   205.796   5278.96   290.794   5190.60   291.285   198.067 5.4813  196.393 5.5374  1.674103       7.791470 
1 1 1 -14 7   10 o 134.636 2.8321  2434.10   102.131   2416.68   144.150   2451.65   144.722   134.152 4.0117  135.120 3.9987  -0.9683838     5.664248 
1 1 1 -14 7   11 o 43.111  1.7277  250.071   19.859    254.751   27.845    245.227   28.333    43.526  2.3976  42.696  2.4883  0.8307419      3.455461 
1 1 1 -14 7   12 o 175.299 3.5196  4134.23   165.254   4152.63   233.377   4115.73   234.033   175.694 4.9592  174.905 4.9956  0.7882385      7.039145 
1 1 1 -14 7   13 o 253.814 4.9103  8707.13   333.792   8560.86   471.570   8854.00   472.537   251.661 6.9959  255.968 6.8923  -4.307037      9.820668 
1 1 1 -14 7   14 o 62.987  1.9725  532.669   33.242    556.954   46.776    507.889   47.250    64.442  2.7100  61.533  2.8669  2.909206       3.944976 
1 1 1 -14 7   15 o 166.478 3.3415  3728.47   148.971   3636.83   210.225   3820.90   211.130   164.415 4.7737  168.540 4.6769  -4.124893      6.682921 
1 1 1 -14 7   16 o 138.941 2.9703  2594.75   110.539   2597.89   155.950   2591.57   156.704   139.027 4.1879  138.855 4.2134  0.1722717      5.940637 
1 1 1 -14 7   17 o 156.740 6.6213  3321.55   277.980   0.0000    0.0000    3321.55   277.980   ?       ?       156.740 6.6213  ?              ?        
1 1 1 -14 7   18 o 45.589  1.8327  280.044   22.255    293.596   31.253    266.104   31.697    46.720  2.5067  44.458  2.6743  2.261974       3.665386 
1 1 1 -14 7   19 o 177.804 3.5824  4263.04   170.608   4251.13   240.919   4275.02   241.635   177.555 5.0658  178.053 5.0667  -0.4980621     7.164741 
1 1 1 -14 7   20 o 169.740 3.4568  3887.82   157.160   3903.09   221.913   3872.45   222.603   170.079 4.8713  169.401 4.9060  0.6781006      6.913620 
1 1 1 -14 7   21 o 43.023  1.8770  250.610   21.412    274.805   29.978    225.409   30.595    45.177  2.4870  40.868  2.8121  4.308887       3.754028 
1 1 1 -14 7   22 o 109.076 2.5558  1602.90   74.661    1569.23   105.228   1637.03   105.948   107.918 3.6404  110.234 3.5883  -2.315880      5.111581 
1 1 1 -14 7   23 f 84.364  2.1828  958.208   49.322    949.341   69.419    967.246   70.089    83.970  3.0865  84.758  3.0873  -0.7880173     4.365553 
1 1 1 -14 7   24 o 77.760  2.1620  815.885   44.977    852.992   63.239    777.898   63.983    79.566  2.9673  75.954  3.1450  3.611313       4.323923 
1 1 1 -14 7   25 o 80.249  2.1628  869.285   46.486    864.632   65.360    874.049   66.131    80.034  3.0489  80.465  3.0684  -0.4306107     4.325609 
1 1 1 -14 7   26 o 73.939  4.5867  750.652   90.389    0.0000    0.0000    750.652   90.389    ?       ?       73.939  4.5867  ?              ?        
1 1 1 -14 7   27 o 38.240  1.8942  198.446   19.277    196.062   27.092    200.890   27.435    38.006  2.6785  38.473  2.6790  -0.4671288     3.788347 
1 1 1 -14 7   28 o 68.608  2.0608  637.805   37.865    646.837   53.367    628.649   53.734    69.105  2.8832  68.110  2.9454  0.9951782      4.121692 
1 1 1 -14 7   29 o 23.670  2.1820  77.414    13.490    80.578    19.018    74.211    19.139    24.184  3.0004  23.156  3.1688  1.027824       4.363905 
1 1 1 -14 7   30 o 49.723  1.9451  336.447   25.800    328.704   36.161    344.475   36.822    49.137  2.7587  50.310  2.7429  -1.173031      3.890246 
1 1 1 -14 7   31 o 30.369  2.0819  128.232   16.446    150.073   23.037    105.532   23.486    33.141  2.6165  27.596  3.2390  5.545483       4.163786 
1 1 1 -14 7   32 o 55.356  2.0227  419.002   29.909    397.185   41.826    441.831   42.786    53.825  2.9120  56.887  2.8080  -3.062584      4.045365 
1 1 1 -14 7   33 o 33.271  2.1198  154.372   18.505    173.525   25.851    134.242   26.502    35.508  2.7392  31.035  3.2358  4.473520       4.239518 
1 1 1 -14 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 7   35 o 35.561  2.0846  176.537   19.665    176.934   27.361    176.113   28.282    35.630  2.8919  35.493  3.0031  0.1369362      4.169203 
1 1 1 -14 7   36 o 8.5967  2.4999  1.7022    9.6055    -6.0005   12.830    11.527    14.490    7.0198  3.1776  10.174  3.8602  -3.153733      4.999807 
1 1 1 -14 7   37 o 16.428  3.3317  33.695    15.068    67.370    27.779    19.655    17.937    20.730  5.0498  12.126  4.3476  8.603266       6.663453 
1 1 1 -14 7   38 o 12.490  3.1272  21.414    14.265    -2.0204   25.898    31.622    17.092    10.518  4.6544  14.463  4.1778  -3.944594      6.254398 
1 1 1 -14 7   39 o 15.410  3.4496  38.545    16.098    24.812    29.519    44.358    19.206    13.863  5.4427  16.957  4.2397  -3.094231      6.899158 
1 1 1 -14 7   40 o 28.366  3.0953  118.309   21.604    145.849   38.243    105.401   26.181    30.240  4.8882  26.492  3.7984  3.748680       6.190524 
1 1 1 -14 8   1  f 419.685 7.8586  23923.33  883.361   24186.70  1248.91   23659.66  1249.61   422.031 11.048  417.339 11.179  4.691803       15.71728 
1 1 1 -14 8   2  o 237.028 4.5841  7561.72   291.031   7588.13   411.458   7535.28   411.704   237.445 6.4695  236.611 6.4962  0.8330994      9.168191 
1 1 1 -14 8   3  o 217.598 4.2723  6369.83   249.003   6363.37   352.296   6376.27   351.992   217.486 6.0477  217.709 6.0363  -0.2222900     8.544618 
1 1 1 -14 8   4  o 70.855  1.9739  673.138   37.456    660.786   53.049    685.417   52.893    70.206  2.8211  71.504  2.7617  -1.298088      3.947839 
1 1 1 -14 8   5  o 143.777 3.0145  2775.41   116.089   2763.52   164.281   2787.26   164.069   143.469 4.2751  144.086 4.2513  -0.6170654     6.029047 
1 1 1 -14 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 8   7  f 189.300 3.7608  4820.26   190.676   4767.91   269.572   4872.68   269.742   188.267 5.3458  190.333 5.2911  -2.065948      7.521523 
1 1 1 -14 8   8  o 112.622 2.5228  1702.24   76.094    1674.76   107.490   1729.85   107.738   111.710 3.5924  113.535 3.5428  -1.825569      5.045512 
1 1 1 -14 8   9  o 162.691 3.3146  3558.08   144.439   3550.33   204.079   3565.85   204.456   162.514 4.6883  162.869 4.6868  -0.3549652     6.629193 
1 1 1 -14 8   10 o 103.016 2.4104  1424.45   66.496    1454.96   93.878    1393.74   94.201    104.126 3.3660  101.906 3.4512  2.219719       4.820860 
1 1 1 -14 8   11 o 90.859  2.2156  1107.79   53.913    1127.11   76.093    1088.31   76.396    91.657  3.0995  90.062  3.1669  1.594971       4.431293 
1 1 1 -14 8   12 o 103.178 2.4054  1428.87   66.475    1416.12   93.767    1441.74   94.253    102.715 3.4082  103.641 3.3953  -0.9257431     4.810807 
1 1 1 -14 8   13 o 16.588  2.1319  38.071    9.1219    38.904    12.863    37.228    12.938    16.781  2.9705  16.394  3.0589  0.3870506      4.263881 
1 1 1 -14 8   14 o 147.056 3.0318  2906.94   119.417   2907.08   168.536   2906.80   169.229   147.060 4.2787  147.051 4.2965  0.9292603E-02  6.063583 
1 1 1 -14 8   15 o 133.805 2.8532  2405.92   102.252   2418.24   144.260   2393.48   144.955   134.152 4.0148  133.458 4.0551  0.6929932      5.706318 
1 1 1 -14 8   16 o 52.025  1.8809  363.604   26.154    367.377   36.661    359.693   37.323    52.336  2.6152  51.713  2.7039  0.6232300      3.761744 
1 1 1 -14 8   17 f 168.665 6.9911  3853.95   315.836   3853.95   315.836   0.0000    0.0000    168.665 6.9911  ?       ?       ?              ?        
1 1 1 -14 8   18 o 109.378 2.5140  1607.54   73.650    1599.85   103.756   1615.35   104.561   109.115 3.5501  109.641 3.5605  -0.5263062     5.027938 
1 1 1 -14 8   19 o 71.071  2.0308  678.575   38.637    697.180   54.281    659.468   55.008    72.063  2.8122  70.079  2.9305  1.983505       4.061605 
1 1 1 -14 8   20 o 77.244  2.1126  801.566   43.698    776.891   61.356    826.965   62.249    76.035  3.0127  78.452  2.9624  -2.416519      4.225146 
1 1 1 -14 8   21 o 124.528 2.7504  2090.82   91.736    2088.75   129.391   2092.91   130.081   124.468 3.8811  124.588 3.8981  -0.1200562     5.500737 
1 1 1 -14 8   22 o 127.947 2.8061  2211.54   96.147    2253.11   135.667   2169.60   136.278   129.168 3.9213  126.727 4.0149  2.441589       5.612105 
1 1 1 -14 8   23 o 88.797  2.2894  1063.48   54.444    1075.85   76.695    1050.92   77.299    89.323  3.2056  88.270  3.2694  1.053192       4.578770 
1 1 1 -14 8   24 f 65.969  2.0188  586.713   35.669    586.412   50.098    587.023   50.795    65.955  2.8359  65.983  2.8741  -0.2849579E-01 4.037632 
1 1 1 -14 8   25 o 35.141  1.9084  167.708   17.802    171.907   24.769    163.221   25.602    35.613  2.6149  34.669  2.7805  0.9439583      3.816864 
1 1 1 -14 8   26 f 25.010  2.8242  85.596    18.588    85.596    18.588    0.0000    0.0000    25.010  2.8242  ?       ?       ?              ?        
1 1 1 -14 8   27 o 31.595  1.9458  135.961   16.249    122.637   22.643    150.109   23.332    29.967  2.8555  33.222  2.6439  -3.255451      3.891548 
1 1 1 -14 8   28 o 58.087  1.9883  457.326   30.927    463.018   43.432    451.471   44.050    58.463  2.7736  57.711  2.8497  0.7518578      3.976638 
1 1 1 -14 8   29 o 21.874  2.2741  67.229    12.698    80.761    17.934    53.628    17.981    24.237  2.8150  19.511  3.5723  4.725597       4.548128 
1 1 1 -14 8   30 o 16.429  2.5043  39.084    10.740    48.083    14.849    29.215    15.552    18.536  3.1004  14.322  3.9336  4.214147       5.008542 
1 1 1 -14 8   31 o 34.215  2.0240  160.801   18.369    159.475   25.524    162.226   26.455    34.080  2.8216  34.350  2.9025  -0.2703972     4.047943 
1 1 1 -14 8   32 o 19.837  2.5725  57.860    12.942    73.285    17.872    40.850    18.767    22.933  2.9801  16.742  4.1940  6.191002       5.144957 
1 1 1 -14 8   33 o 11.559  2.8659  16.860    11.096    12.408    15.574    21.449    15.812    10.641  4.0105  12.476  4.0950  -1.834840      5.731780 
1 1 1 -14 8   34 o 54.058  2.0938  405.923   30.194    403.607   42.216    408.349   43.203    53.918  2.9342  54.199  2.9876  -0.2816505     4.187521 
1 1 1 -14 8   35 o 30.689  2.2178  133.471   17.881    142.571   24.813    123.639   25.790    31.886  2.9384  29.492  3.3227  2.393862       4.435616 
1 1 1 -14 8   36 o 5.9331  2.0019  -14.8704  8.6415    -15.0344  11.176    -14.6266  13.628    5.5021  2.6380  6.3641  3.0119  -0.8620014     4.003885 
1 1 1 -14 8   37 o 26.730  2.3696  103.222   16.344    85.269    22.946    121.708   23.285    24.157  3.6611  29.303  3.0094  -5.145832      4.739233 
1 1 1 -14 8   38 o 11.685  3.0103  17.327    12.592    24.929    17.651    9.4477    17.969    13.026  4.3291  10.345  4.1839  2.681307       6.020524 
1 1 1 -14 8   39 o 29.617  2.3454  127.444   18.251    124.457   24.948    130.882   26.769    29.299  3.2329  29.935  3.3987  -0.6368980     4.690742 
1 1 1 -14 8   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 9   1  o 264.062 5.0366  9404.38   356.046   9746.10   503.328   9062.12   503.722   268.898 6.9884  259.226 7.2548  9.671753       10.07318 
1 1 1 -14 9   2  o 219.794 4.2945  6502.42   252.813   6427.30   357.327   6577.71   357.736   218.517 6.1051  221.071 6.0415  -2.553635      8.589012 
1 1 1 -14 9   3  o 198.708 3.9413  5311.40   209.759   5255.00   296.713   5367.74   296.576   197.649 5.6047  199.768 5.5427  -2.118713      7.882528 
1 1 1 -14 9   4  o 50.630  1.8056  344.074   24.436    354.494   34.704    333.827   34.414    51.425  2.5196  49.835  2.5871  1.589809       3.611233 
1 1 1 -14 9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 9   6  o 134.539 2.8347  2430.47   102.151   2447.54   144.607   2413.47   144.319   135.011 3.9988  134.067 4.0190  0.9446716      5.669441 
1 1 1 -14 9   7  o 70.540  1.9654  667.259   37.135    669.182   52.598    665.348   52.435    70.641  2.7799  70.439  2.7792  0.2026367      3.930869 
1 1 1 -14 9   8  o 131.157 2.7914  2310.45   98.040    2369.25   138.699   2251.74   138.600   132.829 3.8985  129.484 3.9963  3.344513       5.582855 
1 1 1 -14 9   9  o 87.406  2.1801  1024.98   51.036    1036.00   72.117    1013.93   72.234    87.877  3.0639  86.934  3.1022  0.9430161      4.360126 
1 1 1 -14 9   10 o 113.596 2.5272  1732.42   76.891    1744.63   108.604   1720.15   108.877   113.998 3.5568  113.193 3.5911  0.8053360      5.054372 
1 1 1 -14 9   11 o 58.527  1.8521  459.369   29.033    460.158   40.901    458.569   41.220    58.578  2.6068  58.476  2.6317  0.1019669      3.704234 
1 1 1 -14 9   12 o 174.452 3.5127  4096.14   164.125   4031.78   231.798   4160.84   232.418   173.072 5.0003  175.832 4.9350  -2.759811      7.025427 
1 1 1 -14 9   13 o 152.691 3.1849  3135.34   130.254   3126.01   183.939   3144.73   184.477   152.463 4.5042  152.918 4.5039  -0.4556427     6.369746 
1 1 1 -14 9   14 o 201.817 3.9794  5491.03   215.103   5432.56   303.830   5549.78   304.575   200.734 5.6509  202.899 5.6043  -2.165115      7.958751 
1 1 1 -14 9   15 o 95.928  2.3431  1235.40   60.201    1240.85   84.894    1229.90   85.382    96.141  3.2967  95.714  3.3304  0.4275589      4.686155 
1 1 1 -14 9   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 9   17 o 90.057  2.2469  1089.01   54.197    1079.13   76.283    1099.08   77.014    89.644  3.1770  90.469  3.1782  -0.8245392     4.493810 
1 1 1 -14 9   18 o 115.916 2.6281  1807.60   81.575    1847.46   115.073   1767.34   115.659   117.208 3.6655  114.624 3.7671  2.583084       5.256142 
1 1 1 -14 9   19 o 200.069 3.9692  5423.43   212.695   5455.45   300.422   5391.24   301.171   200.671 5.5893  199.467 5.6371  1.203949       7.938325 
1 1 1 -14 9   20 o 48.063  1.9309  311.349   24.754    308.542   34.774    314.233   35.245    47.843  2.7249  48.282  2.7366  -0.4393997     3.861827 
1 1 1 -14 9   21 o 88.988  2.2683  1066.32   54.063    1062.51   76.104    1070.20   76.813    88.829  3.1987  89.147  3.2169  -0.3181458     4.536515 
1 1 1 -14 9   22 o 33.931  1.8864  156.881   16.850    178.393   23.686    134.842   23.975    36.345  2.4474  31.518  2.8714  4.827013       3.772890 
1 1 1 -14 9   23 o 100.018 2.4376  1352.83   65.283    1382.72   92.003    1322.52   92.648    101.145 3.3960  98.891  3.4978  2.253922       4.875176 
1 1 1 -14 9   24 o 9.4066  2.3143  8.3950    7.8615    -0.8055   10.897    18.380    11.352    7.2477  3.1153  11.565  3.4233  -4.317699      4.628637 
1 1 1 -14 9   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 9   26 f 43.188  1.9149  253.068   22.033    244.704   30.865    261.759   31.463    42.454  2.7288  43.923  2.6873  -1.468948      3.829851 
1 1 1 -14 9   27 o 94.320  2.4035  1211.85   60.706    1233.90   85.558    1189.49   86.148    95.204  3.3552  93.435  3.4423  1.768822       4.806902 
1 1 1 -14 9   28 o 44.705  1.9446  272.057   23.161    273.920   32.338    270.096   33.188    44.875  2.7031  44.535  2.7964  0.3395348      3.889273 
1 1 1 -14 9   29 o 31.378  2.0137  134.917   16.735    130.487   23.449    139.517   23.890    30.843  2.8713  31.913  2.8240  -1.069639      4.027359 
1 1 1 -14 9   30 f 32.561  2.0210  145.567   17.440    140.531   24.331    150.889   25.011    31.975  2.8716  33.148  2.8446  -1.173603      4.041970 
1 1 1 -14 9   31 o 22.595  2.4184  72.185    13.909    55.262    19.245    90.691    20.125    19.636  3.7965  25.555  2.9971  -5.918720      4.836896 
1 1 1 -14 9   32 o 14.344  2.7750  29.660    11.087    23.805    15.427    35.916    15.944    12.974  4.0223  15.715  3.8242  -2.741525      5.550041 
1 1 1 -14 9   33 o 44.218  2.9084  271.263   34.255    271.263   34.255    0.0000    0.0000    44.218  2.9084  ?       ?       ?              ?        
1 1 1 -14 9   34 o 29.413  2.2453  122.918   17.270    133.120   23.865    111.701   25.024    30.828  2.9253  27.998  3.4071  2.830004       4.490596 
1 1 1 -14 9   35 o 20.260  2.6484  60.165    13.812    58.796    18.835    61.757    20.315    20.051  3.6411  20.468  3.8469  -0.4167500     5.296819 
1 1 1 -14 9   36 o 16.970  2.9023  43.519    13.054    45.433    18.446    41.599    18.477    17.372  4.0406  16.568  4.1675  0.8036327      5.804680 
1 1 1 -14 9   37 o 8.2099  2.5079  -2.8050   10.311    -10.6821  13.591    7.8771    15.827    6.7050  3.1198  9.7148  3.9276  -3.009776      5.015890 
1 1 1 -14 9   38 o 18.927  2.9630  55.276    14.633    59.199    20.492    51.193    20.903    19.724  4.0153  18.129  4.3584  1.595024       5.926087 
1 1 1 -14 9   39 o 23.445  3.8678  94.018    21.234    91.744    43.767    94.718    24.283    21.827  6.7763  25.063  3.7311  -3.235229      7.735555 
1 1 1 -14 10  1  o 182.937 3.6118  4499.73   176.972   4521.17   249.822   4478.13   250.732   183.378 5.0862  182.497 5.1294  0.8811951      7.223602 
1 1 1 -14 10  2  o 173.079 3.4954  4027.14   162.039   4002.61   229.033   4051.72   229.283   172.549 4.9556  173.608 4.9308  -1.058517      6.990723 
1 1 1 -14 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 10  4  o 112.123 2.5840  1687.39   77.600    1707.24   109.913   1667.65   109.573   112.782 3.6385  111.465 3.6701  1.317375       5.167996 
1 1 1 -14 10  5  o 111.053 2.5347  1655.27   75.395    1667.26   106.837   1643.37   106.413   111.454 3.5788  110.652 3.5904  0.8021088      5.069434 
1 1 1 -14 10  6  o 153.360 3.1197  3160.68   128.149   3173.44   181.427   3147.99   181.034   153.669 4.4078  153.050 4.4161  0.6184082      6.239460 
1 1 1 -14 10  7  o 178.047 3.6076  4265.86   172.044   4291.32   243.470   4240.48   243.144   178.580 5.0901  177.515 5.1138  1.065018       7.215228 
1 1 1 -14 10  8  o 149.887 3.0970  3019.74   124.332   3039.90   175.904   2999.60   175.760   150.388 4.3669  149.385 4.3926  1.003403       6.193933 
1 1 1 -14 10  9  f 218.587 4.2759  6445.14   250.324   6544.55   354.090   6345.81   353.934   220.284 6.0013  216.890 6.0925  3.393890       8.551807 
1 1 1 -14 10  10 o 49.724  1.7761  331.987   23.613    328.408   33.388    335.568   33.400    49.423  2.5307  50.025  2.4927  -0.6021194     3.552175 
1 1 1 -14 10  11 o 26.099  1.8606  92.767    12.721    104.754   17.927    80.612    18.053    27.845  2.4280  24.352  2.8199  3.493208       3.721117 
1 1 1 -14 10  12 o 54.529  1.8879  398.847   27.570    403.647   38.861    393.984   39.120    54.860  2.6447  54.198  2.6948  0.6621552      3.775778 
1 1 1 -14 10  13 o 162.031 3.3141  3532.55   143.825   3492.66   203.086   3572.68   203.715   161.110 4.7062  162.951 4.6674  -1.841522      6.628182 
1 1 1 -14 10  14 o 142.228 3.0132  2720.17   114.785   2690.78   162.038   2749.77   162.625   141.455 4.2767  143.001 4.2458  -1.546478      6.026365 
1 1 1 -14 10  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 10  16 o 154.402 3.1978  3210.59   132.246   3230.24   186.705   3190.81   187.344   154.880 4.5006  153.924 4.5441  0.9562531      6.395638 
1 1 1 -14 10  17 o 135.143 2.9117  2459.47   105.375   2512.86   148.786   2405.73   149.260   136.624 4.0658  133.663 4.1691  2.961700       5.823415 
1 1 1 -14 10  18 o 202.048 4.0085  5533.03   216.934   5510.29   306.392   5555.90   307.193   201.630 5.6733  202.466 5.6646  -0.8363953     8.017086 
1 1 1 -14 10  19 o 75.779  2.1298  772.529   43.208    793.646   60.788    750.964   61.429    76.832  2.9538  74.726  3.0691  2.106003       4.259635 
1 1 1 -14 10  20 o 128.445 2.8303  2228.47   97.370    2234.21   137.314   2222.67   138.094   128.616 3.9859  128.274 4.0193  0.3415527      5.660580 
1 1 1 -14 10  21 o 58.157  1.9177  455.207   29.866    459.726   41.938    450.557   42.543    58.454  2.6786  57.861  2.7451  0.5925598      3.835380 
1 1 1 -14 10  22 o 20.658  2.3420  61.751    11.920    85.251    16.698    37.330    17.022    25.042  2.5239  16.275  3.9458  8.767145       4.683996 
1 1 1 -14 10  23 o 26.993  1.9618  99.274    13.977    97.914    19.467    100.721   20.082    26.805  2.7504  27.182  2.7982  -0.3772049     3.923574 
1 1 1 -14 10  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 10  25 f 41.456  1.8945  233.551   20.892    245.349   29.351    221.435   29.744    42.541  2.5882  40.371  2.7674  2.170437       3.789096 
1 1 1 -14 10  26 o 31.077  1.9605  131.702   16.143    127.952   22.521    135.666   23.151    30.618  2.7763  31.536  2.7688  -0.9183006     3.921026 
1 1 1 -14 10  27 o 24.827  2.1061  84.757    13.711    80.187    19.002    89.721    19.804    24.113  3.0074  25.540  2.9492  -1.426306      4.212197 
1 1 1 -14 10  28 o 38.124  1.9537  197.978   19.776    181.934   27.317    215.646   28.666    36.482  2.8174  39.765  2.7075  -3.283428      3.907423 
1 1 1 -14 10  29 o 26.593  2.1420  97.876    14.966    100.105   20.839    95.503    21.506    26.935  2.9361  26.251  3.1197  0.6834373      4.284046 
1 1 1 -14 10  30 o 24.736  2.2454  85.090    14.479    76.309    19.937    94.891    21.063    23.337  3.2800  26.135  3.0673  -2.797421      4.490762 
1 1 1 -14 10  31 o 15.576  2.7280  35.557    11.989    51.829    16.805    18.694    17.108    19.073  3.4150  12.080  4.2550  6.993063       5.455928 
1 1 1 -14 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 10  33 o 16.751  2.8216  41.579    12.445    41.586    16.867    41.570    18.437    16.798  3.8334  16.704  4.1414  0.9436989E-01  5.643261 
1 1 1 -14 10  34 o 16.160  2.8521  39.261    12.314    41.833    16.800    36.274    18.103    16.793  3.8210  15.527  4.2354  1.266280       5.704266 
1 1 1 -14 10  35 o 17.554  2.8184  45.937    12.927    41.992    17.555    50.609    19.106    16.724  3.9772  18.384  3.9943  -1.660479      5.636702 
1 1 1 -14 10  36 o 19.672  2.7728  58.061    14.086    50.401    19.968    65.650    19.873    18.214  4.1813  21.130  3.6429  -2.916426      5.545612 
1 1 1 -14 10  37 o 13.615  3.0425  27.639    12.491    22.528    17.022    33.603    18.385    12.472  4.2516  14.758  4.3533  -2.286195      6.085015 
1 1 1 -14 10  38 o 17.787  3.1053  50.113    14.767    43.668    20.652    56.856    21.125    16.516  4.5316  19.058  4.2469  -2.542103      6.210630 
1 1 1 -14 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 11  2  o 168.370 4.1251  3783.42   176.418   3708.79   216.413   3931.25   304.595   166.070 4.8652  170.671 6.6631  -4.600693      8.250272 
1 1 1 -14 11  3  o 125.217 2.7261  2105.66   91.410    2159.34   129.357   2052.12   129.188   126.815 3.8083  123.618 3.9017  3.196518       5.452178 
1 1 1 -14 11  4  o 141.670 2.9889  2696.69   113.416   2706.17   160.603   2687.27   160.188   141.919 4.2250  141.422 4.2289  0.4967804      5.977763 
1 1 1 -14 11  5  o 162.011 3.3398  3530.00   144.926   3511.94   205.188   3547.97   204.726   161.595 4.7406  162.427 4.7057  -0.8318787     6.679606 
1 1 1 -14 11  6  o 22.949  1.7865  71.511    10.790    68.848    15.306    74.142    15.215    22.511  2.5854  23.386  2.4661  -0.8744564     3.572942 
1 1 1 -14 11  7  o 191.882 3.8166  4960.22   196.108   4835.05   277.416   5085.25   277.262   189.448 5.4671  194.316 5.3271  -4.868744      7.633275 
1 1 1 -14 11  8  o 144.031 3.0342  2789.01   117.034   2731.52   165.618   2846.34   165.403   142.543 4.3378  145.520 4.2436  -2.976913      6.068359 
1 1 1 -14 11  9  o 54.205  1.8158  394.075   26.344    413.549   37.440    374.980   37.074    55.533  2.5171  52.877  2.6177  2.655750       3.631528 
1 1 1 -14 11  10 o 37.012  1.7843  184.603   17.558    196.989   24.990    172.527   24.675    38.250  2.4521  35.773  2.5927  2.476437       3.568650 
1 1 1 -14 11  11 o 192.479 3.8147  4992.73   196.650   5071.91   278.092   4913.54   278.119   194.015 5.3514  190.943 5.4380  3.071915       7.629467 
1 1 1 -14 11  12 o 235.040 4.5228  7464.88   284.733   7422.41   402.443   7507.45   402.903   234.365 6.4109  235.714 6.3816  -1.348312      9.045677 
1 1 1 -14 11  13 o 71.004  1.9991  676.544   38.001    649.756   53.577    703.665   53.908    69.587  2.8745  72.421  2.7791  -2.833763      3.998233 
1 1 1 -14 11  14 o 93.538  4.7844  1181.52   119.468   1181.52   119.468   0.0000    0.0000    93.538  4.7844  ?       ?       ?              ?        
1 1 1 -14 11  15 o 123.952 2.7591  2066.41   91.594    2028.26   129.213   2104.94   129.857   122.799 3.9285  125.106 3.8753  -2.307129      5.518196 
1 1 1 -14 11  16 o 72.056  2.0675  697.441   39.893    710.586   56.199    684.090   56.638    72.743  2.8843  71.369  2.9629  1.374428       4.134979 
1 1 1 -14 11  17 o 78.644  2.1463  831.185   45.210    822.054   63.648    840.482   64.228    78.208  3.0384  79.080  3.0323  -0.8723068     4.292618 
1 1 1 -14 11  18 o 212.002 4.1967  6115.45   238.301   6061.00   336.552   6170.20   337.466   211.045 5.9537  212.959 5.9162  -1.913818      8.393365 
1 1 1 -14 11  19 o 69.460  2.0343  648.964   37.844    635.619   53.223    662.611   53.820    68.736  2.8909  70.183  2.8630  -1.447342      4.068629 
1 1 1 -14 11  20 o 76.384  2.1085  785.844   43.128    762.909   60.633    809.332   61.358    75.252  3.0082  77.516  2.9552  -2.263733      4.216909 
1 1 1 -14 11  21 o 118.459 2.6752  1900.84   84.879    1910.74   119.647   1890.82   120.431   118.777 3.7608  118.141 3.8058  0.6367874      5.350493 
1 1 1 -14 11  22 o 70.428  2.0634  669.796   38.918    675.856   54.691    663.580   55.391    70.757  2.8857  70.099  2.9501  0.6580276      4.126822 
1 1 1 -14 11  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 11  24 o 51.159  1.9325  354.755   26.381    347.563   36.924    362.255   37.704    50.628  2.7330  51.690  2.7330  -1.061943      3.865090 
1 1 1 -14 11  25 f 27.773  2.0184  105.537   14.797    103.944   20.651    107.219   21.214    27.559  2.8382  27.988  2.8705  -0.4285946     4.036714 
1 1 1 -14 11  26 o 16.495  2.5257  38.498    10.889    29.563    15.071    48.257    15.750    14.431  3.8339  18.558  3.2891  -4.126166      5.051395 
1 1 1 -14 11  27 o 51.048  1.9773  355.046   26.931    351.982   37.787    358.208   38.391    50.827  2.7863  51.270  2.8063  -0.4426193     3.954544 
1 1 1 -14 11  28 o 18.429  2.4872  48.081    11.824    44.996    16.423    51.401    17.037    17.789  3.5709  19.070  3.4630  -1.281540      4.974301 
1 1 1 -14 11  29 o 17.095  2.5971  42.267    11.557    49.087    16.114    35.042    16.585    18.617  3.3549  15.572  3.9655  3.044346       5.194288 
1 1 1 -14 11  30 o 37.589  2.0842  194.989   20.798    184.891   28.841    205.929   30.020    36.561  2.9708  38.616  2.9241  -2.054623      4.168446 
1 1 1 -14 11  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 11  32 o 6.8823  2.2111  -7.2099   8.9552    -11.0731  12.551    -3.2042   12.781    6.3810  2.9788  7.3835  3.2684  -1.002503      4.422137 
1 1 1 -14 11  33 o 17.497  2.7574  45.475    12.564    46.019    17.104    44.838    18.516    17.674  3.7303  17.320  4.0617  0.3542805      5.514802 
1 1 1 -14 11  34 o 10.556  2.6954  12.895    10.411    21.654    14.287    2.9793    15.201    12.243  3.8820  8.8686  3.7404  3.374678       5.390767 
1 1 1 -14 11  35 f 18.714  2.8165  51.994    13.688    42.537    18.509    63.410    20.336    16.739  4.1491  20.690  3.8099  -3.951328      5.632962 
1 1 1 -14 11  36 o 13.153  2.9494  23.984    12.510    10.673    17.172    39.038    18.262    10.378  4.1267  15.928  4.2150  -5.550296      5.898779 
1 1 1 -14 11  37 o 23.748  2.6936  86.568    16.095    106.838   22.372    64.822    23.172    27.155  3.1334  20.342  4.3823  6.813232       5.387292 
1 1 1 -14 12  1  o 141.784 2.9560  2701.15   112.257   2701.95   158.352   2700.33   159.162   141.807 4.1690  141.762 4.1917  0.4522705E-01  5.911976 
1 1 1 -14 12  2  o 164.011 3.3440  3618.03   146.890   3556.75   207.432   3679.68   208.038   162.613 4.7625  165.409 4.6957  -2.796143      6.688069 
1 1 1 -14 12  3  o 81.366  2.1160  888.186   46.114    880.536   65.171    895.857   65.259    81.014  3.0033  81.717  2.9815  -0.7028275     4.231952 
1 1 1 -14 12  4  o 95.702  2.2990  1229.23   58.922    1259.21   83.524    1199.53   83.135    96.866  3.2192  94.539  3.2831  2.327377       4.598053 
1 1 1 -14 12  5  o 125.750 2.7641  2124.54   93.070    2192.92   131.934   2056.81   131.311   127.770 3.8551  123.730 3.9622  4.039368       5.528201 
1 1 1 -14 12  6  o 155.752 3.2172  3262.80   134.202   3322.42   190.104   3203.57   189.479   157.175 4.5156  154.328 4.5838  2.846695       6.434456 
1 1 1 -14 12  7  o 127.129 2.7826  2171.57   94.740    2216.38   134.223   2127.08   133.744   128.439 3.9016  125.818 3.9686  2.621086       5.565280 
1 1 1 -14 12  8  f 224.607 4.3714  6811.38   262.987   6829.33   372.126   6793.46   371.714   224.905 6.1774  224.310 6.1869  0.5941467      8.742833 
1 1 1 -14 12  9  o 191.091 3.7793  4920.64   193.428   4864.16   273.619   4977.07   273.477   189.987 5.3769  192.194 5.3124  -2.206604      7.558628 
1 1 1 -14 12  10 o 70.711  2.0311  670.975   38.444    701.421   54.555    640.945   54.182    72.307  2.8169  69.115  2.9268  3.192200       4.062119 
1 1 1 -14 12  11 o 117.618 2.6418  1858.73   83.219    1826.84   117.689   1890.62   117.689   116.606 3.7681  118.630 3.7038  -2.024361      5.283669 
1 1 1 -14 12  12 o 29.800  4.1387  121.686   32.143    0.0000    0.0000    121.686   32.143    ?       ?       29.800  4.1387  ?              ?        
1 1 1 -14 12  13 o 41.192  2.2024  232.475   23.051    241.444   29.012    217.122   37.960    42.346  2.5701  40.039  3.5772  2.306160       4.404714 
1 1 1 -14 12  14 o 20.759  2.1295  59.295    11.407    51.220    16.078    67.480    16.186    19.268  3.2296  22.250  2.7764  -2.982372      4.258934 
1 1 1 -14 12  15 o 62.011  1.9513  516.397   32.405    524.877   45.714    507.832   45.942    62.524  2.7297  61.497  2.7891  1.027046       3.902622 
1 1 1 -14 12  16 o 135.206 2.9022  2464.73   105.100   2454.18   148.343   2475.36   148.926   134.915 4.1051  135.496 4.1035  -0.5814514     5.804321 
1 1 1 -14 12  17 o 78.059  2.1442  820.784   44.744    877.129   63.137    763.938   63.418    80.766  2.9185  75.351  3.1422  5.415291       4.288489 
1 1 1 -14 12  18 o 94.822  2.3220  1211.35   58.971    1193.79   83.053    1229.20   83.745    94.127  3.2942  95.517  3.2733  -1.389717      4.643990 
1 1 1 -14 12  19 o 51.468  1.9088  357.611   26.210    377.807   36.815    336.854   37.323    52.993  2.5937  49.943  2.8014  3.050583       3.817681 
1 1 1 -14 12  20 o 137.744 3.0131  2578.65   111.165   2576.03   156.793   2581.30   157.632   137.678 4.2518  137.810 4.2705  -0.1317596     6.026163 
1 1 1 -14 12  21 o 49.677  1.9020  333.735   25.211    328.959   35.422    338.637   35.891    49.315  2.6918  50.038  2.6877  -0.7229958     3.803918 
1 1 1 -14 12  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 12  23 o 19.505  2.2889  52.778    11.494    45.934    15.796    60.480    16.757    18.104  3.3818  20.906  3.0853  -2.801380      4.577754 
1 1 1 -14 12  24 o 37.663  1.9413  193.125   19.439    197.607   27.278    188.500   27.708    38.122  2.6887  37.204  2.8011  0.9173431      3.882654 
1 1 1 -14 12  25 o 30.618  2.0198  128.486   16.339    135.090   22.886    121.622   23.334    31.453  2.7440  29.782  2.9645  1.670567       4.039536 
1 1 1 -14 12  26 f 30.474  2.0440  127.665   16.441    133.899   22.886    121.019   23.632    31.283  2.7597  29.666  3.0161  1.617050       4.088095 
1 1 1 -14 12  27 o 54.341  2.0183  402.923   29.236    366.066   40.835    441.684   41.876    51.715  2.9603  56.967  2.7444  -5.252110      4.036693 
1 1 1 -14 12  28 o 11.786  2.7672  18.272    10.256    14.778    14.111    22.184    14.931    10.930  3.8629  12.641  3.9633  -1.710814      5.534400 
1 1 1 -14 12  29 o 14.072  2.8229  28.623    11.314    34.550    15.666    22.161    16.357    15.436  3.8116  12.707  4.1648  2.729245       5.645718 
1 1 1 -14 12  30 o 20.142  3.7633  58.611    19.556    0.0000    0.0000    58.611    19.556    ?       ?       20.142  3.7633  ?              ?        
1 1 1 -14 12  31 o 7.7047  2.2925  -1.9852   8.8089    8.7142    12.199    -13.6446  12.734    9.2182  3.5312  6.1912  2.9245  3.027016       4.584976 
1 1 1 -14 12  32 o 8.4189  2.4831  3.1577    9.3264    4.4203    13.020    1.8272    13.366    8.5831  3.5273  8.2547  3.4958  0.3283195      4.966115 
1 1 1 -14 12  33 o 7.6616  2.3985  -3.0192   9.6426    -3.7794   12.774    -2.0121   14.702    7.2674  3.2394  8.0558  3.5381  -0.7883768     4.797053 
1 1 1 -14 12  34 o 15.859  2.7208  38.258    12.703    61.354    17.740    13.951    18.198    20.576  3.3328  11.143  4.3015  9.433291       5.441566 
1 1 1 -14 12  35 o 23.444  2.7226  81.455    15.964    52.423    21.601    116.402   23.699    18.396  4.4355  28.492  3.1586  -10.09543      5.445198 
1 1 1 -14 12  36 o 17.892  2.8594  51.487    14.197    75.802    19.628    24.806    20.560    22.745  3.3195  13.038  4.6568  9.706904       5.718823 
1 1 1 -14 13  1  o 315.453 5.9861  13525.85  505.649   13144.32  714.302   13909.08  715.891   310.933 8.5768  319.973 8.3530  -9.040710      11.97226 
1 1 1 -14 13  2  o 173.825 3.5489  4067.77   165.232   4060.36   233.401   4075.21   233.946   173.667 5.0176  173.983 5.0202  -0.3167725     7.097797 
1 1 1 -14 13  3  o 27.428  1.7845  102.081   12.903    111.411   18.131    92.508    18.366    28.727  2.3777  26.128  2.6616  2.599674       3.568947 
1 1 1 -14 13  4  o 143.442 3.0294  2766.37   116.388   2783.89   164.757   2748.92   164.440   143.896 4.2747  142.987 4.2936  0.9089966      6.058703 
1 1 1 -14 13  5  o 73.413  2.0615  723.097   40.528    742.824   57.521    703.651   57.111    74.409  2.8861  72.417  2.9443  1.991180       4.122974 
1 1 1 -14 13  6  o 109.407 2.5100  1607.63   73.547    1586.58   104.251   1628.50   103.774   108.691 3.5809  110.123 3.5182  -1.431847      5.020058 
1 1 1 -14 13  7  o 185.057 3.7181  4614.34   184.287   4673.98   260.942   4554.99   260.302   186.256 5.2305  183.858 5.2857  2.397919       7.436209 
1 1 1 -14 13  8  o 61.066  1.9503  500.428   31.884    482.168   45.089    518.692   45.093    59.950  2.8080  62.183  2.7074  -2.232979      3.900597 
1 1 1 -14 13  9  o 43.997  1.8593  260.682   21.800    256.419   31.155    264.772   30.514    43.639  2.6783  44.355  2.5796  -0.7160454     3.718536 
1 1 1 -14 13  10 o 180.037 3.6298  4368.54   175.011   4465.52   247.758   4271.96   247.248   182.043 5.0812  178.031 5.1850  4.011673       7.259661 
1 1 1 -14 13  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 13  12 o 76.066  2.1033  776.819   42.853    773.416   60.694    780.203   60.513    75.899  2.9855  76.233  2.9636  -0.3336639     4.206670 
1 1 1 -14 13  13 o 136.746 2.8998  2517.59   106.211   2503.38   150.175   2531.81   150.235   136.358 4.1118  137.134 4.0901  -0.7758789     5.799623 
1 1 1 -14 13  14 o 45.220  1.8575  275.490   22.379    291.121   31.844    260.235   31.458    46.497  2.5668  43.942  2.6857  2.555614       3.715002 
1 1 1 -14 13  15 o 120.358 2.7018  1952.05   87.097    1935.92   122.978   1968.30   123.372   119.857 3.8307  120.859 3.8111  -1.002060      5.403552 
1 1 1 -14 13  16 o 55.536  1.9124  414.570   28.442    404.371   40.121    424.874   40.325    54.847  2.7310  56.225  2.6777  -1.377342      3.824751 
1 1 1 -14 13  17 o 126.568 2.7780  2164.96   94.160    2108.83   132.760   2221.77   133.568   124.906 3.9682  128.230 3.8889  -3.324295      5.556100 
1 1 1 -14 13  18 o 34.611  1.8537  162.121   17.055    162.292   23.949    161.945   24.294    34.632  2.6007  34.589  2.6423  0.4294968E-01  3.707473 
1 1 1 -14 13  19 o 47.923  1.8927  310.530   24.187    317.464   33.964    303.395   34.453    48.476  2.6255  47.370  2.7269  1.106014       3.785424 
1 1 1 -14 13  20 o 55.618  1.9382  417.872   28.802    397.553   40.431    438.810   41.041    54.201  2.7944  57.035  2.6865  -2.833515      3.876373 
1 1 1 -14 13  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 13  22 o 68.345  2.0626  632.699   37.750    638.384   53.002    626.846   53.779    68.666  2.8818  68.024  2.9516  0.6414566      4.125149 
1 1 1 -14 13  23 o 17.704  2.4479  44.834    11.144    57.043    15.690    32.404    15.831    20.301  2.9735  15.106  3.8894  5.195011       4.895835 
1 1 1 -14 13  24 o 50.910  1.9741  352.506   26.810    349.887   37.476    355.251   38.370    50.722  2.7689  51.098  2.8144  -0.3755226     3.948122 
1 1 1 -14 13  25 o 9.4774  2.4696  8.8297    8.4765    3.6056    11.544    14.943    12.487    8.1793  3.3367  10.776  3.6417  -2.596289      4.939131 
1 1 1 -14 13  26 o 32.246  2.0292  142.818   17.340    144.069   24.358    141.532   24.689    32.400  2.8353  32.093  2.9036  0.3074951      4.058321 
1 1 1 -14 13  27 o 32.787  2.0682  148.974   17.852    163.145   24.866    133.903   25.644    34.481  2.7144  31.094  3.1212  3.386753       4.136399 
1 1 1 -14 13  28 o 30.875  2.1887  132.765   17.563    106.371   24.352    161.377   25.355    27.537  3.3722  34.213  2.7911  -6.675945      4.377425 
1 1 1 -14 13  29 o 14.839  4.0656  32.216    16.637    0.0000    0.0000    32.216    16.637    ?       ?       14.839  4.0656  ?              ?        
1 1 1 -14 13  30 o 8.4638  2.5038  2.7767    9.5296    4.3964    13.067    0.9364    13.928    8.6230  3.5375  8.3046  3.5444  0.3183937      5.007687 
1 1 1 -14 13  31 o 10.088  2.7233  10.903    10.229    9.1104    13.960    12.981    15.029    9.6291  3.7535  10.548  3.9467  -0.9185600     5.446570 
1 1 1 -14 13  32 o 10.628  2.7842  13.681    10.496    13.493    14.215    13.906    15.563    10.485  3.8542  10.770  4.0189  -0.2847376     5.568354 
1 1 1 -14 13  33 o 34.445  2.2837  171.592   20.279    207.132   28.354    134.376   29.015    38.449  2.7718  30.442  3.6301  8.007338       4.567342 
1 1 1 -14 13  34 o 12.194  2.7394  16.313    12.450    40.292    17.551    -7.9738   17.664    16.271  4.0447  8.1175  3.6956  8.153368       5.478773 
1 1 1 -14 13  35 o 13.913  2.8750  28.936    12.919    46.692    17.701    8.7010    18.897    17.506  3.8773  10.319  4.2461  7.186767       5.750038 
1 1 1 -14 13  36 o 13.606  4.6387  29.065    20.262    0.0000    0.0000    29.065    20.262    ?       ?       13.606  4.6387  ?              ?        
1 1 1 -14 14  1  o 178.094 3.5909  4272.01   171.283   4208.18   241.696   4336.41   242.769   176.752 5.1053  179.435 5.0512  -2.683533      7.181809 
1 1 1 -14 14  2  o 168.092 3.4557  3804.17   155.586   3779.97   219.743   3828.49   220.321   167.554 4.8963  168.630 4.8779  -1.075378      6.911439 
1 1 1 -14 14  3  o 126.172 2.7784  2139.42   93.893    2111.69   132.641   2167.27   132.927   125.351 3.9506  126.994 3.9079  -1.643631      5.556871 
1 1 1 -14 14  4  o 102.979 2.4036  1423.97   66.294    1408.63   93.735    1439.31   93.774    102.423 3.4168  103.535 3.3814  -1.112221      4.807129 
1 1 1 -14 14  5  o 225.009 4.4417  6841.46   267.669   6743.32   378.693   6939.44   378.389   223.381 6.3292  226.637 6.2333  -3.255798      8.883332 
1 1 1 -14 14  6  o 76.518  2.1258  785.934   43.557    767.657   61.726    804.060   61.473    75.630  3.0471  77.407  2.9649  -1.776817      4.251540 
1 1 1 -14 14  7  o 49.598  1.9061  331.118   25.181    356.270   35.846    306.615   35.381    51.471  2.6086  47.725  2.7798  3.746037       3.812153 
1 1 1 -14 14  8  o 141.793 3.0273  2704.82   114.956   2654.12   162.757   2755.30   162.390   140.460 4.3261  143.126 4.2360  -2.665680      6.054621 
1 1 1 -14 14  9  o 180.616 3.6853  4399.06   178.284   4400.27   252.370   4397.86   251.893   180.640 5.2160  180.592 5.2075  0.4728699E-01  7.370500 
1 1 1 -14 14  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 14  11 o 67.915  2.0232  619.338   36.792    638.883   52.108    599.909   51.955    68.986  2.8201  66.844  2.9018  2.142006       4.046401 
1 1 1 -14 14  12 o 53.053  1.9157  378.539   27.148    397.435   38.515    359.882   38.271    54.411  2.6428  51.696  2.7740  2.714451       3.831367 
1 1 1 -14 14  13 o 109.744 2.5711  1621.41   75.577    1619.82   106.904   1622.99   106.861   109.690 3.6386  109.798 3.6336  -0.1082153     5.142233 
1 1 1 -14 14  14 o 66.956  2.0609  602.760   36.953    618.019   52.360    587.617   52.160    67.803  2.8831  66.108  2.9457  1.694267       4.121867 
1 1 1 -14 14  15 o 65.470  1.9967  576.481   35.015    575.140   49.494    577.824   49.542    65.393  2.8257  65.546  2.8219  -0.1527863     3.993468 
1 1 1 -14 14  16 f 90.963  2.2942  1115.46   55.895    1106.66   78.900    1124.32   79.195    90.601  3.2513  91.324  3.2376  -0.7228088     4.588341 
1 1 1 -14 14  17 o 67.100  2.0340  606.693   36.555    599.057   51.529    614.430   51.865    66.674  2.8854  67.526  2.8675  -0.8526611     4.067984 
1 1 1 -14 14  18 o 47.535  1.9028  305.758   24.099    322.188   34.062    289.290   34.100    48.831  2.6137  46.238  2.7661  2.592999       3.805621 
1 1 1 -14 14  19 o 50.339  1.9225  342.875   25.819    332.620   36.220    353.470   36.815    49.568  2.7387  51.110  2.6988  -1.542126      3.844982 
1 1 1 -14 14  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 14  21 o 17.024  2.4044  40.795    10.577    41.915    14.796    39.625    15.125    17.284  3.3166  16.764  3.4822  0.5193901      4.808901 
1 1 1 -14 14  22 o 16.958  2.4915  41.764    10.948    52.559    15.010    29.495    16.002    19.468  2.9728  14.447  3.9991  5.021301       4.983066 
1 1 1 -14 14  23 o 30.242  2.0072  125.149   16.063    123.950   22.382    126.422   23.067    30.098  2.8088  30.386  2.8681  -0.2877979     4.014335 
1 1 1 -14 14  24 o 11.604  2.6725  17.890    9.5583    15.729    13.359    20.157    13.682    11.076  3.7665  12.132  3.7924  -1.055842      5.344990 
1 1 1 -14 14  25 o 37.560  1.9964  193.198   19.933    187.978   27.900    198.642   28.488    37.036  2.8340  38.084  2.8126  -1.048016      3.992756 
1 1 1 -14 14  26 o 24.680  2.2966  85.222    14.530    66.927    20.069    105.376   21.064    21.746  3.5695  27.615  2.8906  -5.869480      4.593183 
1 1 1 -14 14  27 o 41.851  2.0493  241.422   22.823    236.957   31.826    246.150   32.748    41.456  2.8841  42.245  2.9120  -0.7883186     4.098505 
1 1 1 -14 14  28 o 23.186  2.5153  77.374    14.861    61.161    20.965    93.747    21.068    20.513  3.9590  25.858  3.1039  -5.344784      5.030691 
1 1 1 -14 14  29 o 15.847  2.8666  37.086    12.200    35.065    16.685    39.409    17.883    15.398  4.0069  16.296  4.1005  -0.8981991     5.733173 
1 1 1 -14 14  30 o 11.990  2.5620  15.904    10.697    -2.8351   14.529    38.086    15.807    7.9257  3.4977  16.054  3.7446  -8.128612      5.124079 
1 1 1 -14 14  31 o 15.251  2.6831  34.904    12.218    56.426    17.009    11.963    17.561    19.750  3.3342  10.752  4.2046  8.997840       5.366118 
1 1 1 -14 14  32 o 30.068  2.2913  129.308   18.102    139.624   25.608    119.004   25.592    31.364  3.0884  28.772  3.3856  2.591221       4.582616 
1 1 1 -14 14  33 o 27.277  2.4788  108.595   17.553    120.881   24.729    96.120    24.919    29.010  3.2377  25.543  3.7542  3.467428       4.957540 
1 1 1 -14 14  34 o 17.365  2.9805  47.312    14.133    62.539    19.906    31.833    20.069    20.396  3.7829  14.333  4.6070  6.063348       5.961081 
1 1 1 -14 14  35 o 17.130  4.2530  46.601    19.424    0.0000    0.0000    46.601    19.424    ?       ?       17.130  4.2530  ?              ?        
1 1 1 -14 15  1  o 195.980 3.8808  5180.13   203.706   5120.20   287.495   5240.56   288.676   194.837 5.5090  197.124 5.4674  -2.287247      7.761537 
1 1 1 -14 15  2  o 44.415  1.8305  265.500   21.682    265.759   30.558    265.237   30.768    44.437  2.5785  44.392  2.5990  0.4550552E-01  3.661019 
1 1 1 -14 15  3  o 62.094  1.9678  517.311   32.727    518.936   46.155    515.668   46.413    62.192  2.7707  61.995  2.7951  0.1970901      3.935621 
1 1 1 -14 15  4  f 207.188 4.1090  5795.12   228.008   5705.42   322.346   5884.94   322.557   205.571 5.8543  208.804 5.7674  -3.233765      8.217969 
1 1 1 -14 15  5  o 154.639 3.2180  3219.07   133.258   3138.49   188.497   3299.57   188.413   152.695 4.6088  156.584 4.4924  -3.889236      6.436029 
1 1 1 -14 15  6  o 41.277  1.8592  229.500   20.447    227.638   28.968    231.349   28.865    41.108  2.6450  41.446  2.6135  -0.3381386     3.718375 
1 1 1 -14 15  7  o 62.290  1.9716  520.770   32.889    512.901   46.675    528.531   46.352    61.822  2.8187  62.759  2.7574  -0.9376755     3.943155 
1 1 1 -14 15  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 15  9  o 103.798 2.4513  1448.32   68.123    1500.20   96.562    1396.92   96.120    105.654 3.4122  101.941 3.5203  3.713226       4.902577 
1 1 1 -14 15  10 f 84.295  2.2107  954.738   49.908    972.248   70.714    937.359   70.447    85.067  3.1036  83.523  3.1490  1.544205       4.421328 
1 1 1 -14 15  11 o 94.758  2.3470  1207.56   59.569    1217.88   84.429    1197.32   84.058    95.162  3.3124  94.354  3.3261  0.8080139      4.694096 
1 1 1 -14 15  12 o 89.029  2.3069  1066.42   55.012    1068.71   77.844    1064.14   77.753    89.124  3.2609  88.933  3.2641  0.1914749      4.613888 
1 1 1 -14 15  13 o 15.846  2.5590  35.340    10.662    29.771    15.187    40.753    14.973    14.593  3.8351  17.099  3.3890  -2.505943      5.117961 
1 1 1 -14 15  14 o 70.610  2.0750  671.221   39.224    696.954   55.560    645.653   55.381    71.965  2.8824  69.254  2.9856  2.711349       4.149929 
1 1 1 -14 15  15 o 8.9182  2.3595  7.8544    7.6707    10.378    10.686    5.1718    11.018    9.4527  3.3593  8.3837  3.3143  1.069016       4.719055 
1 1 1 -14 15  16 o 59.318  1.9634  474.297   31.172    451.283   43.941    497.610   44.227    57.861  2.8353  60.774  2.7169  -2.913410      3.926874 
1 1 1 -14 15  17 o 8.8580  2.2419  6.4196    7.6057    -3.9594   10.887    16.312    10.629    6.7635  3.0041  10.953  3.3287  -4.189080      4.483841 
1 1 1 -14 15  18 f 41.002  1.8904  228.014   20.607    210.949   28.992    245.439   29.296    39.428  2.7628  42.577  2.5811  -3.148987      3.780870 
1 1 1 -14 15  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 15  20 o 15.637  2.4358  35.104    10.123    48.464    14.301    21.686    14.332    18.689  2.9551  12.585  3.8729  6.104217       4.871557 
1 1 1 -14 15  21 o 52.345  1.9784  372.425   27.636    374.838   38.921    369.971   39.247    52.522  2.7765  52.168  2.8192  0.3546371      3.956863 
1 1 1 -14 15  22 o 47.580  1.9850  308.962   25.123    328.819   35.256    288.477   35.809    49.175  2.6869  45.985  2.9225  3.189426       3.969909 
1 1 1 -14 15  23 o 22.404  2.2543  69.870    12.999    57.748    18.005    83.066    18.785    20.270  3.4392  24.538  2.9153  -4.267311      4.508517 
1 1 1 -14 15  24 o 24.490  2.2017  83.243    14.111    80.713    19.662    85.930    20.262    24.100  3.1193  24.881  3.1082  -0.7809906     4.403492 
1 1 1 -14 15  25 o 67.040  2.1468  616.317   38.544    601.391   54.085    631.722   54.943    66.208  3.0498  67.872  3.0223  -1.663612      4.293671 
1 1 1 -14 15  26 o 34.510  2.1043  165.258   19.213    173.591   26.808    156.458   27.550    35.460  2.8465  33.560  3.0999  1.900139       4.208536 
1 1 1 -14 15  27 o 18.241  3.7847  48.353    17.885    0.0000    0.0000    48.353    17.885    ?       ?       18.241  3.7847  ?              ?        
1 1 1 -14 15  28 o 28.635  2.2058  115.411   16.643    113.317   23.493    117.521   23.580    28.360  3.1457  28.910  3.0931  -0.5500717     4.411661 
1 1 1 -14 15  29 o 26.257  2.3620  99.147    16.026    113.130   22.463    84.650    22.872    28.332  3.0059  24.182  3.6443  4.150133       4.724020 
1 1 1 -14 15  30 o 31.400  2.2350  139.992   18.443    124.170   25.793    156.546   26.382    29.476  3.3251  33.324  2.9874  -3.848831      4.469987 
1 1 1 -14 15  31 o 32.104  2.2330  147.007   18.883    153.884   26.133    139.495   27.315    32.994  2.9895  31.214  3.3179  1.779860       4.466040 
1 1 1 -14 15  32 o 15.877  3.0054  39.310    13.443    49.448    18.299    27.426    19.812    18.136  3.8841  13.618  4.5872  4.517834       6.010712 
1 1 1 -14 15  33 o 10.110  2.8075  9.4528    11.529    1.2266    16.271    17.746    16.337    8.7779  3.7899  11.442  4.1431  -2.664400      5.615085 
1 1 1 -14 15  34 o 14.737  3.7442  32.270    16.469    40.382    35.875    30.105    18.537    15.653  6.0404  13.821  4.4261  1.831729       7.488435 
1 1 1 -14 16  1  o 20.900  2.1549  59.961    11.612    69.514    16.661    50.938    16.193    22.587  2.8151  19.213  3.2635  3.374224       4.309891 
1 1 1 -14 16  2  o 63.284  1.9741  537.391   33.449    517.913   47.101    557.208   47.509    62.125  2.8306  64.442  2.7524  -2.317173      3.948159 
1 1 1 -14 16  3  o 53.783  1.9239  388.769   27.648    404.097   39.125    373.479   39.075    54.881  2.6616  52.684  2.7789  2.197277       3.847880 
1 1 1 -14 16  4  o 83.695  2.1889  940.526   49.062    921.135   69.340    959.967   69.430    82.829  3.1254  84.561  3.0654  -1.731926      4.377811 
1 1 1 -14 16  5  o 86.758  2.2453  1011.08   52.154    977.737   73.759    1044.42   73.755    85.324  3.2274  88.193  3.1223  -2.869400      4.490543 
1 1 1 -14 16  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 16  7  o 141.316 3.6865  2692.28   132.515   2682.09   163.452   2711.80   226.359   141.110 4.3246  141.522 5.9715  -0.4118958     7.372982 
1 1 1 -14 16  8  o 79.739  2.1809  854.244   46.578    862.265   66.051    846.310   65.694    80.111  3.0782  79.366  3.0903  0.7456589      4.361802 
1 1 1 -14 16  9  o 105.885 2.5001  1508.69   70.904    1502.59   100.515   1514.74   100.034   105.670 3.5513  106.100 3.5200  -0.4306564     5.000229 
1 1 1 -14 16  10 o 38.180  1.9069  197.129   19.334    184.140   27.470    209.877   27.215    36.913  2.7992  39.446  2.5902  -2.532658      3.813788 
1 1 1 -14 16  11 o 51.539  1.9663  357.964   27.008    390.236   38.435    326.485   37.960    53.887  2.6629  49.190  2.8939  4.697266       3.932581 
1 1 1 -14 16  12 o 18.908  2.3227  49.758    11.290    43.482    16.025    55.942    15.907    17.652  3.5129  20.165  3.0395  -2.512362      4.645386 
1 1 1 -14 16  13 o 32.691  1.9065  144.764   16.545    146.585   23.444    142.956   23.352    32.899  2.6838  32.484  2.7086  0.4158363      3.813071 
1 1 1 -14 16  14 o 17.287  2.3367  41.821    10.407    36.320    14.722    47.316    14.714    16.086  3.5152  18.488  3.0797  -2.401751      4.673409 
1 1 1 -14 16  15 o 62.575  2.0139  528.166   33.753    531.927   47.778    524.419   47.691    62.799  2.8404  62.352  2.8556  0.4471130      4.027722 
1 1 1 -14 16  16 o 35.631  1.8979  172.497   17.923    157.130   25.276    188.040   25.420    34.004  2.8000  37.259  2.5627  -3.255177      3.795748 
1 1 1 -14 16  17 o 36.357  1.9061  179.566   18.410    169.801   25.961    189.443   26.110    35.344  2.7644  37.369  2.6252  -2.025711      3.812272 
1 1 1 -14 16  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 16  19 o 43.506  1.9498  257.281   22.603    259.310   31.968    255.252   31.962    43.680  2.7464  43.331  2.7684  0.3493385      3.899538 
1 1 1 -14 16  20 o 63.217  2.0515  542.585   34.725    558.394   49.040    526.688   49.176    64.154  2.8539  62.279  2.9480  1.874805       4.103086 
1 1 1 -14 16  21 o 74.073  2.2083  747.986   43.790    773.422   61.786    722.314   62.071    75.364  3.0608  72.782  3.1840  2.581917       4.416614 
1 1 1 -14 16  22 o 19.685  2.4606  56.032    12.219    75.898    17.319    36.347    17.241    23.459  2.8124  15.911  4.0385  7.547352       4.921286 
1 1 1 -14 16  23 o 26.616  2.1125  98.025    14.788    101.973   20.902    94.068    20.925    27.178  2.9169  26.053  3.0566  1.124784       4.225035 
1 1 1 -14 16  24 o 51.463  2.0339  363.593   27.905    345.596   39.120    382.236   39.816    50.141  2.9256  52.785  2.8264  -2.643795      4.067886 
1 1 1 -14 16  25 o 32.453  2.1193  146.048   18.163    132.829   25.309    160.083   26.080    30.889  3.1009  34.017  2.8897  -3.127766      4.238645 
1 1 1 -14 16  26 o 8.7473  3.6041  4.1251    13.636    0.0000    0.0000    4.1251    13.636    ?       ?       8.7473  3.6041  ?              ?        
1 1 1 -14 16  27 o 11.145  2.7178  14.922    10.594    25.485    14.864    4.0174    15.102    13.229  3.9176  9.0599  3.7680  4.169274       5.435538 
1 1 1 -14 16  28 o 11.572  2.7265  17.024    10.791    28.713    15.072    4.7324    15.456    13.927  3.8906  9.2178  3.8209  4.708863       5.453098 
1 1 1 -14 16  29 o 14.768  2.9183  32.678    12.093    27.257    16.953    38.293    17.255    13.578  4.2177  15.959  4.0344  -2.381037      5.836597 
1 1 1 -14 16  30 o 23.460  2.5181  80.110    15.322    78.192    21.364    82.141    21.986    23.169  3.5563  23.752  3.5660  -0.5831947     5.036219 
1 1 1 -14 16  31 o 16.476  3.0201  42.233    13.709    51.583    18.879    31.804    19.939    18.505  3.9302  14.446  4.5866  4.058879       6.040184 
1 1 1 -14 16  32 o 13.530  2.8898  25.340    12.570    8.6504    17.108    44.925    18.532    9.9983  4.0684  17.061  4.1051  -7.063129      5.779633 
1 1 1 -14 16  33 o 15.305  3.0997  37.708    13.595    29.949    19.716    44.742    18.771    13.788  4.5750  16.823  4.1835  -3.034554      6.199398 
1 1 1 -14 17  1  o 94.543  2.3020  1200.42   58.291    1185.42   82.030    1215.72   82.847    93.946  3.2599  95.140  3.2511  -1.193924      4.603972 
1 1 1 -14 17  2  o 113.867 2.6224  1743.05   79.976    1720.14   112.796   1766.20   113.414   113.113 3.7230  114.620 3.6941  -1.507591      5.244741 
1 1 1 -14 17  3  o 43.582  1.8637  255.817   21.652    255.622   30.443    256.017   30.802    43.567  2.6210  43.598  2.6503  -0.3113556E-01 3.727382 
1 1 1 -14 17  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 17  5  o 28.851  2.3226  110.986   17.061    104.613   21.324    122.323   28.440    27.759  2.9113  29.943  3.6195  -2.183584      4.645100 
1 1 1 -14 17  6  o 69.023  2.0733  640.047   38.326    629.916   54.248    650.144   54.155    68.476  2.9577  69.570  2.9062  -1.094467      4.146580 
1 1 1 -14 17  7  o 82.120  2.2159  907.018   48.715    875.887   69.011    937.938   68.777    80.709  3.1923  83.532  3.0740  -2.822090      4.431762 
1 1 1 -14 17  8  o 26.877  1.9991  98.158    14.154    104.562   20.157    91.928    19.880    27.762  2.7468  25.991  2.9053  1.770163       3.998173 
1 1 1 -14 17  9  o 43.614  1.9563  256.779   22.728    249.853   32.176    263.676   32.109    43.019  2.8078  44.208  2.7250  -1.188942      3.912690 
1 1 1 -14 17  10 o 85.826  2.2643  992.101   52.051    992.301   73.768    991.902   73.455    85.834  3.2086  85.818  3.1956  0.1527405E-01  4.528499 
1 1 1 -14 17  11 o 65.363  2.0559  575.279   35.966    604.651   51.145    546.544   50.587    67.021  2.8491  63.706  2.9646  3.315147       4.111732 
1 1 1 -14 17  12 o 144.758 3.1252  2846.35   121.174   2857.96   171.553   2834.79   171.180   145.054 4.4155  144.461 4.4240  0.5930634      6.250431 
1 1 1 -14 17  13 o 94.021  2.3790  1195.31   59.906    1178.66   84.799    1211.91   84.642    93.360  3.3911  94.682  3.3376  -1.321960      4.758051 
1 1 1 -14 17  14 o 14.985  2.4791  31.547    9.7825    34.992    14.144    28.388    13.545    15.773  3.4443  14.197  3.5665  1.576071       4.958134 
1 1 1 -14 17  15 o 88.772  2.2996  1067.96   54.672    1089.56   77.367    1046.41   77.268    89.678  3.2209  87.865  3.2832  1.813446       4.599288 
1 1 1 -14 17  16 o 70.537  4.6886  687.579   88.079    0.0000    0.0000    687.579   88.079    ?       ?       70.537  4.6886  ?              ?        
1 1 1 -14 17  17 o 56.459  1.9929  432.230   30.079    422.245   42.518    442.235   42.558    55.763  2.8563  57.156  2.7799  -1.393658      3.985741 
1 1 1 -14 17  18 o 36.606  1.9470  182.638   18.914    169.691   26.633    195.813   26.866    35.269  2.8435  37.943  2.6603  -2.674400      3.893929 
1 1 1 -14 17  19 o 35.898  1.9813  176.097   18.831    193.952   26.801    158.689   26.463    37.739  2.6686  34.057  2.9294  3.681831       3.962697 
1 1 1 -14 17  20 o 14.286  2.6623  28.867    10.739    17.932    15.147    39.920    15.228    11.796  4.0107  16.775  3.5022  -4.978940      5.324533 
1 1 1 -14 17  21 o 12.689  2.6645  22.577    9.7269    21.175    13.881    23.930    13.634    12.367  3.8124  13.011  3.7234  -0.6439419     5.329018 
1 1 1 -14 17  22 f 43.129  2.0084  255.361   23.033    270.536   32.495    240.038   32.654    44.457  2.7423  41.801  2.9351  2.656700       4.016804 
1 1 1 -14 17  23 o 38.651  2.0628  205.978   21.195    207.517   29.797    204.402   30.153    38.809  2.8871  38.493  2.9470  0.3164215      4.125568 
1 1 1 -14 17  24 o 43.687  2.0696  263.854   24.074    266.230   33.866    261.427   34.228    43.901  2.8963  43.473  2.9571  0.4274712      4.139182 
1 1 1 -14 17  25 o 29.664  5.8645  136.259   44.945    0.0000    0.0000    136.259   44.945    ?       ?       29.664  5.8645  ?              ?        
1 1 1 -14 17  26 f 33.454  2.1502  157.191   19.018    166.863   26.838    147.434   26.954    34.551  2.9275  32.356  3.1500  2.194439       4.300337 
1 1 1 -14 17  27 o 13.799  2.7895  28.102    11.538    15.064    16.779    39.798    15.891    11.185  4.1730  16.413  3.7029  -5.227625      5.579046 
1 1 1 -14 17  28 o 12.698  2.8865  22.493    11.627    13.016    16.255    32.424    16.639    10.706  4.0822  14.690  4.0822  -3.984076      5.773073 
1 1 1 -14 17  29 o 8.0513  2.3400  -3.6014   9.3845    -19.5925  13.060    13.469    13.494    5.7581  2.7834  10.344  3.7624  -4.586267      4.680003 
1 1 1 -14 17  30 o 22.090  2.7356  72.881    15.562    66.188    21.998    79.586    22.017    20.937  4.0694  23.244  3.6572  -2.307190      5.471243 
1 1 1 -14 17  31 o 25.587  2.5817  97.276    16.993    81.703    23.780    113.525   24.291    23.247  3.9611  27.926  3.3120  -4.679163      5.163301 
1 1 1 -14 17  32 o 11.280  3.0027  16.459    12.633    9.6347    18.246    22.743    17.509    10.219  4.1849  12.341  4.3072  -2.121205      6.005465 
1 1 1 -14 18  1  f 65.893  4.3049  587.394   75.561    0.0000    0.0000    587.394   75.561    ?       ?       65.893  4.3049  ?              ?        
1 1 1 -14 18  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 18  3  o 69.016  2.0566  639.809   38.016    632.247   53.603    647.463   53.925    68.605  2.9171  69.426  2.8999  -0.8218613     4.113201 
1 1 1 -14 18  4  o 156.911 3.2881  3325.62   138.130   3206.06   195.067   3445.86   195.626   154.060 4.7272  159.762 4.5716  -5.701889      6.576145 
1 1 1 -14 18  5  o 191.161 3.8900  4957.64   199.100   4796.60   281.446   5118.97   281.695   188.014 5.5888  194.308 5.4125  -6.293915      7.780077 
1 1 1 -14 18  6  o 48.601  1.9485  318.522   25.255    311.333   35.766    325.671   35.666    48.048  2.7911  49.154  2.7195  -1.106152      3.896938 
1 1 1 -14 18  7  o 29.177  2.0465  115.591   15.776    116.214   22.683    115.009   21.955    29.249  2.9350  29.106  2.8529  0.1423016      4.093053 
1 1 1 -14 18  8  o 110.691 2.5933  1653.49   76.885    1649.20   108.961   1657.75   108.504   110.545 3.6799  110.837 3.6549  -0.2918091     5.186528 
1 1 1 -14 18  9  o 43.985  1.9152  261.395   22.443    253.157   31.806    269.565   31.674    43.285  2.7577  44.685  2.6583  -1.399548      3.830352 
1 1 1 -14 18  10 o 98.558  2.4254  1312.02   64.026    1322.97   90.779    1301.18   90.315    98.968  3.4245  98.147  3.4355  0.8209152      4.850791 
1 1 1 -14 18  11 o 127.499 2.9099  2208.06   99.342    2280.00   140.841   2136.83   140.143   129.590 4.0576  125.407 4.1722  4.183342       5.819876 
1 1 1 -14 18  12 f 51.297  1.9621  355.991   26.858    359.764   38.204    352.304   37.766    51.567  2.7762  51.028  2.7735  0.5385246      3.924257 
1 1 1 -14 18  13 o 64.963  2.0707  570.888   35.996    543.523   50.994    598.065   50.819    63.395  3.0031  66.532  2.8517  -3.136566      4.141397 
1 1 1 -14 18  14 o 77.012  2.1657  803.378   44.670    813.268   63.400    793.630   62.948    77.485  3.0548  76.539  3.0705  0.9456940      4.331304 
1 1 1 -14 18  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 18  16 o 68.590  2.1023  638.331   38.620    647.594   54.671    629.105   54.562    69.092  2.9542  68.088  2.9918  1.004639       4.204532 
1 1 1 -14 18  17 o 45.942  1.9830  287.292   24.258    304.658   34.555    270.416   34.063    47.333  2.7372  44.551  2.8698  2.782539       3.965913 
1 1 1 -14 18  18 o 26.531  2.1482  97.340    14.879    109.361   21.067    85.374    21.018    28.241  2.8229  24.820  3.2388  3.421585       4.296319 
1 1 1 -14 18  19 o 23.378  2.2158  75.898    13.509    79.944    19.162    71.898    19.049    24.030  3.0453  22.726  3.2195  1.304882       4.431625 
1 1 1 -14 18  20 o 21.787  2.4858  68.434    13.454    95.937    19.330    42.589    18.738    26.398  2.7754  17.176  4.1249  9.221996       4.971663 
1 1 1 -14 18  21 o 22.066  2.3633  68.920    13.400    58.882    19.068    78.713    18.834    20.346  3.6322  23.786  3.0247  -3.439774      4.726653 
1 1 1 -14 18  22 o 27.092  2.2271  102.406   15.856    103.470   22.700    101.393   22.157    27.223  3.1727  26.961  3.1262  0.2622280      4.454132 
1 1 1 -14 18  23 o 21.193  2.5706  64.931    13.879    49.594    19.448    80.851    19.813    18.408  4.0539  23.978  3.1621  -5.569649      5.141294 
1 1 1 -14 18  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 18  25 o 13.230  2.4421  21.969    11.058    48.844    15.765    -4.0618   15.515    18.403  3.3204  8.0570  3.5821  10.34611       4.884269 
1 1 1 -14 18  26 o 23.018  2.4874  76.645    14.846    74.528    20.839    78.827    21.156    22.676  3.5472  23.360  3.4879  -0.6846008     4.974742 
1 1 1 -14 18  27 o 23.445  2.5055  79.830    15.239    78.368    21.238    81.381    21.878    23.230  3.5238  23.661  3.5626  -0.4306698     5.010941 
1 1 1 -14 18  28 o 12.942  2.6175  20.936    11.866    -3.9671   16.813    45.650    16.749    8.3510  3.7198  17.534  3.6834  -9.182705      5.234940 
1 1 1 -14 18  29 o 22.034  2.7982  72.877    15.899    76.022    22.451    69.713    22.519    22.582  3.8499  21.485  4.0619  1.097130       5.596472 
1 1 1 -14 18  30 o 29.086  2.5182  125.685   18.790    150.534   26.586    100.884   26.560    32.322  3.1092  25.851  3.9622  6.471136       5.036464 
1 1 1 -14 18  31 o 15.099  4.4171  36.719    18.998    0.0000    0.0000    36.719    18.998    ?       ?       15.099  4.4171  ?              ?        
1 1 1 -14 19  1  o 75.755  2.1128  771.415   42.868    775.013   60.373    767.757   60.879    75.935  2.9683  75.575  3.0074  0.3598938      4.225577 
1 1 1 -14 19  2  o 107.055 2.5291  1543.50   72.518    1548.95   102.225   1537.99   102.890   107.248 3.5586  106.862 3.5947  0.3860779      5.058187 
1 1 1 -14 19  3  o 51.160  1.9419  352.922   26.481    332.097   37.308    374.067   37.592    49.625  2.8184  52.695  2.6722  -3.069328      3.883787 
1 1 1 -14 19  4  o 72.483  2.1163  706.860   41.062    674.800   57.809    739.505   58.335    70.818  3.0477  74.148  2.9373  -3.329849      4.232699 
1 1 1 -14 19  5  f 129.687 2.8885  2274.31   100.237   2154.92   141.525   2394.49   141.989   126.241 4.1855  133.134 3.9818  -6.892990      5.776913 
1 1 1 -14 19  6  o 62.947  2.0365  533.373   34.326    549.490   48.641    517.385   48.448    63.898  2.8420  61.995  2.9176  1.902927       4.073009 
1 1 1 -14 19  7  f 35.265  1.9336  168.305   18.109    176.613   25.879    160.335   25.348    36.128  2.6938  34.401  2.7746  1.726059       3.867120 
1 1 1 -14 19  8  o 54.000  1.9863  393.968   28.625    386.965   40.612    400.883   40.353    53.516  2.8434  54.484  2.7744  -0.9678307     3.972679 
1 1 1 -14 19  9  o 59.705  2.0478  480.708   32.740    496.024   46.653    465.845   45.957    60.646  2.8720  58.765  2.9198  1.880756       4.095549 
1 1 1 -14 19  10 o 38.955  1.9407  205.661   20.117    209.945   28.659    201.499   28.246    39.358  2.7355  38.552  2.7535  0.8065948      3.881350 
1 1 1 -14 19  11 o 105.107 2.5425  1500.33   71.578    1515.48   101.481   1485.33   100.973   105.639 3.5865  104.576 3.6048  1.063492       5.085077 
1 1 1 -14 19  12 o 33.007  1.9855  148.723   17.314    134.522   24.527    162.830   24.446    31.393  2.9515  34.621  2.6564  -3.228172      3.970927 
1 1 1 -14 19  13 o 46.524  4.4707  300.173   55.025    0.0000    0.0000    300.173   55.025    ?       ?       46.524  4.4707  ?              ?        
1 1 1 -14 19  14 o 24.760  2.4421  84.925    15.348    84.501    19.633    85.592    24.611    24.778  3.0208  24.743  3.8379  0.3509140E-01  4.884127 
1 1 1 -14 19  15 o 47.728  2.0035  310.285   25.464    293.910   36.095    326.508   35.928    46.447  2.9162  49.009  2.7480  -2.562637      4.006932 
1 1 1 -14 19  16 o 61.832  2.0746  520.738   34.251    490.722   48.496    550.611   48.380    59.986  3.0281  63.678  2.8365  -3.692654      4.149160 
1 1 1 -14 19  17 o 52.820  2.0623  381.040   29.038    363.892   41.109    398.117   41.023    51.606  2.9868  54.034  2.8445  -2.428577      4.124601 
1 1 1 -14 19  18 o 50.033  2.0102  342.319   26.794    322.841   37.846    361.891   37.938    48.572  2.9226  51.493  2.7607  -2.921120      4.020331 
1 1 1 -14 19  19 o 16.585  2.6283  39.477    11.440    47.263    16.399    32.096    15.967    18.237  3.4841  14.933  3.9362  3.304374       5.256667 
1 1 1 -14 19  20 o 35.762  2.0999  176.606   19.923    182.692   28.220    170.559   28.130    36.398  2.9192  35.126  3.0193  1.272240       4.199712 
1 1 1 -14 19  21 o 29.302  2.2321  119.843   17.241    121.468   24.420    118.228   24.345    29.509  3.1378  29.095  3.1755  0.4139481      4.464259 
1 1 1 -14 19  22 o 28.679  2.2213  115.296   16.782    113.370   23.692    117.235   23.774    28.427  3.1654  28.932  3.1171  -0.5048885     4.442512 
1 1 1 -14 19  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 19  24 o 21.090  2.6978  65.856    14.471    87.451    20.811    45.643    20.135    24.789  3.2097  17.391  4.3371  7.397449       5.395671 
1 1 1 -14 19  25 o 17.705  2.8531  47.280    13.270    40.580    19.079    53.559    18.471    16.357  4.2985  19.053  3.7528  -2.696363      5.706145 
1 1 1 -14 19  26 o 23.340  2.5848  79.885    15.491    92.483    22.050    67.610    21.766    25.358  3.3268  21.322  3.9570  4.035816       5.169631 
1 1 1 -14 19  27 o 19.793  2.8266  59.953    14.441    44.773    20.802    74.077    20.065    17.015  4.4965  22.571  3.4265  -5.555937      5.653286 
1 1 1 -14 19  28 o 12.601  2.5723  16.929    12.240    47.074    17.305    -13.2464  17.314    17.692  3.7674  7.5102  3.5034  10.18140       5.144650 
1 1 1 -14 19  29 o 8.7955  2.5341  -1.9928   10.904    -20.4767  15.205    17.574    15.644    6.3007  3.0351  11.290  4.0590  -4.989510      5.068263 
1 1 1 -14 20  1  o 103.483 2.4706  1443.42   68.462    1398.33   96.329    1489.44   97.318    101.843 3.5313  105.123 3.4563  -3.279976      4.941275 
1 1 1 -14 20  2  o 77.339  2.1630  805.319   44.804    804.768   63.077    805.880   63.652    77.314  3.0460  77.364  3.0718  -0.4991150E-01 4.325945 
1 1 1 -14 20  3  o 50.237  1.9600  340.937   26.238    358.979   37.017    322.720   37.196    51.590  2.6882  48.885  2.8532  2.704937       3.920071 
1 1 1 -14 20  4  o 67.610  2.0804  615.719   37.670    603.673   53.136    627.891   53.413    66.942  2.9635  68.278  2.9207  -1.335289      4.160819 
1 1 1 -14 20  5  o 26.788  2.0128  97.709    14.203    91.764    19.871    103.919   20.309    25.936  2.9106  27.641  2.7809  -1.704472      4.025569 
1 1 1 -14 20  6  o 69.031  2.1191  642.968   39.166    622.016   55.350    663.978   55.427    67.896  3.0436  70.165  2.9493  -2.268776      4.238105 
1 1 1 -14 20  7  o 89.920  2.3539  1093.71   56.691    1086.91   80.241    1100.49   80.106    89.637  3.3421  90.203  3.3155  -0.5655594     4.707707 
1 1 1 -14 20  8  o 33.690  1.9623  154.374   17.498    140.789   24.631    168.215   24.862    32.162  2.8901  35.218  2.6551  -3.056313      3.924551 
1 1 1 -14 20  9  o 9.7098  2.4783  10.508    8.3167    7.8688    11.629    13.272    11.899    9.0782  3.4549  10.341  3.5541  -1.263142      4.956600 
1 1 1 -14 20  10 o 88.293  2.3213  1058.16   54.887    1039.70   77.824    1076.42   77.420    87.514  3.3201  89.073  3.2450  -1.558907      4.642545 
1 1 1 -14 20  11 o 98.431  2.4873  1320.57   65.494    1248.32   92.768    1392.37   92.478    95.697  3.6192  101.165 3.4128  -5.468796      4.974555 
1 1 1 -14 20  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 20  13 o 42.847  2.0174  250.684   22.948    230.741   32.633    270.196   32.277    41.116  2.9835  44.577  2.7163  -3.461594      4.034766 
1 1 1 -14 20  14 o 39.718  2.0142  215.260   21.284    215.124   30.292    215.392   29.911    39.701  2.8679  39.736  2.8288  -0.3484344E-01 4.028303 
1 1 1 -14 20  15 o 91.282  2.4265  1140.56   59.326    1136.16   84.066    1144.93   83.733    91.099  3.4453  91.465  3.4179  -0.3664932     4.852989 
1 1 1 -14 20  16 o 16.432  2.6988  38.756    11.665    35.489    16.676    41.887    16.323    15.725  3.9612  17.139  3.6666  -1.414078      5.397673 
1 1 1 -14 20  17 o 9.6379  2.5806  9.2842    9.2253    6.2274    13.175    12.225    12.922    9.0711  3.6122  10.205  3.6864  -1.133727      5.161108 
1 1 1 -14 20  18 o 17.417  2.5815  43.864    12.066    69.893    17.557    20.565    16.611    22.395  3.0025  12.439  4.2002  9.956443       5.163009 
1 1 1 -14 20  19 o 8.1952  2.4103  -0.7979   9.4492    -11.8102  13.469    9.8765    13.260    6.6483  3.0975  9.7420  3.6936  -3.093768      4.820539 
1 1 1 -14 20  20 o 8.0756  2.4356  0.5862    9.2970    1.8338    13.270    -0.6166   13.029    8.2958  3.4965  7.8555  3.3915  0.4402938      4.871149 
1 1 1 -14 20  21 o 43.845  2.1273  267.884   24.795    253.674   35.193    281.890   34.939    42.632  3.1033  45.059  2.9105  -2.426991      4.254561 
1 1 1 -14 20  22 o 42.783  2.4275  256.799   26.967    247.832   34.466    270.955   43.302    42.048  3.0817  43.518  3.7516  -1.470619      4.855021 
1 1 1 -14 20  23 o 28.949  2.2775  119.131   17.355    121.686   24.491    116.554   24.595    29.288  3.1728  28.609  3.2682  0.6782188      4.554987 
1 1 1 -14 20  24 o 14.753  3.0006  32.797    12.520    35.525    17.761    30.103    17.651    15.327  4.2013  14.178  4.2851  1.149305       6.001108 
1 1 1 -14 20  25 o 10.950  2.8752  14.108    11.460    20.334    16.402    8.1677    16.019    12.079  4.1715  9.8213  3.9581  2.257763       5.750454 
1 1 1 -14 20  26 o 8.8932  2.6002  1.2796    10.961    -12.0196  15.891    13.350    15.139    7.2520  3.3740  10.534  3.9573  -3.282337      5.200411 
1 1 1 -14 20  27 o 28.751  2.4850  120.808   18.700    130.744   26.968    111.606   25.952    29.962  3.4218  27.541  3.6045  2.421135       4.970007 
1 1 1 -14 20  28 o 23.818  2.7101  85.895    16.667    92.559    23.665    79.335    23.479    24.866  3.6629  22.771  3.9953  2.095043       5.420213 
1 1 1 -14 21  1  o 53.068  1.9331  380.114   27.382    376.047   38.499    384.278   38.954    52.780  2.7327  53.356  2.7349  -0.5757179     3.866159 
1 1 1 -14 21  2  o 23.089  2.0698  73.025    12.492    77.702    17.746    68.432    17.588    23.850  2.8334  22.329  3.0180  1.520599       4.139678 
1 1 1 -14 21  3  o 79.920  2.2102  862.351   47.310    867.274   66.668    857.356   67.148    80.154  3.1053  79.686  3.1460  0.4679794      4.420398 
1 1 1 -14 21  4  o 48.169  1.9611  314.067   25.154    292.351   35.403    336.205   35.746    46.466  2.8584  49.872  2.6859  -3.405632      3.922277 
1 1 1 -14 21  5  o 90.024  2.3516  1097.22   56.698    1077.51   80.035    1117.09   80.331    89.205  3.3496  90.843  3.3014  -1.638062      4.703145 
1 1 1 -14 21  6  o 62.044  2.0546  520.264   34.142    524.555   48.183    515.937   48.386    62.304  2.8873  61.783  2.9239  0.5209389      4.109210 
1 1 1 -14 21  7  o 30.171  2.0379  124.345   16.241    131.232   22.884    117.357   23.053    31.040  2.7820  29.302  2.9787  1.738005       4.075782 
1 1 1 -14 21  8  o 29.013  2.0422  115.019   15.656    118.148   22.283    111.969   22.001    29.411  2.8650  28.615  2.9110  0.7959194      4.084352 
1 1 1 -14 21  9  o 60.467  2.0785  495.689   33.657    487.917   47.744    503.367   47.455    59.988  2.9714  60.946  2.9070  -0.9583931     4.156922 
1 1 1 -14 21  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 21  11 o 68.419  2.1448  636.162   39.303    642.174   55.915    630.291   55.256    68.737  3.0370  68.101  3.0293  0.6363907      4.289526 
1 1 1 -14 21  12 o 66.314  2.1544  599.087   38.209    563.564   54.184    634.223   53.887    64.322  3.1450  68.305  2.9454  -3.983925      4.308899 
1 1 1 -14 21  13 o 51.342  2.0666  359.828   28.271    381.332   40.230    338.849   39.736    52.886  2.8506  49.799  2.9930  3.087219       4.133235 
1 1 1 -14 21  14 o 82.049  2.3373  921.816   51.365    928.935   72.870    914.785   72.416    82.365  3.3031  81.732  3.3079  0.6323776      4.674647 
1 1 1 -14 21  15 o 27.591  2.2334  105.691   16.071    121.267   23.013    90.865    22.452    29.665  2.9348  25.516  3.3673  4.148224       4.466748 
1 1 1 -14 21  16 o 15.335  2.7861  33.895    11.507    36.152    16.594    31.804    15.970    15.818  3.9334  14.853  3.9469  0.9647017      5.572171 
1 1 1 -14 21  17 o 23.081  2.4316  75.327    14.459    86.890    20.704    64.319    20.200    24.930  3.1725  21.231  3.6858  3.698267       4.863144 
1 1 1 -14 21  18 o 38.172  2.1457  202.319   21.629    229.070   30.962    176.822   30.227    40.727  2.8563  35.616  3.2028  5.111248       4.291463 
1 1 1 -14 21  19 f 43.241  2.1171  259.763   24.362    268.032   34.651    251.679   34.260    43.941  2.9614  42.540  3.0264  1.400429       4.234277 
1 1 1 -14 21  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 21  21 o 24.780  2.4831  88.620    15.914    78.287    22.487    98.986    22.523    23.190  3.7481  26.370  3.2581  -3.180061      4.966244 
1 1 1 -14 21  22 o 30.587  2.3399  133.572   18.849    128.662   26.691    138.456   26.623    29.979  3.3832  31.195  3.2333  -1.215872      4.679770 
1 1 1 -14 21  23 o 45.754  2.1780  295.857   26.523    307.248   37.662    284.648   37.359    46.670  3.0292  44.838  3.1304  1.832355       4.356032 
1 1 1 -14 21  24 o 13.528  3.0585  27.227    12.599    23.601    18.292    30.500    17.378    12.846  4.4071  14.211  4.2421  -1.365415      6.117031 
1 1 1 -14 21  25 o 16.291  2.9303  39.327    13.912    64.183    20.501    18.113    18.940    20.722  3.8348  11.859  4.4318  8.863298       5.860626 
1 1 1 -14 21  26 o 34.285  2.3707  170.977   21.452    181.207   30.343    160.754   30.332    35.409  3.2350  33.160  3.4663  2.248791       4.741376 
1 1 1 -14 21  27 o 24.333  2.8109  91.593    17.397    72.725    24.666    110.270   24.540    21.391  4.4501  27.276  3.4353  -5.884823      5.621772 
1 1 1 -14 22  1  f 20.881  2.2344  60.366    12.072    65.071    17.018    55.599    17.128    21.749  3.0013  20.013  3.3110  1.735617       4.468833 
1 1 1 -14 22  2  o 28.312  1.9836  109.389   14.820    115.038   20.849    103.619   21.071    29.075  2.7083  27.548  2.8991  1.527042       3.967294 
1 1 1 -14 22  3  o 71.462  2.0968  690.762   40.094    651.592   56.423    730.715   56.983    69.398  3.0354  73.525  2.8935  -4.126823      4.193546 
1 1 1 -14 22  4  o 27.817  2.1282  106.492   15.363    127.291   21.958    86.547    21.502    30.579  2.7089  25.055  3.2830  5.523960       4.256334 
1 1 1 -14 22  5  o 73.383  2.1694  729.985   42.636    740.289   60.265    719.659   60.329    73.908  3.0443  72.858  3.0914  1.050522       4.338729 
1 1 1 -14 22  6  o 20.819  2.2924  60.501    12.235    49.769    17.141    71.650    17.470    18.823  3.5295  22.815  2.9262  -3.991936      4.584747 
1 1 1 -14 22  7  o 84.647  2.3182  974.980   52.554    957.863   74.320    992.099   74.325    83.892  3.3075  85.402  3.2492  -1.509949      4.636439 
1 1 1 -14 22  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 22  9  o 27.666  2.1105  105.432   15.315    94.527    21.627    116.398   21.689    26.173  3.1482  29.160  2.8118  -2.986498      4.221071 
1 1 1 -14 22  10 o 57.184  2.1140  446.047   32.266    447.664   45.858    444.461   45.407    57.284  2.9992  57.085  2.9800  0.1993027      4.227981 
1 1 1 -14 22  11 o 69.652  2.1915  661.662   40.874    680.885   58.023    642.726   57.589    70.670  3.0653  68.634  3.1327  2.035751       4.382901 
1 1 1 -14 22  12 o 59.060  2.1255  476.612   33.533    500.722   47.654    452.967   47.194    60.604  2.9357  57.516  3.0745  3.088161       4.251009 
1 1 1 -14 22  13 o 73.228  2.2504  734.893   44.133    724.969   62.579    744.713   62.250    72.720  3.2128  73.736  3.1519  -1.015617      4.500721 
1 1 1 -14 22  14 o 21.225  2.5057  63.885    13.650    74.903    19.575    53.457    19.043    23.134  3.2486  19.317  3.8160  3.817205       5.011469 
1 1 1 -14 22  15 o 42.017  2.1200  243.588   23.643    265.632   33.819    222.514   33.066    43.929  2.8904  40.106  3.1023  3.822765       4.240074 
1 1 1 -14 22  16 o 11.864  2.8844  18.212    11.255    13.110    15.977    23.238    15.859    10.853  4.0676  12.876  4.0907  -2.023535      5.768791 
1 1 1 -14 22  17 o 40.734  2.1498  231.135   23.219    213.292   32.931    248.773   32.743    39.094  3.1722  42.374  2.9023  -3.279873      4.299608 
1 1 1 -14 22  18 o 14.645  2.9359  30.899    12.440    42.646    18.107    20.397    17.120    16.980  4.0399  12.310  4.2613  4.669260       5.871881 
1 1 1 -14 22  19 o 7.8000  3.5094  -5.9105   15.375    -5.9105   15.375    0.0000    0.0000    7.8000  3.5094  ?       ?       ?              ?        
1 1 1 -14 22  20 o 11.726  2.8175  17.320    11.327    28.966    16.134    6.0011    15.905    13.956  4.0671  9.4966  3.9002  4.459228       5.634967 
1 1 1 -14 22  21 o 20.421  2.7929  62.100    14.715    61.012    21.144    63.122    20.492    20.193  4.0501  20.648  3.8467  -0.4550095     5.585723 
1 1 1 -14 22  22 o 45.742  2.2380  297.161   27.175    323.508   38.719    271.585   38.149    47.851  3.0367  43.633  3.2884  4.218082       4.476038 
1 1 1 -14 22  23 o 31.141  2.3876  139.650   19.554    151.205   28.160    128.891   27.173    32.452  3.2850  29.829  3.4657  2.622837       4.775123 
1 1 1 -14 22  24 o 15.968  3.2355  39.981    14.556    42.232    20.913    37.866    20.272    16.384  4.5848  15.551  4.5667  0.8323174      6.471095 
1 1 1 -14 22  25 f 16.868  3.1358  45.176    14.529    53.903    20.625    36.579    20.471    18.575  4.2390  15.161  4.6221  3.414424       6.271535 
1 1 1 -14 22  26 o 6.7863  2.2583  -13.0023  10.538    -14.4852  14.512    -11.3482  15.328    6.5308  3.0959  7.0418  3.2887  -0.5109668     4.516652 
1 1 1 -14 23  1  o 20.611  2.2930  59.068    12.215    63.664    17.299    54.498    17.249    21.459  3.0996  19.763  3.3799  1.695368       4.585996 
1 1 1 -14 23  2  o 45.308  1.9328  278.637   23.338    268.481   32.798    289.054   33.215    44.461  2.7678  46.154  2.6986  -1.693478      3.865608 
1 1 1 -14 23  3  o 62.108  2.0402  522.796   33.923    501.411   47.776    544.540   48.175    60.814  2.9330  63.401  2.8369  -2.586426      4.080472 
1 1 1 -14 23  4  o 47.733  1.9844  309.989   25.228    292.188   35.606    327.936   35.751    46.332  2.8834  49.135  2.7272  -2.802639      3.968867 
1 1 1 -14 23  5  o 25.678  3.0656  90.838    20.667    0.0000    0.0000    90.838    20.667    ?       ?       25.678  3.0656  ?              ?        
1 1 1 -14 23  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 23  7  o 62.392  2.1087  529.540   35.231    515.392   49.735    543.791   49.915    61.544  3.0171  63.240  2.9468  -1.695824      4.217398 
1 1 1 -14 23  8  o 46.823  2.0448  299.277   25.518    298.858   36.187    299.692   35.990    46.787  2.9019  46.859  2.8815  -0.7174683E-01 4.089503 
1 1 1 -14 23  9  o 36.954  2.0668  187.080   20.289    188.887   28.902    185.325   28.487    37.129  2.9301  36.779  2.9156  0.3496208      4.133530 
1 1 1 -14 23  10 o 25.035  2.3113  87.243    15.056    97.243    21.555    77.718    21.038    26.506  3.0944  23.565  3.4340  2.940943       4.622526 
1 1 1 -14 23  11 o 63.429  2.1598  550.610   36.693    551.425   52.053    549.805   51.732    63.472  3.0618  63.385  3.0470  0.8671570E-01  4.319609 
1 1 1 -14 23  12 o 26.112  2.3428  95.517    15.872    82.070    22.265    109.413   22.634    24.133  3.5505  28.092  3.0575  -3.958307      4.685526 
1 1 1 -14 23  13 o 71.713  2.2816  709.794   43.780    675.136   62.009    744.240   61.819    69.911  3.3115  73.515  3.1395  -3.604233      4.563125 
1 1 1 -14 23  14 o 22.012  2.6049  69.595    14.726    60.026    20.868    79.086    20.783    20.359  3.9694  23.664  3.3744  -3.305304      5.209894 
1 1 1 -14 23  15 o 35.141  2.2075  172.541   20.520    162.482   29.182    182.379   28.859    34.067  3.2370  36.215  3.0022  -2.148056      4.414910 
1 1 1 -14 23  16 o 12.916  2.9286  23.432    11.570    28.213    16.643    18.961    16.096    13.907  4.1516  11.924  4.1316  1.982116       5.857100 
1 1 1 -14 23  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 23  18 o 18.922  2.8881  53.702    14.219    47.874    20.317    59.298    19.908    17.791  4.3090  20.053  3.8465  -2.261068      5.776113 
1 1 1 -14 23  19 o 13.800  2.9815  27.787    12.572    17.024    17.774    38.564    17.786    11.626  4.3035  15.973  4.1275  -4.346588      5.962921 
1 1 1 -14 23  20 o 9.9485  2.7935  6.9672    11.666    17.503    16.809    -2.8231   16.204    11.567  4.2004  8.3299  3.6840  3.237230       5.587065 
1 1 1 -14 23  21 o 8.1817  2.5377  -1.5625   10.668    -4.1217   15.929    0.5186    14.364    8.0926  3.6116  8.2708  3.5660  -0.1782045     5.075386 
1 1 1 -14 23  22 o 24.376  2.7758  89.015    17.421    79.764    24.780    98.055    24.497    22.929  4.1893  25.824  3.6428  -2.895037      5.551597 
1 1 1 -14 23  23 o 16.071  3.1597  40.665    14.290    48.772    20.278    32.667    20.141    17.665  4.3213  14.477  4.6111  3.188207       6.319494 
1 1 1 -14 23  24 o 35.442  2.4278  184.949   22.741    194.451   32.637    175.981   31.705    36.372  3.3890  34.512  3.4772  1.860798       4.855565 
1 1 1 -14 24  1  o 22.661  2.2143  71.223    12.986    81.242    18.582    61.657    18.156    24.297  2.9134  21.024  3.3355  3.273031       4.428685 
1 1 1 -14 24  2  o 25.402  2.1906  89.710    14.342    72.530    20.180    107.242   20.386    22.815  3.4067  27.990  2.7549  -5.174934      4.381195 
1 1 1 -14 24  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 24  4  o 43.203  2.3930  258.582   26.273    263.849   32.957    249.399   43.519    43.987  2.8120  42.420  3.8729  1.566956       4.786090 
1 1 1 -14 24  5  o 29.044  2.1542  116.909   16.357    102.508   23.424    130.615   22.852    27.206  3.2806  30.882  2.7929  -3.675732      4.308434 
1 1 1 -14 24  6  o 33.166  2.0840  151.208   18.282    141.806   25.974    160.439   25.736    32.105  3.0575  34.227  2.8327  -2.122559      4.168078 
1 1 1 -14 24  7  o 73.622  2.2307  741.199   43.984    727.092   62.009    755.483   62.398    72.907  3.1754  74.337  3.1338  -1.430061      4.461399 
1 1 1 -14 24  8  o 11.561  2.7745  17.386    10.251    17.949    14.280    16.788    14.723    11.658  3.8946  11.464  3.9526  0.1944723      5.548959 
1 1 1 -14 24  9  o 63.320  2.1742  549.448   36.873    553.687   52.264    545.247   52.031    63.565  3.0697  63.074  3.0798  0.4910431      4.348326 
1 1 1 -14 24  10 o 44.684  2.0992  274.914   24.964    262.447   35.191    287.544   35.419    43.635  3.0298  45.734  2.9065  -2.098263      4.198496 
1 1 1 -14 24  11 o 26.609  2.3212  99.156    16.192    99.390    23.002    98.926    22.797    26.637  3.2943  26.581  3.2709  0.5503845E-01  4.642316 
1 1 1 -14 24  12 o 69.713  2.2916  673.166   42.757    707.674   60.789    639.378   60.150    71.529  3.1729  67.897  3.3075  3.632416       4.583299 
1 1 1 -14 24  13 f 65.785  2.2620  602.027   39.746    575.076   56.375    628.663   56.045    64.216  3.2886  67.354  3.1066  -3.137711      4.523920 
1 1 1 -14 24  14 o 39.297  2.2284  216.223   23.258    214.770   32.927    217.669   32.856    39.157  3.1666  39.438  3.1363  -0.2811203     4.456875 
1 1 1 -14 24  15 o 23.709  3.6842  81.323    22.637    0.0000    0.0000    81.323    22.637    ?       ?       23.709  3.6842  ?              ?        
1 1 1 -14 24  16 o 13.874  3.2596  28.293    14.181    32.002    17.908    22.056    23.221    14.620  4.2918  13.128  4.9071  1.492237       6.519118 
1 1 1 -14 24  17 o 23.641  2.7685  83.551    16.565    62.076    23.372    105.226   23.481    20.183  4.4437  27.098  3.3035  -6.915157      5.537066 
1 1 1 -14 24  18 o 13.876  2.9481  27.281    12.941    44.260    18.538    11.145    18.073    17.090  4.1020  10.663  4.2355  6.426377       5.896287 
1 1 1 -14 24  19 o 23.138  2.7415  79.433    16.341    70.876    22.808    88.456    23.422    21.722  4.0698  24.554  3.6743  -2.832211      5.483039 
1 1 1 -14 24  20 o 13.648  3.1709  27.614    13.571    21.745    19.079    33.623    19.306    12.511  4.4841  14.784  4.4845  -2.273469      6.341774 
1 1 1 -14 24  21 o 15.830  3.2205  39.307    14.766    49.866    20.878    28.739    20.886    17.864  4.3938  13.797  4.7096  4.066356       6.440946 
1 1 1 -14 24  22 o 31.954  2.5517  151.412   21.441    147.456   30.528    155.263   30.120    31.468  3.6921  32.440  3.5231  -0.9712200     5.103315 
1 1 1 -14 24  23 o 31.952  2.5781  154.117   21.502    137.233   30.530    170.733   30.289    29.951  3.8980  33.952  3.3753  -4.000818      5.156297 
1 1 1 -14 25  1  o 27.771  3.0503  106.332   22.316    106.332   22.316    0.0000    0.0000    27.771  3.0503  ?       ?       ?              ?        
1 1 1 -14 25  2  o 27.580  2.1377  105.310   15.439    115.803   21.683    94.519    21.988    29.045  2.8228  26.115  3.2111  2.930115       4.275428 
1 1 1 -14 25  3  o 65.580  2.1030  586.578   36.915    558.899   51.915    614.887   52.502    63.993  3.0288  67.167  2.9183  -3.173882      4.205956 
1 1 1 -14 25  4  o 14.506  2.6961  29.819    11.092    42.221    15.794    17.749    15.581    17.225  3.5416  11.787  4.0661  5.438271       5.392210 
1 1 1 -14 25  5  o 48.775  2.0576  325.822   26.734    307.776   37.462    344.550   38.162    47.373  2.9673  50.178  2.8512  -2.804321      4.115132 
1 1 1 -14 25  6  o 34.898  2.1044  167.769   19.468    175.927   27.704    159.813   27.361    35.761  2.9178  34.036  3.0331  1.724407       4.208715 
1 1 1 -14 25  7  o 10.402  2.6586  12.622    9.6320    16.147    13.296    8.7287    13.972    11.107  3.7578  9.6968  3.7619  1.409853       5.317233 
1 1 1 -14 25  8  o 55.801  2.1440  429.391   31.866    398.937   44.876    460.366   45.257    53.747  3.1308  57.855  2.9300  -4.108692      4.288010 
1 1 1 -14 25  9  o 32.735  2.2120  149.188   19.143    154.053   26.912    144.206   27.235    33.310  3.0502  32.161  3.2043  1.149429       4.423910 
1 1 1 -14 25  10 o 53.020  2.1703  389.885   30.656    410.415   43.429    369.496   43.279    54.463  2.9885  51.578  3.1478  2.884754       4.340535 
1 1 1 -14 25  11 f 28.412  2.3773  114.002   17.694    104.936   24.788    123.422   25.266    27.193  3.4833  29.630  3.2362  -2.436508      4.754634 
1 1 1 -14 25  12 o 48.023  2.2153  322.554   28.327    312.573   40.085    332.511   40.036    47.244  3.1863  48.803  3.0786  -1.559486      4.430603 
1 1 1 -14 25  13 o 57.447  2.2606  463.884   34.615    442.922   49.010    484.749   48.897    56.080  3.2770  58.814  3.1150  -2.733604      4.521281 
1 1 1 -14 25  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 25  15 o 8.5826  2.4661  -1.4818   10.244    -18.5653  14.566    15.237    14.410    6.3174  3.0244  10.848  3.8960  -4.530291      4.932102 
1 1 1 -14 25  16 f 44.006  2.2834  275.695   26.725    279.469   38.046    272.019   37.547    44.306  3.2282  43.707  3.2302  0.5986214      4.566766 
1 1 1 -14 25  17 o 10.365  2.8504  10.952    11.635    4.4568    16.978    16.705    15.977    9.4387  3.9654  11.291  4.0959  -1.851876      5.700897 
1 1 1 -14 25  18 o 17.699  3.1380  48.607    14.846    48.134    21.285    49.056    20.719    17.585  4.5002  17.812  4.3745  -0.2272625     6.275971 
1 1 1 -14 25  19 o 18.351  3.1851  52.872    15.599    59.171    22.104    46.624    22.018    19.546  4.3356  17.157  4.6673  2.389677       6.370293 
1 1 1 -14 25  20 o 25.417  2.7711  97.789    18.129    110.485   25.724    85.261    25.554    27.298  3.6064  23.535  4.2082  3.763477       5.542117 
1 1 1 -14 25  21 o 27.658  2.6934  115.968   19.420    113.841   27.365    118.125   27.564    27.376  3.8373  27.939  3.7804  -0.5629292     5.386711 
1 1 1 -14 26  1  o 34.366  2.0466  162.762   18.591    176.827   26.174    148.440   26.412    35.924  2.7409  32.809  3.0400  3.114677       4.093204 
1 1 1 -14 26  2  o 48.162  2.0539  319.120   26.245    351.886   37.007    285.965   37.226    50.729  2.7336  45.594  3.0661  5.135822       4.107769 
1 1 1 -14 26  3  f 57.201  2.0991  448.682   32.065    423.721   45.037    474.340   45.663    55.517  3.0403  58.884  2.8952  -3.367027      4.198218 
1 1 1 -14 26  4  o 49.660  2.0705  339.038   27.394    321.526   38.492    357.009   38.994    48.330  2.9882  50.990  2.8668  -2.659931      4.140954 
1 1 1 -14 26  5  o 34.140  2.1343  161.617   19.269    172.277   27.133    150.771   27.369    35.331  2.8925  32.949  3.1391  2.381596       4.268537 
1 1 1 -14 26  6  o 32.023  2.2516  144.284   18.721    170.738   26.379    117.439   26.573    35.167  2.8243  28.879  3.5073  6.288429       4.503111 
1 1 1 -14 26  7  o 22.515  2.5671  72.515    14.920    78.447    21.126    66.613    21.074    23.517  3.4571  21.514  3.7960  2.002810       5.134257 
1 1 1 -14 26  8  o 23.158  2.5522  77.070    15.130    62.881    21.200    91.801    21.600    20.793  3.9510  25.523  3.2320  -4.730433      5.104465 
1 1 1 -14 26  9  o 15.837  2.9533  37.171    12.702    37.176    17.682    37.166    18.258    15.846  4.1257  15.828  4.2269  0.1849079E-01  5.906603 
1 1 1 -14 26  10 o 30.678  2.3298  133.249   18.825    127.204   26.599    139.315   26.645    29.933  3.3766  31.423  3.2109  -1.489483      4.659541 
1 1 1 -14 26  11 o 28.935  2.3856  119.593   18.100    112.882   25.767    126.130   25.431    28.054  3.5056  29.815  3.2366  -1.760077      4.771235 
1 1 1 -14 26  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 26  13 o 11.738  2.9022  18.237    11.568    25.260    16.274    11.063    16.448    13.097  4.1421  10.379  4.0663  2.718513       5.804425 
1 1 1 -14 26  14 o 9.3239  2.6832  3.3589    11.376    15.284    15.781    -9.5425   16.414    11.004  4.0586  7.6438  3.5109  3.360113       5.366395 
1 1 1 -14 26  15 o 27.350  2.6069  109.847   18.448    125.438   26.347    94.851    25.841    29.452  3.4025  25.247  3.9507  4.204357       5.213899 
1 1 1 -14 26  16 o 30.066  2.5982  132.713   20.070    162.329   28.940    105.268   27.859    33.612  3.2553  26.521  4.0503  7.091467       5.196335 
1 1 1 -14 26  17 o 14.022  3.1734  29.723    14.030    18.830    20.220    39.838    19.484    12.072  4.5649  15.972  4.4095  -3.899900      6.346863 
1 1 1 -14 26  18 o 23.502  2.8918  84.618    17.464    74.224    24.730    94.959    24.666    21.819  4.3838  25.185  3.7727  -3.365667      5.783688 
1 1 1 -14 26  19 o 24.180  2.8975  90.482    18.004    78.959    25.361    102.190   25.564    22.365  4.3904  25.995  3.7825  -3.630793      5.795067 
1 1 1 -14 27  1  o 72.853  2.1878  730.565   42.688    715.873   59.975    745.650   60.772    72.103  3.1054  73.603  3.0826  -1.499069      4.375656 
1 1 1 -14 27  2  o 28.116  2.2070  110.495   16.289    115.188   22.574    105.396   23.529    28.800  2.9689  27.433  3.2663  1.366753       4.414008 
1 1 1 -14 27  3  o 14.336  2.8867  29.602    11.644    25.835    15.969    33.878    17.014    13.443  4.0788  15.229  4.0861  -1.786611      5.773438 
1 1 1 -14 27  4  o 37.607  2.1363  196.531   21.283    179.797   29.808    213.934   30.398    35.915  3.1298  39.299  2.9085  -3.384003      4.272610 
1 1 1 -14 27  5  o 56.478  2.1604  443.085   32.555    451.397   46.027    434.763   46.052    57.030  3.0239  55.926  3.0863  1.104111       4.320813 
1 1 1 -14 27  6  o 28.960  2.3933  119.677   17.793    93.659    24.954    146.586   25.377    25.513  3.7647  32.408  2.9560  -6.894894      4.786556 
1 1 1 -14 27  7  o 47.340  2.1780  313.447   27.458    304.952   38.808    321.961   38.854    46.667  3.1228  48.012  3.0370  -1.344887      4.356006 
1 1 1 -14 27  8  o 9.6913  2.7300  7.7867    10.779    3.4583    15.474    11.867    15.024    9.0403  3.7912  10.342  3.9292  -1.301922      5.459967 
1 1 1 -14 27  9  o 14.312  3.0689  30.577    12.786    30.352    17.895    30.812    18.274    14.263  4.3155  14.362  4.3645  -0.9909058E-01 6.137750 
1 1 1 -14 27  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 27  11 o 26.960  2.5826  106.449   18.005    120.637   25.509    92.363    25.417    28.951  3.3516  24.969  3.9303  3.981865       5.165289 
1 1 1 -14 27  12 f 16.397  3.0002  40.788    13.880    25.003    19.194    58.090    20.096    13.135  4.5140  19.660  3.9533  -6.525018      6.000357 
1 1 1 -14 27  13 o 46.421  2.2790  308.134   28.149    298.178   39.722    318.178   39.896    45.620  3.2725  47.222  3.1727  -1.602772      4.557987 
1 1 1 -14 27  14 o 34.821  2.3809  175.264   21.855    159.741   30.683    191.251   31.138    33.135  3.5106  36.507  3.2173  -3.371609      4.761834 
1 1 1 -14 27  15 o 10.829  2.7229  6.0249    12.265    33.269    18.100    -17.1077  16.678    14.658  4.3181  6.9993  3.3182  7.658642       5.445774 
1 1 1 -14 27  16 o 27.470  2.7374  113.248   19.527    123.734   28.071    103.417   27.181    28.825  3.7228  26.116  4.0143  2.708960       5.474863 
1 1 1 -14 27  17 o 10.948  2.9519  12.620    12.892    -0.2889   18.190    25.647    18.273    8.9396  3.9307  12.957  4.4052  -4.017808      5.903876 
1 1 1 -14 27  18 o 25.303  2.8401  99.719    18.545    91.190    26.216    108.261   26.236    24.017  4.2299  26.589  3.7912  -2.572323      5.680244 
1 1 1 -14 28  1  o 38.285  2.1221  204.134   21.570    210.095   30.266    197.981   30.749    38.892  2.9269  37.679  3.0736  1.212830       4.244208 
1 1 1 -14 28  2  o 32.612  2.1797  148.962   18.784    139.865   26.475    158.184   26.656    31.558  3.1752  33.665  2.9872  -2.106693      4.359477 
1 1 1 -14 28  3  o 21.278  2.7076  65.860    14.851    61.142    20.705    70.860    21.314    20.435  3.9255  22.120  3.7301  -1.685822      5.415112 
1 1 1 -14 28  4  o 29.015  2.3483  119.514   17.920    118.724   25.368    120.300   25.318    28.910  3.3373  29.119  3.3046  -0.2090702     4.696595 
1 1 1 -14 28  5  o 21.901  2.6058  69.799    14.724    64.540    20.614    75.276    21.037    20.984  3.8077  22.817  3.5583  -1.832775      5.211586 
1 1 1 -14 28  6  o 28.046  2.3975  112.772   17.553    100.606   24.560    125.478   25.098    26.385  3.5665  29.706  3.2050  -3.320513      4.795017 
1 1 1 -14 28  7  o 25.137  6.1920  105.211   41.417    0.0000    0.0000    105.211   41.417    ?       ?       25.137  6.1920  ?              ?        
1 1 1 -14 28  8  o 30.861  3.4597  137.537   28.106    137.537   28.106    0.0000    0.0000    30.861  3.4597  ?       ?       ?              ?        
1 1 1 -14 28  9  o 16.245  3.0727  40.231    13.846    30.553    19.001    51.190    20.219    14.191  4.4745  18.298  4.2126  -4.107038      6.145433 
1 1 1 -14 28  10 f 19.752  2.9214  59.637    15.185    36.245    20.872    85.941    22.133    15.269  4.6695  24.235  3.5120  -8.965749      5.842794 
1 1 1 -14 28  11 o 8.7540  2.6682  1.2039    11.356    2.2581    15.464    -0.0301   16.730    8.7554  3.7357  8.7526  3.8109  0.2845764E-02  5.336493 
1 1 1 -14 28  12 o 17.669  3.1083  48.743    14.847    38.195    20.846    59.605    21.152    15.594  4.6442  19.743  4.1326  -4.149155      6.216624 
1 1 1 -14 28  13 o 31.232  2.5352  143.491   20.819    146.200   29.432    140.778   29.453    31.562  3.5427  30.903  3.6273  0.6594582      5.070302 
1 1 1 -14 28  14 o 10.627  2.9635  12.501    12.426    12.629    17.323    12.366    17.833    10.609  4.1680  10.644  4.2139  -0.3516197E-01 5.927013 
1 1 1 -14 28  15 o 12.852  2.8544  16.797    14.038    -12.7876  19.264    50.301    20.500    7.9449  3.7026  17.759  4.3453  -9.813911      5.708812 
1 1 1 -14 28  16 o 18.254  3.1190  55.493    16.204    81.494    22.797    28.941    23.036    22.979  3.8393  13.529  4.9166  9.449765       6.238029 
1 1 1 -14 29  1  o 69.028  2.2557  669.068   41.704    672.393   58.831    665.710   59.127    69.217  3.1732  68.839  3.2067  0.3782730      4.511384 
1 1 1 -14 29  2  o 34.893  2.2160  172.191   20.488    169.168   28.762    175.305   29.192    34.577  3.1398  35.209  3.1279  -0.6326408     4.431988 
1 1 1 -14 29  3  o 37.567  2.2038  199.866   21.973    197.715   31.153    201.995   30.996    37.347  3.1435  37.787  3.0895  -0.4397278     4.407527 
1 1 1 -14 29  4  o 24.903  2.6057  90.778    16.848    94.139    23.948    87.485    23.706    25.401  3.6226  24.405  3.7462  0.9958134      5.211315 
1 1 1 -14 29  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 29  6  o 23.635  2.6277  82.536    16.044    75.142    22.457    90.244    22.930    22.441  3.8762  24.829  3.5489  -2.387606      5.255424 
1 1 1 -14 29  7  f 26.447  2.5526  103.024   17.499    113.505   24.647    92.371    24.848    27.978  3.3559  24.915  3.8473  3.063290       5.105290 
1 1 1 -14 29  8  o 20.445  2.9555  64.202    15.645    53.278    22.007    75.362    22.244    18.447  4.4952  22.443  3.8384  -3.995754      5.911077 
1 1 1 -14 29  9  o 34.360  2.4645  172.398   22.302    183.468   31.343    161.045   31.739    35.611  3.3244  33.109  3.6390  2.501862       4.928920 
1 1 1 -14 29  10 o 6.4750  2.1694  -18.2005  9.8408    -27.1011  12.720    -4.9302   15.531    5.1106  2.5268  7.8394  3.5271  -2.728789      4.338812 
1 1 1 -14 29  11 o 25.119  2.7799  95.354    18.040    87.094    25.346    103.833   25.681    23.868  4.1131  26.369  3.7409  -2.501139      5.559848 
1 1 1 -14 29  12 o 21.552  3.0505  74.342    17.057    46.194    23.966    103.239   24.283    16.737  4.9785  26.367  3.5268  -9.629457      6.101094 
1 1 1 -14 29  13 o 9.5121  2.8403  4.1848    12.558    -2.3233   16.980    12.041    18.657    8.4062  3.7418  10.618  4.2742  -2.211816      5.680666 
1 1 1 -14 29  14 o 20.069  3.2566  66.418    17.146    62.533    24.136    70.376    24.363    19.379  4.6985  20.759  4.5106  -1.380478      6.513175 
1 1 1 -14 30  1  o 40.316  2.2283  231.901   23.830    216.774   33.537    247.327   33.867    38.905  3.2480  41.727  3.0514  -2.821545      4.456502 
1 1 1 -14 30  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -14 30  3  o 12.607  3.2640  21.362    13.919    19.612    17.300    24.575    23.439    11.922  4.2703  13.291  4.9375  -1.368679      6.527931 
1 1 1 -14 30  4  o 12.632  3.0400  23.209    12.559    28.848    17.207    16.780    18.373    13.748  4.2457  11.516  4.3522  2.232106       6.080081 
1 1 1 -14 30  5  o 10.219  2.7788  9.6030    11.688    21.006    15.792    -4.2060   17.379    12.044  4.0952  8.3931  3.7570  3.651326       5.557532 
1 1 1 -14 30  6  o 34.726  2.3755  175.268   21.814    177.440   30.676    173.047   31.026    34.982  3.3135  34.471  3.4048  0.5109634      4.750991 
1 1 1 -14 30  7  o 9.3735  2.7017  -1.3689   11.967    -18.2980  15.982    20.238    18.056    6.6987  3.1963  12.048  4.3567  -5.349663      5.403419 
1 1 1 -14 30  8  o 27.533  2.6819  114.095   19.056    126.706   26.559    100.714   27.357    29.378  3.4403  25.688  4.1150  3.690081       5.363702 
1 1 1 -14 30  9  o 27.789  2.7717  117.631   19.844    130.155   27.560    104.147   28.597    29.638  3.5418  25.939  4.2642  3.699293       5.543304 
1 1 1 -14 30  10 o 20.110  3.2297  64.734    17.115    50.955    23.388    80.622    25.114    17.568  4.8232  22.651  4.2966  -5.082815      6.459436 
1 1 1 -14 30  11 o 21.329  3.1769  73.638    17.606    61.911    24.652    85.844    25.151    19.291  4.7924  23.366  4.1718  -4.074831      6.353811 
1 1 1 -14 30  12 o 8.9070  2.7514  0.7384    12.594    -5.4541   17.723    7.0537    17.898    8.1552  3.7085  9.6589  4.0653  -1.503690      5.502715 
1 1 1 -14 31  1  o 17.852  3.0657  49.914    14.503    48.388    20.062    51.584    20.991    17.582  4.2965  18.122  4.3743  -0.5394096     6.131422 
1 1 1 -14 31  2  f 23.967  2.8037  87.183    17.340    92.443    24.424    81.838    24.622    24.824  3.7938  23.110  4.1292  1.713747       5.607449 
1 1 1 -14 31  3  o 20.184  2.8722  64.875    15.827    24.202    21.972    108.732   22.816    12.998  4.7898  27.370  3.1710  -14.37178      5.744339 
1 1 1 -14 31  4  o 13.835  3.1512  29.721    13.414    34.192    18.453    24.710    19.533    14.751  4.3640  12.919  4.5470  1.832547       6.302380 
1 1 1 -14 31  5  o 9.2507  2.6383  2.0092    11.623    18.373    15.681    -17.9421  17.314    11.432  4.0686  7.0692  3.3600  4.362976       5.276657 
1 1 1 -14 31  6  o 23.381  2.9931  85.051    17.925    67.483    24.822    104.196   25.912    20.487  4.6321  26.274  3.7918  -5.786680      5.986161 
1 1 1 -14 31  7  o 14.038  3.2435  31.407    14.112    34.670    19.477    27.800    20.477    14.686  4.5140  13.389  4.6589  1.297734       6.487017 
1 1 1 -14 31  8  o 17.946  3.2012  53.607    16.134    72.465    22.534    33.769    23.111    21.522  4.0577  14.371  4.9524  7.151456       6.402421 
1 1 1 -14 31  9  o 15.843  3.2201  42.183    15.158    55.840    20.932    27.127    21.979    18.557  4.2962  13.130  4.7977  5.426574       6.440157 
1 1 1 -14 32  1  o 18.997  3.1363  58.110    15.718    65.019    21.439    50.081    23.112    20.503  4.0477  17.490  4.7918  3.012499       6.272564 
1 1 1 -14 32  2  o 19.105  3.0759  56.450    15.712    36.585    20.863    82.475    23.881    15.045  4.6798  23.166  3.9928  -8.120343      6.151717 
1 1 1 -14 32  3  o 14.453  2.9072  30.781    14.262    57.317    19.886    2.6769    20.466    19.194  3.9980  9.7124  4.2218  9.481385       5.814427 
1 1 1 -14 32  4  f 8.3485  2.5748  -2.1911   11.392    8.0991    15.803    -13.3225  16.436    9.5335  3.8982  7.1635  3.3647  2.370040       5.149540 
1 1 1 -14 32  5  o 15.832  3.4013  42.078    15.692    42.120    21.712    42.033    22.704    15.874  4.7424  15.790  4.8770  0.8352661E-01  6.802630 
1 1 1 -14 32  6  o 21.546  3.1528  76.051    17.952    44.122    24.445    113.437   26.451    15.932  5.0806  27.160  3.7348  -11.22758      6.305641 
1 1 1 -14 32  7  o 34.943  2.6261  188.547   24.178    179.092   33.866    198.374   34.528    33.953  3.7885  35.933  3.6376  -1.979965      5.252120 
1 1 1 -14 33  1  o 13.066  3.0572  24.795    13.052    12.731    17.337    40.578    19.830    10.448  4.1490  15.684  4.4912  -5.235970      6.114352 
1 1 1 -14 33  2  o 14.736  3.3250  35.828    14.884    29.089    20.131    43.953    22.104    13.398  4.6218  16.074  4.7813  -2.676012      6.649936 
1 1 1 -14 33  3  o 12.072  3.2422  21.317    14.321    18.669    18.835    24.945    22.050    11.471  4.3893  12.672  4.7728  -1.201969      6.484306 
1 1 1 -14 33  4  f 9.4090  2.8959  3.7499    13.740    7.6125    18.454    -1.0550   20.583    9.7212  4.1117  9.0968  4.0792  0.6243877      5.791883 
1 1 1 -14 34  1  o 14.859  3.1831  38.949    14.735    51.954    19.953    23.352    21.852    17.544  4.2834  12.174  4.7097  5.370443       6.366216 
1 1 1 -13 -31 9  o 14.637  5.0777  32.487    24.315    32.487    24.315    0.0000    0.0000    14.637  5.0777  ?       ?       ?              ?        
1 1 1 -13 -31 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -31 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -31 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -31 13 o 28.382  3.8928  118.674   28.814    0.0000    0.0000    118.674   28.814    ?       ?       28.382  3.8928  ?              ?        
1 1 1 -13 -31 14 o 15.716  4.4518  37.924    19.592    0.0000    0.0000    37.924    19.592    ?       ?       15.716  4.4518  ?              ?        
1 1 1 -13 -31 15 o 13.381  3.4861  24.440    16.581    17.534    26.227    29.039    21.401    12.730  5.0876  14.033  4.7673  -1.303185      6.972206 
1 1 1 -13 -31 16 o 40.642  2.5678  238.643   27.636    246.935   40.089    231.135   38.150    41.293  3.6626  39.992  3.6000  1.300270       5.135656 
1 1 1 -13 -31 17 o 21.501  3.2950  69.326    18.663    102.496   28.603    44.735    24.628    26.146  4.2286  16.855  5.0543  9.290930       6.589945 
1 1 1 -13 -31 18 o 26.522  3.3601  111.332   22.491    80.548    32.742    138.834   30.947    22.286  5.5149  30.757  3.8403  -8.470095      6.720284 
1 1 1 -13 -31 19 o 16.328  3.6129  36.974    18.430    65.875    29.237    17.917    23.741    20.208  5.3262  12.448  4.8829  7.760523       7.225762 
1 1 1 -13 -31 20 o 23.603  4.7954  86.763    29.282    0.0000    0.0000    86.763    29.282    ?       ?       23.603  4.7954  ?              ?        
1 1 1 -13 -31 21 o 25.584  5.1278  103.773   33.914    0.0000    0.0000    103.773   33.914    ?       ?       25.584  5.1278  ?              ?        
1 1 1 -13 -31 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -31 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -31 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -31 25 o 26.978  3.5354  116.312   24.579    111.772   33.795    121.409   35.812    26.449  4.9524  27.506  5.0467  -1.057703      7.070765 
1 1 1 -13 -31 26 o 7.8188  2.6789  -32.8915  17.019    -25.6906  25.884    -38.3755  22.589    8.5271  4.0684  7.1104  3.4863  1.416640       5.357775 
1 1 1 -13 -30 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -30 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -30 6  o 14.697  3.3779  30.931    15.274    42.725    23.726    22.584    19.960    16.566  4.9594  12.828  4.5876  3.738933       6.755840 
1 1 1 -13 -30 7  o 29.683  2.6637  128.470   20.527    124.988   30.664    131.298   27.631    29.145  4.0365  30.222  3.4766  -1.077738      5.327332 
1 1 1 -13 -30 8  o 14.029  3.2926  25.801    14.567    42.258    23.470    15.491    18.577    16.558  4.9271  11.500  4.3691  5.057543       6.585264 
1 1 1 -13 -30 9  o 20.870  3.0529  63.579    16.626    95.707    25.456    39.680    21.955    25.617  3.8274  16.124  4.7574  9.492945       6.105895 
1 1 1 -13 -30 10 o 9.9227  2.9276  0.6274    12.656    16.871    21.855    -7.5682   15.524    12.198  4.7125  7.6474  3.4750  4.550537       5.855205 
1 1 1 -13 -30 11 o 39.625  2.3749  222.652   24.963    225.884   35.796    219.591   34.829    39.892  3.3820  39.359  3.3351  0.5324440      4.749783 
1 1 1 -13 -30 12 o 29.833  2.6813  128.787   20.900    127.472   30.349    129.973   28.824    29.610  3.9232  30.055  3.6559  -0.4444695     5.362614 
1 1 1 -13 -30 13 o 16.706  3.1931  37.719    15.474    67.943    24.755    18.337    19.824    21.229  4.4935  12.183  4.5378  9.046194       6.386157 
1 1 1 -13 -30 14 f 36.249  2.4929  187.573   23.876    184.043   34.248    190.910   33.303    35.858  3.6152  36.639  3.4335  -0.7813911     4.985835 
1 1 1 -13 -30 15 o 13.766  3.2539  20.470    15.712    48.383    24.251    0.2746    20.627    17.730  4.9286  9.8024  4.2496  7.927631       6.507718 
1 1 1 -13 -30 16 o 24.000  3.1451  86.874    19.374    76.180    28.051    96.628    26.791    22.328  4.8308  25.673  4.0287  -3.345060      6.290268 
1 1 1 -13 -30 17 o 15.709  3.5730  37.018    16.938    38.004    26.048    36.295    22.296    15.896  5.2578  15.521  4.8395  0.3748770      7.146001 
1 1 1 -13 -30 18 o 48.604  2.4137  335.340   31.163    311.957   43.872    359.152   44.273    46.795  3.5261  50.413  3.2969  -3.617382      4.827350 
1 1 1 -13 -30 19 o 42.206  2.5446  255.715   28.264    222.505   39.905    289.148   40.039    39.240  3.8461  45.171  3.3329  -5.930195      5.089251 
1 1 1 -13 -30 20 o 15.053  3.5315  31.988    17.037    46.449    25.443    20.234    22.938    17.288  5.1267  12.818  4.8585  4.470174       7.063097 
1 1 1 -13 -30 21 o 14.364  3.5950  28.568    18.235    12.654    27.509    41.042    24.354    12.401  5.1154  16.326  5.0526  -3.924725      7.189950 
1 1 1 -13 -30 22 f 33.302  2.7813  162.229   24.266    152.955   34.613    171.192   34.029    32.238  4.1013  34.366  3.7580  -2.128033      5.562657 
1 1 1 -13 -30 23 o 9.3646  3.0157  -9.9003   16.418    -6.5168   25.311    -12.3577  21.571    10.022  4.5066  8.7071  4.0087  1.314971       6.031466 
1 1 1 -13 -30 24 f 27.650  3.0997  114.977   22.183    119.365   31.695    110.765   31.057    28.209  4.3335  27.092  4.4333  1.117609       6.199433 
1 1 1 -13 -30 25 o 21.170  3.5504  70.718    20.545    100.045   29.860    44.350    28.313    25.620  4.5162  16.719  5.4794  8.900965       7.100701 
1 1 1 -13 -30 26 o 10.880  3.3253  3.5261    17.766    0.3803    26.152    6.2224    24.211    10.743  4.7185  11.018  4.6870  -0.2749996     6.650699 
1 1 1 -13 -30 27 o 11.265  4.7263  8.9248    24.067    0.0000    0.0000    8.9248    24.067    ?       ?       11.265  4.7263  ?              ?        
1 1 1 -13 -30 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -30 29 o 41.353  3.9703  256.381   43.435    256.381   43.435    0.0000    0.0000    41.353  3.9703  ?       ?       ?              ?        
1 1 1 -13 -30 30 o 62.823  2.5449  583.784   42.530    546.525   60.604    619.938   59.698    60.585  3.7531  65.060  3.4379  -4.474556      5.089722 
1 1 1 -13 -29 1  o 12.719  4.4461  22.701    18.659    0.0000    0.0000    22.701    18.659    ?       ?       12.719  4.4461  ?              ?        
1 1 1 -13 -29 2  o 18.595  3.0263  52.513    14.707    50.847    21.994    53.860    19.781    18.211  4.5281  18.979  4.0164  -0.7678776     6.052691 
1 1 1 -13 -29 3  o 9.2349  2.8108  1.2263    12.426    -0.2991   19.488    2.2714    16.130    9.4610  4.1161  9.0087  3.8289  0.4522896      5.621642 
1 1 1 -13 -29 4  o 28.999  2.5161  120.753   19.057    120.119   28.109    121.293   25.926    28.836  3.7265  29.162  3.3819  -0.3255863     5.032278 
1 1 1 -13 -29 5  o 11.413  3.0252  15.106    12.928    4.0668    20.980    21.864    16.415    10.336  4.3785  12.491  4.1756  -2.155488      6.050335 
1 1 1 -13 -29 6  o 15.340  3.1968  35.772    14.804    20.422    22.648    47.223    19.562    12.891  4.8407  17.790  4.1769  -4.898786      6.393628 
1 1 1 -13 -29 7  o 11.070  3.0004  8.6816    12.882    25.637    20.651    -2.1200   16.483    13.574  4.6811  8.5652  3.7544  5.008836       6.000745 
1 1 1 -13 -29 8  o 26.487  2.6878  100.767   18.476    108.738   27.294    94.025    25.102    27.458  3.8142  25.516  3.7879  1.942289       5.375512 
1 1 1 -13 -29 9  o 28.864  2.6109  119.855   19.569    114.608   28.988    124.249   26.525    28.138  3.9554  29.590  3.4091  -1.452082      5.221816 
1 1 1 -13 -29 10 o 10.284  2.8589  9.7002    11.804    -1.8817   20.197    15.708    14.546    9.5078  4.1621  11.061  3.9205  -1.552996      5.717830 
1 1 1 -13 -29 11 o 24.059  2.8007  84.539    17.327    80.247    25.453    88.246    23.655    23.350  4.2253  24.769  3.6773  -1.419060      5.601400 
1 1 1 -13 -29 12 o 8.8855  2.7516  -1.5180   12.179    -4.4104   20.080    0.1652    15.318    9.2054  4.0847  8.5655  3.6878  0.6398106      5.503139 
1 1 1 -13 -29 13 o 42.380  2.2931  252.184   25.800    267.880   36.791    236.997   36.191    43.732  3.1622  41.028  3.3217  2.703453       4.586229 
1 1 1 -13 -29 14 o 19.357  3.2440  55.690    16.687    70.816    24.770    43.120    22.581    21.822  4.3898  16.891  4.7774  4.930834       6.487962 
1 1 1 -13 -29 15 o 17.716  3.2619  45.305    16.116    67.583    24.611    28.582    21.323    21.268  4.4625  14.163  4.7589  7.104980       6.523881 
1 1 1 -13 -29 16 o 13.144  3.1721  23.669    14.293    8.1117    22.814    33.722    18.339    11.220  4.6458  15.068  4.3203  -3.847926      6.344162 
1 1 1 -13 -29 17 f 47.154  2.3206  312.670   29.127    314.622   41.230    310.725   41.153    47.307  3.2740  47.002  3.2896  0.3058472      4.641175 
1 1 1 -13 -29 18 o 8.9320  2.8053  -6.4152   13.879    -18.5027  20.731    3.4031    18.684    8.0732  3.7878  9.7908  4.1390  -1.717607      5.610584 
1 1 1 -13 -29 19 o 18.919  3.1177  52.127    16.121    81.050    24.320    29.458    21.531    23.533  4.0015  14.304  4.7821  9.229544       6.235461 
1 1 1 -13 -29 20 o 19.622  3.4779  58.480    18.305    69.748    27.061    48.976    24.853    21.386  4.8373  17.857  4.9985  3.529097       6.955898 
1 1 1 -13 -29 21 o 16.219  3.3392  38.850    17.493    10.918    25.733    62.851    23.853    12.012  4.9503  20.426  4.4829  -8.413431      6.678492 
1 1 1 -13 -29 22 o 15.930  3.5662  38.383    17.076    36.000    25.066    40.447    23.325    15.554  5.1584  16.305  4.9255  -0.7515945     7.132322 
1 1 1 -13 -29 23 o 29.430  2.8494  126.382   21.858    131.764   31.498    121.382   30.358    30.051  4.0134  28.808  4.0458  1.242960       5.698761 
1 1 1 -13 -29 24 o 21.106  3.5614  69.102    20.011    82.748    28.699    56.189    27.918    23.299  4.7595  18.912  5.2991  4.387075       7.122729 
1 1 1 -13 -29 25 o 26.712  3.1896  108.395   21.732    90.121    31.380    125.236   30.125    24.149  5.0152  29.275  3.9421  -5.125505      6.379106 
1 1 1 -13 -29 26 o 46.082  2.4534  303.131   30.048    313.871   43.131    293.002   41.884    46.887  3.4588  45.277  3.4803  1.609856       4.906713 
1 1 1 -13 -29 27 o 11.579  3.1473  3.8385    16.864    -31.1533  24.718    34.307    23.065    8.0986  3.8935  15.059  4.9460  -6.960317      6.294663 
1 1 1 -13 -29 28 o 21.043  3.6365  72.505    20.948    49.106    30.975    92.227    28.437    17.466  5.7315  24.620  4.4772  -7.154188      7.272924 
1 1 1 -13 -29 29 o 41.429  2.5660  250.776   27.892    217.770   39.854    282.463   39.050    38.455  3.9243  44.403  3.3071  -5.947830      5.131975 
1 1 1 -13 -29 30 o 10.928  3.2719  3.8500    17.637    -17.0189  27.557    18.329    22.954    9.5251  4.4355  12.332  4.8113  -2.806373      6.543852 
1 1 1 -13 -29 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -29 32 o 12.694  5.7708  -1.6110   42.878    -1.6110   42.878    0.0000    0.0000    12.694  5.7708  ?       ?       ?              ?        
1 1 1 -13 -29 33 o 28.728  3.2806  132.710   23.549    176.495   33.785    91.337    32.841    34.267  3.7418  23.190  5.3898  11.07697       6.561278 
1 1 1 -13 -28 1  o 9.4608  2.4603  5.8885    10.260    -21.9072  17.414    20.667    12.698    6.9291  3.3145  11.992  3.6367  -5.063270      4.920568 
1 1 1 -13 -28 2  o 13.897  3.1237  27.621    14.023    12.479    21.073    39.654    18.786    11.502  4.5721  16.292  4.2575  -4.790450      6.247453 
1 1 1 -13 -28 3  o 8.4178  2.5701  -0.1064   10.530    -7.8970   17.682    4.1754    13.108    8.2401  3.7301  8.5956  3.5366  -0.3554878     5.140204 
1 1 1 -13 -28 4  f 11.646  2.7405  16.869    11.583    -3.1547   18.257    30.355    14.984    8.9099  3.9271  14.383  3.8236  -5.473031      5.481035 
1 1 1 -13 -28 5  o 8.9453  2.5994  4.3165    9.5177    7.5512    16.447    2.6878    11.670    9.9316  4.0077  7.9591  3.3114  1.972475       5.198786 
1 1 1 -13 -28 6  o 46.138  2.1782  296.925   26.743    293.836   38.440    299.822   37.230    45.864  3.1482  46.412  3.0111  -0.5478592     4.356358 
1 1 1 -13 -28 7  o 37.858  2.2429  200.999   22.486    191.378   32.238    210.115   31.378    36.904  3.2961  38.812  3.0428  -1.907928      4.485795 
1 1 1 -13 -28 8  o 18.227  2.9267  52.587    14.647    24.947    22.237    73.766    19.466    13.654  4.8466  22.799  3.2822  -9.144745      5.853412 
1 1 1 -13 -28 9  o 16.621  3.2178  40.283    14.901    52.360    22.335    30.595    20.004    18.718  4.5086  14.524  4.5922  4.193764       6.435510 
1 1 1 -13 -28 10 o 13.184  3.1230  21.318    13.335    36.617    20.949    10.897    17.290    15.717  4.6500  10.650  4.1701  5.067130       6.245938 
1 1 1 -13 -28 11 o 11.722  3.0236  15.534    13.286    0.5669    20.578    26.234    17.399    9.9040  4.2691  13.540  4.2830  -3.635952      6.047242 
1 1 1 -13 -28 12 o 44.389  2.2326  274.777   26.361    280.616   37.936    269.326   36.657    44.834  3.1797  43.944  3.1349  0.8900681      4.465191 
1 1 1 -13 -28 13 o 21.311  3.0514  66.921    16.792    68.038    24.569    65.943    23.002    21.435  4.4259  21.187  4.2017  0.2482662      6.102725 
1 1 1 -13 -28 14 o 30.943  2.4608  135.272   20.007    145.614   28.850    125.692   27.769    32.128  3.4045  29.759  3.5541  2.368626       4.921605 
1 1 1 -13 -28 15 o 25.893  2.7331  96.612    18.348    91.766    26.058    101.377   25.840    25.176  3.9978  26.609  3.7279  -1.433144      5.466208 
1 1 1 -13 -28 16 o 16.746  3.0704  42.094    15.027    19.797    21.748    62.464    20.787    12.768  4.7535  20.723  3.8877  -7.955326      6.140866 
1 1 1 -13 -28 17 o 11.341  3.0309  13.067    13.472    -1.8079   21.126    23.261    17.490    9.7500  4.2627  12.932  4.3099  -3.181626      6.061828 
1 1 1 -13 -28 18 o 11.971  3.1997  14.955    14.244    24.514    21.393    7.3437    19.090    13.495  4.7576  10.448  4.2798  3.046342       6.399360 
1 1 1 -13 -28 19 f 12.650  3.1378  15.917    15.400    -9.1946   22.456    38.214    21.160    9.3003  4.2075  16.000  4.6563  -6.699252      6.275649 
1 1 1 -13 -28 20 o 24.102  3.1158  85.749    19.350    94.249    27.928    77.901    26.835    25.342  4.2660  22.861  4.5424  2.480547       6.231541 
1 1 1 -13 -28 21 o 56.080  2.2795  440.652   34.079    451.314   47.922    429.745   48.471    56.815  3.1616  55.345  3.2845  1.469948       4.558904 
1 1 1 -13 -28 22 o 21.517  3.2450  70.423    18.372    45.905    25.726    95.940    26.245    17.334  5.1586  25.699  3.9382  -8.365919      6.490016 
1 1 1 -13 -28 23 o 17.956  3.2465  47.940    17.792    15.105    25.125    80.964    25.197    12.468  4.9808  23.444  4.1654  -10.97564      6.492969 
1 1 1 -13 -28 24 o 11.340  3.2920  8.9431    16.235    1.7713    23.660    15.325    22.319    10.606  4.5746  12.075  4.7351  -1.469480      6.583982 
1 1 1 -13 -28 25 o 34.985  2.8925  185.364   24.324    111.788   34.599    257.267   34.204    27.109  4.9474  42.861  2.9983  -15.75185      5.785008 
1 1 1 -13 -28 26 o 37.065  2.5667  198.371   24.702    160.887   34.877    236.099   34.990    33.243  3.9971  40.887  3.2211  -7.644001      5.133422 
1 1 1 -13 -28 27 o 30.658  2.8771  137.948   22.727    163.145   32.626    114.196   31.677    33.651  3.6797  27.665  4.4239  5.985666       5.754226 
1 1 1 -13 -28 28 o 36.622  2.6682  194.946   25.611    179.215   37.157    209.184   35.349    35.003  4.0372  38.240  3.4897  -3.236824      5.336347 
1 1 1 -13 -28 29 o 35.407  2.6210  181.374   24.218    212.668   34.923    152.383   33.614    38.568  3.4160  32.246  3.9761  6.322395       5.241965 
1 1 1 -13 -28 30 o 22.609  3.3753  80.669    19.811    62.895    28.956    96.312    27.165    19.804  5.3378  25.414  4.1328  -5.609680      6.750685 
1 1 1 -13 -28 31 o 17.608  3.7271  49.896    19.307    39.235    27.953    59.621    26.699    15.886  5.4481  19.330  5.0874  -3.444142      7.454109 
1 1 1 -13 -28 32 o 23.262  3.4801  85.928    21.272    118.210   30.880    56.777    29.344    27.958  4.2582  18.565  5.5057  9.392656       6.960253 
1 1 1 -13 -28 33 o 7.9760  3.8024  -23.6878  22.516    0.0000    0.0000    -23.6878  22.516    ?       ?       7.9760  3.8024  ?              ?        
1 1 1 -13 -28 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -28 35 o 9.7917  3.1193  -3.8145   17.251    -2.4044   24.283    -5.2514   24.513    9.8990  4.4354  9.6844  4.3872  0.2145443      6.238625 
1 1 1 -13 -27 1  o 45.609  2.1770  289.877   26.341    322.492   37.850    259.244   36.682    48.180  2.9471  43.038  3.2050  5.142544       4.354033 
1 1 1 -13 -27 2  o 24.720  2.5330  87.541    16.204    84.925    23.838    89.787    22.093    24.281  3.7891  25.160  3.3625  -0.8788948     5.065984 
1 1 1 -13 -27 3  o 28.373  2.4357  114.071   18.069    113.347   26.561    114.694   24.653    28.221  3.5955  28.526  3.2868  -0.3046780     4.871433 
1 1 1 -13 -27 4  o 29.135  2.4411  121.719   18.325    103.536   26.807    137.668   25.107    26.862  3.8347  31.408  3.0217  -4.546007      4.882158 
1 1 1 -13 -27 5  f 23.519  2.7188  79.694    16.456    79.638    24.476    79.740    22.231    23.426  4.0472  23.612  3.6313  -0.1863995     5.437524 
1 1 1 -13 -27 6  o 30.678  2.3248  131.332   18.743    144.779   27.780    120.097   25.392    32.130  3.2738  29.225  3.3017  2.904947       4.649623 
1 1 1 -13 -27 7  f 42.035  2.1532  245.258   24.065    248.158   34.673    242.562   33.428    42.256  3.0848  41.814  3.0048  0.4426842      4.306323 
1 1 1 -13 -27 8  o 46.781  2.1510  303.513   26.784    299.471   38.461    307.319   37.322    46.441  3.1099  47.120  2.9724  -0.6790237     4.301901 
1 1 1 -13 -27 9  o 17.221  2.9717  45.235    13.836    30.974    21.246    55.736    18.231    14.728  4.7407  19.715  3.5846  -4.987178      5.943372 
1 1 1 -13 -27 10 o 32.080  2.4024  144.332   19.817    184.296   28.966    109.166   27.172    36.456  2.9928  27.704  3.7588  8.752529       4.804747 
1 1 1 -13 -27 11 o 25.387  2.6224  92.064    17.224    86.277    24.962    97.322    23.796    24.519  3.9340  26.255  3.4688  -1.736170      5.244892 
1 1 1 -13 -27 12 o 32.634  2.3336  149.283   20.036    136.905   28.519    161.345   28.154    31.211  3.4702  34.057  3.1211  -2.845385      4.667263 
1 1 1 -13 -27 13 o 31.518  2.3344  138.911   19.411    140.695   27.781    137.209   27.133    31.710  3.3200  31.326  3.2825  0.3841667      4.668776 
1 1 1 -13 -27 14 o 50.714  2.1627  355.807   29.232    365.163   41.369    346.477   41.313    51.403  3.0179  50.024  3.0986  1.378460       4.325362 
1 1 1 -13 -27 15 o 15.648  3.1620  35.327    13.951    42.273    20.743    29.589    18.853    16.928  4.4980  14.367  4.4453  2.561161       6.323983 
1 1 1 -13 -27 16 o 33.666  2.3411  159.471   20.515    188.885   29.129    130.525   28.896    36.929  2.9700  30.403  3.6196  6.526651       4.682153 
1 1 1 -13 -27 17 o 12.424  3.1470  18.852    13.282    24.679    20.078    14.318    17.711    13.497  4.6175  11.352  4.2771  2.145006       6.294041 
1 1 1 -13 -27 18 o 40.847  2.2902  233.453   24.577    195.599   34.534    272.299   34.984    37.329  3.4946  44.364  2.9611  -7.035183      4.580374 
1 1 1 -13 -27 19 o 23.995  2.9022  84.014    17.847    72.078    25.597    95.304    24.896    22.127  4.4728  25.862  3.6993  -3.735149      5.804412 
1 1 1 -13 -27 20 o 35.262  2.4666  176.325   22.641    206.628   31.960    145.794   32.079    38.519  3.1246  32.004  3.8175  6.514462       4.933227 
1 1 1 -13 -27 21 o 33.304  2.5613  157.177   22.419    169.392   31.826    145.146   31.585    34.673  3.4736  31.935  3.7649  2.738392       5.122528 
1 1 1 -13 -27 22 o 48.181  2.2643  323.898   29.052    320.746   40.721    327.166   41.460    47.950  3.1888  48.413  3.2155  -0.4631386     4.528595 
1 1 1 -13 -27 23 o 29.766  2.8447  130.466   21.105    170.183   29.875    90.892    29.820    34.819  3.2405  24.712  4.6764  10.10668       5.689419 
1 1 1 -13 -27 24 o 25.209  3.0227  93.550    19.293    124.018   28.096    66.363    26.540    29.476  3.6357  20.942  4.8300  8.533636       6.045436 
1 1 1 -13 -27 25 o 22.855  3.1768  78.547    18.707    97.640    26.586    59.823    26.327    25.934  3.9523  19.777  4.9746  6.157171       6.353514 
1 1 1 -13 -27 26 o 39.913  2.3742  225.107   25.145    222.509   35.503    227.721   35.618    39.671  3.3732  40.155  3.3419  -0.4840813     4.748341 
1 1 1 -13 -27 27 o 53.947  2.2761  409.219   32.735    401.267   46.247    417.203   46.340    53.396  3.2491  54.498  3.1885  -1.101448      4.552256 
1 1 1 -13 -27 28 o 24.165  3.0985  86.938    19.253    101.310   27.972    74.000    26.539    26.240  4.1152  22.090  4.6333  4.150366       6.196950 
1 1 1 -13 -27 29 o 12.812  3.4200  16.205    16.833    34.851    25.381    1.5637    22.491    15.316  5.1918  10.308  4.4531  5.008071       6.839954 
1 1 1 -13 -27 30 o 18.780  3.5396  55.645    18.529    41.901    26.859    68.124    25.594    16.469  5.3333  21.092  4.6551  -4.623276      7.079144 
1 1 1 -13 -27 31 o 11.840  3.3732  13.153    16.380    16.235    24.482    10.655    22.039    12.391  4.9273  11.288  4.6083  1.103007       6.746455 
1 1 1 -13 -27 32 o 16.518  3.6468  41.371    18.411    57.363    27.142    27.743    25.057    18.981  5.1898  14.054  5.1246  4.926773       7.293516 
1 1 1 -13 -27 33 o 26.118  3.1332  104.271   20.998    90.865    29.963    117.208   29.434    24.167  4.7980  28.069  4.0307  -3.901690      6.266360 
1 1 1 -13 -27 34 o 19.982  3.6866  65.542    20.294    51.415    29.329    78.519    28.110    17.672  5.5571  22.293  4.8460  -4.620949      7.373278 
1 1 1 -13 -27 35 o 11.287  3.3446  7.7884    17.639    -5.5073   25.774    19.501    24.191    10.027  4.5246  12.548  4.9268  -2.520494      6.689176 
1 1 1 -13 -27 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -27 37 o 16.185  3.8443  45.194    19.766    40.790    28.360    49.353    27.563    15.502  5.4765  16.868  5.3965  -1.365924      7.688581 
1 1 1 -13 -26 1  o 11.752  2.4915  14.603    11.564    -19.4548  18.181    37.742    14.986    7.3671  3.4843  16.137  3.5624  -8.769736      4.983082 
1 1 1 -13 -26 2  o 13.061  2.9968  22.329    12.147    32.919    18.754    14.675    15.943    15.006  4.3882  11.117  4.0826  3.889092       5.993671 
1 1 1 -13 -26 3  o 6.3250  2.0924  -10.2599  8.3033    -12.0065  14.399    -9.3898   10.163    6.9155  3.2156  5.7346  2.6782  1.180851       4.184785 
1 1 1 -13 -26 4  o 16.292  2.9851  36.967    13.315    53.778    20.770    25.237    17.350    19.186  4.1614  13.399  4.2810  5.786807       5.970280 
1 1 1 -13 -26 5  o 34.235  2.1756  162.798   19.679    160.828   28.810    164.521   26.944    33.990  3.2023  34.480  2.9458  -0.4902573     4.351109 
1 1 1 -13 -26 6  o 42.084  2.1167  244.507   23.692    245.577   34.070    243.505   32.968    42.154  3.0378  42.013  2.9484  0.1414375      4.233350 
1 1 1 -13 -26 7  o 56.278  2.1177  436.358   31.782    421.097   45.204    451.277   44.694    55.265  3.0658  57.291  2.9222  -2.025848      4.235389 
1 1 1 -13 -26 8  o 22.543  3.9952  72.870    23.240    72.870    23.240    0.0000    0.0000    22.543  3.9952  ?       ?       ?              ?        
1 1 1 -13 -26 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 20 o 56.263  3.0908  436.633   46.400    436.633   46.400    0.0000    0.0000    56.263  3.0908  ?       ?       ?              ?        
1 1 1 -13 -26 21 o 88.415  2.4242  1083.27   57.398    1092.19   80.593    1074.09   81.765    88.819  3.3877  88.010  3.4685  0.8086090      4.848413 
1 1 1 -13 -26 22 o 66.361  2.2148  607.367   39.362    597.187   55.113    617.966   56.237    65.797  3.1272  66.925  3.1372  -1.128654      4.429610 
1 1 1 -13 -26 23 o 10.649  2.9805  1.9059    14.127    23.892    20.745    -17.1074  19.291    13.422  4.6882  7.8750  3.6817  5.547229       5.961070 
1 1 1 -13 -26 24 o 69.526  2.2699  670.455   42.229    700.909   59.548    639.646   59.894    71.178  3.1235  67.874  3.2945  3.303734       4.539799 
1 1 1 -13 -26 25 o 39.183  2.3543  215.352   24.440    207.622   34.994    222.712   34.149    38.437  3.4353  39.930  3.2203  -1.493187      4.708647 
1 1 1 -13 -26 26 o 7.6809  2.5722  -23.1223  13.996    -12.8549  21.106    -31.1809  18.698    8.6648  3.9803  6.6970  3.2592  1.967781       5.144436 
1 1 1 -13 -26 27 o 24.784  2.9573  89.295    18.868    101.347   27.901    79.139    25.612    26.396  4.0777  23.173  4.2843  3.223148       5.914605 
1 1 1 -13 -26 28 o 40.306  2.3333  229.091   24.943    219.980   35.463    238.010   35.089    39.454  3.3887  41.158  3.2083  -1.704521      4.666500 
1 1 1 -13 -26 29 o 17.086  3.4681  44.135    17.114    57.160    24.588    31.895    23.835    19.342  4.7748  14.830  5.0312  4.512474       6.936272 
1 1 1 -13 -26 30 o 45.092  2.3073  288.183   27.546    262.351   39.347    313.012   38.575    42.959  3.4487  47.225  3.0663  -4.266060      4.614683 
1 1 1 -13 -26 31 f 16.153  3.5047  39.700    16.755    47.026    24.072    32.816    23.336    17.424  4.9341  14.882  4.9786  2.542019       7.009410 
1 1 1 -13 -26 32 f 22.648  3.3590  79.688    19.736    65.163    28.447    93.168    27.405    20.312  5.2051  24.983  4.2473  -4.671284      6.718077 
1 1 1 -13 -26 33 o 15.288  3.6343  35.028    17.851    26.894    25.300    43.091    25.191    13.969  5.1409  16.607  5.1385  -2.637416      7.268617 
1 1 1 -13 -26 34 o 9.0378  2.9056  -9.2475   15.452    -14.2193  21.886    -4.3058   21.819    8.5989  3.9867  9.4766  4.2282  -0.8776617     5.811292 
1 1 1 -13 -26 35 o 26.775  3.0897  109.426   21.219    93.939    30.104    124.720   29.915    24.573  4.7455  28.977  3.9577  -4.403770      6.179309 
1 1 1 -13 -26 36 f 14.014  3.6043  25.687    18.651    45.092    26.992    7.9576    25.801    16.646  5.3419  11.382  4.8402  5.263682       7.208582 
1 1 1 -13 -26 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 38 o 21.668  5.3323  79.902    30.737    79.902    30.737    0.0000    0.0000    21.668  5.3323  ?       ?       ?              ?        
1 1 1 -13 -25 1  o 18.127  2.8291  46.808    13.438    62.426    20.228    34.469    17.979    20.872  3.7564  15.382  4.2313  5.489270       5.658153 
1 1 1 -13 -25 2  o 25.018  2.4933  88.601    16.163    82.780    23.413    93.900    22.341    24.139  3.7423  25.896  3.2956  -1.757132      4.986554 
1 1 1 -13 -25 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -25 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -25 5  o 23.357  3.4826  76.702    21.122    0.0000    0.0000    76.702    21.122    ?       ?       23.357  3.4826  ?              ?        
1 1 1 -13 -25 6  o 10.440  2.8252  8.7373    11.263    18.449    17.282    1.5667    14.849    12.134  4.2763  8.7466  3.6933  3.387200       5.650376 
1 1 1 -13 -25 7  o 51.381  2.0519  361.217   28.111    377.226   40.150    345.823   39.370    52.514  2.8653  50.247  2.9381  2.266903       4.103896 
1 1 1 -13 -25 8  o 34.508  2.1695  163.725   19.827    169.981   28.745    158.047   27.385    35.135  3.0857  33.880  3.0504  1.254593       4.338932 
1 1 1 -13 -25 9  o 46.561  2.1220  297.911   26.114    342.901   37.258    254.468   36.611    50.112  2.7868  43.010  3.2009  7.101967       4.244063 
1 1 1 -13 -25 10 o 47.759  2.0836  312.367   26.481    291.997   37.354    332.947   37.546    46.155  3.0385  49.363  2.8518  -3.208298      4.167175 
1 1 1 -13 -25 11 o 40.695  2.1362  227.139   23.094    240.429   32.898    214.226   32.427    41.897  2.9503  39.494  3.0901  2.403481       4.272361 
1 1 1 -13 -25 12 o 20.949  2.7694  62.141    14.931    72.662    21.800    52.845    20.492    22.705  3.7131  19.194  4.1099  3.510859       5.538771 
1 1 1 -13 -25 13 o 29.730  2.4157  123.403   18.616    102.152   26.227    144.981   26.429    27.007  3.7248  32.453  3.0772  -5.446198      4.831486 
1 1 1 -13 -25 14 o 55.945  2.1078  428.096   31.455    437.850   44.192    418.081   44.782    56.614  2.9243  55.275  3.0363  1.338650       4.215532 
1 1 1 -13 -25 15 o 80.019  2.2586  876.364   48.359    910.909   67.927    840.859   68.864    81.665  3.1054  78.374  3.2804  3.291359       4.517150 
1 1 1 -13 -25 16 o 63.221  2.1371  545.536   36.181    548.061   50.723    542.919   51.623    63.384  2.9877  63.059  3.0564  0.3248177      4.274110 
1 1 1 -13 -25 17 o 39.125  2.1662  210.694   22.457    226.263   31.641    194.891   31.879    40.636  2.9267  37.615  3.1943  3.020313       4.332345 
1 1 1 -13 -25 18 o 73.035  2.1998  729.640   43.016    739.975   60.266    718.907   61.417    73.588  3.0576  72.482  3.1635  1.106056       4.399615 
1 1 1 -13 -25 19 o 67.873  2.1721  629.815   39.482    618.072   55.268    642.055   56.422    67.229  3.0692  68.518  3.0744  -1.289543      4.344173 
1 1 1 -13 -25 20 o 39.854  2.2155  219.097   23.423    227.765   32.736    210.006   33.527    40.705  3.0242  39.003  3.2386  1.701809       4.431036 
1 1 1 -13 -25 21 o 48.089  2.1447  317.835   27.383    284.656   38.281    352.605   39.187    45.455  3.1639  50.723  2.8964  -5.267647      4.289460 
1 1 1 -13 -25 22 o 15.480  3.1289  35.247    14.230    21.132    21.780    45.759    18.797    13.169  4.7815  17.792  4.0369  -4.622527      6.257718 
1 1 1 -13 -25 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -25 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -25 25 o 39.136  3.1333  212.342   32.570    212.342   32.570    0.0000    0.0000    39.136  3.1333  ?       ?       ?              ?        
1 1 1 -13 -25 26 o 20.000  3.2081  59.493    16.862    49.446    24.188    68.993    23.519    18.215  4.8655  21.785  4.1828  -3.569351      6.416253 
1 1 1 -13 -25 27 o 45.459  2.2161  287.264   26.814    284.448   38.154    290.011   37.692    45.219  3.1702  45.699  3.0976  -0.4800186     4.432276 
1 1 1 -13 -25 28 o 35.054  2.3986  172.790   22.233    178.165   31.839    167.676   31.059    35.596  3.3800  34.512  3.4042  1.083538       4.797205 
1 1 1 -13 -25 29 o 27.864  2.7460  111.870   19.755    129.861   28.438    95.090    27.464    30.203  3.5853  25.525  4.1604  4.677864       5.492067 
1 1 1 -13 -25 30 o 16.915  3.5415  42.898    17.353    52.846    25.383    34.170    23.778    18.570  4.9945  15.259  5.0223  3.311151       7.082954 
1 1 1 -13 -25 31 f 12.257  3.3190  17.025    15.306    21.397    21.953    12.891    21.351    12.942  4.7842  11.572  4.6015  1.369782       6.637948 
1 1 1 -13 -25 32 o 10.115  3.0101  -0.1569   14.827    16.069    21.070    -16.0756  20.869    11.964  4.6257  8.2666  3.8529  3.697644       6.020171 
1 1 1 -13 -25 33 o 20.175  3.2745  62.014    18.489    99.140    27.046    29.448    25.331    25.934  4.0240  14.416  5.1668  11.51806       6.548932 
1 1 1 -13 -25 34 o 40.395  2.4041  233.385   25.756    228.374   36.716    238.240   36.139    39.914  3.4688  40.876  3.3297  -0.9622803     4.808286 
1 1 1 -13 -25 35 o 31.998  2.7273  149.889   22.847    162.298   32.776    138.159   31.866    33.385  3.7290  30.610  3.9808  2.774853       5.454551 
1 1 1 -13 -25 36 o 15.678  3.5711  37.599    17.933    52.466    25.046    21.962    25.687    18.158  4.9939  13.198  5.1061  4.960019       7.142261 
1 1 1 -13 -25 37 o 23.703  3.4324  89.374    21.196    122.159   30.666    59.384    29.330    28.468  4.1434  18.939  5.4733  9.528080       6.864774 
1 1 1 -13 -25 38 f 22.147  3.3975  81.151    20.391    118.632   28.771    43.325    28.903    28.073  3.9344  16.222  5.5401  11.85135       6.795011 
1 1 1 -13 -25 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -25 40 o 17.205  3.3359  44.721    19.864    1.3368    27.421    92.630    28.816    10.636  4.7432  23.773  4.6920  -13.13664      6.671809 
1 1 1 -13 -24 1  o 40.952  2.0744  230.333   22.601    226.847   31.972    233.815   31.953    40.632  2.9581  41.272  2.9091  -0.6393776     4.148867 
1 1 1 -13 -24 2  o 33.396  2.1955  153.739   19.157    185.549   27.813    125.029   26.423    36.784  2.8451  30.007  3.3445  6.776596       4.390906 
1 1 1 -13 -24 3  f 39.374  2.0432  212.416   21.266    242.789   30.586    183.995   29.587    42.162  2.7229  36.586  3.0469  5.575874       4.086355 
1 1 1 -13 -24 4  o 42.269  2.0474  244.514   23.023    241.629   33.069    247.228   32.073    42.006  2.9580  42.531  2.8316  -0.5249519     4.094886 
1 1 1 -13 -24 5  o 20.410  2.6824  58.015    14.020    75.592    21.188    44.324    18.700    23.240  3.5136  17.580  4.0541  5.659994       5.364819 
1 1 1 -13 -24 6  o 26.930  2.2648  99.918    15.970    110.186   23.327    90.861    21.909    28.262  3.1343  25.598  3.2701  2.663881       4.529671 
1 1 1 -13 -24 7  o 40.928  2.0477  229.502   22.216    209.526   31.642    248.921   31.199    39.116  3.0441  42.740  2.7397  -3.623714      4.095394 
1 1 1 -13 -24 8  o 17.890  2.9026  46.215    13.628    40.145    20.020    51.457    18.603    16.730  4.4065  19.051  3.7791  -2.320641      5.805119 
1 1 1 -13 -24 9  o 8.1273  2.4929  -1.4424   9.6461    -0.9686   16.238    -1.7007   11.991    8.8090  3.7947  7.4456  3.2340  1.363381       4.985870 
1 1 1 -13 -24 10 o 16.336  2.7496  39.365    12.385    21.291    18.247    54.804    16.864    12.873  4.4019  19.799  3.2960  -6.925888      5.499140 
1 1 1 -13 -24 11 f 53.093  2.0451  383.912   28.954    401.114   41.079    366.930   40.816    54.296  2.8345  51.890  2.9488  2.405346       4.090204 
1 1 1 -13 -24 12 o 39.048  2.0881  208.298   21.674    211.544   30.554    205.010   30.749    39.365  2.9186  38.732  2.9871  0.6334839      4.176199 
1 1 1 -13 -24 13 o 40.259  2.0881  221.605   22.327    230.379   31.213    212.412   31.950    41.106  2.8525  39.412  3.0503  1.694221       4.176264 
1 1 1 -13 -24 14 o 55.938  2.0583  425.868   30.727    419.215   42.918    432.864   44.011    55.492  2.8975  56.383  2.9243  -0.8901443     4.116683 
1 1 1 -13 -24 15 o 41.122  2.0814  230.640   22.749    216.395   31.692    245.782   32.674    39.793  2.9954  42.450  2.8909  -2.657658      4.162859 
1 1 1 -13 -24 16 o 38.352  2.1466  201.662   21.819    211.587   30.423    191.150   31.309    39.365  2.9059  37.339  3.1602  2.026222       4.293161 
1 1 1 -13 -24 17 o 68.050  2.1258  630.011   38.731    635.343   54.124    624.414   55.448    68.363  2.9558  67.738  3.0561  0.6252365      4.251653 
1 1 1 -13 -24 18 o 17.620  2.9571  45.139    13.954    32.858    20.181    56.387    19.314    15.273  4.5744  19.968  3.7489  -4.695209      5.914297 
1 1 1 -13 -24 19 o 127.166 2.8896  2231.94   98.418    2235.30   138.584   2228.51   139.793   127.282 4.0650  127.049 4.1080  0.2332077      5.779200 
1 1 1 -13 -24 20 o 21.929  2.7819  68.149    15.736    65.857    22.261    70.439    22.246    21.531  4.0074  22.327  3.8595  -0.7961197     5.563745 
1 1 1 -13 -24 21 o 16.482  3.0282  39.536    13.916    26.221    20.252    51.446    19.154    13.972  4.6369  18.992  3.8960  -5.019519      6.056350 
1 1 1 -13 -24 22 o 48.050  2.0931  316.128   26.779    332.736   37.926    299.615   37.818    49.340  2.8823  46.760  3.0359  2.580421       4.186253 
1 1 1 -13 -24 23 o 43.749  2.1131  262.522   24.601    252.854   34.689    272.305   34.894    42.918  3.0373  44.580  2.9388  -1.661640      4.226264 
1 1 1 -13 -24 24 o 32.774  2.2498  148.421   19.477    158.189   27.915    139.153   27.189    33.855  3.1133  31.694  3.2488  2.161501       4.499695 
1 1 1 -13 -24 25 o 15.063  3.2643  31.881    14.786    41.344    20.846    22.300    20.976    16.852  4.5235  13.274  4.7076  3.578520       6.528656 
1 1 1 -13 -24 26 o 66.376  3.0752  604.891   54.673    0.0000    0.0000    604.891   54.673    ?       ?       66.376  3.0752  ?              ?        
1 1 1 -13 -24 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -24 28 o 33.809  2.4520  161.980   21.482    132.162   30.646    190.784   30.121    30.522  3.8332  37.095  3.0588  -6.572666      4.904017 
1 1 1 -13 -24 29 o 24.955  2.8428  89.673    18.323    91.114    26.800    88.407    25.109    25.101  4.1299  24.810  3.9077  0.2901897      5.685622 
1 1 1 -13 -24 30 o 35.856  2.4136  181.690   22.710    158.355   32.177    204.851   32.057    33.409  3.6555  38.303  3.1526  -4.894203      4.827141 
1 1 1 -13 -24 31 o 15.523  3.2656  33.032    16.373    9.5302    22.886    57.672    23.433    11.438  4.6857  19.607  4.5498  -8.169542      6.531229 
1 1 1 -13 -24 32 o 48.484  2.2501  329.901   29.054    328.616   41.407    331.146   40.777    48.369  3.2144  48.600  3.1494  -0.2314301     4.500102 
1 1 1 -13 -24 33 o 12.509  3.1496  12.559    15.909    -14.9590  22.439    40.369    22.558    8.7404  4.0468  16.277  4.8274  -7.536697      6.299193 
1 1 1 -13 -24 34 o 21.940  3.3180  74.768    19.099    51.718    27.051    97.680    26.970    18.137  5.2607  25.742  4.0449  -7.604721      6.636010 
1 1 1 -13 -24 35 f 12.655  3.2961  13.501    17.137    -13.5379  24.381    39.905    24.093    9.2382  4.2564  16.072  5.0339  -6.833487      6.592172 
1 1 1 -13 -24 36 o 32.135  2.7150  151.192   22.899    148.930   32.557    153.406   32.215    31.855  3.8970  32.415  3.7814  -0.5605812     5.430080 
1 1 1 -13 -24 37 o 33.344  2.7166  163.301   23.817    164.575   33.922    162.061   33.446    33.463  3.8551  33.224  3.8285  0.2391052      5.433151 
1 1 1 -13 -24 38 o 28.149  3.0494  120.384   22.235    113.820   31.241    127.123   31.654    27.272  4.4288  29.026  4.1931  -1.753731      6.098877 
1 1 1 -13 -24 39 o 14.266  3.7148  30.437    18.765    34.121    26.184    26.547    26.908    14.799  5.2585  13.734  5.2485  1.065189       7.429520 
1 1 1 -13 -24 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -24 41 o 11.458  3.4421  9.7898    18.608    0.1846    25.242    21.223    27.540    10.198  4.5491  12.719  5.1671  -2.520382      6.884273 
1 1 1 -13 -23 1  o 33.753  2.0599  156.114   18.427    163.577   26.243    148.857   25.879    34.568  2.8600  32.938  2.9652  1.629925       4.119707 
1 1 1 -13 -23 2  o 50.088  2.0177  341.948   26.957    344.054   38.231    339.865   38.016    50.242  2.8527  49.934  2.8542  0.3081894      4.035361 
1 1 1 -13 -23 3  o 47.180  2.0139  303.388   25.302    321.166   35.922    285.885   35.643    48.578  2.7723  45.783  2.9219  2.795704       4.027749 
1 1 1 -13 -23 4  o 43.548  1.9692  258.159   22.846    258.880   32.589    257.462   32.036    43.603  2.8053  43.493  2.7643  0.1096764      3.938444 
1 1 1 -13 -23 5  o 33.780  2.0788  155.997   18.616    155.369   26.588    156.601   26.073    33.704  2.9758  33.855  2.9034  -0.1511497     4.157526 
1 1 1 -13 -23 6  o 43.088  2.0175  253.324   23.089    235.870   32.955    270.151   32.358    41.589  2.9780  44.586  2.7226  -2.996624      4.034990 
1 1 1 -13 -23 7  o 35.866  2.0722  175.333   19.615    200.938   28.361    151.857   27.156    38.424  2.7743  33.309  3.0787  5.115082       4.144315 
1 1 1 -13 -23 8  o 26.236  2.2294  95.199    15.260    88.826    22.215    100.894   20.999    25.342  3.3552  27.129  2.9367  -1.786882      4.458890 
1 1 1 -13 -23 9  o 37.864  2.0477  195.392   20.602    200.846   29.089    189.905   29.181    38.408  2.8479  37.320  2.9431  1.087448       4.095426 
1 1 1 -13 -23 10 o 38.434  2.0497  201.893   20.825    225.156   29.441    178.598   29.461    40.709  2.7156  36.160  3.0708  4.549515       4.099334 
1 1 1 -13 -23 11 o 25.476  2.4002  90.002    15.875    100.249   22.499    79.842    22.403    26.998  3.1718  23.954  3.6033  3.043837       4.800439 
1 1 1 -13 -23 12 o 18.298  2.7255  47.997    12.935    39.046    18.770    56.093    17.851    16.562  4.2193  20.034  3.4512  -3.471142      5.450989 
1 1 1 -13 -23 13 f 40.402  2.0071  222.008   21.530    202.642   30.079    242.352   30.830    38.566  2.9339  42.239  2.7398  -3.672615      4.014265 
1 1 1 -13 -23 14 o 45.104  2.0066  277.074   24.063    293.764   33.723    259.763   34.345    46.523  2.7181  43.685  2.9526  2.838058       4.013198 
1 1 1 -13 -23 15 o 26.494  2.4402  99.693    16.136    129.635   22.711    69.170    22.930    30.827  2.7805  22.161  4.0108  8.665958       4.880334 
1 1 1 -13 -23 16 o 33.371  2.1628  155.113   18.679    182.793   25.794    124.596   27.084    36.672  2.6438  30.070  3.4237  6.602047       4.325651 
1 1 1 -13 -23 17 o 70.706  2.1195  678.633   40.110    693.861   56.065    662.668   57.406    71.541  2.9259  69.872  3.0674  1.668602       4.239034 
1 1 1 -13 -23 18 o 29.911  2.2340  122.928   17.611    124.490   24.494    121.256   25.337    30.129  3.0785  29.694  3.2382  0.4349346      4.468033 
1 1 1 -13 -23 19 o 60.108  2.0417  489.954   32.866    487.381   46.021    492.632   46.952    59.953  2.8659  60.263  2.9088  -0.3108330     4.083461 
1 1 1 -13 -23 20 o 42.056  2.0597  241.521   22.961    215.813   32.273    267.872   32.674    39.739  3.0555  44.374  2.7628  -4.635017      4.119327 
1 1 1 -13 -23 21 o 30.738  2.2487  129.960   18.227    136.759   25.900    123.288   25.655    31.561  3.1039  29.914  3.2545  1.647337       4.497318 
1 1 1 -13 -23 22 o 32.439  2.2377  145.487   19.032    127.320   27.143    163.056   26.692    30.354  3.3967  34.523  2.9139  -4.168697      4.475302 
1 1 1 -13 -23 23 f 19.688  2.8166  55.622    14.325    47.091    20.546    63.691    19.982    18.100  4.3014  21.275  3.6373  -3.174681      5.633104 
1 1 1 -13 -23 24 o 35.155  2.1952  169.628   20.444    177.153   29.506    162.679   28.353    35.911  3.0979  34.398  3.1110  1.512753       4.390342 
1 1 1 -13 -23 25 o 43.693  2.0705  261.397   24.084    256.784   34.273    265.897   33.849    43.295  2.9735  44.090  2.8822  -0.7944489     4.141083 
1 1 1 -13 -23 26 o 35.205  2.2187  170.829   20.638    187.792   29.590    154.759   28.799    36.957  3.0155  33.453  3.2553  3.504143       4.437371 
1 1 1 -13 -23 27 o 32.403  2.3132  146.562   19.613    128.292   28.101    163.915   27.387    30.313  3.5269  34.492  2.9941  -4.178713      4.626420 
1 1 1 -13 -23 28 o 10.049  2.9132  1.4632    13.630    -15.4559  20.055    15.989    18.582    8.2525  3.8226  11.845  4.3970  -3.592042      5.826314 
1 1 1 -13 -23 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -23 30 o 50.292  3.4302  381.212   38.010    397.453   44.032    333.715   75.298    53.606  3.0796  46.977  6.1304  6.629292       6.860430 
1 1 1 -13 -23 31 o 38.299  2.3181  204.719   23.460    228.481   33.853    182.765   32.539    40.511  3.1445  36.087  3.4068  4.424149       4.636168 
1 1 1 -13 -23 32 o 62.009  2.2388  535.092   37.110    550.763   52.864    519.868   52.108    62.964  3.1346  61.055  3.1975  1.908691       4.477696 
1 1 1 -13 -23 33 o 10.846  3.0091  0.7696    14.913    -23.9234  20.629    27.800    21.583    7.6557  3.6469  14.036  4.7874  -6.380573      6.018264 
1 1 1 -13 -23 34 o 30.325  2.6755  133.608   20.781    163.197   29.686    105.172   29.102    33.932  3.3083  26.718  4.2056  7.213940       5.350928 
1 1 1 -13 -23 35 o 40.380  2.4261  233.274   25.842    210.136   36.855    255.652   36.245    38.239  3.6423  42.522  3.2059  -4.283524      4.852229 
1 1 1 -13 -23 36 o 32.418  2.6618  153.040   22.555    137.044   31.802    169.230   31.993    30.547  3.9816  34.290  3.5340  -3.743933      5.323693 
1 1 1 -13 -23 37 o 15.640  3.7521  37.403    18.851    32.326    26.807    42.369    26.514    14.847  5.3159  16.433  5.2966  -1.585510      7.504156 
1 1 1 -13 -23 38 o 32.553  2.8093  156.714   23.963    163.594   33.942    149.877   33.835    33.347  3.8721  31.759  4.0712  1.588062       5.618564 
1 1 1 -13 -23 39 o 24.468  3.4871  95.017    22.050    104.691   30.980    85.082    31.392    25.995  4.6185  22.940  5.2258  3.055609       6.974179 
1 1 1 -13 -23 40 o 17.715  3.9086  52.843    20.566    54.102    28.291    51.432    29.951    17.971  5.4236  17.458  5.6297  0.5130024      7.817189 
1 1 1 -13 -23 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -23 42 o 18.808  4.0013  64.743    22.368    78.118    31.096    50.403    32.198    21.001  5.4728  16.614  5.8386  4.386103       8.002531 
1 1 1 -13 -22 1  f 12.971  2.6304  23.313    9.9366    15.265    14.134    31.178    13.972    11.117  3.8705  14.825  3.5629  -3.707826      5.260726 
1 1 1 -13 -22 2  o 14.377  2.5408  29.549    10.849    9.4673    15.816    47.391    14.908    10.317  4.0025  18.436  3.1310  -8.119025      5.081663 
1 1 1 -13 -22 3  o 30.809  2.0687  130.143   16.787    117.847   23.866    142.183   23.617    29.317  3.0857  32.301  2.7561  -2.983917      4.137351 
1 1 1 -13 -22 4  o 14.771  2.6244  29.648    10.860    46.091    16.222    16.295    14.619    18.117  3.4693  11.426  3.9387  6.691481       5.248714 
1 1 1 -13 -22 5  o 48.764  1.9743  322.545   25.674    328.809   36.705    316.544   35.925    49.228  2.7953  48.299  2.7888  0.9283257      3.948561 
1 1 1 -13 -22 6  o 21.623  2.4040  64.830    13.362    76.701    19.446    54.212    18.391    23.585  3.1576  19.662  3.6257  3.922457       4.807904 
1 1 1 -13 -22 7  o 40.089  1.9981  218.512   21.296    208.387   30.176    228.558   30.059    39.143  2.8988  41.034  2.7508  -1.890484      3.996212 
1 1 1 -13 -22 8  o 55.823  2.0219  422.131   30.162    411.771   42.895    432.264   42.419    55.097  2.9170  56.550  2.8005  -1.452888      4.043756 
1 1 1 -13 -22 9  o 56.610  2.0026  433.796   30.312    438.061   42.737    429.478   42.999    56.931  2.8026  56.289  2.8614  0.6417618      4.005296 
1 1 1 -13 -22 10 o 62.375  2.0288  526.101   33.891    532.995   47.774    519.116   48.084    62.792  2.8405  61.958  2.8975  0.8346100      4.057558 
1 1 1 -13 -22 11 o 40.968  2.0042  227.829   21.853    222.831   30.573    233.050   31.248    40.506  2.8358  41.429  2.8329  -0.9233208     4.008415 
1 1 1 -13 -22 12 f 39.657  1.9980  213.556   21.078    211.377   29.404    215.860   30.231    39.453  2.8007  39.862  2.8503  -0.4084816     3.996007 
1 1 1 -13 -22 13 o 55.188  1.9724  412.165   29.092    414.103   40.611    410.123   41.695    55.366  2.7385  55.011  2.8394  0.3556099      3.944806 
1 1 1 -13 -22 14 o 72.775  2.1088  717.059   41.083    734.577   57.653    698.989   58.557    73.694  2.9208  71.857  3.0424  1.837486       4.217505 
1 1 1 -13 -22 15 o 26.511  2.2325  96.469    15.481    86.695    21.546    106.901   22.260    25.078  3.2867  27.944  3.0222  -2.866798      4.464999 
1 1 1 -13 -22 16 o 39.485  2.0077  212.536   21.014    228.883   29.427    195.526   30.019    41.076  2.6895  37.894  2.9817  3.182659       4.015444 
1 1 1 -13 -22 17 f 23.795  2.3816  78.410    14.725    73.188    20.791    83.665    20.859    22.957  3.4913  24.633  3.2401  -1.675734      4.763102 
1 1 1 -13 -22 18 o 70.419  2.0680  670.977   38.977    636.259   54.538    707.223   55.725    68.546  2.9705  72.292  2.8779  -3.746033      4.135926 
1 1 1 -13 -22 19 o 75.275  2.1430  768.199   43.192    782.878   60.683    753.127   61.490    76.019  2.9803  74.532  3.0802  1.487427       4.285970 
1 1 1 -13 -22 20 o 25.177  2.4158  88.224    15.689    102.049   22.213    74.463    22.162    27.260  3.0972  23.093  3.7084  4.166578       4.831648 
1 1 1 -13 -22 21 o 20.319  2.6961  58.309    14.101    55.632    20.536    60.696    19.396    19.821  4.0058  20.816  3.6097  -0.9947262     5.392221 
1 1 1 -13 -22 22 o 19.636  2.8104  55.706    14.231    42.518    20.675    67.580    19.618    17.247  4.4469  22.024  3.4378  -4.777191      5.620799 
1 1 1 -13 -22 23 o 57.845  2.0280  454.408   31.365    452.130   44.663    456.625   44.057    57.658  2.9012  58.031  2.8344  -0.3729515     4.055987 
1 1 1 -13 -22 24 o 31.660  2.1778  137.462   18.221    144.489   26.115    130.796   25.436    32.465  3.0385  30.855  3.1206  1.609924       4.355588 
1 1 1 -13 -22 25 o 37.319  2.1230  191.037   20.969    174.229   29.690    207.764   29.619    35.630  3.1433  39.009  2.8545  -3.379482      4.246029 
1 1 1 -13 -22 26 o 35.488  2.2026  174.277   20.543    156.316   29.831    190.480   28.333    33.653  3.3542  37.323  2.8558  -3.670116      4.405234 
1 1 1 -13 -22 27 o 65.414  2.1196  583.942   37.114    568.039   52.913    599.344   52.072    64.511  3.0623  66.317  2.9315  -1.805946      4.239249 
1 1 1 -13 -22 28 o 69.270  2.1530  655.522   39.930    682.669   57.162    629.650   55.803    70.681  3.0193  67.858  3.0702  2.823158       4.306095 
1 1 1 -13 -22 29 o 35.385  2.2646  174.634   21.014    155.816   30.624    191.381   28.889    33.459  3.4675  37.311  2.9139  -3.852459      4.529233 
1 1 1 -13 -22 30 o 45.879  2.1657  290.096   26.457    295.384   37.812    285.025   37.031    46.289  3.0672  45.470  3.0583  0.8183899      4.331375 
1 1 1 -13 -22 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -22 32 o 37.703  2.3636  199.874   23.420    175.142   33.438    223.689   32.813    35.264  3.5902  40.142  3.0751  -4.878136      4.727195 
1 1 1 -13 -22 33 o 20.643  3.2913  63.486    17.841    75.968    25.817    52.078    24.683    22.704  4.4044  18.582  4.8921  4.121950       6.582628 
1 1 1 -13 -22 34 o 19.185  3.4397  55.554    17.950    42.399    24.721    70.224    26.106    16.750  5.0732  21.620  4.6465  -4.870342      6.879466 
1 1 1 -13 -22 35 o 32.926  2.6303  156.495   22.451    184.316   31.971    129.430   31.534    36.065  3.3479  29.788  4.0579  6.276342       5.260662 
1 1 1 -13 -22 36 o 14.954  3.5651  32.176    17.586    19.268    25.087    44.649    24.660    12.929  5.0338  16.980  5.0499  -4.051565      7.130288 
1 1 1 -13 -22 37 o 24.437  3.1787  90.467    20.037    87.984    28.275    92.972    28.399    24.056  4.5550  24.818  4.4349  -0.7624302     6.357348 
1 1 1 -13 -22 38 o 10.353  3.1738  -0.1991   16.776    10.611    22.912    -12.6909  24.631    11.377  4.6777  9.3293  4.2908  2.047282       6.347621 
1 1 1 -13 -22 39 o 20.768  3.6787  69.124    20.873    89.597    30.143    50.263    28.933    23.933  4.8679  17.602  5.5169  6.330854       7.357483 
1 1 1 -13 -22 40 o 29.005  3.2148  130.026   23.945    147.435   33.777    112.438   33.951    31.316  4.1274  26.694  4.9300  4.622375       6.429680 
1 1 1 -13 -22 41 o 26.249  3.5959  112.409   24.261    80.806    33.839    145.836   34.801    21.705  5.7346  30.792  4.3400  -9.086203      7.191719 
1 1 1 -13 -22 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -22 43 o 22.096  3.9321  88.112    23.409    98.002    32.502    77.453    33.744    23.806  5.2394  20.387  5.8647  3.419153       7.864263 
1 1 1 -13 -21 1  o 49.722  1.9458  335.366   25.788    353.348   36.593    317.624   36.347    51.066  2.6848  48.379  2.8171  2.686626       3.891558 
1 1 1 -13 -21 2  o 90.313  2.3127  1106.41   55.941    1105.45   79.535    1107.36   78.696    90.268  3.2896  90.359  3.2516  -0.9133911E-01 4.625347 
1 1 1 -13 -21 3  o 30.979  2.0192  130.833   16.561    129.395   23.631    132.222   23.215    30.802  2.8983  31.156  2.8122  -0.3536568     4.038454 
1 1 1 -13 -21 4  o 73.780  2.1088  736.298   41.670    734.532   59.287    738.021   58.579    73.688  3.0038  73.873  2.9605  -0.1853485     4.217562 
1 1 1 -13 -21 5  o 79.496  2.1823  854.913   46.436    898.868   66.237    812.432   65.117    81.518  3.0336  77.473  3.1380  4.045357       4.364601 
1 1 1 -13 -21 6  o 61.338  2.0154  508.090   33.093    532.072   47.204    484.910   46.407    62.769  2.8076  59.908  2.8921  2.861588       4.030784 
1 1 1 -13 -21 7  f 29.331  2.0596  117.339   15.966    117.983   22.680    116.707   22.481    29.411  2.9175  29.251  2.9079  0.1593342      4.119143 
1 1 1 -13 -21 8  o 51.379  1.9545  357.453   26.779    372.044   37.856    342.838   37.888    52.444  2.7042  50.315  2.8228  2.128929       3.909018 
1 1 1 -13 -21 9  f 49.025  1.9682  325.573   25.722    337.820   36.298    313.219   36.456    49.966  2.7225  48.084  2.8432  1.882000       3.936458 
1 1 1 -13 -21 10 o 41.433  1.9892  233.273   21.776    199.219   30.456    268.892   31.148    38.285  2.9939  44.581  2.6200  -6.296200      3.978416 
1 1 1 -13 -21 11 o 67.605  2.0540  617.092   37.190    606.962   52.253    627.493   52.943    67.041  2.9099  68.168  2.8996  -1.126427      4.107962 
1 1 1 -13 -21 12 o 35.498  1.9923  170.872   18.771    165.174   25.898    177.180   27.245    34.875  2.7959  36.120  2.8389  -1.245407      3.984550 
1 1 1 -13 -21 13 o 42.585  1.9737  245.609   22.381    238.053   31.196    253.622   32.126    41.907  2.7952  43.263  2.7872  -1.355930      3.947397 
1 1 1 -13 -21 14 o 28.043  2.1508  107.187   15.848    96.994    21.826    118.555   23.051    26.605  3.1221  29.480  2.9592  -2.874493      4.301646 
1 1 1 -13 -21 15 o 66.084  2.0100  589.409   35.564    567.534   49.762    612.248   50.847    64.827  2.8658  67.341  2.8190  -2.514420      4.019909 
1 1 1 -13 -21 16 o 63.979  2.0187  553.799   34.531    576.480   48.107    529.694   49.594    65.352  2.7483  62.606  2.9575  2.746658       4.037326 
1 1 1 -13 -21 17 o 8.3152  2.4504  -0.1949   9.4695    8.1131    13.555    -8.1145   13.234    9.5908  3.7096  7.0396  3.2025  2.551151       4.900782 
1 1 1 -13 -21 18 o 24.081  2.3368  79.991    14.633    87.443    20.959    72.903    20.439    25.221  3.1727  22.941  3.4318  2.280672       4.673648 
1 1 1 -13 -21 19 f 26.625  2.2690  97.454    15.830    103.182   22.424    91.764    22.349    27.437  3.1061  25.813  3.3086  1.624138       4.538101 
1 1 1 -13 -21 20 o 55.102  1.9649  410.863   28.948    415.839   40.931    405.883   40.947    55.475  2.7547  54.729  2.8027  0.7461624      3.929813 
1 1 1 -13 -21 21 o 24.367  2.3904  82.019    15.170    86.204    21.807    78.094    21.118    24.988  3.3419  23.745  3.4189  1.242401       4.780894 
1 1 1 -13 -21 22 o 81.361  2.1914  897.537   47.749    882.110   67.595    912.903   67.461    80.653  3.1290  82.068  3.0689  -1.415001      4.382798 
1 1 1 -13 -21 23 o 18.613  2.7986  49.553    13.649    66.509    19.492    33.238    19.120    21.859  3.4431  15.367  4.4128  6.491715       5.597139 
1 1 1 -13 -21 24 o 34.455  2.0625  161.730   18.816    176.135   27.189    148.489   26.067    35.950  2.8469  32.959  2.9851  2.990314       4.124979 
1 1 1 -13 -21 25 o 79.150  2.1886  851.165   46.394    853.098   66.083    849.287   65.150    79.232  3.1139  79.068  3.0763  0.1634140      4.377171 
1 1 1 -13 -21 26 o 57.925  2.0445  457.277   31.566    431.908   45.480    480.857   43.846    56.293  3.0274  59.556  2.7486  -3.262787      4.089050 
1 1 1 -13 -21 27 o 69.166  2.1093  650.899   39.057    642.809   55.902    658.614   54.591    68.726  3.0368  69.605  2.9281  -0.8787918     4.218556 
1 1 1 -13 -21 28 o 50.531  2.0470  348.845   27.552    340.799   39.709    356.315   38.259    49.938  2.9823  51.124  2.8047  -1.186455      4.093973 
1 1 1 -13 -21 29 o 46.466  2.0836  295.132   25.751    320.461   37.103    271.593   35.768    48.418  2.8738  44.513  3.0178  3.905155       4.167270 
1 1 1 -13 -21 30 o 33.629  2.2659  156.309   20.160    158.858   28.836    153.871   28.197    33.896  3.2146  33.362  3.1945  0.5343132      4.531892 
1 1 1 -13 -21 31 o 50.026  2.1108  343.879   28.152    349.536   40.218    338.445   39.419    50.428  2.9909  49.624  2.9795  0.8041077      4.221685 
1 1 1 -13 -21 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -21 33 o 30.407  3.8378  131.380   30.561    131.380   30.561    0.0000    0.0000    30.407  3.8378  ?       ?       ?              ?        
1 1 1 -13 -21 34 o 50.434  2.2447  354.421   30.140    339.069   42.712    369.649   42.538    49.293  3.2533  51.575  3.0936  -2.281414      4.489337 
1 1 1 -13 -21 35 o 10.746  3.1945  3.9226    15.883    12.436    22.557    -4.4482   22.368    11.763  4.7122  9.7291  4.3144  2.033699       6.388909 
1 1 1 -13 -21 36 o 21.499  3.2778  70.649    18.418    86.777    25.948    54.273    26.148    24.269  4.1404  18.729  5.0826  5.540043       6.555539 
1 1 1 -13 -21 37 o 12.451  3.4595  15.918    17.287    6.2442    24.880    24.945    24.036    11.264  4.7698  13.638  5.0120  -2.373658      6.918949 
1 1 1 -13 -21 38 o 33.651  2.7270  166.047   23.909    185.693   33.581    145.849   34.050    35.914  3.5367  31.388  4.1519  4.525873       5.454052 
1 1 1 -13 -21 39 o 22.797  3.4884  81.832    20.772    65.752    29.246    98.201    29.509    20.205  5.3279  25.389  4.5042  -5.184296      6.976747 
1 1 1 -13 -21 40 o 38.916  2.7153  222.355   27.915    232.627   39.822    212.431   39.143    39.862  3.7746  37.970  3.9044  1.892368       5.430618 
1 1 1 -13 -21 41 o 13.185  3.6210  20.301    19.418    35.528    26.482    2.5924    28.558    15.106  5.2958  11.264  4.9396  3.841659       7.241938 
1 1 1 -13 -21 42 o 23.592  3.3568  96.935    24.207    174.184   33.648    14.060    34.852    34.187  3.7355  12.997  5.5784  21.18992       6.713587 
1 1 1 -13 -21 43 o 32.176  4.4372  163.607   37.223    163.607   37.223    0.0000    0.0000    32.176  4.4372  ?       ?       ?              ?        
1 1 1 -13 -20 1  o 50.860  1.9277  350.176   26.160    357.959   37.074    342.457   36.919    51.429  2.7008  50.290  2.7512  1.138889       3.855314 
1 1 1 -13 -20 2  o 83.386  2.2428  940.735   50.087    957.981   71.217    923.856   70.457    84.145  3.1599  82.626  3.1836  1.518623       4.485542 
1 1 1 -13 -20 3  o 83.968  2.2229  953.289   49.989    973.328   71.191    933.799   70.210    84.841  3.1328  83.095  3.1545  1.746208       4.445816 
1 1 1 -13 -20 4  o 47.669  1.9138  307.560   24.321    299.854   34.662    315.033   34.136    47.069  2.7614  48.269  2.6504  -1.200138      3.827557 
1 1 1 -13 -20 5  o 51.318  1.9677  356.360   26.932    345.178   38.204    367.405   37.972    50.506  2.8356  52.131  2.7289  -1.625179      3.935383 
1 1 1 -13 -20 6  o 25.856  2.1899  92.190    14.700    79.122    20.939    104.891   20.643    23.963  3.3542  27.750  2.8163  -3.787052      4.379788 
1 1 1 -13 -20 7  o 52.923  3.6319  381.024   51.171    381.024   51.171    0.0000    0.0000    52.923  3.6319  ?       ?       ?              ?        
1 1 1 -13 -20 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -20 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -20 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -20 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -20 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -20 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -20 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -20 15 o 39.161  3.7271  209.572   38.623    209.572   38.623    0.0000    0.0000    39.161  3.7271  ?       ?       ?              ?        
1 1 1 -13 -20 16 o 115.756 2.6181  1815.56   81.169    1806.53   114.043   1824.83   115.554   115.469 3.6873  116.042 3.7178  -0.5723419     5.236230 
1 1 1 -13 -20 17 o 109.194 2.5212  1615.35   73.720    1645.50   103.779   1584.63   104.740   110.241 3.5146  108.148 3.6158  2.092804       5.042477 
1 1 1 -13 -20 18 o 103.519 2.4458  1451.13   67.813    1455.65   95.508    1446.54   96.302    103.688 3.4389  103.350 3.4789  0.3379745      4.891694 
1 1 1 -13 -20 19 o 46.658  1.9129  294.927   23.760    314.850   33.597    274.994   33.605    48.258  2.6089  45.058  2.7983  3.200207       3.825824 
1 1 1 -13 -20 20 o 95.619  2.3270  1238.26   59.579    1270.68   84.191    1205.74   84.325    96.887  3.2442  94.350  3.3368  2.536995       4.653907 
1 1 1 -13 -20 21 o 81.085  2.1498  889.463   46.670    921.578   66.111    857.560   65.893    82.558  2.9897  79.613  3.0901  2.944962       4.299618 
1 1 1 -13 -20 22 o 55.361  1.9451  414.588   28.786    409.899   41.047    419.126   40.380    55.011  2.7950  55.712  2.7060  -0.7006149     3.890285 
1 1 1 -13 -20 23 o 45.585  1.9490  281.484   23.671    292.031   34.215    271.802   32.782    46.404  2.7653  44.766  2.7472  1.638008       3.897996 
1 1 1 -13 -20 24 o 22.682  2.6088  71.719    14.700    108.111   22.006    42.398    19.753    28.105  2.9681  17.260  4.2910  10.84524       5.217548 
1 1 1 -13 -20 25 o 55.608  1.9853  419.100   29.491    417.356   42.525    420.715   40.934    55.447  2.8733  55.769  2.7403  -0.3221436     3.970540 
1 1 1 -13 -20 26 o 36.373  2.0396  179.598   19.629    202.747   28.718    159.301   26.891    38.596  2.7970  34.150  2.9694  4.445515       4.079271 
1 1 1 -13 -20 27 o 34.540  2.1063  163.521   19.235    155.747   27.838    170.624   26.608    33.713  3.1181  35.367  2.8326  -1.653316      4.212595 
1 1 1 -13 -20 28 o 41.311  2.0708  232.780   22.747    236.572   32.943    229.325   31.447    41.622  2.9746  41.001  2.8818  0.6211243      4.141601 
1 1 1 -13 -20 29 o 52.291  2.0336  372.379   28.343    396.763   40.768    349.568   39.432    53.966  2.8303  50.617  2.9209  3.348698       4.067195 
1 1 1 -13 -20 30 o 29.091  2.3928  117.476   18.226    128.926   25.981    106.382   25.575    30.550  3.2237  27.631  3.5368  2.919355       4.785500 
1 1 1 -13 -20 31 o 39.635  2.1864  216.017   23.022    221.079   32.952    211.189   32.179    40.091  3.0926  39.179  3.0915  0.9116364      4.372770 
1 1 1 -13 -20 32 o 76.217  2.2521  798.601   45.899    746.972   64.942    850.130   64.879    73.690  3.2903  78.745  3.0761  -5.054993      4.504217 
1 1 1 -13 -20 33 o 15.315  4.9633  33.165    23.258    0.0000    0.0000    33.165    23.258    ?       ?       15.315  4.9633  ?              ?        
1 1 1 -13 -20 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -20 35 o 19.408  3.3867  55.972    18.197    80.232    26.457    34.194    25.067    23.370  4.3879  15.446  5.1600  7.923542       6.773360 
1 1 1 -13 -20 36 o 37.473  2.4865  198.911   24.650    207.514   35.127    190.564   34.600    38.308  3.4608  36.637  3.5713  1.671310       4.973018 
1 1 1 -13 -20 37 o 57.723  2.3550  470.172   36.254    469.817   51.511    470.520   51.034    57.686  3.3482  57.760  3.3126  -0.7452774E-01 4.709949 
1 1 1 -13 -20 38 o 18.602  3.6402  54.249    18.717    52.876    25.517    55.848    27.539    18.394  5.0332  18.810  5.2604  -0.4158936     7.280427 
1 1 1 -13 -20 39 o 34.007  2.8025  170.102   24.958    181.712   35.042    158.150   35.555    35.343  3.7594  32.670  4.1573  2.673077       5.605012 
1 1 1 -13 -20 40 o 19.731  3.7642  63.684    21.189    82.753    29.344    42.909    30.629    22.972  4.9176  16.491  5.7002  6.480259       7.528340 
1 1 1 -13 -20 41 o 20.989  3.9081  73.227    22.567    85.348    31.302    60.108    32.565    23.046  5.1952  18.931  5.8399  4.114721       7.816273 
1 1 1 -13 -20 42 o 36.412  3.0516  202.619   28.499    160.515   39.848    246.704   40.775    31.984  4.7996  40.840  3.7700  -8.856415      6.103245 
1 1 1 -13 -20 43 o 9.9617  4.9838  -110.7097 55.807    0.0000    0.0000    -110.7097 55.807    ?       ?       9.9617  4.9838  ?              ?        
1 1 1 -13 -20 44 o 30.018  3.3960  147.611   26.384    147.796   37.418    147.428   37.208    30.022  4.8159  30.014  4.7893  0.8781433E-02  6.791974 
1 1 1 -13 -19 1  f 107.549 3.5693  1566.69   102.820   1566.69   102.820   0.0000    0.0000    107.549 3.5693  ?       ?       ?              ?        
1 1 1 -13 -19 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -19 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -19 4  o 45.519  2.6600  297.433   28.201    248.980   52.071    317.545   33.547    42.534  4.6461  48.503  2.5916  -5.969604      5.320067 
1 1 1 -13 -19 5  o 38.312  1.9166  198.664   19.523    188.945   27.564    208.447   27.655    37.357  2.7746  39.266  2.6448  -1.909191      3.833192 
1 1 1 -13 -19 6  o 58.259  1.9500  457.028   30.421    448.411   43.189    465.514   42.857    57.710  2.7940  58.808  2.7208  -1.098362      3.899904 
1 1 1 -13 -19 7  o 50.391  1.9086  342.911   25.641    359.366   36.212    326.364   36.312    51.618  2.6278  49.164  2.7687  2.453400       3.817245 
1 1 1 -13 -19 8  o 35.805  1.9675  173.547   18.717    172.598   26.160    174.543   26.790    35.708  2.7565  35.903  2.8082  -0.1948586     3.935040 
1 1 1 -13 -19 9  o 70.179  2.0352  663.190   38.246    674.429   53.777    651.687   54.405    70.786  2.8363  69.572  2.9196  1.214066       4.070474 
1 1 1 -13 -19 10 o 73.182  2.0795  722.742   40.648    779.427   57.213    664.967   57.760    76.103  2.8067  70.260  3.0692  5.842979       4.159062 
1 1 1 -13 -19 11 o 37.084  1.9461  186.151   19.180    190.586   26.871    181.545   27.385    37.545  2.6898  36.623  2.8132  0.9225693      3.892180 
1 1 1 -13 -19 12 o 37.702  1.9522  192.377   19.446    165.451   27.065    221.109   27.959    34.937  2.9190  40.467  2.5931  -5.529900      3.904488 
1 1 1 -13 -19 13 o 76.544  2.0792  789.007   42.617    794.792   59.733    783.009   60.821    76.835  2.9025  76.252  2.9779  0.5821609      4.158393 
1 1 1 -13 -19 14 o 69.967  2.0172  658.757   37.794    648.275   52.700    669.856   54.230    69.397  2.8352  70.538  2.8703  -1.141159      4.034462 
1 1 1 -13 -19 15 o 95.878  2.3125  1239.46   59.336    1171.40   83.155    1310.06   84.695    93.184  3.3316  98.571  3.2079  -5.387115      4.624950 
1 1 1 -13 -19 16 o 112.742 2.5544  1717.26   77.116    1663.57   108.443   1772.18   109.684   110.950 3.6491  114.535 3.5753  -3.585205      5.108708 
1 1 1 -13 -19 17 o 95.033  2.9296  1230.11   69.697    1213.35   121.586   1238.31   85.060    94.284  4.8308  95.783  3.3155  -1.499054      5.859103 
1 1 1 -13 -19 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -19 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -19 20 o 185.754 7.6684  4851.81   381.532   4851.81   381.532   0.0000    0.0000    185.754 7.6684  ?       ?       ?              ?        
1 1 1 -13 -19 21 o 131.181 2.8556  2339.25   100.307   2276.68   141.930   2401.69   141.780   129.401 4.0950  132.961 3.9811  -3.559845      5.711188 
1 1 1 -13 -19 22 o 57.534  1.9579  446.512   30.167    457.164   43.023    436.210   42.311    58.210  2.7594  56.858  2.7783  1.352528       3.915743 
1 1 1 -13 -19 23 f 43.589  1.9439  257.194   22.566    268.846   32.474    246.313   31.381    44.549  2.7348  42.629  2.7632  1.920013       3.887738 
1 1 1 -13 -19 24 o 27.573  2.2314  103.298   16.025    123.659   23.844    86.523    21.642    30.090  2.9983  25.056  3.3055  5.034567       4.462766 
1 1 1 -13 -19 25 o 30.088  2.1648  123.626   17.141    126.120   25.442    121.552   23.195    30.344  3.1773  29.832  2.9411  0.5124969      4.329637 
1 1 1 -13 -19 26 o 50.969  1.9771  352.104   26.875    365.171   38.686    339.917   37.362    51.885  2.7940  50.053  2.7980  1.832333       3.954143 
1 1 1 -13 -19 27 o 17.787  2.7619  47.005    13.388    21.259    19.467    70.106    18.440    13.055  4.5426  22.519  3.1429  -9.463588      5.523850 
1 1 1 -13 -19 28 o 22.048  2.6534  68.584    14.795    92.802    21.564    47.044    20.337    25.947  3.1686  18.149  4.2571  7.798464       5.306898 
1 1 1 -13 -19 29 o 19.933  2.9324  57.290    15.215    39.936    21.452    74.857    21.583    16.721  4.6310  23.145  3.5984  -6.424461      5.864735 
1 1 1 -13 -19 30 o 47.507  2.0856  307.177   26.291    348.503   38.223    270.069   36.220    50.577  2.8329  44.438  3.0617  6.139309       4.171262 
1 1 1 -13 -19 31 o 34.779  2.2616  166.426   20.818    169.980   30.104    163.169   28.820    35.126  3.2360  34.432  3.1602  0.6943436      4.523143 
1 1 1 -13 -19 32 o 43.008  2.1490  253.647   24.565    259.562   35.801    248.384   33.768    43.464  3.0955  42.552  2.9816  0.9118652      4.297923 
1 1 1 -13 -19 33 f 8.5231  2.6694  -6.9802   12.398    2.3264    17.684    -15.9764  17.387    9.5658  4.0343  7.4804  3.4966  2.085424       5.338750 
1 1 1 -13 -19 34 o 36.253  2.4721  183.322   23.672    196.788   34.111    170.811   32.877    37.575  3.4269  34.931  3.5638  2.643723       4.944145 
1 1 1 -13 -19 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -19 36 o 20.694  3.4893  64.650    19.068    63.338    27.304    65.899    26.641    20.452  5.0212  20.935  4.8466  -0.4830151     6.978691 
1 1 1 -13 -19 37 o 36.096  2.6191  186.007   24.962    183.976   35.144    188.074   35.460    35.892  3.7091  36.299  3.6989  -0.4069824     5.238268 
1 1 1 -13 -19 38 o 15.640  3.6124  36.556    17.993    47.074    24.489    24.215    26.526    17.467  4.9873  13.814  5.2273  3.653505       7.224851 
1 1 1 -13 -19 39 o 8.8246  2.8570  -13.7203  15.164    -22.9656  19.978    -1.1515   23.293    7.5037  3.5784  10.146  4.4548  -2.641957      5.714046 
1 1 1 -13 -19 40 o 17.946  3.6481  51.521    18.970    63.721    26.201    38.078    27.502    20.144  4.9024  15.748  5.4038  4.396916       7.296214 
1 1 1 -13 -19 41 o 23.841  3.6074  90.734    22.425    108.784   31.771    72.814    31.657    26.604  4.6265  21.077  5.5361  5.526838       7.214763 
1 1 1 -13 -19 42 o 34.430  3.1366  182.555   27.032    235.685   38.528    131.044   37.937    40.160  3.6207  28.700  5.1228  11.45938       6.273209 
1 1 1 -13 -19 43 o 16.781  4.0536  47.440    21.883    47.650    30.772    47.225    31.126    16.815  5.7166  16.746  5.7487  0.6914711E-01  8.107177 
1 1 1 -13 -19 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -18 1  o 111.474 2.5516  1679.53   76.176    1661.23   108.223   1697.50   107.241   110.862 3.6446  112.086 3.5721  -1.223801      5.103202 
1 1 1 -13 -18 2  o 61.986  1.9721  517.285   32.734    504.783   46.363    529.711   46.223    61.235  2.8267  62.738  2.7507  -1.502377      3.944174 
1 1 1 -13 -18 3  o 49.171  1.9058  326.194   25.004    325.176   35.472    327.199   35.251    49.093  2.7081  49.249  2.6824  -0.1563339     3.811659 
1 1 1 -13 -18 4  o 51.504  1.8931  357.656   26.025    362.088   36.881    353.259   36.730    51.825  2.6659  51.184  2.6886  0.6403046      3.786252 
1 1 1 -13 -18 5  o 58.303  1.9501  457.163   30.450    451.342   43.186    462.917   42.939    57.932  2.7831  58.675  2.7322  -0.7425652     3.900117 
1 1 1 -13 -18 6  o 73.989  2.0761  736.402   41.143    736.096   58.363    736.704   58.010    73.973  2.9456  74.005  2.9265  -0.3268433E-01 4.152246 
1 1 1 -13 -18 7  o 140.249 2.9707  2657.59   111.549   2758.42   158.285   2558.11   157.227   142.911 4.1351  137.587 4.2664  5.324020       5.941454 
1 1 1 -13 -18 8  o 85.239  2.1834  978.026   49.817    1015.56   70.326    940.219   70.577    86.890  3.0218  83.588  3.1523  3.301430       4.366700 
1 1 1 -13 -18 9  o 69.284  2.0205  646.229   37.443    677.560   52.551    613.922   53.363    71.000  2.7633  67.567  2.9486  3.433350       4.041073 
1 1 1 -13 -18 10 o 52.144  1.9090  365.486   26.585    344.210   36.980    388.244   38.246    50.534  2.7423  53.753  2.6564  -3.219082      3.817931 
1 1 1 -13 -18 11 o 138.919 2.9405  2605.55   109.395   2543.29   154.332   2668.41   155.087   137.241 4.1984  140.598 4.1182  -3.357132      5.880995 
1 1 1 -13 -18 12 o 23.884  2.3291  78.388    14.180    59.484    19.512    99.546    20.643    20.710  3.6509  27.058  2.8931  -6.348055      4.658261 
1 1 1 -13 -18 13 o 119.608 2.6508  1928.67   84.920    1907.02   119.455   1950.79   120.745   118.929 3.7500  120.286 3.7477  -1.357643      5.301648 
1 1 1 -13 -18 14 o 60.719  1.9283  495.331   31.347    488.313   43.576    502.857   45.129    60.276  2.6991  61.162  2.7548  -0.8865128     3.856627 
1 1 1 -13 -18 15 o 106.980 2.4746  1542.46   70.899    1556.14   99.718    1528.48   100.822   107.466 3.4643  106.494 3.5346  0.9725113      4.949231 
1 1 1 -13 -18 16 o 29.123  2.1341  116.088   16.063    90.383    22.379    143.405   23.070    25.692  3.3304  32.553  2.6694  -6.861166      4.268156 
1 1 1 -13 -18 17 o 83.583  2.1438  940.421   47.993    939.558   67.637    941.296   68.111    83.546  3.0225  83.620  3.0410  -0.7465363E-01 4.287572 
1 1 1 -13 -18 18 o 94.438  2.3055  1201.99   58.310    1177.24   82.318    1226.92   82.609    93.457  3.2885  95.419  3.2322  -1.961601      4.611012 
1 1 1 -13 -18 19 o 128.370 2.7696  2228.82   95.203    2166.94   134.574   2290.81   134.701   126.569 3.9696  130.171 3.8634  -3.601448      5.539249 
1 1 1 -13 -18 20 o 43.643  1.8819  257.349   21.880    254.636   31.407    259.908   30.500    43.411  2.7147  43.875  2.6071  -0.4636841     3.763821 
1 1 1 -13 -18 21 o 73.877  3.9025  741.222   76.947    0.0000    0.0000    741.222   76.947    ?       ?       73.877  3.9025  ?              ?        
1 1 1 -13 -18 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -18 23 o 82.003  2.1563  907.948   47.354    911.426   67.654    904.608   66.303    82.151  3.0746  81.855  3.0241  0.2967300      4.312604 
1 1 1 -13 -18 24 o 97.278  2.3608  1280.80   61.504    1308.06   87.635    1254.34   86.340    98.302  3.3283  96.255  3.3489  2.046257       4.721517 
1 1 1 -13 -18 25 o 76.442  2.1212  789.794   43.423    802.621   62.125    777.542   60.719    77.046  3.0104  75.838  2.9892  1.208168       4.242381 
1 1 1 -13 -18 26 o 59.100  1.9693  471.545   31.159    488.383   44.834    455.813   43.337    60.120  2.7842  58.080  2.7857  2.039524       3.938527 
1 1 1 -13 -18 27 o 38.945  2.0369  206.039   21.055    223.982   30.335    189.359   29.248    40.603  2.8066  37.287  2.9527  3.315422       4.073702 
1 1 1 -13 -18 28 o 14.487  3.1776  28.693    13.578    31.017    20.081    26.736    18.430    14.969  4.5805  14.005  4.4055  0.9647770      6.355273 
1 1 1 -13 -18 29 o 101.821 2.5127  1414.79   68.478    1358.87   97.087    1470.16   96.600    99.776  3.6328  103.866 3.4723  -4.089767      5.025361 
1 1 1 -13 -18 30 o 13.881  2.8990  23.273    13.264    45.985    19.147    2.3162    18.392    17.952  4.0750  9.8089  4.1244  8.143443       5.797964 
1 1 1 -13 -18 31 o 65.807  2.1488  589.372   37.870    591.256   54.021    587.551   53.104    65.903  3.0603  65.711  3.0171  0.1918411      4.297517 
1 1 1 -13 -18 32 o 46.552  2.1852  298.141   26.916    261.898   38.157    334.038   37.975    43.644  3.2882  49.461  2.8789  -5.816662      4.370428 
1 1 1 -13 -18 33 o 35.963  2.3166  178.664   22.067    179.902   31.520    177.475   30.904    36.079  3.2982  35.847  3.2541  0.2312126      4.633292 
1 1 1 -13 -18 34 f 35.943  2.3637  179.709   22.398    196.690   31.644    162.661   31.707    37.728  3.1605  34.159  3.5157  3.569450       4.727493 
1 1 1 -13 -18 35 o 33.827  3.6986  160.922   32.966    0.0000    0.0000    160.922   32.966    ?       ?       33.827  3.6986  ?              ?        
1 1 1 -13 -18 36 o 57.473  3.3840  460.446   51.864    460.446   51.864    0.0000    0.0000    57.473  3.3840  ?       ?       ?              ?        
1 1 1 -13 -18 37 o 12.146  3.3707  11.403    16.910    -3.5714   23.699    26.934    24.136    10.131  4.4693  14.161  5.0469  -4.030040      6.741352 
1 1 1 -13 -18 38 o 16.505  3.6222  41.280    17.687    40.222    24.952    42.347    25.074    16.319  5.1247  16.691  5.1203  -0.3713875     7.244312 
1 1 1 -13 -18 39 o 14.917  3.6501  32.215    18.170    40.679    24.792    22.393    26.708    16.287  5.1072  13.546  5.2162  2.741379       7.300160 
1 1 1 -13 -18 40 o 36.677  2.7377  196.219   26.488    198.462   37.621    194.014   37.300    36.892  3.8645  36.462  3.8788  0.4302216      5.475403 
1 1 1 -13 -18 41 o 37.096  2.8705  204.342   27.419    249.731   39.268    161.158   38.303    41.563  3.5618  32.629  4.5026  8.933571       5.741040 
1 1 1 -13 -18 42 o 8.4555  2.8211  -19.7306  16.206    -20.0508  20.780    -19.2334  25.894    7.8559  3.7184  9.0552  4.2437  -1.199238      5.642231 
1 1 1 -13 -18 43 o 12.653  3.6846  16.486    19.972    18.131    25.904    14.073    31.360    12.568  5.0444  12.737  5.3721  -0.1690340     7.369238 
1 1 1 -13 -18 44 o 16.271  5.6622  44.817    30.246    0.0000    0.0000    44.817    30.246    ?       ?       16.271  5.6622  ?              ?        
1 1 1 -13 -18 45 f 16.253  3.6982  43.371    21.772    75.751    29.686    5.6793    32.028    20.877  5.2995  11.630  5.1597  9.247102       7.396431 
1 1 1 -13 -17 1  f 110.299 2.5390  1640.95   74.978    1594.10   106.419   1687.12   105.656   108.722 3.6544  111.876 3.5259  -3.153915      5.078034 
1 1 1 -13 -17 2  o 83.974  2.1780  949.442   48.945    907.977   69.454    990.347   68.985    82.141  3.1568  85.806  3.0016  -3.664772      4.356009 
1 1 1 -13 -17 3  o 60.460  1.9337  491.156   31.313    497.643   44.515    484.803   44.055    60.855  2.7310  60.064  2.7384  0.7907944      3.867440 
1 1 1 -13 -17 4  o 74.576  2.0825  747.615   41.598    745.334   59.007    749.868   58.651    74.462  2.9585  74.691  2.9317  -0.2286224     4.165081 
1 1 1 -13 -17 5  o 32.798  2.0433  146.776   17.493    175.375   24.865    118.747   24.616    36.046  2.5927  29.551  3.1589  6.494570       4.086630 
1 1 1 -13 -17 6  o 75.473  2.0792  765.435   42.031    767.225   59.372    763.635   59.509    75.562  2.9335  75.384  2.9473  0.1781616      4.158334 
1 1 1 -13 -17 7  o 120.800 2.6834  1964.93   86.824    1972.81   122.923   1957.08   122.653   121.042 3.7915  120.558 3.7983  0.4846115      5.366796 
1 1 1 -13 -17 8  o 72.349  2.0627  703.014   39.961    681.323   56.057    725.426   56.982    71.213  2.9389  73.485  2.8950  -2.272163      4.125315 
1 1 1 -13 -17 9  o 50.508  1.9159  343.560   25.811    344.075   35.927    343.011   37.106    50.552  2.6627  50.464  2.7556  0.8789444E-01  3.831871 
1 1 1 -13 -17 10 o 40.790  1.9335  224.211   20.991    218.047   29.101    230.896   30.307    40.205  2.7183  41.375  2.7504  -1.169647      3.867070 
1 1 1 -13 -17 11 o 128.298 2.7401  2216.49   94.159    2223.71   132.705   2209.16   133.622   128.512 3.8553  128.084 3.8949  0.4283752      5.480252 
1 1 1 -13 -17 12 o 65.370  1.9569  573.841   34.240    572.543   47.509    575.243   49.390    65.296  2.7164  65.443  2.8176  -0.1471176     3.913850 
1 1 1 -13 -17 13 o 161.844 3.2903  3536.36   142.603   3438.35   200.988   3635.71   202.361   159.572 4.7025  164.116 4.6035  -4.543991      6.580656 
1 1 1 -13 -17 14 o 90.258  2.2134  1094.93   53.506    1078.62   75.096    1111.74   76.255    89.575  3.1300  90.940  3.1306  -1.364876      4.426891 
1 1 1 -13 -17 15 o 114.747 2.5361  1772.41   77.943    1769.55   109.844   1775.30   110.618   114.655 3.5768  114.838 3.5962  -0.1830215     5.072107 
1 1 1 -13 -17 16 o 85.888  2.1689  991.881   49.892    1000.48   70.384    983.197   70.733    86.265  3.0462  85.512  3.0882  0.7529221      4.337766 
1 1 1 -13 -17 17 o 75.682  2.0586  769.979   41.726    756.803   58.916    783.239   59.103    75.030  2.9316  76.334  2.8907  -1.303192      4.117107 
1 1 1 -13 -17 18 o 45.042  1.8947  273.585   22.754    271.504   32.218    275.656   32.140    44.869  2.6933  45.215  2.6656  -0.3459435     3.789352 
1 1 1 -13 -17 19 o 36.107  1.9049  176.458   18.259    170.070   26.244    182.452   25.421    35.458  2.7858  36.756  2.5988  -1.298580      3.809814 
1 1 1 -13 -17 20 o 41.094  1.9341  228.069   21.154    228.568   30.452    227.603   29.409    41.132  2.7804  41.056  2.6892  0.7568359E-01  3.868108 
1 1 1 -13 -17 21 o 60.811  1.9762  498.290   32.142    474.604   45.885    521.112   45.039    59.381  2.8849  62.242  2.7016  -2.860668      3.952386 
1 1 1 -13 -17 22 o 108.525 2.5135  1591.03   73.042    1562.87   103.893   1618.55   102.712   107.562 3.6061  109.488 3.5024  -1.925827      5.027004 
1 1 1 -13 -17 23 o 75.608  3.9170  776.267   79.053    0.0000    0.0000    776.267   79.053    ?       ?       75.608  3.9170  ?              ?        
1 1 1 -13 -17 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -17 25 o 9.4786  2.7283  4.6584    10.922    2.3420    15.486    6.9514    15.407    9.1228  3.8066  9.8344  3.9094  -0.7115316     5.456505 
1 1 1 -13 -17 26 o 92.741  2.3314  1164.77   57.901    1154.83   82.550    1174.40   81.234    92.339  3.3376  93.143  3.2561  -0.8039932     4.662831 
1 1 1 -13 -17 27 o 51.149  2.0020  354.076   27.301    369.516   39.483    339.931   37.790    52.218  2.8335  50.079  2.8289  2.139168       4.003961 
1 1 1 -13 -17 28 o 73.970  2.1618  741.609   42.803    723.885   61.118    758.670   59.965    73.084  3.1222  74.856  2.9908  -1.771866      4.323515 
1 1 1 -13 -17 29 o 33.645  2.1873  153.964   19.354    179.712   28.420    131.697   26.429    36.307  2.9479  30.983  3.2323  5.323856       4.374695 
1 1 1 -13 -17 30 o 54.547  2.0558  404.276   29.901    427.502   42.771    382.074   41.818    56.097  2.8560  52.998  2.9577  3.099773       4.111512 
1 1 1 -13 -17 31 o 35.047  2.2096  168.003   20.503    175.450   29.840    161.342   28.220    35.782  3.1454  34.312  3.1042  1.469482       4.419268 
1 1 1 -13 -17 32 o 10.956  2.9292  6.7855    13.028    -9.0295   17.885    24.665    19.017    8.3204  3.7604  13.591  4.4923  -5.271065      5.858438 
1 1 1 -13 -17 33 o 56.285  2.2166  433.707   33.278    441.619   47.669    426.184   46.479    56.782  3.1465  55.788  3.1230  0.9946823      4.433284 
1 1 1 -13 -17 34 o 57.815  2.2298  459.626   34.342    433.586   48.800    485.176   48.339    56.137  3.2595  59.492  3.0437  -3.355633      4.459674 
1 1 1 -13 -17 35 o 11.333  3.2289  8.0252    15.362    -0.2722   21.173    17.249    22.323    10.048  4.3309  12.618  4.7904  -2.569291      6.457868 
1 1 1 -13 -17 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -17 37 o 27.593  2.9658  110.110   21.228    109.208   30.110    111.001   29.932    27.463  4.2290  27.724  4.1591  -0.2615528     5.931518 
1 1 1 -13 -17 38 o 18.497  3.3591  51.511    18.335    80.463    25.878    22.330    25.981    23.373  4.2918  13.621  5.1687  9.752454       6.718259 
1 1 1 -13 -17 39 o 10.479  3.2302  -1.6996   17.323    7.7398    24.616    -10.9600  24.382    11.441  4.7889  9.5171  4.3363  1.924360       6.460405 
1 1 1 -13 -17 40 o 26.530  3.4014  108.587   22.946    75.688    31.924    143.749   33.004    21.766  5.4795  31.293  4.0314  -9.526630      6.802748 
1 1 1 -13 -17 41 o 19.852  3.5679  62.650    19.621    42.960    27.643    82.643    27.855    16.526  5.4140  23.178  4.6485  -6.652805      7.135812 
1 1 1 -13 -17 42 o 19.013  3.2335  54.830    20.852    108.761   29.000    -2.9062   30.006    26.923  4.1552  11.102  4.9555  15.82088       6.467050 
1 1 1 -13 -17 43 o 22.787  3.7968  85.377    22.863    94.184    31.811    75.968    32.882    24.280  5.0559  21.294  5.6658  2.985441       7.593635 
1 1 1 -13 -17 44 o 12.681  3.6922  17.206    20.305    21.428    27.478    12.127    30.138    13.059  5.2115  12.303  5.2315  0.7561264      7.384300 
1 1 1 -13 -17 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -16 1  o 130.340 2.8395  2292.57   98.967    2149.88   140.326   2433.79   139.597   126.271 4.1490  134.408 3.8776  -8.136848      5.678920 
1 1 1 -13 -16 2  o 25.297  2.1396  87.541    14.069    100.895   20.036    74.551    19.761    27.268  2.7822  23.326  3.2512  3.941872       4.279120 
1 1 1 -13 -16 3  o 107.083 2.4877  1542.46   71.343    1525.35   101.398   1559.24   100.397   106.490 3.5549  107.676 3.4811  -1.186028      4.975477 
1 1 1 -13 -16 4  o 74.593  2.0710  747.471   41.364    727.298   58.604    767.497   58.391    73.587  2.9733  75.599  2.8836  -2.012741      4.141968 
1 1 1 -13 -16 5  o 107.704 2.4810  1559.69   71.543    1618.24   101.507   1501.88   100.852   109.719 3.4540  105.688 3.5626  4.030922       4.962081 
1 1 1 -13 -16 6  f 172.394 3.4687  4009.77   160.100   4157.34   226.918   3863.51   225.915   175.573 4.8253  169.215 4.9844  6.357849       6.937422 
1 1 1 -13 -16 7  o 38.265  1.9719  198.530   19.965    215.122   27.772    180.781   28.722    39.954  2.6094  36.575  2.9572  3.378929       3.943849 
1 1 1 -13 -16 8  o 68.499  1.9910  629.686   36.523    622.976   51.087    636.701   52.233    68.127  2.7997  68.871  2.8315  -0.7446060     3.981910 
1 1 1 -13 -16 9  f 58.509  1.9292  459.948   30.196    473.893   42.106    445.181   43.328    59.427  2.6453  57.591  2.8089  1.835640       3.858418 
1 1 1 -13 -16 10 o 110.072 2.4904  1628.10   73.418    1598.63   103.272   1658.21   104.395   109.063 3.5352  111.080 3.5088  -2.016922      4.980876 
1 1 1 -13 -16 11 o 154.369 3.1344  3209.23   129.596   3206.17   182.734   3212.32   183.825   154.297 4.4215  154.441 4.4438  -0.1437073     6.268735 
1 1 1 -13 -16 12 o 182.989 3.6323  4519.04   178.017   4570.17   251.238   4467.48   252.274   184.039 5.0967  181.938 5.1768  2.100876       7.264646 
1 1 1 -13 -16 13 o 110.209 2.4822  1632.48   73.269    1622.55   102.988   1642.66   104.259   109.870 3.4996  110.547 3.5211  -0.6763458     4.964413 
1 1 1 -13 -16 14 f 29.465  2.0847  117.745   16.227    114.722   22.900    120.795   22.999    29.077  2.9825  29.853  2.9134  -0.7757854     4.169335 
1 1 1 -13 -16 15 o 173.949 3.4558  4083.49   161.003   4121.44   227.425   4045.36   227.962   174.767 4.8584  173.131 4.9158  1.636185       6.911522 
1 1 1 -13 -16 16 o 74.557  2.0285  746.541   40.504    759.644   57.339    733.490   57.225    75.211  2.8463  73.902  2.8909  1.309219       4.056938 
1 1 1 -13 -16 17 o 85.269  2.1720  977.292   49.589    948.209   70.197    1006.27   70.063    83.998  3.1201  86.541  3.0226  -2.542496      4.344055 
1 1 1 -13 -16 18 f 118.350 2.6044  1885.75   82.518    1961.89   117.118   1810.69   116.283   120.733 3.6217  115.967 3.7436  4.765556       5.208763 
1 1 1 -13 -16 19 o 52.018  1.9110  364.595   26.509    360.530   38.219    368.363   36.800    51.730  2.7684  52.305  2.6352  -0.5749168     3.822063 
1 1 1 -13 -16 20 f 78.604  2.1055  831.449   44.293    804.381   63.216    857.552   62.078    77.339  3.0517  79.870  2.9018  -2.531105      4.211072 
1 1 1 -13 -16 21 o 166.920 3.4450  3775.34   154.012   3739.11   218.435   3811.17   217.182   166.108 4.9095  167.731 4.8341  -1.622955      6.890034 
1 1 1 -13 -16 22 o 22.077  2.5014  67.256    14.282    69.331    20.675    65.363    19.751    22.404  3.5648  21.749  3.5100  0.6550045      5.002821 
1 1 1 -13 -16 23 o 72.250  2.0742  703.415   40.097    684.785   57.559    720.979   55.889    71.309  3.0136  73.191  2.8509  -1.881454      4.148392 
1 1 1 -13 -16 24 o 66.212  2.0289  590.042   35.967    605.499   51.764    575.613   50.013    67.048  2.8824  65.376  2.8561  1.672234       4.057729 
1 1 1 -13 -16 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -16 26 o 90.544  3.2910  1108.42   79.815    1108.42   79.815    0.0000    0.0000    90.544  3.2910  ?       ?       ?              ?        
1 1 1 -13 -16 27 o 41.721  2.0356  236.501   22.548    230.053   32.810    242.272   31.039    41.157  2.9969  42.286  2.7555  -1.128834      4.071145 
1 1 1 -13 -16 28 o 36.459  2.0878  180.701   20.189    193.029   29.009    169.122   28.114    37.682  2.8964  35.235  3.0077  2.446606       4.175571 
1 1 1 -13 -16 29 o 62.166  2.1023  524.424   34.902    503.799   49.885    544.201   48.850    60.908  3.0676  63.425  2.8755  -2.516205      4.204630 
1 1 1 -13 -16 30 o 26.969  2.4325  100.662   17.130    95.801    24.575    105.256   23.891    26.291  3.5832  27.648  3.2907  -1.356937      4.864975 
1 1 1 -13 -16 31 o 13.505  2.8873  23.304    12.952    41.054    17.673    2.7106    19.036    16.985  3.9581  10.026  4.2048  6.958570       5.774683 
1 1 1 -13 -16 32 f 40.067  2.2184  219.756   23.607    217.933   33.805    221.491   32.980    39.889  3.1907  40.245  3.0830  -0.3557396     4.436860 
1 1 1 -13 -16 33 o 51.276  2.1637  359.110   29.566    375.443   42.356    343.588   41.291    52.426  3.0292  50.125  3.0905  2.300907       4.327486 
1 1 1 -13 -16 34 o 58.798  2.2220  473.865   34.853    459.916   49.339    487.757   49.239    57.910  3.1932  59.686  3.0906  -1.775776      4.443922 
1 1 1 -13 -16 35 o 35.478  2.4734  174.937   23.178    184.165   33.083    166.042   32.481    36.429  3.4310  34.527  3.5635  1.901985       4.946763 
1 1 1 -13 -16 36 o 13.795  3.4958  24.077    16.571    29.259    22.246    17.619    24.836    14.570  4.8609  13.019  5.0253  1.551712       6.991589 
1 1 1 -13 -16 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -16 38 o 18.644  3.6473  52.825    18.829    51.924    27.172    53.657    26.117    18.479  5.2456  18.810  5.0691  -0.3312244     7.294660 
1 1 1 -13 -16 39 o 17.667  3.4994  47.310    18.337    67.820    25.745    26.191    26.125    21.196  4.6616  14.138  5.2205  7.057693       6.998873 
1 1 1 -13 -16 40 o 48.134  2.5354  331.461   32.415    343.659   45.488    318.876   46.203    49.126  3.4795  47.142  3.6885  1.984009       5.070709 
1 1 1 -13 -16 41 o 14.898  3.7075  32.668    18.649    39.250    25.087    24.537    27.882    15.940  5.1536  13.856  5.3313  2.084459       7.414965 
1 1 1 -13 -16 42 o 31.907  3.1359  153.900   26.027    163.052   36.844    144.783   36.771    32.994  4.2692  30.821  4.5946  2.173349       6.271884 
1 1 1 -13 -16 43 o 12.135  3.5275  12.123    18.618    3.0833    25.279    22.840    27.522    10.830  4.6998  13.440  5.2615  -2.609656      7.054911 
1 1 1 -13 -16 44 o 11.909  3.1392  18.880    14.045    1.3995    25.367    26.607    16.866    10.586  4.6485  13.232  4.2202  -2.645689      6.278397 
1 1 1 -13 -16 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -16 46 o 12.192  3.3046  21.691    14.777    12.035    28.357    25.290    17.313    11.711  5.0294  12.673  4.2880  -0.9616127     6.609240 
1 1 1 -13 -15 1  o 76.833  2.0982  793.127   43.153    762.844   61.156    823.158   60.901    75.367  3.0295  78.299  2.9039  -2.931602      4.196455 
1 1 1 -13 -15 2  o 35.364  1.9150  169.397   17.867    145.993   25.132    193.314   25.406    32.853  2.8853  37.876  2.5187  -5.022915      3.830003 
1 1 1 -13 -15 3  o 172.016 3.4754  3988.10   160.117   4052.97   227.138   3924.02   225.749   173.412 4.8902  170.620 4.9398  2.791855       6.950885 
1 1 1 -13 -15 4  o 19.530  2.4585  55.089    12.030    81.822    17.112    28.967    16.915    24.554  2.6435  14.506  4.1460  10.04813       4.917073 
1 1 1 -13 -15 5  o 83.625  2.1491  938.710   48.128    960.892   68.169    916.663   67.959    84.612  3.0079  82.638  3.0703  1.974060       4.298161 
1 1 1 -13 -15 6  o 101.332 2.3611  1378.88   64.078    1400.12   90.534    1357.56   90.707    102.116 3.3100  100.547 3.3681  1.568878       4.722273 
1 1 1 -13 -15 7  o 98.241  2.3021  1296.14   60.552    1335.14   85.453    1256.82   85.815    99.729  3.1990  96.752  3.3114  2.977577       4.604241 
1 1 1 -13 -15 8  o 35.180  1.9529  166.760   18.231    155.903   25.246    178.590   26.354    33.974  2.7992  36.385  2.7239  -2.411053      3.905791 
1 1 1 -13 -15 9  o 60.032  1.9034  482.899   30.588    462.805   42.497    504.498   44.061    58.737  2.7012  61.326  2.6824  -2.589413      3.806788 
1 1 1 -13 -15 10 o 105.918 2.4258  1506.18   68.812    1480.10   96.630    1533.01   98.016    104.987 3.4363  106.848 3.4248  -1.860985      4.851540 
1 1 1 -13 -15 11 o 43.759  1.8560  257.500   21.639    250.806   29.941    264.820   31.309    43.164  2.6019  44.353  2.6475  -1.189827      3.712049 
1 1 1 -13 -15 12 o 89.742  2.1899  1081.71   52.603    1110.10   73.702    1052.23   75.103    90.947  3.0255  88.536  3.1670  2.411240       4.379893 
1 1 1 -13 -15 13 f 53.337  1.8584  382.189   26.497    386.091   37.130    378.139   37.824    53.650  2.5839  53.025  2.6717  0.6252708      3.716781 
1 1 1 -13 -15 14 o 176.249 3.5034  4185.54   165.360   4087.45   233.409   4284.38   234.302   174.165 5.0034  178.333 4.9052  -4.167450      7.006793 
1 1 1 -13 -15 15 o 137.692 2.8965  2550.42   106.804   2601.67   150.859   2498.93   151.228   139.085 4.0495  136.298 4.1424  2.787186       5.792937 
1 1 1 -13 -15 16 o 38.830  1.8957  203.276   19.595    203.838   27.879    202.728   27.547    38.882  2.6935  38.778  2.6684  0.1043167      3.791460 
1 1 1 -13 -15 17 o 71.638  1.9931  688.749   38.230    715.378   54.471    662.896   53.670    73.004  2.7856  70.272  2.8514  2.732643       3.986274 
1 1 1 -13 -15 18 f 140.545 2.9266  2659.68   110.146   2736.75   156.243   2583.54   155.300   142.578 4.0913  138.512 4.1859  4.065384       5.853278 
1 1 1 -13 -15 19 f 133.631 2.8426  2404.47   101.742   2432.23   144.547   2377.21   143.233   134.396 4.0154  132.865 4.0248  1.530594       5.685296 
1 1 1 -13 -15 20 o 113.998 2.5733  1749.43   78.551    1721.82   111.802   1776.33   110.386   113.102 3.6905  114.895 3.5870  -1.792496      5.146499 
1 1 1 -13 -15 21 o 56.251  1.9291  425.183   28.826    490.999   41.698    364.936   39.895    60.468  2.5745  52.035  2.8735  8.433033       3.858175 
1 1 1 -13 -15 22 o 55.260  1.9788  414.888   28.935    363.212   41.932    461.857   39.977    51.882  3.0306  58.639  2.5453  -6.757011      3.957678 
1 1 1 -13 -15 23 o 105.687 2.4751  1505.27   70.054    1504.22   99.903    1506.28   98.260    105.645 3.5305  105.729 3.4697  -0.8346558E-01 4.950103 
1 1 1 -13 -15 24 o 112.017 2.5518  1693.04   76.559    1698.63   108.957   1687.59   107.598   112.196 3.6257  111.839 3.5919  0.3571701      5.103650 
1 1 1 -13 -15 25 o 55.806  1.9664  420.315   29.294    406.125   42.110    433.620   40.777    54.844  2.8766  56.767  2.6818  -1.922798      3.932853 
1 1 1 -13 -15 26 o 65.710  3.8659  586.773   67.742    0.0000    0.0000    586.773   67.742    ?       ?       65.710  3.8659  ?              ?        
1 1 1 -13 -15 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -15 28 o 13.084  2.6840  21.693    11.623    39.944    15.952    1.0389    16.970    16.844  3.6420  9.3250  3.9435  7.518657       5.367962 
1 1 1 -13 -15 29 o 11.908  3.0569  15.919    12.644    12.723    17.707    19.244    18.060    11.290  4.2712  12.526  4.3744  -1.235620      6.113793 
1 1 1 -13 -15 30 o 59.563  2.1182  480.953   33.726    484.622   48.364    477.480   47.056    59.739  3.0325  59.387  2.9583  0.3521271      4.236414 
1 1 1 -13 -15 31 o 89.771  2.3878  1096.14   57.413    1106.06   81.377    1086.31   81.012    90.179  3.3690  89.364  3.3845  0.8147964      4.775516 
1 1 1 -13 -15 32 o 38.466  2.2720  202.581   23.194    201.960   32.800    203.202   32.801    38.405  3.2183  38.527  3.2078  -0.1217117     4.543942 
1 1 1 -13 -15 33 o 53.067  2.1666  384.024   30.650    400.494   44.011    368.514   42.709    54.181  3.0450  51.954  3.0829  2.226883       4.333185 
1 1 1 -13 -15 34 o 46.228  2.2315  292.763   27.458    285.858   38.292    300.070   39.395    45.667  3.1498  46.789  3.1620  -1.122246      4.463099 
1 1 1 -13 -15 35 o 22.097  2.9764  70.808    16.853    94.482    24.146    48.318    23.534    25.981  3.5636  18.213  4.7682  7.767733       5.952733 
1 1 1 -13 -15 36 o 24.798  2.9340  87.933    18.790    87.571    26.137    88.321    27.031    24.768  4.0819  24.828  4.2155  -0.5966187E-01 5.867916 
1 1 1 -13 -15 37 o 9.7165  4.2967  -4.8453   22.034    0.0000    0.0000    -4.8453   22.034    ?       ?       9.7165  4.2967  ?              ?        
1 1 1 -13 -15 38 o 47.412  2.5351  319.124   31.475    369.055   43.905    266.331   45.146    51.512  3.1979  43.312  3.9345  8.200058       5.070192 
1 1 1 -13 -15 39 o 10.071  3.1164  -2.6647   16.254    4.8795    22.019    -11.6983  24.095    10.696  4.5059  9.4459  4.3065  1.250187       6.232879 
1 1 1 -13 -15 40 o 45.002  2.5639  289.171   30.633    288.013   42.790    290.388   43.875    44.940  3.5847  45.063  3.6668  -0.1231155     5.127885 
1 1 1 -13 -15 41 o 12.239  3.4176  13.532    17.700    27.899    23.558    -5.0870   26.820    14.026  4.9874  10.453  4.6740  3.573213       6.835234 
1 1 1 -13 -15 42 o 7.8477  2.5706  -8.9803   11.063    -9.4645   22.091    -8.8182   12.781    9.0479  4.1245  6.6475  3.0695  2.400410       5.141280 
1 1 1 -13 -15 43 o 11.785  3.2442  15.861    13.914    17.448    25.046    15.152    16.733    12.494  4.9789  11.075  4.1604  1.419330       6.488331 
1 1 1 -13 -15 44 o 12.262  2.8209  -8.8840   12.715    58.571    25.490    -31.2301  14.671    19.053  4.9500  5.4719  2.7069  13.58063       5.641758 
1 1 1 -13 -15 45 f 16.489  3.5297  40.767    16.087    59.643    28.707    32.126    19.423    18.712  5.4171  14.266  4.5265  4.445670       7.059304 
1 1 1 -13 -15 46 o 14.127  3.5810  29.760    16.181    43.247    29.154    23.755    19.453    15.735  5.5532  12.519  4.5229  3.215856       7.162015 
1 1 1 -13 -14 1  o 123.540 2.6942  2051.52   89.125    2003.19   126.399   2099.31   125.688   122.086 3.8653  124.993 3.7542  -2.907204      5.388394 
1 1 1 -13 -14 2  o 250.929 4.7915  8519.48   322.027   8459.59   456.043   8579.04   454.790   250.036 6.8095  251.821 6.7426  -1.784348      9.582909 
1 1 1 -13 -14 3  o 163.330 3.3188  3589.37   145.181   3645.84   205.937   3533.58   204.703   164.610 4.6708  162.049 4.7162  2.561447       6.637647 
1 1 1 -13 -14 4  o 143.576 3.0107  2771.05   115.765   2830.45   164.174   2712.32   163.263   145.110 4.2239  142.041 4.2913  3.068771       6.021334 
1 1 1 -13 -14 5  o 84.786  2.1566  964.533   48.974    955.965   69.140    973.161   69.379    84.408  3.0582  85.164  3.0415  -0.7566528     4.313101 
1 1 1 -13 -14 6  o 85.089  2.1536  971.453   49.078    977.040   69.137    965.778   69.680    85.336  3.0248  84.841  3.0663  0.4953537      4.307122 
1 1 1 -13 -14 7  o 169.768 3.3952  3877.77   154.356   3963.29   218.249   3792.18   218.336   171.650 4.7470  167.887 4.8553  3.763168       6.790315 
1 1 1 -13 -14 8  o 87.460  2.1781  1027.32   50.971    1070.17   71.631    983.375   72.546    89.314  2.9943  85.607  3.1638  3.706970       4.356105 
1 1 1 -13 -14 9  o 33.326  1.9791  149.364   17.228    117.681   23.480    186.320   25.358    29.464  3.0178  37.188  2.5615  -7.723942      3.958279 
1 1 1 -13 -14 10 o 225.362 4.3384  6851.65   261.879   6830.00   369.818   6873.42   370.891   225.005 6.1363  225.719 6.1346  -0.7146606     8.676877 
1 1 1 -13 -14 11 o 107.541 2.4390  1552.24   70.251    1528.53   98.666    1576.63   100.047   106.708 3.4521  108.374 3.4466  -1.666122      4.878095 
1 1 1 -13 -14 12 o 144.696 3.0041  2813.92   116.422   2777.94   164.019   2850.45   165.278   143.762 4.2595  145.629 4.2372  -1.866959      6.008104 
1 1 1 -13 -14 13 o 83.051  2.0846  925.667   46.359    943.909   65.233    907.052   65.896    83.881  2.9035  82.222  2.9921  1.658340       4.169294 
1 1 1 -13 -14 14 o 166.110 3.3381  3713.28   148.481   3806.19   209.897   3620.22   210.071   168.200 4.6590  164.020 4.7817  4.180420       6.676113 
1 1 1 -13 -14 15 o 261.471 4.9770  9255.99   348.490   9478.53   493.097   9033.91   492.582   264.644 6.9564  258.298 7.1198  6.345612       9.954021 
1 1 1 -13 -14 16 o 35.486  1.9294  170.750   18.103    156.259   26.099    184.185   25.131    34.003  2.8931  36.970  2.5535  -2.966515      3.858815 
1 1 1 -13 -14 17 o 120.504 2.6059  1951.05   84.093    2004.43   119.418   1898.55   118.440   122.143 3.6502  118.866 3.7201  3.277184       5.211798 
1 1 1 -13 -14 18 o 76.888  2.0493  793.405   42.194    795.745   60.352    791.168   59.014    76.997  2.9264  76.779  2.8696  0.2185135      4.098581 
1 1 1 -13 -14 19 o 139.147 2.8958  2605.17   107.923   2619.62   153.413   2591.01   151.852   139.528 4.1050  138.767 4.0855  0.7607422      5.791588 
1 1 1 -13 -14 20 o 172.680 3.4940  4023.92   161.598   4005.89   229.378   4041.69   227.699   172.288 4.9706  173.072 4.9118  -0.7837372     6.988044 
1 1 1 -13 -14 21 o 108.824 2.5077  1592.86   73.081    1594.61   104.366   1591.18   102.368   108.878 3.5787  108.770 3.5137  0.1086121      5.015349 
1 1 1 -13 -14 22 o 46.217  1.9956  290.503   24.355    261.877   35.722    315.369   33.294    44.037  3.0472  48.397  2.5777  -4.359230      3.991202 
1 1 1 -13 -14 23 o 70.262  2.0504  662.964   38.570    685.779   55.526    641.692   53.615    71.429  2.9023  69.095  2.8970  2.333641       4.100726 
1 1 1 -13 -14 24 o 84.368  2.2366  958.307   50.517    945.092   72.295    970.916   70.618    83.792  3.2212  84.944  3.1038  -1.152527      4.473209 
1 1 1 -13 -14 25 o 67.611  2.0755  614.840   37.575    628.653   53.975    601.852   52.340    68.346  2.9484  66.876  2.9219  1.469818       4.151030 
1 1 1 -13 -14 26 o 43.333  2.0177  254.028   23.270    250.055   33.419    257.767   32.422    42.993  2.9194  43.674  2.7861  -0.6803360     4.035491 
1 1 1 -13 -14 27 o 110.690 4.9751  1671.80   147.502   0.0000    0.0000    1671.80   147.502   ?       ?       110.690 4.9751  ?              ?        
1 1 1 -13 -14 28 o 39.603  4.0434  215.185   42.289    215.185   42.289    0.0000    0.0000    39.603  4.0434  ?       ?       ?              ?        
1 1 1 -13 -14 29 o 69.223  2.1676  647.815   40.187    651.845   57.219    643.893   56.456    69.433  3.0767  69.013  3.0541  0.4200439      4.335158 
1 1 1 -13 -14 30 o 42.389  2.1264  244.551   23.953    257.908   33.820    231.107   33.930    43.576  2.9144  41.201  3.0973  2.374969       4.252845 
1 1 1 -13 -14 31 o 60.378  2.1347  494.616   34.449    511.445   48.865    477.987   48.572    61.449  2.9689  59.307  3.0682  2.142750       4.269457 
1 1 1 -13 -14 32 o 97.554  2.5182  1297.58   65.793    1305.19   92.602    1289.83   93.495    97.857  3.5330  97.252  3.5892  0.6047516      5.036303 
1 1 1 -13 -14 33 o 8.9565  2.7166  -0.8905   11.776    3.1521    16.339    -5.2607   16.988    9.4185  3.9184  8.4944  3.7637  0.9241323      5.433167 
1 1 1 -13 -14 34 o 20.898  3.0305  63.349    16.619    35.180    23.070    93.736    23.961    15.851  4.9195  25.945  3.5405  -10.09329      6.061090 
1 1 1 -13 -14 35 o 48.760  2.2760  326.341   29.514    303.398   41.276    350.345   42.218    46.969  3.3019  50.552  3.1334  -3.582584      4.552059 
1 1 1 -13 -14 36 o 50.966  2.3231  358.601   31.493    375.414   44.139    341.168   44.948    52.239  3.1695  49.693  3.3973  2.546635       4.646271 
1 1 1 -13 -14 37 f 39.440  2.4612  216.704   25.726    214.640   35.913    218.880   36.871    39.259  3.4503  39.621  3.5107  -0.3617973     4.922325 
1 1 1 -13 -14 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -14 39 o 27.677  3.0987  111.907   22.108    110.726   29.853    113.342   32.899    27.621  4.1645  27.732  4.5896  -0.1108360     6.197373 
1 1 1 -13 -14 40 o 19.351  3.6523  58.149    19.292    60.853    26.366    55.032    28.304    19.902  4.9629  18.800  5.3597  1.102486       7.304542 
1 1 1 -13 -14 41 o 8.0794  2.5809  -4.9499   10.618    -5.1889   20.444    -4.8616   12.425    9.1364  4.0834  7.0224  3.1576  2.113993       5.161814 
1 1 1 -13 -14 42 o 15.759  3.2615  34.868    14.070    51.300    24.642    26.920    17.138    18.053  4.9486  13.464  4.2498  4.588624       6.523021 
1 1 1 -13 -14 43 o 15.054  3.0388  20.193    14.023    71.279    26.417    0.1529    16.546    21.352  4.7425  8.7553  3.8009  12.59651       6.077699 
1 1 1 -13 -14 44 o 13.571  3.4555  24.521    14.849    34.672    27.722    20.437    17.584    15.046  5.4039  12.097  4.3080  2.948836       6.910917 
1 1 1 -13 -14 45 o 15.370  3.5260  38.080    16.021    35.054    29.362    39.362    19.117    14.964  5.5327  15.776  4.3726  -0.8126469     7.051941 
1 1 1 -13 -14 46 o 14.924  6.8475  16.888    62.211    16.888    62.211    0.0000    0.0000    14.924  6.8475  ?       ?       ?              ?        
1 1 1 -13 -13 1  o 201.898 3.9576  5494.94   213.932   5322.49   302.965   5666.43   302.128   198.717 5.6921  205.080 5.5002  -6.363556      7.915292 
1 1 1 -13 -13 2  o 151.939 3.1075  3103.58   126.447   3058.14   179.302   3148.54   178.348   150.827 4.4383  153.052 4.3505  -2.224411      6.214927 
1 1 1 -13 -13 3  o 163.623 3.3209  3600.57   145.532   3558.95   206.250   3641.83   205.380   162.676 4.7335  164.570 4.6593  -1.893921      6.641877 
1 1 1 -13 -13 4  o 151.636 3.9914  3149.10   151.528   3250.19   185.721   2947.82   262.069   155.502 4.4590  147.769 6.6213  7.732391       7.982717 
1 1 1 -13 -13 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -13 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -13 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -13 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -13 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -13 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -13 11 o 69.917  2.6952  693.604   44.607    743.322   53.320    577.664   81.425    74.452  2.6738  65.382  4.6805  9.070885       5.390384 
1 1 1 -13 -13 12 o 249.265 4.7692  8390.88   318.381   8527.04   449.925   8254.30   450.594   251.309 6.6841  247.221 6.8047  4.088104       9.538438 
1 1 1 -13 -13 13 o 172.960 3.4354  4023.88   159.149   3988.19   224.789   4059.75   225.352   172.189 4.8740  173.731 4.8428  -1.542816      6.870808 
1 1 1 -13 -13 14 o 90.717  2.1644  1104.08   52.591    1108.53   74.497    1099.66   74.254    90.899  3.0598  90.534  3.0621  0.3646545      4.328804 
1 1 1 -13 -13 15 o 182.859 3.6032  4501.52   176.413   4653.77   249.915   4350.31   249.059   185.956 5.0176  179.763 5.1726  6.192642       7.206394 
1 1 1 -13 -13 16 f 106.609 2.4161  1525.57   68.989    1541.96   98.124    1509.56   97.014    107.175 3.4182  106.043 3.4156  1.131882       4.832188 
1 1 1 -13 -13 17 o 171.244 3.4480  3946.92   158.150   3977.11   224.345   3917.08   222.975   171.896 4.8726  170.592 4.8799  1.303452       6.896066 
1 1 1 -13 -13 18 o 161.742 3.2708  3520.11   141.692   3568.28   201.220   3472.74   199.555   162.841 4.6134  160.642 4.6378  2.198975       6.541591 
1 1 1 -13 -13 19 o 65.400  1.9690  573.732   34.478    579.324   49.562    568.489   47.995    65.708  2.8161  65.093  2.7528  0.6146088      3.938015 
1 1 1 -13 -13 20 o 74.271  2.0614  740.099   40.990    750.093   58.990    730.767   57.000    74.754  2.9461  73.788  2.8840  0.9657898      4.122804 
1 1 1 -13 -13 21 o 114.483 2.5319  1762.45   77.611    1732.42   110.636   1791.55   108.902   113.516 3.6388  115.451 3.5217  -1.934906      5.063877 
1 1 1 -13 -13 22 o 131.705 2.8764  2336.19   101.452   2302.95   144.124   2368.84   142.835   130.768 4.1148  132.642 4.0203  -1.874191      5.752796 
1 1 1 -13 -13 23 o 62.487  2.0496  526.983   34.125    490.396   49.085    561.206   47.474    60.331  3.0474  64.643  2.7418  -4.311672      4.099296 
1 1 1 -13 -13 24 o 68.822  2.0777  636.396   38.291    650.221   54.820    623.226   53.508    69.551  2.9427  68.092  2.9338  1.458351       4.155309 
1 1 1 -13 -13 25 o 14.065  3.0895  26.520    12.944    22.463    18.436    30.464    18.177    13.265  4.4251  14.866  4.3125  -1.600462      6.178935 
1 1 1 -13 -13 26 o 28.185  2.2803  108.578   16.836    118.929   23.886    98.357    23.735    29.565  3.0605  26.805  3.3811  2.760166       4.560522 
1 1 1 -13 -13 27 o 63.386  2.0720  542.155   35.110    510.973   50.117    572.208   49.202    61.579  3.0385  65.193  2.8177  -3.613392      4.143917 
1 1 1 -13 -13 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -13 29 o 33.056  2.2754  149.314   19.853    157.051   27.859    141.330   28.299    33.958  3.0970  32.154  3.3343  1.803757       4.550714 
1 1 1 -13 -13 30 o 50.335  2.1009  343.698   28.193    336.319   39.890    351.063   39.852    49.786  3.0054  50.884  2.9365  -1.098129      4.201841 
1 1 1 -13 -13 31 o 24.008  2.5951  80.105    16.125    87.213    23.137    73.392    22.486    25.094  3.5407  22.923  3.7950  2.171003       5.190279 
1 1 1 -13 -13 32 o 72.986  2.2537  723.678   44.025    749.750   61.962    697.097   62.564    74.338  3.1119  71.635  3.2607  2.702995       4.507337 
1 1 1 -13 -13 33 o 39.843  2.2575  217.041   23.866    204.783   33.364    229.888   34.154    38.669  3.2514  41.017  3.1325  -2.348064      4.514915 
1 1 1 -13 -13 34 o 45.071  2.2588  278.495   27.039    288.234   37.564    268.024   38.951    45.931  3.0711  44.212  3.3133  1.718826       4.517646 
1 1 1 -13 -13 35 o 17.512  3.1921  43.481    15.583    27.734    21.439    61.116    22.688    14.364  4.7710  20.659  4.2421  -6.294858      6.384190 
1 1 1 -13 -13 36 o 25.886  2.8406  94.805    19.048    91.360    26.522    98.476    27.374    25.384  4.0359  26.387  3.9983  -1.002810      5.681154 
1 1 1 -13 -13 37 o 57.044  2.3711  450.284   36.007    457.475   49.793    442.402   52.132    57.581  3.2416  56.506  3.4611  1.075050       4.742106 
1 1 1 -13 -13 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -13 39 o 35.471  2.5318  187.729   21.870    142.885   35.366    215.496   27.829    31.402  4.3191  39.541  2.6428  -8.139921      5.063531 
1 1 1 -13 -13 40 o 18.403  3.1958  50.039    14.935    53.487    26.173    48.374    18.187    18.661  5.0938  18.145  3.8607  0.5162239      6.391549 
1 1 1 -13 -13 41 o 10.429  2.9249  9.1012    11.433    15.649    20.470    6.1329    13.783    11.809  4.5611  9.0492  3.6628  2.759613       5.849795 
1 1 1 -13 -13 42 f 13.431  3.3655  23.035    14.238    34.375    25.781    18.059    17.079    15.147  5.2300  11.715  4.2371  3.432734       6.730961 
1 1 1 -13 -13 43 f 9.5426  2.8679  -5.3639   12.303    19.318    22.789    -15.5171  14.616    12.519  4.8190  6.5657  3.1108  5.953716       5.735868 
1 1 1 -13 -13 44 f 22.274  3.3630  82.594    18.369    64.287    32.516    91.175    22.262    19.541  5.7959  25.007  3.4127  -5.466438      6.725974 
1 1 1 -13 -13 45 o 15.721  3.6042  40.296    16.940    35.074    30.601    42.603    20.342    15.061  5.6323  16.382  4.4985  -1.321202      7.208307 
1 1 1 -13 -13 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -12 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -12 2  o 96.426  3.0470  1281.05   71.750    1175.64   128.444   1328.87   86.505    93.333  5.1580  99.519  3.2452  -6.186134      6.093922 
1 1 1 -13 -12 3  o 87.951  2.1779  1037.66   51.306    1042.07   72.660    1033.27   72.455    88.137  3.0778  87.764  3.0822  0.3734055      4.355815 
1 1 1 -13 -12 4  o 145.494 3.0155  2844.01   117.502   2902.25   166.495   2786.23   165.852   146.982 4.2291  144.007 4.2998  2.975464       6.031045 
1 1 1 -13 -12 5  o 81.722  2.0939  896.145   45.812    923.008   64.573    868.922   65.005    82.958  2.9060  80.486  3.0153  2.471748       4.187771 
1 1 1 -13 -12 6  o 76.481  2.0305  785.474   41.541    819.252   58.222    750.447   59.289    78.161  2.7810  74.800  2.9592  3.360725       4.060949 
1 1 1 -13 -12 7  o 79.667  2.0672  850.796   44.053    791.831   61.528    912.820   63.104    76.834  2.9897  82.501  2.8557  -5.666954      4.134399 
1 1 1 -13 -12 8  o 290.955 5.4710  11455.42  426.260   11146.48  602.075   11765.90  603.573   286.985 7.8325  294.926 7.6406  -7.940796      10.94202 
1 1 1 -13 -12 9  o 150.524 3.0381  3043.89   122.479   2991.54   172.569   3097.03   173.860   149.218 4.3177  151.831 4.2751  -2.612900      6.076143 
1 1 1 -13 -12 10 o 84.023  2.0755  946.871   46.701    945.681   65.409    948.108   66.701    83.970  2.9082  84.076  2.9619  -0.1053696     4.150959 
1 1 1 -13 -12 11 o 63.805  1.8588  545.941   31.759    548.973   44.478    542.787   45.364    63.987  2.5952  63.623  2.6620  0.3634720      3.717655 
1 1 1 -13 -12 12 o 58.451  2.5241  459.058   39.249    478.751   57.762    442.166   53.496    59.610  3.6351  57.291  3.5029  2.318890       5.048189 
1 1 1 -13 -12 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -12 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -12 15 o 83.463  2.7066  953.513   55.872    983.031   67.907    891.654   98.303    85.606  2.9615  81.319  4.5312  4.287895       5.413210 
1 1 1 -13 -12 16 o 88.962  2.2038  1062.24   52.488    1046.13   75.038    1077.67   73.445    88.299  3.1728  89.626  3.0594  -1.327179      4.407555 
1 1 1 -13 -12 17 o 40.030  1.8493  215.211   19.620    246.140   28.533    187.471   27.022    42.772  2.5015  37.288  2.7244  5.483570       3.698649 
1 1 1 -13 -12 18 o 59.117  1.9458  470.916   30.646    442.084   44.291    497.400   42.449    57.333  2.8935  60.901  2.6023  -3.568211      3.891579 
1 1 1 -13 -12 19 o 139.126 2.9049  2601.53   108.243   2612.38   154.130   2590.97   152.048   139.410 4.1277  138.842 4.0886  0.5678253      5.809834 
1 1 1 -13 -12 20 o 166.635 3.3514  3737.83   149.565   3820.67   212.448   3656.42   210.598   168.471 4.7080  164.798 4.7710  3.672379       6.702858 
1 1 1 -13 -12 21 o 48.942  1.9455  322.187   25.373    327.275   36.863    317.608   34.977    49.305  2.8029  48.579  2.6987  0.7266808      3.890927 
1 1 1 -13 -12 22 o 79.434  2.1810  847.782   46.375    830.935   66.328    863.894   64.866    78.657  3.1483  80.211  3.0192  -1.553917      4.362007 
1 1 1 -13 -12 23 f 129.546 2.8387  2260.20   98.465    2204.53   139.824   2314.97   138.685   127.952 4.0799  131.141 3.9482  -3.188248      5.677476 
1 1 1 -13 -12 24 o 46.037  2.0284  285.637   24.875    290.837   35.869    280.819   34.527    46.438  2.8982  45.635  2.8388  0.8032990      4.056885 
1 1 1 -13 -12 25 o 65.562  2.0652  577.517   36.257    589.797   51.978    565.880   50.600    66.240  2.9296  64.884  2.9115  1.355476       4.130322 
1 1 1 -13 -12 26 o 14.438  3.0118  27.141    13.338    12.182    18.702    42.626    19.028    11.455  4.3761  17.420  4.1392  -5.964699      6.023612 
1 1 1 -13 -12 27 f 115.875 2.6859  1813.74   83.348    1855.13   117.967   1772.49   117.777   117.205 3.7577  114.544 3.8388  2.661087       5.371880 
1 1 1 -13 -12 28 o 40.805  2.0681  225.570   22.431    214.031   31.673    237.180   31.771    39.741  2.9976  41.868  2.8500  -2.127754      4.136186 
1 1 1 -13 -12 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -12 30 o 16.513  3.0721  38.583    13.763    39.833    18.889    37.168    20.095    16.778  4.2101  16.247  4.4750  0.5303860      6.144157 
1 1 1 -13 -12 31 o 52.644  2.1378  376.744   29.961    399.746   42.188    353.339   42.556    54.298  2.9114  50.989  3.1311  3.308575       4.275520 
1 1 1 -13 -12 32 f 151.504 3.3163  3161.80   134.536   3215.14   189.153   3107.20   191.392   152.859 4.6199  150.149 4.7590  2.710175       6.632583 
1 1 1 -13 -12 33 o 36.479  2.2691  182.359   21.913    186.891   30.459    177.496   31.548    36.978  3.1040  35.980  3.3108  0.9981499      4.538285 
1 1 1 -13 -12 34 o 51.733  2.1991  364.963   30.318    355.876   42.134    374.721   43.660    51.069  3.0949  52.398  3.1251  -1.329735      4.398198 
1 1 1 -13 -12 35 o 83.093  2.4209  945.604   53.811    979.707   75.214    909.843   77.020    84.684  3.3159  81.503  3.5281  3.181160       4.841791 
1 1 1 -13 -12 36 o 13.821  3.3976  24.551    15.534    29.135    21.235    19.274    22.783    14.574  4.7438  13.068  4.8653  1.505627       6.795160 
1 1 1 -13 -12 37 o 19.152  2.8717  51.113    13.743    59.294    23.464    46.842    16.955    20.191  4.4580  18.114  3.6212  2.076645       5.743384 
1 1 1 -13 -12 38 o 18.983  2.9332  51.012    14.187    59.418    23.093    45.916    17.981    20.153  4.4014  17.814  3.8785  2.338812       5.866420 
1 1 1 -13 -12 39 o 13.029  3.3665  19.818    15.065    28.387    24.218    14.410    19.240    14.464  5.0647  11.594  4.4364  2.869234       6.732969 
1 1 1 -13 -12 40 o 12.522  2.9176  21.836    12.972    -5.1283   23.403    33.794    15.585    9.8875  4.3975  15.157  3.8357  -5.269804      5.835275 
1 1 1 -13 -12 41 o 7.8013  2.5222  -7.9019   11.372    -20.6486  20.814    -2.4778   13.577    7.9065  3.7359  7.6962  3.3896  0.2102823      5.044453 
1 1 1 -13 -12 42 o 11.725  2.7703  15.072    13.525    -28.3731  23.940    35.437    16.391    8.0940  3.8756  15.355  3.9597  -7.261198      5.540671 
1 1 1 -13 -12 43 o 29.471  2.8597  130.295   20.681    123.670   34.792    133.915   25.718    28.345  4.7506  30.597  3.1848  -2.252058      5.719408 
1 1 1 -13 -12 44 o 34.016  2.6028  163.699   22.626    193.482   37.912    147.224   28.198    36.110  3.9862  31.922  3.3477  4.187765       5.205529 
1 1 1 -13 -12 45 o 11.789  3.3119  12.929    13.995    27.048    27.574    8.0291    16.243    13.854  5.3086  9.7250  3.9615  4.128953       6.623847 
1 1 1 -13 -12 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -11 1  o 93.088  2.2584  1164.04   56.214    1088.35   79.638    1239.19   79.361    90.063  3.3013  96.113  3.0827  -6.050362      4.516851 
1 1 1 -13 -11 2  o 120.352 2.6439  1944.56   85.226    1934.29   120.858   1954.72   120.202   120.034 3.7591  120.669 3.7190  -0.6354065     5.287867 
1 1 1 -13 -11 3  o 142.413 2.9502  2724.23   112.536   2723.06   159.441   2725.39   158.861   142.382 4.1808  142.445 4.1637  -0.6277466E-01 5.900477 
1 1 1 -13 -11 4  o 251.937 4.7488  8566.20   320.372   8803.43   453.582   8330.04   452.569   255.443 6.6294  248.432 6.8012  7.010986       9.497661 
1 1 1 -13 -11 5  o 106.322 2.4082  1516.83   68.581    1509.88   96.772    1523.84   97.206    106.077 3.4059  106.566 3.4055  -0.4890823     4.816438 
1 1 1 -13 -11 6  o 171.190 3.4115  3940.25   156.416   3987.81   220.939   3892.46   221.473   172.230 4.7893  170.149 4.8596  2.080917       6.822994 
1 1 1 -13 -11 7  o 63.314  1.8468  537.027   31.307    519.568   43.576    555.652   45.009    62.251  2.6134  64.376  2.6102  -2.125458      3.693690 
1 1 1 -13 -11 8  f 199.888 3.8893  5377.82   208.228   5351.87   293.899   5403.97   295.062   199.403 5.5027  200.372 5.4978  -0.9690247     7.778511 
1 1 1 -13 -11 9  o 253.492 4.8281  8672.66   327.806   8594.46   462.961   8751.28   464.217   252.340 6.8497  254.645 6.8061  -2.304413      9.656123 
1 1 1 -13 -11 10 o 205.969 3.9613  5711.61   218.505   5584.50   308.393   5839.75   309.638   203.658 5.6535  208.280 5.5503  -4.622421      7.922587 
1 1 1 -13 -11 11 o 89.293  2.1260  1069.69   50.835    1091.97   71.666    1047.13   72.118    90.231  2.9653  88.355  3.0474  1.875679       4.252020 
1 1 1 -13 -11 12 o 209.894 4.0709  5933.98   228.837   5818.82   323.469   6049.36   323.780   207.844 5.8104  211.944 5.7035  -4.099564      8.141879 
1 1 1 -13 -11 13 o 165.842 3.3067  3698.50   146.822   3576.57   207.764   3820.13   207.511   163.100 4.7558  168.584 4.5955  -5.483780      6.613376 
1 1 1 -13 -11 14 o 25.883  1.9736  90.559    13.440    97.060    19.718    84.917    18.369    26.758  2.7924  25.009  2.7898  1.748907       3.947144 
1 1 1 -13 -11 15 o 93.605  3.1630  1185.85   78.668    1091.60   114.523   1270.05   108.248   89.976  4.7690  97.233  4.1564  -7.257477      6.326066 
1 1 1 -13 -11 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -11 17 o 93.482  2.8009  1166.92   65.977    1153.85   80.424    1193.82   115.376   92.731  3.2380  94.233  4.5711  -1.502007      5.601746 
1 1 1 -13 -11 18 o 104.792 2.3989  1473.22   67.315    1519.06   96.297    1429.43   94.135    106.386 3.3794  103.198 3.4056  3.188187       4.797725 
1 1 1 -13 -11 19 o 112.613 2.6003  1705.05   78.334    1623.65   111.576   1784.16   110.003   109.950 3.7887  115.276 3.5627  -5.325676      5.200632 
1 1 1 -13 -11 20 o 113.532 2.5833  1731.09   78.548    1732.45   111.892   1729.77   110.291   113.574 3.6782  113.490 3.6282  0.8363342E-01  5.166525 
1 1 1 -13 -11 21 o 124.191 2.7681  2074.22   92.018    2002.95   130.845   2143.96   129.434   122.069 4.0018  126.313 3.8257  -4.243965      5.536296 
1 1 1 -13 -11 22 o 106.424 2.5570  1522.45   72.859    1491.08   103.750   1552.96   102.342   105.336 3.6772  107.511 3.5539  -2.175804      5.113961 
1 1 1 -13 -11 23 o 60.264  2.0253  487.869   32.667    475.865   46.725    499.346   45.689    59.535  2.9301  60.993  2.7967  -1.457882      4.050550 
1 1 1 -13 -11 24 o 101.116 2.4333  1374.68   65.890    1410.33   93.542    1339.56   92.828    102.421 3.4098  99.811  3.4723  2.609978       4.866553 
1 1 1 -13 -11 25 f 84.676  2.2815  964.061   51.744    973.471   73.456    954.793   72.900    85.086  3.2232  84.265  3.2299  0.8209610      4.563009 
1 1 1 -13 -11 26 o 85.160  2.2878  975.893   52.177    995.866   73.883    956.021   73.696    86.033  3.2062  84.287  3.2643  1.745773       4.575547 
1 1 1 -13 -11 27 o 51.596  2.0822  359.231   28.645    373.559   40.857    345.380   40.172    52.616  2.9104  50.577  2.9785  2.039078       4.164415 
1 1 1 -13 -11 28 o 119.799 2.7684  1940.93   88.826    1949.49   125.088   1932.21   126.159   120.073 3.8894  119.525 3.9407  0.5484161      5.536784 
1 1 1 -13 -11 29 o 70.628  3.1266  673.052   59.147    0.0000    0.0000    673.052   59.147    ?       ?       70.628  3.1266  ?              ?        
1 1 1 -13 -11 30 o 53.506  2.9570  387.611   42.214    387.611   42.214    0.0000    0.0000    53.506  2.9570  ?       ?       ?              ?        
1 1 1 -13 -11 31 o 18.225  3.0361  47.718    14.668    55.943    20.096    38.343    21.457    19.946  3.9013  16.503  4.6532  3.443119       6.072294 
1 1 1 -13 -11 32 o 15.471  3.0561  33.983    13.455    42.229    18.360    24.418    19.775    17.248  4.0443  13.694  4.5830  3.554250       6.112295 
1 1 1 -13 -11 33 f 86.603  2.4338  1021.72   56.403    1048.60   78.786    993.461   80.782    87.810  3.3498  85.397  3.5317  2.412605       4.867648 
1 1 1 -13 -11 34 o 40.616  2.2555  225.872   24.316    230.277   33.876    221.190   34.926    41.050  3.1039  40.182  3.2735  0.8680496      4.511080 
1 1 1 -13 -11 35 o 76.317  2.2202  794.546   45.157    782.467   67.005    804.596   61.123    75.715  3.3040  76.919  2.9668  -1.203362      4.440472 
1 1 1 -13 -11 36 o 10.833  2.7671  13.856    10.437    5.3433    17.799    18.317    12.885    10.054  4.1271  11.612  3.6871  -1.557799      5.534276 
1 1 1 -13 -11 37 o 30.828  2.2662  131.498   17.896    132.356   28.945    130.967   22.769    30.785  3.5770  30.870  2.7837  -0.8508301E-01 4.532486 
1 1 1 -13 -11 38 o 58.984  2.1776  480.116   33.948    470.755   51.614    487.253   45.068    58.310  3.3185  59.657  2.8204  -1.347332      4.355137 
1 1 1 -13 -11 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -11 40 o 13.910  3.1967  24.692    13.521    40.018    22.509    16.040    16.912    16.349  4.8152  11.471  4.2059  4.877887       6.393462 
1 1 1 -13 -11 41 o 17.756  3.2558  49.617    15.267    40.205    26.766    54.155    18.587    16.291  5.3270  19.220  3.7450  -2.928682      6.511671 
1 1 1 -13 -11 42 o 21.161  3.1036  62.879    16.238    85.878    28.752    52.108    19.676    23.687  4.6977  18.635  4.0571  5.052097       6.207125 
1 1 1 -13 -11 43 o 22.494  3.1416  74.392    17.670    89.205    29.791    66.351    21.948    23.967  4.8080  21.021  4.0449  2.946285       6.283170 
1 1 1 -13 -11 44 o 19.637  3.4558  58.279    17.398    72.588    29.952    50.994    21.373    21.152  5.2980  18.122  4.4385  3.030237       6.911552 
1 1 1 -13 -11 45 o 22.043  3.5369  83.637    19.797    62.083    34.435    94.278    24.196    18.909  6.0301  25.178  3.6981  -6.268906      7.073722 
1 1 1 -13 -11 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -11 47 o 15.094  3.6037  31.600    16.690    64.465    30.663    17.763    19.896    18.709  5.6464  11.480  4.4792  7.228793       7.207353 
1 1 1 -13 -10 1  o 222.495 4.3697  6680.38   259.935   6220.54   367.751   7139.48   367.456   214.784 6.3924  230.205 5.9594  -15.42087      8.739376 
1 1 1 -13 -10 2  o 41.315  1.7358  229.655   19.119    226.593   27.091    232.693   26.986    41.038  2.4763  41.592  2.4330  -0.5540047     3.471502 
1 1 1 -13 -10 3  o 91.038  2.1884  1111.84   53.352    1087.35   75.492    1136.28   75.410    90.035  3.1304  92.042  3.0588  -2.007011      4.376771 
1 1 1 -13 -10 4  o 73.117  1.9718  717.145   38.600    736.851   54.402    697.166   54.777    74.131  2.7399  72.104  2.8363  2.026970       3.943540 
1 1 1 -13 -10 5  o 113.936 2.4888  1742.29   75.936    1779.29   107.157   1704.96   107.624   115.154 3.4742  112.717 3.5647  2.436653       4.977691 
1 1 1 -13 -10 6  o 148.079 3.0031  2944.96   119.109   2946.41   168.012   2943.49   168.883   148.117 4.2349  148.041 4.2591  0.7591248E-01  6.006204 
1 1 1 -13 -10 7  o 175.626 3.4782  4148.30   163.447   3915.12   230.384   4384.60   231.920   170.638 5.0407  180.614 4.7940  -9.975861      6.956340 
1 1 1 -13 -10 8  o 179.559 3.5204  4335.13   169.301   4382.13   238.908   4287.71   239.951   180.542 4.9404  178.576 5.0166  1.966202       7.040879 
1 1 1 -13 -10 9  o 236.626 4.5110  7547.39   285.866   7392.07   403.648   7703.69   404.908   234.170 6.4355  239.082 6.3229  -4.911957      9.021935 
1 1 1 -13 -10 10 o 184.285 3.6169  4567.28   178.528   4581.16   252.168   4553.34   252.786   184.568 5.1009  184.002 5.1291  0.5655365      7.233718 
1 1 1 -13 -10 11 o 229.546 4.3991  7101.06   270.468   7151.49   382.453   7050.59   382.545   230.367 6.1983  228.725 6.2442  1.641464       8.798223 
1 1 1 -13 -10 12 o 49.430  1.7120  327.508   22.663    329.201   32.392    325.885   31.720    49.555  2.4404  49.306  2.4018  0.2494812      3.424097 
1 1 1 -13 -10 13 f 62.104  1.8240  517.338   30.324    509.510   43.453    524.768   42.336    61.645  2.6317  62.564  2.5264  -0.9190636     3.648101 
1 1 1 -13 -10 14 o 94.217  2.2172  1190.92   55.943    1185.78   79.799    1195.88   78.450    94.016  3.1689  94.419  3.1020  -0.4029236     4.434454 
1 1 1 -13 -10 15 f 63.661  1.8493  542.712   31.511    571.031   45.437    516.472   43.737    65.260  2.5994  62.063  2.6310  3.196732       3.698576 
1 1 1 -13 -10 16 o 79.269  2.0324  842.477   43.134    851.794   62.046    833.763   60.005    79.692  2.9068  78.846  2.8413  0.8453751      4.064777 
1 1 1 -13 -10 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -10 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -10 19 o 112.337 2.5450  1694.51   76.563    1677.91   109.056   1710.65   107.513   111.791 3.6421  112.883 3.5558  -1.092010      5.090081 
1 1 1 -13 -10 20 o 149.395 3.1246  3000.56   125.029   3018.14   177.565   2983.28   176.081   149.828 4.4246  148.962 4.4131  0.8663330      6.249229 
1 1 1 -13 -10 21 o 54.929  1.9665  405.605   28.851    396.591   41.419    414.101   40.212    54.296  2.8581  55.563  2.7020  -1.267384      3.933099 
1 1 1 -13 -10 22 o 133.207 2.8666  2385.40   102.274   2414.14   145.085   2357.00   144.193   134.007 4.0421  132.408 4.0657  1.598389       5.733133 
1 1 1 -13 -10 23 o 126.860 2.7962  2164.14   95.008    2187.97   134.496   2140.41   134.228   127.560 3.9365  126.161 3.9722  1.398499       5.592304 
1 1 1 -13 -10 24 o 121.531 2.7408  1987.00   89.219    1987.52   126.193   1986.48   126.157   121.547 3.8762  121.516 3.8761  0.3155518E-01  5.481648 
1 1 1 -13 -10 25 o 81.050  2.2269  883.081   48.332    898.212   67.990    867.624   68.720    81.757  3.1048  80.344  3.1933  1.412025       4.453845 
1 1 1 -13 -10 26 o 48.986  2.0883  323.673   27.271    321.675   38.412    325.704   38.725    48.833  2.9505  49.139  2.9560  -0.3053665     4.176570 
1 1 1 -13 -10 27 o 44.507  2.1089  267.624   24.994    269.942   35.342    265.306   35.352    44.702  2.9686  44.311  2.9962  0.3909264      4.217735 
1 1 1 -13 -10 28 o 27.408  2.3101  102.634   16.621    100.214   23.405    105.095   23.608    27.073  3.2957  27.743  3.2379  -0.6704082     4.620106 
1 1 1 -13 -10 29 o 40.930  2.0986  227.001   22.776    204.795   31.872    250.177   32.561    38.854  3.0880  43.006  2.8427  -4.151917      4.197252 
1 1 1 -13 -10 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -10 31 o 44.336  2.1536  267.651   25.343    285.224   35.435    249.250   36.261    45.865  2.8994  42.807  3.1853  3.058300       4.307287 
1 1 1 -13 -10 32 o 38.902  2.2048  206.290   22.665    181.350   31.585    232.768   32.544    36.428  3.2719  41.375  2.9560  -4.947186      4.409502 
1 1 1 -13 -10 33 o 22.764  2.7616  72.659    16.227    71.708    22.622    73.668    23.289    22.614  3.8741  22.913  3.9366  -0.2989902     5.523170 
1 1 1 -13 -10 34 o 37.211  2.1660  196.706   20.451    152.260   31.206    230.166   27.076    33.225  3.5622  41.197  2.4650  -7.972790      4.331904 
1 1 1 -13 -10 35 o 10.682  2.7035  7.8092    10.032    25.996    17.528    -1.0497   12.234    13.741  4.2920  7.6219  3.2885  6.119497       5.406989 
1 1 1 -13 -10 36 o 46.762  2.1236  303.471   25.856    275.483   39.876    323.776   33.964    44.746  3.3514  48.777  2.6091  -4.030960      4.247292 
1 1 1 -13 -10 37 o 23.046  2.5706  69.401    14.791    102.983   24.972    51.252    18.358    27.140  3.5179  18.953  3.7491  8.187605       5.141146 
1 1 1 -13 -10 38 o 43.203  2.1641  254.917   24.568    273.649   38.389    241.923   31.973    44.461  3.2460  41.945  2.8630  2.516018       4.328189 
1 1 1 -13 -10 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -10 40 o 8.4013  2.5193  -16.9698  10.803    16.897    18.536    -34.3923  13.295    11.861  4.3938  4.9417  2.4663  6.919230       5.038684 
1 1 1 -13 -10 41 o 19.795  3.2067  59.004    16.223    59.848    26.637    58.507    20.453    19.681  5.0331  19.909  3.9748  -0.2277317     6.413375 
1 1 1 -13 -10 42 o 44.993  2.3055  279.154   27.137    333.819   43.493    244.306   34.725    48.424  3.3744  41.562  3.1425  6.861336       4.611053 
1 1 1 -13 -10 43 o 14.643  3.3041  33.030    14.374    26.794    25.507    35.931    17.399    13.914  5.1543  15.372  4.1354  -1.457718      6.608175 
1 1 1 -13 -10 44 o 20.622  3.3283  74.005    17.970    42.391    30.920    90.129    22.082    16.346  5.7228  24.898  3.4000  -8.551414      6.656653 
1 1 1 -13 -10 45 o 30.262  2.9920  139.166   22.410    138.666   37.526    139.443   27.939    29.623  4.9008  30.901  3.4337  -1.277628      5.984018 
1 1 1 -13 -10 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -10 47 o 17.704  3.7594  53.402    18.417    65.053    32.107    47.690    22.483    18.658  5.8058  16.749  4.7774  1.908701       7.518721 
1 1 1 -13 -9  1  o 132.847 2.7850  2370.51   99.038    2284.09   140.387   2456.14   139.738   130.429 4.0185  135.265 3.8569  -4.836411      5.569923 
1 1 1 -13 -9  2  o 83.849  2.0828  942.830   46.777    943.794   66.323    941.875   65.984    83.891  2.9516  83.806  2.9395  0.8483124E-01  4.165657 
1 1 1 -13 -9  3  o 189.658 3.7000  4837.33   187.956   4823.27   266.034   4851.35   265.587   189.381 5.2446  189.935 5.2205  -0.5539551     7.399955 
1 1 1 -13 -9  4  o 50.521  1.7324  342.039   23.438    337.658   32.747    346.640   33.560    50.190  2.4359  50.853  2.4639  -0.6626663     3.464723 
1 1 1 -13 -9  5  o 122.116 2.6072  2001.31   85.272    2019.80   120.213   1982.58   120.977   122.686 3.6582  121.547 3.7160  1.139420       5.214486 
1 1 1 -13 -9  6  o 206.674 4.0026  5747.29   221.573   5711.56   312.809   5783.26   313.897   206.028 5.6684  207.319 5.6527  -1.291763      8.005280 
1 1 1 -13 -9  7  o 83.825  2.0324  942.904   45.597    969.674   63.869    915.078   65.117    85.042  2.8040  82.608  2.9429  2.433594       4.064860 
1 1 1 -13 -9  8  o 189.807 3.7015  4845.65   188.122   4975.79   265.615   4714.65   266.476   192.377 5.1548  187.238 5.3134  5.138962       7.403004 
1 1 1 -13 -9  9  o 345.545 6.4737  16190.39  599.149   16314.64  847.015   16065.96  847.634   346.890 9.1161  344.200 9.1941  2.690002       12.94740 
1 1 1 -13 -9  10 o 65.485  1.8424  574.894   32.315    576.314   45.637    573.467   45.764    65.566  2.5986  65.404  2.6124  0.1625061      3.684755 
1 1 1 -13 -9  11 o 221.034 4.1883  6578.25   247.958   6617.44   350.929   6539.17   350.403   221.694 5.9099  220.374 5.9364  1.320206       8.376555 
1 1 1 -13 -9  12 o 120.257 2.5614  1941.20   82.485    1906.28   117.117   1975.57   116.192   119.181 3.6688  121.334 3.5753  -2.153206      5.122751 
1 1 1 -13 -9  13 o 96.076  2.2175  1237.97   57.059    1249.88   81.439    1226.48   79.969    96.529  3.1498  95.623  3.1223  0.9065857      4.435061 
1 1 1 -13 -9  14 o 113.444 2.4968  1727.26   75.850    1718.06   108.252   1736.14   106.311   113.145 3.5720  113.744 3.4895  -0.5991974     4.993569 
1 1 1 -13 -9  15 o 90.672  2.1867  1102.84   53.087    1102.08   76.125    1103.56   74.069    90.639  3.1356  90.704  3.0488  -0.6480408E-01 4.373440 
1 1 1 -13 -9  16 o 72.777  2.0035  710.969   39.007    695.140   56.210    725.672   54.174    71.993  2.9150  73.562  2.7494  -1.569969      4.007080 
1 1 1 -13 -9  17 f 94.224  2.2747  1191.71   57.378    1170.13   81.989    1212.43   80.325    93.384  3.2779  95.064  3.1546  -1.679382      4.549311 
1 1 1 -13 -9  18 o 31.519  3.8290  135.348   31.661    0.0000    0.0000    135.348   31.661    ?       ?       31.519  3.8290  ?              ?        
1 1 1 -13 -9  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -9  20 o 100.618 2.4106  1359.07   64.953    1345.02   92.469    1372.76   91.257    100.102 3.4488  101.134 3.3688  -1.032249      4.821111 
1 1 1 -13 -9  21 o 121.895 2.7296  1996.18   89.106    1959.41   126.212   2032.71   125.818   120.772 3.9016  123.018 3.8184  -2.246223      5.459249 
1 1 1 -13 -9  22 o 167.687 3.4187  3785.08   153.549   3782.20   217.096   3787.96   217.207   167.623 4.8354  167.751 4.8341  -0.1278992     6.837368 
1 1 1 -13 -9  23 o 13.466  2.8977  22.259    12.711    39.185    17.795    4.6247    18.164    16.739  4.0196  10.193  4.1748  6.546679       5.795402 
1 1 1 -13 -9  24 o 63.513  2.0857  541.518   35.462    517.996   49.853    565.612   50.455    62.115  2.9965  64.912  2.9019  -2.797119      4.171331 
1 1 1 -13 -9  25 o 50.283  2.0174  340.647   27.054    344.307   38.047    336.904   38.478    50.561  2.8207  50.006  2.8850  0.5547867      4.034819 
1 1 1 -13 -9  26 o 69.734  2.1411  654.403   39.930    691.907   56.238    616.274   56.705    71.760  2.9259  67.709  3.1267  4.051308       4.282190 
1 1 1 -13 -9  27 f 54.275  2.1118  398.022   30.524    417.398   42.661    377.699   43.691    55.649  2.8719  52.901  3.0970  2.748299       4.223650 
1 1 1 -13 -9  28 o 66.153  2.1426  589.272   37.938    596.350   52.870    581.759   54.470    66.570  2.9651  65.737  3.0936  0.8333664      4.285106 
1 1 1 -13 -9  29 o 37.807  2.1248  193.820   21.320    195.055   29.586    192.486   30.749    37.944  2.9339  37.670  3.0743  0.2733192      4.249560 
1 1 1 -13 -9  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -9  31 o 63.060  2.1960  538.770   36.966    550.311   51.226    526.230   53.397    63.826  2.9964  62.294  3.2112  1.532013       4.392075 
1 1 1 -13 -9  32 o 38.370  1.9998  200.770   20.139    195.020   30.803    205.064   26.616    37.838  3.0656  38.902  2.5689  -1.063602      3.999644 
1 1 1 -13 -9  33 o 13.280  2.8196  24.635    10.743    20.961    17.537    26.842    13.592    12.768  4.3157  13.791  3.6299  -1.022873      5.639269 
1 1 1 -13 -9  34 o 68.973  2.1205  644.715   38.989    653.552   58.192    637.516   52.521    69.360  3.1323  68.585  2.8590  0.7750626      4.240905 
1 1 1 -13 -9  35 o 27.708  2.2811  106.715   16.124    102.318   25.679    109.577   20.718    27.122  3.6256  28.294  2.7693  -1.172415      4.562194 
1 1 1 -13 -9  36 o 13.900  2.9768  25.794    11.836    33.550    19.160    21.008    15.052    15.352  4.4201  12.447  3.9885  2.905179       5.953651 
1 1 1 -13 -9  37 o 15.323  3.0319  31.042    12.686    45.594    21.318    23.062    15.786    17.719  4.4870  12.927  4.0786  4.792135       6.063703 
1 1 1 -13 -9  38 o 37.147  2.1996  189.021   21.269    199.790   33.875    182.014   27.327    37.917  3.3707  36.377  2.8269  1.540146       4.399183 
1 1 1 -13 -9  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -9  40 o 29.587  2.5196  122.796   19.153    131.817   30.739    117.071   24.487    30.325  3.8729  28.849  3.2241  1.476259       5.039284 
1 1 1 -13 -9  41 o 26.067  2.7467  96.442    18.225    110.575   29.472    87.691    23.191    27.470  4.1336  24.663  3.6183  2.807131       5.493467 
1 1 1 -13 -9  42 o 40.735  2.3571  231.125   24.950    260.751   40.451    212.933   31.698    42.628  3.5758  38.841  3.0720  3.786900       4.714189 
1 1 1 -13 -9  43 o 30.117  2.6972  126.321   20.566    160.435   34.991    108.318   25.420    32.938  4.0516  27.297  3.5616  5.640688       5.394451 
1 1 1 -13 -9  44 o 17.540  3.4085  52.641    17.477    26.775    30.449    65.349    21.342    14.229  5.5443  20.851  3.9664  -6.621639      6.816984 
1 1 1 -13 -9  45 o 15.895  3.6314  39.361    16.763    44.300    29.968    37.112    20.223    16.438  5.6408  15.352  4.5748  1.085171       7.262733 
1 1 1 -13 -9  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -9  47 o 20.816  3.6550  72.195    19.322    86.489    34.019    65.388    23.477    21.705  5.7572  19.926  4.5044  1.778118       7.309984 
1 1 1 -13 -8  1  o 207.216 4.0097  5778.53   222.499   5651.90   315.024   5904.57   314.301   204.939 5.7389  209.493 5.6013  -4.554550      8.019317 
1 1 1 -13 -8  2  o 100.632 2.3247  1358.38   62.658    1343.55   88.707    1373.15   88.516    100.083 3.3091  101.181 3.2661  -1.098381      4.649481 
1 1 1 -13 -8  3  o 65.323  1.8698  572.076   32.692    544.231   45.998    600.496   46.472    63.715  2.6953  66.930  2.5922  -3.215122      3.739570 
1 1 1 -13 -8  4  o 246.808 4.7473  8208.40   313.825   8271.21   443.731   8145.55   443.899   247.758 6.6866  245.857 6.7408  1.901398       9.494666 
1 1 1 -13 -8  5  o 85.174  2.0774  972.649   47.389    969.112   66.479    976.304   67.570    85.017  2.9194  85.331  2.9564  -0.3136063     4.154879 
1 1 1 -13 -8  6  o 275.123 5.1745  10210.42  381.286   10056.87  538.546   10364.74  539.898   273.036 7.3640  277.209 7.2713  -4.172882      10.34895 
1 1 1 -13 -8  7  o 219.299 4.2187  6472.22   247.778   6562.53   349.927   6381.40   350.896   220.842 5.9157  217.756 6.0162  3.086441       8.437401 
1 1 1 -13 -8  8  o 117.223 2.5208  1844.19   79.114    1896.53   111.516   1791.15   112.257   118.902 3.5015  115.544 3.6272  3.357697       5.041593 
1 1 1 -13 -8  9  o 197.805 3.8245  5261.41   202.620   5319.30   286.467   5203.45   286.628   198.899 5.3772  196.712 5.4400  2.187073       7.649024 
1 1 1 -13 -8  10 o 181.154 3.5466  4410.60   172.083   4382.63   243.586   4438.46   243.138   180.578 5.0362  181.729 4.9950  -1.151840      7.093183 
1 1 1 -13 -8  11 o 75.833  1.9354  770.723   39.300    797.237   56.101    745.174   55.070    77.114  2.7161  74.552  2.7578  2.561668       3.870777 
1 1 1 -13 -8  12 o 20.705  2.0810  59.661    10.610    85.566    15.492    36.776    14.561    25.160  2.3251  16.250  3.4519  8.909740       4.161986 
1 1 1 -13 -8  13 o 137.728 2.8713  2548.26   105.864   2474.52   150.673   2620.15   148.773   135.752 4.1438  139.704 3.9758  -3.952057      5.742664 
1 1 1 -13 -8  14 o 77.062  2.0032  796.168   41.325    800.906   59.502    791.754   57.438    77.282  2.8745  76.842  2.7907  0.4399338      4.006333 
1 1 1 -13 -8  15 o 59.238  1.8712  470.633   29.652    467.852   42.980    473.158   40.961    59.070  2.7165  59.407  2.5742  -0.3376465     3.742469 
1 1 1 -13 -8  16 o 57.024  1.8688  435.630   28.515    443.672   41.416    428.382   39.318    57.522  2.6881  56.525  2.5970  0.9975548      3.737673 
1 1 1 -13 -8  17 o 96.796  2.3193  1257.89   60.095    1224.47   85.693    1290.22   84.299    95.526  3.3491  98.065  3.2094  -2.538956      4.638626 
1 1 1 -13 -8  18 o 233.245 4.5412  7339.62   283.705   7358.28   401.756   7321.05   400.687   233.541 6.4226  232.950 6.4218  0.5912476      9.082323 
1 1 1 -13 -8  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -8  20 o 151.187 6.3512  3084.31   257.194   3084.31   257.194   0.0000    0.0000    151.187 6.3512  ?       ?       ?              ?        
1 1 1 -13 -8  21 o 90.868  2.3058  1108.48   56.095    1145.07   79.246    1071.74   79.415    92.374  3.2029  89.361  3.3179  3.013092       4.611586 
1 1 1 -13 -8  22 o 173.072 3.5176  4032.43   163.060   4053.02   230.197   4011.68   231.008   173.519 4.9529  172.624 4.9962  0.8950195      7.035139 
1 1 1 -13 -8  23 o 90.390  2.3201  1096.96   56.165    1100.57   78.926    1093.25   79.941    90.542  3.2545  90.237  3.3075  0.3050461      4.640150 
1 1 1 -13 -8  24 o 23.217  2.6189  74.190    15.715    68.452    21.925    80.251    22.535    22.256  3.8153  24.179  3.5886  -1.922445      5.237793 
1 1 1 -13 -8  25 o 265.749 5.1610  9610.86   367.353   9501.54   518.290   9721.21   520.750   264.216 7.3236  267.282 7.2740  -3.065735      10.32209 
1 1 1 -13 -8  26 o 116.418 2.7146  1827.63   84.504    1926.46   118.617   1725.77   120.417   119.640 3.7015  113.195 3.9717  6.445518       5.429109 
1 1 1 -13 -8  27 o 34.262  2.2134  159.042   20.065    149.531   27.975    169.120   28.797    33.192  3.1858  35.332  3.0735  -2.140644      4.426712 
1 1 1 -13 -8  28 o 87.954  2.3721  1042.85   55.831    1065.60   77.877    1018.79   80.084    88.955  3.2685  86.953  3.4385  2.001579       4.744112 
1 1 1 -13 -8  29 o 47.359  2.0755  302.839   26.183    294.102   36.274    312.343   37.830    46.647  2.9179  48.072  2.9523  -1.425182      4.150975 
1 1 1 -13 -8  30 o 112.717 2.6112  1720.02   78.728    1708.17   114.107   1730.79   108.762   112.314 3.7931  113.120 3.5896  -0.8060074     5.222330 
1 1 1 -13 -8  31 o 62.147  2.4065  527.698   38.998    543.318   50.478    504.569   61.423    63.432  2.9710  60.861  3.7867  2.571732       4.813087 
1 1 1 -13 -8  32 o 59.352  2.0041  471.829   31.649    532.887   47.572    423.345   42.392    62.801  2.8281  55.903  2.8404  6.897858       4.008281 
1 1 1 -13 -8  33 o 80.563  2.2146  876.631   47.677    931.827   70.441    829.971   64.766    82.880  3.1731  78.245  3.0903  4.635078       4.429272 
1 1 1 -13 -8  34 o 34.057  2.0803  156.567   18.629    172.112   28.716    145.270   24.480    35.486  3.0509  32.629  2.8290  2.856777       4.160682 
1 1 1 -13 -8  35 f 47.066  2.1743  311.098   26.385    251.244   39.942    357.439   35.145    42.745  3.5199  51.388  2.5534  -8.643185      4.348526 
1 1 1 -13 -8  36 o 32.910  2.2184  148.749   18.860    150.213   30.101    147.803   24.198    32.950  3.4625  32.870  2.7744  0.7961655E-01  4.436865 
1 1 1 -13 -8  37 o 13.842  3.1286  26.465    12.889    24.834    21.086    27.438    16.286    13.765  4.7312  13.919  4.0948  -0.1539536     6.257143 
1 1 1 -13 -8  38 o 53.027  2.1858  388.107   30.493    382.027   46.864    392.571   40.155    52.539  3.3477  53.515  2.8113  -0.9766273     4.371507 
1 1 1 -13 -8  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -8  40 o 28.781  2.5272  112.058   18.567    146.336   30.706    92.302    23.312    32.095  3.6360  25.466  3.5110  6.629551       5.054438 
1 1 1 -13 -8  41 o 47.001  2.2783  303.159   28.103    358.220   44.569    266.820   36.207    50.401  3.3200  43.601  3.1210  6.799885       4.556654 
1 1 1 -13 -8  42 o 17.429  3.2739  39.813    15.304    72.834    27.324    24.719    18.474    21.722  4.8221  13.136  4.4295  8.585587       6.547793 
1 1 1 -13 -8  43 o 12.409  2.9639  3.9393    13.605    50.224    24.319    -17.1477  16.415    17.854  4.9251  6.9639  3.2987  10.89055       5.927754 
1 1 1 -13 -8  44 o 9.5408  2.9897  -6.0534   13.706    11.046    25.933    -12.6812  16.145    11.827  4.9298  7.2547  3.3838  4.572273       5.979369 
1 1 1 -13 -8  45 o 30.093  2.8757  130.086   21.730    161.193   37.360    114.183   26.714    32.419  4.4175  27.766  3.6828  4.652714       5.751311 
1 1 1 -13 -8  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -7  1  o 30.122  1.6896  122.805   13.454    135.243   18.947    110.157   19.107    31.688  2.2469  28.556  2.5240  3.131485       3.379242 
1 1 1 -13 -7  2  o 174.143 3.4880  4075.47   162.612   3928.50   230.094   4222.11   229.843   170.995 5.0238  177.291 4.8401  -6.295380      6.976055 
1 1 1 -13 -7  3  o 250.229 4.7843  8433.32   320.657   8379.22   453.467   8487.42   453.487   249.421 6.7877  251.036 6.7443  -1.614395      9.568658 
1 1 1 -13 -7  4  o 235.878 4.4755  7487.77   282.751   7548.80   399.620   7426.60   400.120   236.846 6.2993  234.910 6.3591  1.935654       8.950977 
1 1 1 -13 -7  5  o 169.839 3.3773  3873.53   153.627   3813.87   216.676   3933.85   217.851   168.521 4.8003  171.156 4.7520  -2.634933      6.754582 
1 1 1 -13 -7  6  o 249.707 4.7262  8395.27   316.102   8405.13   446.448   8385.37   447.625   249.857 6.6710  249.558 6.6966  0.2989807      9.452341 
1 1 1 -13 -7  7  o 179.512 3.5506  4329.66   170.678   4430.12   240.968   4228.51   241.784   181.609 4.9537  177.414 5.0880  4.195007       7.101245 
1 1 1 -13 -7  8  o 147.522 3.0087  2921.02   118.883   2908.50   167.961   2933.59   168.290   147.205 4.2599  147.839 4.2499  -0.6343079     6.017337 
1 1 1 -13 -7  9  o 274.434 5.1609  10155.50  379.267   9902.25   536.402   10408.67  536.327   270.989 7.3901  277.879 7.2058  -6.889557      10.32171 
1 1 1 -13 -7  10 o 172.712 3.4124  4007.37   157.845   3955.50   223.724   4058.78   222.732   171.595 4.8676  173.830 4.7838  -2.234787      6.824826 
1 1 1 -13 -7  11 o 46.661  1.6808  292.394   20.923    296.782   30.243    288.366   28.978    46.995  2.4107  46.326  2.3429  0.6685104      3.361669 
1 1 1 -13 -7  12 o 102.276 2.3050  1403.88   63.100    1370.03   90.216    1436.29   88.288    101.064 3.3327  103.487 3.1851  -2.422119      4.609982 
1 1 1 -13 -7  13 o 141.678 2.9309  2694.98   111.210   2690.34   158.311   2699.51   156.259   141.555 4.1754  141.801 4.1141  -0.2462921     5.861732 
1 1 1 -13 -7  14 o 73.546  1.9900  724.772   39.186    742.790   56.392    707.948   54.491    74.429  2.8287  72.663  2.7997  1.765678       3.979984 
1 1 1 -13 -7  15 o 142.056 2.9494  2710.39   112.206   2679.76   159.486   2740.41   157.893   141.257 4.2152  142.855 4.1265  -1.597778      5.898812 
1 1 1 -13 -7  16 o 167.720 3.3889  3781.42   152.238   3793.31   216.032   3769.69   214.571   167.981 4.8014  167.460 4.7838  0.5214691      6.777767 
1 1 1 -13 -7  17 o 121.231 2.6873  1973.54   87.239    1933.91   123.744   2012.71   123.009   120.017 3.8494  122.445 3.7507  -2.428596      5.374514 
1 1 1 -13 -7  18 o 169.583 3.4122  3867.42   154.972   3943.02   219.426   3792.17   218.902   171.243 4.7840  167.923 4.8669  3.319260       6.824423 
1 1 1 -13 -7  19 o 98.860  2.3593  1311.70   62.461    1341.73   88.324    1281.66   88.342    99.994  3.2977  97.726  3.3750  2.268532       4.718606 
1 1 1 -13 -7  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -7  21 o 67.625  2.0633  614.627   37.292    655.522   52.436    572.775   53.046    69.910  2.8003  65.340  3.0310  4.569580       4.126553 
1 1 1 -13 -7  22 o 156.968 3.2736  3314.20   137.628   3322.60   193.886   3305.67   195.394   157.172 4.6056  156.764 4.6535  0.4079437      6.547196 
1 1 1 -13 -7  23 o 121.522 2.7411  1984.48   89.210    1995.98   125.371   1972.70   126.967   121.882 3.8403  121.162 3.9123  0.7202911      5.482178 
1 1 1 -13 -7  24 o 217.368 4.2902  6388.69   249.636   6609.55   352.057   6165.34   354.028   221.188 5.9424  213.547 6.1895  7.640625       8.580323 
1 1 1 -13 -7  25 o 40.927  2.0457  225.695   22.261    219.440   30.701    232.630   32.327    40.331  2.8606  41.524  2.9252  -1.193665      4.091433 
1 1 1 -13 -7  26 o 116.040 2.6886  1812.06   83.548    1799.75   116.841   1824.95   119.513   115.641 3.7722  116.439 3.8320  -0.7975159     5.377160 
1 1 1 -13 -7  27 o 73.496  2.6103  719.442   48.911    698.787   60.315    759.111   83.586    72.089  3.1237  74.903  4.1830  -2.813942      5.220601 
1 1 1 -13 -7  28 o 19.695  2.4072  52.405    12.068    61.772    19.146    46.231    15.544    21.136  3.5048  18.253  3.3008  2.882799       4.814477 
1 1 1 -13 -7  29 o 42.096  1.9282  234.587   21.277    301.538   32.510    184.423   28.141    47.286  2.5766  36.907  2.8693  10.37891       3.856367 
1 1 1 -13 -7  30 o 87.357  2.2581  1028.07   52.764    1062.49   77.074    997.715   72.386    88.721  3.2434  85.994  3.1426  2.726303       4.516147 
1 1 1 -13 -7  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -7  32 o 43.170  2.0046  252.439   22.876    256.074   34.637    249.626   30.467    43.414  2.9970  42.927  2.6629  0.4877892      4.009124 
1 1 1 -13 -7  33 o 29.245  2.4267  113.307   16.592    200.729   26.473    56.748    21.293    38.467  2.5843  20.023  4.1081  18.44462       4.853410 
1 1 1 -13 -7  34 o 14.772  2.8525  31.080    11.479    28.590    18.349    32.681    14.713    14.365  4.3752  15.179  3.6612  -0.8144398     5.704957 
1 1 1 -13 -7  35 o 31.474  2.2141  137.362   18.016    128.820   27.934    143.446   23.574    30.529  3.4782  32.418  2.7406  -1.889118      4.428222 
1 1 1 -13 -7  36 o 42.954  2.0769  245.171   23.405    299.309   37.046    209.206   30.195    46.797  2.9709  39.111  2.9030  7.685730       4.153770 
1 1 1 -13 -7  37 o 44.158  2.2036  270.663   25.333    253.600   39.350    282.739   33.106    42.821  3.4604  45.495  2.7294  -2.673702      4.407206 
1 1 1 -13 -7  38 o 11.538  2.4637  15.208    11.324    -23.9753  19.582    34.895    13.881    7.4593  3.5533  15.617  3.4137  -8.157219      4.927409 
1 1 1 -13 -7  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -7  40 o 22.531  2.9971  71.901    16.754    83.942    28.664    65.652    20.649    23.746  4.6731  21.315  3.7540  2.430832       5.994172 
1 1 1 -13 -7  41 o 56.101  2.3023  438.251   33.930    468.827   53.428    417.586   43.924    57.535  3.4834  54.667  3.0113  2.867641       4.604592 
1 1 1 -13 -7  42 o 16.604  3.0121  47.535    15.273    9.0512    27.054    65.536    18.503    11.907  5.0042  21.301  3.3540  -9.393575      6.024248 
1 1 1 -13 -7  43 f 27.896  2.8628  113.301   19.605    122.293   34.115    108.867   23.955    28.285  4.6657  27.506  3.3185  0.7787819      5.725510 
1 1 1 -13 -7  44 o 11.513  3.2370  12.857    14.015    20.125    25.147    9.5827    16.879    12.865  5.0314  10.161  4.0742  2.703626       6.474091 
1 1 1 -13 -7  45 o 19.082  3.5823  52.758    17.766    83.574    32.129    39.185    21.323    22.458  5.4061  15.705  4.7015  6.753104       7.164527 
1 1 1 -13 -7  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -6  1  o 71.348  1.9317  682.468   36.898    708.322   52.300    656.846   52.065    72.695  2.6860  70.002  2.7768  2.693336       3.863348 
1 1 1 -13 -6  2  o 83.713  2.0647  939.474   46.290    920.125   65.405    958.893   65.522    82.849  2.9474  84.577  2.8923  -1.728874      4.129474 
1 1 1 -13 -6  3  o 286.299 5.4150  11046.56  415.245   11002.89  587.124   11090.27  587.365   285.730 7.6716  286.869 7.6443  -1.138794      10.82996 
1 1 1 -13 -6  4  o 232.467 4.4353  7268.19   276.127   7408.00   390.194   7127.93   390.812   234.716 6.2065  230.217 6.3378  4.499374       8.870698 
1 1 1 -13 -6  5  o 227.776 4.3423  6975.49   264.917   6976.65   374.068   6974.33   375.233   227.796 6.1308  227.755 6.1510  0.4072571E-01  8.684521 
1 1 1 -13 -6  6  o 162.858 3.2292  3559.65   140.851   3503.14   198.614   3616.83   199.777   161.556 4.5898  164.160 4.5435  -2.604126      6.458329 
1 1 1 -13 -6  7  o 147.336 2.9824  2912.68   117.698   2916.01   166.292   2909.33   166.608   147.421 4.2114  147.251 4.2243  0.1697388      5.964895 
1 1 1 -13 -6  8  o 109.918 2.3896  1620.03   70.351    1641.36   99.784    1598.94   99.201    110.638 3.3672  109.198 3.3916  1.439804       4.779246 
1 1 1 -13 -6  9  o 207.691 3.9817  5798.61   221.449   5668.01   313.693   5928.35   312.661   205.349 5.7032  210.032 5.5578  -4.682358      7.963393 
1 1 1 -13 -6  10 f 88.479  2.1184  1049.94   50.178    1034.52   71.812    1064.65   70.143    87.842  3.0521  89.116  2.9386  -1.273705      4.236851 
1 1 1 -13 -6  11 o 166.729 3.3161  3732.61   148.079   3801.48   210.576   3665.23   208.275   168.252 4.6726  165.206 4.7068  3.045959       6.632252 
1 1 1 -13 -6  12 o 97.348  2.2290  1270.00   58.089    1330.13   83.209    1212.83   81.132    99.596  3.1192  95.100  3.1851  4.495529       4.458006 
1 1 1 -13 -6  13 o 108.258 2.4125  1571.55   69.939    1616.25   99.875    1528.54   97.970    109.769 3.3969  106.747 3.4265  3.021507       4.824928 
1 1 1 -13 -6  14 o 100.077 2.3411  1343.67   62.741    1331.96   89.485    1354.98   87.991    99.647  3.3527  100.508 3.2685  -0.8613281     4.682289 
1 1 1 -13 -6  15 o 191.969 3.8039  4958.04   195.551   4851.94   277.017   5063.44   276.089   189.911 5.4459  194.027 5.3125  -4.116058      7.607866 
1 1 1 -13 -6  16 o 232.237 4.4846  7269.79   278.928   7412.42   394.860   7127.74   394.069   234.523 6.2859  229.950 6.3981  4.573456       8.969283 
1 1 1 -13 -6  17 o 64.164  1.9665  552.053   33.794    560.714   47.979    543.524   47.608    64.664  2.7701  63.665  2.7919  0.9995384      3.932922 
1 1 1 -13 -6  18 o 73.424  2.0670  723.188   40.622    688.207   57.193    758.799   57.706    71.630  2.9810  75.219  2.8642  -3.588440      4.134037 
1 1 1 -13 -6  19 o 113.262 2.5839  1722.15   78.388    1721.21   110.500   1723.09   111.217   113.232 3.6434  113.293 3.6651  -0.6038666E-01 5.167851 
1 1 1 -13 -6  20 o 164.875 4.8706  3656.49   215.091   0.0000    0.0000    3656.49   215.091   ?       ?       164.875 4.8706  ?              ?        
1 1 1 -13 -6  21 o 162.825 6.7628  3581.41   294.942   3581.41   294.942   0.0000    0.0000    162.825 6.7628  ?       ?       ?              ?        
1 1 1 -13 -6  22 o 84.797  2.2439  966.038   50.905    1000.40   71.191    930.086   72.818    86.347  3.0781  83.247  3.2657  3.099648       4.487733 
1 1 1 -13 -6  23 o 185.336 3.7431  4629.24   185.766   4716.79   261.530   4540.08   263.914   187.121 5.2181  183.551 5.3680  3.569748       7.486268 
1 1 1 -13 -6  24 o 111.492 2.6055  1669.78   77.793    1650.99   108.745   1689.47   111.332   110.852 3.6625  112.131 3.7069  -1.279808      5.211015 
1 1 1 -13 -6  25 o 60.171  1.9759  485.957   31.757    485.564   46.665    486.297   43.341    60.143  2.8968  60.198  2.6880  -0.5510330E-01 3.951765 
1 1 1 -13 -6  26 o 136.282 2.9129  2500.51   106.303   2545.60   152.373   2457.76   148.378   137.475 4.1381  135.089 4.1007  2.385681       5.825741 
1 1 1 -13 -6  27 o 25.522  2.2561  88.043    15.004    100.006   22.544    78.531    20.103    27.090  3.1668  23.954  3.2143  3.135406       4.512197 
1 1 1 -13 -6  28 o 76.905  2.1892  799.080   44.879    753.099   65.556    839.639   61.569    74.794  3.2723  79.017  2.9091  -4.223579      4.378447 
1 1 1 -13 -6  29 o 115.568 2.6818  1810.13   82.726    1697.48   119.481   1913.86   114.652   112.053 3.9809  119.084 3.5945  -7.030952      5.363634 
1 1 1 -13 -6  30 o 43.225  2.0473  258.392   23.001    217.650   34.574    290.741   30.808    40.028  3.2529  46.422  2.4867  -6.393646      4.094540 
1 1 1 -13 -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -6  32 o 60.433  2.0735  494.524   33.305    492.368   49.776    496.271   44.815    60.244  3.0952  60.623  2.7599  -0.3793488     4.146975 
1 1 1 -13 -6  33 o 58.437  2.0321  457.514   31.570    516.386   47.795    411.949   42.048    61.769  2.8888  55.105  2.8586  6.664227       4.064126 
1 1 1 -13 -6  34 o 12.259  2.7513  20.697    10.573    9.4546    17.620    27.023    13.217    10.698  4.2033  13.821  3.5513  -3.123533      5.502693 
1 1 1 -13 -6  35 o 35.326  2.1070  166.836   19.467    193.832   30.893    149.057   25.071    37.630  3.0924  33.022  2.8628  4.607780       4.214081 
1 1 1 -13 -6  36 o 43.535  2.1148  259.593   24.095    257.443   37.546    261.099   31.418    43.294  3.2617  43.775  2.6926  -0.4807816     4.229567 
1 1 1 -13 -6  37 o 30.924  2.4802  139.034   18.855    112.160   30.504    155.650   23.985    28.128  4.1756  33.721  2.6776  -5.593443      4.960333 
1 1 1 -13 -6  38 o 15.603  2.8196  38.977    13.201    8.8049    22.344    55.154    16.361    11.411  4.6471  19.796  3.1944  -8.385062      5.639145 
1 1 1 -13 -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -6  40 o 13.346  3.0868  25.752    13.717    5.1281    24.236    35.471    16.638    11.170  4.7175  15.523  3.9821  -4.352989      6.173508 
1 1 1 -13 -6  41 o 15.167  3.3706  33.665    14.747    36.164    25.188    32.362    18.191    15.594  5.1709  14.741  4.3251  0.8532495      6.741250 
1 1 1 -13 -6  42 o 10.470  2.8798  8.9838    13.074    -17.9606  23.292    21.379    15.798    8.6639  4.0489  12.276  4.0963  -3.611772      5.759669 
1 1 1 -13 -6  43 o 12.253  2.7338  19.124    13.600    -29.5434  24.920    39.769    16.231    8.2172  3.9397  16.289  3.7912  -8.071595      5.467603 
1 1 1 -13 -6  44 o 32.217  2.8022  148.783   22.387    170.402   39.351    138.439   27.221    33.462  4.5050  30.971  3.3339  2.490658       5.604444 
1 1 1 -13 -6  45 o 21.566  3.5929  75.596    19.192    75.241    35.149    75.748    22.909    20.786  5.9874  22.345  3.9733  -1.559010      7.185784 
1 1 1 -13 -6  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  7  o 357.173 7.9209  16937.18  719.744   16224.25  880.339   18374.42  1249.94   346.637 9.4817  367.708 12.691  -21.07077      15.84188 
1 1 1 -13 -5  8  o 310.700 5.7649  13011.08  479.724   12847.05  678.957   13174.59  677.910   308.731 8.2106  312.670 8.0946  -3.938873      11.52981 
1 1 1 -13 -5  9  o 388.670 7.2574  20461.63  754.597   19304.21  1067.29   21618.50  1067.04   377.554 10.554  399.785 9.9647  -22.23141      14.51480 
1 1 1 -13 -5  10 o 179.367 3.5390  4320.12   170.017   4329.89   241.541   4310.52   239.356   179.567 5.0220  179.168 4.9876  0.3989105      7.077907 
1 1 1 -13 -5  11 o 74.171  1.9878  739.105   39.399    700.840   56.656    774.937   54.825    72.305  2.9254  76.037  2.6920  -3.731873      3.975500 
1 1 1 -13 -5  12 f 176.056 3.4908  4163.12   164.595   4246.42   233.708   4081.14   231.848   177.807 4.9072  174.306 4.9660  3.500961       6.981525 
1 1 1 -13 -5  13 o 170.137 3.4597  3888.84   157.658   3877.02   223.670   3900.52   222.263   169.878 4.9157  170.396 4.8699  -0.5189819     6.919489 
1 1 1 -13 -5  14 o 114.074 2.5216  1745.79   77.044    1752.34   109.369   1739.33   108.550   114.286 3.5728  113.862 3.5593  0.4243317      5.043158 
1 1 1 -13 -5  15 o 55.075  1.8532  406.639   27.326    422.318   38.832    391.257   38.461    56.128  2.5830  54.023  2.6580  2.105038       3.706323 
1 1 1 -13 -5  16 o 230.153 4.4724  7138.55   275.673   7005.42   389.531   7272.14   390.193   227.991 6.3787  232.315 6.2707  -4.324249      8.944804 
1 1 1 -13 -5  17 o 76.745  2.0845  790.301   42.826    815.049   60.330    765.164   60.802    77.959  2.8892  75.531  3.0054  2.427643       4.168927 
1 1 1 -13 -5  18 f 188.757 3.7841  4795.91   191.280   4892.04   269.958   4699.00   271.067   190.668 5.2860  186.846 5.4163  3.821930       7.568250 
1 1 1 -13 -5  19 o 229.810 4.4565  7122.77   274.305   7041.18   386.981   7205.17   388.879   228.482 6.3234  231.138 6.2814  -2.656158      8.912958 
1 1 1 -13 -5  20 o 65.665  2.0525  579.165   36.049    602.054   50.382    555.154   51.602    67.000  2.8075  64.331  2.9948  2.668999       4.104921 
1 1 1 -13 -5  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  22 o 175.966 3.5881  4167.79   169.108   4158.23   237.872   4177.56   240.459   175.766 5.0527  176.166 5.0960  -0.4004822     7.176269 
1 1 1 -13 -5  23 o 47.025  1.8968  298.097   23.703    290.760   34.799    304.447   32.375    46.471  2.8089  47.578  2.5497  -1.106808      3.793535 
1 1 1 -13 -5  24 o 112.171 2.5560  1689.71   76.762    1709.74   110.444   1670.99   106.764   112.810 3.6551  111.532 3.5738  1.277992       5.111989 
1 1 1 -13 -5  25 o 144.237 3.0189  2798.22   116.578   2920.52   167.101   2682.25   162.720   147.312 4.2350  141.163 4.3036  6.148499       6.037879 
1 1 1 -13 -5  26 f 93.664  2.3609  1184.37   58.964    1099.66   85.401    1261.53   81.510    90.430  3.5258  96.898  3.1406  -6.468246      4.721724 
1 1 1 -13 -5  27 o 98.754  2.3977  1309.50   63.359    1375.05   92.079    1250.56   87.317    101.096 3.4005  96.413  3.3812  4.682449       4.795402 
1 1 1 -13 -5  28 o 96.113  2.3774  1242.80   61.129    1265.43   88.998    1222.59   84.107    96.930  3.4279  95.296  3.2951  1.634239       4.754839 
1 1 1 -13 -5  29 o 38.614  1.9704  200.444   20.112    211.798   30.525    191.733   26.736    39.564  2.9007  37.664  2.6675  1.899948       3.940737 
1 1 1 -13 -5  30 o 82.257  2.2510  914.355   49.420    894.639   72.551    931.424   67.504    81.400  3.3276  83.114  3.0323  -1.713921      4.501948 
1 1 1 -13 -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  32 o 18.649  2.5638  47.021    12.221    64.088    19.199    35.394    15.846    21.476  3.4547  15.822  3.7891  5.654103       5.127589 
1 1 1 -13 -5  33 o 46.514  2.0154  289.878   24.767    323.312   38.256    265.752   32.497    48.780  2.9418  44.249  2.7556  4.530529       4.030776 
1 1 1 -13 -5  34 o 64.129  2.1158  554.022   36.108    590.839   54.876    525.912   47.951    65.963  3.1060  62.295  2.8738  3.668129       4.231503 
1 1 1 -13 -5  35 o 49.910  2.0830  334.935   27.443    371.131   42.635    309.331   35.859    52.153  3.0655  47.667  2.8211  4.485764       4.166063 
1 1 1 -13 -5  36 o 76.235  2.2559  787.524   45.775    845.906   69.549    742.906   60.802    78.657  3.3012  73.813  3.0754  4.844124       4.511713 
1 1 1 -13 -5  37 o 14.069  3.0721  26.309    12.284    33.841    20.922    22.346    15.176    15.418  4.6665  12.720  3.9969  2.697939       6.144280 
1 1 1 -13 -5  38 o 20.884  2.7663  58.056    14.498    85.613    24.393    43.004    18.028    24.540  3.8367  17.228  3.9861  7.311979       5.532541 
1 1 1 -13 -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -5  40 o 27.146  2.8115  106.963   18.790    104.636   31.710    108.222   23.327    26.574  4.6229  27.718  3.2009  -1.144209      5.622911 
1 1 1 -13 -5  41 o 18.632  3.3497  51.914    15.987    56.450    28.130    49.750    19.431    18.991  5.3185  18.273  4.0739  0.7183628      6.699490 
1 1 1 -13 -5  42 o 24.021  3.0422  81.843    18.027    103.504   31.557    71.350    21.963    26.061  4.6933  21.981  3.8719  4.080057       6.084305 
1 1 1 -13 -5  43 o 15.527  3.3797  26.867    15.420    66.811    28.924    11.005    18.227    20.403  5.2593  10.650  4.2463  9.752422       6.759497 
1 1 1 -13 -5  44 f 36.400  2.6769  184.822   24.562    229.556   43.008    163.170   29.922    39.195  4.1603  33.605  3.3696  5.589050       5.353747 
1 1 1 -13 -5  45 o 12.873  3.5159  19.505    16.003    32.169    29.340    14.142    19.093    14.621  5.5058  11.124  4.3740  3.497283       7.031812 
1 1 1 -13 -5  46 o 15.661  6.0035  41.799    35.275    41.799    35.275    0.0000    0.0000    15.661  6.0035  ?       ?       ?              ?        
1 1 1 -13 -4  1  o 75.346  1.9599  760.836   39.547    745.488   55.922    776.191   55.934    74.585  2.7993  76.106  2.7439  -1.521385      3.919806 
1 1 1 -13 -4  2  o 96.055  2.2227  1236.60   57.184    1234.16   80.697    1239.07   81.046    95.960  3.1396  96.150  3.1470  -0.1904221     4.445312 
1 1 1 -13 -4  3  o 203.161 3.9137  5540.64   212.964   5585.19   300.828   5495.87   301.526   203.982 5.5060  202.339 5.5636  1.642624       7.827499 
1 1 1 -13 -4  4  o 255.274 4.8324  8757.51   330.411   8752.97   466.675   8762.08   467.871   255.208 6.8270  255.339 6.8410  -0.1309662     9.664749 
1 1 1 -13 -4  5  o 112.596 2.4394  1699.38   73.568    1701.51   103.799   1697.24   104.285   112.666 3.4396  112.525 3.4601  0.1418381      4.878822 
1 1 1 -13 -4  6  o 223.882 4.2187  6733.04   252.863   6498.26   357.634   6967.74   357.571   219.967 6.0700  227.797 5.8604  -7.829102      8.437385 
1 1 1 -13 -4  7  o 456.071 12.027  28502.17  1468.32   29687.62  2079.80   27324.17  2073.26   465.728 16.672  446.414 17.339  19.31464       24.05446 
1 1 1 -13 -4  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -4  9  o 204.322 5.6488  5623.76   309.068   5481.62   437.048   5765.95   437.129   201.724 8.0888  206.919 7.8871  -5.195221      11.29757 
1 1 1 -13 -4  10 o 133.093 2.7873  2375.88   99.357    2375.38   141.413   2376.37   139.628   133.078 3.9673  133.109 3.9163  -0.3033447E-01 5.574678 
1 1 1 -13 -4  11 o 196.892 3.8162  5207.54   201.230   5324.44   285.528   5092.17   283.644   199.092 5.3543  194.692 5.4392  4.400314       7.632427 
1 1 1 -13 -4  12 o 120.970 2.6330  1962.84   85.311    1968.55   121.209   1957.24   120.093   121.143 3.7355  120.796 3.7117  0.3473053      5.266009 
1 1 1 -13 -4  13 o 145.689 3.0302  2849.02   118.247   2861.05   167.463   2837.06   166.993   145.996 4.2824  145.382 4.2884  0.6138763      6.060494 
1 1 1 -13 -4  14 o 109.910 2.4807  1620.50   73.029    1620.43   103.194   1620.57   103.363   109.908 3.5054  109.912 3.5110  -0.4302979E-02 4.961346 
1 1 1 -13 -4  15 o 86.762  2.1847  1010.14   50.737    1045.90   71.461    973.800   72.050    88.314  3.0210  85.211  3.1568  3.103310       4.369420 
1 1 1 -13 -4  16 o 162.576 3.3435  3551.90   145.591   3563.47   205.320   3540.20   206.478   162.845 4.7073  162.307 4.7495  0.5375519      6.687011 
1 1 1 -13 -4  17 o 127.050 2.7809  2168.23   94.585    2229.63   133.089   2105.57   134.449   128.874 3.8556  125.226 4.0084  3.648598       5.561731 
1 1 1 -13 -4  18 o 205.331 4.0360  5677.34   221.954   5582.64   312.786   5773.38   315.005   203.601 5.7356  207.061 5.6798  -3.460052      8.071989 
1 1 1 -13 -4  19 o 132.173 2.8768  2346.44   101.838   2341.68   142.996   2351.32   145.067   132.040 4.0432  132.307 4.0935  -0.2667389     5.753683 
1 1 1 -13 -4  20 o 245.694 4.6978  8149.65   309.128   8301.28   438.726   8000.15   435.636   247.975 6.6054  243.413 6.6818  4.561707       9.395574 
1 1 1 -13 -4  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -4  22 o 188.787 3.7280  4798.22   188.472   4935.24   268.500   4665.12   264.620   191.451 5.2360  186.124 5.3080  5.326904       7.455916 
1 1 1 -13 -4  23 o 145.514 3.0539  2845.41   118.990   2942.09   170.375   2753.36   166.254   147.928 4.3000  143.100 4.3376  4.828033       6.107724 
1 1 1 -13 -4  24 o 103.265 2.5009  1440.23   68.787    1302.54   99.103    1568.24   95.554    98.456  3.7580  108.074 3.3010  -9.617287      5.001861 
1 1 1 -13 -4  25 o 126.456 2.7644  2148.81   93.594    2215.24   134.683   2086.77   130.156   128.343 3.9179  124.568 3.9009  3.774841       5.528749 
1 1 1 -13 -4  26 o 142.594 3.0428  2738.45   116.180   2789.97   166.871   2689.98   161.850   143.890 4.3297  141.299 4.2765  2.591278       6.085632 
1 1 1 -13 -4  27 o 75.495  2.1419  763.444   43.228    809.570   63.607    723.853   58.929    77.604  3.0600  73.387  2.9979  4.217781       4.283870 
1 1 1 -13 -4  28 o 89.285  2.3188  1073.10   55.342    1075.23   80.889    1071.21   75.883    89.354  3.3798  89.216  3.1755  0.1381454      4.637522 
1 1 1 -13 -4  29 o 64.403  2.0583  557.659   35.361    565.554   52.609    551.153   47.757    64.805  3.0308  64.002  2.7859  0.8030090      4.116673 
1 1 1 -13 -4  30 o 57.075  2.0242  438.589   30.710    448.246   46.157    430.919   41.135    57.582  3.0031  56.568  2.7149  1.013943       4.048398 
1 1 1 -13 -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -4  32 o 37.645  2.0179  188.028   19.949    226.634   31.191    161.301   25.952    40.853  2.8686  34.437  2.8388  6.415867       4.035837 
1 1 1 -13 -4  33 f 74.066  2.1751  736.506   42.941    826.247   64.601    665.468   57.476    78.065  3.0895  70.067  3.0626  7.998436       4.350231 
1 1 1 -13 -4  34 o 62.290  2.1477  529.094   35.419    513.704   53.440    541.152   47.300    61.374  3.2626  63.206  2.7939  -1.832249      4.295372 
1 1 1 -13 -4  35 o 71.432  2.2025  689.920   41.876    734.081   63.567    656.061   55.661    73.394  3.2336  69.471  2.9913  3.923218       4.404991 
1 1 1 -13 -4  36 o 11.123  2.7693  14.919    10.955    -0.8768   19.170    22.581    13.351    9.5609  4.1208  12.685  3.7005  -3.124111      5.538521 
1 1 1 -13 -4  37 o 37.305  2.2536  192.889   21.640    188.463   34.772    195.686   27.645    36.812  3.5715  37.799  2.7494  -0.9865036     4.507254 
1 1 1 -13 -4  38 o 43.654  2.2919  267.367   25.811    248.369   40.851    279.991   33.300    42.144  3.6551  45.164  2.7661  -3.019836      4.583763 
1 1 1 -13 -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -4  40 o 40.011  2.3395  217.442   24.263    261.435   39.913    191.657   30.557    43.020  3.4940  37.002  3.1120  6.018475       4.678941 
1 1 1 -13 -4  41 o 10.616  2.9340  10.247    12.983    -12.1171  23.666    19.874    15.527    9.2487  4.2361  11.983  4.0608  -2.734051      5.868087 
1 1 1 -13 -4  42 o 18.279  3.4275  48.488    16.182    64.713    28.860    41.048    19.543    20.163  5.2810  16.395  4.3706  3.767647       6.855033 
1 1 1 -13 -4  43 o 32.880  2.6995  151.980   22.554    184.678   38.243    134.543   27.927    35.271  4.1261  30.489  3.4822  4.781288       5.399083 
1 1 1 -13 -4  44 o 14.307  3.3218  32.713    16.485    0.0416    31.370    45.177    19.376    11.513  5.1071  17.101  4.2490  -5.588702      6.643515 
1 1 1 -13 -4  45 o 27.912  3.3385  123.986   22.064    119.678   39.409    125.952   26.628    26.577  5.7066  29.247  3.4666  -2.670126      6.677062 
1 1 1 -13 -4  46 o 11.963  3.2466  -4.8927   14.370    55.059    30.627    -21.8141  16.272    17.476  5.6975  6.4490  3.1147  11.02722       6.493287 
1 1 1 -13 -3  1  o 191.960 3.7469  4945.37   192.600   4813.44   272.453   5077.15   272.302   189.395 5.3707  194.524 5.2262  -5.129105      7.493882 
1 1 1 -13 -3  2  o 104.834 2.3552  1472.86   66.128    1446.20   93.207    1499.88   93.835    103.878 3.3499  105.789 3.3116  -1.911148      4.710482 
1 1 1 -13 -3  3  o 64.741  1.8229  561.324   31.604    548.546   44.157    574.744   45.252    63.986  2.5765  65.496  2.5795  -1.510067      3.645813 
1 1 1 -13 -3  4  o 279.957 5.2389  10534.05  392.785   10308.21  554.979   10760.71  555.986   276.940 7.4817  282.973 7.3355  -6.032654      10.47787 
1 1 1 -13 -3  5  o 193.831 3.7404  5040.85   194.183   5000.34   274.856   5081.22   274.377   193.051 5.3155  194.610 5.2637  -1.558517      7.480725 
1 1 1 -13 -3  6  o 375.698 6.9511  19026.33  699.431   18765.55  989.722   19286.50  988.568   373.108 9.9035  378.288 9.7565  -5.179688      13.90213 
1 1 1 -13 -3  7  o 153.049 3.1181  3143.21   127.743   3038.85   181.586   3245.45   179.740   150.528 4.5038  155.570 4.3135  -5.041855      6.236205 
1 1 1 -13 -3  8  f 275.527 5.2594  10209.05  388.128   10151.73  549.802   10265.99  547.993   274.751 7.4710  276.303 7.4046  -1.552002      10.51874 
1 1 1 -13 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -3  10 o 131.469 4.0163  2325.09   141.106   2502.21   199.364   2147.29   199.744   136.509 5.4525  126.429 5.8984  10.07976       8.032506 
1 1 1 -13 -3  11 o 267.529 5.1276  9634.57   367.430   9627.63   519.973   9641.48   519.276   267.431 7.2590  267.627 7.2440  -0.1950684     10.25522 
1 1 1 -13 -3  12 o 117.854 2.6113  1862.90   82.430    1855.87   116.558   1869.93   116.588   117.631 3.6994  118.077 3.6864  -0.4453506     5.222543 
1 1 1 -13 -3  13 o 53.191  1.8251  379.726   25.935    359.761   36.465    400.162   36.893    51.741  2.6400  54.642  2.5208  -2.900940      3.650180 
1 1 1 -13 -3  14 o 171.914 3.4545  3970.27   159.069   3943.56   224.342   3997.28   225.578   171.333 4.8886  172.496 4.8823  -1.163666      6.909090 
1 1 1 -13 -3  15 o 175.591 3.5273  4144.06   165.882   4183.71   233.807   4103.88   235.387   176.442 4.9473  174.740 5.0292  1.701462       7.054686 
1 1 1 -13 -3  16 o 111.801 2.5591  1677.13   76.627    1666.17   107.545   1688.43   109.209   111.431 3.6033  112.171 3.6349  -0.7398987     5.118202 
1 1 1 -13 -3  17 o 154.278 3.9668  3239.49   153.736   3310.22   188.463   3098.80   265.784   156.964 4.4827  151.593 6.5458  5.370972       7.933563 
1 1 1 -13 -3  18 o 143.448 3.0279  2768.84   116.136   2606.91   165.371   2926.41   163.135   139.288 4.4326  147.609 4.1262  -8.321457      6.055829 
1 1 1 -13 -3  19 o 280.057 5.3435  10610.06  400.810   10772.08  568.524   10449.95  565.152   282.196 7.5216  277.918 7.5921  4.277405       10.68707 
1 1 1 -13 -3  20 f 44.183  1.8300  263.144   21.481    256.550   31.539    268.849   29.337    43.655  2.7107  44.712  2.4590  -1.057800      3.659920 
1 1 1 -13 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -3  22 o 151.806 3.1809  3098.84   129.303   3087.99   184.820   3109.25   180.965   151.538 4.5534  152.074 4.4428  -0.5354462     6.361725 
1 1 1 -13 -3  23 o 22.802  2.3291  69.376    13.431    96.210    20.749    50.023    17.621    26.615  2.9608  18.989  3.5961  7.625164       4.658125 
1 1 1 -13 -3  24 o 204.356 4.0237  5634.49   220.196   5802.57   313.853   5471.55   309.012   207.367 5.6506  201.344 5.7299  6.023010       8.047454 
1 1 1 -13 -3  25 o 71.991  2.1075  696.971   40.507    679.609   59.294    712.165   55.469    71.141  3.1117  72.841  2.8431  -1.700073      4.214952 
1 1 1 -13 -3  26 f 129.124 2.8488  2245.80   98.449    2225.25   141.699   2264.98   136.882   128.537 4.1157  129.710 3.9399  -1.173096      5.697547 
1 1 1 -13 -3  27 o 177.082 3.6276  4244.00   172.027   4274.65   246.143   4214.74   240.522   177.692 5.1717  176.473 5.0885  1.219360       7.255256 
1 1 1 -13 -3  28 o 38.977  1.9894  201.607   20.435    235.338   31.595    177.349   26.794    41.740  2.8430  36.214  2.7836  5.525047       3.978827 
1 1 1 -13 -3  29 o 41.840  1.9884  236.744   21.954    235.849   33.305    237.432   29.195    41.743  2.9988  41.937  2.6121  -0.1939468     3.976890 
1 1 1 -13 -3  30 o 43.859  1.9618  255.692   22.712    307.597   34.682    216.721   30.052    47.711  2.7252  40.006  2.8226  7.704990       3.923508 
1 1 1 -13 -3  31 o 66.622  2.4898  597.402   43.661    574.946   56.579    630.460   68.648    65.196  3.2400  68.049  3.7813  -2.852562      4.979512 
1 1 1 -13 -3  32 o 25.364  2.3000  89.149    14.880    85.713    23.473    91.459    19.241    24.863  3.6318  25.866  2.8230  -1.003225      4.599959 
1 1 1 -13 -3  33 o 83.836  2.3334  954.446   52.143    958.895   77.726    950.805   70.313    83.956  3.4564  83.716  3.1357  0.2395630      4.666854 
1 1 1 -13 -3  34 o 34.353  2.3142  169.048   19.890    133.263   31.275    193.353   25.774    30.980  3.8521  37.726  2.5659  -6.746014      4.628468 
1 1 1 -13 -3  35 o 66.304  2.1860  593.425   38.506    636.853   59.072    561.340   50.776    68.348  3.2268  64.261  2.9500  4.086639       4.372023 
1 1 1 -13 -3  36 o 34.957  2.2355  164.211   20.347    189.880   32.662    147.932   26.011    37.103  3.3217  32.810  2.9927  4.292816       4.470974 
1 1 1 -13 -3  37 o 68.634  2.2655  642.110   41.279    678.852   63.382    615.046   54.397    70.239  3.3690  67.028  3.0299  3.211029       4.531021 
1 1 1 -13 -3  38 o 39.688  2.2873  216.087   23.548    230.572   38.019    207.071   29.994    40.629  3.5286  38.747  2.9114  1.882557       4.574604 
1 1 1 -13 -3  39 o 21.514  3.2162  72.281    17.560    52.904    28.342    84.354    22.371    18.673  5.3758  24.356  3.5323  -5.682396      6.432425 
1 1 1 -13 -3  40 o 26.358  2.9023  100.253   18.873    104.998   32.185    97.766    23.299    26.508  4.7054  26.209  3.3990  0.2989616      5.804606 
1 1 1 -13 -3  41 o 14.178  3.3280  21.310    14.607    51.614    26.788    8.4864    17.426    18.158  5.2261  10.199  4.1219  7.959064       6.655932 
1 1 1 -13 -3  42 f 9.8066  2.9004  4.3620    13.238    -18.2685  24.783    13.396    15.659    8.9523  4.1813  10.661  4.0206  -1.708538      5.800718 
1 1 1 -13 -3  43 f 10.149  3.1377  0.5414    14.724    5.7822    27.553    -1.5536   17.420    11.533  4.9552  8.7649  3.8504  2.767673       6.275343 
1 1 1 -13 -3  44 o 40.050  2.7148  230.330   27.421    259.952   47.323    215.359   33.644    41.448  4.3264  38.652  3.2807  2.795887       5.429615 
1 1 1 -13 -3  45 o 15.897  4.6510  40.787    21.062    0.0000    0.0000    40.787    21.062    ?       ?       15.897  4.6510  ?              ?        
1 1 1 -13 -2  1  o 157.157 3.2439  3314.03   136.403   3134.91   192.796   3493.56   193.010   152.897 4.7077  161.417 4.4642  -8.520020      6.487814 
1 1 1 -13 -2  2  o 96.373  2.2440  1245.61   57.797    1142.84   81.301    1350.62   82.181    92.348  3.2868  100.397 3.0560  -8.048729      4.488047 
1 1 1 -13 -2  3  o 170.804 3.3800  3912.33   154.625   3956.63   218.484   3867.87   218.862   171.774 4.7487  169.834 4.8112  1.940353       6.760031 
1 1 1 -13 -2  4  o 446.141 8.2289  26861.23  983.274   26510.18  1390.64   27212.21  1390.48   443.204 11.714  449.079 11.560  -5.875275      16.45780 
1 1 1 -13 -2  5  o 460.321 8.4837  28613.72  1045.98   28418.04  1479.94   28809.03  1478.54   458.733 12.045  461.908 11.951  -3.174774      16.96731 
1 1 1 -13 -2  6  o 477.480 8.7918  30815.86  1124.40   30833.60  1591.04   30798.15  1589.25   477.616 12.437  477.344 12.430  0.2722473      17.58360 
1 1 1 -13 -2  7  o 197.627 3.8890  5242.53   205.781   5092.20   291.825   5391.20   290.218   194.802 5.5929  200.452 5.4053  -5.650696      7.778094 
1 1 1 -13 -2  8  o 166.922 3.4130  3737.17   152.583   3804.71   216.717   3670.79   214.865   168.418 4.8041  165.425 4.8493  2.993042       6.826049 
1 1 1 -13 -2  9  o 481.538 9.0979  31438.46  1173.44   31393.33  1659.93   31483.53  1659.05   481.187 12.879  481.889 12.854  -0.7025146     18.19576 
1 1 1 -13 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -2  11 o 317.804 6.0214  13617.44  512.555   13702.12  724.667   13532.67  725.057   318.800 8.4866  316.808 8.5445  1.991791       12.04284 
1 1 1 -13 -2  12 o 409.722 7.6774  22758.73  842.536   22834.47  1190.98   22682.84  1192.07   410.415 10.834  409.029 10.881  1.386261       15.35477 
1 1 1 -13 -2  13 o 278.504 5.3305  10460.82  397.394   10866.24  561.466   10053.86  562.536   283.951 7.3823  273.057 7.6914  10.89368       10.66097 
1 1 1 -13 -2  14 o 149.507 3.9137  3070.34   146.109   3196.03   179.086   2820.14   252.676   154.296 4.3333  144.719 6.5185  9.576614       7.827430 
1 1 1 -13 -2  15 o 310.213 5.8385  13010.92  485.118   13106.07  687.283   12916.44  684.844   311.349 8.2414  309.077 8.2725  2.271637       11.67708 
1 1 1 -13 -2  16 o 102.342 2.4783  1417.73   67.222    1197.67   96.000    1629.43   94.159    94.464  3.7942  110.219 3.1895  -15.75426      4.956630 
1 1 1 -13 -2  17 o 153.164 3.1160  3152.26   127.557   3428.35   182.115   2886.38   178.718   159.765 4.2557  146.563 4.5525  13.20181       6.231922 
1 1 1 -13 -2  18 o 188.522 3.7636  4785.57   189.924   4629.15   270.056   4938.64   267.154   185.453 5.4367  191.592 5.2059  -6.138901      7.527208 
1 1 1 -13 -2  19 o 163.098 3.3825  3585.02   147.397   3324.15   209.826   3839.17   207.102   157.199 4.9833  168.997 4.5753  -11.79799      6.765093 
1 1 1 -13 -2  20 o 88.346  2.2073  1045.32   52.161    1125.64   75.387    971.542   72.246    91.599  3.0727  85.094  3.1698  6.505470       4.414619 
1 1 1 -13 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -2  22 o 154.388 3.1962  3203.63   132.135   3305.43   189.020   3106.34   184.786   156.788 4.5010  151.988 4.5391  4.800339       6.392363 
1 1 1 -13 -2  23 o 83.859  2.2450  948.518   50.173    875.998   72.775    1014.21   69.265    80.778  3.3636  86.940  2.9744  -6.162216      4.490067 
1 1 1 -13 -2  24 o 90.044  2.2611  1084.34   54.345    1220.43   79.359    964.162   74.575    95.350  3.1073  84.738  3.2857  10.61167       4.522294 
1 1 1 -13 -2  25 o 121.231 2.7684  1981.67   89.666    1878.55   129.158   2077.61   124.580   118.157 4.0811  124.306 3.7417  -6.149162      5.536735 
1 1 1 -13 -2  26 o 53.010  1.9852  375.418   27.974    415.747   41.848    342.840   37.612    55.569  2.8208  50.451  2.7942  5.118061       3.970489 
1 1 1 -13 -2  27 o 104.973 2.5579  1489.23   71.631    1405.89   104.174   1563.97   98.656    102.146 3.8076  107.800 3.4168  -5.653778      5.115837 
1 1 1 -13 -2  28 f 72.004  2.1491  697.680   41.281    697.688   61.179    697.674   55.933    71.989  3.1728  72.019  2.8996  -0.3018951E-01 4.298167 
1 1 1 -13 -2  29 o 89.956  2.3191  1086.27   55.750    1176.29   82.166    1009.48   75.891    93.393  3.2847  86.520  3.2748  6.873482       4.638254 
1 1 1 -13 -2  30 o 17.340  3.4113  42.035    15.280    0.0000    0.0000    42.035    15.280    ?       ?       17.340  3.4113  ?              ?        
1 1 1 -13 -2  31 o 100.994 2.4859  1378.56   67.125    1453.06   98.602    1314.20   91.639    103.515 3.5563  98.472  3.4744  5.042297       4.971737 
1 1 1 -13 -2  32 o 36.366  2.1271  182.199   20.054    169.715   31.236    190.953   26.156    35.212  3.3523  37.519  2.6192  -2.306858      4.254214 
1 1 1 -13 -2  33 o 30.108  2.2414  125.099   17.370    120.725   27.388    128.043   22.466    29.576  3.5267  30.640  2.7673  -1.064112      4.482844 
1 1 1 -13 -2  34 o 64.825  2.2593  580.161   38.458    520.977   58.125    626.242   51.289    61.683  3.5328  67.966  2.8173  -6.283131      4.518634 
1 1 1 -13 -2  35 o 76.855  2.3383  808.885   47.683    787.951   71.999    825.242   63.640    75.857  3.5435  77.853  3.0519  -1.995361      4.676623 
1 1 1 -13 -2  36 f 55.298  2.1965  416.922   31.986    432.474   49.713    405.935   41.784    56.085  3.3241  54.511  2.8719  1.573593       4.392925 
1 1 1 -13 -2  37 o 15.688  3.1193  34.690    13.242    39.184    22.160    32.194    16.516    16.432  4.7601  14.944  4.0327  1.487800       6.238677 
1 1 1 -13 -2  38 o 42.760  2.9133  252.238   33.168    0.0000    0.0000    252.238   33.168    ?       ?       42.760  2.9133  ?              ?        
1 1 1 -13 -2  39 o 6.6332  2.2396  -18.3493  10.823    -33.5831  19.306    -11.3683  13.069    6.7261  3.2818  6.5403  3.0486  0.1858730      4.479263 
1 1 1 -13 -2  40 o 29.020  2.7057  116.622   19.811    141.044   33.691    103.716   24.492    31.097  4.1483  26.943  3.4748  4.154352       5.411379 
1 1 1 -13 -2  41 o 44.455  2.5157  283.817   28.506    278.790   46.918    286.758   35.890    43.719  4.0527  45.191  2.9818  -1.471962      5.031472 
1 1 1 -13 -2  42 o 23.186  3.3426  86.975    18.814    70.692    33.003    94.815    22.900    20.763  5.7416  25.610  3.4241  -4.847301      6.685132 
1 1 1 -13 -2  43 o 9.1617  2.9061  -2.9357   13.709    -16.3500  27.092    1.6818    15.895    9.5204  4.4215  8.8029  3.7725  0.7175531      5.812137 
1 1 1 -13 -2  44 f 15.400  3.5604  28.386    17.060    65.916    30.618    11.489    20.544    19.813  5.5488  10.986  4.4630  8.827650       7.120883 
1 1 1 -13 -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -1  1  o 219.087 4.2681  6442.52   250.339   6207.83   353.911   6677.53   354.154   215.085 6.1432  223.089 5.9269  -8.003922      8.536187 
1 1 1 -13 -1  2  f 237.406 4.5747  7568.82   290.632   7191.41   410.923   7946.58   411.109   231.468 6.6280  243.344 6.3074  -11.87561      9.149468 
1 1 1 -13 -1  3  o 190.053 3.6981  4844.01   188.248   4893.25   266.694   4795.12   265.754   191.016 5.2126  189.089 5.2472  1.926773       7.396208 
1 1 1 -13 -1  4  o 294.353 5.4849  11640.80  432.381   11434.00  611.961   11846.95  610.997   291.734 7.8316  296.973 7.6813  -5.239197      10.96974 
1 1 1 -13 -1  5  o 317.229 5.8967  13527.02  501.035   13498.92  709.332   13555.01  707.813   316.898 8.3568  317.561 8.3215  -0.6627197     11.79340 
1 1 1 -13 -1  6  o 86.959  2.0889  1012.65   48.641    1043.38   69.690    983.460   67.922    88.244  2.9485  85.673  2.9599  2.571419       4.177853 
1 1 1 -13 -1  7  o 282.857 5.3184  10750.91  402.929   10851.08  570.680   10651.34  568.979   284.173 7.4976  281.540 7.5451  2.633545       10.63685 
1 1 1 -13 -1  8  o 234.379 4.5093  7377.62   282.980   7623.04   400.710   7133.45   399.680   238.278 6.2785  230.480 6.4743  7.797134       9.018636 
1 1 1 -13 -1  9  o 297.182 5.6397  11882.65  448.849   12125.92  634.766   11639.38  634.771   300.238 7.8933  294.126 8.0574  6.112427       11.27944 
1 1 1 -13 -1  10 o 396.481 14.891  21425.37  1581.41   0.0000    0.0000    21425.37  1581.41   ?       ?       396.481 14.891  ?              ?        
1 1 1 -13 -1  11 o 217.589 5.5145  6709.94   294.879   7346.91   362.839   5470.84   506.070   233.864 5.7924  201.313 9.3853  32.55119       11.02890 
1 1 1 -13 -1  12 o 189.998 3.7547  4851.31   190.953   4669.18   270.842   5031.32   269.261   186.438 5.4237  193.558 5.1937  -7.119293      7.509351 
1 1 1 -13 -1  13 o 375.396 6.9743  19092.18  700.663   20038.89  992.788   18152.68  988.998   384.768 9.6332  366.025 10.088  18.74298       13.94852 
1 1 1 -13 -1  14 o 194.894 3.8790  5116.29   202.000   4727.18   286.585   5500.49   284.766   187.485 5.7069  202.303 5.2553  -14.81848      7.757991 
1 1 1 -13 -1  15 o 114.354 2.6200  1767.09   79.574    1521.99   113.521   2003.84   111.574   106.486 3.9801  122.221 3.4082  -15.73539      5.239941 
1 1 1 -13 -1  16 o 280.727 5.3150  10646.20  399.446   11073.61  566.688   10224.14  563.133   286.368 7.3881  275.086 7.6428  11.28223       10.62996 
1 1 1 -13 -1  17 o 99.633  2.4716  1347.88   65.024    1104.34   92.977    1581.03   90.972    90.700  3.8272  108.567 3.1284  -17.86662      4.943104 
1 1 1 -13 -1  18 o 99.149  2.4186  1327.08   63.819    1178.37   91.511    1467.90   89.047    93.695  3.6464  104.603 3.1783  -10.90768      4.837116 
1 1 1 -13 -1  19 o 91.538  2.2431  1122.13   54.874    1233.19   79.338    1020.28   75.978    95.877  3.0894  87.200  3.2530  8.676651       4.486251 
1 1 1 -13 -1  20 o 38.525  1.9080  202.348   19.305    180.478   28.640    220.559   26.135    36.562  2.9496  40.488  2.4210  -3.925766      3.815969 
1 1 1 -13 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -1  22 o 22.078  2.2629  65.714    12.849    73.786    20.067    60.105    16.727    23.213  3.3222  20.944  3.0733  2.269209       4.525721 
1 1 1 -13 -1  23 o 170.589 3.4389  3915.41   157.023   4125.74   224.714   3714.71   219.504   175.077 4.7920  166.102 4.9338  8.974930       6.877874 
1 1 1 -13 -1  24 o 67.666  2.0384  611.169   36.845    668.216   54.448    562.980   50.043    70.563  2.8808  64.769  2.8846  5.794548       4.076758 
1 1 1 -13 -1  25 o 129.904 2.9271  2279.64   101.474   2112.33   145.941   2436.23   141.188   125.239 4.3506  134.569 3.9171  -9.330536      5.854172 
1 1 1 -13 -1  26 o 72.319  2.1721  707.545   41.760    652.684   61.392    754.787   56.970    69.674  3.2897  74.963  2.8373  -5.289391      4.344225 
1 1 1 -13 -1  27 o 93.850  2.3769  1183.79   59.651    1213.66   87.327    1157.67   81.676    94.948  3.4338  92.752  3.2876  2.195923       4.753868 
1 1 1 -13 -1  28 o 40.787  1.9761  220.242   21.236    263.250   32.852    189.373   27.833    44.154  2.7921  37.420  2.7971  6.734123       3.952203 
1 1 1 -13 -1  29 f 59.418  2.0617  477.632   32.473    464.520   48.783    488.065   43.516    58.618  3.1183  60.218  2.6979  -1.600574      4.123409 
1 1 1 -13 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -1  31 f 44.780  2.0042  268.243   23.722    300.634   36.498    244.551   31.215    47.084  2.9083  42.476  2.7586  4.608120       4.008494 
1 1 1 -13 -1  32 o 31.177  2.1333  130.296   17.371    148.813   27.336    117.754   22.498    32.993  3.1309  29.362  2.8984  3.630188       4.266525 
1 1 1 -13 -1  33 o 53.254  2.1731  391.135   30.283    351.947   46.166    420.732   40.121    50.740  3.4168  55.768  2.6860  -5.027962      4.346160 
1 1 1 -13 -1  34 o 48.823  2.2044  330.978   27.978    295.377   43.094    356.916   36.784    46.387  3.4941  51.259  2.6885  -4.872581      4.408706 
1 1 1 -13 -1  35 o 94.180  2.5119  1213.84   63.049    1236.81   94.348    1195.31   84.750    94.884  3.7124  93.477  3.3849  1.407280       5.023872 
1 1 1 -13 -1  36 o 27.700  2.5208  107.686   17.452    105.442   28.976    108.963   21.862    27.290  4.0900  28.109  2.9476  -0.8189659     5.041499 
1 1 1 -13 -1  37 o 33.439  2.3234  149.031   20.072    188.060   32.909    125.911   25.329    36.777  3.3786  30.102  3.1902  6.675030       4.646717 
1 1 1 -13 -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 -1  39 o 20.260  3.1484  59.742    16.106    66.380    26.928    56.045    20.096    20.953  4.8877  19.567  3.9700  1.385977       6.296897 
1 1 1 -13 -1  40 o 25.014  3.0925  96.349    18.622    82.341    31.765    103.685   22.987    23.008  5.2680  27.020  3.2408  -4.012484      6.185003 
1 1 1 -13 -1  41 o 13.122  3.1661  16.172    12.958    45.236    24.806    5.2654    15.196    17.033  5.0647  9.2109  3.8009  7.822573       6.332289 
1 1 1 -13 -1  42 o 29.980  2.8098  123.329   21.061    167.604   36.970    102.057   25.626    33.565  4.2045  26.395  3.7284  7.169508       5.619527 
1 1 1 -13 -1  43 o 22.794  3.3913  75.116    18.932    102.450   34.322    63.163    22.697    25.299  5.2375  20.289  4.3096  5.009602       6.782612 
1 1 1 -13 -1  44 o 17.126  3.7555  45.565    17.666    57.698    33.122    40.741    20.885    18.263  5.9235  15.989  4.6181  2.273724       7.510991 
1 1 1 -13 -1  45 o 22.478  3.8016  82.414    22.265    113.411   36.434    63.937    28.129    25.711  5.4592  19.245  5.2920  6.465359       7.603203 
1 1 1 -13 0   1  o 509.417 9.4675  35056.48  1291.72   34611.07  1827.26   35501.42  1826.28   506.154 13.478  512.681 13.299  -6.527557      18.93493 
1 1 1 -13 0   2  o 191.090 3.7593  4899.15   192.308   4726.83   272.580   5069.91   271.354   187.738 5.4207  194.443 5.2102  -6.704132      7.518632 
1 1 1 -13 0   3  o 224.331 4.3165  6751.67   259.361   6726.56   367.180   6776.67   366.405   223.913 6.1222  224.748 6.0866  -0.8348541     8.632993 
1 1 1 -13 0   4  o 358.560 6.6645  17291.90  640.052   17385.08  905.857   17198.99  904.485   359.528 9.4067  357.592 9.4433  1.935303       13.32901 
1 1 1 -13 0   5  o 281.383 5.3696  10636.75  404.489   11056.83  573.113   10219.83  570.960   286.934 7.4571  275.832 7.7281  11.10242       10.73924 
1 1 1 -13 0   6  o 143.711 2.9820  2769.39   114.671   2928.11   162.887   2613.44   161.462   147.798 4.1146  139.624 4.3174  8.173599       5.964038 
1 1 1 -13 0   7  o 332.298 7.7423  15041.32  646.834   15344.13  793.291   14440.64  1117.30   337.745 8.7691  326.851 12.762  10.89355       15.48465 
1 1 1 -13 0   8  o 148.104 3.0270  2940.79   120.003   3082.54   170.835   2802.71   168.607   151.630 4.2063  144.578 4.3540  7.051971       6.053944 
1 1 1 -13 0   9  o 256.244 4.8767  8822.76   334.706   8863.29   474.238   8782.54   472.457   256.830 6.8938  255.657 6.8995  1.173264       9.753345 
1 1 1 -13 0   10 o 220.760 4.2936  6551.79   253.580   6198.82   359.241   6902.33   357.996   214.810 6.2437  226.710 5.8955  -11.89993      8.587225 
1 1 1 -13 0   11 o 316.806 12.022  13617.43  1020.12   13617.43  1020.12   0.0000    0.0000    316.806 12.022  ?       ?       ?              ?        
1 1 1 -13 0   12 o 156.753 3.2458  3306.15   135.856   3024.09   192.943   3583.51   191.326   150.089 4.7994  163.416 4.3711  -13.32680      6.491602 
1 1 1 -13 0   13 o 285.380 5.4390  10986.82  415.525   10595.52  588.497   11375.86  586.789   280.273 7.8392  290.488 7.5416  -10.21432      10.87794 
1 1 1 -13 0   14 o 79.616  2.1057  852.713   44.755    790.111   64.213    911.848   62.410    76.761  3.1232  82.472  2.8253  -5.711205      4.211469 
1 1 1 -13 0   15 o 120.808 2.6345  1957.67   85.150    2090.82   121.801   1830.40   119.084   124.829 3.6429  116.787 3.8069  8.042786       5.269075 
1 1 1 -13 0   16 o 205.069 4.0436  5661.31   222.067   5583.24   315.439   5738.02   312.680   203.656 5.7827  206.483 5.6536  -2.826904      8.087204 
1 1 1 -13 0   17 o 73.401  2.0632  725.313   40.408    675.365   58.347    771.349   56.015    70.958  3.0699  75.845  2.7573  -4.886253      4.126416 
1 1 1 -13 0   18 o 60.291  1.9131  487.861   30.829    480.349   44.897    494.562   42.407    59.848  2.8007  60.733  2.6069  -0.8845024     3.826235 
1 1 1 -13 0   19 o 51.237  1.8720  352.410   25.574    354.163   37.581    350.898   34.901    51.316  2.7441  51.157  2.5471  0.1595192      3.744043 
1 1 1 -13 0   20 o 51.770  1.9213  360.312   26.472    361.943   38.978    358.915   36.066    51.872  2.8160  51.669  2.6145  0.2022743      3.842575 
1 1 1 -13 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 0   22 o 57.755  1.9583  444.049   30.048    519.739   44.690    381.602   40.592    62.250  2.6803  53.259  2.8560  8.991623       3.916674 
1 1 1 -13 0   23 o 37.399  1.9400  185.966   19.110    225.587   28.859    155.024   25.503    40.924  2.6469  33.874  2.8370  7.050625       3.880069 
1 1 1 -13 0   24 o 194.219 3.8213  5088.94   198.475   5484.26   283.859   4710.81   277.616   201.637 5.2559  186.802 5.5485  14.83522       7.642634 
1 1 1 -13 0   25 o 64.913  2.0795  568.069   35.946    542.047   53.054    590.151   48.873    63.522  3.1182  66.303  2.7520  -2.781078      4.158917 
1 1 1 -13 0   26 o 87.100  2.2981  1017.45   53.515    1063.24   78.639    977.952   73.035    88.915  3.3020  85.286  3.1972  3.629494       4.596179 
1 1 1 -13 0   27 o 90.864  2.3574  1110.23   57.246    1130.43   84.124    1092.81   78.124    91.619  3.4280  90.109  3.2369  1.510452       4.714742 
1 1 1 -13 0   28 o 18.319  2.6811  49.663    12.489    34.511    19.693    59.855    16.152    15.757  4.4632  20.881  2.9719  -5.123862      5.362155 
1 1 1 -13 0   29 o 20.875  2.6041  66.456    13.168    40.451    20.880    83.629    16.968    16.956  4.5165  24.794  2.5934  -7.838110      5.208128 
1 1 1 -13 0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 0   31 o 45.840  2.0675  284.182   24.959    291.795   38.543    278.685   32.754    46.326  3.1245  45.354  2.7086  0.9719467      4.135095 
1 1 1 -13 0   32 o 29.219  2.2739  117.796   16.969    114.618   27.246    119.811   21.690    28.800  3.6114  29.639  2.7640  -0.8396778     4.547757 
1 1 1 -13 0   33 o 52.319  2.1267  371.165   29.364    382.491   45.186    362.885   38.633    52.953  3.2009  51.684  2.8012  1.268784       4.253475 
1 1 1 -13 0   34 o 25.716  2.4537  90.324    15.999    98.374    26.333    85.613    20.143    26.528  3.8158  24.904  3.0858  1.624424       4.907402 
1 1 1 -13 0   35 o 41.638  2.2909  243.152   24.587    214.354   38.225    263.473   32.111    39.329  3.6711  43.947  2.7416  -4.618431      4.581848 
1 1 1 -13 0   36 o 38.533  2.2570  202.008   22.545    218.291   36.544    192.002   28.647    39.672  3.4740  37.394  2.8823  2.278439       4.514065 
1 1 1 -13 0   37 o 11.082  2.8118  14.249    11.602    -5.4473   20.605    23.393    14.039    9.3253  4.1378  12.839  3.8084  -3.513944      5.623644 
1 1 1 -13 0   38 o 24.404  4.8081  88.408    30.311    88.408    30.311    0.0000    0.0000    24.404  4.8081  ?       ?       ?              ?        
1 1 1 -13 0   39 o 26.423  2.8740  98.476    18.876    112.762   32.352    91.103    23.242    27.608  4.5323  25.239  3.5351  2.369638       5.747908 
1 1 1 -13 0   40 o 17.281  3.0684  32.509    14.419    84.676    27.636    12.996    16.903    23.718  4.5152  10.844  4.1560  12.87385       6.136752 
1 1 1 -13 0   41 o 16.705  3.1528  29.716    14.916    81.685    28.290    9.7049    17.555    23.040  4.7422  10.370  4.1559  12.67081       6.305556 
1 1 1 -13 0   42 o 23.618  3.4556  91.590    19.834    73.590    35.005    100.101   24.071    20.990  5.9522  26.245  3.5122  -5.255398      6.911211 
1 1 1 -13 0   43 o 13.129  3.6107  19.888    16.548    30.618    31.946    15.953    19.346    14.736  5.6963  11.521  4.4386  3.215146       7.221437 
1 1 1 -13 0   44 o 15.852  4.6974  40.545    21.366    0.0000    0.0000    40.545    21.366    ?       ?       15.852  4.6974  ?              ?        
1 1 1 -13 1   1  o 349.995 8.0490  16517.81  710.156   16459.32  1232.40   16546.89  868.925   349.178 13.177  350.812 9.2474  -1.634766      16.09800 
1 1 1 -13 1   2  o 443.219 8.2334  26474.49  977.261   25891.96  1381.82   27057.42  1382.29   438.311 11.770  448.127 11.516  -9.816376      16.46689 
1 1 1 -13 1   3  o 396.564 7.3438  21182.69  778.822   22623.81  1104.23   19756.12  1098.64   410.058 10.054  383.070 10.707  26.98798       14.68761 
1 1 1 -13 1   4  o 342.941 6.3964  15823.36  586.567   16952.28  832.444   14710.11  826.650   355.142 8.7511  330.741 9.3313  24.40036       12.79283 
1 1 1 -13 1   5  o 93.514  2.1788  1171.85   54.144    1375.85   78.192    983.932   75.047    101.337 2.8807  85.692  3.2697  15.64518       4.357673 
1 1 1 -13 1   6  f 485.065 8.9759  31777.81  1166.18   31737.82  1650.24   31817.70  1648.23   484.756 12.710  485.375 12.678  -0.6197510     17.95180 
1 1 1 -13 1   7  o 207.801 4.0703  5801.96   226.110   5392.43   320.080   6209.90   319.456   200.458 5.9614  215.145 5.5436  -14.68767      8.140598 
1 1 1 -13 1   8  o 79.195  2.0315  840.375   42.998    916.515   61.501    767.570   60.139    82.706  2.7762  75.685  2.9666  7.020714       4.063024 
1 1 1 -13 1   9  o 208.797 4.0765  5856.01   227.811   5610.50   322.893   6099.34   321.459   204.425 5.8970  213.169 5.6301  -8.743195      8.153083 
1 1 1 -13 1   10 o 213.734 4.1939  6146.04   239.528   5673.32   339.328   6615.50   338.162   205.505 6.1647  221.964 5.6879  -16.45987      8.387808 
1 1 1 -13 1   11 o 170.895 4.7927  3936.46   217.724   4565.30   311.837   3338.35   304.124   184.288 6.3174  157.502 7.2090  26.78642       9.585403 
1 1 1 -13 1   12 o 97.098  2.2846  1263.21   59.373    1333.77   85.059    1196.17   82.914    99.741  3.1839  94.454  3.2773  5.287918       4.569223 
1 1 1 -13 1   13 o 321.657 6.0925  13982.50  524.779   13665.34  743.178   14297.91  741.124   317.982 8.7257  325.332 8.5050  -7.350098      12.18495 
1 1 1 -13 1   14 o 253.678 4.8332  8672.27   328.350   8878.83   465.909   8468.44   462.821   256.692 6.7764  250.663 6.8934  6.029327       9.666370 
1 1 1 -13 1   15 o 265.407 5.1445  9517.17   365.203   8965.59   517.522   10064.31  515.433   257.675 7.4984  273.139 7.0453  -15.46402      10.28894 
1 1 1 -13 1   16 o 405.534 7.6123  22428.02  826.845   22638.43  1171.15   22218.90  1167.53   407.454 10.731  403.615 10.800  3.839203       15.22468 
1 1 1 -13 1   17 o 280.853 5.3519  10665.69  402.590   10655.04  571.099   10676.20  567.615   280.704 7.5958  281.002 7.5415  -0.2978516     10.70374 
1 1 1 -13 1   18 o 58.136  1.9104  452.780   29.703    460.956   43.371    445.556   40.763    58.628  2.7619  57.644  2.6402  0.9843140      3.820778 
1 1 1 -13 1   19 o 270.350 5.2456  9894.73   379.552   9487.75   538.441   10296.69  535.109   264.756 7.5928  275.945 7.2399  -11.18839      10.49127 
1 1 1 -13 1   20 o 121.879 2.7543  1999.72   89.706    1887.58   128.718   2105.62   125.086   118.534 4.0542  125.223 3.7294  -6.689194      5.508608 
1 1 1 -13 1   21 o 85.695  2.7207  999.915   59.884    1034.83   75.714    941.579   97.865    87.813  3.2190  83.576  4.3871  4.237106       5.441385 
1 1 1 -13 1   22 f 122.506 2.8011  2022.43   91.643    1895.30   131.750   2141.61   127.558   118.746 4.1423  126.265 3.7717  -7.519737      5.602175 
1 1 1 -13 1   23 o 90.136  2.3126  1089.91   55.761    1108.31   81.230    1073.52   76.682    90.850  3.3381  89.423  3.2015  1.427696       4.625259 
1 1 1 -13 1   24 o 57.606  2.0431  449.282   31.149    419.047   46.422    474.045   42.011    55.775  3.1199  59.438  2.6389  -3.662132      4.086215 
1 1 1 -13 1   25 o 105.374 2.5026  1488.75   70.512    1611.45   102.817   1379.80   96.884    109.465 3.5067  101.284 3.5713  8.180618       5.005118 
1 1 1 -13 1   26 o 13.756  2.7306  26.327    11.758    6.0975    18.194    40.837    15.409    10.400  4.2087  17.113  3.4802  -6.712812      5.461216 
1 1 1 -13 1   27 f 19.194  2.4731  47.981    12.238    95.604    19.552    17.309    15.691    26.520  2.7946  11.868  4.0812  14.65212       4.946268 
1 1 1 -13 1   28 o 64.991  2.2057  578.875   37.667    502.889   56.092    641.285   50.834    60.951  3.4500  69.031  2.7493  -8.080570      4.411460 
1 1 1 -13 1   29 o 88.696  2.3198  1053.15   54.791    1226.43   81.561    910.627   73.967    95.306  3.1950  82.087  3.3642  13.21851       4.639597 
1 1 1 -13 1   30 o 13.182  2.9254  23.318    11.516    26.073    16.692    20.815    15.910    13.781  4.1675  12.583  4.1066  1.197804       5.850813 
1 1 1 -13 1   31 o 89.513  2.3816  1081.68   56.907    1156.66   84.854    1020.38   76.717    92.295  3.4325  86.732  3.3024  5.563332       4.763144 
1 1 1 -13 1   32 o 21.471  2.4806  62.113    13.532    77.096    21.776    52.687    17.272    23.540  3.5653  19.402  3.4500  4.138269       4.961213 
1 1 1 -13 1   33 o 77.256  2.3174  808.672   47.654    846.288   72.149    779.563   63.469    78.786  3.4189  75.725  3.1292  3.060806       4.634760 
1 1 1 -13 1   34 o 72.091  2.3093  711.666   44.093    692.270   67.035    726.458   58.539    71.114  3.5193  73.069  2.9911  -1.954895      4.618664 
1 1 1 -13 1   35 o 57.104  2.1874  440.663   32.984    488.377   51.313    407.066   43.058    59.655  3.2234  54.554  2.9578  5.100681       4.374767 
1 1 1 -13 1   36 o 26.144  2.5336  93.750    16.811    106.062   27.741    86.604    21.133    27.380  3.8921  24.907  3.2448  2.473148       5.067280 
1 1 1 -13 1   37 o 31.185  5.1983  143.738   41.892    0.0000    0.0000    143.738   41.892    ?       ?       31.185  5.1983  ?              ?        
1 1 1 -13 1   38 o 34.862  2.4928  172.125   21.958    169.565   36.419    173.587   27.523    34.384  4.0309  35.340  2.9341  -0.9558144     4.985683 
1 1 1 -13 1   39 o 27.914  2.8738  113.155   19.846    114.998   33.520    112.160   24.626    27.732  4.6793  28.097  3.3376  -0.3650398     5.747613 
1 1 1 -13 1   40 o 10.120  3.0005  2.7392    13.014    14.605    22.924    -2.9038   15.808    11.991  4.7679  8.2489  3.6440  3.741916       6.000999 
1 1 1 -13 1   41 o 10.491  2.9188  10.516    12.661    -11.2470  24.037    18.872    14.894    9.3351  4.2733  11.646  3.9770  -2.311172      5.837574 
1 1 1 -13 1   42 o 16.687  3.4528  46.337    16.715    28.738    30.441    53.933    19.999    14.511  5.5736  18.864  4.0771  -4.353395      6.905602 
1 1 1 -13 1   43 o 9.8666  3.0167  3.7647    13.717    -5.7499   26.503    7.2460    16.032    10.153  4.5840  9.5805  3.9229  0.5721960      6.033441 
1 1 1 -13 1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 2   2  o 463.976 11.200  30405.42  1280.19   25764.35  2212.26   32742.05  1569.72   435.076 18.984  492.876 11.890  -57.80020      22.40010 
1 1 1 -13 2   3  o 441.094 8.2917  26229.79  979.212   25375.55  1385.94   27081.25  1383.69   433.873 11.926  448.315 11.523  -14.44168      16.58339 
1 1 1 -13 2   4  o 102.234 2.4015  1414.07   64.978    1176.34   92.652    1644.18   91.152    93.691  3.6920  110.776 3.0721  -17.08556      4.802999 
1 1 1 -13 2   5  o 331.997 6.2231  14820.12  553.286   14502.81  782.698   15137.06  782.232   328.430 8.8974  335.563 8.7031  -7.133118      12.44614 
1 1 1 -13 2   6  o 136.045 2.8532  2482.67   103.774   2674.33   147.476   2294.68   146.052   141.254 3.8979  130.837 4.1676  10.41748       5.706381 
1 1 1 -13 2   7  o 176.565 3.5050  4180.97   165.753   4236.94   235.161   4125.71   233.668   177.740 4.9396  175.389 4.9740  2.350464       7.010015 
1 1 1 -13 2   8  o 228.027 4.3824  6981.23   267.621   7138.01   379.397   6825.97   377.556   230.580 6.1430  225.473 6.2517  5.106262       8.764730 
1 1 1 -13 2   9  o 188.936 3.7439  4793.43   189.331   4606.06   268.488   4978.77   267.027   185.252 5.4109  192.619 5.1757  -7.367020      7.487720 
1 1 1 -13 2   10 o 55.983  3.7437  422.106   55.812    0.0000    0.0000    422.106   55.812    ?       ?       55.983  3.7437  ?              ?        
1 1 1 -13 2   11 o 213.203 4.1515  6108.22   237.071   6116.61   336.393   6099.95   334.157   213.347 5.8867  213.060 5.8554  0.2868652      8.302984 
1 1 1 -13 2   12 o 205.234 4.0182  5661.41   220.884   5680.61   313.602   5642.50   311.165   205.578 5.6952  204.891 5.6700  0.6875000      8.036435 
1 1 1 -13 2   13 o 51.543  1.8221  357.733   25.016    338.327   36.261    375.356   34.555    50.166  2.7087  52.921  2.4378  -2.755539      3.644132 
1 1 1 -13 2   14 o 163.296 3.3434  3584.07   146.168   3493.59   208.029   3672.29   205.422   161.250 4.8165  165.342 4.6385  -4.092178      6.686877 
1 1 1 -13 2   15 o 248.555 4.7913  8332.54   318.943   8235.85   452.543   8427.96   449.578   247.107 6.8373  250.004 6.7138  -2.897034      9.582503 
1 1 1 -13 2   16 o 242.991 4.7365  7972.90   307.915   7564.79   436.794   8376.04   434.134   236.753 6.8880  249.228 6.5033  -12.47542      9.473006 
1 1 1 -13 2   17 o 222.404 4.3293  6666.86   257.891   6735.81   366.586   6599.30   362.868   223.543 6.1225  221.266 6.1227  2.276917       8.658655 
1 1 1 -13 2   18 o 210.637 4.1410  5978.92   233.618   5987.85   332.365   5970.20   328.441   210.786 5.8869  210.489 5.8256  0.2972412      8.282070 
1 1 1 -13 2   19 o 156.276 3.2917  3290.22   137.519   3100.51   196.340   3472.92   192.674   151.822 4.8282  160.730 4.4754  -8.908829      6.583400 
1 1 1 -13 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 2   21 o 85.687  2.2639  987.058   51.824    958.508   75.419    1012.60   71.333    84.504  3.3321  86.871  3.0657  -2.366692      4.527804 
1 1 1 -13 2   22 f 55.109  1.9671  403.723   28.639    498.045   42.767    327.040   38.562    60.936  2.6203  49.282  2.9346  11.65380       3.934200 
1 1 1 -13 2   23 o 60.846  2.0169  494.355   32.770    528.664   48.726    466.022   44.280    62.762  2.8985  58.931  2.8053  3.831615       4.033729 
1 1 1 -13 2   24 o 68.931  2.1246  640.157   39.013    615.766   57.633    660.786   53.002    67.704  3.1781  70.158  2.8205  -2.454033      4.249179 
1 1 1 -13 2   25 o 129.415 2.9002  2259.58   100.366   2203.56   145.051   2311.04   139.020   127.847 4.2358  130.982 3.9626  -3.134911      5.800374 
1 1 1 -13 2   26 o 20.246  2.7138  67.870    14.231    16.972    22.198    103.391   18.544    12.863  4.7997  27.630  2.5340  -14.76683      5.427521 
1 1 1 -13 2   27 o 47.214  2.0388  301.424   25.400    298.338   38.637    303.774   33.708    46.972  3.0882  47.457  2.6625  -0.4855194     4.077538 
1 1 1 -13 2   28 o 40.275  2.0106  217.296   21.340    235.080   33.017    204.536   27.967    41.662  2.9784  38.887  2.7018  2.774250       4.021227 
1 1 1 -13 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 2   30 o 55.158  2.1006  411.826   30.629    412.953   46.845    410.984   40.481    55.141  3.1853  55.175  2.7392  -0.3421021E-01 4.201125 
1 1 1 -13 2   31 o 15.033  2.7904  30.111    11.080    40.264    18.591    24.518    13.798    16.831  4.1501  13.235  3.7314  3.595985       5.580898 
1 1 1 -13 2   32 o 29.099  2.3145  116.359   17.258    117.192   27.700    115.831   22.063    29.096  3.6336  29.103  2.8677  -0.7146835E-02 4.628921 
1 1 1 -13 2   33 o 78.960  2.3327  848.024   48.973    865.049   74.185    834.875   65.197    79.583  3.4802  78.338  3.1072  1.245422       4.665487 
1 1 1 -13 2   34 o 10.655  2.7940  12.420    10.795    2.3342    18.638    17.512    13.242    9.8429  4.1459  11.468  3.7467  -1.624837      5.588070 
1 1 1 -13 2   35 o 49.849  2.2573  342.592   29.308    337.941   46.359    345.688   37.826    49.422  3.5252  50.276  2.8203  -0.8542824     4.514546 
1 1 1 -13 2   36 o 32.707  2.3919  143.127   20.049    174.750   33.630    125.689   24.973    35.335  3.6037  30.079  3.1462  5.256042       4.783839 
1 1 1 -13 2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 2   38 o 27.097  2.7383  100.621   18.684    127.350   31.716    86.413    23.123    29.643  4.1047  24.550  3.6254  5.092188       5.476516 
1 1 1 -13 2   39 o 11.819  3.2213  15.918    14.003    9.6019    25.087    18.776    16.876    11.732  4.8658  11.907  4.2226  -0.1756372     6.442580 
1 1 1 -13 2   40 o 36.507  2.5692  181.851   23.945    234.505   40.866    154.323   29.549    40.190  3.8431  32.824  3.4107  7.366264       5.138348 
1 1 1 -13 2   41 o 16.101  3.5614  36.707    15.684    51.488    29.916    31.105    18.417    17.859  5.6120  14.343  4.3864  3.516179       7.122817 
1 1 1 -13 2   42 o 19.939  3.4667  72.565    19.798    28.113    35.134    93.249    23.966    14.718  5.8863  25.159  3.6640  -10.44130      6.933459 
1 1 1 -13 2   43 o 16.663  3.7038  47.724    18.720    32.265    34.067    54.412    22.406    14.846  5.8410  18.479  4.5557  -3.633305      7.407556 
1 1 1 -13 2   44 o 26.953  3.7170  125.931   23.611    114.736   43.092    130.734   28.225    24.534  6.4662  29.371  3.6677  -4.837770      7.433976 
1 1 1 -13 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 3   2  o 236.723 6.3491  7518.81   402.571   0.0000    0.0000    7518.81   402.571   ?       ?       236.723 6.3491  ?              ?        
1 1 1 -13 3   3  o 212.612 4.1049  6063.46   233.756   6128.93   331.169   5998.46   329.997   213.757 5.7842  211.467 5.8261  2.289841       8.209739 
1 1 1 -13 3   4  o 654.213 12.114  58146.86  2122.74   57638.07  3002.18   58655.53  3001.83   651.310 17.209  657.117 17.055  -5.807556      24.22873 
1 1 1 -13 3   5  o 305.424 5.7172  12537.47  467.556   12930.06  662.151   12147.08  660.301   310.208 7.9692  300.640 8.1999  9.568085       11.43441 
1 1 1 -13 3   6  o 220.909 4.2764  6550.66   252.964   6390.44   358.350   6709.81   357.144   218.209 6.1312  223.608 5.9630  -5.399002      8.552729 
1 1 1 -13 3   7  o 187.531 3.6870  4728.68   184.338   5287.90   261.974   4180.26   259.431   198.555 4.9259  176.507 5.4875  22.04814       7.374080 
1 1 1 -13 3   8  o 245.383 4.7051  8089.87   309.219   7987.38   438.147   8191.57   436.460   243.828 6.7088  246.938 6.5988  -3.109650      9.410259 
1 1 1 -13 3   9  o 239.096 4.5651  7682.74   292.217   7986.76   414.573   7382.54   411.953   243.811 6.3483  234.381 6.5620  9.429764       9.130236 
1 1 1 -13 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 3   11 o 239.699 4.6011  7729.07   295.393   7821.60   419.098   7637.71   416.412   241.128 6.4890  238.270 6.5248  2.857315       9.202181 
1 1 1 -13 3   12 o 162.572 3.3683  3556.12   146.344   3307.01   208.075   3799.97   205.867   156.910 4.9509  168.235 4.5686  -11.32550      6.736693 
1 1 1 -13 3   13 o 85.138  2.1582  970.456   49.128    1055.58   70.887    891.775   68.150    88.727  2.9828  81.548  3.1201  7.179108       4.316437 
1 1 1 -13 3   14 o 78.591  2.0856  826.610   43.822    901.157   63.400    758.416   60.639    81.979  2.8873  75.203  3.0104  6.776405       4.171242 
1 1 1 -13 3   15 o 122.581 2.7187  2018.67   89.187    1965.79   127.710   2069.02   124.605   121.005 3.9403  124.157 3.7470  -3.151283      5.437436 
1 1 1 -13 3   16 o 129.521 2.7793  2251.52   96.136    2491.95   138.058   2025.19   133.949   136.243 3.7832  122.799 4.0724  13.44398       5.558528 
1 1 1 -13 3   17 o 87.609  2.2413  1030.66   52.517    1010.80   75.938    1048.87   72.706    86.794  3.2665  88.423  3.0699  -1.629265      4.482628 
1 1 1 -13 3   18 o 89.370  2.2760  1071.79   54.418    1070.53   78.887    1072.93   75.166    89.316  3.2975  89.425  3.1381  -0.1087112     4.552097 
1 1 1 -13 3   19 o 128.833 2.8099  2227.24   96.899    2340.65   139.412   2121.25   134.777   132.005 3.9429  125.660 4.0043  6.344917       5.619712 
1 1 1 -13 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 3   21 o 38.429  2.1179  208.312   20.571    148.658   30.581    257.616   27.802    33.090  3.5037  43.768  2.3805  -10.67792      4.235875 
1 1 1 -13 3   22 o 166.933 3.5510  3768.85   158.109   3428.48   226.078   4094.68   221.200   159.473 5.2928  174.394 4.7355  -14.92105      7.102005 
1 1 1 -13 3   23 o 55.468  1.9987  410.713   29.530    445.431   44.205    382.734   39.683    57.606  2.8649  53.329  2.7878  4.277164       3.997415 
1 1 1 -13 3   24 o 107.399 2.5383  1547.53   72.925    1636.44   106.376   1468.69   100.168   110.300 3.6006  104.497 3.5788  5.803436       5.076623 
1 1 1 -13 3   25 o 111.699 2.7389  1692.50   81.385    1528.38   118.043   1841.19   112.358   106.454 4.1399  116.944 3.5871  -10.48919      5.477718 
1 1 1 -13 3   26 o 47.988  2.0552  311.855   26.023    303.385   39.408    318.404   34.654    47.377  3.1230  48.599  2.6724  -1.221653      4.110312 
1 1 1 -13 3   27 o 11.571  2.6191  17.625    9.7788    6.2217    15.632    24.957    12.534    9.7884  3.9222  13.354  3.4719  -3.565833      5.238119 
1 1 1 -13 3   28 o 35.394  2.0354  166.577   18.909    193.174   29.609    148.258   24.573    37.736  2.9530  33.053  2.8020  4.682785       4.070812 
1 1 1 -13 3   29 o 30.859  4.4444  132.482   35.675    132.482   35.675    0.0000    0.0000    30.859  4.4444  ?       ?       ?              ?        
1 1 1 -13 3   30 o 112.371 2.7088  1718.16   81.331    1745.86   119.665   1694.38   110.876   113.153 3.9483  111.589 3.7096  1.563995       5.417602 
1 1 1 -13 3   31 o 65.676  2.2367  588.721   38.845    567.261   58.764    605.374   51.768    64.494  3.4140  66.859  2.8907  -2.365501      4.473413 
1 1 1 -13 3   32 o 28.976  2.2894  115.246   17.012    117.076   27.336    114.089   21.733    29.077  3.5859  28.875  2.8471  0.2024117      4.578757 
1 1 1 -13 3   33 o 9.1179  2.3529  2.5244    9.9121    -30.4934  16.942    19.708    12.222    6.3166  3.0803  11.919  3.5576  -5.602505      4.705782 
1 1 1 -13 3   34 o 39.790  2.2727  216.660   23.405    223.473   37.755    212.407   29.828    40.184  3.5442  39.397  2.8458  0.7866821      4.545311 
1 1 1 -13 3   35 f 46.563  2.2768  299.620   27.564    296.856   43.739    301.440   35.500    46.232  3.5595  46.893  2.8398  -0.6607857     4.553527 
1 1 1 -13 3   36 o 14.552  3.2287  30.955    13.719    21.689    25.416    34.765    16.296    13.636  5.1264  15.467  3.9266  -1.831812      6.457442 
1 1 1 -13 3   37 o 38.393  2.5000  208.438   24.305    204.937   40.356    210.430   30.447    37.847  4.0436  38.939  2.9410  -1.091766      4.999963 
1 1 1 -13 3   38 o 21.724  3.0422  66.127    16.545    87.275    28.080    54.879    20.478    24.199  4.4976  19.248  4.0977  4.951046       6.084390 
1 1 1 -13 3   39 o 19.213  3.4556  56.298    16.891    58.714    30.470    55.227    20.296    19.188  5.5884  19.237  4.0662  -0.4854774E-01 6.911144 
1 1 1 -13 3   40 o 31.984  2.7745  140.740   22.309    184.268   38.933    119.464   27.220    35.276  4.2033  28.692  3.6226  6.583153       5.549006 
1 1 1 -13 3   41 o 17.088  3.7247  45.730    17.680    46.654    33.303    45.368    20.863    17.064  5.9412  17.113  4.4940  -0.4934692E-01 7.449431 
1 1 1 -13 3   42 o 10.247  3.1296  4.2450    15.061    -11.8689  29.407    9.9742    17.535    10.205  4.6916  10.290  4.1431  -0.8536339E-01 6.259105 
1 1 1 -13 3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 4   2  o 133.492 2.8134  2388.52   100.516   2513.51   142.988   2266.42   141.328   136.947 3.8982  130.037 4.0576  6.909454       5.626715 
1 1 1 -13 4   3  o 453.949 8.3924  27792.77  1020.34   28226.15  1444.14   27360.77  1441.82   457.505 11.785  450.393 11.952  7.112122       16.78474 
1 1 1 -13 4   4  o 96.524  2.2685  1248.84   58.498    1368.74   83.567    1133.63   81.917    101.070 3.0869  91.977  3.3251  9.092964       4.537075 
1 1 1 -13 4   5  o 125.518 2.6954  2111.26   90.598    2177.17   129.026   2047.16   127.242   127.450 3.7796  123.585 3.8439  3.865471       5.390853 
1 1 1 -13 4   6  o 371.054 6.9273  18549.88  688.418   18296.21  974.448   18802.64  972.694   368.504 9.8725  373.604 9.7202  -5.099579      13.85456 
1 1 1 -13 4   7  o 206.652 4.8959  5713.96   255.567   5810.99   444.093   5665.91   312.500   207.846 7.9771  205.457 5.6786  2.388977       9.791818 
1 1 1 -13 4   8  o 266.656 5.0112  9560.04   357.911   9477.41   505.657   9643.00   506.669   265.498 7.1106  267.814 7.0632  -2.316376      10.02245 
1 1 1 -13 4   9  o 234.279 5.5074  7449.90   325.345   7211.75   560.113   7571.17   399.683   231.211 9.0444  237.348 6.2870  -6.137360      11.01484 
1 1 1 -13 4   10 o 286.200 6.5928  11073.21  476.476   11084.61  583.987   11050.50  824.079   286.845 7.6009  285.556 10.774  1.289612       13.18560 
1 1 1 -13 4   11 o 53.409  1.7797  382.397   25.451    386.638   35.672    377.999   36.324    53.711  2.4795  53.107  2.5536  0.6046295      3.559355 
1 1 1 -13 4   12 o 196.835 3.9064  5209.33   205.952   5178.98   290.753   5239.90   291.771   196.259 5.5310  197.412 5.5180  -1.152908      7.812835 
1 1 1 -13 4   13 o 99.616  2.3185  1330.95   61.861    1319.65   87.055    1342.46   87.920    99.189  3.2767  100.043 3.2810  -0.8533783     4.637061 
1 1 1 -13 4   14 o 151.079 3.1519  3066.62   127.529   3113.69   179.974   3019.15   180.734   152.248 4.4134  149.910 4.5011  2.338165       6.303810 
1 1 1 -13 4   15 o 125.687 2.7358  2121.40   92.075    2168.43   129.854   2073.85   130.576   127.092 3.8146  124.281 3.9225  2.811073       5.471523 
1 1 1 -13 4   16 o 42.961  1.7677  249.053   20.186    266.463   28.202    230.763   28.906    44.520  2.3736  41.402  2.6201  3.117870       3.535414 
1 1 1 -13 4   17 o 73.736  2.0011  729.735   39.494    752.977   55.481    705.861   56.231    74.930  2.7644  72.543  2.8939  2.387032       4.002107 
1 1 1 -13 4   18 o 235.475 4.5481  7484.57   286.854   7463.14   405.230   7506.10   406.118   235.137 6.4342  235.814 6.4297  -0.6770935     9.096158 
1 1 1 -13 4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 4   20 o 130.570 2.8436  2290.83   99.448    2290.72   140.263   2290.94   141.022   130.568 4.0107  130.572 4.0322  -0.3936768E-02 5.687212 
1 1 1 -13 4   21 o 127.986 2.7693  2201.27   94.928    2167.04   133.879   2235.88   134.622   126.983 3.9362  128.989 3.8965  -2.005630      5.538640 
1 1 1 -13 4   22 o 121.624 2.7935  1990.06   90.941    2068.02   128.378   1911.53   128.844   124.027 3.8644  119.221 4.0348  4.805595       5.586907 
1 1 1 -13 4   23 o 106.633 2.4889  1528.66   71.084    1535.95   100.228   1521.27   100.831   106.891 3.5007  106.375 3.5389  0.5165253      4.977832 
1 1 1 -13 4   24 o 34.532  1.8862  161.112   17.270    147.552   24.196    175.194   24.657    33.031  2.7601  36.033  2.5717  -3.001621      3.772497 
1 1 1 -13 4   25 o 67.510  2.0229  612.705   36.577    614.770   51.508    610.604   51.951    67.627  2.8436  67.394  2.8780  0.2325897      4.045807 
1 1 1 -13 4   26 o 57.789  1.9807  450.774   30.522    483.909   42.967    417.021   43.365    59.988  2.6741  55.590  2.9227  4.397697       3.961456 
1 1 1 -13 4   27 o 61.692  2.1586  518.478   35.126    479.979   52.893    548.853   46.982    59.539  3.3301  63.845  2.7474  -4.305969      4.317109 
1 1 1 -13 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 4   29 o 110.875 2.6640  1667.40   78.956    1735.47   116.172   1608.97   107.637   112.940 3.8403  108.810 3.6932  4.130150       5.328017 
1 1 1 -13 4   30 o 41.779  2.1747  240.436   23.592    224.166   36.820    251.768   30.729    40.475  3.4286  43.083  2.6762  -2.608273      4.349384 
1 1 1 -13 4   31 o 84.037  2.4238  965.043   54.086    934.246   81.266    989.531   72.467    82.729  3.6674  85.346  3.1701  -2.616844      4.847629 
1 1 1 -13 4   32 o 39.449  2.1808  211.674   22.461    219.411   35.447    206.483   29.033    39.980  3.3408  38.918  2.8040  1.061546       4.361534 
1 1 1 -13 4   33 o 60.899  2.2304  503.136   35.850    530.111   55.823    484.202   46.768    62.157  3.3655  59.640  2.9277  2.517262       4.460722 
1 1 1 -13 4   34 o 49.317  2.2480  334.095   28.938    336.722   45.755    332.344   37.359    49.350  3.4839  49.285  2.8421  0.6471252E-01  4.496068 
1 1 1 -13 4   35 o 50.115  2.2339  334.461   29.247    414.170   47.416    285.512   37.157    54.736  3.2487  45.494  3.0672  9.242222       4.467873 
1 1 1 -13 4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 4   37 o 38.716  2.4254  209.141   24.130    220.905   39.617    202.203   30.425    39.354  3.8060  38.078  3.0076  1.276409       4.850887 
1 1 1 -13 4   38 o 37.045  2.6199  195.367   24.366    202.067   41.490    191.839   30.104    37.148  4.2460  36.942  3.0702  0.2067108      5.239771 
1 1 1 -13 4   39 o 23.133  3.3802  91.775    19.470    53.567    33.030    112.119   24.102    18.252  5.9148  28.013  3.2740  -9.760744      6.760417 
1 1 1 -13 4   40 o 12.313  3.3576  17.697    14.556    19.271    27.371    17.076    17.187    13.092  5.2087  11.533  4.2383  1.558844       6.715198 
1 1 1 -13 4   41 o 28.621  3.1979  114.409   22.400    162.299   40.721    93.631    26.823    32.337  4.8510  24.905  4.1682  7.432407       6.395856 
1 1 1 -13 4   42 o 15.171  3.7085  35.101    17.002    40.748    32.516    32.976    19.946    15.854  5.8291  14.488  4.5861  1.366079       7.416934 
1 1 1 -13 5   1  o 155.988 3.1260  3263.47   130.415   3040.64   183.480   3491.01   185.406   150.600 4.5486  161.377 4.2894  -10.77757      6.252050 
1 1 1 -13 5   2  o 36.397  1.6126  178.134   15.624    167.164   21.895    189.514   22.301    35.248  2.3324  37.547  2.2275  -2.299038      3.225137 
1 1 1 -13 5   3  o 167.376 3.3404  3756.73   149.740   3814.44   211.606   3698.84   211.925   168.665 4.6839  166.086 4.7639  2.578934       6.680847 
1 1 1 -13 5   4  o 231.003 4.3846  7162.67   271.277   7062.69   383.253   7263.07   384.034   229.384 6.2378  232.622 6.1635  -3.237564      8.769243 
1 1 1 -13 5   5  o 250.090 4.7333  8400.05   317.065   8385.56   448.026   8414.58   448.770   249.874 6.6941  250.306 6.6936  -0.4321136     9.466573 
1 1 1 -13 5   6  o 186.422 3.7137  4663.89   185.406   4755.76   261.929   4571.63   262.478   188.266 5.1943  184.578 5.3091  3.688263       7.427468 
1 1 1 -13 5   7  o 188.360 3.7108  4761.72   187.213   4727.89   264.342   4795.76   265.177   187.688 5.2582  189.032 5.2374  -1.343979      7.421536 
1 1 1 -13 5   8  o 223.402 4.2691  6706.25   255.423   6817.93   360.927   6594.20   361.519   225.272 5.9817  221.532 6.0926  3.740051       8.538184 
1 1 1 -13 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 5   10 o 230.390 4.4316  7141.31   273.446   7252.61   386.415   7029.67   387.008   232.197 6.2131  228.583 6.3210  3.614319       8.863283 
1 1 1 -13 5   11 f 112.474 2.4852  1696.78   74.864    1671.62   105.507   1722.30   106.243   111.633 3.5286  113.314 3.5005  -1.680870      4.970323 
1 1 1 -13 5   12 o 139.652 2.9476  2618.32   110.256   2611.16   155.534   2625.55   156.322   139.461 4.1637  139.844 4.1734  -0.3829498     5.895220 
1 1 1 -13 5   13 o 110.062 2.4950  1625.38   73.534    1574.53   103.545   1677.11   104.446   108.323 3.5688  111.801 3.4878  -3.477867      4.990099 
1 1 1 -13 5   14 o 102.825 2.3597  1418.46   64.983    1392.13   91.477    1445.27   92.329    101.861 3.3528  103.789 3.3212  -1.927734      4.719307 
1 1 1 -13 5   15 o 202.978 3.9977  5548.42   217.345   5531.59   306.918   5565.35   307.829   202.669 5.6539  203.287 5.6534  -0.6176758     7.995463 
1 1 1 -13 5   16 o 155.629 3.2329  3256.77   134.731   3327.56   190.165   3185.41   190.915   157.335 4.5125  153.922 4.6307  3.412460       6.465774 
1 1 1 -13 5   17 o 321.414 6.1462  14034.39  529.105   13869.79  747.671   14199.52  748.864   319.503 8.7367  323.326 8.6472  -3.822632      12.29240 
1 1 1 -13 5   18 o 129.669 2.8078  2258.63   97.515    2230.91   137.380   2286.78   138.441   128.867 3.9801  130.472 3.9615  -1.605499      5.615566 
1 1 1 -13 5   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 5   20 o 73.251  2.0632  720.093   40.468    727.932   56.748    711.982   57.725    73.659  2.8763  72.843  2.9586  0.8153076      4.126321 
1 1 1 -13 5   21 o 47.340  1.8258  301.436   23.060    296.101   32.295    306.986   32.938    46.912  2.5801  47.769  2.5840  -0.8568420     3.651535 
1 1 1 -13 5   22 o 67.749  2.0112  616.646   36.465    636.414   51.120    596.167   52.032    68.859  2.7717  66.638  2.9151  2.220718       4.022445 
1 1 1 -13 5   23 o 115.751 2.6248  1803.10   81.373    1812.73   114.734   1793.36   115.428   116.065 3.6906  115.437 3.7332  0.6283493      5.249516 
1 1 1 -13 5   24 o 147.032 3.1087  2919.39   122.419   2949.96   172.779   2888.57   173.478   147.814 4.3640  146.250 4.4285  1.563705       6.217427 
1 1 1 -13 5   25 o 93.353  2.3086  1173.71   57.723    1176.76   81.303    1170.62   81.967    93.478  3.2472  93.228  3.2825  0.2498856      4.617266 
1 1 1 -13 5   26 o 69.312  2.0635  647.206   38.296    662.022   53.949    632.157   54.371    70.118  2.8725  68.506  2.9631  1.611649       4.126936 
1 1 1 -13 5   27 o 84.015  2.2461  954.066   50.487    1001.37   71.150    906.090   71.651    86.134  3.0840  81.895  3.2665  4.239059       4.492297 
1 1 1 -13 5   28 o 27.492  2.2723  99.951    15.825    90.851    19.554    117.223   26.939    25.782  2.8809  29.202  3.5147  -3.420195      4.544537 
1 1 1 -13 5   29 o 68.686  2.0598  638.121   37.883    616.639   53.245    660.144   53.912    67.508  2.9446  69.864  2.8810  -2.356056      4.119607 
1 1 1 -13 5   30 o 75.454  2.1518  772.245   43.480    782.494   61.159    761.772   61.826    75.972  3.0055  74.937  3.0803  1.035599       4.303624 
1 1 1 -13 5   31 o 83.281  2.2682  943.719   50.565    900.989   71.162    987.292   71.861    81.353  3.2658  85.209  3.1486  -3.855988      4.536421 
1 1 1 -13 5   32 o 91.718  3.0932  1169.81   69.393    1158.56   125.845   1174.72   83.182    90.707  5.2014  92.728  3.3491  -2.021088      6.186363 
1 1 1 -13 5   33 f 10.882  2.9347  9.2983    11.310    20.422    20.235    4.2449    13.639    12.908  4.6189  8.8571  3.6216  4.050601       5.869402 
1 1 1 -13 5   34 o 42.288  2.2286  239.714   24.606    284.751   39.681    211.577   31.365    45.384  3.2865  39.191  3.0109  6.192871       4.457207 
1 1 1 -13 5   35 o 34.879  3.0103  168.535   27.847    0.0000    0.0000    168.535   27.847    ?       ?       34.879  3.0103  ?              ?        
1 1 1 -13 5   36 o 29.466  2.6129  121.921   19.248    129.433   32.712    117.942   23.805    29.910  4.1989  29.021  3.1109  0.8886719      5.225767 
1 1 1 -13 5   37 o 9.7946  2.8833  4.9659    12.588    -10.1756  22.922    11.504    15.062    9.2858  4.2207  10.303  3.9294  -1.017656      5.766621 
1 1 1 -13 5   38 o 19.542  3.3831  58.589    16.821    58.747    29.464    58.513    20.488    19.237  5.4629  19.847  3.9924  -0.6102810     6.766261 
1 1 1 -13 5   39 o 18.861  3.4665  49.952    16.896    76.627    30.282    37.893    20.361    21.999  5.2180  15.724  4.5650  6.275037       6.933040 
1 1 1 -13 5   40 o 14.965  3.4919  27.304    15.563    55.405    28.894    15.820    18.471    18.477  5.4593  11.453  4.3552  7.024332       6.983738 
1 1 1 -13 5   41 o 32.678  3.0156  151.486   24.271    195.321   43.987    132.298   29.103    35.436  4.7543  29.920  3.7111  5.515776       6.031235 
1 1 1 -13 5   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 6   1  o 378.262 7.0382  19274.91  712.822   19876.96  1007.96   18672.57  1008.20   384.206 9.7947  372.318 10.110  11.88788       14.07643 
1 1 1 -13 6   2  o 262.830 5.0231  9278.96   353.616   9319.78   500.117   9238.15   500.061   263.410 7.0884  262.250 7.1190  1.159515       10.04618 
1 1 1 -13 6   3  o 306.651 5.7423  12645.37  471.630   12521.89  666.965   12768.87  667.005   305.147 8.1603  308.154 8.0811  -3.006958      11.48454 
1 1 1 -13 6   4  o 55.041  1.7568  405.905   25.898    411.424   36.638    400.395   36.612    55.415  2.4684  54.667  2.5004  0.7480583      3.513579 
1 1 1 -13 6   5  o 178.946 3.5102  4296.23   168.239   4249.94   237.731   4342.68   238.121   177.979 4.9869  179.913 4.9413  -1.934448      7.020390 
1 1 1 -13 6   6  o 321.621 5.9814  13933.44  515.263   14010.72  728.493   13856.08  728.892   322.519 8.4330  320.723 8.4848  1.796082       11.96276 
1 1 1 -13 6   7  o 289.325 5.4492  11271.28  422.283   11307.02  596.958   11235.49  597.439   289.787 7.6909  288.862 7.7217  0.9242249      10.89837 
1 1 1 -13 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 6   9  o 328.026 6.0952  14534.33  535.533   14528.91  757.015   14539.77  757.701   327.966 8.6176  328.087 8.6222  -0.1210022     12.19041 
1 1 1 -13 6   10 o 164.584 3.2724  3637.66   144.254   3597.72   203.652   3677.87   204.361   163.675 4.6453  165.492 4.6103  -1.816574      6.544787 
1 1 1 -13 6   11 o 239.990 4.6167  7760.12   296.765   7717.32   419.300   7803.07   420.079   239.325 6.5411  240.656 6.5170  -1.331314      9.233433 
1 1 1 -13 6   12 o 71.390  1.9739  683.843   37.716    709.798   53.109    657.435   53.571    72.760  2.7252  70.020  2.8564  2.739098       3.947820 
1 1 1 -13 6   13 o 139.227 2.9607  2603.44   110.408   2583.79   155.784   2623.27   156.499   138.699 4.1934  139.756 4.1807  -1.056793      5.921391 
1 1 1 -13 6   14 o 95.807  2.2675  1231.41   58.184    1213.94   81.957    1249.16   82.615    95.121  3.2168  96.492  3.1965  -1.371071      4.534899 
1 1 1 -13 6   15 o 122.576 2.6289  2017.22   86.301    1976.25   121.685   2058.69   122.414   121.321 3.7447  123.830 3.6907  -2.509300      5.257763 
1 1 1 -13 6   16 o 270.667 5.1581  9910.61   373.945   9834.33   528.416   9987.13   529.262   269.616 7.3171  271.719 7.2721  -2.103241      10.31623 
1 1 1 -13 6   17 o 87.976  2.1658  1038.36   51.033    1027.39   71.781    1049.57   72.568    87.507  3.0625  88.446  3.0632  -0.9393768     4.331578 
1 1 1 -13 6   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 6   19 o 98.762  2.3511  1309.29   62.184    1275.88   87.524    1343.34   88.366    97.488  3.3519  100.036 3.2979  -2.548080      4.702255 
1 1 1 -13 6   20 o 104.325 2.4581  1461.77   68.686    1460.17   96.736    1463.40   97.541    104.269 3.4637  104.382 3.4888  -0.1130905     4.916213 
1 1 1 -13 6   21 o 107.387 2.4984  1549.71   71.861    1548.91   101.216   1550.52   102.041   107.361 3.5198  107.414 3.5467  -0.5303955E-01 4.996796 
1 1 1 -13 6   22 o 92.629  2.3027  1154.06   57.076    1205.94   80.445    1101.48   80.995    94.735  3.1703  90.522  3.3405  4.212425       4.605399 
1 1 1 -13 6   23 o 40.731  1.9357  225.222   20.835    252.478   29.201    196.956   29.737    43.290  2.5294  38.172  2.9309  5.118282       3.871402 
1 1 1 -13 6   24 f 147.585 3.1231  2945.26   123.455   2952.95   174.252   2937.52   174.933   147.783 4.4021  147.387 4.4312  0.3957672      6.246159 
1 1 1 -13 6   25 o 54.877  1.9583  406.315   28.682    428.075   40.328    384.041   40.802    56.413  2.6689  53.340  2.8664  3.073784       3.916548 
1 1 1 -13 6   26 o 17.848  2.3310  45.026    10.642    54.041    14.825    35.439    15.287    19.823  2.8761  15.873  3.6690  3.949716       4.661973 
1 1 1 -13 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 6   28 o 54.764  1.9427  405.575   28.447    404.962   39.965    406.204   40.500    54.760  2.7248  54.768  2.7698  -0.8255005E-02 3.885352 
1 1 1 -13 6   29 o 35.534  1.9037  171.599   17.980    169.442   25.108    173.870   25.759    35.307  2.6749  35.761  2.7094  -0.4541359     3.807366 
1 1 1 -13 6   30 o 87.390  2.2642  1038.29   52.977    1000.07   74.625    1077.12   75.221    85.749  3.2491  89.030  3.1544  -3.281357      4.528454 
1 1 1 -13 6   31 o 64.709  2.0725  569.211   35.901    587.837   50.612    550.349   50.933    65.794  2.8720  63.625  2.9887  2.168907       4.144985 
1 1 1 -13 6   32 o 51.677  1.9941  364.294   27.494    358.131   38.705    370.570   39.063    51.231  2.8317  52.123  2.8083  -0.8924141     3.988119 
1 1 1 -13 6   33 o 44.286  1.9807  268.666   23.362    275.472   32.848    261.699   33.233    44.875  2.7461  43.697  2.8551  1.177483       3.961417 
1 1 1 -13 6   34 o 29.489  2.1667  121.285   16.731    135.852   23.563    106.473   23.762    31.375  2.8345  27.604  3.2779  3.771694       4.333434 
1 1 1 -13 6   35 o 59.533  2.9754  488.898   47.445    488.898   47.445    0.0000    0.0000    59.533  2.9754  ?       ?       ?              ?        
1 1 1 -13 6   36 o 46.702  2.3591  296.912   28.574    350.281   47.190    266.016   35.905    49.769  3.5636  43.634  3.0922  6.135536       4.718117 
1 1 1 -13 6   37 o 22.848  3.1249  73.899    17.662    94.212    30.772    63.920    21.568    24.910  4.7860  20.786  4.0193  4.123798       6.249802 
1 1 1 -13 6   38 o 29.186  3.2040  134.900   22.020    107.090   37.515    149.518   27.199    25.923  5.5691  32.449  3.1699  -6.526077      6.408042 
1 1 1 -13 6   39 o 25.167  3.2846  91.479    20.202    114.947   36.072    80.755    24.386    27.073  5.1630  23.261  4.0617  3.811365       6.569150 
1 1 1 -13 6   40 o 24.910  3.4467  92.204    20.845    113.747   37.741    82.747    25.005    26.435  5.5090  23.386  4.1437  3.048555       6.893420 
1 1 1 -13 6   41 o 22.725  4.1683  79.593    24.437    0.0000    0.0000    79.593    24.437    ?       ?       22.725  4.1683  ?              ?        
1 1 1 -13 7   1  o 179.881 3.5653  4341.26   171.752   4421.77   242.528   4260.26   243.262   181.557 4.9872  178.204 5.0964  3.352890       7.130650 
1 1 1 -13 7   2  o 197.866 3.8876  5254.15   206.034   5282.12   291.401   5226.18   291.352   198.394 5.4837  197.338 5.5121  1.055405       7.775239 
1 1 1 -13 7   3  o 244.161 4.6481  8008.99   303.975   8028.34   430.089   7989.68   429.683   244.456 6.5685  243.866 6.5782  0.5904541      9.296151 
1 1 1 -13 7   4  o 263.760 5.0035  9353.96   353.474   9256.42   499.938   9451.46   499.837   262.380 7.1137  265.141 7.0382  -2.760986      10.00708 
1 1 1 -13 7   5  o 371.283 6.9248  18614.48  688.652   18702.84  974.031   18526.17  973.772   372.170 9.7711  370.395 9.8153  1.775635       13.84969 
1 1 1 -13 7   6  o 90.738  2.1775  1103.65   52.922    1104.63   74.835    1102.66   74.850    90.778  3.0778  90.697  3.0811  0.8100891E-01  4.354997 
1 1 1 -13 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 7   8  o 283.097 5.3743  10807.38  407.504   10897.69  576.170   10716.98  576.424   284.289 7.5666  281.905 7.6340  2.383942       10.74854 
1 1 1 -13 7   9  o 154.901 3.1619  3221.83   131.188   3210.43   185.321   3233.28   185.734   154.626 4.4746  155.176 4.4687  -0.5498962     6.323855 
1 1 1 -13 7   10 o 146.046 3.0561  2864.53   119.536   2910.01   168.846   2818.84   169.253   147.212 4.2821  144.881 4.3615  2.331650       6.112207 
1 1 1 -13 7   11 o 162.076 3.2974  3529.93   143.147   3532.67   202.138   3527.17   202.745   162.141 4.6544  162.012 4.6721  0.1283417      6.594883 
1 1 1 -13 7   12 o 238.210 4.6542  7653.89   296.947   7582.80   419.530   7725.26   420.365   237.095 6.6062  239.324 6.5577  -2.229355      9.308330 
1 1 1 -13 7   13 f 183.913 3.7238  4551.84   183.430   4491.99   258.996   4612.07   259.825   182.695 5.2927  185.130 5.2398  -2.434784      7.447695 
1 1 1 -13 7   14 f 204.471 4.0350  5632.56   220.987   5609.19   312.113   5656.06   312.933   204.044 5.7108  204.897 5.7020  -0.8526459     8.070086 
1 1 1 -13 7   15 o 55.315  1.8321  410.379   27.139    414.313   38.082    406.320   38.686    55.586  2.5578  55.045  2.6239  0.5405884      3.664300 
1 1 1 -13 7   16 o 157.934 3.2226  3354.05   136.319   3310.23   192.374   3398.25   193.197   156.895 4.5777  158.973 4.5372  -2.077927      6.445287 
1 1 1 -13 7   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 7   18 o 221.520 4.2834  6623.15   254.144   6561.62   358.965   6684.98   359.864   220.483 6.0784  222.558 6.0368  -2.074829      8.566770 
1 1 1 -13 7   19 o 61.094  1.9103  500.856   31.251    510.268   43.980    491.256   44.415    61.675  2.6623  60.512  2.7403  1.162891       3.820586 
1 1 1 -13 7   20 o 59.944  1.9458  482.097   31.237    471.596   43.854    492.913   44.507    59.281  2.7619  60.607  2.7417  -1.325928      3.891604 
1 1 1 -13 7   21 o 113.149 2.5739  1722.08   77.996    1746.22   109.940   1697.62   110.671   113.953 3.6020  112.346 3.6778  1.606728       5.147844 
1 1 1 -13 7   22 o 47.419  1.8804  302.828   23.783    295.580   33.361    310.321   33.916    46.839  2.6702  47.999  2.6483  -1.159702      3.760764 
1 1 1 -13 7   23 o 107.826 2.5535  1567.34   73.712    1616.97   103.923   1517.10   104.568   109.557 3.5415  106.095 3.6797  3.462204       5.107093 
1 1 1 -13 7   24 o 30.486  1.9162  126.591   15.392    138.723   21.508    113.856   22.037    32.026  2.5279  28.946  2.8805  3.079821       3.832450 
1 1 1 -13 7   25 o 44.532  1.9060  268.529   22.573    284.935   31.623    251.483   32.234    45.944  2.5801  43.121  2.8061  2.822601       3.812000 
1 1 1 -13 7   26 o 53.185  4.3019  387.471   60.758    0.0000    0.0000    387.471   60.758    ?       ?       53.185  4.3019  ?              ?        
1 1 1 -13 7   27 f 68.431  2.0489  632.819   37.553    632.771   52.825    632.868   53.395    68.432  2.8820  68.430  2.9132  0.1403809E-02  4.097857 
1 1 1 -13 7   28 o 66.813  2.0530  605.703   36.617    658.880   51.604    551.774   51.967    69.808  2.7599  63.818  3.0401  5.989899       4.106003 
1 1 1 -13 7   29 o 90.856  2.3517  1123.20   57.213    1148.18   80.617    1097.84   81.210    91.895  3.2752  89.816  3.3757  2.079239       4.703461 
1 1 1 -13 7   30 o 59.125  1.9962  474.086   31.603    457.942   44.338    490.759   45.057    58.095  2.8494  60.155  2.7965  -2.059940      3.992368 
1 1 1 -13 7   31 o 47.027  1.9805  301.673   24.823    309.346   34.978    293.888   35.234    47.646  2.7525  46.408  2.8483  1.237923       3.960983 
1 1 1 -13 7   32 o 74.462  2.2027  758.595   43.930    748.064   61.849    769.318   62.409    73.936  3.1231  74.988  3.1072  -1.051147      4.405482 
1 1 1 -13 7   33 o 66.563  2.1450  608.595   38.192    639.542   53.767    577.079   54.260    68.322  2.9381  64.803  3.1260  3.518341       4.290035 
1 1 1 -13 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 7   35 o 44.881  2.0674  279.723   24.700    283.742   34.476    275.485   35.404    45.248  2.8594  44.515  2.9867  0.7336464      4.134762 
1 1 1 -13 7   36 o 26.715  2.3964  104.112   16.114    129.585   22.451    77.044    23.143    30.470  2.7816  22.960  3.9030  7.510622       4.792730 
1 1 1 -13 7   37 o 19.728  2.8160  59.775    14.362    79.105    19.908    38.796    20.739    23.506  3.2488  15.951  4.6005  7.555079       5.631966 
1 1 1 -13 7   38 o 44.873  2.1467  284.934   25.561    304.142   35.728    264.793   36.586    46.547  2.8798  43.200  3.1843  3.346474       4.293343 
1 1 1 -13 7   39 o 23.612  3.5088  96.137    20.186    65.078    36.038    110.337   24.368    19.594  6.1598  27.630  3.3619  -8.035910      7.017534 
1 1 1 -13 7   40 o 21.879  3.5728  77.916    19.247    75.645    35.308    78.876    22.958    20.873  5.9976  22.885  3.8842  -2.012583      7.145504 
1 1 1 -13 7   41 o 27.983  5.7524  135.961   41.675    135.961   41.675    0.0000    0.0000    27.983  5.7524  ?       ?       ?              ?        
1 1 1 -13 8   1  o 53.096  1.7381  377.743   24.717    379.000   34.797    376.464   35.116    53.185  2.4427  53.006  2.4733  0.1785088      3.476195 
1 1 1 -13 8   2  o 364.983 6.8524  17979.13  669.782   17606.05  946.891   18352.71  947.539   361.165 9.7883  368.801 9.5922  -7.635803      13.70472 
1 1 1 -13 8   3  o 184.857 3.7445  4587.69   185.404   4604.70   262.394   4570.72   262.009   185.199 5.2896  184.514 5.3015  0.6855774      7.489046 
1 1 1 -13 8   4  o 121.362 2.6373  1975.12   85.729    1978.98   121.428   1971.28   121.050   121.480 3.7319  121.243 3.7275  0.2365494      5.274575 
1 1 1 -13 8   5  o 305.676 5.7356  12599.13  469.604   12610.39  664.304   12587.88  663.936   305.813 8.1100  305.539 8.1128  0.2736816      11.47125 
1 1 1 -13 8   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 8   7  o 238.905 4.6312  7684.88   296.350   7679.34   419.052   7690.42   419.153   238.818 6.5511  238.991 6.5479  -0.1728210     9.262371 
1 1 1 -13 8   8  o 149.057 3.0997  2983.36   123.753   2961.24   174.874   3005.54   175.151   148.503 4.3965  149.612 4.3708  -1.109009      6.199394 
1 1 1 -13 8   9  f 28.604  1.6723  110.797   12.619    97.342    17.823    124.323   17.869    26.830  2.5091  30.377  2.2114  -3.546242      3.344584 
1 1 1 -13 8   10 o 197.814 3.8908  5265.71   206.149   5257.71   291.348   5273.72   291.731   197.663 5.5030  197.964 5.5018  -0.3009796     7.781554 
1 1 1 -13 8   11 o 54.934  1.8310  404.969   26.912    425.715   37.977    384.042   38.142    56.351  2.5161  53.518  2.6608  2.832420       3.662083 
1 1 1 -13 8   12 o 257.861 4.9238  8982.42   340.027   9154.80   480.779   8809.92   480.962   260.358 6.8942  255.364 7.0317  4.994293       9.847624 
1 1 1 -13 8   13 o 189.856 3.7874  4853.22   192.588   4901.70   272.150   4804.59   272.572   190.811 5.3249  188.900 5.3872  1.911118       7.574725 
1 1 1 -13 8   14 o 117.790 2.6431  1863.38   83.378    1894.80   117.673   1831.69   118.157   118.790 3.6983  116.789 3.7772  2.001587       5.286285 
1 1 1 -13 8   15 o 196.292 3.9090  5191.46   205.519   5220.92   290.312   5161.85   290.985   196.856 5.5059  195.729 5.5504  1.126328       7.818066 
1 1 1 -13 8   16 f 209.529 5.0680  5963.37   268.481   5870.65   461.505   6010.80   330.086   207.930 8.2865  211.128 5.8370  -3.197266      10.13591 
1 1 1 -13 8   17 o 164.844 3.4408  3658.05   151.901   3721.54   214.436   3594.11   215.208   166.289 4.8145  163.400 4.9172  2.888992       6.881699 
1 1 1 -13 8   18 o 73.473  2.0887  724.831   41.082    747.412   57.809    701.792   58.392    74.633  2.8918  72.313  3.0147  2.319618       4.177490 
1 1 1 -13 8   19 o 175.962 3.5726  4175.60   168.323   4297.10   237.798   4053.58   238.292   178.546 4.9724  173.377 5.1313  5.169373       7.145294 
1 1 1 -13 8   20 o 111.871 2.5590  1682.96   76.676    1691.30   108.109   1674.52   108.766   112.152 3.5989  111.590 3.6390  0.5626907      5.118017 
1 1 1 -13 8   21 o 20.547  2.2277  58.252    11.798    65.648    16.720    50.918    16.651    21.913  2.9215  19.180  3.3637  2.733032       4.455332 
1 1 1 -13 8   22 o 89.212  2.3085  1071.98   55.107    1120.71   77.646    1022.54   78.223    91.268  3.1762  87.156  3.3508  4.111565       4.616935 
1 1 1 -13 8   23 o 59.216  1.9547  471.525   30.989    451.566   43.480    492.130   44.180    57.940  2.8017  60.493  2.7266  -2.553391      3.909495 
1 1 1 -13 8   24 o 43.928  1.8621  260.488   21.800    250.535   30.531    270.841   31.138    43.065  2.6599  44.790  2.6068  -1.724911      3.724282 
1 1 1 -13 8   25 o 15.407  2.4535  33.639    9.9227    39.484    13.832    27.440    14.243    16.826  3.1857  13.988  3.7323  2.838093       4.907031 
1 1 1 -13 8   26 o 59.264  2.3972  487.123   35.807    510.743   44.603    444.309   60.051    61.521  2.7068  57.007  3.9573  4.514824       4.794485 
1 1 1 -13 8   27 o 35.214  1.9439  170.035   18.000    191.993   25.075    146.691   25.854    37.639  2.5014  32.789  2.9762  4.849625       3.887810 
1 1 1 -13 8   28 o 102.841 2.5034  1441.15   68.948    1463.02   97.198    1419.01   97.820    103.646 3.5012  102.037 3.5792  1.609261       5.006865 
1 1 1 -13 8   29 o 31.531  1.9894  135.510   16.588    124.152   22.907    148.033   24.054    30.121  2.8741  32.942  2.7513  -2.820074      3.978752 
1 1 1 -13 8   30 o 22.485  2.1954  70.036    12.861    67.734    17.815    72.543    18.586    22.095  3.0951  22.875  3.1144  -0.7797318     4.390818 
1 1 1 -13 8   31 o 50.521  2.0344  350.387   27.268    385.381   38.240    314.184   38.895    53.169  2.6939  47.872  3.0492  5.296413       4.068752 
1 1 1 -13 8   32 o 31.284  2.0999  134.924   17.147    109.295   23.592    163.625   24.966    28.039  3.1987  34.530  2.7214  -6.491217      4.199718 
1 1 1 -13 8   33 o 29.997  2.2722  126.200   17.784    108.159   25.180    144.158   25.122    27.728  3.4661  32.267  2.9390  -4.538836      4.544399 
1 1 1 -13 8   34 o 42.393  2.0611  249.784   23.188    264.690   32.320    233.972   33.288    43.774  2.7709  41.012  3.0521  2.762100       4.122282 
1 1 1 -13 8   35 o 10.584  2.7839  12.806    10.516    10.258    14.098    16.002    15.788    9.8958  3.7949  11.273  4.0743  -1.377258      5.567846 
1 1 1 -13 8   36 o 8.5378  2.3166  -9.4935   9.8558    -35.1516  13.363    21.111    14.595    4.9079  2.4530  12.168  3.9305  -7.259657      4.633119 
1 1 1 -13 8   37 o 29.852  2.3110  127.162   18.158    124.659   25.031    129.942   26.381    29.571  3.2119  30.134  3.3237  -0.5630608     4.622074 
1 1 1 -13 8   38 o 22.546  2.6727  75.048    15.565    77.555    22.248    72.645    21.785    22.937  3.7510  22.155  3.8083  0.7820206      5.345397 
1 1 1 -13 8   39 f 22.630  2.8468  77.071    16.451    58.299    22.490    98.674    24.126    19.349  4.4344  25.910  3.5713  -6.561041      5.693681 
1 1 1 -13 8   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 9   1  o 335.073 6.2645  15148.12  562.230   15062.18  794.619   15234.29  795.608   334.116 8.8792  336.030 8.8396  -1.914551      12.52909 
1 1 1 -13 9   2  o 109.791 2.4800  1616.36   72.925    1594.48   103.066   1638.29   103.197   109.046 3.5287  110.536 3.4856  -1.489838      4.959959 
1 1 1 -13 9   3  o 240.096 4.6542  7756.04   299.303   7717.52   423.449   7794.50   423.109   239.497 6.6010  240.695 6.5629  -1.197891      9.308341 
1 1 1 -13 9   4  o 151.121 6.2935  3072.49   254.746   0.0000    0.0000    3072.49   254.746   ?       ?       151.121 6.2935  ?              ?        
1 1 1 -13 9   5  o 251.443 6.8465  8566.16   461.072   8553.06   655.506   8578.99   648.658   251.236 9.7411  251.651 9.6234  -0.4158783     13.69298 
1 1 1 -13 9   6  o 144.826 2.9916  2815.74   116.044   2849.07   164.286   2782.54   163.937   145.683 4.2102  143.968 4.2513  1.714310       5.983254 
1 1 1 -13 9   7  o 122.652 2.6601  2018.81   87.388    2029.33   123.680   2008.32   123.492   122.971 3.7550  122.332 3.7689  0.6394119      5.320151 
1 1 1 -13 9   8  o 121.903 2.6616  1994.53   86.903    1987.59   122.885   2001.48   122.914   121.690 3.7701  122.116 3.7579  -0.4253464     5.323105 
1 1 1 -13 9   9  o 161.220 3.2730  3493.19   141.335   3486.53   199.758   3499.87   199.997   161.066 4.6303  161.374 4.6270  -0.3080597     6.545923 
1 1 1 -13 9   10 o 300.819 5.7435  12257.52  462.764   12342.38  654.318   12172.59  654.576   301.874 8.0924  299.765 8.1525  2.108582       11.48691 
1 1 1 -13 9   11 o 253.957 4.8733  8712.22   331.449   8548.65   468.382   8876.30   469.098   251.551 6.9516  256.364 6.8315  -4.813400      9.746518 
1 1 1 -13 9   12 o 53.720  1.8115  387.112   26.053    398.559   36.736    375.527   36.955    54.520  2.5156  52.919  2.6072  1.601055       3.622951 
1 1 1 -13 9   13 o 71.726  2.0319  690.069   39.036    686.080   54.974    694.126   55.439    71.517  2.8698  71.935  2.8773  -0.4178467     4.063860 
1 1 1 -13 9   14 o 207.061 4.0535  5779.54   224.810   5763.33   317.623   5795.81   318.238   206.769 5.7351  207.352 5.7300  -0.5831299     8.107016 
1 1 1 -13 9   15 o 161.640 3.2964  3515.16   142.673   3404.62   201.435   3626.44   202.106   159.080 4.7275  164.201 4.5953  -5.121063      6.592878 
1 1 1 -13 9   16 o 97.419  2.8211  1283.81   69.742    1302.43   86.187    1248.49   118.700   98.503  3.2666  96.334  4.6003  2.169670       5.642113 
1 1 1 -13 9   17 o 132.505 2.8292  2360.14   100.406   2326.49   141.645   2394.13   142.349   131.554 4.0198  133.457 3.9822  -1.903320      5.658363 
1 1 1 -13 9   18 o 83.760  2.1906  941.948   49.144    941.260   69.122    942.651   69.883    83.730  3.0821  83.790  3.1138  -0.5964661E-01 4.381218 
1 1 1 -13 9   19 o 137.896 2.9528  2560.35   109.062   2564.26   153.862   2556.41   154.615   138.004 4.1625  137.788 4.1894  0.2162781      5.905683 
1 1 1 -13 9   20 o 69.821  2.0237  654.777   37.825    625.477   53.108    684.942   53.885    68.233  2.9059  71.409  2.8173  -3.176598      4.047368 
1 1 1 -13 9   21 o 98.490  2.3621  1305.53   62.311    1291.22   87.673    1320.13   88.576    97.945  3.3419  99.036  3.3391  -1.090714      4.724215 
1 1 1 -13 9   22 o 119.558 2.7018  1929.60   86.511    1887.63   121.903   1972.19   122.791   118.241 3.8491  120.874 3.7927  -2.633713      5.403685 
1 1 1 -13 9   23 o 26.088  2.0031  92.710    13.711    82.691    19.129    103.296   19.663    24.601  2.9626  27.575  2.6967  -2.973518      4.006158 
1 1 1 -13 9   24 o 53.735  1.9415  390.056   27.848    383.957   39.083    396.346   39.690    53.307  2.7466  54.162  2.7449  -0.8556671     3.883071 
1 1 1 -13 9   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 9   26 o 29.306  1.9751  117.094   15.245    103.741   21.236    131.291   21.897    27.542  2.9233  31.069  2.6568  -3.527103      3.950264 
1 1 1 -13 9   27 o 14.582  2.5708  30.140    10.004    31.038    13.839    29.157    14.478    14.808  3.5377  14.356  3.7309  0.4522467      5.141507 
1 1 1 -13 9   28 o 33.584  1.9621  153.383   17.450    139.987   24.036    168.313   25.376    32.015  2.8322  35.152  2.7162  -3.137569      3.924139 
1 1 1 -13 9   29 o 14.553  2.6120  29.494    10.408    20.421    14.119    40.291    15.402    12.244  3.8566  16.862  3.5237  -4.618863      5.223999 
1 1 1 -13 9   30 o 39.217  1.9943  210.334   20.797    209.797   28.931    210.908   29.917    39.178  2.7749  39.256  2.8651  -0.7801056E-01 3.988594 
1 1 1 -13 9   31 o 10.350  2.6857  12.186    9.7785    13.867    13.309    10.213    14.414    10.618  3.7516  10.082  3.8441  0.5360050      5.371390 
1 1 1 -13 9   32 o 19.390  2.5378  53.713    12.694    52.398    17.878    55.050    18.026    19.135  3.6208  19.645  3.5568  -0.5097160     5.075543 
1 1 1 -13 9   33 o 16.362  3.6870  38.890    15.771    38.890    15.771    0.0000    0.0000    16.362  3.6870  ?       ?       ?              ?        
1 1 1 -13 9   34 o 24.461  2.3854  84.520    15.041    69.647    20.398    102.243   22.266    21.993  3.5863  26.929  3.1463  -4.936604      4.770789 
1 1 1 -13 9   35 o 29.638  2.2663  123.883   17.444    100.040   23.813    151.493   25.625    26.420  3.4473  32.856  2.9430  -6.436407      4.532634 
1 1 1 -13 9   36 o 15.324  3.0223  35.517    13.050    42.493    18.379    28.421    18.534    16.786  4.1186  13.862  4.4242  2.923899       6.044543 
1 1 1 -13 9   37 o 11.747  2.9818  17.449    12.133    10.952    16.505    25.088    17.898    10.366  4.0697  13.128  4.3591  -2.762286      5.963578 
1 1 1 -13 9   38 o 10.835  2.5273  3.1228    12.056    36.603    16.937    -31.2616  17.164    15.480  4.0413  6.1904  3.0360  9.289849       5.054641 
1 1 1 -13 9   39 o 10.600  4.1353  12.874    16.955    0.0000    0.0000    12.874    16.955    ?       ?       10.600  4.1353  ?              ?        
1 1 1 -13 10  1  o 216.064 4.1997  6277.78   243.046   6282.16   343.357   6273.38   344.082   216.141 5.9309  215.987 5.9476  0.1535645      8.399410 
1 1 1 -13 10  2  o 267.369 7.2328  9695.81   517.963   9625.05   729.632   9767.68   735.422   266.387 10.226  268.352 10.232  -1.964569      14.46564 
1 1 1 -13 10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 10  4  o 325.825 6.1669  14365.71  538.164   14202.21  761.212   14529.09  760.945   323.951 8.7728  327.698 8.6694  -3.746796      12.33371 
1 1 1 -13 10  5  o 179.692 3.5903  4340.65   172.790   4407.89   244.629   4273.70   244.094   181.085 5.0435  178.299 5.1112  2.786621       7.180625 
1 1 1 -13 10  6  o 124.317 2.7012  2074.49   89.941    2057.79   127.328   2091.12   127.064   123.816 3.8394  124.817 3.8007  -1.001457      5.402391 
1 1 1 -13 10  7  o 72.589  1.9687  706.547   38.276    710.717   54.232    702.407   54.030    72.802  2.7811  72.375  2.7871  0.4271011      3.937376 
1 1 1 -13 10  8  o 175.438 3.5459  4139.75   166.622   4170.87   235.768   4108.71   235.511   176.099 4.9985  174.777 5.0308  1.321884       7.091811 
1 1 1 -13 10  9  o 136.127 2.8855  2489.20   105.200   2452.44   148.742   2525.98   148.808   135.118 4.1099  137.135 4.0512  -2.016937      5.770939 
1 1 1 -13 10  10 f 225.647 4.4156  6868.90   266.857   6967.72   377.398   6770.08   377.388   227.282 6.1993  224.012 6.2897  3.269928       8.831275 
1 1 1 -13 10  11 o 32.628  1.7436  143.542   15.124    141.145   21.273    145.991   21.506    32.351  2.4738  32.906  2.4578  -0.5553780     3.487224 
1 1 1 -13 10  12 o 143.040 3.0269  2750.24   115.964   2779.03   163.828   2721.32   164.168   143.793 4.2536  142.286 4.3076  1.507385       6.053849 
1 1 1 -13 10  13 o 139.593 2.9624  2620.29   110.687   2731.33   156.430   2508.96   156.640   142.568 4.0965  136.619 4.2806  5.948059       5.924880 
1 1 1 -13 10  14 f 120.452 3.3487  2017.86   100.753   1759.74   171.434   2154.07   124.528   114.257 5.6017  126.647 3.6710  -12.38910      6.697437 
1 1 1 -13 10  15 o 124.730 3.3083  2074.12   105.263   2031.32   129.706   2156.71   180.160   122.949 3.9386  126.512 5.3167  -3.562347      6.616619 
1 1 1 -13 10  16 o 205.279 4.0163  5686.74   220.831   5704.04   312.004   5669.37   312.600   205.596 5.6657  204.962 5.6941  0.6336060      8.032663 
1 1 1 -13 10  17 o 85.939  2.2175  991.638   51.042    981.732   71.890    1001.71   72.482    85.506  3.1389  86.372  3.1331  -0.8659286     4.434963 
1 1 1 -13 10  18 o 133.681 2.9272  2406.44   104.795   2446.64   147.935   2365.95   148.473   134.809 4.0970  132.553 4.1818  2.255920       5.854299 
1 1 1 -13 10  19 o 94.393  2.3345  1198.11   59.022    1187.21   83.179    1209.16   83.762    93.960  3.3051  94.826  3.2979  -0.8653717     4.668982 
1 1 1 -13 10  20 o 95.156  2.3449  1218.57   59.759    1195.27   84.162    1242.26   84.865    94.236  3.3343  96.076  3.2978  -1.839951      4.689717 
1 1 1 -13 10  21 o 91.474  2.3498  1128.12   57.530    1172.49   81.096    1083.18   81.627    93.299  3.2451  89.650  3.3993  3.648750       4.699602 
1 1 1 -13 10  22 o 35.143  1.8750  167.191   17.399    143.558   24.202    192.469   25.030    32.536  2.8046  37.750  2.4895  -5.214287      3.750082 
1 1 1 -13 10  23 o 47.867  1.8998  309.666   24.254    310.919   34.001    308.367   34.609    47.971  2.6565  47.764  2.7164  0.2074547      3.799517 
1 1 1 -13 10  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 10  25 o 40.144  1.8959  218.564   20.264    217.375   28.310    219.814   29.019    40.037  2.6550  40.252  2.7073  -0.2150421     3.791878 
1 1 1 -13 10  26 o 17.217  2.4475  41.832    10.899    30.353    15.102    54.310    15.745    14.644  3.8128  19.789  3.0699  -5.145350      4.895078 
1 1 1 -13 10  27 o 27.683  2.0666  105.112   15.079    107.033   21.054    103.088   21.608    27.960  2.8511  27.405  2.9924  0.5558052      4.133209 
1 1 1 -13 10  28 o 9.7600  2.5422  10.453    8.7530    10.300    12.495    10.600    12.265    9.7514  3.6085  9.7686  3.5818  -0.1720428E-01 5.084329 
1 1 1 -13 10  29 o 49.121  2.0229  329.482   26.495    329.559   37.110    329.403   37.839    49.136  2.8316  49.106  2.8896  0.3076172E-01  4.045734 
1 1 1 -13 10  30 f 13.639  2.7318  26.325    10.427    23.797    14.212    29.271    15.345    12.984  3.8267  14.293  3.8998  -1.308652      5.463677 
1 1 1 -13 10  31 o 23.047  2.3858  75.011    14.240    79.598    19.823    70.122    20.469    23.851  3.1824  22.244  3.5553  1.606976       4.771522 
1 1 1 -13 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 10  33 o 29.870  2.1930  124.938   17.271    119.352   23.758    131.197   25.150    29.163  3.0885  30.578  3.1142  -1.414858      4.386044 
1 1 1 -13 10  34 o 29.763  2.1934  124.824   17.207    121.846   23.636    128.182   25.098    29.410  3.0446  30.117  3.1583  -0.7069550     4.386855 
1 1 1 -13 10  35 o 13.140  2.7048  21.627    11.431    4.5571    15.195    43.887    17.352    9.1109  3.7836  17.168  3.8664  -8.057227      5.409639 
1 1 1 -13 10  36 o 11.312  2.8775  16.078    11.440    9.0915    16.263    22.921    16.095    10.025  4.0063  12.599  4.1314  -2.574291      5.754906 
1 1 1 -13 10  37 o 11.835  3.0347  18.272    12.741    24.922    17.499    10.769    18.587    13.018  4.3097  10.651  4.2738  2.367190       6.069457 
1 1 1 -13 10  38 o 13.003  3.0611  24.311    13.083    13.390    18.338    35.634    18.673    10.918  4.2886  15.088  4.3692  -4.170254      6.122276 
1 1 1 -13 11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 11  2  o 89.355  2.2160  1070.90   53.024    1040.54   74.828    1101.52   75.147    88.081  3.1717  90.628  3.0957  -2.547195      4.432060 
1 1 1 -13 11  3  o 66.575  1.9338  594.376   34.474    578.329   48.777    610.393   48.731    65.676  2.7728  67.474  2.6964  -1.798172      3.867687 
1 1 1 -13 11  4  o 14.459  1.9416  29.063    7.2282    24.682    10.183    33.513    10.262    13.307  2.9356  15.610  2.5419  -2.303191      3.883181 
1 1 1 -13 11  5  o 138.124 2.9196  2562.26   108.015   2576.47   153.012   2548.14   152.503   138.507 4.1244  137.742 4.1335  0.7644043      5.839278 
1 1 1 -13 11  6  o 69.279  1.9489  643.631   36.165    643.557   51.300    643.705   50.991    69.275  2.7647  69.284  2.7477  -0.8522034E-02 3.897882 
1 1 1 -13 11  7  o 103.250 2.4112  1430.87   66.671    1403.67   94.391    1457.95   94.184    102.268 3.4459  104.231 3.3736  -1.963303      4.822370 
1 1 1 -13 11  8  o 140.735 2.9256  2660.99   110.281   2670.05   156.093   2651.96   155.829   140.974 4.1339  140.495 4.1409  0.4790039      5.851164 
1 1 1 -13 11  9  o 138.617 2.9146  2581.92   108.201   2539.33   153.066   2624.45   152.973   137.470 4.1570  139.763 4.0863  -2.292999      5.829134 
1 1 1 -13 11  10 o 178.358 3.6101  4282.76   172.441   4370.61   243.974   4195.07   243.765   180.195 5.0549  176.521 5.1557  3.673676       7.220292 
1 1 1 -13 11  11 o 157.152 3.2650  3321.81   137.432   3325.46   194.296   3318.16   194.422   157.239 4.6133  157.065 4.6214  0.1736908      6.529965 
1 1 1 -13 11  12 o 73.209  2.0681  719.226   40.531    689.850   57.205    748.839   57.435    71.705  2.9785  74.713  2.8701  -3.007767      4.136240 
1 1 1 -13 11  13 o 99.125  4.9291  1322.69   130.869   0.0000    0.0000    1322.69   130.869   ?       ?       99.125  4.9291  ?              ?        
1 1 1 -13 11  14 o 195.072 4.6807  5107.96   231.999   5026.76   285.003   5267.44   399.426   193.082 5.5108  197.062 7.5674  -3.979507      9.361335 
1 1 1 -13 11  15 o 123.576 2.7023  2052.48   89.426    2000.01   126.120   2105.52   126.818   121.983 3.8601  125.168 3.7827  -3.185188      5.404528 
1 1 1 -13 11  16 o 117.353 2.6483  1851.72   83.231    1882.53   117.454   1820.65   117.962   118.338 3.7056  116.368 3.7846  1.970398       5.296641 
1 1 1 -13 11  17 o 193.454 3.8471  5060.16   199.291   4921.41   281.365   5199.84   282.317   190.770 5.5064  196.137 5.3739  -5.367126      7.694115 
1 1 1 -13 11  18 o 156.445 3.2754  3304.92   137.245   3332.64   193.792   3277.03   194.398   157.110 4.6051  155.779 4.6590  1.331131       6.550846 
1 1 1 -13 11  19 o 58.781  1.9831  464.312   31.219    454.876   43.831    474.029   44.478    58.174  2.8130  59.388  2.7961  -1.213387      3.966254 
1 1 1 -13 11  20 o 62.059  1.9834  517.979   32.967    510.042   46.389    526.079   46.861    61.578  2.8126  62.540  2.7975  -0.9620819     3.966895 
1 1 1 -13 11  21 o 120.238 2.7299  1956.07   87.900    1993.56   123.998   1918.21   124.622   121.411 3.8130  119.065 3.9077  2.345848       5.459783 
1 1 1 -13 11  22 o 57.204  1.9317  441.181   29.581    453.818   41.603    428.259   42.069    58.040  2.6761  56.368  2.7864  1.672096       3.863383 
1 1 1 -13 11  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 11  24 f 24.068  2.0932  80.245    13.019    92.948    18.271    67.147    18.554    26.107  2.6497  22.030  3.2412  4.076187       4.186412 
1 1 1 -13 11  25 o 25.971  2.0667  92.645    14.091    97.865    19.740    87.222    20.121    26.753  2.7962  25.189  3.0440  1.563351       4.133323 
1 1 1 -13 11  26 o 45.733  1.9350  283.972   23.574    268.048   32.873    300.831   33.823    44.400  2.7782  47.067  2.6942  -2.667027      3.870017 
1 1 1 -13 11  27 o 12.453  2.6153  21.014    9.5417    14.912    13.061    27.998    13.973    10.863  3.7241  14.043  3.6730  -3.179813      5.230669 
1 1 1 -13 11  28 o 40.756  1.9718  227.032   21.378    233.641   29.966    220.183   30.506    41.383  2.7186  40.130  2.8568  1.253090       3.943620 
1 1 1 -13 11  29 o 25.956  2.1555  93.302    14.582    80.066    20.227    107.625   21.040    23.962  3.2341  27.950  2.8504  -3.987652      4.310938 
1 1 1 -13 11  30 o 38.985  2.0372  209.070   21.101    197.079   29.445    221.729   30.254    37.812  2.9302  40.157  2.8309  -2.344387      4.074327 
1 1 1 -13 11  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 11  32 o 11.536  2.8226  17.407    10.578    15.491    14.185    19.807    15.876    10.987  3.8740  12.085  4.1060  -1.098483      5.645134 
1 1 1 -13 11  33 o 16.158  2.8173  38.616    12.065    36.770    16.206    40.910    18.070    15.756  3.8686  16.559  4.0966  -0.8030033     5.634544 
1 1 1 -13 11  34 o 16.750  2.8355  42.564    12.727    52.055    17.618    32.205    18.407    18.847  3.6216  14.654  4.3640  4.192776       5.671011 
1 1 1 -13 11  35 o 11.208  2.9054  15.434    11.464    11.387    15.580    20.212    16.930    10.295  3.9785  12.121  4.2352  -1.825699      5.810800 
1 1 1 -13 11  36 o 25.088  2.5741  92.293    16.721    83.174    23.519    101.612   23.776    23.700  3.8361  26.476  3.4335  -2.776566      5.148239 
1 1 1 -13 11  37 o 10.578  2.8853  9.7837    12.379    -2.4549   17.102    23.254    17.942    8.5258  3.7770  12.631  4.3629  -4.105382      5.770679 
1 1 1 -13 11  38 o 29.603  4.4322  137.587   34.062    137.587   34.062    0.0000    0.0000    29.603  4.4322  ?       ?       ?              ?        
1 1 1 -13 12  1  o 38.048  1.6927  194.797   17.161    191.033   24.138    198.644   24.402    37.674  2.4046  38.421  2.3829  -0.7476730     3.385331 
1 1 1 -13 12  2  o 194.430 3.8420  5087.90   200.078   5055.49   282.778   5120.39   283.130   193.808 5.4473  195.053 5.4193  -1.245056      7.683913 
1 1 1 -13 12  3  f 54.892  1.8338  403.998   26.961    401.113   38.099    406.891   38.158    54.695  2.6006  55.088  2.5860  -0.3928413     3.667527 
1 1 1 -13 12  4  o 161.335 3.3022  3499.65   142.691   3456.66   201.965   3542.50   201.626   160.341 4.7027  162.329 4.6372  -1.987686      6.604468 
1 1 1 -13 12  5  o 46.417  1.7644  289.704   21.855    290.512   31.048    288.911   30.769    46.481  2.5030  46.354  2.4873  0.1273613      3.528729 
1 1 1 -13 12  6  o 134.994 2.9116  2448.35   105.274   2472.33   149.155   2424.54   148.607   135.654 4.1050  134.334 4.1302  1.320007       5.823197 
1 1 1 -13 12  7  o 54.337  1.8228  395.917   26.529    397.384   37.696    394.477   37.341    54.437  2.5854  54.238  2.5703  0.1990242      3.645642 
1 1 1 -13 12  8  o 121.940 2.6472  1998.01   86.394    1908.40   122.219   2087.51   122.141   119.198 3.8281  124.682 3.6574  -5.483940      5.294392 
1 1 1 -13 12  9  o 46.323  1.7964  288.778   22.189    277.564   31.446    299.898   31.314    45.420  2.5956  47.226  2.4843  -1.806328      3.592857 
1 1 1 -13 12  10 o 228.948 4.4604  7078.21   273.514   7008.11   386.852   7148.27   386.763   227.805 6.3400  230.091 6.2756  -2.286163      8.920737 
1 1 1 -13 12  11 o 58.921  1.9348  465.713   30.532    460.688   43.289    470.687   43.068    58.604  2.7578  59.238  2.7143  -0.6340675     3.869535 
1 1 1 -13 12  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 12  13 o 157.825 3.2497  3352.27   137.377   3354.43   194.128   3350.10   194.433   157.877 4.5907  157.774 4.6009  0.1036377      6.499470 
1 1 1 -13 12  14 o 158.023 3.2666  3363.11   138.197   3236.18   195.089   3490.97   195.793   155.015 4.6986  161.031 4.5394  -6.016464      6.533230 
1 1 1 -13 12  15 o 115.752 2.6373  1801.54   81.768    1801.33   115.410   1801.75   115.865   115.746 3.7226  115.758 3.7369  -0.1157379E-01 5.274689 
1 1 1 -13 12  16 o 87.275  2.2367  1023.63   52.281    1036.62   73.724    1010.49   74.151    87.834  3.1337  86.715  3.1925  1.119225       4.473493 
1 1 1 -13 12  17 o 164.766 3.4267  3670.03   151.220   3708.81   213.566   3631.04   214.150   165.650 4.8134  163.883 4.8786  1.766434       6.853436 
1 1 1 -13 12  18 o 47.328  1.9059  301.808   24.047    288.196   33.606    316.090   34.424    46.228  2.7262  48.428  2.6641  -2.200081      3.811764 
1 1 1 -13 12  19 o 17.480  2.3037  42.484    10.387    40.915    14.661    44.066    14.718    17.139  3.3136  17.821  3.2012  -0.6818981     4.607378 
1 1 1 -13 12  20 o 74.088  2.1327  739.655   42.319    728.709   59.472    750.883   60.231    73.533  3.0196  74.644  3.0125  -1.111465      4.265337 
1 1 1 -13 12  21 o 77.909  2.1667  819.204   45.208    801.683   63.540    837.166   64.335    77.063  3.0783  78.755  3.0498  -1.692726      4.333323 
1 1 1 -13 12  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 12  23 o 60.388  2.0033  493.074   32.396    497.006   45.467    489.019   46.170    60.640  2.7993  60.137  2.8664  0.5025406      4.006506 
1 1 1 -13 12  24 o 50.014  1.9448  339.342   25.950    337.309   36.366    341.451   37.039    49.865  2.7332  50.163  2.7674  -0.2980156     3.889571 
1 1 1 -13 12  25 o 38.531  1.9730  202.634   20.158    218.581   28.359    186.348   28.660    40.104  2.6551  36.957  2.9190  3.146919       3.945912 
1 1 1 -13 12  26 o 31.601  2.0054  136.892   16.751    144.499   23.413    128.914   23.976    32.537  2.7112  30.664  2.9557  1.873043       4.010837 
1 1 1 -13 12  27 o 43.869  1.9812  262.888   23.140    270.551   32.463    254.973   32.992    44.542  2.7343  43.197  2.8678  1.344948       3.962388 
1 1 1 -13 12  28 o 28.244  2.1268  110.137   15.837    107.266   22.088    113.175   22.720    27.861  3.0075  28.627  3.0082  -0.7651939     4.253690 
1 1 1 -13 12  29 o 30.655  2.1028  130.102   17.025    133.139   23.681    126.853   24.495    31.059  2.8793  30.250  3.0654  0.8082142      4.205604 
1 1 1 -13 12  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 12  31 o 12.341  2.7912  21.063    10.887    28.885    14.932    12.186    15.907    14.061  3.8513  10.621  4.0410  3.440025       5.582365 
1 1 1 -13 12  32 o 14.637  2.6982  30.716    11.585    13.952    16.041    48.995    16.750    10.911  4.0784  18.362  3.5339  -7.450574      5.396484 
1 1 1 -13 12  33 f 11.407  2.7961  15.506    11.036    5.4277    15.034    27.282    16.251    9.2186  3.7896  13.595  4.1123  -4.376061      5.592192 
1 1 1 -13 12  34 o 20.461  2.6849  62.274    14.076    66.388    19.056    57.334    20.881    21.388  3.4432  19.534  4.1205  1.853796       5.369781 
1 1 1 -13 12  35 o 10.015  2.7022  5.4182    11.459    -10.8470  15.836    23.294    16.602    7.3567  3.4038  12.673  4.1979  -5.316092      5.404481 
1 1 1 -13 12  36 o 14.460  3.1370  32.386    13.396    35.964    18.364    28.316    19.585    15.229  4.3087  13.692  4.5606  1.537434       6.274080 
1 1 1 -13 12  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 13  1  o 126.823 2.7474  2160.05   93.325    2162.61   131.618   2157.47   132.347   126.900 3.8723  126.747 3.8984  0.1530838      5.494735 
1 1 1 -13 13  2  o 143.897 3.0415  2782.75   117.220   2741.28   165.546   2824.45   166.002   142.819 4.3276  144.975 4.2749  -2.156479      6.083005 
1 1 1 -13 13  3  f 210.314 4.1112  5962.25   231.579   5891.48   327.422   6033.09   327.582   209.057 5.8473  211.570 5.7806  -2.513168      8.222320 
1 1 1 -13 13  4  o 109.579 2.4837  1611.99   72.898    1617.94   103.207   1606.07   102.979   109.781 3.5099  109.378 3.5151  0.4036865      4.967395 
1 1 1 -13 13  5  o 148.005 3.1069  2945.10   123.162   2924.68   174.403   2965.42   173.952   147.491 4.4147  148.520 4.3728  -1.028992      6.213745 
1 1 1 -13 13  6  o 65.385  1.9636  573.548   34.382    563.891   48.778    583.083   48.472    64.836  2.8088  65.933  2.7447  -1.096504      3.927165 
1 1 1 -13 13  7  o 177.719 3.5776  4252.54   170.295   4217.72   241.043   4287.23   240.625   176.988 5.0847  178.450 5.0343  -1.461792      7.155237 
1 1 1 -13 13  8  o 165.598 3.3923  3690.42   150.464   3683.81   212.979   3697.01   212.599   165.448 4.8060  165.747 4.7888  -0.2992249     6.784557 
1 1 1 -13 13  9  o 198.886 3.9618  5332.99   211.051   5318.63   298.606   5347.32   298.336   198.616 5.6130  199.156 5.5927  -0.5396729     7.923653 
1 1 1 -13 13  10 f 34.641  1.8728  161.917   17.241    160.319   24.563    163.469   24.205    34.468  2.6816  34.813  2.6149  -0.3452454     3.745500 
1 1 1 -13 13  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 13  12 o 169.684 3.4646  3878.85   157.448   3812.11   222.594   3945.67   222.737   168.215 4.9404  171.153 4.8587  -2.938004      6.929232 
1 1 1 -13 13  13 o 149.974 3.1008  3027.91   124.553   2985.28   176.031   3070.65   176.259   148.912 4.4134  151.036 4.3569  -2.124237      6.201662 
1 1 1 -13 13  14 o 52.263  1.8751  367.309   26.177    350.668   37.046    383.904   36.994    51.041  2.7196  53.486  2.5823  -2.445313      3.750260 
1 1 1 -13 13  15 o 104.389 2.4603  1466.06   68.767    1508.24   97.179    1423.75   97.325    105.900 3.4260  102.877 3.5319  3.022774       4.920570 
1 1 1 -13 13  16 o 124.406 2.7772  2086.14   92.536    2055.60   130.574   2116.95   131.160   123.487 3.9477  125.325 3.9073  -1.837502      5.554398 
1 1 1 -13 13  17 o 70.673  2.0854  671.825   39.476    674.164   55.659    669.459   55.996    70.798  2.9351  70.548  2.9633  0.2503967      4.170885 
1 1 1 -13 13  18 o 51.436  1.9001  356.914   26.077    366.835   36.792    346.900   36.965    52.162  2.6420  50.709  2.7316  1.452724       3.800272 
1 1 1 -13 13  19 o 18.840  2.2468  49.172    10.930    47.049    15.390    51.334    15.527    18.409  3.2395  19.271  3.1143  -0.8627911     4.493635 
1 1 1 -13 13  20 o 43.903  1.8921  260.875   22.127    269.480   31.086    252.038   31.502    44.650  2.6107  43.155  2.7395  1.494659       3.784258 
1 1 1 -13 13  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 13  22 o 72.707  2.1191  715.716   41.261    724.913   58.035    706.315   58.673    73.189  2.9605  72.225  3.0329  0.9635696      4.238261 
1 1 1 -13 13  23 o 72.607  2.1296  714.685   41.410    716.155   58.158    713.174   58.977    72.689  2.9871  72.524  3.0361  0.1657333      4.259158 
1 1 1 -13 13  24 o 40.991  1.9412  229.273   21.110    247.946   29.606    209.963   30.107    42.735  2.5989  39.248  2.8841  3.486320       3.882312 
1 1 1 -13 13  25 o 23.167  2.2180  74.317    13.304    63.642    18.456    85.864    19.195    21.358  3.3353  24.977  2.9247  -3.618635      4.435948 
1 1 1 -13 13  26 o 43.066  1.9642  253.620   22.489    266.821   31.455    239.817   32.165    44.251  2.6664  41.881  2.8850  2.369537       3.928429 
1 1 1 -13 13  27 o 19.894  2.4500  56.096    12.545    59.408    17.378    52.492    18.128    20.578  3.2616  19.211  3.6566  1.366968       4.899906 
1 1 1 -13 13  28 o 13.915  2.7746  27.122    11.182    17.251    15.467    37.930    16.184    11.621  4.0487  16.208  3.7948  -4.586818      5.549114 
1 1 1 -13 13  29 o 17.056  4.1094  42.578    18.551    0.0000    0.0000    42.578    18.551    ?       ?       17.056  4.1094  ?              ?        
1 1 1 -13 13  30 o 13.549  2.7655  26.612    11.068    35.830    15.261    16.383    16.077    15.665  3.6967  11.433  4.1142  4.232244       5.531078 
1 1 1 -13 13  31 o 23.512  2.4379  79.310    14.875    81.327    20.702    77.157    21.387    23.878  3.3274  23.146  3.5641  0.7315140      4.875897 
1 1 1 -13 13  32 f 11.058  2.7824  15.066    10.775    22.543    15.109    7.3289    15.370    12.515  3.9947  9.6003  3.8743  2.914814       5.564844 
1 1 1 -13 13  33 o 35.695  2.2127  180.574   20.929    184.446   29.378    176.584   29.823    36.125  3.0651  35.264  3.1920  0.8604813      4.425337 
1 1 1 -13 13  34 o 14.416  3.0321  30.341    13.008    43.243    19.223    19.443    17.668    16.819  4.2619  12.013  4.3141  4.805958       6.064262 
1 1 1 -13 13  35 o 9.6996  2.7059  4.1639    11.720    20.400    16.402    -12.7766  16.754    12.001  4.1700  7.3983  3.4496  4.602548       5.411874 
1 1 1 -13 13  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 14  1  o 42.739  1.7495  245.765   19.938    246.691   27.942    244.804   28.459    42.823  2.4462  42.654  2.5020  0.1690674      3.499085 
1 1 1 -13 14  2  o 262.197 5.0776  9306.02   356.479   9028.91   503.697   9584.10   504.580   258.246 7.2819  266.147 7.0781  -7.900574      10.15513 
1 1 1 -13 14  3  o 115.014 2.5682  1776.50   79.112    1753.20   111.803   1799.86   111.960   114.257 3.6533  115.771 3.6105  -1.514114      5.136360 
1 1 1 -13 14  4  o 48.467  1.8140  315.917   23.465    317.252   33.205    314.585   33.166    48.570  2.5614  48.364  2.5694  0.2057724      3.628052 
1 1 1 -13 14  5  o 155.883 3.2493  3269.02   135.662   3312.50   192.143   3225.80   191.569   156.921 4.5715  154.846 4.6189  2.074341       6.498631 
1 1 1 -13 14  6  o 51.535  1.8812  357.130   25.876    364.987   36.798    349.445   36.394    52.098  2.6457  50.972  2.6751  1.126598       3.762422 
1 1 1 -13 14  7  o 169.167 3.4633  3852.62   156.915   3910.18   222.301   3795.46   221.524   170.431 4.8697  167.902 4.9258  2.528870       6.926558 
1 1 1 -13 14  8  o 41.119  1.8703  227.584   20.479    237.249   29.330    218.389   28.608    41.976  2.6218  40.262  2.6679  1.713905       3.740522 
1 1 1 -13 14  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 14  10 o 55.736  2.2865  422.397   32.519    433.743   40.772    402.562   53.910    56.861  2.6771  54.611  3.7075  2.249859       4.573037 
1 1 1 -13 14  11 o 61.640  1.9628  509.849   32.404    518.909   45.983    500.911   45.671    62.185  2.7608  61.096  2.7909  1.089310       3.925637 
1 1 1 -13 14  12 o 126.712 2.7786  2159.90   94.303    2151.48   133.390   2168.31   133.338   126.464 3.9379  126.960 3.9210  -0.4959412     5.557102 
1 1 1 -13 14  13 o 53.496  1.8898  384.674   27.033    380.989   38.238    388.356   38.223    53.205  2.6919  53.787  2.6531  -0.5821075     3.779632 
1 1 1 -13 14  14 f 39.448  1.8765  210.111   19.689    199.905   27.952    220.163   27.738    38.484  2.7294  40.412  2.5760  -1.928478      3.753081 
1 1 1 -13 14  15 f 61.293  1.9765  504.921   32.446    510.875   45.863    498.956   45.908    61.656  2.7772  60.930  2.8130  0.7261887      3.952917 
1 1 1 -13 14  16 o 87.538  2.2397  1031.76   52.514    1038.15   74.197    1025.35   74.336    87.812  3.1546  87.265  3.1803  0.5469894      4.479499 
1 1 1 -13 14  17 o 110.416 2.5515  1646.81   75.424    1701.13   106.540   1592.23   106.793   112.258 3.5433  108.574 3.6722  3.684219       5.102943 
1 1 1 -13 14  18 o 58.809  1.9563  465.847   30.813    459.395   43.413    472.397   43.743    58.397  2.7755  59.220  2.7577  -0.8228531     3.912567 
1 1 1 -13 14  19 o 67.574  2.0608  616.212   37.297    607.879   52.480    624.716   53.017    67.112  2.9195  68.037  2.9093  -0.9248734     4.121531 
1 1 1 -13 14  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 14  21 o 93.875  2.3884  1196.82   60.053    1197.43   84.559    1196.20   85.301    93.906  3.3619  93.845  3.3936  0.6050873E-01  4.776864 
1 1 1 -13 14  22 o 76.057  2.1478  784.387   43.746    762.578   61.414    806.852   62.329    74.978  3.0581  77.137  3.0168  -2.159019      4.295658 
1 1 1 -13 14  23 o 30.717  2.0151  128.981   16.388    128.344   22.959    129.642   23.399    30.644  2.8291  30.791  2.8702  -0.1468849     4.030144 
1 1 1 -13 14  24 o 45.749  1.9658  285.474   23.931    301.724   33.650    268.845   34.041    47.100  2.6784  44.398  2.8781  2.702209       3.931556 
1 1 1 -13 14  25 o 36.181  1.9785  179.192   19.000    188.829   26.863    169.544   26.878    37.182  2.7160  35.180  2.8776  2.002602       3.956950 
1 1 1 -13 14  26 f 39.391  2.0157  212.669   21.118    208.038   29.488    217.546   30.256    38.950  2.8462  39.831  2.8549  -0.8816643     4.031314 
1 1 1 -13 14  27 o 46.370  2.0211  295.558   24.965    300.849   34.933    290.035   35.690    46.820  2.7984  45.920  2.9168  0.8998146      4.042105 
1 1 1 -13 14  28 o 18.579  3.7801  49.892    18.171    0.0000    0.0000    49.892    18.171    ?       ?       18.579  3.7801  ?              ?        
1 1 1 -13 14  29 o 17.762  2.7109  46.620    12.541    54.389    17.352    38.124    18.145    19.466  3.4546  16.057  4.1787  3.408953       5.421768 
1 1 1 -13 14  30 o 16.568  2.8306  40.763    12.558    50.009    17.935    31.870    17.589    18.477  3.7520  14.659  4.2393  3.818470       5.661180 
1 1 1 -13 14  31 o 17.892  2.7799  47.420    12.975    40.989    17.887    54.562    18.850    16.539  4.0663  19.246  3.7916  -2.707214      5.559753 
1 1 1 -13 14  32 o 13.861  2.9796  28.463    12.010    26.578    16.251    30.732    17.827    13.408  4.1236  14.314  4.3020  -0.9066992     5.959165 
1 1 1 -13 14  33 o 16.252  2.7775  40.615    13.408    65.673    18.616    13.603    19.328    21.263  3.3820  11.241  4.4069  10.02168       5.555012 
1 1 1 -13 14  34 o 13.921  3.0472  28.044    13.718    44.775    19.368    11.200    19.433    17.022  4.2585  10.820  4.3599  6.202588       6.094488 
1 1 1 -13 14  35 o 17.431  4.3477  48.029    20.231    0.0000    0.0000    48.029    20.231    ?       ?       17.431  4.3477  ?              ?        
1 1 1 -13 15  1  o 180.345 3.5945  4381.65   173.515   4181.98   244.696   4583.59   246.084   176.191 5.1851  184.499 4.9797  -8.308151      7.189027 
1 1 1 -13 15  2  o 109.843 2.5183  1620.38   74.092    1616.30   104.564   1624.50   105.002   109.705 3.5585  109.982 3.5644  -0.2773514     5.036672 
1 1 1 -13 15  3  o 95.924  2.3752  1235.43   61.023    1250.84   86.307    1220.02   86.293    96.524  3.3383  95.324  3.3797  1.199379       4.750435 
1 1 1 -13 15  4  o 106.345 2.4839  1519.07   70.729    1472.67   99.990    1565.55   100.062   104.715 3.5650  107.975 3.4599  -3.260345      4.967868 
1 1 1 -13 15  5  o 177.974 3.6213  4266.95   172.628   4288.98   244.371   4245.01   243.894   178.434 5.1131  177.514 5.1296  0.9202423      7.242655 
1 1 1 -13 15  6  f 184.566 3.7304  4590.87   184.412   4624.09   261.136   4557.82   260.462   185.234 5.2633  183.897 5.2879  1.337631       7.460810 
1 1 1 -13 15  7  o 134.528 3.4750  2404.87   119.418   2544.60   204.570   2332.65   147.078   137.347 5.5607  131.709 4.1691  5.637894       6.950055 
1 1 1 -13 15  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 15  9  o 76.691  2.1291  789.559   43.733    785.733   61.998    793.348   61.699    76.505  3.0255  76.877  2.9964  -0.3715668     4.258163 
1 1 1 -13 15  10 o 177.360 3.5790  4243.44   170.021   4260.05   240.620   4226.88   240.271   177.708 5.0552  177.012 5.0677  0.6962585      7.157955 
1 1 1 -13 15  11 o 15.922  2.3951  35.361    9.9009    34.149    13.908    36.607    14.098    15.638  3.4161  16.207  3.3580  -0.5690670     4.790210 
1 1 1 -13 15  12 o 103.493 2.4284  1440.66   67.314    1435.07   95.306    1446.23   95.088    103.291 3.4448  103.695 3.4236  -0.4037323     4.856717 
1 1 1 -13 15  13 o 28.974  1.9689  113.889   15.064    106.093   21.198    121.843   21.412    27.951  2.8722  29.997  2.6937  -2.045624      3.937715 
1 1 1 -13 15  14 o 25.879  2.0963  91.357    14.136    106.168   20.325    77.482    19.672    27.971  2.7484  23.788  3.1661  4.182320       4.192624 
1 1 1 -13 15  15 o 39.472  1.9035  210.812   19.944    229.658   28.280    192.162   28.132    41.253  2.5722  37.691  2.8067  3.561630       3.807095 
1 1 1 -13 15  16 o 96.345  2.3520  1253.15   60.649    1309.91   85.803    1196.47   85.737    98.542  3.2508  94.147  3.3999  4.395302       4.703982 
1 1 1 -13 15  17 o 105.766 2.4997  1513.47   70.815    1509.76   100.016   1517.20   100.279   105.636 3.5348  105.896 3.5354  -0.2598114     4.999407 
1 1 1 -13 15  18 o 24.529  2.0342  82.354    13.072    75.308    18.339    89.632    18.637    23.427  2.9908  25.631  2.7581  -2.204229      4.068414 
1 1 1 -13 15  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 15  20 o 19.497  2.3177  53.312    11.541    65.128    16.486    41.957    16.161    21.750  2.9023  17.245  3.6144  4.504522       4.635442 
1 1 1 -13 15  21 o 21.881  2.2309  66.857    12.414    50.930    17.326    83.657    17.795    19.045  3.5264  24.717  2.7337  -5.671940      4.461897 
1 1 1 -13 15  22 o 49.415  1.9911  332.459   26.212    347.943   36.897    316.680   37.246    50.603  2.7323  48.226  2.8968  2.377045       3.982110 
1 1 1 -13 15  23 o 37.092  2.0015  188.194   19.626    165.176   27.491    212.118   28.026    34.723  2.9849  39.462  2.6672  -4.739162      4.002932 
1 1 1 -13 15  24 o 37.684  1.9754  194.266   19.790    196.123   27.703    192.331   28.281    37.881  2.7491  37.487  2.8376  0.3942680      3.950856 
1 1 1 -13 15  25 o 39.359  1.9978  212.201   20.860    191.731   28.997    234.157   30.031    37.353  2.9215  41.365  2.7257  -4.012585      3.995629 
1 1 1 -13 15  26 o 36.748  2.0702  186.319   20.175    173.936   28.394    198.945   28.671    35.474  3.0170  38.021  2.8357  -2.547207      4.140479 
1 1 1 -13 15  27 o 24.678  3.4256  86.074    22.033    0.0000    0.0000    86.074    22.033    ?       ?       24.678  3.4256  ?              ?        
1 1 1 -13 15  28 o 20.209  2.6397  59.676    13.600    40.007    18.823    81.157    19.671    16.425  4.2470  23.992  3.1361  -7.567078      5.279379 
1 1 1 -13 15  29 o 10.451  2.7838  12.343    10.625    10.999    15.055    13.676    14.997    10.204  3.9196  10.697  3.9542  -0.4925013     5.567680 
1 1 1 -13 15  30 o 13.636  2.9293  27.440    11.646    28.013    16.281    26.839    16.665    13.759  4.1058  13.513  4.1792  0.2463799      5.858659 
1 1 1 -13 15  31 f 5.8028  1.9668  -20.0572  8.7773    -7.3062   13.171    -30.2440  11.772    6.9566  3.1764  4.6490  2.3203  2.307590       3.933629 
1 1 1 -13 15  32 o 30.145  2.3469  131.457   18.329    153.378   25.789    109.080   26.056    32.935  2.9549  27.355  3.6470  5.579409       4.693779 
1 1 1 -13 15  33 o 38.308  2.2791  210.764   23.141    217.566   32.413    203.693   33.049    39.015  3.1280  37.600  3.3155  1.415577       4.558167 
1 1 1 -13 15  34 o 19.880  4.3494  62.053    22.515    0.0000    0.0000    62.053    22.515    ?       ?       19.880  4.3494  ?              ?        
1 1 1 -13 16  1  o 180.483 3.6557  4389.55   176.724   4381.60   249.408   4397.57   250.446   180.320 5.1639  180.646 5.1760  -0.3257904     7.311423 
1 1 1 -13 16  2  o 121.750 2.7108  1991.90   88.396    1961.94   124.693   2022.16   125.332   120.828 3.8529  122.672 3.8144  -1.844337      5.421663 
1 1 1 -13 16  3  o 110.859 2.5413  1650.85   75.457    1634.50   106.546   1667.31   106.879   110.308 3.6062  111.411 3.5816  -1.103775      5.082529 
1 1 1 -13 16  4  o 86.026  2.2696  993.507   52.295    1001.13   74.059    985.928   73.855    86.356  3.2018  85.696  3.2176  0.6591034      4.539211 
1 1 1 -13 16  5  o 42.098  1.8901  238.726   21.200    235.315   29.989    242.133   29.975    41.794  2.6932  42.402  2.6526  -0.6072960     3.780189 
1 1 1 -13 16  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 16  7  o 19.453  2.2867  52.249    11.400    62.793    16.446    42.497    15.816    21.430  2.9430  17.477  3.5007  3.953140       4.573369 
1 1 1 -13 16  8  o 105.755 2.4905  1504.27   70.477    1429.16   99.785    1579.04   99.555    103.109 3.6131  108.401 3.4288  -5.292114      4.981076 
1 1 1 -13 16  9  o 123.752 2.7511  2060.79   91.188    2085.06   129.244   2036.74   128.675   124.479 3.8764  123.024 3.9050  1.455040       5.502267 
1 1 1 -13 16  10 o 74.717  2.1241  750.074   42.508    750.563   60.361    749.593   59.873    74.740  3.0152  74.694  2.9927  0.4651642E-01  4.248202 
1 1 1 -13 16  11 o 27.254  2.0037  100.759   14.402    105.942   20.740    95.931    20.016    27.941  2.8093  26.567  2.8577  1.373478       4.007335 
1 1 1 -13 16  12 o 57.243  1.9559  440.421   29.988    444.591   42.448    436.265   42.371    57.514  2.7555  56.972  2.7767  0.5426254      3.911825 
1 1 1 -13 16  13 o 135.853 2.9764  2495.66   108.304   2478.89   153.199   2512.41   153.132   135.392 4.2245  136.314 4.1941  -0.9216461     5.952835 
1 1 1 -13 16  14 o 95.390  2.3743  1227.41   60.661    1240.65   85.841    1214.21   85.733    95.907  3.3416  94.873  3.3738  1.034027       4.748537 
1 1 1 -13 16  15 o 63.539  1.9955  543.929   33.960    539.588   48.041    548.266   48.013    63.284  2.8342  63.794  2.8099  -0.5101128     3.991025 
1 1 1 -13 16  16 o 135.619 2.9725  2502.26   107.945   2430.34   152.469   2574.53   152.847   133.637 4.2596  137.601 4.1471  -3.964325      5.944957 
1 1 1 -13 16  17 o 101.307 3.4838  1391.79   94.533    0.0000    0.0000    1391.79   94.533    ?       ?       101.307 3.4838  ?              ?        
1 1 1 -13 16  18 o 51.496  2.2877  359.117   30.370    353.851   38.267    368.078   49.916    51.088  2.8073  51.904  3.6130  -0.8156700     4.575448 
1 1 1 -13 16  19 o 50.824  1.9539  350.457   26.499    349.813   37.445    351.103   37.505    50.777  2.7637  50.871  2.7629  -0.9399033E-01 3.907847 
1 1 1 -13 16  20 o 12.352  2.6487  20.953    9.6125    24.535    13.461    17.227    13.731    13.208  3.6721  11.496  3.8182  1.712113       5.297431 
1 1 1 -13 16  21 o 19.285  2.3784  52.231    11.812    47.158    16.708    57.300    16.701    18.284  3.5395  20.287  3.1779  -2.003054      4.756782 
1 1 1 -13 16  22 o 28.479  2.0687  111.477   15.548    114.501   21.918    108.414   22.059    28.885  2.8710  28.073  2.9792  0.8118610      4.137428 
1 1 1 -13 16  23 o 12.996  2.6914  23.713    9.9785    21.838    13.885    25.715    14.350    12.525  3.8040  13.466  3.8084  -0.9406738     5.382745 
1 1 1 -13 16  24 o 12.770  2.6531  21.817    10.316    10.580    14.257    34.164    14.945    10.118  3.8314  15.422  3.6709  -5.303938      5.306182 
1 1 1 -13 16  25 o 14.159  2.6529  28.040    11.100    44.683    15.911    12.262    15.492    17.680  3.4839  10.638  4.0017  7.041460       5.305802 
1 1 1 -13 16  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 16  27 o 7.6348  2.3504  -2.1049   9.1417    2.4942    12.842    -6.8298   13.016    8.2572  3.4578  7.0123  3.1847  1.244881       4.700880 
1 1 1 -13 16  28 o 9.6310  2.6509  7.8095    10.155    15.072    14.610    1.0226    14.124    10.911  3.9225  8.3511  3.5669  2.559832       5.301761 
1 1 1 -13 16  29 o 30.500  2.2805  132.301   18.095    108.742   25.148    157.590   26.055    27.507  3.4920  33.493  2.9340  -5.985914      4.560967 
1 1 1 -13 16  30 o 17.269  2.8431  44.634    12.995    35.671    17.951    54.504    18.836    15.352  4.2300  19.185  3.7998  -3.833232      5.686104 
1 1 1 -13 16  31 o 12.048  2.9904  19.876    12.018    16.420    17.005    23.326    16.988    11.385  4.2102  12.711  4.2478  -1.326194      5.980750 
1 1 1 -13 16  32 o 24.178  2.6569  86.862    16.480    72.463    23.004    102.043   23.620    21.880  4.0752  26.476  3.4100  -4.595840      5.313747 
1 1 1 -13 16  33 o 16.663  4.5426  44.423    20.831    0.0000    0.0000    44.423    20.831    ?       ?       16.663  4.5426  ?              ?        
1 1 1 -13 17  1  o 166.122 3.3868  3716.82   150.661   3609.59   212.401   3825.40   213.739   163.699 4.8442  168.544 4.7346  -4.844345      6.773667 
1 1 1 -13 17  2  o 91.828  2.2969  1132.24   56.493    1122.58   79.668    1142.00   80.120    91.433  3.2531  92.222  3.2436  -0.7882462     4.593801 
1 1 1 -13 17  3  o 105.975 5.1286  1514.20   145.577   0.0000    0.0000    1514.20   145.577   ?       ?       105.975 5.1286  ?              ?        
1 1 1 -13 17  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 17  5  o 96.268  2.3866  1245.18   61.535    1228.54   87.047    1261.80   87.002    95.623  3.3986  96.913  3.3516  -1.289894      4.773256 
1 1 1 -13 17  6  o 115.984 2.6868  1809.54   83.460    1783.86   118.158   1835.11   117.902   115.159 3.8307  116.809 3.7684  -1.650894      5.373527 
1 1 1 -13 17  7  o 107.693 2.5399  1559.77   73.262    1573.26   103.888   1546.42   103.332   108.158 3.5861  107.229 3.5978  0.9282074      5.079740 
1 1 1 -13 17  8  o 42.184  1.9018  239.918   21.376    238.268   30.227    241.568   30.232    42.038  2.6988  42.331  2.6802  -0.2932625     3.803567 
1 1 1 -13 17  9  o 107.984 2.5157  1570.00   72.752    1546.35   103.158   1593.40   102.619   107.169 3.5937  108.799 3.5214  -1.629913      5.031407 
1 1 1 -13 17  10 o 22.994  2.2559  72.711    13.425    63.493    18.908    82.085    19.066    21.456  3.4037  24.531  2.9616  -3.074940      4.511741 
1 1 1 -13 17  11 o 135.586 2.9610  2485.09   107.530   2471.01   152.310   2499.09   151.831   135.198 4.2060  135.975 4.1688  -0.7773285     5.921963 
1 1 1 -13 17  12 o 57.247  1.9452  440.959   29.827    439.900   42.337    442.003   42.026    57.178  2.7644  57.317  2.7375  -0.1390724     3.890490 
1 1 1 -13 17  13 o 127.081 2.8375  2187.78   96.584    2193.23   136.702   2182.36   136.479   127.239 4.0111  126.922 4.0146  0.3169174      5.675039 
1 1 1 -13 17  14 o 23.179  2.1111  73.749    12.696    84.962    18.228    63.185    17.693    24.956  2.7738  21.403  3.1833  3.553486       4.222272 
1 1 1 -13 17  15 o 15.180  2.5006  32.539    10.038    38.587    14.226    26.543    14.166    16.599  3.3158  13.760  3.7439  2.838375       5.001165 
1 1 1 -13 17  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 17  17 o 55.963  1.9771  424.282   29.553    446.964   41.941    401.917   41.648    57.501  2.7232  54.426  2.8671  3.074989       3.954222 
1 1 1 -13 17  18 o 57.213  2.0169  443.986   30.838    460.804   43.745    427.370   43.480    58.339  2.7995  56.087  2.9042  2.251644       4.033853 
1 1 1 -13 17  19 o 27.826  2.0957  106.756   15.229    91.499    21.518    122.064   21.555    25.751  3.1879  29.901  2.7212  -4.149832      4.191363 
1 1 1 -13 17  20 o 9.6380  2.5172  9.8204    8.6447    12.889    12.540    7.0414    11.934    10.324  3.6422  8.9522  3.4757  1.371783       5.034443 
1 1 1 -13 17  21 o 49.105  1.9973  329.168   26.130    345.651   36.926    312.636   36.982    50.365  2.7476  47.845  2.8995  2.519909       3.994544 
1 1 1 -13 17  22 o 37.084  2.0055  188.518   19.764    183.925   27.966    193.100   27.934    36.618  2.8744  37.549  2.7975  -0.9305496     4.011042 
1 1 1 -13 17  23 o 16.398  2.6728  38.822    11.539    33.339    16.344    44.271    16.293    15.196  3.9715  17.600  3.5782  -2.404249      5.345645 
1 1 1 -13 17  24 o 15.333  2.7600  34.085    11.564    25.327    16.246    43.081    16.465    13.375  4.1246  17.292  3.6686  -3.917106      5.520005 
1 1 1 -13 17  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 17  26 o 32.808  2.1452  150.573   18.634    149.945   26.075    151.229   26.640    32.750  3.0060  32.866  3.0613  -0.1158142     4.290465 
1 1 1 -13 17  27 o 20.575  2.6168  61.744    13.839    52.467    19.287    71.588    19.868    18.836  3.9490  22.314  3.4345  -3.477509      5.233535 
1 1 1 -13 17  28 o 14.759  2.9169  32.643    11.978    32.881    16.839    32.400    17.041    14.813  4.1032  14.705  4.1471  0.1086445      5.833880 
1 1 1 -13 17  29 o 27.590  2.3818  109.575   17.114    96.661    24.127    122.652   24.278    25.809  3.5870  29.371  3.1346  -3.561489      4.763617 
1 1 1 -13 17  30 o 13.106  2.8995  23.645    12.500    7.6510    17.672    39.661    17.684    10.051  4.1175  16.162  4.0835  -6.110385      5.799059 
1 1 1 -13 17  31 o 40.068  2.2584  229.903   24.011    216.587   33.330    244.270   34.621    38.824  3.2346  41.312  3.1525  -2.487843      4.516742 
1 1 1 -13 17  32 o 20.215  4.2409  63.770    22.229    0.0000    0.0000    63.770    22.229    ?       ?       20.215  4.2409  ?              ?        
1 1 1 -13 18  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 18  2  o 99.100  2.8924  1316.49   73.013    1305.19   90.074    1338.14   124.676   98.555  3.4122  99.645  4.6713  -1.090233      5.784822 
1 1 1 -13 18  3  o 86.871  2.2608  1013.90   52.600    1028.58   74.291    999.137   74.483    87.504  3.1697  86.238  3.2246  1.265999       4.521605 
1 1 1 -13 18  4  o 34.646  1.9062  162.195   17.538    156.306   24.881    168.011   24.726    34.011  2.7549  35.282  2.6354  -1.271179      3.812468 
1 1 1 -13 18  5  o 61.222  2.0067  503.407   32.901    515.185   46.601    491.701   46.457    61.937  2.8090  60.506  2.8666  1.431576       4.013492 
1 1 1 -13 18  6  o 103.508 2.4796  1441.75   68.735    1474.94   97.385    1408.80   97.028    104.700 3.4726  102.316 3.5405  2.383705       4.959247 
1 1 1 -13 18  7  o 47.532  1.9388  304.650   24.570    298.588   34.941    310.580   34.558    47.058  2.7845  48.006  2.6985  -0.9485130     3.877564 
1 1 1 -13 18  8  o 53.341  1.9670  383.121   28.008    408.057   39.852    358.782   39.372    55.103  2.7001  51.579  2.8610  3.523418       3.933982 
1 1 1 -13 18  9  o 165.011 3.3876  3691.90   149.720   3663.57   212.048   3720.06   211.426   164.369 4.8164  165.653 4.7651  -1.284012      6.775245 
1 1 1 -13 18  10 f 149.555 3.2459  3034.24   130.010   3089.75   184.255   2979.21   183.470   150.930 4.5578  148.179 4.6226  2.751312       6.491706 
1 1 1 -13 18  11 o 72.141  2.1183  701.545   40.922    687.745   58.043    715.183   57.704    71.429  3.0338  72.852  2.9572  -1.422691      4.236596 
1 1 1 -13 18  12 o 47.485  1.9280  304.797   24.417    304.553   34.684    305.036   34.381    47.464  2.7398  47.506  2.7132  -0.4203796E-01 3.855929 
1 1 1 -13 18  13 o 71.067  2.1269  682.193   40.484    678.407   57.369    685.948   57.138    70.868  3.0223  71.267  2.9933  -0.3986206     4.253729 
1 1 1 -13 18  14 o 49.183  1.9679  327.900   25.793    311.906   36.499    343.853   36.453    47.966  2.8539  50.400  2.7103  -2.433792      3.935756 
1 1 1 -13 18  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 18  16 o 59.701  2.0215  482.612   32.324    489.953   45.859    475.364   45.568    60.155  2.8462  59.247  2.8715  0.9081726      4.043030 
1 1 1 -13 18  17 o 49.919  1.9769  338.586   26.325    342.785   37.360    334.445   37.099    50.229  2.7879  49.609  2.8035  0.6204872      3.953743 
1 1 1 -13 18  18 o 38.670  1.9875  203.837   20.441    209.627   29.089    198.189   28.730    39.221  2.7871  38.120  2.8341  1.101700       3.974973 
1 1 1 -13 18  19 o 23.431  2.2344  76.097    13.628    82.997    19.526    69.543    19.029    24.513  3.0392  22.349  3.2762  2.163729       4.468776 
1 1 1 -13 18  20 o 54.553  2.0280  406.474   29.512    392.042   41.767    420.865   41.706    53.563  2.9223  55.542  2.8126  -1.979599      4.055927 
1 1 1 -13 18  21 o 50.459  2.0281  348.618   27.295    342.403   38.525    354.883   38.676    49.998  2.8891  50.920  2.8472  -0.9220238     4.056224 
1 1 1 -13 18  22 o 28.045  2.1908  109.532   16.122    100.996   22.951    117.847   22.653    26.902  3.2511  29.189  2.9373  -2.287027      4.381524 
1 1 1 -13 18  23 o 34.852  2.1194  168.600   19.482    189.426   27.791    148.478   27.318    37.052  2.8215  32.653  3.1632  4.399418       4.238716 
1 1 1 -13 18  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 18  25 f 32.369  2.2104  148.130   18.678    124.055   26.432    172.147   26.399    29.567  3.3993  35.171  2.8262  -5.603498      4.420732 
1 1 1 -13 18  26 o 22.971  2.5302  76.561    14.960    66.729    21.134    86.437    21.180    21.336  3.8392  24.605  3.2966  -3.269230      5.060379 
1 1 1 -13 18  27 o 6.9972  2.2567  -7.3965   9.4102    -10.9504  13.927    -4.4112   12.765    6.8083  3.1646  7.1861  3.2181  -0.3778019     4.513412 
1 1 1 -13 18  28 o 20.037  2.8160  61.513    14.577    84.205    20.553    38.548    20.677    24.224  3.2496  15.851  4.5998  8.372951       5.631930 
1 1 1 -13 18  29 o 28.700  2.4287  119.590   18.180    130.370   25.422    108.309   26.007    30.184  3.1930  27.216  3.6604  2.967201       4.857320 
1 1 1 -13 18  30 o 10.593  2.5104  7.2614    10.981    -17.7734  15.526    32.319    15.533    6.6250  3.1581  14.561  3.9032  -7.935538      5.020854 
1 1 1 -13 18  31 o 16.075  4.5545  41.539    20.504    0.0000    0.0000    41.539    20.504    ?       ?       16.075  4.5545  ?              ?        
1 1 1 -13 19  1  o 125.316 2.7776  2114.54   93.216    2146.68   131.378   2081.95   132.280   126.282 3.8841  124.349 3.9716  1.932838       5.555144 
1 1 1 -13 19  2  o 27.075  2.0544  99.885    14.569    112.214   20.684    87.746    20.524    28.781  2.7151  25.368  3.0840  3.412935       4.108865 
1 1 1 -13 19  3  o 46.059  1.9258  285.911   23.652    283.111   33.364    288.740   33.534    45.831  2.7303  46.287  2.7167  -0.4565239     3.851651 
1 1 1 -13 19  4  o 44.844  1.9121  271.150   22.854    264.045   32.276    278.294   32.366    44.249  2.7367  45.439  2.6711  -1.189873      3.824183 
1 1 1 -13 19  5  o 48.312  1.9618  314.717   25.280    315.375   35.784    314.063   35.718    48.362  2.7741  48.261  2.7748  0.1012001      3.923618 
1 1 1 -13 19  6  o 93.722  2.3929  1183.26   60.067    1168.42   84.951    1198.10   84.944    93.131  3.4055  94.313  3.3626  -1.182144      4.785866 
1 1 1 -13 19  7  o 75.038  2.1497  758.295   43.189    735.734   61.222    780.647   60.936    73.920  3.0921  76.156  2.9873  -2.236450      4.299441 
1 1 1 -13 19  8  o 139.467 3.0278  2635.75   113.083   2580.23   160.111   2691.01   159.736   137.982 4.3322  140.952 4.2310  -2.969345      6.055537 
1 1 1 -13 19  9  o 72.260  2.1343  703.875   41.309    705.437   58.620    702.334   58.221    72.339  3.0254  72.182  3.0114  0.1571045      4.268661 
1 1 1 -13 19  10 o 81.166  2.2459  889.656   48.825    883.174   69.243    896.065   68.856    80.868  3.1968  81.465  3.1556  -0.5967636     4.491880 
1 1 1 -13 19  11 o 15.321  2.5242  32.912    10.322    43.477    14.938    23.259    14.278    17.653  3.2800  12.988  3.8378  4.664750       5.048472 
1 1 1 -13 19  12 o 18.772  2.3771  49.999    11.344    35.468    16.003    64.675    16.083    15.840  3.8170  21.703  2.8343  -5.863830      4.754204 
1 1 1 -13 19  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 19  14 o 19.756  2.3506  54.435    11.929    63.609    17.189    45.911    16.569    21.448  3.0804  18.063  3.5513  3.384993       4.701150 
1 1 1 -13 19  15 o 17.875  2.4946  45.380    11.496    36.451    16.306    54.205    16.211    16.014  3.8492  19.737  3.1741  -3.723522      4.989128 
1 1 1 -13 19  16 o 24.627  2.1782  83.662    14.053    83.573    19.967    83.749    19.784    24.610  3.0977  24.644  3.0632  -0.3420639E-01 4.356449 
1 1 1 -13 19  17 o 12.473  2.6196  20.707    9.9318    31.317    14.262    10.717    13.839    14.835  3.6209  10.111  3.7865  4.723457       5.239139 
1 1 1 -13 19  18 o 36.143  2.0379  179.113   19.519    166.646   27.684    191.437   27.525    34.851  2.9948  37.434  2.7648  -2.582439      4.075861 
1 1 1 -13 19  19 o 42.766  2.0040  250.480   22.800    238.133   32.306    262.732   32.182    41.686  2.9117  43.846  2.7542  -2.160809      4.007942 
1 1 1 -13 19  20 o 38.675  2.0512  205.592   21.047    222.878   30.088    189.028   29.453    40.307  2.8044  37.042  2.9941  3.264870       4.102345 
1 1 1 -13 19  21 o 16.342  2.7855  38.785    12.050    37.949    17.227    39.585    16.860    16.158  4.0014  16.526  3.8760  -0.3683720     5.570913 
1 1 1 -13 19  22 o 36.574  2.1222  186.097   20.503    166.630   29.010    205.525   28.981    34.574  3.1679  38.574  2.8247  -3.999657      4.244315 
1 1 1 -13 19  23 o 20.939  3.7573  63.441    20.298    63.441    20.298    0.0000    0.0000    20.939  3.7573  ?       ?       ?              ?        
1 1 1 -13 19  24 o 35.326  2.1745  175.293   20.314    161.126   28.624    189.670   28.834    33.812  3.1986  36.840  2.9468  -3.027954      4.349086 
1 1 1 -13 19  25 o 5.9574  1.9996  -14.1375  8.6416    -16.8267  12.458    -11.6432  11.997    5.7970  2.7810  6.1178  2.8740  -0.3208289     3.999186 
1 1 1 -13 19  26 o 24.977  2.5091  90.621    16.053    73.054    22.373    109.261   23.046    22.247  3.8965  27.707  3.1621  -5.459484      5.018148 
1 1 1 -13 19  27 o 24.134  2.5727  85.057    16.065    77.487    22.559    92.846    22.882    22.935  3.8055  25.333  3.4630  -2.397139      5.145344 
1 1 1 -13 19  28 o 29.830  2.4624  129.510   19.147    144.695   27.010    114.171   27.147    31.774  3.2180  27.885  3.7279  3.889187       4.924736 
1 1 1 -13 19  29 o 12.013  2.9318  19.059    12.255    31.206    17.377    7.0386    17.286    14.228  4.2408  9.7972  4.0493  4.430866       5.863518 
1 1 1 -13 19  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 20  1  o 84.987  2.2483  971.770   51.175    978.409   72.043    965.008   72.708    85.283  3.1538  84.691  3.2052  0.5922775      4.496646 
1 1 1 -13 20  2  o 81.605  2.2079  895.959   48.257    882.245   67.964    909.904   68.532    80.974  3.1336  82.236  3.1113  -1.262238      4.415841 
1 1 1 -13 20  3  o 141.044 3.0575  2689.99   115.486   2622.35   162.950   2758.26   163.697   139.249 4.3689  142.840 4.2786  -3.591248      6.115038 
1 1 1 -13 20  4  o 114.882 2.6675  1781.71   82.065    1738.17   115.847   1825.56   116.270   113.463 3.8119  116.300 3.7325  -2.836922      5.334978 
1 1 1 -13 20  5  o 35.548  1.9685  171.603   18.504    153.783   26.223    189.278   26.116    33.671  2.9370  37.425  2.6219  -3.753460      3.937006 
1 1 1 -13 20  6  o 41.957  1.9382  237.962   21.662    237.726   30.555    238.201   30.716    41.937  2.7351  41.978  2.7470  -0.4044342E-01 3.876452 
1 1 1 -13 20  7  o 55.206  1.9929  411.138   29.413    420.556   41.799    401.900   41.396    55.872  2.7931  54.540  2.8435  1.331852       3.985834 
1 1 1 -13 20  8  f 54.170  1.9953  396.684   28.849    402.833   40.984    390.645   40.615    54.589  2.8125  53.751  2.8310  0.8377113      3.990607 
1 1 1 -13 20  9  o 39.736  1.9648  214.275   20.756    205.534   29.587    222.745   29.126    38.920  2.8582  40.553  2.6968  -1.632950      3.929642 
1 1 1 -13 20  10 o 33.197  1.9755  149.963   17.387    143.824   24.669    156.023   24.509    32.504  2.8627  33.889  2.7230  -1.385448      3.950927 
1 1 1 -13 20  11 o 25.808  4.9341  94.647    32.865    0.0000    0.0000    94.647    32.865    ?       ?       25.808  4.9341  ?              ?        
1 1 1 -13 20  12 f 33.453  2.3678  155.792   20.098    162.586   25.552    144.768   32.548    34.556  2.7842  32.351  3.8307  2.205330       4.735599 
1 1 1 -13 20  13 o 15.892  2.5513  35.826    10.762    47.127    15.447    25.168    15.002    18.355  3.2613  13.428  3.9242  4.927526       5.102530 
1 1 1 -13 20  14 f 75.212  2.2244  769.238   44.804    788.179   63.690    750.681   63.040    76.137  3.1231  74.287  3.1682  1.849411       4.448729 
1 1 1 -13 20  15 o 31.006  2.1058  131.850   17.270    131.150   24.612    132.529   24.241    30.916  3.0103  31.096  2.9456  -0.1794891     4.211700 
1 1 1 -13 20  16 o 16.329  2.6601  37.989    11.441    44.525    16.446    31.860    15.926    17.719  3.5884  14.939  3.9280  2.780030       5.320271 
1 1 1 -13 20  17 o 36.499  2.0331  182.555   19.713    186.309   28.028    178.879   27.732    36.877  2.8599  36.121  2.8906  0.7557983      4.066294 
1 1 1 -13 20  18 o 18.320  2.6371  48.178    12.490    43.660    17.947    52.421    17.392    17.412  3.9402  19.229  3.5059  -1.817863      5.274166 
1 1 1 -13 20  19 o 73.378  2.2520  740.956   44.257    730.697   62.613    751.199   62.565    72.855  3.2086  73.900  3.1608  -1.044693      4.503983 
1 1 1 -13 20  20 o 33.180  2.1533  152.954   18.879    164.396   26.783    141.652   26.617    34.467  2.9288  31.893  3.1573  2.574432       4.306569 
1 1 1 -13 20  21 o 13.306  4.1782  25.205    16.586    0.0000    0.0000    25.205    16.586    ?       ?       13.306  4.1782  ?              ?        
1 1 1 -13 20  22 o 14.757  2.8804  31.985    12.080    41.475    17.095    22.520    17.073    16.787  3.8798  12.726  4.2584  4.061757       5.760769 
1 1 1 -13 20  23 o 36.785  2.1738  190.115   21.219    194.214   30.217    186.127   29.804    37.186  3.0610  36.384  3.0873  0.8014488      4.347589 
1 1 1 -13 20  24 o 38.039  2.2124  204.941   22.131    174.303   31.054    236.562   31.549    34.979  3.3558  41.100  2.8841  -6.121323      4.424840 
1 1 1 -13 20  25 o 12.184  2.9089  20.298    11.595    12.869    16.318    27.875    16.478    10.683  4.0861  13.685  4.1412  -3.002383      5.817721 
1 1 1 -13 20  26 o 17.120  2.9091  44.557    13.624    61.672    19.510    28.268    19.034    20.446  3.6988  13.795  4.4913  6.650709       5.818296 
1 1 1 -13 20  27 o 22.073  2.8334  73.542    16.048    60.752    22.530    86.714    22.863    19.864  4.3546  24.282  3.6265  -4.418020      5.666882 
1 1 1 -13 20  28 o 18.902  3.0018  55.887    14.935    44.207    21.114    67.585    21.130    16.669  4.5854  21.136  3.8752  -4.466442      6.003587 
1 1 1 -13 20  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 21  1  o 37.613  1.9444  191.253   19.449    186.206   27.244    196.498   27.774    37.103  2.7613  38.123  2.7382  -1.019966      3.888738 
1 1 1 -13 21  2  o 30.438  1.9548  125.803   15.747    130.575   22.139    120.916   22.404    31.038  2.6896  29.838  2.8374  1.199862       3.909563 
1 1 1 -13 21  3  o 42.839  1.9354  248.076   22.087    251.326   31.118    244.776   31.355    43.127  2.7076  42.551  2.7662  0.5762749      3.870728 
1 1 1 -13 21  4  o 73.682  2.1431  732.240   42.277    705.270   59.631    759.498   59.948    72.310  3.0788  75.055  2.9820  -2.744995      4.286192 
1 1 1 -13 21  5  o 43.904  1.9638  261.147   22.915    239.351   32.307    283.215   32.507    42.033  2.8871  45.775  2.6628  -3.742531      3.927548 
1 1 1 -13 21  6  o 138.578 3.0597  2616.55   113.557   2568.04   160.530   2665.14   160.659   137.271 4.3660  139.885 4.2879  -2.614029      6.119495 
1 1 1 -13 21  7  o 42.317  1.9525  242.697   22.009    242.512   31.074    242.883   31.178    42.301  2.7576  42.332  2.7649  -0.3122330E-01 3.905011 
1 1 1 -13 21  8  o 47.922  1.9863  311.458   25.370    300.541   35.899    322.349   35.858    47.069  2.8610  48.775  2.7560  -1.705585      3.972557 
1 1 1 -13 21  9  o 41.632  4.3889  240.132   48.204    0.0000    0.0000    240.132   48.204    ?       ?       41.632  4.3889  ?              ?        
1 1 1 -13 21  10 o 28.438  5.1692  115.361   37.924    115.361   37.924    0.0000    0.0000    28.438  5.1692  ?       ?       ?              ?        
1 1 1 -13 21  11 o 63.340  2.1083  544.301   35.765    555.242   50.803    533.551   50.359    63.976  2.9647  62.705  2.9984  1.271206       4.216656 
1 1 1 -13 21  12 o 67.400  2.1189  617.141   38.245    606.679   54.318    627.426   53.857    66.821  3.0349  67.979  2.9578  -1.157402      4.237846 
1 1 1 -13 21  13 o 63.281  2.1396  546.101   36.121    506.501   51.127    585.565   51.039    60.909  3.1446  65.654  2.9024  -4.744560      4.279274 
1 1 1 -13 21  14 o 14.486  2.4943  28.147    10.980    6.0149    15.133    52.752    15.956    9.5442  3.8468  19.427  3.1762  -9.882763      4.988642 
1 1 1 -13 21  15 o 16.007  2.7625  36.779    11.774    32.565    16.649    40.994    16.652    15.080  4.0403  16.934  3.7684  -1.853777      5.524944 
1 1 1 -13 21  16 o 16.565  2.6957  39.499    11.911    52.173    17.049    27.417    16.647    19.208  3.4402  13.921  4.1511  5.287386       5.391321 
1 1 1 -13 21  17 o 19.275  2.7027  53.693    13.440    39.750    18.826    68.185    19.193    16.537  4.2326  22.013  3.3619  -5.476070      5.405347 
1 1 1 -13 21  18 o 50.130  2.1308  346.912   28.453    331.168   40.272    362.603   40.204    48.954  3.0871  51.306  2.9378  -2.352276      4.261606 
1 1 1 -13 21  19 o 12.051  2.8655  18.649    11.494    8.9116    16.440    27.958    16.075    10.197  4.0431  13.905  4.0617  -3.707984      5.731020 
1 1 1 -13 21  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 21  21 o 38.474  2.1737  207.508   22.210    206.299   31.597    208.690   31.226    38.347  3.1029  38.602  3.0449  -0.2549400     4.347337 
1 1 1 -13 21  22 o 16.357  2.9368  40.049    13.094    50.366    18.805    30.341    18.242    18.424  3.9306  14.290  4.3646  4.134106       5.873661 
1 1 1 -13 21  23 o 31.520  2.2977  141.669   19.086    135.847   27.319    147.220   26.676    30.814  3.3647  32.225  3.1301  -1.410624      4.595491 
1 1 1 -13 21  24 o 21.218  2.7193  66.680    14.877    65.237    21.294    68.055    20.793    20.940  3.9412  21.496  3.7476  -0.5559616     5.438527 
1 1 1 -13 21  25 o 16.191  3.0837  40.379    13.743    35.515    19.585    45.097    19.289    15.205  4.4953  17.176  4.2225  -1.970121      6.167449 
1 1 1 -13 21  26 o 23.190  2.7944  82.129    16.390    60.744    23.333    102.958   23.027    19.727  4.5137  26.654  3.2957  -6.927275      5.588826 
1 1 1 -13 21  27 o 11.032  2.7443  12.728    11.901    -7.3771   17.350    30.595    16.355    8.0156  3.6544  14.048  4.0952  -6.032294      5.488633 
1 1 1 -13 22  1  o 73.201  2.1274  723.011   41.701    733.699   58.642    712.078   59.311    73.755  2.9684  72.646  3.0481  1.108772       4.254704 
1 1 1 -13 22  2  o 27.650  2.0024  104.289   14.568    114.123   20.704    94.646    20.502    28.977  2.6985  26.322  2.9592  2.654829       4.004822 
1 1 1 -13 22  3  o 73.389  2.1423  727.480   42.109    716.773   59.240    738.415   59.866    72.842  3.0363  73.936  3.0230  -1.094254      4.284564 
1 1 1 -13 22  4  o 90.068  2.3522  1098.87   56.739    1111.94   80.014    1085.66   80.471    90.615  3.2967  89.520  3.3560  1.095230       4.704372 
1 1 1 -13 22  5  o 58.580  2.0294  463.821   31.842    464.239   44.942    463.400   45.122    58.608  2.8629  58.553  2.8771  0.5565262E-01  4.058788 
1 1 1 -13 22  6  o 70.572  2.1673  674.803   40.953    694.373   57.877    655.180   57.956    71.609  3.0175  69.535  3.1118  2.074570       4.334566 
1 1 1 -13 22  7  o 28.161  4.7867  112.177   34.813    0.0000    0.0000    112.177   34.813    ?       ?       28.161  4.7867  ?              ?        
1 1 1 -13 22  8  o 103.713 5.5520  1507.56   153.670   1507.56   153.670   0.0000    0.0000    103.713 5.5520  ?       ?       ?              ?        
1 1 1 -13 22  9  o 61.689  2.0910  516.466   34.542    530.899   49.000    502.207   48.702    62.555  2.9244  60.823  2.9894  1.731491       4.181995 
1 1 1 -13 22  10 o 52.934  2.0379  381.445   28.780    375.393   40.820    387.426   40.583    52.506  2.9140  53.362  2.8496  -0.8564339     4.075751 
1 1 1 -13 22  11 o 63.456  2.1471  549.387   36.350    511.438   51.529    586.980   51.287    61.192  3.1546  65.720  2.9135  -4.527882      4.294189 
1 1 1 -13 22  12 o 58.771  2.1133  471.452   33.139    439.282   46.809    503.776   46.921    56.682  3.0949  60.859  2.8784  -4.176327      4.226540 
1 1 1 -13 22  13 o 38.579  2.0957  204.763   21.349    179.304   30.141    230.395   30.243    36.093  3.1493  41.065  2.7657  -4.971626      4.191323 
1 1 1 -13 22  14 o 14.631  2.7819  30.707    11.174    27.544    15.862    33.824    15.745    13.920  4.0257  15.342  3.8405  -1.422194      5.563787 
1 1 1 -13 22  15 o 16.663  2.7763  40.133    12.182    39.491    17.579    40.726    16.897    16.518  4.0129  16.808  3.8376  -0.2904453     5.552535 
1 1 1 -13 22  16 o 19.235  2.6746  53.374    13.274    46.907    18.837    59.753    18.709    17.976  4.0139  20.495  3.5358  -2.519520      5.349118 
1 1 1 -13 22  17 o 53.952  2.1530  402.841   30.975    391.907   43.907    413.676   43.704    53.192  3.0951  54.711  2.9936  -1.519890      4.306002 
1 1 1 -13 22  18 o 28.360  3.2782  113.256   24.443    0.0000    0.0000    113.256   24.443    ?       ?       28.360  3.2782  ?              ?        
1 1 1 -13 22  19 o 14.843  3.0334  32.559    12.751    30.219    17.776    35.040    18.301    14.336  4.2930  15.350  4.2867  -1.014419      6.066790 
1 1 1 -13 22  20 o 25.264  2.4944  91.828    16.412    89.046    23.211    94.610    23.208    24.844  3.5923  25.684  3.4617  -0.8397255     4.988845 
1 1 1 -13 22  21 o 10.250  2.4584  2.9578    10.676    30.868    15.577    -21.7627  14.660    14.386  3.9309  6.1131  2.9535  8.272713       4.916776 
1 1 1 -13 22  22 o 31.299  2.3508  140.084   19.380    149.071   27.748    131.526   27.080    32.332  3.2481  30.266  3.3991  2.065550       4.701516 
1 1 1 -13 22  23 o 19.816  2.9389  59.430    15.112    67.002    21.439    51.952    21.304    21.219  3.9163  18.412  4.3831  2.807173       5.877820 
1 1 1 -13 22  24 o 29.011  2.5205  122.739   19.168    119.710   27.069    125.785   27.146    28.618  3.6119  29.405  3.5164  -0.7871494     5.040941 
1 1 1 -13 22  25 o 14.364  3.1666  31.745    13.731    39.116    19.493    24.488    19.343    15.790  4.4293  12.937  4.5266  2.852543       6.333155 
1 1 1 -13 22  26 o 31.359  2.4893  145.566   20.447    162.661   29.482    129.724   28.381    33.282  3.3529  29.436  3.6802  3.846313       4.978506 
1 1 1 -13 23  1  o 42.448  1.9307  244.548   21.808    253.508   30.515    235.194   31.179    43.263  2.6461  41.634  2.8124  1.628765       3.861493 
1 1 1 -13 23  2  o 63.844  2.0579  551.396   35.184    557.160   49.422    545.472   50.101    64.190  2.8745  63.498  2.9458  0.6921310      4.115855 
1 1 1 -13 23  3  o 30.630  2.0143  128.119   16.268    114.865   22.822    141.811   23.196    28.977  2.9830  32.282  2.7076  -3.305035      4.028616 
1 1 1 -13 23  4  o 22.743  2.2157  71.490    13.089    78.784    18.692    64.474    18.334    23.934  2.9803  21.552  3.2794  2.382215       4.431338 
1 1 1 -13 23  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 23  6  o 84.496  2.7694  967.981   59.914    939.733   74.273    1020.61   101.380   83.066  3.3382  85.926  4.4199  -2.860260      5.538897 
1 1 1 -13 23  7  o 60.776  2.0953  501.727   34.103    492.624   48.318    510.764   48.141    60.217  2.9957  61.335  2.9304  -1.117527      4.190647 
1 1 1 -13 23  8  o 56.982  2.0593  441.693   31.366    430.539   44.265    452.941   44.453    56.212  2.9503  57.752  2.8737  -1.540749      4.118559 
1 1 1 -13 23  9  o 22.090  2.3533  68.213    13.427    60.666    18.933    75.849    19.043    20.782  3.5275  23.399  3.1159  -2.617197      4.706576 
1 1 1 -13 23  10 o 72.541  2.2210  718.245   43.151    728.532   61.191    708.068   60.860    73.064  3.1268  72.018  3.1550  1.045692       4.441944 
1 1 1 -13 23  11 f 29.592  2.1679  121.037   16.886    112.684   24.025    129.193   23.739    28.533  3.1986  30.650  2.9272  -2.117365      4.335877 
1 1 1 -13 23  12 o 36.641  2.1211  184.728   20.583    200.928   29.400    169.154   28.826    38.261  2.8901  35.021  3.1053  3.240654       4.242107 
1 1 1 -13 23  13 o 17.050  2.7248  41.906    12.150    40.857    17.108    42.974    17.260    16.827  3.8758  17.273  3.8310  -0.4460831     5.449565 
1 1 1 -13 23  14 o 34.749  2.1805  167.886   19.932    145.796   28.096    190.264   28.279    32.344  3.2889  37.153  2.8638  -4.809532      4.361015 
1 1 1 -13 23  15 o 14.779  2.9548  31.599    12.413    24.296    17.438    39.099    17.672    13.207  4.2988  16.350  4.0551  -3.142759      5.909623 
1 1 1 -13 23  16 o 41.711  2.1744  242.401   24.083    229.275   34.223    255.278   33.898    40.533  3.1777  42.890  2.9690  -2.356510      4.348852 
1 1 1 -13 23  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 23  18 o 11.561  2.8651  16.244    11.500    26.426    16.573    6.7885    15.971    13.457  4.1686  9.6650  3.9317  3.792124       5.730195 
1 1 1 -13 23  19 o 15.778  2.9869  37.524    13.061    29.514    18.432    45.604    18.512    14.104  4.4005  17.452  4.0399  -3.347792      5.973749 
1 1 1 -13 23  20 o 27.519  2.4515  108.996   17.541    124.801   25.362    94.502    24.287    29.563  3.2569  25.474  3.6651  4.089460       4.903059 
1 1 1 -13 23  21 o 21.029  2.8298  66.175    15.315    78.132    21.947    54.824    21.383    23.089  3.6716  18.968  4.3071  4.121662       5.659675 
1 1 1 -13 23  22 o 17.910  3.0824  49.375    14.658    46.697    20.722    52.057    20.736    17.382  4.4360  18.439  4.2808  -1.056822      6.164707 
1 1 1 -13 23  23 o 27.906  2.5816  114.283   18.733    129.038   27.157    100.890   25.874    29.756  3.4726  26.056  3.8208  3.699902       5.163115 
1 1 1 -13 23  24 o 38.505  2.3461  215.838   23.805    243.531   34.000    189.206   33.342    41.127  3.1094  35.883  3.5141  5.244015       4.692286 
1 1 1 -13 24  1  o 34.815  1.9676  165.031   18.175    154.901   25.375    175.705   26.046    33.700  2.8375  35.930  2.7267  -2.230064      3.935280 
1 1 1 -13 24  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 24  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 24  4  o 107.166 2.6042  1572.34   74.746    1545.21   105.314   1599.88   106.105   106.222 3.7015  108.109 3.6642  -1.886726      5.208452 
1 1 1 -13 24  5  o 70.978  2.1876  686.017   41.550    648.790   58.535    723.822   58.988    69.010  3.1668  72.947  3.0190  -3.937737      4.375267 
1 1 1 -13 24  6  o 31.101  2.0953  132.760   17.238    136.142   24.337    129.356   24.420    31.514  2.9163  30.689  3.0095  0.8252239      4.190682 
1 1 1 -13 24  7  o 36.702  2.0635  184.900   19.998    162.287   28.135    207.988   28.429    34.366  3.0895  39.038  2.7361  -4.671093      4.126948 
1 1 1 -13 24  8  o 51.323  2.0781  360.148   28.439    349.676   40.133    370.710   40.306    50.558  2.9768  52.088  2.9004  -1.530548      4.156183 
1 1 1 -13 24  9  f 8.1385  2.3032  0.3743    8.5478    -11.6814  12.160    12.150    12.018    6.2420  2.9198  10.035  3.5629  -3.792938      4.606435 
1 1 1 -13 24  10 o 25.189  2.2909  88.662    15.020    79.803    21.261    97.488    21.222    23.853  3.4262  26.524  3.0422  -2.670801      4.581878 
1 1 1 -13 24  11 o 45.653  2.1077  287.029   25.610    275.454   36.364    298.420   36.074    44.704  3.0552  46.601  2.9045  -1.896633      4.215494 
1 1 1 -13 24  12 o 19.439  2.6899  54.435    13.494    48.183    18.969    60.841    19.201    18.221  3.9968  20.658  3.6010  -2.437178      5.379766 
1 1 1 -13 24  13 o 30.014  2.3019  126.265   18.096    141.906   25.825    111.180   25.363    31.937  3.0563  28.091  3.4429  3.845888       4.603782 
1 1 1 -13 24  14 o 39.526  2.1753  217.554   22.847    217.136   32.373    217.968   32.249    39.483  3.0857  39.568  3.0669  -0.8499146E-01 4.350511 
1 1 1 -13 24  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 24  16 o 23.826  2.5796  82.061    15.936    81.631    22.719    82.478    22.359    23.743  3.6924  23.910  3.6031  -0.1664848     5.159104 
1 1 1 -13 24  17 o 29.618  2.3699  125.300   18.457    123.189   26.404    127.317   25.810    29.331  3.4254  29.904  3.2760  -0.5732956     4.739717 
1 1 1 -13 24  18 o 11.674  2.6285  14.588    11.482    -8.2039   16.485    36.062    16.001    7.8232  3.5649  15.524  3.8636  -7.700858      5.256996 
1 1 1 -13 24  19 o 21.130  2.8365  66.751    15.461    63.528    21.881    69.965    21.851    20.552  4.1184  21.708  3.9014  -1.156311      5.672916 
1 1 1 -13 24  20 o 7.5845  2.4391  -7.9685   10.947    -2.9243   15.492    -12.9995  15.471    8.1213  3.5965  7.0477  3.2957  1.073637       4.878127 
1 1 1 -13 24  21 o 29.608  2.5714  128.382   19.961    131.147   28.491    125.717   27.974    29.930  3.6281  29.286  3.6450  0.6439857      5.142866 
1 1 1 -13 24  22 o 12.421  3.1511  21.877    13.315    22.182    19.337    21.602    18.360    12.510  4.5109  12.331  4.4010  0.1789093      6.302187 
1 1 1 -13 24  23 o 16.671  3.2944  45.115    15.430    52.660    21.957    37.754    21.687    18.087  4.5394  15.256  4.7756  2.831194       6.588854 
1 1 1 -13 25  1  o 28.586  2.0507  112.201   15.471    116.855   21.845    107.517   21.913    29.204  2.8281  27.969  2.9705  1.235363       4.101457 
1 1 1 -13 25  2  o 74.873  2.1835  763.537   43.762    727.192   61.387    801.096   62.403    73.041  3.1378  76.704  3.0374  -3.663986      4.367075 
1 1 1 -13 25  3  o 25.269  2.1980  88.411    14.535    93.058    20.435    83.653    20.678    25.980  2.9912  24.557  3.2214  1.422979       4.395952 
1 1 1 -13 25  4  o 42.899  2.0188  251.514   22.970    223.788   32.067    280.733   32.919    40.421  2.9829  45.377  2.7210  -4.955791      4.037532 
1 1 1 -13 25  5  o 30.602  2.1239  129.052   17.100    144.011   24.416    114.651   23.957    32.404  2.8419  28.801  3.1572  3.602282       4.247849 
1 1 1 -13 25  6  o 77.243  2.2808  817.388   47.186    806.635   66.551    828.257   66.913    76.726  3.2384  77.761  3.2126  -1.035469      4.561586 
1 1 1 -13 25  7  o 20.480  2.5002  59.285    13.213    62.380    18.946    56.354    18.436    21.026  3.4861  19.934  3.5848  1.092392       5.000381 
1 1 1 -13 25  8  f 23.524  2.4014  78.442    14.470    64.539    20.580    92.036    20.350    21.291  3.7455  25.756  3.0064  -4.464775      4.802837 
1 1 1 -13 25  9  o 44.397  2.1066  271.615   24.903    276.867   35.420    266.482   35.020    44.829  2.9666  43.966  2.9916  0.8626175      4.213131 
1 1 1 -13 25  10 f 39.343  2.1297  214.305   22.252    205.164   31.519    223.389   31.420    38.471  3.0848  40.215  2.9373  -1.744190      4.259483 
1 1 1 -13 25  11 o 28.978  2.3343  117.885   17.793    120.103   25.317    115.721   25.013    29.256  3.2878  28.701  3.3147  0.5553169      4.668684 
1 1 1 -13 25  12 o 14.915  2.7689  31.480    12.392    11.887    17.282    52.215    17.778    10.819  4.1876  19.011  3.6236  -8.191322      5.537735 
1 1 1 -13 25  13 o 13.548  5.3975  18.788    29.429    0.0000    0.0000    18.788    29.429    ?       ?       13.548  5.3975  ?              ?        
1 1 1 -13 25  14 o 25.166  2.6091  92.009    16.927    103.033   23.785    80.695    24.095    26.871  3.3793  23.461  3.9763  3.410131       5.218289 
1 1 1 -13 25  15 o 14.712  3.0095  32.482    12.562    34.952    17.642    29.941    17.890    15.244  4.1908  14.181  4.3203  1.062243       6.018977 
1 1 1 -13 25  16 o 45.787  2.2797  297.440   27.774    292.930   39.414    301.887   39.145    45.411  3.2622  46.164  3.1853  -0.7528038     4.559354 
1 1 1 -13 25  17 o 31.961  2.3931  146.820   20.168    143.557   28.608    150.044   28.438    31.571  3.4387  32.352  3.3293  -0.7811699     4.786293 
1 1 1 -13 25  18 o 20.813  2.8637  65.379    15.357    77.337    21.844    53.692    21.594    22.933  3.6806  18.692  4.3882  4.241434       5.727391 
1 1 1 -13 25  19 o 7.0738  2.3215  -12.1150  10.646    -5.3059   15.328    -18.4622  14.799    7.7766  3.5009  6.3709  3.0496  1.405687       4.642911 
1 1 1 -13 25  20 o 18.815  3.1217  55.189    15.702    71.404    22.755    40.452    21.694    21.664  4.0709  15.966  4.7338  5.698551       6.243490 
1 1 1 -13 25  21 o 43.128  2.3876  271.679   27.330    287.372   38.975    256.497   38.334    44.441  3.2978  41.816  3.4535  2.624607       4.775166 
1 1 1 -13 26  1  o 14.950  2.6982  31.985    10.950    25.656    15.426    38.412    15.546    13.496  3.9895  16.404  3.6339  -2.907858      5.396408 
1 1 1 -13 26  2  o 12.748  2.7509  22.609    10.247    21.706    14.172    23.598    14.834    12.508  3.8515  12.988  3.9289  -0.4797773     5.501853 
1 1 1 -13 26  3  o 32.683  2.1056  147.127   18.222    152.314   25.805    141.969   25.734    33.278  2.9247  32.089  3.0300  1.189514       4.211239 
1 1 1 -13 26  4  o 8.7042  2.5165  3.7048    9.3362    0.6884    12.640    7.3261    13.849    7.9819  3.3909  9.4265  3.7193  -1.444571      5.033039 
1 1 1 -13 26  5  o 47.041  2.0719  304.135   25.961    292.733   36.707    315.547   36.723    46.133  2.9867  47.950  2.8725  -1.817184      4.143845 
1 1 1 -13 26  6  o 50.340  2.0902  349.022   27.992    320.908   39.403    377.667   39.773    48.234  3.0658  52.445  2.8419  -4.211426      4.180403 
1 1 1 -13 26  7  o 23.100  2.5102  75.875    14.986    70.368    21.430    81.146    20.964    22.195  3.7376  24.006  3.3519  -1.811060      5.020443 
1 1 1 -13 26  8  o 17.406  2.7942  44.162    12.727    45.124    18.229    43.246    17.776    17.591  3.9639  17.222  3.9391  0.3688011      5.588309 
1 1 1 -13 26  9  o 35.619  2.2145  177.021   20.829    158.484   29.072    196.571   29.856    33.627  3.2691  37.612  2.9882  -3.984844      4.428998 
1 1 1 -13 26  10 o 28.251  2.4122  113.710   17.673    96.929    25.036    130.375   24.950    26.004  3.6988  30.498  3.0972  -4.494886      4.824326 
1 1 1 -13 26  11 o 33.990  3.2850  163.117   29.535    0.0000    0.0000    163.117   29.535    ?       ?       33.990  3.2850  ?              ?        
1 1 1 -13 26  12 o 20.097  3.8754  59.468    20.105    59.468    20.105    0.0000    0.0000    20.097  3.8754  ?       ?       ?              ?        
1 1 1 -13 26  13 o 7.9724  2.3712  -4.9077   9.7857    -20.9937  13.758    11.561    13.921    5.8875  2.8486  10.057  3.7915  -4.169754      4.742350 
1 1 1 -13 26  14 f 10.629  2.8850  12.589    11.543    14.007    16.296    11.161    16.354    10.872  4.1013  10.386  4.0586  0.4867668      5.769994 
1 1 1 -13 26  15 o 17.040  2.9906  44.363    14.166    62.192    20.242    27.247    19.833    20.456  3.8353  13.624  4.5896  6.831718       5.981123 
1 1 1 -13 26  16 o 17.397  3.0109  46.462    14.167    58.983    20.206    34.356    19.868    19.831  3.9428  14.963  4.5517  4.867970       6.021887 
1 1 1 -13 26  17 o 16.601  3.1661  42.957    14.432    39.827    20.708    45.912    20.123    15.977  4.5938  17.225  4.3581  -1.248147      6.332167 
1 1 1 -13 26  18 o 18.039  3.2213  51.310    15.648    58.224    22.242    44.533    22.019    19.338  4.3939  16.740  4.7116  2.597353       6.442501 
1 1 1 -13 26  19 o 14.534  3.2977  33.331    14.550    32.326    20.564    34.338    20.588    14.344  4.6682  14.724  4.6591  -0.3798828     6.595435 
1 1 1 -13 26  20 o 20.181  3.2073  66.006    17.085    82.102    24.439    50.623    23.893    22.952  4.1272  17.411  4.9106  5.540878       6.414678 
1 1 1 -13 27  1  o 23.007  2.3822  74.770    14.151    81.500    19.667    67.546    20.376    24.184  3.1081  21.831  3.6110  2.352972       4.764390 
1 1 1 -13 27  2  o 57.587  2.0949  455.948   32.199    457.703   45.205    454.140   45.875    57.714  2.9339  57.460  2.9910  0.2542610      4.189756 
1 1 1 -13 27  3  o 22.560  2.4316  71.920    14.225    69.814    20.043    74.057    20.192    22.205  3.4846  22.914  3.3925  -0.7084961     4.863247 
1 1 1 -13 27  4  o 42.203  2.0841  246.011   23.410    243.699   32.965    248.363   33.250    42.002  2.9489  42.404  2.9458  -0.4029388     4.168141 
1 1 1 -13 27  5  o 10.712  2.8065  13.077    10.800    16.370    14.613    9.1133    16.032    11.274  3.9350  10.151  4.0027  1.123179       5.613021 
1 1 1 -13 27  6  o 10.704  2.8124  11.738    11.249    2.9594    15.907    20.521    15.909    9.1429  3.8395  12.266  4.1107  -3.122625      5.624897 
1 1 1 -13 27  7  o 37.091  2.2252  192.527   21.887    196.438   30.710    188.490   31.200    37.507  3.0842  36.675  3.2084  0.8323860      4.450468 
1 1 1 -13 27  8  o 32.261  2.2742  146.826   19.264    128.878   27.014    165.399   27.480    30.140  3.4060  34.383  3.0144  -4.242970      4.548354 
1 1 1 -13 27  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 27  10 o 40.793  2.5782  234.636   27.032    221.957   33.967    256.537   44.644    39.598  3.2307  41.988  4.0187  -2.390930      5.156301 
1 1 1 -13 27  11 o 16.629  2.9857  41.902    13.366    37.082    18.709    46.926    19.100    15.621  4.3243  17.637  4.1179  -2.016442      5.971334 
1 1 1 -13 27  12 o 35.727  2.3232  182.398   21.981    182.348   30.904    182.449   31.272    35.736  3.2647  35.718  3.3063  0.1792145E-01  4.646473 
1 1 1 -13 27  13 o 12.507  3.0167  21.910    12.375    15.259    17.504    28.557    17.499    11.229  4.2470  13.786  4.2855  -2.557698      6.033466 
1 1 1 -13 27  14 o 32.299  2.4213  150.821   20.605    143.797   29.126    157.858   29.153    31.477  3.5146  33.120  3.3314  -1.642818      4.842618 
1 1 1 -13 27  15 o 19.460  2.9479  58.820    15.271    34.188    21.350    84.624    21.852    14.871  4.7487  24.049  3.4946  -9.178391      5.895900 
1 1 1 -13 27  16 o 9.5892  2.8195  5.8735    12.007    2.8658    17.018    8.8548    16.943    9.1688  3.9157  10.010  4.0577  -0.8407936     5.638955 
1 1 1 -13 27  17 o 13.824  3.2737  28.979    14.408    36.370    21.097    22.519    19.724    15.104  4.7072  12.544  4.5508  2.560114       6.547328 
1 1 1 -13 27  18 o 28.303  2.7851  123.075   20.085    97.706    28.256    148.982   28.554    24.877  4.4016  31.728  3.4137  -6.850498      5.570232 
1 1 1 -13 28  1  o 28.113  2.2201  110.536   16.427    107.985   23.249    113.079   23.213    27.769  3.1832  28.456  3.0954  -0.6873150     4.440126 
1 1 1 -13 28  2  o 21.303  2.5543  64.919    14.030    59.113    19.404    71.280    20.311    20.248  3.7148  22.359  3.5068  -2.111639      5.108582 
1 1 1 -13 28  3  o 27.796  2.3569  109.202   17.166    114.231   24.085    104.010   24.472    28.505  3.2104  27.086  3.4515  1.418921       4.713793 
1 1 1 -13 28  4  o 9.0787  2.6058  2.8467    10.457    -6.7121   14.460    13.324    15.139    7.4700  3.3782  10.687  3.9685  -3.217253      5.211644 
1 1 1 -13 28  5  o 19.097  2.7448  53.944    13.583    69.858    19.444    38.776    18.983    22.089  3.3951  16.105  4.3139  5.983686       5.489641 
1 1 1 -13 28  6  o 17.013  2.8833  43.237    13.205    31.177    18.479    55.820    18.876    14.497  4.3852  19.528  3.7449  -5.030951      5.766658 
1 1 1 -13 28  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 28  8  o 67.161  2.3124  638.561   41.481    603.626   58.327    674.312   59.005    65.176  3.3525  69.146  3.1859  -3.970062      4.624833 
1 1 1 -13 28  9  o 22.098  2.7926  73.039    15.849    80.605    22.054    64.958    22.792    23.481  3.6232  20.714  4.2504  2.766562       5.585123 
1 1 1 -13 28  10 o 11.826  2.9520  17.821    12.341    28.318    17.248    6.8104    17.665    13.733  4.2523  9.9180  4.0958  3.814950       5.904088 
1 1 1 -13 28  11 o 40.351  2.3278  233.384   24.936    229.741   34.922    237.174   35.619    40.034  3.2857  40.669  3.2982  -0.6354980     4.655561 
1 1 1 -13 28  12 o 17.612  3.0499  47.808    14.343    40.797    19.993    55.243    20.588    16.199  4.4646  19.026  4.1562  -2.826544      6.099722 
1 1 1 -13 28  13 o 7.4245  2.4064  -10.5213  11.060    -1.6158   15.856    -18.9578  15.433    8.3383  3.6680  6.5107  3.1159  1.827652       4.812837 
1 1 1 -13 28  14 o 32.133  2.5459  152.336   21.292    130.078   29.979    174.991   30.246    29.503  3.8885  34.764  3.2872  -5.261562      5.091801 
1 1 1 -13 28  15 o 26.720  2.7786  108.017   19.290    109.544   27.537    106.546   27.030    26.902  3.9383  26.539  3.9206  0.3627663      5.557124 
1 1 1 -13 28  16 o 32.997  2.6109  163.879   22.611    153.859   32.224    173.598   31.736    31.834  3.8580  34.160  3.5189  -2.326017      5.221780 
1 1 1 -13 29  1  o 25.715  2.4635  94.755    16.468    101.820   23.122    87.483    23.458    26.789  3.2917  24.641  3.6660  2.148310       4.927001 
1 1 1 -13 29  2  o 33.749  2.1772  160.313   19.408    147.176   27.329    173.680   27.568    32.277  3.2034  35.220  2.9494  -2.942917      4.354388 
1 1 1 -13 29  3  o 12.346  2.9797  20.214    12.144    12.453    16.747    28.820    17.636    10.726  4.1304  13.967  4.2958  -3.240577      5.959402 
1 1 1 -13 29  4  o 31.078  5.6070  152.445   44.956    0.0000    0.0000    152.445   44.956    ?       ?       31.078  5.6070  ?              ?        
1 1 1 -13 29  5  o 15.031  4.4105  34.321    18.916    34.321    18.916    0.0000    0.0000    15.031  4.4105  ?       ?       ?              ?        
1 1 1 -13 29  6  o 14.649  3.0976  32.678    13.133    35.190    18.169    29.928    19.005    15.190  4.2815  14.108  4.4777  1.081935       6.195268 
1 1 1 -13 29  7  o 30.127  2.4118  131.302   19.027    118.114   26.749    144.810   27.071    28.465  3.5881  31.790  3.2238  -3.325441      4.823655 
1 1 1 -13 29  8  o 15.365  3.1735  36.174    13.993    29.509    19.227    43.680    20.404    13.970  4.5112  16.761  4.4648  -2.791066      6.347095 
1 1 1 -13 29  9  o 24.973  2.8062  93.513    18.089    98.035    25.108    88.633    26.083    25.748  3.7508  24.198  4.1751  1.549425       5.612497 
1 1 1 -13 29  10 o 23.115  2.9213  81.102    17.281    64.011    23.978    99.576    24.929    20.257  4.5325  25.973  3.6869  -5.715763      5.842660 
1 1 1 -13 29  11 o 10.846  2.9026  11.810    12.352    -0.0997   17.216    24.444    17.732    8.8361  3.8560  12.857  4.3396  -4.020583      5.805220 
1 1 1 -13 29  12 o 17.238  3.2910  47.498    15.562    50.454    22.252    44.668    21.772    17.775  4.6284  16.701  4.6797  1.073891       6.581903 
1 1 1 -13 29  13 o 27.139  2.7633  111.641   19.486    105.894   27.415    117.508   27.702    26.342  4.0123  27.936  3.8008  -1.594007      5.526652 
1 1 1 -13 29  14 f 22.382  3.1611  80.940    18.255    96.593    25.658    64.895    25.978    25.047  3.9560  19.717  4.9316  5.329489       6.322229 
1 1 1 -13 30  1  o 30.703  5.7591  151.612   45.622    0.0000    0.0000    151.612   45.622    ?       ?       30.703  5.7591  ?              ?        
1 1 1 -13 30  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -13 30  3  o 24.327  2.6157  87.433    16.394    97.784    23.118    76.964    23.251    25.967  3.4060  22.688  3.9707  3.278400       5.231407 
1 1 1 -13 30  4  o 30.893  2.4508  139.335   19.731    155.245   27.565    122.618   28.256    32.924  3.1648  28.863  3.7430  4.060822       4.901668 
1 1 1 -13 30  5  o 36.421  2.3491  191.532   22.594    206.142   31.919    176.859   31.988    37.938  3.1702  34.904  3.4674  3.034168       4.698184 
1 1 1 -13 30  6  o 10.234  2.8700  10.195    11.808    6.2246    16.503    14.359    16.902    9.5446  3.9517  10.923  4.1632  -1.378328      5.740064 
1 1 1 -13 30  7  o 16.756  3.0970  42.896    14.771    25.363    20.153    63.251    21.714    13.169  4.6197  20.343  4.1262  -7.174605      6.194074 
1 1 1 -13 30  8  o 22.541  2.9067  77.610    16.729    57.009    23.132    100.200   24.223    18.997  4.5960  26.085  3.5599  -7.088066      5.813409 
1 1 1 -13 30  9  o 27.954  2.7004  116.676   19.406    95.499    26.837    139.884   28.094    25.007  4.1522  30.900  3.4535  -5.892849      5.400729 
1 1 1 -13 30  10 o 13.042  3.2509  23.813    14.491    14.068    19.539    35.727    21.604    11.137  4.4103  14.948  4.7772  -3.810899      6.501708 
1 1 1 -13 30  11 o 24.811  2.9278  95.416    18.743    88.897    26.411    102.029   26.602    23.815  4.2986  25.807  3.9762  -1.991636      5.855641 
1 1 1 -13 30  12 o 21.134  3.1465  72.938    17.309    89.099    24.310    56.321    24.651    24.008  3.9155  18.259  4.9265  5.748226       6.292990 
1 1 1 -13 31  1  o 9.7874  2.8428  4.9551    11.871    -1.6973   15.095    15.735    19.216    8.1224  3.5758  11.452  4.4204  -3.329929      5.685635 
1 1 1 -13 31  2  o 6.1012  2.0641  -15.2588  9.2336    -10.3865  11.233    -25.4113  16.215    5.9346  2.7856  6.2677  3.0468  -0.3330731     4.128262 
1 1 1 -13 31  3  o 23.031  2.7306  79.831    16.208    81.964    22.346    77.463    23.545    23.477  3.6740  22.585  4.0405  0.8920841      5.461176 
1 1 1 -13 31  4  o 29.531  2.5309  128.390   19.599    126.732   27.200    130.179   28.265    29.368  3.5285  29.695  3.6292  -0.3268242     5.061772 
1 1 1 -13 31  5  o 15.752  3.0606  36.838    14.664    15.570    19.944    61.867    21.636    11.474  4.4825  20.030  4.1684  -8.555802      6.121158 
1 1 1 -13 31  6  o 14.503  2.8032  26.848    14.031    -3.2483   19.117    61.987    20.657    8.8692  3.9574  20.136  3.9712  -11.26710      5.606370 
1 1 1 -13 31  7  o 19.432  3.1281  59.770    16.316    39.093    22.441    82.957    23.764    15.531  4.8573  23.333  3.9430  -7.802088      6.256236 
1 1 1 -13 31  8  o 22.737  3.0583  82.787    17.781    105.741   24.994    59.268    25.300    26.573  3.6047  18.901  4.9417  7.671974       6.116693 
1 1 1 -13 31  9  f 15.774  3.3152  40.706    15.355    30.650    21.315    51.554    22.138    13.839  4.7568  17.709  4.6189  -3.870626      6.630358 
1 1 1 -13 31  10 o 27.047  2.8674  115.036   19.999    126.633   28.102    103.134   28.468    28.734  3.7400  25.360  4.3475  3.374140       5.734838 
1 1 1 -13 32  1  o 23.944  2.7631  86.578    16.991    73.037    23.416    101.638   24.694    21.750  4.1712  26.138  3.6248  -4.388241      5.526152 
1 1 1 -13 32  2  o 15.646  3.2918  39.212    14.798    38.436    20.334    40.086    21.576    15.515  4.5787  15.778  4.7307  -0.2631531     6.583590 
1 1 1 -13 32  3  o 10.224  2.9155  10.050    12.422    13.941    16.885    5.4602    18.338    10.741  4.1442  9.7080  4.1021  1.032789       5.831092 
1 1 1 -13 32  4  o 17.069  3.2265  46.585    15.165    37.629    20.661    57.044    22.328    15.264  4.6412  18.874  4.4833  -3.609460      6.453012 
1 1 1 -13 32  5  o 12.423  2.8990  19.711    13.686    41.424    18.473    -6.7070   20.377    16.126  4.2258  8.7204  3.9698  7.405454       5.797954 
1 1 1 -13 32  6  o 10.991  3.1193  13.268    14.082    8.2713    19.306    18.950    20.587    10.141  4.2424  11.840  4.5740  -1.699577      6.238534 
1 1 1 -13 32  7  o 42.705  2.4508  273.312   27.757    256.206   38.649    291.531   39.887    41.232  3.5338  44.179  3.3968  -2.946827      4.901624 
1 1 1 -13 33  1  o 14.239  3.2703  32.748    14.286    34.159    19.354    31.058    21.175    14.544  4.5047  13.934  4.7421  0.6097822      6.540605 
1 1 1 -13 33  2  o 9.9515  2.8037  7.4378    12.639    20.852    16.307    -12.7467  20.003    11.833  4.1553  8.0705  3.7651  3.762033       5.607348 
1 1 1 -13 33  3  o 25.185  2.9343  100.421   19.006    107.011   26.266    93.178    27.537    26.338  3.8358  24.032  4.4416  2.306370       5.868679 
1 1 1 -13 33  4  o 15.506  3.1627  38.674    14.764    21.696    20.035    58.853    21.842    12.090  4.5503  18.922  4.3938  -6.832171      6.325377 
1 1 1 -13 33  5  o 28.889  2.7568  131.216   20.759    123.371   28.909    139.567   29.829    27.903  3.9810  29.875  3.8147  -1.972389      5.513610 
1 1 1 -13 34  1  o 10.317  2.9505  10.963    13.307    20.278    17.755    -0.9760   20.101    11.605  4.3000  9.0285  4.0411  2.576303       5.900902 
1 1 1 -12 -32 13 o 18.906  3.3588  54.177    16.975    74.373    26.860    40.746    21.904    21.743  4.7454  16.070  4.7549  5.672842       6.717686 
1 1 1 -12 -32 14 o 18.792  3.3882  53.638    17.806    82.249    27.222    32.242    23.541    23.029  4.5746  14.556  4.9992  8.473067       6.776340 
1 1 1 -12 -32 15 o 33.443  2.7106  165.810   23.624    147.300   33.822    183.443   33.011    31.355  4.1275  35.530  3.5149  -4.175266      5.421292 
1 1 1 -12 -32 16 o 13.855  3.5436  27.734    17.231    18.731    26.502    34.328    22.680    12.805  5.1155  14.904  4.9050  -2.098549      7.087125 
1 1 1 -12 -32 17 o 47.075  2.4781  321.721   30.774    366.203   43.782    278.286   43.263    50.558  3.2503  43.591  3.7416  6.967262       4.956234 
1 1 1 -12 -32 18 o 15.820  2.9051  35.896    17.274    -19.7887  26.788    75.539    22.602    9.1828  4.3076  22.456  3.8991  -13.27365      5.810148 
1 1 1 -12 -32 19 o 11.907  3.3839  15.091    16.215    13.378    26.397    16.130    20.549    12.109  5.0043  11.704  4.5562  0.4049578      6.767712 
1 1 1 -12 -32 20 o 12.824  3.3772  18.013    17.658    -8.0059   26.432    38.985    23.730    9.9765  4.5337  15.672  5.0067  -5.695617      6.754338 
1 1 1 -12 -32 21 o 17.930  3.6661  51.455    18.728    65.394    28.246    40.520    25.018    19.970  5.2217  15.890  5.1474  4.079213       7.332285 
1 1 1 -12 -32 22 o 34.544  2.8659  179.428   25.970    181.828   37.880    177.301   35.673    34.662  4.1634  34.426  3.9396  0.2356796      5.731881 
1 1 1 -12 -32 23 o 9.3117  3.0250  -17.6713  16.702    7.3757    27.910    -31.6466  20.848    11.550  4.9753  7.0734  3.4422  4.476592       6.049943 
1 1 1 -12 -31 6  o 29.625  2.5732  127.513   19.892    144.519   29.329    113.024   27.071    31.532  3.5333  27.719  3.7418  3.813601       5.146411 
1 1 1 -12 -31 7  o 36.863  3.5211  196.318   34.343    196.318   34.343    0.0000    0.0000    36.863  3.5211  ?       ?       ?              ?        
1 1 1 -12 -31 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -31 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -31 10 o 8.6293  3.6027  3.5615    13.882    0.0000    0.0000    3.5615    13.882    ?       ?       8.6293  3.6027  ?              ?        
1 1 1 -12 -31 11 o 32.366  2.5854  152.754   21.716    134.505   31.674    168.941   29.831    30.276  4.0041  34.455  3.2717  -4.179438      5.170780 
1 1 1 -12 -31 12 o 15.587  3.0193  28.991    15.103    68.663    24.004    2.9938    19.431    21.341  4.3470  9.8331  4.1914  11.50773       6.038523 
1 1 1 -12 -31 13 o 15.882  3.2424  33.683    16.154    64.435    24.783    10.967    21.301    20.528  4.6190  11.237  4.5516  9.291228       6.484766 
1 1 1 -12 -31 14 o 16.217  3.5493  39.592    17.094    49.345    25.465    31.593    23.063    17.781  5.0888  14.652  4.9492  3.128724       7.098597 
1 1 1 -12 -31 15 o 25.740  3.0489  99.987    20.024    85.879    29.299    112.352   27.430    23.690  4.7823  27.790  3.7834  -4.100468      6.097874 
1 1 1 -12 -31 16 o 52.859  2.3562  396.308   33.185    403.609   46.996    389.047   46.866    53.371  3.3037  52.347  3.3603  1.024025       4.712338 
1 1 1 -12 -31 17 o 21.994  3.3914  73.501    19.592    99.293    29.153    52.260    26.457    25.748  4.3843  18.240  5.1754  7.507519       6.782883 
1 1 1 -12 -31 18 o 34.018  2.6844  167.923   24.024    168.391   34.640    167.489   33.346    34.013  3.8713  34.023  3.7198  -0.1040649E-01 5.368841 
1 1 1 -12 -31 19 o 39.343  2.6095  223.868   26.986    196.262   37.951    252.102   38.381    36.686  3.9231  42.000  3.4420  -5.313862      5.218970 
1 1 1 -12 -31 20 o 25.342  3.1755  98.561    20.502    82.089    30.024    112.951   28.063    22.930  5.0271  27.754  3.8812  -4.823910      6.351039 
1 1 1 -12 -31 21 o 16.273  3.6929  41.536    18.533    32.657    28.154    48.326    24.620    15.004  5.4380  17.543  4.9978  -2.539246      7.385785 
1 1 1 -12 -31 22 o 34.010  2.8378  170.867   25.243    159.878   36.278    181.180   35.147    32.768  4.2323  35.252  3.7814  -2.483692      5.675523 
1 1 1 -12 -31 23 o 19.221  3.6272  55.918    20.447    91.641    30.917    28.149    27.259    24.211  4.9350  14.232  5.3171  9.979005       7.254404 
1 1 1 -12 -31 24 o 27.375  4.5032  114.337   31.871    0.0000    0.0000    114.337   31.871    ?       ?       27.375  4.5032  ?              ?        
1 1 1 -12 -31 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -31 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -31 27 o 15.018  3.3792  27.888    19.815    -17.3566  29.137    66.817    27.027    9.7386  4.5435  20.298  5.0032  -10.55926      6.758382 
1 1 1 -12 -31 28 o 13.148  3.5142  22.394    18.083    5.0410    26.762    36.975    24.531    11.124  4.8315  15.172  5.1043  -4.047788      7.028352 
1 1 1 -12 -31 29 o 10.712  3.1018  -13.6951  17.327    35.367    26.199    -51.8432  23.101    14.823  5.2607  6.6017  3.2877  8.221100       6.203534 
1 1 1 -12 -30 2  o 9.0149  4.0466  -5.5057   20.310    -5.5057   20.310    0.0000    0.0000    9.0149  4.0466  ?       ?       ?              ?        
1 1 1 -12 -30 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -30 4  o 38.559  3.2962  222.786   28.907    222.232   55.939    222.988   33.765    37.455  5.7604  39.664  3.2056  -2.209072      6.592305 
1 1 1 -12 -30 5  o 16.793  3.1525  43.804    14.787    31.413    22.160    53.751    19.854    14.596  4.8507  18.990  4.0281  -4.394342      6.305100 
1 1 1 -12 -30 6  o 13.725  3.3332  24.773    14.903    37.324    23.269    16.044    19.404    15.712  4.9512  11.737  4.4638  3.974860       6.666322 
1 1 1 -12 -30 7  o 26.785  2.6536  103.612   18.479    107.329   27.154    100.405   25.220    27.196  3.8341  26.374  3.6695  0.8215256      5.307107 
1 1 1 -12 -30 8  f 26.430  2.7009  100.343   18.450    116.549   27.466    87.017    24.906    28.452  3.6911  24.408  3.9442  4.043943       5.401894 
1 1 1 -12 -30 9  o 11.114  3.1055  10.282    13.570    19.390    21.548    4.2946    17.470    12.594  4.7231  9.6339  4.0335  2.960406       6.211029 
1 1 1 -12 -30 10 o 26.300  2.7563  101.289   18.609    90.370    27.265    110.810   25.460    24.743  4.2682  27.856  3.4888  -3.113100      5.512671 
1 1 1 -12 -30 11 o 30.260  2.5792  130.755   20.355    149.328   29.603    114.097   28.035    32.410  3.4636  28.111  3.8225  4.299965       5.158318 
1 1 1 -12 -30 12 o 10.453  2.9713  9.1644    12.440    8.8496    20.300    9.3538    15.742    10.851  4.4254  10.056  3.9661  0.7952824      5.942561 
1 1 1 -12 -30 13 o 39.730  2.3850  223.108   25.041    246.720   35.786    200.454   35.052    41.898  3.2133  37.562  3.5252  4.335335       4.769986 
1 1 1 -12 -30 14 o 21.437  3.2483  68.764    18.066    76.571    26.649    62.124    24.576    22.598  4.5601  20.276  4.6273  2.321705       6.496634 
1 1 1 -12 -30 15 o 24.601  3.1316  93.664    19.343    60.218    28.082    123.858   26.682    19.706  5.2325  29.496  3.4421  -9.789333      6.263147 
1 1 1 -12 -30 16 o 35.883  2.5011  183.190   23.624    203.765   33.928    163.827   32.913    37.947  3.3732  33.818  3.6936  4.129272       5.002102 
1 1 1 -12 -30 17 o 49.654  2.3458  347.923   30.882    386.460   43.997    310.501   43.356    52.504  3.1430  46.805  3.4833  5.699120       4.691680 
1 1 1 -12 -30 18 o 23.921  3.1116  86.415    19.015    73.348    27.957    97.664    25.939    21.907  4.8885  25.935  3.8510  -4.027649      6.223194 
1 1 1 -12 -30 19 o 46.648  2.4058  308.058   29.850    312.464   42.232    303.659   42.195    47.001  3.3772  46.295  3.4272  0.7063026      4.811503 
1 1 1 -12 -30 20 o 32.231  2.6866  149.620   22.690    163.465   32.845    136.982   31.381    33.730  3.6960  30.732  3.9000  2.997799       5.373138 
1 1 1 -12 -30 21 o 35.216  2.6255  178.463   24.367    173.825   34.851    182.899   34.083    34.699  3.8126  35.732  3.6108  -1.032227      5.251054 
1 1 1 -12 -30 22 o 46.689  2.4487  310.370   30.306    338.193   43.057    283.052   42.664    48.893  3.3073  44.485  3.6119  4.408001       4.897317 
1 1 1 -12 -30 23 o 19.131  3.4496  55.890    18.221    76.371    26.746    38.150    24.892    22.418  4.6082  15.844  5.1347  6.574009       6.899278 
1 1 1 -12 -30 24 o 31.406  2.8128  144.360   23.118    149.394   32.828    139.407   32.563    31.998  3.9117  30.814  4.0429  1.183926       5.625556 
1 1 1 -12 -30 25 o 17.789  3.6069  49.408    19.165    69.434    26.937    28.881    27.272    21.146  4.8580  14.432  5.3329  6.714798       7.213880 
1 1 1 -12 -30 26 o 30.300  3.1215  138.932   23.907    175.017   34.195    104.426   33.438    34.690  3.7392  25.910  4.9994  8.780540       6.243029 
1 1 1 -12 -30 27 o 29.372  2.9430  128.614   22.495    131.934   32.407    125.526   31.249    29.725  4.1862  29.019  4.1376  0.7069435      5.885913 
1 1 1 -12 -30 28 o 32.325  2.9149  155.658   24.611    160.413   36.172    151.559   33.584    32.705  4.2283  31.945  4.0136  0.7598705      5.829878 
1 1 1 -12 -30 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -30 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -30 31 o 17.451  3.8408  51.348    19.844    51.235    29.190    51.446    27.059    17.377  5.5529  17.525  5.3076  -0.1481438     7.681531 
1 1 1 -12 -30 32 o 10.205  3.1478  1.6171    16.694    -12.3057  26.022    11.354    21.762    9.4062  4.3561  11.004  4.5453  -1.597450      6.295630 
1 1 1 -12 -29 1  o 24.011  2.7958  85.403    17.184    73.727    24.833    96.130    23.804    22.186  4.3345  25.836  3.5323  -3.650248      5.591510 
1 1 1 -12 -29 2  o 22.492  2.9006  76.208    16.588    62.551    24.639    87.530    22.433    20.296  4.6342  24.688  3.4898  -4.391912      5.801237 
1 1 1 -12 -29 3  o 12.208  3.0645  19.569    12.845    12.263    19.652    25.018    16.972    11.221  4.4295  13.195  4.2360  -1.973916      6.128999 
1 1 1 -12 -29 4  o 28.000  2.5336  112.936   18.374    103.280   26.975    121.294   25.096    26.708  3.8846  29.291  3.2537  -2.583282      5.067261 
1 1 1 -12 -29 5  o 25.355  2.6859  91.331    17.511    110.472   26.587    76.665    23.272    27.765  3.6645  22.945  3.9278  4.819935       5.371821 
1 1 1 -12 -29 6  o 30.994  2.4651  136.285   19.684    170.155   28.682    106.132   27.062    34.849  3.1053  27.139  3.8293  7.709715       4.930162 
1 1 1 -12 -29 7  o 17.128  3.2541  44.335    15.191    41.508    23.308    46.424    20.030    16.604  4.9026  17.653  4.2805  -1.048920      6.508295 
1 1 1 -12 -29 8  o 10.554  2.9642  6.7564    12.697    19.618    20.117    -1.7590   16.369    12.511  4.5872  8.5971  3.7556  3.914135       5.928490 
1 1 1 -12 -29 9  o 32.774  2.3916  151.518   20.654    163.750   29.780    140.180   28.670    34.097  3.3021  31.451  3.4606  2.646568       4.783283 
1 1 1 -12 -29 10 o 22.249  3.0095  72.690    17.181    101.627   25.368    48.170    23.351    26.647  3.6502  17.852  4.7858  8.794609       6.018960 
1 1 1 -12 -29 11 o 32.989  2.4157  153.693   21.025    159.910   30.229    147.867   29.263    33.648  3.4007  32.330  3.4318  1.318344       4.831385 
1 1 1 -12 -29 12 o 32.965  2.4373  153.608   21.039    176.733   30.364    132.252   29.179    35.476  3.2309  30.453  3.6500  5.022732       4.874521 
1 1 1 -12 -29 13 o 42.272  2.2851  250.261   25.619    271.990   36.729    229.673   35.752    44.125  3.1279  40.418  3.3321  3.707230       4.570230 
1 1 1 -12 -29 14 o 29.307  2.6953  124.041   20.465    111.155   29.570    135.888   28.353    27.659  4.1169  30.956  3.4799  -3.296965      5.390628 
1 1 1 -12 -29 15 f 16.761  2.9173  42.310    15.498    5.1803    22.955    73.415    21.010    10.915  4.5996  22.607  3.5897  -11.69165      5.834547 
1 1 1 -12 -29 16 o 54.065  2.2600  408.902   32.526    436.904   46.195    381.370   45.806    55.979  3.0929  52.150  3.2962  3.828400       4.520096 
1 1 1 -12 -29 17 o 30.576  2.6267  134.135   20.984    125.465   30.151    142.281   29.223    29.500  3.9125  31.653  3.5057  -2.152966      5.253308 
1 1 1 -12 -29 18 o 28.705  2.7713  120.735   20.240    95.951    29.053    144.108   28.214    25.484  4.4164  31.927  3.3491  -6.442833      5.542681 
1 1 1 -12 -29 19 o 30.085  2.7014  130.955   21.013    150.213   29.629    111.466   29.806    32.537  3.4525  27.633  4.1557  4.904030       5.402747 
1 1 1 -12 -29 20 o 14.100  3.3317  23.800    16.408    47.475    24.081    3.2832    22.417    17.644  4.9137  10.556  4.5008  7.087351       6.663447 
1 1 1 -12 -29 21 o 39.432  2.4763  220.940   25.764    197.785   36.162    244.811   36.717    37.205  3.6769  41.658  3.3181  -4.453175      4.952693 
1 1 1 -12 -29 22 o 48.035  2.3784  327.091   30.123    278.758   42.424    376.233   42.778    44.239  3.6118  51.832  3.0955  -7.592606      4.756780 
1 1 1 -12 -29 23 o 36.893  2.4891  194.386   24.195    211.658   34.141    176.959   34.293    38.671  3.3286  35.115  3.7018  3.556156       4.978269 
1 1 1 -12 -29 24 o 43.806  2.4293  272.837   28.222    288.424   39.748    256.991   40.077    45.165  3.3087  42.447  3.5578  2.718220       4.858584 
1 1 1 -12 -29 25 o 44.237  2.4827  280.170   28.827    326.975   40.978    234.314   40.560    48.158  3.1949  40.316  3.8010  7.842617       4.965383 
1 1 1 -12 -29 26 f 36.108  2.6086  188.008   24.707    211.904   35.267    164.977   34.623    38.537  3.4533  33.680  3.9108  4.856228       5.217254 
1 1 1 -12 -29 27 o 38.686  2.5465  215.006   26.082    217.425   37.150    212.656   36.625    38.898  3.6068  38.473  3.5958  0.4243050      5.093012 
1 1 1 -12 -29 28 o 19.670  3.3647  61.475    19.130    27.296    27.466    93.676    26.659    14.224  5.3328  25.117  4.1045  -10.89318      6.729404 
1 1 1 -12 -29 29 o 10.868  3.2735  4.9061    16.651    8.6956    25.034    1.8994    22.299    11.495  4.8215  10.241  4.4292  1.254324       6.547078 
1 1 1 -12 -29 30 o 13.197  2.9753  4.7290    16.670    58.459    24.837    -39.3197  22.488    19.279  4.8221  7.1160  3.4869  12.16287       5.950679 
1 1 1 -12 -29 31 o 19.485  3.6190  62.109    19.419    49.717    28.761    72.492    26.326    17.450  5.5052  21.519  4.6991  -4.068983      7.238027 
1 1 1 -12 -29 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -29 33 o 11.318  4.9595  3.8040    28.743    3.8040    28.743    0.0000    0.0000    11.318  4.9595  ?       ?       ?              ?        
1 1 1 -12 -29 34 o 10.111  3.1336  -0.8317   16.810    -14.3858  24.101    12.009    23.458    8.8865  4.1414  11.336  4.7039  -2.449972      6.267206 
1 1 1 -12 -28 1  o 61.140  2.2291  521.830   36.376    530.594   51.793    513.299   51.102    61.652  3.1469  60.628  3.1578  1.023903       4.458105 
1 1 1 -12 -28 2  o 21.225  2.8137  65.282    15.348    79.441    22.687    53.332    20.842    23.475  3.7331  18.974  4.2110  4.501543       5.627476 
1 1 1 -12 -28 3  o 13.388  3.1151  25.209    12.855    25.973    19.530    24.625    17.075    13.603  4.5545  13.173  4.2510  0.4303312      6.230106 
1 1 1 -12 -28 4  o 21.895  2.8987  70.982    16.255    61.130    23.833    79.551    22.226    20.243  4.5110  23.547  3.6415  -3.304470      5.797345 
1 1 1 -12 -28 5  o 48.887  2.1675  332.792   28.210    326.812   40.560    338.394   39.260    48.412  3.1450  49.363  2.9834  -0.9505234     4.334935 
1 1 1 -12 -28 6  o 12.848  3.2079  21.083    13.660    26.756    21.118    17.002    17.913    13.891  4.7356  11.806  4.3286  2.085041       6.415807 
1 1 1 -12 -28 7  o 27.885  2.5132  111.255   18.145    101.051   26.621    120.109   24.799    26.526  3.8600  29.243  3.2194  -2.716476      5.026352 
1 1 1 -12 -28 8  o 20.247  2.9803  62.070    15.685    42.017    22.796    80.098    21.615    16.779  4.8186  23.716  3.5086  -6.937178      5.960600 
1 1 1 -12 -28 9  o 23.890  2.6686  81.924    16.473    81.722    24.071    82.102    22.591    23.805  3.9112  23.975  3.6317  -0.1704807     5.337276 
1 1 1 -12 -28 10 o 20.333  3.0051  60.394    15.827    68.391    23.224    53.458    21.627    21.645  4.1570  19.022  4.3406  2.623255       6.010114 
1 1 1 -12 -28 11 o 55.124  2.1725  421.413   31.941    433.464   45.259    409.455   45.084    55.935  3.0322  54.312  3.1121  1.623554       4.345007 
1 1 1 -12 -28 12 o 16.554  3.1578  40.304    14.265    43.356    21.371    37.852    19.157    17.086  4.5776  16.023  4.3513  1.062059       6.315673 
1 1 1 -12 -28 13 o 12.990  3.1419  21.486    14.249    5.3426    21.476    34.181    19.045    10.708  4.4768  15.271  4.4097  -4.563040      6.283890 
1 1 1 -12 -28 14 o 22.755  2.9521  75.757    17.072    110.180   25.085    46.059    23.300    27.947  3.4226  17.563  4.8110  10.38438       5.904268 
1 1 1 -12 -28 15 o 11.438  3.0647  12.488    13.897    -3.3231   21.413    23.994    18.267    9.6882  4.2622  13.187  4.4049  -3.499195      6.129339 
1 1 1 -12 -28 16 o 30.962  2.4894  135.188   20.201    149.674   29.094    121.704   28.070    32.641  3.3765  29.282  3.6588  3.359137       4.978713 
1 1 1 -12 -28 17 o 37.317  2.2901  194.474   22.593    175.986   31.480    214.114   32.445    35.419  3.3583  39.215  3.1146  -3.795612      4.580271 
1 1 1 -12 -28 18 o 26.572  2.7745  101.556   19.114    99.809    27.732    103.137   26.382    26.284  4.0707  26.860  3.7709  -0.5763607     5.548935 
1 1 1 -12 -28 19 o 12.721  3.3165  19.471    14.863    23.853    22.305    15.972    19.932    13.512  4.8478  11.930  4.5273  1.581800       6.633057 
1 1 1 -12 -28 20 o 12.305  3.1123  15.781    14.773    -6.1042   22.148    33.322    19.829    9.5449  4.2592  15.066  4.5392  -5.521081      6.224564 
1 1 1 -12 -28 21 o 9.2366  2.8245  -6.1428   12.841    11.567    21.254    -16.3239  16.115    11.452  4.5789  7.0212  3.3084  4.430775       5.649035 
1 1 1 -12 -28 22 o 25.427  3.0244  94.786    19.866    95.767    28.099    93.805    28.091    25.574  4.2513  25.280  4.3027  0.2944050      6.048720 
1 1 1 -12 -28 23 o 26.742  2.9368  105.215   20.002    83.180    28.179    127.594   28.398    23.589  4.6251  29.895  3.6203  -6.305573      5.873527 
1 1 1 -12 -28 24 o 23.929  3.1097  84.947    19.195    84.939    27.319    84.954    26.977    23.913  4.4284  23.945  4.3670  -0.3277206E-01 6.219419 
1 1 1 -12 -28 25 o 21.171  3.2617  67.554    18.035    81.185    26.056    55.019    24.987    23.392  4.3177  18.950  4.8900  4.442240       6.523448 
1 1 1 -12 -28 26 o 31.383  2.6734  141.778   21.990    151.377   31.828    133.012   30.416    32.437  3.7313  30.330  3.8295  2.107521       5.346742 
1 1 1 -12 -28 27 o 28.542  2.9346  120.715   21.530    106.996   31.311    133.019   29.653    26.729  4.5356  30.356  3.7252  -3.626520      5.869280 
1 1 1 -12 -28 28 o 7.8449  2.5830  -31.2374  14.172    2.9563    21.165    -59.0340  19.082    10.200  4.3618  5.4894  2.7683  4.710971       5.166083 
1 1 1 -12 -28 29 o 16.846  3.2729  39.370    17.656    75.525    26.031    8.5692    24.027    22.315  4.5103  11.376  4.7438  10.93867       6.545757 
1 1 1 -12 -28 30 o 46.365  2.3638  305.873   29.147    316.845   41.805    295.494   40.659    47.189  3.3289  45.542  3.3568  1.646671       4.727539 
1 1 1 -12 -28 31 o 7.7807  2.6091  -24.9526  15.074    -42.0805  22.192    -10.2814  20.539    6.9265  3.4079  8.6350  3.9518  -1.708532      5.218276 
1 1 1 -12 -28 32 o 9.7796  3.0857  -4.8350   16.479    1.3127    24.014    -10.3059  22.654    10.471  4.5623  9.0878  4.1558  1.383548       6.171331 
1 1 1 -12 -28 33 f 12.469  3.4721  17.928    17.030    22.085    25.033    14.347    23.235    13.103  5.0488  11.835  4.7678  1.267886       6.944215 
1 1 1 -12 -28 34 o 13.278  5.0517  24.008    24.857    0.0000    0.0000    24.008    24.857    ?       ?       13.278  5.0517  ?              ?        
1 1 1 -12 -28 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -28 36 o 9.1024  2.9508  -13.9672  17.137    -34.4927  25.095    3.9686    23.459    7.8140  3.7965  10.391  4.5183  -2.576776      5.901615 
1 1 1 -12 -27 1  f 35.225  2.2296  173.494   20.794    182.736   29.622    164.514   29.198    36.187  3.0856  34.262  3.2194  1.925068       4.459293 
1 1 1 -12 -27 2  o 9.9445  2.7714  7.2727    11.077    15.357    16.579    0.7535    14.888    11.325  4.1625  8.5639  3.6600  2.761067       5.542754 
1 1 1 -12 -27 3  o 31.872  2.2417  141.938   18.871    145.300   27.284    138.855   26.129    32.222  3.2038  31.521  3.1364  0.7009354      4.483448 
1 1 1 -12 -27 4  o 30.766  2.2887  132.609   18.562    130.422   26.629    134.675   25.886    30.484  3.3148  31.047  3.1568  -0.5626888     4.577446 
1 1 1 -12 -27 5  o 51.376  2.1453  365.232   29.387    371.671   41.907    359.001   41.221    51.823  3.0323  50.928  3.0357  0.8955841      4.290688 
1 1 1 -12 -27 6  o 31.886  2.3338  141.914   19.621    150.753   28.446    133.891   27.100    32.850  3.2767  30.922  3.3242  1.927343       4.667640 
1 1 1 -12 -27 7  o 19.041  2.9162  55.608    14.861    28.950    21.805    78.733    20.309    14.430  4.8124  23.652  3.2953  -9.221028      5.832480 
1 1 1 -12 -27 8  o 22.937  2.7150  75.639    15.956    71.741    23.832    78.807    21.481    22.271  4.1478  23.603  3.5043  -1.331703      5.429904 
1 1 1 -12 -27 9  o 33.730  2.3239  158.436   20.725    160.596   29.625    156.366   29.004    33.952  3.2994  33.508  3.2734  0.4437714      4.647720 
1 1 1 -12 -27 10 o 19.215  2.8874  53.582    14.359    52.907    21.243    54.150    19.485    19.045  4.2699  19.385  3.8880  -0.3401852     5.774777 
1 1 1 -12 -27 11 o 23.345  2.7280  79.033    16.201    64.300    23.542    92.288    22.330    21.027  4.3243  25.663  3.3269  -4.635935      5.456006 
1 1 1 -12 -27 12 f 25.564  2.6189  94.636    16.904    73.852    24.691    112.975   23.193    22.610  4.2326  28.518  3.0855  -5.908100      5.237837 
1 1 1 -12 -27 13 o 33.359  2.3777  156.059   20.513    191.667   29.378    122.182   28.655    37.273  2.9673  29.445  3.7160  7.827139       4.755325 
1 1 1 -12 -27 14 o 33.109  2.3408  152.896   20.407    140.292   28.947    165.349   28.773    31.677  3.4684  34.540  3.1445  -2.863739      4.681654 
1 1 1 -12 -27 15 o 30.004  2.4522  126.340   19.276    117.474   27.519    134.882   27.010    28.893  3.6365  31.116  3.2907  -2.223505      4.904374 
1 1 1 -12 -27 16 o 27.163  2.6282  104.264   18.617    104.358   26.573    104.173   26.090    27.162  3.7528  27.164  3.6806  -0.2014160E-02 5.256488 
1 1 1 -12 -27 17 o 10.885  3.0532  8.5690    13.302    16.849    20.467    2.5135    17.503    12.249  4.6013  9.5211  4.0145  2.727567       6.106337 
1 1 1 -12 -27 18 o 42.207  2.2554  246.796   25.299    238.270   35.535    255.560   36.027    41.448  3.2263  42.966  3.1526  -1.518188      4.510829 
1 1 1 -12 -27 19 o 29.358  2.5435  121.545   19.486    134.597   27.755    108.858   27.364    31.011  3.3971  27.706  3.7865  3.305151       5.086998 
1 1 1 -12 -27 20 o 41.868  2.2314  243.122   24.838    242.540   34.913    243.718   35.343    41.824  3.1394  41.912  3.1718  -0.8751297E-01 4.462755 
1 1 1 -12 -27 21 o 17.898  3.3692  47.134    16.621    58.312    24.202    37.155    22.866    19.841  4.6373  15.955  4.8889  3.885321       6.738390 
1 1 1 -12 -27 22 o 34.995  2.3888  172.490   21.868    198.367   30.913    146.571   30.938    37.786  3.0812  32.204  3.6512  5.581940       4.777593 
1 1 1 -12 -27 23 o 32.021  2.5030  144.273   21.041    130.444   28.956    159.744   30.628    30.340  3.6357  33.702  3.4411  -3.362886      5.005922 
1 1 1 -12 -27 24 o 14.665  3.4079  30.640    15.530    27.259    21.940    34.035    21.985    14.056  4.8263  15.275  4.8126  -1.219175      6.815751 
1 1 1 -12 -27 25 o 37.301  2.4013  195.999   23.707    204.263   33.502    187.712   33.551    38.138  3.3125  36.464  3.4773  1.674023       4.802542 
1 1 1 -12 -27 26 o 26.220  2.8353  99.720    19.271    104.033   27.610    95.623    26.909    26.804  3.9655  25.637  4.0535  1.167309       5.670576 
1 1 1 -12 -27 27 o 21.663  3.1770  70.107    17.821    74.246    25.772    66.313    24.671    22.300  4.4705  21.027  4.5153  1.273340       6.353999 
1 1 1 -12 -27 28 o 16.679  3.5578  42.437    17.173    41.550    25.734    43.149    23.058    16.529  5.2067  16.828  4.8501  -0.2984276     7.115686 
1 1 1 -12 -27 29 o 35.100  2.5193  175.530   23.156    205.526   33.813    149.037   31.778    38.063  3.3508  32.137  3.7630  5.926075       5.038606 
1 1 1 -12 -27 30 o 47.090  2.2957  313.410   28.721    339.181   41.137    288.902   40.116    49.060  3.1471  45.120  3.3432  3.939621       4.591441 
1 1 1 -12 -27 31 o 22.026  3.2755  73.392    18.812    98.892    27.917    52.180    25.462    25.798  4.1834  18.255  5.0412  7.542740       6.550909 
1 1 1 -12 -27 32 o 28.064  2.9186  117.089   21.031    137.255   30.039    97.698    29.455    30.720  3.7269  25.408  4.4926  5.312424       5.837211 
1 1 1 -12 -27 33 o 32.482  2.6834  155.136   22.601    132.745   32.246    176.759   31.687    29.889  4.1389  35.074  3.4164  -5.184504      5.366720 
1 1 1 -12 -27 34 o 32.068  2.7663  152.228   23.059    133.130   32.618    171.306   32.601    29.809  4.2018  34.327  3.5993  -4.518187      5.532660 
1 1 1 -12 -27 35 o 13.786  3.5750  26.304    17.616    36.255    25.343    17.001    24.504    15.248  5.1878  12.325  4.9205  2.922840       7.150097 
1 1 1 -12 -27 36 o 15.477  6.9858  15.393    61.497    0.0000    0.0000    15.393    61.497    ?       ?       15.477  6.9858  ?              ?        
1 1 1 -12 -27 37 o 21.761  5.2341  79.090    30.135    79.090    30.135    0.0000    0.0000    21.761  5.2341  ?       ?       ?              ?        
1 1 1 -12 -27 38 o 11.816  3.0808  -0.3421   17.239    -45.1432  24.094    46.641    24.674    7.0620  3.4890  16.569  5.0787  -9.507086      6.161664 
1 1 1 -12 -26 1  o 22.733  2.6465  74.184    15.213    98.505    22.189    52.609    20.899    26.520  3.1876  18.947  4.2256  7.572874       5.293080 
1 1 1 -12 -26 2  o 16.527  2.8767  41.343    13.022    26.227    19.732    53.007    17.333    13.780  4.5771  19.274  3.4858  -5.493844      5.753315 
1 1 1 -12 -26 3  o 10.385  2.7912  11.161    10.821    6.2553    16.757    14.670    14.172    9.8815  4.0243  10.889  3.8687  -1.007375      5.582319 
1 1 1 -12 -26 4  o 37.241  2.1005  191.030   20.749    205.113   29.984    178.089   28.743    38.581  2.9233  35.901  3.0171  2.679409       4.200981 
1 1 1 -12 -26 5  o 43.749  2.1321  263.650   24.825    261.854   35.436    265.382   34.788    43.586  3.0547  43.912  2.9753  -0.3254280     4.264186 
1 1 1 -12 -26 6  o 48.048  3.0426  317.596   38.956    317.596   38.956    0.0000    0.0000    48.048  3.0426  ?       ?       ?              ?        
1 1 1 -12 -26 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -26 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -26 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -26 10 o 23.252  3.8677  76.638    23.242    0.0000    0.0000    76.638    23.242    ?       ?       23.252  3.8677  ?              ?        
1 1 1 -12 -26 11 o 31.472  2.3477  136.945   19.379    156.256   28.148    119.544   26.720    33.647  3.1604  29.298  3.4726  4.349222       4.695375 
1 1 1 -12 -26 12 o 71.033  2.1830  690.034   41.523    709.989   58.831    670.226   58.613    72.076  3.0474  69.991  3.1265  2.084343       4.365989 
1 1 1 -12 -26 13 o 25.308  2.6013  90.077    17.013    102.071   24.347    78.635    23.782    27.059  3.4369  23.558  3.9057  3.501072       5.202583 
1 1 1 -12 -26 14 o 54.961  2.1179  413.884   31.042    426.882   43.726    400.678   44.075    55.859  2.9328  54.064  3.0562  1.795288       4.235769 
1 1 1 -12 -26 15 o 36.265  2.2323  181.357   21.444    172.232   30.274    190.546   30.380    35.316  3.2364  37.213  3.0755  -1.896591      4.464603 
1 1 1 -12 -26 16 o 53.050  2.1538  387.517   30.330    419.334   42.293    353.828   43.520    55.381  2.8609  50.719  3.2202  4.661644       4.307506 
1 1 1 -12 -26 17 o 25.664  2.7306  92.743    18.162    99.245    26.481    86.967    24.957    26.535  3.8373  24.793  3.8858  1.742008       5.461170 
1 1 1 -12 -26 18 o 33.683  3.3055  157.179   29.437    0.0000    0.0000    157.179   29.437    ?       ?       33.683  3.3055  ?              ?        
1 1 1 -12 -26 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -26 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -26 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -26 22 o 44.591  3.1352  274.569   37.208    274.569   37.208    0.0000    0.0000    44.591  3.1352  ?       ?       ?              ?        
1 1 1 -12 -26 23 o 33.263  2.4051  154.471   21.118    158.211   29.828    150.711   29.904    33.690  3.3499  32.835  3.4518  0.8547668      4.810112 
1 1 1 -12 -26 24 o 17.144  3.2804  43.452    16.067    27.588    23.107    58.300    22.355    14.313  4.9508  19.976  4.3050  -5.663396      6.560791 
1 1 1 -12 -26 25 o 21.106  3.0786  65.612    16.898    86.656    24.308    45.932    23.507    24.631  3.8074  17.582  4.8390  7.048292       6.157248 
1 1 1 -12 -26 26 o 9.9593  2.9282  2.4972    13.504    -9.3333   19.708    12.967    18.540    8.6688  3.9299  11.250  4.3420  -2.580833      5.856410 
1 1 1 -12 -26 27 o 52.065  2.2173  377.277   30.738    399.958   43.629    354.923   43.313    53.678  3.0471  50.451  3.2221  3.226398       4.434695 
1 1 1 -12 -26 28 f 33.429  2.4854  159.314   21.683    137.977   30.978    179.809   30.361    31.046  3.8048  35.812  3.1988  -4.766130      4.970792 
1 1 1 -12 -26 29 o 43.245  2.2411  261.908   25.721    284.897   36.920    240.229   35.853    45.154  3.0709  41.335  3.2649  3.818508       4.482171 
1 1 1 -12 -26 30 o 38.179  2.3583  206.463   23.824    198.922   34.318    213.478   33.099    37.423  3.4630  38.935  3.2022  -1.512600      4.716599 
1 1 1 -12 -26 31 o 44.022  2.2853  272.991   26.719    293.711   38.691    254.103   36.942    45.655  3.1839  42.388  3.2793  3.267265       4.570639 
1 1 1 -12 -26 32 o 13.152  3.4542  22.491    16.220    21.787    22.747    23.219    23.133    13.022  4.8588  13.283  4.9109  -0.2606630     6.908350 
1 1 1 -12 -26 33 o 34.759  2.5433  175.193   23.057    149.536   32.728    200.477   32.489    31.982  3.9013  37.536  3.2639  -5.553600      5.086617 
1 1 1 -12 -26 34 f 17.158  3.5472  46.295    17.346    44.339    24.874    48.147    24.201    16.804  5.0886  17.512  4.9434  -0.7075367     7.094425 
1 1 1 -12 -26 35 o 24.309  3.2882  92.483    20.460    74.820    29.852    108.131   28.097    21.637  5.2126  26.982  4.0098  -5.344227      6.576431 
1 1 1 -12 -26 36 o 17.014  3.6912  46.568    18.445    44.435    26.237    48.652    25.937    16.648  5.2587  17.380  5.1813  -0.7326717     7.382380 
1 1 1 -12 -26 37 o 13.653  3.6114  26.382    17.823    29.037    25.261    23.749    25.151    14.044  5.1416  13.262  5.0728  0.7816381      7.222853 
1 1 1 -12 -26 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -26 39 o 21.058  3.5817  74.804    20.119    86.516    28.198    62.659    28.715    23.089  4.7189  19.027  5.3894  4.061897       7.163381 
1 1 1 -12 -25 1  o 20.887  3.6540  49.253    17.583    36.207    19.664    101.299   39.275    15.809  4.4536  25.965  5.7943  -10.15616      7.308082 
1 1 1 -12 -25 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -25 3  o 55.756  3.8089  431.999   56.543    0.0000    0.0000    431.999   56.543    ?       ?       55.756  3.8089  ?              ?        
1 1 1 -12 -25 4  o 38.043  2.0567  198.444   20.795    200.850   29.747    196.144   29.082    38.265  2.9245  37.821  2.8927  0.4436913      4.113435 
1 1 1 -12 -25 5  o 22.554  2.5675  71.131    14.905    82.906    21.984    61.115    20.276    24.352  3.4685  20.756  3.7866  3.595558       5.135063 
1 1 1 -12 -25 6  o 61.558  2.0871  516.166   34.399    537.058   49.134    496.082   48.176    62.790  2.9215  60.326  2.9815  2.463993       4.174261 
1 1 1 -12 -25 7  o 50.657  2.0556  350.233   27.766    361.688   39.703    339.268   38.844    51.475  2.8913  49.839  2.9226  1.636024       4.111116 
1 1 1 -12 -25 8  o 40.772  2.1193  228.152   22.907    210.937   32.685    244.770   32.114    39.207  3.1388  42.338  2.8485  -3.131535      4.238590 
1 1 1 -12 -25 9  o 36.860  2.1309  186.308   20.765    207.306   29.661    166.126   29.079    38.951  2.8631  34.768  3.1570  4.183136       4.261873 
1 1 1 -12 -25 10 o 48.705  2.1027  325.300   27.062    374.536   38.424    276.838   38.120    52.460  2.7441  44.950  3.1869  7.510098       4.205487 
1 1 1 -12 -25 11 o 53.529  2.0596  390.677   29.386    421.905   41.600    359.574   41.516    55.745  2.7861  51.313  3.0341  4.432022       4.119271 
1 1 1 -12 -25 12 o 30.364  2.2131  126.874   17.736    125.897   25.306    127.816   24.864    30.237  3.1718  30.490  3.0871  -0.2533474     4.426181 
1 1 1 -12 -25 13 o 11.685  3.0361  15.315    12.455    16.963    18.256    13.880    17.036    12.062  4.3779  11.308  4.2077  0.7536764      6.072112 
1 1 1 -12 -25 14 o 47.559  2.0508  308.710   25.980    317.518   36.430    299.595   37.060    48.272  2.8299  46.845  2.9690  1.427517       4.101648 
1 1 1 -12 -25 15 o 63.735  2.0904  553.061   35.645    570.667   49.802    534.568   51.041    64.804  2.8691  62.665  3.0409  2.138893       4.180800 
1 1 1 -12 -25 16 f 45.921  2.0994  287.959   25.680    283.552   35.947    292.552   36.700    45.563  2.9616  46.279  2.9765  -0.7158165     4.198885 
1 1 1 -12 -25 17 o 46.046  2.1223  292.328   25.776    326.369   35.728    255.376   37.224    48.956  2.7356  43.137  3.2455  5.819645       4.244566 
1 1 1 -12 -25 18 o 45.580  2.1014  284.204   25.494    291.556   35.683    276.539   36.435    46.207  2.8978  44.952  3.0440  1.255337       4.202790 
1 1 1 -12 -25 19 o 45.913  2.1247  288.132   25.921    262.176   36.045    315.930   37.303    43.735  3.0970  48.091  2.9097  -4.356003      4.249421 
1 1 1 -12 -25 20 o 32.817  2.3200  148.861   20.065    137.017   28.255    160.912   28.500    31.448  3.4090  34.187  3.1478  -2.738747      4.640028 
1 1 1 -12 -25 21 o 23.046  2.7728  75.505    16.456    69.341    23.545    81.391    23.008    22.034  4.1415  24.057  3.6882  -2.023031      5.545693 
1 1 1 -12 -25 22 o 51.044  2.1169  357.300   28.752    329.878   40.511    385.135   40.815    49.021  3.1013  53.068  2.8822  -4.046883      4.233829 
1 1 1 -12 -25 23 o 28.711  2.4984  115.237   18.787    111.759   26.855    118.570   26.291    28.247  3.6337  29.175  3.4298  -0.9278011     4.996766 
1 1 1 -12 -25 24 o 46.422  3.7678  300.440   46.445    0.0000    0.0000    300.440   46.445    ?       ?       46.422  3.7678  ?              ?        
1 1 1 -12 -25 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -25 26 o 22.707  4.2870  74.646    25.118    74.646    25.118    0.0000    0.0000    22.707  4.2870  ?       ?       ?              ?        
1 1 1 -12 -25 27 o 52.963  2.1521  388.012   30.329    361.680   43.123    413.787   42.665    51.112  3.1655  54.815  2.9164  -3.703083      4.304181 
1 1 1 -12 -25 28 o 50.272  2.1495  349.609   28.745    380.297   41.211    320.532   40.116    52.477  2.9438  48.068  3.1330  4.409630       4.299001 
1 1 1 -12 -25 29 o 40.695  2.2294  230.460   24.087    244.594   34.737    217.370   33.429    41.919  3.1160  39.470  3.1893  2.449425       4.458845 
1 1 1 -12 -25 30 o 37.475  2.3928  198.585   23.625    182.340   34.065    213.638   32.792    35.866  3.5944  39.084  3.1594  -3.218002      4.785548 
1 1 1 -12 -25 31 o 26.665  2.7513  102.815   19.048    109.590   27.370    96.452    26.527    27.571  3.8079  25.760  3.9723  1.811075       5.502683 
1 1 1 -12 -25 32 o 10.466  2.7460  -4.2795   13.574    31.523    19.444    -38.3135  18.958    14.587  4.5147  6.3450  3.1272  8.241747       5.491992 
1 1 1 -12 -25 33 o 31.735  2.5469  144.786   21.262    148.264   30.276    141.402   29.867    32.128  3.5790  31.342  3.6246  0.7862816      5.093824 
1 1 1 -12 -25 34 f 22.511  3.2996  77.533    19.243    81.921    27.354    73.233    27.077    23.217  4.5615  21.804  4.7690  1.412176       6.599239 
1 1 1 -12 -25 35 o 14.999  3.5149  32.971    17.110    20.028    24.048    46.240    24.350    12.830  4.9471  17.169  4.9945  -4.338739      7.029830 
1 1 1 -12 -25 36 o 30.390  3.0230  141.306   22.879    100.754   32.682    180.281   32.040    25.388  4.9839  35.391  3.4227  -10.00264      6.046021 
1 1 1 -12 -25 37 o 29.321  2.9657  130.444   22.081    102.592   31.358    157.836   31.098    25.723  4.7254  32.919  3.5848  -7.196510      5.931342 
1 1 1 -12 -25 38 o 13.386  3.4278  21.709    17.828    43.371    24.518    -2.5949   25.971    16.417  5.0677  10.355  4.6171  6.062286       6.855594 
1 1 1 -12 -25 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -25 40 o 21.353  3.8181  78.218    21.847    77.799    31.191    78.621    30.610    21.245  5.4536  21.461  5.3452  -0.2165565     7.636293 
1 1 1 -12 -25 41 o 14.447  3.4858  29.816    19.337    60.767    26.856    -3.5014   27.864    18.644  5.1880  10.251  4.6570  8.393402       6.971572 
1 1 1 -12 -24 1  o 40.250  2.0158  221.938   21.546    236.460   30.372    207.227   30.570    41.615  2.7401  38.884  2.9573  2.731308       4.031621 
1 1 1 -12 -24 2  o 13.034  2.8412  23.665    11.037    18.433    16.655    27.762    14.738    12.091  4.2020  13.976  3.8255  -1.884953      5.682476 
1 1 1 -12 -24 3  o 16.800  2.7225  40.395    11.973    38.660    17.553    41.905    16.372    16.432  4.0210  17.168  3.6716  -0.7359982     5.445043 
1 1 1 -12 -24 4  o 49.582  1.9986  335.088   26.406    320.654   37.494    349.293   37.195    48.497  2.8998  50.667  2.7511  -2.170383      3.997130 
1 1 1 -12 -24 5  o 20.653  2.5327  59.327    13.444    68.700    20.071    51.700    18.105    22.173  3.4952  19.134  3.6663  3.039333       5.065387 
1 1 1 -12 -24 6  o 32.920  2.1454  149.615   18.503    128.676   26.471    169.621   25.875    30.568  3.2845  35.271  2.7609  -4.702332      4.290772 
1 1 1 -12 -24 7  o 27.541  2.2713  104.807   16.377    100.159   23.797    108.989   22.573    26.912  3.3756  28.170  3.0398  -1.258020      4.542557 
1 1 1 -12 -24 8  o 26.658  2.2760  97.760    15.899    104.476   23.089    91.703    21.925    27.545  3.1885  25.770  3.2486  1.775152       4.551912 
1 1 1 -12 -24 9  o 21.671  2.6384  68.049    14.396    50.289    21.216    83.201    19.597    18.763  4.3120  24.579  3.0417  -5.815334      5.276868 
1 1 1 -12 -24 10 o 38.848  2.0418  205.608   21.091    209.891   30.053    201.451   29.608    39.251  2.8786  38.446  2.8965  0.8056068      4.083637 
1 1 1 -12 -24 11 o 37.229  2.0527  189.239   20.265    201.590   28.573    176.740   28.745    38.485  2.7909  35.973  3.0110  2.512032       4.105480 
1 1 1 -12 -24 12 o 23.082  2.4892  74.221    14.890    73.004    21.389    75.365    20.740    22.872  3.6112  23.292  3.4270  -0.4191971     4.978486 
1 1 1 -12 -24 13 o 62.839  2.0557  535.161   34.595    522.788   48.637    547.831   49.219    62.100  2.9241  63.578  2.8902  -1.478840      4.111404 
1 1 1 -12 -24 14 o 21.015  2.6723  62.095    14.489    62.298    20.425    61.890    20.557    21.056  3.7596  20.975  3.7988  0.8056831E-01  5.344687 
1 1 1 -12 -24 15 o 46.125  2.0153  289.506   24.696    261.121   34.587    319.032   35.275    43.780  2.9670  48.471  2.7281  -4.691582      4.030615 
1 1 1 -12 -24 16 o 22.868  2.6235  74.005    15.302    59.223    21.761    88.463    21.521    20.429  4.1191  25.307  3.2501  -4.877752      5.246952 
1 1 1 -12 -24 17 o 26.064  2.4287  94.310    16.407    81.316    22.982    107.816   23.430    24.140  3.6700  27.988  3.1820  -3.848518      4.857326 
1 1 1 -12 -24 18 o 80.904  2.2385  889.862   48.485    852.848   67.902    928.367   69.255    79.174  3.2019  82.634  3.1290  -3.460144      4.476910 
1 1 1 -12 -24 19 o 56.345  2.0579  433.893   30.785    480.434   43.072    385.289   44.017    59.548  2.7005  53.142  3.1059  6.406464       4.115712 
1 1 1 -12 -24 20 o 60.413  2.0602  495.339   33.321    473.827   46.516    518.011   47.754    59.059  2.9405  61.767  2.8864  -2.708195      4.120459 
1 1 1 -12 -24 21 o 31.605  2.2585  137.418   18.851    133.056   26.485    141.896   26.835    31.083  3.2283  32.127  3.1593  -1.044411      4.517036 
1 1 1 -12 -24 22 o 42.413  2.1004  246.179   23.665    262.918   33.479    229.464   33.455    43.893  2.8633  40.934  3.0738  2.959072       4.200819 
1 1 1 -12 -24 23 o 14.082  3.1951  26.788    13.714    32.145    20.077    22.102    18.778    15.106  4.5712  13.059  4.4655  2.046446       6.390298 
1 1 1 -12 -24 24 o 41.393  2.0970  234.947   23.025    256.637   32.741    213.725   32.386    43.333  2.8365  39.452  3.0894  3.880768       4.194078 
1 1 1 -12 -24 25 o 38.715  2.1943  206.079   22.443    233.634   32.306    180.380   31.200    41.282  2.9409  36.148  3.2574  5.133755       4.388619 
1 1 1 -12 -24 26 o 21.985  2.8563  68.975    16.179    76.563    23.326    61.941    22.459    23.222  3.8876  20.747  4.1859  2.474209       5.712687 
1 1 1 -12 -24 27 o 45.635  2.9746  286.259   36.161    0.0000    0.0000    286.259   36.161    ?       ?       45.635  2.9746  ?              ?        
1 1 1 -12 -24 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -24 29 o 36.352  2.3308  183.642   22.383    202.566   32.409    166.384   30.950    38.192  3.1976  34.511  3.3920  3.680470       4.661617 
1 1 1 -12 -24 30 o 60.584  2.1554  506.972   34.905    523.733   49.701    490.659   49.032    61.630  3.0108  59.538  3.0852  2.092007       4.310822 
1 1 1 -12 -24 31 o 46.320  2.1817  298.225   26.848    325.128   38.438    272.596   37.516    48.425  2.9779  44.215  3.1892  4.210396       4.363341 
1 1 1 -12 -24 32 o 11.738  3.2206  12.736    15.042    23.296    21.147    1.9209    21.401    13.254  4.7240  10.221  4.3788  3.033321       6.441242 
1 1 1 -12 -24 33 o 43.447  2.3308  266.502   26.803    293.783   38.010    239.521   37.800    45.787  3.1179  41.108  3.4653  4.678181       4.661509 
1 1 1 -12 -24 34 o 44.520  2.2709  279.768   26.848    260.988   37.843    298.802   38.097    42.934  3.3165  46.106  3.1030  -3.172485      4.541735 
1 1 1 -12 -24 35 o 52.258  2.2564  385.866   31.431    381.665   44.346    390.106   44.556    51.963  3.2018  52.554  3.1802  -0.5916977     4.512808 
1 1 1 -12 -24 36 f 14.505  3.5480  30.713    17.174    38.885    23.517    21.377    25.138    15.865  4.9741  13.145  5.0608  2.720583       7.096039 
1 1 1 -12 -24 37 o 13.185  3.4740  20.779    17.177    7.1269    23.713    35.851    24.916    11.070  4.6704  15.300  5.1442  -4.230343      6.948049 
1 1 1 -12 -24 38 o 30.790  2.8539  141.275   22.871    153.310   32.316    129.198   32.373    32.282  3.8109  29.297  4.2494  2.984375       5.707897 
1 1 1 -12 -24 39 o 27.122  3.1982  113.806   22.317    126.296   31.567    101.326   31.554    28.876  4.2049  25.368  4.8201  3.508484       6.396415 
1 1 1 -12 -24 40 o 35.799  4.0152  193.350   37.837    0.0000    0.0000    193.350   37.837    ?       ?       35.799  4.0152  ?              ?        
1 1 1 -12 -24 41 o 13.893  3.8061  27.328    20.560    16.272    28.288    39.708    29.935    12.368  5.1515  15.418  5.6044  -3.049788      7.612251 
1 1 1 -12 -24 42 o 19.493  3.8573  68.007    21.620    49.219    30.072    88.107    31.104    16.462  5.6505  22.524  5.2522  -6.062431      7.714521 
1 1 1 -12 -23 1  o 73.618  2.1267  736.513   41.932    732.536   59.601    740.411   59.006    73.413  3.0310  73.824  2.9841  -0.4102173     4.253464 
1 1 1 -12 -23 2  o 25.159  2.2392  87.375    14.692    96.904    21.044    78.313    20.522    26.552  3.0122  23.766  3.3141  2.786646       4.478441 
1 1 1 -12 -23 3  o 57.429  2.0188  447.683   30.953    476.499   43.983    419.411   43.567    59.319  2.7683  55.539  2.9391  3.780125       4.037557 
1 1 1 -12 -23 4  o 44.085  1.9642  264.072   23.074    266.982   32.782    261.215   32.483    44.328  2.7751  43.843  2.7805  0.4844246      3.928368 
1 1 1 -12 -23 5  o 18.338  2.5506  47.165    12.204    76.676    18.182    22.967    16.464    23.616  2.9380  13.060  4.1701  10.55628       5.101141 
1 1 1 -12 -23 6  o 14.454  2.8002  29.097    10.999    31.478    17.385    27.508    14.203    14.945  4.1796  13.964  3.7277  0.9819736      5.600388 
1 1 1 -12 -23 7  o 16.184  2.6493  37.287    11.219    34.936    16.829    39.167    15.050    15.695  3.9935  16.673  3.4825  -0.9773540     5.298615 
1 1 1 -12 -23 8  o 46.407  1.9943  292.870   24.617    273.854   35.053    311.375   34.578    44.888  2.9316  47.927  2.7047  -3.038486      3.988662 
1 1 1 -12 -23 9  o 26.001  2.3023  92.978    15.541    108.601   22.518    78.769    21.475    28.161  3.0331  23.840  3.4645  4.320704       4.604621 
1 1 1 -12 -23 10 o 25.525  2.2897  89.831    15.228    99.638    21.702    80.320    21.373    26.956  3.0600  24.093  3.4069  2.863419       4.579369 
1 1 1 -12 -23 11 o 46.214  1.9789  289.740   24.378    289.068   34.232    290.430   34.723    46.163  2.7815  46.265  2.8155  -0.1018791     3.957758 
1 1 1 -12 -23 12 o 44.691  1.9740  271.209   23.493    278.432   32.908    263.701   33.550    45.315  2.7239  44.068  2.8578  1.246983       3.947980 
1 1 1 -12 -23 13 o 50.754  1.9638  349.238   26.587    350.447   37.175    347.972   38.039    50.853  2.7394  50.655  2.8147  0.1970253      3.927687 
1 1 1 -12 -23 14 o 53.676  1.9988  390.756   28.623    394.821   40.024    386.501   40.948    53.974  2.7780  53.378  2.8746  0.5957222      3.997576 
1 1 1 -12 -23 15 o 52.260  1.9935  370.509   27.788    375.424   38.868    365.371   39.743    52.627  2.7670  51.893  2.8705  0.7349129      3.987026 
1 1 1 -12 -23 16 o 9.9330  2.7130  6.1424    11.088    -6.1971   16.150    17.143    15.249    8.1652  3.6408  11.701  4.0233  -3.535592      5.426045 
1 1 1 -12 -23 17 o 29.224  2.1594  116.907   16.637    110.615   23.288    123.465   23.776    28.401  3.1124  30.047  2.9941  -1.646811      4.318729 
1 1 1 -12 -23 18 o 18.826  2.7571  50.116    13.445    48.802    18.921    51.457    19.110    18.566  3.9274  19.086  3.8706  -0.5196724     5.514158 
1 1 1 -12 -23 19 o 41.410  1.9941  233.395   21.962    241.374   30.751    225.089   31.375    42.154  2.7384  40.667  2.8994  1.487846       3.988134 
1 1 1 -12 -23 20 o 49.545  2.0010  334.379   26.328    368.987   37.227    299.748   37.239    52.163  2.6734  46.928  2.9780  5.235046       4.001980 
1 1 1 -12 -23 21 o 46.392  2.0120  293.623   24.758    325.247   34.968    261.834   35.058    48.955  2.6769  43.830  3.0044  5.124863       4.023995 
1 1 1 -12 -23 22 o 37.190  2.0583  188.747   20.325    197.525   28.878    180.129   28.612    38.065  2.8531  36.315  2.9675  1.750820       4.116539 
1 1 1 -12 -23 23 o 8.2762  2.6040  -5.7673   11.618    -6.4882   16.772    -5.1024   16.109    8.2912  3.7026  8.2613  3.6625  0.2994919E-01  5.207997 
1 1 1 -12 -23 24 o 10.557  2.8033  3.1218    12.354    25.557    18.532    -14.8260  16.575    13.731  4.4284  7.3824  3.4385  6.348250       5.606557 
1 1 1 -12 -23 25 o 21.970  2.7395  68.212    15.532    67.791    21.988    68.631    21.943    21.896  3.8916  22.044  3.8568  -0.1473827     5.478982 
1 1 1 -12 -23 26 o 27.685  2.4881  107.478   17.857    97.694    26.130    116.051   24.459    26.389  3.8069  28.981  3.2045  -2.591928      4.976126 
1 1 1 -12 -23 27 o 49.648  2.0768  336.854   27.472    355.947   39.566    319.081   38.174    51.020  2.9073  48.276  2.9666  2.743359       4.153692 
1 1 1 -12 -23 28 o 35.282  2.2168  171.391   20.666    189.949   29.912    154.445   28.584    37.152  3.0324  33.413  3.2344  3.739365       4.433605 
1 1 1 -12 -23 29 o 36.508  2.2803  183.540   21.959    209.613   32.236    160.968   29.994    38.972  3.1142  34.045  3.3319  4.926285       4.560673 
1 1 1 -12 -23 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -23 31 o 17.811  2.7793  42.195    16.624    -8.7692   23.243    95.566    23.785    9.5994  4.3173  26.022  3.5014  -16.42275      5.558667 
1 1 1 -12 -23 32 o 11.799  3.1862  13.028    14.712    24.654    20.631    1.0005    20.985    13.521  4.6780  10.078  4.3272  3.442594       6.372489 
1 1 1 -12 -23 33 o 20.385  3.3459  62.384    17.934    67.497    25.635    57.484    25.098    21.253  4.6338  19.517  4.8279  1.736506       6.691833 
1 1 1 -12 -23 34 o 19.929  3.3669  60.361    17.736    63.142    24.740    57.421    25.440    20.464  4.6226  19.394  4.8966  1.070576       6.733872 
1 1 1 -12 -23 35 o 26.260  2.9409  101.609   19.968    95.277    28.150    108.021   28.329    25.342  4.3010  27.178  4.0122  -1.836376      5.881865 
1 1 1 -12 -23 36 o 55.410  2.3174  434.923   34.173    467.097   48.605    403.474   48.056    57.543  3.1658  53.277  3.3851  4.265968       4.634783 
1 1 1 -12 -23 37 o 27.721  2.9966  115.097   21.334    132.641   30.287    97.818    30.057    30.103  3.8440  25.338  4.5981  4.765596       5.993217 
1 1 1 -12 -23 38 o 19.585  3.5839  61.353    19.235    73.764    26.996    48.555    27.413    21.763  4.7634  17.407  5.3561  4.355242       7.167859 
1 1 1 -12 -23 39 o 32.512  2.9776  159.721   24.790    129.607   35.168    189.463   34.950    29.004  4.6868  36.020  3.6740  -7.016272      5.955240 
1 1 1 -12 -23 40 o 22.952  3.4981  86.144    21.481    122.954   30.539    50.099    30.220    28.545  4.1131  17.360  5.6595  11.18520       6.996239 
1 1 1 -12 -23 41 o 28.062  4.7578  124.849   34.484    0.0000    0.0000    124.849   34.484    ?       ?       28.062  4.7578  ?              ?        
1 1 1 -12 -23 42 o 17.871  4.0157  55.562    21.848    43.289    29.536    70.389    32.465    15.894  5.5916  19.848  5.7650  -3.954091      8.031315 
1 1 1 -12 -23 43 o 22.656  3.9199  92.252    24.176    67.178    33.315    120.143   35.137    18.808  5.9241  26.504  5.1349  -7.696001      7.839779 
1 1 1 -12 -22 1  o 40.362  1.9477  221.572   20.896    235.167   29.531    207.941   29.571    41.628  2.6625  39.096  2.8433  2.531452       3.895322 
1 1 1 -12 -22 2  o 54.457  1.9895  402.181   28.916    394.910   40.922    409.432   40.865    53.957  2.8415  54.956  2.7853  -0.9992981     3.978930 
1 1 1 -12 -22 3  o 70.499  2.0897  672.514   39.453    690.585   56.134    654.872   55.462    71.440  2.9336  69.557  2.9769  1.882370       4.179448 
1 1 1 -12 -22 4  o 52.737  1.9765  377.044   27.806    369.966   39.700    383.860   38.957    52.238  2.8481  53.237  2.7413  -0.9982605     3.953026 
1 1 1 -12 -22 5  o 43.070  1.9605  251.585   22.496    254.689   31.919    248.522   31.711    43.337  2.7642  42.804  2.7810  0.5333290      3.921057 
1 1 1 -12 -22 6  o 6.9924  2.2131  -4.6746   8.1871    -5.5417   13.740    -4.1973   10.194    7.5142  3.3538  6.4707  2.8884  1.043457       4.426103 
1 1 1 -12 -22 7  o 36.073  1.9910  176.801   19.082    176.832   27.199    176.772   26.777    36.072  2.8381  36.074  2.7931  -0.2071381E-02 3.981939 
1 1 1 -12 -22 8  o 84.787  2.2510  973.013   51.115    993.563   72.654    952.873   71.926    85.679  3.1659  83.896  3.2008  1.782570       4.501992 
1 1 1 -12 -22 9  o 33.738  2.0459  154.947   18.296    161.181   25.855    148.694   25.894    34.435  2.8281  33.042  2.9570  1.393139       4.091756 
1 1 1 -12 -22 10 o 66.991  2.0554  607.240   36.798    652.424   51.972    561.817   52.109    69.517  2.7912  64.466  3.0179  5.051094       4.110756 
1 1 1 -12 -22 11 o 32.715  2.0789  145.753   18.013    140.299   25.380    151.290   25.571    32.084  2.9876  33.345  2.8916  -1.260628      4.157803 
1 1 1 -12 -22 12 o 25.864  2.2050  91.896    14.877    81.050    20.860    103.123   21.223    24.251  3.2969  27.476  2.9288  -3.225927      4.409967 
1 1 1 -12 -22 13 o 78.706  2.1603  837.691   45.536    842.214   63.962    833.042   64.842    78.929  3.0255  78.483  3.0846  0.4454575      4.320679 
1 1 1 -12 -22 14 o 27.635  2.1946  104.598   15.920    95.873    22.315    113.640   22.718    26.424  3.2195  28.846  2.9834  -2.421894      4.389271 
1 1 1 -12 -22 15 o 66.775  2.0239  602.165   36.192    586.731   50.741    618.147   51.636    65.902  2.8746  67.648  2.8498  -1.746368      4.047775 
1 1 1 -12 -22 16 o 94.064  2.3379  1198.73   58.897    1181.37   82.581    1216.69   84.025    93.373  3.3020  94.755  3.3107  -1.382523      4.675827 
1 1 1 -12 -22 17 o 22.148  2.4132  68.019    13.855    67.336    19.436    68.724    19.755    22.035  3.4027  22.261  3.4227  -0.2262192     4.826326 
1 1 1 -12 -22 18 o 29.220  2.1159  116.676   16.289    107.456   22.799    126.287   23.279    28.010  3.0904  30.430  2.8908  -2.420650      4.231716 
1 1 1 -12 -22 19 o 38.806  1.9812  204.811   20.427    214.145   28.681    195.203   29.099    39.726  2.7116  37.886  2.8893  1.840549       3.962484 
1 1 1 -12 -22 20 o 62.941  2.0063  535.761   33.821    538.052   47.636    533.432   48.026    63.080  2.8194  62.801  2.8551  0.2790375      4.012537 
1 1 1 -12 -22 21 f 16.980  2.5904  39.710    12.845    75.798    18.807    8.1557    17.586    23.460  3.0664  10.500  4.1758  12.96004       5.180734 
1 1 1 -12 -22 22 o 76.931  2.1574  802.366   44.455    797.552   62.871    807.180   62.867    76.697  3.0604  77.165  3.0417  -0.4673309     4.314865 
1 1 1 -12 -22 23 o 33.979  2.0816  157.846   18.705    170.735   26.482    145.015   26.423    35.403  2.8160  32.556  3.0663  2.846821       4.163190 
1 1 1 -12 -22 24 o 45.359  1.9823  279.727   23.954    291.287   34.068    268.424   33.688    46.299  2.7597  44.418  2.8466  1.881317       3.964698 
1 1 1 -12 -22 25 o 58.009  2.0216  456.346   31.408    461.436   44.801    451.428   44.043    58.325  2.8677  57.694  2.8501  0.6315155      4.043155 
1 1 1 -12 -22 26 o 12.809  3.0246  18.578    13.144    34.507    19.261    4.6937    17.982    15.585  4.4137  10.033  4.1368  5.552656       6.049297 
1 1 1 -12 -22 27 o 34.176  2.2269  160.563   20.132    158.926   29.070    162.072   27.909    33.984  3.2325  34.368  3.0639  -0.3838234     4.453835 
1 1 1 -12 -22 28 o 66.829  2.1237  608.517   37.971    648.712   54.274    569.983   53.141    69.016  2.9360  64.642  3.0692  4.373322       4.247359 
1 1 1 -12 -22 29 o 59.869  2.0962  489.715   33.517    518.897   47.742    461.355   47.065    61.693  2.8892  58.044  3.0378  3.649395       4.192342 
1 1 1 -12 -22 30 o 27.858  2.5249  109.031   18.268    95.729    25.826    122.351   25.844    26.043  3.8155  29.673  3.3080  -3.629982      5.049829 
1 1 1 -12 -22 31 o 26.074  4.7302  98.872    31.819    0.0000    0.0000    98.872    31.819    ?       ?       26.074  4.7302  ?              ?        
1 1 1 -12 -22 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -22 33 o 31.646  2.4849  140.962   20.588    159.025   29.605    124.048   28.649    33.710  3.3221  29.582  3.6964  4.127779       4.969846 
1 1 1 -12 -22 34 o 17.191  3.4025  43.868    17.356    23.726    24.744    63.372    24.350    13.740  5.0793  20.642  4.5287  -6.901010      6.804991 
1 1 1 -12 -22 35 o 16.220  3.4749  38.906    17.047    24.995    24.112    52.808    24.105    13.793  5.0274  18.646  4.7984  -4.853051      6.949807 
1 1 1 -12 -22 36 o 17.000  3.5675  44.284    17.435    40.802    24.227    48.024    25.111    16.362  5.0354  17.638  5.0550  -1.275541      7.134988 
1 1 1 -12 -22 37 o 26.959  3.0100  108.377   20.861    123.474   29.627    93.532    29.379    29.065  3.9044  24.854  4.5821  4.210825       6.019922 
1 1 1 -12 -22 38 o 12.202  3.3087  13.455    16.707    32.189    23.108    -7.0653   24.184    14.675  4.9539  9.7299  4.3873  4.944864       6.617364 
1 1 1 -12 -22 39 o 31.067  2.9871  145.738   23.726    171.226   33.245    119.281   33.870    34.280  3.6783  27.854  4.7076  6.425606       5.974226 
1 1 1 -12 -22 40 o 14.180  3.6796  26.089    18.982    11.553    25.579    43.905    28.318    11.820  4.9089  16.540  5.4827  -4.719800      7.359149 
1 1 1 -12 -22 41 o 11.646  3.4268  8.5974    18.685    23.311    25.118    -9.6330   27.959    13.191  5.0638  10.101  4.6183  3.089999       6.853584 
1 1 1 -12 -22 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -22 43 o 11.801  3.5270  9.1035    19.661    -5.4663   26.420    27.188    29.434    9.9471  4.5251  13.655  5.4113  -3.708226      7.053989 
1 1 1 -12 -21 1  o 18.089  2.4186  45.996    11.263    52.217    15.899    39.728    15.959    19.395  3.1701  16.783  3.6537  2.611319       4.837199 
1 1 1 -12 -21 2  o 38.803  1.9352  204.450   19.949    191.333   28.215    217.562   28.210    37.534  2.8272  40.071  2.6432  -2.536674      3.870359 
1 1 1 -12 -21 3  o 55.263  1.9747  412.706   29.167    427.597   41.582    398.283   40.924    56.286  2.7581  54.240  2.8267  2.045856       3.949348 
1 1 1 -12 -21 4  o 82.734  2.2125  925.352   49.022    947.141   69.860    904.214   68.807    83.696  3.1162  81.771  3.1415  1.924950       4.424943 
1 1 1 -12 -21 5  o 41.673  1.9410  235.583   21.384    272.180   30.676    200.989   29.824    44.870  2.5631  38.477  2.9156  6.392891       3.881983 
1 1 1 -12 -21 6  o 99.714  2.4299  1345.82   64.884    1385.79   92.371    1306.90   91.161    101.184 3.4083  98.244  3.4643  2.939445       4.859790 
1 1 1 -12 -21 7  o 80.420  2.1940  873.512   47.258    883.065   67.162    864.144   66.507    80.856  3.1012  79.984  3.1044  0.8716431      4.387987 
1 1 1 -12 -21 8  o 86.315  2.2465  1006.53   51.936    1016.27   73.601    996.869   73.296    86.733  3.1682  85.897  3.1858  0.8358459      4.492929 
1 1 1 -12 -21 9  o 62.049  1.9938  519.805   33.079    552.944   46.660    486.325   46.901    64.054  2.7197  60.043  2.9163  4.010571       3.987619 
1 1 1 -12 -21 10 o 77.123  2.1269  802.577   43.927    779.398   61.803    826.241   62.445    75.993  3.0363  78.254  2.9792  -2.261581      4.253818 
1 1 1 -12 -21 11 o 19.013  2.6971  51.496    13.232    38.388    18.913    64.061    18.517    16.498  4.2530  21.528  3.3179  -5.030336      5.394132 
1 1 1 -12 -21 12 o 81.043  2.1498  886.339   46.665    877.597   65.674    895.253   66.319    80.639  3.0406  81.447  3.0400  -0.8072281     4.299646 
1 1 1 -12 -21 13 o 86.655  2.2294  1013.86   51.732    984.361   72.671    1044.16   73.661    85.371  3.1780  87.938  3.1273  -2.566719      4.458704 
1 1 1 -12 -21 14 o 84.856  2.2021  972.303   50.045    972.160   70.221    972.451   71.340    84.855  3.0896  84.857  3.1387  -0.1724243E-02 4.404231 
1 1 1 -12 -21 15 o 69.814  2.0353  657.642   38.047    667.266   53.378    647.703   54.245    70.341  2.8331  69.287  2.9229  1.054245       4.070622 
1 1 1 -12 -21 16 o 63.486  1.9753  543.054   33.565    515.015   46.765    572.845   48.203    61.793  2.8255  65.180  2.7610  -3.387459      3.950510 
1 1 1 -12 -21 17 o 73.665  2.0682  732.647   40.794    739.984   57.110    725.003   58.289    74.050  2.8794  73.279  2.9697  0.7711639      4.136458 
1 1 1 -12 -21 18 o 10.398  2.7874  10.434    10.678    12.269    15.544    8.7932    14.695    10.809  4.0197  9.9875  3.8627  0.8219242      5.574821 
1 1 1 -12 -21 19 o 17.871  2.7088  44.993    12.577    46.959    17.947    43.096    17.630    18.266  3.7923  17.475  3.8689  0.7917137      5.417560 
1 1 1 -12 -21 20 o 40.591  1.9300  223.452   20.835    237.092   29.588    210.037   29.344    41.839  2.6541  39.343  2.8029  2.495594       3.860091 
1 1 1 -12 -21 21 o 18.576  2.7530  49.099    13.468    71.646    19.462    28.375    18.658    22.768  3.2864  14.384  4.4176  8.383894       5.505982 
1 1 1 -12 -21 22 o 38.048  1.9696  196.813   19.903    208.787   28.161    184.863   28.134    39.228  2.6966  36.868  2.8716  2.359825       3.939228 
1 1 1 -12 -21 23 o 25.250  2.2557  87.848    14.866    95.702    21.146    80.172    20.904    26.414  3.0446  24.086  3.3293  2.327826       4.511467 
1 1 1 -12 -21 24 o 38.495  2.0111  201.514   20.563    215.122   29.398    188.478   28.773    39.787  2.7760  37.202  2.9108  2.585529       4.022273 
1 1 1 -12 -21 25 o 27.779  2.3167  106.623   16.457    136.113   23.911    80.078    22.685    31.579  2.8578  23.978  3.6471  7.601002       4.633397 
1 1 1 -12 -21 26 o 59.527  2.0181  480.076   32.161    483.672   46.289    476.721   44.718    59.732  2.8932  59.321  2.8144  0.4115372      4.036266 
1 1 1 -12 -21 27 o 27.118  2.5001  104.879   17.063    78.523    24.832    128.454   23.485    23.597  4.0761  30.638  2.8962  -7.040810      5.000293 
1 1 1 -12 -21 28 o 58.415  2.0408  463.774   31.865    481.923   45.608    446.466   44.539    59.575  2.8582  57.255  2.9139  2.319485       4.081662 
1 1 1 -12 -21 29 o 60.142  2.0714  492.473   33.277    522.824   47.618    463.501   46.522    62.009  2.8670  58.274  2.9906  3.734776       4.142856 
1 1 1 -12 -21 30 o 33.430  2.3056  155.414   20.181    135.947   28.991    173.718   28.111    31.284  3.5210  35.576  2.9774  -4.292564      4.611106 
1 1 1 -12 -21 31 o 52.565  2.1290  378.710   29.845    387.308   42.677    370.481   41.752    53.151  3.0101  51.980  3.0118  1.171646       4.258070 
1 1 1 -12 -21 32 o 36.261  2.3308  182.688   22.335    173.612   32.083    191.223   31.112    35.327  3.4340  37.196  3.1524  -1.869122      4.661593 
1 1 1 -12 -21 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -21 34 o 40.361  2.3210  227.153   24.709    259.467   35.467    196.680   34.442    43.261  3.0810  37.461  3.4721  5.799942       4.641981 
1 1 1 -12 -21 35 o 15.769  3.4006  35.541    16.292    22.033    22.568    50.242    23.544    13.244  4.8582  18.293  4.7595  -5.048936      6.801137 
1 1 1 -12 -21 36 o 17.941  3.5141  49.087    17.518    53.366    24.692    44.751    24.858    18.721  4.8759  17.161  5.0619  1.560680       7.028292 
1 1 1 -12 -21 37 o 39.244  2.4893  219.525   25.885    215.230   36.542    223.850   36.671    38.835  3.5524  39.653  3.4882  -0.8181229     4.978662 
1 1 1 -12 -21 38 o 34.343  2.6588  170.824   23.963    188.635   34.386    154.007   33.412    36.209  3.5930  32.478  3.9201  3.731102       5.317634 
1 1 1 -12 -21 39 o 25.366  3.2749  98.385    21.426    96.990    29.924    99.852    30.692    25.196  4.6037  25.536  4.6589  -0.3403263     6.549731 
1 1 1 -12 -21 40 o 34.324  2.8603  174.979   25.712    185.910   36.121    163.750   36.608    35.573  3.8525  33.076  4.2290  2.496906       5.720679 
1 1 1 -12 -21 41 o 37.592  2.8465  210.842   28.007    233.244   39.426    188.020   39.793    39.885  3.7339  35.299  4.2974  4.585579       5.692969 
1 1 1 -12 -21 42 o 26.450  3.5252  112.865   23.927    128.890   33.290    95.739    34.415    28.894  4.4438  24.006  5.4738  4.888580       7.050499 
1 1 1 -12 -21 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -21 44 o 19.363  4.0028  67.942    23.468    42.586    32.987    93.927    33.394    15.577  5.8434  23.148  5.4723  -7.571922      8.005678 
1 1 1 -12 -20 1  o 58.440  1.9769  460.771   30.938    449.837   43.756    471.702   43.749    57.741  2.8292  59.138  2.7619  -1.396946      3.953808 
1 1 1 -12 -20 2  o 36.336  1.9131  179.429   18.407    196.830   25.975    161.874   26.089    38.143  2.5572  34.529  2.8463  3.614239       3.826300 
1 1 1 -12 -20 3  o 31.783  2.0303  138.827   16.845    115.644   24.141    160.827   23.517    29.100  3.1473  34.466  2.5658  -5.365589      4.060677 
1 1 1 -12 -20 4  o 21.175  2.2547  62.528    12.242    53.900    17.769    70.324    16.891    19.680  3.4991  22.669  2.8445  -2.988255      4.509413 
1 1 1 -12 -20 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 10 f 18.374  4.3203  47.571    20.905    0.0000    0.0000    47.571    20.905    ?       ?       18.374  4.3203  ?              ?        
1 1 1 -12 -20 11 o 51.554  3.6252  360.680   49.741    0.0000    0.0000    360.680   49.741    ?       ?       51.554  3.6252  ?              ?        
1 1 1 -12 -20 12 o 70.414  3.9883  672.896   74.912    0.0000    0.0000    672.896   74.912    ?       ?       70.414  3.9883  ?              ?        
1 1 1 -12 -20 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 18 f 150.860 3.1550  3095.45   127.460   3155.23   179.850   3035.13   180.665   152.352 4.4073  149.369 4.5157  2.982758       6.309990 
1 1 1 -12 -20 19 o 81.206  2.1500  890.051   46.749    911.958   65.968    867.950   66.260    82.219  2.9955  80.193  3.0848  2.025963       4.299918 
1 1 1 -12 -20 20 o 23.086  2.4400  73.787    14.589    79.040    20.551    68.451    20.713    23.964  3.2884  22.208  3.6058  1.756447       4.880099 
1 1 1 -12 -20 21 o 64.322  1.9931  558.151   34.337    560.560   48.795    555.788   48.327    64.458  2.8262  64.186  2.8110  0.2724380      3.986162 
1 1 1 -12 -20 22 o 34.364  1.9872  160.317   18.124    166.342   26.001    154.623   25.276    34.998  2.7970  33.730  2.8237  1.267899       3.974475 
1 1 1 -12 -20 23 o 100.160 2.3868  1359.73   64.025    1390.56   90.940    1329.44   90.156    101.294 3.3518  99.026  3.3990  2.267975       4.773695 
1 1 1 -12 -20 24 o 66.844  2.0242  603.918   36.236    607.466   51.804    600.519   50.703    67.032  2.8853  66.657  2.8399  0.3746109      4.048466 
1 1 1 -12 -20 25 o 42.550  1.9695  245.494   22.307    253.516   32.279    238.160   30.862    43.213  2.8039  41.886  2.7664  1.327183       3.938908 
1 1 1 -12 -20 26 o 33.001  2.0955  148.620   18.294    149.341   26.683    147.981   25.130    33.059  3.0476  32.943  2.8769  0.1164322      4.191001 
1 1 1 -12 -20 27 o 22.309  2.5440  70.125    14.539    59.587    20.879    80.046    20.258    20.548  3.9370  24.070  3.2232  -3.522387      5.088090 
1 1 1 -12 -20 28 o 25.888  2.4158  92.843    16.336    91.479    23.297    94.163    22.911    25.683  3.4759  26.093  3.3560  -0.4097023     4.831640 
1 1 1 -12 -20 29 o 27.926  2.3685  108.128   17.287    99.732    24.731    116.150   24.175    26.801  3.5311  29.051  3.1576  -2.250490      4.736966 
1 1 1 -12 -20 30 o 46.712  2.1017  298.242   26.133    290.672   37.477    305.405   36.458    46.108  3.0519  47.316  2.8906  -1.207905      4.203477 
1 1 1 -12 -20 31 o 37.460  2.2352  192.975   22.189    192.046   32.147    193.821   30.665    37.347  3.2459  37.573  3.0739  -0.2261810     4.470459 
1 1 1 -12 -20 32 o 45.898  2.1668  289.366   26.468    283.883   37.874    294.601   37.005    45.447  3.1305  46.350  2.9968  -0.9029350     4.333634 
1 1 1 -12 -20 33 o 31.705  2.5724  142.418   20.978    113.829   29.865    170.263   29.474    28.327  4.0515  35.084  3.1707  -6.756966      5.144722 
1 1 1 -12 -20 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -20 35 o 17.962  3.4232  48.097    17.866    68.259    24.916    26.756    25.633    21.552  4.4630  14.372  5.1919  7.180267       6.846473 
1 1 1 -12 -20 36 o 43.178  2.3775  261.480   27.267    255.580   38.793    267.242   38.334    42.659  3.4240  43.698  3.2995  -1.039261      4.755043 
1 1 1 -12 -20 37 o 50.422  2.3250  357.175   31.228    357.564   44.186    356.787   44.141    50.450  3.2879  50.395  3.2882  0.5525208E-01  4.649946 
1 1 1 -12 -20 38 o 29.486  2.9319  127.884   22.465    121.465   32.123    134.028   31.428    28.643  4.3215  30.330  3.9634  -1.687132      5.863801 
1 1 1 -12 -20 39 o 23.958  3.2905  87.545    20.344    79.687    28.337    95.903    29.226    22.729  4.8050  25.187  4.4970  -2.458347      6.581088 
1 1 1 -12 -20 40 f 19.852  3.7337  63.002    20.436    50.635    28.318    76.441    29.521    17.745  5.4411  21.959  5.1144  -4.214193      7.467402 
1 1 1 -12 -20 41 o 23.199  3.7077  86.475    22.489    87.752    31.253    85.105    32.385    23.475  5.1152  22.924  5.3687  0.5506725      7.415434 
1 1 1 -12 -20 42 o 11.704  3.3415  7.2641    18.295    30.084    24.612    -20.9111  27.348    14.208  5.0929  9.1995  4.3272  5.008357       6.683007 
1 1 1 -12 -20 43 o 13.108  3.5445  15.558    19.774    -13.0644  27.733    45.157    28.202    9.7434  4.5068  16.472  5.4720  -6.728827      7.089028 
1 1 1 -12 -20 44 f 22.773  5.8848  92.583    36.154    92.583    36.154    0.0000    0.0000    22.773  5.8848  ?       ?       ?              ?        
1 1 1 -12 -20 45 f 13.075  3.7708  23.442    21.450    33.750    28.632    10.255    32.384    14.219  5.4188  11.931  5.2452  2.288805       7.541600 
1 1 1 -12 -19 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -19 2  o 70.548  3.9620  675.693   74.563    0.0000    0.0000    675.693   74.563    ?       ?       70.548  3.9620  ?              ?        
1 1 1 -12 -19 3  o 66.726  2.0170  599.477   36.041    589.616   51.193    609.168   50.748    66.177  2.8881  67.274  2.8163  -1.096992      4.033966 
1 1 1 -12 -19 4  o 13.456  2.5643  25.329    9.4365    23.980    14.061    26.434    12.729    13.177  3.7844  13.736  3.4613  -0.5589209     5.128520 
1 1 1 -12 -19 5  o 41.312  1.8889  230.717   20.743    248.191   29.377    213.341   29.293    42.893  2.5688  39.731  2.7700  3.162090       3.777747 
1 1 1 -12 -19 6  o 71.823  2.0528  693.967   39.491    696.991   55.974    690.971   55.724    71.979  2.9033  71.667  2.9029  0.3114853      4.105614 
1 1 1 -12 -19 7  o 153.144 3.1700  3173.55   130.002   3265.27   184.479   3083.08   183.228   155.359 4.4332  150.928 4.5324  4.430801       6.340075 
1 1 1 -12 -19 8  o 129.743 2.8241  2272.42   98.135    2308.85   139.042   2236.26   138.526   130.786 3.9692  128.700 4.0185  2.085144       5.648229 
1 1 1 -12 -19 9  o 94.261  2.3301  1196.36   58.823    1210.64   83.045    1181.99   83.333    94.829  3.2695  93.693  3.3207  1.136185       4.660104 
1 1 1 -12 -19 10 f 76.040  2.0792  778.000   42.327    796.590   59.439    758.872   60.290    76.969  2.8832  75.112  2.9967  1.856415       4.158479 
1 1 1 -12 -19 11 o 34.217  1.9798  157.877   17.946    144.921   24.625    172.551   26.208    32.710  2.8388  35.723  2.7604  -3.013214      3.959636 
1 1 1 -12 -19 12 o 52.602  1.9094  372.721   26.821    381.854   37.400    363.051   38.486    53.308  2.6193  51.895  2.7788  1.413219       3.818706 
1 1 1 -12 -19 13 o 87.927  2.2156  1041.40   52.127    1076.43   73.002    1004.96   74.457    89.448  3.0470  86.405  3.2172  3.042885       4.431122 
1 1 1 -12 -19 14 o 79.146  2.0912  842.382   44.324    828.242   62.036    857.129   63.353    78.469  2.9516  79.824  2.9631  -1.355309      4.182315 
1 1 1 -12 -19 15 o 122.123 2.6691  2011.98   87.301    1977.82   122.817   2046.88   124.118   121.072 3.7873  123.174 3.7621  -2.101646      5.338221 
1 1 1 -12 -19 16 o 128.649 2.7754  2234.99   95.635    2222.20   134.734   2247.99   135.768   128.279 3.9213  129.019 3.9287  -0.7403870     5.550848 
1 1 1 -12 -19 17 f 125.731 2.7172  2135.29   91.450    2041.39   128.851   2230.60   129.814   122.925 3.9134  128.536 3.7706  -5.610680      5.434344 
1 1 1 -12 -19 18 o 25.078  2.2692  86.300    14.633    105.770   21.173    68.497    20.247    27.887  2.8759  22.268  3.5109  5.619415       4.538367 
1 1 1 -12 -19 19 f 16.425  4.7689  37.409    22.219    0.0000    0.0000    37.409    22.219    ?       ?       16.425  4.7689  ?              ?        
1 1 1 -12 -19 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -19 21 o 18.306  4.8463  47.297    24.136    47.297    24.136    0.0000    0.0000    18.306  4.8463  ?       ?       ?              ?        
1 1 1 -12 -19 22 o 99.518  2.3891  1338.86   63.679    1332.61   90.491    1344.99   89.626    99.281  3.4029  99.755  3.3544  -0.4734955     4.778238 
1 1 1 -12 -19 23 o 129.493 2.8162  2277.80   97.670    2254.87   138.531   2300.47   137.725   128.831 4.0146  130.156 3.9506  -1.325531      5.632373 
1 1 1 -12 -19 24 o 41.223  1.9479  230.195   21.362    231.826   30.969    228.715   29.504    41.352  2.8127  41.093  2.6955  0.2591171      3.895780 
1 1 1 -12 -19 25 o 32.613  2.1132  145.919   18.115    131.459   26.213    159.135   25.061    31.001  3.2030  34.224  2.7573  -3.222881      4.226329 
1 1 1 -12 -19 26 o 89.153  2.2931  1077.78   54.740    1060.30   77.998    1094.76   76.844    88.424  3.2932  89.883  3.1919  -1.459404      4.586220 
1 1 1 -12 -19 27 o 41.877  2.0421  241.551   22.395    198.442   32.188    281.996   31.178    38.125  3.1812  45.630  2.5614  -7.504803      4.084198 
1 1 1 -12 -19 28 o 55.244  1.9913  413.014   29.382    438.842   42.427    389.209   40.730    56.946  2.7815  53.543  2.8503  3.403904       3.982634 
1 1 1 -12 -19 29 o 65.613  2.0868  584.059   36.664    573.992   52.166    593.886   51.541    65.042  2.9943  66.184  2.9074  -1.142044      4.173646 
1 1 1 -12 -19 30 o 11.720  3.1332  13.944    13.559    17.505    18.823    10.103    19.549    12.263  4.4461  11.177  4.4160  1.086501       6.266494 
1 1 1 -12 -19 31 o 17.631  3.0546  44.770    15.124    66.125    21.386    23.406    21.391    21.645  3.8289  13.617  4.7604  8.027783       6.109176 
1 1 1 -12 -19 32 o 42.784  2.1806  251.048   24.810    245.296   35.320    256.650   34.857    42.279  3.1414  43.289  3.0253  -1.009590      4.361262 
1 1 1 -12 -19 33 o 21.017  3.1390  63.860    17.113    64.960    23.942    62.710    24.469    21.230  4.3565  20.805  4.5203  0.4247532      6.277957 
1 1 1 -12 -19 34 o 68.235  2.2426  639.450   40.980    632.646   58.281    646.103   57.634    67.858  3.2066  68.613  3.1361  -0.7555847     4.485201 
1 1 1 -12 -19 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -19 36 o 17.156  3.4979  43.913    17.811    59.109    24.349    26.425    26.121    19.953  4.6431  14.359  5.2328  5.594073       6.995771 
1 1 1 -12 -19 37 o 19.389  3.4751  57.583    18.908    34.927    27.132    78.973    26.364    15.642  5.3674  23.135  4.4155  -7.493220      6.950212 
1 1 1 -12 -19 38 o 17.547  3.6781  47.302    18.527    48.274    25.768    46.262    26.658    17.727  5.1323  17.366  5.2700  0.3617344      7.356231 
1 1 1 -12 -19 39 f 13.845  3.6092  25.541    17.621    23.335    24.058    28.094    25.881    13.406  4.9979  14.283  5.2082  -0.8766003     7.218325 
1 1 1 -12 -19 40 o 21.145  3.5039  69.760    19.659    55.473    27.154    85.497    28.498    18.679  5.2234  23.610  4.6717  -4.930990      7.007782 
1 1 1 -12 -19 41 o 22.720  3.5748  81.647    21.200    77.081    29.646    86.425    30.327    22.005  5.1253  23.435  4.9848  -1.429716      7.149640 
1 1 1 -12 -19 42 o 19.289  3.6192  59.500    21.998    99.418    30.897    18.461    31.328    25.267  4.7394  13.311  5.4710  11.95652       7.238328 
1 1 1 -12 -19 43 o 26.249  3.6751  118.189   25.636    181.451   36.020    53.246    36.495    34.864  3.9254  17.633  6.2143  17.23110       7.350237 
1 1 1 -12 -19 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -19 45 o 15.038  3.7878  35.518    21.462    59.879    29.508    8.1566    31.273    18.308  5.5422  11.769  5.1647  6.538907       7.575621 
1 1 1 -12 -18 1  o 33.638  1.9205  153.361   17.117    164.329   24.172    142.330   24.242    34.868  2.6071  32.409  2.8208  2.459404       3.841032 
1 1 1 -12 -18 2  o 89.475  2.2600  1078.93   54.087    1019.45   76.787    1137.50   76.198    87.010  3.2948  91.940  3.0942  -4.929314      4.519964 
1 1 1 -12 -18 3  o 67.469  2.0011  611.903   36.163    616.779   51.354    607.106   50.933    67.736  2.8305  67.203  2.8296  0.5331650      4.002300 
1 1 1 -12 -18 4  o 90.129  2.2337  1092.45   53.914    1121.38   76.815    1064.37   75.690    91.307  3.1409  88.951  3.1769  2.355682       4.467406 
1 1 1 -12 -18 5  f 86.395  2.2102  1003.67   51.143    1008.72   72.691    998.718   71.970    86.609  3.1335  86.180  3.1178  0.4289322      4.420367 
1 1 1 -12 -18 6  o 98.785  2.3714  1312.73   62.739    1341.04   89.063    1284.86   88.394    99.845  3.3303  97.725  3.3770  2.119896       4.742879 
1 1 1 -12 -18 7  o 60.632  1.9766  493.816   32.072    466.934   45.033    521.486   45.689    58.954  2.8519  62.311  2.7375  -3.356377      3.953123 
1 1 1 -12 -18 8  o 200.227 3.9659  5433.31   212.663   5542.54   301.075   5324.56   300.427   202.256 5.5576  198.197 5.6592  4.059265       7.931751 
1 1 1 -12 -18 9  o 71.469  2.0485  686.018   39.205    665.606   55.004    707.097   55.895    70.387  2.9175  72.551  2.8763  -2.163879      4.096956 
1 1 1 -12 -18 10 o 121.118 2.6709  1974.94   86.634    1927.94   122.157   2022.51   122.885   119.662 3.8113  122.573 3.7429  -2.911057      5.341874 
1 1 1 -12 -18 11 o 124.347 2.7044  2082.18   90.063    2107.51   126.959   2056.51   127.781   125.115 3.7885  123.579 3.8604  1.535690       5.408820 
1 1 1 -12 -18 12 o 121.345 2.6788  1982.38   87.062    1958.65   122.547   2006.57   123.709   120.611 3.7934  122.079 3.7833  -1.468475      5.357520 
1 1 1 -12 -18 13 o 28.146  2.1982  108.524   15.899    82.801    22.103    136.104   22.887    24.572  3.4537  31.719  2.7203  -7.146545      4.396338 
1 1 1 -12 -18 14 o 118.021 2.6115  1875.39   82.547    1877.34   116.105   1873.39   117.385   118.087 3.6708  117.955 3.7154  0.1319580      5.222909 
1 1 1 -12 -18 15 o 54.317  1.9100  396.544   27.733    384.157   38.697    409.623   39.764    53.410  2.7139  55.224  2.6882  -1.813938      3.819958 
1 1 1 -12 -18 16 o 75.516  2.0513  766.356   41.489    757.901   58.288    775.039   59.067    75.094  2.8979  75.938  2.9040  -0.8437119     4.102560 
1 1 1 -12 -18 17 o 19.183  2.6207  51.097    12.956    60.728    18.834    42.448    17.849    20.964  3.4760  17.403  3.9230  3.561155       5.241407 
1 1 1 -12 -18 18 o 130.034 2.7958  2281.32   97.375    2295.64   137.638   2266.97   137.781   130.446 3.9393  129.622 3.9685  0.8239746      5.591677 
1 1 1 -12 -18 19 o 122.146 2.6722  2012.81   87.416    1979.13   123.672   2046.44   123.577   121.117 3.8122  123.175 3.7457  -2.057838      5.344418 
1 1 1 -12 -18 20 o 73.342  2.0224  723.484   39.724    738.090   56.602    709.308   55.764    74.072  2.8529  72.612  2.8672  1.460182       4.044771 
1 1 1 -12 -18 21 o 44.645  1.9073  269.293   22.672    263.961   32.688    274.237   31.473    44.207  2.7747  45.083  2.6176  -0.8761635     3.814563 
1 1 1 -12 -18 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -18 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -18 24 o 102.099 2.4313  1410.52   66.443    1361.96   94.496    1457.99   93.442    100.338 3.5161  103.861 3.3589  -3.522690      4.862629 
1 1 1 -12 -18 25 o 22.861  2.4291  72.914    14.271    63.955    20.676    81.065    19.722    21.417  3.7405  24.306  3.1000  -2.888731      4.858111 
1 1 1 -12 -18 26 o 63.386  2.0220  542.933   34.298    530.306   49.190    554.878   47.846    62.655  2.9311  64.117  2.7860  -1.461811      4.043915 
1 1 1 -12 -18 27 o 16.424  2.8947  39.071    13.282    21.905    19.485    53.970    18.153    13.209  4.5476  19.640  3.5827  -6.431247      5.789340 
1 1 1 -12 -18 28 o 44.910  2.0346  274.704   24.262    261.772   35.226    286.376   33.466    43.867  3.0163  45.954  2.7312  -2.086639      4.069102 
1 1 1 -12 -18 29 o 27.108  2.3144  100.862   16.435    107.228   24.110    95.336    22.462    27.912  3.2880  26.304  3.2579  1.607834       4.628723 
1 1 1 -12 -18 30 f 67.254  2.1207  613.612   38.201    618.528   54.282    608.789   53.769    67.520  3.0014  66.988  2.9967  0.5322876      4.241358 
1 1 1 -12 -18 31 o 72.223  2.1940  709.203   42.423    738.404   60.367    680.711   59.630    73.707  3.0577  70.739  3.1471  2.968742       4.387976 
1 1 1 -12 -18 32 o 42.535  2.1673  247.236   24.499    263.481   35.258    232.069   34.067    43.905  3.0165  41.165  3.1127  2.739922       4.334521 
1 1 1 -12 -18 33 o 77.715  2.3043  825.808   47.963    835.734   68.218    816.105   67.449    78.177  3.2578  77.253  3.2597  0.9244614      4.608548 
1 1 1 -12 -18 34 o 13.275  3.1650  16.116    15.976    43.292    22.479    -11.6205  22.710    17.264  4.7241  9.2864  4.2133  7.977136       6.329955 
1 1 1 -12 -18 35 o 53.020  2.2863  388.208   32.282    371.360   45.812    404.826   45.498    51.831  3.3173  54.208  3.1471  -2.376450      4.572579 
1 1 1 -12 -18 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -18 37 o 41.590  2.4456  243.114   26.760    280.011   38.202    207.566   37.497    44.847  3.2013  38.333  3.6979  6.513901       4.891127 
1 1 1 -12 -18 38 o 10.920  3.1057  -1.4489   15.801    -24.8393  21.375    26.737    23.464    7.7962  3.7134  14.044  4.9792  -6.248034      6.211429 
1 1 1 -12 -18 39 o 17.918  3.7848  49.814    19.655    55.887    27.883    43.816    27.711    18.927  5.2933  16.910  5.4112  2.016489       7.569619 
1 1 1 -12 -18 40 o 11.764  3.4006  8.2555    17.848    23.910    25.335    -7.1698   25.149    13.577  5.1155  9.9518  4.4819  3.625401       6.801178 
1 1 1 -12 -18 41 o 26.064  3.3316  104.535   22.342    107.772   30.706    100.894   32.567    26.675  4.4548  25.453  4.9552  1.222172       6.663276 
1 1 1 -12 -18 42 o 32.635  2.9812  159.572   25.441    154.602   35.600    164.760   36.371    32.085  4.2468  33.184  4.1851  -1.098534      5.962390 
1 1 1 -12 -18 43 o 11.736  3.4614  10.810    18.158    6.0842    25.276    15.851    26.103    11.114  4.7600  12.358  5.0267  -1.243901      6.922835 
1 1 1 -12 -18 44 o 33.512  3.1662  175.179   26.899    215.552   38.176    135.375   37.906    38.038  3.7978  28.985  5.0671  9.053572       6.332355 
1 1 1 -12 -18 45 o 11.781  4.9892  12.202    27.227    12.202    27.227    0.0000    0.0000    11.781  4.9892  ?       ?       ?              ?        
1 1 1 -12 -18 46 o 17.730  3.4873  51.475    22.177    101.588   31.036    -0.8040   31.699    24.525  4.8960  10.934  4.9674  13.59110       6.974689 
1 1 1 -12 -17 1  o 85.828  2.2190  991.086   50.976    954.025   72.356    1027.61   71.830    84.226  3.2073  87.429  3.0673  -3.203354      4.437933 
1 1 1 -12 -17 2  o 39.415  1.8742  209.529   19.670    208.661   27.640    210.419   27.998    39.333  2.6389  39.496  2.6621  -0.1637993     3.748364 
1 1 1 -12 -17 3  o 51.726  1.9026  360.070   26.259    384.975   37.234    335.428   37.038    53.551  2.5959  49.901  2.7822  3.650539       3.805132 
1 1 1 -12 -17 4  o 157.129 3.2468  3329.90   136.644   3317.50   193.802   3342.17   192.689   156.833 4.6135  157.425 4.5698  -0.5925446     6.493654 
1 1 1 -12 -17 5  o 173.814 3.5105  4077.88   163.406   4177.11   231.745   3979.76   230.443   175.930 4.9179  171.699 5.0108  4.231400       7.020986 
1 1 1 -12 -17 6  o 39.833  1.9023  213.910   20.175    212.532   28.291    215.336   28.780    39.704  2.6759  39.963  2.7047  -0.2591476     3.804674 
1 1 1 -12 -17 7  o 116.115 2.5859  1812.99   80.409    1856.21   113.874   1770.01   113.558   117.501 3.6182  114.730 3.6953  2.770538       5.171741 
1 1 1 -12 -17 8  o 98.464  2.3428  1302.54   61.786    1296.97   87.073    1308.18   87.689    98.253  3.3086  98.676  3.3178  -0.4230728     4.685578 
1 1 1 -12 -17 9  o 34.857  2.1174  164.692   19.325    134.023   26.824    197.786   27.865    31.423  3.2333  38.292  2.7348  -6.869013      4.234769 
1 1 1 -12 -17 10 o 199.898 3.9001  5398.08   208.817   5434.65   295.055   5361.39   295.569   200.583 5.4919  199.212 5.5393  1.371246       7.800280 
1 1 1 -12 -17 11 o 139.493 2.9264  2618.76   109.337   2620.20   154.103   2617.29   155.155   139.535 4.1233  139.452 4.1539  0.8245850E-01  5.852839 
1 1 1 -12 -17 12 o 158.297 3.2237  3376.02   136.681   3339.34   192.684   3413.17   193.914   157.430 4.5695  159.165 4.5485  -1.735245      6.447462 
1 1 1 -12 -17 13 o 172.211 3.4673  4000.14   159.933   3995.56   225.615   4004.76   226.748   172.114 4.8940  172.308 4.9130  -0.1933136     6.934606 
1 1 1 -12 -17 14 o 204.579 4.0144  5660.58   219.973   5650.84   310.547   5670.38   311.635   204.405 5.6721  204.754 5.6823  -0.3493958     8.028804 
1 1 1 -12 -17 15 o 198.334 3.9060  5319.48   207.497   5325.44   292.959   5313.48   293.933   198.449 5.5115  198.218 5.5363  0.2314911      7.811946 
1 1 1 -12 -17 16 o 63.138  1.9161  535.537   32.382    554.757   45.599    515.982   45.994    64.285  2.6482  61.991  2.7700  2.294205       3.832274 
1 1 1 -12 -17 17 o 118.200 2.6024  1880.08   82.391    1881.71   116.320   1878.44   116.717   118.253 3.6724  118.147 3.6883  0.1053467      5.204821 
1 1 1 -12 -17 18 o 176.155 3.5310  4195.23   166.577   4282.10   235.742   4108.61   235.410   177.992 4.9448  174.318 5.0419  3.674637       7.061962 
1 1 1 -12 -17 19 o 167.809 3.4085  3807.33   153.170   3908.32   216.977   3707.02   216.255   170.046 4.7639  165.573 4.8763  4.473267       6.817070 
1 1 1 -12 -17 20 o 74.778  2.0587  751.230   41.212    786.563   59.003    717.570   57.589    76.497  2.8797  73.059  2.9429  3.437866       4.117443 
1 1 1 -12 -17 21 f 13.766  3.0077  25.470    12.149    25.827    18.326    25.191    16.226    13.922  4.3947  13.611  4.1074  0.3109226      6.015344 
1 1 1 -12 -17 22 o 92.851  2.2894  1162.67   56.860    1106.63   81.085    1216.88   79.755    90.630  3.3402  95.072  3.1319  -4.441811      4.578892 
1 1 1 -12 -17 23 o 89.633  2.2296  1082.14   53.521    1095.64   76.495    1069.19   74.911    90.178  3.1670  89.088  3.1393  1.090202       4.459276 
1 1 1 -12 -17 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -17 25 o 43.061  4.0011  253.441   45.620    253.441   45.620    0.0000    0.0000    43.061  4.0011  ?       ?       ?              ?        
1 1 1 -12 -17 26 o 124.234 2.7769  2094.88   92.389    2061.56   131.083   2127.78   130.238   123.233 3.9713  125.234 3.8826  -2.000725      5.553885 
1 1 1 -12 -17 27 o 83.570  2.2321  944.391   49.957    944.640   71.241    944.150   70.073    83.574  3.1825  83.565  3.1307  0.8468628E-02  4.464252 
1 1 1 -12 -17 28 o 61.379  2.0325  509.647   33.374    494.657   47.935    523.750   46.493    60.486  2.9587  62.273  2.7874  -1.786518      4.064968 
1 1 1 -12 -17 29 o 31.806  2.2886  138.359   18.998    165.704   27.632    113.847   26.161    34.863  2.9880  28.749  3.4674  6.114323       4.577255 
1 1 1 -12 -17 30 o 36.571  2.1241  183.233   20.511    165.221   29.314    200.510   28.710    34.750  3.1848  38.392  2.8114  -3.642178      4.248202 
1 1 1 -12 -17 31 o 38.184  2.1817  199.687   22.012    221.922   31.218    177.700   31.043    40.359  2.9073  36.010  3.2536  4.349030       4.363345 
1 1 1 -12 -17 32 o 56.489  2.1478  434.659   32.346    461.248   46.296    409.300   45.212    58.199  2.9799  54.779  3.0941  3.419792       4.295695 
1 1 1 -12 -17 33 o 35.250  2.3666  171.251   22.067    167.793   31.414    174.620   31.005    34.879  3.4060  35.622  3.2866  -0.7435570     4.733159 
1 1 1 -12 -17 34 o 27.046  2.6900  103.032   18.845    93.409    26.938    112.254   26.373    25.705  4.0462  28.388  3.5458  -2.682575      5.380014 
1 1 1 -12 -17 35 o 90.480  2.4761  1127.73   60.008    1131.77   84.912    1123.71   84.815    90.644  3.4974  90.315  3.5061  0.3292694      4.952189 
1 1 1 -12 -17 36 o 36.673  2.5177  187.783   24.411    181.457   34.317    194.262   34.731    36.025  3.6049  37.322  3.5157  -1.297554      5.035382 
1 1 1 -12 -17 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -17 38 f 23.731  3.1921  83.062    19.547    81.021    27.376    85.185    27.919    23.421  4.5276  24.042  4.5009  -0.6206608     6.384194 
1 1 1 -12 -17 39 f 10.915  3.2033  5.0798    15.638    -3.8113   21.126    15.855    23.257    9.5045  4.2049  12.325  4.8335  -2.820098      6.406531 
1 1 1 -12 -17 40 o 30.544  2.9912  137.676   23.723    149.939   33.654    125.565   33.446    32.054  4.0073  29.034  4.4420  3.020271       5.982495 
1 1 1 -12 -17 41 o 38.297  2.6887  213.493   27.168    219.113   37.759    207.461   39.118    38.930  3.6643  37.664  3.9357  1.265160       5.377469 
1 1 1 -12 -17 42 f 31.255  3.1313  148.710   25.095    171.241   35.165    125.326   35.824    34.089  3.9229  28.422  4.8817  5.667063       6.262566 
1 1 1 -12 -17 43 o 37.127  2.9103  205.932   28.429    209.274   39.675    202.407   40.755    37.536  4.0082  36.719  4.2206  0.8163834      5.820568 
1 1 1 -12 -17 44 o 20.758  4.0663  73.681    23.396    75.893    32.007    71.142    34.286    21.243  5.5603  20.272  5.9349  0.9710426      8.132619 
1 1 1 -12 -17 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -17 46 f 20.105  3.4983  72.632    18.222    56.769    33.170    79.489    21.807    17.454  5.9351  22.757  3.7050  -5.302917      6.996603 
1 1 1 -12 -16 1  o 19.437  2.3558  52.154    11.819    54.244    16.964    50.182    16.476    19.828  3.3109  19.047  3.3521  0.7812176      4.711511 
1 1 1 -12 -16 2  o 125.903 2.7174  2132.84   91.598    2069.77   130.024   2194.98   129.059   124.044 3.9134  127.761 3.7714  -3.717094      5.434898 
1 1 1 -12 -16 3  o 56.616  1.9060  430.127   28.902    433.968   40.885    426.290   40.863    56.869  2.6841  56.363  2.7068  0.5062065      3.811945 
1 1 1 -12 -16 4  o 123.868 2.7130  2062.40   90.001    2105.37   127.823   2020.14   126.746   125.150 3.8132  122.586 3.8602  2.564789       5.425989 
1 1 1 -12 -16 5  o 227.010 4.3905  6966.56   266.955   6938.41   378.051   6994.56   377.013   226.546 6.2303  227.475 6.1878  -0.9294128     8.780919 
1 1 1 -12 -16 6  o 89.890  2.2667  1084.76   54.574    1083.29   77.133    1086.24   77.227    89.829  3.2058  89.952  3.2053  -0.1225052     4.533321 
1 1 1 -12 -16 7  o 183.257 3.6223  4524.82   177.799   4546.30   251.553   4503.38   251.340   183.694 5.1126  182.821 5.1327  0.8733673      7.244573 
1 1 1 -12 -16 8  o 117.302 2.5855  1848.46   81.229    1861.62   114.575   1835.17   115.179   117.724 3.6336  116.881 3.6791  0.8437195      5.170939 
1 1 1 -12 -16 9  o 35.280  2.0347  168.007   18.977    148.657   26.378    188.767   27.322    33.148  3.0036  37.411  2.7457  -4.263474      4.069479 
1 1 1 -12 -16 10 o 130.868 2.7916  2301.70   97.817    2217.14   137.694   2387.85   138.983   128.435 4.0026  133.301 3.8926  -4.865646      5.583273 
1 1 1 -12 -16 11 o 185.501 3.6458  4636.23   181.144   4634.99   255.669   4637.48   256.685   185.478 5.1463  185.523 5.1655  -0.4559326E-01 7.291588 
1 1 1 -12 -16 12 o 91.256  2.1974  1117.43   53.664    1055.54   75.169    1181.76   76.638    88.676  3.1648  93.836  3.0492  -5.159744      4.394714 
1 1 1 -12 -16 13 o 55.361  1.8737  412.506   27.674    432.869   38.599    390.968   39.697    56.809  2.5367  53.912  2.7583  2.897186       3.747393 
1 1 1 -12 -16 14 o 192.992 3.7924  5023.07   196.037   5019.46   276.740   5026.70   277.739   192.924 5.3554  193.060 5.3710  -0.1351929     7.584758 
1 1 1 -12 -16 15 o 90.905  2.2010  1109.32   53.584    1082.14   75.384    1137.09   76.182    89.778  3.1349  92.033  3.0904  -2.254532      4.402075 
1 1 1 -12 -16 16 o 24.255  2.2381  80.383    14.182    82.883    19.946    77.827    20.170    24.655  3.0881  23.856  3.2404  0.7983704      4.476252 
1 1 1 -12 -16 17 o 88.841  2.1899  1060.12   52.089    1097.06   73.771    1023.40   73.560    90.388  3.0471  87.293  3.1461  3.094780       4.379793 
1 1 1 -12 -16 18 o 150.956 3.0842  3069.62   124.701   3096.92   176.598   3042.47   176.113   151.628 4.3483  150.284 4.3751  1.344193       6.168384 
1 1 1 -12 -16 19 o 44.881  1.8931  271.575   22.615    267.204   32.791    275.541   31.231    44.526  2.7631  45.235  2.5884  -0.7091599     3.786105 
1 1 1 -12 -16 20 o 73.474  2.0609  725.139   40.549    727.862   58.041    722.542   56.673    73.606  2.9440  73.341  2.8849  0.2649078      4.121878 
1 1 1 -12 -16 21 o 58.525  1.9361  459.978   30.338    463.488   43.591    456.681   42.249    58.739  2.7706  58.310  2.7051  0.4287262      3.872181 
1 1 1 -12 -16 22 o 71.022  2.0358  678.575   38.691    659.236   55.381    697.013   54.077    70.026  2.9527  72.018  2.8034  -1.992004      4.071516 
1 1 1 -12 -16 23 o 72.232  2.0748  701.985   40.110    694.705   57.727    708.780   55.771    71.863  2.9990  72.601  2.8680  -0.7380753     4.149621 
1 1 1 -12 -16 24 o 60.863  1.9683  497.721   32.069    519.257   46.175    477.653   44.573    62.134  2.7745  59.591  2.7926  2.542793       3.936562 
1 1 1 -12 -16 25 o 131.419 2.8494  2336.74   100.269   2418.01   142.621   2257.31   140.996   133.694 3.9828  129.144 4.0761  4.549591       5.698834 
1 1 1 -12 -16 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -16 27 o 29.234  2.3419  117.305   17.945    110.359   25.894    123.724   24.891    28.355  3.4826  30.112  3.1320  -1.756569      4.683748 
1 1 1 -12 -16 28 o 88.011  2.3199  1048.83   54.648    1011.03   77.702    1085.82   76.872    86.419  3.3569  89.602  3.2031  -3.182648      4.639843 
1 1 1 -12 -16 29 o 8.0989  2.5516  -6.7591   10.962    -10.0588  14.066    -1.6556   17.493    7.0959  3.2558  9.1019  3.9297  -2.006053      5.103252 
1 1 1 -12 -16 30 o 64.427  2.1098  561.636   36.393    584.777   52.084    539.560   50.871    65.728  2.9585  63.125  3.0087  2.603790       4.219589 
1 1 1 -12 -16 31 o 51.172  2.1295  357.039   28.981    334.259   41.478    378.769   40.510    49.534  3.1426  52.811  2.8747  -3.277710      4.259063 
1 1 1 -12 -16 32 o 49.310  2.1320  331.255   28.014    329.615   40.084    332.821   39.167    49.179  3.0582  49.442  2.9714  -0.2632751     4.263987 
1 1 1 -12 -16 33 o 9.9484  2.9243  3.7293    12.846    2.7811    17.848    4.7486    18.505    9.7336  4.0762  10.163  4.1942  -0.4295321     5.848681 
1 1 1 -12 -16 34 o 44.333  2.2392  269.690   26.375    254.178   37.357    285.107   37.243    43.023  3.2662  45.644  3.0640  -2.621609      4.478417 
1 1 1 -12 -16 35 o 26.422  2.8245  98.544    19.356    102.791   27.673    94.476    27.084    27.007  3.9417  25.836  4.0466  1.170183       5.649057 
1 1 1 -12 -16 36 f 16.767  3.4610  40.953    16.594    45.372    22.713    35.895    24.302    17.619  4.7185  15.916  5.0647  1.703328       6.922051 
1 1 1 -12 -16 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -16 38 o 23.908  3.1529  84.056    19.399    74.229    27.578    93.682    27.294    22.357  4.7518  25.459  4.1452  -3.101471      6.305728 
1 1 1 -12 -16 39 o 26.285  3.1071  101.366   21.078    94.012    29.319    109.231   30.323    25.223  4.5051  27.347  4.2801  -2.124233      6.214109 
1 1 1 -12 -16 40 o 13.615  3.5342  23.973    17.284    31.763    23.383    14.591    25.662    14.777  4.9834  12.452  5.0127  2.325402       7.068339 
1 1 1 -12 -16 41 o 28.712  3.1390  123.158   23.296    111.222   32.143    136.364   33.811    27.128  4.5872  30.296  4.2861  -3.168915      6.278023 
1 1 1 -12 -16 42 o 14.337  3.6047  28.983    18.595    42.692    24.509    10.386    28.545    16.485  5.0631  12.189  5.1324  4.295382       7.209474 
1 1 1 -12 -16 43 o 24.969  3.6080  99.142    23.273    101.405   31.957    96.587    33.960    25.459  4.8638  24.480  5.3305  0.9788742      7.215974 
1 1 1 -12 -16 44 o 10.217  3.0034  7.7034    13.402    -3.2597   24.030    12.653    16.146    9.9328  4.4341  10.501  4.0523  -0.5680351     6.006802 
1 1 1 -12 -16 45 o 17.051  3.2889  34.090    15.827    87.395    29.926    13.388    18.649    23.192  4.9672  10.909  4.3122  12.28327       6.577853 
1 1 1 -12 -16 46 o 14.414  3.3197  35.373    15.115    19.631    28.473    41.551    17.836    12.673  5.2131  16.155  4.1116  -3.482062      6.639347 
1 1 1 -12 -15 1  o 167.833 3.3768  3793.35   151.770   3724.22   215.179   3861.79   214.094   166.300 4.8308  169.365 4.7195  -3.064972      6.753506 
1 1 1 -12 -15 2  o 170.717 3.4483  3925.61   157.590   3788.00   223.351   4062.02   222.384   167.719 4.9718  173.715 4.7794  -5.996460      6.896542 
1 1 1 -12 -15 3  o 107.414 2.4749  1549.09   71.179    1604.92   101.226   1494.47   100.107   109.331 3.4567  105.496 3.5428  3.835854       4.949708 
1 1 1 -12 -15 4  o 151.337 3.1304  3079.55   126.890   3098.70   179.928   3060.61   178.974   151.805 4.4251  150.869 4.4290  0.9363861      6.260754 
1 1 1 -12 -15 5  f 100.549 2.3445  1356.94   63.140    1362.72   89.488    1351.20   89.100    100.762 3.3157  100.335 3.3154  0.4268188      4.688913 
1 1 1 -12 -15 6  o 18.526  2.5645  48.197    12.240    30.973    16.994    66.763    17.643    14.954  4.1138  22.098  3.0632  -7.143289      5.129018 
1 1 1 -12 -15 7  o 178.160 3.5086  4271.98   167.375   4402.42   236.858   4141.88   236.551   180.889 4.8886  175.431 5.0342  5.458557       7.017248 
1 1 1 -12 -15 8  o 35.090  2.0309  166.487   18.823    146.707   26.360    187.067   26.888    32.931  3.0222  37.249  2.7137  -4.318382      4.061760 
1 1 1 -12 -15 9  o 164.080 3.2850  3620.48   144.372   3619.13   203.759   3621.84   204.589   164.050 4.6371  164.109 4.6543  -0.5886841E-01 6.570093 
1 1 1 -12 -15 10 o 60.088  1.9126  484.706   30.523    414.238   42.342    560.945   44.042    55.498  2.8581  64.679  2.5422  -9.180149      3.825139 
1 1 1 -12 -15 11 o 263.378 5.0039  9382.43   352.897   9635.66   498.792   9128.64   499.353   266.973 6.9753  259.783 7.1764  7.190002       10.00782 
1 1 1 -12 -15 12 o 93.118  2.2175  1163.35   55.305    1151.43   77.670    1175.61   78.766    92.634  3.1304  93.601  3.1417  -0.9669647     4.435054 
1 1 1 -12 -15 13 o 111.876 2.4924  1680.29   74.684    1665.65   105.092   1695.23   106.154   111.384 3.5226  112.368 3.5270  -0.9842300     4.984811 
1 1 1 -12 -15 14 o 167.678 3.3452  3782.78   150.242   3768.84   212.116   3796.82   212.835   167.368 4.7316  167.988 4.7301  -0.6205139     6.690485 
1 1 1 -12 -15 15 o 105.560 2.3662  1495.84   66.900    1480.73   94.381    1511.10   94.843    105.024 3.3551  106.096 3.3374  -1.072754      4.732366 
1 1 1 -12 -15 16 o 116.564 2.5685  1825.06   80.188    1809.79   113.497   1840.29   113.311   116.076 3.6505  117.053 3.6141  -0.9771957     5.136926 
1 1 1 -12 -15 17 o 153.799 3.1499  3183.15   129.706   3296.99   183.822   3070.28   183.043   156.549 4.3839  151.048 4.5243  5.500320       6.299796 
1 1 1 -12 -15 18 o 151.135 3.0798  3073.59   124.672   3087.26   176.768   3060.06   175.862   151.469 4.3570  150.801 4.3539  0.6681671      6.159543 
1 1 1 -12 -15 19 o 119.806 2.5956  1929.13   83.282    1973.90   118.364   1885.23   117.202   121.185 3.6465  118.426 3.6949  2.758926       5.191273 
1 1 1 -12 -15 20 o 86.156  2.2009  997.616   50.754    972.649   72.517    1021.59   71.061    85.093  3.1817  87.219  3.0418  -2.125885      4.401774 
1 1 1 -12 -15 21 o 213.878 4.2174  6202.11   241.408   5931.56   341.931   6471.00   340.876   209.165 6.1032  218.590 5.8221  -9.424194      8.434798 
1 1 1 -12 -15 22 o 102.236 2.4130  1406.05   66.059    1394.13   94.310    1417.54   92.557    101.804 3.4586  102.667 3.3658  -0.8631439     4.826038 
1 1 1 -12 -15 23 o 49.368  1.9420  326.389   25.448    380.880   37.327    279.069   34.784    53.254  2.6169  45.481  2.8701  7.772236       3.884008 
1 1 1 -12 -15 24 o 47.764  1.9565  307.219   24.906    321.075   36.016    294.520   34.478    48.798  2.7669  46.730  2.7669  2.068207       3.913014 
1 1 1 -12 -15 25 o 83.952  2.2218  948.610   49.952    966.850   71.412    931.135   69.897    84.741  3.1462  83.163  3.1379  1.578758       4.443533 
1 1 1 -12 -15 26 o 62.739  2.0277  529.680   34.058    535.039   49.041    524.688   47.335    63.041  2.9043  62.437  2.8304  0.6046028      4.055416 
1 1 1 -12 -15 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -15 28 o 93.609  2.3988  1185.15   60.131    1170.27   85.583    1199.66   84.503    93.017  3.4351  94.201  3.3491  -1.183723      4.797503 
1 1 1 -12 -15 29 o 106.504 2.5853  1539.03   73.744    1519.10   104.495   1558.81   104.086   105.805 3.6872  107.202 3.6249  -1.397400      5.170664 
1 1 1 -12 -15 30 o 50.563  2.0829  346.527   28.046    372.734   40.286    321.878   39.069    52.437  2.8793  48.689  3.0106  3.747890       4.165804 
1 1 1 -12 -15 31 o 24.251  2.6565  82.132    16.616    91.861    23.597    72.562    23.402    25.766  3.5106  22.737  3.9881  3.028564       5.313070 
1 1 1 -12 -15 32 o 77.435  2.2740  814.998   47.124    853.102   66.652    776.913   66.636    79.271  3.1391  75.598  3.2908  3.673134       4.547942 
1 1 1 -12 -15 33 o 19.908  3.0955  56.276    16.059    48.869    21.917    64.862    23.598    18.462  4.4781  21.354  4.2750  -2.891891      6.191047 
1 1 1 -12 -15 34 o 53.725  2.1820  394.175   31.265    392.743   44.460    395.576   43.973    53.621  3.1090  53.830  3.0625  -0.2090988     4.364015 
1 1 1 -12 -15 35 o 56.753  2.2246  441.212   33.652    418.881   47.490    463.735   47.693    55.275  3.2216  58.230  3.0687  -2.954571      4.449223 
1 1 1 -12 -15 36 o 29.200  2.6856  119.876   20.441    110.605   28.936    129.112   28.881    27.994  3.9704  30.406  3.6172  -2.412035      5.371107 
1 1 1 -12 -15 37 o 27.069  2.9495  104.713   20.690    102.728   29.479    106.641   29.047    26.780  4.2518  27.359  4.0892  -0.5790634     5.899099 
1 1 1 -12 -15 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -15 39 o 12.893  3.4136  15.712    17.014    -0.9263   23.458    34.181    24.714    10.368  4.5134  15.419  5.1225  -5.050774      6.827158 
1 1 1 -12 -15 40 o 70.140  2.5010  694.880   46.867    703.559   65.378    685.704   67.221    70.714  3.4517  69.566  3.6201  1.147171       5.001945 
1 1 1 -12 -15 41 o 29.787  3.0337  131.181   23.465    121.700   32.516    141.485   33.897    28.587  4.3866  30.986  4.1918  -2.398994      6.067401 
1 1 1 -12 -15 42 o 28.143  2.5993  111.199   18.396    131.046   31.433    100.859   22.688    29.772  4.0466  26.514  3.2636  3.258429       5.198609 
1 1 1 -12 -15 43 o 18.618  3.1427  60.049    15.804    30.734    27.583    74.377    19.283    14.572  5.3671  22.664  3.2712  -8.092031      6.285425 
1 1 1 -12 -15 44 o 22.988  3.2130  83.883    17.987    75.625    31.169    88.006    22.025    21.443  5.4233  24.533  3.4469  -3.089785      6.425985 
1 1 1 -12 -15 45 o 21.645  3.2886  79.773    17.509    59.080    31.070    89.403    21.194    18.562  5.7006  24.729  3.2807  -6.167747      6.577278 
1 1 1 -12 -15 46 o 23.540  8.5204  135.898   69.084    135.898   69.084    0.0000    0.0000    23.540  8.5204  ?       ?       ?              ?        
1 1 1 -12 -15 47 o 13.188  3.2339  28.810    16.036    -3.1675   29.952    41.660    18.987    10.506  4.7943  15.871  4.3412  -5.364573      6.467736 
1 1 1 -12 -14 1  o 119.514 2.6298  1918.59   84.162    1877.46   119.425   1959.18   118.624   118.236 3.7710  120.791 3.6665  -2.554962      5.259612 
1 1 1 -12 -14 2  o 78.236  2.0684  821.125   43.340    812.614   61.473    829.536   61.111    77.831  2.9488  78.640  2.9013  -0.8082733     4.136752 
1 1 1 -12 -14 3  o 95.941  2.3166  1235.12   59.530    1245.42   84.463    1224.96   83.915    96.338  3.2732  95.544  3.2791  0.7946777      4.633170 
1 1 1 -12 -14 4  o 94.877  2.2718  1207.81   57.720    1239.97   81.879    1176.04   81.381    96.135  3.1798  93.620  3.2454  2.514809       4.543555 
1 1 1 -12 -14 5  o 194.102 3.8631  5073.23   200.780   5227.68   284.364   4919.68   283.528   197.063 5.3874  191.142 5.5380  5.921021       7.726154 
1 1 1 -12 -14 6  o 115.011 2.5506  1775.76   78.558    1816.04   111.116   1735.52   111.080   116.318 3.5665  113.704 3.6473  2.613846       5.101247 
1 1 1 -12 -14 7  o 156.520 3.1671  3292.67   132.771   3323.61   187.560   3261.59   187.974   157.261 4.4528  155.780 4.5050  1.480652       6.334235 
1 1 1 -12 -14 8  o 41.642  1.8871  233.352   20.850    206.503   28.992    262.115   30.007    39.142  2.7834  44.141  2.5488  -4.999104      3.774111 
1 1 1 -12 -14 9  o 189.316 3.6906  4824.51   187.062   4978.55   264.219   4669.70   264.873   192.362 5.1281  186.269 5.3089  6.093063       7.381201 
1 1 1 -12 -14 10 o 64.324  1.8995  554.314   32.712    536.769   45.444    573.183   47.126    63.269  2.6816  65.379  2.6911  -2.110554      3.799087 
1 1 1 -12 -14 11 o 186.503 3.6327  4680.17   181.467   4668.34   256.101   4692.10   257.167   186.267 5.1332  186.739 5.1415  -0.4719849     7.265310 
1 1 1 -12 -14 12 o 136.667 2.8605  2508.79   104.707   2512.37   147.535   2505.15   148.629   136.766 4.0274  136.566 4.0632  0.2000885      5.720991 
1 1 1 -12 -14 13 o 114.584 2.4922  1762.73   76.472    1795.81   107.783   1729.20   108.518   115.670 3.4789  113.498 3.5696  2.171806       4.984451 
1 1 1 -12 -14 14 o 48.097  1.8118  311.268   23.240    322.219   32.721    300.120   33.015    48.958  2.5036  47.236  2.6197  1.722076       3.623638 
1 1 1 -12 -14 15 o 100.802 2.3091  1363.81   62.317    1415.09   88.348    1313.03   87.912    102.692 3.2120  98.912  3.3183  3.779388       4.618192 
1 1 1 -12 -14 16 o 244.070 4.6522  8046.15   304.126   7997.66   430.287   8094.55   429.911   243.328 6.6020  244.812 6.5563  -1.483994      9.304383 
1 1 1 -12 -14 17 o 42.739  1.8517  246.082   21.059    242.267   30.547    249.538   29.073    42.415  2.7029  43.063  2.5317  -0.6485062     3.703395 
1 1 1 -12 -14 18 o 52.906  1.8705  375.729   26.446    380.861   38.157    370.985   36.688    53.219  2.6855  52.593  2.6044  0.6254387      3.740924 
1 1 1 -12 -14 19 o 157.394 3.2228  3333.49   135.863   3366.22   192.963   3301.31   191.325   158.161 4.5550  156.628 4.5605  1.533234       6.445616 
1 1 1 -12 -14 20 o 215.125 4.1954  6253.08   241.727   6192.88   342.646   6312.72   341.067   214.080 5.9756  216.169 5.8906  -2.088593      8.390847 
1 1 1 -12 -14 21 o 190.189 3.7480  4881.92   190.900   5001.43   271.001   4764.21   268.958   192.512 5.2556  187.867 5.3450  4.645325       7.496014 
1 1 1 -12 -14 22 o 59.587  1.9835  478.695   31.495    454.387   45.673    500.733   43.488    58.095  2.9448  61.079  2.6582  -2.983871      3.967069 
1 1 1 -12 -14 23 o 41.892  2.0160  237.063   22.424    232.680   32.764    240.925   30.756    41.513  2.9662  42.271  2.7310  -0.7583466     4.031950 
1 1 1 -12 -14 24 o 48.714  1.9997  319.548   25.951    326.772   37.758    313.079   35.728    49.231  2.8759  48.196  2.7794  1.035255       3.999454 
1 1 1 -12 -14 25 o 61.607  2.0624  510.219   34.005    512.070   49.145    508.519   47.099    61.710  2.9733  61.505  2.8590  0.2049484      4.124876 
1 1 1 -12 -14 26 o 138.158 3.0153  2581.52   111.566   2543.85   158.256   2618.75   157.306   137.142 4.3082  139.174 4.2198  -2.032181      6.030587 
1 1 1 -12 -14 27 o 57.789  2.0453  450.517   31.569    440.788   45.347    459.666   43.975    57.136  2.9734  58.441  2.8093  -1.305576      4.090589 
1 1 1 -12 -14 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -14 29 o 58.996  2.0575  469.502   32.506    471.656   46.473    467.440   45.484    59.124  2.9346  58.867  2.8847  0.2575111      4.114977 
1 1 1 -12 -14 30 o 31.946  2.2435  139.696   18.884    129.257   26.867    149.886   26.546    30.724  3.3175  33.168  3.0212  -2.444412      4.487033 
1 1 1 -12 -14 31 o 28.548  2.4358  112.166   18.243    111.704   25.481    112.652   26.130    28.495  3.4060  28.600  3.4829  -0.1050777     4.871508 
1 1 1 -12 -14 32 o 45.890  2.1552  287.072   26.272    263.959   37.110    310.298   37.200    43.998  3.1702  47.783  2.9206  -3.785011      4.310492 
1 1 1 -12 -14 33 f 55.822  2.1619  424.159   32.198    416.899   45.312    431.565   45.762    55.335  3.0692  56.310  3.0454  -0.9748230     4.323740 
1 1 1 -12 -14 34 o 17.216  3.2277  42.618    15.472    53.993    21.602    30.637    22.171    19.435  4.2667  14.997  4.8444  4.438473       6.455495 
1 1 1 -12 -14 35 o 56.120  2.2756  432.762   33.912    469.137   47.433    394.724   48.504    58.617  3.0315  53.622  3.3946  4.994736       4.551195 
1 1 1 -12 -14 36 o 38.410  2.4220  204.368   24.598    213.928   34.297    194.241   35.300    39.393  3.2803  37.427  3.5643  1.966114       4.844083 
1 1 1 -12 -14 37 o 27.525  2.8163  107.373   20.095    107.849   27.417    106.821   29.538    27.657  3.8016  27.393  4.1563  0.2642307      5.632654 
1 1 1 -12 -14 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -14 39 o 32.302  2.8726  152.014   23.637    181.102   32.777    120.494   34.119    35.906  3.4506  28.699  4.5935  7.207016       5.745127 
1 1 1 -12 -14 40 o 14.198  3.6911  26.036    18.276    23.897    24.101    28.929    28.034    13.641  5.0180  14.756  5.4144  -1.115043      7.382162 
1 1 1 -12 -14 41 o 21.319  2.9818  63.497    15.922    86.566    27.064    51.286    19.690    24.091  4.3545  18.547  4.0748  5.544081       5.963680 
1 1 1 -12 -14 42 o 9.3332  2.5654  4.2613    11.130    -26.4493  19.767    18.517    13.467    7.2077  3.4692  11.459  3.7801  -4.250953      5.130805 
1 1 1 -12 -14 43 o 11.609  3.1828  14.280    13.213    21.442    23.972    11.155    15.835    12.963  4.9539  10.255  3.9975  2.708395       6.365670 
1 1 1 -12 -14 44 o 27.643  2.8501  110.711   19.479    126.455   33.859    102.922   23.815    28.694  4.5579  26.591  3.4232  2.102873       5.700219 
1 1 1 -12 -14 45 o 22.081  3.4512  82.571    19.065    64.491    33.212    91.456    23.282    19.321  5.8866  24.842  3.6043  -5.520578      6.902407 
1 1 1 -12 -14 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -14 47 f 18.508  3.6652  56.448    17.847    72.718    32.069    49.149    21.481    19.867  5.7180  17.149  4.5870  2.717686       7.330491 
1 1 1 -12 -13 1  o 176.384 3.5282  4186.91   166.591   4032.38   236.044   4340.27   235.150   173.124 5.0903  179.644 4.8870  -6.520111      7.056497 
1 1 1 -12 -13 2  o 142.797 3.5226  2696.30   127.999   2599.63   156.757   2889.70   221.729   139.110 4.2071  146.485 5.6512  -7.374954      7.045246 
1 1 1 -12 -13 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 13 o 67.251  1.9012  606.429   34.242    594.414   48.239    618.632   48.616    66.579  2.7050  67.923  2.6722  -1.343796      3.802354 
1 1 1 -12 -13 14 o 118.323 2.5482  1879.61   80.736    1936.29   114.297   1823.16   114.059   120.108 3.5528  116.539 3.6540  3.569244       5.096497 
1 1 1 -12 -13 15 f 93.478  2.2194  1172.38   55.565    1166.25   78.950    1178.40   78.216    93.235  3.1615  93.721  3.1158  -0.4869003     4.438802 
1 1 1 -12 -13 16 o 199.874 3.8974  5380.01   208.652   5404.40   295.555   5355.77   294.605   200.327 5.5082  199.422 5.5154  0.9048615      7.794879 
1 1 1 -12 -13 17 o 111.940 2.4926  1682.09   74.730    1681.09   106.278   1683.07   105.101   111.905 3.5457  111.974 3.5043  -0.6905365E-01 4.985198 
1 1 1 -12 -13 18 o 23.934  2.2987  78.346    14.309    77.394    20.994    79.171    19.553    23.774  3.3931  24.093  3.1020  -0.3188801     4.597342 
1 1 1 -12 -13 19 o 75.325  2.0799  763.496   41.837    716.868   60.251    806.910   58.138    73.091  3.0776  77.559  2.7986  -4.467682      4.159751 
1 1 1 -12 -13 20 o 191.085 3.7951  4920.99   194.225   5012.65   275.737   4830.73   273.626   192.857 5.3379  189.312 5.3962  3.544891       7.590270 
1 1 1 -12 -13 21 o 156.720 3.2245  3306.30   135.335   3267.72   192.256   3344.19   190.540   155.806 4.6069  157.635 4.5128  -1.828705      6.448919 
1 1 1 -12 -13 22 o 47.373  1.9534  302.739   24.602    294.115   35.914    310.364   33.770    46.722  2.8839  48.023  2.6354  -1.301010      3.906715 
1 1 1 -12 -13 23 o 179.075 3.6693  4331.21   175.930   4203.75   249.267   4457.73   248.342   176.425 5.2749  181.726 5.1021  -5.300507      7.338644 
1 1 1 -12 -13 24 o 101.584 2.4559  1387.74   66.818    1394.55   95.115    1381.11   93.886    101.828 3.4873  101.340 3.4588  0.4883423      4.911731 
1 1 1 -12 -13 25 o 77.011  2.1644  796.988   44.633    807.146   64.076    787.415   62.205    77.485  3.0874  76.537  3.0344  0.9479828      4.328882 
1 1 1 -12 -13 26 o 35.127  2.1946  167.111   20.396    181.276   29.324    153.837   28.386    36.590  3.0190  33.664  3.1860  2.925880       4.389197 
1 1 1 -12 -13 27 o 101.440 2.4660  1387.28   67.003    1386.40   94.943    1388.15   94.570    101.406 3.4955  101.473 3.4795  -0.6694031E-01 4.932083 
1 1 1 -12 -13 28 o 60.602  2.1061  495.475   34.111    478.842   48.275    512.062   48.207    59.541  3.0371  61.664  2.9187  -2.123417      4.212227 
1 1 1 -12 -13 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 30 o 53.212  2.0880  383.776   29.568    416.221   41.996    351.881   41.638    55.473  2.8359  50.950  3.0654  4.523293       4.175967 
1 1 1 -12 -13 31 o 49.491  2.1018  332.745   27.680    354.080   39.041    311.177   39.252    51.117  2.8630  47.865  3.0780  3.251972       4.203662 
1 1 1 -12 -13 32 f 52.556  2.1608  375.472   30.278    383.347   42.683    367.496   42.956    53.123  3.0121  51.988  3.0989  1.134983       4.321563 
1 1 1 -12 -13 33 o 104.281 2.6111  1483.69   72.925    1474.98   102.359   1492.66   103.922   103.980 3.6753  104.583 3.7098  -0.6031342     5.222121 
1 1 1 -12 -13 34 o 35.037  2.3498  168.052   21.750    157.863   29.767    179.721   31.857    33.892  3.3218  36.181  3.3244  -2.289272      4.699596 
1 1 1 -12 -13 35 o 13.268  2.9453  19.524    14.128    42.870    19.300    -7.4280   20.737    17.292  4.2071  9.2433  4.1232  8.049017       5.890691 
1 1 1 -12 -13 36 o 63.455  2.3234  553.793   39.226    599.703   54.813    505.600   56.159    66.287  3.0872  60.622  3.4731  5.664776       4.646852 
1 1 1 -12 -13 37 o 49.916  2.3575  344.215   31.259    351.429   43.018    336.145   45.499    50.533  3.1947  49.299  3.4677  1.233055       4.715030 
1 1 1 -12 -13 38 o 49.625  2.4207  341.963   31.924    343.419   43.970    340.341   46.424    49.791  3.3160  49.459  3.5275  0.3317337      4.841390 
1 1 1 -12 -13 39 o 16.494  3.2525  38.677    14.433    46.331    24.285    34.498    17.946    17.631  4.9431  15.357  4.2286  2.273263       6.505075 
1 1 1 -12 -13 40 o 17.812  3.0769  45.690    13.898    52.067    24.286    42.584    16.947    18.563  4.8361  17.061  3.8053  1.501335       6.153732 
1 1 1 -12 -13 41 o 35.666  2.3687  179.117   21.826    185.802   35.050    174.883   27.894    36.006  3.6862  35.327  2.9756  0.6793747      4.737352 
1 1 1 -12 -13 42 o 32.189  2.5567  148.741   20.745    152.506   34.623    146.633   25.911    32.174  4.1117  32.204  3.0399  -0.3002167E-01 5.113429 
1 1 1 -12 -13 43 o 27.753  2.7003  106.861   18.844    139.151   32.341    90.265    23.186    30.643  4.0388  24.863  3.5853  5.779692       5.400629 
1 1 1 -12 -13 44 o 11.017  3.1792  7.3381    13.719    22.561    25.577    1.1892    16.255    13.227  5.1015  8.8071  3.7953  4.420136       6.358420 
1 1 1 -12 -13 45 o 16.247  3.5357  43.263    16.549    35.850    30.224    46.437    19.777    15.236  5.6172  17.257  4.2956  -2.020278      7.071465 
1 1 1 -12 -13 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -13 47 o 21.503  3.3993  69.773    18.022    102.887   32.919    55.601    21.535    24.554  5.1688  18.451  4.4164  6.102983       6.798573 
1 1 1 -12 -12 1  o 249.422 4.7541  8400.23   317.372   8035.92   449.136   8763.56   448.529   243.975 6.8730  254.869 6.5703  -10.89415      9.508224 
1 1 1 -12 -12 2  o 89.143  2.1729  1065.99   51.880    1057.69   73.550    1074.20   73.191    88.797  3.0924  89.490  3.0535  -0.6923828     4.345883 
1 1 1 -12 -12 3  o 141.699 2.9492  2697.17   111.890   2793.83   158.663   2601.54   157.813   144.232 4.1070  139.167 4.2337  5.064362       5.898430 
1 1 1 -12 -12 4  o 137.561 2.8869  2541.54   106.338   2617.92   150.624   2465.64   150.148   139.626 4.0275  135.495 4.1372  4.131744       5.773851 
1 1 1 -12 -12 5  o 262.619 4.9806  9312.39   350.299   9490.48   495.624   9134.63   495.171   265.148 6.9787  260.091 7.1079  5.056854       9.961155 
1 1 1 -12 -12 6  o 128.671 2.7113  2223.15   93.418    2279.33   131.896   2166.60   132.331   130.307 3.7790  127.035 3.8891  3.272041       5.422695 
1 1 1 -12 -12 7  o 162.961 3.2610  3570.68   142.241   3714.41   200.865   3426.10   201.454   166.264 4.5104  159.657 4.7108  6.606873       6.521954 
1 1 1 -12 -12 8  o 199.694 3.8837  5366.98   207.723   5406.14   293.270   5327.57   294.262   200.430 5.4628  198.958 5.5218  1.472198       7.767432 
1 1 1 -12 -12 9  o 153.586 3.0810  3168.91   126.712   3074.55   178.576   3264.61   179.828   151.277 4.4072  155.894 4.3066  -4.616852      6.161999 
1 1 1 -12 -12 10 o 142.314 2.9277  2720.12   111.594   2731.02   157.318   2709.08   158.324   142.603 4.1187  142.025 4.1619  0.5780640      5.855356 
1 1 1 -12 -12 11 o 147.149 2.9863  2908.43   117.683   2838.39   165.941   2979.29   166.921   145.363 4.2620  148.935 4.1843  -3.572433      5.972681 
1 1 1 -12 -12 12 o 151.853 3.0877  3098.56   125.563   3165.09   177.380   3031.75   177.765   153.492 4.3145  150.213 4.4182  3.279373       6.175411 
1 1 1 -12 -12 13 o 110.284 2.9819  1643.07   82.673    1606.57   143.594   1661.17   101.113   109.304 4.9047  111.264 3.3929  -1.959908      5.963857 
1 1 1 -12 -12 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -12 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -12 16 o 125.648 2.6909  2119.73   90.556    2124.48   128.749   2115.08   127.393   125.786 3.8214  125.511 3.7894  0.2757645      5.381725 
1 1 1 -12 -12 17 o 64.552  1.9086  557.979   32.908    618.576   47.499    502.045   45.635    67.920  2.6110  61.184  2.7846  6.736351       3.817235 
1 1 1 -12 -12 18 o 113.407 2.5168  1725.82   76.434    1771.54   109.237   1681.97   106.985   114.878 3.5501  111.935 3.5684  2.943176       5.033540 
1 1 1 -12 -12 19 o 114.778 2.5962  1771.25   79.708    1686.74   113.674   1853.00   111.797   112.072 3.7868  117.484 3.5527  -5.412987      5.192493 
1 1 1 -12 -12 20 o 148.856 3.0777  2978.67   122.707   3010.52   174.526   2947.52   172.559   149.643 4.3543  148.070 4.3509  1.573639       6.155494 
1 1 1 -12 -12 21 o 83.228  2.1696  929.873   48.339    919.816   69.306    939.400   67.456    82.787  3.1255  83.670  3.0100  -0.8831024     4.339230 
1 1 1 -12 -12 22 o 178.331 3.6299  4286.56   173.347   4197.85   245.630   4374.58   244.673   176.479 5.1964  180.183 5.0697  -3.704453      7.259762 
1 1 1 -12 -12 23 f 95.930  2.3917  1236.29   61.441    1230.72   87.650    1241.67   86.150    95.714  3.4189  96.145  3.3453  -0.4313126     4.783308 
1 1 1 -12 -12 24 o 82.363  2.2101  911.273   48.751    907.251   69.386    915.195   68.511    82.182  3.1521  82.545  3.0987  -0.3631821     4.420158 
1 1 1 -12 -12 25 o 12.849  3.0986  20.023    12.979    14.096    18.323    25.991    18.386    11.722  4.3634  13.976  4.4008  -2.253972      6.197258 
1 1 1 -12 -12 26 o 153.796 3.2501  3195.67   133.868   3256.85   189.458   3134.65   189.178   155.278 4.5553  152.314 4.6371  2.964493       6.500205 
1 1 1 -12 -12 27 o 176.285 3.6294  4215.50   171.369   4241.95   242.172   4188.97   242.533   176.848 5.1125  175.723 5.1529  1.125427       7.258822 
1 1 1 -12 -12 28 o 43.229  2.0574  252.657   23.680    250.034   33.664    255.227   33.315    43.002  2.9404  43.457  2.8785  -0.4547882     4.114818 
1 1 1 -12 -12 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -12 30 o 72.382  2.2186  709.179   42.879    768.810   60.392    648.562   60.890    75.486  2.9869  69.278  3.2814  6.207245       4.437260 
1 1 1 -12 -12 31 o 8.7331  2.4957  -3.5108   10.647    14.575    14.715    -23.3835  15.425    11.110  3.9427  6.3566  3.0608  4.753022       4.991313 
1 1 1 -12 -12 32 o 56.312  2.1573  430.742   32.386    437.925   45.083    423.082   46.554    56.818  2.9727  55.806  3.1271  1.011887       4.314569 
1 1 1 -12 -12 33 o 73.825  2.2648  739.748   44.776    737.651   62.664    741.935   64.003    73.727  3.1732  73.923  3.2324  -0.1955643     4.529683 
1 1 1 -12 -12 34 o 15.342  3.2493  32.139    14.561    24.308    19.738    41.487    21.566    13.636  4.5787  17.047  4.6115  -3.411227      6.498502 
1 1 1 -12 -12 35 o 64.137  2.2747  560.937   38.975    557.373   53.946    564.829   56.372    63.986  3.1476  64.287  3.2847  -0.3011360     4.549387 
1 1 1 -12 -12 36 o 81.322  2.4417  906.960   53.113    935.467   74.035    876.730   76.239    82.698  3.3424  79.947  3.5603  2.750839       4.883348 
1 1 1 -12 -12 37 o 46.725  2.0824  293.809   25.628    334.403   40.149    265.894   33.294    49.371  3.0510  44.078  2.8350  5.293015       4.164870 
1 1 1 -12 -12 38 o 38.024  2.2068  199.581   21.751    200.848   34.682    198.760   27.925    37.997  3.4453  38.052  2.7586  -0.5504608E-01 4.413594 
1 1 1 -12 -12 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -12 40 o 19.292  3.0924  60.429    15.432    36.334    26.243    73.166    19.080    15.838  5.2793  22.745  3.2220  -6.906427      6.184874 
1 1 1 -12 -12 41 o 17.641  3.1529  49.349    14.754    36.013    25.456    56.095    18.104    15.613  5.1993  19.669  3.5678  -4.056164      6.305707 
1 1 1 -12 -12 42 o 33.990  2.5806  170.249   21.826    152.679   35.880    180.571   27.500    32.109  4.2784  35.870  2.8867  -3.760708      5.161160 
1 1 1 -12 -12 43 o 13.621  3.2639  27.803    14.294    16.315    25.710    32.943    17.197    12.502  5.0229  14.739  4.1694  -2.236327      6.527879 
1 1 1 -12 -12 44 o 20.013  3.4010  58.795    17.231    79.843    30.230    48.666    20.971    22.319  5.1599  17.707  4.4322  4.612617       6.802066 
1 1 1 -12 -12 45 o 33.192  2.7029  155.658   22.722    193.355   38.982    136.259   27.963    35.848  4.1358  30.536  3.4811  5.311789       5.405809 
1 1 1 -12 -12 46 o 25.525  6.8157  122.595   47.475    0.0000    0.0000    122.595   47.475    ?       ?       25.525  6.8157  ?              ?        
1 1 1 -12 -12 47 o 11.110  3.2807  12.288    15.269    8.6939    28.939    13.675    17.975    11.520  5.0139  10.699  4.2322  0.8209362      6.561351 
1 1 1 -12 -11 1  o 56.378  1.8252  426.393   27.536    404.918   38.933    447.886   38.950    54.955  2.6450  57.800  2.5159  -2.845402      3.650436 
1 1 1 -12 -11 2  o 109.066 2.4368  1596.40   71.174    1566.94   100.918   1625.55   100.396   108.062 3.4866  110.070 3.4053  -2.007263      4.873670 
1 1 1 -12 -11 3  f 168.467 3.3779  3814.59   152.422   3818.67   215.885   3810.54   215.232   168.557 4.7818  168.378 4.7723  0.1781921      6.755770 
1 1 1 -12 -11 4  o 289.566 5.3866  11330.60  417.781   11391.43  591.130   11269.89  590.532   290.348 7.6011  288.784 7.6345  1.564484       10.77322 
1 1 1 -12 -11 5  o 42.935  1.7539  247.708   19.988    216.706   27.719    281.285   28.848    40.122  2.5933  45.749  2.3623  -5.627052      3.507890 
1 1 1 -12 -11 6  o 217.053 4.1483  6342.54   241.171   6307.42   340.721   6377.79   341.414   216.449 5.8770  217.657 5.8563  -1.208084      8.296685 
1 1 1 -12 -11 7  o 98.740  2.2847  1307.56   60.418    1281.74   84.871    1334.09   86.029    97.751  3.2415  99.729  3.2206  -1.977280      4.569411 
1 1 1 -12 -11 8  o 177.186 3.4993  4220.44   166.063   4255.55   234.333   4185.02   235.369   177.930 4.9169  176.441 4.9803  1.489059       6.998577 
1 1 1 -12 -11 9  o 184.854 3.6108  4595.18   178.713   4435.27   252.083   4756.78   253.400   181.609 5.1822  188.099 5.0296  -6.489578      7.221632 
1 1 1 -12 -11 10 o 344.278 6.4713  16082.36  596.582   16510.79  843.597   15653.75  843.790   348.925 9.0264  339.630 9.2755  9.294983       12.94261 
1 1 1 -12 -11 11 o 160.163 3.2242  3446.72   138.314   3462.96   195.327   3430.39   195.885   160.543 4.5424  159.783 4.5770  0.7606354      6.448414 
1 1 1 -12 -11 12 o 148.036 3.0070  2943.66   119.212   3006.39   168.630   2880.98   168.553   149.617 4.2079  146.454 4.2968  3.162842       6.014053 
1 1 1 -12 -11 13 o 95.111  2.2076  1213.41   56.238    1213.05   79.867    1213.77   79.202    95.096  3.1356  95.126  3.1085  -0.2954102E-01 4.415271 
1 1 1 -12 -11 14 o 170.401 3.3985  3903.56   155.111   3914.83   219.876   3892.39   218.848   170.645 4.8106  170.156 4.8018  0.4885864      6.796962 
1 1 1 -12 -11 15 o 58.175  1.8067  453.882   28.133    449.684   40.437    457.820   39.165    57.913  2.6069  58.437  2.5022  -0.5241814     3.613425 
1 1 1 -12 -11 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -11 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -11 18 o 86.949  2.2085  1015.99   51.345    971.357   73.696    1058.09   71.576    85.084  3.2337  88.813  3.0089  -3.728455      4.417043 
1 1 1 -12 -11 19 o 24.819  2.4909  84.900    15.175    126.072   22.569    50.926    20.501    30.533  2.7905  19.105  4.1270  11.42798       4.981822 
1 1 1 -12 -11 20 o 187.292 3.7707  4724.68   189.105   4611.43   268.093   4836.82   266.783   185.043 5.4091  189.541 5.2549  -4.498001      7.541363 
1 1 1 -12 -11 21 o 118.049 2.6548  1871.47   83.937    1886.25   119.563   1857.10   117.864   118.508 3.7667  117.591 3.7421  0.9168167      5.309571 
1 1 1 -12 -11 22 o 154.504 3.1956  3211.07   132.233   3275.93   187.710   3147.18   186.310   156.057 4.4907  152.951 4.5477  3.105820       6.391272 
1 1 1 -12 -11 23 o 44.125  2.0184  263.328   23.635    244.513   34.045    280.831   32.836    42.577  3.0046  45.673  2.6961  -3.095871      4.036894 
1 1 1 -12 -11 24 o 36.051  2.1316  176.029   20.352    167.169   29.158    184.447   28.421    35.145  3.1302  36.957  2.8943  -1.811279      4.263224 
1 1 1 -12 -11 25 o 103.168 2.4833  1431.03   68.622    1432.64   97.121    1429.43   96.972    103.226 3.5127  103.110 3.5112  0.1156845      4.966637 
1 1 1 -12 -11 26 o 164.362 3.4570  3650.30   152.190   3635.05   214.850   3665.65   215.610   164.017 4.8905  164.707 4.8873  -0.6897736     6.913965 
1 1 1 -12 -11 27 o 76.290  2.2197  782.799   45.356    771.759   63.891    794.015   64.397    75.746  3.1491  76.833  3.1291  -1.086540      4.439431 
1 1 1 -12 -11 28 o 69.057  2.1463  642.092   39.677    663.679   55.922    620.209   56.303    70.233  2.9727  67.881  3.0967  2.352379       4.292611 
1 1 1 -12 -11 29 o 21.923  2.5774  66.938    14.523    75.382    20.441    58.331    20.637    23.408  3.3562  20.437  3.9124  2.970955       5.154711 
1 1 1 -12 -11 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -11 31 o 29.389  2.4170  120.643   18.225    141.079   25.088    97.806    26.521    32.197  2.9416  26.582  3.8360  5.615116       4.834025 
1 1 1 -12 -11 32 o 14.641  2.8535  29.335    13.506    50.212    18.035    2.6775    20.380    18.909  3.6935  10.373  4.3505  8.535654       5.706905 
1 1 1 -12 -11 33 o 113.689 2.7747  1764.81   84.470    1768.12   118.100   1761.33   120.864   113.826 3.8737  113.552 3.9739  0.2740631      5.549483 
1 1 1 -12 -11 34 o 36.883  2.2655  186.577   22.102    195.385   30.760    177.174   31.780    37.825  3.0624  35.940  3.3394  1.884441       4.531002 
1 1 1 -12 -11 35 o 22.231  2.5971  68.134    14.590    74.590    23.660    64.172    18.533    23.003  3.9845  21.460  3.3322  1.542833       5.194224 
1 1 1 -12 -11 36 o 60.531  2.1777  508.388   34.532    442.861   51.894    560.463   46.262    56.797  3.4272  64.265  2.6876  -7.467968      4.355331 
1 1 1 -12 -11 37 f 38.551  2.1324  196.570   21.423    254.509   34.219    159.225   27.472    43.087  2.9834  34.015  3.0476  9.071609       4.264811 
1 1 1 -12 -11 38 o 28.034  2.4249  108.118   17.370    117.386   28.337    102.539   21.985    28.880  3.7519  27.187  3.0731  1.693869       4.849775 
1 1 1 -12 -11 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -11 40 o 10.601  3.0084  9.4204    12.801    0.6586    22.696    13.508    15.502    10.388  4.4805  10.814  4.0158  -0.4265528     6.016791 
1 1 1 -12 -11 41 o 12.483  3.1603  20.597    13.084    15.685    23.017    22.941    15.903    12.258  4.8081  12.708  4.1027  -0.4500990     6.320607 
1 1 1 -12 -11 42 o 28.330  2.6573  115.758   18.919    119.303   31.315    113.721   23.741    28.375  4.2511  28.284  3.1895  0.9099960E-01  5.314554 
1 1 1 -12 -11 43 o 15.079  3.3573  35.218    14.876    29.087    26.302    38.103    18.039    14.335  5.2468  15.823  4.1900  -1.488002      6.714519 
1 1 1 -12 -11 44 o 17.344  3.3897  48.796    16.205    39.619    27.396    53.735    20.097    15.891  5.3940  18.797  4.1066  -2.906093      6.779301 
1 1 1 -12 -11 45 o 9.4610  2.9787  -2.4410   14.406    -0.7065   24.972    -3.3061   17.636    10.357  4.5774  8.5653  3.8129  1.791592       5.957404 
1 1 1 -12 -11 46 o 17.864  4.4019  50.630    20.926    0.0000    0.0000    50.630    20.926    ?       ?       17.864  4.4019  ?              ?        
1 1 1 -12 -11 47 o 40.925  2.6113  244.427   27.336    288.541   46.252    220.745   33.888    43.221  4.0422  38.630  3.3071  4.590179       5.222676 
1 1 1 -12 -10 1  o 163.458 3.3056  3594.77   144.465   3352.69   204.548   3835.71   204.062   157.941 4.8351  168.975 4.5087  -11.03384      6.611117 
1 1 1 -12 -10 2  o 89.167  2.1658  1066.27   51.723    1084.04   73.336    1048.68   72.958    89.907  3.0453  88.427  3.0803  1.480003       4.331590 
1 1 1 -12 -10 3  o 66.936  1.8934  600.821   33.934    619.427   47.981    582.203   47.999    67.975  2.6353  65.898  2.7194  2.076286       3.786810 
1 1 1 -12 -10 4  o 85.529  2.1165  980.924   48.486    980.084   68.409    981.770   68.731    85.492  2.9874  85.565  2.9989  -0.7307434E-01 4.232983 
1 1 1 -12 -10 5  o 187.921 3.6791  4749.57   185.063   4945.32   261.680   4553.71   261.758   191.812 5.0934  184.031 5.3103  7.780289       7.358112 
1 1 1 -12 -10 6  o 256.241 4.8395  8852.32   332.087   9049.82   469.386   8654.39   469.898   259.123 6.7629  253.360 6.9243  5.763229       9.679023 
1 1 1 -12 -10 7  o 215.480 4.1407  6248.06   238.984   6247.67   337.439   6248.44   338.513   215.475 5.8467  215.484 5.8650  -0.1000977E-01 8.281451 
1 1 1 -12 -10 8  o 240.563 4.5722  7795.64   294.605   7757.23   416.090   7834.26   417.181   239.968 6.4736  241.159 6.4585  -1.191650      9.144382 
1 1 1 -12 -10 9  o 90.740  2.1136  1105.14   51.320    1150.00   72.121    1059.13   73.044    92.610  2.9074  88.870  3.0686  3.740288       4.227221 
1 1 1 -12 -10 10 o 191.854 3.7653  4949.67   193.467   4855.74   273.155   5044.21   274.056   190.021 5.3668  193.687 5.2826  -3.665192      7.530533 
1 1 1 -12 -10 11 o 131.123 2.7348  2307.62   96.049    2303.15   135.791   2312.09   135.875   130.996 3.8701  131.250 3.8650  -0.2542725     5.469587 
1 1 1 -12 -10 12 o 101.218 2.2810  1374.26   61.837    1366.29   87.738    1382.12   87.167    100.925 3.2456  101.510 3.2059  -0.5848007     4.562027 
1 1 1 -12 -10 13 o 229.919 4.4080  7121.98   271.445   7226.96   384.481   7017.65   383.284   231.617 6.1975  228.222 6.2701  3.394547       8.816062 
1 1 1 -12 -10 14 o 48.688  1.7296  318.740   22.470    306.427   32.347    330.222   31.238    47.742  2.5387  49.635  2.3497  -1.892563      3.459182 
1 1 1 -12 -10 15 o 106.969 2.4338  1536.92   69.659    1477.28   99.365    1594.56   97.683    104.920 3.5358  109.017 3.3453  -4.097046      4.867511 
1 1 1 -12 -10 16 o 211.340 4.0857  6015.10   231.277   6036.17   328.132   5994.31   326.028   211.706 5.7866  210.974 5.7695  0.7318878      8.171412 
1 1 1 -12 -10 17 o 161.193 3.2549  3492.09   140.517   3564.05   199.841   3421.71   197.620   162.838 4.5818  159.548 4.6244  3.290222       6.509831 
1 1 1 -12 -10 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -10 19 o 99.503  2.3530  1328.48   62.701    1336.07   89.608    1321.21   87.766    99.780  3.3528  99.226  3.3023  0.5535812      4.706008 
1 1 1 -12 -10 20 o 180.271 3.6121  4373.89   174.390   4307.58   247.200   4439.60   246.053   178.902 5.1587  181.640 5.0574  -2.738266      7.224269 
1 1 1 -12 -10 21 o 96.818  2.3318  1257.81   60.459    1290.42   86.038    1226.00   84.976    98.059  3.2758  95.577  3.3194  2.481880       4.663568 
1 1 1 -12 -10 22 o 133.240 2.8795  2385.72   102.743   2447.19   145.675   2324.88   144.928   134.952 4.0301  131.527 4.1138  3.424881       5.758938 
1 1 1 -12 -10 23 o 33.677  2.1319  153.599   18.997    149.152   27.358    157.740   26.400    33.191  3.1137  34.163  2.9129  -0.9723892     4.263820 
1 1 1 -12 -10 24 o 171.506 3.5266  3963.83   162.003   3964.64   228.808   3963.03   229.407   171.525 4.9803  171.487 4.9944  0.3781128E-01  7.053188 
1 1 1 -12 -10 25 o 105.923 2.5316  1508.37   71.812    1533.77   101.308   1482.71   101.808   106.823 3.5407  105.022 3.6192  1.801643       5.063116 
1 1 1 -12 -10 26 o 63.974  2.1021  551.626   35.850    597.159   50.563    505.599   50.836    66.684  2.8309  61.264  3.1082  5.420029       4.204154 
1 1 1 -12 -10 27 o 50.187  2.0646  339.754   27.605    321.472   38.922    358.256   39.157    48.815  2.9913  51.559  2.8464  -2.743908      4.129178 
1 1 1 -12 -10 28 o 33.037  2.2735  149.003   19.744    162.718   27.550    134.519   28.311    34.654  2.9977  31.421  3.4190  3.232063       4.547092 
1 1 1 -12 -10 29 o 10.383  2.8034  9.0528    11.223    15.921    15.413    1.3009    16.374    11.534  4.0403  9.2327  3.8873  2.301544       5.606720 
1 1 1 -12 -10 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -10 31 o 13.185  2.9594  23.285    11.812    26.451    16.147    19.641    17.324    13.841  4.0788  12.529  4.2891  1.311780       5.918892 
1 1 1 -12 -10 32 o 75.150  2.2788  764.858   45.837    775.126   63.924    753.991   65.763    75.686  3.1532  74.613  3.2906  1.073067       4.557545 
1 1 1 -12 -10 33 o 35.250  2.3517  173.572   21.401    202.853   29.319    140.176   31.311    38.625  2.8542  31.875  3.7383  6.749723       4.703325 
1 1 1 -12 -10 34 f 71.833  2.1056  693.349   40.318    791.795   60.140    612.987   54.337    76.435  2.9375  67.231  3.0174  9.203979       4.211172 
1 1 1 -12 -10 35 o 17.978  2.6134  41.845    12.252    74.684    19.990    22.090    15.505    23.196  3.3116  12.760  4.0438  10.43513       5.226747 
1 1 1 -12 -10 36 o 13.889  2.8060  28.716    11.960    8.3296    20.240    39.653    14.824    11.035  4.4485  16.742  3.4214  -5.706757      5.612027 
1 1 1 -12 -10 37 o 24.416  2.8670  95.778    16.269    53.064    26.609    121.279   20.560    19.059  5.1085  29.774  2.6043  -10.71574      5.734024 
1 1 1 -12 -10 38 o 33.071  2.2588  147.641   19.471    174.661   30.930    129.904   25.060    35.503  3.2899  30.640  3.0960  4.863403       4.517640 
1 1 1 -12 -10 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -10 40 o 17.809  3.2379  45.880    14.995    52.255    25.433    42.483    18.565    18.624  4.9953  16.995  4.1210  1.629738       6.475799 
1 1 1 -12 -10 41 o 25.390  2.8159  95.430    17.733    86.681    28.734    100.812   22.536    24.078  4.6236  26.702  3.2156  -2.624100      5.631841 
1 1 1 -12 -10 42 o 19.592  3.1440  55.020    15.933    77.236    25.944    41.566    20.189    22.649  4.4353  16.536  4.4571  6.112890       6.287944 
1 1 1 -12 -10 43 o 16.054  3.4774  38.410    15.752    46.394    26.906    34.247    19.430    17.116  5.3129  14.991  4.4880  2.125110       6.954788 
1 1 1 -12 -10 44 o 34.733  2.6008  173.240   22.872    186.601   38.485    165.943   28.439    35.386  4.1386  34.080  3.1512  1.306561       5.201685 
1 1 1 -12 -10 45 o 20.824  3.3393  64.660    17.467    83.128    30.258    55.430    21.392    22.731  5.0957  18.916  4.3172  3.815088       6.678685 
1 1 1 -12 -10 46 f 10.506  3.2447  5.2527    15.098    -5.1886   33.261    7.9625    16.944    11.203  5.0890  9.8093  4.0267  1.393433       6.489401 
1 1 1 -12 -10 47 o 13.320  3.2103  28.518    15.872    -3.5797   29.089    42.124    18.939    10.500  4.7657  16.140  4.3026  -5.639434      6.420611 
1 1 1 -12 -9  1  o 73.033  1.9715  715.695   38.526    679.652   54.594    751.449   54.375    71.198  2.8628  74.868  2.7115  -3.670578      3.943048 
1 1 1 -12 -9  2  o 160.697 3.2482  3468.15   139.808   3495.19   198.059   3441.30   197.379   161.322 4.5837  160.071 4.6036  1.250458       6.496387 
1 1 1 -12 -9  3  o 206.820 4.0411  5753.00   223.861   5777.67   316.761   5728.39   316.414   207.265 5.7058  206.376 5.7241  0.8886108      8.082182 
1 1 1 -12 -9  4  o 123.000 2.6494  2030.29   87.257    2087.44   123.276   1972.91   123.524   124.739 3.6897  121.262 3.8031  3.476891       5.298815 
1 1 1 -12 -9  5  o 89.263  2.1121  1069.08   50.459    1110.39   71.031    1027.00   71.692    91.008  2.9140  87.519  3.0583  3.488884       4.224246 
1 1 1 -12 -9  6  o 105.977 2.3532  1506.68   66.775    1537.11   93.910    1475.56   94.966    107.061 3.2748  104.892 3.3802  2.169769       4.706398 
1 1 1 -12 -9  7  o 236.986 4.5413  7560.64   288.245   7649.70   407.157   7471.15   408.126   238.394 6.3764  235.579 6.4680  2.815704       9.082601 
1 1 1 -12 -9  8  o 113.178 2.4435  1719.55   73.999    1797.66   104.241   1640.20   105.066   115.775 3.3615  110.580 3.5473  5.195717       4.887015 
1 1 1 -12 -9  9  o 189.498 3.6884  4826.01   187.194   4738.32   264.287   4914.30   265.180   187.766 5.2550  191.231 5.1772  -3.464905      7.376857 
1 1 1 -12 -9  10 o 200.652 3.8856  5414.17   208.778   5555.97   295.306   5272.47   295.207   203.290 5.4234  198.015 5.5660  5.274582       7.771266 
1 1 1 -12 -9  11 o 71.371  1.8831  682.787   35.977    715.737   51.228    650.721   50.536    73.071  2.6174  69.671  2.7081  3.400078       3.766242 
1 1 1 -12 -9  12 o 149.705 3.0134  3008.92   120.828   3043.78   171.450   2974.51   170.309   150.568 4.2512  148.843 4.2719  1.725098       6.026794 
1 1 1 -12 -9  13 o 277.932 5.2611  10427.68  391.625   10597.23  554.786   10259.27  552.902   280.198 7.3922  275.666 7.4882  4.532318       10.52221 
1 1 1 -12 -9  14 o 125.849 2.6805  2125.44   90.348    2139.73   128.799   2111.60   126.768   126.264 3.8084  125.434 3.7732  0.8302383      5.361050 
1 1 1 -12 -9  15 o 31.598  1.8081  135.353   15.070    128.165   22.241    141.454   20.491    30.797  2.7243  32.398  2.3779  -1.600973      3.616108 
1 1 1 -12 -9  16 o 140.595 2.9180  2654.89   109.868   2631.41   156.343   2677.80   154.429   139.977 4.1700  141.214 4.0828  -1.236710      5.835956 
1 1 1 -12 -9  17 o 157.214 3.2386  3321.94   136.362   3299.89   193.713   3343.60   191.989   156.692 4.6155  157.735 4.5442  -1.043045      6.477118 
1 1 1 -12 -9  18 o 101.606 2.3788  1385.56   64.725    1372.40   92.247    1398.32   90.838    101.129 3.4056  102.084 3.3222  -0.9552155     4.757586 
1 1 1 -12 -9  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -9  20 o 204.820 4.0232  5651.57   220.706   5708.62   312.519   5594.81   311.734   205.855 5.6680  203.784 5.7112  2.071350       8.046318 
1 1 1 -12 -9  21 o 139.725 2.9657  2623.29   110.990   2635.95   157.092   2610.66   156.834   140.063 4.1874  139.388 4.2008  0.6750488      5.931308 
1 1 1 -12 -9  22 o 115.105 2.6343  1779.26   81.216    1788.47   114.817   1770.03   114.896   115.404 3.7145  114.806 3.7364  0.5981369      5.268597 
1 1 1 -12 -9  23 o 120.301 2.7086  1944.36   87.272    1963.49   123.171   1925.08   123.674   120.898 3.8037  119.704 3.8573  1.193611       5.417224 
1 1 1 -12 -9  24 o 198.553 3.9724  5319.53   211.231   5405.85   298.228   5232.62   299.227   200.184 5.5620  196.922 5.6731  3.262253       7.944754 
1 1 1 -12 -9  25 o 50.609  2.0359  344.962   27.475    348.580   38.528    341.218   39.193    50.884  2.8382  50.335  2.9196  0.5495415      4.071750 
1 1 1 -12 -9  26 o 157.141 3.2984  3330.04   138.818   3346.74   195.372   3313.02   197.279   157.547 4.6298  156.735 4.6992  0.8116302      6.596792 
1 1 1 -12 -9  27 o 40.403  2.1563  220.584   23.161    217.191   32.482    224.094   33.035    40.086  3.0481  40.721  3.0509  -0.6353683     4.312694 
1 1 1 -12 -9  28 o 104.561 2.5619  1472.92   71.732    1471.86   100.280   1474.03   102.650   104.530 3.5816  104.593 3.6641  -0.6282806E-01 5.123852 
1 1 1 -12 -9  29 o 63.358  2.1439  543.077   36.167    584.613   50.440    499.126   51.886    65.922  2.8567  60.794  3.1976  5.127258       4.287796 
1 1 1 -12 -9  30 o 10.330  4.2106  5.5156    18.364    0.0000    0.0000    5.5156    18.364    ?       ?       10.330  4.2106  ?              ?        
1 1 1 -12 -9  31 o 80.126  3.1018  891.758   59.410    914.021   70.497    837.201   110.359   82.264  3.1994  77.988  5.3148  4.276535       6.203526 
1 1 1 -12 -9  32 o 127.386 2.8577  2211.53   97.356    2145.80   140.247   2272.66   135.255   125.489 4.1725  129.283 3.9059  -3.793549      5.715411 
1 1 1 -12 -9  33 o 60.816  2.0316  497.806   32.977    527.628   49.194    473.468   44.441    62.448  2.9411  59.184  2.8034  3.264408       4.063132 
1 1 1 -12 -9  34 f 45.811  1.9951  280.284   24.149    331.453   37.000    242.309   31.875    49.408  2.8075  42.214  2.8355  7.193775       3.990253 
1 1 1 -12 -9  35 o 33.499  2.1568  149.220   18.620    204.498   28.909    110.031   24.341    38.746  2.8045  28.252  3.2775  10.49406       4.313598 
1 1 1 -12 -9  36 o 50.615  2.0781  349.093   27.777    351.630   42.383    347.182   36.776    50.713  3.1356  50.516  2.7281  0.1972046      4.156291 
1 1 1 -12 -9  37 o 20.605  2.6989  59.438    14.071    64.288    22.568    56.354    17.998    21.213  4.1204  19.997  3.4870  1.216444       5.397841 
1 1 1 -12 -9  38 o 22.495  2.7286  70.679    15.369    77.083    25.469    67.010    19.275    23.165  4.2619  21.826  3.4084  1.338469       5.457205 
1 1 1 -12 -9  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -9  40 o 17.692  3.2025  47.801    15.048    39.310    25.104    52.563    18.799    16.344  5.1416  19.039  3.8193  -2.694265      6.404953 
1 1 1 -12 -9  41 o 24.141  2.9948  91.265    17.550    65.676    28.341    107.179   22.351    20.674  5.1401  27.608  3.0748  -6.934050      5.989581 
1 1 1 -12 -9  42 o 12.478  3.1364  10.962    13.639    42.173    24.487    -3.0771   16.423    16.557  5.0568  8.3980  3.7118  8.159057       6.272842 
1 1 1 -12 -9  43 f 16.757  3.3469  42.439    14.816    46.077    27.042    40.879    17.711    17.067  5.3310  16.446  4.0480  0.6213684      6.693720 
1 1 1 -12 -9  44 o 33.707  2.5985  159.126   22.524    198.799   37.151    136.066   28.324    36.807  3.8242  30.606  3.5190  6.200613       5.196915 
1 1 1 -12 -9  45 o 9.1567  2.9193  -4.3675   13.240    -0.5381   26.156    -5.6867   15.352    10.592  4.6828  7.7211  3.4872  2.871194       5.838661 
1 1 1 -12 -9  46 o 10.978  3.3720  4.6411    15.937    13.500    32.693    1.8795    18.253    12.708  5.4272  9.2483  4.0035  3.459347       6.744065 
1 1 1 -12 -9  47 o 21.083  3.5724  71.599    18.773    86.881    33.862    64.818    22.557    22.054  5.6933  20.111  4.3166  1.943022       7.144733 
1 1 1 -12 -8  1  o 23.448  1.7619  74.831    10.827    82.965    15.242    66.547    15.383    24.773  2.3243  22.124  2.6485  2.648460       3.523776 
1 1 1 -12 -8  2  f 42.948  1.6885  247.950   19.346    247.072   27.199    248.850   27.522    42.872  2.3779  43.025  2.3977  -0.1530762     3.376928 
1 1 1 -12 -8  3  o 124.172 2.6315  2068.13   87.520    2074.17   123.743   2062.09   123.802   124.354 3.7151  123.990 3.7278  0.3631058      5.262938 
1 1 1 -12 -8  4  o 24.748  1.6962  83.114    11.061    87.983    15.357    77.866    15.943    25.523  2.2701  23.972  2.5208  1.551022       3.392335 
1 1 1 -12 -8  5  o 46.031  1.6577  283.959   20.382    268.010   28.312    301.117   29.366    44.658  2.3755  47.404  2.3128  -2.745655      3.315411 
1 1 1 -12 -8  6  o 375.692 6.9815  19098.88  702.526   18952.37  992.846   19245.80  994.199   374.237 9.9048  377.147 9.8418  -2.910767      13.96302 
1 1 1 -12 -8  7  o 156.268 3.1160  3277.61   130.406   3325.10   183.934   3229.62   184.912   157.410 4.3626  155.127 4.4503  2.282883       6.231958 
1 1 1 -12 -8  8  o 170.502 3.3640  3903.05   153.621   3935.72   216.887   3870.15   217.621   171.220 4.7292  169.783 4.7854  1.437134       6.727958 
1 1 1 -12 -8  9  o 27.430  1.7131  101.943   12.370    88.548    17.407    115.608   17.582    25.575  2.5762  29.285  2.2588  -3.710802      3.426245 
1 1 1 -12 -8  10 o 285.632 5.3683  10999.35  410.681   11147.35  581.174   10851.74  580.408   287.563 7.5454  283.701 7.6381  3.861328       10.73656 
1 1 1 -12 -8  11 o 241.279 4.5954  7836.30   296.984   7871.17   420.579   7801.62   419.421   241.816 6.4934  240.743 6.5044  1.072769       9.190862 
1 1 1 -12 -8  12 o 48.204  1.7068  313.005   21.907    292.744   31.669    331.595   30.335    46.665  2.5433  49.743  2.2768  -3.077763      3.413560 
1 1 1 -12 -8  13 o 224.840 4.3372  6806.66   261.098   6614.60   370.159   6996.84   368.343   221.664 6.2345  228.017 6.0311  -6.352768      8.674317 
1 1 1 -12 -8  14 o 154.896 3.1442  3221.94   130.442   3241.79   185.582   3202.55   183.383   155.366 4.4595  154.426 4.4335  0.9407196      6.288377 
1 1 1 -12 -8  15 o 157.796 3.2168  3344.45   135.935   3431.95   193.299   3258.84   191.201   159.841 4.5149  155.751 4.5832  4.090347       6.433551 
1 1 1 -12 -8  16 o 164.448 3.3022  3633.66   145.444   3692.41   206.591   3575.93   204.798   165.768 4.6529  163.128 4.6871  2.639618       6.604435 
1 1 1 -12 -8  17 f 128.912 2.7880  2231.78   96.240    2186.86   136.669   2275.96   135.546   127.620 3.9982  130.204 3.8866  -2.583153      5.575951 
1 1 1 -12 -8  18 o 74.172  2.0455  737.817   40.634    738.284   57.827    737.362   57.110    74.195  2.9098  74.149  2.8755  0.4512024E-01  4.090909 
1 1 1 -12 -8  19 o 111.413 2.5232  1666.05   75.284    1706.16   106.828   1626.48   106.110   112.747 3.5375  110.078 3.5989  2.668442       5.046329 
1 1 1 -12 -8  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -8  21 o 10.871  2.8601  7.1057    12.284    23.489    17.901    -7.4775   16.889    13.444  4.3541  8.2985  3.7100  5.145553       5.720281 
1 1 1 -12 -8  22 o 140.072 2.9968  2637.09   112.417   2677.99   158.582   2595.77   159.383   141.169 4.1940  138.976 4.2817  2.193863       5.993516 
1 1 1 -12 -8  23 o 215.939 4.2713  6293.91   246.925   6503.99   348.647   6082.48   349.766   219.585 5.9278  212.293 6.1511  7.292679       8.542546 
1 1 1 -12 -8  24 o 57.308  2.0641  442.359   31.527    476.081   44.342    407.888   44.833    59.571  2.7790  55.046  3.0527  4.525234       4.128222 
1 1 1 -12 -8  25 o 34.836  2.1274  163.648   19.626    155.541   26.890    172.890   28.711    33.910  2.9912  35.761  3.0258  -1.851299      4.254762 
1 1 1 -12 -8  26 o 89.825  2.3458  1083.75   56.427    1066.34   78.813    1102.06   80.826    89.087  3.3029  90.564  3.3320  -1.477425      4.691630 
1 1 1 -12 -8  27 o 106.632 2.5755  1531.08   73.503    1569.67   102.886   1490.86   105.046   108.016 3.5561  105.247 3.7264  2.769554       5.150902 
1 1 1 -12 -8  28 o 33.872  2.2675  155.059   20.281    143.056   27.715    168.894   29.756    32.451  3.2315  35.294  3.1819  -2.842186      4.535067 
1 1 1 -12 -8  29 o 52.988  2.1070  379.456   29.732    389.633   41.223    368.422   42.924    53.746  2.8739  52.230  3.0819  1.516346       4.214016 
1 1 1 -12 -8  30 o 70.736  2.0719  671.388   39.171    710.966   57.769    637.705   53.294    72.654  2.9686  68.819  2.8912  3.835014       4.143878 
1 1 1 -12 -8  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -8  32 o 30.400  2.1792  131.431   16.639    101.934   25.613    152.968   21.886    27.189  3.6061  33.611  2.4479  -6.422276      4.358483 
1 1 1 -12 -8  33 o 72.842  2.1376  716.484   41.572    737.862   61.661    698.668   56.289    73.811  3.1189  71.873  2.9240  1.938530       4.275171 
1 1 1 -12 -8  34 o 37.150  2.0984  191.481   20.173    170.476   31.131    206.686   26.486    35.266  3.3353  39.035  2.5472  -3.768459      4.196727 
1 1 1 -12 -8  35 o 61.535  2.1038  514.400   34.405    515.851   51.539    513.233   46.208    61.530  3.1377  61.540  2.8033  -0.1068497E-01 4.207558 
1 1 1 -12 -8  36 o 57.742  2.1062  452.359   32.263    467.198   49.031    441.028   42.846    58.485  3.1414  56.998  2.8065  1.487598       4.212485 
1 1 1 -12 -8  37 o 14.105  3.0965  27.287    12.704    30.078    20.247    25.475    16.316    14.697  4.6165  13.513  4.1279  1.184109       6.192902 
1 1 1 -12 -8  38 o 44.389  2.1536  269.327   25.173    281.677   38.895    260.425   33.021    45.190  3.2348  43.589  2.8439  1.601437       4.307181 
1 1 1 -12 -8  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -8  40 o 20.658  3.1153  67.722    16.258    45.530    26.958    80.407    20.382    17.444  5.3010  23.871  3.2740  -6.426613      6.230506 
1 1 1 -12 -8  41 o 17.322  3.2319  46.606    15.224    36.284    24.946    52.730    19.217    15.690  5.1433  18.954  3.9149  -3.263256      6.463771 
1 1 1 -12 -8  42 f 30.114  2.6203  126.536   19.925    148.033   33.912    115.202   24.624    31.797  4.0756  28.432  3.2945  3.364923       5.240676 
1 1 1 -12 -8  43 f 25.050  2.8809  89.852    18.023    107.005   30.564    80.709    22.315    26.618  4.4436  23.482  3.6679  3.136089       5.761838 
1 1 1 -12 -8  44 o 10.167  3.0634  3.2002    13.210    12.089    25.293    -0.1344   15.491    11.873  4.9019  8.4606  3.6754  3.412053       6.126728 
1 1 1 -12 -8  45 o 11.351  3.0827  13.979    14.469    -9.9588   25.328    25.574    17.628    9.6074  4.3937  13.094  4.3250  -3.486251      6.165306 
1 1 1 -12 -8  46 o 23.355  3.9632  83.122    23.906    0.0000    0.0000    83.122    23.906    ?       ?       23.355  3.9632  ?              ?        
1 1 1 -12 -8  47 o 17.809  3.7673  54.397    18.445    58.482    33.662    52.643    22.049    17.751  5.9792  17.867  4.5846  -0.1159458     7.534571 
1 1 1 -12 -7  1  o 200.069 3.9246  5378.65   210.247   5234.59   297.631   5522.13   297.039   197.385 5.6296  202.752 5.4696  -5.367004      7.849126 
1 1 1 -12 -7  2  o 200.424 3.9195  5395.65   210.411   5375.64   297.779   5415.61   297.353   200.052 5.5573  200.797 5.5287  -0.7453918     7.839027 
1 1 1 -12 -7  3  o 556.852 10.375  42350.92  1547.31   42932.83  2188.68   41769.48  2187.78   560.750 14.572  552.955 14.772  7.795227       20.74960 
1 1 1 -12 -7  4  o 149.261 3.0255  2990.25   120.870   3115.72   170.663   2863.98   171.209   152.410 4.1806  146.112 4.3747  6.297546       6.051087 
1 1 1 -12 -7  5  o 164.264 3.2755  3620.34   144.104   3557.32   203.174   3684.12   204.420   162.824 4.6587  165.704 4.6058  -2.880005      6.551040 
1 1 1 -12 -7  6  o 308.283 5.7742  12802.53  476.784   12860.95  673.772   12743.93  674.778   308.993 8.1410  307.573 8.1908  1.419861       11.54832 
1 1 1 -12 -7  7  o 339.798 6.3451  15579.30  577.179   16173.78  816.276   14984.88  816.234   346.329 8.7995  333.267 9.1440  13.06259       12.69028 
1 1 1 -12 -7  8  f 79.650  1.9570  850.934   41.700    898.513   58.941    803.253   59.004    81.882  2.6875  77.417  2.8455  4.465202       3.913971 
1 1 1 -12 -7  9  o 324.266 6.0176  14179.49  522.652   14203.53  739.417   14155.48  738.867   324.542 8.5061  323.990 8.5142  0.5516052      12.03518 
1 1 1 -12 -7  10 o 120.870 2.5775  1959.30   83.439    1949.66   118.573   1968.77   117.436   120.574 3.6715  121.166 3.6185  -0.5918427     5.154947 
1 1 1 -12 -7  11 o 78.865  1.9704  833.393   41.610    844.012   59.699    823.362   58.028    79.353  2.8088  78.377  2.7641  0.9757004      3.940762 
1 1 1 -12 -7  12 f 387.431 7.2472  20344.35  752.000   20084.86  1064.40   20602.96  1062.58   384.931 10.324  389.931 10.174  -5.000610      14.49430 
1 1 1 -12 -7  13 o 87.752  2.1482  1033.23   50.446    1008.45   72.340    1056.69   70.382    86.724  3.1142  88.779  2.9598  -2.055046      4.296374 
1 1 1 -12 -7  14 o 12.646  2.4570  22.240    8.7011    17.230    12.713    26.655    11.934    11.471  3.6646  13.822  3.2740  -2.350402      4.914061 
1 1 1 -12 -7  15 o 215.933 4.1883  6275.02   242.231   6343.73   343.360   6206.94   341.779   217.113 5.9044  214.753 5.9418  2.360016       8.376542 
1 1 1 -12 -7  16 o 180.302 3.5913  4370.34   173.417   4460.00   245.860   4281.56   244.642   182.148 5.0394  178.456 5.1181  3.691437       7.182631 
1 1 1 -12 -7  17 o 207.270 4.0548  5783.07   225.103   5837.54   318.682   5728.84   318.006   208.248 5.7133  206.292 5.7552  1.955658       8.109540 
1 1 1 -12 -7  18 o 142.375 2.9723  2722.98   113.324   2789.98   160.317   2656.07   160.210   144.131 4.1527  140.620 4.2536  3.511337       5.944598 
1 1 1 -12 -7  19 o 190.621 3.7786  4890.20   192.924   4892.79   272.590   4887.59   273.081   190.672 5.3374  190.569 5.3500  0.1035919      7.557146 
1 1 1 -12 -7  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -7  21 o 79.540  2.1936  849.070   46.714    860.803   65.409    836.856   66.738    80.103  3.0486  78.976  3.1549  1.126892       4.387203 
1 1 1 -12 -7  22 o 130.417 2.8633  2285.05   100.012   2292.98   140.636   2276.94   142.255   130.649 4.0189  130.185 4.0796  0.4637299      5.726635 
1 1 1 -12 -7  23 o 115.556 2.6369  1793.66   81.595    1814.17   114.507   1772.51   116.299   116.231 3.6781  114.880 3.7796  1.351158       5.273837 
1 1 1 -12 -7  24 o 145.695 3.0983  2855.25   120.880   2891.81   169.880   2817.76   172.042   146.647 4.3249  144.742 4.4376  1.905106       6.196572 
1 1 1 -12 -7  25 f 32.599  2.1468  143.503   18.504    135.875   25.418    152.104   26.992    31.672  3.0333  33.526  3.0388  -1.853945      4.293576 
1 1 1 -12 -7  26 o 84.439  2.3013  959.486   51.953    1004.04   72.536    912.553   74.448    86.465  3.1320  82.413  3.3726  4.051704       4.602608 
1 1 1 -12 -7  27 o 29.551  2.8279  121.777   20.070    125.435   24.361    114.050   35.408    30.406  3.0316  28.695  4.7747  1.711458       5.655833 
1 1 1 -12 -7  28 f 75.981  2.1129  773.194   42.917    839.195   62.796    715.346   58.790    79.014  2.9672  72.947  3.0089  6.066917       4.225779 
1 1 1 -12 -7  29 o 45.111  1.9629  270.572   23.282    340.375   35.142    215.966   31.082    50.258  2.6196  39.964  2.9239  10.29372       3.925762 
1 1 1 -12 -7  30 o 63.196  2.0639  540.680   34.644    515.037   51.275    562.220   46.994    61.749  3.1101  64.643  2.7141  -2.893257      4.127896 
1 1 1 -12 -7  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -7  32 o 48.366  1.9641  311.480   25.120    370.122   38.319    267.286   33.265    52.312  2.7444  44.420  2.8104  7.892014       3.928153 
1 1 1 -12 -7  33 o 19.862  2.5564  55.919    12.811    51.558    20.164    58.870    16.589    19.092  4.0677  20.632  3.0975  -1.540257      5.112759 
1 1 1 -12 -7  34 o 50.245  2.0300  340.899   27.029    359.689   41.025    326.487   35.930    51.435  2.9907  49.055  2.7456  2.380638       4.059902 
1 1 1 -12 -7  35 o 36.825  2.1633  189.721   20.481    163.604   31.684    208.469   26.844    34.474  3.4789  39.177  2.5724  -4.703896      4.326662 
1 1 1 -12 -7  36 f 15.614  2.9569  32.627    12.684    47.861    20.202    22.713    16.297    18.278  4.2128  12.949  4.1503  5.328153       5.913830 
1 1 1 -12 -7  37 o 17.134  2.9391  44.176    13.476    30.323    21.357    53.342    17.372    14.817  4.7514  19.452  3.4610  -4.635457      5.878282 
1 1 1 -12 -7  38 o 11.333  2.4856  11.800    11.792    -30.6565  19.949    34.601    14.620    7.1260  3.4434  15.539  3.5855  -8.413246      4.971209 
1 1 1 -12 -7  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -7  40 o 14.766  3.3001  30.622    13.979    33.677    24.483    29.145    17.028    15.355  5.0984  14.177  4.1917  1.178133       6.600257 
1 1 1 -12 -7  41 o 18.102  3.3137  46.260    15.484    61.851    27.148    38.742    18.851    20.089  5.0508  16.116  4.2908  3.972614       6.627354 
1 1 1 -12 -7  42 o 19.850  3.1236  54.538    15.564    79.701    27.306    42.429    18.942    22.924  4.6068  16.775  4.2196  6.148911       6.247221 
1 1 1 -12 -7  43 o 18.763  3.2687  48.670    15.711    76.761    27.969    35.719    18.991    22.226  4.8357  15.299  4.3993  6.926476       6.537374 
1 1 1 -12 -7  44 o 9.2576  2.9027  -1.6222   13.584    -6.9580   24.308    0.8007    16.381    9.7150  4.3879  8.8003  3.8011  0.9147530      5.805347 
1 1 1 -12 -7  45 o 15.915  3.3871  29.024    15.792    72.736    29.504    11.471    18.696    21.113  5.2416  10.718  4.2913  10.39450       6.774178 
1 1 1 -12 -7  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -7  47 o 12.092  3.4750  13.856    15.966    33.646    30.783    6.5733    18.674    14.407  5.5854  9.7782  4.1360  4.628592       6.949996 
1 1 1 -12 -6  1  o 258.389 4.9411  8976.88   341.967   8966.54   484.026   8987.18   483.203   258.239 6.9977  258.539 6.9777  -0.3000488     9.882167 
1 1 1 -12 -6  2  o 278.844 5.2573  10457.22  392.649   10394.08  555.434   10520.28  555.145   277.999 7.4593  279.689 7.4104  -1.690277      10.51456 
1 1 1 -12 -6  3  o 389.223 7.1923  20442.50  749.802   20581.21  1060.35   20303.77  1060.41   390.553 10.136  387.892 10.206  2.661407       14.38457 
1 1 1 -12 -6  4  f 160.828 3.1718  3468.90   136.630   3433.70   192.689   3504.48   193.762   160.008 4.4960  161.649 4.4751  -1.641785      6.343576 
1 1 1 -12 -6  5  o 204.845 3.9260  5631.90   215.386   5518.09   303.931   5746.71   305.276   202.762 5.5963  206.927 5.5079  -4.164734      7.852091 
1 1 1 -12 -6  6  o 360.477 6.7245  17514.46  649.236   17292.44  917.498   17737.12  918.820   358.175 9.5636  362.778 9.4559  -4.602173      13.44899 
1 1 1 -12 -6  7  o 345.258 6.3978  16060.82  591.562   16375.90  836.647   15745.83  836.544   348.665 8.9587  341.852 9.1361  6.813110       12.79559 
1 1 1 -12 -6  8  o 103.993 2.2703  1449.58   63.234    1435.21   89.664    1463.81   89.191    103.480 3.2350  104.507 3.1863  -1.027481      4.540666 
1 1 1 -12 -6  9  o 289.342 5.4182  11265.59  419.879   11127.13  594.327   11403.56  593.273   287.558 7.7163  291.127 7.6082  -3.569336      10.83637 
1 1 1 -12 -6  10 o 400.211 7.4616  21659.77  799.696   21191.72  1131.58   22126.76  1130.31   395.847 10.673  404.574 10.431  -8.727020      14.92314 
1 1 1 -12 -6  11 o 114.600 2.4951  1762.04   76.538    1716.83   109.303   1805.53   107.209   113.154 3.6064  116.046 3.4491  -2.892334      4.990252 
1 1 1 -12 -6  12 o 175.563 3.4870  4138.00   163.968   4153.39   232.964   4122.90   230.823   175.885 4.9451  175.240 4.9176  0.6444092      6.973999 
1 1 1 -12 -6  13 o 56.822  1.8130  432.342   27.576    443.537   39.836    422.040   38.213    57.527  2.5853  56.117  2.5423  1.410744       3.625903 
1 1 1 -12 -6  14 o 68.224  1.9301  623.930   35.261    623.578   50.425    624.266   49.326    68.205  2.7602  68.244  2.6985  -0.3903198E-01 3.860147 
1 1 1 -12 -6  15 o 177.423 3.5129  4229.52   166.939   4239.49   236.474   4219.61   235.704   177.631 4.9702  177.214 4.9657  0.4163208      7.025744 
1 1 1 -12 -6  16 o 116.654 2.5857  1825.93   80.790    1819.62   114.326   1832.23   114.184   116.452 3.6653  116.856 3.6481  -0.4038773     5.171350 
1 1 1 -12 -6  17 o 158.891 3.2646  3392.03   138.936   3409.09   196.348   3374.93   196.621   159.292 4.6020  158.489 4.6317  0.8035126      6.529234 
1 1 1 -12 -6  18 f 176.898 3.5648  4207.90   168.903   4177.53   238.365   4238.51   239.369   176.256 5.0490  177.540 5.0336  -1.283966      7.129549 
1 1 1 -12 -6  19 o 236.067 4.5723  7515.96   289.107   7466.75   408.171   7565.50   409.552   235.289 6.4767  236.845 6.4559  -1.556015      9.144689 
1 1 1 -12 -6  20 f 50.690  1.9012  345.339   25.706    330.046   35.941    361.355   36.782    49.536  2.7192  51.844  2.6577  -2.307827      3.802328 
1 1 1 -12 -6  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -6  22 o 72.843  2.1411  710.989   41.736    668.755   58.016    756.287   60.084    70.602  3.0679  75.084  2.9876  -4.481888      4.282252 
1 1 1 -12 -6  23 o 209.685 4.1505  5928.94   233.079   5990.73   328.391   5866.21   330.871   210.799 5.8161  208.571 5.9226  2.227783       8.300918 
1 1 1 -12 -6  24 o 127.568 2.8147  2186.29   96.164    2153.22   134.714   2220.65   137.317   126.586 3.9732  128.551 3.9880  -1.965256      5.629456 
1 1 1 -12 -6  25 o 45.575  1.9451  281.135   23.448    266.193   34.836    293.512   31.705    44.440  2.9432  46.710  2.5438  -2.269600      3.890168 
1 1 1 -12 -6  26 o 224.146 4.4432  6809.96   266.407   6452.92   378.434   7160.74   375.101   218.240 6.4739  230.052 6.0874  -11.81140      8.886387 
1 1 1 -12 -6  27 o 48.195  2.1826  331.652   26.154    210.681   38.459    435.733   35.673    39.403  3.6869  56.988  2.3370  -17.58519      4.365183 
1 1 1 -12 -6  28 o 78.256  2.1842  823.360   45.678    823.100   66.885    823.588   62.531    78.234  3.1919  78.277  2.9824  -0.4376984E-01 4.368381 
1 1 1 -12 -6  29 o 28.734  2.1353  112.567   15.964    110.506   24.520    114.083   21.032    28.464  3.2759  29.004  2.7397  -0.5403481     4.270581 
1 1 1 -12 -6  30 o 106.574 2.5001  1529.09   71.272    1635.81   103.664   1433.42   98.148    110.097 3.5153  103.052 3.5558  7.044701       5.000123 
1 1 1 -12 -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -6  32 o 57.441  2.0171  442.722   30.851    479.323   46.340    413.585   41.346    59.586  2.9035  55.295  2.8008  4.290482       4.034204 
1 1 1 -12 -6  33 o 31.700  2.1118  137.198   17.419    136.649   27.155    137.581   22.706    31.590  3.2560  31.809  2.6903  -0.2189293     4.223642 
1 1 1 -12 -6  34 o 33.070  2.2888  156.672   18.958    118.377   29.079    184.981   25.002    29.219  3.8058  36.921  2.5437  -7.701778      4.577627 
1 1 1 -12 -6  35 o 36.892  2.2767  195.287   21.074    146.726   32.425    230.801   27.729    32.543  3.7910  41.241  2.5224  -8.697544      4.553450 
1 1 1 -12 -6  36 o 37.524  2.2344  195.854   21.598    180.259   34.027    206.377   27.951    36.128  3.5626  38.921  2.6979  -2.792263      4.468896 
1 1 1 -12 -6  37 o 38.525  2.2175  200.994   22.328    220.626   35.420    188.049   28.763    40.008  3.3357  37.042  2.9227  2.966213       4.435006 
1 1 1 -12 -6  38 o 39.549  2.2422  215.510   22.976    217.393   36.748    214.302   29.441    39.563  3.5041  39.535  2.7983  0.2839661E-01  4.484313 
1 1 1 -12 -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -6  40 o 23.690  2.8328  78.813    16.865    91.371    27.945    71.619    21.151    25.023  4.3259  22.358  3.6586  2.665567       5.665539 
1 1 1 -12 -6  41 o 25.885  2.9391  100.525   18.307    90.158    31.392    105.867   22.536    24.366  4.9781  27.404  3.1261  -3.038080      5.878276 
1 1 1 -12 -6  42 o 20.152  3.2304  58.307    16.271    74.812    28.545    50.363    19.803    21.983  4.9652  18.321  4.1338  3.661760       6.460824 
1 1 1 -12 -6  43 o 18.574  3.3618  57.433    16.742    39.120    29.667    65.991    20.280    15.987  5.6052  21.162  3.7134  -5.175261      6.723612 
1 1 1 -12 -6  44 o 14.016  2.9656  29.049    16.092    -25.7170  29.227    52.874    19.278    9.3123  4.4083  18.719  3.9681  -9.406731      5.931160 
1 1 1 -12 -6  45 o 37.968  2.8122  212.312   26.684    222.899   45.711    206.838   32.865    38.073  4.5739  37.862  3.2730  0.2118530      5.624319 
1 1 1 -12 -6  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -6  47 o 10.529  3.2601  1.5771    15.468    20.281    30.379    -4.9692   17.973    12.779  5.3319  8.2789  3.7530  4.499975       6.520285 
1 1 1 -12 -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -5  3  o 386.575 14.442  20258.35  1495.35   0.0000    0.0000    20258.35  1495.35   ?       ?       386.575 14.442  ?              ?        
1 1 1 -12 -5  4  o 211.770 8.1410  6028.90   461.777   0.0000    0.0000    6028.90   461.777   ?       ?       211.770 8.1410  ?              ?        
1 1 1 -12 -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -5  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -5  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -5  8  o 187.238 3.6143  4702.87   181.241   4803.50   257.108   4603.48   255.526   189.232 5.0726  185.245 5.1499  3.986374       7.228636 
1 1 1 -12 -5  9  o 241.367 4.6467  7833.64   299.974   7365.35   424.942   8298.79   423.516   234.147 6.7757  248.587 6.3606  -14.44077      9.293416 
1 1 1 -12 -5  10 o 290.631 5.4670  11362.29  425.555   11517.01  603.086   11208.85  600.574   292.608 7.6949  288.655 7.7678  3.953217       10.93393 
1 1 1 -12 -5  11 o 224.255 4.3200  6756.25   259.465   6690.55   367.884   6821.27   366.002   223.165 6.1545  225.345 6.0638  -2.179794      8.639934 
1 1 1 -12 -5  12 o 347.005 6.5090  16251.62  604.960   16139.77  856.267   16363.10  854.819   345.802 9.2447  348.209 9.1653  -2.407379      13.01793 
1 1 1 -12 -5  13 o 180.647 3.5701  4382.06   172.735   4340.55   244.762   4423.25   243.809   179.792 5.0826  181.503 5.0151  -1.711136      7.140296 
1 1 1 -12 -5  14 o 190.805 3.7858  4891.83   193.464   4824.01   273.699   4959.54   273.501   189.478 5.3929  192.131 5.3146  -2.652405      7.571584 
1 1 1 -12 -5  15 o 282.538 5.3714  10768.74  406.452   10586.77  574.553   10951.04  575.069   280.132 7.6573  284.943 7.5348  -4.811615      10.74282 
1 1 1 -12 -5  16 o 169.829 3.4401  3875.30   156.459   3787.21   220.802   3964.14   221.733   167.886 4.9102  171.773 4.8193  -3.887222      6.880137 
1 1 1 -12 -5  17 o 17.818  2.2364  43.924    10.271    45.905    14.351    41.844    14.705    18.258  3.0416  17.378  3.2795  0.8798141      4.472843 
1 1 1 -12 -5  18 o 297.900 5.6546  12004.49  451.181   11885.88  637.171   12123.78  638.966   296.413 8.0255  299.386 7.9681  -2.973083      11.30925 
1 1 1 -12 -5  19 o 133.317 2.8655  2387.25   102.302   2416.82   143.818   2356.98   145.551   134.157 4.0023  132.477 4.1019  1.680145       5.731007 
1 1 1 -12 -5  20 o 48.449  1.8997  316.035   24.522    322.814   34.031    308.713   35.366    48.998  2.6024  47.900  2.7683  1.098167       3.799500 
1 1 1 -12 -5  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -5  22 o 78.288  2.1982  822.705   46.056    832.675   64.051    812.032   66.272    78.783  3.0353  77.794  3.1805  0.9892731      4.396451 
1 1 1 -12 -5  23 o 177.972 3.5614  4268.14   169.067   4769.49   241.299   3784.68   236.954   188.294 4.7844  167.650 5.2768  20.64326       7.122877 
1 1 1 -12 -5  24 o 97.963  2.3690  1287.56   62.122    1307.88   89.731    1268.86   86.089    98.702  3.3941  97.225  3.3058  1.477341       4.737989 
1 1 1 -12 -5  25 o 179.668 3.6741  4357.93   176.491   4102.14   251.413   4606.45   247.819   174.421 5.3815  184.916 5.0035  -10.49576      7.348112 
1 1 1 -12 -5  26 o 169.815 3.5417  3901.08   160.505   3561.74   228.871   4229.48   225.151   162.465 5.2595  177.164 4.7447  -14.69966      7.083384 
1 1 1 -12 -5  27 o 50.805  1.9656  348.149   26.507    342.018   39.352    353.242   35.863    50.379  2.9289  51.232  2.6222  -0.8536644     3.931219 
1 1 1 -12 -5  28 o 44.840  1.9971  270.306   23.749    280.072   35.621    262.491   31.865    45.557  2.9348  44.123  2.7094  1.433617       3.994213 
1 1 1 -12 -5  29 o 141.498 3.0391  2705.05   115.133   2744.15   165.680   2668.53   160.107   142.473 4.3416  140.522 4.2538  1.950287       6.078179 
1 1 1 -12 -5  30 o 47.000  1.9653  295.898   24.499    321.035   37.063    276.392   32.648    48.755  2.8505  45.246  2.7064  3.509148       3.930629 
1 1 1 -12 -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -5  32 o 57.831  2.0884  456.677   31.867    418.881   47.724    487.091   42.810    55.559  3.2208  60.104  2.6592  -4.544891      4.176701 
1 1 1 -12 -5  33 o 57.864  2.0300  446.298   31.134    533.117   47.302    379.936   41.355    62.807  2.8118  52.922  2.9288  9.884113       4.060091 
1 1 1 -12 -5  34 o 55.521  2.0922  418.501   30.739    417.107   46.760    419.562   40.792    55.349  3.1673  55.693  2.7346  -0.3435555     4.184421 
1 1 1 -12 -5  35 o 59.422  2.1499  482.370   33.769    464.473   51.086    496.259   45.003    58.326  3.2834  60.519  2.7763  -2.192585      4.299843 
1 1 1 -12 -5  36 o 28.698  2.3740  113.517   17.467    115.732   27.964    112.100   22.367    28.831  3.7071  28.565  2.9667  0.2663002      4.748001 
1 1 1 -12 -5  37 o 26.712  2.4519  96.690    16.731    112.135   27.418    87.527    21.118    28.318  3.7035  25.107  3.2141  3.211132       4.903719 
1 1 1 -12 -5  38 o 42.679  2.1942  247.714   24.460    267.881   39.026    234.666   31.391    44.006  3.3358  41.353  2.8515  2.652897       4.388431 
1 1 1 -12 -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -5  40 o 49.031  2.3037  333.772   29.386    343.495   47.058    327.556   37.623    49.412  3.5798  48.650  2.9004  0.7625618      4.607341 
1 1 1 -12 -5  41 o 19.493  3.1129  50.725    15.395    82.705    27.126    35.529    18.698    23.558  4.4623  15.429  4.3416  8.129377       6.225890 
1 1 1 -12 -5  42 o 45.826  2.4044  299.317   28.336    296.642   45.998    300.952   35.972    45.303  3.8265  46.349  2.9124  -1.045483      4.808759 
1 1 1 -12 -5  43 o 14.147  3.4247  28.106    14.600    33.605    27.022    25.839    17.350    15.049  5.3426  13.244  4.2863  1.805080       6.849442 
1 1 1 -12 -5  44 o 21.721  3.4202  70.521    18.375    85.963    32.715    63.405    22.209    23.032  5.3973  20.410  4.2025  2.622429       6.840410 
1 1 1 -12 -5  45 o 30.785  3.0649  141.824   22.781    152.358   40.733    137.029   27.481    30.908  5.0981  30.661  3.4036  0.2463913      6.129803 
1 1 1 -12 -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -4  1  o 483.432 8.9427  31560.53  1157.94   31316.06  1637.73   31804.90  1637.41   481.544 12.697  485.320 12.596  -3.776001      17.88544 
1 1 1 -12 -4  2  o 393.711 7.3256  20872.53  772.358   20376.03  1091.83   21369.85  1092.73   388.999 10.479  398.422 10.240  -9.422455      14.65116 
1 1 1 -12 -4  3  o 368.537 6.8158  18271.69  672.759   18509.94  951.135   18033.15  951.716   370.953 9.5727  366.121 9.7049  4.831177       13.63167 
1 1 1 -12 -4  4  o 350.046 6.4856  16476.68  608.030   16710.31  859.462   16242.59  860.307   352.541 9.1018  347.551 9.2416  4.989929       12.97111 
1 1 1 -12 -4  5  o 269.650 5.0556  9761.62   365.143   9778.91   516.146   9744.29   516.635   269.890 7.1400  269.410 7.1595  0.4800415      10.11125 
1 1 1 -12 -4  6  o 183.879 3.5506  4533.76   174.872   4562.78   247.626   4504.88   246.988   184.466 5.0118  183.291 5.0309  1.175034       7.101253 
1 1 1 -12 -4  7  o 425.292 7.8337  24376.73  892.323   24680.60  1262.95   24073.84  1260.92   427.953 11.018  422.631 11.139  5.322205       15.66741 
1 1 1 -12 -4  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -4  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -4  10 o 321.323 6.0390  13893.34  519.748   13960.36  736.031   13826.69  734.041   322.097 8.5314  320.548 8.5494  1.548950       12.07798 
1 1 1 -12 -4  11 o 188.119 3.6875  4749.31   185.786   4688.50   263.378   4809.54   262.109   186.917 5.2607  189.321 5.1689  -2.404114      7.375081 
1 1 1 -12 -4  12 o 171.510 3.4281  3947.75   157.457   3870.90   222.960   4024.20   222.397   169.842 4.9011  173.179 4.7945  -3.337830      6.856236 
1 1 1 -12 -4  13 o 311.663 5.9187  13094.73  494.084   13101.23  698.742   13088.22  698.738   311.741 8.3682  311.585 8.3724  0.1558228      11.83741 
1 1 1 -12 -4  14 o 176.761 3.5438  4195.66   167.772   4142.11   236.891   4249.54   237.641   175.628 5.0358  177.895 4.9873  -2.267578      7.087503 
1 1 1 -12 -4  15 o 147.662 3.0488  2926.48   120.573   2872.67   169.958   2980.99   171.079   146.294 4.3374  149.030 4.2858  -2.736618      6.097627 
1 1 1 -12 -4  16 o 28.493  1.8752  109.914   14.030    93.578    19.546    127.275   20.150    26.269  2.8222  30.716  2.4700  -4.447336      3.750430 
1 1 1 -12 -4  17 o 135.139 2.9126  2452.25   105.407   2484.70   148.305   2419.12   149.843   136.047 4.0698  134.231 4.1677  1.815262       5.825210 
1 1 1 -12 -4  18 o 169.562 3.4410  3864.49   156.276   3845.75   220.035   3883.56   221.992   169.148 4.8566  169.975 4.8760  -0.8270721     6.882027 
1 1 1 -12 -4  19 o 102.586 2.4315  1411.70   66.800    1377.46   93.579    1447.28   95.384    101.317 3.4483  103.854 3.4290  -2.537155      4.863002 
1 1 1 -12 -4  20 f 53.743  1.8260  386.927   26.250    393.616   38.263    380.978   36.080    54.181  2.6366  53.306  2.5270  0.8742523      3.652011 
1 1 1 -12 -4  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -4  22 o 74.399  2.0717  740.324   41.223    794.212   60.121    692.510   56.631    76.947  2.9170  71.851  2.9427  5.096405       4.143471 
1 1 1 -12 -4  23 o 111.345 2.5706  1665.76   76.592    1634.19   110.086   1695.39   106.632   110.314 3.7257  112.376 3.5426  -2.061386      5.141117 
1 1 1 -12 -4  24 o 72.039  2.0770  696.167   39.998    698.198   58.464    694.381   54.840    72.134  3.0259  71.945  2.8458  0.1894684      4.153930 
1 1 1 -12 -4  25 o 96.900  2.3383  1257.43   60.529    1393.58   87.878    1134.52   83.492    101.884 3.2202  91.916  3.3913  9.968536       4.676629 
1 1 1 -12 -4  26 o 90.134  2.2571  1087.72   54.397    1178.83   79.285    1006.69   74.773    93.692  3.1594  86.576  3.2244  7.115601       4.514272 
1 1 1 -12 -4  27 o 97.318  2.4074  1273.83   62.663    1263.24   90.875    1283.42   86.522    96.922  3.5005  97.714  3.3058  -0.7928391     4.814791 
1 1 1 -12 -4  28 o 131.633 2.8949  2334.46   102.018   2404.92   147.064   2269.11   141.641   133.541 4.1115  129.724 4.0764  3.817703       5.789791 
1 1 1 -12 -4  29 o 58.695  2.0202  463.499   31.528    467.740   47.199    460.083   42.367    58.887  3.0024  58.504  2.7037  0.3838997      4.040311 
1 1 1 -12 -4  30 o 92.020  2.3504  1140.02   57.836    1175.03   84.699    1109.43   79.167    93.329  3.3882  90.711  3.2583  2.617668       4.700702 
1 1 1 -12 -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -4  32 o 46.437  2.0091  291.375   24.652    297.926   37.590    286.430   32.655    46.863  3.0106  46.011  2.6611  0.8516808      4.018104 
1 1 1 -12 -4  33 o 50.598  2.0342  345.837   27.252    358.988   41.439    335.814   36.175    51.412  3.0225  49.785  2.7231  1.626301       4.068301 
1 1 1 -12 -4  34 o 23.474  2.4228  76.345    14.353    76.929    23.235    75.985    18.252    23.448  3.8319  23.500  2.9657  -0.5216026E-01 4.845501 
1 1 1 -12 -4  35 o 55.938  2.1494  429.331   31.619    402.979   48.242    449.177   41.865    54.291  3.3336  57.585  2.7143  -3.293949      4.298856 
1 1 1 -12 -4  36 o 66.490  2.2333  602.308   39.322    611.361   60.051    595.513   52.027    66.808  3.3667  66.173  2.9354  0.6351013      4.466651 
1 1 1 -12 -4  37 o 23.690  2.9216  86.859    16.663    56.775    26.901    105.585   21.224    19.693  5.0698  27.688  2.9052  -7.994999      5.843235 
1 1 1 -12 -4  38 o 53.742  2.2110  394.767   31.276    415.426   48.778    380.344   40.757    54.829  3.3373  52.655  2.9010  2.174381       4.421932 
1 1 1 -12 -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -4  40 o 29.348  2.6312  114.793   19.513    160.650   33.007    90.156    24.194    33.609  3.7295  25.087  3.7126  8.521400       5.262362 
1 1 1 -12 -4  41 o 18.519  3.1003  59.513    16.878    13.908    28.692    83.647    20.872    12.814  5.2476  24.224  3.3030  -11.40999      6.200560 
1 1 1 -12 -4  42 o 14.246  2.8760  32.137    14.459    -10.9658  26.159    51.097    17.350    9.8330  4.4846  18.659  3.6020  -8.825688      5.752016 
1 1 1 -12 -4  43 o 15.326  3.2414  24.901    14.572    66.913    27.495    8.4919    17.183    20.568  5.0321  10.085  4.0870  10.48346       6.482714 
1 1 1 -12 -4  44 o 25.749  3.2494  99.252    20.303    110.549   36.061    94.009    24.566    26.265  5.3085  25.233  3.7488  1.032001       6.498759 
1 1 1 -12 -4  45 o 16.205  3.8139  38.869    17.785    55.521    33.944    32.568    20.881    17.961  6.0045  14.449  4.7041  3.511526       7.627731 
1 1 1 -12 -4  46 o 9.3849  3.0108  -8.8780   14.024    11.641    28.251    -15.5885  16.156    11.860  5.0545  6.9104  3.2731  4.949162       6.021674 
1 1 1 -12 -3  1  o 180.739 3.5656  4381.67   172.497   4197.15   243.950   4566.18   243.944   176.927 5.1477  184.550 4.9350  -7.622833      7.131165 
1 1 1 -12 -3  2  o 366.057 6.7775  18019.07  664.296   17468.36  938.789   18571.35  940.125   360.434 9.7242  371.681 9.4433  -11.24753      13.55496 
1 1 1 -12 -3  3  o 35.818  1.5839  173.006   15.070    180.775   20.825    164.463   21.837    36.675  2.1291  34.961  2.3455  1.714115       3.167758 
1 1 1 -12 -3  4  o 192.582 3.7185  4972.64   191.809   4966.76   270.937   4978.55   271.581   192.468 5.2556  192.696 5.2618  -0.2280121     7.436949 
1 1 1 -12 -3  5  o 337.976 6.2619  15348.45  566.866   15337.28  801.957   15359.60  801.382   337.852 8.8621  338.099 8.8492  -0.2473450     12.52379 
1 1 1 -12 -3  6  o 402.746 7.4603  21831.37  804.600   21318.00  1138.36   22343.87  1137.40   397.990 10.679  407.501 10.421  -9.511444      14.92057 
1 1 1 -12 -3  7  o 183.771 3.5749  4527.72   175.958   4595.68   250.041   4461.05   247.661   185.137 5.0423  182.404 5.0691  2.733002       7.149883 
1 1 1 -12 -3  8  o 122.356 2.6090  2005.71   85.454    2102.17   121.963   1912.69   119.767   125.246 3.6356  119.466 3.7429  5.779930       5.217903 
1 1 1 -12 -3  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -3  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -3  11 o 209.575 4.0794  5895.96   228.955   5769.86   323.777   6022.07   323.805   207.329 5.8304  211.822 5.7072  -4.492935      8.158777 
1 1 1 -12 -3  12 o 377.192 7.0779  19200.98  715.067   19025.92  1010.91   19376.29  1011.61   375.459 10.052  378.925 9.9671  -3.466034      14.15588 
1 1 1 -12 -3  13 o 355.943 6.6872  17102.96  637.516   16888.82  900.911   17317.74  902.260   353.696 9.5096  358.190 9.4043  -4.494659      13.37440 
1 1 1 -12 -3  14 f 242.781 4.6742  7930.32   303.911   8073.60   429.168   7786.19   430.424   244.993 6.5401  240.570 6.6799  4.423019       9.348448 
1 1 1 -12 -3  15 o 152.254 3.1511  3111.82   128.498   3123.54   180.920   3099.89   182.538   152.546 4.4279  151.963 4.4846  0.5829468      6.302238 
1 1 1 -12 -3  16 o 204.788 4.0116  5639.89   220.029   5545.05   310.181   5735.94   312.165   203.051 5.7032  206.525 5.6431  -3.474777      8.023214 
1 1 1 -12 -3  17 o 287.638 6.7227  11221.55  488.086   11217.33  597.873   11230.00  845.131   288.175 7.7457  287.102 10.990  1.073883       13.44536 
1 1 1 -12 -3  18 o 120.534 2.6550  1949.92   85.699    1951.97   122.414   1947.94   120.015   120.594 3.7898  120.475 3.7192  0.1194687      5.309903 
1 1 1 -12 -3  19 o 50.303  1.8516  342.824   24.658    303.765   35.843    377.920   33.976    47.510  2.8294  53.097  2.3890  -5.586483      3.703119 
1 1 1 -12 -3  20 o 111.217 2.5813  1668.96   76.466    1491.78   109.437   1837.99   106.886   105.403 3.8763  117.031 3.4098  -11.62798      5.162625 
1 1 1 -12 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -3  22 o 175.189 3.5297  4128.87   165.611   4188.45   236.169   4071.22   232.298   176.432 4.9976  173.947 4.9859  2.484650       7.059340 
1 1 1 -12 -3  23 o 84.109  2.1869  946.637   49.176    1031.79   71.460    870.031   67.777    87.695  3.0423  80.523  3.1425  7.172096       4.373886 
1 1 1 -12 -3  24 o 28.505  2.1263  108.127   15.219    157.926   23.332    71.246    20.078    34.220  2.5641  22.790  3.3927  11.43033       4.252692 
1 1 1 -12 -3  25 o 136.870 2.9159  2516.67   106.824   2650.55   153.456   2390.80   148.796   140.404 4.0805  133.335 4.1664  7.068192       5.831742 
1 1 1 -12 -3  26 f 91.721  2.3201  1128.29   56.944    1169.66   82.795    1091.16   78.444    93.311  3.3127  90.131  3.2494  3.180313       4.640291 
1 1 1 -12 -3  27 o 30.944  2.0722  126.159   16.582    168.893   25.736    95.830    21.682    35.361  2.7386  26.526  3.1107  8.835266       4.144471 
1 1 1 -12 -3  28 o 107.391 2.5216  1548.60   72.426    1664.24   105.426   1445.25   99.668    111.182 3.5402  103.601 3.5917  7.580658       5.043150 
1 1 1 -12 -3  29 o 50.548  2.0129  344.429   26.953    347.156   40.651    342.289   36.005    50.706  3.0065  50.390  2.6773  0.3152924      4.025787 
1 1 1 -12 -3  30 o 61.695  2.0404  510.104   33.568    537.413   50.354    488.260   45.035    63.163  2.9764  60.226  2.7918  2.936787       4.080759 
1 1 1 -12 -3  31 o 54.874  4.2627  411.664   62.161    411.664   62.161    0.0000    0.0000    54.874  4.2627  ?       ?       ?              ?        
1 1 1 -12 -3  32 o 62.782  2.1334  535.675   35.488    514.917   53.226    552.290   47.618    61.597  3.2374  63.967  2.7792  -2.369957      4.266729 
1 1 1 -12 -3  33 o 25.978  2.2688  92.175    15.223    96.665    23.862    89.093    19.768    26.463  3.4484  25.494  2.9494  0.9693527      4.537641 
1 1 1 -12 -3  34 o 39.898  2.0575  214.158   21.579    233.558   33.701    200.677   28.094    41.382  3.0622  38.413  2.7487  2.969547       4.114925 
1 1 1 -12 -3  35 o 38.065  2.2694  205.678   21.940    165.281   33.917    234.746   28.771    34.565  3.7222  41.566  2.5972  -7.000740      4.538728 
1 1 1 -12 -3  36 o 9.7103  2.7729  5.2534    11.557    -6.5550   18.816    12.407    14.645    8.8292  3.9338  10.591  3.9091  -1.762187      5.545789 
1 1 1 -12 -3  37 o 70.101  2.3058  672.265   42.896    682.870   65.440    664.276   56.801    70.480  3.4665  69.721  3.0416  0.7590790      4.611687 
1 1 1 -12 -3  38 o 27.561  2.5905  103.400   18.154    122.573   30.128    92.470    22.748    29.434  3.9189  25.688  3.3889  3.746330       5.180949 
1 1 1 -12 -3  39 o 46.780  2.7187  307.738   33.701    284.536   46.374    333.704   49.059    44.874  3.8969  48.686  3.7920  -3.811188      5.437416 
1 1 1 -12 -3  40 o 38.766  2.4248  206.271   24.082    233.164   40.428    191.480   29.982    40.487  3.7713  37.045  3.0488  3.442909       4.849538 
1 1 1 -12 -3  41 o 54.294  2.4242  418.045   34.084    414.292   54.726    420.424   43.565    53.734  3.8274  54.855  2.9762  -1.120701      4.848352 
1 1 1 -12 -3  42 o 12.163  3.0997  5.0584    13.584    44.414    25.436    -10.6449  16.067    16.862  5.1546  7.4630  3.4444  9.399265       6.199493 
1 1 1 -12 -3  43 o 17.270  3.2821  51.975    17.354    14.100    31.067    69.155    20.923    12.910  5.3897  21.630  3.7471  -8.720220      6.564265 
1 1 1 -12 -3  44 o 40.927  2.6330  235.206   27.334    281.029   47.298    212.228   33.493    43.434  4.1147  38.420  3.2863  5.013794       5.265996 
1 1 1 -12 -3  45 o 14.833  3.8390  33.391    18.145    30.211    38.844    34.278    20.521    14.932  6.1094  14.734  4.6504  0.1978912      7.677971 
1 1 1 -12 -3  46 o 8.2423  2.6576  -6.0916   12.770    -34.7507  26.262    2.7820    14.613    7.9991  3.8859  8.4856  3.6263  -0.4864588     5.315105 
1 1 1 -12 -2  1  o 47.259  1.6385  299.149   20.737    297.739   29.024    300.618   29.638    47.146  2.2984  47.373  2.3357  -0.2272339     3.276934 
1 1 1 -12 -2  2  o 382.734 7.2160  19700.83  739.463   19060.10  1044.95   20343.54  1046.57   376.475 10.363  388.992 10.045  -12.51721      14.43194 
1 1 1 -12 -2  3  o 103.926 2.3296  1447.42   64.832    1477.14   91.394    1417.31   91.980    105.001 3.2496  102.851 3.3388  2.149826       4.659181 
1 1 1 -12 -2  4  o 325.839 6.0202  14261.32  525.250   13847.60  742.826   14675.02  742.806   321.099 8.6369  330.579 8.3890  -9.480560      12.04044 
1 1 1 -12 -2  5  o 133.693 2.7786  2399.89   99.278    2231.84   141.176   2564.30   139.639   129.051 4.0842  138.336 3.7686  -9.284958      5.557270 
1 1 1 -12 -2  6  o 454.077 8.3376  27767.03  1014.04   27921.17  1435.23   27613.40  1432.91   455.340 11.768  452.814 11.814  2.526428       16.67515 
1 1 1 -12 -2  7  o 60.662  1.7745  492.399   28.813    508.093   41.694    478.053   39.863    61.586  2.5276  59.738  2.4913  1.848080       3.548975 
1 1 1 -12 -2  8  f 510.251 9.4583  35149.42  1292.53   35751.12  1829.16   34549.36  1826.67   514.645 13.270  505.857 13.482  8.787598       18.91655 
1 1 1 -12 -2  9  o 284.446 5.3802  10866.78  409.902   10786.78  579.852   10946.69  579.526   283.397 7.6389  285.496 7.5785  -2.099335      10.76045 
1 1 1 -12 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -2  11 o 368.459 6.8838  18291.55  679.330   18510.53  960.402   18072.29  961.033   370.680 9.6731  366.238 9.7968  4.441956       13.76758 
1 1 1 -12 -2  12 o 173.537 3.4836  4040.94   161.899   4103.97   228.299   3977.16   229.627   174.902 4.8733  172.172 4.9793  2.729889       6.967234 
1 1 1 -12 -2  13 o 316.742 5.9677  13520.17  506.187   13816.54  715.219   13222.74  716.496   320.243 8.3382  313.240 8.5398  7.002655       11.93537 
1 1 1 -12 -2  14 o 222.686 5.3740  6753.17   300.443   6897.73   368.078   6464.58   520.065   226.529 6.0663  218.843 8.8723  7.685654       10.74793 
1 1 1 -12 -2  15 o 246.045 4.6926  8149.37   309.121   8454.24   438.562   7848.36   435.779   250.638 6.5327  241.453 6.7382  9.185593       9.385108 
1 1 1 -12 -2  16 f 320.626 6.0245  13897.16  517.380   13908.02  732.975   13886.37  730.403   320.747 8.5317  320.505 8.5082  0.2415161      12.04907 
1 1 1 -12 -2  17 o 138.796 2.9095  2585.36   108.138   2665.00   154.376   2508.64   151.525   140.896 4.0906  136.696 4.1385  4.199753       5.818954 
1 1 1 -12 -2  18 o 47.158  1.7955  298.555   22.564    306.657   32.961    291.410   30.955    47.757  2.5864  46.558  2.4913  1.198963       3.591095 
1 1 1 -12 -2  19 o 87.958  2.1902  1036.34   51.553    1100.10   74.330    977.243   71.564    90.563  3.0642  85.353  3.1303  5.209625       4.380464 
1 1 1 -12 -2  20 o 84.806  2.1710  963.367   49.278    1011.62   71.232    919.072   68.244    86.841  3.0624  82.772  3.0782  4.068466       4.342056 
1 1 1 -12 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -2  22 o 153.157 3.1804  3152.95   130.449   3184.19   186.469   3123.01   182.558   153.897 4.5236  152.418 4.4717  1.478973       6.360799 
1 1 1 -12 -2  23 o 142.967 3.0563  2748.28   116.982   2716.71   167.437   2778.39   163.509   142.155 4.3975  143.778 4.2458  -1.623322      6.112645 
1 1 1 -12 -2  24 o 142.275 3.0780  2726.52   117.096   2596.44   167.658   2850.39   163.614   138.936 4.5053  145.614 4.1950  -6.677994      6.155924 
1 1 1 -12 -2  25 o 117.255 2.6933  1851.94   84.389    1762.85   121.582   1934.76   117.225   114.511 3.9640  120.000 3.6471  -5.488953      5.386550 
1 1 1 -12 -2  26 o 80.499  2.1915  868.795   47.178    895.068   69.058    845.801   64.603    81.634  3.1583  79.364  3.0391  2.270035       4.382994 
1 1 1 -12 -2  27 o 63.864  2.1178  553.861   35.779    500.406   52.809    599.222   48.647    60.926  3.2478  66.802  2.7188  -5.875965      4.235511 
1 1 1 -12 -2  28 o 49.306  2.0351  328.734   26.535    320.759   39.911    335.052   35.524    48.743  3.0727  49.869  2.6692  -1.126358      4.070148 
1 1 1 -12 -2  29 o 48.011  1.9919  310.160   25.347    319.353   38.233    302.952   33.856    48.628  2.9493  47.394  2.6780  1.234337       3.983715 
1 1 1 -12 -2  30 o 29.286  2.2005  120.559   16.274    101.009   25.504    133.984   21.135    27.111  3.6013  31.460  2.5296  -4.349096      4.400931 
1 1 1 -12 -2  31 o 30.463  2.0958  124.613   16.738    139.922   25.833    113.535   21.975    32.054  3.0455  28.872  2.8800  3.181292       4.191561 
1 1 1 -12 -2  32 o 46.899  2.0668  299.823   25.445    289.318   39.118    307.527   33.502    46.125  3.1858  47.673  2.6339  -1.548038      4.133601 
1 1 1 -12 -2  33 o 13.903  2.8500  25.966    10.938    31.730    18.077    22.636    13.739    15.028  4.2828  12.779  3.7614  2.249562       5.700075 
1 1 1 -12 -2  34 o 34.124  2.3500  168.321   19.872    126.146   31.113    197.378   25.825    30.116  3.9525  38.131  2.5431  -8.015631      4.700013 
1 1 1 -12 -2  35 o 38.063  2.1690  197.979   21.418    199.475   34.140    197.008   27.504    38.095  3.3809  38.030  2.7181  0.6530380E-01  4.338040 
1 1 1 -12 -2  36 o 80.687  2.3856  890.634   51.153    894.448   77.359    887.671   68.188    80.733  3.5774  80.642  3.1569  0.9108734E-01  4.771149 
1 1 1 -12 -2  37 f 55.796  2.2774  432.064   33.183    404.188   51.564    451.768   43.352    54.035  3.5831  57.558  2.8120  -3.523327      4.554746 
1 1 1 -12 -2  38 o 31.791  2.9855  139.820   25.124    0.0000    0.0000    139.820   25.124    ?       ?       31.791  2.9855  ?              ?        
1 1 1 -12 -2  39 o 27.610  2.8054  111.166   19.046    102.319   31.680    116.174   23.834    26.390  4.6518  28.829  3.1373  -2.438272      5.610866 
1 1 1 -12 -2  40 o 47.803  2.3716  317.676   29.492    338.251   47.510    304.777   37.617    48.841  3.6583  46.766  3.0191  2.074352       4.743254 
1 1 1 -12 -2  41 o 19.204  3.3219  58.054    16.509    49.496    28.278    62.479    20.335    17.784  5.4346  20.624  3.8218  -2.840096      6.643856 
1 1 1 -12 -2  42 o 20.560  3.3645  60.715    16.993    79.972    31.319    52.681    20.230    22.439  5.2961  18.681  4.1508  3.758221       6.728918 
1 1 1 -12 -2  43 f 27.268  3.2598  119.141   21.105    96.673    36.051    130.855   26.032    24.345  5.6394  30.191  3.2715  -5.845806      6.519568 
1 1 1 -12 -2  44 o 12.888  3.4618  22.329    16.068    12.006    30.374    26.341    18.934    12.472  5.2751  13.304  4.4843  -0.8314571     6.923573 
1 1 1 -12 -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -2  46 o 23.504  3.6264  83.755    20.416    124.455   39.304    68.716    23.892    26.464  5.7123  20.544  4.4690  5.920542       7.252730 
1 1 1 -12 -1  1  o 67.316  1.8332  606.915   33.046    589.303   46.435    624.987   47.038    66.326  2.6138  68.305  2.5710  -1.978867      3.666343 
1 1 1 -12 -1  2  o 206.891 4.0407  5741.29   223.778   5502.80   316.168   5980.68   316.772   202.579 5.8269  211.202 5.5996  -8.623123      8.081337 
1 1 1 -12 -1  3  o 116.095 2.4705  1805.74   76.819    1821.30   109.069   1790.43   108.214   116.591 3.4926  115.599 3.4950  0.9922485      4.940937 
1 1 1 -12 -1  4  o 153.859 3.0930  3172.26   127.458   3222.69   181.097   3122.76   179.422   155.071 4.3601  152.647 4.3883  2.423904       6.186066 
1 1 1 -12 -1  5  o 297.457 5.5742  11877.22  444.105   11828.64  628.983   11925.52  627.140   296.849 7.9107  298.066 7.8553  -1.217957      11.14830 
1 1 1 -12 -1  6  o 454.400 8.4671  27804.80  1030.47   28188.18  1458.52   27422.68  1456.10   457.542 11.901  451.257 12.047  6.285400       16.93429 
1 1 1 -12 -1  7  o 172.312 3.4526  3980.81   159.276   4136.99   225.916   3826.46   224.590   175.676 4.8012  168.949 4.9630  6.727173       6.905267 
1 1 1 -12 -1  8  o 301.225 5.6545  12185.75  456.183   12368.85  645.275   12002.80  645.006   303.493 7.9379  298.957 8.0550  4.536469       11.30902 
1 1 1 -12 -1  9  o 234.154 4.4815  7356.72   281.054   7258.83   396.962   7455.12   397.979   232.589 6.3719  235.718 6.3035  -3.128525      8.962984 
1 1 1 -12 -1  10 o 338.726 8.9784  15498.09  814.581   15551.46  1150.82   15444.51  1153.17   339.318 12.662  338.134 12.733  1.184692       17.95690 
1 1 1 -12 -1  11 o 211.140 5.7602  5993.38   325.651   6215.77   464.113   5777.70   457.049   215.007 8.0590  207.274 8.2325  7.733063       11.52047 
1 1 1 -12 -1  12 f 361.133 6.7282  17580.51  650.778   17391.22  921.187   17769.10  919.495   359.177 9.5752  363.088 9.4547  -3.910919      13.45648 
1 1 1 -12 -1  13 o 296.128 5.6396  11821.53  446.556   11043.11  632.019   12597.53  631.034   286.328 8.2410  305.928 7.7010  -19.60001      11.27911 
1 1 1 -12 -1  14 o 330.681 6.2091  14758.95  549.919   14584.36  778.785   14932.57  776.625   328.712 8.8453  332.651 8.7163  -3.938416      12.41828 
1 1 1 -12 -1  15 o 99.428  2.3374  1324.71   62.192    1406.18   89.146    1247.46   86.805    102.406 3.2500  96.450  3.3601  5.956749       4.674732 
1 1 1 -12 -1  16 o 218.154 4.1982  6404.17   245.118   6732.60   348.227   6081.62   345.095   223.719 5.8112  212.588 6.0605  11.13173       8.396469 
1 1 1 -12 -1  17 o 242.916 4.6769  7952.95   304.287   7920.09   431.708   7985.40   428.960   242.409 6.6489  243.423 6.5791  -1.013687      9.353761 
1 1 1 -12 -1  18 o 105.549 2.4633  1497.20   69.528    1430.59   99.626    1560.45   97.079    103.249 3.6024  107.848 3.3607  -4.598549      4.926608 
1 1 1 -12 -1  19 o 78.746  2.1759  840.508   45.381    714.359   65.336    958.103   63.082    72.966  3.3430  84.527  2.7862  -11.56049      4.351898 
1 1 1 -12 -1  20 o 257.214 4.9297  8936.33   339.621   9010.36   482.186   8863.46   478.429   258.271 6.9703  256.156 6.9731  2.114929       9.859426 
1 1 1 -12 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -1  22 o 183.867 3.7058  4552.14   182.458   4508.04   260.179   4594.83   255.941   182.978 5.3087  184.756 5.1719  -1.778152      7.411541 
1 1 1 -12 -1  23 o 73.664  2.0928  723.985   41.140    817.671   60.528    643.543   56.087    78.072  2.8945  69.257  3.0235  8.815292       4.185664 
1 1 1 -12 -1  24 o 101.057 2.4472  1372.21   66.147    1353.19   95.743    1389.58   91.494    100.379 3.5610  101.735 3.3576  -1.356148      4.894329 
1 1 1 -12 -1  25 o 92.102  2.4006  1148.07   58.765    1024.57   85.192    1260.18   81.167    87.320  3.6425  96.883  3.1278  -9.563118      4.801104 
1 1 1 -12 -1  26 o 26.942  2.2489  97.073    15.073    143.744   23.105    62.495    19.887    32.618  2.6679  21.267  3.6210  11.35124       4.497717 
1 1 1 -12 -1  27 o 118.579 2.6728  1889.06   84.795    2009.23   123.145   1780.71   116.934   122.160 3.7636  114.998 3.7963  7.161957       5.345660 
1 1 1 -12 -1  28 o 82.289  2.2386  905.192   49.160    1018.49   72.686    809.676   66.740    87.010  3.1189  77.569  3.2122  9.441132       4.477253 
1 1 1 -12 -1  29 o 36.227  2.1894  186.417   19.948    140.510   30.689    220.006   26.250    32.067  3.6374  40.388  2.4380  -8.321678      4.378859 
1 1 1 -12 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -1  31 o 42.727  2.0789  250.937   23.177    227.498   35.428    268.474   30.643    40.890  3.2619  44.564  2.5782  -3.674782      4.157789 
1 1 1 -12 -1  32 o 43.589  2.0885  259.983   23.807    247.009   36.752    269.363   31.250    42.577  3.2472  44.600  2.6275  -2.023209      4.177065 
1 1 1 -12 -1  33 o 85.668  2.3353  990.808   53.374    1064.39   79.941    931.623   71.695    88.495  3.3726  82.842  3.2311  5.653145       4.670615 
1 1 1 -12 -1  34 o 94.296  2.4667  1207.11   62.082    1273.29   92.576    1153.03   83.691    96.591  3.5783  92.001  3.3962  4.589432       4.933372 
1 1 1 -12 -1  35 o 39.389  2.3254  219.802   23.324    181.904   36.303    246.443   30.437    36.225  3.7980  42.553  2.6842  -6.328121      4.650819 
1 1 1 -12 -1  36 o 44.333  2.2674  270.642   26.021    267.124   41.676    272.890   33.313    43.962  3.5702  44.704  2.7962  -0.7414551     4.534827 
1 1 1 -12 -1  37 o 45.221  2.3275  285.605   27.175    267.880   43.110    297.292   35.007    43.856  3.7046  46.586  2.8187  -2.729942      4.654996 
1 1 1 -12 -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 -1  39 o 23.999  2.8930  77.537    17.231    107.426   29.955    62.757    21.065    27.204  4.2501  20.794  3.9261  6.410316       5.785948 
1 1 1 -12 -1  40 o 24.438  3.1575  95.538    18.432    68.719    31.254    109.840   22.824    20.955  5.4993  27.920  3.1046  -6.965761      6.315092 
1 1 1 -12 -1  41 o 8.0290  2.6366  -13.8561  11.858    -2.6926   22.713    -18.0391  13.903    9.8933  4.3693  6.1646  2.9522  3.728632       5.273145 
1 1 1 -12 -1  42 o 12.749  3.3748  19.115    14.241    28.208    27.068    15.636    16.745    14.276  5.3055  11.221  4.1724  3.055150       6.749576 
1 1 1 -12 -1  43 o 15.123  3.5033  36.564    16.523    19.928    31.597    42.825    19.384    13.565  5.5255  16.681  4.3083  -3.116590      7.006550 
1 1 1 -12 -1  44 o 29.001  3.0625  118.140   21.588    160.351   39.924    100.700   25.663    32.009  4.8052  25.994  3.7980  6.014997       6.124910 
1 1 1 -12 -1  45 o 8.7802  4.2371  -34.2761  29.960    -34.2761  29.960    0.0000    0.0000    8.7802  4.2371  ?       ?       ?              ?        
1 1 1 -12 0   1  o 114.718 2.5511  1765.24   78.287    1671.37   111.144   1857.68   110.291   111.687 3.7153  117.750 3.4969  -6.063515      5.102179 
1 1 1 -12 0   2  o 270.534 5.0869  9820.55   368.562   9649.73   521.711   9990.73   520.741   268.180 7.2630  272.887 7.1244  -4.706940      10.17390 
1 1 1 -12 0   3  o 518.936 9.6111  36302.00  1335.73   35630.20  1889.09   36973.69  1888.93   514.103 13.719  523.769 13.464  -9.665894      19.22224 
1 1 1 -12 0   4  o 387.241 7.1814  20156.19  744.859   20324.63  1054.38   19988.39  1052.40   388.861 10.123  385.622 10.189  3.239014       14.36289 
1 1 1 -12 0   5  o 587.877 11.095  46697.21  1747.04   47096.14  2471.71   46298.95  2469.68   590.406 15.630  585.348 15.752  5.058411       22.19059 
1 1 1 -12 0   6  f 292.207 5.4858  11462.39  429.254   11757.48  607.402   11167.98  606.711   295.972 7.6619  288.441 7.8530  7.531128       10.97153 
1 1 1 -12 0   7  o 98.184  2.9011  1331.42   70.837    1405.78   87.081    1185.96   121.790   102.434 3.1739  93.934  4.8572  8.499596       5.802237 
1 1 1 -12 0   8  o 247.171 4.7424  8203.84   313.627   7770.50   443.915   8635.69   443.155   240.636 6.8873  253.705 6.5213  -13.06918      9.484889 
1 1 1 -12 0   9  o 142.721 2.9664  2732.14   113.311   2624.34   160.918   2838.15   159.582   139.924 4.2936  145.519 4.0943  -5.594086      5.932811 
1 1 1 -12 0   10 o 289.095 5.4513  11230.29  422.022   10975.51  597.586   11483.77  596.075   285.812 7.8060  292.378 7.6114  -6.566162      10.90268 
1 1 1 -12 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 0   12 o 189.624 3.7341  4825.85   189.638   4773.22   269.128   4877.75   267.260   188.594 5.3277  190.654 5.2336  -2.060669      7.468271 
1 1 1 -12 0   13 o 342.599 6.4495  15835.62  591.700   15466.37  837.588   16203.46  835.994   338.580 9.2359  346.617 9.0046  -8.037109      12.89901 
1 1 1 -12 0   14 f 245.230 4.6718  8090.24   306.791   8323.57   435.241   7859.83   432.509   248.756 6.5323  241.703 6.6807  7.053101       9.343615 
1 1 1 -12 0   15 o 95.675  2.2709  1226.54   58.070    1340.95   83.399    1118.87   80.906    100.006 3.1135  91.344  3.3068  8.662560       4.541889 
1 1 1 -12 0   16 o 215.951 4.2526  6279.81   245.803   6036.62   348.785   6519.77   346.463   211.771 6.1490  220.131 5.8761  -8.359863      8.505168 
1 1 1 -12 0   17 o 358.938 6.7904  17492.92  652.680   17095.62  924.291   17888.06  921.773   354.810 9.7258  363.065 9.4787  -8.255859      13.58076 
1 1 1 -12 0   18 f 118.237 2.6241  1875.91   83.081    1895.53   119.097   1857.32   115.955   118.837 3.7416  117.637 3.6801  1.199806       5.248134 
1 1 1 -12 0   19 o 97.731  2.3967  1286.09   62.522    1195.33   89.926    1371.01   86.986    94.373  3.5575  101.090 3.2126  -6.717468      4.793390 
1 1 1 -12 0   20 o 153.706 3.1645  3174.58   130.055   3434.96   186.112   2926.08   181.814   159.880 4.3460  147.532 4.6010  12.34756       6.329056 
1 1 1 -12 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 0   22 o 69.000  2.1581  648.851   39.213    547.094   57.174    739.230   53.882    63.757  3.3598  74.242  2.7096  -10.48532      4.316281 
1 1 1 -12 0   23 o 90.395  2.3163  1097.64   55.977    1081.09   81.362    1112.51   77.135    89.741  3.3849  91.049  3.1629  -1.308044      4.632647 
1 1 1 -12 0   24 o 136.151 3.0097  2500.84   109.401   2323.46   157.029   2668.14   152.503   131.417 4.4611  140.885 4.0413  -9.468140      6.019452 
1 1 1 -12 0   25 o 27.606  2.0904  102.439   15.130    117.162   22.681    90.634    20.310    29.400  2.9187  25.812  2.9932  3.588743       4.180721 
1 1 1 -12 0   26 o 91.949  2.3248  1133.08   57.170    1195.95   83.710    1078.12   78.266    94.331  3.3131  89.568  3.2624  4.762894       4.649681 
1 1 1 -12 0   27 o 16.687  2.6593  42.565    12.862    9.3400    19.757    67.005    16.945    11.234  4.4392  22.139  2.9294  -10.90444      5.318688 
1 1 1 -12 0   28 o 93.236  2.4013  1171.90   59.796    1157.34   87.656    1184.57   81.779    92.673  3.5313  93.800  3.2550  -1.127525      4.802651 
1 1 1 -12 0   29 o 23.481  2.2631  73.067    13.593    95.251    21.523    58.347    17.533    26.411  3.1015  20.551  3.2966  5.860729       4.526244 
1 1 1 -12 0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 0   31 o 39.385  2.0351  207.574   21.079    229.667   32.923    192.228   27.440    41.121  3.0100  37.650  2.7398  3.471672       4.070228 
1 1 1 -12 0   32 o 27.609  2.2117  103.091   15.847    113.044   24.958    96.369    20.512    28.686  3.3090  26.533  2.9354  2.152294       4.423351 
1 1 1 -12 0   33 o 68.337  2.2464  637.368   40.593    615.940   61.504    653.907   54.033    67.197  3.4286  69.478  2.9035  -2.280685      4.492839 
1 1 1 -12 0   34 o 87.173  2.3932  1031.12   55.639    1085.28   83.390    987.664   74.696    89.178  3.4911  85.168  3.2744  4.009438       4.786402 
1 1 1 -12 0   35 o 92.579  2.4866  1169.62   61.347    1211.87   92.155    1136.01   82.209    93.990  3.6606  91.168  3.3666  2.822304       4.973286 
1 1 1 -12 0   36 o 49.903  2.2193  335.765   29.018    374.545   46.321    310.717   37.228    52.164  3.3327  47.643  2.9315  4.521305       4.438521 
1 1 1 -12 0   37 o 31.788  2.5662  143.566   20.365    134.270   33.741    148.894   25.542    30.719  4.2116  32.856  2.9332  -2.137241      5.132374 
1 1 1 -12 0   38 o 23.019  5.2401  79.650    31.584    79.650    31.584    0.0000    0.0000    23.019  5.2401  ?       ?       ?              ?        
1 1 1 -12 0   39 f 16.574  3.1840  37.101    14.002    55.863    24.484    27.982    17.069    19.257  4.7713  13.891  4.2173  5.365620       6.367989 
1 1 1 -12 0   40 o 37.993  2.4945  201.601   24.378    222.495   40.187    189.436   30.665    39.305  3.8673  36.680  3.1518  2.624660       4.989005 
1 1 1 -12 0   41 o 20.443  3.3506  70.025    17.685    45.655    30.807    82.003    21.598    17.079  5.7202  23.808  3.4905  -6.728884      6.701122 
1 1 1 -12 0   42 o 18.121  3.4561  55.121    17.187    36.237    31.439    63.169    20.525    15.632  5.7341  20.611  3.8598  -4.979057      6.912150 
1 1 1 -12 0   43 o 34.124  2.8582  165.747   24.336    198.004   42.787    150.322   29.588    36.073  4.5282  32.176  3.4891  3.896729       5.716462 
1 1 1 -12 0   44 o 18.815  3.5818  69.564    21.551    3.3140    45.251    88.999    24.509    13.340  6.0095  24.290  3.8991  -10.94983      7.163555 
1 1 1 -12 0   45 o 22.987  3.7372  81.597    20.652    113.999   39.813    69.668    24.157    25.171  5.9916  20.804  4.4685  4.367373       7.474452 
1 1 1 -12 1   1  o 273.978 6.4935  10185.56  446.181   9784.33   774.937   10384.53  545.710   269.754 10.725  278.201 7.3234  -8.446747      12.98707 
1 1 1 -12 1   2  o 716.026 12.984  69474.16  2489.55   71339.98  3522.33   67611.66  3519.19   725.742 18.120  706.310 18.602  19.43256       25.96862 
1 1 1 -12 1   3  o 114.257 2.5030  1757.98   75.288    2186.09   108.521   1360.72   104.538   127.741 3.1717  100.773 3.8729  26.96801       5.005957 
1 1 1 -12 1   4  o 98.543  2.2411  1298.92   59.093    1381.83   85.331    1222.52   81.915    101.560 3.1369  95.526  3.2015  6.034286       4.482136 
1 1 1 -12 1   5  o 274.065 5.1525  10079.39  378.126   10393.01  536.113   9768.94   533.399   278.315 7.1917  269.816 7.3807  8.498749       10.30508 
1 1 1 -12 1   6  o 389.670 7.2133  20426.09  752.120   21514.01  1065.06   19343.89  1062.26   400.064 9.9394  379.276 10.456  20.78812       14.42666 
1 1 1 -12 1   7  o 206.852 4.0058  5738.46   221.844   5951.06   314.549   5528.04   312.928   210.669 5.5744  203.035 5.7542  7.633896       8.011530 
1 1 1 -12 1   8  o 390.491 7.2831  20528.63  760.909   19411.87  1076.04   21645.61  1076.14   379.813 10.577  401.169 10.015  -21.35645      14.56629 
1 1 1 -12 1   9  o 177.473 3.6069  4238.92   170.568   3749.82   241.592   4725.03   240.850   167.215 5.3941  187.731 4.7898  -20.51590      7.213783 
1 1 1 -12 1   10 o 187.991 3.7190  4744.21   187.068   4510.20   265.255   4975.76   263.858   183.367 5.4007  192.615 5.1144  -9.247360      7.438054 
1 1 1 -12 1   11 o 174.798 5.0040  4116.08   233.591   3793.84   332.911   4428.58   327.841   168.015 7.3976  181.581 6.7407  -13.56590      10.00810 
1 1 1 -12 1   12 o 66.490  2.0726  608.018   35.669    443.409   51.053    764.992   49.855    57.419  3.3339  75.561  2.4633  -18.14179      4.145186 
1 1 1 -12 1   13 o 273.418 5.2145  10064.31  381.755   9793.64   540.880   10333.00  538.893   269.733 7.4865  277.102 7.2606  -7.369812      10.42900 
1 1 1 -12 1   14 o 81.372  2.1295  890.609   46.256    825.241   66.385    952.290   64.487    78.456  3.1590  84.288  2.8564  -5.831474      4.258932 
1 1 1 -12 1   15 o 140.378 2.9477  2643.98   110.811   2722.04   158.122   2568.64   155.335   142.415 4.1452  138.341 4.1921  4.074493       5.895447 
1 1 1 -12 1   16 o 122.240 2.6967  2006.82   88.223    1948.59   126.080   2062.69   123.491   120.495 3.9065  123.985 3.7186  -3.489853      5.393393 
1 1 1 -12 1   17 o 70.179  2.0036  660.217   37.625    664.326   54.518    656.480   51.992    70.386  2.8918  69.972  2.7741  0.4132767      4.007277 
1 1 1 -12 1   18 o 194.349 3.8272  5082.27   199.117   5319.20   283.583   4851.87   279.646   198.831 5.3248  189.867 5.4988  8.964478       7.654482 
1 1 1 -12 1   19 o 231.492 4.4870  7227.31   278.203   7227.58   395.350   7227.04   391.555   231.489 6.3762  231.496 6.3148  -0.7049561E-02 8.974003 
1 1 1 -12 1   20 f 124.297 2.7592  2075.76   91.799    2046.55   131.711   2103.36   128.014   123.439 3.9837  125.155 3.8188  -1.716072      5.518380 
1 1 1 -12 1   21 o 122.444 3.3119  2021.97   104.002   2036.38   129.840   1996.17   173.723   123.129 3.9369  121.760 5.3268  1.369766       6.623743 
1 1 1 -12 1   22 o 68.062  2.0890  620.702   37.995    632.193   55.884    610.823   51.812    68.644  3.0395  67.480  2.8666  1.163353       4.177988 
1 1 1 -12 1   23 o 46.874  1.9488  294.044   24.255    313.435   36.406    278.567   32.524    48.254  2.8291  45.494  2.6810  2.760105       3.897610 
1 1 1 -12 1   24 o 127.782 2.8393  2197.28   97.053    2147.60   139.877   2243.41   134.772   126.373 4.1324  129.191 3.8947  -2.817535      5.678532 
1 1 1 -12 1   25 o 33.988  2.0028  154.255   17.933    171.636   27.480    141.361   23.668    35.639  2.9040  32.337  2.7590  3.302170       4.005666 
1 1 1 -12 1   26 o 100.589 2.4343  1355.18   65.425    1493.82   95.768    1233.86   89.591    105.399 3.3923  95.779  3.4923  9.620651       4.868641 
1 1 1 -12 1   27 o 69.411  2.1315  642.677   39.467    709.701   59.099    588.722   53.025    72.650  3.0370  66.173  2.9916  6.477318       4.263044 
1 1 1 -12 1   28 o 67.098  2.2186  617.130   39.096    525.817   57.834    693.977   53.056    62.359  3.4764  71.836  2.7574  -9.477139      4.437158 
1 1 1 -12 1   29 o 44.479  2.0357  267.816   23.813    265.879   36.625    269.235   31.343    44.303  3.1060  44.654  2.6322  -0.3508492     4.071314 
1 1 1 -12 1   30 o 43.789  2.3503  259.118   27.193    247.299   36.183    274.460   41.223    42.668  3.1890  44.910  3.4534  -2.241928      4.700653 
1 1 1 -12 1   31 o 50.295  2.0615  338.015   27.404    379.880   42.366    307.897   35.934    52.924  3.0010  47.665  2.8272  5.259232       4.122975 
1 1 1 -12 1   32 o 38.043  2.0893  193.900   20.827    215.713   32.900    179.314   26.903    39.775  3.1130  36.311  2.7874  3.464256       4.178561 
1 1 1 -12 1   33 o 34.271  2.1397  157.096   19.187    182.461   30.256    140.035   24.814    36.529  3.1223  32.012  2.9264  4.517193       4.279337 
1 1 1 -12 1   34 o 61.360  2.1762  507.741   35.395    549.931   54.468    476.902   46.568    63.465  3.2147  59.255  2.9341  4.209656       4.352375 
1 1 1 -12 1   35 o 24.545  2.6538  85.960    16.320    78.600    26.007    90.741    20.961    23.479  4.2938  25.612  3.1200  -2.132761      5.307627 
1 1 1 -12 1   36 o 40.608  2.2473  221.035   23.801    260.317   38.411    196.552   30.324    43.417  3.3284  37.799  3.0204  5.617435       4.494515 
1 1 1 -12 1   37 o 43.392  2.8999  259.146   33.510    0.0000    0.0000    259.146   33.510    ?       ?       43.392  2.8999  ?              ?        
1 1 1 -12 1   38 o 15.886  3.3775  32.913    15.083    52.789    26.321    23.194    18.405    18.721  5.1073  13.052  4.4212  5.669058       6.755080 
1 1 1 -12 1   39 o 35.668  2.5408  178.147   23.193    191.618   38.285    170.337   29.151    36.496  3.9810  34.840  3.1581  1.656551       5.081542 
1 1 1 -12 1   40 o 36.347  2.5365  182.144   23.640    218.844   39.673    161.941   29.436    38.919  3.8566  33.775  3.2958  5.143417       5.072997 
1 1 1 -12 1   41 o 8.6711  2.5448  -7.5295   12.761    -71.6924  24.787    15.612    14.886    6.3569  3.1992  10.985  3.9583  -4.628522      5.089532 
1 1 1 -12 1   42 o 22.099  3.5356  79.525    19.214    68.944    35.103    84.051    22.959    20.282  6.0235  23.915  3.7040  -3.632404      7.071202 
1 1 1 -12 1   43 o 14.830  3.6474  34.468    17.672    21.770    32.946    39.598    20.940    13.788  5.6323  15.871  4.6357  -2.082452      7.294701 
1 1 1 -12 1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 2   2  o 293.245 6.8452  11691.45  503.863   11153.30  871.965   11961.21  617.370   287.946 11.306  298.545 7.7205  -10.59866      13.69037 
1 1 1 -12 2   3  o 460.871 8.5379  28599.89  1053.45   27614.42  1490.42   29583.74  1489.20   452.893 12.286  468.848 11.859  -15.95511      17.07573 
1 1 1 -12 2   4  o 128.686 2.7768  2233.26   94.608    2641.24   134.480   1833.48   133.123   140.403 3.5760  116.969 4.2491  23.43407       5.553571 
1 1 1 -12 2   5  o 233.289 4.4607  7301.80   278.536   7636.39   394.664   6969.75   393.158   238.623 6.1749  227.955 6.4391  10.66724       8.921409 
1 1 1 -12 2   6  o 267.940 5.0504  9641.64   361.875   10297.56  512.867   8991.30   510.676   277.039 6.9115  258.840 7.3659  18.19910       10.10077 
1 1 1 -12 2   7  o 216.893 4.1941  6310.01   243.615   6198.87   345.102   6420.42   343.948   214.986 5.9931  218.800 5.8689  -3.814651      8.388128 
1 1 1 -12 2   8  o 141.282 2.9681  2679.76   112.092   2495.60   159.104   2861.26   157.947   136.451 4.3533  146.114 4.0358  -9.663406      5.936231 
1 1 1 -12 2   9  o 351.999 6.5670  16665.71  619.137   16542.93  876.390   16788.05  874.795   350.698 9.3299  353.300 9.2443  -2.602631      13.13406 
1 1 1 -12 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 2   11 o 147.565 3.1152  2928.95   122.663   2651.88   174.220   3201.32   172.734   140.613 4.6257  154.516 4.1736  -13.90282      6.230310 
1 1 1 -12 2   12 f 195.436 3.8326  5127.27   200.617   5194.59   284.925   5061.09   282.521   196.709 5.4078  194.163 5.4324  2.546234       7.665197 
1 1 1 -12 2   13 f 164.618 3.3476  3636.95   147.597   3667.49   209.992   3607.12   207.499   165.301 4.7428  163.936 4.7255  1.364761       6.695168 
1 1 1 -12 2   14 o 213.431 4.1456  6124.32   236.986   6195.35   336.582   6054.49   333.733   214.660 5.8540  212.203 5.8716  2.456833       8.291269 
1 1 1 -12 2   15 o 99.555  2.4017  1333.20   63.854    1240.79   91.493    1420.97   89.160    96.175  3.5517  102.936 3.2338  -6.760963      4.803349 
1 1 1 -12 2   16 o 115.617 2.5874  1792.60   80.098    1854.80   114.815   1733.64   111.798   117.570 3.6459  113.664 3.6722  3.906349       5.174720 
1 1 1 -12 2   17 o 67.467  1.9797  608.481   35.640    687.041   51.864    538.188   49.059    71.583  2.7050  63.351  2.8912  8.232533       3.959312 
1 1 1 -12 2   18 f 153.056 3.1857  3148.52   130.565   3128.73   186.466   3167.55   182.880   152.577 4.5627  153.535 4.4471  -0.9573517     6.371378 
1 1 1 -12 2   19 o 84.746  2.1915  961.636   49.698    1014.72   72.104    913.594   68.595    86.970  3.0953  82.522  3.1033  4.447769       4.383088 
1 1 1 -12 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 2   21 o 241.305 4.6536  7861.94   300.725   8070.57   428.008   7658.52   422.622   244.480 6.5361  238.130 6.6260  6.349731       9.307216 
1 1 1 -12 2   22 o 149.853 3.1595  3017.62   126.774   3112.85   181.946   2927.77   176.738   152.150 4.4646  147.556 4.4718  4.593445       6.318993 
1 1 1 -12 2   23 o 114.201 2.6936  1759.38   82.059    1632.16   118.477   1876.69   113.763   110.197 4.0140  118.206 3.5931  -8.009270      5.387276 
1 1 1 -12 2   24 o 96.224  2.4402  1248.46   62.632    1177.86   91.160    1311.58   86.197    93.622  3.6353  98.827  3.2563  -5.204887      4.880462 
1 1 1 -12 2   25 o 58.641  2.0299  461.909   31.693    466.712   47.112    457.938   42.835    58.874  2.9975  58.407  2.7380  0.4675026      4.059768 
1 1 1 -12 2   26 o 69.157  2.1427  642.034   39.513    650.850   58.901    634.819   53.281    69.578  3.1605  68.737  2.8940  0.8407516      4.285332 
1 1 1 -12 2   27 o 46.305  2.1416  297.110   25.678    245.446   38.767    337.492   34.274    42.554  3.4303  50.056  2.5650  -7.501289      4.283264 
1 1 1 -12 2   28 o 29.249  2.3104  123.247   16.652    87.209    25.346    150.618   22.088    25.116  3.8936  33.382  2.4882  -8.265648      4.620770 
1 1 1 -12 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 2   30 o 39.263  2.0503  210.026   21.102    204.059   32.415    214.415   27.798    38.727  3.1523  39.798  2.6225  -1.070763      4.100540 
1 1 1 -12 2   31 o 72.315  2.2043  702.346   42.461    762.792   64.301    655.609   56.542    75.030  3.1996  69.601  3.0330  5.429871       4.408643 
1 1 1 -12 2   32 o 34.238  2.1280  154.806   18.986    193.944   30.281    129.453   24.372    37.709  3.0235  30.767  2.9955  6.942308       4.256090 
1 1 1 -12 2   33 o 53.974  2.2329  404.547   31.363    354.133   48.069    441.918   41.386    50.821  3.5536  57.127  2.7047  -6.306561      4.465841 
1 1 1 -12 2   34 f 41.446  2.1661  232.610   23.526    249.071   37.040    221.479   30.459    42.607  3.2706  40.285  2.8410  2.322243       4.332201 
1 1 1 -12 2   35 o 24.635  2.6258  82.100    16.457    103.313   26.663    69.045    20.917    27.140  3.7696  22.131  3.6563  5.008688       5.251558 
1 1 1 -12 2   36 o 17.939  3.1193  40.733    14.525    70.574    25.829    26.929    17.567    22.037  4.5272  13.841  4.2924  8.196251       6.238613 
1 1 1 -12 2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 2   38 o 25.621  2.8039  90.647    18.000    110.918   30.555    79.872    22.276    27.618  4.2682  23.624  3.6372  3.993990       5.607745 
1 1 1 -12 2   39 o 16.864  3.4497  40.128    15.489    53.578    28.135    34.278    18.554    18.567  5.3592  15.160  4.3452  3.407241       6.899443 
1 1 1 -12 2   40 o 26.627  3.1261  107.069   19.953    102.794   35.047    109.120   24.270    25.642  5.2788  27.613  3.3502  -1.970692      6.252178 
1 1 1 -12 2   41 f 38.630  2.6175  208.170   25.773    247.648   43.943    187.467   31.822    41.049  4.0495  36.212  3.3177  4.836922       5.235015 
1 1 1 -12 2   42 o 13.277  3.4507  24.325    15.307    20.100    29.027    25.952    18.015    13.304  5.3398  13.251  4.3721  0.5278873E-01  6.901360 
1 1 1 -12 2   43 o 22.600  3.7198  79.649    20.597    95.200    38.105    73.230    24.482    23.466  6.0299  21.733  4.3574  1.732637       7.439543 
1 1 1 -12 2   44 f 23.824  3.7436  93.640    21.484    101.635   40.326    90.472    25.387    23.471  6.2878  24.177  4.0646  -0.7062511     7.487168 
1 1 1 -12 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 3   2  o 210.117 5.0883  6034.19   267.423   5606.58   462.635   6248.77   327.721   204.349 8.4523  215.885 5.6675  -11.53558      10.17659 
1 1 1 -12 3   3  o 533.904 9.8222  38440.03  1404.52   39008.10  1987.18   37872.97  1985.40   537.871 13.793  529.937 13.987  7.934387       19.64439 
1 1 1 -12 3   4  o 152.873 3.1213  3133.24   127.751   3037.60   181.108   3227.96   180.230   150.548 4.4913  155.198 4.3356  -4.649384      6.242562 
1 1 1 -12 3   5  o 197.594 3.8529  5236.10   203.777   5476.64   288.995   4998.24   287.379   202.113 5.3384  193.075 5.5570  9.037903       7.705743 
1 1 1 -12 3   6  o 399.173 7.4030  21433.08  791.502   21301.79  1119.99   21564.06  1118.71   397.946 10.508  400.401 10.431  -2.454987      14.80606 
1 1 1 -12 3   7  o 248.308 4.7517  8275.39   315.937   8056.99   447.469   8492.49   446.138   245.033 6.8179  251.582 6.6206  -6.549484      9.503489 
1 1 1 -12 3   8  o 114.395 2.6012  1763.29   79.159    1538.40   112.602   1983.04   111.306   107.138 3.9238  121.651 3.4160  -14.51231      5.202426 
1 1 1 -12 3   9  o 154.581 3.2375  3216.42   133.359   2855.78   189.296   3571.78   187.907   145.933 4.8428  163.228 4.2979  -17.29420      6.474959 
1 1 1 -12 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 3   11 o 141.726 2.9789  2693.96   113.065   2676.46   161.065   2710.97   158.758   141.270 4.2566  142.182 4.1687  -0.9118195     5.957887 
1 1 1 -12 3   12 o 285.874 6.3466  10775.64  461.908   11820.39  803.018   10259.03  564.678   295.708 10.139  276.041 7.6373  19.66711       12.69319 
1 1 1 -12 3   13 o 183.129 3.6847  4504.42   180.738   4489.49   255.252   4519.44   255.955   182.824 5.2125  183.434 5.2095  -0.6090393     7.369461 
1 1 1 -12 3   14 o 155.846 3.1878  3260.92   133.054   3198.80   187.745   3323.61   188.592   154.352 4.5412  157.340 4.4750  -2.988327      6.375592 
1 1 1 -12 3   15 o 116.989 2.5484  1836.81   79.830    1884.87   112.645   1788.33   113.149   118.530 3.5481  115.448 3.6591  3.081802       5.096859 
1 1 1 -12 3   16 o 200.433 4.0121  5409.04   215.253   5627.02   304.284   5190.70   304.544   204.497 5.5553  196.369 5.7901  8.128250       8.024119 
1 1 1 -12 3   17 o 172.078 3.4356  3981.16   158.346   4009.26   223.641   3952.90   224.232   172.690 4.8350  171.465 4.8824  1.224655       6.871288 
1 1 1 -12 3   18 o 62.862  1.9091  530.035   32.137    538.887   45.208    520.993   45.692    63.394  2.6624  62.331  2.7368  1.063606       3.818216 
1 1 1 -12 3   19 o 105.237 2.4365  1486.79   68.661    1519.52   96.837    1453.70   97.368    106.405 3.3977  104.069 3.4931  2.336288       4.873021 
1 1 1 -12 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 3   21 o 253.105 4.9475  8663.21   335.366   8824.09   474.223   8502.26   474.336   255.479 6.9301  250.731 7.0630  4.747772       9.895036 
1 1 1 -12 3   22 o 99.968  2.9272  1322.76   73.571    1402.36   130.296   1285.51   89.141    102.083 4.7653  97.853  3.4011  4.229980       5.854491 
1 1 1 -12 3   23 o 102.456 2.4995  1411.89   68.442    1379.18   99.492    1441.27   94.300    101.317 3.6662  103.596 3.3984  -2.279099      4.999052 
1 1 1 -12 3   24 o 65.262  2.1072  574.084   36.595    549.575   54.273    594.516   49.554    63.969  3.1676  66.554  2.7798  -2.585850      4.214367 
1 1 1 -12 3   25 o 104.054 2.5367  1457.70   70.540    1438.45   102.889   1474.77   96.899    103.388 3.7154  104.719 3.4546  -1.330856      5.073350 
1 1 1 -12 3   26 o 93.103  2.4346  1167.83   60.506    1153.99   89.045    1179.70   82.470    92.569  3.5913  93.637  3.2882  -1.067451      4.869284 
1 1 1 -12 3   27 o 76.280  2.2498  785.610   45.684    763.075   67.936    804.214   61.725    75.254  3.3704  77.307  2.9810  -2.053169      4.499521 
1 1 1 -12 3   28 f 44.308  2.1354  272.354   24.467    229.644   37.341    304.484   32.388    41.107  3.4225  47.509  2.5546  -6.401569      4.270763 
1 1 1 -12 3   29 o 33.901  4.2551  158.622   37.786    158.622   37.786    0.0000    0.0000    33.901  4.2551  ?       ?       ?              ?        
1 1 1 -12 3   30 o 38.607  2.0590  199.769   20.906    220.620   32.574    185.166   27.260    40.281  3.0416  36.933  2.7760  3.348541       4.117917 
1 1 1 -12 3   31 o 22.525  2.4801  66.314    14.046    93.675    23.297    50.687    17.606    26.045  3.4223  19.004  3.5904  7.041752       4.960127 
1 1 1 -12 3   32 o 152.400 3.3235  3202.77   135.517   3310.67   197.322   3106.44   186.440   154.766 4.7600  150.033 4.6394  4.733047       6.646962 
1 1 1 -12 3   33 o 55.108  2.2245  417.353   32.165    394.228   49.486    434.269   42.324    53.630  3.4635  56.586  2.7925  -2.956924      4.449017 
1 1 1 -12 3   34 o 20.292  2.7655  51.192    14.077    95.067    24.566    29.741    17.177    26.092  3.6119  14.491  4.1888  11.60091       5.530995 
1 1 1 -12 3   35 o 33.600  2.4495  157.894   20.977    152.313   33.916    161.352   26.695    32.944  3.9205  34.256  2.9378  -1.311867      4.899100 
1 1 1 -12 3   36 o 45.449  2.4522  293.341   28.251    264.181   46.012    310.987   35.793    43.306  4.0123  47.593  2.8204  -4.286659      4.904421 
1 1 1 -12 3   37 o 33.401  2.5784  155.603   21.882    165.026   36.391    150.266   27.385    33.978  4.0802  32.825  3.1536  1.152950       5.156872 
1 1 1 -12 3   38 o 36.540  2.5418  185.379   23.649    205.075   39.832    174.656   29.390    37.777  3.9972  35.303  3.1410  2.474743       5.083630 
1 1 1 -12 3   39 o 53.897  2.4369  407.150   34.079    433.676   55.434    391.034   43.208    54.986  3.7869  52.808  3.0680  2.178589       4.873784 
1 1 1 -12 3   40 o 28.192  3.1823  120.228   21.401    117.075   37.958    121.697   25.912    27.258  5.3900  29.126  3.3846  -1.867712      6.364587 
1 1 1 -12 3   41 o 29.243  3.4523  147.374   22.943    90.655    39.339    176.613   28.245    23.173  6.2115  35.313  3.0151  -12.13952      6.904559 
1 1 1 -12 3   42 o 40.183  2.8290  230.012   28.477    271.366   50.181    210.367   34.586    42.238  4.5050  38.127  3.4232  4.111523       5.658007 
1 1 1 -12 3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 4   1  o 310.735 8.2836  12963.34  689.440   0.0000    0.0000    12963.34  689.440   ?       ?       310.735 8.2836  ?              ?        
1 1 1 -12 4   2  o 88.566  2.2068  1056.61   52.019    930.280   74.188    1178.79   72.959    83.328  3.3239  93.804  2.9038  -10.47625      4.413690 
1 1 1 -12 4   3  f 60.782  1.9463  506.524   30.728    377.064   43.939    630.445   42.989    52.960  3.1112  68.604  2.3395  -15.64375      3.892638 
1 1 1 -12 4   4  o 203.882 3.9357  5573.94   214.911   5640.81   303.532   5506.72   304.331   205.111 5.5249  202.654 5.6066  2.456116       7.871412 
1 1 1 -12 4   5  o 319.786 5.9588  13734.63  510.365   13558.55  721.103   13911.36  722.429   317.727 8.4733  321.844 8.3803  -4.117401      11.91751 
1 1 1 -12 4   6  o 113.948 2.4879  1739.76   75.929    1734.77   106.951   1744.83   107.814   113.783 3.5093  114.112 3.5274  -0.3293228     4.975705 
1 1 1 -12 4   7  o 197.169 3.8983  5213.94   205.873   5241.88   290.709   5185.83   291.589   197.701 5.4899  196.638 5.5362  1.062180       7.796698 
1 1 1 -12 4   8  o 270.883 5.1562  9855.63   374.068   10014.14  528.655   9696.69   529.369   273.071 7.2278  268.695 7.3555  4.376160       10.31234 
1 1 1 -12 4   9  o 126.681 5.5303  2153.27   187.648   0.0000    0.0000    2153.27   187.648   ?       ?       126.681 5.5303  ?              ?        
1 1 1 -12 4   10 o 127.323 2.7075  2173.36   92.332    2170.94   130.141   2175.82   131.019   127.252 3.8182  127.394 3.8397  -0.1421509     5.414979 
1 1 1 -12 4   11 o 241.978 4.5759  7870.31   296.556   7749.25   418.819   7992.04   419.972   240.106 6.5123  243.850 6.4300  -3.743591      9.151735 
1 1 1 -12 4   12 o 226.391 4.4284  6892.08   268.510   6977.88   379.334   6805.91   380.128   227.809 6.2167  224.972 6.3083  2.837830       8.856765 
1 1 1 -12 4   13 o 121.562 2.6488  1982.76   86.228    2020.03   121.551   1945.00   122.342   122.715 3.6981  120.409 3.7934  2.305542       5.297679 
1 1 1 -12 4   14 o 215.028 4.2246  6222.30   243.308   6272.43   343.667   6171.93   344.513   215.902 5.9428  214.154 6.0061  1.747543       8.449261 
1 1 1 -12 4   15 o 161.208 3.2068  3491.04   138.463   3452.04   195.363   3530.40   196.274   160.302 4.5500  162.114 4.5201  -1.812393      6.413611 
1 1 1 -12 4   16 o 347.160 6.5187  16363.66  606.005   15935.19  856.213   16793.75  857.832   342.548 9.3319  351.772 9.1044  -9.224274      13.03744 
1 1 1 -12 4   17 o 147.575 3.0834  2926.40   121.873   2953.73   171.969   2898.84   172.743   148.271 4.3302  146.880 4.3909  1.390747       6.166857 
1 1 1 -12 4   18 o 195.547 3.9134  5151.61   204.858   5341.13   289.469   4961.45   289.959   199.172 5.4260  191.921 5.6406  7.250778       7.826755 
1 1 1 -12 4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 4   20 f 116.145 2.6001  1811.29   80.878    1775.26   113.997   1847.80   114.763   114.980 3.7015  117.310 3.6524  -2.329552      5.200136 
1 1 1 -12 4   21 o 72.822  2.0358  711.372   39.687    680.942   55.793    742.540   56.465    71.243  2.9238  74.400  2.8335  -3.156570      4.071518 
1 1 1 -12 4   22 o 52.769  1.8834  374.111   26.559    377.658   37.108    370.385   38.030    53.062  2.6110  52.475  2.7150  0.5866585      3.766736 
1 1 1 -12 4   23 o 101.665 2.4023  1389.21   65.371    1444.07   92.238    1333.84   92.660    103.690 3.3211  99.640  3.4719  4.049454       4.804583 
1 1 1 -12 4   24 o 28.971  1.9649  113.610   15.052    108.753   20.962    118.780   21.627    28.324  2.7997  29.618  2.7579  -1.294119      3.929896 
1 1 1 -12 4   25 o 57.252  1.9533  440.418   29.944    445.975   41.980    434.663   42.725    57.623  2.7200  56.882  2.8043  0.7406769      3.906695 
1 1 1 -12 4   26 o 83.962  2.2036  948.825   49.545    969.450   69.898    927.999   70.238    84.885  3.0743  83.040  3.1579  1.845078       4.407199 
1 1 1 -12 4   27 o 41.202  1.8857  230.041   20.621    248.169   28.867    211.153   29.466    42.890  2.5239  39.514  2.8022  3.375618       3.771313 
1 1 1 -12 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 4   29 o 92.347  2.3161  1153.86   57.289    1150.33   80.759    1157.44   81.281    92.206  3.2700  92.488  3.2811  -0.2810974     4.632294 
1 1 1 -12 4   30 o 13.357  2.7493  26.592    11.806    -1.2454   21.812    38.126    14.040    10.228  4.4020  16.486  3.2948  -6.258278      5.498505 
1 1 1 -12 4   31 o 119.057 2.8074  1932.28   89.331    2026.63   131.737   1851.97   121.543   121.695 4.0415  116.420 3.8978  5.275291       5.614854 
1 1 1 -12 4   32 o 53.280  2.1599  384.871   30.314    398.695   47.030    375.046   39.649    54.032  3.2650  52.527  2.8286  1.504887       4.319848 
1 1 1 -12 4   33 o 52.959  2.2203  383.938   30.758    380.626   48.250    386.205   39.921    52.659  3.4397  53.260  2.8084  -0.6011009     4.440574 
1 1 1 -12 4   34 o 10.080  2.8311  8.0583    10.949    7.8398    18.875    8.1692    13.442    10.650  4.2949  9.5096  3.6897  1.140534       5.662180 
1 1 1 -12 4   35 o 11.343  2.9844  13.992    12.682    -1.7813   22.088    21.750    15.490    10.095  4.3870  12.592  4.0474  -2.497058      5.968840 
1 1 1 -12 4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 4   37 o 16.100  3.2689  32.433    14.573    59.635    25.987    19.955    17.601    19.881  4.9094  12.319  4.3175  7.561851       6.537852 
1 1 1 -12 4   38 o 23.889  3.2206  89.369    18.673    72.575    31.798    98.210    23.070    21.514  5.4976  26.264  3.3562  -4.749771      6.441104 
1 1 1 -12 4   39 o 10.235  2.8101  -11.0084  11.715    33.649    22.994    -26.6644  13.615    15.012  4.9388  5.4579  2.6822  9.554235       5.620144 
1 1 1 -12 4   40 o 20.448  3.3761  74.181    18.514    35.016    32.906    92.322    22.396    15.598  5.8392  25.298  3.3905  -9.699527      6.752139 
1 1 1 -12 4   41 o 23.151  3.5409  85.656    20.077    80.714    35.844    87.916    24.236    21.938  5.9497  24.364  3.8410  -2.426205      7.081809 
1 1 1 -12 4   42 o 40.735  2.7954  239.340   28.617    274.325   49.847    222.141   34.950    42.337  4.4630  39.132  3.3672  3.204552       5.590703 
1 1 1 -12 4   43 o 18.549  3.9357  54.913    19.355    75.616    37.262    47.264    22.650    20.175  6.2507  16.924  4.7840  3.250799       7.871329 
1 1 1 -12 5   1  o 391.427 7.2867  20603.11  763.904   20889.06  1079.94   20316.75  1080.71   394.157 10.229  388.697 10.380  5.459839       14.57346 
1 1 1 -12 5   2  o 246.609 4.7117  8158.65   311.225   8166.60   440.093   8150.69   440.184   246.730 6.6594  246.488 6.6673  0.2410431      9.423376 
1 1 1 -12 5   3  o 88.510  2.1038  1049.56   49.874    1059.41   70.495    1039.68   70.570    88.926  2.9597  88.093  2.9908  0.8324127      4.207676 
1 1 1 -12 5   4  o 348.544 6.4700  16325.72  604.009   16187.86  853.821   16463.81  854.575   347.067 9.1847  350.022 9.1152  -2.954834      12.94007 
1 1 1 -12 5   5  o 139.099 2.9048  2593.13   108.225   2595.09   152.801   2591.16   153.305   139.152 4.0997  139.046 4.1163  0.1059570      5.809614 
1 1 1 -12 5   6  o 166.147 3.3677  3701.03   149.867   3728.95   211.695   3672.99   212.193   166.775 4.7390  165.518 4.7863  1.257889       6.735495 
1 1 1 -12 5   7  o 267.078 5.0857  9579.47   363.801   9654.14   514.232   9504.65   514.752   268.123 7.1604  266.033 7.2239  2.090454       10.17134 
1 1 1 -12 5   8  o 71.985  1.9535  694.596   37.649    713.838   53.034    675.047   53.456    72.992  2.7126  70.979  2.8118  2.012154       3.906968 
1 1 1 -12 5   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 5   10 o 344.449 6.4054  16000.21  590.916   15751.16  835.144   16249.90  836.221   341.747 9.1236  347.150 8.9932  -5.402771      12.81087 
1 1 1 -12 5   11 o 87.468  2.1596  1026.12   50.564    1063.17   71.295    988.624   71.725    89.059  2.9888  85.877  3.1182  3.182343       4.319255 
1 1 1 -12 5   12 o 224.121 4.3278  6756.37   259.800   6758.69   367.065   6754.05   367.760   224.161 6.1136  224.082 6.1273  0.7904053E-01  8.655604 
1 1 1 -12 5   13 o 99.529  2.3406  1328.56   62.395    1327.51   87.937    1329.63   88.547    99.490  3.2999  99.568  3.3202  -0.7870483E-01 4.681163 
1 1 1 -12 5   14 f 136.244 2.8558  2491.94   104.204   2439.33   146.999   2545.07   147.738   134.796 4.0714  137.692 4.0059  -2.895859      5.711682 
1 1 1 -12 5   15 o 284.018 5.3810  10902.53  409.349   10914.07  578.559   10890.96  579.256   284.171 7.6011  283.864 7.6185  0.3069763      10.76193 
1 1 1 -12 5   16 o 208.500 4.0863  5855.05   228.202   5799.18   322.307   5911.20   323.148   207.499 5.7992  209.501 5.7587  -2.002747      8.172695 
1 1 1 -12 5   17 f 15.856  2.1642  36.024    8.7927    50.285    12.375    21.483    12.496    19.210  2.4617  12.501  3.5602  6.708707       4.328341 
1 1 1 -12 5   18 o 308.111 5.8642  12878.09  483.926   12696.21  683.822   13060.56  684.930   305.907 8.3457  310.315 8.2405  -4.408356      11.72849 
1 1 1 -12 5   19 o 162.213 6.7631  3555.10   293.848   3555.10   293.848   0.0000    0.0000    162.213 6.7631  ?       ?       ?              ?        
1 1 1 -12 5   20 o 84.226  2.1646  951.852   48.829    951.157   68.649    952.564   69.468    84.196  3.0441  84.256  3.0782  -0.6047821E-01 4.329134 
1 1 1 -12 5   21 o 34.186  1.8481  157.419   16.780    150.976   23.194    164.495   24.307    33.450  2.6094  34.923  2.6176  -1.473118      3.696107 
1 1 1 -12 5   22 o 139.258 2.9605  2608.66   110.421   2631.28   155.783   2585.82   156.539   139.869 4.1583  138.647 4.2152  1.221512       5.921084 
1 1 1 -12 5   23 o 93.740  2.3154  1180.50   58.134    1172.15   81.794    1189.03   82.640    93.406  3.2693  94.075  3.2796  -0.6691284     4.630824 
1 1 1 -12 5   24 o 151.806 3.1496  3108.87   128.040   3028.29   180.634   3190.25   181.523   149.817 4.5014  153.795 4.4066  -3.977783      6.299247 
1 1 1 -12 5   25 o 150.298 3.1630  3053.02   127.315   3107.95   179.799   2997.78   180.302   151.668 4.4259  148.928 4.5200  2.740433       6.326070 
1 1 1 -12 5   26 o 95.819  2.3571  1237.24   60.492    1224.33   85.222    1250.35   85.879    95.315  3.3381  96.324  3.3286  -1.008926      4.714138 
1 1 1 -12 5   27 o 51.188  1.8958  353.703   25.893    355.702   36.210    351.610   37.039    51.342  2.6421  51.034  2.7195  0.3083878      3.791559 
1 1 1 -12 5   28 o 43.356  2.2591  259.802   24.640    270.203   30.681    240.907   41.352    44.714  2.5726  41.998  3.7143  2.715324       4.518214 
1 1 1 -12 5   29 o 43.926  1.8911  261.598   22.120    269.435   30.915    253.378   31.664    44.617  2.5982  43.235  2.7485  1.381786       3.782129 
1 1 1 -12 5   30 o 31.849  1.9491  138.247   16.445    140.762   22.877    135.559   23.655    32.166  2.6797  31.533  2.8310  0.6331463      3.898120 
1 1 1 -12 5   31 f 39.069  1.9268  207.637   20.030    211.873   28.182    203.314   28.474    39.483  2.6807  38.655  2.7684  0.8281326      3.853601 
1 1 1 -12 5   32 o 55.636  1.9691  420.348   29.296    417.470   41.289    423.266   41.574    55.409  2.7911  55.863  2.7785  -0.4540749     3.938270 
1 1 1 -12 5   33 o 25.708  2.1055  90.962    14.189    82.627    19.602    100.137   20.565    24.437  3.0620  26.980  2.8909  -2.542431      4.211016 
1 1 1 -12 5   34 o 25.815  2.9805  93.048    18.055    99.456    33.952    90.521    21.319    26.115  5.0363  25.515  3.1891  0.6005630      5.961064 
1 1 1 -12 5   35 o 27.145  3.3603  103.178   23.910    0.0000    0.0000    103.178   23.910    ?       ?       27.145  3.3603  ?              ?        
1 1 1 -12 5   36 o 13.492  3.2862  24.984    14.266    16.842    24.994    28.919    17.374    12.835  5.0170  14.149  4.2457  -1.313864      6.572424 
1 1 1 -12 5   37 o 22.508  3.0603  68.105    17.157    104.902   29.793    49.847    20.987    26.743  4.3054  18.274  4.3504  8.469845       6.120601 
1 1 1 -12 5   38 f 34.476  2.6487  166.859   23.048    186.693   39.361    156.510   28.433    35.707  4.1956  33.245  3.2340  2.461796       5.297313 
1 1 1 -12 5   39 o 26.314  3.0785  101.164   19.528    110.852   35.046    96.801    23.518    26.733  5.0802  25.895  3.4787  0.8376141      6.157071 
1 1 1 -12 5   40 o 19.014  3.5852  54.852    17.539    64.633    31.732    50.550    21.046    19.872  5.6783  18.155  4.3786  1.717417       7.170456 
1 1 1 -12 5   41 o 18.405  3.4725  37.622    17.860    104.042   34.626    13.545    20.847    25.436  5.2563  11.374  4.5392  14.06178       6.944991 
1 1 1 -12 5   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 6   1  o 145.393 2.9978  2834.02   116.697   2921.87   164.816   2745.69   165.255   147.655 4.1674  143.130 4.3106  4.524307       5.995654 
1 1 1 -12 6   2  o 275.549 5.2134  10192.27  384.735   10013.58  544.091   10370.97  544.104   273.128 7.4373  277.970 7.3079  -4.842285      10.42689 
1 1 1 -12 6   3  o 159.466 3.2434  3408.85   138.529   3371.19   195.995   3446.45   195.824   158.585 4.6142  160.347 4.5595  -1.762054      6.486875 
1 1 1 -12 6   4  o 291.223 5.4413  11389.01  424.443   11404.33  600.316   11373.70  600.189   291.420 7.6908  291.027 7.6996  0.3925171      10.88263 
1 1 1 -12 6   5  o 210.973 4.1222  5971.02   232.934   5919.54   329.299   6022.58   329.536   210.061 5.8527  211.884 5.8065  -1.823318      8.244370 
1 1 1 -12 6   6  o 35.544  1.6392  170.086   15.505    178.334   21.906    161.806   21.948    36.416  2.2570  34.672  2.3777  1.744007       3.278319 
1 1 1 -12 6   7  o 94.183  2.2335  1189.14   56.318    1229.22   79.562    1148.89   79.731    95.775  3.1014  92.591  3.2149  3.184486       4.467037 
1 1 1 -12 6   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 6   9  o 174.127 3.4663  4068.92   161.665   4038.02   228.338   4099.97   228.922   173.464 4.9145  174.791 4.8897  -1.327423      6.932624 
1 1 1 -12 6   10 o 157.126 3.1849  3313.12   134.041   3314.47   189.267   3311.77   189.858   157.159 4.4962  157.094 4.5121  0.6510925E-01  6.369888 
1 1 1 -12 6   11 o 214.039 4.1986  6160.81   240.689   6234.38   340.124   6087.01   340.647   215.325 5.8973  212.753 5.9778  2.571915       8.397173 
1 1 1 -12 6   12 o 162.548 3.3258  3548.90   144.795   3573.55   204.458   3524.10   205.084   163.117 4.6797  161.979 4.7270  1.137238       6.651606 
1 1 1 -12 6   13 o 131.711 2.8034  2328.60   98.890    2281.79   139.479   2375.91   140.228   130.378 3.9941  133.044 3.9350  -2.666412      5.606881 
1 1 1 -12 6   14 o 136.308 2.8996  2494.96   105.862   2505.16   149.445   2484.68   149.979   136.589 4.0849  136.027 4.1164  0.5620575      5.799198 
1 1 1 -12 6   15 o 182.121 3.6673  4462.37   178.884   4501.09   252.705   4423.48   253.257   182.917 5.1579  181.324 5.2145  1.592758       7.334503 
1 1 1 -12 6   16 f 118.836 2.6068  1895.81   82.972    1877.31   117.015   1914.52   117.669   118.252 3.6944  119.420 3.6787  -1.167549      5.213588 
1 1 1 -12 6   17 o 99.897  2.3549  1339.18   63.006    1317.75   88.768    1360.95   89.442    99.091  3.3445  100.704 3.3159  -1.612862      4.709722 
1 1 1 -12 6   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 6   19 o 98.460  2.3868  1301.53   62.932    1326.71   88.721    1276.04   89.279    99.421  3.3317  97.498  3.4187  1.923019       4.773624 
1 1 1 -12 6   20 o 19.593  2.2392  52.799    11.343    50.028    15.843    55.714    16.247    19.046  3.2204  20.141  3.1120  -1.095371      4.478344 
1 1 1 -12 6   21 o 84.841  2.1790  966.084   49.509    941.334   69.645    991.370   70.394    83.741  3.1050  85.941  3.0581  -2.199791      4.358055 
1 1 1 -12 6   22 o 98.940  2.3937  1315.56   63.417    1344.91   89.414    1285.85   89.958    100.055 3.3364  97.824  3.4332  2.230522       4.787336 
1 1 1 -12 6   23 o 91.931  2.2776  1135.95   56.078    1140.90   78.951    1130.90   79.667    92.135  3.1992  91.727  3.2426  0.4089355      4.555151 
1 1 1 -12 6   24 o 119.964 2.6984  1939.40   86.698    1956.48   122.243   1922.11   122.979   120.502 3.7874  119.427 3.8445  1.074150       5.396705 
1 1 1 -12 6   25 o 106.876 2.4897  1539.80   71.266    1547.83   100.428   1531.65   101.147   107.161 3.4989  106.591 3.5428  0.5702896      4.979303 
1 1 1 -12 6   26 o 8.0139  2.2856  3.5878    7.5809    1.6946    10.461    5.6816    11.001    7.5448  3.1368  8.4830  3.3250  -0.9381580     4.571120 
1 1 1 -12 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 6   28 f 30.527  1.9403  126.537   15.582    108.134   21.511    146.856   22.602    28.151  2.8940  32.903  2.5854  -4.752110      3.880658 
1 1 1 -12 6   29 o 51.289  1.9220  356.270   26.306    349.167   36.779    363.709   37.640    50.766  2.7147  51.813  2.7217  -1.047611      3.844088 
1 1 1 -12 6   30 o 95.757  2.4291  1248.09   62.292    1266.24   87.786    1229.69   88.406    96.475  3.3972  95.039  3.4729  1.436127       4.858188 
1 1 1 -12 6   31 o 25.297  2.1420  87.773    14.022    70.989    19.165    107.108   20.571    22.616  3.2578  27.978  2.7819  -5.361944      4.283934 
1 1 1 -12 6   32 o 14.479  2.5013  28.619    10.864    7.5761    15.084    51.305    15.662    9.7979  3.8766  19.160  3.1621  -9.361705      5.002684 
1 1 1 -12 6   33 o 29.868  2.1381  124.678   16.409    154.681   23.247    94.886    23.164    33.643  2.5999  26.092  3.3950  7.551674       4.276152 
1 1 1 -12 6   34 o 31.015  2.1493  133.428   17.569    140.829   24.466    125.549   25.244    31.960  2.8893  30.070  3.1827  1.890848       4.298549 
1 1 1 -12 6   35 o 60.397  3.0171  502.430   48.808    502.430   48.808    0.0000    0.0000    60.397  3.0171  ?       ?       ?              ?        
1 1 1 -12 6   36 o 22.672  2.5943  75.021    14.911    91.726    20.893    57.676    21.289    25.541  3.1188  19.803  4.1466  5.738094       5.188564 
1 1 1 -12 6   37 f 28.064  2.4949  116.288   17.323    151.186   24.153    79.322    24.858    32.941  2.7629  23.187  4.1551  9.754393       4.989877 
1 1 1 -12 6   38 o 13.746  3.4423  24.828    14.934    32.857    26.832    21.225    17.975    15.047  5.3256  12.446  4.3631  2.600743       6.884668 
1 1 1 -12 6   39 o 21.337  3.4375  62.234    18.274    101.713   33.483    45.484    21.809    25.528  5.0756  17.146  4.6371  8.381971       6.874937 
1 1 1 -12 6   40 o 12.660  3.5299  16.646    16.188    27.392    30.419    12.401    19.120    14.332  5.5533  10.988  4.3591  3.344050       7.059837 
1 1 1 -12 6   41 o 7.0631  3.2757  -10.2670  14.794    0.0000    0.0000    -10.2670  14.794    ?       ?       7.0631  3.2757  ?              ?        
1 1 1 -12 6   42 o 26.612  3.4876  114.942   21.966    118.155   40.152    113.570   26.240    25.781  5.9372  27.444  3.6611  -1.662453      6.975201 
1 1 1 -12 7   1  o 124.633 2.6858  2082.18   89.633    2137.42   126.581   2026.63   126.941   126.293 3.7420  122.974 3.8539  3.318947       5.371694 
1 1 1 -12 7   2  o 288.449 5.4541  11174.00  421.380   11124.20  595.984   11223.78  595.859   287.804 7.7312  289.093 7.6951  -1.289032      10.90812 
1 1 1 -12 7   3  o 337.934 6.2959  15354.17  569.872   15411.61  806.181   15296.81  805.662   338.568 8.8899  337.301 8.9176  1.267456       12.59181 
1 1 1 -12 7   4  o 347.673 6.4606  16260.64  601.634   16245.14  850.991   16276.12  850.687   347.506 9.1427  347.839 9.1307  -0.3332214     12.92121 
1 1 1 -12 7   5  o 189.925 3.7254  4839.09   189.494   4925.13   268.135   4753.25   267.834   191.614 5.2244  188.236 5.3122  3.378510       7.450786 
1 1 1 -12 7   6  o 240.991 4.5876  7799.88   296.123   7750.01   418.688   7849.80   418.875   240.219 6.5072  241.764 6.4685  -1.545700      9.175243 
1 1 1 -12 7   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 7   8  o 200.316 3.8915  5388.36   208.795   5380.32   295.132   5396.42   295.428   200.166 5.5047  200.466 5.5020  -0.2995148     7.782971 
1 1 1 -12 7   9  o 307.668 5.8218  12765.94  479.759   12852.73  678.415   12679.13  678.548   308.721 8.2043  306.614 8.2623  2.107056       11.64368 
1 1 1 -12 7   10 o 180.807 3.6061  4391.79   174.632   4439.20   246.822   4344.26   247.113   181.788 5.0691  179.827 5.1304  1.961197       7.212263 
1 1 1 -12 7   11 o 305.111 5.7755  12577.84  471.977   12447.00  667.101   12708.98  667.853   303.510 8.2060  306.712 8.1294  -3.202606      11.55100 
1 1 1 -12 7   12 o 353.252 6.6234  16927.52  626.689   17012.70  886.034   16842.24  886.511   354.154 9.3405  352.350 9.3934  1.803986       13.24687 
1 1 1 -12 7   13 o 145.941 3.0594  2860.86   119.588   2828.83   168.810   2893.12   169.436   145.120 4.3429  146.763 4.3103  -1.643127      6.118774 
1 1 1 -12 7   14 o 167.112 3.4160  3755.41   152.874   3834.81   215.935   3675.64   216.459   168.891 4.7734  165.333 4.8880  3.557632       6.832092 
1 1 1 -12 7   15 o 224.469 4.3011  6792.81   258.592   6842.75   365.387   6742.70   366.024   225.302 6.0548  223.635 6.1105  1.666687       8.602281 
1 1 1 -12 7   16 o 97.513  2.3263  1276.04   60.739    1231.16   85.516    1321.73   86.286    95.781  3.3334  99.246  3.2459  -3.465714      4.652653 
1 1 1 -12 7   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 7   18 o 63.547  2.0129  542.104   34.232    564.820   48.219    519.023   48.606    64.892  2.7742  62.201  2.9174  2.691410       4.025868 
1 1 1 -12 7   19 o 154.817 3.2049  3223.93   132.885   3163.32   187.572   3285.01   188.285   153.351 4.5666  156.283 4.4980  -2.931992      6.409791 
1 1 1 -12 7   20 o 118.018 2.6453  1871.52   83.618    1883.01   117.961   1859.92   118.547   118.384 3.7201  117.651 3.7619  0.7324677      5.290660 
1 1 1 -12 7   21 f 145.157 3.0712  2836.93   119.376   2906.61   168.589   2766.87   169.057   146.955 4.2831  143.359 4.4027  3.596207       6.142371 
1 1 1 -12 7   22 o 47.600  1.8667  304.996   23.690    289.810   33.210    320.729   33.803    46.386  2.6844  48.814  2.5947  -2.428089      3.733402 
1 1 1 -12 7   23 o 162.994 3.3613  3590.55   146.745   3605.67   207.282   3575.36   207.775   163.343 4.7377  162.645 4.7694  0.6977386      6.722596 
1 1 1 -12 7   24 o 35.902  1.9051  174.376   18.166    179.496   25.382    168.999   26.010    36.455  2.6169  35.348  2.7693  1.106125       3.810137 
1 1 1 -12 7   25 o 96.056  2.3733  1244.76   61.039    1279.07   86.103    1210.10   86.543    97.398  3.3005  94.714  3.4114  2.684364       4.746661 
1 1 1 -12 7   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 7   27 o 54.885  1.9257  407.062   28.241    417.528   39.611    396.243   40.274    55.647  2.6576  54.122  2.7876  1.525276       3.851433 
1 1 1 -12 7   28 o 46.622  1.9011  294.582   23.628    298.974   33.067    290.000   33.775    46.988  2.6380  46.256  2.7383  0.7325249      3.802245 
1 1 1 -12 7   29 o 48.954  1.9363  325.002   25.263    305.919   35.364    344.887   36.101    47.470  2.7937  50.438  2.6819  -2.968288      3.872613 
1 1 1 -12 7   30 o 48.693  1.9665  322.172   25.531    320.258   35.589    324.201   36.647    48.552  2.7480  48.834  2.8137  -0.2819443     3.932944 
1 1 1 -12 7   31 f 34.456  1.9872  161.844   18.107    143.509   25.012    182.032   26.245    32.371  2.9160  36.541  2.7006  -4.169521      3.974496 
1 1 1 -12 7   32 o 31.125  2.0485  133.131   16.868    137.735   23.739    128.437   23.972    31.692  2.8262  30.558  2.9661  1.133543       4.096966 
1 1 1 -12 7   33 o 20.079  2.5111  56.837    12.979    52.250    17.619    62.279    19.191    19.175  3.5617  20.983  3.5407  -1.808363      5.022179 
1 1 1 -12 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 7   35 o 31.215  2.1533  135.830   17.742    125.930   24.794    146.218   25.398    30.005  3.1311  32.425  2.9569  -2.419764      4.306609 
1 1 1 -12 7   36 o 15.778  2.9305  37.341    12.907    47.848    17.892    25.941    18.637    18.058  3.8185  13.498  4.4465  4.560049       5.861065 
1 1 1 -12 7   37 o 13.793  2.7951  26.665    12.408    45.825    17.323    6.4781    17.780    17.609  3.7853  9.9763  4.1135  7.632912       5.590137 
1 1 1 -12 7   38 o 16.348  3.0498  40.614    13.562    37.484    18.907    43.930    19.463    15.697  4.3477  16.998  4.2781  -1.300849      6.099511 
1 1 1 -12 7   39 o 19.415  2.9335  58.978    14.934    76.737    20.513    38.950    21.785    22.978  3.4386  15.851  4.7537  7.127115       5.867014 
1 1 1 -12 7   40 o 16.031  3.9561  36.053    18.139    53.983    38.746    31.020    20.527    17.833  6.3903  14.229  4.6656  3.604146       7.912251 
1 1 1 -12 7   41 o 10.782  4.8649  -3.3612   29.798    -3.3612   29.798    0.0000    0.0000    10.782  4.8649  ?       ?       ?              ?        
1 1 1 -12 8   1  o 196.362 3.8204  5171.79   200.936   5170.15   283.879   5173.42   284.453   196.331 5.3983  196.392 5.4075  -0.6158447E-01 7.640850 
1 1 1 -12 8   2  o 647.556 12.004  57065.23  2081.89   56273.66  2943.74   57857.32  2944.73   642.992 17.092  652.120 16.859  -9.127014      24.00776 
1 1 1 -12 8   3  o 189.835 3.7631  4834.54   191.340   4824.23   270.806   4844.83   270.386   189.633 5.3316  190.038 5.3120  -0.4056244     7.526128 
1 1 1 -12 8   4  o 90.887  2.2168  1107.06   53.955    1137.16   76.491    1077.25   76.117    92.118  3.1001  89.657  3.1696  2.460419       4.433647 
1 1 1 -12 8   5  o 557.445 14.817  42973.98  2210.80   41127.73  3121.86   44831.33  3131.24   545.069 21.383  569.820 20.516  -24.75073      29.63343 
1 1 1 -12 8   6  o 157.477 6.4885  3332.86   273.686   3332.86   273.686   0.0000    0.0000    157.477 6.4885  ?       ?       ?              ?        
1 1 1 -12 8   7  o 154.169 3.1038  3189.05   128.161   3229.66   181.290   3148.49   181.203   155.152 4.3624  153.186 4.4163  1.965408       6.207608 
1 1 1 -12 8   8  o 66.967  1.8841  601.102   33.794    607.596   47.706    594.560   47.878    67.331  2.6453  66.604  2.6838  0.7269592      3.768285 
1 1 1 -12 8   9  o 38.402  1.6820  198.438   17.210    202.597   24.267    194.229   24.412    38.811  2.3454  37.993  2.4114  0.8177605      3.363925 
1 1 1 -12 8   10 o 286.616 5.4415  11090.74  417.738   11142.19  590.626   11039.25  590.915   287.287 7.6755  285.945 7.7153  1.341980       10.88298 
1 1 1 -12 8   11 o 196.276 3.9038  5183.11   205.219   5239.92   290.097   5126.19   290.351   197.358 5.4878  195.194 5.5535  2.164124       7.807531 
1 1 1 -12 8   12 f 205.059 4.0623  5661.34   223.120   5680.60   315.387   5642.03   315.693   205.411 5.7323  204.708 5.7576  0.7032471      8.124639 
1 1 1 -12 8   13 f 154.234 3.1702  3196.82   130.963   3214.16   184.988   3179.39   185.433   154.655 4.4657  153.812 4.5010  0.8429871      6.340459 
1 1 1 -12 8   14 o 105.966 2.3893  1507.17   67.803    1535.86   95.673    1478.22   96.103    106.982 3.3388  104.950 3.4187  2.031898       4.778640 
1 1 1 -12 8   15 o 88.223  2.1915  1044.36   51.781    1055.33   72.994    1033.26   73.467    88.691  3.0727  87.756  3.1256  0.9350128      4.382983 
1 1 1 -12 8   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 8   17 o 148.772 3.0652  2975.22   122.142   2959.36   172.366   2991.22   173.106   148.374 4.3372  149.171 4.3325  -0.7970734     6.130390 
1 1 1 -12 8   18 o 183.684 3.7142  4545.06   182.725   4586.31   258.084   4503.59   258.743   184.526 5.2217  182.842 5.2833  1.684067       7.428304 
1 1 1 -12 8   19 f 170.781 3.4711  3928.07   158.774   3956.45   224.203   3899.51   224.878   171.405 4.8835  170.157 4.9341  1.247665       6.942171 
1 1 1 -12 8   20 o 182.796 3.6742  4507.24   179.894   4510.21   254.026   4504.25   254.794   182.859 5.1865  182.733 5.2057  0.1257172      7.348430 
1 1 1 -12 8   21 o 98.188  2.3659  1295.94   62.172    1229.68   87.473    1363.60   88.383    95.643  3.4145  100.732 3.2758  -5.088455      4.731778 
1 1 1 -12 8   22 o 40.501  1.8900  221.263   20.386    222.335   28.680    220.167   28.983    40.603  2.6516  40.399  2.6939  0.2038269      3.779953 
1 1 1 -12 8   23 o 50.359  1.9105  341.862   25.666    344.780   35.921    338.819   36.687    50.584  2.6606  50.134  2.7424  0.4498367      3.820963 
1 1 1 -12 8   24 o 71.980  2.1145  697.513   40.765    688.052   57.320    707.194   57.985    71.486  2.9936  72.475  2.9870  -0.9883957     4.228969 
1 1 1 -12 8   25 o 108.900 2.5568  1603.68   74.574    1581.90   105.139   1625.72   105.792   108.152 3.6295  109.648 3.6022  -1.496078      5.113577 
1 1 1 -12 8   26 o 14.216  2.5390  28.331    9.6524    26.675    13.158    30.260    14.203    13.775  3.5454  14.657  3.6354  -0.8814077     5.078004 
1 1 1 -12 8   27 o 91.233  2.3309  1128.12   56.958    1128.53   80.205    1127.71   80.900    91.254  3.2814  91.211  3.3114  0.4310608E-01  4.661861 
1 1 1 -12 8   28 o 31.430  1.9579  134.938   16.266    142.659   22.689    126.772   23.332    32.389  2.6383  30.471  2.8935  1.918032       3.915712 
1 1 1 -12 8   29 o 38.517  1.9177  201.891   19.644    207.144   27.548    196.456   28.021    39.043  2.6499  37.991  2.7728  1.051563       3.835443 
1 1 1 -12 8   30 o 13.095  2.6334  24.221    9.9435    30.714    13.578    16.710    14.603    14.707  3.4977  11.482  3.9377  3.225337       5.266871 
1 1 1 -12 8   31 o 24.245  2.2314  81.898    14.062    87.870    19.477    75.396    20.324    25.242  2.9356  23.248  3.3614  1.993578       4.462853 
1 1 1 -12 8   32 o 25.019  2.2492  87.262    14.683    90.302    20.253    83.894    21.317    25.531  3.0201  24.507  3.3340  1.024189       4.498477 
1 1 1 -12 8   33 o 19.464  3.7461  54.306    18.821    0.0000    0.0000    54.306    18.821    ?       ?       19.464  3.7461  ?              ?        
1 1 1 -12 8   34 o 20.138  2.7150  58.710    14.098    61.450    19.677    55.819    20.208    20.686  3.6865  19.590  3.9867  1.095854       5.429958 
1 1 1 -12 8   35 f 28.727  2.2811  116.616   17.000    95.690    23.680    138.873   24.421    25.905  3.5025  31.548  2.9233  -5.642332      4.562123 
1 1 1 -12 8   36 o 16.462  2.9438  40.860    13.181    49.710    18.439    31.610    18.850    18.343  3.8744  14.580  4.4332  3.762936       5.887628 
1 1 1 -12 8   37 o 10.791  2.8111  12.649    11.502    22.906    15.719    0.8252    16.876    12.603  4.0799  8.9794  3.8683  3.623603       5.622229 
1 1 1 -12 8   38 o 15.454  3.0807  36.459    13.343    39.663    18.720    33.150    19.025    16.130  4.2671  14.778  4.4448  1.351892       6.161483 
1 1 1 -12 8   39 o 17.689  2.9989  49.178    14.861    71.034    20.788    26.336    21.252    21.913  3.6717  13.465  4.7425  8.447785       5.997704 
1 1 1 -12 8   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 9   1  o 388.575 7.2276  20360.70  752.193   20615.85  1063.67   20105.46  1063.86   391.027 10.156  386.123 10.287  4.904266       14.45512 
1 1 1 -12 9   2  o 134.696 2.8745  2432.67   103.699   2400.38   146.619   2464.99   146.687   133.800 4.0911  135.591 4.0390  -1.790649      5.748974 
1 1 1 -12 9   3  o 246.189 4.6977  8144.12   309.768   8128.49   438.315   8159.71   437.842   245.951 6.6535  246.426 6.6335  -0.4743500     9.395318 
1 1 1 -12 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 9   5  o 188.144 3.7587  4753.64   189.392   4664.85   267.945   4842.30   267.737   186.383 5.3672  189.905 5.2636  -3.521744      7.517475 
1 1 1 -12 9   6  o 125.054 2.7170  2097.64   91.005    2087.13   128.827   2108.10   128.575   124.741 3.8557  125.367 3.8290  -0.6266327     5.433961 
1 1 1 -12 9   7  o 131.858 2.8075  2332.77   99.154    2344.33   140.324   2321.25   140.127   132.185 3.9634  131.531 3.9774  0.6533356      5.614993 
1 1 1 -12 9   8  o 38.025  1.6804  194.578   17.024    199.984   24.077    189.174   24.074    38.558  2.3424  37.492  2.4100  1.065689       3.360809 
1 1 1 -12 9   9  o 197.157 3.8866  5228.40   205.230   5292.59   290.198   5164.18   290.280   198.373 5.4616  195.941 5.5310  2.431915       7.773129 
1 1 1 -12 9   10 o 158.543 3.2347  3377.19   137.361   3361.87   194.077   3392.56   194.440   158.182 4.5807  158.904 4.5684  -0.7218781     6.469345 
1 1 1 -12 9   11 o 50.826  1.8273  347.037   24.810    360.659   34.982    333.251   35.192    51.867  2.5180  49.784  2.6487  2.082829       3.654572 
1 1 1 -12 9   12 o 47.585  1.8047  304.489   22.916    307.338   32.303    301.603   32.515    47.811  2.5315  47.359  2.5729  0.4526711      3.609459 
1 1 1 -12 9   13 o 93.345  2.2756  1169.11   56.890    1148.39   80.257    1190.04   80.654    92.512  3.2389  94.177  3.1973  -1.665031      4.551197 
1 1 1 -12 9   14 o 122.790 2.7005  2025.46   88.782    2088.34   125.427   1962.32   125.686   124.707 3.7550  120.874 3.8821  3.832314       5.400991 
1 1 1 -12 9   15 o 54.594  4.0466  402.619   58.752    0.0000    0.0000    402.619   58.752    ?       ?       54.594  4.0466  ?              ?        
1 1 1 -12 9   16 o 173.231 3.4560  4038.19   160.352   3996.00   226.467   4080.60   227.080   172.320 4.9066  174.141 4.8684  -1.820908      6.912023 
1 1 1 -12 9   17 o 121.743 2.6890  1991.13   87.668    1939.36   123.688   2043.41   124.276   120.149 3.8434  123.338 3.7619  -3.189079      5.378062 
1 1 1 -12 9   18 o 153.149 3.1723  3156.08   130.097   3065.80   183.548   3247.22   184.424   150.940 4.5400  155.359 4.4319  -4.419250      6.344580 
1 1 1 -12 9   19 o 34.354  1.9303  160.458   17.439    184.021   24.564    136.511   24.763    36.954  2.4963  31.755  2.9450  5.198935       3.860607 
1 1 1 -12 9   20 o 125.013 2.7800  2103.32   93.062    2039.98   131.162   2167.54   132.061   123.110 3.9776  126.916 3.8848  -3.805321      5.559974 
1 1 1 -12 9   21 o 61.937  1.9483  515.578   32.299    535.535   45.538    495.375   45.818    63.147  2.6923  60.726  2.8169  2.421940       3.896627 
1 1 1 -12 9   22 o 85.476  2.2568  983.253   51.663    990.247   72.719    976.126   73.411    85.786  3.1648  85.166  3.2181  0.6206512      4.513565 
1 1 1 -12 9   23 o 60.047  1.9587  485.045   31.499    485.581   44.256    484.494   44.842    60.082  2.7500  60.011  2.7897  0.7112503E-01  3.917308 
1 1 1 -12 9   24 o 86.795  2.2744  1016.49   52.873    1018.98   74.479    1013.97   75.073    86.906  3.1996  86.685  3.2333  0.2207794      4.548858 
1 1 1 -12 9   25 o 66.713  4.4706  609.281   79.424    609.281   79.424    0.0000    0.0000    66.713  4.4706  ?       ?       ?              ?        
1 1 1 -12 9   26 o 10.421  2.5321  13.441    8.5668    14.967    11.982    11.845    12.253    10.763  3.5663  10.080  3.5956  0.6828489      5.064245 
1 1 1 -12 9   27 o 43.769  1.9410  260.349   22.603    273.184   31.702    247.077   32.236    44.891  2.6483  42.646  2.8384  2.245487       3.881956 
1 1 1 -12 9   28 o 28.824  2.0099  113.714   15.290    120.088   21.569    107.275   21.678    29.664  2.7458  27.984  2.9359  1.679905       4.019812 
1 1 1 -12 9   29 o 26.541  2.0710  97.113    14.382    108.038   20.296    86.095    20.382    28.106  2.7305  24.976  3.1145  3.130230       4.141934 
1 1 1 -12 9   30 o 41.337  1.9779  233.255   21.766    235.114   30.560    231.340   31.007    41.514  2.7642  41.160  2.8297  0.3541603      3.955744 
1 1 1 -12 9   31 o 49.677  2.0200  338.087   26.713    358.341   37.582    317.403   37.978    51.227  2.7491  48.128  2.9604  3.098160       4.039986 
1 1 1 -12 9   32 o 14.799  2.8216  31.305    11.414    27.987    15.363    35.392    17.052    13.968  3.9371  15.629  4.0428  -1.661544      5.643129 
1 1 1 -12 9   33 o 23.202  2.9150  75.126    16.969    66.818    21.217    89.875    28.270    21.565  3.8128  24.840  4.4105  -3.275621      5.830079 
1 1 1 -12 9   34 f 44.673  2.0935  277.564   24.876    287.651   34.816    267.044   35.557    45.556  2.8679  43.790  3.0505  1.765282       4.186965 
1 1 1 -12 9   35 o 15.330  2.8393  34.369    12.356    49.592    17.881    20.459    17.092    18.385  3.7580  12.275  4.2573  6.109572       5.678683 
1 1 1 -12 9   36 o 11.975  2.8784  17.639    11.916    5.0249    16.529    31.288    17.194    9.4879  3.9436  14.462  4.1939  -4.973952      5.756848 
1 1 1 -12 9   37 o 16.960  2.9706  43.489    13.582    34.023    18.842    53.728    19.595    14.974  4.4042  18.946  3.9876  -3.971988      5.941192 
1 1 1 -12 9   38 o 12.879  3.0943  23.552    13.167    31.570    18.251    14.849    19.014    14.400  4.3584  11.359  4.3935  3.041562       6.188627 
1 1 1 -12 9   39 o 14.012  4.6497  30.169    20.365    0.0000    0.0000    30.169    20.365    ?       ?       14.012  4.6497  ?              ?        
1 1 1 -12 9   40 o 24.008  2.8282  90.483    17.111    113.276   23.976    66.826    24.426    27.705  3.2956  20.310  4.5971  7.394430       5.656394 
1 1 1 -12 10  1  o 170.251 3.4213  3889.47   156.012   3907.28   220.404   3871.58   220.865   170.643 4.8222  169.859 4.8545  0.7835388      6.842516 
1 1 1 -12 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 10  3  o 207.410 4.0461  5779.57   224.781   5793.91   318.034   5765.27   317.743   207.668 5.7176  207.153 5.7266  0.5149384      8.092290 
1 1 1 -12 10  4  o 218.562 4.2351  6421.83   247.930   6425.37   350.908   6418.31   350.343   218.621 5.9926  218.502 5.9862  0.1192017      8.470246 
1 1 1 -12 10  5  o 154.461 3.1405  3202.55   129.925   3232.31   184.002   3172.95   183.484   155.178 4.4269  153.744 4.4556  1.433807       6.280959 
1 1 1 -12 10  6  o 100.085 2.3310  1343.37   62.486    1357.12   88.539    1329.72   88.198    100.596 3.2860  99.574  3.3069  1.021606       4.661901 
1 1 1 -12 10  7  o 166.055 3.3624  3704.74   149.539   3649.54   211.550   3759.86   211.409   164.814 4.7921  167.295 4.7179  -2.480591      6.724843 
1 1 1 -12 10  8  o 38.957  1.6906  204.188   17.555    206.078   24.890    202.318   24.762    39.138  2.3858  38.777  2.3959  0.3607178      3.381125 
1 1 1 -12 10  9  o 116.817 2.6121  1831.77   81.716    1874.59   115.645   1789.06   115.484   118.184 3.6533  115.451 3.7345  2.733292       5.224275 
1 1 1 -12 10  10 o 134.959 2.8561  2446.12   103.238   2470.89   145.979   2421.34   146.023   135.644 4.0179  134.273 4.0602  1.371017       5.712137 
1 1 1 -12 10  11 o 130.038 2.8630  2271.43   99.704    2222.72   140.822   2320.40   141.184   128.637 4.0871  131.440 4.0102  -2.803314      5.725952 
1 1 1 -12 10  12 o 175.016 3.5724  4121.80   167.463   4134.50   236.646   4109.05   237.012   175.288 5.0403  174.744 5.0638  0.5441742      7.144714 
1 1 1 -12 10  13 o 225.762 4.3976  6877.08   265.907   6788.64   375.689   6965.86   376.412   224.298 6.2534  227.226 6.1847  -2.927460      8.795147 
1 1 1 -12 10  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 10  15 o 161.342 3.3311  3502.01   143.941   3446.37   203.287   3557.95   203.840   160.052 4.7420  162.632 4.6795  -2.579895      6.662111 
1 1 1 -12 10  16 o 82.963  2.1864  923.663   48.584    918.995   68.495    928.390   68.922    82.753  3.0902  83.174  3.0937  -0.4217529     4.372712 
1 1 1 -12 10  17 o 211.959 4.1019  6064.76   232.849   5949.78   328.888   6180.32   329.710   209.931 5.8490  213.988 5.7525  -4.056534      8.203766 
1 1 1 -12 10  18 o 89.200  2.2623  1068.63   54.045    1079.74   76.176    1057.37   76.690    89.669  3.1717  88.732  3.2268  0.9376755      4.524559 
1 1 1 -12 10  19 o 115.940 2.6532  1808.57   82.382    1838.56   116.272   1778.34   116.740   116.911 3.7131  114.970 3.7910  1.941292       5.306428 
1 1 1 -12 10  20 o 108.833 2.4992  1594.11   72.846    1612.50   102.723   1575.50   103.320   109.469 3.5034  108.196 3.5652  1.272377       4.998437 
1 1 1 -12 10  21 o 96.601  2.3783  1256.53   61.531    1270.75   86.734    1242.12   87.306    97.156  3.3329  96.046  3.3937  1.110023       4.756670 
1 1 1 -12 10  22 o 41.292  1.8735  230.080   20.603    221.774   28.794    238.795   29.493    40.524  2.6677  42.061  2.6311  -1.537308      3.746949 
1 1 1 -12 10  23 o 29.060  1.9306  114.688   14.847    114.818   20.783    114.553   21.218    29.082  2.6989  29.038  2.7612  0.4335976E-01  3.861128 
1 1 1 -12 10  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 10  25 o 64.670  2.0356  565.021   35.257    565.663   49.581    564.364   50.146    64.710  2.8605  64.629  2.8968  0.8141327E-01  4.071162 
1 1 1 -12 10  26 o 36.470  1.9173  180.648   18.527    161.480   25.809    201.024   26.610    34.443  2.8224  38.498  2.5958  -4.055031      3.834550 
1 1 1 -12 10  27 o 32.286  1.9681  142.122   16.849    142.206   23.566    142.034   24.099    32.303  2.7498  32.270  2.8164  0.3322983E-01  3.936225 
1 1 1 -12 10  28 o 17.635  2.4611  43.525    11.192    35.725    15.234    52.673    16.497    15.858  3.6607  19.411  3.2906  -3.552827      4.922215 
1 1 1 -12 10  29 o 24.386  2.2099  82.256    14.097    79.450    19.664    85.222    20.219    23.948  3.1414  24.824  3.1091  -0.8760014     4.419845 
1 1 1 -12 10  30 o 45.219  2.0014  279.457   24.103    266.201   33.678    293.379   34.513    44.105  2.8664  46.334  2.7940  -2.229404      4.002811 
1 1 1 -12 10  31 o 49.670  2.0282  338.260   26.857    326.066   37.503    351.099   38.480    48.742  2.8854  50.598  2.8509  -1.856705      4.056308 
1 1 1 -12 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 10  33 o 7.7307  2.3648  -4.7009   9.7845    6.6591    13.254    -18.3085  14.506    9.0893  3.6219  6.3721  3.0417  2.717234       4.729687 
1 1 1 -12 10  34 o 22.190  2.5768  71.207    14.781    71.611    20.738    70.789    21.073    22.275  3.5986  22.105  3.6891  0.1696491      5.153625 
1 1 1 -12 10  35 o 24.985  2.5001  90.063    16.246    90.180    22.485    89.934    23.498    25.048  3.4425  24.923  3.6264  0.1248665      5.000136 
1 1 1 -12 10  36 o 10.850  2.7546  12.271    11.441    26.039    15.737    -3.1647   16.662    13.274  4.0538  8.4258  3.7307  4.847851       5.509186 
1 1 1 -12 10  37 o 10.413  2.8951  11.111    11.816    11.622    16.144    10.521    17.342    10.401  4.0413  10.426  4.1465  -0.2433395E-01 5.790182 
1 1 1 -12 10  38 o 23.077  2.7617  80.100    16.427    84.722    22.969    75.262    23.502    23.890  3.7099  22.263  4.0919  1.627024       5.523317 
1 1 1 -12 10  39 o 32.255  2.4536  153.743   20.833    152.172   28.667    155.501   30.328    32.156  3.3789  32.354  3.5585  -0.1980133     4.907144 
1 1 1 -12 11  1  o 337.774 6.3502  15412.08  574.490   15217.58  811.962   15607.05  812.943   335.624 9.0322  339.925 8.9287  -4.301331      12.70048 
1 1 1 -12 11  2  o 287.372 5.4947  11137.07  422.891   10937.71  597.873   11336.67  598.245   284.781 7.8381  289.963 7.7028  -5.181976      10.98944 
1 1 1 -12 11  3  o 265.815 5.0489  9522.13   359.458   9435.76   508.433   9608.46   508.267   264.602 7.1738  267.028 7.1063  -2.426178      10.09771 
1 1 1 -12 11  4  o 67.176  1.9768  604.933   35.566    614.294   50.476    595.702   50.122    67.692  2.7839  66.659  2.8072  1.032845       3.953581 
1 1 1 -12 11  5  o 43.955  1.7395  259.729   20.391    268.681   29.041    251.024   28.638    44.706  2.4345  43.204  2.4852  1.502117       3.478907 
1 1 1 -12 11  6  o 129.981 2.8097  2268.15   97.817    2248.73   138.517   2287.46   138.153   129.424 3.9957  130.537 3.9513  -1.113266      5.619475 
1 1 1 -12 11  7  o 135.954 2.8736  2482.11   104.636   2449.40   148.085   2514.72   147.870   135.057 4.0936  136.851 4.0341  -1.794479      5.747285 
1 1 1 -12 11  8  o 122.859 2.7235  2026.72   89.608    2075.74   126.917   1978.00   126.535   124.344 3.8107  121.375 3.8922  2.969093       5.447065 
1 1 1 -12 11  9  o 210.849 4.1173  5990.22   232.495   5876.40   328.788   6104.06   328.807   208.833 5.8780  212.864 5.7670  -4.031158      8.234599 
1 1 1 -12 11  10 o 108.575 2.4974  1582.56   72.617    1618.30   102.780   1546.93   102.612   109.802 3.4947  107.348 3.5687  2.453506       4.994882 
1 1 1 -12 11  11 o 152.576 3.2055  3130.08   130.989   3171.64   185.266   3088.54   185.227   153.592 4.5034  151.559 4.5628  2.033371       6.410906 
1 1 1 -12 11  12 o 311.832 5.9526  13204.85  497.179   13158.43  702.945   13251.31  703.289   311.277 8.4311  312.387 8.4053  -1.109894      11.90516 
1 1 1 -12 11  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 11  14 o 95.682  2.3296  1229.16   59.682    1263.82   84.311    1194.33   84.497    97.038  3.2438  94.326  3.3444  2.711815       4.659112 
1 1 1 -12 11  15 o 98.551  2.3374  1303.90   61.696    1312.46   87.054    1295.26   87.451    98.877  3.2870  98.225  3.3239  0.6525879      4.674728 
1 1 1 -12 11  16 o 110.927 2.5595  1653.14   76.045    1656.22   107.341   1650.03   107.749   111.032 3.6094  110.822 3.6299  0.2097702      5.118960 
1 1 1 -12 11  17 o 134.227 2.8837  2423.90   103.674   2398.44   146.324   2449.57   146.914   133.517 4.0916  134.937 4.0648  -1.419678      5.767474 
1 1 1 -12 11  18 o 19.834  2.3553  55.880    11.725    73.942    16.495    37.434    16.669    23.316  2.6906  16.353  3.8665  6.962799       4.710558 
1 1 1 -12 11  19 o 57.186  1.9421  439.202   29.745    430.897   41.823    447.701   42.312    56.638  2.7569  57.733  2.7362  -1.095074      3.884245 
1 1 1 -12 11  20 o 23.237  2.2648  74.945    13.503    86.450    18.757    62.567    19.455    25.203  2.8273  21.272  3.5389  3.930853       4.529604 
1 1 1 -12 11  21 o 36.271  1.9182  177.926   18.498    178.412   25.972    177.427   26.352    36.324  2.6885  36.217  2.7367  0.1070061      3.836371 
1 1 1 -12 11  22 o 60.036  1.9749  485.317   31.752    472.419   44.611    498.560   45.202    59.225  2.8122  60.846  2.7736  -1.621246      3.949827 
1 1 1 -12 11  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 11  24 f 10.283  2.5178  12.889    8.4731    11.168    11.872    14.676    12.097    9.8548  3.5367  10.710  3.5844  -0.8555536     5.035499 
1 1 1 -12 11  25 o 11.675  2.5349  18.109    9.0513    25.354    12.703    10.639    12.900    13.413  3.4992  9.9369  3.6686  3.476160       5.069781 
1 1 1 -12 11  26 o 13.641  2.6188  26.308    9.9322    31.245    13.795    20.995    14.312    14.856  3.5207  12.425  3.8778  2.430476       5.237628 
1 1 1 -12 11  27 o 34.090  1.9955  159.289   17.959    174.584   25.163    143.409   25.640    35.816  2.6416  32.365  2.9915  3.450752       3.990919 
1 1 1 -12 11  28 o 65.661  2.0753  586.291   36.495    579.148   51.227    593.653   52.007    65.256  2.9308  66.065  2.9390  -0.8093109     4.150576 
1 1 1 -12 11  29 o 20.194  2.4785  57.425    12.879    49.967    17.830    65.562    18.622    18.745  3.6825  21.642  3.3183  -2.897095      4.957063 
1 1 1 -12 11  30 o 29.525  2.1351  120.655   16.627    122.418   23.082    118.754   23.970    29.778  2.9319  29.272  3.1046  0.5061798      4.270239 
1 1 1 -12 11  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 11  32 o 12.912  2.8600  23.566    11.344    30.391    15.474    15.636    16.680    14.428  3.9077  11.396  4.1772  3.032174       5.720023 
1 1 1 -12 11  33 o 20.494  2.7311  63.465    14.229    82.127    19.647    42.880    20.635    24.102  3.1164  16.887  4.4860  7.214699       5.462254 
1 1 1 -12 11  34 o 9.9721  2.7696  9.0090    10.988    3.9828    15.533    14.044    15.547    9.1222  3.8099  10.822  4.0210  -1.699723      5.539277 
1 1 1 -12 11  35 o 15.282  3.0178  35.298    12.871    38.988    18.262    31.656    18.145    16.052  4.1993  14.513  4.3353  1.538991       6.035645 
1 1 1 -12 11  36 f 11.016  2.9195  13.506    12.134    22.227    16.995    4.4398    17.329    12.498  4.2483  9.5334  4.0057  2.964486       5.838989 
1 1 1 -12 11  37 o 9.4442  2.7676  5.8753    11.465    5.2903    16.301    6.4482    16.130    9.3765  3.9084  9.5119  3.9195  -0.1354952     5.535179 
1 1 1 -12 11  38 o 19.128  4.8553  59.670    24.919    59.670    24.919    0.0000    0.0000    19.128  4.8553  ?       ?       ?              ?        
1 1 1 -12 12  1  o 308.229 5.8133  12840.67  479.795   12468.38  677.824   13214.52  679.243   303.714 8.3323  312.745 8.1086  -9.031738      11.62652 
1 1 1 -12 12  2  o 180.478 3.5854  4377.97   173.320   4387.96   245.032   4367.96   245.190   180.685 5.0630  180.271 5.0779  0.4139862      7.170774 
1 1 1 -12 12  3  o 108.162 2.5170  1569.73   72.918    1566.93   103.182   1572.52   103.062   108.065 3.5647  108.258 3.5543  -0.1929779     5.033904 
1 1 1 -12 12  4  o 163.428 3.3783  3590.26   147.850   3506.33   209.206   3674.01   208.977   161.512 4.8359  165.343 4.7187  -3.831360      6.756668 
1 1 1 -12 12  5  o 90.695  2.2631  1103.42   54.973    1120.92   77.976    1086.13   77.512    91.411  3.1847  89.979  3.2162  1.431297       4.526172 
1 1 1 -12 12  6  o 70.520  1.9951  666.853   37.683    674.934   53.571    658.938   53.016    70.942  2.8193  70.097  2.8237  0.8458939      3.990201 
1 1 1 -12 12  7  o 161.294 3.3097  3497.74   142.985   3501.89   202.450   3493.61   201.975   161.389 4.6833  161.199 4.6779  0.1901855      6.619357 
1 1 1 -12 12  8  o 146.422 3.0665  2881.63   120.247   2824.71   170.150   2938.42   169.960   144.973 4.3818  147.872 4.2911  -2.899689      6.133045 
1 1 1 -12 12  9  o 124.340 2.7310  2076.53   90.946    2111.29   128.773   2041.94   128.462   125.381 3.8344  123.300 3.8898  2.081673       5.461971 
1 1 1 -12 12  10 o 100.554 2.4268  1357.44   65.344    1397.14   92.558    1317.98   92.265    102.023 3.3871  99.085  3.4765  2.938576       4.853684 
1 1 1 -12 12  11 o 166.054 3.4020  3710.16   151.303   3667.08   213.950   3753.26   214.001   165.085 4.8386  167.022 4.7836  -1.937454      6.803973 
1 1 1 -12 12  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 12  13 o 86.315  2.1883  999.817   50.593    999.934   71.494    999.700   71.604    86.321  3.0922  86.310  3.0973  0.1039886E-01  4.376644 
1 1 1 -12 12  14 o 83.892  2.1801  944.971   48.954    986.235   69.287    903.838   69.177    85.726  3.0175  82.059  3.1474  3.666611       4.360196 
1 1 1 -12 12  15 f 44.198  1.8432  263.031   21.718    267.739   30.573    258.235   30.856    44.601  2.5701  43.794  2.6429  0.8078346      3.686468 
1 1 1 -12 12  16 o 132.512 2.8600  2362.92   101.498   2401.32   143.361   2324.32   143.719   133.598 4.0063  131.427 4.0827  2.171204       5.720013 
1 1 1 -12 12  17 o 55.343  1.9215  411.245   28.481    413.186   40.118    409.273   40.441    55.476  2.6999  55.211  2.7347  0.2650642      3.842901 
1 1 1 -12 12  18 o 81.588  2.1872  895.091   47.791    907.832   67.364    882.180   67.812    82.176  3.0605  81.000  3.1256  1.175941       4.374466 
1 1 1 -12 12  19 o 52.046  1.9038  364.538   26.467    345.682   37.153    383.967   37.713    50.638  2.7496  53.454  2.6340  -2.816402      3.807648 
1 1 1 -12 12  20 o 34.690  1.9003  163.135   17.477    173.271   24.528    152.680   24.910    35.807  2.5746  33.572  2.7956  2.235352       3.800521 
1 1 1 -12 12  21 f 105.041 2.4975  1491.24   70.262    1500.72   99.051    1481.64   99.684    105.384 3.5091  104.699 3.5546  0.6844406      4.994906 
1 1 1 -12 12  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 12  23 o 52.399  1.9402  371.674   27.131    373.976   38.123    369.312   38.620    52.569  2.7168  52.229  2.7706  0.3404922      3.880343 
1 1 1 -12 12  24 o 39.177  1.9272  208.491   20.078    198.039   28.325    219.046   28.465    38.173  2.7896  40.182  2.6598  -2.009274      3.854404 
1 1 1 -12 12  25 f 30.153  1.9871  124.078   15.860    122.309   22.118    125.950   22.752    29.934  2.7909  30.372  2.8294  -0.4382210     3.974244 
1 1 1 -12 12  26 o 75.498  2.1601  774.887   43.660    795.701   61.393    753.591   62.101    76.546  2.9944  74.451  3.1142  2.094971       4.320238 
1 1 1 -12 12  27 o 63.128  2.0752  541.757   35.081    525.200   49.108    559.010   50.131    62.139  2.9505  64.118  2.9190  -1.979366      4.150455 
1 1 1 -12 12  28 o 64.488  2.0951  566.948   36.172    543.469   50.583    591.522   51.747    63.111  2.9923  65.866  2.9332  -2.754860      4.190147 
1 1 1 -12 12  29 o 9.1804  2.5411  5.6605    9.3304    -0.5019   12.555    13.263    13.945    7.7703  3.3420  10.590  3.8288  -2.820250      5.082211 
1 1 1 -12 12  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 12  31 o 29.880  2.2333  125.212   17.512    138.517   24.837    112.060   24.694    31.549  2.9743  28.211  3.3323  3.337757       4.466677 
1 1 1 -12 12  32 o 16.045  2.8532  38.205    12.255    39.973    16.995    36.290    17.689    16.458  3.9127  15.632  4.1539  0.8265219      5.706453 
1 1 1 -12 12  33 o 17.309  2.7976  46.177    13.118    63.235    17.991    26.814    19.168    20.982  3.3110  13.636  4.5103  7.346194       5.595130 
1 1 1 -12 12  34 o 11.316  2.8459  15.595    11.628    25.522    15.795    3.8480    17.182    13.176  4.0675  9.4550  3.9815  3.721184       5.691839 
1 1 1 -12 12  35 o 7.9950  2.4984  -5.8549   10.847    -14.9105  14.727    4.8826    16.036    6.6673  3.1480  9.3227  3.8805  -2.655419      4.996795 
1 1 1 -12 12  36 o 15.543  3.1596  36.757    14.125    26.964    19.261    48.150    20.775    13.473  4.5230  17.612  4.4130  -4.138947      6.319160 
1 1 1 -12 12  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 13  1  o 87.461  2.1888  1026.13   51.270    1036.51   72.240    1015.60   72.775    87.908  3.0680  87.015  3.1225  0.8932266      4.377539 
1 1 1 -12 13  2  o 38.762  1.7236  202.211   17.804    201.174   25.105    203.260   25.251    38.662  2.4368  38.862  2.4382  -0.2004356     3.447159 
1 1 1 -12 13  3  o 93.258  2.2673  1166.80   56.634    1169.04   80.114    1164.56   80.070    93.348  3.2042  93.168  3.2086  0.1791992      4.534499 
1 1 1 -12 13  4  o 147.127 3.1016  2908.85   122.224   2927.84   173.029   2889.94   172.673   147.608 4.3764  146.647 4.3961  0.9607391      6.203109 
1 1 1 -12 13  5  o 88.903  2.2220  1060.44   52.910    1054.48   75.012    1066.35   74.641    88.653  3.1590  89.152  3.1258  -0.4993210     4.444067 
1 1 1 -12 13  6  o 170.997 3.4621  3933.63   158.564   3964.74   224.558   3902.69   223.929   171.673 4.8836  170.320 4.9086  1.352509       6.924120 
1 1 1 -12 13  7  o 193.177 3.8252  5026.20   197.913   5089.29   280.232   4963.42   279.552   194.392 5.3821  191.962 5.4370  2.429916       7.650324 
1 1 1 -12 13  8  o 34.686  1.7955  162.277   16.521    177.244   23.571    147.826   23.162    36.276  2.4401  33.096  2.6346  3.180099       3.590991 
1 1 1 -12 13  9  o 85.078  2.1774  971.321   49.602    1002.90   70.359    940.123   69.938    86.455  3.0384  83.701  3.1196  2.753670       4.354701 
1 1 1 -12 13  10 o 61.624  2.3104  502.625   36.503    538.488   61.800    483.409   45.237    63.217  3.6655  60.031  2.8134  3.186306       4.620728 
1 1 1 -12 13  11 o 75.735  4.4045  773.881   88.961    773.881   88.961    0.0000    0.0000    75.735  4.4045  ?       ?       ?              ?        
1 1 1 -12 13  12 o 172.894 3.5059  4025.07   162.354   4020.17   229.631   4029.97   229.574   172.788 4.9617  173.000 4.9544  -0.2117462     7.011704 
1 1 1 -12 13  13 o 61.149  1.9270  501.656   31.557    512.963   44.743    490.464   44.516    61.835  2.7015  60.462  2.7488  1.373150       3.854041 
1 1 1 -12 13  14 o 110.220 2.5192  1632.48   74.369    1610.71   105.080   1654.33   105.267   109.482 3.5833  110.959 3.5419  -1.476814      5.038427 
1 1 1 -12 13  15 o 89.534  2.2572  1076.94   54.131    1082.13   76.489    1071.72   76.616    89.752  3.1818  89.317  3.2025  0.4347610      4.514406 
1 1 1 -12 13  16 o 99.540  2.4203  1332.92   64.504    1373.61   91.166    1292.13   91.281    101.068 3.3677  98.012  3.4771  3.056732       4.840561 
1 1 1 -12 13  17 o 185.217 3.7230  4648.88   184.681   4573.17   260.809   4725.03   261.551   183.690 5.3009  186.745 5.2290  -3.054916      7.445933 
1 1 1 -12 13  18 f 67.158  2.0232  606.536   36.393    602.377   51.278    610.757   51.660    66.926  2.8605  67.390  2.8620  -0.4637680     4.046435 
1 1 1 -12 13  19 o 125.544 2.8122  2131.58   94.566    2133.22   133.431   2129.92   134.044   125.596 3.9663  125.493 3.9879  0.1035995      5.624498 
1 1 1 -12 13  20 o 34.161  1.8904  158.076   17.158    157.767   24.099    158.394   24.434    34.130  2.6572  34.193  2.6897  -0.6334686E-01 3.780867 
1 1 1 -12 13  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 13  22 f 64.716  2.0049  565.695   34.750    554.819   48.826    576.859   49.468    64.084  2.8445  65.348  2.8262  -1.264084      4.009849 
1 1 1 -12 13  23 o 52.327  1.9518  371.012   27.249    357.371   38.119    385.266   38.966    51.336  2.7826  53.318  2.7377  -1.981918      3.903596 
1 1 1 -12 13  24 o 45.167  1.9495  277.470   23.437    290.960   32.908    263.583   33.388    46.307  2.6644  44.027  2.8465  2.280678       3.898953 
1 1 1 -12 13  25 o 51.723  1.9858  363.614   27.390    346.728   38.356    381.185   39.127    50.483  2.8482  52.962  2.7678  -2.478947      3.971522 
1 1 1 -12 13  26 o 39.724  1.9843  215.500   20.958    220.181   29.260    210.567   30.034    40.188  2.7345  39.260  2.8762  0.9280815      3.968606 
1 1 1 -12 13  27 o 87.109  2.3488  1040.40   54.771    1068.13   76.933    1011.90   77.993    88.328  3.2518  85.891  3.3901  2.437653       4.697587 
1 1 1 -12 13  28 o 25.220  2.3043  89.106    14.795    66.808    20.426    113.716   21.459    21.714  3.6408  28.726  2.8255  -7.011471      4.608605 
1 1 1 -12 13  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 13  30 o 39.750  2.0684  219.106   21.850    224.283   30.555    213.688   31.258    40.266  2.8515  39.234  2.9971  1.032303       4.136882 
1 1 1 -12 13  31 o 15.524  2.8669  35.653    12.049    34.400    16.816    36.975    17.272    15.249  4.0491  15.799  4.0597  -0.5491791     5.733795 
1 1 1 -12 13  32 o 10.990  2.6735  13.319    10.881    27.560    14.966    -2.6489   15.847    13.670  3.8973  8.3101  3.6609  5.360332       5.347040 
1 1 1 -12 13  33 o 24.953  2.5115  90.368    16.220    99.301    22.832    81.268    23.046    26.339  3.3094  23.567  3.7786  2.772671       5.022975 
1 1 1 -12 13  34 o 9.5528  2.5314  -1.1883   11.113    24.936    16.015    -25.4512  15.434    13.025  4.1079  6.0801  2.9594  6.945417       5.062896 
1 1 1 -12 13  35 o 10.084  2.8001  8.6428    11.664    -1.6158   16.826    18.132    16.183    8.5994  3.7808  11.569  4.1315  -2.969557      5.600294 
1 1 1 -12 13  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 14  1  o 50.214  1.8023  338.718   24.183    347.581   33.993    329.638   34.410    50.916  2.4926  49.513  2.6038  1.402477       3.604528 
1 1 1 -12 14  2  o 125.070 2.7375  2101.39   91.643    2006.68   129.284   2197.03   129.924   122.230 3.9489  127.910 3.7922  -5.680367      5.474916 
1 1 1 -12 14  3  o 39.600  1.7592  211.080   18.564    208.400   26.172    213.795   26.337    39.345  2.4964  39.855  2.4795  -0.5095787     3.518480 
1 1 1 -12 14  4  o 72.083  2.0477  696.997   39.536    701.188   55.980    692.825   55.845    72.299  2.8907  71.866  2.9012  0.4328766      4.095495 
1 1 1 -12 14  5  o 165.921 3.4153  3704.94   151.710   3843.38   214.893   3567.39   214.208   169.025 4.7466  162.817 4.9119  6.207748       6.830564 
1 1 1 -12 14  6  o 96.888  2.3146  1259.88   60.065    1276.16   85.213    1243.80   84.678    97.511  3.2626  96.265  3.2841  1.245628       4.629217 
1 1 1 -12 14  7  f 80.972  2.1486  879.740   46.587    906.763   66.143    853.137   65.628    82.207  3.0039  79.736  3.0729  2.471382       4.297210 
1 1 1 -12 14  8  o 160.194 3.2926  3452.69   141.252   3537.35   200.081   3368.58   199.442   162.160 4.6065  158.229 4.7059  3.930984       6.585242 
1 1 1 -12 14  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 14  10 o 76.954  2.1207  794.623   43.711    804.036   62.030    785.339   61.605    77.407  2.9918  76.501  3.0065  0.9060440      4.241448 
1 1 1 -12 14  11 o 44.643  1.8844  268.345   22.419    278.946   31.802    257.871   31.610    45.527  2.6190  43.759  2.7102  1.767471       3.768843 
1 1 1 -12 14  12 o 104.912 2.4822  1478.94   69.733    1439.65   98.652    1518.17   98.582    103.515 3.5581  106.309 3.4621  -2.794342      4.964448 
1 1 1 -12 14  13 o 183.848 3.6703  4561.36   180.732   4509.67   255.537   4613.11   255.649   182.798 5.2191  184.898 5.1621  -2.100021      7.340696 
1 1 1 -12 14  14 o 72.673  2.0754  709.301   40.397    714.418   57.201    704.210   57.060    72.935  2.9281  72.411  2.9419  0.5238953      4.150747 
1 1 1 -12 14  15 o 35.303  1.8924  168.334   17.761    167.403   25.176    169.256   25.059    35.204  2.6903  35.402  2.6622  -0.1985855     3.784867 
1 1 1 -12 14  16 o 132.201 2.8756  2358.34   101.824   2373.82   143.935   2342.84   144.066   132.639 4.0514  131.763 4.0821  0.8755646      5.751275 
1 1 1 -12 14  17 o 130.053 2.8073  2284.68   97.792    2288.57   138.124   2280.76   138.474   130.167 3.9617  129.940 3.9787  0.2271576      5.614691 
1 1 1 -12 14  18 o 105.560 2.4926  1504.91   70.452    1546.60   99.510    1463.01   99.758    107.040 3.4708  104.081 3.5784  2.958588       4.985129 
1 1 1 -12 14  19 o 52.668  1.9370  375.345   27.141    414.792   38.378    335.873   38.389    55.505  2.5814  49.832  2.8886  5.673702       3.873955 
1 1 1 -12 14  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 14  21 o 15.931  2.4494  35.937    10.171    41.075    14.249    30.599    14.523    17.143  3.2216  14.720  3.6905  2.422798       4.898835 
1 1 1 -12 14  22 o 31.948  1.9620  139.387   16.570    149.320   23.246    129.126   23.627    33.141  2.6406  30.754  2.9026  2.387491       3.923985 
1 1 1 -12 14  23 o 34.342  1.9543  160.769   17.765    145.343   24.910    176.735   25.342    32.629  2.8798  36.055  2.6426  -3.425694      3.908515 
1 1 1 -12 14  24 o 19.557  2.3780  53.468    11.944    44.696    16.496    63.133    17.315    17.783  3.5871  21.332  3.1230  -3.549112      4.756097 
1 1 1 -12 14  25 o 15.038  2.6953  32.352    10.925    36.633    15.289    27.885    15.617    16.039  3.6421  14.037  3.9741  2.001948       5.390557 
1 1 1 -12 14  26 o 83.963  2.3259  966.286   52.285    989.939   73.546    942.117   74.345    85.036  3.2290  82.889  3.3486  2.147354       4.651827 
1 1 1 -12 14  27 o 28.221  2.1445  110.218   15.861    96.500    22.038    124.957   22.844    26.333  3.1897  30.109  2.8672  -3.776718      4.288947 
1 1 1 -12 14  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 14  29 o 28.644  2.2587  115.572   16.881    130.107   23.779    100.802   23.970    30.585  2.9389  26.703  3.4307  3.881903       4.517373 
1 1 1 -12 14  30 o 19.466  2.6155  55.581    13.080    63.323    18.166    47.246    18.849    21.050  3.3329  17.882  4.0317  3.168150       5.230961 
1 1 1 -12 14  31 o 10.300  2.8150  11.076    11.032    11.442    15.560    10.706    15.645    10.356  3.9832  10.243  3.9788  0.1135368      5.629971 
1 1 1 -12 14  32 o 13.891  2.9458  28.516    11.912    23.960    16.612    33.338    17.090    12.883  4.1958  14.899  4.1360  -2.015994      5.891603 
1 1 1 -12 14  33 o 23.857  2.5951  82.988    16.015    75.679    22.175    90.957    23.155    22.682  3.7832  25.032  3.5532  -2.349852      5.190148 
1 1 1 -12 14  34 f 27.831  2.6258  115.491   18.535    139.214   25.829    90.307    26.613    31.208  3.1322  24.454  4.2152  6.753811       5.251506 
1 1 1 -12 14  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 15  1  o 88.357  2.2184  1047.98   52.483    1073.04   73.907    1022.50   74.540    89.425  3.0856  87.288  3.1882  2.136650       4.436824 
1 1 1 -12 15  2  o 199.129 3.9312  5344.20   209.668   5278.42   296.164   5410.30   296.866   197.895 5.5874  200.364 5.5316  -2.469589      7.862431 
1 1 1 -12 15  3  o 201.447 3.9907  5471.83   215.260   5309.90   304.238   5634.15   304.609   198.443 5.7239  204.451 5.5624  -6.007782      7.981426 
1 1 1 -12 15  4  o 226.227 4.4332  6910.91   268.628   6904.22   380.005   6917.60   379.791   226.116 6.2744  226.338 6.2647  -0.2218018     8.866440 
1 1 1 -12 15  5  o 163.827 3.3689  3612.03   147.823   3571.99   209.189   3651.97   208.918   162.916 4.7939  164.739 4.7347  -1.823715      6.737834 
1 1 1 -12 15  6  o 286.182 5.4655  11109.58  418.937   11021.07  592.654   11197.99  592.279   285.026 7.7630  287.337 7.6957  -2.310486      10.93099 
1 1 1 -12 15  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 15  8  o 137.163 3.5427  2520.73   123.846   2491.95   152.782   2575.89   211.489   136.142 4.1898  138.184 5.7140  -2.042435      7.085495 
1 1 1 -12 15  9  o 198.411 3.9478  5310.77   209.782   5397.41   296.985   5224.48   296.368   200.036 5.5429  196.785 5.6228  3.251099       7.895520 
1 1 1 -12 15  10 o 115.354 2.6016  1788.12   80.384    1786.91   113.781   1789.34   113.579   115.315 3.6838  115.394 3.6747  -0.7947540E-01 5.203263 
1 1 1 -12 15  11 o 72.639  2.0655  708.284   40.186    715.469   56.971    701.171   56.692    73.006  2.9135  72.272  2.9286  0.7340393      4.130975 
1 1 1 -12 15  12 o 106.473 2.5418  1524.33   72.488    1534.04   102.637   1514.67   102.390   106.812 3.5875  106.134 3.6018  0.6780396      5.083601 
1 1 1 -12 15  13 o 102.470 2.4912  1412.70   68.365    1387.18   96.722    1438.17   96.642    101.541 3.5563  103.399 3.4895  -1.858261      4.982310 
1 1 1 -12 15  14 o 152.696 3.2446  3150.67   132.681   3082.45   187.539   3219.04   187.739   151.027 4.6360  154.365 4.5406  -3.338333      6.489249 
1 1 1 -12 15  15 o 37.123  1.9306  186.366   19.030    199.107   27.011    173.807   26.816    38.401  2.6421  35.845  2.8157  2.556145       3.861216 
1 1 1 -12 15  16 o 108.557 2.5600  1590.49   74.433    1602.40   105.197   1578.56   105.331   108.967 3.6043  108.146 3.6363  0.8211746      5.119902 
1 1 1 -12 15  17 o 153.462 3.2045  3200.49   131.681   3286.06   186.116   3114.71   186.335   155.548 4.4671  151.376 4.5957  4.171417       6.409024 
1 1 1 -12 15  18 o 94.159  2.3612  1198.65   59.550    1206.78   84.191    1190.50   84.240    94.483  3.3268  93.836  3.3517  0.6462173      4.722415 
1 1 1 -12 15  19 o 9.9264  2.6229  10.183    9.3240    11.099    12.246    8.9195    14.382    9.9167  3.5876  9.9360  3.8273  -0.1927280E-01 5.245893 
1 1 1 -12 15  20 o 45.786  1.9272  284.142   23.502    267.505   32.979    301.311   33.502    44.407  2.7868  47.165  2.6628  -2.757805      3.854434 
1 1 1 -12 15  21 o 33.839  1.9465  155.898   17.475    148.257   24.595    163.687   24.834    32.985  2.8106  34.694  2.6935  -1.708698      3.892930 
1 1 1 -12 15  22 o 33.827  1.9749  156.001   17.670    139.947   24.666    172.924   25.324    32.002  2.9094  35.651  2.6714  -3.649208      3.949797 
1 1 1 -12 15  23 o 46.829  1.9701  298.341   24.587    285.981   34.467    311.147   35.084    45.829  2.8216  47.829  2.7502  -2.000057      3.940205 
1 1 1 -12 15  24 o 50.660  2.0017  349.720   27.036    332.778   37.798    367.468   38.686    49.389  2.8697  51.932  2.7914  -2.543350      4.003357 
1 1 1 -12 15  25 o 16.821  2.5227  42.425    11.619    67.010    16.162    16.128    16.716    22.013  2.8050  11.628  4.1939  10.38439       5.045481 
1 1 1 -12 15  26 o 34.335  2.0569  162.276   18.665    144.921   25.984    180.777   26.829    32.386  3.0306  36.283  2.7818  -3.896980      4.113772 
1 1 1 -12 15  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 15  28 o 16.945  2.8035  42.085    12.524    37.589    17.655    46.639    17.769    15.989  4.1023  17.901  3.8222  -1.912156      5.606968 
1 1 1 -12 15  29 o 18.329  2.7789  49.424    13.230    49.672    18.466    49.162    18.964    18.398  3.8699  18.259  3.9891  0.1393280      5.557805 
1 1 1 -12 15  30 o 23.393  2.5034  79.442    15.063    88.812    21.034    69.578    21.581    24.984  3.2179  21.802  3.8357  3.181833       5.006720 
1 1 1 -12 15  31 o 25.906  2.4272  96.740    16.372    102.554   22.890    90.649    23.428    26.803  3.2552  25.009  3.6012  1.793875       4.854407 
1 1 1 -12 15  32 o 19.448  2.8196  58.388    14.333    81.795    20.121    34.271    20.424    23.879  3.2287  15.018  4.6235  8.860940       5.639279 
1 1 1 -12 15  33 o 17.835  3.0940  49.127    14.669    50.202    20.497    47.997    21.003    18.074  4.2970  17.596  4.4527  0.4776421      6.187938 
1 1 1 -12 15  34 o 26.256  3.7025  102.473   25.316    0.0000    0.0000    102.473   25.316    ?       ?       26.256  3.7025  ?              ?        
1 1 1 -12 16  1  o 135.471 2.9114  2466.91   105.640   2455.55   148.904   2478.41   149.894   135.158 4.1132  135.784 4.1214  -0.6264801     5.822733 
1 1 1 -12 16  2  o 71.225  2.0305  680.618   38.736    679.506   54.602    681.745   54.962    71.166  2.8645  71.283  2.8786  -0.1165161     4.061003 
1 1 1 -12 16  3  o 127.320 2.8331  2178.73   96.613    2194.51   136.577   2162.92   136.684   127.784 3.9904  126.857 4.0227  0.9265594      5.666134 
1 1 1 -12 16  4  o 190.087 3.8379  4870.75   195.404   4872.96   276.408   4868.54   276.277   190.130 5.4276  190.044 5.4275  0.8639526E-01  7.675770 
1 1 1 -12 16  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 16  6  o 26.899  4.5755  100.050   31.786    100.050   31.786    0.0000    0.0000    26.899  4.5755  ?       ?       ?              ?        
1 1 1 -12 16  7  o 20.078  2.1869  55.333    11.364    59.922    16.302    50.996    15.849    20.919  2.9949  19.237  3.1876  1.682419       4.373834 
1 1 1 -12 16  8  o 114.106 2.6425  1749.84   80.760    1773.89   114.556   1726.07   113.871   114.887 3.7227  113.325 3.7515  1.562164       5.285069 
1 1 1 -12 16  9  o 70.103  2.0493  660.456   38.425    622.878   54.516    697.555   54.168    68.114  2.9881  72.092  2.8052  -3.978081      4.098538 
1 1 1 -12 16  10 o 90.071  2.3216  1090.09   55.998    1118.60   79.435    1061.92   78.952    91.245  3.2502  88.897  3.3158  2.347656       4.643127 
1 1 1 -12 16  11 o 93.856  2.3322  1184.21   58.629    1186.51   83.116    1181.94   82.712    93.946  3.3031  93.766  3.2933  0.1797180      4.664391 
1 1 1 -12 16  12 o 95.639  2.3752  1230.71   60.839    1209.51   86.101    1251.85   85.977    94.813  3.3904  96.466  3.3275  -1.653313      4.750485 
1 1 1 -12 16  13 o 42.152  1.9478  239.796   21.846    254.783   31.149    225.288   30.648    43.461  2.6890  40.843  2.8188  2.618370       3.895689 
1 1 1 -12 16  14 o 97.204  2.4027  1273.41   62.552    1292.59   88.635    1254.37   88.291    97.936  3.3789  96.471  3.4169  1.465424       4.805405 
1 1 1 -12 16  15 f 90.812  2.3268  1112.22   56.596    1117.21   80.049    1107.24   80.030    91.017  3.2835  90.607  3.2976  0.4100571      4.653596 
1 1 1 -12 16  16 o 40.473  1.8860  221.628   20.315    211.897   28.731    231.359   28.730    39.571  2.7273  41.374  2.6058  -1.803448      3.772075 
1 1 1 -12 16  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 16  18 o 89.741  2.3342  1091.62   56.068    1137.68   79.281    1045.53   79.303    91.658  3.2293  87.824  3.3712  3.833893       4.668350 
1 1 1 -12 16  19 o 39.319  1.9419  209.941   20.322    211.712   28.778    208.180   28.701    39.487  2.7379  39.151  2.7545  0.3356781      3.883706 
1 1 1 -12 16  20 o 54.932  2.0035  409.654   29.375    416.443   41.454    402.806   41.631    55.398  2.8028  54.466  2.8637  0.9324951      4.007080 
1 1 1 -12 16  21 o 25.430  2.2497  90.830    14.305    62.039    19.944    121.339   20.531    21.021  3.6759  29.840  2.5946  -8.818508      4.499365 
1 1 1 -12 16  22 f 43.174  1.9605  253.830   22.543    245.347   31.642    262.574   32.126    42.432  2.7999  43.916  2.7449  -1.484894      3.920914 
1 1 1 -12 16  23 o 101.319 2.5180  1408.50   68.327    1381.91   96.211    1435.56   97.053    100.341 3.5798  102.297 3.5421  -1.955284      5.035989 
1 1 1 -12 16  24 o 44.309  1.9899  268.624   23.494    266.054   33.122    271.227   33.330    44.094  2.8192  44.525  2.8091  -0.4316063     3.979843 
1 1 1 -12 16  25 o 7.1665  2.2177  -4.9628   8.5172    3.7959    12.162    -13.3931  11.932    8.3533  3.4182  5.9796  2.8264  2.373750       4.435394 
1 1 1 -12 16  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 16  27 o 15.646  2.7950  35.960    11.896    44.532    16.837    27.414    16.811    17.511  3.7053  13.782  4.1856  3.728532       5.590068 
1 1 1 -12 16  28 o 15.845  2.8017  37.062    12.221    24.565    17.093    50.130    17.480    13.130  4.2549  18.560  3.6461  -5.430241      5.603452 
1 1 1 -12 16  29 o 12.630  2.9614  22.399    11.713    19.352    16.170    25.763    16.991    11.942  4.1409  13.317  4.2346  -1.374984      5.922704 
1 1 1 -12 16  30 o 44.617  2.1777  282.225   25.597    322.706   36.026    240.955   36.375    48.065  2.8105  41.169  3.3271  6.896206       4.355310 
1 1 1 -12 16  31 o 25.897  2.4999  97.337    16.761    84.897    23.506    110.206   23.907    24.055  3.7723  27.739  3.2813  -3.683870      4.999713 
1 1 1 -12 16  32 o 41.244  2.2234  242.728   24.339    251.744   34.008    233.262   34.847    42.118  3.0349  40.370  3.2502  1.747875       4.446839 
1 1 1 -12 16  33 o 17.857  4.4630  50.280    21.287    0.0000    0.0000    50.280    21.287    ?       ?       17.857  4.4630  ?              ?        
1 1 1 -12 17  1  f 89.910  2.2751  1085.08   54.785    1070.80   77.035    1099.69   77.929    89.311  3.2203  90.508  3.2146  -1.197365      4.550117 
1 1 1 -12 17  2  o 161.199 3.3330  3498.04   143.890   3425.22   203.069   3571.48   203.915   159.507 4.7531  162.891 4.6737  -3.384033      6.665982 
1 1 1 -12 17  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 17  4  o 37.396  2.2423  187.089   21.444    181.807   26.799    196.492   35.756    36.709  2.7454  38.083  3.5461  -1.373520      4.484624 
1 1 1 -12 17  5  o 185.078 3.7681  4620.62   186.756   4512.48   264.165   4728.67   264.061   182.897 5.3924  187.259 5.2647  -4.361679      7.536231 
1 1 1 -12 17  6  o 129.368 2.8249  2251.03   97.874    2210.62   138.516   2291.31   138.313   128.203 4.0338  130.532 3.9560  -2.329498      5.649891 
1 1 1 -12 17  7  o 100.689 2.4564  1362.57   66.216    1417.03   93.971    1308.86   93.318    102.693 3.4164  98.685  3.5304  4.008430       4.912780 
1 1 1 -12 17  8  o 183.702 3.7483  4559.00   184.427   4597.99   261.189   4520.23   260.452   184.490 5.2856  182.914 5.3161  1.575851       7.496534 
1 1 1 -12 17  9  o 33.147  1.9445  149.066   17.012    132.186   24.083    165.879   24.035    31.236  2.9121  35.059  2.5776  -3.822767      3.888967 
1 1 1 -12 17  10 o 89.879  2.2847  1086.46   54.998    1078.54   78.005    1094.28   77.555    89.551  3.2521  90.207  3.2098  -0.6562042     4.569371 
1 1 1 -12 17  11 o 83.584  2.2501  939.929   50.367    961.613   71.511    918.584   70.952    84.544  3.1579  82.625  3.2060  1.918938       4.500103 
1 1 1 -12 17  12 o 100.466 2.4690  1360.55   66.437    1346.38   94.088    1374.64   93.826    99.940  3.5148  100.993 3.4685  -1.052086      4.938069 
1 1 1 -12 17  13 o 84.970  2.2492  972.945   51.190    978.021   72.528    967.906   72.261    85.191  3.1785  84.749  3.1833  0.4424820      4.498482 
1 1 1 -12 17  14 o 126.849 2.8250  2179.86   95.981    2189.84   135.820   2169.91   135.655   127.141 3.9883  126.556 4.0019  0.5847702      5.649910 
1 1 1 -12 17  15 o 76.057  2.1678  781.272   44.119    824.100   62.578    738.945   62.210    78.145  2.9897  73.969  3.1400  4.176437       4.335636 
1 1 1 -12 17  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 17  17 o 35.088  1.9346  167.285   18.039    168.037   25.547    166.538   25.474    35.168  2.7335  35.009  2.7385  0.1590576      3.869299 
1 1 1 -12 17  18 o 61.712  2.0426  515.680   33.742    493.133   47.608    538.438   47.830    60.343  2.9455  63.081  2.8308  -2.737709      4.085277 
1 1 1 -12 17  19 o 60.084  2.0340  489.362   32.712    510.988   46.318    467.841   46.205    61.424  2.8153  58.745  2.9365  2.679287       4.068042 
1 1 1 -12 17  20 o 9.6382  2.5057  10.061    8.5841    6.9541    12.525    12.814    11.788    9.0891  3.5519  10.187  3.5354  -1.098290      5.011485 
1 1 1 -12 17  21 o 74.680  2.1908  759.647   43.811    738.375   61.777    781.169   62.140    73.614  3.1332  75.746  3.0628  -2.132004      4.381506 
1 1 1 -12 17  22 o 87.648  2.3861  1052.65   55.996    1015.25   78.898    1090.60   79.487    86.051  3.4231  89.246  3.3252  -3.194351      4.772277 
1 1 1 -12 17  23 o 60.974  2.0834  507.951   34.010    487.843   47.746    528.663   48.458    59.733  2.9842  62.214  2.9079  -2.481003      4.166753 
1 1 1 -12 17  24 o 27.416  2.2769  106.059   15.965    81.513    22.514    130.884   22.641    24.009  3.6129  30.823  2.7721  -6.814173      4.553824 
1 1 1 -12 17  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 17  26 o 16.970  2.7351  42.323    12.236    33.892    17.270    50.821    17.338    15.175  4.1357  18.765  3.5803  -3.589425      5.470176 
1 1 1 -12 17  27 o 34.873  2.1425  170.265   19.808    165.914   27.633    174.865   28.410    34.413  3.0287  35.334  3.0312  -0.9208183     4.285040 
1 1 1 -12 17  28 o 33.146  2.2385  156.059   19.455    176.100   27.395    135.670   27.632    35.453  2.9106  30.839  3.4018  4.613880       4.477068 
1 1 1 -12 17  29 o 19.726  2.8131  57.995    14.348    67.103    20.500    49.249    20.088    21.400  3.7111  18.052  4.2287  3.347391       5.626229 
1 1 1 -12 17  30 o 33.518  2.2879  160.110   20.280    156.805   28.371    163.562   29.000    33.162  3.2354  33.874  3.2357  -0.7120018     4.575702 
1 1 1 -12 17  31 o 10.156  2.8135  7.0943    12.108    -6.5077   17.050    20.932    17.198    8.1053  3.6666  12.206  4.2683  -4.100541      5.626921 
1 1 1 -12 17  32 o 7.8952  3.5828  -6.4652   16.432    0.0000    0.0000    -6.4652   16.432    ?       ?       7.8952  3.5828  ?              ?        
1 1 1 -12 18  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 18  2  o 20.813  2.2466  59.571    12.091    65.093    17.170    54.139    17.030    21.815  3.0195  19.810  3.3274  2.004688       4.493247 
1 1 1 -12 18  3  o 115.311 2.6121  1787.21   80.678    1780.12   113.889   1794.35   114.303   115.081 3.6948  115.540 3.6935  -0.4593277     5.224285 
1 1 1 -12 18  4  o 170.538 3.4952  3921.74   159.653   3899.43   225.783   3944.05   225.784   170.050 4.9571  171.027 4.9288  -0.9768372     6.990396 
1 1 1 -12 18  5  f 182.916 3.6967  4517.71   181.112   4540.98   256.275   4494.50   255.988   183.390 5.2172  182.443 5.2385  0.9469147      7.393325 
1 1 1 -12 18  6  o 143.028 3.0771  2756.69   117.883   2761.43   166.898   2751.97   166.528   143.150 4.3528  142.905 4.3506  0.2449493      6.154240 
1 1 1 -12 18  7  o 100.867 2.4583  1369.04   66.390    1327.81   94.045    1409.99   93.735    99.346  3.5342  102.389 3.4179  -3.043221      4.916589 
1 1 1 -12 18  8  o 110.762 2.5958  1652.30   77.001    1627.97   109.098   1676.45   108.696   109.944 3.7047  111.580 3.6369  -1.636391      5.191547 
1 1 1 -12 18  9  o 87.646  2.2905  1033.67   53.765    1055.99   76.416    1011.79   75.660    88.585  3.2206  86.707  3.2578  1.878571       4.580969 
1 1 1 -12 18  10 o 44.693  1.9410  269.658   23.114    264.251   32.876    274.944   32.505    44.243  2.7885  45.143  2.7007  -0.9004593     3.881912 
1 1 1 -12 18  11 o 146.428 3.1819  2906.84   124.793   2895.30   176.767   2918.32   176.202   146.132 4.5161  146.725 4.4835  -0.5926208     6.363762 
1 1 1 -12 18  12 o 65.257  2.0483  573.651   35.790    594.483   50.893    553.268   50.341    66.434  2.8601  64.081  2.9330  2.353760       4.096648 
1 1 1 -12 18  13 o 114.822 2.6618  1786.37   81.857    1764.70   115.883   1807.94   115.644   114.117 3.7912  115.526 3.7373  -1.408791      5.323565 
1 1 1 -12 18  14 o 31.102  4.5169  134.646   36.528    0.0000    0.0000    134.646   36.528    ?       ?       31.102  4.5169  ?              ?        
1 1 1 -12 18  15 o 16.953  2.4642  40.459    10.815    37.041    15.339    43.838    15.251    16.203  3.6251  17.703  3.3387  -1.500622      4.928340 
1 1 1 -12 18  16 o 50.444  1.9636  345.184   26.391    368.018   37.520    322.823   37.129    52.118  2.6970  48.770  2.8548  3.348637       3.927251 
1 1 1 -12 18  17 o 36.475  1.9594  181.132   18.965    194.378   26.987    168.208   26.657    37.819  2.6815  35.132  2.8576  2.687428       3.918744 
1 1 1 -12 18  18 o 19.370  2.4096  53.156    11.891    66.859    16.912    39.757    16.723    22.014  2.9417  16.726  3.8171  5.287737       4.819109 
1 1 1 -12 18  19 o 21.549  2.3083  64.971    12.793    74.592    18.105    55.377    18.079    23.249  2.9757  19.850  3.5296  3.398443       4.616549 
1 1 1 -12 18  20 o 30.749  2.0557  129.847   16.704    122.629   23.671    137.007   23.574    29.866  2.9995  31.632  2.8118  -1.765200      4.111363 
1 1 1 -12 18  21 o 38.883  2.0163  207.092   20.814    222.808   29.673    191.867   29.205    40.370  2.7608  37.396  2.9393  2.973587       4.032546 
1 1 1 -12 18  22 o 9.9715  2.5915  9.2256    9.6319    18.734    13.962    0.5897    13.305    11.782  3.8470  8.1607  3.4732  3.621601       5.182918 
1 1 1 -12 18  23 o 18.584  2.6250  50.322    13.148    86.853    19.257    18.423    17.995    25.002  2.9312  12.167  4.3554  12.83572       5.249903 
1 1 1 -12 18  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 18  25 o 28.752  2.2275  116.164   16.861    111.502   23.794    120.866   23.896    28.139  3.2147  29.365  3.0842  -1.225788      4.454967 
1 1 1 -12 18  26 o 12.988  2.8530  23.644    11.306    32.704    16.393    15.424    15.615    14.849  4.0222  11.127  4.0472  3.721994       5.705959 
1 1 1 -12 18  27 o 25.595  2.4172  93.963    16.137    88.457    22.591    99.699    23.057    24.779  3.5014  26.412  3.3334  -1.633314      4.834410 
1 1 1 -12 18  28 o 15.588  2.9929  36.737    12.965    43.667    18.352    29.832    18.318    17.034  4.0767  14.141  4.3829  2.892798       5.985761 
1 1 1 -12 18  29 o 9.7702  2.7581  8.3511    10.975    4.8759    15.639    11.724    15.407    9.2301  3.8362  10.310  3.9640  -1.080278      5.516276 
1 1 1 -12 18  30 o 11.046  2.4054  7.0082    11.189    -25.4835  16.029    37.882    15.625    6.2278  3.0278  15.864  3.7385  -9.636712      4.810785 
1 1 1 -12 18  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 19  1  o 32.741  1.9155  144.827   16.642    139.931   23.379    149.855   23.694    32.173  2.7391  33.309  2.6785  -1.135910      3.831018 
1 1 1 -12 19  2  o 224.712 4.4234  6845.98   266.107   6587.24   375.640   7106.64   377.027   220.402 6.3631  229.022 6.1462  -8.619476      8.846715 
1 1 1 -12 19  3  o 83.703  2.2023  941.468   49.353    906.618   69.647    976.617   69.945    82.142  3.1655  85.263  3.0627  -3.121101      4.404657 
1 1 1 -12 19  4  o 203.019 4.0273  5584.09   218.996   5621.76   309.773   5546.44   309.642   203.711 5.6773  202.327 5.7137  1.384064       8.054678 
1 1 1 -12 19  5  o 112.751 2.6169  1712.56   78.970    1633.43   111.599   1791.92   111.761   110.128 3.7833  115.375 3.6165  -5.247154      5.233821 
1 1 1 -12 19  6  o 80.537  2.2056  872.336   47.578    875.850   67.383    868.844   67.188    80.699  3.1174  80.375  3.1209  0.3238068      4.411176 
1 1 1 -12 19  7  o 35.815  1.9942  173.523   18.971    168.817   26.781    178.262   26.878    35.320  2.8553  36.310  2.7849  -0.9897156     3.988485 
1 1 1 -12 19  8  o 55.775  1.9925  419.442   29.668    422.845   42.179    416.109   41.739    55.999  2.8212  55.551  2.8144  0.4481201      3.984923 
1 1 1 -12 19  9  o 86.469  2.2811  1007.71   52.829    1022.67   75.048    993.023   74.379    87.107  3.2166  85.832  3.2353  1.275124       4.562189 
1 1 1 -12 19  10 o 41.933  1.9517  237.719   21.793    245.790   31.050    229.883   30.594    42.641  2.7330  41.225  2.7870  1.416542       3.903423 
1 1 1 -12 19  11 o 113.449 2.6483  1743.79   80.453    1704.44   113.997   1782.83   113.561   112.156 3.7947  114.741 3.6951  -2.584785      5.296559 
1 1 1 -12 19  12 o 66.796  2.0953  602.489   37.486    600.286   53.219    604.657   52.809    66.672  2.9801  66.921  2.9462  -0.2485886     4.190590 
1 1 1 -12 19  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 19  14 o 37.013  1.9520  186.707   19.131    168.851   27.153    204.309   26.959    35.212  2.9048  38.814  2.6083  -3.601231      3.904029 
1 1 1 -12 19  15 o 41.721  1.9615  236.561   21.791    232.393   30.887    240.692   30.746    41.347  2.8056  42.095  2.7419  -0.7488708     3.922903 
1 1 1 -12 19  16 o 36.024  1.9942  176.790   19.070    186.955   27.241    167.020   26.707    37.057  2.7643  34.990  2.8750  2.066647       3.988400 
1 1 1 -12 19  17 o 46.986  2.0003  301.192   24.951    270.375   35.244    332.156   35.329    44.523  2.9725  49.448  2.6774  -4.925568      4.000502 
1 1 1 -12 19  18 o 42.830  1.9942  250.163   22.748    252.675   32.336    247.702   32.009    43.044  2.8203  42.617  2.8201  0.4275131      3.988319 
1 1 1 -12 19  19 f 16.172  2.6637  37.569    11.369    31.882    16.242    43.033    15.919    14.931  3.9865  17.412  3.5342  -2.480314      5.327480 
1 1 1 -12 19  20 o 58.776  2.0971  472.636   32.947    460.888   46.592    484.387   46.597    57.991  3.0100  59.560  2.9209  -1.569679      4.194213 
1 1 1 -12 19  21 o 42.371  2.0632  246.956   23.239    263.276   33.084    231.061   32.650    43.790  2.8359  40.952  2.9974  2.837456       4.126328 
1 1 1 -12 19  22 o 8.7918  2.5324  2.0725    10.108    -9.3990   14.880    11.901    13.773    7.3412  3.3611  10.242  3.7889  -2.901223      5.064839 
1 1 1 -12 19  23 o 21.871  2.5575  68.595    14.428    62.994    20.373    74.230    20.436    20.893  3.7797  22.850  3.4462  -1.956455      5.114967 
1 1 1 -12 19  24 o 42.227  2.1126  248.594   23.732    242.694   33.679    254.413   33.445    41.701  3.0361  42.754  2.9384  -1.053535      4.225202 
1 1 1 -12 19  25 o 35.840  2.1777  180.745   20.665    191.833   29.205    169.628   29.244    37.007  2.9714  34.673  3.1844  2.333466       4.355393 
1 1 1 -12 19  26 o 15.488  2.9625  36.054    12.664    30.923    17.799    41.314    18.023    14.387  4.2929  16.588  4.0838  -2.200062      5.925089 
1 1 1 -12 19  27 o 14.876  2.9592  33.394    12.682    43.156    17.691    23.073    18.190    16.965  3.9646  12.788  4.3943  4.176811       5.918478 
1 1 1 -12 19  28 f 26.272  2.5825  100.921   17.604    110.534   24.963    91.411    24.828    27.652  3.4451  24.892  3.8481  2.759678       5.164916 
1 1 1 -12 19  29 o 35.641  2.3347  182.961   22.019    174.443   30.787    191.880   31.505    34.751  3.3490  36.531  3.2539  -1.779667      4.669416 
1 1 1 -12 19  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 20  1  o 211.493 4.1844  6069.60   237.038   6042.12   334.543   6097.31   335.906   211.012 5.9191  211.975 5.9162  -0.9628296     8.368833 
1 1 1 -12 20  2  o 124.077 2.7821  2074.73   92.443    2023.77   130.287   2126.39   131.187   122.536 3.9696  125.618 3.8990  -3.082420      5.564164 
1 1 1 -12 20  3  o 93.277  2.3430  1171.05   58.508    1124.49   82.507    1218.14   82.980    91.404  3.3700  95.150  3.2559  -3.745628      4.685969 
1 1 1 -12 20  4  o 73.326  2.1259  723.142   41.749    707.091   58.789    739.473   59.298    72.503  3.0273  74.149  2.9857  -1.646057      4.251897 
1 1 1 -12 20  5  o 70.379  2.1118  666.523   39.796    644.112   56.120    689.191   56.440    69.184  3.0285  71.574  2.9441  -2.389473      4.223644 
1 1 1 -12 20  6  o 37.900  1.9299  194.548   19.398    177.277   27.402    211.895   27.463    36.187  2.8502  39.614  2.6027  -3.427612      3.859785 
1 1 1 -12 20  7  o 28.435  2.0101  109.985   15.095    106.895   21.479    113.001   21.218    28.027  2.9033  28.843  2.7809  -0.8160667     4.020285 
1 1 1 -12 20  8  o 8.8311  2.3196  6.2614    7.8175    14.138    11.195    -1.2333   10.921    10.467  3.4463  7.1957  3.1058  3.270914       4.639297 
1 1 1 -12 20  9  o 23.268  2.1363  74.268    12.977    79.386    18.494    69.304    18.214    24.087  2.9266  22.449  3.1130  1.638346       4.272687 
1 1 1 -12 20  10 o 79.256  2.2257  849.548   47.227    824.188   67.006    874.583   66.575    78.067  3.2045  80.446  3.0897  -2.378777      4.451389 
1 1 1 -12 20  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 20  12 o 27.592  2.0619  104.317   14.962    96.500    21.243    112.014   21.077    26.527  3.0448  28.656  2.7810  -2.128958      4.123714 
1 1 1 -12 20  13 o 47.104  1.9962  301.856   25.005    278.318   35.405    325.282   35.321    45.236  2.9380  48.973  2.7031  -3.737556      3.992357 
1 1 1 -12 20  14 o 41.751  1.9953  237.538   22.143    225.073   31.587    249.585   31.051    40.644  2.9210  42.858  2.7191  -2.213623      3.990648 
1 1 1 -12 20  15 f 13.184  2.5808  23.873    10.064    11.843    14.209    35.983    14.256    10.420  3.8495  15.949  3.4384  -5.529289      5.161525 
1 1 1 -12 20  16 o 51.551  2.0395  362.822   27.963    332.208   39.610    393.239   39.482    49.333  3.0121  53.770  2.7506  -4.437008      4.079051 
1 1 1 -12 20  17 o 35.107  2.0280  168.793   18.891    162.116   26.709    175.476   26.722    34.392  2.9274  35.822  2.8075  -1.430389      4.056032 
1 1 1 -12 20  18 o 15.216  2.7482  33.381    11.334    27.548    16.305    38.836    15.767    13.950  4.0952  16.483  3.6660  -2.532863      5.496389 
1 1 1 -12 20  19 o 26.891  2.2440  100.559   15.843    97.809    22.476    103.274   22.337    26.503  3.2332  27.280  3.1127  -0.7769814     4.487983 
1 1 1 -12 20  20 o 12.891  2.7590  23.080    10.749    14.339    15.319    31.558    15.086    11.006  4.0078  14.776  3.7927  -3.769444      5.517921 
1 1 1 -12 20  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 20  22 o 10.897  2.6817  13.160    10.601    0.1565    15.270    25.257    14.729    8.5739  3.6866  13.220  3.8955  -4.645679      5.363398 
1 1 1 -12 20  23 o 35.822  2.1832  179.915   20.686    196.743   29.635    163.926   28.887    37.524  2.9729  34.120  3.1982  3.403706       4.366500 
1 1 1 -12 20  24 o 32.727  2.2362  151.380   19.358    151.471   27.426    151.290   27.327    32.734  3.1676  32.720  3.1573  0.1404572E-01  4.472424 
1 1 1 -12 20  25 o 32.492  2.2775  150.099   19.526    140.832   27.552    159.451   27.676    31.416  3.3248  33.569  3.1135  -2.153307      4.555011 
1 1 1 -12 20  26 o 11.586  2.8826  17.929    11.296    12.616    16.495    22.622    15.502    10.663  4.1011  12.509  4.0519  -1.845829      5.765156 
1 1 1 -12 20  27 o 16.053  2.9490  39.058    14.149    16.068    20.045    61.884    19.974    11.702  4.5154  20.404  3.7944  -8.701163      5.897999 
1 1 1 -12 20  28 o 22.098  2.8565  74.005    16.277    70.484    23.010    77.532    23.030    21.494  4.1471  22.703  3.9294  -1.209602      5.712989 
1 1 1 -12 20  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 21  1  o 154.239 3.2565  3220.04   134.524   3161.21   189.548   3279.75   190.950   152.811 4.6310  155.668 4.5796  -2.857162      6.513031 
1 1 1 -12 21  2  o 95.310  2.3706  1224.31   60.456    1154.68   85.073    1295.35   85.930    92.558  3.4316  98.062  3.2715  -5.504227      4.741150 
1 1 1 -12 21  3  o 75.510  2.1264  767.875   42.960    722.812   60.448    813.862   61.065    73.261  3.0805  77.759  2.9320  -4.497742      4.252756 
1 1 1 -12 21  4  o 10.911  2.5266  14.968    8.7330    20.425    12.408    9.6122    12.293    12.194  3.5705  9.6277  3.5759  2.565844       5.053272 
1 1 1 -12 21  5  o 49.309  1.9451  328.477   25.576    339.307   36.149    317.622   36.191    50.133  2.7021  48.485  2.7987  1.647594       3.890193 
1 1 1 -12 21  6  o 11.547  2.5449  17.644    8.9411    11.993    12.758    23.098    12.534    10.227  3.6666  12.868  3.5302  -2.641652      5.089846 
1 1 1 -12 21  7  o 44.045  1.9421  262.577   22.789    271.198   32.305    254.037   32.154    44.774  2.7064  43.316  2.7862  1.458168       3.884260 
1 1 1 -12 21  8  o 52.474  1.9793  372.744   27.709    362.931   39.213    382.531   39.161    51.774  2.8385  53.173  2.7591  -1.399342      3.958509 
1 1 1 -12 21  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 21  10 o 23.777  2.1892  77.908    13.597    75.322    19.377    80.416    19.085    23.364  3.1789  24.190  3.0108  -0.8253651     4.378371 
1 1 1 -12 21  11 f 37.384  2.0146  190.230   19.991    203.498   28.561    177.487   27.991    38.684  2.7749  36.083  2.9213  2.600822       4.029147 
1 1 1 -12 21  12 o 27.063  2.1557  100.730   15.261    113.463   21.822    88.544    21.350    28.797  2.8673  25.328  3.2197  3.469194       4.311373 
1 1 1 -12 21  13 o 37.484  2.0345  192.340   20.181    174.691   28.756    209.467   28.329    35.736  3.0329  39.232  2.7126  -3.495533      4.068953 
1 1 1 -12 21  14 f 29.040  2.1175  115.915   16.210    109.512   22.929    122.314   22.921    28.207  3.0851  29.872  2.9012  -1.664608      4.234946 
1 1 1 -12 21  15 o 77.518  2.2828  820.544   47.395    833.147   67.217    808.082   66.839    78.117  3.2125  76.918  3.2442  1.198593       4.565664 
1 1 1 -12 21  16 o 65.669  2.1748  589.003   38.236    612.837   54.389    565.715   53.763    67.001  3.0307  64.337  3.1199  2.663864       4.349567 
1 1 1 -12 21  17 o 11.632  2.4366  14.579    10.134    -6.2307   14.362    35.215    14.302    7.5670  3.3993  15.697  3.4918  -8.129662      4.873188 
1 1 1 -12 21  18 o 47.441  2.0797  309.646   26.288    302.928   37.323    316.260   37.031    46.909  2.9861  47.973  2.8955  -1.063385      4.159388 
1 1 1 -12 21  19 o 12.511  2.7599  19.795    11.257    34.780    16.247    5.9584    15.612    15.462  3.9182  9.5605  3.8880  5.901720       5.519844 
1 1 1 -12 21  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 21  21 o 16.215  2.9382  38.953    13.058    49.318    18.624    28.931    18.313    18.328  3.9128  14.102  4.3842  4.226196       5.876316 
1 1 1 -12 21  22 o 31.107  2.2854  137.409   18.619    120.555   26.351    154.212   26.310    29.062  3.4527  33.152  2.9954  -4.089079      4.570897 
1 1 1 -12 21  23 o 33.357  2.2419  157.518   19.790    158.516   28.029    156.525   27.945    33.467  3.1644  33.247  3.1768  0.2195587      4.483878 
1 1 1 -12 21  24 o 32.249  2.3708  150.023   19.615    187.190   27.995    114.181   27.492    36.504  2.8867  27.994  3.7616  8.510496       4.741632 
1 1 1 -12 21  25 o 18.197  2.8560  50.760    13.823    33.094    19.639    68.107    19.461    14.766  4.5318  21.629  3.4769  -6.863214      5.711927 
1 1 1 -12 21  26 o 7.9374  2.4751  -7.4315   10.982    6.9187    15.812    -20.8027  15.264    9.5410  3.9002  6.3337  3.0486  3.207356       4.950249 
1 1 1 -12 21  27 o 32.105  2.4605  151.122   20.595    128.633   28.859    174.459   29.399    29.434  3.7454  34.775  3.1918  -5.341324      4.920954 
1 1 1 -12 21  28 o 32.868  3.4650  160.064   30.045    160.064   30.045    0.0000    0.0000    32.868  3.4650  ?       ?       ?              ?        
1 1 1 -12 22  1  o 58.488  1.9881  460.764   31.135    471.781   43.893    449.606   44.172    59.197  2.7682  57.780  2.8542  1.417503       3.976108 
1 1 1 -12 22  2  o 53.836  1.9556  390.977   28.126    373.401   39.654    408.771   39.900    52.573  2.8264  55.098  2.7036  -2.525406      3.911291 
1 1 1 -12 22  3  o 65.725  2.0633  582.672   36.308    599.998   51.270    565.241   51.425    66.712  2.8693  64.737  2.9657  1.975731       4.126524 
1 1 1 -12 22  4  o 101.640 2.4867  1398.67   67.697    1388.45   95.614    1408.93   95.862    101.265 3.5251  102.014 3.5083  -0.7491379     4.973363 
1 1 1 -12 22  5  o 32.620  1.9691  144.621   17.037    146.020   23.995    143.198   24.195    32.785  2.7582  32.456  2.8110  0.3294258      3.938148 
1 1 1 -12 22  6  f 31.258  2.0119  133.149   16.637    125.723   23.519    140.588   23.538    30.363  2.9282  32.153  2.7599  -1.790211      4.023834 
1 1 1 -12 22  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 22  8  o 14.804  2.5844  31.115    10.287    24.786    14.620    37.320    14.476    13.335  3.8675  16.274  3.4292  -2.938771      5.168848 
1 1 1 -12 22  9  o 25.651  2.1613  90.702    14.487    81.796    20.491    99.600    20.483    24.335  3.2230  26.967  2.8803  -2.632092      4.322539 
1 1 1 -12 22  10 f 67.551  2.1697  619.789   39.252    612.464   55.719    627.006   55.305    67.145  3.0981  67.956  3.0384  -0.8108444     4.339381 
1 1 1 -12 22  11 o 21.071  2.3926  61.961    13.021    67.523    18.649    56.671    18.188    22.043  3.2566  20.099  3.5060  1.944159       4.785157 
1 1 1 -12 22  12 o 53.060  2.0618  383.663   29.189    387.464   41.437    379.918   41.125    53.322  2.9123  52.797  2.9194  0.5254707      4.123647 
1 1 1 -12 22  13 o 13.050  2.7417  23.745    10.419    18.738    14.877    28.564    14.596    11.934  3.9748  14.166  3.7775  -2.232165      5.483469 
1 1 1 -12 22  14 o 27.045  2.2492  101.793   15.701    123.031   22.511    81.672    21.911    29.930  2.8421  24.161  3.4867  5.769167       4.498325 
1 1 1 -12 22  15 o 32.079  2.1675  142.446   18.236    163.596   25.998    121.961   25.586    34.518  2.8371  29.641  3.2776  4.876993       4.334960 
1 1 1 -12 22  16 o 24.559  2.4053  85.624    14.991    107.049   21.347    64.778    21.057    27.823  2.9075  21.294  3.8327  6.528646       4.810698 
1 1 1 -12 22  17 o 18.098  2.7878  48.098    13.215    36.048    18.882    59.667    18.501    15.715  4.3418  20.481  3.4981  -4.766044      5.575686 
1 1 1 -12 22  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 22  19 o 17.328  2.8807  44.351    13.143    43.025    18.901    45.592    18.290    17.045  4.1733  17.611  3.9720  -0.5660934     5.761352 
1 1 1 -12 22  20 o 12.423  2.7692  18.900    11.533    36.684    16.903    3.4068    15.777    15.721  4.0033  9.1239  3.8273  6.597208       5.538447 
1 1 1 -12 22  21 o 11.587  2.6776  12.665    11.604    35.609    16.871    -7.9354   15.987    15.435  4.0354  7.7389  3.5203  7.696471       5.355104 
1 1 1 -12 22  22 o 15.053  2.9988  34.174    12.601    33.730    18.277    34.576    17.397    14.954  4.3204  15.152  4.1600  -0.1983852     5.997571 
1 1 1 -12 22  23 o 10.631  2.4065  4.1828    11.076    -28.1813  15.913    34.595    15.426    6.0484  2.9572  15.214  3.7974  -9.165842      4.813042 
1 1 1 -12 22  24 o 35.479  2.3395  180.326   21.971    185.039   31.250    175.719   30.897    35.960  3.2806  34.998  3.3364  0.9616089      4.679058 
1 1 1 -12 22  25 o 16.162  3.1254  40.738    13.932    38.727    20.051    42.616    19.372    15.749  4.5181  16.576  4.3196  -0.8272276     6.250768 
1 1 1 -12 22  26 o 24.370  3.8804  89.719    24.480    0.0000    0.0000    89.719    24.480    ?       ?       24.370  3.8804  ?              ?        
1 1 1 -12 23  1  o 128.196 2.8535  2234.84   97.975    2237.92   137.932   2231.70   139.191   128.296 4.0139  128.097 4.0568  0.1989594      5.706908 
1 1 1 -12 23  2  o 40.967  1.9779  228.643   21.408    259.527   30.267    197.725   30.284    43.797  2.5916  38.137  2.9886  5.659523       3.955787 
1 1 1 -12 23  3  o 59.216  2.0088  474.366   31.778    448.733   44.660    500.655   45.229    57.547  2.9068  60.885  2.7734  -3.338444      4.017622 
1 1 1 -12 23  4  o 30.973  2.8978  130.856   23.761    0.0000    0.0000    130.856   23.761    ?       ?       30.973  2.8978  ?              ?        
1 1 1 -12 23  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 23  6  o 28.480  2.1041  111.524   15.724    100.217   22.379    122.551   22.099    26.995  3.1545  29.965  2.7853  -2.970625      4.208172 
1 1 1 -12 23  7  o 12.550  2.7099  21.515    9.9556    19.197    13.679    24.126    14.517    11.942  3.7997  13.158  3.8647  -1.215951      5.419729 
1 1 1 -12 23  8  o 49.184  2.0366  329.343   26.699    317.988   37.769    340.683   37.746    48.319  2.9322  50.048  2.8273  -1.729206      4.073237 
1 1 1 -12 23  9  o 82.930  2.3261  937.759   51.653    911.378   73.043    964.147   73.053    81.742  3.3361  84.118  3.2424  -2.375412      4.652165 
1 1 1 -12 23  10 o 34.442  2.0682  162.467   18.875    153.111   26.607    171.945   26.780    33.416  3.0048  35.468  2.8428  -2.052032      4.136456 
1 1 1 -12 23  11 o 21.093  2.5444  63.147    13.586    84.195    19.682    43.988    18.777    24.678  3.0420  17.509  4.0795  7.168974       5.088824 
1 1 1 -12 23  12 o 4.8154  1.6573  -18.1617  6.9509    -12.2301  9.4599    -25.1219  10.247    5.1757  2.4667  4.4551  2.2139  0.7205830      3.314502 
1 1 1 -12 23  13 o 24.648  2.3490  84.852    15.108    87.448    21.412    82.278    21.319    25.045  3.2698  24.251  3.3734  0.7941341      4.698076 
1 1 1 -12 23  14 o 30.761  2.1978  131.311   17.793    143.707   25.281    119.144   25.047    32.263  2.9585  29.259  3.2510  3.003773       4.395658 
1 1 1 -12 23  15 o 20.039  2.7047  57.690    13.981    62.631    20.049    53.014    19.505    20.929  3.7125  19.149  3.9344  1.779537       5.409444 
1 1 1 -12 23  16 o 18.135  2.9079  48.463    13.821    42.526    20.005    53.886    19.118    16.976  4.3728  19.295  3.8342  -2.319317      5.815741 
1 1 1 -12 23  17 o 14.118  4.3359  28.891    17.974    28.891    17.974    0.0000    0.0000    14.118  4.3359  ?       ?       ?              ?        
1 1 1 -12 23  18 o 26.404  2.5372  100.394   16.805    134.327   24.486    70.177    23.107    30.966  2.9893  21.841  4.1004  9.125429       5.074379 
1 1 1 -12 23  19 o 8.9781  2.5374  0.5539    10.457    -14.7337  14.579    16.757    15.009    6.6663  3.1428  11.290  3.9844  -4.623583      5.074759 
1 1 1 -12 23  20 o 8.9959  2.5930  3.5226    10.354    12.559    14.651    -5.4943   14.635    10.378  3.8940  7.6141  3.4250  2.763735       5.185915 
1 1 1 -12 23  21 o 11.184  2.7390  12.116    11.663    30.927    16.661    -5.9621   16.333    14.350  4.1189  8.0185  3.6115  6.331662       5.477950 
1 1 1 -12 23  22 o 22.035  2.8163  72.318    16.009    73.500    22.818    71.172    22.466    22.218  3.9805  21.853  3.9851  0.3651714      5.632545 
1 1 1 -12 23  23 o 21.515  3.0106  71.007    16.705    57.367    23.649    84.588    23.599    19.145  4.6565  23.884  3.8174  -4.738588      6.021288 
1 1 1 -12 23  24 o 12.327  2.8241  17.333    12.916    -6.0505   18.216    40.971    18.316    8.3996  3.7957  16.254  4.1827  -7.853956      5.648221 
1 1 1 -12 23  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 24  1  o 34.228  2.3959  166.891   20.444    138.051   32.965    184.915   26.061    31.555  3.9893  36.901  2.6544  -5.346020      4.791728 
1 1 1 -12 24  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 24  3  o 85.007  2.3009  982.235   52.387    972.603   73.619    992.115   74.563    84.587  3.2493  85.427  3.2586  -0.8406601     4.601852 
1 1 1 -12 24  4  o 37.487  2.0027  191.572   19.951    186.176   28.282    196.916   28.148    36.947  2.8806  38.026  2.7829  -1.078926      4.005300 
1 1 1 -12 24  5  o 80.744  2.2654  887.268   48.992    874.571   69.097    900.104   69.475    80.157  3.2183  81.331  3.1892  -1.173424      4.530840 
1 1 1 -12 24  6  o 64.061  2.1106  557.725   36.208    544.129   51.070    571.467   51.343    63.267  3.0137  64.855  2.9556  -1.588192      4.221134 
1 1 1 -12 24  7  o 50.351  2.0389  345.535   27.382    342.594   38.580    348.521   38.870    50.133  2.8852  50.568  2.8817  -0.4342918     4.077842 
1 1 1 -12 24  8  o 67.654  2.1745  623.827   39.404    623.121   55.594    624.540   55.858    67.618  3.0696  67.690  3.0809  -0.7262421E-01 4.349015 
1 1 1 -12 24  9  o 60.297  2.1343  496.457   34.414    494.351   48.698    498.558   48.639    60.128  3.0335  60.466  3.0032  -0.3382721     4.268614 
1 1 1 -12 24  10 o 43.673  2.0690  261.376   24.044    273.980   34.150    248.985   33.860    44.742  2.8646  42.604  2.9861  2.137962       4.137919 
1 1 1 -12 24  11 o 9.6902  2.6234  8.8545    9.5900    5.6181    13.309    12.349    13.830    8.9913  3.6133  10.389  3.8043  -1.397773      5.246821 
1 1 1 -12 24  12 o 48.476  2.1233  323.424   27.430    329.928   38.912    316.999   38.674    48.972  2.9807  47.980  3.0248  0.9912376      4.246652 
1 1 1 -12 24  13 o 18.828  2.7730  51.254    13.535    57.446    19.409    45.392    18.884    20.004  3.7605  17.652  4.0764  2.351936       5.546036 
1 1 1 -12 24  14 o 23.624  2.5736  80.637    15.337    103.210   21.861    58.759    21.521    27.189  3.0547  20.060  4.1426  7.129044       5.147113 
1 1 1 -12 24  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 24  16 o 16.429  2.6882  39.630    13.069    11.077    18.347    69.038    18.620    10.836  4.2792  22.021  3.2550  -11.18420      5.376464 
1 1 1 -12 24  17 o 22.531  2.6730  73.998    15.556    76.532    22.089    71.505    21.910    22.948  3.7210  22.113  3.8385  0.8355026      5.346054 
1 1 1 -12 24  18 f 30.331  2.4211  131.974   18.971    160.430   27.343    105.562   26.343    33.715  3.0612  26.946  3.7518  6.769360       4.842199 
1 1 1 -12 24  19 o 13.826  3.0388  27.797    12.994    16.885    18.383    38.693    18.370    11.681  4.3660  15.971  4.2279  -4.290707      6.077630 
1 1 1 -12 24  20 o 15.619  3.1364  37.356    13.791    33.409    19.639    41.197    19.371    14.826  4.5287  16.411  4.3403  -1.584858      6.272719 
1 1 1 -12 24  21 o 11.321  2.9954  15.133    12.574    7.6769    17.850    22.478    17.716    10.075  4.1341  12.567  4.3357  -2.492177      5.990705 
1 1 1 -12 24  22 f 10.841  2.9322  11.927    12.620    0.2757    18.087    22.979    17.616    9.0943  3.9610  12.588  4.3245  -3.494052      5.864345 
1 1 1 -12 24  23 o 18.475  3.0889  54.016    15.133    62.181    21.284    45.670    21.520    20.078  4.0966  16.873  4.6243  3.204554       6.177885 
1 1 1 -12 25  1  o 27.916  2.0908  106.956   15.393    109.191   21.825    104.744   21.714    28.215  2.9307  27.617  2.9829  0.5983429      4.181654 
1 1 1 -12 25  2  o 29.492  2.1177  120.117   16.349    134.646   22.899    105.010   23.349    31.396  2.7508  27.589  3.2204  3.807459       4.235332 
1 1 1 -12 25  3  o 38.706  1.9671  204.340   20.254    206.656   28.504    201.978   28.783    38.936  2.7509  38.476  2.8125  0.4605255      3.934130 
1 1 1 -12 25  4  o 16.312  2.6044  37.935    11.142    32.446    15.685    43.525    15.830    15.081  3.8653  17.544  3.4917  -2.462995      5.208858 
1 1 1 -12 25  5  o 41.748  2.0488  238.390   22.736    252.321   32.170    224.487   32.137    42.998  2.8087  40.498  2.9837  2.500694       4.097664 
1 1 1 -12 25  6  o 39.943  2.0493  218.518   21.717    199.744   30.520    237.773   30.908    38.162  3.0103  41.725  2.7815  -3.562805      4.098613 
1 1 1 -12 25  7  o 69.476  2.1847  659.686   40.654    655.445   57.264    663.996   57.726    69.252  3.0872  69.700  3.0921  -0.4480286     4.369370 
1 1 1 -12 25  8  o 36.582  2.0941  184.004   20.340    187.885   28.803    180.144   28.727    36.979  2.9320  36.186  2.9907  0.7931099      4.188211 
1 1 1 -12 25  9  o 38.670  2.1295  206.445   21.810    189.114   30.916    223.617   30.773    36.991  3.1503  40.349  2.8661  -3.357479      4.258924 
1 1 1 -12 25  10 o 17.842  2.7456  45.991    12.748    45.387    18.066    46.591    17.989    17.715  3.9120  17.969  3.8534  -0.2533531     5.491101 
1 1 1 -12 25  11 o 54.130  2.1831  405.153   31.490    426.608   44.722    384.056   44.348    55.595  3.0146  52.665  3.1584  2.929802       4.366174 
1 1 1 -12 25  12 o 30.736  2.3176  132.650   18.719    121.573   26.477    143.721   26.470    29.374  3.4297  32.098  3.1182  -2.723591      4.635295 
1 1 1 -12 25  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 25  14 o 20.789  2.7599  63.943    14.693    48.067    20.754    79.899    20.806    17.914  4.3653  23.664  3.3784  -5.750521      5.519897 
1 1 1 -12 25  15 f 30.646  2.3735  133.343   19.084    148.913   27.614    119.108   26.404    32.442  3.2204  28.851  3.4876  3.591312       4.746994 
1 1 1 -12 25  16 o 10.134  2.8426  9.3436    11.541    12.339    16.524    6.4914    16.126    10.649  4.1023  9.6185  3.9360  1.030614       5.685136 
1 1 1 -12 25  17 o 44.370  2.2552  279.064   26.615    275.529   37.916    282.498   37.370    44.057  3.2357  44.684  3.1423  -0.6273499     4.510435 
1 1 1 -12 25  18 o 8.8050  2.6494  1.1342    11.177    -5.2984   15.856    7.4868    15.757    7.9519  3.5720  9.6582  3.9139  -1.706360      5.298880 
1 1 1 -12 25  19 o 12.848  3.0177  22.493    12.950    35.547    18.429    9.7577    18.202    15.241  4.3177  10.454  4.2170  4.786975       6.035371 
1 1 1 -12 25  20 o 14.437  3.0587  29.364    14.243    51.438    20.718    9.5808    19.614    18.249  4.3078  10.625  4.3435  7.624084       6.117426 
1 1 1 -12 25  21 o 11.197  2.9526  13.278    12.940    -1.1593   18.345    27.573    18.255    8.9425  3.9392  13.451  4.3993  -4.508049      5.905151 
1 1 1 -12 25  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 26  1  o 8.6143  2.4640  4.5846    8.8202    6.2194    11.841    2.5472    13.220    8.7548  3.4439  8.4737  3.5248  0.2811747      4.928004 
1 1 1 -12 26  2  o 49.712  2.0462  338.492   27.015    371.341   38.114    305.329   38.296    52.202  2.7355  47.222  3.0440  4.979523       4.092479 
1 1 1 -12 26  3  o 38.807  2.0223  206.165   20.872    204.631   29.426    207.719   29.609    38.660  2.8621  38.953  2.8578  -0.2935905     4.044611 
1 1 1 -12 26  4  o 32.489  2.0805  145.253   17.878    135.952   25.205    154.671   25.364    31.407  3.0340  33.572  2.8475  -2.164125      4.160914 
1 1 1 -12 26  5  o 38.448  2.0651  203.066   21.100    196.865   29.825    209.278   29.854    37.843  2.9662  39.054  2.8742  -1.211563      4.130285 
1 1 1 -12 26  6  o 46.133  2.0861  292.397   25.639    294.144   36.070    290.614   36.450    46.283  2.9247  45.983  2.9754  0.2992325      4.172150 
1 1 1 -12 26  7  o 34.808  2.1835  167.858   20.116    176.356   28.322    159.207   28.575    35.741  2.9858  33.876  3.1868  1.865086       4.366990 
1 1 1 -12 26  8  o 31.925  2.2049  141.708   18.590    149.368   26.342    134.107   26.239    32.824  3.0304  31.026  3.2035  1.798195       4.409719 
1 1 1 -12 26  9  f 53.132  2.1895  391.834   30.846    344.000   43.365    440.821   43.885    49.729  3.2740  56.535  2.9079  -6.805553      4.378946 
1 1 1 -12 26  10 o 30.451  2.3227  130.245   18.630    129.890   26.829    130.576   25.889    30.381  3.3528  30.520  3.2153  -0.1392536     4.645374 
1 1 1 -12 26  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 26  12 o 19.128  2.8364  54.355    14.146    70.781    20.290    38.820    19.732    22.171  3.5355  16.084  4.4363  6.086668       5.672791 
1 1 1 -12 26  13 o 9.4564  2.7183  6.4283    10.824    8.5105    15.131    4.2460    15.490    9.7577  3.8757  9.1550  3.8125  0.6027412      5.436563 
1 1 1 -12 26  14 o 12.497  2.9661  21.539    12.134    12.997    17.378    29.667    16.951    10.894  4.2041  14.100  4.1853  -3.206505      5.932204 
1 1 1 -12 26  15 o 8.9274  2.6532  2.8721    10.913    -2.1907   15.721    7.5805    15.161    8.2925  3.6500  9.5623  3.8517  -1.269803      5.306395 
1 1 1 -12 26  16 o 12.042  2.9183  17.099    12.648    1.0147    17.713    33.833    18.067    9.1663  3.9559  14.917  4.2914  -5.750679      5.836519 
1 1 1 -12 26  17 o 21.993  2.9381  73.457    16.582    57.489    23.336    89.742    23.567    19.247  4.5911  24.739  3.6678  -5.492178      5.876278 
1 1 1 -12 26  18 o 12.863  3.1580  23.282    13.515    16.597    18.757    30.500    19.489    11.575  4.3919  14.151  4.5390  -2.576407      6.315952 
1 1 1 -12 26  19 o 29.044  2.6808  125.673   20.197    141.849   28.779    109.973   28.352    31.106  3.5159  26.982  4.0479  4.123487       5.361604 
1 1 1 -12 26  20 o 20.127  4.2050  55.675    19.808    109.111   47.235    44.272    21.820    23.746  6.9701  16.507  4.7058  7.238766       8.409927 
1 1 1 -12 27  1  f 43.378  2.0164  257.981   23.255    239.389   32.705    276.993   33.072    41.758  2.9429  44.998  2.7573  -3.239555      4.032818 
1 1 1 -12 27  2  o 51.355  2.0533  361.516   28.123    351.875   39.394    371.534   40.159    50.649  2.9161  52.060  2.8914  -1.410149      4.106594 
1 1 1 -12 27  3  o 26.913  2.3252  102.043   16.172    117.172   22.590    86.138    23.162    29.114  2.9370  24.712  3.6055  4.402021       4.650347 
1 1 1 -12 27  4  o 13.999  2.7493  27.616    11.012    18.282    15.204    37.919    15.972    11.794  4.0182  16.205  3.7537  -4.410906      5.498684 
1 1 1 -12 27  5  o 14.099  2.8513  28.416    11.588    36.639    16.439    20.293    16.339    15.880  3.8945  12.318  4.1656  3.562631       5.702553 
1 1 1 -12 27  6  o 14.448  2.9290  30.277    11.958    27.368    16.935    33.171    16.888    13.818  4.2020  15.078  4.0817  -1.259993      5.858068 
1 1 1 -12 27  7  o 14.854  3.0444  32.290    12.834    34.329    17.893    30.129    18.419    15.290  4.2275  14.417  4.3819  0.8723221      6.088737 
1 1 1 -12 27  8  o 35.042  2.2133  171.929   20.473    155.019   28.770    189.279   29.141    33.212  3.2768  36.872  2.9760  -3.660694      4.426511 
1 1 1 -12 27  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 27  10 o 20.618  2.8002  62.785    14.883    68.211    20.871    57.172    21.228    21.644  3.7350  19.591  4.1731  2.053219       5.600460 
1 1 1 -12 27  11 f 8.5025  2.5407  -1.7164   10.776    10.608    14.994    -14.8818  15.497    10.085  3.9013  6.9203  3.2559  3.164297       5.081429 
1 1 1 -12 27  12 o 23.679  2.6798  82.296    16.407    78.960    23.334    85.559    23.073    23.134  3.9048  24.224  3.6713  -1.089947      5.359600 
1 1 1 -12 27  13 o 6.8834  2.2355  -8.4119   9.3875    -10.3211  12.828    -6.2103   13.775    6.5097  3.0296  7.2570  3.2881  -0.7473617     4.471017 
1 1 1 -12 27  14 o 8.8526  2.6751  0.8250    11.454    7.2227    16.271    -5.4602   16.127    9.7083  3.9610  7.9969  3.5964  1.711408       5.350147 
1 1 1 -12 27  15 o 11.190  2.9270  13.540    12.352    2.1766    17.165    25.743    17.787    9.1693  3.9246  13.210  4.3437  -4.040903      5.854090 
1 1 1 -12 27  16 o 9.0637  2.7477  1.9421    11.962    4.2975    16.934    -0.4040   16.900    9.3756  3.9506  8.7518  3.8198  0.6237364      5.495312 
1 1 1 -12 27  17 o 18.599  3.2353  54.698    16.010    57.016    22.822    52.450    22.466    19.013  4.5434  18.185  4.6071  0.8277569      6.470528 
1 1 1 -12 27  18 o 23.816  2.9180  87.884    17.754    105.163   25.202    70.859    25.016    26.537  3.6416  21.094  4.5604  5.442476       5.836002 
1 1 1 -12 28  1  o 42.210  2.0378  245.590   22.887    234.970   32.184    256.456   32.554    41.262  2.9311  43.158  2.8319  -1.895382      4.075681 
1 1 1 -12 28  2  f 29.952  2.2669  125.674   17.484    96.440    24.160    157.820   25.334    26.110  3.5464  33.794  2.8247  -7.684246      4.533850 
1 1 1 -12 28  3  o 10.214  2.7655  10.716    10.554    10.662    14.365    10.779    15.556    10.089  3.8398  10.339  3.9810  -0.2501497     5.531048 
1 1 1 -12 28  4  o 9.8564  2.6266  6.8224    10.166    -3.6371   13.598    20.074    15.306    7.6018  3.3678  12.111  4.0315  -4.509126      5.253144 
1 1 1 -12 28  5  o 18.392  2.8656  49.607    13.727    45.557    18.824    54.206    20.060    17.570  4.0784  19.215  4.0265  -1.645231      5.731167 
1 1 1 -12 28  6  o 11.381  4.1500  16.032    16.433    0.0000    0.0000    16.032    16.433    ?       ?       11.381  4.1500  ?              ?        
1 1 1 -12 28  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 28  8  o 25.485  2.6018  95.127    16.838    116.892   23.868    73.561    23.758    28.715  3.1553  22.255  4.1379  6.459854       5.203643 
1 1 1 -12 28  9  o 20.138  2.7978  60.154    14.538    51.239    20.093    69.948    21.060    18.437  4.1668  21.838  3.7346  -3.400908      5.595509 
1 1 1 -12 28  10 o 17.766  3.0110  48.025    14.133    47.566    19.557    48.527    20.448    17.705  4.1893  17.827  4.3261  -0.1227551     6.022100 
1 1 1 -12 28  11 o 40.953  2.2605  238.732   24.586    228.991   34.483    248.804   35.064    40.065  3.2410  41.840  3.1520  -1.774246      4.520953 
1 1 1 -12 28  12 o 16.985  2.9621  44.725    14.416    21.897    20.562    66.797    20.218    12.701  4.6405  21.269  3.6825  -8.567819      5.924104 
1 1 1 -12 28  13 o 9.5549  2.8113  5.1027    12.064    10.002    16.600    -0.3818   17.564    10.183  4.0548  8.9268  3.8952  1.256297       5.622609 
1 1 1 -12 28  14 o 15.856  3.2909  39.517    14.986    34.542    21.348    44.351    21.041    14.907  4.7473  16.805  4.5589  -1.898231      6.581797 
1 1 1 -12 28  15 o 10.287  2.8860  8.2129    12.624    -3.9910   17.892    20.311    17.814    8.5292  3.8154  12.045  4.3312  -3.516232      5.772089 
1 1 1 -12 28  16 o 14.169  3.2567  31.470    14.326    25.486    20.241    37.475    20.278    13.047  4.6248  15.290  4.5866  -2.242750      6.513492 
1 1 1 -12 28  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 29  1  o 37.479  2.1521  196.088   21.403    202.277   30.119    189.775   30.421    38.114  2.9738  36.844  3.1117  1.269955       4.304213 
1 1 1 -12 29  2  o 41.400  2.1244  239.078   23.395    235.366   32.965    242.845   33.207    41.068  3.0180  41.733  2.9906  -0.6654549     4.248707 
1 1 1 -12 29  3  o 28.048  2.3754  112.058   17.408    122.358   24.579    101.692   24.657    29.448  3.1660  26.648  3.5423  2.799641       4.750898 
1 1 1 -12 29  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 29  5  o 17.472  2.8738  45.814    13.735    26.382    19.067    66.772    19.801    13.515  4.4998  21.430  3.5758  -7.914256      5.747513 
1 1 1 -12 29  6  o 27.057  2.4353  105.472   17.230    100.292   24.293    110.715   24.441    26.332  3.5335  27.783  3.3521  -1.450994      4.870529 
1 1 1 -12 29  7  o 24.401  2.6240  87.459    16.380    70.715    22.819    105.255   23.525    21.738  4.0686  27.063  3.3147  -5.324619      5.247947 
1 1 1 -12 29  8  o 16.735  3.0865  43.628    14.298    53.810    19.670    32.221    20.820    18.899  4.0100  14.571  4.6932  4.327696       6.173000 
1 1 1 -12 29  9  o 23.557  2.8416  83.330    16.982    60.671    23.460    108.272   24.614    19.792  4.5240  27.322  3.4396  -7.530123      5.683120 
1 1 1 -12 29  10 o 44.905  2.2841  288.541   27.265    294.385   38.070    282.388   39.065    45.446  3.1469  44.364  3.3114  1.081940       4.568150 
1 1 1 -12 29  11 o 19.849  2.9326  60.288    15.091    66.586    21.167    53.778    21.522    21.068  3.8944  18.630  4.3857  2.438046       5.865242 
1 1 1 -12 29  12 o 15.504  3.1910  37.126    14.857    21.833    20.936    52.639    21.086    12.619  4.6706  18.390  4.3491  -5.771147      6.381948 
1 1 1 -12 29  13 o 22.034  3.0360  75.575    17.220    97.822    24.863    55.063    23.874    25.590  3.7376  18.478  4.7855  7.111671       6.072088 
1 1 1 -12 29  14 o 6.9924  2.3092  -16.1598  11.124    -29.7388  15.615    -2.1675   15.851    5.7998  2.8546  8.1849  3.6306  -2.385077      4.618441 
1 1 1 -12 29  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 30  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 30  2  o 40.544  2.1840  232.441   23.513    239.824   32.936    224.768   33.578    41.263  3.0006  39.825  3.1742  1.438087       4.367968 
1 1 1 -12 30  3  o 13.184  2.6004  19.354    11.992    -5.7979   16.152    50.243    17.900    7.9775  3.5924  18.390  3.7608  -10.41284      5.200826 
1 1 1 -12 30  4  o 14.924  2.5312  26.961    12.791    -5.4269   17.112    67.972    19.256    8.2550  3.7093  21.593  3.4451  -13.33819      5.062375 
1 1 1 -12 30  5  o 19.986  2.9594  61.608    15.408    78.591    21.719    44.401    21.862    23.127  3.6254  16.845  4.6785  6.281561       5.918785 
1 1 1 -12 30  6  o 25.507  2.6558  96.122    17.534    86.821    24.592    105.740   25.008    24.115  3.9437  26.900  3.5582  -2.784727      5.311638 
1 1 1 -12 30  7  o 19.014  3.0307  55.551    15.088    49.180    20.950    62.417    21.747    17.787  4.4173  20.241  4.1506  -2.453629      6.061346 
1 1 1 -12 30  8  o 24.910  2.7285  92.453    17.589    86.453    24.724    98.603    25.029    23.997  3.9865  25.823  3.7264  -1.826834      5.456948 
1 1 1 -12 30  9  o 22.489  2.9032  76.904    16.837    79.534    23.706    74.226    23.918    22.951  4.0018  22.028  4.2071  0.9226303      5.806391 
1 1 1 -12 30  10 o 26.369  2.8543  105.400   19.452    113.850   27.440    96.864    27.580    27.608  3.8125  25.131  4.2488  2.476789       5.708506 
1 1 1 -12 30  11 o 9.9028  2.7028  3.1058    12.212    -19.7901  17.480    24.937    17.069    6.9736  3.3316  12.832  4.2567  -5.858444      5.405527 
1 1 1 -12 30  12 o 11.779  3.0568  17.574    13.659    30.665    18.882    3.2052    19.782    13.908  4.4685  9.6493  4.1725  4.258419       6.113656 
1 1 1 -12 30  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -12 31  1  o 37.201  2.2549  198.115   22.238    201.510   31.154    194.589   31.754    37.575  3.1238  36.826  3.2526  0.7490921      4.509718 
1 1 1 -12 31  2  o 16.655  3.0981  43.078    13.992    42.752    19.286    43.441    20.329    16.621  4.2996  16.690  4.4617  -0.6854439E-01 6.196273 
1 1 1 -12 31  3  o 11.161  2.9132  15.426    11.562    10.716    15.540    21.266    17.304    10.083  3.9519  12.239  4.2814  -2.156441      5.826460 
1 1 1 -12 31  4  o 14.143  3.1940  30.343    13.656    26.264    18.487    35.241    20.258    13.259  4.4313  15.027  4.6011  -1.767135      6.388005 
1 1 1 -12 31  5  o 27.773  2.5735  113.808   18.654    117.882   26.118    109.566   26.652    28.371  3.5120  27.174  3.7627  1.196924       5.147061 
1 1 1 -12 31  6  o 14.322  3.2437  31.776    14.078    32.517    19.370    30.946    20.497    14.470  4.5106  14.174  4.6628  0.2956667      6.487493 
1 1 1 -12 31  7  o 7.4567  2.3981  -10.8319  10.907    -22.3615  14.969    2.2191    15.926    6.1028  2.9574  8.8106  3.7760  -2.707733      4.796290 
1 1 1 -12 31  8  o 25.581  2.8639  100.628   18.665    119.967   26.354    81.163    26.440    28.474  3.5313  22.688  4.5097  5.785925       5.727804 
1 1 1 -12 31  9  o 25.725  2.8677  102.513   18.885    116.337   26.338    87.885    27.093    27.886  3.6110  23.564  4.4559  4.322458       5.735310 
1 1 1 -12 31  10 o 13.314  3.3167  26.905    14.835    19.783    20.021    35.576    22.092    11.930  4.5349  14.698  4.8412  -2.767692      6.633425 
1 1 1 -12 32  1  o 26.424  2.7497  106.958   18.159    134.895   25.376    77.635    25.998    30.576  3.1433  22.272  4.5125  8.303308       5.499404 
1 1 1 -12 32  2  f 33.061  2.4416  159.424   21.236    144.473   29.301    175.966   30.820    31.339  3.5534  34.783  3.3495  -3.443039      4.883236 
1 1 1 -12 32  3  o 9.0444  2.7229  3.1905    11.600    6.4798    15.181    -1.4250   17.982    9.2658  3.8084  8.8231  3.8926  0.4427586      5.445800 
1 1 1 -12 32  4  o 14.490  3.2685  32.804    14.293    29.069    19.376    37.264    21.170    13.715  4.5346  15.264  4.7086  -1.549380      6.537083 
1 1 1 -12 32  5  o 24.336  2.8625  90.684    17.990    86.029    24.936    95.736    25.979    23.647  4.0846  25.025  4.0113  -1.377333      5.724947 
1 1 1 -12 32  6  o 8.0647  2.6058  -7.4403   12.457    -8.7501   16.621    -5.7612   18.818    7.6522  3.5214  8.4772  3.8418  -0.8249555     5.211548 
1 1 1 -12 32  7  o 14.089  3.3789  31.954    15.191    29.041    20.792    35.290    22.249    13.536  4.6955  14.643  4.8601  -1.107345      6.757796 
1 1 1 -12 32  8  o 19.220  3.1930  63.362    17.303    91.417    24.035    33.180    24.929    24.299  3.8188  14.141  5.1183  10.15763       6.385976 
1 1 1 -12 33  1  o 21.435  3.0888  73.407    17.117    87.346    23.858    58.624    24.571    23.972  3.8458  18.899  4.8345  5.072849       6.177607 
1 1 1 -12 33  2  o 15.423  3.2054  39.013    14.416    45.817    19.290    30.408    21.694    16.970  4.2525  13.877  4.7972  3.092958       6.410725 
1 1 1 -12 33  3  o 17.774  3.3165  52.001    16.024    48.255    22.161    56.106    23.197    17.088  4.6965  18.459  4.6841  -1.370703      6.633094 
1 1 1 -12 33  4  o 20.256  3.1344  66.889    16.559    74.478    23.081    58.842    23.769    21.725  4.1172  18.788  4.7272  2.937195       6.268859 
1 1 1 -12 33  5  o 15.156  3.3498  39.176    15.380    45.611    20.837    31.475    22.796    16.503  4.5617  13.809  4.9065  2.694042       6.699509 
1 1 1 -12 34  1  o 12.063  3.1904  20.479    13.873    14.184    18.225    29.150    21.392    10.733  4.2565  13.394  4.7537  -2.661470      6.380874 
1 1 1 -12 34  2  o 23.796  3.0071  92.025    18.398    98.149    25.509    85.386    26.560    24.914  3.9547  22.678  4.5310  2.236408       6.014118 
1 1 1 -11 -32 8  o 10.606  2.9904  11.017    13.025    0.0112    22.002    16.955    16.161    9.8971  4.3380  11.315  4.1172  -1.418032      5.980746 
1 1 1 -11 -32 9  o 12.111  3.1874  19.234    13.678    16.363    22.215    20.986    17.358    11.995  4.7176  12.226  4.2875  -0.2309380     6.374837 
1 1 1 -11 -32 10 o 25.768  2.8099  98.367    18.723    104.559   27.712    93.167    25.396    26.485  4.0338  25.051  3.9129  1.434429       5.619792 
1 1 1 -11 -32 11 o 16.490  3.4741  42.499    16.391    43.717    24.963    41.575    21.732    16.641  5.1096  16.338  4.7084  0.3026180      6.948194 
1 1 1 -11 -32 12 o 6.8335  3.2854  -23.2902  17.604    -23.2902  17.604    0.0000    0.0000    6.8335  3.2854  ?       ?       ?              ?        
1 1 1 -11 -32 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -32 22 o 46.328  3.6251  312.138   44.625    312.138   44.625    0.0000    0.0000    46.328  3.6251  ?       ?       ?              ?        
1 1 1 -11 -32 23 o 20.416  3.5830  69.428    21.431    31.865    31.119    103.319   29.559    14.853  5.6519  25.979  4.4053  -11.12529      7.165946 
1 1 1 -11 -32 24 o 14.563  3.7250  30.944    18.674    40.380    28.285    23.653    24.862    15.885  5.4785  13.241  5.0486  2.644732       7.449986 
1 1 1 -11 -32 25 o 40.322  2.6551  240.517   28.299    255.663   40.253    225.714   39.793    41.697  3.6406  38.947  3.8656  2.749825       5.310134 
1 1 1 -11 -32 26 o 11.326  3.3602  8.9249    17.296    17.861    25.734    1.5626    23.358    12.437  5.0152  10.214  4.4735  2.223138       6.720403 
1 1 1 -11 -32 27 o 21.183  3.8545  76.487    21.995    74.818    31.912    77.998    30.357    20.824  5.5998  21.541  5.2982  -0.7164879     7.709004 
1 1 1 -11 -31 4  o 31.794  2.5234  145.862   21.011    165.770   30.922    128.786   28.638    33.891  3.4546  29.697  3.6792  4.194881       5.046876 
1 1 1 -11 -31 5  o 8.3822  3.8014  -7.6235   18.462    -7.6235   18.462    0.0000    0.0000    8.3822  3.8014  ?       ?       ?              ?        
1 1 1 -11 -31 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -31 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -31 8  o 11.901  2.9365  6.3805    13.680    41.093    21.922    -15.7593  17.507    16.385  4.7310  7.4162  3.4800  8.968843       5.873030 
1 1 1 -11 -31 9  o 43.778  2.2992  270.715   26.675    299.613   38.333    243.583   37.144    46.143  3.1199  41.414  3.3780  4.728928       4.598313 
1 1 1 -11 -31 10 o 19.700  3.0566  57.323    15.783    76.753    23.698    41.836    21.157    22.819  4.0245  16.581  4.6015  6.237247       6.113124 
1 1 1 -11 -31 11 o 14.988  3.3396  32.696    14.879    39.824    22.966    27.541    19.532    16.178  4.8875  13.798  4.5524  2.380364       6.679215 
1 1 1 -11 -31 12 o 17.711  3.3224  47.478    15.870    51.130    24.506    44.840    20.826    18.221  4.9103  17.202  4.4768  1.018311       6.644793 
1 1 1 -11 -31 13 o 15.870  3.3552  35.141    16.127    57.030    24.691    18.853    21.298    19.288  4.7987  12.452  4.6906  6.836700       6.710386 
1 1 1 -11 -31 14 f 13.796  3.2350  21.725    15.099    46.971    23.712    4.5068    19.581    17.494  4.8772  10.098  4.2513  7.396115       6.470026 
1 1 1 -11 -31 15 o 36.204  2.4505  186.537   23.354    209.383   33.562    165.091   32.517    38.473  3.2885  33.935  3.6340  4.538799       4.901059 
1 1 1 -11 -31 16 o 23.849  3.1538  84.822    19.375    94.382    28.333    76.425    26.555    25.191  4.3568  22.508  4.5610  2.682449       6.307513 
1 1 1 -11 -31 17 f 65.087  2.3458  597.305   40.777    629.707   57.985    565.603   57.355    66.952  3.2334  63.222  3.3995  3.729630       4.691624 
1 1 1 -11 -31 18 o 37.480  2.6032  202.817   25.447    236.147   36.034    169.661   35.940    40.821  3.3245  34.138  4.0067  6.683163       5.206327 
1 1 1 -11 -31 19 o 9.0426  2.8885  -8.3954   15.075    -20.3362  23.933    -0.5411   19.410    8.6635  4.0664  9.4217  4.1034  -0.7581749     5.776964 
1 1 1 -11 -31 20 o 9.9564  3.0239  1.4000    14.754    -9.4152   23.321    8.6175    19.052    9.3897  4.2638  10.523  4.2890  -1.133374      6.047742 
1 1 1 -11 -31 21 o 35.058  2.6368  177.682   24.365    173.757   34.727    181.488   34.194    34.620  3.8079  35.497  3.6483  -0.8770599     5.273563 
1 1 1 -11 -31 22 o 22.323  3.4956  79.572    20.521    57.909    30.317    97.889    27.878    18.998  5.5863  25.648  4.2037  -6.650442      6.991215 
1 1 1 -11 -31 23 o 47.840  2.4647  327.943   31.208    366.062   44.515    291.101   43.763    50.753  3.2923  44.927  3.6687  5.826168       4.929417 
1 1 1 -11 -31 24 o 19.118  3.4479  55.382    19.016    88.506    28.263    27.986    25.703    24.094  4.5461  14.143  5.1852  9.951158       6.895898 
1 1 1 -11 -31 25 o 34.927  2.9068  181.630   25.756    232.701   37.133    134.275   35.756    40.196  3.4834  29.658  4.6544  10.53822       5.813515 
1 1 1 -11 -31 26 o 22.033  5.2629  78.078    30.633    0.0000    0.0000    78.078    30.633    ?       ?       22.033  5.2629  ?              ?        
1 1 1 -11 -31 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -31 28 o 24.633  5.1752  97.860    33.059    97.860    33.059    0.0000    0.0000    24.633  5.1752  ?       ?       ?              ?        
1 1 1 -11 -31 29 f 13.486  3.6894  24.760    18.988    22.628    27.358    26.742    26.374    13.249  5.2275  13.723  5.2076  -0.4732313     7.378791 
1 1 1 -11 -31 30 o 18.100  3.7177  55.442    20.654    30.370    29.943    78.199    28.526    14.324  5.5210  21.876  4.9802  -7.551790      7.435313 
1 1 1 -11 -31 31 o 13.372  3.5307  20.662    18.595    47.115    27.646    -1.1919   25.128    16.588  5.4133  10.156  4.5341  6.431479       7.061307 
1 1 1 -11 -30 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -30 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -30 3  o 33.088  2.4179  155.759   21.061    171.291   30.531    141.658   29.090    34.727  3.3230  31.450  3.5133  3.276678       4.835848 
1 1 1 -11 -30 4  f 22.702  2.9085  76.485    16.943    72.106    25.013    80.198    23.030    21.934  4.4105  23.470  3.7928  -1.536673      5.817080 
1 1 1 -11 -30 5  o 21.508  2.9838  67.862    16.450    75.230    25.233    62.417    21.693    22.474  4.3490  20.542  4.0863  1.931337       5.967567 
1 1 1 -11 -30 6  o 45.606  2.2379  291.286   27.098    319.827   39.116    264.947   37.576    47.819  3.0702  43.392  3.2569  4.427887       4.475842 
1 1 1 -11 -30 7  o 21.676  2.9578  68.725    16.496    78.641    24.658    60.692    22.194    23.134  4.1311  20.217  4.2341  2.916248       5.915544 
1 1 1 -11 -30 8  o 20.138  3.1052  59.877    16.263    71.082    24.270    50.745    21.910    21.905  4.2901  18.371  4.4906  3.534042       6.210494 
1 1 1 -11 -30 9  o 19.861  2.7748  57.466    14.073    60.085    21.859    55.612    18.392    20.145  4.1878  19.577  3.6415  0.5673294      5.549601 
1 1 1 -11 -30 10 o 16.810  3.2859  43.355    15.655    31.658    23.622    52.516    20.906    14.839  5.0087  18.782  4.2544  -3.942812      6.571709 
1 1 1 -11 -30 11 o 26.690  2.7095  104.525   18.372    84.100    26.620    123.104   25.389    23.861  4.3244  29.518  3.2659  -5.656998      5.419092 
1 1 1 -11 -30 12 o 37.474  2.3590  198.647   23.089    237.956   33.146    161.593   32.181    41.281  3.0187  33.668  3.6258  7.613159       4.717944 
1 1 1 -11 -30 13 o 52.701  2.2463  389.247   31.515    371.663   44.955    406.241   44.194    51.451  3.2792  53.951  3.0710  -2.499279      4.492618 
1 1 1 -11 -30 14 o 14.178  3.3872  28.681    15.430    22.566    23.508    33.309    20.452    13.348  4.9474  15.008  4.6277  -1.660380      6.774419 
1 1 1 -11 -30 15 o 33.370  2.4901  158.212   21.908    165.432   31.426    151.386   30.557    34.135  3.4861  32.604  3.5567  1.531567       4.980258 
1 1 1 -11 -30 16 o 15.020  3.1631  32.709    15.355    9.7868    22.824    51.659    20.753    11.431  4.6807  18.610  4.2559  -7.179454      6.326241 
1 1 1 -11 -30 17 o 33.640  2.5062  161.324   22.198    151.850   31.473    170.702   31.313    32.576  3.6710  34.704  3.4128  -2.128746      5.012354 
1 1 1 -11 -30 18 o 41.546  2.3550  243.694   25.939    260.771   36.880    226.976   36.490    43.063  3.2207  40.030  3.4367  3.033482       4.709923 
1 1 1 -11 -30 19 o 23.518  3.0033  82.917    18.046    68.459    26.154    96.053    24.931    21.243  4.7193  25.793  3.7159  -4.550209      6.006616 
1 1 1 -11 -30 20 o 22.091  3.3448  74.422    19.172    68.487    27.975    79.677    26.325    21.082  5.0252  23.100  4.4156  -2.018122      6.689584 
1 1 1 -11 -30 21 o 21.377  3.3745  71.314    19.142    48.584    27.608    92.356    26.563    17.690  5.3620  25.064  4.0984  -7.373831      6.748910 
1 1 1 -11 -30 22 o 13.592  3.4438  22.354    16.620    38.751    24.713    8.8160    22.457    15.995  5.1092  11.188  4.6191  4.806673       6.887691 
1 1 1 -11 -30 23 o 29.426  2.9085  127.067   22.296    128.329   31.754    125.840   31.312    29.567  4.1218  29.285  4.1047  0.2817516      5.817027 
1 1 1 -11 -30 24 o 15.429  3.6177  35.030    18.070    22.200    25.929    47.146    25.197    13.437  5.1481  17.422  5.0842  -3.984713      7.235473 
1 1 1 -11 -30 25 o 41.216  2.5181  243.376   27.456    223.501   38.462    264.026   39.204    39.394  3.6881  43.038  3.4293  -3.644363      5.036130 
1 1 1 -11 -30 26 f 34.260  2.7766  171.787   24.621    204.333   35.261    140.823   34.394    37.732  3.5301  30.789  4.2869  6.942657       5.553259 
1 1 1 -11 -30 27 o 39.017  2.5877  220.046   26.717    218.362   38.155    221.666   37.424    38.827  3.7141  39.207  3.6040  -0.3796425     5.175302 
1 1 1 -11 -30 28 o 43.912  2.5090  277.968   29.247    276.470   41.852    279.397   40.887    43.747  3.6038  44.077  3.4918  -0.3296089     5.017961 
1 1 1 -11 -30 29 o 17.057  3.8207  46.625    19.537    48.290    28.703    45.187    26.667    17.292  5.5043  16.821  5.3004  0.4710464      7.641467 
1 1 1 -11 -30 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -30 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -30 32 o 8.8926  2.9426  -17.0336  17.467    -13.6391  25.410    -20.0746  24.050    9.2635  4.2951  8.5216  4.0233  0.7418194      5.885149 
1 1 1 -11 -30 33 o 36.033  2.8348  197.633   26.856    193.924   38.674    201.088   37.321    35.569  4.1367  36.498  3.8770  -0.9291916     5.669520 
1 1 1 -11 -30 34 o 22.121  3.7192  83.697    21.712    82.101    31.191    85.197    30.241    21.794  5.3766  22.448  5.1403  -0.6537876     7.438402 
1 1 1 -11 -29 1  o 19.191  3.0364  57.578    16.076    26.938    23.347    85.206    22.169    14.002  4.9664  24.381  3.4947  -10.37921      6.072758 
1 1 1 -11 -29 2  o 41.586  2.2602  243.352   24.896    227.151   35.726    258.645   34.712    40.135  3.3541  43.037  3.0306  -2.902241      4.520449 
1 1 1 -11 -29 3  o 10.693  2.8917  7.3389    11.995    24.338    19.403    -3.1751   15.260    13.267  4.5392  8.1190  3.5838  5.148338       5.783424 
1 1 1 -11 -29 4  o 41.447  2.2106  240.154   24.352    242.537   34.961    237.907   33.939    41.629  3.1590  41.264  3.0932  0.3648834      4.421233 
1 1 1 -11 -29 5  o 36.786  2.2621  189.513   22.036    194.775   32.191    184.872   30.228    37.237  3.2603  36.335  3.1367  0.9024734      4.524210 
1 1 1 -11 -29 6  o 11.113  2.9699  13.942    12.081    10.092    19.079    16.520    15.610    10.842  4.3371  11.384  4.0585  -0.5415955     5.939896 
1 1 1 -11 -29 7  o 21.610  2.7562  66.707    15.176    91.466    22.942    47.446    20.235    25.350  3.4699  17.870  4.2834  7.480141       5.512494 
1 1 1 -11 -29 8  o 12.908  3.1059  21.747    12.968    30.329    19.600    15.064    17.296    14.455  4.5424  11.360  4.2372  3.094826       6.211848 
1 1 1 -11 -29 9  o 30.074  2.4602  128.146   19.411    127.047   28.255    129.128   26.712    29.894  3.6013  30.255  3.3527  -0.3608437     4.920399 
1 1 1 -11 -29 10 o 23.932  2.7163  82.069    16.765    92.298    24.788    73.446    22.759    25.357  3.7638  22.507  3.9176  2.850035       5.432640 
1 1 1 -11 -29 11 o 24.090  2.6731  83.224    16.654    87.963    24.413    79.100    22.776    24.730  3.8078  23.450  3.7528  1.279863       5.346279 
1 1 1 -11 -29 12 o 35.607  2.3375  178.019   21.976    193.858   31.366    162.747   30.800    37.237  3.1752  33.977  3.4313  3.260170       4.675006 
1 1 1 -11 -29 13 o 17.614  3.2145  46.436    15.243    44.626    22.653    47.933    20.606    17.254  4.7509  17.973  4.3314  -0.7181854     6.429017 
1 1 1 -11 -29 14 o 13.603  2.9871  20.286    13.863    47.913    21.135    -0.5761   18.366    17.942  4.4255  9.2640  4.0131  8.677732       5.974126 
1 1 1 -11 -29 15 o 18.469  3.1695  51.327    15.631    42.363    22.704    59.405    21.552    16.823  4.8016  20.114  4.1385  -3.290323      6.338992 
1 1 1 -11 -29 16 o 46.351  2.2612  299.869   27.887    287.346   39.073    312.871   39.813    45.337  3.2390  47.366  3.1562  -2.028759      4.522491 
1 1 1 -11 -29 17 o 44.091  2.2617  271.745   26.518    274.844   37.129    268.518   37.885    44.380  3.1439  43.802  3.2523  0.5774498      4.523444 
1 1 1 -11 -29 18 o 27.091  2.7578  105.582   19.396    114.505   27.953    97.298    26.935    28.263  3.7878  25.918  4.0094  2.344688       5.515671 
1 1 1 -11 -29 19 o 24.436  2.9332  86.934    18.469    96.968    26.868    77.947    25.429    25.861  4.0086  23.011  4.2833  2.849028       5.866422 
1 1 1 -11 -29 20 o 35.446  2.4729  177.942   23.172    176.820   32.759    179.065   32.781    35.327  3.5085  35.565  3.4860  -0.2377052     4.945859 
1 1 1 -11 -29 21 o 28.968  2.6720  120.547   20.227    125.304   28.843    115.943   28.374    29.565  3.7250  28.371  3.8318  1.193542       5.343995 
1 1 1 -11 -29 22 o 24.546  3.0622  89.614    19.218    108.419   27.342    71.255    27.016    27.402  3.8300  21.690  4.7792  5.711452       6.124465 
1 1 1 -11 -29 23 o 22.905  3.2100  79.611    18.979    53.886    26.541    106.531   27.151    18.680  5.1421  27.130  3.8440  -8.449259      6.420055 
1 1 1 -11 -29 24 o 14.864  3.5587  31.993    16.878    34.985    24.284    29.197    23.476    15.372  5.0763  14.355  4.9888  1.016668       7.117361 
1 1 1 -11 -29 25 o 8.2971  2.7188  -16.5312  14.746    -29.3472  21.719    -5.5700   20.086    7.5497  3.6345  9.0444  4.0445  -1.494719      5.437601 
1 1 1 -11 -29 26 o 30.114  2.8393  133.122   22.134    117.255   31.522    148.553   31.086    28.117  4.3241  32.110  3.6809  -3.992626      5.678638 
1 1 1 -11 -29 27 o 35.145  2.6267  178.663   24.272    169.173   34.931    187.523   33.750    34.112  3.8929  36.179  3.5276  -2.067524      5.253437 
1 1 1 -11 -29 28 o 8.9124  2.8598  -10.3171  15.138    -21.1491  22.164    -0.8455   20.725    8.1731  3.8599  9.6518  4.2209  -1.478746      5.719629 
1 1 1 -11 -29 29 o 19.421  3.5682  58.854    19.166    77.101    27.844    42.423    26.422    22.341  4.7964  16.502  5.2841  5.839699       7.136306 
1 1 1 -11 -29 30 f 44.038  2.4423  278.031   28.571    285.562   40.847    270.818   39.978    44.633  3.4433  43.443  3.4645  1.190422       4.884578 
1 1 1 -11 -29 31 o 52.248  2.3865  390.658   33.197    408.490   47.843    374.099   46.102    53.414  3.3612  51.082  3.3887  2.332172       4.772943 
1 1 1 -11 -29 32 o 12.603  3.5676  17.446    18.487    9.2367    28.312    23.548    24.410    11.949  5.0755  13.258  5.0151  -1.308187      7.135269 
1 1 1 -11 -29 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -29 34 o 19.582  5.3032  64.039    28.501    64.039    28.501    0.0000    0.0000    19.582  5.3032  ?       ?       ?              ?        
1 1 1 -11 -29 35 o 9.8049  3.1008  -2.3467   16.695    -3.4721   24.055    -1.3007   23.191    9.7817  4.3964  9.8280  4.3739  -0.4627609E-01 6.201543 
1 1 1 -11 -29 36 o 20.441  3.7445  72.255    20.678    75.513    29.415    69.073    29.074    20.954  5.2514  19.928  5.3392  1.026018       7.488967 
1 1 1 -11 -28 1  o 29.323  2.4055  120.970   18.431    139.007   27.110    105.470   25.132    31.425  3.2686  27.220  3.5301  4.204687       4.811015 
1 1 1 -11 -28 2  o 36.981  2.2389  191.380   21.949    190.023   31.545    192.654   30.559    36.821  3.2311  37.141  3.1001  -0.3203278     4.477790 
1 1 1 -11 -28 3  o 13.630  3.0752  25.552    12.764    34.104    19.297    18.900    17.018    15.216  4.4519  12.043  4.2436  3.173250       6.150402 
1 1 1 -11 -28 4  o 14.690  2.8752  31.593    12.934    11.955    19.119    48.164    17.563    11.162  4.3808  18.217  3.7250  -7.054466      5.750450 
1 1 1 -11 -28 5  f 30.495  2.3631  130.530   18.964    138.235   27.529    123.572   26.163    31.365  3.3277  29.626  3.3562  1.739046       4.726290 
1 1 1 -11 -28 6  o 26.616  2.5259  101.080   17.423    92.004    25.196    109.398   24.120    25.338  3.8322  27.895  3.2916  -2.556913      5.051827 
1 1 1 -11 -28 7  o 15.066  3.1163  32.856    13.281    35.702    20.231    30.701    17.605    15.598  4.5568  14.534  4.2521  1.063872       6.232608 
1 1 1 -11 -28 8  o 30.943  2.3060  134.117   18.799    130.154   26.976    137.857   26.210    30.452  3.3635  31.434  3.1556  -0.9817314     4.612055 
1 1 1 -11 -28 9  o 16.162  3.1709  38.652    14.226    34.844    21.414    41.659    19.032    15.479  4.7291  16.846  4.2254  -1.366790      6.341797 
1 1 1 -11 -28 10 o 40.032  2.1832  222.239   23.182    239.365   33.060    205.671   32.517    41.601  2.9868  38.463  3.1850  3.138325       4.366345 
1 1 1 -11 -28 11 o 17.579  3.0491  46.245    14.302    37.708    21.760    52.737    18.978    16.050  4.7365  19.109  3.8410  -3.058754      6.098163 
1 1 1 -11 -28 12 o 12.979  3.1270  20.957    13.047    31.223    20.506    13.976    16.911    14.778  4.6466  11.180  4.1859  3.598449       6.254005 
1 1 1 -11 -28 13 o 26.320  2.5973  99.389    17.519    84.661    25.512    112.531   24.099    24.261  4.0701  28.378  3.2279  -4.116980      5.194699 
1 1 1 -11 -28 14 o 27.596  2.5635  107.609   18.362    122.480   26.388    93.649    25.567    29.558  3.3946  25.634  3.8421  3.924191       5.126936 
1 1 1 -11 -28 15 o 38.210  2.2881  203.044   23.176    192.923   32.604    213.383   32.952    37.211  3.3056  39.209  3.1646  -1.998508      4.576208 
1 1 1 -11 -28 16 o 22.290  2.8961  71.649    16.638    76.859    24.167    66.954    22.939    23.091  4.0554  21.489  4.1355  1.602131       5.792129 
1 1 1 -11 -28 17 o 50.850  2.1669  357.351   29.360    341.499   41.050    373.951   42.008    49.673  3.1009  52.026  3.0277  -2.352993      4.333822 
1 1 1 -11 -28 18 o 28.005  2.6657  111.584   19.312    128.549   27.659    95.447    26.976    30.233  3.4791  25.778  4.0396  4.454105       5.331312 
1 1 1 -11 -28 19 o 38.758  2.3196  209.658   23.802    194.268   33.525    225.304   33.801    37.259  3.3966  40.258  3.1600  -2.998547      4.639227 
1 1 1 -11 -28 20 o 22.892  2.9255  76.158    17.234    85.974    24.606    66.706    24.146    24.474  3.8833  21.311  4.3765  3.162134       5.851019 
1 1 1 -11 -28 21 o 20.273  3.2740  61.423    17.502    49.523    24.744    73.339    24.759    18.159  4.9511  22.387  4.2852  -4.227917      6.547955 
1 1 1 -11 -28 22 o 19.404  3.4075  56.543    17.664    51.249    24.746    62.043    25.222    18.444  4.9188  20.363  4.7169  -1.919680      6.814949 
1 1 1 -11 -28 23 o 29.637  2.6068  124.953   20.218    117.055   27.981    133.582   29.247    28.621  3.7394  30.652  3.6330  -2.030802      5.213620 
1 1 1 -11 -28 24 o 28.543  2.6855  116.965   19.994    118.554   27.738    115.247   28.846    28.804  3.6793  28.281  3.9128  0.5227623      5.370950 
1 1 1 -11 -28 25 f 50.084  2.2839  351.559   30.473    356.633   43.175    346.522   43.016    50.458  3.2113  49.709  3.2486  0.7482910      4.567878 
1 1 1 -11 -28 26 o 86.269  2.4804  1050.30   57.234    1110.03   80.884    990.407   80.999    88.860  3.3983  83.677  3.6140  5.183403       4.960800 
1 1 1 -11 -28 27 o 13.924  3.5201  24.778    16.980    37.582    25.299    14.282    22.905    15.840  5.1789  12.009  4.7689  3.830520       7.040171 
1 1 1 -11 -28 28 o 33.920  2.5323  164.760   22.653    169.278   32.478    160.479   31.613    34.378  3.5796  33.463  3.5827  0.9148560      5.064564 
1 1 1 -11 -28 29 o 30.941  2.6893  138.783   21.807    143.374   31.441    134.527   30.272    31.433  3.8125  30.448  3.7941  0.9848976      5.378679 
1 1 1 -11 -28 30 o 25.104  3.1785  95.511    20.411    116.958   29.253    75.165    28.492    28.215  3.9814  21.992  4.9557  6.223579       6.356983 
1 1 1 -11 -28 31 o 15.142  3.3980  32.100    17.660    5.9048    25.500    56.242    24.480    11.281  4.8047  19.004  4.8062  -7.723575      6.795933 
1 1 1 -11 -28 32 o 13.289  3.3578  17.010    17.225    45.819    25.519    -7.1034   23.347    17.035  5.1533  9.5429  4.3061  7.491891       6.715551 
1 1 1 -11 -28 33 o 12.922  3.5012  20.842    17.040    25.722    24.428    16.218    23.781    13.638  5.0457  12.207  4.8555  1.431481       7.002441 
1 1 1 -11 -28 34 o 17.064  3.6058  46.542    18.568    30.049    26.528    62.383    25.998    14.352  5.2668  19.776  4.9264  -5.424079      7.211699 
1 1 1 -11 -28 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -28 36 o 19.041  5.2758  60.781    27.835    60.781    27.835    0.0000    0.0000    19.041  5.2758  ?       ?       ?              ?        
1 1 1 -11 -28 37 o 17.798  3.7716  54.524    19.802    66.047    27.849    42.741    28.161    19.729  5.1975  15.867  5.4668  3.862499       7.543211 
1 1 1 -11 -28 38 o 17.207  3.5086  50.048    19.342    20.024    27.433    79.723    27.273    12.531  5.1314  21.883  4.7864  -9.352360      7.017147 
1 1 1 -11 -27 1  o 22.967  2.6011  75.540    15.391    85.312    22.050    66.256    21.493    24.530  3.4514  21.404  3.8924  3.126060       5.202177 
1 1 1 -11 -27 2  o 16.881  2.8125  40.277    12.552    54.513    19.369    29.969    16.482    19.399  3.8634  14.362  4.0883  5.036584       5.625003 
1 1 1 -11 -27 3  o 9.8763  2.7938  7.2617    10.900    10.497    17.811    5.3247    13.782    10.740  4.2241  9.0127  3.6575  1.727241       5.587573 
1 1 1 -11 -27 4  o 24.178  2.6769  86.469    16.084    60.162    23.462    109.792   22.091    20.244  4.4483  28.112  2.9792  -7.867968      5.353803 
1 1 1 -11 -27 5  o 17.521  2.8804  44.101    13.282    53.481    19.803    36.432    17.906    19.229  3.9763  15.814  4.1684  3.414393       5.760764 
1 1 1 -11 -27 6  o 26.343  2.5420  98.324    17.350    90.750    25.209    105.140   23.915    25.265  3.8465  27.420  3.3243  -2.154102      5.083903 
1 1 1 -11 -27 7  o 18.483  2.9333  49.646    14.101    48.805    21.153    50.319    18.916    18.281  4.3779  18.686  3.9052  -0.4059238     5.866566 
1 1 1 -11 -27 8  o 57.112  2.1255  447.736   32.391    480.829   46.206    415.761   45.418    59.269  2.9106  54.954  3.0982  4.314915       4.250945 
1 1 1 -11 -27 9  o 24.518  2.6366  84.805    16.670    97.830    24.211    73.064    22.987    26.409  3.5096  22.627  3.9357  3.782274       5.273260 
1 1 1 -11 -27 10 o 33.407  2.2283  154.286   19.684    163.266   28.224    145.780   27.467    34.379  3.0983  32.436  3.2033  1.942089       4.456534 
1 1 1 -11 -27 11 o 11.638  2.8088  12.682    12.596    -10.2316  18.621    32.010    17.102    8.3593  3.8013  14.917  4.1361  -6.557878      5.617574 
1 1 1 -11 -27 12 o 17.338  4.2374  37.450    19.223    36.005    20.925    45.266    48.660    15.814  4.6384  18.862  7.0929  -3.047630      8.474898 
1 1 1 -11 -27 13 o 48.049  3.0043  317.056   38.471    317.056   38.471    0.0000    0.0000    48.049  3.0043  ?       ?       ?              ?        
1 1 1 -11 -27 14 o 42.100  3.1295  244.208   35.037    244.208   35.037    0.0000    0.0000    42.100  3.1295  ?       ?       ?              ?        
1 1 1 -11 -27 15 o 42.541  3.1123  249.276   35.217    249.276   35.217    0.0000    0.0000    42.541  3.1123  ?       ?       ?              ?        
1 1 1 -11 -27 16 o 13.522  4.7430  23.536    21.243    23.536    21.243    0.0000    0.0000    13.522  4.7430  ?       ?       ?              ?        
1 1 1 -11 -27 17 o 26.910  4.0814  85.823    24.004    69.428    26.636    156.702   55.382    21.803  4.6995  32.017  6.6743  -10.21464      8.162836 
1 1 1 -11 -27 18 f 21.134  3.1046  65.272    16.993    56.084    24.451    73.856    23.633    19.549  4.7226  22.719  4.0313  -3.170073      6.209250 
1 1 1 -11 -27 19 o 31.129  2.4028  135.475   19.638    143.716   27.390    126.757   28.172    32.178  3.2213  30.080  3.5660  2.097145       4.805501 
1 1 1 -11 -27 20 o 37.630  2.3006  196.628   22.923    204.921   32.092    187.990   32.754    38.490  3.1402  36.770  3.3629  1.720501       4.601104 
1 1 1 -11 -27 21 o 15.179  3.3479  31.577    15.813    46.371    22.722    17.684    22.019    17.746  4.7042  12.612  4.7650  5.134374       6.695855 
1 1 1 -11 -27 22 o 18.163  3.0480  49.429    16.017    18.501    23.083    78.150    22.244    12.870  4.8748  23.456  3.6601  -10.58585      6.095953 
1 1 1 -11 -27 23 o 24.849  2.8418  88.729    18.240    83.006    25.818    94.432    25.773    23.970  4.1728  25.729  3.8589  -1.758745      5.683600 
1 1 1 -11 -27 24 o 35.273  2.3870  174.227   22.252    182.951   31.500    165.537   31.437    36.202  3.2843  34.344  3.4648  1.857925       4.774099 
1 1 1 -11 -27 25 o 35.913  2.4078  180.974   22.865    189.891   32.532    172.268   32.144    36.827  3.3341  34.999  3.4748  1.828819       4.815670 
1 1 1 -11 -27 26 o 47.403  2.2295  313.027   28.146    315.586   39.927    310.499   39.682    47.598  3.1496  47.207  3.1565  0.3906212      4.459083 
1 1 1 -11 -27 27 o 7.7622  2.5643  -20.7597  13.415    -4.9405   19.980    -33.7437  18.101    9.1422  4.0647  6.3821  3.1275  2.760118       5.128646 
1 1 1 -11 -27 28 o 41.386  2.3301  241.051   25.610    238.762   36.484    243.275   35.959    41.166  3.3375  41.607  3.2525  -0.4406891     4.660282 
1 1 1 -11 -27 29 o 27.450  2.9374  112.998   20.276    86.399    29.524    136.743   27.895    23.894  4.7801  31.006  3.4154  -7.111904      5.874885 
1 1 1 -11 -27 30 o 12.683  3.4084  19.009    16.051    23.928    23.282    14.553    22.158    13.454  4.9345  11.912  4.7031  1.541767       6.816824 
1 1 1 -11 -27 31 o 53.750  2.2588  407.435   32.361    422.262   46.374    393.362   45.180    54.719  3.1777  52.780  3.2111  1.938934       4.517624 
1 1 1 -11 -27 32 o 20.563  3.3354  66.999    19.400    29.719    27.534    103.748   27.337    14.580  5.3635  26.546  3.9665  -11.96565      6.670810 
1 1 1 -11 -27 33 o 24.660  3.1674  92.221    20.141    97.739    28.848    86.974    28.131    25.449  4.3907  23.870  4.5663  1.579466       6.334828 
1 1 1 -11 -27 34 o 37.532  2.5187  204.026   24.742    237.925   35.450    171.831   34.548    40.812  3.2704  34.252  3.8314  6.560349       5.037384 
1 1 1 -11 -27 35 o 26.437  3.1552  106.531   21.534    111.485   31.086    101.961   29.860    27.050  4.4450  25.824  4.4793  1.225971       6.310460 
1 1 1 -11 -27 36 o 24.865  3.1975  95.787    20.473    92.753    29.652    98.550    28.302    24.334  4.7196  25.395  4.3152  -1.060688      6.394980 
1 1 1 -11 -27 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -27 38 o 18.370  3.8129  57.949    20.660    41.981    29.493    73.334    28.951    15.826  5.5854  20.915  5.1920  -5.088872      7.625845 
1 1 1 -11 -27 39 o 10.977  3.2325  -4.7512   18.379    -38.6804  25.214    33.719    26.848    7.5794  3.7093  14.375  5.2950  -6.796012      6.464957 
1 1 1 -11 -26 1  o 29.711  2.2425  122.777   17.535    132.305   25.089    113.680   24.517    30.882  3.0740  28.540  3.2660  2.341843       4.485093 
1 1 1 -11 -26 2  o 63.245  2.1401  548.577   36.246    564.557   51.710    533.142   50.821    64.159  3.0090  62.331  3.0440  1.827763       4.280233 
1 1 1 -11 -26 3  o 17.882  2.8329  45.918    13.178    48.989    19.742    43.450    17.697    18.402  4.1091  17.361  3.9008  1.041115       5.665769 
1 1 1 -11 -26 4  o 40.924  2.1148  230.217   23.018    234.541   32.685    225.961   32.423    41.313  2.9736  40.535  3.0078  0.7782974      4.229504 
1 1 1 -11 -26 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -26 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -26 7  o 46.655  3.7299  301.832   46.220    0.0000    0.0000    301.832   46.220    ?       ?       46.655  3.7299  ?              ?        
1 1 1 -11 -26 8  o 43.038  2.0730  253.499   23.752    259.170   33.846    247.997   33.339    43.518  2.9206  42.559  2.9428  0.9592628      4.146090 
1 1 1 -11 -26 9  o 31.799  2.2257  139.463   18.689    133.465   26.496    145.401   26.364    31.088  3.2291  32.509  3.0639  -1.420918      4.451309 
1 1 1 -11 -26 10 o 13.983  2.9517  27.557    12.229    18.938    18.075    34.834    16.608    12.373  4.3720  15.593  3.9669  -3.219672      5.903413 
1 1 1 -11 -26 11 o 49.327  2.0730  332.536   27.222    309.938   38.290    355.631   38.708    47.597  3.0190  51.057  2.8417  -3.459976      4.146046 
1 1 1 -11 -26 12 o 32.029  2.2478  141.867   18.864    161.945   26.788    122.114   26.569    34.371  2.9380  29.687  3.4028  4.683653       4.495676 
1 1 1 -11 -26 13 o 28.319  2.5148  114.200   17.755    77.967    25.007    151.032   25.213    23.433  4.1354  33.205  2.8628  -9.772001      5.029634 
1 1 1 -11 -26 14 o 31.307  2.2805  135.206   18.849    134.707   26.672    135.704   26.641    31.246  3.2337  31.368  3.2164  -0.1217937     4.560946 
1 1 1 -11 -26 15 o 19.508  2.8575  54.553    14.419    51.334    20.973    57.438    19.855    18.899  4.2467  20.118  3.8245  -1.218534      5.714993 
1 1 1 -11 -26 16 o 55.896  2.0989  426.936   31.299    435.196   43.965    418.449   44.568    56.464  2.9170  55.327  3.0188  1.136993       4.197862 
1 1 1 -11 -26 17 o 15.812  2.9816  35.186    14.738    7.8893    21.562    59.122    20.192    11.217  4.5663  20.406  3.8350  -9.188571      5.963139 
1 1 1 -11 -26 18 o 58.873  2.0997  472.963   33.048    461.115   46.253    485.320   47.235    58.079  2.9833  59.667  2.9556  -1.588333      4.199473 
1 1 1 -11 -26 19 o 71.791  2.2052  703.813   42.369    664.978   59.090    744.907   60.783    69.733  3.1636  73.848  3.0730  -4.115166      4.410396 
1 1 1 -11 -26 20 o 38.635  2.2397  205.485   22.939    191.508   32.090    220.090   32.802    37.256  3.2483  40.014  3.0844  -2.757328      4.479379 
1 1 1 -11 -26 21 o 68.077  4.1229  646.721   74.824    0.0000    0.0000    646.721   74.824    ?       ?       68.077  4.1229  ?              ?        
1 1 1 -11 -26 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -26 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -26 24 o 21.802  3.1325  69.992    17.671    87.789    24.881    51.877    25.103    24.858  3.8622  18.745  4.9328  6.113283       6.264907 
1 1 1 -11 -26 25 o 61.815  2.1715  525.946   35.893    520.511   50.755    531.383   50.764    61.448  3.0937  62.181  3.0480  -0.7338142     4.342936 
1 1 1 -11 -26 26 o 28.596  2.5588  115.360   19.002    132.888   27.380    99.072    26.394    30.813  3.3726  26.378  3.8490  4.434370       5.117507 
1 1 1 -11 -26 27 o 11.185  3.1581  9.3393    14.703    -0.1030   21.437    17.726    20.203    10.066  4.3482  12.304  4.5814  -2.237299      6.316290 
1 1 1 -11 -26 28 o 21.194  3.1647  66.428    17.387    65.420    25.162    67.350    24.055    20.986  4.6030  21.403  4.3445  -0.4169235     6.329479 
1 1 1 -11 -26 29 o 29.786  2.5482  125.833   19.873    136.807   28.838    115.908   27.424    31.069  3.5279  28.502  3.6780  2.567070       5.096437 
1 1 1 -11 -26 30 o 32.200  2.5601  148.400   21.574    138.030   31.230    157.867   29.839    30.986  3.8455  33.413  3.3806  -2.427185      5.120132 
1 1 1 -11 -26 31 o 23.385  3.1872  83.241    19.106    65.786    27.694    99.095    26.394    20.658  5.0479  26.113  3.8925  -5.455235      6.374452 
1 1 1 -11 -26 32 o 40.058  2.3303  227.171   24.771    235.756   35.414    218.947   34.662    40.822  3.2662  39.294  3.3245  1.527542       4.660501 
1 1 1 -11 -26 33 o 14.774  3.4064  31.208    16.374    46.500    23.250    16.161    23.063    17.333  4.8286  12.216  4.8061  5.117061       6.812736 
1 1 1 -11 -26 34 o 35.311  2.5240  180.311   23.453    169.952   33.820    189.907   32.551    34.192  3.7546  36.430  3.3743  -2.237846      5.048021 
1 1 1 -11 -26 35 o 19.666  3.5433  61.095    18.720    65.093    27.022    57.405    25.958    20.296  5.0027  19.036  5.0193  1.259689       7.086631 
1 1 1 -11 -26 36 o 23.739  3.3228  88.985    20.427    53.944    28.477    126.130   29.319    18.223  5.4283  29.256  3.8338  -11.03333      6.645647 
1 1 1 -11 -26 37 o 7.0241  3.4176  -54.4458  14.416    -76.4745  20.250    -31.8116  20.527    ?       ?       7.0241  3.4176  ?              ?        
1 1 1 -11 -26 38 o 9.9496  4.4449  -3.0646   24.195    0.0000    0.0000    -3.0646   24.195    ?       ?       9.9496  4.4449  ?              ?        
1 1 1 -11 -26 39 o 23.236  4.9902  88.211    30.131    88.211    30.131    0.0000    0.0000    23.236  4.9902  ?       ?       ?              ?        
1 1 1 -11 -26 40 o 14.012  3.4332  25.355    18.733    -6.5313   26.690    56.311    26.298    9.9060  4.5226  18.117  5.1667  -8.211157      6.866453 
1 1 1 -11 -25 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -25 2  o 47.552  2.7095  306.172   30.901    332.495   58.605    296.035   36.368    48.595  4.5557  46.510  2.9344  2.084705       5.418983 
1 1 1 -11 -25 3  o 14.539  2.8193  29.049    11.777    42.722    17.359    17.389    16.031    17.286  3.8483  11.793  4.1211  5.492743       5.638530 
1 1 1 -11 -25 4  o 51.191  2.0241  357.362   27.631    371.819   39.378    343.338   38.782    52.226  2.8255  50.156  2.8992  2.069382       4.048284 
1 1 1 -11 -25 5  o 49.002  2.0230  327.379   26.397    350.603   37.664    304.959   37.007    50.739  2.7820  47.265  2.9377  3.474064       4.045912 
1 1 1 -11 -25 6  o 43.232  2.0462  255.054   23.517    274.032   33.536    236.692   32.988    44.845  2.8060  41.619  2.9788  3.225986       4.092328 
1 1 1 -11 -25 7  o 11.900  2.7481  18.297    10.678    7.9076    15.992    26.656    14.344    10.071  3.9894  13.729  3.7807  -3.657686      5.496262 
1 1 1 -11 -25 8  o 37.184  2.0664  188.924   20.363    205.654   29.046    172.756   28.554    38.840  2.8110  35.528  3.0296  3.311985       4.132815 
1 1 1 -11 -25 9  o 27.453  2.3474  105.163   16.671    89.585    23.992    119.709   23.183    25.357  3.6365  29.548  2.9693  -4.191452      4.694813 
1 1 1 -11 -25 10 o 23.553  2.5913  77.762    15.761    71.377    22.491    83.921    22.092    22.528  3.8667  24.579  3.4508  -2.050722      5.182624 
1 1 1 -11 -25 11 o 53.243  2.0381  385.849   28.937    398.598   40.727    372.850   41.123    54.153  2.8176  52.334  2.9456  1.819084       4.076204 
1 1 1 -11 -25 12 o 93.687  2.3707  1195.81   59.489    1201.04   84.249    1190.62   84.011    93.892  3.3500  93.482  3.3552  0.4102402      4.741332 
1 1 1 -11 -25 13 o 24.184  2.5733  81.577    16.151    82.466    22.942    80.702    22.743    24.318  3.6335  24.049  3.6449  0.2693901      5.146641 
1 1 1 -11 -25 14 o 51.986  2.0441  368.539   28.260    403.145   39.695    332.975   40.241    54.555  2.7165  49.417  3.0552  5.138432       4.088247 
1 1 1 -11 -25 15 o 24.430  2.6095  83.737    16.421    94.392    23.139    72.926    23.307    26.109  3.3887  22.750  3.9692  3.359066       5.218949 
1 1 1 -11 -25 16 o 77.926  2.2079  828.337   45.899    906.976   64.635    748.337   65.191    81.731  2.9525  74.121  3.2837  7.610672       4.415864 
1 1 1 -11 -25 17 o 33.100  2.2365  150.303   19.579    144.676   27.360    156.208   28.028    32.454  3.1887  33.747  3.1367  -1.293041      4.472909 
1 1 1 -11 -25 18 o 14.469  3.1881  28.932    13.689    28.001    19.386    29.859    19.332    14.287  4.5211  14.651  4.4963  -0.3638945     6.376247 
1 1 1 -11 -25 19 o 31.731  2.2614  138.424   18.928    128.975   26.420    148.388   27.132    30.588  3.2756  32.874  3.1187  -2.285404      4.522809 
1 1 1 -11 -25 20 o 20.746  2.8567  61.606    15.263    48.992    21.521    74.370    21.649    18.455  4.4133  23.038  3.6285  -4.582729      5.713442 
1 1 1 -11 -25 21 o 22.339  2.7613  71.149    15.716    53.191    21.961    90.002    22.501    19.232  4.3633  25.446  3.3854  -6.214134      5.522674 
1 1 1 -11 -25 22 o 14.884  3.1310  29.540    14.504    47.422    20.720    12.362    20.309    18.142  4.3251  11.626  4.5284  6.516681       6.262034 
1 1 1 -11 -25 23 o 64.309  2.1224  564.118   36.551    548.908   51.532    579.516   51.851    63.424  3.0334  65.194  2.9693  -1.769619      4.244840 
1 1 1 -11 -25 24 o 7.0055  2.3442  -18.9814  11.654    -15.5392  16.923    -22.0866  16.073    7.3991  3.4556  6.6120  3.1685  0.7870550      4.688338 
1 1 1 -11 -25 25 o 52.865  3.0179  383.372   42.556    0.0000    0.0000    383.372   42.556    ?       ?       52.865  3.0179  ?              ?        
1 1 1 -11 -25 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -25 27 o 53.519  3.0846  394.605   44.030    394.605   44.030    0.0000    0.0000    53.519  3.0846  ?       ?       ?              ?        
1 1 1 -11 -25 28 o 18.096  3.2657  48.140    15.852    50.634    23.298    45.991    21.631    18.513  4.6922  17.679  4.5433  0.8344803      6.531375 
1 1 1 -11 -25 29 o 37.841  2.2978  199.196   22.906    229.518   33.140    171.461   31.695    40.693  3.0630  34.988  3.4260  5.704529       4.595560 
1 1 1 -11 -25 30 o 62.517  2.1989  541.188   36.749    556.646   52.787    526.650   51.191    63.420  3.1075  61.615  3.1119  1.804962       4.397810 
1 1 1 -11 -25 31 o 26.185  2.8940  100.410   19.388    84.387    27.776    115.633   27.075    23.883  4.5073  28.486  3.6311  -4.602825      5.787994 
1 1 1 -11 -25 32 o 17.088  3.4231  44.234    16.624    35.030    23.615    53.275    23.405    15.414  5.0019  18.762  4.6746  -3.348005      6.846211 
1 1 1 -11 -25 33 o 42.227  2.3072  251.573   25.886    254.933   37.122    248.393   36.115    42.486  3.2877  41.967  3.2379  0.5186920      4.614434 
1 1 1 -11 -25 34 o 13.162  3.0798  13.059    16.487    50.370    23.344    -24.0668  23.287    18.076  4.7570  8.2468  3.9129  9.829496       6.159514 
1 1 1 -11 -25 35 o 35.832  2.5230  185.137   23.849    194.607   33.552    175.466   33.906    36.854  3.4387  34.810  3.6929  2.044384       5.046026 
1 1 1 -11 -25 36 o 18.965  3.5949  57.105    18.680    62.126    26.522    52.161    26.315    19.832  4.9955  18.098  5.1708  1.733501       7.189751 
1 1 1 -11 -25 37 o 21.712  3.4549  74.529    19.683    85.645    27.699    63.189    27.976    23.603  4.5463  19.820  5.2034  3.782661       6.909742 
1 1 1 -11 -25 38 o 11.541  3.3342  9.4292    17.279    23.674    23.658    -6.8558   25.295    13.196  4.9489  9.8858  4.4695  3.309810       6.668477 
1 1 1 -11 -25 39 o 8.3923  2.7841  -17.9521  15.952    -11.2172  22.011    -25.4029  23.151    8.7844  4.0461  8.0002  3.8255  0.7842131      5.568247 
1 1 1 -11 -25 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -25 41 o 24.834  3.5871  102.861   23.052    98.998    32.281    106.882   32.931    24.296  5.1219  25.371  5.0236  -1.075497      7.174277 
1 1 1 -11 -25 42 o 18.378  3.9569  62.344    21.218    61.719    29.387    63.025    30.669    18.349  5.5253  18.407  5.6655  -0.5778313E-01 7.913731 
1 1 1 -11 -24 1  o 36.499  2.0556  182.404   19.882    169.154   28.138    195.616   28.097    35.136  3.0192  37.862  2.7903  -2.725769      4.111135 
1 1 1 -11 -24 2  o 48.498  1.9886  320.282   25.710    313.738   36.645    326.625   36.080    47.994  2.8636  49.002  2.7601  -1.007820      3.977255 
1 1 1 -11 -24 3  o 45.887  2.0031  286.319   24.434    315.053   35.153    259.461   33.986    48.145  2.7373  43.630  2.9251  4.515388       4.006152 
1 1 1 -11 -24 4  o 25.377  2.3106  89.603    14.983    111.634   21.531    68.915    20.864    28.561  2.8527  22.194  3.6356  6.367060       4.621213 
1 1 1 -11 -24 5  o 50.852  1.9940  351.384   27.047    343.870   38.313    358.849   38.188    50.299  2.8555  51.405  2.7839  -1.105598      3.988038 
1 1 1 -11 -24 6  o 34.190  2.0865  159.769   18.895    153.859   27.041    165.407   26.412    33.547  3.0425  34.834  2.8559  -1.286819      4.172915 
1 1 1 -11 -24 7  o 35.128  2.0664  168.737   19.194    154.273   27.297    182.883   26.995    33.593  3.0676  36.663  2.7694  -3.070019      4.132766 
1 1 1 -11 -24 8  o 55.011  2.0025  410.191   29.438    424.308   41.719    396.193   41.544    56.001  2.7813  54.020  2.8816  1.981262       4.004910 
1 1 1 -11 -24 9  o 28.863  2.2618  114.730   17.055    99.464    23.986    130.339   24.254    26.844  3.4131  30.883  2.9686  -4.038382      4.523540 
1 1 1 -11 -24 10 o 49.330  1.9797  330.143   26.046    321.451   36.572    339.090   37.102    48.665  2.8177  49.995  2.7817  -1.329655      3.959441 
1 1 1 -11 -24 11 o 38.055  2.0124  197.031   20.356    198.028   28.461    195.986   29.126    38.162  2.8040  37.947  2.8872  0.2156677      4.024731 
1 1 1 -11 -24 12 o 59.395  2.0279  478.334   32.179    496.072   45.265    460.211   45.754    60.562  2.7905  58.228  2.9432  2.333912       4.055737 
1 1 1 -11 -24 13 o 39.773  2.0554  216.359   21.616    236.495   30.122    194.982   31.038    41.742  2.7088  37.805  3.0922  3.937244       4.110895 
1 1 1 -11 -24 14 o 16.175  2.9710  37.092    12.988    39.354    18.717    34.992    18.038    16.636  4.1999  15.714  4.2035  0.9222155      5.942090 
1 1 1 -11 -24 15 o 25.859  2.4892  93.174    16.543    76.164    23.262    110.579   23.530    23.332  3.8569  28.385  3.1479  -5.052767      4.978492 
1 1 1 -11 -24 16 o 13.966  2.8256  25.312    12.096    42.819    17.651    9.8124    16.609    17.377  3.8894  10.555  4.0997  6.821543       5.651118 
1 1 1 -11 -24 17 o 37.093  2.0709  188.413   20.292    205.939   28.328    169.945   29.081    38.925  2.7344  35.261  3.1110  3.663727       4.141896 
1 1 1 -11 -24 18 o 52.471  2.0230  373.556   28.301    353.500   39.365    395.013   40.717    51.002  2.8935  53.940  2.8281  -2.937515      4.046069 
1 1 1 -11 -24 19 o 60.074  2.0289  488.899   32.640    484.121   45.601    493.918   46.740    59.779  2.8480  60.370  2.8905  -0.5914917     4.057859 
1 1 1 -11 -24 20 o 36.389  2.1392  181.091   20.639    187.003   28.905    174.942   29.480    37.020  2.9393  35.758  3.1089  1.261230       4.278404 
1 1 1 -11 -24 21 o 64.036  2.0827  556.506   35.721    554.919   50.228    558.131   50.813    63.948  2.9325  64.125  2.9584  -0.1773605     4.165495 
1 1 1 -11 -24 22 o 45.215  2.0684  279.214   24.861    295.701   34.872    262.173   35.453    46.612  2.8062  43.819  3.0394  2.793571       4.136760 
1 1 1 -11 -24 23 o 39.597  2.1029  214.398   22.097    230.437   31.427    198.716   31.075    41.097  2.8731  38.098  3.0713  2.999020       4.205710 
1 1 1 -11 -24 24 o 39.575  2.1061  214.384   22.113    231.096   31.446    198.036   31.102    41.139  2.8719  38.011  3.0813  3.127865       4.212154 
1 1 1 -11 -24 25 o 48.950  2.0945  327.492   27.324    325.575   39.052    329.331   38.245    48.795  3.0026  49.104  2.9210  -0.3084373     4.189015 
1 1 1 -11 -24 26 o 50.242  2.0744  345.104   27.779    360.828   39.631    329.918   38.947    51.385  2.8912  49.099  2.9756  2.286232       4.148869 
1 1 1 -11 -24 27 o 53.331  2.0977  389.926   29.815    375.715   42.548    403.637   41.792    52.340  3.0482  54.322  2.8826  -1.982750      4.195338 
1 1 1 -11 -24 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -24 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -24 30 o 21.805  3.0405  71.162    17.032    48.051    24.574    92.528    23.628    18.004  4.9445  25.605  3.5398  -7.601217      6.080967 
1 1 1 -11 -24 31 o 26.553  2.6415  100.128   18.247    103.893   26.592    96.778    25.083    27.014  3.7786  26.092  3.6922  0.9217625      5.283005 
1 1 1 -11 -24 32 o 36.514  2.3534  186.867   22.759    191.317   32.565    182.618   31.820    36.942  3.3268  36.085  3.3297  0.8568840      4.706863 
1 1 1 -11 -24 33 o 17.721  3.3857  47.311    16.811    60.053    23.916    34.866    23.636    20.018  4.5621  15.425  5.0039  4.593221       6.771412 
1 1 1 -11 -24 34 o 13.280  3.1890  17.801    16.188    -10.0207  22.945    45.371    22.841    9.2982  4.2249  17.261  4.7779  -7.963167      6.377973 
1 1 1 -11 -24 35 o 40.465  2.3812  233.448   25.387    262.134   35.870    204.658   35.934    43.137  3.1257  37.792  3.5932  5.345890       4.762448 
1 1 1 -11 -24 36 o 9.5206  3.0068  -4.9205   15.648    -5.3395   22.016    -4.4927   22.245    9.4545  4.2306  9.5867  4.2738  -0.1321716     6.013659 
1 1 1 -11 -24 37 o 25.726  3.1774  100.469   21.076    93.191    29.377    108.188   30.255    24.666  4.6162  26.787  4.3674  -2.120592      6.354798 
1 1 1 -11 -24 38 o 10.224  3.1726  -1.5821   17.011    7.4578    23.531    -11.4783  24.621    11.052  4.6570  9.3961  4.3099  1.655653       6.345278 
1 1 1 -11 -24 39 o 14.529  3.5663  29.389    18.527    49.275    25.852    8.3907    26.565    17.468  5.1648  11.590  4.9193  5.878486       7.132675 
1 1 1 -11 -24 40 f 16.588  3.8609  45.267    19.880    46.692    27.888    43.795    28.347    16.822  5.4332  16.353  5.4871  0.4683647      7.721884 
1 1 1 -11 -24 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -24 42 o 29.087  3.4252  138.702   25.031    97.022    34.655    184.170   36.195    23.552  5.5792  34.622  3.9751  -11.06992      6.850461 
1 1 1 -11 -24 43 o 22.308  3.9716  90.974    23.712    92.243    32.820    89.589    34.295    22.655  5.4706  21.962  5.7591  0.6930981      7.943203 
1 1 1 -11 -23 1  f 52.174  1.9780  369.758   27.526    357.724   39.044    381.650   38.814    51.314  2.8520  53.035  2.7417  -1.721420      3.956100 
1 1 1 -11 -23 2  o 61.616  2.0202  513.906   33.337    519.642   47.555    508.365   46.747    61.952  2.8658  61.280  2.8480  0.6718140      4.040308 
1 1 1 -11 -23 3  o 34.632  2.0508  164.077   18.582    197.476   26.685    132.638   25.890    38.144  2.6279  31.121  3.1493  7.022490       4.101669 
1 1 1 -11 -23 4  o 38.074  1.9780  196.823   19.985    215.101   28.754    179.743   27.797    39.807  2.7130  36.340  2.8793  3.467121       3.956095 
1 1 1 -11 -23 5  o 59.690  1.9989  481.733   31.953    479.582   45.557    483.817   44.828    59.553  2.8560  59.827  2.7974  -0.2740517     3.997815 
1 1 1 -11 -23 6  o 42.914  1.9926  250.742   22.683    227.566   32.272    273.371   31.889    40.910  2.9653  44.919  2.6624  -4.009506      3.985123 
1 1 1 -11 -23 7  o 39.094  1.9713  207.492   20.492    217.645   29.169    197.598   28.794    40.053  2.7353  38.135  2.8394  1.917515       3.942567 
1 1 1 -11 -23 8  o 66.398  2.0340  595.836   36.155    621.205   51.438    571.064   50.830    67.804  2.8323  64.992  2.9199  2.812103       4.067930 
1 1 1 -11 -23 9  o 63.578  2.0350  546.290   34.654    549.399   49.035    543.187   48.981    63.760  2.8712  63.396  2.8845  0.3641052      4.069952 
1 1 1 -11 -23 10 o 50.891  1.9836  350.850   26.933    349.318   37.852    352.421   38.331    50.781  2.7937  51.002  2.8169  -0.2210121     3.967301 
1 1 1 -11 -23 11 o 81.214  2.2103  892.838   48.072    912.750   67.946    872.880   68.022    82.131  3.0887  80.297  3.1627  1.833817       4.420692 
1 1 1 -11 -23 12 o 76.749  2.1482  796.974   44.149    810.628   62.116    783.034   62.762    77.424  2.9953  76.073  3.0802  1.350311       4.296430 
1 1 1 -11 -23 13 o 52.153  1.9749  367.872   27.466    350.547   38.071    386.679   39.665    50.868  2.8050  53.438  2.7808  -2.569775      3.949814 
1 1 1 -11 -23 14 o 37.261  2.0601  188.139   20.278    162.676   27.855    216.850   29.578    34.547  3.0413  39.975  2.7797  -5.428101      4.120227 
1 1 1 -11 -23 15 o 82.260  2.1960  916.059   48.374    919.804   67.798    912.175   69.041    82.441  3.0703  82.079  3.1404  0.3623428      4.391942 
1 1 1 -11 -23 16 o 26.201  2.3610  95.226    16.027    107.002   22.393    82.860    22.947    27.960  3.0389  24.442  3.6142  3.518642       4.722033 
1 1 1 -11 -23 17 o 23.131  2.5309  74.257    15.155    69.252    21.073    79.619    21.812    22.290  3.6564  23.972  3.5002  -1.681868      5.061728 
1 1 1 -11 -23 18 o 58.141  1.9771  456.749   30.782    448.677   42.952    465.273   44.138    57.616  2.7833  58.667  2.8089  -1.050957      3.954266 
1 1 1 -11 -23 19 o 61.435  2.0158  510.529   33.163    512.007   46.467    508.994   47.345    61.532  2.8194  61.337  2.8818  0.1945801      4.031591 
1 1 1 -11 -23 20 o 53.453  2.0007  387.000   28.527    356.341   39.873    419.151   40.832    51.226  2.9181  55.680  2.7379  -4.454041      4.001391 
1 1 1 -11 -23 21 o 19.775  2.8220  55.855    14.444    39.165    20.238    73.181    20.620    16.599  4.4577  22.951  3.4618  -6.352018      5.644041 
1 1 1 -11 -23 22 o 49.502  2.0075  332.907   26.500    325.933   37.481    339.878   37.472    48.974  2.8699  50.029  2.8077  -1.055294      4.014921 
1 1 1 -11 -23 23 o 57.350  2.0387  446.633   31.230    426.024   44.191    467.196   44.142    55.972  2.9582  58.729  2.8061  -2.757458      4.077393 
1 1 1 -11 -23 24 o 25.999  2.4130  93.709    16.345    101.996   23.254    85.615    22.981    27.192  3.2575  24.806  3.5608  2.385578       4.826040 
1 1 1 -11 -23 25 o 34.158  2.1508  160.621   19.354    145.656   27.844    174.609   26.920    32.549  3.2367  35.767  2.8331  -3.217617      4.301503 
1 1 1 -11 -23 26 o 26.770  2.5433  99.310    17.729    108.632   26.061    91.281    24.187    27.962  3.5604  25.577  3.6327  2.385397       5.086539 
1 1 1 -11 -23 27 o 14.128  3.1067  26.960    13.828    12.931    20.172    39.398    18.994    11.695  4.5248  16.561  4.2582  -4.866257      6.213341 
1 1 1 -11 -23 28 o 20.892  2.9720  62.629    16.022    61.095    23.427    63.977    21.960    20.596  4.3814  21.188  4.0166  -0.5918274     5.943903 
1 1 1 -11 -23 29 o 36.976  2.2028  188.538   21.586    182.285   30.907    194.492   30.162    36.342  3.2081  37.610  3.0196  -1.267826      4.405613 
1 1 1 -11 -23 30 o 25.269  4.6560  92.514    30.351    0.0000    0.0000    92.514    30.351    ?       ?       25.269  4.6560  ?              ?        
1 1 1 -11 -23 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -23 32 o 21.902  3.0756  71.376    17.361    49.882    24.729    92.264    24.378    18.307  4.9322  25.498  3.6757  -7.191133      6.151221 
1 1 1 -11 -23 33 o 26.609  2.7358  101.571   18.851    111.028   26.671    92.130    26.648    27.963  3.6478  25.256  4.0782  2.706778       5.471591 
1 1 1 -11 -23 34 o 17.507  3.4016  46.159    16.570    39.090    23.466    53.188    23.399    16.200  4.9508  18.813  4.6663  -2.613617      6.803236 
1 1 1 -11 -23 35 o 32.345  2.6578  150.228   22.586    154.385   31.864    146.031   32.018    32.840  3.6862  31.850  3.8299  0.9897747      5.315615 
1 1 1 -11 -23 36 o 28.473  2.8246  118.431   20.865    106.337   29.064    131.295   29.973    26.844  4.1781  30.102  3.8022  -3.257912      5.649163 
1 1 1 -11 -23 37 f 39.729  2.4687  226.179   25.926    247.053   37.082    206.217   36.262    41.632  3.3538  37.826  3.6235  3.806255       4.937385 
1 1 1 -11 -23 38 o 28.091  3.1473  121.390   21.971    80.180    30.741    164.425   31.414    22.451  5.2121  33.730  3.5293  -11.27896      6.294625 
1 1 1 -11 -23 39 o 10.227  3.1369  -1.0089   16.438    11.751    23.355    -13.5351  23.140    11.543  4.7316  8.9102  4.1198  2.632604       6.273833 
1 1 1 -11 -23 40 o 10.367  3.2363  -2.7682   17.946    8.3517    25.540    -13.6138  25.223    11.421  4.8343  9.3118  4.3040  2.109629       6.472604 
1 1 1 -11 -23 41 o 11.502  3.4500  8.8711    18.553    13.335    25.582    3.9177    26.948    11.913  4.9251  11.091  4.8326  0.8221035      6.900009 
1 1 1 -11 -23 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -23 43 o 20.168  3.9686  73.379    23.322    97.097    32.947    49.560    33.017    23.784  5.3066  16.553  5.9024  7.230974       7.937167 
1 1 1 -11 -22 1  o 42.972  1.9332  250.556   22.118    239.311   31.265    261.820   31.294    41.991  2.7958  43.954  2.6707  -1.963318      3.866438 
1 1 1 -11 -22 2  o 35.850  1.9314  174.600   18.398    179.455   25.946    169.691   26.092    36.363  2.6829  35.337  2.7790  1.025715       3.862743 
1 1 1 -11 -22 3  f 72.963  2.1239  719.770   41.500    737.726   59.055    702.251   58.332    73.866  2.9848  72.059  3.0222  1.806488       4.247712 
1 1 1 -11 -22 4  o 69.364  2.0652  650.040   38.365    652.589   54.713    647.574   53.810    69.494  2.9394  69.234  2.9017  0.2596436      4.130351 
1 1 1 -11 -22 5  o 13.465  2.2777  23.921    10.191    -4.0186   14.772    49.297    14.078    8.0316  3.5365  18.899  2.8714  -10.86699      4.555447 
1 1 1 -11 -22 6  o 26.354  2.2104  96.349    15.002    78.032    21.398    114.057   21.039    23.759  3.4643  28.949  2.7462  -5.190182      4.420769 
1 1 1 -11 -22 7  o 15.374  2.7102  32.963    11.154    39.479    16.495    27.472    15.141    16.733  3.7708  14.015  3.8939  2.718080       5.420454 
1 1 1 -11 -22 8  o 54.617  1.9740  402.942   28.818    414.394   40.862    391.609   40.649    55.431  2.7522  53.802  2.8307  1.629017       3.948031 
1 1 1 -11 -22 9  o 37.417  1.9682  189.759   19.554    176.362   27.321    203.828   27.999    36.045  2.8531  38.790  2.7119  -2.744579      3.936337 
1 1 1 -11 -22 10 o 37.978  1.9882  196.139   20.016    209.830   28.000    181.830   28.624    39.368  2.6712  36.589  2.9457  2.778484       3.976490 
1 1 1 -11 -22 11 o 123.763 2.7332  2078.81   90.593    2118.64   128.240   2039.13   127.995   124.961 3.8314  122.565 3.8988  2.395142       5.466354 
1 1 1 -11 -22 12 o 68.374  2.0497  631.100   37.519    644.531   52.608    617.197   53.523    69.125  2.8414  67.624  2.9550  1.501358       4.099420 
1 1 1 -11 -22 13 o 89.879  2.2615  1091.60   54.436    1068.84   76.503    1114.95   77.475    88.926  3.2119  90.831  3.1845  -1.904686      4.522946 
1 1 1 -11 -22 14 o 78.343  2.1421  828.754   44.944    825.642   62.983    831.983   64.155    78.198  3.0071  78.488  3.0517  -0.2901535     4.284297 
1 1 1 -11 -22 15 o 36.653  1.9909  181.985   19.246    154.233   26.556    212.686   27.932    33.670  2.9753  39.636  2.6462  -5.966003      3.981776 
1 1 1 -11 -22 16 o 29.843  2.1222  121.344   16.714    114.116   23.267    129.051   24.026    28.907  3.0511  30.778  2.9506  -1.870636      4.244433 
1 1 1 -11 -22 17 f 51.909  1.9440  364.151   26.918    351.998   37.371    377.254   38.806    51.008  2.7454  52.810  2.7530  -1.801773      3.887987 
1 1 1 -11 -22 18 o 34.529  2.0450  162.822   18.648    173.189   25.767    151.421   27.021    35.728  2.7129  33.331  3.0608  2.396278       4.090019 
1 1 1 -11 -22 19 o 19.712  2.7911  55.870    14.249    77.898    20.250    34.266    20.054    23.770  3.2669  15.654  4.5264  8.115794       5.582176 
1 1 1 -11 -22 20 o 128.941 2.8249  2266.76   97.500    2353.51   137.637   2179.37   138.137   131.466 3.9087  126.416 4.0796  5.050255       5.649877 
1 1 1 -11 -22 21 o 41.978  1.9958  239.913   22.179    210.543   31.260    269.679   31.471    39.338  2.9892  44.618  2.6452  -5.280224      3.991512 
1 1 1 -11 -22 22 o 45.946  1.9777  286.515   24.209    275.667   34.231    297.371   34.244    45.061  2.8508  46.831  2.7419  -1.770027      3.955397 
1 1 1 -11 -22 23 o 39.411  2.0100  211.773   20.989    191.544   29.754    231.809   29.612    37.492  2.9878  41.330  2.6896  -3.837753      4.020030 
1 1 1 -11 -22 24 o 50.166  1.9768  342.025   26.418    324.156   37.602    359.440   37.123    48.844  2.8870  51.487  2.7013  -2.643017      3.953658 
1 1 1 -11 -22 25 o 68.144  2.0956  630.773   38.165    586.572   54.219    674.182   53.730    65.741  3.0791  70.548  2.8434  -4.807556      4.191203 
1 1 1 -11 -22 26 o 36.957  2.0892  186.240   20.488    197.763   29.496    175.497   28.480    38.077  2.9142  35.838  2.9944  2.238964       4.178393 
1 1 1 -11 -22 27 f 48.609  2.0473  323.556   26.372    289.953   37.823    355.347   36.789    46.077  3.0825  51.141  2.6953  -5.063705      4.094630 
1 1 1 -11 -22 28 o 47.235  2.0825  303.765   26.183    320.199   38.184    289.180   35.973    48.439  2.9572  46.031  2.9329  2.407394       4.164987 
1 1 1 -11 -22 29 o 12.667  3.1932  19.546    13.688    17.553    19.400    21.523    19.316    12.319  4.5066  13.014  4.5251  -0.6946421     6.386355 
1 1 1 -11 -22 30 o 25.363  2.8717  97.403    17.593    51.123    25.306    140.694   24.476    18.718  4.9657  32.007  2.8860  -13.28876      5.743476 
1 1 1 -11 -22 31 o 20.701  3.0499  62.826    16.426    44.649    23.319    80.730    23.142    17.498  4.8211  23.904  3.7368  -6.406126      6.099744 
1 1 1 -11 -22 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -22 33 o 19.848  3.2005  59.723    17.685    90.309    24.668    27.384    25.366    25.203  3.7701  14.493  5.1729  10.70960       6.400970 
1 1 1 -11 -22 34 o 20.357  3.3115  61.625    17.760    51.724    24.853    71.956    25.388    18.583  4.9170  22.132  4.4372  -3.549635      6.623075 
1 1 1 -11 -22 35 o 12.545  3.3617  17.502    15.645    11.731    21.517    23.976    22.790    11.529  4.6080  13.562  4.8961  -2.033006      6.723465 
1 1 1 -11 -22 36 o 15.044  3.5195  32.589    16.886    23.018    24.095    41.827    23.672    13.469  5.0056  16.618  4.9489  -3.149451      7.038973 
1 1 1 -11 -22 37 o 9.0933  2.9189  -9.5974   15.478    -13.7345  21.553    -5.1921   22.241    8.6264  3.9842  9.5602  4.2669  -0.9337749     5.837816 
1 1 1 -11 -22 38 o 15.052  3.5389  31.707    18.013    51.403    25.619    12.451    25.332    18.080  5.0800  12.025  4.9283  6.055364       7.077760 
1 1 1 -11 -22 39 o 35.348  2.7147  182.943   25.282    178.618   35.714    187.288   35.795    34.888  3.8880  35.808  3.7898  -0.9196129     5.429416 
1 1 1 -11 -22 40 o 12.328  3.5164  15.468    17.945    10.712    24.761    20.730    26.043    11.614  4.8270  13.042  5.1147  -1.427790      7.032769 
1 1 1 -11 -22 41 o 28.984  3.2413  129.790   24.267    134.242   33.652    124.967   35.027    29.684  4.3628  28.283  4.7950  1.400524       6.482688 
1 1 1 -11 -22 42 o 12.694  3.5099  11.419    20.354    41.603    27.593    -24.6062  30.145    15.954  5.4133  9.4338  4.4691  6.520507       7.019718 
1 1 1 -11 -22 43 o 7.4798  3.6626  -39.4897  24.689    -39.4897  24.689    0.0000    0.0000    7.4798  3.6626  ?       ?       ?              ?        
1 1 1 -11 -22 44 o 12.580  3.6120  14.354    20.245    -6.8789   27.236    40.574    30.266    9.8947  4.5365  15.264  5.6221  -5.369591      7.224094 
1 1 1 -11 -21 1  f 22.497  2.1681  69.876    12.608    80.371    17.959    59.676    17.704    24.243  2.8182  20.751  3.2954  3.491999       4.336137 
1 1 1 -11 -21 2  o 75.234  2.1177  764.263   42.670    778.450   60.746    750.446   59.951    75.925  2.9871  74.543  3.0026  1.381386       4.235342 
1 1 1 -11 -21 3  o 29.354  2.0327  117.309   15.771    117.998   22.644    116.660   21.977    29.432  2.9106  29.275  2.8384  0.1568890      4.065462 
1 1 1 -11 -21 4  o 49.800  1.9342  335.244   25.698    341.117   36.367    329.388   36.318    50.241  2.7125  49.360  2.7581  0.8814087      3.868402 
1 1 1 -11 -21 5  o 103.143 2.4460  1438.19   67.554    1487.18   96.211    1390.55   94.875    104.885 3.4247  101.401 3.4932  3.483940       4.891935 
1 1 1 -11 -21 6  o 43.578  1.9153  256.707   22.243    260.477   31.646    253.025   31.271    43.896  2.7048  43.260  2.7125  0.6360855      3.830581 
1 1 1 -11 -21 7  o 47.992  1.9194  311.132   24.572    309.017   34.735    313.250   34.765    47.827  2.7227  48.157  2.7062  -0.3299522     3.838792 
1 1 1 -11 -21 8  o 126.304 2.7881  2160.54   94.287    2237.71   133.830   2084.48   132.859   128.563 3.8864  124.044 3.9988  4.518799       5.576222 
1 1 1 -11 -21 9  o 85.058  2.2349  976.400   50.862    1028.40   71.946    924.444   71.915    87.339  3.0755  82.776  3.2436  4.562721       4.469811 
1 1 1 -11 -21 10 o 25.103  2.4095  87.440    15.350    65.058    21.384    111.233   22.047    21.618  3.8334  28.589  2.9202  -6.971148      4.819003 
1 1 1 -11 -21 11 o 100.476 2.4075  1364.24   64.703    1441.76   91.314    1286.08   91.697    103.370 3.2980  97.582  3.5083  5.787964       4.815058 
1 1 1 -11 -21 12 o 87.523  2.2246  1032.75   52.148    1016.78   73.315    1049.11   74.190    86.837  3.1521  88.209  3.1401  -1.372192      4.449269 
1 1 1 -11 -21 13 o 76.203  2.1128  782.312   43.117    771.771   60.303    793.338   61.674    75.680  2.9748  76.727  3.0010  -1.046028      4.225604 
1 1 1 -11 -21 14 o 70.298  2.0373  665.567   38.350    660.261   53.533    671.161   54.966    70.013  2.8546  70.582  2.9074  -0.5680237     4.074570 
1 1 1 -11 -21 15 o 36.257  1.9821  178.184   19.074    180.142   26.409    176.048   27.580    36.478  2.7225  36.035  2.8815  0.4428444      3.964254 
1 1 1 -11 -21 16 o 44.160  1.9215  263.437   22.601    259.886   31.283    267.316   32.689    43.854  2.6760  44.466  2.7582  -0.6125031     3.843053 
1 1 1 -11 -21 17 o 72.919  2.0447  716.816   39.927    722.495   56.051    710.966   56.889    73.217  2.8581  72.620  2.9247  0.5973663      4.089343 
1 1 1 -11 -21 18 o 104.926 2.4412  1488.63   68.605    1467.83   96.557    1509.83   97.494    104.184 3.4601  105.669 3.4446  -1.484795      4.882420 
1 1 1 -11 -21 19 o 87.692  2.2312  1038.64   52.404    1023.63   73.892    1053.82   74.330    87.052  3.1691  88.332  3.1416  -1.280632      4.462399 
1 1 1 -11 -21 20 o 44.177  1.9250  264.194   22.652    252.763   31.986    275.696   32.083    43.205  2.7787  45.149  2.6649  -1.944191      3.850032 
1 1 1 -11 -21 21 o 23.834  2.4329  79.167    14.844    94.435    21.022    63.984    20.963    26.266  3.0446  21.403  3.7957  4.862789       4.865859 
1 1 1 -11 -21 22 o 16.633  2.8758  39.694    13.157    24.194    18.947    54.129    18.284    13.591  4.4837  19.676  3.6022  -6.085080      5.751516 
1 1 1 -11 -21 23 o 96.002  2.3528  1249.32   60.498    1259.35   85.776    1239.40   85.339    96.387  3.3225  95.617  3.3321  0.7701874      4.705523 
1 1 1 -11 -21 24 o 46.444  1.9818  292.702   24.524    287.955   35.084    297.237   34.295    46.063  2.8577  46.825  2.7465  -0.7625847     3.963523 
1 1 1 -11 -21 25 o 44.516  1.9593  268.372   23.210    289.650   33.636    249.031   32.068    46.212  2.7296  42.820  2.8116  3.391228       3.918635 
1 1 1 -11 -21 26 o 30.378  2.2155  126.948   17.683    119.583   25.707    133.564   24.363    29.489  3.3118  31.266  2.9439  -1.776688      4.431079 
1 1 1 -11 -21 27 o 42.592  2.0519  246.601   23.251    257.946   33.643    236.227   32.171    43.532  2.9019  41.651  2.9019  1.881161       4.103901 
1 1 1 -11 -21 28 o 82.557  2.2282  926.565   49.265    946.423   70.228    907.323   69.128    83.431  3.1426  81.683  3.1596  1.748238       4.456378 
1 1 1 -11 -21 29 o 85.070  2.2836  986.023   52.027    1006.30   74.025    966.227   73.138    85.940  3.2158  84.199  3.2430  1.740822       4.567112 
1 1 1 -11 -21 30 f 36.569  2.1721  183.362   21.043    197.213   30.102    170.125   29.427    37.952  2.9853  35.186  3.1560  2.765694       4.344198 
1 1 1 -11 -21 31 o 58.573  2.0991  468.838   32.820    470.673   46.862    467.071   45.981    58.677  2.9916  58.470  2.9455  0.2072144      4.198281 
1 1 1 -11 -21 32 o 38.157  2.2622  201.136   22.789    225.036   32.487    177.980   31.977    40.467  3.0190  35.847  3.3700  4.620121       4.524469 
1 1 1 -11 -21 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -21 34 o 13.687  4.9130  23.848    22.911    23.848    22.911    0.0000    0.0000    13.687  4.9130  ?       ?       ?              ?        
1 1 1 -11 -21 35 o 31.084  2.5972  136.679   21.172    145.956   30.286    127.812   29.608    32.170  3.5753  29.998  3.7681  2.171820       5.194341 
1 1 1 -11 -21 36 o 10.712  3.2270  2.5366    16.406    8.3064    23.098    -3.3379   23.307    11.351  4.6852  10.074  4.4386  1.277101       6.453917 
1 1 1 -11 -21 37 o 53.117  2.3122  396.463   32.724    392.182   46.696    400.594   45.873    52.797  3.3189  53.437  3.2201  -0.6399536     4.624301 
1 1 1 -11 -21 38 o 40.527  2.5067  234.986   26.874    251.345   38.019    218.651   37.993    42.044  3.4053  39.010  3.6795  3.033985       5.013445 
1 1 1 -11 -21 39 o 36.187  2.7469  192.780   25.540    235.490   36.239    150.633   36.000    40.607  3.3621  31.766  4.3449  8.840742       5.493795 
1 1 1 -11 -21 40 o 24.244  3.5260  92.166    22.153    75.467    30.662    110.400   32.041    21.646  5.3251  26.843  4.6233  -5.196602      7.052083 
1 1 1 -11 -21 41 o 13.092  3.6728  19.331    19.289    11.888    26.122    28.254    28.603    11.931  4.9583  14.252  5.4197  -2.320246      7.345625 
1 1 1 -11 -21 42 o 12.751  3.3247  9.9257    18.101    -22.5869  24.827    46.821    26.447    8.5625  4.0561  16.940  5.2690  -8.377084      6.649424 
1 1 1 -11 -21 43 o 15.699  5.8124  39.984    32.429    0.0000    0.0000    39.984    32.429    ?       ?       15.699  5.8124  ?              ?        
1 1 1 -11 -21 44 o 13.956  3.7777  28.606    20.468    41.571    28.389    14.572    29.537    15.633  5.4830  12.278  5.1980  3.355164       7.555305 
1 1 1 -11 -21 45 o 22.344  3.9600  91.872    24.160    111.448   33.825    71.482    34.521    25.445  5.1400  19.242  6.0255  6.202957       7.919947 
1 1 1 -11 -20 1  o 62.746  2.0045  530.550   33.686    540.315   47.789    520.908   47.489    63.322  2.8177  62.169  2.8519  1.152260       4.009048 
1 1 1 -11 -20 2  o 66.693  2.0292  600.271   36.166    554.995   51.247    645.190   51.045    64.168  2.9817  69.218  2.7532  -5.050667      4.058441 
1 1 1 -11 -20 3  o 39.906  3.6353  216.915   38.431    216.915   38.431    0.0000    0.0000    39.906  3.6353  ?       ?       ?              ?        
1 1 1 -11 -20 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -20 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -20 6  o 26.404  3.6919  95.885    25.397    0.0000    0.0000    95.885    25.397    ?       ?       26.404  3.6919  ?              ?        
1 1 1 -11 -20 7  o 62.348  2.5241  512.335   38.806    559.501   71.185    492.390   46.289    64.198  4.1622  60.499  2.8566  3.698685       5.048187 
1 1 1 -11 -20 8  o 147.039 3.0690  2925.00   120.825   3025.60   171.373   2825.56   170.375   149.574 4.2776  144.503 4.4019  5.070511       6.137928 
1 1 1 -11 -20 9  f 75.507  2.1156  767.214   42.782    775.956   60.309    758.357   60.700    75.944  2.9649  75.071  3.0187  0.8724823      4.231194 
1 1 1 -11 -20 10 o 114.733 2.5851  1775.87   79.362    1679.26   111.931   1873.54   112.540   111.574 3.7454  117.892 3.5640  -6.317490      5.170112 
1 1 1 -11 -20 11 o 138.960 2.9303  2608.95   109.057   2564.89   154.006   2653.26   154.453   137.775 4.1733  140.146 4.1146  -2.370575      5.860580 
1 1 1 -11 -20 12 o 75.589  2.0826  768.434   42.160    757.104   59.041    780.223   60.222    75.021  2.9382  76.156  2.9523  -1.135185      4.165213 
1 1 1 -11 -20 13 f 33.348  2.0180  150.530   17.812    138.009   24.813    163.844   25.586    31.896  2.9373  34.799  2.7679  -2.902628      4.035978 
1 1 1 -11 -20 14 o 111.380 2.5042  1672.32   74.704    1651.55   105.070   1693.57   106.234   110.679 3.5442  112.080 3.5387  -1.400322      5.008409 
1 1 1 -11 -20 15 o 160.426 4.0802  3495.49   164.959   3552.18   287.454   3467.65   201.427   160.907 6.6697  159.944 4.7018  0.9636078      8.160325 
1 1 1 -11 -20 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -20 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -20 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -20 19 o 38.605  2.8680  212.518   24.790    221.471   28.824    187.076   48.592    40.481  2.6734  36.729  5.0750  3.752548       5.736055 
1 1 1 -11 -20 20 o 11.683  2.9162  16.057    11.372    18.264    16.586    14.099    15.622    12.171  4.1953  11.195  4.0518  0.9759235      5.832464 
1 1 1 -11 -20 21 o 60.893  1.9479  499.741   31.757    486.230   45.100    513.027   44.725    60.070  2.8030  61.716  2.7056  -1.646027      3.895789 
1 1 1 -11 -20 22 o 105.559 2.4734  1507.81   69.932    1501.54   98.993    1514.06   98.806    105.337 3.5086  105.782 3.4872  -0.4447937     4.946842 
1 1 1 -11 -20 23 o 47.010  1.9470  298.998   24.401    300.564   34.973    297.512   34.062    47.125  2.7830  46.895  2.7235  0.2302322      3.893957 
1 1 1 -11 -20 24 o 28.109  2.3277  111.165   16.631    86.253    24.319    133.049   22.793    24.936  3.7578  31.283  2.7481  -6.347198      4.655454 
1 1 1 -11 -20 25 o 36.354  2.0507  179.568   19.763    182.128   28.959    177.337   27.039    36.582  2.9815  36.126  2.8166  0.4561005      4.101488 
1 1 1 -11 -20 26 o 43.936  2.0356  263.259   23.704    247.126   34.546    277.613   32.586    42.617  3.0465  45.255  2.7006  -2.637966      4.071140 
1 1 1 -11 -20 27 o 59.577  2.0358  481.545   32.385    457.934   46.082    504.585   45.521    58.074  2.9725  61.079  2.7825  -3.005516      4.071579 
1 1 1 -11 -20 28 o 56.421  2.0151  432.135   30.358    417.221   43.467    446.337   42.417    55.411  2.9392  57.430  2.7575  -2.018715      4.030171 
1 1 1 -11 -20 29 o 51.604  2.0699  362.592   28.467    353.662   40.795    371.067   39.743    50.962  3.0019  52.247  2.8507  -1.284992      4.139821 
1 1 1 -11 -20 30 o 35.028  2.1977  168.145   20.382    168.234   29.522    168.064   28.174    35.018  3.1823  35.038  3.0319  -0.2034760E-01 4.395360 
1 1 1 -11 -20 31 o 41.998  2.1521  241.400   23.999    259.931   34.204    223.432   33.681    43.622  2.9447  40.374  3.1393  3.248192       4.304181 
1 1 1 -11 -20 32 o 42.881  2.1654  251.857   24.683    267.253   35.430    237.337   34.408    44.175  3.0123  41.586  3.1115  2.588558       4.330796 
1 1 1 -11 -20 33 o 32.994  2.3711  150.875   20.653    156.671   29.385    145.217   29.034    33.642  3.3036  32.346  3.4023  1.296547       4.742293 
1 1 1 -11 -20 34 o 9.5363  4.2215  -5.3154   21.324    0.0000    0.0000    -5.3154   21.324    ?       ?       9.5363  4.2215  ?              ?        
1 1 1 -11 -20 35 o 49.823  4.4159  353.566   58.319    353.566   58.319    0.0000    0.0000    49.823  4.4159  ?       ?       ?              ?        
1 1 1 -11 -20 36 o 68.293  2.3278  647.191   42.576    642.649   60.520    651.641   59.906    68.034  3.3211  68.551  3.2627  -0.5166626     4.655606 
1 1 1 -11 -20 37 o 68.243  2.3327  649.587   42.640    648.193   60.243    650.986   60.361    68.170  3.2993  68.317  3.2987  -0.1472244     4.665497 
1 1 1 -11 -20 38 o 42.524  2.4565  256.461   27.712    245.202   39.150    267.767   39.232    41.529  3.5538  43.519  3.3925  -1.990097      4.913079 
1 1 1 -11 -20 39 o 25.876  3.3489  102.635   22.207    119.318   31.107    85.295    31.713    28.394  4.2183  23.357  5.2025  5.037310       6.697835 
1 1 1 -11 -20 40 o 29.322  3.0799  128.971   23.250    109.859   32.369    149.339   33.417    26.812  4.6775  31.833  4.0081  -5.021215      6.159835 
1 1 1 -11 -20 41 o 11.231  3.0147  1.0084    16.006    34.878    22.009    -37.0151  23.320    15.042  4.8234  7.4211  3.6178  7.620659       6.029356 
1 1 1 -11 -20 42 o 31.668  3.0235  151.604   24.986    151.374   35.647    151.827   35.031    31.605  4.3245  31.732  4.2268  -0.1272659     6.047047 
1 1 1 -11 -20 43 o 24.317  3.7175  98.825    23.796    69.198    34.114    126.903   33.209    19.982  5.9388  28.652  4.4734  -8.670815      7.435085 
1 1 1 -11 -20 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -20 45 o 12.017  3.5655  15.048    19.513    20.448    25.623    7.5934    30.108    12.467  5.0124  11.568  5.0722  0.8994179      7.131014 
1 1 1 -11 -19 1  o 107.011 3.1390  1538.61   83.495    1585.21   149.957   1517.67   100.517   107.955 5.1860  106.068 3.5381  1.887291       6.277981 
1 1 1 -11 -19 2  o 92.093  2.2860  1142.56   56.372    1118.31   80.089    1166.38   79.361    91.116  3.2816  93.070  3.1835  -1.953606      4.572065 
1 1 1 -11 -19 3  o 61.838  1.9739  514.097   32.686    528.734   46.403    499.684   46.048    62.714  2.7625  60.961  2.8201  1.752102       3.947721 
1 1 1 -11 -19 4  o 74.516  2.0790  746.454   41.482    773.663   59.143    720.109   58.196    75.855  2.9109  73.176  2.9691  2.678360       4.158058 
1 1 1 -11 -19 5  o 62.399  1.9645  523.277   32.829    512.888   46.399    533.691   46.455    61.777  2.8041  63.021  2.7520  -1.244411      3.928978 
1 1 1 -11 -19 6  o 76.476  2.1163  786.284   43.342    805.273   61.440    767.474   61.151    77.398  2.9637  75.554  3.0217  1.843964       4.232519 
1 1 1 -11 -19 7  o 135.398 2.8771  2471.89   104.325   2532.18   147.934   2412.25   147.143   137.049 4.0300  133.747 4.1074  3.302017       5.754242 
1 1 1 -11 -19 8  o 64.993  1.9973  567.383   34.766    555.713   48.795    579.414   49.545    64.313  2.8326  65.672  2.8167  -1.358307      3.994654 
1 1 1 -11 -19 9  f 12.097  2.9149  17.822    11.333    21.608    16.741    14.620    15.398    12.906  4.2125  11.288  4.0301  1.618382       5.829875 
1 1 1 -11 -19 10 o 83.651  2.1755  940.596   48.738    941.656   68.380    939.502   69.484    83.702  3.0501  83.601  3.1030  0.1010361      4.351051 
1 1 1 -11 -19 11 o 107.640 2.4531  1559.08   70.717    1574.08   99.577    1543.83   100.447   108.166 3.4370  107.113 3.5011  1.053360       4.906188 
1 1 1 -11 -19 12 o 61.272  1.9423  503.579   31.834    468.401   44.217    541.434   45.869    59.050  2.7957  63.493  2.6971  -4.443542      3.884601 
1 1 1 -11 -19 13 o 155.827 3.2025  3278.26   133.662   3251.52   188.418   3305.35   189.640   155.186 4.5329  156.467 4.5250  -1.281601      6.404931 
1 1 1 -11 -19 14 o 36.958  1.9565  184.266   19.211    174.478   26.661    194.837   27.705    35.930  2.7922  37.986  2.7414  -2.056309      3.913055 
1 1 1 -11 -19 15 o 114.164 2.5803  1754.96   78.876    1693.31   110.803   1818.30   112.308   112.124 3.6894  116.203 3.6083  -4.078888      5.160614 
1 1 1 -11 -19 16 o 138.681 2.9248  2594.96   108.642   2588.27   153.125   2601.73   154.167   138.503 4.1276  138.859 4.1450  -0.3554230     5.849650 
1 1 1 -11 -19 17 o 139.451 2.9089  2624.81   108.650   2640.59   153.303   2608.88   154.007   139.878 4.0918  139.024 4.1358  0.8538513      5.817881 
1 1 1 -11 -19 18 o 33.903  1.9841  155.836   17.792    141.099   25.081    170.764   25.243    32.259  2.9348  35.547  2.6708  -3.287544      3.968169 
1 1 1 -11 -19 19 o 58.551  1.9152  460.990   30.028    472.936   42.437    449.011   42.494    59.314  2.6711  57.788  2.7454  1.525871       3.830378 
1 1 1 -11 -19 20 o 124.880 5.3046  2121.94   177.434   0.0000    0.0000    2121.94   177.434   ?       ?       124.880 5.3046  ?              ?        
1 1 1 -11 -19 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -19 22 o 14.139  4.5266  26.554    19.390    26.554    19.390    0.0000    0.0000    14.139  4.5266  ?       ?       ?              ?        
1 1 1 -11 -19 23 o 85.673  2.2021  990.121   50.527    992.876   72.013    987.449   70.912    85.786  3.1341  85.559  3.0943  0.2268448      4.404193 
1 1 1 -11 -19 24 f 26.516  2.3314  98.424    15.750    77.105    22.777    117.962   21.804    23.580  3.7304  29.452  2.7975  -5.872606      4.662858 
1 1 1 -11 -19 25 o 17.693  2.9805  43.740    13.892    50.719    20.872    38.190    18.613    18.943  4.2216  16.442  4.2085  2.500830       5.961019 
1 1 1 -11 -19 26 o 41.675  2.0063  236.527   22.161    216.126   31.767    255.867   30.930    39.879  2.9959  43.471  2.6693  -3.591496      4.012599 
1 1 1 -11 -19 27 o 77.474  2.1696  812.473   45.012    809.527   64.251    815.312   63.079    77.327  3.1021  77.621  3.0340  -0.2939682     4.339146 
1 1 1 -11 -19 28 f 48.593  2.0361  320.621   26.373    318.323   37.710    322.821   36.897    48.412  2.9218  48.773  2.8366  -0.3614540     4.072228 
1 1 1 -11 -19 29 o 65.799  2.0610  586.614   36.305    581.104   52.015    591.848   50.695    65.484  2.9656  66.113  2.8628  -0.6290359     4.121908 
1 1 1 -11 -19 30 o 35.302  2.2006  170.588   20.565    181.237   29.212    160.124   28.957    36.424  3.0215  34.179  3.2002  2.244423       4.401233 
1 1 1 -11 -19 31 o 10.804  2.8617  0.4067    13.678    28.272    19.684    -25.6144  19.021    14.369  4.5566  7.2395  3.4633  7.129376       5.723353 
1 1 1 -11 -19 32 o 60.552  2.1395  499.454   34.632    514.672   49.502    484.865   48.470    61.499  3.0051  59.605  3.0462  1.893909       4.279044 
1 1 1 -11 -19 33 o 35.167  2.2942  170.254   21.354    177.127   30.805    163.897   29.627    35.855  3.2427  34.479  3.2463  1.376591       4.588449 
1 1 1 -11 -19 34 o 49.109  2.2070  330.956   28.862    344.514   41.664    318.447   40.021    50.078  3.1217  48.140  3.1206  1.938572       4.413976 
1 1 1 -11 -19 35 o 67.114  3.1996  619.251   57.518    0.0000    0.0000    619.251   57.518    ?       ?       67.114  3.1996  ?              ?        
1 1 1 -11 -19 36 o 66.101  3.3305  605.847   58.777    605.847   58.777    0.0000    0.0000    66.101  3.3305  ?       ?       ?              ?        
1 1 1 -11 -19 37 f 43.755  2.4493  268.928   28.219    310.882   40.360    228.803   39.470    47.257  3.2076  40.253  3.7023  7.003834       4.898546 
1 1 1 -11 -19 38 o 18.305  3.5625  51.035    18.018    50.867    25.551    51.202    25.411    18.273  5.0516  18.337  5.0247  -0.6428337E-01 7.125082 
1 1 1 -11 -19 39 o 14.064  3.4634  24.655    18.127    45.292    24.245    -1.5050   27.296    17.178  4.9797  10.950  4.8148  6.228668       6.926742 
1 1 1 -11 -19 40 o 38.901  2.6722  219.128   27.487    213.316   38.609    225.100   39.140    38.352  3.8089  39.450  3.7491  -1.098549      5.344487 
1 1 1 -11 -19 41 o 21.342  3.6966  72.729    20.945    71.213    28.908    74.404    30.389    21.151  5.1507  21.533  5.3037  -0.3825130     7.393206 
1 1 1 -11 -19 42 f 23.739  3.5971  90.098    22.185    97.806    30.821    81.810    31.959    25.054  4.7670  22.424  5.3882  2.630033       7.194216 
1 1 1 -11 -19 43 o 21.818  3.7764  78.134    21.895    80.307    30.605    75.857    31.337    22.220  5.2294  21.415  5.4497  0.8044319      7.552862 
1 1 1 -11 -19 44 o 25.234  3.6701  105.302   24.135    71.974    33.603    140.816   34.687    20.323  5.8542  30.145  4.4280  -9.821800      7.340236 
1 1 1 -11 -19 45 o 11.303  3.2259  -1.6297   18.833    36.157    25.496    -47.0087  27.940    14.834  5.1965  7.7717  3.8238  7.061984       6.451767 
1 1 1 -11 -19 46 o 14.153  3.9370  32.470    22.323    41.755    30.589    21.892    32.650    15.283  5.6478  13.024  5.4867  2.258918       7.874073 
1 1 1 -11 -18 1  o 94.288  2.3152  1196.03   58.468    1203.96   83.095    1188.25   82.284    94.597  3.2795  93.979  3.2689  0.6179962      4.630390 
1 1 1 -11 -18 2  o 27.752  2.0701  105.237   14.815    80.898    20.562    131.508   21.363    24.316  3.2377  31.189  2.5804  -6.873455      4.140160 
1 1 1 -11 -18 3  o 25.064  2.1110  85.548    13.810    97.141    19.909    74.798    19.171    26.745  2.8218  23.383  3.1404  3.362417       4.221902 
1 1 1 -11 -18 4  o 58.981  1.9511  467.765   30.700    509.229   43.860    427.935   42.987    61.587  2.6588  56.375  2.8562  5.212063       3.902155 
1 1 1 -11 -18 5  o 110.862 2.5131  1652.89   74.621    1656.55   105.973   1649.29   105.094   110.982 3.5649  110.742 3.5431  0.2406693      5.026128 
1 1 1 -11 -18 6  o 169.216 3.3758  3863.50   152.921   4024.96   216.923   3703.99   215.608   172.753 4.6880  165.679 4.8586  7.074188       6.751532 
1 1 1 -11 -18 7  f 50.759  1.9235  346.489   26.024    315.448   36.443    378.789   37.175    48.391  2.8239  53.126  2.6125  -4.735470      3.847031 
1 1 1 -11 -18 8  o 124.766 2.7242  2094.44   91.012    2154.11   128.826   2034.99   128.594   126.548 3.8006  122.985 3.9038  3.563431       5.448321 
1 1 1 -11 -18 9  f 32.573  2.0546  143.540   17.721    142.742   24.515    144.413   25.645    32.484  2.8463  32.662  2.9637  -0.1773148     4.109106 
1 1 1 -11 -18 10 o 94.637  2.2906  1203.08   58.060    1195.11   81.591    1211.26   82.637    94.320  3.2296  94.953  3.2492  -0.6332245     4.581207 
1 1 1 -11 -18 11 o 127.352 2.7294  2182.21   93.080    2226.33   131.161   2137.44   132.115   128.657 3.8061  126.047 3.9132  2.610069       5.458892 
1 1 1 -11 -18 12 o 119.042 2.6131  1905.61   83.271    1818.94   117.073   1994.36   118.466   116.295 3.7585  121.790 3.6316  -5.495735      5.226294 
1 1 1 -11 -18 13 o 128.375 2.7296  2217.68   93.837    2259.17   132.238   2175.59   133.177   129.593 3.8097  127.158 3.9102  2.434967       5.459246 
1 1 1 -11 -18 14 o 122.635 2.6470  2022.95   86.946    2013.01   122.323   2033.11   123.607   122.332 3.7332  122.938 3.7538  -0.6063309     5.294101 
1 1 1 -11 -18 15 o 99.156  2.3430  1321.59   62.219    1330.03   87.412    1312.93   88.581    99.480  3.2805  98.831  3.3462  0.6486664      4.686068 
1 1 1 -11 -18 16 o 28.334  2.0908  109.006   15.626    104.916   22.008    113.163   22.190    27.785  3.0050  28.882  2.9080  -1.096373      4.181643 
1 1 1 -11 -18 17 o 31.079  2.0460  130.868   16.835    132.464   23.815    129.274   23.801    31.272  2.8754  30.886  2.9114  0.3863754      4.091977 
1 1 1 -11 -18 18 o 74.085  2.0496  737.394   40.667    722.634   57.286    752.389   57.740    73.336  2.9164  74.834  2.8807  -1.497589      4.099201 
1 1 1 -11 -18 19 o 85.540  2.1526  983.636   49.316    997.781   70.018    969.711   69.473    86.151  3.0343  84.928  3.0540  1.222549       4.305132 
1 1 1 -11 -18 20 o 148.625 3.0888  2983.68   122.960   2976.39   174.156   2990.92   173.628   148.440 4.3802  148.809 4.3561  -0.3687439     6.177588 
1 1 1 -11 -18 21 o 89.019  2.2197  1066.52   52.919    1060.46   75.383    1072.40   74.304    88.766  3.1706  89.273  3.1075  -0.5066833     4.439488 
1 1 1 -11 -18 22 o 68.323  2.0223  627.920   36.997    628.656   53.002    627.220   51.666    68.358  2.8948  68.287  2.8247  0.7072449E-01  4.044579 
1 1 1 -11 -18 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -18 24 o 52.127  3.9116  369.688   54.216    369.688   54.216    0.0000    0.0000    52.127  3.9116  ?       ?       ?              ?        
1 1 1 -11 -18 25 o 46.270  1.9316  288.755   23.770    318.625   34.407    261.483   32.877    48.574  2.6547  43.966  2.8065  4.607632       3.863100 
1 1 1 -11 -18 26 o 74.215  2.1355  743.588   42.437    738.949   60.677    748.030   59.374    73.980  3.0621  74.450  2.9774  -0.4695969     4.271021 
1 1 1 -11 -18 27 o 97.363  2.4052  1284.02   62.716    1274.15   89.130    1293.70   88.265    96.982  3.4312  97.743  3.3714  -0.7607040     4.810354 
1 1 1 -11 -18 28 o 53.805  2.0308  392.891   29.114    375.591   41.684    409.367   40.680    52.622  2.9695  54.988  2.7709  -2.366116      4.061537 
1 1 1 -11 -18 29 o 9.6235  2.8497  -1.0214   13.099    -14.3574  18.922    11.248    18.150    8.1286  3.7468  11.118  4.2948  -2.989893      5.699495 
1 1 1 -11 -18 30 o 64.985  2.1001  572.258   36.548    571.762   52.143    572.737   51.241    64.950  2.9973  65.020  2.9423  -0.6938171E-01 4.200110 
1 1 1 -11 -18 31 o 19.530  3.0578  54.645    15.675    67.375    22.300    42.212    22.039    21.866  3.9532  17.194  4.6662  4.671566       6.115659 
1 1 1 -11 -18 32 o 41.965  2.2132  240.657   24.592    270.135   35.415    213.207   34.175    44.496  2.9888  39.434  3.2649  5.062313       4.426388 
1 1 1 -11 -18 33 o 67.476  2.2281  620.740   40.261    617.002   57.407    624.357   56.479    67.263  3.1864  67.690  3.1151  -0.4266586     4.456139 
1 1 1 -11 -18 34 o 36.736  2.3726  186.635   22.949    209.956   32.706    164.016   32.210    39.082  3.1511  34.389  3.5478  4.692936       4.745126 
1 1 1 -11 -18 35 o 28.215  2.7350  112.460   19.991    125.905   28.328    99.122    28.215    30.019  3.5946  26.411  4.1231  3.607817       5.469973 
1 1 1 -11 -18 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -18 37 o 32.674  2.6796  151.594   22.857    167.860   32.175    135.021   32.477    34.586  3.5223  30.762  4.0392  3.824501       5.359268 
1 1 1 -11 -18 38 o 17.865  3.6443  48.215    18.508    53.915    25.873    42.242    26.486    18.883  5.0265  16.846  5.2782  2.037119       7.288676 
1 1 1 -11 -18 39 o 9.8397  3.0208  -8.2458   15.794    -26.7589  21.508    13.418    23.267    7.6876  3.6790  11.992  4.7922  -4.304179      6.041523 
1 1 1 -11 -18 40 o 18.916  3.8671  56.472    20.815    49.149    29.192    64.046    29.689    17.703  5.5405  20.128  5.3964  -2.425095      7.734207 
1 1 1 -11 -18 41 o 29.939  3.0236  134.322   23.213    157.967   32.977    111.097   32.682    32.904  3.8123  26.973  4.6941  5.931061       6.047127 
1 1 1 -11 -18 42 o 22.149  3.5518  78.645    21.008    103.837   29.851    53.923    29.571    26.126  4.4236  18.172  5.5582  7.954468       7.103689 
1 1 1 -11 -18 43 f 28.147  3.4096  124.648   24.559    140.907   34.154    107.239   35.341    30.499  4.3001  25.794  5.2926  4.705009       6.819285 
1 1 1 -11 -18 44 o 11.528  3.0624  -22.3796  17.997    -78.4420  24.101    48.287    27.059    5.9560  3.0149  17.100  5.3313  -11.14404      6.124734 
1 1 1 -11 -18 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -18 46 o 21.089  4.1010  81.017    23.827    78.561    32.327    83.937    35.256    20.894  5.6435  21.284  5.9519  -0.3898277     8.202028 
1 1 1 -11 -17 1  o 52.677  1.8941  373.186   26.630    399.047   37.850    347.835   37.475    54.527  2.5916  50.826  2.7631  3.701149       3.788284 
1 1 1 -11 -17 2  o 72.199  2.0346  699.837   39.345    699.875   55.853    699.798   55.433    72.200  2.8881  72.198  2.8665  0.2632141E-02  4.069184 
1 1 1 -11 -17 3  o 121.819 2.6773  1995.45   87.308    2084.54   124.123   1908.20   122.830   124.519 3.7216  119.119 3.8498  5.399345       5.354524 
1 1 1 -11 -17 4  o 107.309 2.4489  1546.97   70.370    1593.37   99.978    1501.42   99.064    108.907 3.4274  105.711 3.4987  3.196114       4.897730 
1 1 1 -11 -17 5  o 71.160  2.0116  679.649   38.327    702.690   54.312    656.792   54.095    72.364  2.8021  69.957  2.8869  2.407417       4.023218 
1 1 1 -11 -17 6  o 138.017 2.9313  2562.12   108.320   2650.75   153.510   2474.23   152.868   140.404 4.0820  135.631 4.2079  4.772614       5.862523 
1 1 1 -11 -17 7  o 162.068 3.2557  3535.35   141.322   3581.32   200.066   3489.58   199.652   163.124 4.5790  161.012 4.6294  2.111710       6.511396 
1 1 1 -11 -17 8  o 249.488 4.7823  8425.94   319.487   8656.22   452.020   8196.06   451.626   252.930 6.6722  246.046 6.8529  6.883835       9.564524 
1 1 1 -11 -17 9  o 124.704 2.7142  2089.66   90.645    2041.30   127.716   2138.75   128.673   123.247 3.8688  126.162 3.8078  -2.914536      5.428357 
1 1 1 -11 -17 10 o 179.166 3.6043  4324.60   172.965   4284.68   244.100   4364.87   245.121   178.332 5.1103  179.999 5.0842  -1.666534      7.208638 
1 1 1 -11 -17 11 o 89.590  2.1918  1076.94   52.569    1030.52   73.653    1125.14   75.053    87.620  3.1383  91.559  3.0604  -3.939331      4.383515 
1 1 1 -11 -17 12 o 254.650 4.8438  8780.34   330.358   8634.53   466.577   8926.93   467.819   252.510 6.8985  256.790 6.8016  -4.279526      9.687679 
1 1 1 -11 -17 13 o 70.606  1.9927  668.309   37.645    625.497   52.453    713.783   54.059    68.274  2.8683  72.938  2.7671  -4.664284      3.985455 
1 1 1 -11 -17 14 o 87.182  2.1497  1019.96   50.191    996.265   70.354    1044.51   71.625    86.151  3.0489  88.213  3.0314  -2.062439      4.299394 
1 1 1 -11 -17 15 o 115.864 2.5684  1804.24   79.694    1828.54   112.252   1779.54   113.162   116.655 3.5925  115.073 3.6715  1.582100       5.136721 
1 1 1 -11 -17 16 o 118.454 2.5954  1886.67   82.310    1944.28   116.154   1828.56   116.657   120.279 3.6054  116.629 3.7343  3.649094       5.190791 
1 1 1 -11 -17 17 o 73.948  2.0227  734.215   40.049    756.651   56.659    711.814   56.616    75.080  2.8175  72.816  2.9028  2.263565       4.045302 
1 1 1 -11 -17 18 o 113.907 2.5330  1744.74   77.267    1706.35   109.287   1783.11   109.257   112.649 3.6220  115.165 3.5419  -2.515999      5.066014 
1 1 1 -11 -17 19 o 29.667  2.1312  118.993   16.653    131.332   24.331    108.120   22.841    31.131  2.9533  28.203  3.0733  2.927834       4.262310 
1 1 1 -11 -17 20 o 129.787 2.7717  2268.56   96.349    2259.82   136.730   2277.18   135.791   129.535 3.9408  130.039 3.8986  -0.5042877     5.543395 
1 1 1 -11 -17 21 o 106.596 2.4451  1528.73   69.806    1555.49   99.423    1502.72   98.034    107.517 3.4524  105.676 3.4635  1.841049       4.890268 
1 1 1 -11 -17 22 o 120.435 2.6443  1954.33   85.295    1969.44   121.348   1939.58   119.916   120.893 3.7475  119.976 3.7316  0.9170151      5.288516 
1 1 1 -11 -17 23 o 114.210 2.5700  1758.69   78.597    1732.92   111.909   1783.78   110.412   113.373 3.6852  115.046 3.5831  -1.672783      5.139989 
1 1 1 -11 -17 24 o 193.115 3.8713  5079.72   200.148   4917.04   283.684   5240.96   282.423   189.977 5.5750  196.253 5.3727  -6.276428      7.742533 
1 1 1 -11 -17 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -17 26 o 54.262  2.0215  396.039   29.225    441.566   42.529    355.304   40.229    57.261  2.7729  51.264  2.9421  5.997334       4.042900 
1 1 1 -11 -17 27 o 59.472  2.0235  476.522   32.215    499.032   46.237    455.284   44.910    60.839  2.8374  58.104  2.8857  2.734592       4.046947 
1 1 1 -11 -17 28 o 70.898  2.1227  679.167   40.297    669.000   57.446    689.016   56.543    70.367  3.0479  71.430  2.9554  -1.063713      4.245449 
1 1 1 -11 -17 29 o 41.318  2.0947  231.629   22.968    254.940   33.129    210.057   31.869    43.345  2.8698  39.291  3.0522  4.053707       4.189451 
1 1 1 -11 -17 30 o 53.723  2.1041  391.823   30.141    392.578   43.375    391.117   41.914    53.761  3.0245  53.685  2.9259  0.7630920E-01  4.208153 
1 1 1 -11 -17 31 o 21.049  2.9262  62.705    15.891    74.549    22.867    51.643    22.099    23.076  3.8342  19.021  4.4216  4.055134       5.852437 
1 1 1 -11 -17 32 o 78.802  2.2817  844.473   48.158    845.953   68.421    843.019   67.796    78.866  3.2390  78.738  3.2146  0.1278076      4.563425 
1 1 1 -11 -17 33 o 12.531  2.6419  11.378    12.999    44.842    18.439    -21.6821  18.327    17.733  3.9797  7.3286  3.4755  10.40488       5.283702 
1 1 1 -11 -17 34 o 13.660  3.3938  23.425    15.427    26.038    21.653    20.730    21.986    14.092  4.7953  13.228  4.8038  0.8634472      6.787561 
1 1 1 -11 -17 35 o 56.157  2.2200  432.412   33.250    445.326   47.163    419.650   46.884    57.010  3.1003  55.305  3.1783  1.704422       4.439975 
1 1 1 -11 -17 36 o 36.218  2.5294  182.756   24.198    190.867   34.329    174.745   34.114    37.053  3.5005  35.383  3.6521  1.670307       5.058805 
1 1 1 -11 -17 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -17 38 o 11.749  3.3413  10.513    16.197    4.7419    22.113    17.193    23.789    10.775  4.5261  12.723  4.9163  -1.947688      6.682522 
1 1 1 -11 -17 39 o 24.990  3.2342  93.071    20.719    111.395   29.425    75.051    29.180    27.730  4.0840  22.251  5.0160  5.479221       6.468321 
1 1 1 -11 -17 40 o 54.888  2.4733  427.908   36.045    463.058   50.762    392.163   51.190    57.322  3.3204  52.453  3.6666  4.869297       4.946636 
1 1 1 -11 -17 41 o 31.129  3.1154  148.164   24.149    186.554   33.530    106.789   34.809    36.056  3.5166  26.202  5.1435  9.853844       6.230729 
1 1 1 -11 -17 42 o 12.138  3.2974  6.3215    17.428    -20.5628  23.600    38.564    25.846    8.5051  4.0064  15.770  5.2384  -7.265244      6.594837 
1 1 1 -11 -17 43 o 22.873  3.7336  85.450    22.493    96.182    30.802    73.187    32.924    24.799  4.8107  20.946  5.7112  3.852613       7.467266 
1 1 1 -11 -17 44 o 13.554  3.2601  10.792    19.858    58.348    26.722    -47.8690  29.678    18.917  5.1399  8.1907  4.0118  10.72626       6.520205 
1 1 1 -11 -17 45 o 7.1361  3.3121  -10.3718  15.168    0.0000    0.0000    -10.3718  15.168    ?       ?       7.1361  3.3121  ?              ?        
1 1 1 -11 -17 46 o 11.415  3.2115  15.971    14.748    0.1076    28.223    21.929    17.297    10.710  4.7915  12.120  4.2774  -1.409647      6.423012 
1 1 1 -11 -17 47 o 22.041  3.5029  88.500    19.202    71.096    34.667    96.203    23.063    19.027  6.0485  25.055  3.5349  -6.028444      7.005702 
1 1 1 -11 -16 1  o 156.385 3.2425  3293.43   135.749   3183.27   192.434   3402.55   191.526   153.766 4.6723  159.005 4.4971  -5.238831      6.484918 
1 1 1 -11 -16 2  o 64.513  1.9456  558.501   33.608    542.423   47.593    574.494   47.466    63.585  2.7945  65.441  2.7079  -1.856274      3.891264 
1 1 1 -11 -16 3  o 94.559  2.2831  1200.07   57.823    1213.54   82.199    1186.88   81.356    95.084  3.2276  94.033  3.2301  1.050354       4.566272 
1 1 1 -11 -16 4  o 150.390 3.0806  3040.88   124.081   3094.57   176.021   2987.85   174.938   151.713 4.3316  149.067 4.3814  2.645599       6.161155 
1 1 1 -11 -16 5  o 117.444 2.5934  1852.22   81.575    1881.52   115.653   1823.22   115.078   118.370 3.6478  116.518 3.6873  1.851784       5.186763 
1 1 1 -11 -16 6  o 76.967  2.0768  794.719   42.815    794.152   60.472    795.290   60.627    76.940  2.9344  76.995  2.9398  -0.5487061E-01 4.153643 
1 1 1 -11 -16 7  f 94.780  2.2628  1205.45   57.437    1178.64   80.948    1232.63   81.512    93.717  3.2248  95.843  3.1752  -2.125160      4.525614 
1 1 1 -11 -16 8  o 180.949 3.5970  4407.92   174.285   4531.82   246.436   4283.95   246.516   183.507 5.0138  178.392 5.1592  5.114487       7.194093 
1 1 1 -11 -16 9  o 142.232 2.9291  2718.25   111.587   2712.75   157.359   2723.82   158.260   142.089 4.1347  142.376 4.1499  -0.2878418     5.858129 
1 1 1 -11 -16 10 o 258.938 4.9251  9063.85   341.584   9007.92   482.564   9120.01   483.582   258.133 6.9795  259.744 6.9508  -1.610962      9.850230 
1 1 1 -11 -16 11 o 88.040  2.1511  1039.44   50.685    982.076   70.883    1099.45   72.504    85.553  3.0932  90.527  2.9901  -4.973976      4.302215 
1 1 1 -11 -16 12 o 128.620 2.7276  2222.06   93.962    2224.48   132.314   2219.59   133.458   128.692 3.8385  128.547 3.8761  0.1451569      5.455115 
1 1 1 -11 -16 13 o 61.991  1.8898  515.028   31.365    494.532   43.755    536.692   44.984    60.723  2.6902  63.259  2.6549  -2.536629      3.779622 
1 1 1 -11 -16 14 o 58.929  1.8625  466.144   29.371    483.444   41.253    448.359   41.827    60.041  2.5652  57.817  2.7009  2.223957       3.724944 
1 1 1 -11 -16 15 o 84.563  2.1028  959.391   47.620    935.160   66.986    984.147   67.710    83.483  2.9957  85.644  2.9516  -2.161049      4.205508 
1 1 1 -11 -16 16 o 87.565  2.1717  1029.04   50.930    1007.67   71.843    1050.63   72.210    86.650  3.0955  88.480  3.0469  -1.830894      4.343450 
1 1 1 -11 -16 17 o 53.156  1.8661  379.510   26.516    390.901   37.644    368.291   37.358    53.983  2.6034  52.328  2.6743  1.654839       3.732243 
1 1 1 -11 -16 18 o 8.3912  2.5452  -6.1586   10.859    7.6093    16.175    -17.4555  14.652    10.178  4.0184  6.6039  3.1247  3.574518       5.090326 
1 1 1 -11 -16 19 o 47.961  1.8788  310.289   23.983    295.180   34.546    324.346   33.321    46.818  2.7671  49.104  2.5421  -2.286228      3.757587 
1 1 1 -11 -16 20 o 42.251  1.9565  241.388   21.933    229.859   31.950    251.665   30.164    41.275  2.9085  43.227  2.6176  -1.951298      3.912980 
1 1 1 -11 -16 21 o 102.950 2.3945  1424.76   66.022    1424.81   94.074    1424.70   92.679    102.949 3.4116  102.951 3.3610  -0.1541138E-02 4.789054 
1 1 1 -11 -16 22 o 73.620  2.0612  728.288   40.618    722.666   58.383    733.561   56.547    73.340  2.9720  73.900  2.8568  -0.5597916     4.122396 
1 1 1 -11 -16 23 o 25.083  2.4721  85.937    15.613    117.478   23.228    59.940    21.088    29.414  2.9898  20.753  3.9378  8.661236       4.944212 
1 1 1 -11 -16 24 o 174.849 3.5628  4142.82   166.835   4088.01   236.716   4196.91   235.173   173.680 5.0885  176.019 4.9882  -2.338577      7.125623 
1 1 1 -11 -16 25 o 58.184  2.0060  455.089   31.233    460.101   45.281    450.540   43.137    58.485  2.8906  57.883  2.7823  0.6015701      4.012087 
1 1 1 -11 -16 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -16 27 o 66.263  2.7287  594.010   44.313    591.629   53.069    599.492   80.537    66.256  2.9903  66.269  4.5651  -0.1284027E-01 5.457307 
1 1 1 -11 -16 28 o 52.947  2.0621  379.683   29.090    366.485   41.768    392.115   40.537    52.033  3.0098  53.861  2.8197  -1.828686      4.124250 
1 1 1 -11 -16 29 o 79.756  2.2513  860.468   48.073    844.605   68.583    875.791   67.404    79.019  3.2404  80.492  3.1264  -1.473198      4.502679 
1 1 1 -11 -16 30 o 28.733  2.4092  113.533   18.168    110.356   25.853    116.632   25.536    28.314  3.4823  29.152  3.3301  -0.8377800     4.818344 
1 1 1 -11 -16 31 o 86.725  2.3367  1020.93   54.275    1018.24   77.149    1023.55   76.371    86.604  3.3258  86.845  3.2832  -0.2405167     4.673361 
1 1 1 -11 -16 32 o 72.729  2.2270  718.014   43.381    727.578   61.721    708.677   60.984    73.208  3.1476  72.250  3.1513  0.9582977      4.454009 
1 1 1 -11 -16 33 o 68.777  2.2100  642.993   40.701    661.747   57.683    624.400   57.437    69.788  3.0859  67.765  3.1644  2.022926       4.419959 
1 1 1 -11 -16 34 o 38.662  2.3183  206.124   23.659    222.797   32.948    188.376   33.994    40.352  3.0715  36.972  3.4734  3.379478       4.636677 
1 1 1 -11 -16 35 f 33.444  2.4835  155.526   21.809    144.758   31.506    165.431   30.218    32.253  3.7149  34.636  3.2970  -2.383522      4.966971 
1 1 1 -11 -16 36 o 42.921  2.3209  254.222   26.410    275.599   37.532    233.257   37.168    44.767  3.1501  41.074  3.4093  3.693207       4.641803 
1 1 1 -11 -16 37 o 56.727  2.3243  444.821   35.068    483.927   49.847    406.500   49.344    59.275  3.1510  54.180  3.4178  5.095051       4.648649 
1 1 1 -11 -16 38 o 47.316  3.4304  311.978   43.180    311.978   43.180    0.0000    0.0000    47.316  3.4304  ?       ?       ?              ?        
1 1 1 -11 -16 39 o 33.622  2.7948  162.563   24.411    183.657   34.221    140.708   34.833    36.062  3.5906  31.182  4.2837  4.880106       5.589513 
1 1 1 -11 -16 40 o 37.813  2.6930  205.140   26.814    214.161   37.171    195.353   38.719    38.805  3.6180  36.820  3.9898  1.984745       5.385925 
1 1 1 -11 -16 41 o 22.972  3.4973  84.343    21.154    110.555   28.995    54.513    30.932    27.425  4.0707  18.519  5.6881  8.906431       6.994627 
1 1 1 -11 -16 42 o 24.434  3.5592  96.057    22.541    121.731   31.033    67.383    32.796    28.599  4.1742  20.269  5.7661  8.329704       7.118441 
1 1 1 -11 -16 43 o 10.451  3.2457  -0.3950   17.655    6.4165    23.190    -9.7852   27.228    10.862  4.6026  10.040  4.5775  0.8224802      6.491351 
1 1 1 -11 -16 44 f 14.941  3.3513  33.738    14.377    37.844    25.371    31.796    17.449    15.495  5.1910  14.388  4.2400  1.107234       6.702601 
1 1 1 -11 -16 45 o 16.605  3.4725  39.917    15.711    61.916    28.339    30.155    18.878    19.259  5.3183  13.950  4.4664  5.308819       6.945019 
1 1 1 -11 -16 46 o 23.035  5.8094  93.662    35.838    93.662    35.838    0.0000    0.0000    23.035  5.8094  ?       ?       ?              ?        
1 1 1 -11 -16 47 o 14.652  3.4402  37.578    15.952    24.644    30.176    42.593    18.792    13.178  5.3875  16.127  4.2795  -2.948603      6.880352 
1 1 1 -11 -15 1  o 56.354  1.8985  425.936   28.654    420.291   40.502    431.593   40.546    55.980  2.7012  56.729  2.6684  -0.7486877     3.796925 
1 1 1 -11 -15 2  o 25.272  2.0162  86.844    13.213    70.278    18.270    105.012   19.132    22.679  3.0878  27.864  2.5933  -5.184786      4.032320 
1 1 1 -11 -15 3  o 69.965  2.0067  656.575   37.600    672.447   53.299    640.851   53.051    70.808  2.8103  69.123  2.8654  1.685539       4.013476 
1 1 1 -11 -15 4  o 153.962 3.1703  3186.03   130.736   3203.39   185.318   3168.84   184.461   154.379 4.4817  153.544 4.4852  0.8351746      6.340545 
1 1 1 -11 -15 5  o 212.479 4.1200  6083.21   234.436   6220.94   331.997   5946.23   331.092   214.890 5.7680  210.067 5.8844  4.823441       8.239918 
1 1 1 -11 -15 6  o 288.701 5.4280  11278.72  419.714   11431.48  593.883   11126.29  593.249   290.673 7.6279  286.730 7.7246  3.943451       10.85609 
1 1 1 -11 -15 7  o 202.331 3.9400  5512.49   213.519   5462.12   301.816   5562.96   302.108   201.401 5.5949  203.261 5.5491  -1.859787      7.880031 
1 1 1 -11 -15 8  o 275.717 5.2071  10281.01  384.344   10666.02  543.663   9896.33   543.425   280.928 7.2251  270.507 7.5002  10.42111       10.41420 
1 1 1 -11 -15 9  f 165.630 3.2889  3688.05   145.905   3706.75   205.893   3669.19   206.793   166.055 4.6291  165.206 4.6733  0.8493347      6.577872 
1 1 1 -11 -15 10 o 89.890  2.1699  1083.69   52.239    1068.67   73.194    1099.29   74.579    89.255  3.0616  90.524  3.0758  -1.269257      4.339872 
1 1 1 -11 -15 11 o 161.833 3.2538  3520.79   141.033   3544.91   198.923   3496.41   199.984   162.394 4.5733  161.271 4.6297  1.122177       6.507576 
1 1 1 -11 -15 12 o 274.331 5.2324  10177.86  384.449   10038.49  543.076   10317.87  544.313   272.433 7.4424  276.229 7.3568  -3.795990      10.46480 
1 1 1 -11 -15 13 o 75.772  2.0073  769.816   40.732    749.211   57.111    791.146   58.108    74.740  2.8529  76.804  2.8247  -2.064293      4.014666 
1 1 1 -11 -15 14 o 150.283 3.0633  3035.19   123.306   3031.49   174.000   3038.91   174.763   150.192 4.3253  150.374 4.3390  -0.1821442     6.126555 
1 1 1 -11 -15 15 o 175.881 3.4897  4162.19   164.387   4213.75   232.400   4110.56   232.557   176.977 4.9027  174.786 4.9675  2.190948       6.979388 
1 1 1 -11 -15 16 o 101.026 2.3173  1369.76   62.704    1364.30   88.720    1375.20   88.632    100.825 3.2852  101.228 3.2689  -0.4030609     4.634500 
1 1 1 -11 -15 17 f 162.550 3.2636  3553.98   142.086   3604.23   201.274   3504.06   200.607   163.699 4.5904  161.400 4.6404  2.298386       6.527262 
1 1 1 -11 -15 18 o 27.733  2.0880  104.738   15.204    98.651    22.062    110.244   20.981    26.934  3.1157  28.533  2.7807  -1.598866      4.176070 
1 1 1 -11 -15 19 o 111.243 2.4757  1661.81   73.763    1679.15   104.891   1644.84   103.751   111.817 3.5022  110.669 3.5001  1.148125       4.951356 
1 1 1 -11 -15 20 o 165.160 3.3312  3672.93   147.361   3716.24   209.220   3630.30   207.588   166.128 4.7019  164.192 4.7202  1.935547       6.662440 
1 1 1 -11 -15 21 o 29.740  2.1646  120.255   16.946    115.860   24.603    124.221   23.375    29.199  3.1981  30.282  2.9180  -1.082237      4.329279 
1 1 1 -11 -15 22 o 202.595 4.0000  5550.17   217.055   5560.13   307.873   5540.33   306.060   202.771 5.6686  202.418 5.6450  0.3533325      7.999979 
1 1 1 -11 -15 23 o 107.874 2.4882  1564.68   71.883    1591.99   102.681   1538.42   100.666   108.797 3.5236  106.952 3.5140  1.845146       4.976332 
1 1 1 -11 -15 24 f 49.025  2.0158  323.546   26.314    331.272   38.486    316.763   36.060    49.569  2.9115  48.481  2.7887  1.087772       4.031566 
1 1 1 -11 -15 25 o 92.503  2.3144  1151.03   57.334    1176.69   81.988    1126.47   80.207    93.512  3.2734  91.495  3.2729  2.017128       4.628874 
1 1 1 -11 -15 26 o 145.034 3.0824  2845.41   119.708   2773.89   169.631   2916.36   168.956   143.197 4.4226  146.870 4.2949  -3.673325      6.164882 
1 1 1 -11 -15 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -15 28 o 171.377 4.4228  4021.00   189.885   3981.84   230.585   4103.48   334.698   170.900 5.0373  171.854 7.2712  -0.9537659     8.845608 
1 1 1 -11 -15 29 o 90.812  2.3739  1114.77   57.739    1123.26   82.158    1106.49   81.162    91.151  3.3651  90.472  3.3492  0.6792450      4.747782 
1 1 1 -11 -15 30 o 46.079  2.0955  288.596   25.643    263.916   36.356    313.029   36.174    44.079  3.0990  48.078  2.8214  -3.999004      4.190962 
1 1 1 -11 -15 31 o 73.469  2.2203  730.917   43.691    737.595   61.995    724.327   61.584    73.804  3.1361  73.135  3.1438  0.6688004      4.440554 
1 1 1 -11 -15 32 o 45.258  2.1642  280.777   25.728    333.008   36.536    229.406   36.234    49.548  2.7640  40.967  3.3310  8.580402       4.328412 
1 1 1 -11 -15 33 o 29.241  2.5887  120.888   19.052    154.965   26.922    86.706    26.964    33.668  3.0174  24.815  4.2071  8.853403       5.177346 
1 1 1 -11 -15 34 o 17.601  3.0772  43.654    15.318    21.977    21.222    67.229    22.132    13.375  4.7361  21.827  3.9300  -8.452364      6.154306 
1 1 1 -11 -15 35 o 31.995  2.4788  142.070   20.710    121.955   29.047    162.866   29.535    29.587  3.7495  34.404  3.2434  -4.817228      4.957652 
1 1 1 -11 -15 36 o 68.107  2.3109  635.169   42.139    651.911   59.399    618.206   59.791    69.036  3.2123  67.178  3.3229  1.857498       4.621743 
1 1 1 -11 -15 37 o 14.115  3.4588  26.157    15.926    26.214    21.785    26.093    23.341    14.049  4.8097  14.182  4.9718  -0.1328630     6.917539 
1 1 1 -11 -15 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -15 39 o 26.908  3.0863  105.476   21.401    109.860   29.437    100.562   31.167    27.632  4.1018  26.184  4.6125  1.448425       6.172582 
1 1 1 -11 -15 40 o 50.021  2.5190  354.733   33.335    386.071   46.487    321.563   47.826    52.479  3.3243  47.563  3.7854  4.916317       5.037939 
1 1 1 -11 -15 41 o 62.491  2.5304  556.677   42.035    583.188   58.215    527.797   60.760    64.234  3.3957  60.749  3.7525  3.484955       5.060825 
1 1 1 -11 -15 42 o 32.759  2.4321  152.019   20.354    162.147   33.542    146.116   25.608    33.366  3.8221  32.151  3.0087  1.215336       4.864187 
1 1 1 -11 -15 43 o 21.503  3.1324  73.741    16.361    62.036    28.893    79.266    19.851    19.572  5.3559  23.434  3.2501  -3.862757      6.264828 
1 1 1 -11 -15 44 o 16.502  3.2982  35.762    14.778    67.278    27.090    22.410    17.633    20.510  4.9809  12.494  4.3246  8.015742       6.596370 
1 1 1 -11 -15 45 o 24.072  3.3224  95.219    19.180    79.598    33.763    102.662   23.305    21.631  5.7344  26.513  3.3569  -4.882336      6.644737 
1 1 1 -11 -15 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -15 47 o 8.7429  2.8188  -4.0601   12.722    -2.6775   25.442    -4.5211   14.690    9.9486  4.4916  7.5372  3.4070  2.411391       5.637613 
1 1 1 -11 -14 1  o 84.996  2.1838  969.794   49.676    929.464   70.479    1009.61   70.028    83.235  3.1613  86.756  3.0136  -3.521370      4.367527 
1 1 1 -11 -14 2  o 141.676 2.9833  2697.15   113.175   2629.98   160.436   2763.68   159.673   139.914 4.2811  143.439 4.1560  -3.525360      5.966567 
1 1 1 -11 -14 3  o 401.423 7.5576  22003.13  812.499   22405.77  1150.02   21601.84  1148.08   405.155 10.597  397.691 10.778  7.463837       15.11511 
1 1 1 -11 -14 4  o 144.689 2.9833  2812.14   115.609   2854.87   163.885   2769.81   163.111   145.786 4.1970  143.593 4.2409  2.192688       5.966563 
1 1 1 -11 -14 5  o 226.673 4.3487  6925.65   263.988   7072.62   373.700   6779.25   372.973   229.088 6.0902  224.258 6.2093  4.829117       8.697442 
1 1 1 -11 -14 6  o 205.492 3.9812  5685.45   219.126   5687.23   309.919   5683.67   309.861   205.524 5.6299  205.459 5.6306  0.6451416E-01  7.962320 
1 1 1 -11 -14 7  o 146.946 2.9961  2901.36   117.885   2983.96   166.527   2818.39   166.903   149.049 4.1712  144.842 4.3021  4.207520       5.992267 
1 1 1 -11 -14 8  o 73.667  1.9896  727.382   39.248    707.908   54.823    747.856   56.213    72.655  2.8171  74.678  2.8103  -2.022102      3.979219 
1 1 1 -11 -14 9  o 102.133 2.3052  1399.70   63.048    1412.20   88.557    1386.85   89.783    102.598 3.2225  101.669 3.2970  0.9291229      4.610310 
1 1 1 -11 -14 10 o 72.860  1.9643  711.675   38.327    702.057   53.533    721.790   54.897    72.356  2.7622  73.365  2.7937  -1.008766      3.928668 
1 1 1 -11 -14 11 o 108.826 2.3846  1589.15   69.504    1587.31   97.754    1591.02   98.840    108.764 3.3555  108.888 3.3889  -0.1246872     4.769134 
1 1 1 -11 -14 12 o 40.384  1.7804  219.898   19.125    230.484   26.727    208.790   27.379    41.393  2.4212  39.375  2.6109  2.018436       3.560734 
1 1 1 -11 -14 13 o 92.210  2.1637  1140.80   53.430    1157.11   75.185    1124.16   75.943    92.878  3.0223  91.542  3.0973  1.335663       4.327487 
1 1 1 -11 -14 14 o 115.789 2.5373  1799.60   78.691    1786.55   111.104   1812.74   111.468   115.368 3.5955  116.211 3.5811  -0.8438873     5.074593 
1 1 1 -11 -14 15 o 118.317 2.5840  1879.27   81.890    1886.35   115.863   1872.21   115.755   118.540 3.6492  118.094 3.6595  0.4456406      5.168006 
1 1 1 -11 -14 16 o 133.179 2.8280  2382.66   100.863   2340.91   142.991   2424.00   142.295   132.013 4.0439  134.344 3.9544  -2.331085      5.656020 
1 1 1 -11 -14 17 o 173.671 3.4551  4057.35   160.711   4124.74   227.833   3990.61   226.731   175.111 4.8575  172.231 4.9149  2.879501       6.910226 
1 1 1 -11 -14 18 o 169.701 3.4286  3874.55   155.840   3856.33   221.080   3892.56   219.708   169.301 4.8753  170.102 4.8222  -0.8018646     6.857289 
1 1 1 -11 -14 19 o 83.300  2.1086  930.411   47.029    965.282   67.378    897.282   65.672    84.822  2.9656  81.778  2.9982  3.043861       4.217104 
1 1 1 -11 -14 20 o 169.196 3.3740  3852.55   152.899   3893.87   217.197   3811.96   215.280   170.096 4.7673  168.296 4.7757  1.799973       6.747928 
1 1 1 -11 -14 21 o 173.778 3.4744  4067.00   161.715   4098.32   229.703   4036.23   227.710   174.441 4.9162  173.115 4.9109  1.325455       6.948777 
1 1 1 -11 -14 22 f 92.369  2.2800  1146.30   56.375    1122.74   80.570    1168.90   78.910    91.433  3.2899  93.304  3.1575  -1.870682      4.559933 
1 1 1 -11 -14 23 o 53.742  1.9926  389.578   28.516    366.632   41.245    410.591   39.470    52.172  2.9638  55.313  2.6641  -3.141178      3.985134 
1 1 1 -11 -14 24 o 140.190 2.9997  2648.30   112.618   2605.96   159.785   2690.10   158.753   139.067 4.2897  141.313 4.1942  -2.246246      5.999397 
1 1 1 -11 -14 25 o 120.878 2.7438  1968.64   88.814    1934.04   126.249   2002.53   124.963   119.816 3.9339  121.939 3.8261  -2.122528      5.487640 
1 1 1 -11 -14 26 f 37.211  2.1267  187.207   21.004    195.131   30.228    179.810   29.207    37.978  2.9959  36.444  3.0192  1.534054       4.253332 
1 1 1 -11 -14 27 o 87.789  2.2717  1037.51   53.414    1054.29   76.098    1021.22   74.990    88.488  3.2107  87.089  3.2148  1.399330       4.543497 
1 1 1 -11 -14 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -14 29 o 127.641 2.8940  2208.86   98.936    2237.73   139.921   2179.99   139.912   128.485 4.0658  126.796 4.1196  1.688683       5.788074 
1 1 1 -11 -14 30 o 58.693  2.0825  465.974   32.610    499.676   46.198    432.505   46.037    60.869  2.8336  56.518  3.0524  4.350677       4.164952 
1 1 1 -11 -14 31 o 8.2480  2.5821  -5.5556   11.382    -1.2903   15.607    -10.4021  16.636    8.6337  3.7197  7.8623  3.5822  0.7713943      5.164139 
1 1 1 -11 -14 32 o 44.765  2.1822  274.060   25.709    322.089   36.606    227.314   36.115    48.732  2.8165  40.799  3.3339  7.933151       4.364365 
1 1 1 -11 -14 33 o 63.745  2.2083  551.390   37.703    557.417   53.275    545.342   53.366    64.100  3.1030  63.391  3.1430  0.7086105      4.416673 
1 1 1 -11 -14 34 o 46.034  2.2145  289.329   27.133    296.735   38.319    281.881   38.426    46.641  3.0847  45.428  3.1780  1.212849       4.428938 
1 1 1 -11 -14 35 o 72.242  2.3006  711.136   44.506    693.497   62.120    729.737   63.794    71.323  3.2517  73.162  3.2554  -1.838371      4.601251 
1 1 1 -11 -14 36 o 53.073  2.2733  387.157   32.066    410.659   44.715    362.277   46.007    54.798  3.0587  51.347  3.3638  3.451614       4.546520 
1 1 1 -11 -14 37 o 87.993  2.5201  1068.02   59.309    1105.04   82.723    1028.86   85.076    89.644  3.4452  86.342  3.6787  3.302612       5.040106 
1 1 1 -11 -14 38 o 26.885  4.3344  103.764   30.151    0.0000    0.0000    103.764   30.151    ?       ?       26.885  4.3344  ?              ?        
1 1 1 -11 -14 39 o 17.570  3.6778  46.170    18.626    50.978    25.003    40.176    27.919    18.485  4.9507  16.656  5.4402  1.828552       7.355665 
1 1 1 -11 -14 40 o 33.621  3.3617  175.364   27.204    203.503   34.851    131.481   43.522    38.014  3.4607  29.228  5.7642  8.786566       6.723322 
1 1 1 -11 -14 41 o 11.834  2.9595  17.789    12.908    -3.5661   22.625    28.095    15.717    9.8439  4.3535  13.824  4.0101  -3.980083      5.918928 
1 1 1 -11 -14 42 o 42.037  2.3092  244.764   25.324    282.151   40.779    221.294   32.309    44.464  3.4511  39.610  3.0692  4.853645       4.618449 
1 1 1 -11 -14 43 o 11.433  3.1861  13.126    13.257    18.529    24.695    10.938    15.713    12.658  4.9753  10.209  3.9814  2.448690       6.372208 
1 1 1 -11 -14 44 o 8.6043  2.7247  -4.2417   12.799    -25.6007  24.579    3.7049    14.992    8.3482  3.9779  8.8603  3.7245  -0.5121136     5.449389 
1 1 1 -11 -14 45 o 16.605  3.5206  42.504    16.149    51.259    28.176    38.221    19.708    17.600  5.4325  15.609  4.4796  1.991170       7.041226 
1 1 1 -11 -14 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -14 47 o 27.584  3.0313  111.476   20.864    158.528   35.863    87.405    25.651    31.661  4.3434  23.506  4.2296  8.155230       6.062578 
1 1 1 -11 -13 1  o 197.365 5.4854  5268.77   289.926   5129.07   407.292   5412.26   412.797   194.700 7.8100  200.030 7.7046  -5.330093      10.97077 
1 1 1 -11 -13 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -13 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -13 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -13 5  o 221.417 6.0863  6644.61   360.570   7054.44   513.748   6246.75   506.182   228.207 8.4049  214.628 8.8051  13.57962       12.17255 
1 1 1 -11 -13 6  o 97.231  2.8290  1263.41   68.940    1286.27   121.688   1252.60   83.661    97.833  4.6438  96.630  3.2324  1.202530       5.658051 
1 1 1 -11 -13 7  o 153.093 3.1146  3149.06   127.698   3205.63   180.308   3092.14   180.878   154.478 4.3577  151.709 4.4513  2.769119       6.229260 
1 1 1 -11 -13 8  o 151.468 3.0757  3081.78   124.776   3036.00   175.925   3128.12   177.001   150.334 4.3690  152.602 4.3304  -2.267853      6.151453 
1 1 1 -11 -13 9  o 111.655 3.0238  1673.98   85.138    1676.13   147.884   1672.92   104.124   111.653 4.9449  111.657 3.4816  -0.3608704E-02 6.047648 
1 1 1 -11 -13 10 o 178.508 7.0093  4301.54   335.138   0.0000    0.0000    4301.54   335.138   ?       ?       178.508 7.0093  ?              ?        
1 1 1 -11 -13 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -13 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -13 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -13 14 o 219.452 4.2673  6490.04   250.814   6397.42   354.587   6582.78   354.821   217.875 6.0761  221.028 5.9934  -3.152649      8.534636 
1 1 1 -11 -13 15 o 142.907 2.9538  2743.33   113.064   2749.48   160.261   2737.23   159.535   143.066 4.1822  142.748 4.1725  0.3179474      5.907640 
1 1 1 -11 -13 16 o 111.140 2.4799  1657.66   73.818    1680.82   104.959   1634.98   103.838   111.908 3.5016  110.371 3.5125  1.537354       4.959722 
1 1 1 -11 -13 17 o 89.944  2.1829  1086.11   52.548    1052.00   74.949    1119.09   73.696    88.550  3.1600  91.337  3.0124  -2.787323      4.365761 
1 1 1 -11 -13 18 o 106.414 2.4108  1519.24   68.701    1554.93   98.211    1485.04   96.138    107.637 3.4065  105.190 3.4121  2.447105       4.821516 
1 1 1 -11 -13 19 o 14.840  2.5347  30.539    12.714    -8.3234   19.591    58.816    16.711    8.9719  4.0045  20.709  3.1087  -11.73712      5.069481 
1 1 1 -11 -13 20 o 44.494  1.9219  265.970   22.730    273.356   33.620    259.751   30.848    45.057  2.7996  43.931  2.6337  1.125854       3.843716 
1 1 1 -11 -13 21 o 117.093 2.6076  1841.15   81.775    1863.87   116.691   1819.24   114.632   117.802 3.6983  116.385 3.6772  1.417038       5.215271 
1 1 1 -11 -13 22 o 66.299  2.0042  589.687   35.562    591.505   51.367    588.012   49.284    66.395  2.8884  66.203  2.7793  0.1916656      4.008397 
1 1 1 -11 -13 23 o 63.379  2.0102  538.645   34.112    558.112   49.005    520.345   47.513    64.489  2.8370  62.269  2.8488  2.220745       4.020477 
1 1 1 -11 -13 24 o 43.235  2.0628  254.033   23.550    224.568   33.996    281.219   32.655    40.772  3.1371  45.699  2.6795  -4.926975      4.125676 
1 1 1 -11 -13 25 o 123.576 2.7837  2055.68   92.136    2074.56   130.917   2037.14   129.691   124.139 3.9373  123.014 3.9361  1.124321       5.567349 
1 1 1 -11 -13 26 o 49.080  2.0851  325.010   27.270    317.111   38.843    332.686   38.293    48.483  3.0060  49.677  2.8904  -1.194027      4.170173 
1 1 1 -11 -13 27 o 139.949 3.0403  2645.36   113.956   2685.46   161.210   2605.32   161.105   141.018 4.2680  138.881 4.3309  2.137024       6.080537 
1 1 1 -11 -13 28 o 71.074  2.1391  680.143   40.690    713.510   57.671    647.071   57.417    72.818  2.9569  69.330  3.0919  3.488441       4.278213 
1 1 1 -11 -13 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -13 30 o 44.974  2.0958  273.909   25.105    274.355   35.496    273.461   35.512    45.011  2.9607  44.936  2.9672  0.7484436E-01  4.191643 
1 1 1 -11 -13 31 o 52.058  2.1113  367.341   29.299    379.245   41.281    355.259   41.591    52.924  2.9235  51.193  3.0469  1.730618       4.222619 
1 1 1 -11 -13 32 o 37.080  2.2110  187.476   21.744    190.649   30.477    184.185   31.034    37.414  3.0682  36.746  3.1845  0.6680183      4.422085 
1 1 1 -11 -13 33 o 15.652  3.2037  34.351    14.872    46.720    20.326    20.099    21.818    18.117  4.2602  13.187  4.7859  4.930179       6.407368 
1 1 1 -11 -13 34 o 80.175  2.3777  875.183   51.024    885.675   71.108    864.047   73.257    80.698  3.2898  79.652  3.4337  1.045815       4.755326 
1 1 1 -11 -13 35 o 7.9583  2.5467  -9.2193   11.568    -12.4047  15.407    -5.1025   17.515    7.2596  3.3584  8.6569  3.8294  -1.397338      5.093425 
1 1 1 -11 -13 36 o 35.846  2.4261  177.355   22.983    178.729   31.855    175.864   33.192    36.019  3.3398  35.672  3.5197  0.3470383      4.852112 
1 1 1 -11 -13 37 o 23.032  3.1162  76.050    18.503    73.593    25.446    78.806    26.955    22.646  4.3532  23.419  4.4601  -0.7727623     6.232365 
1 1 1 -11 -13 38 o 61.181  2.3926  518.769   38.902    543.848   53.660    490.987   56.479    62.848  3.1982  59.513  3.5594  3.334595       4.785194 
1 1 1 -11 -13 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -13 40 o 36.990  2.3578  192.473   22.328    188.600   36.214    194.848   28.361    36.466  3.7618  37.515  2.8436  -1.049149      4.715590 
1 1 1 -11 -13 41 o 13.721  3.2920  23.612    13.698    36.841    24.486    17.586    16.526    15.757  5.0912  11.685  4.1749  4.072318       6.584097 
1 1 1 -11 -13 42 o 18.754  3.2133  55.289    15.445    46.965    26.967    59.353    18.842    17.348  5.3082  20.160  3.6226  -2.812067      6.426524 
1 1 1 -11 -13 43 o 35.944  2.4823  187.599   22.567    180.552   37.074    191.747   28.443    35.003  4.0278  36.885  2.9024  -1.882107      4.964626 
1 1 1 -11 -13 44 o 23.678  3.0404  80.210    17.995    107.870   30.543    65.503    22.271    26.586  4.4463  20.771  4.1483  5.814377       6.080892 
1 1 1 -11 -13 45 o 15.349  3.4415  30.665    15.850    59.796    27.743    16.550    19.312    19.101  5.2570  11.597  4.4430  7.503323       6.883045 
1 1 1 -11 -13 46 o 29.025  3.5377  124.597   26.934    0.0000    0.0000    124.597   26.934    ?       ?       29.025  3.5377  ?              ?        
1 1 1 -11 -13 47 o 10.208  3.0975  6.2120    14.962    -7.5904   27.518    12.005    17.827    9.9597  4.5640  10.457  4.1891  -0.4970350     6.195023 
1 1 1 -11 -12 1  o 103.022 2.3760  1424.31   65.547    1396.49   93.026    1451.73   92.372    102.020 3.4043  104.023 3.3153  -2.003220      4.751904 
1 1 1 -11 -12 2  o 124.739 2.6924  2089.79   89.893    2006.27   127.401   2172.60   126.857   122.250 3.8908  127.229 3.7225  -4.979431      5.384753 
1 1 1 -11 -12 3  o 90.878  2.2138  1107.83   53.870    1143.16   76.382    1072.86   75.988    92.322  3.0889  89.434  3.1721  2.887482       4.427589 
1 1 1 -11 -12 4  o 66.896  1.8957  599.985   33.966    601.065   47.875    598.890   48.196    66.957  2.6695  66.835  2.6923  0.1218948      3.791385 
1 1 1 -11 -12 5  o 128.780 2.7113  2226.04   93.520    2249.22   132.189   2202.83   132.324   129.453 3.8124  128.107 3.8563  1.345169       5.422699 
1 1 1 -11 -12 6  o 67.004  1.8926  601.588   33.947    573.441   47.467    631.056   48.568    65.400  2.7097  68.608  2.6429  -3.208618      3.785201 
1 1 1 -11 -12 7  o 79.234  2.0169  841.450   42.792    813.879   59.892    870.205   61.164    77.908  2.8701  80.560  2.8345  -2.652016      4.033852 
1 1 1 -11 -12 8  o 173.223 3.4698  4033.05   160.959   3926.98   226.968   4140.37   228.298   170.925 4.9576  175.520 4.8561  -4.595413      6.939689 
1 1 1 -11 -12 9  o 168.029 3.3175  3793.94   149.258   3670.33   210.457   3919.03   211.715   165.268 4.7543  170.790 4.6281  -5.522659      6.634931 
1 1 1 -11 -12 10 o 278.049 5.2928  10441.69  394.175   10359.03  556.905   10524.68  557.993   276.939 7.5077  279.159 7.4626  -2.219604      10.58563 
1 1 1 -11 -12 11 o 195.621 3.8105  5147.77   199.659   5119.24   281.943   5176.46   282.779   195.077 5.3959  196.166 5.3819  -1.089462      7.621075 
1 1 1 -11 -12 12 o 206.338 4.0046  5730.44   221.321   5708.02   312.757   5752.93   313.233   205.933 5.6701  206.744 5.6565  -0.8110352     8.009126 
1 1 1 -11 -12 13 o 31.963  1.7715  137.972   15.011    127.780   21.207    148.207   21.252    30.763  2.5980  33.164  2.4089  -2.400766      3.542953 
1 1 1 -11 -12 14 o 19.757  3.0580  51.127    15.442    71.788    25.552    39.239    19.382    22.740  4.3537  16.774  4.2953  5.965460       6.115911 
1 1 1 -11 -12 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -12 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -12 17 o 88.539  2.1878  1053.11   51.809    1007.37   74.128    1096.79   72.440    86.652  3.1939  90.426  2.9909  -3.774254      4.375625 
1 1 1 -11 -12 18 o 92.819  2.2479  1156.01   55.864    1151.81   80.047    1159.99   78.000    92.653  3.2255  92.986  3.1318  -0.3331604     4.495768 
1 1 1 -11 -12 19 o 46.625  1.8868  292.011   23.408    298.857   34.470    286.151   31.890    47.127  2.7426  46.123  2.5918  1.004082       3.773514 
1 1 1 -11 -12 20 o 148.561 3.0699  2966.78   122.134   2929.10   173.721   3003.61   171.744   147.622 4.3935  149.500 4.2889  -1.878555      6.139887 
1 1 1 -11 -12 21 f 116.025 2.5877  1807.24   80.408    1834.55   114.723   1780.86   112.731   116.886 3.6644  115.164 3.6546  1.722031       5.175302 
1 1 1 -11 -12 22 o 143.506 3.0335  2768.73   116.598   2767.04   165.605   2770.39   164.191   143.460 4.3098  143.553 4.2702  -0.9205627E-01 6.067029 
1 1 1 -11 -12 23 o 82.561  2.1687  914.692   47.902    975.602   68.382    856.006   67.122    85.263  2.9943  79.858  3.1380  5.404869       4.337381 
1 1 1 -11 -12 24 o 90.803  2.2912  1107.13   55.721    1126.72   79.099    1087.83   78.508    91.601  3.2239  90.004  3.2566  1.597298       4.582450 
1 1 1 -11 -12 25 o 122.829 2.7500  2029.63   90.470    2009.90   128.127   2049.24   127.762   122.230 3.9136  123.427 3.8646  -1.197105      5.500097 
1 1 1 -11 -12 26 o 172.793 3.5359  4034.24   163.590   4159.88   231.449   3908.81   231.253   175.504 4.9235  170.081 5.0762  5.423538       7.071740 
1 1 1 -11 -12 27 o 95.942  2.4120  1238.70   61.979    1252.18   87.503    1225.14   87.800    96.469  3.3865  95.415  3.4355  1.054100       4.823989 
1 1 1 -11 -12 28 f 208.318 4.1648  5909.92   232.387   5890.84   327.991   5929.14   329.302   207.982 5.8877  208.654 5.8922  -0.6723938     8.329657 
1 1 1 -11 -12 29 o 48.936  2.6576  318.191   31.985    343.796   58.301    307.166   38.256    50.201  4.3798  47.671  3.0116  2.529377       5.315242 
1 1 1 -11 -12 30 o 58.383  4.1103  464.166   63.867    464.166   63.867    0.0000    0.0000    58.383  4.1103  ?       ?       ?              ?        
1 1 1 -11 -12 31 o 45.748  2.1156  283.524   25.766    270.611   36.090    296.949   36.797    44.674  3.0341  46.822  2.9491  -2.148472      4.231187 
1 1 1 -11 -12 32 f 75.784  2.2658  777.906   45.952    798.597   64.253    756.242   65.746    76.836  3.1220  74.731  3.2846  2.104988       4.531604 
1 1 1 -11 -12 33 o 60.725  2.1921  499.797   35.562    474.040   49.564    527.128   51.055    59.063  3.1443  62.388  3.0553  -3.324738      4.384222 
1 1 1 -11 -12 34 o 10.852  2.8804  6.2208    12.537    -8.8190   16.883    24.706    18.718    8.0814  3.6528  13.622  4.4547  -5.541092      5.760840 
1 1 1 -11 -12 35 o 73.917  2.3357  744.651   46.186    757.681   64.104    730.586   66.602    74.625  3.2071  73.209  3.3965  1.416100       4.671352 
1 1 1 -11 -12 36 o 10.148  2.9812  3.9613    13.282    2.4500    17.838    5.8421    19.900    9.6779  4.0651  10.618  4.3619  -0.9403496     5.962471 
1 1 1 -11 -12 37 o 38.134  2.1383  197.187   21.302    212.311   33.791    187.212   27.442    39.272  3.2413  36.996  2.7898  2.276344       4.276607 
1 1 1 -11 -12 38 o 52.612  2.1048  375.961   29.224    404.775   45.354    355.502   38.216    54.257  3.1342  50.968  2.8102  3.288589       4.209531 
1 1 1 -11 -12 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -12 40 f 39.983  2.2216  212.934   23.076    275.885   37.581    174.833   29.237    44.534  3.1713  35.432  3.1122  9.102249       4.443276 
1 1 1 -11 -12 41 o 19.041  3.1930  56.342    15.600    46.230    26.697    61.585    19.223    17.428  5.2706  20.655  3.6058  -3.227278      6.385989 
1 1 1 -11 -12 42 o 9.7969  2.8682  2.6326    12.003    15.164    20.375    -4.0265   14.853    11.731  4.5452  7.8624  3.4997  3.868874       5.736437 
1 1 1 -11 -12 43 o 15.001  3.3683  31.878    14.789    44.766    24.887    24.843    18.388    16.888  5.0846  13.113  4.4192  3.774632       6.736671 
1 1 1 -11 -12 44 o 24.729  3.1469  91.823    19.383    99.758    32.404    87.402    24.186    25.188  4.9796  24.269  3.8492  0.9190578      6.293845 
1 1 1 -11 -12 45 o 18.896  3.5941  56.386    17.941    62.829    30.567    53.000    22.159    19.409  5.5814  18.383  4.5297  1.025864       7.188177 
1 1 1 -11 -12 46 o 20.557  3.6333  63.337    18.890    91.942    34.185    50.763    22.664    23.353  5.5474  17.760  4.6935  5.592886       7.266523 
1 1 1 -11 -12 47 o 41.252  2.6602  250.449   27.890    280.903   47.354    234.276   34.510    42.555  4.2098  39.949  3.2534  2.605488       5.320423 
1 1 1 -11 -11 1  o 151.583 3.1395  3088.47   127.348   2941.67   180.425   3234.21   179.772   147.979 4.5521  155.186 4.3249  -7.206696      6.279042 
1 1 1 -11 -11 2  f 100.062 2.3124  1343.19   61.963    1317.64   87.810    1368.54   87.450    99.112  3.3077  101.011 3.2322  -1.899834      4.624744 
1 1 1 -11 -11 3  f 113.018 2.4921  1714.69   75.339    1824.22   106.868   1606.48   106.227   116.614 3.4214  109.422 3.6244  7.191643       4.984249 
1 1 1 -11 -11 4  o 73.012  1.9542  714.723   38.198    685.691   53.799    744.239   54.245    71.515  2.8086  74.508  2.7181  -2.993233      3.908490 
1 1 1 -11 -11 5  o 143.311 2.9510  2757.08   113.274   2740.98   159.967   2773.27   160.423   142.891 4.1796  143.732 4.1670  -0.8401337     5.901954 
1 1 1 -11 -11 6  o 110.075 2.4456  1625.44   72.098    1637.04   101.562   1613.65   102.367   110.473 3.4323  109.678 3.4846  0.7947693      4.891137 
1 1 1 -11 -11 7  o 48.792  1.6952  320.250   22.058    336.131   30.703    303.308   31.713    50.081  2.2888  47.504  2.5012  2.576981       3.390391 
1 1 1 -11 -11 8  o 75.102  1.9248  756.508   38.698    770.923   54.182    741.498   55.289    75.835  2.6675  74.370  2.7756  1.464272       3.849557 
1 1 1 -11 -11 9  o 90.675  2.1278  1102.40   51.676    1095.97   72.595    1109.00   73.576    90.407  2.9979  90.942  3.0205  -0.5349274     4.255674 
1 1 1 -11 -11 10 o 27.262  1.7564  100.817   12.625    109.674   17.692    91.628    18.021    28.511  2.3374  26.013  2.6222  2.497839       3.512755 
1 1 1 -11 -11 11 o 31.169  1.7381  131.305   14.344    119.491   20.289    143.112   20.283    29.746  2.5718  32.593  2.3389  -2.847647      3.476277 
1 1 1 -11 -11 12 o 183.826 3.5991  4543.48   177.147   4685.48   250.660   4401.78   250.387   186.707 5.0123  180.946 5.1662  5.761200       7.198135 
1 1 1 -11 -11 13 o 78.125  1.9910  818.279   41.661    828.695   59.281    808.115   58.561    78.616  2.8153  77.634  2.8162  0.9823380      3.982050 
1 1 1 -11 -11 14 o 171.781 3.4226  3966.02   157.472   4013.44   223.275   3919.08   222.127   172.805 4.8239  170.757 4.8566  2.047775       6.845172 
1 1 1 -11 -11 15 o 70.145  1.9063  659.645   35.805    662.295   51.345    657.138   49.955    70.281  2.7275  70.009  2.6640  0.2722626      3.812630 
1 1 1 -11 -11 16 o 200.420 3.9246  5406.46   210.678   5441.58   298.974   5371.83   296.923   201.066 5.5514  199.774 5.5490  1.292465       7.849208 
1 1 1 -11 -11 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -11 18 o 138.990 3.6013  2598.57   126.199   2597.96   154.346   2599.79   219.199   139.071 4.1435  138.909 5.8914  0.1624298      7.202608 
1 1 1 -11 -11 19 o 46.708  1.8936  292.565   23.552    313.366   34.446    274.302   32.276    48.267  2.6748  45.148  2.6810  3.118912       3.787158 
1 1 1 -11 -11 20 o 19.520  2.8553  55.587    14.400    35.763    21.511    71.686    19.385    16.154  4.6929  22.886  3.2540  -6.731861      5.710615 
1 1 1 -11 -11 21 o 64.497  2.0277  558.041   35.005    556.108   50.411    559.841   48.645    64.387  2.9231  64.607  2.8110  -0.2196884     4.055398 
1 1 1 -11 -11 22 o 109.344 2.5186  1605.08   73.758    1632.93   104.853   1577.80   103.775   110.284 3.5496  108.404 3.5740  1.879784       5.037191 
1 1 1 -11 -11 23 o 157.738 3.2660  3347.49   137.982   3318.76   195.317   3376.10   194.957   157.059 4.6429  158.418 4.5946  -1.358444      6.531960 
1 1 1 -11 -11 24 o 82.500  2.2217  913.560   49.091    922.515   69.766    904.777   69.089    82.900  3.1420  82.099  3.1418  0.8008423      4.443319 
1 1 1 -11 -11 25 o 72.192  2.1465  700.261   41.456    738.699   58.585    661.711   58.671    74.183  2.9485  70.201  3.1203  3.981705       4.292983 
1 1 1 -11 -11 26 o 84.333  2.2804  955.577   51.505    937.114   72.676    974.208   73.005    83.513  3.2490  85.153  3.2008  -1.640923      4.560819 
1 1 1 -11 -11 27 o 87.030  2.3141  1018.55   53.937    1028.35   75.889    1008.54   76.675    87.457  3.2396  86.603  3.3054  0.8536377      4.628277 
1 1 1 -11 -11 28 o 77.916  2.2301  816.565   46.540    809.481   65.419    823.825   66.223    77.575  3.1484  78.258  3.1593  -0.6830978     4.460226 
1 1 1 -11 -11 29 o 47.685  2.0715  307.134   26.290    286.084   36.917    328.793   37.447    46.010  3.0123  49.361  2.8444  -3.350876      4.142989 
1 1 1 -11 -11 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -11 31 o 100.005 2.5293  1353.39   67.720    1366.77   94.684    1339.38   96.895    100.528 3.5164  99.481  3.6364  1.046158       5.058507 
1 1 1 -11 -11 32 o 94.671  2.4854  1215.56   62.971    1245.56   88.018    1184.10   90.129    95.896  3.4267  93.446  3.6009  2.450317       4.970834 
1 1 1 -11 -11 33 o 59.069  2.2025  473.400   34.710    459.637   48.319    488.075   49.894    58.181  3.1119  59.957  3.1176  -1.776009      4.404918 
1 1 1 -11 -11 34 o 51.463  2.2097  361.513   30.224    379.223   41.917    342.335   43.621    52.823  2.9748  50.103  3.2683  2.720013       4.419416 
1 1 1 -11 -11 35 f 20.495  2.6065  56.929    13.430    68.511    22.248    50.288    16.846    22.060  3.9083  18.930  3.4496  3.130707       5.212965 
1 1 1 -11 -11 36 o 24.880  2.4082  83.557    15.306    98.103    24.893    74.714    19.409    26.551  3.5927  23.210  3.2079  3.340809       4.816381 
1 1 1 -11 -11 37 o 27.723  2.4920  110.869   17.117    91.768    27.291    123.256   21.978    25.455  4.1453  29.990  2.7672  -4.535147      4.984074 
1 1 1 -11 -11 38 o 22.085  2.7554  71.078    15.045    62.874    24.631    75.961    19.001    20.806  4.5468  23.364  3.1138  -2.557196      5.510830 
1 1 1 -11 -11 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -11 40 o 26.467  2.6099  97.634    17.520    108.147   28.761    91.432    22.091    27.450  4.0319  25.483  3.3150  1.966913       5.219743 
1 1 1 -11 -11 41 o 22.733  3.0331  80.158    16.688    63.437    28.403    88.974    20.623    20.341  5.1949  25.126  3.1324  -4.785267      6.066194 
1 1 1 -11 -11 42 o 42.621  2.3207  250.456   25.751    288.168   41.763    227.322   32.710    45.012  3.4913  40.230  3.0584  4.782284       4.641477 
1 1 1 -11 -11 43 o 20.647  3.1713  58.133    16.570    95.805    29.017    39.905    20.184    25.165  4.4687  16.129  4.5010  9.035681       6.342579 
1 1 1 -11 -11 44 o 33.284  2.7132  163.737   22.450    158.982   37.699    166.350   27.946    32.395  4.4632  34.173  3.0864  -1.778229      5.426427 
1 1 1 -11 -11 45 o 20.243  3.4654  60.926    17.834    82.541    31.088    50.324    21.772    22.571  5.2426  17.915  4.5335  4.655668       6.930892 
1 1 1 -11 -11 46 o 41.025  2.6437  248.064   27.661    254.614   45.611    244.253   34.788    40.917  4.2225  41.134  3.1822  -0.2172585     5.287361 
1 1 1 -11 -11 47 o 9.1078  2.9191  -3.1088   14.074    -11.3928  27.432    -0.1492   16.397    9.6907  4.4824  8.5250  3.7405  1.165630       5.838106 
1 1 1 -11 -10 1  o 99.521  2.3042  1328.23   61.420    1346.98   87.224    1309.80   86.501    100.218 3.2494  98.824  3.2679  1.393555       4.608449 
1 1 1 -11 -10 2  o 102.539 2.3565  1411.13   64.662    1344.11   91.591    1477.73   91.301    100.106 3.4159  104.972 3.2472  -4.865700      4.713018 
1 1 1 -11 -10 3  o 292.921 5.5671  11580.96  436.696   11865.24  618.032   11297.52  617.131   296.538 7.7811  289.305 7.9640  7.232635       11.13424 
1 1 1 -11 -10 4  o 203.752 3.9103  5580.42   213.404   5568.57   301.771   5592.27   301.828   203.535 5.5354  203.969 5.5247  -0.4341431     7.820641 
1 1 1 -11 -10 5  o 232.839 4.4266  7294.37   276.061   7221.21   390.085   7367.77   390.733   231.665 6.2865  234.014 6.2338  -2.348175      8.853250 
1 1 1 -11 -10 6  o 87.854  2.1104  1034.62   49.657    1023.66   69.715    1045.91   70.747    87.382  2.9786  88.326  2.9904  -0.9441223     4.220733 
1 1 1 -11 -10 7  o 219.437 4.1920  6475.21   246.388   6450.26   347.881   6500.32   349.013   219.013 5.9302  219.862 5.9266  -0.8486481     8.384019 
1 1 1 -11 -10 8  o 107.286 2.3620  1543.42   67.872    1531.94   95.459    1555.16   96.520    106.883 3.3344  107.689 3.3462  -0.8065720     4.723962 
1 1 1 -11 -10 9  o 180.377 3.5567  4371.48   171.794   4477.48   242.621   4264.90   243.289   182.578 4.9613  178.176 5.0978  4.401352       7.113481 
1 1 1 -11 -10 10 o 108.079 2.3643  1566.54   68.441    1570.05   96.527    1562.98   97.057    108.201 3.3306  107.956 3.3565  0.2448959      4.728570 
1 1 1 -11 -10 11 o 292.203 5.4964  11523.35  430.138   11717.43  608.437   11329.44  608.178   294.682 7.7086  289.725 7.8371  4.956421       10.99282 
1 1 1 -11 -10 12 o 106.828 2.3713  1530.59   67.852    1541.70   96.299    1519.65   95.618    107.213 3.3534  106.444 3.3538  0.7694855      4.742668 
1 1 1 -11 -10 13 o 130.505 2.7300  2285.73   95.374    2389.52   135.547   2183.96   134.220   133.444 3.7923  127.565 3.9282  5.878052       5.460077 
1 1 1 -11 -10 14 o 164.683 3.2834  3643.09   144.826   3665.60   205.676   3620.96   203.966   165.186 4.6486  164.179 4.6382  1.007767       6.566764 
1 1 1 -11 -10 15 o 135.008 2.8152  2446.37   101.792   2499.30   144.964   2394.89   142.967   136.449 3.9664  133.566 3.9962  2.882858       5.630486 
1 1 1 -11 -10 16 o 154.770 3.1477  3218.34   130.467   3184.84   185.588   3251.08   183.447   153.969 4.5002  155.572 4.4024  -1.603531      6.295463 
1 1 1 -11 -10 17 o 143.072 2.9730  2749.30   113.917   2743.42   162.175   2755.02   160.053   142.918 4.2365  143.226 4.1721  -0.3081360     5.945947 
1 1 1 -11 -10 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -10 19 o 55.609  3.8135  417.135   56.459    417.135   56.459    0.0000    0.0000    55.609  3.8135  ?       ?       ?              ?        
1 1 1 -11 -10 20 o 106.922 2.4585  1534.18   70.399    1570.52   100.158   1498.69   98.971    108.174 3.4568  105.669 3.4968  2.505348       4.917009 
1 1 1 -11 -10 21 o 123.599 2.7230  2051.46   90.141    2081.82   127.913   2021.51   127.048   124.509 3.8355  122.690 3.8661  1.819397       5.445910 
1 1 1 -11 -10 22 o 186.482 3.7273  4682.07   186.171   4662.08   263.396   4702.04   263.175   186.081 5.2847  186.882 5.2576  -0.8007660     7.454533 
1 1 1 -11 -10 23 o 75.839  2.1370  771.680   43.407    783.906   61.557    759.588   61.218    76.437  3.0067  75.241  3.0376  1.196335       4.274006 
1 1 1 -11 -10 24 o 139.313 3.0100  2609.86   112.304   2649.02   158.543   2570.42   159.102   140.367 4.2169  138.258 4.2963  2.108337       6.020000 
1 1 1 -11 -10 25 f 101.777 2.4500  1391.66   66.775    1413.95   94.032    1368.99   94.841    102.603 3.4216  100.951 3.5075  1.651711       4.899945 
1 1 1 -11 -10 26 o 128.431 2.8501  2220.12   98.003    2280.04   138.077   2159.29   139.124   130.188 3.9597  126.673 4.1004  3.514870       5.700214 
1 1 1 -11 -10 27 o 108.971 2.5892  1598.57   75.526    1648.47   106.204   1547.52   107.425   110.703 3.5817  107.238 3.7399  3.464302       5.178424 
1 1 1 -11 -10 28 o 63.585  2.1548  545.386   36.549    572.506   50.940    516.612   52.470    65.269  2.9138  61.901  3.1753  3.368313       4.309669 
1 1 1 -11 -10 29 o 89.089  2.3989  1071.45   57.102    1143.05   80.083    997.411   81.443    92.145  3.2448  86.033  3.5342  6.111679       4.797847 
1 1 1 -11 -10 30 o 105.681 5.0535  1518.90   143.046   0.0000    0.0000    1518.90   143.046   ?       ?       105.681 5.0535  ?              ?        
1 1 1 -11 -10 31 o 83.898  2.3393  951.234   52.509    973.057   73.084    927.949   75.493    84.912  3.2134  82.883  3.4006  2.029488       4.678645 
1 1 1 -11 -10 32 o 16.068  3.1345  36.280    13.914    36.449    19.080    36.088    20.335    16.087  4.3316  16.049  4.5317  0.3873634E-01  6.268928 
1 1 1 -11 -10 33 f 118.803 3.4059  1941.87   102.624   1949.63   126.554   1926.97   175.378   119.634 3.9494  117.972 5.5502  1.662186       6.811897 
1 1 1 -11 -10 34 o 32.720  2.2774  152.962   18.696    118.023   28.842    178.283   24.554    29.191  3.7774  36.248  2.5451  -7.057575      4.554824 
1 1 1 -11 -10 35 o 42.419  2.0258  238.469   22.561    298.169   35.220    196.926   29.379    46.832  2.8209  38.005  2.9082  8.826431       4.051517 
1 1 1 -11 -10 36 o 21.546  2.7637  69.448    14.648    50.952    23.480    81.232    18.741    18.807  4.6799  24.285  2.9411  -5.477982      5.527361 
1 1 1 -11 -10 37 f 69.288  2.2004  656.744   40.538    637.930   60.594    671.987   54.540    68.303  3.3121  70.272  2.8976  -1.969414      4.400717 
1 1 1 -11 -10 38 o 16.408  3.0836  38.105    13.377    41.961    22.355    35.955    16.696    17.009  4.7334  15.807  3.9535  1.202386       6.167282 
1 1 1 -11 -10 39 f 36.807  4.7696  195.066   45.916    0.0000    0.0000    195.066   45.916    ?       ?       36.807  4.7696  ?              ?        
1 1 1 -11 -10 40 o 12.974  2.9096  12.796    12.329    47.150    22.141    -2.6456   14.844    17.835  4.6035  8.1139  3.5596  9.721222       5.819159 
1 1 1 -11 -10 41 o 24.807  2.8642  89.247    17.522    89.685    29.563    89.010    21.755    24.549  4.6665  25.064  3.3224  -0.5150661     5.728427 
1 1 1 -11 -10 42 o 17.675  2.9643  54.641    15.812    7.7082    27.303    78.327    19.396    11.882  5.0122  23.468  3.1665  -11.58556      5.928632 
1 1 1 -11 -10 43 o 14.546  3.2146  27.846    13.828    47.770    23.450    17.225    17.122    17.515  4.8384  11.577  4.2339  5.937564       6.429296 
1 1 1 -11 -10 44 o 16.898  3.4755  44.348    16.223    47.585    27.085    42.537    20.260    17.224  5.3280  16.573  4.4641  0.6510868      6.950911 
1 1 1 -11 -10 45 o 19.704  3.4285  59.145    16.836    68.930    30.901    55.015    20.078    20.403  5.5204  19.004  4.0673  1.399553       6.856997 
1 1 1 -11 -10 46 o 11.994  3.1574  15.529    16.282    -22.3870  28.298    34.294    19.908    9.2300  4.3597  14.758  4.5683  -5.528441      6.314762 
1 1 1 -11 -10 47 o 10.699  3.2158  8.9023    15.087    0.7409    29.367    11.829    17.586    10.972  4.8996  10.426  4.1663  0.5459032      6.431540 
1 1 1 -11 -9  1  o 84.746  2.1152  962.786   48.013    966.502   68.121    959.117   67.682    84.909  2.9953  84.584  2.9874  0.3248062      4.230440 
1 1 1 -11 -9  2  o 229.341 4.4260  7075.48   271.792   6865.70   384.547   7284.88   384.198   225.929 6.3546  232.754 6.1627  -6.824677      8.852096 
1 1 1 -11 -9  3  o 248.898 4.7421  8335.14   316.130   8403.00   447.244   8267.38   446.908   249.914 6.6814  247.881 6.7311  2.033417       9.484107 
1 1 1 -11 -9  4  o 271.438 5.1090  9918.97   371.432   10020.83  525.192   9817.03   525.378   272.840 7.1866  270.036 7.2637  2.803558       10.21807 
1 1 1 -11 -9  5  o 40.672  1.6527  222.368   17.920    221.632   24.940    223.155   25.766    40.605  2.3026  40.740  2.3715  -0.1350021     3.305444 
1 1 1 -11 -9  6  o 78.614  1.9660  827.992   41.389    806.047   57.951    850.840   59.133    77.551  2.7899  79.677  2.7708  -2.126045      3.932019 
1 1 1 -11 -9  7  o 210.052 4.0233  5929.76   226.247   6137.74   319.626   5720.91   320.296   213.757 5.5826  206.347 5.7951  7.410080       8.046648 
1 1 1 -11 -9  8  o 71.596  1.8455  686.999   35.385    689.605   49.627    684.304   50.468    71.735  2.5829  71.457  2.6368  0.2772217      3.691083 
1 1 1 -11 -9  9  o 306.210 5.7566  12643.75  472.013   12981.69  667.444   12305.64  667.610   310.331 8.0297  302.088 8.2509  8.243134       11.51318 
1 1 1 -11 -9  10 o 181.991 3.5398  4449.04   172.446   4631.30   243.993   4267.12   243.758   185.726 4.9047  178.256 5.1054  7.470596       7.079617 
1 1 1 -11 -9  11 f 243.995 4.6034  8010.17   300.842   8087.80   425.847   7932.83   425.065   245.179 6.4846  242.810 6.5358  2.369278       9.206860 
1 1 1 -11 -9  12 o 123.112 2.6083  2033.12   86.004    2024.65   122.218   2041.42   121.046   122.857 3.7141  123.367 3.6632  -0.5104599     5.216637 
1 1 1 -11 -9  13 o 311.207 5.8539  13080.22  487.961   13121.72  690.977   13038.95  689.188   311.700 8.2763  310.714 8.2811  0.9861450      11.70787 
1 1 1 -11 -9  14 o 71.714  1.9355  689.163   37.158    697.496   53.575    681.438   51.581    72.131  2.7730  71.298  2.7010  0.8333206      3.871056 
1 1 1 -11 -9  15 o 231.817 4.4659  7237.75   277.262   7137.12   393.133   7337.33   391.091   230.202 6.3759  233.433 6.2550  -3.231125      8.931800 
1 1 1 -11 -9  16 o 218.043 4.2184  6400.08   246.357   6456.64   349.510   6344.24   347.302   219.001 5.9583  217.084 5.9730  1.917419       8.436704 
1 1 1 -11 -9  17 o 194.966 3.8359  5113.62   200.309   5160.42   284.226   5067.44   282.344   195.854 5.4181  194.079 5.4314  1.774719       7.671725 
1 1 1 -11 -9  18 o 116.513 2.5887  1821.92   80.783    1830.48   114.901   1813.55   113.600   116.783 3.6733  116.243 3.6486  0.5396576      5.177370 
1 1 1 -11 -9  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -9  20 o 25.764  2.6627  79.771    16.699    56.424    19.981    133.840   30.407    20.167  3.8393  31.360  3.6906  -11.19354      5.325495 
1 1 1 -11 -9  21 o 247.248 4.7562  8254.91   314.964   8340.41   445.382   8169.37   445.470   248.539 6.6904  245.956 6.7620  2.583069       9.512353 
1 1 1 -11 -9  22 o 217.240 4.2698  6364.19   248.397   6204.04   350.839   6525.16   351.734   214.483 6.1070  219.998 5.9691  -5.514847      8.539623 
1 1 1 -11 -9  23 o 42.112  2.0201  239.231   22.614    254.167   31.961    224.257   32.001    43.444  2.7609  40.780  2.9496  2.664352       4.040140 
1 1 1 -11 -9  24 o 60.526  2.0523  491.480   33.270    490.614   46.834    492.363   47.271    60.473  2.8915  60.580  2.9133  -0.1068840     4.104611 
1 1 1 -11 -9  25 o 121.024 2.7291  1968.05   88.460    1935.49   124.224   2001.55   125.998   120.008 3.8646  122.040 3.8545  -2.031891      5.458256 
1 1 1 -11 -9  26 o 76.896  2.2096  794.562   45.474    819.072   63.780    769.219   64.854    78.108  3.0486  75.684  3.1992  2.423820       4.419149 
1 1 1 -11 -9  27 o 35.002  2.1770  166.135   20.157    175.582   28.268    156.362   28.752    36.038  2.9544  33.965  3.1981  2.073566       4.353904 
1 1 1 -11 -9  28 o 80.838  2.2612  878.924   48.933    888.587   68.279    868.721   70.162    81.301  3.1355  80.375  3.2591  0.9261703      4.522459 
1 1 1 -11 -9  29 o 125.848 2.8769  2137.89   96.940    2156.32   135.684   2118.68   138.548   126.416 4.0072  125.279 4.1289  1.137161       5.753707 
1 1 1 -11 -9  30 o 93.263  2.4234  1171.75   60.509    1125.50   84.285    1220.93   86.921    91.363  3.4442  95.164  3.4101  -3.800850      4.846761 
1 1 1 -11 -9  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -9  32 o 95.248  2.3580  1223.03   60.037    1335.97   87.451    1122.34   82.569    99.408  3.2844  91.088  3.3843  8.320107       4.715980 
1 1 1 -11 -9  33 o 126.085 2.8489  2167.04   96.104    2135.99   138.643   2195.76   133.335   125.158 4.1357  127.012 3.9193  -1.854538      5.697830 
1 1 1 -11 -9  34 o 48.490  2.0530  322.244   26.211    296.751   39.287    342.694   35.188    46.678  3.1609  50.303  2.6207  -3.624592      4.106041 
1 1 1 -11 -9  35 o 80.028  2.2625  871.547   48.298    855.382   71.226    885.307   65.714    79.283  3.3541  80.773  3.0374  -1.490189      4.524980 
1 1 1 -11 -9  36 o 64.999  2.1340  570.789   36.958    606.535   55.766    542.790   49.353    66.771  3.1181  63.227  2.9142  3.543781       4.267904 
1 1 1 -11 -9  37 o 14.866  3.0187  30.219    12.320    36.704    20.385    26.487    15.463    16.024  4.5417  13.708  3.9777  2.315250       6.037352 
1 1 1 -11 -9  38 o 25.080  2.8154  95.895    16.893    66.256    27.180    114.550   21.563    21.298  4.8704  28.861  2.8257  -7.562525      5.630701 
1 1 1 -11 -9  39 o 7.9433  3.4984  -3.3302   14.462    0.0000    0.0000    -3.3302   14.462    ?       ?       7.9433  3.4984  ?              ?        
1 1 1 -11 -9  40 o 27.345  2.6602  106.021   18.142    107.139   30.307    105.396   22.648    27.223  4.2990  27.467  3.1346  -0.2433929     5.320408 
1 1 1 -11 -9  41 o 23.633  2.9298  80.820    17.073    83.768    29.021    79.259    21.113    23.678  4.7411  23.588  3.4432  0.9056664E-01  5.859532 
1 1 1 -11 -9  42 o 17.171  3.1980  41.175    14.619    60.781    24.688    30.589    18.141    19.974  4.6941  14.369  4.3445  5.605142       6.396075 
1 1 1 -11 -9  43 o 23.469  3.0324  76.887    17.660    106.235   30.663    62.320    21.603    26.543  4.4719  20.395  4.0967  6.147863       6.064760 
1 1 1 -11 -9  44 o 16.627  3.4191  44.926    16.125    33.687    28.366    50.291    19.599    15.066  5.4587  18.189  4.1187  -3.122363      6.838260 
1 1 1 -11 -9  45 o 6.8166  2.3496  -28.1460  12.429    -19.5783  21.518    -32.4359  15.226    8.0566  3.8044  5.5766  2.7585  2.480032       4.699188 
1 1 1 -11 -9  46 o 15.777  3.7194  40.032    17.738    39.039    32.016    40.471    21.308    15.642  5.7785  15.913  4.6844  -0.2705622     7.438744 
1 1 1 -11 -9  47 o 10.038  3.0921  4.0538    15.036    -10.0485  28.682    9.3982    17.657    10.006  4.6125  10.069  4.1193  -0.6260967E-01 6.184163 
1 1 1 -11 -8  1  o 189.105 3.7491  4801.48   189.883   4877.69   269.042   4725.84   268.033   190.604 5.2699  187.607 5.3339  2.996155       7.498165 
1 1 1 -11 -8  2  o 331.642 6.2206  14826.75  552.561   14948.30  781.838   14705.45  781.042   333.007 8.7654  330.276 8.8289  2.731628       12.44119 
1 1 1 -11 -8  3  o 172.025 3.4552  3971.20   159.173   3879.87   224.983   4062.73   225.225   170.040 4.9398  174.009 4.8323  -3.968323      6.910353 
1 1 1 -11 -8  4  o 208.900 4.0511  5859.69   226.645   5955.30   320.313   5763.83   320.737   210.611 5.6781  207.189 5.7796  3.422470       8.102111 
1 1 1 -11 -8  5  o 127.871 2.6652  2192.27   91.276    2203.70   128.571   2180.66   129.604   128.208 3.7440  127.535 3.7940  0.6739578      5.330319 
1 1 1 -11 -8  6  o 162.129 3.2086  3525.86   139.333   3542.33   196.500   3509.20   197.598   162.511 4.5143  161.746 4.5610  0.7644958      6.417286 
1 1 1 -11 -8  7  o 205.734 3.9161  5681.97   215.790   5724.75   304.706   5638.92   305.644   206.513 5.5086  204.954 5.5676  1.558960       7.832207 
1 1 1 -11 -8  8  f 127.297 2.6351  2172.60   89.842    2183.78   126.714   2161.29   127.402   127.627 3.7067  126.966 3.7463  0.6603546      5.270150 
1 1 1 -11 -8  9  o 54.489  1.6837  397.809   24.573    400.661   34.762    394.960   34.741    54.684  2.3733  54.293  2.3890  0.3905640      3.367468 
1 1 1 -11 -8  10 f 26.071  1.7522  91.847    12.082    93.312    17.435    90.493    16.758    26.269  2.5083  25.872  2.4473  0.3971672      3.504409 
1 1 1 -11 -8  11 o 243.988 4.6062  8004.76   300.946   8227.98   426.412   7783.22   424.796   247.389 6.4352  240.587 6.5920  6.802017       9.212299 
1 1 1 -11 -8  12 o 250.764 4.7469  8459.57   318.829   8533.78   451.866   8386.00   449.924   251.861 6.6982  249.666 6.7281  2.195389       9.493841 
1 1 1 -11 -8  13 o 265.792 5.0798  9515.75   361.582   9346.58   512.306   9683.66   510.408   263.422 7.2609  268.162 7.1061  -4.740326      10.15956 
1 1 1 -11 -8  14 o 130.442 2.7757  2282.81   96.967    2288.31   138.242   2277.47   136.049   130.596 3.9521  130.289 3.8985  0.3064423      5.551329 
1 1 1 -11 -8  15 o 227.038 4.3831  6937.08   266.534   7023.41   377.998   6851.72   375.882   228.446 6.1775  225.630 6.2197  2.816956       8.766196 
1 1 1 -11 -8  16 o 261.066 4.9901  9190.32   348.936   9239.78   494.306   9141.19   492.638   261.768 7.0500  260.364 7.0641  1.403778       9.980208 
1 1 1 -11 -8  17 o 283.938 5.4082  10890.50  411.275   10743.96  582.003   11036.66  581.261   282.012 7.7049  285.863 7.5914  -3.851746      10.81645 
1 1 1 -11 -8  18 o 109.189 2.5134  1599.91   73.503    1590.10   104.356   1609.57   103.548   108.855 3.5791  109.523 3.5298  -0.6673355     5.026880 
1 1 1 -11 -8  19 o 86.618  2.1854  1006.47   50.688    1035.68   71.826    977.497   71.543    87.872  3.0517  85.365  3.1289  2.507347       4.370722 
1 1 1 -11 -8  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -8  21 o 65.427  2.0014  574.431   35.045    601.323   49.558    547.531   49.565    66.962  2.7631  63.892  2.8963  3.069504       4.002894 
1 1 1 -11 -8  22 o 33.743  2.0560  154.013   18.380    159.319   25.736    148.490   26.258    34.350  2.8222  33.136  2.9907  1.213928       4.112033 
1 1 1 -11 -8  23 o 25.373  2.6684  91.535    16.822    119.048   23.403    62.127    24.195    29.640  2.9887  21.107  4.4214  8.532866       5.336767 
1 1 1 -11 -8  24 o 148.307 3.1322  2958.14   124.393   3007.60   175.093   2907.74   176.756   149.567 4.3706  147.048 4.4877  2.519394       6.264362 
1 1 1 -11 -8  25 o 10.696  2.6402  8.2770    11.266    25.940    15.168    -13.4626  16.827    13.734  3.9262  7.6570  3.5308  6.077429       5.280311 
1 1 1 -11 -8  26 o 100.849 2.4990  1367.78   67.435    1412.14   94.338    1321.43   96.431    102.532 3.4351  99.166  3.6305  3.365059       4.998014 
1 1 1 -11 -8  27 o 124.683 2.8326  2093.09   94.547    2135.45   132.471   2049.11   134.982   125.982 3.9258  123.385 4.0844  2.596634       5.665135 
1 1 1 -11 -8  28 o 56.615  2.0948  431.756   31.635    430.095   43.919    433.548   45.606    56.507  2.9116  56.723  3.0125  -0.2156181     4.189629 
1 1 1 -11 -8  29 o 33.170  2.6048  141.668   22.017    118.160   27.264    185.743   37.332    29.414  3.5311  36.926  3.8302  -7.512054      5.209508 
1 1 1 -11 -8  30 o 161.042 3.3646  3517.96   145.057   3461.98   207.452   3571.52   202.906   159.750 4.8483  162.334 4.6666  -2.584015      6.729232 
1 1 1 -11 -8  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -8  32 o 40.191  1.9753  214.750   20.793    275.424   31.653    168.694   27.577    45.141  2.6292  35.240  2.9487  9.900993       3.950678 
1 1 1 -11 -8  33 o 33.471  2.0784  150.857   18.301    165.559   28.089    140.014   24.123    34.864  3.0383  32.078  2.8369  2.786839       4.156833 
1 1 1 -11 -8  34 o 72.560  2.2102  716.078   42.701    687.604   63.181    740.022   57.937    71.173  3.3142  73.946  2.9252  -2.772346      4.420458 
1 1 1 -11 -8  35 o 10.835  2.8067  13.212    10.669    6.2521    18.006    16.977    13.244    10.288  4.1786  11.382  3.7484  -1.094694      5.613461 
1 1 1 -11 -8  36 o 109.349 2.6753  1641.04   78.115    1598.05   114.137   1678.92   107.137   107.889 3.9497  110.809 3.6097  -2.920242      5.350699 
1 1 1 -11 -8  37 o 32.321  2.2803  144.243   19.022    142.435   30.124    145.442   24.530    32.050  3.5698  32.593  2.8383  -0.5429459     4.560627 
1 1 1 -11 -8  38 o 17.102  2.7859  35.240    13.179    75.034    22.325    13.953    16.328    23.049  3.7447  11.156  4.1256  11.89224       5.571700 
1 1 1 -11 -8  39 o 42.556  2.6748  246.607   26.916    268.838   52.009    238.474   31.457    43.443  4.5365  41.668  2.8354  1.775246       5.349673 
1 1 1 -11 -8  40 o 44.091  2.2945  267.498   26.435    285.342   41.973    255.767   34.033    45.173  3.4962  43.009  2.9725  2.163342       4.589015 
1 1 1 -11 -8  41 o 9.6144  2.8994  2.4721    12.187    2.6288    22.443    2.4065    14.513    10.534  4.4977  8.6949  3.6603  1.838974       5.798826 
1 1 1 -11 -8  42 o 13.393  3.2953  24.602    14.093    25.921    23.489    23.861    17.616    13.809  4.9726  12.977  4.3253  0.8319473      6.590540 
1 1 1 -11 -8  43 o 16.887  3.3867  43.329    15.225    45.715    27.506    42.276    18.281    17.046  5.3844  16.729  4.1095  0.3173504      6.773464 
1 1 1 -11 -8  44 o 27.296  2.9347  108.512   20.030    123.050   33.791    100.636   24.871    28.367  4.6052  26.224  3.6390  2.143793       5.869388 
1 1 1 -11 -8  45 o 9.5097  2.9765  -0.6062   14.048    -7.0257   26.036    2.0303    16.685    10.010  4.5293  9.0093  3.8632  1.000683       5.953040 
1 1 1 -11 -8  46 o 12.658  3.2013  21.834    16.145    -16.3809  30.177    37.158    19.110    9.9612  4.6395  15.355  4.4124  -5.394056      6.402671 
1 1 1 -11 -8  47 o 11.748  3.3214  17.118    15.401    4.2484    30.086    21.687    17.928    11.363  5.0230  12.134  4.3469  -0.7708311     6.642751 
1 1 1 -11 -7  1  o 250.195 4.8186  8410.28   322.911   8378.42   457.063   8442.02   456.268   249.719 6.8334  250.670 6.7956  -0.9503632     9.637186 
1 1 1 -11 -7  2  o 197.809 3.8229  5250.32   202.533   5333.93   286.684   5167.01   286.168   199.384 5.3681  196.234 5.4445  3.149689       7.645873 
1 1 1 -11 -7  3  o 315.553 5.8688  13396.21  495.766   13909.40  701.454   12883.99  700.784   321.619 8.1427  309.488 8.4538  12.13080       11.73755 
1 1 1 -11 -7  4  o 285.709 5.3352  10969.13  408.285   10960.13  576.976   10978.16  577.829   285.592 7.5426  285.826 7.5476  -0.2341614     10.67039 
1 1 1 -11 -7  5  o 541.025 9.9847  39657.59  1446.91   39651.21  2045.66   39663.96  2046.83   540.983 14.118  541.067 14.123  -0.8441162E-01 19.96944 
1 1 1 -11 -7  6  o 232.704 4.3819  7269.20   273.088   7383.98   385.790   7153.92   386.621   234.551 6.1408  230.858 6.2525  3.692245       8.763725 
1 1 1 -11 -7  7  o 292.648 5.5012  11511.73  431.188   11641.37  609.484   11381.83  610.101   294.304 7.7317  290.992 7.8276  3.312134       11.00234 
1 1 1 -11 -7  8  o 263.983 4.9513  9362.77   350.011   9598.64   495.048   9127.02   494.931   267.318 6.9140  260.649 7.0893  6.669861       9.902576 
1 1 1 -11 -7  9  o 332.000 6.1469  14835.17  546.614   14828.84  773.334   14841.50  772.723   331.928 8.6983  332.072 8.6876  -0.1437988     12.29371 
1 1 1 -11 -7  10 o 147.063 3.0051  2900.15   118.368   2901.25   168.073   2899.06   166.730   147.090 4.2660  147.036 4.2335  0.5406189E-01  6.010136 
1 1 1 -11 -7  11 o 253.530 4.8090  8638.97   326.562   8668.37   462.808   8609.83   460.855   253.959 6.8038  253.101 6.7980  0.8582153      9.617904 
1 1 1 -11 -7  12 o 135.014 2.7877  2444.70   100.797   2433.92   143.637   2455.16   141.484   134.719 3.9806  135.309 3.9038  -0.5901947     5.575394 
1 1 1 -11 -7  13 o 295.081 5.5642  11730.47  439.759   11648.56  622.978   11811.82  620.855   294.045 7.9099  296.116 7.8278  -2.071533      11.12836 
1 1 1 -11 -7  14 o 153.197 3.1332  3151.47   128.486   3045.37   182.532   3255.66   180.891   150.633 4.5241  155.760 4.3358  -5.127579      6.266314 
1 1 1 -11 -7  15 o 60.428  1.8563  489.848   30.018    475.020   42.926    504.039   41.994    59.531  2.6921  61.325  2.5566  -1.793968      3.712615 
1 1 1 -11 -7  16 o 330.949 6.2551  14816.74  554.461   14690.51  784.393   14942.80  783.859   329.525 8.8870  332.374 8.8049  -2.848450      12.51018 
1 1 1 -11 -7  17 o 112.232 2.5094  1689.89   75.436    1687.88   106.734   1691.90   106.632   112.165 3.5527  112.299 3.5450  -0.1339874     5.018839 
1 1 1 -11 -7  18 o 170.409 3.4436  3903.07   157.162   3832.46   222.046   3973.96   222.475   168.859 4.9094  171.958 4.8302  -3.098892      6.887197 
1 1 1 -11 -7  19 o 138.463 2.9238  2574.62   108.436   2570.71   153.070   2578.56   153.636   138.358 4.1304  138.568 4.1394  -0.2101898     5.847662 
1 1 1 -11 -7  20 o 308.453 8.3035  12890.64  686.026   0.0000    0.0000    12890.64  686.026   ?       ?       308.453 8.3035  ?              ?        
1 1 1 -11 -7  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -7  22 o 102.705 2.4528  1415.85   67.465    1417.82   94.635    1413.82   96.204    102.780 3.4376  102.631 3.4997  0.1492157      4.905580 
1 1 1 -11 -7  23 o 110.985 2.5831  1653.63   76.777    1643.06   107.570   1664.60   109.616   110.625 3.6304  111.345 3.6755  -0.7194977     5.166111 
1 1 1 -11 -7  24 o 85.115  2.2812  974.416   51.886    1032.92   72.610    913.366   74.170    87.739  3.0897  82.491  3.3569  5.248016       4.562321 
1 1 1 -11 -7  25 o 148.675 3.1368  2972.58   124.905   2940.60   175.327   3005.54   177.986   147.864 4.4269  149.485 4.4453  -1.621170      6.273570 
1 1 1 -11 -7  26 o 92.964  2.3963  1160.76   59.639    1163.15   83.114    1158.23   85.627    93.066  3.3342  92.861  3.4426  0.2053833      4.792561 
1 1 1 -11 -7  27 o 80.727  2.2701  887.868   48.314    725.830   69.568    1038.83   67.148    73.485  3.5344  87.969  2.8498  -14.48376      4.540219 
1 1 1 -11 -7  28 o 75.602  2.1726  773.544   43.677    696.899   63.447    842.582   60.216    71.998  3.2900  79.205  2.8384  -7.207367      4.345189 
1 1 1 -11 -7  29 o 86.995  2.2512  1013.68   52.199    1164.90   76.355    880.995   71.523    93.075  3.0628  80.916  3.3001  12.15906       4.502338 
1 1 1 -11 -7  30 o 80.769  2.2025  878.854   47.528    868.935   69.524    887.556   65.120    80.325  3.2314  81.213  2.9937  -0.8881989     4.405005 
1 1 1 -11 -7  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -7  32 o 23.315  2.3014  72.633    13.662    97.582    21.269    55.109    17.825    26.724  3.0246  19.905  3.4695  6.819246       4.602788 
1 1 1 -11 -7  33 f 31.991  2.1187  140.034   17.648    136.344   27.282    142.689   23.142    31.570  3.2739  32.412  2.6900  -0.8418598     4.237306 
1 1 1 -11 -7  34 f 14.347  2.9027  28.204    11.354    30.966    19.094    26.693    14.123    14.920  4.4450  13.773  3.7343  1.147133       5.805449 
1 1 1 -11 -7  35 o 41.385  2.1442  237.803   23.008    210.284   35.379    257.971   30.288    39.165  3.4064  43.605  2.6052  -4.439716      4.288445 
1 1 1 -11 -7  36 o 56.508  2.1621  439.229   32.121    405.426   48.764    465.136   42.691    54.431  3.3612  58.586  2.7205  -4.155258      4.324248 
1 1 1 -11 -7  37 o 14.443  3.0104  30.227    12.514    21.367    20.928    35.157    15.613    13.195  4.6999  15.692  3.7632  -2.496881      6.020857 
1 1 1 -11 -7  38 o 52.713  2.1658  377.992   30.127    401.516   46.620    361.124   39.478    54.044  3.2355  51.383  2.8800  2.660713       4.331598 
1 1 1 -11 -7  39 o 52.123  2.8401  372.651   39.502    0.0000    0.0000    372.651   39.502    ?       ?       52.123  2.8401  ?              ?        
1 1 1 -11 -7  40 o 22.942  2.9233  76.240    16.619    75.840    27.763    76.464    20.746    22.643  4.7300  23.240  3.4365  -0.5964394     5.846585 
1 1 1 -11 -7  41 o 10.188  2.9609  6.6696    12.937    -5.5172   23.006    12.305    15.645    9.7825  4.3548  10.593  4.0130  -0.8100338     5.921872 
1 1 1 -11 -7  42 o 29.342  2.7116  124.538   19.801    124.923   33.232    124.326   24.655    29.029  4.4130  29.654  3.1524  -0.6252823     5.423248 
1 1 1 -11 -7  43 o 9.4839  2.8219  2.6829    12.831    -20.6610  23.668    12.399    15.270    8.5423  4.0204  10.425  3.9610  -1.883142      5.643857 
1 1 1 -11 -7  44 o 36.910  2.5602  189.638   24.045    229.141   41.203    169.238   29.610    39.450  3.9525  34.370  3.2552  5.080379       5.120449 
1 1 1 -11 -7  45 o 10.054  3.1131  -1.5730   14.479    11.650    27.230    -6.7853   17.096    12.037  5.0373  8.0709  3.6594  3.966263       6.226218 
1 1 1 -11 -7  46 o 16.756  4.6740  45.085    21.771    0.0000    0.0000    45.085    21.771    ?       ?       16.756  4.6740  ?              ?        
1 1 1 -11 -7  47 o 14.593  3.5958  34.572    16.513    32.946    30.797    35.228    19.562    14.453  5.5912  14.734  4.5231  -0.2813244     7.191655 
1 1 1 -11 -6  1  o 52.938  1.7398  375.439   24.669    373.396   34.866    377.487   34.907    52.794  2.4656  53.083  2.4551  -0.2884674     3.479534 
1 1 1 -11 -6  2  o 453.049 8.3750  27684.50  1016.04   28410.70  1437.57   26959.65  1436.23   459.027 11.692  447.072 11.994  11.95474       16.75001 
1 1 1 -11 -6  3  o 230.432 4.4114  7125.41   272.220   7285.93   384.816   6964.61   385.137   233.035 6.1652  227.828 6.3113  5.206375       8.822784 
1 1 1 -11 -6  4  o 384.750 7.0737  19917.03  728.972   19927.53  1030.38   19906.50  1031.46   384.853 9.9957  384.647 10.012  0.2059326      14.14730 
1 1 1 -11 -6  5  o 462.827 8.5437  28880.80  1059.12   29085.48  1497.43   28675.91  1498.23   464.480 12.036  461.174 12.129  3.305511       17.08747 
1 1 1 -11 -6  6  o 226.009 4.2819  6852.49   259.207   6809.60   366.090   6895.61   367.060   225.299 6.0665  226.719 6.0445  -1.419785      8.563787 
1 1 1 -11 -6  7  o 263.384 4.9502  9316.75   348.965   9732.92   493.677   8901.14   493.346   269.280 6.8446  257.490 7.1532  11.78992       9.900405 
1 1 1 -11 -6  8  o 392.948 7.2447  20788.67  762.509   20728.13  1078.66   20849.13  1078.05   392.373 10.263  393.523 10.228  -1.150818      14.48948 
1 1 1 -11 -6  9  o 116.079 2.4965  1805.60   77.617    1822.73   110.453   1788.88   109.092   116.623 3.5359  115.536 3.5253  1.087746       4.993006 
1 1 1 -11 -6  10 o 393.343 7.3040  20850.42  769.524   20842.51  1089.28   20858.30  1087.27   393.266 10.341  393.420 10.318  -0.1543579     14.60805 
1 1 1 -11 -6  11 f 238.651 4.5412  7647.86   290.280   7672.51   411.714   7623.49   409.333   239.032 6.4306  238.269 6.4139  0.7631683      9.082415 
1 1 1 -11 -6  12 o 114.984 2.5050  1771.51   77.115    1848.46   110.219   1697.72   107.932   117.431 3.5042  112.538 3.5807  4.892380       5.010023 
1 1 1 -11 -6  13 o 335.096 6.2718  15136.56  562.911   15271.57  797.037   15002.21  795.119   336.594 8.8406  333.598 8.8986  2.995789       12.54356 
1 1 1 -11 -6  14 o 90.943  2.1843  1108.44   53.201    1131.76   75.773    1085.78   74.714    91.887  3.0787  90.000  3.0994  1.886566       4.368585 
1 1 1 -11 -6  15 o 255.885 4.9126  8814.91   336.686   8708.29   476.236   8921.46   476.055   254.330 6.9909  257.441 6.9038  -3.110809      9.825287 
1 1 1 -11 -6  16 o 346.289 6.5045  16227.46  603.025   15642.96  852.261   16813.46  853.352   339.981 9.3590  352.596 9.0357  -12.61511      13.00903 
1 1 1 -11 -6  17 o 37.443  1.8137  188.880   18.070    182.169   25.575    195.569   25.534    36.772  2.6136  38.115  2.5152  -1.342800      3.627314 
1 1 1 -11 -6  18 o 207.475 4.0750  5792.75   226.434   5688.07   319.604   5898.26   320.852   205.586 5.8040  209.365 5.7215  -3.778488      8.150007 
1 1 1 -11 -6  19 o 121.356 2.6842  1977.78   87.202    2038.95   122.798   1915.56   123.853   123.256 3.7196  119.457 3.8708  3.798546       5.368329 
1 1 1 -11 -6  20 o 236.447 4.5652  7539.19   289.121   7536.67   407.970   7541.72   409.794   236.411 6.4427  236.484 6.4696  -0.7240295E-01 9.130402 
1 1 1 -11 -6  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -6  22 o 130.943 2.8621  2303.28   100.367   2309.78   140.883   2296.57   143.022   131.135 4.0110  130.752 4.0838  0.3826294      5.724116 
1 1 1 -11 -6  23 o 185.833 3.7481  4649.60   186.551   4661.32   262.696   4637.68   264.965   186.075 5.2708  185.591 5.3302  0.4835052      7.496138 
1 1 1 -11 -6  24 o 138.368 2.9752  2573.21   110.250   2583.19   154.789   2562.93   157.071   138.645 4.1682  138.091 4.2466  0.5537720      5.950397 
1 1 1 -11 -6  25 f 107.121 2.5261  1543.52   72.358    1476.73   103.836   1606.58   100.887   104.854 3.6972  109.388 3.4433  -4.534081      5.052294 
1 1 1 -11 -6  26 o 52.261  1.9366  363.379   26.595    463.875   39.706    281.616   35.815    58.808  2.5208  45.714  2.9406  13.09368       3.873171 
1 1 1 -11 -6  27 o 247.727 4.8287  8328.65   320.363   8261.56   455.225   8394.48   450.930   246.710 6.8889  248.745 6.7681  -2.034393      9.657331 
1 1 1 -11 -6  28 o 119.850 2.6575  1929.81   85.102    2127.85   122.973   1747.79   117.891   125.757 3.6508  113.942 3.8628  11.81429       5.315077 
1 1 1 -11 -6  29 o 112.412 2.5929  1699.45   78.010    1773.72   113.027   1631.88   107.804   114.752 3.6773  110.072 3.6565  4.680130       5.185854 
1 1 1 -11 -6  30 o 67.054  2.1083  609.628   37.541    558.943   55.344    652.825   51.092    64.427  3.2071  69.680  2.7375  -5.252220      4.216568 
1 1 1 -11 -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -6  32 o 93.047  2.3596  1166.95   58.702    1225.07   86.230    1116.74   80.138    95.188  3.3821  90.905  3.2913  4.283119       4.719218 
1 1 1 -11 -6  33 o 50.472  2.0347  336.617   26.880    445.345   41.338    256.962   35.382    57.453  2.6863  43.490  3.0568  13.96264       4.069417 
1 1 1 -11 -6  34 o 47.813  2.0371  300.860   25.441    403.480   39.597    228.713   33.201    54.644  2.7054  40.983  3.0463  13.66036       4.074210 
1 1 1 -11 -6  35 f 73.240  2.1768  719.680   42.450    831.736   63.897    631.153   56.794    78.294  3.0469  68.185  3.1098  10.10954       4.353657 
1 1 1 -11 -6  36 o 24.334  2.5232  78.516    15.556    106.294   25.376    61.794    19.689    27.694  3.4991  20.975  3.6363  6.718792       5.046437 
1 1 1 -11 -6  37 o 30.736  2.4499  134.642   18.802    116.660   30.374    145.814   23.941    28.820  4.0462  32.651  2.7634  -3.831453      4.899791 
1 1 1 -11 -6  38 o 32.912  2.3927  151.481   20.050    144.894   32.419    155.561   25.515    32.163  3.8390  33.662  2.8569  -1.499168      4.785385 
1 1 1 -11 -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -6  40 o 12.007  3.1897  11.729    13.540    29.604    23.930    3.3117    16.421    14.673  5.0403  9.3406  3.9106  5.332716       6.379463 
1 1 1 -11 -6  41 o 18.050  3.3019  45.168    15.390    63.389    27.122    36.514    18.691    20.412  5.0003  15.688  4.3138  4.723881       6.603893 
1 1 1 -11 -6  42 o 40.906  2.4177  238.212   25.330    235.216   41.259    240.025   32.088    40.380  3.8619  41.433  2.9099  -1.053696      4.835443 
1 1 1 -11 -6  43 o 22.355  3.0864  69.709    17.221    101.389   29.672    53.619    21.146    25.928  4.4319  18.781  4.2967  7.146387       6.172793 
1 1 1 -11 -6  44 o 26.545  2.9739  96.288    19.494    143.876   34.472    73.914    23.637    30.956  4.2713  22.134  4.1392  8.822506       5.947812 
1 1 1 -11 -6  45 f 12.145  3.1840  -1.2338   14.481    49.613    28.284    -19.2982  16.859    17.401  5.4549  6.8888  3.2858  10.51253       6.368034 
1 1 1 -11 -6  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -6  47 o 12.710  3.4521  23.564    16.301    11.888    30.927    28.055    19.182    12.100  5.2247  13.319  4.5135  -1.218562      6.904287 
1 1 1 -11 -5  1  o 96.642  3.2544  1253.04   84.146    1223.93   121.046   1280.27   117.055   95.553  4.7295  97.732  4.4716  -2.179382      6.508770 
1 1 1 -11 -5  2  o 534.407 9.8427  38550.45  1408.65   37727.25  1991.51   39374.67  1992.76   528.654 14.064  540.161 13.773  -11.50653      19.68542 
1 1 1 -11 -5  3  o 284.929 5.3241  10897.96  406.265   11107.55  574.297   10688.00  574.794   287.678 7.4532  282.180 7.6050  5.498047       10.64827 
1 1 1 -11 -5  4  o 321.249 5.9591  13859.21  512.755   13843.38  724.531   13875.09  725.760   321.065 8.4251  321.432 8.4297  -0.3670349     11.91817 
1 1 1 -11 -5  5  o 329.209 7.6631  14682.29  634.745   14280.87  1098.94   14883.26  777.569   325.545 12.603  332.873 8.7211  -7.327911      15.32619 
1 1 1 -11 -5  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -5  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -5  8  o 427.422 15.880  24729.33  1817.97   24729.33  1817.97   0.0000    0.0000    427.422 15.880  ?       ?       ?              ?        
1 1 1 -11 -5  9  o 265.201 5.0229  9441.62   356.761   9318.48   505.519   9563.82   503.560   263.473 7.1633  266.930 7.0431  -3.456268      10.04580 
1 1 1 -11 -5  10 o 102.859 2.2845  1416.80   62.915    1470.02   90.147    1366.26   87.849    104.742 3.2132  100.977 3.2481  3.764755       4.568901 
1 1 1 -11 -5  11 o 60.457  1.8027  489.105   29.174    507.964   42.129    471.729   40.439    61.575  2.5544  59.339  2.5444  2.236694       3.605364 
1 1 1 -11 -5  12 o 63.129  1.8510  533.632   31.288    553.159   44.834    515.093   43.684    64.254  2.6051  62.004  2.6304  2.250484       3.702060 
1 1 1 -11 -5  13 o 154.000 3.1407  3180.71   129.548   3196.04   183.596   3165.51   182.824   154.370 4.4403  153.631 4.4429  0.7390289      6.281368 
1 1 1 -11 -5  14 o 337.444 6.3696  15355.76  575.691   15230.18  814.052   15481.41  814.248   336.055 9.0438  338.834 8.9718  -2.779022      12.73911 
1 1 1 -11 -5  15 o 248.045 4.7469  8277.05   315.353   8153.03   445.592   8401.50   446.363   246.176 6.7578  249.914 6.6682  -3.737991      9.493799 
1 1 1 -11 -5  16 o 167.681 3.3807  3775.29   151.823   3707.22   214.199   3844.03   215.224   166.159 4.8129  169.203 4.7489  -3.044052      6.761341 
1 1 1 -11 -5  17 o 80.530  2.1370  869.630   46.088    876.016   64.744    863.070   65.622    80.831  2.9904  80.230  3.0537  0.6014786      4.274061 
1 1 1 -11 -5  18 o 345.524 6.5255  16181.29  603.921   16086.56  853.111   16276.46  855.039   344.503 9.2454  346.545 9.2116  -2.042511      13.05110 
1 1 1 -11 -5  19 o 202.018 3.9825  5491.96   215.491   5453.49   303.778   5530.93   305.733   201.306 5.6339  202.730 5.6303  -1.424759      7.965024 
1 1 1 -11 -5  20 o 167.254 3.4232  3760.90   153.344   3774.22   215.902   3747.34   217.835   167.557 4.8107  166.951 4.8713  0.6057434      6.846356 
1 1 1 -11 -5  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -5  22 o 118.690 2.6937  1892.37   85.602    1930.95   120.242   1852.71   121.895   119.923 3.7434  117.458 3.8745  2.465492       5.387456 
1 1 1 -11 -5  23 o 96.478  2.3539  1249.14   60.792    1250.43   87.548    1247.94   84.480    96.523  3.3863  96.434  3.2706  0.8899689E-01  4.707893 
1 1 1 -11 -5  24 o 128.460 2.8289  2218.98   97.242    2155.14   139.294   2279.68   135.815   126.646 4.1063  130.275 3.8922  -3.629684      5.657849 
1 1 1 -11 -5  25 o 133.697 2.8626  2400.19   102.438   2532.41   147.025   2275.46   142.805   137.278 3.9986  130.116 4.0975  7.161591       5.725227 
1 1 1 -11 -5  26 o 71.387  2.0935  684.310   39.940    677.937   58.314    689.942   54.816    71.068  3.0634  71.706  2.8541  -0.6371307     4.186916 
1 1 1 -11 -5  27 o 89.242  2.2443  1065.27   53.410    1216.06   78.064    932.560   73.234    95.164  3.0626  83.320  3.2815  11.84402       4.488633 
1 1 1 -11 -5  28 o 152.926 3.2491  3159.85   132.878   3021.91   190.319   3291.03   185.605   149.627 4.7488  156.225 4.4356  -6.598389      6.498106 
1 1 1 -11 -5  29 o 67.031  2.1602  611.708   38.247    542.662   56.395    670.515   52.045    63.418  3.3317  70.643  2.7506  -7.225086      4.320362 
1 1 1 -11 -5  30 o 19.360  2.6139  51.765    12.918    55.165    20.060    49.357    16.884    19.876  3.9072  18.844  3.4732  1.032516       5.227747 
1 1 1 -11 -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -5  32 o 93.803  2.3908  1188.09   59.949    1215.51   88.012    1164.36   81.881    94.788  3.4666  92.818  3.2935  1.970436       4.781674 
1 1 1 -11 -5  33 o 37.568  2.0607  190.251   20.322    201.440   31.647    182.398   26.511    38.471  3.0975  36.665  2.7188  1.805416       4.121485 
1 1 1 -11 -5  34 o 17.498  2.7507  47.171    12.866    23.023    20.123    63.869    16.733    13.473  4.6224  21.522  2.9829  -8.048249      5.501326 
1 1 1 -11 -5  35 o 101.590 2.5116  1402.55   68.186    1472.14   100.645   1343.52   92.702    103.878 3.6172  99.302  3.4853  4.576439       5.023147 
1 1 1 -11 -5  36 o 8.5659  2.5437  -0.3717   9.7884    7.9839    15.883    -5.4886   12.429    10.063  3.9790  7.0689  3.1699  2.993968       5.087307 
1 1 1 -11 -5  37 o 30.264  2.3903  127.927   18.377    121.933   29.619    131.679   23.432    29.536  3.8344  30.991  2.8550  -1.454639      4.780536 
1 1 1 -11 -5  38 o 50.134  2.2755  352.229   29.506    314.461   46.044    378.544   38.434    47.618  3.6376  52.651  2.7348  -5.033428      4.550937 
1 1 1 -11 -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -5  40 f 12.702  3.2452  20.451    14.040    15.471    23.231    23.317    17.623    12.391  4.8387  13.014  4.3257  -0.6225052     6.490364 
1 1 1 -11 -5  41 o 30.421  2.7752  137.504   20.689    117.824   33.940    149.140   26.098    28.185  4.6585  32.658  3.0176  -4.472631      5.550457 
1 1 1 -11 -5  42 o 15.368  3.3539  34.574    14.631    39.351    25.017    32.091    18.037    16.083  5.1408  14.653  4.3088  1.429235       6.707751 
1 1 1 -11 -5  43 o 27.500  2.8799  111.104   19.404    114.731   33.455    109.265   23.819    27.393  4.7306  27.606  3.2858  -0.2127438     5.759811 
1 1 1 -11 -5  44 o 12.355  3.2667  20.124    14.771    3.8248    27.687    26.609    17.465    11.345  4.9209  13.365  4.2978  -2.020555      6.533469 
1 1 1 -11 -5  45 o 29.779  3.1180  135.707   22.536    133.711   38.843    136.720   27.670    28.905  5.2086  30.652  3.4290  -1.746403      6.235931 
1 1 1 -11 -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -5  47 o 23.524  3.5374  83.612    20.294    124.853   37.536    66.577    24.124    26.909  5.3957  20.140  4.5761  6.769543       7.074879 
1 1 1 -11 -4  1  o 480.194 8.7524  31055.47  1125.60   31590.94  1592.57   30520.97  1591.11   484.352 12.276  476.036 12.479  8.316406       17.50471 
1 1 1 -11 -4  2  o 315.735 5.8652  13383.91  495.976   13179.09  701.097   13589.10  701.735   313.311 8.3544  318.159 8.2346  -4.847534      11.73044 
1 1 1 -11 -4  3  o 105.784 2.3342  1499.30   66.130    1504.19   92.931    1494.28   94.124    105.960 3.2744  105.609 3.3274  0.3502045      4.668346 
1 1 1 -11 -4  4  o 321.857 5.9973  13909.36  516.918   13575.17  730.186   14245.11  731.883   317.973 8.5734  325.742 8.3884  -7.769196      11.99454 
1 1 1 -11 -4  5  o 271.141 5.0515  9864.84   366.759   9579.49   518.182   10151.28  519.169   267.205 7.2402  275.078 7.0464  -7.872253      10.10303 
1 1 1 -11 -4  6  o 647.299 11.846  56678.58  2053.36   57995.21  2905.29   55364.49  2902.49   654.882 16.563  639.715 16.939  15.16705       23.69114 
1 1 1 -11 -4  7  o 343.618 6.3251  15861.01  581.988   16320.86  824.298   15403.92  821.819   348.598 8.8282  338.638 9.0605  9.959656       12.65025 
1 1 1 -11 -4  8  o 739.750 19.420  75460.16  3841.28   80606.98  5440.63   70344.39  5424.19   765.616 26.531  713.885 28.367  51.73022       38.84045 
1 1 1 -11 -4  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -4  10 o 321.238 6.0284  13864.89  518.688   13776.17  734.362   13953.21  732.713   320.208 8.5623  322.268 8.4884  -2.059906      12.05678 
1 1 1 -11 -4  11 o 412.506 7.7349  22924.39  854.612   22829.28  1209.00   23019.38  1208.21   411.645 10.965  413.367 10.912  -1.722229      15.46973 
1 1 1 -11 -4  12 o 202.755 3.9617  5515.54   215.141   5572.75   304.425   5458.46   304.085   203.807 5.5766  201.703 5.6285  2.104126       7.923311 
1 1 1 -11 -4  13 o 246.579 4.7077  8166.90   310.909   8083.03   439.477   8250.94   439.908   245.308 6.6886  247.849 6.6265  -2.541565      9.415313 
1 1 1 -11 -4  14 o 74.385  2.0216  741.462   40.278    737.316   56.662    745.698   57.266    74.175  2.8519  74.595  2.8661  -0.4201660     4.043297 
1 1 1 -11 -4  15 o 40.300  1.7740  218.403   19.049    211.709   26.697    225.347   27.189    39.667  2.5258  40.932  2.4918  -1.265186      3.548074 
1 1 1 -11 -4  16 o 269.742 5.1477  9800.52   371.917   9778.38   525.141   9822.80   526.802   269.437 7.2766  270.047 7.2832  -0.6099243     10.29532 
1 1 1 -11 -4  17 o 232.351 4.4886  7266.44   279.297   7089.83   393.970   7444.88   396.010   229.502 6.4090  235.201 6.2861  -5.699051      8.977157 
1 1 1 -11 -4  18 o 193.011 3.8437  5010.51   198.669   5103.06   280.175   4916.92   281.752   194.813 5.3694  191.208 5.5014  3.604935       7.687336 
1 1 1 -11 -4  19 o 45.938  1.8739  283.991   22.946    289.224   32.119    278.537   32.794    46.375  2.5962  45.500  2.7030  0.8757973      3.747861 
1 1 1 -11 -4  20 o 120.381 2.6346  1944.17   84.874    2062.33   121.467   1831.43   118.642   123.959 3.6584  116.804 3.7922  7.154671       5.269231 
1 1 1 -11 -4  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -4  22 o 81.702  2.1326  893.742   46.619    951.845   67.515    840.795   64.449    84.236  2.9923  79.168  3.0393  5.068245       4.265177 
1 1 1 -11 -4  23 o 38.564  2.0474  199.062   19.788    297.798   29.968    122.727   26.350    47.070  2.3847  30.058  3.3288  17.01228       4.094870 
1 1 1 -11 -4  24 o 88.398  2.2489  1046.20   53.186    1114.54   77.266    984.666   73.320    91.136  3.1653  85.660  3.1956  5.476158       4.497872 
1 1 1 -11 -4  25 o 142.470 2.9861  2726.56   113.775   2942.51   163.303   2522.86   158.605   147.960 4.1206  136.979 4.3229  10.98109       5.972154 
1 1 1 -11 -4  26 o 88.941  2.2598  1059.53   53.772    1120.78   78.298    1004.85   73.976    91.368  3.1994  86.515  3.1924  4.853737       4.519638 
1 1 1 -11 -4  27 o 20.143  2.5307  56.781    12.925    52.517    20.010    59.833    16.930    19.407  3.9829  20.880  3.1232  -1.472454      5.061420 
1 1 1 -11 -4  28 o 93.046  2.3690  1165.82   58.906    1134.02   85.550    1194.48   81.230    91.824  3.4783  94.269  3.2170  -2.445023      4.737960 
1 1 1 -11 -4  29 o 45.077  2.0604  276.234   24.451    259.632   36.842    289.302   32.687    43.822  3.1599  46.332  2.6448  -2.509857      4.120721 
1 1 1 -11 -4  30 o 53.899  2.1436  402.689   29.957    320.314   44.574    470.547   40.456    48.629  3.4444  59.170  2.5527  -10.54121      4.287229 
1 1 1 -11 -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -4  32 o 51.806  2.0663  365.617   28.238    341.685   42.532    384.482   37.761    50.193  3.1800  53.419  2.6391  -3.226749      4.132502 
1 1 1 -11 -4  33 o 80.683  2.2840  882.159   49.117    874.707   72.982    888.329   66.406    80.325  3.3922  81.040  3.0592  -0.7147980     4.567909 
1 1 1 -11 -4  34 o 20.399  2.6236  57.265    13.557    64.041    21.751    52.961    17.336    21.335  3.9517  19.462  3.4520  1.873123       5.247135 
1 1 1 -11 -4  35 o 49.231  2.0861  327.415   27.113    346.531   41.814    313.547   35.615    50.422  3.1113  48.040  2.7797  2.382641       4.172130 
1 1 1 -11 -4  36 o 19.803  2.8134  51.869    14.029    74.034    23.652    39.837    17.426    22.899  4.0019  16.706  3.9556  6.193594       5.626851 
1 1 1 -11 -4  37 o 32.167  2.3678  143.693   19.456    140.191   31.392    145.877   24.791    31.711  3.7697  32.622  2.8662  -0.9111996     4.735596 
1 1 1 -11 -4  38 o 63.413  2.2227  543.750   37.393    603.344   57.925    501.171   48.962    66.297  3.2620  60.529  3.0200  5.768147       4.445345 
1 1 1 -11 -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -4  40 o 25.158  2.8796  86.288    17.967    110.138   31.305    74.573    21.941    27.506  4.3972  22.810  3.7194  4.696339       5.759239 
1 1 1 -11 -4  41 o 26.515  2.8412  99.246    18.684    112.354   32.153    92.564    22.957    27.557  4.5123  25.473  3.4539  2.084633       5.682446 
1 1 1 -11 -4  42 o 44.725  2.4980  288.930   28.490    272.033   46.259    299.254   36.162    43.228  4.0422  46.223  2.9360  -2.994461      4.995932 
1 1 1 -11 -4  43 o 31.737  2.7160  136.057   21.641    191.665   37.907    109.173   26.358    36.121  3.9844  27.352  3.6920  8.769009       5.431974 
1 1 1 -11 -4  44 o 16.490  3.5320  43.264    16.329    38.737    30.165    45.141    19.420    15.837  5.6423  17.144  4.2502  -1.307075      7.064004 
1 1 1 -11 -4  45 o 22.745  3.5183  75.106    19.567    107.920   36.080    61.435    23.289    25.680  5.4159  19.811  4.4925  5.869781       7.036638 
1 1 1 -11 -4  46 o 18.893  5.9678  63.759    33.789    63.759    33.789    0.0000    0.0000    18.893  5.9678  ?       ?       ?              ?        
1 1 1 -11 -4  47 o 33.564  2.9676  162.863   24.759    232.064   44.519    131.875   29.791    37.995  4.4593  29.134  3.9169  8.860901       5.935226 
1 1 1 -11 -3  1  o 225.469 4.3454  6817.68   262.376   6664.83   371.076   6970.50   371.035   222.939 6.2142  228.000 6.0756  -5.061417      8.690798 
1 1 1 -11 -3  2  o 310.218 5.8344  12916.97  484.782   12837.25  685.166   12996.89  686.006   309.258 8.2715  311.178 8.2306  -1.920471      11.66880 
1 1 1 -11 -3  3  o 262.333 4.8937  9230.85   343.842   9112.96   485.550   9349.45   486.984   260.651 6.9548  264.016 6.8865  -3.364502      9.787386 
1 1 1 -11 -3  4  o 395.020 7.2639  20970.84  768.461   21357.51  1086.76   20584.16  1086.78   398.674 10.177  391.365 10.367  7.309174       14.52782 
1 1 1 -11 -3  5  o 262.710 4.9308  9258.08   346.945   9158.28   490.960   9357.64   490.350   261.294 7.0150  264.127 6.9311  -2.833557      9.861591 
1 1 1 -11 -3  6  o 200.551 3.8184  5391.48   205.103   5476.81   291.064   5307.33   289.066   202.128 5.3762  198.974 5.4239  3.153671       7.636882 
1 1 1 -11 -3  7  o 505.189 9.3036  34381.69  1258.90   34284.47  1781.50   34478.66  1779.20   504.470 13.184  505.909 13.130  -1.439026      18.60714 
1 1 1 -11 -3  8  o 197.435 3.7945  5225.54   200.641   5335.59   284.847   5117.17   282.665   199.500 5.3306  195.371 5.4016  4.128601       7.589011 
1 1 1 -11 -3  9  o 255.628 4.9046  8767.41   335.805   8717.91   475.541   8816.64   474.263   254.906 6.9650  256.349 6.9071  -1.443298      9.809141 
1 1 1 -11 -3  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -3  11 o 235.811 4.5309  7461.03   286.182   7460.85   404.657   7461.20   404.787   235.808 6.4068  235.813 6.4087  -0.5447388E-02 9.061897 
1 1 1 -11 -3  12 o 106.745 2.4357  1526.93   69.639    1520.93   98.142    1533.00   98.830    106.534 3.4393  106.956 3.4498  -0.4216766     4.871357 
1 1 1 -11 -3  13 o 230.139 4.4411  7110.53   273.761   7103.16   386.510   7117.96   387.806   230.019 6.2735  230.258 6.2880  -0.2382965     8.882289 
1 1 1 -11 -3  14 o 537.146 10.010  39221.69  1439.92   40019.59  2036.19   38423.54  2036.51   542.693 14.008  531.598 14.303  11.09473       20.01965 
1 1 1 -11 -3  15 o 266.714 5.0870  9571.70   363.377   9696.60   513.202   9446.11   514.586   268.468 7.1368  264.959 7.2509  3.509735       10.17398 
1 1 1 -11 -3  16 o 404.858 7.5871  22219.23  822.745   22302.67  1162.80   22135.58  1164.27   405.631 10.702  404.084 10.757  1.547058       15.17425 
1 1 1 -11 -3  17 o 88.519  2.6260  1024.23   59.334    967.245   72.630    1138.56   102.877   84.932  3.1927  92.106  4.1700  -7.174843      5.251921 
1 1 1 -11 -3  18 o 200.475 3.9274  5406.58   210.842   5307.55   299.391   5504.02   296.975   198.643 5.6270  202.308 5.4805  -3.665771      7.854846 
1 1 1 -11 -3  19 o 56.132  1.8461  421.347   27.515    493.484   40.212    357.839   37.730    60.675  2.4743  51.589  2.7403  9.085526       3.692105 
1 1 1 -11 -3  20 o 247.970 4.7980  8300.54   318.500   8021.29   451.776   8576.47   449.088   243.785 6.9188  252.155 6.6493  -8.370026      9.595956 
1 1 1 -11 -3  21 o 29.179  3.9958  116.460   30.409    0.0000    0.0000    116.460   30.409    ?       ?       29.179  3.9958  ?              ?        
1 1 1 -11 -3  22 o 302.805 5.7802  12431.44  468.726   12207.06  664.531   12653.61  661.238   300.043 8.2688  305.567 8.0791  -5.524048      11.56048 
1 1 1 -11 -3  23 o 72.223  2.0991  698.417   40.554    725.050   59.194    674.858   55.673    73.516  3.0061  70.929  2.9305  2.587250       4.198113 
1 1 1 -11 -3  24 o 69.855  2.0642  651.430   38.316    775.191   56.236    544.199   52.346    76.023  2.7617  63.686  3.0687  12.33725       4.128393 
1 1 1 -11 -3  25 o 88.809  2.2793  1057.39   54.169    1085.77   78.678    1031.81   74.689    89.938  3.2661  87.680  3.1803  2.257957       4.558667 
1 1 1 -11 -3  26 o 127.081 2.7905  2169.15   94.942    2240.59   136.725   2102.62   131.939   129.099 3.9540  125.063 3.9387  4.036026       5.581005 
1 1 1 -11 -3  27 o 50.463  1.9580  338.745   26.216    399.363   39.226    289.811   35.243    54.550  2.6846  46.377  2.8510  8.173641       3.916053 
1 1 1 -11 -3  28 o 34.860  2.0773  159.335   18.729    217.633   29.224    118.704   24.397    40.165  2.7327  29.555  3.1295  10.60971       4.154668 
1 1 1 -11 -3  29 o 45.301  2.0488  274.886   24.520    292.607   37.628    261.808   32.326    46.548  3.0346  44.054  2.7533  2.494450       4.097528 
1 1 1 -11 -3  30 o 90.190  2.3426  1093.30   56.479    1139.59   83.077    1053.51   77.014    91.950  3.3732  88.429  3.2515  3.520943       4.685175 
1 1 1 -11 -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -3  32 o 22.465  2.3721  68.223    13.547    76.913    21.961    62.886    17.211    23.568  3.5924  21.361  3.0986  2.207401       4.744110 
1 1 1 -11 -3  33 f 40.445  2.0782  222.062   22.038    223.648   34.198    220.936   28.821    40.520  3.1764  40.370  2.6807  0.1498337      4.156382 
1 1 1 -11 -3  34 o 25.770  2.3499  88.228    15.525    114.020   24.852    71.723    19.881    28.799  3.2803  22.740  3.3657  6.058754       4.699837 
1 1 1 -11 -3  35 o 60.581  2.1374  495.176   34.338    526.607   52.591    471.819   45.336    62.167  3.1689  58.995  2.8691  3.171700       4.274755 
1 1 1 -11 -3  36 o 44.507  2.2639  277.745   25.947    239.499   40.265    304.905   33.932    41.667  3.6446  47.348  2.6867  -5.681408      4.527809 
1 1 1 -11 -3  37 o 18.955  3.0144  53.569    14.580    43.562    24.105    59.342    18.309    17.366  4.9445  20.544  3.4495  -3.177452      6.028885 
1 1 1 -11 -3  38 o 57.720  2.2510  456.353   34.140    470.927   53.430    446.297   44.383    58.372  3.4325  57.069  2.9133  1.303265       4.502094 
1 1 1 -11 -3  39 o 47.282  3.8147  314.007   47.899    314.007   47.899    0.0000    0.0000    47.282  3.8147  ?       ?       ?              ?        
1 1 1 -11 -3  40 o 18.204  3.2359  42.228    15.476    76.831    27.671    26.479    18.668    22.723  4.7015  13.685  4.4475  9.038014       6.471845 
1 1 1 -11 -3  41 o 6.6032  2.2593  -19.0040  10.529    -30.2140  21.167    -15.3185  12.137    7.3761  3.5600  5.8303  2.7828  1.545871       4.518576 
1 1 1 -11 -3  42 o 18.961  3.3315  60.522    17.361    33.377    29.583    74.781    21.441    15.274  5.5684  22.648  3.6591  -7.374721      6.663054 
1 1 1 -11 -3  43 o 20.632  3.4525  59.186    17.757    92.380    32.661    45.258    21.156    24.159  5.2012  17.105  4.5416  7.054264       6.904945 
1 1 1 -11 -3  44 o 16.394  3.6638  41.359    17.050    45.960    31.003    39.364    20.414    16.881  5.7379  15.907  4.5574  0.9738083      7.327610 
1 1 1 -11 -3  45 o 26.683  3.6034  120.183   22.745    97.921    40.458    130.470   27.503    23.548  6.2939  29.818  3.5109  -6.269924      7.206885 
1 1 1 -11 -3  46 f 13.879  2.9969  30.016    16.863    -36.1543  32.531    54.327    19.719    9.1215  4.4051  18.637  4.0646  -9.515493      5.993817 
1 1 1 -11 -2  1  o 108.544 2.4057  1579.77   69.829    1472.78   98.524    1687.77   98.984    104.847 3.5083  112.241 3.2925  -7.394699      4.811325 
1 1 1 -11 -2  2  o 395.309 7.3956  21005.40  782.694   20234.99  1105.79   21778.91  1108.01   388.020 10.640  402.598 10.275  -14.57870      14.79117 
1 1 1 -11 -2  3  o 345.115 6.3557  15993.24  587.358   15561.01  829.907   16427.02  831.395   340.431 9.1015  349.798 8.8736  -9.366913      12.71131 
1 1 1 -11 -2  4  o 308.439 5.7114  12766.77  471.845   12755.04  667.694   12778.47  666.885   308.297 8.0857  308.581 8.0685  -0.2844543     11.42277 
1 1 1 -11 -2  5  o 492.535 8.9749  32654.23  1183.98   32379.82  1675.24   32928.09  1673.55   490.456 12.752  494.614 12.632  -4.158478      17.94986 
1 1 1 -11 -2  6  f 227.028 4.3209  6911.26   262.736   6861.26   372.624   6960.69   370.513   226.209 6.1500  227.846 6.0712  -1.636566      8.641827 
1 1 1 -11 -2  7  o 504.778 9.3135  34318.21  1259.22   34452.59  1781.88   34184.17  1779.74   505.769 13.153  503.787 13.189  1.981812       18.62706 
1 1 1 -11 -2  8  o 310.852 5.8214  12971.41  484.645   13203.74  686.102   12740.03  684.685   313.636 8.1672  308.068 8.2976  5.567871       11.64278 
1 1 1 -11 -2  9  o 368.209 6.8630  18219.91  676.792   18520.96  957.369   17919.17  956.888   371.259 9.6275  365.158 9.7834  6.101288       13.72604 
1 1 1 -11 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -2  11 o 252.523 5.9931  8644.60   379.767   8794.98   464.465   8341.28   659.636   256.009 6.7734  249.038 9.8889  6.971115       11.98628 
1 1 1 -11 -2  12 o 451.626 8.3811  27510.33  1013.81   27732.71  1433.17   27287.60  1434.32   453.467 11.799  449.785 11.906  3.682129       16.76220 
1 1 1 -11 -2  13 o 385.754 7.1804  20052.11  741.896   19957.39  1048.39   20147.12  1050.02   384.837 10.171  386.670 10.138  -1.832520      14.36074 
1 1 1 -11 -2  14 o 452.053 10.341  27781.18  1179.66   27761.10  1444.77   27821.33  2043.25   452.970 11.908  451.135 16.909  1.834351       20.68154 
1 1 1 -11 -2  15 o 183.866 3.6303  4538.40   178.771   4503.76   253.907   4572.46   251.748   183.167 5.1753  184.566 5.0924  -1.398514      7.260651 
1 1 1 -11 -2  16 o 93.991  2.2462  1183.68   56.532    1217.86   81.086    1151.35   78.858    95.310  3.1763  92.671  3.1770  2.639442       4.492414 
1 1 1 -11 -2  17 o 243.117 4.6585  7959.16   303.293   7806.62   430.118   8110.01   427.733   240.784 6.6691  245.451 6.5061  -4.666260      9.317007 
1 1 1 -11 -2  18 o 84.301  2.1665  954.412   48.842    918.794   70.212    987.810   67.987    82.771  3.1670  85.831  2.9573  -3.060020      4.333042 
1 1 1 -11 -2  19 o 223.362 4.3690  6725.09   261.171   6443.38   370.633   7002.94   368.084   218.681 6.3277  228.043 6.0262  -9.361877      8.738080 
1 1 1 -11 -2  20 o 110.861 2.5090  1647.89   74.411    1766.10   106.855   1536.59   103.684   114.722 3.4774  107.000 3.6178  7.722252       5.018036 
1 1 1 -11 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -2  22 o 47.745  1.9193  308.690   24.261    281.448   35.649    332.190   33.111    45.713  2.9269  49.776  2.4835  -4.062328      3.838531 
1 1 1 -11 -2  23 o 166.627 3.4271  3735.07   152.924   3729.10   218.330   3740.81   214.262   166.489 4.8960  166.765 4.7968  -0.2764893     6.854187 
1 1 1 -11 -2  24 o 21.432  2.4785  62.273    13.203    96.919    20.184    36.360    17.455    26.727  2.8640  16.137  4.0459  10.59007       4.957014 
1 1 1 -11 -2  25 o 185.833 3.7399  4654.75   186.084   4584.82   265.574   4722.20   260.815   184.442 5.3757  187.223 5.2010  -2.780518      7.479870 
1 1 1 -11 -2  26 o 69.915  2.1102  658.946   39.302    622.878   57.690    690.184   53.689    68.112  3.1622  71.718  2.7949  -3.605347      4.220323 
1 1 1 -11 -2  27 o 73.584  2.1180  723.847   41.647    779.469   61.452    676.599   56.638    76.185  3.0114  70.982  2.9790  5.202957       4.235926 
1 1 1 -11 -2  28 o 47.129  1.9800  292.121   24.470    381.166   37.616    226.797   32.219    53.279  2.6359  40.979  2.9552  12.30040       3.959962 
1 1 1 -11 -2  29 o 25.564  2.3060  88.790    15.242    92.967    23.670    85.832    19.923    26.046  3.4799  25.082  3.0266  0.9638348      4.611916 
1 1 1 -11 -2  30 o 70.269  2.2236  675.111   41.153    592.606   61.108    743.584   55.670    66.196  3.4585  74.341  2.7958  -8.144417      4.447188 
1 1 1 -11 -2  31 o 56.477  2.4155  436.784   35.683    458.126   46.921    407.509   54.953    58.210  3.0197  54.743  3.7708  3.467884       4.830925 
1 1 1 -11 -2  32 o 27.606  2.1942  102.110   15.744    118.132   24.773    91.252    20.393    29.389  3.1987  25.823  3.0045  3.566061       4.388449 
1 1 1 -11 -2  33 o 32.066  2.2170  141.763   18.388    134.025   28.608    147.211   24.003    31.233  3.4789  32.900  2.7491  -1.666842      4.433939 
1 1 1 -11 -2  34 o 107.234 2.6261  1565.92   75.247    1605.88   110.863   1531.78   102.462   108.445 3.8167  106.022 3.6081  2.423309       5.252200 
1 1 1 -11 -2  35 o 54.135  2.1356  393.911   30.506    433.976   47.536    365.858   39.778    56.409  3.1589  51.862  2.8748  4.547779       4.271203 
1 1 1 -11 -2  36 o 29.356  2.6308  126.750   18.765    95.791    29.983    146.684   24.059    25.953  4.4748  32.759  2.7678  -6.806303      5.261607 
1 1 1 -11 -2  37 o 55.161  2.2189  414.413   32.200    434.358   50.314    400.576   41.906    56.187  3.3586  54.135  2.9007  2.051941       4.437799 
1 1 1 -11 -2  38 o 57.408  2.2645  447.739   34.155    491.178   54.080    418.917   44.052    59.593  3.4022  55.223  2.9893  4.369514       4.528935 
1 1 1 -11 -2  39 o 30.008  2.6952  128.387   20.206    125.153   33.513    130.234   25.328    29.442  4.3834  30.575  3.1373  -1.133224      5.390415 
1 1 1 -11 -2  40 o 25.290  2.9657  94.088    18.495    89.723    30.792    96.552    23.132    24.475  4.8684  26.105  3.3882  -1.629799      5.931391 
1 1 1 -11 -2  41 o 48.557  2.4753  338.185   30.750    319.715   49.857    349.523   39.064    47.062  3.9929  50.052  2.9266  -2.990089      4.950575 
1 1 1 -11 -2  42 o 27.958  2.7646  102.599   18.939    170.676   33.085    69.422    23.097    34.377  3.6489  21.538  4.1542  12.83901       5.529223 
1 1 1 -11 -2  43 o 10.479  3.1327  1.2350    13.888    19.189    26.293    -5.7124   16.356    12.930  5.1173  8.0284  3.6151  4.901245       6.265488 
1 1 1 -11 -2  44 o 11.042  3.2095  10.750    14.151    7.7341    27.062    11.885    16.602    11.606  4.9468  10.478  4.0908  1.128614       6.419082 
1 1 1 -11 -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -2  46 o 11.186  3.1782  13.589    15.474    -15.9987  30.632    23.726    17.930    9.8833  4.6266  12.489  4.3587  -2.605260      6.356387 
1 1 1 -11 -1  1  o 255.578 5.0182  8766.28   343.222   8330.43   484.999   9203.55   485.781   249.201 7.2661  261.955 6.9235  -12.75383      10.03647 
1 1 1 -11 -1  2  o 374.808 6.9578  18869.97  698.487   19023.04  987.534   18716.74  988.085   376.333 9.7969  373.282 9.8825  3.051636       13.91562 
1 1 1 -11 -1  3  o 182.396 3.5133  4459.11   171.629   4411.25   243.201   4506.59   242.242   181.420 5.0049  183.372 4.9321  -1.952057      7.026645 
1 1 1 -11 -1  4  o 473.827 8.6943  30207.78  1103.38   29927.10  1561.24   30487.88  1559.60   471.617 12.359  476.038 12.232  -4.420868      17.38856 
1 1 1 -11 -1  5  o 854.150 15.665  99188.40  3583.81   98799.65  5068.96   99576.94  5067.59   852.449 22.200  855.850 22.106  -3.401001      31.32959 
1 1 1 -11 -1  6  o 290.599 5.4769  11331.95  426.201   11644.89  603.797   11021.20  601.687   294.605 7.6518  286.594 7.8382  8.010986       10.95383 
1 1 1 -11 -1  7  o 399.145 7.4614  21413.70  797.639   21730.23  1128.43   21097.61  1127.63   402.104 10.477  396.187 10.626  5.916351       14.92279 
1 1 1 -11 -1  8  o 224.392 4.3657  6752.98   262.337   6908.96   370.797   6596.65   371.204   226.990 6.0987  221.794 6.2485  5.196609       8.731446 
1 1 1 -11 -1  9  o 114.642 2.5278  1760.83   77.617    1749.70   109.194   1772.20   110.349   114.276 3.5674  115.008 3.5822  -0.7320786     5.055565 
1 1 1 -11 -1  10 o 332.225 6.2177  14825.48  553.277   14714.27  781.645   14937.16  783.260   330.974 8.8171  333.477 8.7690  -2.502777      12.43533 
1 1 1 -11 -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -1  12 o 524.454 9.6294  37183.26  1352.22   38348.29  1914.24   36022.87  1910.41   532.726 13.415  516.181 13.818  16.54443       19.25880 
1 1 1 -11 -1  13 o 344.907 6.4299  16010.48  594.011   16078.73  841.183   15942.59  838.938   345.641 9.0861  344.172 9.1005  1.469055       12.85984 
1 1 1 -11 -1  14 f 117.277 2.5851  1843.58   81.194    1856.15   115.869   1831.45   113.810   117.670 3.6763  116.885 3.6352  0.7844391      5.170146 
1 1 1 -11 -1  15 o 149.690 3.0772  3005.46   123.312   3142.10   175.671   2872.74   173.136   153.047 4.2853  146.333 4.4173  6.714615       6.154396 
1 1 1 -11 -1  16 o 177.266 3.5173  4219.74   166.868   4446.76   237.427   3998.15   234.573   181.988 4.8708  172.545 5.0756  9.442474       7.034631 
1 1 1 -11 -1  17 o 166.701 3.4756  3748.29   154.350   3318.19   219.151   4171.65   217.428   157.142 5.2067  176.260 4.6055  -19.11812      6.951253 
1 1 1 -11 -1  18 o 164.300 3.3660  3628.61   148.051   3529.87   210.699   3724.90   208.076   162.081 4.8534  166.519 4.6652  -4.438324      6.731954 
1 1 1 -11 -1  19 o 166.885 3.3658  3742.74   150.272   3990.62   214.338   3503.10   210.741   172.334 4.6434  161.437 4.8737  10.89676       6.731575 
1 1 1 -11 -1  20 o 123.331 2.7536  2046.07   90.789    1936.40   129.900   2150.81   126.942   120.082 4.0387  126.580 3.7441  -6.497620      5.507236 
1 1 1 -11 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -1  22 o 175.655 3.6071  4154.79   169.600   4037.10   241.816   4268.73   237.932   173.186 5.2129  178.123 4.9871  -4.936707      7.214251 
1 1 1 -11 -1  23 o 92.646  2.3440  1155.22   57.988    1095.41   83.926    1209.86   80.216    90.335  3.4686  94.957  3.1539  -4.621147      4.688057 
1 1 1 -11 -1  24 o 178.328 3.5943  4279.51   171.638   4415.16   245.315   4149.43   240.232   181.100 5.0573  175.556 5.1089  5.543701       7.188655 
1 1 1 -11 -1  25 o 14.868  2.6282  28.813    10.751    45.967    16.775    16.856    14.006    18.187  3.5711  11.550  3.8570  6.637295       5.256319 
1 1 1 -11 -1  26 o 62.585  2.0303  524.374   33.920    541.162   50.379    510.453   45.877    63.494  2.9623  61.675  2.7772  1.819271       4.060520 
1 1 1 -11 -1  27 o 12.505  2.7681  20.386    10.198    23.936    15.872    17.889    13.309    13.323  4.0716  11.687  3.7511  1.636684       5.536136 
1 1 1 -11 -1  28 o 41.306  2.0641  230.578   22.422    229.297   34.374    231.527   29.581    41.178  3.1402  41.433  2.6798  -0.2550888     4.128238 
1 1 1 -11 -1  29 o 13.363  2.8588  24.126    10.976    24.783    17.197    23.675    14.258    13.602  4.2517  13.125  3.8229  0.4776878      5.717587 
1 1 1 -11 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -1  31 o 34.551  2.0832  162.052   18.763    162.630   29.375    161.654   24.386    34.559  3.2101  34.544  2.6560  0.1470566E-01  4.166426 
1 1 1 -11 -1  32 o 11.406  2.7753  16.263    10.090    13.441    16.860    17.837    12.595    11.270  4.1874  11.541  3.6433  -0.2705135     5.550538 
1 1 1 -11 -1  33 o 59.437  2.1605  479.432   34.004    477.066   51.598    481.249   45.211    59.217  3.2657  59.657  2.8294  -0.4403877     4.320918 
1 1 1 -11 -1  34 o 87.399  2.3932  1033.45   55.793    1102.95   83.623    977.695   74.902    89.997  3.4690  84.801  3.2976  5.196564       4.786309 
1 1 1 -11 -1  35 o 76.982  2.2707  796.596   46.513    904.300   70.817    714.882   61.684    81.488  3.2446  72.477  3.1775  9.010628       4.541331 
1 1 1 -11 -1  36 o 22.251  2.9761  73.715    16.200    59.865    27.165    81.359    20.182    20.281  5.0262  24.221  3.1883  -3.939987      5.952131 
1 1 1 -11 -1  37 o 50.642  2.2494  349.073   29.868    371.691   47.198    333.964   38.575    51.903  3.4141  49.381  2.9296  2.522003       4.498716 
1 1 1 -11 -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 -1  39 o 46.350  2.3592  298.881   28.269    302.668   45.708    296.534   35.974    46.371  3.7111  46.328  2.9139  0.4324341E-01  4.718361 
1 1 1 -11 -1  40 o 6.9833  2.2917  -14.3877  10.882    -50.3480  21.178    -1.4873   12.685    6.3663  3.1668  7.6002  3.3135  -1.233939      4.583409 
1 1 1 -11 -1  41 o 10.305  3.0288  7.0551    13.250    -3.8742   25.065    11.294    15.609    10.279  4.5623  10.330  3.9850  -0.5137825E-01 6.057595 
1 1 1 -11 -1  42 o 30.649  3.0788  147.125   22.147    119.582   38.066    161.220   27.231    27.546  5.3521  33.753  3.0448  -6.207397      6.157590 
1 1 1 -11 -1  43 o 16.960  3.5086  36.915    16.306    72.561    30.531    22.688    19.287    21.187  5.3723  12.732  4.5143  8.454339       7.017190 
1 1 1 -11 -1  44 o 17.588  3.6168  38.520    17.539    85.541    33.576    20.875    20.568    22.724  5.5616  12.451  4.6253  10.27264       7.233560 
1 1 1 -11 -1  45 o 15.091  7.0310  2.3631    69.394    2.3631    69.394    0.0000    0.0000    15.091  7.0310  ?       ?       ?              ?        
1 1 1 -11 -1  46 o 11.944  3.4588  16.301    15.838    21.668    31.536    14.491    18.315    13.042  5.4362  10.847  4.2780  2.194409       6.917649 
1 1 1 -11 0   1  o 283.523 5.4141  10785.84  411.096   10591.02  581.585   10980.39  581.171   280.959 7.7283  286.086 7.5843  -5.127686      10.82812 
1 1 1 -11 0   2  o 241.636 4.5347  7830.56   293.388   8091.82   415.685   7571.24   414.147   245.657 6.3175  237.615 6.5072  8.042130       9.069403 
1 1 1 -11 0   3  o 431.372 7.9377  25017.01  917.108   24792.94  1297.60   25240.66  1296.37   429.434 11.281  433.310 11.170  -3.876587      15.87542 
1 1 1 -11 0   4  o 342.461 6.3527  15746.18  582.620   16114.57  825.188   15380.00  822.715   346.464 8.8921  338.458 9.0752  8.005676       12.70549 
1 1 1 -11 0   5  o 322.810 5.9958  13986.58  518.419   14004.26  733.691   13968.95  732.620   323.014 8.4801  322.607 8.4784  0.4073486      11.99152 
1 1 1 -11 0   6  o 454.400 8.4560  27779.57  1028.97   28434.00  1455.38   27125.50  1454.99   459.775 11.818  449.025 12.098  10.75043       16.91202 
1 1 1 -11 0   7  o 415.858 9.4025  23219.23  988.478   23073.22  1210.42   23511.56  1712.69   414.285 10.908  417.432 15.318  -3.147369      18.80505 
1 1 1 -11 0   8  o 295.538 5.5322  11732.54  437.141   12580.18  619.594   10892.44  616.837   306.197 7.5547  284.879 8.0839  21.31815       11.06450 
1 1 1 -11 0   9  o 392.422 7.2398  20700.93  760.900   21055.16  1077.20   20348.18  1074.95   395.784 10.161  389.061 10.315  6.723114       14.47958 
1 1 1 -11 0   10 o 372.348 6.9875  18656.14  695.814   17466.45  983.996   19845.99  984.064   360.418 10.193  384.277 9.5607  -23.85916      13.97506 
1 1 1 -11 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 0   12 o 322.494 6.1764  14012.40  531.766   12706.97  751.923   15318.57  752.138   307.377 9.1330  337.611 8.3175  -30.23364      12.35282 
1 1 1 -11 0   13 o 240.419 4.6048  7761.01   296.517   7857.19   420.445   7665.83   418.242   241.903 6.4890  238.935 6.5352  2.968307       9.209570 
1 1 1 -11 0   14 o 208.376 4.1202  5838.56   229.521   5441.00   325.373   6232.33   323.817   201.285 6.0350  215.466 5.6109  -14.18085      8.240368 
1 1 1 -11 0   15 o 183.476 3.6015  4526.46   176.266   5042.28   250.998   4024.53   247.592   193.827 4.8347  173.124 5.3394  20.70378       7.202988 
1 1 1 -11 0   16 o 175.317 3.5007  4126.92   164.352   4250.26   233.867   4006.57   231.017   177.909 4.9077  172.725 4.9934  5.183609       7.001442 
1 1 1 -11 0   17 o 238.181 4.5516  7639.21   290.167   8011.15   412.167   7273.73   408.574   243.955 6.3077  232.407 6.5634  11.54781       9.103103 
1 1 1 -11 0   18 o 155.766 3.2205  3259.55   134.337   3236.17   191.528   3282.18   188.472   155.210 4.6070  156.321 4.5013  -1.110291      6.441026 
1 1 1 -11 0   19 o 185.361 3.7409  4627.29   185.487   4392.29   263.823   4857.01   260.840   180.676 5.4516  190.045 5.1242  -9.369537      7.481812 
1 1 1 -11 0   20 o 111.716 2.6181  1685.04   77.851    1496.27   111.533   1864.41   108.718   105.561 3.9447  117.870 3.4436  -12.30935      5.236263 
1 1 1 -11 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 0   22 o 82.704  2.2112  917.623   48.917    919.677   71.088    915.775   67.415    82.788  3.2058  82.620  3.0464  0.1680679      4.422399 
1 1 1 -11 0   23 o 80.033  2.1918  858.886   46.923    869.622   68.329    849.305   64.551    80.503  3.1689  79.564  3.0290  0.9392776      4.383671 
1 1 1 -11 0   24 o 110.840 2.5823  1648.76   76.611    1679.24   110.809   1620.85   106.036   111.817 3.6998  109.864 3.6034  1.953209       5.164605 
1 1 1 -11 0   25 o 21.315  2.6166  72.223    13.575    25.793    20.335    109.543   18.231    14.152  4.6439  28.479  2.4128  -14.32677      5.233298 
1 1 1 -11 0   26 o 91.458  2.3812  1128.63   58.063    1054.48   84.417    1195.20   79.988    88.577  3.5581  94.338  3.1656  -5.760132      4.762441 
1 1 1 -11 0   27 o 30.304  2.1528  126.629   16.879    111.668   25.491    138.310   22.525    28.621  3.3912  31.988  2.6529  -3.367254      4.305583 
1 1 1 -11 0   28 o 78.377  2.2237  824.179   46.563    853.342   68.781    799.506   63.265    79.645  3.2242  77.109  3.0632  2.536461       4.447310 
1 1 1 -11 0   29 o 28.935  2.4334  122.666   17.000    81.882    26.161    152.477   22.366    24.278  4.1734  33.593  2.5038  -9.314524      4.866864 
1 1 1 -11 0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 0   31 o 44.689  2.0694  272.857   24.256    255.986   36.989    285.584   32.128    43.410  3.2038  45.967  2.6203  -2.556744      4.138866 
1 1 1 -11 0   32 o 83.462  2.3272  940.609   51.841    979.926   77.220    908.350   69.947    85.015  3.3911  81.910  3.1882  3.105583       4.654475 
1 1 1 -11 0   33 o 40.408  2.2752  229.694   23.428    193.335   36.796    254.482   30.383    37.493  3.7129  43.323  2.6308  -5.829628      4.550431 
1 1 1 -11 0   34 o 15.603  3.0189  34.966    12.837    30.779    20.885    37.509    16.273    14.958  4.6871  16.248  3.8060  -1.290632      6.037801 
1 1 1 -11 0   35 o 25.266  2.5318  84.830    16.253    111.377   26.629    69.069    20.519    28.321  3.5911  22.211  3.5699  6.109735       5.063605 
1 1 1 -11 0   36 o 79.540  2.3732  859.959   50.183    916.923   76.664    817.252   66.380    81.750  3.5011  77.329  3.2048  4.421249       4.746480 
1 1 1 -11 0   37 o 50.397  2.2419  343.683   29.591    381.180   47.265    319.512   37.948    52.536  3.3768  48.258  2.9500  4.277962       4.483878 
1 1 1 -11 0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 0   39 o 39.462  2.4675  215.974   24.931    230.498   41.411    207.717   31.223    40.273  3.8873  38.652  3.0404  1.621380       4.935095 
1 1 1 -11 0   40 o 17.212  3.4208  44.727    15.686    44.012    28.303    45.044    18.846    17.017  5.4711  17.408  4.1080  -0.3911629     6.841678 
1 1 1 -11 0   41 o 39.414  2.5862  222.259   25.685    226.572   43.430    219.938   31.854    39.293  4.1912  39.534  3.0312  -0.2416649     5.172490 
1 1 1 -11 0   42 o 18.386  3.4720  52.780    16.670    52.572    29.766    52.875    20.121    18.064  5.5850  18.707  4.1264  -0.6425648     6.944018 
1 1 1 -11 0   43 o 16.384  3.2072  46.346    16.727    7.5859    30.192    63.510    20.092    12.094  5.1916  20.673  3.7673  -8.579111      6.414409 
1 1 1 -11 0   44 o 10.052  3.1507  0.2718    15.005    0.0747    29.608    0.3400    17.406    11.179  4.9603  8.9244  3.8864  2.254864       6.301477 
1 1 1 -11 0   45 o 21.105  3.7298  63.915    19.542    111.902   37.802    46.414    22.829    25.440  5.6901  16.770  4.8237  8.670237       7.459588 
1 1 1 -11 1   1  o 371.057 8.7422  18866.52  810.638   17552.98  1404.79   19522.28  992.570   360.865 14.534  381.248 9.7200  -20.38333      17.48449 
1 1 1 -11 1   2  o 688.598 12.865  64144.66  2372.80   63718.82  3355.63   64570.50  3355.67   686.289 18.255  690.907 18.133  -4.617554      25.73027 
1 1 1 -11 1   3  o 302.071 5.7128  12244.03  462.196   12407.77  655.699   12082.33  651.609   304.081 8.0506  300.062 8.1075  4.018402       11.42555 
1 1 1 -11 1   4  o 123.014 2.6377  2028.16   86.673    2228.42   123.856   1835.98   121.331   128.969 3.5855  117.059 3.8697  11.90942       5.275425 
1 1 1 -11 1   5  o 512.141 9.4213  35326.20  1291.90   36457.29  1828.45   34198.61  1825.61   520.372 13.118  503.910 13.526  16.46112       18.84255 
1 1 1 -11 1   6  f 142.718 2.9593  2736.36   112.536   3078.95   159.972   2400.71   158.341   151.589 3.9399  133.847 4.4167  17.74181       5.918630 
1 1 1 -11 1   7  o 468.615 8.6320  29551.25  1083.46   29588.83  1532.95   29513.73  1531.55   468.914 12.205  468.317 12.210  0.5961914      17.26390 
1 1 1 -11 1   8  o 127.986 2.7670  2199.97   94.579    2016.01   134.239   2381.31   133.278   122.658 4.0860  133.314 3.7324  -10.65674      5.534088 
1 1 1 -11 1   9  f 349.682 6.5055  16425.87  609.305   16576.49  862.590   16275.88  860.787   351.286 9.1676  348.078 9.2327  3.207367       13.01106 
1 1 1 -11 1   10 o 232.570 4.4449  7254.94   276.870   7369.01   392.525   7142.00   390.589   234.391 6.2523  230.748 6.3196  3.642487       8.889816 
1 1 1 -11 1   11 o 379.190 9.9825  19428.60  1013.81   19731.73  1437.06   19128.25  1430.45   382.153 14.039  376.227 14.195  5.926117       19.96506 
1 1 1 -11 1   12 o 295.922 5.6155  11773.98  444.754   11259.47  629.610   12286.43  628.348   289.443 8.1212  302.401 7.7576  -12.95853      11.23095 
1 1 1 -11 1   13 o 431.653 8.0753  25177.50  933.055   24159.29  1319.88   26194.64  1319.19   422.850 11.654  440.456 11.182  -17.60614      16.15062 
1 1 1 -11 1   14 o 134.509 2.8378  2431.54   101.560   2792.73   145.174   2085.35   142.128   144.324 3.7554  124.693 4.2555  19.63065       5.675596 
1 1 1 -11 1   15 o 49.331  1.9359  336.209   24.628    245.722   35.558    419.637   34.143    42.699  3.1309  55.962  2.2778  -13.26303      3.871840 
1 1 1 -11 1   16 o 178.327 3.5626  4271.37   170.158   4284.96   242.086   4258.09   239.218   178.605 5.0604  178.049 5.0161  0.5561066      7.125234 
1 1 1 -11 1   17 o 145.030 3.0639  2826.32   118.926   2733.20   169.592   2916.41   166.816   142.669 4.4380  147.392 4.2255  -4.722397      6.127829 
1 1 1 -11 1   18 o 204.553 4.0135  5630.51   219.887   5642.15   312.685   5619.12   309.278   204.757 5.7014  204.348 5.6505  0.4096069      8.027078 
1 1 1 -11 1   19 o 111.426 2.5136  1664.93   74.731    1871.07   107.646   1473.16   103.828   118.088 3.4033  104.764 3.7001  13.32403       5.027250 
1 1 1 -11 1   20 o 131.311 2.8315  2314.15   99.554    2398.03   142.748   2234.72   138.911   133.628 3.9883  128.995 4.0205  4.633133       5.663065 
1 1 1 -11 1   21 o 87.810  3.1267  1036.41   73.304    1059.98   107.056   1015.61   100.581   88.685  4.5219  86.935  4.3195  1.750038       6.253449 
1 1 1 -11 1   22 o 92.084  2.4061  1144.80   58.995    1041.21   85.415    1239.29   81.581    88.064  3.6211  96.104  3.1693  -8.040268      4.812140 
1 1 1 -11 1   23 o 134.337 2.9565  2427.77   106.253   2358.29   152.632   2493.10   148.003   132.456 4.3021  136.217 4.0565  -3.760864      5.913000 
1 1 1 -11 1   24 o 91.616  2.3441  1127.22   57.418    1119.42   83.624    1134.19   78.978    91.309  3.4192  91.924  3.2077  -0.6141357     4.688290 
1 1 1 -11 1   25 o 166.195 3.3867  3717.13   150.589   3971.34   216.172   3477.46   209.898   171.729 4.6997  160.662 4.8776  11.06654       6.773309 
1 1 1 -11 1   26 o 87.465  2.2625  1021.91   52.712    1186.07   77.509    880.666   71.898    93.973  3.0794  80.957  3.3157  13.01588       4.525072 
1 1 1 -11 1   27 o 69.269  2.2337  655.641   40.705    566.564   60.277    730.317   55.190    64.801  3.4856  73.737  2.7944  -8.936226      4.467434 
1 1 1 -11 1   28 o 89.160  2.3835  1073.17   56.685    1035.00   83.180    1106.26   77.455    87.651  3.5430  90.669  3.1894  -3.017921      4.767064 
1 1 1 -11 1   29 o 63.942  2.1688  557.556   36.571    503.624   54.641    601.318   49.220    61.028  3.3556  66.857  2.7486  -5.829105      4.337619 
1 1 1 -11 1   30 o 56.639  2.4569  442.643   36.230    481.770   47.795    389.795   55.547    59.775  2.9852  53.503  3.9030  6.272461       4.913750 
1 1 1 -11 1   31 o 39.715  2.0586  213.008   21.531    221.325   33.101    206.909   28.348    40.355  3.0858  39.075  2.7256  1.279873       4.117163 
1 1 1 -11 1   32 o 51.259  2.0887  353.885   28.376    379.728   43.136    334.171   37.674    52.878  3.0587  49.641  2.8453  3.236446       4.177498 
1 1 1 -11 1   33 o 36.457  2.1573  173.910   20.181    248.904   32.048    124.630   25.979    42.794  2.8116  30.120  3.2728  12.67458       4.314662 
1 1 1 -11 1   34 o 58.406  2.1699  461.228   33.494    488.688   51.672    441.329   43.986    59.843  3.2357  56.969  2.8921  2.874184       4.339860 
1 1 1 -11 1   35 o 27.488  2.4378  102.196   17.219    118.392   27.832    92.154    21.916    29.178  3.6404  25.798  3.2434  3.379827       4.875648 
1 1 1 -11 1   36 o 18.134  3.0666  46.825    14.283    50.110    23.713    44.955    17.893    18.553  4.7511  17.714  3.8786  0.8390999      6.133276 
1 1 1 -11 1   37 o 15.008  4.1058  32.507    16.983    0.0000    0.0000    32.507    16.983    ?       ?       15.008  4.1058  ?              ?        
1 1 1 -11 1   38 o 57.839  2.3715  464.203   35.783    469.889   56.869    460.476   46.040    57.912  3.6854  57.765  2.9858  0.1465340      4.743098 
1 1 1 -11 1   39 o 24.755  3.0667  88.976    18.494    92.484    32.253    87.258    22.574    24.763  5.0342  24.747  3.5035  0.1612663E-01  6.133332 
1 1 1 -11 1   40 o 48.071  2.5569  336.643   31.181    299.216   50.308    359.992   39.734    45.351  4.1888  50.790  2.9332  -5.438984      5.113701 
1 1 1 -11 1   41 o 36.797  2.6052  189.833   24.403    217.163   41.330    175.205   30.237    38.497  4.0699  35.098  3.2534  3.398945       5.210447 
1 1 1 -11 1   42 o 18.644  3.6452  56.111    18.114    50.585    33.095    58.474    21.645    17.672  5.9288  19.617  4.2427  -1.945690      7.290486 
1 1 1 -11 1   43 o 29.038  3.2213  127.557   22.512    133.439   39.990    124.829   27.237    28.830  5.3765  29.246  3.5497  -0.4168625     6.442626 
1 1 1 -11 1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 1   45 o 14.383  3.7015  33.854    17.846    26.239    34.834    36.563    20.780    13.857  5.7393  14.910  4.6759  -1.053108      7.402956 
1 1 1 -11 2   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 2   2  o 135.467 3.2253  2321.16   112.042   2944.04   195.849   2018.13   136.604   148.211 4.9335  122.724 4.1557  25.48663       6.450516 
1 1 1 -11 2   3  o 515.610 9.5155  35811.27  1313.58   37049.19  1859.03   34576.93  1856.33   524.559 13.231  506.662 13.679  17.89713       19.03095 
1 1 1 -11 2   4  o 459.680 8.4961  28440.03  1045.20   27079.20  1477.46   29803.32  1478.80   448.619 12.296  470.742 11.728  -22.12302      16.99227 
1 1 1 -11 2   5  o 526.675 9.7090  37374.26  1369.23   36326.97  1936.06   38422.25  1936.72   519.249 13.920  534.101 13.538  -14.85187      19.41795 
1 1 1 -11 2   6  o 596.490 11.030  48031.86  1761.49   46444.39  2490.47   49620.98  2491.76   586.550 15.852  606.430 15.340  -19.88007      22.05942 
1 1 1 -11 2   7  o 248.939 4.7148  8314.68   314.118   8723.40   445.205   7909.53   443.262   255.041 6.5172  242.836 6.8149  12.20453       9.429549 
1 1 1 -11 2   8  o 269.366 5.0908  9734.95   367.262   9914.50   520.257   9556.60   518.522   271.845 7.1451  266.886 7.2536  4.958862       10.18167 
1 1 1 -11 2   9  o 447.728 8.3397  27002.50  999.189   25655.74  1412.87   28349.99  1413.26   436.495 12.085  458.961 11.496  -22.46582      16.67945 
1 1 1 -11 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 2   11 o 449.346 8.3369  27222.79  1003.36   26945.70  1419.79   27499.24  1418.14   447.044 11.857  451.647 11.723  -4.602722      16.67386 
1 1 1 -11 2   12 o 173.654 3.4686  4044.72   161.198   4265.29   229.267   3829.08   226.692   178.341 4.7996  168.966 5.0090  9.375534       6.937249 
1 1 1 -11 2   13 o 232.127 4.4531  7237.21   276.765   7504.04   392.862   6974.31   389.962   236.385 6.2049  227.870 6.3892  8.514999       8.906301 
1 1 1 -11 2   14 o 86.079  2.1822  993.374   50.285    986.627   72.208    999.727   70.068    85.794  3.1423  86.364  3.0290  -0.5703354     4.364465 
1 1 1 -11 2   15 o 144.639 3.0648  2813.27   118.459   2619.60   168.697   3001.67   166.381   139.706 4.5082  149.572 4.1530  -9.866074      6.129563 
1 1 1 -11 2   16 o 56.599  1.9280  433.869   28.894    380.430   41.821    482.673   39.966    53.187  2.9471  60.011  2.4864  -6.823475      3.855908 
1 1 1 -11 2   17 o 119.169 2.6219  1904.15   83.563    2055.01   119.934   1761.82   116.491   123.758 3.6181  114.579 3.7958  9.178864       5.243899 
1 1 1 -11 2   18 o 107.162 2.4662  1539.05   70.572    1711.15   101.740   1379.46   97.973    112.936 3.3633  101.388 3.6077  11.54830       4.932308 
1 1 1 -11 2   19 o 92.474  2.3107  1147.85   57.168    1135.05   82.583    1159.63   79.218    91.975  3.3522  92.974  3.1811  -0.9990540     4.621325 
1 1 1 -11 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 2   21 o 175.815 3.5920  4162.06   169.049   4062.30   241.327   4258.17   236.878   173.727 5.1862  177.902 4.9711  -4.175140      7.183925 
1 1 1 -11 2   22 o 261.312 5.0975  9244.21   356.459   8851.94   506.416   9629.42   501.834   255.747 7.3928  266.878 7.0203  -11.13185      10.19502 
1 1 1 -11 2   23 o 44.788  1.9584  265.816   22.875    353.496   34.544    197.335   30.528    51.343  2.5119  38.233  3.0053  13.11008       3.916825 
1 1 1 -11 2   24 o 78.188  2.1687  815.399   45.249    919.796   66.795    726.860   61.513    82.787  3.0123  73.588  3.1208  9.198746       4.337433 
1 1 1 -11 2   25 o 102.896 2.4673  1419.36   67.915    1488.71   99.129    1358.01   93.235    105.257 3.5161  100.535 3.4624  4.721268       4.934666 
1 1 1 -11 2   26 o 101.151 2.4852  1374.56   67.220    1398.51   98.300    1353.54   92.128    101.967 3.5992  100.334 3.4281  1.632698       4.970490 
1 1 1 -11 2   27 o 72.092  2.2142  701.502   42.481    672.946   63.017    725.289   57.514    70.723  3.3267  73.460  2.9230  -2.737450      4.428419 
1 1 1 -11 2   28 o 55.650  2.0933  420.113   30.789    395.882   46.255    439.392   41.258    54.130  3.2046  57.170  2.6943  -3.040131      4.186698 
1 1 1 -11 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 2   30 o 7.5007  2.2418  -1.3399   8.3385    -15.6371  14.080    6.3837    10.349    6.5568  3.0904  8.4446  3.2483  -1.887864      4.483511 
1 1 1 -11 2   31 o 35.649  2.1208  172.597   19.683    174.907   31.036    171.043   25.458    35.795  3.2734  35.503  2.6973  0.2921448      4.241522 
1 1 1 -11 2   32 o 14.313  2.7809  30.130    11.314    17.732    18.534    37.495    14.284    12.301  4.4185  16.325  3.3781  -4.023965      5.561893 
1 1 1 -11 2   33 o 39.467  2.1557  210.309   22.277    225.434   35.094    200.101   28.831    40.599  3.2546  38.336  2.8278  2.262794       4.311447 
1 1 1 -11 2   34 o 13.976  2.9301  23.207    12.121    43.431    20.005    11.476    15.236    17.409  4.3124  10.543  3.9681  6.866014       5.860286 
1 1 1 -11 2   35 o 28.681  2.5834  115.140   18.574    112.823   30.693    116.478   23.330    28.279  4.1780  29.083  3.0399  -0.8038273     5.166868 
1 1 1 -11 2   36 o 42.143  2.3285  246.397   25.267    240.030   40.715    250.384   32.222    41.531  3.6988  42.754  2.8298  -1.222908      4.657094 
1 1 1 -11 2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 2   38 o 56.139  2.4107  438.206   35.199    449.208   56.507    431.230   44.995    56.468  3.7575  55.811  3.0212  0.6575546      4.821459 
1 1 1 -11 2   39 o 8.3125  2.6742  -16.3933  11.979    6.2071    22.264    -25.6031  14.212    10.892  4.5561  5.7333  2.8014  5.158261       5.348475 
1 1 1 -11 2   40 o 15.844  3.2003  41.223    15.733    11.665    27.979    54.890    19.025    12.390  5.1389  19.298  3.8159  -6.907937      6.400694 
1 1 1 -11 2   41 o 23.110  3.2924  78.041    18.615    93.928    33.191    70.752    22.483    24.414  5.2329  21.805  3.9969  2.608931       6.584723 
1 1 1 -11 2   42 o 31.229  2.9505  139.790   22.832    163.977   40.088    128.176   27.778    32.756  4.7041  29.702  3.5627  3.053446       5.900964 
1 1 1 -11 2   43 o 17.192  3.6443  50.905    18.735    29.219    34.469    59.999    22.320    14.709  5.8473  19.674  4.3511  -4.964565      7.288545 
1 1 1 -11 2   44 o 9.5604  2.9754  0.3051    14.744    -26.6981  29.445    9.3405    17.033    9.1175  4.3471  10.003  4.0637  -0.8857689     5.950713 
1 1 1 -11 3   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 3   2  f 178.322 3.5278  4261.96   168.499   4256.44   238.641   4267.45   237.947   178.207 4.9996  178.438 4.9786  -0.2308197     7.055613 
1 1 1 -11 3   3  o 155.379 3.1754  3237.48   132.038   3088.89   187.031   3385.12   186.431   151.820 4.5993  158.938 4.3793  -7.118134      6.350735 
1 1 1 -11 3   4  o 225.453 4.3688  6821.47   263.487   6432.32   372.883   7209.56   372.373   219.018 6.3563  231.889 5.9953  -12.87129      8.737605 
1 1 1 -11 3   5  o 99.768  2.4004  1345.99   63.339    1106.73   89.940    1581.41   89.213    90.886  3.6946  108.649 3.0656  -17.76352      4.800810 
1 1 1 -11 3   6  o 237.327 4.5582  7557.10   289.571   7260.95   410.052   7851.70   408.980   232.680 6.5795  241.974 6.3102  -9.294128      9.116365 
1 1 1 -11 3   7  o 217.463 4.2090  6341.37   245.120   6191.33   346.072   6492.42   347.235   214.879 6.0129  220.047 5.8914  -5.168243      8.418040 
1 1 1 -11 3   8  o 260.276 5.0401  9089.95   351.340   9217.93   496.525   8961.62   497.214   262.115 7.0723  258.438 7.1829  3.677124       10.08024 
1 1 1 -11 3   9  o 278.085 5.3426  10380.05  397.944   10368.88  562.309   10391.26  563.248   277.935 7.5534  278.234 7.5579  -0.2994080     10.68529 
1 1 1 -11 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 3   11 o 160.184 3.2320  3440.39   138.663   3467.79   195.696   3412.76   196.504   160.826 4.5429  159.542 4.5984  1.283310       6.464032 
1 1 1 -11 3   12 o 292.328 5.5324  11491.53  433.144   11658.40  612.250   11324.32  612.869   294.462 7.7627  290.194 7.8848  4.267792       11.06475 
1 1 1 -11 3   13 o 192.343 3.7768  4966.42   194.559   5029.94   274.786   4902.56   275.512   193.579 5.2997  191.106 5.3824  2.473557       7.553597 
1 1 1 -11 3   14 o 135.179 2.8838  2451.81   104.390   2503.99   147.279   2399.14   147.984   136.628 4.0245  133.730 4.1314  2.896988       5.767581 
1 1 1 -11 3   15 o 280.623 5.3707  10618.03  403.679   10681.83  570.532   10554.07  571.245   281.474 7.5675  279.772 7.6231  1.702118       10.74143 
1 1 1 -11 3   16 o 176.257 3.4798  4174.19   164.275   4124.46   231.894   4224.28   232.747   175.201 4.9416  177.314 4.9006  -2.112411      6.959550 
1 1 1 -11 3   17 o 191.118 3.7640  4912.95   192.663   4981.83   272.161   4843.76   272.772   192.468 5.2793  189.769 5.3664  2.698822       7.527948 
1 1 1 -11 3   18 o 105.387 2.4207  1491.15   68.284    1548.47   96.299    1433.18   96.838    107.430 3.3466  103.345 3.4984  4.085487       4.841353 
1 1 1 -11 3   19 o 252.819 4.8541  8631.44   328.652   8803.04   464.570   8459.53   464.998   255.356 6.7923  250.282 6.9364  5.074646       9.708158 
1 1 1 -11 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 3   21 o 25.908  2.0921  92.112    14.039    107.406   19.718    76.384    19.995    28.177  2.6435  23.639  3.2434  4.538290       4.184224 
1 1 1 -11 3   22 o 74.768  2.0811  750.091   41.668    761.363   58.674    738.621   59.185    75.336  2.9077  74.199  2.9780  1.136696       4.162116 
1 1 1 -11 3   23 o 156.786 3.2360  3307.75   135.857   3392.70   191.965   3222.51   192.297   158.813 4.5128  154.759 4.6390  4.053925       6.471972 
1 1 1 -11 3   24 o 88.773  2.2241  1058.12   52.880    1070.07   74.552    1046.03   75.017    89.280  3.1176  88.267  3.1730  1.012604       4.448298 
1 1 1 -11 3   25 o 43.962  1.8764  260.923   21.936    277.241   30.710    243.925   31.344    45.384  2.5364  42.539  2.7659  2.845047       3.752848 
1 1 1 -11 3   26 o 77.251  2.1241  801.936   43.924    764.768   61.760    839.980   62.483    75.435  3.0566  79.067  2.9504  -3.631844      4.248270 
1 1 1 -11 3   27 o 70.117  2.5562  643.443   44.663    719.230   80.903    610.222   53.565    72.872  4.1622  67.363  2.9687  5.509239       5.112443 
1 1 1 -11 3   28 o 44.833  2.0064  267.964   23.793    302.150   36.445    242.571   31.410    47.295  2.8908  42.372  2.7831  4.922943       4.012776 
1 1 1 -11 3   29 o 51.053  3.1791  353.043   43.256    353.043   43.256    0.0000    0.0000    51.053  3.1791  ?       ?       ?              ?        
1 1 1 -11 3   30 o 23.487  2.5980  81.171    14.819    59.913    23.647    94.921    19.017    20.582  4.4212  26.392  2.7296  -5.809551      5.195930 
1 1 1 -11 3   31 o 16.248  2.7941  35.900    11.883    46.162    19.081    29.399    15.187    18.052  4.0463  14.443  3.8542  3.609485       5.588127 
1 1 1 -11 3   32 o 37.308  2.1696  186.276   21.121    209.549   33.791    171.354   27.058    39.152  3.2517  35.463  2.8733  3.689255       4.339256 
1 1 1 -11 3   33 o 66.501  2.2165  594.485   39.169    653.060   60.156    551.373   51.609    69.279  3.2418  63.723  3.0237  5.556538       4.433094 
1 1 1 -11 3   34 o 70.183  2.2732  662.854   42.357    738.754   65.399    608.008   55.593    73.556  3.3194  66.810  3.1066  6.746323       4.546390 
1 1 1 -11 3   35 o 33.235  2.6637  163.977   21.468    116.576   33.692    196.374   27.854    28.578  4.5545  37.892  2.7635  -9.314486      5.327307 
1 1 1 -11 3   36 o 27.131  2.9082  108.869   19.003    91.996    32.009    118.053   23.614    25.068  4.9428  29.194  3.0657  -4.125216      5.816308 
1 1 1 -11 3   37 o 23.153  3.0241  73.776    17.488    94.890    29.683    62.550    21.643    25.520  4.5074  20.786  4.0329  4.733631       6.048192 
1 1 1 -11 3   38 o 9.4813  2.6465  -21.6427  11.337    29.159    21.264    -41.8173  13.400    14.332  4.7510  4.6306  2.3333  9.701246       5.293056 
1 1 1 -11 3   39 o 57.622  2.4768  470.072   36.979    471.309   59.544    469.296   47.181    57.306  3.9025  57.938  3.0510  -0.6311989     4.953591 
1 1 1 -11 3   40 o 22.447  3.3086  82.952    18.349    58.565    31.440    95.550    22.597    19.083  5.7082  25.811  3.3474  -6.728317      6.617270 
1 1 1 -11 3   41 o 43.858  2.5883  270.633   28.943    305.802   49.216    252.041   35.785    45.608  4.0716  42.108  3.1967  3.500942       5.176571 
1 1 1 -11 3   42 o 17.303  3.7064  49.490    18.332    38.543    34.218    53.897    21.711    15.940  5.9569  18.667  4.4120  -2.727392      7.412860 
1 1 1 -11 3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 3   44 o 18.884  3.8785  62.104    19.744    62.877    37.266    61.803    23.280    18.263  6.2890  19.505  4.5410  -1.241924      7.757044 
1 1 1 -11 4   1  o 248.582 5.7376  8239.47   362.132   8459.70   624.219   8127.75   444.595   250.989 9.2852  246.174 6.7427  4.814865       11.47517 
1 1 1 -11 4   2  o 565.393 10.416  43105.74  1577.34   43083.21  2230.42   43128.29  2230.97   565.245 14.732  565.542 14.728  -0.2966919     20.83125 
1 1 1 -11 4   3  o 285.013 5.3486  10899.10  408.301   10998.64  577.127   10799.36  577.724   286.318 7.5255  283.707 7.6026  2.610962       10.69729 
1 1 1 -11 4   4  o 13.243  3.5926  15.232    17.962    10.713    25.393    19.758    25.411    12.610  5.0169  13.875  5.1436  -1.265079      7.185136 
1 1 1 -11 4   5  o 150.460 3.1155  3033.80   125.538   2965.74   177.119   3102.51   177.959   148.763 4.4451  152.156 4.3666  -3.393280      6.231040 
1 1 1 -11 4   6  o 243.752 4.6411  7969.87   302.958   8134.38   428.222   7805.01   428.673   246.274 6.4917  241.229 6.6345  5.045212       9.282185 
1 1 1 -11 4   7  o 312.950 5.8806  13149.15  492.929   13183.21  696.774   13115.02  697.440   313.357 8.3016  312.543 8.3312  0.8142395      11.76122 
1 1 1 -11 4   8  o 448.308 8.2653  27060.59  992.480   27155.27  1403.28   26965.83  1403.88   449.097 11.666  447.519 11.712  1.578644       16.53059 
1 1 1 -11 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 4   10 o 318.547 5.9547  13639.20  508.064   13564.96  718.036   13713.63  718.988   317.676 8.4386  319.417 8.4038  -1.740967      11.90940 
1 1 1 -11 4   11 o 103.295 2.3967  1429.98   66.309    1431.32   93.421    1428.62   94.134    103.344 3.3750  103.246 3.4040  0.9828949E-01  4.793469 
1 1 1 -11 4   12 o 183.799 3.6072  4533.13   177.582   4508.77   250.712   4557.67   251.567   183.303 5.1064  184.294 5.0963  -0.9919891     7.214400 
1 1 1 -11 4   13 o 61.568  1.8529  507.897   30.539    485.177   42.863    531.319   43.521    60.170  2.6596  62.967  2.5805  -2.797436      3.705717 
1 1 1 -11 4   14 o 99.324  2.3716  1322.81   63.093    1315.19   88.862    1330.55   89.596    99.036  3.3499  99.612  3.3581  -0.5760422     4.743270 
1 1 1 -11 4   15 o 211.732 4.1728  6031.89   236.599   6161.14   334.300   5902.18   334.904   214.016 5.8318  209.448 5.9697  4.568008       8.345520 
1 1 1 -11 4   16 o 84.055  2.1143  947.362   47.587    914.968   66.937    980.464   67.665    82.601  3.0255  85.509  2.9544  -2.907974      4.228688 
1 1 1 -11 4   17 o 77.690  2.0317  809.261   42.271    789.870   59.397    829.162   60.171    76.747  2.8894  78.634  2.8569  -1.886894      4.063313 
1 1 1 -11 4   18 o 86.430  2.1774  1002.15   50.402    1010.33   70.937    993.804   71.626    86.787  3.0516  86.072  3.1068  0.7151260      4.354851 
1 1 1 -11 4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 4   20 o 132.890 2.8950  2372.55   103.045   2374.01   145.327   2371.08   146.132   132.933 4.0815  132.848 4.1068  0.8488464E-01  5.790052 
1 1 1 -11 4   21 o 299.665 5.7303  12179.92  459.938   12114.34  649.974   12245.68  650.928   298.850 8.1200  300.480 8.0878  -1.630707      11.46062 
1 1 1 -11 4   22 o 109.713 2.5321  1616.40   74.406    1622.97   104.818   1609.73   105.640   109.939 3.5596  109.487 3.6023  0.4527359      5.064275 
1 1 1 -11 4   23 o 75.709  2.1096  769.370   42.770    779.939   60.181    758.583   60.796    76.236  2.9472  75.181  3.0191  1.054749       4.219109 
1 1 1 -11 4   24 o 69.678  2.0108  651.529   37.525    641.240   52.618    662.177   53.530    69.119  2.8421  70.238  2.8453  -1.119156      4.021657 
1 1 1 -11 4   25 o 125.880 2.7879  2133.56   93.996    2148.57   132.612   2118.41   133.251   126.329 3.9191  125.431 3.9662  0.8976440      5.575880 
1 1 1 -11 4   26 o 70.049  2.0745  659.550   38.906    633.351   54.740    686.295   55.307    68.640  2.9774  71.459  2.8896  -2.819168      4.149041 
1 1 1 -11 4   27 o 103.029 2.4845  1431.82   68.513    1488.42   96.649    1374.64   97.138    105.092 3.4335  100.965 3.5919  4.126511       4.969004 
1 1 1 -11 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 4   29 o 41.521  1.9136  233.569   21.138    244.739   29.722    222.136   30.069    42.544  2.6210  40.498  2.7890  2.046463       3.827281 
1 1 1 -11 4   30 o 16.617  2.4437  39.087    10.569    51.157    15.117    27.546    14.781    19.224  3.0368  14.010  3.8295  5.213777       4.887480 
1 1 1 -11 4   31 o 45.382  1.8926  279.028   22.891    266.814   31.939    291.928   32.824    44.353  2.7013  46.411  2.6514  -2.057976      3.785126 
1 1 1 -11 4   32 o 69.347  2.0932  652.548   38.848    679.757   54.762    624.982   55.119    70.824  2.8867  67.870  3.0321  2.954597       4.186473 
1 1 1 -11 4   33 o 64.328  2.2241  557.009   37.970    607.919   58.648    520.272   49.820    66.786  3.2785  61.870  3.0063  4.916161       4.448194 
1 1 1 -11 4   34 o 33.926  2.5757  167.021   21.481    134.797   34.945    186.594   27.234    30.898  4.3422  36.953  2.7717  -6.054626      5.151420 
1 1 1 -11 4   35 o 32.460  2.5159  149.861   20.501    135.176   33.301    158.822   26.014    30.925  4.1231  33.994  2.8843  -3.069191      5.031748 
1 1 1 -11 4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 4   37 f 33.933  2.8016  172.112   22.969    138.376   38.048    191.454   28.810    30.694  4.7839  37.172  2.9171  -6.477501      5.603134 
1 1 1 -11 4   38 o 9.2525  2.8023  -5.7765   11.575    15.060    21.977    -13.7754  13.616    12.036  4.7045  6.4691  3.0461  5.566672       5.604519 
1 1 1 -11 4   39 o 24.289  3.1246  87.333    18.585    91.167    32.116    85.402    22.788    24.285  5.0997  24.293  3.6120  -0.8926392E-02 6.249266 
1 1 1 -11 4   40 o 36.051  2.6807  183.379   24.441    208.489   41.792    170.327   30.130    37.549  4.2290  34.553  3.2955  2.995625       5.361430 
1 1 1 -11 4   41 o 7.1696  2.4220  -19.4587  12.546    -45.4050  24.312    -10.0405  14.648    7.2460  3.5655  7.0932  3.2790  0.1528263      4.844007 
1 1 1 -11 4   42 o 27.780  3.5706  128.833   23.124    104.592   41.398    139.827   27.878    24.545  6.2733  31.015  3.4124  -6.470222      7.141291 
1 1 1 -11 4   43 o 23.056  3.7516  84.922    20.967    100.054   39.503    78.987    24.739    23.606  6.1765  22.505  4.2600  1.100521       7.503136 
1 1 1 -11 5   1  o 502.693 9.2401  34031.39  1244.07   33624.59  1758.87   34438.66  1759.90   499.670 13.142  505.715 12.993  -6.044434      18.48019 
1 1 1 -11 5   2  o 433.616 7.9251  25284.04  920.448   25324.92  1301.89   25243.20  1301.53   433.967 11.200  433.264 11.215  0.7031250      15.85022 
1 1 1 -11 5   3  f 130.389 2.7793  2278.17   97.057    2316.75   137.359   2239.70   137.159   131.492 3.9000  129.287 3.9608  2.205841       5.558603 
1 1 1 -11 5   4  o 33.533  1.6434  151.869   14.582    170.489   20.653    133.359   20.592    35.610  2.1757  31.456  2.4637  4.153837       3.286874 
1 1 1 -11 5   5  o 137.360 2.8582  2528.41   105.150   2557.60   148.578   2499.12   148.832   138.154 4.0151  136.565 4.0688  1.589706       5.716353 
1 1 1 -11 5   6  o 410.637 7.6321  22679.44  839.443   22583.74  1186.85   22775.23  1187.45   409.767 10.814  411.507 10.773  -1.740112      15.26427 
1 1 1 -11 5   7  o 106.471 2.4039  1518.83   68.552    1502.56   96.696    1535.27   97.201    105.898 3.4090  107.044 3.3902  -1.146744      4.807775 
1 1 1 -11 5   8  o 256.995 6.9460  8885.87   477.957   9105.95   673.193   8662.16   678.706   260.223 9.6584  253.768 9.9852  6.455856       13.89203 
1 1 1 -11 5   9  o 381.796 8.7691  19736.94  844.204   19863.19  1034.54   19485.32  1460.49   384.136 10.055  379.457 14.370  4.678925       17.53817 
1 1 1 -11 5   10 o 55.746  3.3739  480.941   41.939    288.179   73.021    575.826   51.231    45.938  6.0843  65.555  2.9177  -19.61708      6.747760 
1 1 1 -11 5   11 o 323.011 6.0165  14047.75  520.529   13957.37  735.728   14138.34  736.550   321.966 8.5314  324.056 8.4858  -2.089691      12.03301 
1 1 1 -11 5   12 o 144.414 3.0022  2797.65   116.124   2814.64   163.945   2780.54   164.505   144.855 4.2255  143.972 4.2659  0.8822632      6.004383 
1 1 1 -11 5   13 o 127.322 2.7170  2174.48   92.647    2132.81   130.678   2216.58   131.372   126.094 3.8692  128.549 3.8154  -2.455421      5.433954 
1 1 1 -11 5   14 o 122.282 2.6592  2006.08   87.086    1964.22   122.803   2048.42   123.516   120.997 3.7892  123.566 3.7319  -2.569458      5.318381 
1 1 1 -11 5   15 o 86.082  2.1683  993.768   49.992    998.737   70.445    988.727   70.955    86.300  3.0476  85.865  3.0852  0.4349670      4.336599 
1 1 1 -11 5   16 o 162.669 3.3185  3556.13   144.581   3587.68   204.189   3524.41   204.749   163.396 4.6655  161.942 4.7203  1.453720       6.636931 
1 1 1 -11 5   17 o 43.678  1.7560  256.461   20.454    250.038   28.574    263.209   29.291    43.115  2.4848  44.240  2.4819  -1.124878      3.511998 
1 1 1 -11 5   18 o 150.055 3.1384  3026.06   126.129   2981.31   177.981   3071.20   178.768   148.938 4.4615  151.172 4.4150  -2.234207      6.276712 
1 1 1 -11 5   19 o 78.962  2.4998  828.741   50.477    810.011   62.340    864.398   86.015    77.706  2.9952  80.219  4.0032  -2.513596      4.999677 
1 1 1 -11 5   20 o 202.899 4.0206  5547.68   218.493   5479.98   308.528   5615.79   309.465   201.651 5.7122  204.146 5.6595  -2.495041      8.041123 
1 1 1 -11 5   21 o 159.157 3.3454  3408.16   142.601   3454.93   201.322   3361.07   202.017   160.259 4.6901  158.055 4.7719  2.204285       6.690871 
1 1 1 -11 5   22 o 149.154 3.1292  2992.46   125.012   2985.59   176.372   2999.40   177.219   148.983 4.4198  149.326 4.4309  -0.3426056     6.258382 
1 1 1 -11 5   23 o 200.088 4.0099  5406.63   214.874   5295.50   303.352   5518.53   304.407   198.011 5.7197  202.166 5.6216  -4.155655      8.019753 
1 1 1 -11 5   24 o 59.257  1.9663  471.632   31.192    480.796   43.695    462.109   44.541    59.847  2.7258  58.667  2.8345  1.180168       3.932512 
1 1 1 -11 5   25 o 112.830 2.5989  1713.88   78.537    1683.11   110.612   1745.17   111.529   111.806 3.6936  113.854 3.6572  -2.048439      5.197868 
1 1 1 -11 5   26 o 65.261  2.0290  573.305   35.422    603.657   49.924    542.537   50.266    67.010  2.7815  63.512  2.9548  3.498325       4.058051 
1 1 1 -11 5   27 f 58.625  1.9554  462.379   30.683    439.142   43.041    486.392   43.752    57.123  2.8131  60.127  2.7167  -3.004509      3.910730 
1 1 1 -11 5   28 o 68.261  2.0471  628.734   37.391    654.494   52.555    602.328   53.209    69.691  2.8155  66.832  2.9725  2.858696       4.094187 
1 1 1 -11 5   29 o 62.363  1.9829  524.888   33.118    527.486   46.554    522.227   47.122    62.524  2.7799  62.203  2.8283  0.3206520      3.965701 
1 1 1 -11 5   30 o 69.145  2.0806  646.833   38.530    650.746   54.240    642.846   54.742    69.362  2.9195  68.928  2.9651  0.4330521      4.161167 
1 1 1 -11 5   31 o 26.272  2.0917  94.592    14.454    92.730    20.009    96.623    20.901    26.006  2.9231  26.538  2.9927  -0.5321999     4.183408 
1 1 1 -11 5   32 o 44.841  1.9632  273.399   23.458    269.439   32.752    277.570   33.612    44.510  2.7608  45.171  2.7918  -0.6613617     3.926376 
1 1 1 -11 5   33 o 35.936  1.9943  176.232   19.023    166.201   26.430    187.014   27.402    34.861  2.8556  37.010  2.7847  -2.149311      3.988573 
1 1 1 -11 5   34 f 59.507  2.0707  484.102   32.899    509.129   46.345    458.680   46.708    61.133  2.8304  57.882  3.0232  3.250610       4.141363 
1 1 1 -11 5   35 o 23.612  5.7956  84.068    36.382    0.0000    0.0000    84.068    36.382    ?       ?       23.612  5.7956  ?              ?        
1 1 1 -11 5   36 o 18.193  3.5942  48.311    16.749    49.780    32.863    47.796    19.466    18.298  5.8967  18.089  4.1110  0.2091599      7.188303 
1 1 1 -11 5   37 o 52.457  2.4538  389.748   33.118    373.433   53.439    399.922   42.199    51.212  3.9257  53.701  2.9451  -2.488693      4.907598 
1 1 1 -11 5   38 o 20.282  3.3073  60.230    16.628    69.096    29.804    56.222    20.037    21.049  5.2919  19.514  3.9686  1.535313       6.614674 
1 1 1 -11 5   39 o 28.814  2.9550  118.730   20.870    135.198   36.925    111.001   25.298    29.850  4.7795  27.779  3.4761  2.071867       5.909931 
1 1 1 -11 5   40 o 8.3919  2.6036  -8.8096   13.064    -56.3810  24.927    9.2031    15.339    6.9240  3.4429  9.8598  3.9066  -2.935743      5.207190 
1 1 1 -11 5   41 o 11.605  3.2738  14.587    14.643    6.3435    27.871    17.730    17.210    11.606  4.9853  11.604  4.2446  0.2650261E-02  6.547514 
1 1 1 -11 5   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 5   43 o 16.660  3.7899  49.020    18.882    40.619    35.603    52.308    22.272    15.486  6.0059  17.833  4.6241  -2.346600      7.579794 
1 1 1 -11 6   1  o 243.494 4.6376  7951.86   302.458   7903.09   427.564   8000.71   427.918   242.745 6.5760  244.242 6.5411  -1.496521      9.275219 
1 1 1 -11 6   2  o 481.597 8.8719  31229.56  1144.42   31036.04  1618.49   31423.05  1618.41   480.097 12.586  483.097 12.507  -3.000275      17.74384 
1 1 1 -11 6   3  o 403.329 7.5008  21871.77  810.317   21946.62  1146.21   21796.98  1145.71   404.022 10.592  402.637 10.624  1.384521       15.00160 
1 1 1 -11 6   4  o 381.597 7.0524  19571.70  720.824   19655.52  1019.54   19487.92  1019.26   382.417 9.9535  380.777 9.9937  1.639404       14.10482 
1 1 1 -11 6   5  o 196.731 3.8468  5189.25   202.696   5240.46   286.611   5138.01   286.700   197.703 5.4124  195.759 5.4679  1.944290       7.693609 
1 1 1 -11 6   6  o 333.134 6.2581  14910.29  558.393   15009.90  789.644   14810.65  789.731   334.250 8.8200  332.017 8.8803  2.233124       12.51614 
1 1 1 -11 6   7  o 145.716 3.0028  2845.95   117.199   2852.49   165.658   2839.40   165.832   145.884 4.2395  145.548 4.2538  0.3357086      6.005658 
1 1 1 -11 6   8  o 124.271 5.4140  2071.38   180.209   2071.38   180.209   0.0000    0.0000    124.271 5.4140  ?       ?       ?              ?        
1 1 1 -11 6   9  o 117.397 2.5560  1847.47   80.360    1879.43   113.501   1815.34   113.792   118.416 3.5785  116.378 3.6505  2.038322       5.111913 
1 1 1 -11 6   10 o 48.170  1.7260  311.348   22.227    315.383   31.319    307.254   31.549    48.517  2.4100  47.824  2.4714  0.6936989      3.451926 
1 1 1 -11 6   11 o 249.446 4.7494  8367.01   317.314   8429.58   448.515   8304.31   448.985   250.384 6.6878  248.508 6.7453  1.876038       9.498737 
1 1 1 -11 6   12 o 217.705 4.1720  6371.14   243.280   6378.82   343.747   6363.43   344.353   217.838 5.8914  217.573 5.9089  0.2652740      8.344089 
1 1 1 -11 6   13 o 143.468 2.9710  2762.71   114.166   2779.87   161.160   2745.43   161.751   143.917 4.1808  143.020 4.2224  0.8972473      5.942043 
1 1 1 -11 6   14 o 99.808  2.3379  1336.15   62.499    1332.07   88.130    1340.28   88.648    99.655  3.3017  99.961  3.3109  -0.3061829     4.675790 
1 1 1 -11 6   15 o 132.507 2.8409  2357.37   100.826   2368.08   142.312   2346.57   142.869   132.810 4.0006  132.203 4.0347  0.6072540      5.681812 
1 1 1 -11 6   16 o 154.313 3.1416  3199.75   129.843   3234.17   183.357   3165.13   183.896   155.149 4.4122  153.477 4.4734  1.671982       6.283275 
1 1 1 -11 6   17 o 68.030  1.9828  620.617   36.117    597.673   50.772    644.121   51.387    66.756  2.8395  69.304  2.7683  -2.547867      3.965604 
1 1 1 -11 6   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 6   19 o 38.548  1.9178  201.487   19.529    224.834   27.332    177.135   27.914    40.872  2.5088  36.223  2.9014  4.648685       3.835611 
1 1 1 -11 6   20 o 261.268 5.0658  9235.56   354.500   9182.52   500.945   9288.76   501.734   260.511 7.1792  262.025 7.1489  -1.513947      10.13153 
1 1 1 -11 6   21 o 26.877  2.0404  99.754    14.087    120.740   19.691    77.752    20.162    29.903  2.4809  23.851  3.2400  6.052816       4.080703 
1 1 1 -11 6   22 o 138.365 2.9601  2575.09   109.702   2569.32   154.793   2580.91   155.495   138.210 4.1814  138.520 4.1910  -0.3099213     5.920175 
1 1 1 -11 6   23 o 102.375 2.4133  1408.56   66.172    1416.15   93.241    1400.86   93.924    102.655 3.3911  102.095 3.4347  0.5599136      4.826609 
1 1 1 -11 6   24 o 55.504  1.9646  415.524   29.052    447.825   40.761    382.171   41.419    57.752  2.6350  53.257  2.9146  4.495232       3.929174 
1 1 1 -11 6   25 o 40.303  1.9316  219.715   20.682    229.528   28.786    209.245   29.734    41.252  2.6188  39.353  2.8399  1.898125       3.863111 
1 1 1 -11 6   26 o 75.875  2.1325  774.950   43.337    766.896   60.875    783.225   61.708    75.476  3.0112  76.274  3.0205  -0.7980804     4.265048 
1 1 1 -11 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 6   28 o 68.070  2.0509  625.131   37.384    605.604   52.432    645.323   53.316    66.986  2.9223  69.155  2.8783  -2.169762      4.101787 
1 1 1 -11 6   29 o 20.917  2.2636  62.091    11.956    74.365    16.391    48.136    17.477    23.324  2.6719  18.511  3.6546  4.812994       4.527156 
1 1 1 -11 6   30 f 73.842  2.1102  738.609   41.735    736.586   58.749    740.670   59.300    73.743  2.9744  73.941  2.9942  -0.1986237     4.220436 
1 1 1 -11 6   31 o 52.875  1.9843  379.758   28.001    377.980   39.341    381.583   39.863    52.753  2.7942  52.998  2.8183  -0.2449875     3.968698 
1 1 1 -11 6   32 o 11.159  2.7400  15.523    10.019    16.736    13.679    14.118    14.717    11.361  3.8117  10.958  3.9371  0.4027185      5.479910 
1 1 1 -11 6   33 o 44.783  1.9953  273.849   23.808    269.354   33.380    278.504   33.968    44.408  2.8210  45.158  2.8225  -0.7503700     3.990504 
1 1 1 -11 6   34 o 37.595  2.0641  194.208   20.519    170.755   28.553    219.255   29.508    35.188  3.0600  40.002  2.7711  -4.814415      4.128226 
1 1 1 -11 6   35 o 24.271  3.3850  82.915    21.407    82.915    21.407    0.0000    0.0000    24.271  3.3850  ?       ?       ?              ?        
1 1 1 -11 6   36 o 20.664  2.6045  61.434    13.863    55.140    19.368    68.045    19.850    19.494  3.8459  21.835  3.5134  -2.340366      5.209087 
1 1 1 -11 6   37 o 20.200  2.6621  60.319    13.759    70.936    19.039    48.711    19.907    22.310  3.2843  18.091  4.1906  4.218815       5.324254 
1 1 1 -11 6   38 o 17.870  2.6111  49.676    13.294    85.669    18.639    12.414    18.965    24.658  2.8762  11.081  4.3587  13.57641       5.222165 
1 1 1 -11 6   39 o 11.473  3.3029  5.9445    13.540    28.178    29.414    -0.0333   15.252    14.494  5.4998  8.4521  3.6592  6.042315       6.605872 
1 1 1 -11 6   40 o 13.764  3.2852  8.8372    15.046    62.440    29.857    -9.4079   17.419    19.603  5.4757  7.9255  3.6316  11.67734       6.570473 
1 1 1 -11 6   41 o 23.250  4.0770  81.901    24.464    0.0000    0.0000    81.901    24.464    ?       ?       23.250  4.0770  ?              ?        
1 1 1 -11 6   42 o 23.918  3.6954  106.311   22.106    67.636    39.814    123.548   26.579    18.997  6.5022  28.838  3.5137  -9.840834      7.390842 
1 1 1 -11 7   1  o 235.887 4.5141  7463.22   285.183   7343.31   403.042   7583.45   403.577   233.987 6.4309  237.787 6.3365  -3.800323      9.028134 
1 1 1 -11 7   2  o 213.133 4.1298  6091.57   235.745   6017.36   333.506   6165.67   333.283   211.835 5.8778  214.433 5.8027  -2.598114      8.259582 
1 1 1 -11 7   3  o 406.750 7.5218  22253.03  819.472   22332.00  1159.17   22174.13  1158.65   407.474 10.621  406.026 10.654  1.448303       15.04351 
1 1 1 -11 7   4  o 342.995 6.3856  15808.27  586.590   15551.34  829.526   16065.24  829.602   340.198 9.1035  345.792 8.9571  -5.593689      12.77117 
1 1 1 -11 7   5  o 298.870 5.6421  11995.45  451.656   12054.48  638.885   11936.47  638.591   299.607 7.9612  298.134 7.9969  1.473877       11.28415 
1 1 1 -11 7   6  o 364.744 9.6424  17975.11  942.024   17956.23  1329.73   17994.14  1334.73   364.556 13.618  364.932 13.655  -0.3758850     19.28489 
1 1 1 -11 7   7  o 437.670 11.516  26030.65  1349.54   26894.98  1911.81   25172.22  1905.28   445.007 16.039  430.333 16.530  14.67389       23.03248 
1 1 1 -11 7   8  o 202.435 3.9668  5499.35   215.086   5513.50   304.063   5485.17   304.292   202.697 5.6005  202.174 5.6192  0.5226135      7.933571 
1 1 1 -11 7   9  o 287.910 5.4191  11151.53  417.875   11286.51  590.923   11016.52  591.005   289.660 7.6165  286.159 7.7107  3.501282       10.83815 
1 1 1 -11 7   10 o 205.769 3.9796  5686.90   219.334   5661.76   309.995   5712.10   310.376   205.312 5.6370  206.225 5.6190  -0.9127655     7.959228 
1 1 1 -11 7   11 o 46.122  1.7525  285.923   21.568    288.430   30.375    283.373   30.630    46.328  2.4566  45.916  2.5000  0.4120102      3.504980 
1 1 1 -11 7   12 o 232.818 4.4773  7295.86   279.195   7362.80   394.654   7228.80   395.029   233.893 6.2996  231.743 6.3640  2.149841       8.954625 
1 1 1 -11 7   13 o 104.003 2.3940  1450.93   66.690    1438.13   94.096    1463.86   94.533    103.542 3.3928  104.465 3.3785  -0.9226913     4.788077 
1 1 1 -11 7   14 o 74.481  2.0426  743.956   40.746    751.334   57.434    736.481   57.814    74.853  2.8646  74.108  2.9126  0.7451706      4.085236 
1 1 1 -11 7   15 f 159.317 3.2420  3411.30   138.340   3442.89   195.379   3379.53   195.906   160.060 4.5573  158.574 4.6124  1.486115       6.484063 
1 1 1 -11 7   16 o 53.629  1.8367  385.698   26.377    389.752   37.041    381.528   37.572    53.915  2.5650  53.342  2.6297  0.5734215      3.673442 
1 1 1 -11 7   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 7   18 o 81.022  2.1134  880.639   45.863    877.268   64.603    884.064   65.119    80.866  2.9826  81.178  2.9949  -0.3120728     4.226733 
1 1 1 -11 7   19 o 251.256 4.8812  8534.75   328.487   8614.50   464.276   8454.82   464.827   252.444 6.8663  250.068 6.9398  2.375671       9.762486 
1 1 1 -11 7   20 o 194.957 3.8874  5123.28   202.991   5157.59   286.778   5088.84   287.368   195.617 5.4733  194.298 5.5218  1.319153       7.774808 
1 1 1 -11 7   21 o 39.775  1.8652  213.442   19.730    223.217   27.669    203.329   28.142    40.714  2.5500  38.835  2.7227  1.879238       3.730377 
1 1 1 -11 7   22 o 133.696 2.8572  2405.27   102.306   2440.27   144.407   2370.01   144.959   134.678 4.0031  132.714 4.0779  1.964478       5.714437 
1 1 1 -11 7   23 o 97.980  2.3703  1290.73   62.205    1283.51   87.683    1298.06   88.262    97.704  3.3505  98.255  3.3537  -0.5519257     4.740630 
1 1 1 -11 7   24 o 60.247  2.0048  488.103   32.332    504.341   45.502    471.544   45.949    61.264  2.7729  59.230  2.8963  2.034454       4.009698 
1 1 1 -11 7   25 o 60.313  1.9901  489.376   32.142    496.858   45.203    481.725   45.712    60.782  2.7765  59.843  2.8519  0.9396515      3.980241 
1 1 1 -11 7   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 7   27 o 22.071  2.2986  68.946    12.734    87.224    17.789    49.739    18.236    25.306  2.6645  18.836  3.7463  6.469719       4.597253 
1 1 1 -11 7   28 o 86.505  2.2673  1013.46   52.507    1045.88   74.011    980.610   74.502    87.917  3.1430  85.093  3.2688  2.823204       4.534642 
1 1 1 -11 7   29 o 28.659  2.0096  112.534   15.161    120.139   21.119    104.445   21.779    29.701  2.6836  27.617  2.9921  2.083668       4.019264 
1 1 1 -11 7   30 o 24.296  2.1221  81.141    13.487    80.015    18.434    82.439    19.785    24.131  2.9108  24.461  3.0886  -0.3298035     4.244129 
1 1 1 -11 7   31 o 47.619  1.9582  308.232   24.819    283.090   34.600    334.880   35.622    45.593  2.8476  49.645  2.6889  -4.052692      3.916463 
1 1 1 -11 7   32 o 40.104  2.0214  220.522   21.474    241.056   30.187    199.485   30.555    42.054  2.6941  38.154  3.0144  3.900337       4.042881 
1 1 1 -11 7   33 o 12.562  2.6911  21.750    10.265    29.775    14.192    12.946    14.865    14.419  3.6663  10.704  3.9404  3.715375       5.382222 
1 1 1 -11 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 7   35 o 14.347  2.8769  29.114    12.194    16.397    17.025    42.512    17.475    11.615  4.2259  17.080  3.9049  -5.464301      5.753777 
1 1 1 -11 7   36 o 44.204  2.0808  271.594   24.414    244.412   34.051    300.349   35.022    41.854  3.0585  46.553  2.8221  -4.698486      4.161557 
1 1 1 -11 7   37 o 19.386  2.7147  55.471    13.582    43.949    18.967    67.595    19.457    17.125  4.1732  21.647  3.4732  -4.521704      5.429411 
1 1 1 -11 7   38 o 20.827  2.7533  64.400    14.759    72.108    20.809    56.599    20.935    22.242  3.6171  19.413  4.1520  2.829945       5.506576 
1 1 1 -11 7   39 o 10.641  2.9395  11.873    12.117    10.676    16.668    13.215    17.645    10.350  4.0814  10.932  4.2313  -0.5815763     5.878900 
1 1 1 -11 7   40 o 13.756  3.1486  26.949    13.740    15.863    18.572    40.354    20.422    11.431  4.3623  16.080  4.5416  -4.649358      6.297284 
1 1 1 -11 7   41 o 8.6496  2.7182  -2.0412   12.411    3.7921    14.871    -15.4255  22.526    8.7751  3.7002  8.5241  3.9830  0.2510071      5.436488 
1 1 1 -11 8   1  o 525.952 9.7223  37330.97  1369.43   36585.99  1935.93   38077.07  1937.40   520.662 13.882  531.243 13.616  -10.58136      19.44450 
1 1 1 -11 8   2  o 517.101 9.5549  36082.10  1323.39   36101.35  1871.67   36062.85  1871.45   517.240 13.510  516.963 13.515  0.2775879      19.10972 
1 1 1 -11 8   3  o 400.630 7.4102  21598.68  795.172   21590.62  1124.78   21606.74  1124.31   400.555 10.484  400.706 10.475  -0.1510620     14.82035 
1 1 1 -11 8   4  o 367.344 6.8300  18151.63  672.012   18076.01  950.511   18227.19  950.226   366.576 9.6806  368.113 9.6373  -1.536957      13.65990 
1 1 1 -11 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 8   6  o 194.085 3.7909  5053.49   197.069   5082.08   278.794   5024.95   278.602   194.635 5.3478  193.536 5.3744  1.098816       7.581791 
1 1 1 -11 8   7  o 154.071 3.0940  3183.34   127.680   3162.53   180.550   3204.16   180.582   153.567 4.3895  154.575 4.3616  -1.008636      6.187974 
1 1 1 -11 8   8  o 65.260  1.8791  570.699   32.846    567.149   46.392    574.266   46.510    65.057  2.6623  65.464  2.6525  -0.4070358     3.758136 
1 1 1 -11 8   9  o 102.174 2.3498  1399.63   64.305    1406.69   90.845    1392.55   91.038    102.433 3.3111  101.916 3.3350  0.5170670      4.699500 
1 1 1 -11 8   10 o 120.189 2.6244  1937.82   84.464    1882.26   119.271   1993.72   119.628   118.458 3.7591  121.920 3.6633  -3.461906      5.248847 
1 1 1 -11 8   11 o 141.116 2.9313  2672.87   110.786   2627.22   156.470   2718.76   156.881   139.905 4.1755  142.326 4.1152  -2.421127      5.862595 
1 1 1 -11 8   12 o 113.496 2.5715  1728.65   78.158    1766.19   110.460   1691.01   110.605   114.732 3.5944  112.259 3.6784  2.473206       5.143043 
1 1 1 -11 8   13 o 222.870 4.2894  6690.78   256.029   6568.07   361.770   6813.91   362.389   220.812 6.1167  224.928 6.0151  -4.116043      8.578800 
1 1 1 -11 8   14 o 67.030  1.9665  603.317   35.244    643.281   49.749    563.052   49.936    69.264  2.6815  64.795  2.8773  4.468971       3.933100 
1 1 1 -11 8   15 o 85.008  2.1795  969.917   49.595    1004.83   69.950    934.631   70.328    86.550  3.0174  83.466  3.1458  3.083618       4.358994 
1 1 1 -11 8   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 8   17 o 96.199  2.2942  1241.84   59.113    1232.83   83.326    1250.97   83.873    95.848  3.2457  96.551  3.2432  -0.7027588     4.588351 
1 1 1 -11 8   18 o 256.923 4.9888  8927.77   343.302   9007.54   485.244   8847.82   485.760   258.085 7.0195  255.762 7.0908  2.323669       9.977661 
1 1 1 -11 8   19 o 171.849 3.5052  3975.66   161.339   3951.28   227.778   4000.21   228.561   171.319 4.9638  172.379 4.9503  -1.059967      7.010342 
1 1 1 -11 8   20 o 147.116 3.1148  2912.15   122.726   2945.92   173.216   2878.12   173.908   147.978 4.3702  146.255 4.4394  1.723190       6.229512 
1 1 1 -11 8   21 f 142.728 3.0218  2742.14   115.521   2750.60   163.005   2733.61   163.741   142.952 4.2572  142.505 4.2898  0.4475708      6.043676 
1 1 1 -11 8   22 o 40.873  1.8570  225.515   20.190    236.471   28.310    214.176   28.802    41.898  2.5346  39.848  2.7147  2.049660       3.713975 
1 1 1 -11 8   23 o 51.653  1.9703  359.671   27.146    367.233   38.107    351.879   38.681    52.212  2.7344  51.094  2.8376  1.118008       3.940644 
1 1 1 -11 8   24 o 9.1777  2.3650  6.8185    8.2342    16.372    11.762    -2.3649   11.532    11.117  3.5219  7.2384  3.1574  3.878637       4.730031 
1 1 1 -11 8   25 o 55.152  2.7887  410.472   41.062    0.0000    0.0000    410.472   41.062    ?       ?       55.152  2.7887  ?              ?        
1 1 1 -11 8   26 o 85.566  2.2233  988.405   50.949    968.189   71.712    1009.01   72.398    84.679  3.1618  86.453  3.1265  -1.774475      4.446524 
1 1 1 -11 8   27 o 63.517  2.0374  544.823   34.661    545.119   48.750    544.521   49.289    63.537  2.8645  63.496  2.8981  0.4099655E-01  4.074885 
1 1 1 -11 8   28 f 39.574  1.9289  212.658   20.310    215.945   28.435    209.234   29.021    39.897  2.6763  39.250  2.7784  0.6472130      3.857732 
1 1 1 -11 8   29 o 62.332  2.0112  526.093   33.574    527.704   47.186    524.442   47.782    62.434  2.8216  62.230  2.8666  0.2040176      4.022336 
1 1 1 -11 8   30 o 28.742  2.0827  113.237   15.801    112.711   22.051    113.793   22.654    28.680  2.9108  28.804  2.9794  -0.1232796     4.165313 
1 1 1 -11 8   31 o 53.827  2.0343  394.794   29.208    377.668   40.933    412.558   41.688    52.623  2.9155  55.032  2.8379  -2.409435      4.068629 
1 1 1 -11 8   32 o 33.617  2.0350  155.245   18.125    158.912   25.244    151.342   26.041    34.053  2.7922  33.180  2.9613  0.8733864      4.070091 
1 1 1 -11 8   33 o 36.170  3.0243  180.511   29.030    0.0000    0.0000    180.511   29.030    ?       ?       36.170  3.0243  ?              ?        
1 1 1 -11 8   34 o 18.798  2.7478  51.249    13.380    55.864    18.890    46.603    18.953    19.719  3.7127  17.877  4.0518  1.841780       5.495596 
1 1 1 -11 8   35 o 53.388  2.1257  395.962   30.250    404.761   42.285    386.739   43.293    54.043  2.9321  52.733  3.0785  1.310574       4.251385 
1 1 1 -11 8   36 o 14.127  2.8610  29.179    12.024    41.093    16.785    16.619    17.234    16.683  3.8364  11.572  4.2453  5.111045       5.721985 
1 1 1 -11 8   37 o 25.137  2.5313  91.639    16.498    97.561    23.027    85.392    23.650    26.087  3.3746  24.187  3.7738  1.899731       5.062514 
1 1 1 -11 8   38 o 48.173  2.1916  328.911   28.004    357.419   39.289    299.472   39.925    50.450  2.9200  45.897  3.2690  4.552208       4.383254 
1 1 1 -11 8   39 o 13.798  3.1901  28.448    13.579    26.791    18.949    30.198    19.468    13.461  4.4860  14.136  4.5367  -0.6750965     6.380114 
1 1 1 -11 8   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 8   41 o 15.001  3.1813  36.193    14.055    27.934    19.727    44.708    20.030    13.366  4.5768  16.637  4.4200  -3.270728      6.362683 
1 1 1 -11 9   1  o 455.445 8.4753  27967.23  1033.90   27834.38  1461.95   28100.16  1462.35   454.356 12.013  456.534 11.959  -2.177887      16.95061 
1 1 1 -11 9   2  o 293.491 5.5075  11570.86  432.931   11451.43  612.235   11690.31  612.280   291.972 7.8287  295.010 7.7486  -3.038666      11.01495 
1 1 1 -11 9   3  o 92.974  3.2568  1171.98   80.015    1339.46   111.610   994.881   114.772   99.961  4.1685  85.987  5.0050  13.97480       6.513544 
1 1 1 -11 9   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 9   5  o 408.702 7.6176  22546.35  833.858   22819.43  1179.66   22273.64  1178.85   411.193 10.711  406.210 10.835  4.983582       15.23524 
1 1 1 -11 9   6  o 441.853 8.1449  26415.35  963.936   26285.79  1363.23   26544.89  1363.19   440.758 11.547  442.948 11.490  -2.189453      16.28978 
1 1 1 -11 9   7  o 136.465 2.8657  2497.80   104.739   2536.33   148.234   2459.38   148.012   137.517 4.0244  135.412 4.0808  2.104950       5.731418 
1 1 1 -11 9   8  o 329.022 6.2150  14616.13  547.645   14342.29  774.272   14890.27  774.701   325.914 8.8696  332.131 8.7084  -6.216553      12.42998 
1 1 1 -11 9   9  o 30.499  1.6749  125.527   13.551    117.020   19.129    134.096   19.198    29.448  2.4474  31.550  2.2873  -2.102758      3.349880 
1 1 1 -11 9   10 o 126.788 2.7512  2157.36   93.418    2114.79   131.957   2200.12   132.269   125.533 3.9245  128.044 3.8566  -2.512032      5.502321 
1 1 1 -11 9   11 o 80.463  2.1127  868.264   45.523    847.030   64.255    889.665   64.506    79.474  3.0185  81.452  2.9567  -1.977821      4.225317 
1 1 1 -11 9   12 o 91.188  2.2320  1115.37   54.514    1105.29   76.992    1125.52   77.197    90.774  3.1666  91.602  3.1464  -0.8278961     4.463969 
1 1 1 -11 9   13 o 133.152 2.8198  2380.81   100.565   2365.84   142.003   2395.88   142.439   132.732 3.9942  133.572 3.9813  -0.8408966     5.639547 
1 1 1 -11 9   14 o 182.409 3.6335  4478.33   177.460   4614.61   250.899   4341.89   251.033   185.200 5.0579  179.618 5.2179  5.582367       7.266917 
1 1 1 -11 9   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 9   16 o 109.385 2.5047  1606.27   73.385    1598.55   103.579   1614.04   103.985   109.121 3.5439  109.648 3.5406  -0.5277939     5.009497 
1 1 1 -11 9   17 o 203.587 4.0388  5587.44   220.186   5442.25   310.957   5733.44   311.826   200.919 5.7782  206.255 5.6444  -5.336227      8.077536 
1 1 1 -11 9   18 o 355.729 6.7503  17276.14  643.173   17222.24  909.208   17330.13  909.961   355.165 9.5575  356.292 9.5352  -1.126556      13.50055 
1 1 1 -11 9   19 o 182.389 3.6726  4483.88   179.404   4537.73   253.463   4429.81   253.969   183.495 5.1570  181.284 5.2304  2.211334       7.345201 
1 1 1 -11 9   20 o 56.402  1.8966  426.790   28.642    411.515   40.212    442.522   40.807    55.376  2.7111  57.427  2.6530  -2.050842      3.793206 
1 1 1 -11 9   21 o 30.663  1.9517  127.370   15.838    130.051   22.022    124.499   22.794    31.010  2.6776  30.317  2.8402  0.6934319      3.903352 
1 1 1 -11 9   22 o 41.584  1.9226  233.875   21.231    251.113   29.795    216.092   30.262    43.165  2.5890  40.002  2.8429  3.162762       3.845127 
1 1 1 -11 9   23 o 34.704  1.9101  163.391   17.514    182.837   24.801    144.049   24.735    36.803  2.5313  32.605  2.8612  4.197853       3.820261 
1 1 1 -11 9   24 o 39.936  1.8796  215.510   19.984    216.382   27.939    214.597   28.596    40.024  2.6207  39.848  2.6951  0.1760139      3.759205 
1 1 1 -11 9   25 o 42.797  2.2976  253.196   24.662    263.289   30.629    234.590   41.587    44.145  2.6019  41.450  3.7877  2.694660       4.595248 
1 1 1 -11 9   26 o 76.362  2.1611  787.974   44.197    772.484   62.185    803.786   62.828    75.600  3.0710  77.123  3.0414  -1.523277      4.322147 
1 1 1 -11 9   27 o 49.593  1.9388  333.726   25.607    354.041   36.064    313.070   36.366    51.142  2.6417  48.043  2.8386  3.098839       3.877678 
1 1 1 -11 9   28 o 98.736  2.4310  1326.34   64.280    1348.16   90.666    1304.29   91.146    99.569  3.3996  97.902  3.4758  1.666824       4.861969 
1 1 1 -11 9   29 o 44.341  1.9522  267.366   23.066    268.785   32.351    265.898   32.896    44.469  2.7292  44.214  2.7921  0.2553215      3.904457 
1 1 1 -11 9   30 o 25.923  2.2036  92.771    14.993    92.852    21.310    92.691    21.100    25.931  3.1315  25.916  3.1013  0.1556396E-01  4.407297 
1 1 1 -11 9   31 o 43.324  2.0262  256.663   23.378    254.305   32.793    259.100   33.336    43.124  2.8552  43.524  2.8758  -0.3998680     4.052402 
1 1 1 -11 9   32 o 13.206  2.7017  23.873    11.036    37.608    15.409    9.4084    15.813    16.191  3.6416  10.222  3.9920  5.968260       5.403431 
1 1 1 -11 9   33 o 24.841  2.4669  86.313    15.799    71.629    21.366    104.027   23.467    22.421  3.6859  27.262  3.2795  -4.841396      4.933712 
1 1 1 -11 9   34 o 30.489  2.1994  130.216   17.624    116.901   24.857    143.674   24.991    28.836  3.2765  32.143  2.9350  -3.307873      4.398842 
1 1 1 -11 9   35 o 24.647  2.5342  88.261    15.921    105.052   22.323    70.874    22.715    27.302  3.1080  21.992  4.0037  5.309542       5.068479 
1 1 1 -11 9   36 f 27.926  2.2816  110.840   16.749    109.756   23.422    111.976   23.960    27.795  3.2048  28.056  3.2485  -0.2610874     4.563267 
1 1 1 -11 9   37 o 20.420  2.8117  62.413    14.791    73.598    20.942    51.281    20.893    22.470  3.6013  18.370  4.3189  4.099855       5.623374 
1 1 1 -11 9   38 o 7.8148  2.4314  -6.2095   10.506    -18.4616  14.856    6.0486    14.860    6.4025  3.0623  9.2271  3.7774  -2.824578      4.862758 
1 1 1 -11 9   39 o 16.216  4.6267  41.459    21.083    0.0000    0.0000    41.459    21.083    ?       ?       16.216  4.6267  ?              ?        
1 1 1 -11 9   40 f 9.1640  2.7211  2.2587    11.953    13.348    16.714    -9.3472   17.099    10.596  4.1135  7.7323  3.5633  2.863392       5.442208 
1 1 1 -11 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 10  3  o 141.567 2.9812  2687.49   113.038   2662.38   159.994   2712.52   159.728   140.906 4.2392  142.229 4.1928  -1.322678      5.962410 
1 1 1 -11 10  4  o 96.084  2.3043  1237.62   59.293    1214.11   83.995    1260.98   83.712    95.173  3.2950  96.995  3.2222  -1.821526      4.608603 
1 1 1 -11 10  5  o 274.947 5.2011  10173.79  382.973   9973.05   541.664   10374.44  541.546   272.221 7.4288  277.672 7.2814  -5.450714      10.40221 
1 1 1 -11 10  6  o 159.992 3.2396  3435.42   138.825   3421.33   196.495   3449.46   196.162   159.663 4.5947  160.320 4.5681  -0.6568756     6.479110 
1 1 1 -11 10  7  o 62.582  1.8825  525.101   31.528    552.945   44.760    497.681   44.417    64.231  2.6017  60.934  2.7215  3.296417       3.765009 
1 1 1 -11 10  8  o 327.447 6.1893  14501.55  542.771   14226.48  767.443   14776.83  767.746   324.311 8.8348  330.584 8.6705  -6.273529      12.37869 
1 1 1 -11 10  9  o 85.006  2.1677  969.155   49.344    995.245   69.853    943.168   69.714    86.150  3.0272  83.863  3.1036  2.287033       4.335446 
1 1 1 -11 10  10 o 258.157 4.9336  8992.42   341.142   9041.68   482.437   8943.17   482.457   258.870 6.9578  257.445 6.9966  1.424713       9.867255 
1 1 1 -11 10  11 o 145.074 3.0502  2827.27   118.525   2813.76   167.497   2840.82   167.743   144.727 4.3209  145.422 4.3065  -0.6956940     6.100472 
1 1 1 -11 10  12 o 47.639  1.7928  305.128   22.785    293.940   32.058    316.547   32.389    46.752  2.5699  48.526  2.5004  -1.774845      3.585603 
1 1 1 -11 10  13 o 203.639 4.0229  5586.56   219.427   5575.17   310.088   5598.00   310.546   203.430 5.6909  203.847 5.6876  -0.4168091     8.045843 
1 1 1 -11 10  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 10  15 o 101.241 2.4275  1375.89   65.814    1340.98   92.839    1411.16   93.314    99.948  3.4679  102.534 3.3977  -2.586525      4.854978 
1 1 1 -11 10  16 o 125.299 2.7253  2109.97   91.394    2201.76   129.170   2017.95   129.333   128.037 3.7665  122.560 3.9398  5.477341       5.450514 
1 1 1 -11 10  17 o 77.431  2.1324  804.626   44.219    815.758   62.374    793.378   62.698    77.971  2.9866  76.891  3.0443  1.079857       4.264717 
1 1 1 -11 10  18 o 245.719 4.7443  8173.22   312.247   8159.72   441.273   8186.75   441.896   245.515 6.7103  245.922 6.7086  -0.4069977     9.488582 
1 1 1 -11 10  19 o 160.736 3.3179  3481.20   142.844   3452.69   201.677   3509.89   202.348   160.073 4.7038  161.398 4.6807  -1.325226      6.635863 
1 1 1 -11 10  20 o 69.288  2.0442  644.912   37.929    655.411   53.376    634.201   53.909    69.860  2.8525  68.716  2.9290  1.144806       4.088465 
1 1 1 -11 10  21 f 24.423  2.2272  81.725    14.135    71.640    19.866    92.066    20.117    22.837  3.3470  26.009  2.9393  -3.171694      4.454427 
1 1 1 -11 10  22 o 95.334  2.3426  1224.06   59.779    1167.60   84.154    1281.57   84.933    93.105  3.3745  97.563  3.2502  -4.458153      4.685184 
1 1 1 -11 10  23 f 54.220  1.9368  396.540   28.033    395.150   39.339    397.975   39.959    54.126  2.7222  54.314  2.7557  -0.1887245     3.873533 
1 1 1 -11 10  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 10  25 o 54.460  1.9747  401.182   28.705    399.599   40.294    402.814   40.903    54.354  2.7770  54.566  2.8082  -0.2127953     3.949366 
1 1 1 -11 10  26 o 20.694  2.2126  59.141    11.833    52.327    16.368    66.603    17.128    19.393  3.2672  21.994  2.9845  -2.601416      4.425148 
1 1 1 -11 10  27 o 41.993  1.9361  239.733   21.630    247.041   30.164    231.996   31.034    42.673  2.6522  41.313  2.8214  1.360214       3.872255 
1 1 1 -11 10  28 o 45.076  1.9730  277.201   23.599    303.516   33.188    250.288   33.564    47.293  2.6304  42.859  2.9415  4.433544       3.946053 
1 1 1 -11 10  29 o 49.276  1.9806  330.528   26.031    327.395   36.631    333.725   37.000    49.039  2.8004  49.512  2.8015  -0.4730682     3.961126 
1 1 1 -11 10  30 o 7.4273  2.2690  -4.2330   8.7717    5.2789    12.440    -13.6398  12.371    8.7278  3.4983  6.1267  2.8905  2.601041       4.537936 
1 1 1 -11 10  31 o 10.748  2.7235  13.885    9.9582    14.904    13.691    12.741    14.510    10.905  3.8087  10.591  3.8939  0.3137779      5.446916 
1 1 1 -11 10  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 10  33 o 23.096  2.5732  77.521    14.982    98.478    21.181    56.538    21.194    26.546  3.0334  19.646  4.1573  6.899530       5.146330 
1 1 1 -11 10  34 o 12.571  2.7383  18.879    11.706    39.192    17.050    0.7647    16.101    16.292  3.9486  8.8504  3.7950  7.441192       5.476593 
1 1 1 -11 10  35 o 27.481  2.3344  107.254   16.815    101.551   23.080    113.706   24.548    26.697  3.2978  28.264  3.3050  -1.567211      4.668840 
1 1 1 -11 10  36 o 7.2705  2.3365  -6.9031   9.9217    -5.8996   13.590    -8.0485   14.519    7.2534  3.2780  7.2876  3.3304  -0.3416204E-01 4.673033 
1 1 1 -11 10  37 o 10.118  2.7624  9.8704    11.001    17.326    15.461    2.2245    15.658    11.385  4.0413  8.8503  3.7672  2.534369       5.524816 
1 1 1 -11 10  38 o 14.868  3.0807  32.615    14.214    14.784    19.788    51.626    20.432    11.417  4.4637  18.318  4.2471  -6.900314      6.161345 
1 1 1 -11 10  39 o 26.723  2.5553  106.340   17.793    110.000   24.881    102.509   25.454    27.291  3.4832  26.155  3.7399  1.136106       5.110697 
1 1 1 -11 11  1  o 95.098  2.2514  1212.09   57.335    1179.04   80.768    1245.67   81.404    93.790  3.2151  96.406  3.1525  -2.615433      4.502781 
1 1 1 -11 11  2  o 60.606  1.8597  492.213   30.188    493.098   42.671    491.326   42.715    60.661  2.6262  60.552  2.6337  0.1092224      3.719313 
1 1 1 -11 11  3  o 203.731 4.0565  5576.19   221.344   5502.67   313.126   5649.62   312.928   202.384 5.7764  205.077 5.6969  -2.693344      8.113009 
1 1 1 -11 11  4  o 197.983 3.8538  5265.73   204.360   5313.31   289.274   5218.33   288.743   198.878 5.4304  197.088 5.4697  1.789932       7.707595 
1 1 1 -11 11  5  o 158.521 3.2682  3373.78   138.753   3434.67   196.515   3313.24   195.939   159.950 4.5869  157.091 4.6567  2.858856       6.536422 
1 1 1 -11 11  6  o 197.976 3.8244  5270.59   202.685   5067.94   286.671   5473.15   286.609   194.155 5.5125  201.796 5.3026  -7.641693      7.648836 
1 1 1 -11 11  7  o 123.433 2.6644  2044.69   88.076    2008.74   124.672   2080.51   124.446   122.347 3.8044  124.518 3.7313  -2.171257      5.328771 
1 1 1 -11 11  8  o 141.261 3.0157  2679.86   114.093   2723.66   161.512   2636.23   161.193   142.416 4.2341  140.106 4.2954  2.309982       6.031377 
1 1 1 -11 11  9  o 46.617  1.7577  292.119   21.866    296.652   31.114    287.695   30.735    46.976  2.4816  46.259  2.4897  0.7172089      3.515308 
1 1 1 -11 11  10 o 224.590 4.3585  6799.84   262.146   6648.87   370.594   6951.04   370.867   222.079 6.2302  227.101 6.0969  -5.022186      8.717094 
1 1 1 -11 11  11 o 63.413  1.9177  539.623   32.530    572.857   46.090    506.639   45.917    65.362  2.6327  61.463  2.7892  3.898327       3.835414 
1 1 1 -11 11  12 o 36.208  1.7474  176.665   16.825    166.527   23.708    186.953   23.882    35.150  2.5352  37.265  2.4055  -2.114750      3.494791 
1 1 1 -11 11  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 11  14 o 44.007  1.9245  260.738   22.572    264.282   31.936    257.201   31.906    44.308  2.7039  43.705  2.7394  0.6028328      3.849056 
1 1 1 -11 11  15 o 137.181 2.9585  2529.55   108.696   2567.08   153.534   2491.83   153.905   138.206 4.1475  136.157 4.2201  2.049362       5.917046 
1 1 1 -11 11  16 o 204.690 4.0081  5651.06   219.718   5539.50   310.335   5763.18   311.124   202.652 5.7173  206.728 5.6188  -4.076050      8.016145 
1 1 1 -11 11  17 o 182.482 3.6731  4489.10   179.527   4444.98   253.542   4533.47   254.237   181.579 5.2131  183.386 5.1759  -1.807281      7.346171 
1 1 1 -11 11  18 o 112.078 2.5499  1688.45   76.545    1665.66   107.926   1711.52   108.577   111.316 3.6198  112.841 3.5924  -1.525017      5.099809 
1 1 1 -11 11  19 o 108.727 2.5406  1590.24   73.988    1591.93   104.349   1588.53   104.924   108.786 3.5812  108.667 3.6048  0.1191864      5.081292 
1 1 1 -11 11  20 o 77.683  2.1515  811.216   44.757    787.791   62.952    835.161   63.647    76.547  3.0704  78.820  3.0148  -2.273300      4.303039 
1 1 1 -11 11  21 o 153.449 3.2226  3187.12   132.439   3227.87   187.008   3146.12   187.588   154.446 4.5206  152.452 4.5939  1.994095       6.445118 
1 1 1 -11 11  22 o 37.673  1.8877  191.859   18.923    191.034   26.594    192.706   26.932    37.592  2.6584  37.754  2.6807  -0.1620483     3.775353 
1 1 1 -11 11  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 11  24 o 41.486  1.8877  233.423   20.821    247.222   29.227    219.205   29.669    42.755  2.5640  40.217  2.7712  2.538956       3.775378 
1 1 1 -11 11  25 o 53.495  1.9650  386.984   28.080    367.116   39.295    407.715   40.140    52.046  2.8294  54.945  2.7275  -2.898502      3.929974 
1 1 1 -11 11  26 o 35.574  1.9601  172.176   18.525    171.869   25.925    172.497   26.482    35.547  2.7441  35.601  2.7997  -0.5414581E-01 3.920233 
1 1 1 -11 11  27 o 54.147  1.9729  397.478   28.543    379.431   39.940    416.317   40.806    52.845  2.8321  55.449  2.7475  -2.604237      3.945827 
1 1 1 -11 11  28 o 65.940  2.1116  591.377   37.267    616.288   52.637    566.340   52.771    67.356  2.9176  64.525  3.0533  2.830460       4.223186 
1 1 1 -11 11  29 o 63.326  2.0838  546.050   35.292    506.433   49.345    587.540   50.497    60.948  3.0227  65.705  2.8693  -4.756775      4.167695 
1 1 1 -11 11  30 o 40.123  2.0212  220.730   21.474    194.266   29.901    248.917   30.859    37.582  2.9953  42.664  2.7146  -5.081738      4.042359 
1 1 1 -11 11  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 11  32 o 58.517  2.1331  473.429   33.337    492.851   46.963    453.703   47.329    59.814  2.9313  57.220  3.0997  2.593651       4.266222 
1 1 1 -11 11  33 o 9.0612  2.6361  4.0661    10.411    8.8795    15.072    -0.3256   14.397    9.8632  3.8837  8.2593  3.5655  1.603846       5.272168 
1 1 1 -11 11  34 o 8.7558  2.5949  1.3357    10.580    9.3999    15.194    -6.2558   14.742    9.9334  3.9032  7.5781  3.4204  2.355274       5.189817 
1 1 1 -11 11  35 o 28.512  2.3723  116.316   17.758    117.033   24.733    115.553   25.511    28.641  3.2834  28.382  3.4250  0.2584991      4.744617 
1 1 1 -11 11  36 o 14.695  3.0520  32.670    12.826    30.571    18.317    34.690    17.965    14.264  4.3764  15.127  4.2552  -0.8624544     6.104053 
1 1 1 -11 11  37 o 41.518  2.2411  245.783   24.716    233.940   34.425    258.382   35.506    40.455  3.2032  42.581  3.1352  -2.126190      4.482153 
1 1 1 -11 11  38 o 12.133  4.3092  20.996    17.582    20.996    17.582    0.0000    0.0000    12.133  4.3092  ?       ?       ?              ?        
1 1 1 -11 12  1  o 67.722  1.9542  615.208   35.414    642.474   49.904    587.548   50.263    69.236  2.6910  66.208  2.8343  3.028419       3.908315 
1 1 1 -11 12  2  o 124.809 2.7241  2089.73   91.064    2066.24   128.701   2113.27   128.867   124.106 3.8717  125.512 3.8333  -1.406464      5.448282 
1 1 1 -11 12  3  o 305.024 5.7652  12561.99  470.999   12699.84  666.365   12424.36  665.820   306.709 8.1114  303.339 8.1948  3.369904       11.53039 
1 1 1 -11 12  4  o 231.849 4.5162  7237.71   280.453   7203.21   396.823   7272.14   396.417   231.293 6.4054  232.405 6.3682  -1.111267      9.032339 
1 1 1 -11 12  5  o 245.436 4.6728  8118.16   307.162   7992.80   434.523   8243.37   434.263   243.530 6.6615  247.343 6.5549  -3.812485      9.345680 
1 1 1 -11 12  6  o 220.012 4.2544  6518.47   250.711   6532.23   354.828   6504.76   354.291   220.244 6.0148  219.780 6.0184  0.4642792      8.508811 
1 1 1 -11 12  7  o 110.339 2.4674  1633.81   72.902    1682.47   103.364   1585.64   102.836   111.977 3.4463  108.701 3.5320  3.275146       4.934784 
1 1 1 -11 12  8  o 218.517 4.2701  6434.59   249.926   6432.19   353.608   6437.00   353.288   218.476 6.0427  218.559 6.0349  -0.8341980E-01 8.540156 
1 1 1 -11 12  9  o 90.784  2.2318  1105.96   54.254    1076.56   76.773    1135.29   76.680    89.576  3.1998  91.992  3.1120  -2.415688      4.463578 
1 1 1 -11 12  10 o 136.131 2.9112  2489.88   106.137   2445.21   150.103   2534.55   150.099   134.906 4.1540  137.357 4.0798  -2.450058      5.822425 
1 1 1 -11 12  11 o 102.810 2.4149  1418.83   66.494    1397.16   94.075    1440.48   93.998    102.023 3.4426  103.596 3.3875  -1.573372      4.829799 
1 1 1 -11 12  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 12  13 o 43.302  1.8897  253.526   21.644    218.128   30.539    289.253   30.680    40.224  2.8530  46.379  2.4787  -6.155159      3.779394 
1 1 1 -11 12  14 o 70.574  2.0212  668.181   38.207    669.731   53.934    666.620   54.133    70.656  2.8498  70.491  2.8671  0.1649933      4.042498 
1 1 1 -11 12  15 o 136.792 2.9190  2515.66   106.950   2503.68   151.011   2527.71   151.489   136.465 4.1314  137.119 4.1247  -0.6543427     5.837979 
1 1 1 -11 12  16 o 111.474 2.5505  1669.70   76.139    1627.60   107.358   1712.31   107.998   110.056 3.6419  112.891 3.5717  -2.834801      5.100997 
1 1 1 -11 12  17 o 111.994 2.5807  1686.46   77.387    1629.49   109.049   1744.26   109.839   110.083 3.6984  113.906 3.6002  -3.822571      5.161332 
1 1 1 -11 12  18 o 126.457 2.7593  2153.31   93.458    2161.65   131.862   2144.88   132.478   126.706 3.8854  126.208 3.9189  0.4983597      5.518535 
1 1 1 -11 12  19 o 94.658  2.3498  1205.82   59.570    1221.17   83.965    1190.26   84.529    95.269  3.2904  94.047  3.3556  1.222282       4.699683 
1 1 1 -11 12  20 o 46.847  1.8978  295.973   23.712    295.199   33.326    296.766   33.747    46.787  2.6704  46.908  2.6973  -0.1210976     3.795579 
1 1 1 -11 12  21 o 110.036 2.5671  1635.21   75.659    1623.23   106.610   1647.36   107.390   109.630 3.6306  110.442 3.6303  -0.8117981     5.134243 
1 1 1 -11 12  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 12  23 o 114.241 2.6297  1771.03   80.453    1726.39   113.297   1816.44   114.265   112.776 3.7507  115.706 3.6870  -2.929939      5.259418 
1 1 1 -11 12  24 o 83.188  2.2347  937.190   49.790    921.619   69.973    953.159   70.862    82.486  3.1671  83.890  3.1536  -1.403564      4.469451 
1 1 1 -11 12  25 o 59.985  2.0088  487.073   32.267    494.337   45.334    479.615   45.936    60.448  2.8000  59.523  2.8812  0.9245758      4.017629 
1 1 1 -11 12  26 o 53.977  1.9903  395.615   28.671    385.816   40.154    405.807   40.950    53.292  2.8232  54.663  2.8063  -1.371426      3.980674 
1 1 1 -11 12  27 o 27.139  2.0766  101.200   14.845    105.143   21.034    97.288    20.954    27.685  2.8786  26.594  2.9937  1.091574       4.153155 
1 1 1 -11 12  28 o 45.221  1.9988  279.207   24.081    281.045   33.694    277.287   34.430    45.386  2.7851  45.056  2.8679  0.3304482      3.997688 
1 1 1 -11 12  29 o 22.558  2.4346  72.480    13.756    49.619    19.118    97.026    19.810    18.587  3.9613  26.529  2.8316  -7.942961      4.869257 
1 1 1 -11 12  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 12  31 o 30.217  2.2060  127.246   17.588    122.568   24.462    132.254   25.307    29.633  3.1292  30.800  3.1103  -1.166945      4.412002 
1 1 1 -11 12  32 o 19.491  2.7510  55.896    13.846    69.626    19.712    42.528    19.451    22.071  3.4472  16.910  4.2882  5.160770       5.501997 
1 1 1 -11 12  33 o 16.594  2.7084  41.628    12.671    64.502    17.796    18.110    18.045    21.249  3.2284  11.938  4.3495  9.310855       5.416729 
1 1 1 -11 12  34 o 29.447  2.3584  125.845   17.759    150.923   24.697    98.996    25.554    32.815  2.8378  26.078  3.7677  6.737078       4.716830 
1 1 1 -11 12  35 o 9.7349  2.7867  7.5974    11.250    7.3063    15.266    7.9435    16.644    9.5438  3.8577  9.9261  4.0225  -0.3823128     5.573358 
1 1 1 -11 12  36 o 19.242  2.9953  58.000    15.307    77.324    21.309    37.395    22.003    22.966  3.5809  15.519  4.8025  7.447278       5.990622 
1 1 1 -11 12  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 13  1  o 204.781 4.0146  5640.78   220.171   5520.53   310.842   5761.85   311.897   202.583 5.7286  206.980 5.6259  -4.396759      8.029200 
1 1 1 -11 13  2  o 203.256 4.0006  5558.30   217.780   5640.18   307.921   5476.35   308.055   204.761 5.6144  201.751 5.7006  3.009598       8.001165 
1 1 1 -11 13  3  o 158.478 3.2312  3374.39   137.135   3446.40   194.073   3302.58   193.805   160.172 4.5237  156.784 4.6150  3.387634       6.462327 
1 1 1 -11 13  4  o 196.087 3.8755  5174.08   203.537   5119.34   287.986   5228.72   287.704   195.045 5.5125  197.128 5.4489  -2.083450      7.750997 
1 1 1 -11 13  5  o 311.396 5.9006  13136.26  492.152   13106.58  696.250   13165.89  695.767   311.039 8.3572  311.753 8.3323  -0.7135010     11.80126 
1 1 1 -11 13  6  o 123.563 2.6923  2050.15   89.090    2012.32   126.170   2087.77   125.816   122.423 3.8477  124.704 3.7668  -2.280594      5.384556 
1 1 1 -11 13  7  o 135.775 2.8721  2476.53   104.432   2430.91   147.874   2521.92   147.505   134.523 4.1040  137.026 4.0190  -2.503601      5.744115 
1 1 1 -11 13  8  o 46.493  1.7995  290.687   22.315    301.858   31.747    279.779   31.372    47.381  2.5105  45.605  2.5788  1.775990       3.598993 
1 1 1 -11 13  9  o 168.447 3.4213  3817.23   154.359   3801.92   218.422   3832.51   218.172   168.107 4.8509  168.786 4.8259  -0.6788483     6.842503 
1 1 1 -11 13  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 13  11 f 60.210  1.9821  486.563   31.944    468.589   45.330    504.293   45.022    59.103  2.8635  61.317  2.7413  -2.214596      3.964116 
1 1 1 -11 13  12 o 36.547  1.8803  180.074   18.267    189.196   26.013    171.199   25.658    37.469  2.6082  35.624  2.7093  1.845188       3.760670 
1 1 1 -11 13  13 o 96.224  2.3543  1243.01   60.679    1240.47   85.821    1245.55   85.804    96.126  3.3332  96.322  3.3258  -0.1967926     4.708629 
1 1 1 -11 13  14 o 19.758  2.2133  53.729    11.310    52.574    16.274    54.808    15.730    19.533  3.2229  19.983  3.0343  -0.4494877     4.426539 
1 1 1 -11 13  15 f 99.596  2.3824  1332.73   63.522    1281.14   89.620    1384.81   90.051    97.654  3.4263  101.539 3.3111  -3.884636      4.764722 
1 1 1 -11 13  16 o 103.679 2.4629  1445.18   68.372    1399.09   96.436    1491.76   96.952    102.011 3.5294  105.346 3.4360  -3.334961      4.925710 
1 1 1 -11 13  17 o 205.488 4.0778  5725.85   224.425   5798.19   317.139   5653.30   317.630   206.806 5.7253  204.169 5.8082  2.636353       8.155631 
1 1 1 -11 13  18 o 167.632 3.4378  3804.39   154.246   3626.73   217.561   3983.94   218.717   163.658 4.9631  171.605 4.7584  -7.946381      6.875694 
1 1 1 -11 13  19 o 25.328  2.0493  88.241    13.437    103.456   18.921    72.757    19.086    27.624  2.5873  23.031  3.1787  4.592405       4.098560 
1 1 1 -11 13  20 o 62.741  2.0044  530.171   33.673    541.713   47.406    518.419   47.838    63.435  2.7901  62.046  2.8785  1.389168       4.008799 
1 1 1 -11 13  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 13  22 o 116.111 2.6736  1830.83   83.144    1803.19   117.121   1858.91   118.050   115.222 3.7950  117.001 3.7669  -1.778839      5.347142 
1 1 1 -11 13  23 o 75.048  2.1279  762.026   42.768    745.383   60.044    779.165   60.932    74.214  3.0206  75.883  2.9979  -1.669075      4.255748 
1 1 1 -11 13  24 o 108.258 2.5712  1596.85   74.551    1604.38   104.961   1589.19   105.909   108.528 3.6107  107.987 3.6616  0.5409622      5.142443 
1 1 1 -11 13  25 o 15.897  2.5568  35.718    10.695    28.794    14.825    43.232    15.443    14.263  3.8088  17.530  3.4119  -3.266170      5.113549 
1 1 1 -11 13  26 o 55.505  2.0235  419.248   29.991    434.266   42.028    403.667   42.809    56.580  2.7733  54.429  2.9473  2.150452       4.046959 
1 1 1 -11 13  27 o 20.637  2.4140  59.753    12.853    65.195    18.394    54.559    17.969    21.609  3.2811  19.664  3.5417  1.944542       4.827977 
1 1 1 -11 13  28 o 49.243  2.0467  332.617   26.828    349.624   37.612    315.002   38.279    50.570  2.7875  47.916  2.9976  2.653725       4.093409 
1 1 1 -11 13  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 13  30 o 14.254  2.9548  29.335    12.007    27.828    16.628    30.978    17.358    13.905  4.1493  14.602  4.2079  -0.6973619     5.909595 
1 1 1 -11 13  31 o 19.014  2.6992  52.925    13.255    58.264    18.499    47.292    19.001    20.114  3.5642  17.914  4.0544  2.200041       5.398303 
1 1 1 -11 13  32 o 5.8683  1.9403  -17.3118  8.4125    -1.4977   11.292    -37.0343  12.611    7.1464  3.1207  4.5902  2.3065  2.556249       3.880514 
1 1 1 -11 13  33 o 13.999  2.9306  28.728    12.341    39.781    17.303    17.285    17.605    16.308  3.9932  11.691  4.2905  4.617393       5.861286 
1 1 1 -11 13  34 o 32.338  2.2920  148.993   19.576    152.972   27.628    144.981   27.742    32.809  3.1840  31.867  3.2979  0.9412441      4.584052 
1 1 1 -11 13  35 o 14.599  3.1150  32.105    13.445    24.145    18.743    40.543    19.297    12.962  4.4603  16.237  4.3496  -3.274761      6.230084 
1 1 1 -11 13  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 13  37 o 10.754  2.7523  10.429    12.130    29.970    16.871    -10.4882  17.454    13.807  4.1930  7.7001  3.5665  6.107222       5.504642 
1 1 1 -11 14  1  o 231.905 4.5044  7250.14   279.793   7248.63   395.226   7251.66   396.150   231.883 6.3634  231.928 6.3770  -0.4516602E-01 9.008825 
1 1 1 -11 14  2  o 175.389 3.5457  4137.19   166.567   4158.16   235.417   4116.16   235.706   175.837 4.9985  174.942 5.0302  0.8949432      7.091397 
1 1 1 -11 14  3  o 156.903 3.2459  3309.10   136.413   3306.62   192.975   3311.57   192.859   156.844 4.5935  156.962 4.5873  -0.1180878     6.491805 
1 1 1 -11 14  4  o 210.293 4.0904  5958.13   230.395   5948.75   326.016   5967.49   325.640   210.126 5.7926  210.460 5.7767  -0.3342438     8.180700 
1 1 1 -11 14  5  o 21.745  1.9201  64.534    10.897    70.280    15.401    58.774    15.419    22.749  2.5728  20.740  2.8511  2.009109       3.840258 
1 1 1 -11 14  6  o 144.609 3.0377  2810.44   117.656   2842.34   166.678   2778.77   166.106   145.428 4.2790  143.789 4.3129  1.639481       6.075421 
1 1 1 -11 14  7  o 162.088 3.3490  3534.00   145.392   3572.87   205.933   3495.36   205.298   162.979 4.7174  161.196 4.7549  1.783112       6.697990 
1 1 1 -11 14  8  o 174.541 3.5066  4100.02   163.936   4114.71   232.186   4085.43   231.497   174.852 4.9576  174.229 4.9606  0.6238251      7.013286 
1 1 1 -11 14  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 14  10 o 61.700  1.9945  511.020   32.931    487.120   46.644    534.774   46.500    60.258  2.8900  63.142  2.7495  -2.883915      3.988929 
1 1 1 -11 14  11 o 119.442 2.6710  1916.46   85.452    1921.95   120.976   1910.99   120.720   119.613 3.7760  119.271 3.7788  0.3418198      5.342059 
1 1 1 -11 14  12 o 76.811  2.1062  792.278   43.288    751.320   61.224    833.220   61.213    74.820  3.0550  78.801  2.9001  -3.980873      4.212383 
1 1 1 -11 14  13 o 126.344 2.8178  2146.38   95.358    2155.28   134.900   2137.49   134.814   126.607 3.9780  126.081 3.9920  0.5255356      5.635683 
1 1 1 -11 14  14 o 62.177  1.9383  518.897   32.278    510.294   45.650    527.499   45.645    61.660  2.7640  62.693  2.7182  -1.033073      3.876655 
1 1 1 -11 14  15 o 170.365 3.4993  3919.32   159.672   3955.92   225.752   3882.69   225.869   171.168 4.9240  169.562 4.9732  1.605530       6.998509 
1 1 1 -11 14  16 o 42.562  1.9183  244.564   21.709    263.277   30.777    226.035   30.625    44.201  2.6112  40.922  2.8110  3.278885       3.836694 
1 1 1 -11 14  17 o 83.823  2.2198  945.451   49.829    921.163   70.297    969.977   70.643    82.736  3.1721  84.909  3.1062  -2.172256      4.439692 
1 1 1 -11 14  18 o 66.020  2.0176  586.458   35.676    579.021   50.356    593.954   50.551    65.598  2.8660  66.441  2.8406  -0.8432693     4.035171 
1 1 1 -11 14  19 o 37.934  1.8819  194.844   18.953    210.487   26.870    179.354   26.738    39.473  2.5552  36.395  2.7634  3.077995       3.763717 
1 1 1 -11 14  20 o 88.694  3.2188  1062.85   76.467    1062.85   76.467    0.0000    0.0000    88.694  3.2188  ?       ?       ?              ?        
1 1 1 -11 14  21 o 18.303  2.3512  48.021    10.897    65.723    15.432    30.416    15.390    21.912  2.6856  14.694  3.8601  7.218160       4.702460 
1 1 1 -11 14  22 o 53.499  1.9635  387.913   28.031    394.015   39.393    381.653   39.897    53.935  2.7358  53.062  2.8173  0.8730965      3.926997 
1 1 1 -11 14  23 o 46.878  1.9717  299.483   24.511    332.632   34.568    265.962   34.761    49.545  2.6141  44.212  2.9523  5.332474       3.943301 
1 1 1 -11 14  24 o 81.200  2.2421  897.965   48.647    963.740   68.540    831.196   69.056    84.252  3.0372  78.149  3.2991  6.103218       4.484258 
1 1 1 -11 14  25 o 99.786  2.5180  1363.06   67.255    1409.23   94.707    1316.08   95.524    101.537 3.4823  98.034  3.6379  3.503601       5.035933 
1 1 1 -11 14  26 o 27.653  2.1136  105.239   15.393    99.871    21.403    110.989   22.153    26.907  3.0221  28.399  2.9556  -1.491863      4.227140 
1 1 1 -11 14  27 o 36.682  2.0425  184.668   19.900    179.263   27.790    190.357   28.511    36.126  2.8963  37.239  2.8808  -1.112396      4.085024 
1 1 1 -11 14  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 14  29 o 42.292  2.0507  246.870   23.065    231.899   32.106    262.837   33.157    40.942  2.9474  43.643  2.8521  -2.700954      4.101476 
1 1 1 -11 14  30 o 17.820  2.8159  46.584    13.112    42.101    18.197    51.425    18.909    16.887  4.0707  18.754  3.8917  -1.867680      5.631749 
1 1 1 -11 14  31 o 12.260  2.8282  19.579    11.279    9.1318    15.465    31.452    16.486    9.9528  3.9292  14.567  4.0688  -4.614006      5.656310 
1 1 1 -11 14  32 f 27.130  2.3705  105.065   16.844    100.393   23.277    110.201   24.405    26.488  3.3562  27.771  3.3485  -1.283096      4.740916 
1 1 1 -11 14  33 o 10.112  2.5154  1.8984    10.906    -21.5277  14.829    29.489    16.094    6.1765  2.9807  14.048  4.0528  -7.871702      5.030887 
1 1 1 -11 14  34 o 30.053  2.4437  130.727   19.264    138.165   27.051    123.072   27.440    31.021  3.3066  29.085  3.5991  1.936420       4.887438 
1 1 1 -11 14  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 14  36 o 12.167  2.9697  19.470    12.736    5.6572    17.571    34.758    18.486    9.5576  4.0256  14.776  4.3669  -5.218915      5.939354 
1 1 1 -11 15  1  o 179.779 3.6097  4349.34   173.811   4297.77   245.296   4401.35   246.320   178.705 5.1247  180.852 5.0849  -2.147400      7.219337 
1 1 1 -11 15  2  o 79.719  2.1253  852.532   45.380    848.496   63.972    856.619   64.384    79.529  3.0031  79.908  3.0081  -0.3795624     4.250607 
1 1 1 -11 15  3  o 29.200  1.8086  115.287   13.985    109.002   19.765    121.587   19.790    28.389  2.6292  30.011  2.4844  -1.621515      3.617298 
1 1 1 -11 15  4  o 70.069  2.0274  658.593   38.048    667.209   53.924    650.049   53.693    70.526  2.8546  69.613  2.8797  0.9138336      4.054756 
1 1 1 -11 15  5  o 219.436 4.3110  6497.20   253.380   6462.69   358.546   6531.64   358.120   218.848 6.1167  220.023 6.0767  -1.175034      8.622077 
1 1 1 -11 15  6  o 122.740 2.7247  2023.73   89.576    2024.63   126.935   2022.85   126.427   122.766 3.8602  122.714 3.8464  0.5263519E-01  5.449437 
1 1 1 -11 15  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 15  8  o 126.563 2.7691  2152.15   93.870    2152.42   133.110   2151.88   132.398   126.570 3.9264  126.556 3.9058  0.1381683E-01  5.538202 
1 1 1 -11 15  9  o 98.037  2.3896  1290.81   62.674    1370.80   89.062    1212.34   88.213    101.053 3.2905  95.021  3.4660  6.032127       4.779127 
1 1 1 -11 15  10 o 18.682  2.3266  48.640    11.096    60.740    15.854    37.021    15.536    21.082  2.8833  16.281  3.6524  4.800449       4.653298 
1 1 1 -11 15  11 o 129.294 2.8170  2247.56   97.552    2277.34   138.107   2217.91   137.813   130.151 3.9617  128.436 4.0060  1.715012       5.634100 
1 1 1 -11 15  12 o 135.863 2.9398  2483.77   106.980   2502.13   151.375   2465.44   151.210   136.367 4.1444  135.359 4.1707  1.007477       5.879634 
1 1 1 -11 15  13 o 53.106  1.8892  379.029   26.819    389.050   38.064    369.150   37.794    53.839  2.6395  52.372  2.7035  1.467194       3.778332 
1 1 1 -11 15  14 o 140.130 2.9897  2648.28   112.133   2767.90   158.725   2529.10   158.435   143.310 4.1351  136.949 4.3192  6.360535       5.979468 
1 1 1 -11 15  15 o 180.051 3.6519  4391.95   176.119   4401.56   249.033   4382.33   249.106   180.251 5.1581  179.851 5.1711  0.3993683      7.303869 
1 1 1 -11 15  16 o 36.791  1.8987  182.915   18.582    182.376   26.279    183.453   26.279    36.736  2.6894  36.846  2.6811  -0.1097908     3.797489 
1 1 1 -11 15  17 o 58.894  1.9817  467.810   31.147    501.453   44.140    434.447   43.956    61.053  2.6992  56.735  2.9023  4.318199       3.963466 
1 1 1 -11 15  18 o 44.124  4.3738  266.966   51.011    0.0000    0.0000    266.966   51.011    ?       ?       44.124  4.3738  ?              ?        
1 1 1 -11 15  19 o 61.927  1.9997  517.295   33.168    516.767   46.782    517.828   47.034    61.896  2.8218  61.957  2.8342  -0.6161118E-01 3.999397 
1 1 1 -11 15  20 o 41.683  1.9097  235.437   21.190    223.679   29.750    247.544   30.189    40.614  2.7510  42.753  2.6493  -2.139515      3.819305 
1 1 1 -11 15  21 o 31.906  1.9868  139.736   16.526    168.146   23.524    112.051   23.221    35.211  2.5107  28.600  3.0799  6.610456       3.973564 
1 1 1 -11 15  22 o 33.790  1.9974  156.915   17.660    184.650   24.945    129.048   25.004    36.884  2.5405  30.695  3.0829  6.189213       3.994825 
1 1 1 -11 15  23 o 41.864  1.9526  238.372   21.753    225.346   30.475    251.904   31.060    40.681  2.8141  43.047  2.7076  -2.366215      3.905150 
1 1 1 -11 15  24 o 71.959  2.1551  704.658   41.535    700.839   58.413    708.564   59.072    71.766  3.0388  72.153  3.0566  -0.3877716     4.310128 
1 1 1 -11 15  25 o 37.779  2.0100  195.300   20.190    195.391   28.424    195.207   28.684    37.792  2.8285  37.766  2.8567  0.2559662E-01  4.020089 
1 1 1 -11 15  26 o 27.427  2.1741  104.207   15.665    111.854   22.329    96.794    21.982    28.459  2.9732  26.396  3.1728  2.063004       4.348177 
1 1 1 -11 15  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 15  28 o 29.310  2.2195  120.096   17.129    125.107   24.061    114.947   24.391    29.974  3.0390  28.646  3.2356  1.327635       4.439001 
1 1 1 -11 15  29 o 27.855  2.2833  109.341   16.584    94.070    23.061    125.696   23.865    25.729  3.4318  29.980  3.0128  -4.250568      4.566595 
1 1 1 -11 15  30 o 29.582  2.2401  123.547   17.390    110.073   24.241    137.837   24.963    27.832  3.3171  31.332  3.0116  -3.499769      4.480268 
1 1 1 -11 15  31 o 13.750  3.0077  27.739    12.270    23.800    17.129    31.890    17.585    12.899  4.2636  14.601  4.2435  -1.701448      6.015404 
1 1 1 -11 15  32 o 13.146  2.8999  24.278    12.262    37.687    17.149    10.253    17.539    15.827  4.0335  10.465  4.1676  5.362416       5.799820 
1 1 1 -11 15  33 o 32.417  2.3718  151.183   20.263    157.333   28.386    144.792   28.934    33.170  3.2362  31.663  3.4684  1.506548       4.743690 
1 1 1 -11 15  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 15  35 o 14.391  3.0495  32.199    13.578    46.650    19.067    17.331    19.340    17.210  4.1782  11.573  4.4431  5.637367       6.099067 
1 1 1 -11 16  1  o 113.208 2.5457  1720.89   77.192    1710.71   108.744   1731.23   109.594   112.871 3.5969  113.546 3.6035  -0.6743698     5.091496 
1 1 1 -11 16  2  o 91.386  2.3163  1120.93   56.691    1098.22   79.929    1143.92   80.420    90.454  3.2990  92.319  3.2522  -1.865578      4.632567 
1 1 1 -11 16  3  o 88.844  2.2389  1059.39   53.269    1036.47   75.234    1082.44   75.435    87.879  3.1963  89.810  3.1359  -1.931175      4.477704 
1 1 1 -11 16  4  o 84.301  2.2017  953.797   49.710    939.220   70.360    968.324   70.241    83.657  3.1401  84.946  3.0872  -1.289238      4.403471 
1 1 1 -11 16  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 16  6  o 81.483  2.1789  891.105   47.547    875.867   67.325    906.268   67.159    80.786  3.1114  82.179  3.0511  -1.393356      4.357711 
1 1 1 -11 16  7  o 81.321  2.1575  887.434   46.992    891.987   66.748    882.960   66.169    81.527  3.0567  81.114  3.0456  0.4129868      4.314933 
1 1 1 -11 16  8  o 154.444 3.2502  3210.05   134.452   3232.22   190.490   3188.04   189.800   154.977 4.5890  153.912 4.6040  1.065155       6.500441 
1 1 1 -11 16  9  o 161.419 3.3458  3508.90   144.642   3579.89   204.958   3438.46   204.154   163.053 4.6930  159.785 4.7702  3.267761       6.691670 
1 1 1 -11 16  10 o 50.971  1.8990  349.524   25.832    357.064   36.759    342.167   36.309    51.516  2.6731  50.425  2.6981  1.091160       3.798080 
1 1 1 -11 16  11 o 109.082 2.5304  1599.76   73.932    1601.47   104.720   1598.06   104.392   109.140 3.5823  109.025 3.5748  0.1154099      5.060825 
1 1 1 -11 16  12 o 22.881  2.1614  72.824    12.559    55.383    17.851    89.918    17.673    20.012  3.4552  25.751  2.5978  -5.739122      4.322834 
1 1 1 -11 16  13 o 162.055 3.3470  3549.54   145.271   3508.22   205.495   3590.83   205.394   161.102 4.7622  163.006 4.7043  -1.903839      6.693966 
1 1 1 -11 16  14 o 63.610  2.0400  544.462   34.698    583.822   49.258    505.697   48.884    65.902  2.7905  61.319  2.9763  4.583416       4.079905 
1 1 1 -11 16  15 o 49.303  1.9397  328.038   25.485    347.520   36.215    308.926   35.870    50.767  2.6727  47.839  2.8118  2.928246       3.879324 
1 1 1 -11 16  16 o 145.728 3.1588  2882.83   123.293   2916.27   174.356   2849.38   174.368   146.585 4.4408  144.871 4.4936  1.713760       6.317685 
1 1 1 -11 16  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 16  18 o 56.737  1.9706  434.338   29.947    429.784   42.229    438.945   42.474    56.437  2.7936  57.037  2.7802  -0.6003647     3.941264 
1 1 1 -11 16  19 o 18.517  2.3505  47.859    11.228    47.668    16.007    48.043    15.753    18.473  3.3588  18.561  3.2890  -0.8825874E-01 4.700934 
1 1 1 -11 16  20 o 45.185  1.9246  276.997   23.184    280.104   32.773    273.885   32.800    45.443  2.7047  44.927  2.7388  0.5161629      3.849218 
1 1 1 -11 16  21 f 58.423  2.0402  463.380   31.840    483.108   44.905    443.431   45.155    59.730  2.8068  57.116  2.9618  2.614395       4.080472 
1 1 1 -11 16  22 o 20.733  2.4104  60.913    12.648    77.988    18.018    44.322    17.760    23.809  2.8842  17.657  3.8628  6.151937       4.820764 
1 1 1 -11 16  23 o 35.392  2.0381  171.401   19.143    176.403   26.981    166.330   27.165    35.929  2.8264  34.854  2.9372  1.075157       4.076250 
1 1 1 -11 16  24 o 31.411  2.0699  135.679   17.196    137.960   23.929    133.242   24.728    31.708  2.8479  31.115  3.0044  0.5930996      4.139729 
1 1 1 -11 16  25 o 21.197  2.5039  63.687    13.642    54.822    19.161    72.801    19.428    19.589  3.7889  22.806  3.2745  -3.216860      5.007807 
1 1 1 -11 16  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 16  27 o 7.2004  2.2844  -6.1822   9.2555    -10.9714  12.890    -1.0857   13.297    6.5310  3.0387  7.8697  3.4119  -1.338740      4.568896 
1 1 1 -11 16  28 o 26.414  2.3822  99.653    16.246    114.793   22.846    84.165    23.107    28.625  3.0257  24.203  3.6803  4.421503       4.764342 
1 1 1 -11 16  29 o 36.303  2.1661  185.305   20.824    194.661   29.179    175.594   29.727    37.307  2.9440  35.299  3.1782  2.008438       4.332188 
1 1 1 -11 16  30 o 8.1261  2.4363  -2.4350   9.9176    -14.0360  13.900    9.5959    14.155    6.5101  3.0691  9.7421  3.7845  -3.231933      4.872556 
1 1 1 -11 16  31 o 12.510  2.9542  21.075    12.250    10.347    17.229    32.042    17.419    10.424  4.1372  14.595  4.2181  -4.170916      5.908353 
1 1 1 -11 16  32 o 27.184  2.5535  107.740   18.126    108.246   25.366    107.212   25.912    27.283  3.5557  27.085  3.6659  0.1977291      5.107001 
1 1 1 -11 16  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 16  34 o 12.793  3.0227  23.274    13.125    37.478    18.662    9.3709    18.463    15.343  4.3443  10.244  4.2039  5.099603       6.045325 
1 1 1 -11 17  1  o 54.328  1.8906  396.244   27.444    376.694   38.416    416.620   39.219    52.923  2.7193  55.733  2.6272  -2.810051      3.781100 
1 1 1 -11 17  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 17  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 17  4  o 177.306 3.5959  4236.27   170.662   4059.51   241.251   4413.34   241.455   173.581 5.1889  181.031 4.9796  -7.449554      7.191748 
1 1 1 -11 17  5  o 93.897  2.3429  1183.79   58.909    1218.41   83.544    1149.56   83.078    95.265  3.2741  92.529  3.3521  2.736069       4.685753 
1 1 1 -11 17  6  o 164.072 3.3573  3624.56   147.539   3645.98   208.955   3603.26   208.348   164.556 4.7408  163.587 4.7550  0.9694366      6.714553 
1 1 1 -11 17  7  o 226.756 4.4173  6954.45   268.282   6894.08   379.629   7014.68   379.187   225.762 6.2780  227.750 6.2159  -1.988113      8.834641 
1 1 1 -11 17  8  o 79.667  2.1613  852.285   46.112    842.060   65.506    862.328   64.921    79.191  3.0883  80.142  3.0244  -0.9517059     4.322547 
1 1 1 -11 17  9  o 81.780  2.2143  898.388   48.501    895.486   68.837    901.249   68.347    81.648  3.1477  81.913  3.1151  -0.2648163     4.428524 
1 1 1 -11 17  10 o 100.764 2.4804  1365.55   66.942    1385.19   94.980    1346.16   94.362    101.486 3.4941  100.042 3.5215  1.443611       4.960838 
1 1 1 -11 17  11 o 92.584  2.3601  1153.05   58.521    1175.97   83.039    1130.44   82.488    93.501  3.3157  91.667  3.3596  1.833565       4.720256 
1 1 1 -11 17  12 o 47.786  1.9689  307.982   25.041    333.488   35.754    283.423   35.083    49.746  2.6934  45.827  2.8727  3.918819       3.937861 
1 1 1 -11 17  13 o 157.454 3.3094  3359.48   139.570   3360.96   197.510   3358.01   197.253   157.488 4.6822  157.420 4.6782  0.6759644E-01  6.618800 
1 1 1 -11 17  14 o 62.515  2.0246  526.093   33.900    530.623   48.124    521.631   47.762    62.782  2.8618  62.247  2.8647  0.5345459      4.049218 
1 1 1 -11 17  15 o 85.676  2.2821  990.802   52.370    988.044   74.168    993.544   73.959    85.555  3.2365  85.797  3.2183  -0.2415314     4.564294 
1 1 1 -11 17  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 17  17 o 18.248  2.3516  46.738    11.022    39.425    15.615    53.999    15.561    16.734  3.5914  19.763  3.0368  -3.028944      4.703198 
1 1 1 -11 17  18 o 20.421  2.2516  58.326    11.744    46.702    16.562    70.082    16.656    18.243  3.5170  22.600  2.8124  -4.357147      4.503159 
1 1 1 -11 17  19 o 63.760  2.0574  550.665   35.128    564.299   49.710    537.064   49.648    64.557  2.8748  62.963  2.9439  1.593845       4.114738 
1 1 1 -11 17  20 o 62.982  2.0654  538.161   34.815    563.733   49.292    512.703   49.181    64.494  2.8534  61.471  2.9870  3.023148       4.130898 
1 1 1 -11 17  21 o 16.882  2.5540  41.117    11.276    28.936    16.137    52.742    15.764    14.309  4.0356  19.455  3.1315  -5.146021      5.108050 
1 1 1 -11 17  22 f 42.217  2.0109  243.761   22.546    224.724   31.918    262.719   31.851    40.528  2.9608  43.906  2.7219  -3.377483      4.021793 
1 1 1 -11 17  23 o 30.648  2.1603  130.652   17.176    156.967   24.371    104.683   24.210    33.863  2.7096  27.433  3.3654  6.430016       4.320652 
1 1 1 -11 17  24 f 37.373  2.0902  192.669   20.643    170.299   29.014    215.600   29.376    35.102  3.1185  39.644  2.7841  -4.542217      4.180465 
1 1 1 -11 17  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 17  26 o 9.7248  2.6536  8.3144    10.151    14.900    14.078    1.1819    14.650    10.879  3.8568  8.5702  3.6459  2.309139       5.307286 
1 1 1 -11 17  27 o 11.797  2.7844  17.652    11.087    28.802    15.603    6.2831    15.756    14.018  3.9736  9.5763  3.9014  4.441540       5.568706 
1 1 1 -11 17  28 o 11.205  2.8420  15.780    10.926    11.985    15.201    19.837    15.716    10.400  3.9519  12.010  4.0853  -1.610504      5.683912 
1 1 1 -11 17  29 o 5.4606  1.8725  -19.7276  8.5170    -15.2999  12.286    -23.8242  11.818    5.8678  2.8005  5.0534  2.4864  0.8144107      3.745023 
1 1 1 -11 17  30 o 27.053  2.4949  105.924   17.592    113.043   24.741    98.643    25.020    28.077  3.3564  26.029  3.6921  2.047935       4.989758 
1 1 1 -11 17  31 o 22.355  2.8320  75.033    16.260    85.644    22.985    64.403    23.006    24.160  3.6670  20.551  4.3168  3.609369       5.664098 
1 1 1 -11 17  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 17  33 o 14.517  2.5893  27.745    13.529    65.395    19.141    -9.8402   19.124    20.860  3.5530  8.1739  3.7674  12.68652       5.178545 
1 1 1 -11 18  1  o 52.576  1.8908  371.260   26.576    361.442   37.364    381.314   37.807    51.836  2.7004  53.316  2.6475  -1.479645      3.781701 
1 1 1 -11 18  2  o 84.889  2.2304  967.324   50.713    957.700   71.527    977.052   71.913    84.464  3.1616  85.314  3.1470  -0.8500290     4.460895 
1 1 1 -11 18  3  o 121.660 2.7242  1990.00   88.706    1896.21   125.131   2084.74   125.769   118.768 3.9335  124.551 3.7699  -5.783279      5.448364 
1 1 1 -11 18  4  o 86.269  2.2158  999.183   51.199    1005.85   72.412    992.517   72.401    86.557  3.1234  85.980  3.1438  0.5769806      4.431584 
1 1 1 -11 18  5  o 126.179 2.7869  2142.01   94.126    2052.15   133.105   2231.90   133.123   123.520 4.0232  128.839 3.8576  -5.318329      5.573769 
1 1 1 -11 18  6  o 155.135 3.2513  3243.00   135.085   3190.78   191.215   3295.04   190.864   153.879 4.6393  156.390 4.5564  -2.510925      6.502636 
1 1 1 -11 18  7  o 154.536 3.2414  3219.68   134.162   3190.18   189.971   3249.03   189.497   153.824 4.6108  155.248 4.5571  -1.424438      6.482786 
1 1 1 -11 18  8  o 98.968  2.4186  1317.28   64.112    1308.78   90.908    1325.69   90.429    98.648  3.4405  99.288  3.4003  -0.6401215     4.837287 
1 1 1 -11 18  9  o 45.713  1.9157  281.677   23.349    280.481   33.175    282.850   32.869    45.614  2.7278  45.811  2.6906  -0.1969452     3.831460 
1 1 1 -11 18  10 o 22.508  2.3602  70.012    13.699    61.287    19.478    78.552    19.270    21.042  3.5844  23.973  3.0716  -2.931524      4.720465 
1 1 1 -11 18  11 o 30.794  2.0135  128.665   16.361    141.981   23.399    115.926   22.887    32.383  2.7229  29.205  2.9670  3.178547       4.027061 
1 1 1 -11 18  12 o 170.205 3.5115  3938.84   160.083   3922.25   226.610   3955.35   226.173   169.840 4.9814  170.571 4.9505  -0.7310333     7.022938 
1 1 1 -11 18  13 o 48.529  1.9362  318.084   25.042    336.393   35.689    300.328   35.147    49.918  2.6791  47.141  2.7961  2.777149       3.872391 
1 1 1 -11 18  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 18  15 o 19.414  2.3071  52.638    11.499    44.954    16.289    60.270    16.235    17.910  3.5211  20.917  2.9821  -3.007696      4.614242 
1 1 1 -11 18  16 o 44.030  1.9448  262.974   22.808    254.278   32.353    271.565   32.158    43.292  2.8051  44.767  2.6944  -1.474819      3.889557 
1 1 1 -11 18  17 o 13.902  2.5116  27.254    9.6958    17.550    13.711    36.960    13.713    11.583  3.8139  16.221  3.2691  -4.638146      5.023226 
1 1 1 -11 18  18 o 63.584  2.0587  547.950   35.055    535.408   49.562    560.505   49.588    62.847  2.9443  64.321  2.8783  -1.473232      4.117438 
1 1 1 -11 18  19 o 30.466  2.0141  126.946   16.225    134.396   23.076    119.663   22.816    31.373  2.7747  29.559  2.9200  1.814667       4.028132 
1 1 1 -11 18  20 o 29.932  2.0516  122.910   16.216    115.558   22.892    130.315   22.975    29.003  2.9896  30.860  2.8104  -1.856766      4.103183 
1 1 1 -11 18  21 o 33.506  2.0596  154.043   18.270    164.243   25.949    144.017   25.728    34.638  2.8215  32.374  3.0012  2.264320       4.119228 
1 1 1 -11 18  22 o 50.106  2.0494  343.795   27.387    341.122   38.767    346.458   38.696    49.906  2.9128  50.307  2.8838  -0.4012184     4.098888 
1 1 1 -11 18  23 o 32.912  2.0971  150.013   18.206    163.765   25.627    136.001   25.869    34.505  2.7969  31.319  3.1255  3.186007       4.194170 
1 1 1 -11 18  24 o 14.428  4.2523  30.058    17.549    30.058    17.549    0.0000    0.0000    14.428  4.2523  ?       ?       ?              ?        
1 1 1 -11 18  25 o 13.124  2.8726  23.963    11.459    32.618    16.487    15.876    15.938    14.917  4.0308  11.331  4.0938  3.586643       5.745142 
1 1 1 -11 18  26 f 10.619  2.6100  11.478    10.488    -4.6665   15.306    25.766    14.399    7.9452  3.5434  13.293  3.8331  -5.348034      5.220014 
1 1 1 -11 18  27 o 14.312  2.9362  30.084    12.169    38.439    17.423    22.127    17.003    16.044  4.0530  12.579  4.2495  3.464968       5.872371 
1 1 1 -11 18  28 o 14.966  2.9176  33.029    12.848    17.948    18.028    48.598    18.316    11.852  4.3430  18.080  3.8971  -6.227723      5.835135 
1 1 1 -11 18  29 o 14.174  3.0250  29.320    12.936    18.511    17.963    40.964    18.644    11.915  4.3398  16.433  4.2152  -4.517904      6.049971 
1 1 1 -11 18  30 o 42.959  2.2366  262.653   25.546    256.928   35.563    268.756   36.720    42.486  3.1475  43.432  3.1786  -0.9460564     4.473230 
1 1 1 -11 18  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 19  1  o 136.294 2.9279  2498.99   106.885   2487.45   150.655   2510.68   151.666   135.978 4.1364  136.611 4.1449  -0.6322937     5.855776 
1 1 1 -11 19  2  o 156.574 3.2800  3302.58   137.550   3253.31   194.120   3352.27   194.932   155.396 4.6638  157.752 4.6134  -2.355942      6.560075 
1 1 1 -11 19  3  o 51.992  1.9371  363.815   26.881    364.009   38.045    363.622   37.987    52.006  2.7409  51.979  2.7381  0.2746964E-01  3.874240 
1 1 1 -11 19  4  o 107.085 2.5308  1542.29   72.554    1484.92   102.525   1599.85   102.688   105.082 3.6426  109.088 3.5144  -4.006416      5.061591 
1 1 1 -11 19  5  o 132.420 2.9238  2361.99   103.702   2375.70   146.850   2348.35   146.464   132.804 4.1283  132.035 4.1415  0.7691345      5.847626 
1 1 1 -11 19  6  o 36.118  1.9520  176.204   18.735    176.889   26.840    175.553   26.164    36.183  2.7910  36.052  2.7297  0.1305962      3.903983 
1 1 1 -11 19  7  o 25.663  2.0859  89.682    14.074    89.761    20.096    89.606    19.717    25.670  2.9781  25.656  2.9214  0.1423645E-01  4.171726 
1 1 1 -11 19  8  o 69.382  2.1120  647.574   39.239    635.972   55.747    658.967   55.240    68.762  3.0268  70.002  2.9461  -1.240059      4.223905 
1 1 1 -11 19  9  o 117.376 2.7414  1859.97   86.185    1880.62   122.262   1839.58   121.508   118.025 3.8675  116.726 3.8864  1.299690       5.482851 
1 1 1 -11 19  10 o 53.153  1.9748  381.213   28.016    383.379   39.851    379.097   39.393    53.302  2.8011  53.005  2.7845  0.2968941      3.949625 
1 1 1 -11 19  11 o 86.106  2.2596  1000.19   52.098    1032.22   73.998    968.714   73.363    87.480  3.1581  84.732  3.2325  2.748169       4.519119 
1 1 1 -11 19  12 o 110.120 5.4920  1664.85   161.988   0.0000    0.0000    1664.85   161.988   ?       ?       110.120 5.4920  ?              ?        
1 1 1 -11 19  13 o 39.586  2.8148  212.507   29.651    212.507   29.651    0.0000    0.0000    39.586  2.8148  ?       ?       ?              ?        
1 1 1 -11 19  14 o 67.689  2.0964  619.638   38.002    609.789   53.872    629.394   53.616    67.147  2.9953  68.231  2.9337  -1.084457      4.192721 
1 1 1 -11 19  15 o 23.637  2.1594  76.849    13.334    81.765    19.100    72.176    18.624    24.399  2.9848  22.874  3.1213  1.525064       4.318717 
1 1 1 -11 19  16 o 54.753  2.0063  406.910   29.318    416.745   41.667    397.266   41.259    55.415  2.8165  54.091  2.8579  1.324528       4.012505 
1 1 1 -11 19  17 o 37.171  1.9782  188.410   19.527    180.233   27.794    196.381   27.441    36.352  2.8781  37.991  2.7146  -1.639668      3.956304 
1 1 1 -11 19  18 o 51.314  2.0281  358.639   27.753    349.408   39.412    367.717   39.086    50.643  2.9179  51.986  2.8175  -1.343567      4.056169 
1 1 1 -11 19  19 o 18.075  2.5935  46.215    12.123    53.241    17.605    39.878    16.718    19.438  3.5107  16.712  3.8184  2.725639       5.186978 
1 1 1 -11 19  20 o 41.374  2.0410  234.475   22.444    249.227   31.863    219.948   31.620    42.698  2.8016  40.049  2.9688  2.648449       4.081944 
1 1 1 -11 19  21 o 45.264  2.0653  281.183   24.902    286.548   35.327    275.883   35.108    45.702  2.9010  44.826  2.9403  0.8762283      4.130511 
1 1 1 -11 19  22 o 47.493  5.1517  327.559   64.485    0.0000    0.0000    327.559   64.485    ?       ?       47.493  5.1517  ?              ?        
1 1 1 -11 19  23 o 33.557  2.2191  157.774   19.474    132.334   27.498    183.372   27.582    30.694  3.4019  36.421  2.8502  -5.726835      4.438102 
1 1 1 -11 19  24 o 20.713  2.6225  62.732    13.892    52.231    20.081    72.368    19.237    18.838  4.0966  22.587  3.2752  -3.749310      5.244927 
1 1 1 -11 19  25 o 14.707  2.9565  32.088    12.366    25.620    17.699    38.256    17.284    13.365  4.3296  16.049  4.0271  -2.684372      5.912988 
1 1 1 -11 19  26 o 21.620  2.6382  68.287    14.713    64.887    20.876    71.642    20.738    21.018  3.8501  22.222  3.6079  -1.203814      5.276377 
1 1 1 -11 19  27 o 20.498  2.8662  63.640    15.168    87.128    21.671    41.085    21.237    24.619  3.3753  16.377  4.6334  8.242529       5.732487 
1 1 1 -11 19  28 o 26.725  2.5465  103.811   17.730    109.788   25.034    97.796    25.113    27.582  3.4650  25.867  3.7327  1.715515       5.093094 
1 1 1 -11 19  29 o 18.979  3.1154  55.628    15.549    51.524    21.923    59.782    22.056    18.201  4.5180  19.758  4.2906  -1.556496      6.230699 
1 1 1 -11 19  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 20  1  o 67.117  2.0222  604.906   36.350    605.702   51.096    604.091   51.724    67.163  2.8403  67.071  2.8792  0.9180450E-01  4.044370 
1 1 1 -11 20  2  o 91.695  2.3286  1130.23   57.186    1110.40   80.556    1150.37   81.195    90.883  3.3092  92.507  3.2769  -1.624565      4.657167 
1 1 1 -11 20  3  o 39.290  1.9156  208.349   19.993    191.509   28.032    225.785   28.523    37.656  2.7993  40.924  2.6158  -3.267929      3.831275 
1 1 1 -11 20  4  o 82.701  2.2404  919.804   49.625    931.614   70.244    908.037   70.116    83.232  3.1508  82.169  3.1858  1.063713       4.480753 
1 1 1 -11 20  5  o 47.711  1.9646  306.891   24.994    312.687   35.664    301.297   35.039    48.156  2.7768  47.267  2.7798  0.8885918      3.929134 
1 1 1 -11 20  6  o 140.331 3.0677  2662.57   115.306   2653.54   163.208   2671.56   162.926   140.090 4.3496  140.572 4.3272  -0.4815063     6.135388 
1 1 1 -11 20  7  o 26.221  2.1125  94.464    14.384    79.561    20.440    109.084   20.245    24.087  3.2511  28.354  2.6982  -4.267097      4.224911 
1 1 1 -11 20  8  o 29.292  2.0188  117.257   15.498    101.377   22.003    132.894   21.834    27.262  3.0664  31.323  2.6267  -4.060715      4.037662 
1 1 1 -11 20  9  o 25.340  2.0826  87.759    13.837    94.462    19.652    81.167    19.487    26.332  2.8308  24.348  3.0554  1.983471       4.165215 
1 1 1 -11 20  10 o 42.925  1.9945  249.700   22.782    240.654   32.503    258.436   31.941    42.144  2.8969  43.706  2.7424  -1.561852      3.989081 
1 1 1 -11 20  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 20  12 o 81.771  2.2398  905.398   49.052    896.684   69.643    913.978   69.101    81.373  3.1953  82.170  3.1397  -0.7966309     4.479675 
1 1 1 -11 20  13 o 50.032  2.0137  339.709   26.866    334.088   38.216    345.202   37.777    49.612  2.8884  50.451  2.8066  -0.8396263     4.027383 
1 1 1 -11 20  14 o 38.798  1.9817  204.745   20.432    217.278   29.125    192.599   28.671    39.987  2.7357  37.609  2.8677  2.378162       3.963349 
1 1 1 -11 20  15 o 12.762  2.6563  21.946    10.134    31.612    14.498    12.710    14.171    14.927  3.6552  10.596  3.8553  4.331695       5.312599 
1 1 1 -11 20  16 o 39.605  2.0112  214.453   21.087    191.156   29.814    237.773   29.829    37.396  3.0018  41.813  2.6775  -4.417706      4.022402 
1 1 1 -11 20  17 o 56.887  2.0867  440.757   31.688    470.060   45.160    412.335   44.476    58.815  2.8667  54.959  3.0330  3.856071       4.173382 
1 1 1 -11 20  18 o 28.449  2.1720  112.217   16.129    96.509    22.831    127.868   22.790    26.365  3.3057  30.533  2.8184  -4.168728      4.344090 
1 1 1 -11 20  19 o 34.501  2.0751  163.886   18.945    151.489   26.799    176.270   26.785    33.149  3.0526  35.852  2.8118  -2.702538      4.150233 
1 1 1 -11 20  20 o 20.258  2.5402  58.342    13.274    60.965    18.864    55.770    18.681    20.740  3.5217  19.776  3.6617  0.9646835      5.080367 
1 1 1 -11 20  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 20  22 o 37.258  2.1691  193.691   21.313    169.585   30.027    218.167   30.257    34.812  3.2582  39.704  2.8644  -4.891762      4.338260 
1 1 1 -11 20  23 o 42.017  2.1155  246.098   23.634    235.667   33.423    256.528   33.424    41.085  3.0592  42.948  2.9229  -1.863087      4.231050 
1 1 1 -11 20  24 f 10.171  2.7598  9.4764    11.062    0.5131    15.821    18.049    15.472    8.7188  3.7508  11.622  4.0494  -2.903553      5.519638 
1 1 1 -11 20  25 o 8.1275  2.5022  -1.0199   10.209    -2.4287   14.720    0.2861    14.172    8.0196  3.5308  8.2354  3.5464  -0.2158461     5.004356 
1 1 1 -11 20  26 o 29.716  2.3049  125.901   18.040    129.794   25.746    122.148   25.284    30.185  3.2348  29.247  3.2843  0.9376850      4.609853 
1 1 1 -11 20  27 o 10.909  2.9550  13.335    12.123    16.920    17.565    10.074    16.754    11.554  4.2777  10.264  4.0778  1.289601       5.909938 
1 1 1 -11 20  28 o 15.079  3.2126  35.183    14.180    29.490    20.157    40.761    19.952    13.974  4.6253  16.183  4.4599  -2.208837      6.425266 
1 1 1 -11 20  29 o 10.555  4.1718  12.100    17.452    12.100    17.452    0.0000    0.0000    10.555  4.1718  ?       ?       ?              ?        
1 1 1 -11 21  1  o 169.156 3.4649  3872.35   156.983   3838.38   221.341   3906.74   222.680   168.407 4.9070  169.905 4.8931  -1.498138      6.929703 
1 1 1 -11 21  2  o 82.009  2.2002  904.758   48.328    897.947   67.985    911.715   68.712    81.697  3.1068  82.320  3.1163  -0.6228104     4.400397 
1 1 1 -11 21  3  o 23.728  2.2646  77.194    13.999    82.472    19.883    72.007    19.712    24.565  3.0902  22.891  3.3113  1.674202       4.529244 
1 1 1 -11 21  4  o 97.225  2.4128  1274.34   62.812    1232.48   88.614    1316.61   89.046    95.611  3.4602  98.839  3.3636  -3.227623      4.825635 
1 1 1 -11 21  5  o 73.200  2.1559  721.785   42.268    714.383   59.869    729.140   59.683    72.823  3.0693  73.577  3.0284  -0.7539520     4.311836 
1 1 1 -11 21  6  o 85.809  2.2858  993.281   52.535    983.834   74.319    1002.72   74.272    85.398  3.2491  86.220  3.2161  -0.8219070     4.571648 
1 1 1 -11 21  7  o 52.554  1.9908  373.186   27.921    377.319   39.674    369.132   39.300    52.843  2.8132  52.264  2.8178  0.5788116      3.981698 
1 1 1 -11 21  8  o 23.710  2.2231  78.009    13.546    64.048    19.264    91.663    19.051    21.492  3.4642  25.927  2.7871  -4.434381      4.446174 
1 1 1 -11 21  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 21  10 o 44.586  1.9852  269.614   23.586    268.740   33.509    270.473   33.204    44.511  2.8253  44.662  2.7896  -0.1509590     3.970392 
1 1 1 -11 21  11 o 60.549  2.1001  496.815   33.995    512.718   48.458    481.402   47.703    61.546  2.9395  59.551  3.0003  1.995026       4.200284 
1 1 1 -11 21  12 o 41.505  2.0149  234.220   22.241    248.432   31.778    220.574   31.139    42.757  2.7900  40.252  2.9078  2.504696       4.029809 
1 1 1 -11 21  13 o 72.390  2.1890  711.769   42.434    700.776   60.274    722.571   59.752    71.823  3.1331  72.956  3.0577  -1.132889      4.377912 
1 1 1 -11 21  14 o 29.222  2.1005  117.056   16.199    123.154   23.153    111.210   22.671    29.986  2.9198  28.458  3.0204  1.527857       4.200965 
1 1 1 -11 21  15 o 46.678  2.0437  297.136   25.383    319.241   36.222    275.806   35.581    48.414  2.8053  44.942  2.9727  3.472660       4.087353 
1 1 1 -11 21  16 f 51.636  2.0802  364.120   28.648    372.165   40.843    356.330   40.193    52.202  2.9329  51.070  2.9509  1.132000       4.160486 
1 1 1 -11 21  17 o 67.689  2.1626  626.152   39.204    639.641   55.744    612.949   55.148    68.418  3.0419  66.961  3.0748  1.457283       4.325202 
1 1 1 -11 21  18 o 33.419  2.1403  154.026   18.894    169.480   27.165    139.544   26.297    35.089  2.9167  31.749  3.1331  3.339642       4.280638 
1 1 1 -11 21  19 o 28.278  2.6316  107.213   18.919    141.992   31.372    87.334    23.718    31.731  3.7646  24.825  3.6782  6.906023       5.263222 
1 1 1 -11 21  20 o 43.993  2.4691  268.555   28.155    260.084   35.873    282.143   45.434    43.286  3.1149  44.699  3.8318  -1.412888      4.938166 
1 1 1 -11 21  21 o 34.397  2.1798  165.213   19.867    167.070   28.351    163.421   27.849    34.583  3.0933  34.210  3.0720  0.3730469      4.359571 
1 1 1 -11 21  22 f 44.328  2.1557  274.650   25.439    271.325   35.779    278.049   36.177    44.055  3.0509  44.602  3.0464  -0.5473633     4.311464 
1 1 1 -11 21  23 o 27.329  2.4064  106.770   17.232    105.179   24.358    108.363   24.382    27.109  3.4314  27.549  3.3747  -0.4401207     4.812864 
1 1 1 -11 21  24 o 16.493  2.9832  41.130    13.234    39.798    19.026    42.379    18.419    16.207  4.3087  16.778  4.1271  -0.5711193     5.966377 
1 1 1 -11 21  25 o 15.182  3.0426  34.105    13.296    46.517    19.537    23.398    18.146    17.521  4.2144  12.843  4.3897  4.677602       6.085289 
1 1 1 -11 21  26 o 37.171  2.3700  198.709   23.132    227.812   32.965    170.478   32.468    40.055  3.0967  34.287  3.5885  5.767460       4.739928 
1 1 1 -11 21  27 o 10.619  3.0014  11.100    12.887    13.285    18.996    9.2365    17.540    11.047  4.3568  10.191  4.1296  0.8557844      6.002888 
1 1 1 -11 21  28 o 29.499  2.5570  129.527   19.754    135.650   27.933    123.400   27.941    30.287  3.5081  28.711  3.7209  1.576817       5.113953 
1 1 1 -11 22  1  o 123.743 2.7559  2069.58   91.327    2100.90   128.644   2037.77   129.674   124.700 3.8515  122.786 3.9429  1.913727       5.511868 
1 1 1 -11 22  2  o 126.296 2.8092  2157.75   95.022    2119.42   133.887   2196.64   134.880   125.159 3.9938  127.433 3.9517  -2.273308      5.618365 
1 1 1 -11 22  3  o 67.165  2.0629  607.801   37.098    587.682   52.311    628.159   52.620    66.041  2.9573  68.288  2.8768  -2.247581      4.125718 
1 1 1 -11 22  4  f 74.725  2.1621  753.257   43.271    759.339   61.004    747.099   61.388    75.032  3.0354  74.417  3.0798  0.6149063      4.324214 
1 1 1 -11 22  5  o 79.093  2.2242  844.905   47.117    833.186   66.561    856.675   66.706    78.539  3.1641  79.647  3.1268  -1.107300      4.448413 
1 1 1 -11 22  6  o 15.260  4.9352  31.096    23.004    0.0000    0.0000    31.096    23.004    ?       ?       15.260  4.9352  ?              ?        
1 1 1 -11 22  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 22  8  o 71.194  2.1755  686.346   41.484    680.741   58.796    691.903   58.539    70.900  3.0961  71.489  3.0571  -0.5888138     4.351081 
1 1 1 -11 22  9  o 109.105 2.6736  1623.35   78.132    1632.33   110.695   1614.43   110.296   109.408 3.7774  108.802 3.7847  0.6052628      5.347215 
1 1 1 -11 22  10 o 36.868  2.0436  185.389   19.932    206.649   28.482    164.983   27.904    38.985  2.7451  34.752  3.0280  4.233105       4.087145 
1 1 1 -11 22  11 o 71.110  2.2366  687.223   42.578    717.220   60.598    657.972   59.839    72.659  3.1137  69.561  3.2117  3.097328       4.473265 
1 1 1 -11 22  12 o 42.045  2.0272  241.127   22.673    231.676   32.238    250.376   31.893    41.207  2.9401  42.883  2.7918  -1.676373      4.054452 
1 1 1 -11 22  13 o 29.960  2.1268  123.106   16.820    130.403   24.252    116.343   23.348    30.831  2.9736  29.089  3.0416  1.741562       4.253670 
1 1 1 -11 22  14 o 30.054  2.1459  124.481   16.992    115.390   24.065    133.519   23.996    28.915  3.1587  31.194  2.9054  -2.278954      4.291707 
1 1 1 -11 22  15 o 25.987  2.3109  93.866    15.713    98.877    22.364    88.980    22.081    26.704  3.1898  25.270  3.3445  1.433811       4.621726 
1 1 1 -11 22  16 o 32.428  2.1654  146.123   18.266    176.346   26.086    117.050   25.585    35.863  2.7363  28.992  3.3569  6.871645       4.330796 
1 1 1 -11 22  17 o 48.382  2.1105  322.187   27.198    338.604   38.847    306.402   38.091    49.616  2.9362  47.148  3.0324  2.467747       4.220963 
1 1 1 -11 22  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 22  19 o 27.320  2.3639  106.204   16.581    84.555    23.388    128.082   23.511    24.302  3.7106  30.337  2.9298  -6.035107      4.727847 
1 1 1 -11 22  20 o 16.964  2.8584  42.860    13.184    27.662    18.577    58.281    18.713    13.853  4.4302  20.075  3.6130  -6.221908      5.716723 
1 1 1 -11 22  21 o 19.000  2.7112  53.084    13.321    57.273    18.994    49.028    18.687    19.801  3.7178  18.199  3.9471  1.601791       5.422368 
1 1 1 -11 22  22 o 24.816  2.7126  92.095    16.549    130.349   23.785    56.198    23.040    30.432  2.9552  19.200  4.5498  11.23221       5.425294 
1 1 1 -11 22  23 o 9.8332  2.8125  7.6959    11.503    5.7835    16.133    9.6734    16.405    9.4993  3.9178  10.167  4.0364  -0.6678257     5.625086 
1 1 1 -11 22  24 o 42.157  2.2653  252.593   25.373    244.973   35.988    260.125   35.779    41.475  3.2660  42.840  3.1400  -1.365139      4.530558 
1 1 1 -11 22  25 o 18.532  2.9721  52.487    14.415    54.784    20.594    50.281    20.183    18.954  4.1698  18.109  4.2364  0.8451347      5.944231 
1 1 1 -11 22  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 23  1  o 9.6310  2.4083  7.2402    8.9774    20.246    12.511    -6.5620   12.889    12.143  3.5937  7.1190  3.2071  5.023853       4.816696 
1 1 1 -11 23  2  o 78.756  2.1833  837.594   46.039    807.113   64.679    868.898   65.548    77.296  3.1241  80.216  3.0508  -2.919991      4.366560 
1 1 1 -11 23  3  o 92.939  2.3713  1169.33   59.027    1150.96   83.140    1188.01   83.816    92.199  3.3666  93.679  3.3404  -1.479790      4.742626 
1 1 1 -11 23  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 23  5  o 29.799  2.4977  126.898   18.226    138.063   22.842    107.335   30.237    31.862  2.7020  27.736  4.2017  4.126152       4.995461 
1 1 1 -11 23  6  o 96.699  2.4621  1271.34   63.767    1256.34   90.135    1286.37   90.226    96.120  3.5010  97.278  3.4628  -1.158035      4.924210 
1 1 1 -11 23  7  o 89.207  2.3653  1081.92   56.508    1059.10   79.787    1104.89   80.042    88.251  3.3754  90.163  3.3144  -1.912315      4.730575 
1 1 1 -11 23  8  o 31.791  2.0729  138.207   17.444    134.158   24.735    142.214   24.605    31.312  2.9854  32.271  2.8767  -0.9582806     4.145854 
1 1 1 -11 23  9  o 78.768  2.2645  844.092   47.770    829.068   67.541    859.130   67.572    78.056  3.2305  79.480  3.1741  -1.424316      4.528929 
1 1 1 -11 23  10 o 48.052  2.0480  314.589   26.236    316.779   37.208    312.423   37.001    48.220  2.8942  47.885  2.8985  0.3351707      4.096096 
1 1 1 -11 23  11 o 37.926  2.0752  196.911   20.862    213.145   29.612    180.912   29.397    39.520  2.8159  36.332  3.0490  3.187389       4.150352 
1 1 1 -11 23  12 o 16.061  2.6901  37.233    11.717    23.695    16.626    50.591    16.515    13.162  4.1893  18.960  3.3758  -5.798324      5.380158 
1 1 1 -11 23  13 o 45.272  2.0859  280.886   25.111    301.354   35.716    260.877   35.313    46.942  2.8541  43.601  3.0428  3.340977       4.171871 
1 1 1 -11 23  14 o 26.372  2.3290  97.313    15.963    85.110    22.583    109.497   22.567    24.616  3.5259  28.127  3.0439  -3.511560      4.658054 
1 1 1 -11 23  15 o 19.640  2.6380  57.305    13.322    27.373    18.612    88.745    19.076    13.969  4.4310  25.311  2.8641  -11.34184      5.276066 
1 1 1 -11 23  16 o 15.144  5.6660  28.204    30.975    0.0000    0.0000    28.204    30.975    ?       ?       15.144  5.6660  ?              ?        
1 1 1 -11 23  17 o 28.402  2.3710  113.714   17.639    122.346   24.981    105.132   24.909    29.549  3.2079  27.256  3.4922  2.292988       4.741978 
1 1 1 -11 23  18 o 17.087  2.9121  43.222    13.171    42.840    18.787    43.593    18.471    17.001  4.1598  17.174  4.0764  -0.1731720     5.824191 
1 1 1 -11 23  19 o 10.632  2.8014  13.053    10.828    8.5293    15.966    16.906    14.733    9.9543  3.9725  11.310  3.9509  -1.356036      5.602728 
1 1 1 -11 23  20 o 16.638  3.0089  41.760    13.498    37.783    19.139    45.697    19.041    15.819  4.3714  17.457  4.1358  -1.637297      6.017821 
1 1 1 -11 23  21 o 40.628  2.1957  233.002   23.711    233.999   33.785    232.035   33.285    40.702  3.1227  40.553  3.0875  0.1486816      4.391359 
1 1 1 -11 23  22 o 10.326  2.8802  9.9283    11.878    15.031    17.022    5.0852    16.583    11.168  4.1960  9.4831  3.9466  1.685067       5.760345 
1 1 1 -11 23  23 o 8.0652  2.5455  -5.8423   11.433    2.0061    16.315    -13.4156  16.027    8.9610  3.8307  7.1694  3.3531  1.791574       5.090910 
1 1 1 -11 23  24 o 6.8487  2.2743  -15.3524  10.777    -6.6870   15.402    -23.6658  15.086    7.6296  3.4647  6.0677  2.9471  1.561841       4.548584 
1 1 1 -11 23  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 24  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 24  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 24  3  o 22.625  2.2248  70.754    13.103    72.149    18.248    69.270    18.826    22.879  3.0541  22.371  3.2359  0.5079956      4.449587 
1 1 1 -11 24  4  o 59.447  2.0520  479.593   32.592    498.828   46.015    460.228   46.170    60.698  2.8303  58.197  2.9718  2.501011       4.103938 
1 1 1 -11 24  5  o 37.838  2.0214  195.173   20.252    173.972   28.304    217.413   28.989    35.690  2.9883  39.986  2.7228  -4.295879      4.042756 
1 1 1 -11 24  6  o 36.037  2.0147  177.151   19.277    184.642   27.398    169.807   27.129    36.807  2.8001  35.267  2.8975  1.540169       4.029406 
1 1 1 -11 24  7  o 13.191  2.7493  24.273    10.375    23.462    14.493    25.126    14.858    12.988  3.8733  13.394  3.9028  -0.4062433     5.498616 
1 1 1 -11 24  8  o 52.512  2.0500  375.735   28.713    363.808   40.412    387.896   40.804    51.658  2.9327  53.367  2.8651  -1.709068      4.099944 
1 1 1 -11 24  9  o 51.886  2.0691  367.414   28.622    352.053   40.312    383.031   40.646    50.772  2.9773  53.000  2.8740  -2.228100      4.138121 
1 1 1 -11 24  10 o 25.263  2.2843  88.587    15.094    92.400    21.477    84.867    21.217    25.824  3.1717  24.702  3.2883  1.121605       4.568669 
1 1 1 -11 24  11 o 52.799  2.1115  381.878   29.729    394.284   42.188    369.641   41.901    53.669  2.9461  51.929  3.0256  1.740032       4.222993 
1 1 1 -11 24  12 o 33.806  2.1581  157.757   19.316    165.006   27.428    150.624   27.207    34.603  2.9887  33.009  3.1140  1.593594       4.316169 
1 1 1 -11 24  13 o 38.597  2.1234  205.734   21.753    195.777   30.836    215.598   30.692    37.630  3.0866  39.564  2.9168  -1.934669      4.246720 
1 1 1 -11 24  14 o 24.629  2.4816  85.774    15.907    86.557    22.485    84.990    22.506    24.751  3.4884  24.507  3.5306  0.2442417      4.963284 
1 1 1 -11 24  15 o 8.6006  3.7044  -0.1726   15.470    -0.1726   15.470    0.0000    0.0000    8.6006  3.7044  ?       ?       ?              ?        
1 1 1 -11 24  16 o 11.254  2.8890  15.226    11.351    10.899    15.780    19.867    16.341    10.363  4.0042  12.144  4.1655  -1.780468      5.777948 
1 1 1 -11 24  17 o 21.049  2.6397  64.354    14.313    71.263    20.601    57.907    19.901    22.227  3.5821  19.871  3.8783  2.355730       5.279485 
1 1 1 -11 24  18 o 19.945  2.7803  59.028    14.302    71.190    20.394    47.257    20.064    22.177  3.5532  17.713  4.2773  4.464741       5.560614 
1 1 1 -11 24  19 o 21.679  2.7455  70.108    15.155    51.563    21.303    89.107    21.563    18.424  4.3810  24.935  3.3104  -6.511593      5.491095 
1 1 1 -11 24  20 o 9.5761  2.7498  6.4971    11.062    11.052    16.409    2.7022    14.978    10.385  4.0635  8.7671  3.7060  1.617984       5.499690 
1 1 1 -11 24  21 o 30.834  2.4626  137.193   19.959    145.211   28.506    129.482   27.954    31.776  3.4020  29.892  3.5615  1.883745       4.925229 
1 1 1 -11 24  22 o 12.696  3.0922  22.771    12.980    29.349    18.367    16.207    18.346    13.922  4.4002  11.470  4.3456  2.451958       6.184326 
1 1 1 -11 24  23 o 18.999  4.4876  56.803    22.473    0.0000    0.0000    56.803    22.473    ?       ?       18.999  4.4876  ?              ?        
1 1 1 -11 24  24 o 13.081  3.1213  25.852    13.428    34.577    18.725    16.614    19.267    14.724  4.4053  11.437  4.4230  3.287355       6.242602 
1 1 1 -11 25  1  o 55.974  2.0018  424.909   29.920    398.003   41.866    452.995   42.775    54.110  2.8992  57.839  2.7611  -3.729084      4.003599 
1 1 1 -11 25  2  o 45.909  1.9821  286.685   24.254    288.508   34.165    284.833   34.438    46.062  2.7823  45.756  2.8238  0.3057137      3.964172 
1 1 1 -11 25  3  o 43.449  1.9904  257.249   23.018    265.543   32.281    248.670   32.831    44.183  2.7413  42.715  2.8866  1.468418       3.980807 
1 1 1 -11 25  4  o 36.166  2.0251  178.988   19.376    197.098   27.462    161.033   27.344    38.038  2.7132  34.294  3.0072  3.744259       4.050211 
1 1 1 -11 25  5  o 89.332  2.4083  1090.39   57.623    1091.84   81.294    1088.93   81.690    89.397  3.3950  89.267  3.4166  0.1306381      4.816551 
1 1 1 -11 25  6  f 34.445  2.0758  162.602   18.959    167.543   26.740    157.608   26.884    34.990  2.8787  33.900  2.9914  1.089336       4.151597 
1 1 1 -11 25  7  o 24.704  2.2543  84.671    14.565    86.230    20.575    83.106    20.623    24.946  3.1495  24.462  3.2262  0.4832458      4.508578 
1 1 1 -11 25  8  o 15.887  2.7189  36.213    11.452    34.336    16.194    38.091    16.196    15.468  3.9075  16.306  3.7816  -0.8380356     5.437784 
1 1 1 -11 25  9  o 11.396  2.6434  15.044    10.246    2.7808    14.268    28.104    14.724    8.7750  3.6570  14.018  3.8180  -5.242968      5.286896 
1 1 1 -11 25  10 o 11.708  2.7952  18.045    10.405    18.838    14.745    17.257    14.685    11.881  3.9570  11.534  3.9489  0.3478613      5.590356 
1 1 1 -11 25  11 f 21.759  2.5725  67.633    14.380    58.396    20.350    76.846    20.322    20.143  3.9128  23.376  3.3408  -3.232868      5.144990 
1 1 1 -11 25  12 o 30.621  2.2677  130.977   18.269    120.123   25.697    142.072   25.979    29.274  3.3368  31.968  3.0719  -2.693546      4.535480 
1 1 1 -11 25  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 25  14 o 13.544  2.9766  26.404    12.073    31.013    16.762    21.435    17.403    14.530  4.1183  12.558  4.2988  1.971857       5.953168 
1 1 1 -11 25  15 o 19.562  2.8458  56.761    14.425    67.820    20.499    45.911    20.303    21.635  3.6684  17.490  4.3516  4.145090       5.691557 
1 1 1 -11 25  16 o 29.558  2.4050  124.685   18.685    129.303   26.618    120.199   26.234    30.127  3.3556  28.989  3.4462  1.137863       4.810022 
1 1 1 -11 25  17 o 13.362  3.0733  25.961    12.619    27.792    17.975    24.182    17.719    13.732  4.3543  12.993  4.3383  0.7382336      6.146603 
1 1 1 -11 25  18 o 14.320  2.9627  29.524    13.173    46.700    18.772    12.857    18.491    17.613  4.0620  11.027  4.3139  6.586043       5.925332 
1 1 1 -11 25  19 f 8.6273  2.6196  0.9828    10.924    -2.6650   16.332    3.9364    14.696    8.3850  3.7040  8.8695  3.7052  -0.4845390     5.239115 
1 1 1 -11 25  20 o 18.277  3.0294  51.244    15.530    79.454    22.476    25.474    21.482    23.187  3.7467  13.366  4.7615  9.821814       6.058844 
1 1 1 -11 25  21 o 9.7291  2.6924  5.2720    11.570    20.495    15.862    -12.0361  16.914    11.959  4.1039  7.4988  3.4862  4.460499       5.384736 
1 1 1 -11 25  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 26  1  f 19.884  2.4495  55.523    12.569    53.458    17.646    57.650    17.907    19.489  3.5094  20.279  3.4183  -0.7900982     4.899054 
1 1 1 -11 26  2  o 81.504  2.2705  906.532   49.503    848.174   69.515    966.573   70.510    78.803  3.2934  84.205  3.1262  -5.401665      4.540914 
1 1 1 -11 26  3  o 31.993  2.0839  140.650   17.548    122.976   24.549    159.115   25.093    29.874  3.1138  34.111  2.7703  -4.237566      4.167798 
1 1 1 -11 26  4  o 38.846  2.0208  206.785   20.788    184.732   29.214    229.403   29.586    36.692  2.9988  40.999  2.7095  -4.306583      4.041522 
1 1 1 -11 26  5  o 28.991  2.1981  116.765   16.596    135.794   23.542    97.968    23.398    31.454  2.8245  26.529  3.3688  4.925236       4.396213 
1 1 1 -11 26  6  o 28.647  2.2285  113.695   16.791    106.675   23.599    120.893   23.897    27.715  3.2402  29.579  3.0605  -1.864569      4.457093 
1 1 1 -11 26  7  o 30.774  2.1644  130.968   17.601    130.536   24.652    131.418   25.139    30.730  3.0347  30.818  3.0870  -0.8823013E-01 4.328860 
1 1 1 -11 26  8  o 5.4723  1.8451  -18.2544  7.6049    -5.1909   11.406    -28.7085  10.204    6.7207  3.0233  4.2239  2.1158  2.496802       3.690167 
1 1 1 -11 26  9  o 16.180  2.8667  38.382    12.514    45.084    17.406    31.212    18.004    17.664  3.7923  14.697  4.3001  2.966663       5.733476 
1 1 1 -11 26  10 o 44.051  2.1527  268.921   25.241    265.108   35.737    272.716   35.657    43.725  3.0708  44.376  3.0178  -0.6511230     4.305489 
1 1 1 -11 26  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 26  12 o 18.822  2.8515  52.579    14.000    64.088    19.767    40.992    19.833    21.075  3.6329  16.570  4.3962  4.505165       5.702996 
1 1 1 -11 26  13 o 16.148  2.8704  38.546    13.038    22.023    18.165    56.102    18.725    12.684  4.3895  19.613  3.7000  -6.929619      5.740853 
1 1 1 -11 26  14 o 11.434  2.6446  11.906    11.578    35.014    16.507    -10.4729  16.245    15.316  3.9854  7.5512  3.4773  7.765110       5.289206 
1 1 1 -11 26  15 o 13.333  2.9932  25.381    12.437    16.103    17.443    34.974    17.738    11.439  4.2574  15.228  4.2085  -3.789804      5.986411 
1 1 1 -11 26  16 o 28.091  2.5595  115.132   18.518    95.374    26.135    135.050   26.241    25.413  3.9694  30.769  3.2324  -5.355911      5.119029 
1 1 1 -11 26  17 o 12.561  3.1009  21.807    12.921    26.332    18.550    17.543    18.008    13.403  4.4371  11.719  4.3329  1.683468       6.201787 
1 1 1 -11 26  18 o 10.393  2.7368  4.4647    12.241    28.117    17.720    -17.1275  16.931    13.686  4.3216  7.0995  3.3591  6.586886       5.473546 
1 1 1 -11 26  19 o 13.586  3.1650  27.023    13.917    16.158    19.695    37.861    19.669    11.596  4.4753  15.576  4.4767  -3.980303      6.330038 
1 1 1 -11 26  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 27  1  o 23.356  2.2968  76.029    13.977    75.791    19.593    76.277    19.946    23.325  3.2221  23.386  3.2739  -0.6137657E-01 4.593518 
1 1 1 -11 27  2  o 11.450  2.6914  14.199    10.592    1.7790    14.360    29.017    15.685    8.6501  3.6411  14.251  3.9645  -5.600556      5.382880 
1 1 1 -11 27  3  o 51.975  2.0544  370.039   28.468    352.551   39.885    388.202   40.646    50.702  2.9497  53.248  2.8603  -2.546341      4.108794 
1 1 1 -11 27  4  f 13.879  2.8322  27.499    11.130    29.405    15.705    25.576    15.775    14.309  3.9622  13.449  4.0479  0.8594713      5.664306 
1 1 1 -11 27  5  o 20.157  2.6210  59.136    13.438    79.686    19.154    39.216    18.858    23.908  3.0613  16.406  4.2553  7.501827       5.242050 
1 1 1 -11 27  6  o 21.323  2.6254  65.927    14.168    45.618    19.814    87.176    20.267    17.659  4.2421  24.988  3.0943  -7.329449      5.250735 
1 1 1 -11 27  7  o 29.029  2.2995  117.964   17.511    106.963   24.474    129.503   25.066    27.576  3.3846  30.482  3.1138  -2.906496      4.599082 
1 1 1 -11 27  8  o 31.616  3.1716  139.792   26.496    0.0000    0.0000    139.792   26.496    ?       ?       31.616  3.1716  ?              ?        
1 1 1 -11 27  9  o 23.197  6.2483  85.693    39.692    85.693    39.692    0.0000    0.0000    23.197  6.2483  ?       ?       ?              ?        
1 1 1 -11 27  10 o 31.431  2.3006  139.481   19.070    141.554   26.552    137.272   27.406    31.716  3.1680  31.147  3.3370  0.5686378      4.601233 
1 1 1 -11 27  11 o 8.4770  2.3944  -3.8203   10.025    16.618    14.095    -24.7450  14.261    11.160  3.8663  5.7945  2.8258  5.365091       4.788836 
1 1 1 -11 27  12 o 36.056  2.3141  185.255   21.865    156.705   30.775    214.353   31.069    33.056  3.5305  39.057  2.9927  -6.000492      4.628219 
1 1 1 -11 27  13 o 13.757  3.0461  27.361    12.909    17.683    18.026    37.551    18.496    11.781  4.3388  15.734  4.2768  -3.953395      6.092291 
1 1 1 -11 27  14 o 19.252  2.9558  56.009    14.805    54.223    20.787    57.847    21.091    18.919  4.2106  19.585  4.1495  -0.6660328     5.911677 
1 1 1 -11 27  15 o 8.9937  2.5208  1.4293    10.492    17.451    14.483    -16.2654  15.220    11.295  3.9188  6.6928  3.1720  4.601767       5.041691 
1 1 1 -11 27  16 o 16.112  3.1305  39.679    14.194    29.574    19.565    50.906    20.623    14.015  4.5530  18.209  4.2976  -4.194390      6.260924 
1 1 1 -11 27  17 f 14.432  3.2451  31.953    14.155    28.249    19.738    35.876    20.311    13.698  4.5787  15.166  4.5996  -1.468038      6.490104 
1 1 1 -11 27  18 o 15.638  3.2218  38.085    15.126    54.504    21.684    22.522    21.111    18.600  4.4181  12.675  4.6904  5.925556       6.443507 
1 1 1 -11 27  19 o 9.8077  4.0995  7.0047    18.004    7.0047    18.004    0.0000    0.0000    9.8077  4.0995  ?       ?       ?              ?        
1 1 1 -11 28  1  o 29.520  2.1316  120.673   16.609    115.869   23.205    125.719   23.783    28.903  3.0432  30.137  2.9856  -1.234110      4.263173 
1 1 1 -11 28  2  o 13.450  2.7815  25.438    11.263    36.286    15.699    13.934    16.167    15.838  3.7574  11.063  4.1024  4.775311       5.563089 
1 1 1 -11 28  3  o 12.526  2.9228  21.431    11.355    21.243    15.402    21.656    16.807    12.419  4.0399  12.633  4.2251  -0.2133904     5.845685 
1 1 1 -11 28  4  o 36.398  2.1417  184.296   20.638    194.998   28.890    173.142   29.492    37.541  2.8955  35.256  3.1566  2.285580       4.283417 
1 1 1 -11 28  5  o 41.615  2.1445  240.815   23.713    250.380   33.315    230.992   33.760    42.500  2.9448  40.730  3.1183  1.769978       4.288967 
1 1 1 -11 28  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 28  7  o 10.760  2.9093  12.512    11.696    12.165    16.463    12.866    16.620    10.685  4.1001  10.835  4.1286  -0.1499443     5.818661 
1 1 1 -11 28  8  o 27.532  2.4727  108.557   17.648    92.401    24.602    125.686   25.331    25.264  3.7493  29.801  3.2249  -4.536423      4.945413 
1 1 1 -11 28  9  o 9.8044  2.7170  8.7317    10.576    13.846    14.913    3.5567    15.002    10.682  3.9443  8.9271  3.7377  1.754561       5.433925 
1 1 1 -11 28  10 f 12.153  2.9996  20.158    12.047    22.819    17.133    17.555    16.944    12.672  4.2657  11.635  4.2184  1.037590       5.999243 
1 1 1 -11 28  11 o 22.194  2.7930  73.179    15.897    87.408    22.878    59.895    22.106    24.507  3.5919  19.881  4.2781  4.625767       5.586092 
1 1 1 -11 28  12 o 26.979  2.5506  106.157   17.919    110.819   24.936    101.180   25.766    27.698  3.4348  26.260  3.7715  1.438484       5.101194 
1 1 1 -11 28  13 o 14.452  3.1636  31.688    13.510    33.508    19.268    29.928    18.948    14.810  4.4772  14.094  4.4707  0.7163382      6.327165 
1 1 1 -11 28  14 o 10.044  2.8207  6.3283    12.106    -5.7083   16.727    19.567    17.542    8.1079  3.6530  11.980  4.2991  -3.871757      5.641481 
1 1 1 -11 28  15 o 38.913  2.4180  219.524   24.921    208.451   35.051    230.842   35.438    37.848  3.4972  39.978  3.3401  -2.130081      4.835937 
1 1 1 -11 28  16 o 12.164  3.1146  19.701    13.548    29.428    19.229    10.112    19.092    13.807  4.5151  10.521  4.2914  3.285979       6.229176 
1 1 1 -11 28  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 29  1  o 21.900  2.6371  69.267    14.662    50.239    20.243    90.262    21.264    18.474  4.1877  25.327  3.2063  -6.853338      5.274155 
1 1 1 -11 29  2  o 29.460  2.3499  123.602   17.754    151.990   25.218    95.706    24.999    33.068  2.8759  25.852  3.7171  7.215858       4.699735 
1 1 1 -11 29  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 29  4  o 19.505  6.4842  60.463    39.599    60.463    39.599    0.0000    0.0000    19.505  6.4842  ?       ?       ?              ?        
1 1 1 -11 29  5  o 16.636  2.9559  41.749    13.461    29.815    19.198    53.289    18.879    14.240  4.4984  19.033  3.8359  -4.792867      5.911787 
1 1 1 -11 29  6  o 15.674  3.0244  37.036    13.050    37.356    18.610    36.726    18.303    15.735  4.2953  15.612  4.2589  0.1224585      6.048791 
1 1 1 -11 29  7  o 27.415  2.4599  108.292   17.647    104.431   24.874    112.203   25.039    26.883  3.5405  27.947  3.4162  -1.063108      4.919865 
1 1 1 -11 29  8  o 14.234  2.9894  29.819    12.882    17.316    18.152    42.509    18.286    11.709  4.3459  16.759  4.1059  -5.050834      5.978760 
1 1 1 -11 29  9  o 25.212  2.7590  95.124    17.514    69.221    24.585    121.818   24.957    21.267  4.4584  29.156  3.2511  -7.889265      5.517917 
1 1 1 -11 29  10 o 19.392  2.9086  57.171    14.703    43.808    20.555    71.172    21.040    16.824  4.4813  21.960  3.7091  -5.136909      5.817142 
1 1 1 -11 29  11 o 14.501  3.1718  32.029    13.578    29.961    18.870    34.249    19.554    14.073  4.4613  14.929  4.5097  -0.8554850     6.343565 
1 1 1 -11 29  12 o 19.146  3.0348  56.432    15.175    56.373    21.191    56.493    21.740    19.163  4.2407  19.129  4.3424  0.3443718E-01  6.069621 
1 1 1 -11 29  13 o 14.900  3.2570  34.861    14.401    38.420    19.584    30.670    21.251    15.654  4.4567  14.146  4.7508  1.507653       6.514028 
1 1 1 -11 29  14 o 14.373  3.1658  30.739    14.615    13.984    20.321    48.693    21.035    11.245  4.4835  17.502  4.4709  -6.257682      6.331662 
1 1 1 -11 29  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 30  1  o 12.016  4.3114  18.841    17.643    18.841    17.643    0.0000    0.0000    12.016  4.3114  ?       ?       ?              ?        
1 1 1 -11 30  2  o 41.629  2.1354  243.448   23.637    248.095   33.170    238.653   33.691    42.070  2.9625  41.187  3.0761  0.8831177      4.270745 
1 1 1 -11 30  3  o 14.904  2.9431  33.472    12.377    39.962    17.289    26.650    17.725    16.325  3.9882  13.483  4.3291  2.841205       5.886145 
1 1 1 -11 30  4  o 14.077  2.9871  28.382    12.815    15.801    17.564    42.701    18.738    11.375  4.2645  16.779  4.1838  -5.403877      5.974116 
1 1 1 -11 30  5  o 17.826  2.9414  48.405    14.321    28.760    19.916    69.433    20.606    13.918  4.5972  21.733  3.6706  -7.814231      5.882847 
1 1 1 -11 30  6  o 14.248  2.9705  29.527    12.864    15.835    17.755    44.654    18.663    11.363  4.2823  17.133  4.1179  -5.770380      5.940975 
1 1 1 -11 30  7  o 23.085  2.9501  84.101    17.092    119.500   23.954    47.383    24.396    28.894  3.1460  17.276  4.9916  11.61796       5.900234 
1 1 1 -11 30  8  o 12.075  2.9729  17.165    13.472    34.536    18.482    -2.5289   19.678    14.990  4.3485  9.1601  4.0551  5.829556       5.945890 
1 1 1 -11 30  9  o 13.671  2.8433  23.612    13.639    -3.1344   19.087    51.521    19.497    8.9487  3.9760  18.394  4.0655  -9.445117      5.686579 
1 1 1 -11 30  10 o 10.844  2.8835  9.6854    12.745    -7.0451   17.748    27.499    18.313    8.1959  3.7209  13.493  4.4060  -5.296593      5.766945 
1 1 1 -11 30  11 o 17.789  3.0807  50.417    14.981    65.289    20.895    34.681    21.492    20.747  3.9032  14.831  4.7675  5.916521       6.161498 
1 1 1 -11 30  12 o 13.012  3.0255  23.818    13.235    9.0855    18.358    39.761    19.097    10.206  4.1907  15.818  4.3649  -5.611749      6.050962 
1 1 1 -11 30  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 31  1  o 12.394  3.0703  21.357    12.549    19.974    16.994    23.014    18.608    12.038  4.2408  12.750  4.4410  -0.7116127     6.140561 
1 1 1 -11 31  2  o 8.9614  2.6810  2.1760    11.031    -2.0126   14.440    8.0458    17.094    7.9434  3.4972  9.9794  4.0645  -2.036078      5.361920 
1 1 1 -11 31  3  o 9.3187  2.7355  5.3494    11.228    4.3112    15.731    6.4274    16.030    9.1280  3.8250  9.5093  3.9116  -0.3812418     5.470937 
1 1 1 -11 31  4  o 23.751  2.7903  85.191    16.912    99.780    23.667    69.970    24.175    26.166  3.4619  21.335  4.3771  4.831362       5.580670 
1 1 1 -11 31  5  o 29.720  2.5287  129.191   19.707    124.051   27.860    134.340   27.881    29.064  3.6599  30.375  3.4903  -1.311062      5.057385 
1 1 1 -11 31  6  o 29.113  2.5267  124.112   19.276    124.253   26.826    123.962   27.718    29.177  3.5026  29.048  3.6426  0.1291618      5.053361 
1 1 1 -11 31  7  o 15.593  3.2045  38.155    14.182    37.531    19.952    38.793    20.161    15.471  4.5269  15.714  4.5369  -0.2429199     6.409055 
1 1 1 -11 31  8  o 12.555  3.1691  22.497    13.532    18.927    19.101    26.093    19.173    11.915  4.4511  13.195  4.5122  -1.280337      6.338177 
1 1 1 -11 31  9  o 14.455  3.2449  32.968    14.108    31.684    19.608    34.346    20.315    14.202  4.5525  14.707  4.6250  -0.5050926     6.489731 
1 1 1 -11 31  10 o 16.688  3.3540  45.698    15.951    55.184    22.665    36.389    22.453    18.436  4.6038  14.940  4.8787  3.496322       6.707934 
1 1 1 -11 31  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 32  1  o 12.427  2.9961  21.724    12.976    32.736    17.104    6.7916    19.918    14.583  4.1694  10.270  4.3039  4.312821       5.992275 
1 1 1 -11 32  2  o 12.764  3.1623  23.137    13.230    20.074    17.365    27.375    20.426    11.994  4.2801  13.534  4.6563  -1.540794      6.324574 
1 1 1 -11 32  3  o 14.253  3.0348  28.961    13.355    14.303    17.836    47.670    20.150    11.021  4.2573  17.485  4.3262  -6.464560      6.069670 
1 1 1 -11 32  4  o 30.918  2.5136  140.607   20.141    116.008   28.010    166.944   28.983    27.850  3.8587  33.986  3.2224  -6.136145      5.027232 
1 1 1 -11 32  5  o 18.326  3.2318  53.542    15.788    54.107    21.548    52.887    23.200    18.528  4.4063  18.124  4.7290  0.4036274      6.463644 
1 1 1 -11 32  6  o 29.698  2.6342  131.652   20.433    120.040   28.261    144.371   29.576    28.222  3.8382  31.173  3.6089  -2.950417      5.268369 
1 1 1 -11 32  7  o 23.397  3.0064  86.186    18.057    94.002    24.958    77.601    26.158    24.816  3.8820  21.977  4.5917  2.838673       6.012784 
1 1 1 -11 32  8  o 11.793  4.5810  18.565    20.740    0.0000    0.0000    18.565    20.740    ?       ?       11.793  4.5810  ?              ?        
1 1 1 -11 33  1  o 28.219  2.6622  119.095   19.243    94.631    26.581    146.033   27.893    24.836  4.1416  31.602  3.3462  -6.766319      5.324455 
1 1 1 -11 33  2  o 19.166  3.2078  57.796    16.539    39.942    22.280    79.710    24.684    15.679  4.8294  22.653  4.2235  -6.973953      6.415675 
1 1 1 -11 33  3  o 18.528  3.2392  55.948    16.012    60.524    21.626    50.394    23.823    19.608  4.2410  17.447  4.8974  2.161518       6.478477 
1 1 1 -11 33  4  o 8.4256  2.6082  -4.8560   11.723    -16.7622  15.696    10.165    17.630    6.6819  3.1825  10.169  4.1331  -3.487231      5.216429 
1 1 1 -11 33  5  o 16.208  3.3501  44.062    15.514    47.324    21.509    40.525    22.398    16.889  4.6207  15.527  4.8521  1.362450       6.700277 
1 1 1 -11 33  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -11 34  1  o 11.873  3.1591  19.998    13.847    24.530    18.496    14.218    20.888    12.605  4.4255  11.142  4.5093  1.463195       6.318130 
1 1 1 -11 34  2  o 19.128  3.3820  61.647    17.261    57.506    23.594    66.417    25.319    18.447  4.7474  19.809  4.8181  -1.362261      6.764013 
1 1 1 -10 -33 12 o 31.364  2.6637  145.984   21.756    131.467   31.197    159.730   30.357    29.610  4.0388  33.117  3.4740  -3.506556      5.327343 
1 1 1 -10 -33 13 o 8.2517  2.6992  -11.1159  13.567    -12.7664  22.478    -10.1699  17.017    8.7945  4.0642  7.7089  3.5533  1.085575       5.398499 
1 1 1 -10 -33 14 o 14.005  3.3587  23.253    16.431    51.307    25.583    3.5542    21.437    17.830  5.0998  10.179  4.3722  7.650987       6.717433 
1 1 1 -10 -33 15 o 36.983  2.5832  200.346   25.186    190.644   36.163    209.486   35.099    35.970  3.8115  37.995  3.4878  -2.024384      5.166465 
1 1 1 -10 -33 16 o 24.833  3.1638  96.176    19.979    84.079    29.991    105.828   26.790    22.977  5.0139  26.688  3.8599  -3.710028      6.327555 
1 1 1 -10 -33 17 o 36.044  2.6820  190.992   25.199    225.868   36.504    159.245   34.829    39.452  3.4905  32.637  4.0728  6.815113       5.363938 
1 1 1 -10 -33 18 o 12.395  3.2079  8.7647    15.970    44.219    25.287    -14.7613  20.598    16.587  5.1509  8.2033  3.8249  8.383399       6.415747 
1 1 1 -10 -33 19 o 22.479  3.5159  79.882    20.571    92.104    30.723    69.949    27.696    24.099  4.9260  20.860  5.0180  3.238506       7.031784 
1 1 1 -10 -33 20 o 46.886  2.5308  320.789   31.540    320.882   44.908    320.699   44.305    46.864  3.6053  46.907  3.5528  -0.4260635E-01 5.061639 
1 1 1 -10 -33 21 o 29.345  2.9781  130.708   22.645    144.723   32.523    117.521   31.548    31.051  4.0037  27.639  4.4097  3.411926       5.956129 
1 1 1 -10 -33 22 o 35.994  2.8148  194.458   26.649    188.623   38.117    200.036   37.271    35.345  4.1025  36.643  3.8552  -1.298023      5.629661 
1 1 1 -10 -33 23 o 20.810  3.6750  70.423    21.820    108.870   32.328    38.252    29.572    26.176  4.7874  15.444  5.5770  10.73213       7.349912 
1 1 1 -10 -33 24 o 29.516  3.1508  136.266   23.998    125.373   34.505    146.471   33.398    28.072  4.7590  30.959  4.1305  -2.887114      6.301539 
1 1 1 -10 -33 25 o 8.3932  2.7675  -13.3827  15.020    -14.0873  23.388    -12.8882  19.594    8.7634  4.0826  8.0230  3.7374  0.7404032      5.534925 
1 1 1 -10 -32 6  o 11.506  2.9037  5.9751    12.874    38.662    21.466    -12.3829  16.087    15.745  4.7182  7.2682  3.3860  8.476328       5.807471 
1 1 1 -10 -32 7  o 36.415  2.4134  190.349   23.236    200.380   33.872    181.431   31.937    37.315  3.4273  35.515  3.3988  1.799812       4.826796 
1 1 1 -10 -32 8  o 14.870  3.2444  33.887    14.170    30.456    22.392    36.178    18.300    14.333  4.8764  15.407  4.2809  -1.073910      6.488838 
1 1 1 -10 -32 9  o 11.181  4.6516  8.6551    23.027    8.6551    23.027    0.0000    0.0000    11.181  4.6516  ?       ?       ?              ?        
1 1 1 -10 -32 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -32 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -32 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -32 13 o 7.1762  3.4219  -21.3319  18.258    0.0000    0.0000    -21.3319  18.258    ?       ?       7.1762  3.4219  ?              ?        
1 1 1 -10 -32 14 o 17.913  4.7933  49.635    23.450    0.0000    0.0000    49.635    23.450    ?       ?       17.913  4.7933  ?              ?        
1 1 1 -10 -32 15 o 25.848  3.0545  99.142    20.318    113.790   29.918    86.602    27.682    27.739  4.1545  23.956  4.4787  3.783091       6.108946 
1 1 1 -10 -32 16 o 15.815  3.3994  38.732    16.478    23.242    25.092    50.476    21.849    13.464  5.0867  18.166  4.5110  -4.701701      6.798822 
1 1 1 -10 -32 17 o 20.525  3.2781  69.524    18.475    34.033    28.089    96.582    24.526    15.264  5.4440  25.786  3.6533  -10.52149      6.556200 
1 1 1 -10 -32 18 o 50.163  2.3926  358.282   31.949    369.695   45.422    347.107   44.946    50.991  3.3442  49.335  3.4225  1.655533       4.785111 
1 1 1 -10 -32 19 o 49.735  2.4276  353.188   32.121    368.426   45.652    338.250   45.202    50.857  3.3705  48.613  3.4948  2.243515       4.855266 
1 1 1 -10 -32 20 o 26.387  4.4159  104.889   30.108    0.0000    0.0000    104.889   30.108    ?       ?       26.387  4.4159  ?              ?        
1 1 1 -10 -32 21 o 12.787  5.0714  18.200    25.873    0.0000    0.0000    18.200    25.873    ?       ?       12.787  5.0714  ?              ?        
1 1 1 -10 -32 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -32 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -32 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -32 25 o 14.230  5.3901  28.454    28.221    28.454    28.221    0.0000    0.0000    14.230  5.3901  ?       ?       ?              ?        
1 1 1 -10 -32 26 o 32.665  3.1736  161.977   26.857    149.101   35.586    179.017   40.936    31.261  4.3693  34.069  4.6039  -2.807600      6.347188 
1 1 1 -10 -32 27 o 38.173  3.0636  222.032   30.379    220.374   40.074    224.272   46.583    38.383  3.9545  37.963  4.6803  0.4206200      6.127249 
1 1 1 -10 -32 28 o 21.134  4.0006  77.281    23.309    86.712    32.091    66.750    33.911    22.797  5.3478  19.471  5.9516  3.326618       8.001253 
1 1 1 -10 -32 29 o 20.957  5.4239  75.020    30.681    75.020    30.681    0.0000    0.0000    20.957  5.4239  ?       ?       ?              ?        
1 1 1 -10 -32 30 o 10.919  4.8207  3.2575    27.629    3.2575    27.629    0.0000    0.0000    10.919  4.8207  ?       ?       ?              ?        
1 1 1 -10 -31 1  o 21.895  3.0320  74.436    17.004    62.223    25.212    84.627    23.030    19.856  4.7947  23.935  3.7125  -4.078798      6.063938 
1 1 1 -10 -31 2  o 13.808  3.2662  28.299    14.144    26.092    22.097    29.830    18.409    13.547  4.8288  14.070  4.3992  -0.5226860     6.532307 
1 1 1 -10 -31 3  o 28.306  2.5736  116.427   19.015    115.363   27.718    117.374   26.134    28.099  3.7786  28.513  3.4952  -0.4139366     5.147219 
1 1 1 -10 -31 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -31 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -31 6  o 17.675  3.1873  49.682    15.680    31.185    24.418    62.662    20.454    14.698  5.0890  20.652  3.8390  -5.953364      6.374657 
1 1 1 -10 -31 7  o 23.659  2.8314  82.016    17.192    83.701    25.921    80.693    22.971    23.766  4.2269  23.553  3.7683  0.2135162      5.662730 
1 1 1 -10 -31 8  o 21.849  2.9483  69.822    16.543    89.763    24.741    53.696    22.248    24.844  3.8419  18.853  4.4732  5.990610       5.896569 
1 1 1 -10 -31 9  f 37.100  2.3549  194.749   23.139    193.098   33.180    196.313   32.286    36.908  3.3943  37.292  3.2652  -0.3840599     4.709864 
1 1 1 -10 -31 10 o 12.530  3.1926  18.516    13.632    29.632    21.863    11.446    17.436    14.348  4.8188  10.711  4.1893  3.637775       6.385219 
1 1 1 -10 -31 11 o 10.367  3.0263  6.9682    13.461    5.1900    21.319    8.1470    17.358    10.557  4.4398  10.177  4.1136  0.3801785      6.052519 
1 1 1 -10 -31 12 o 16.430  3.2612  38.820    14.965    53.671    23.569    28.789    19.371    18.790  4.6961  14.070  4.5264  4.719676       6.522387 
1 1 1 -10 -31 13 o 27.185  2.7683  108.040   19.383    96.792    28.170    118.156   26.713    25.626  4.2531  28.743  3.5448  -3.116634      5.536657 
1 1 1 -10 -31 14 o 34.218  2.5099  166.757   22.639    178.104   32.539    156.111   31.518    35.396  3.4770  33.040  3.6207  2.355953       5.019887 
1 1 1 -10 -31 15 o 23.191  3.1593  82.369    18.684    65.422    27.831    96.274    25.210    20.584  5.0791  25.798  3.7587  -5.213823      6.318619 
1 1 1 -10 -31 16 o 19.809  3.3298  59.313    17.339    64.653    26.007    55.041    23.263    20.577  4.8057  19.042  4.6102  1.534843       6.659542 
1 1 1 -10 -31 17 o 49.834  2.3444  350.437   31.114    353.786   44.052    347.102   43.951    50.082  3.3025  49.586  3.3285  0.4967613      4.688858 
1 1 1 -10 -31 18 o 13.160  3.2233  19.348    14.845    40.448    22.843    3.9216    19.532    16.306  4.8627  10.013  4.2324  6.292958       6.446659 
1 1 1 -10 -31 19 o 23.774  3.1279  84.132    19.150    93.822    28.086    75.713    26.180    25.126  4.3296  22.421  4.5155  2.705091       6.255804 
1 1 1 -10 -31 20 o 7.6323  2.5421  -17.3133  11.937    -7.6009   21.859    -21.4402  14.249    9.2467  4.1701  6.0179  2.9085  3.228816       5.084204 
1 1 1 -10 -31 21 o 38.210  2.5891  209.655   26.172    206.928   36.921    212.410   37.105    37.946  3.6788  38.474  3.6441  -0.5271187     5.178133 
1 1 1 -10 -31 22 o 62.402  2.3795  551.756   39.619    546.170   55.437    557.587   56.641    62.099  3.3453  62.705  3.3849  -0.6067924     4.759074 
1 1 1 -10 -31 23 o 15.305  3.7548  34.710    18.832    31.652    27.938    37.256    25.493    14.926  5.4160  15.685  5.2022  -0.7588243     7.509686 
1 1 1 -10 -31 24 o 9.3194  2.9905  -9.8913   16.369    -2.5514   22.814    -17.6793  23.500    9.9063  4.3768  8.7326  4.0763  1.173703       5.981013 
1 1 1 -10 -31 25 o 18.358  3.8031  52.975    20.198    40.618    27.586    67.254    29.654    16.203  5.4130  20.514  5.3437  -4.311251      7.606262 
1 1 1 -10 -31 26 o 20.529  5.1773  67.092    28.464    67.092    28.464    0.0000    0.0000    20.529  5.1773  ?       ?       ?              ?        
1 1 1 -10 -31 27 o 22.741  5.2688  82.847    31.464    82.847    31.464    0.0000    0.0000    22.741  5.2688  ?       ?       ?              ?        
1 1 1 -10 -31 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -31 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -31 30 o 14.202  5.4049  29.044    28.461    29.044    28.461    0.0000    0.0000    14.202  5.4049  ?       ?       ?              ?        
1 1 1 -10 -31 31 o 17.807  5.6679  54.429    30.434    54.429    30.434    0.0000    0.0000    17.807  5.6679  ?       ?       ?              ?        
1 1 1 -10 -31 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -31 33 o 8.9012  4.4793  -112.8795 48.529    0.0000    0.0000    -112.8795 48.529    ?       ?       8.9012  4.4793  ?              ?        
1 1 1 -10 -30 1  o 20.910  4.2163  65.287    22.799    0.0000    0.0000    65.287    22.799    ?       ?       20.910  4.2163  ?              ?        
1 1 1 -10 -30 2  o 33.054  2.3881  154.626   20.790    169.947   30.370    141.112   28.521    34.636  3.3140  31.471  3.4395  3.165339       4.776299 
1 1 1 -10 -30 3  o 33.556  2.3530  159.067   20.803    175.794   30.077    143.727   28.804    35.317  3.2147  31.795  3.4370  3.522413       4.706057 
1 1 1 -10 -30 4  f 25.090  2.6581  90.883    17.265    91.325    25.380    90.502    23.555    25.078  3.9055  25.102  3.6069  -0.2353668E-01 5.316266 
1 1 1 -10 -30 5  o 34.371  2.3381  166.520   21.247    170.722   30.686    162.651   29.447    34.775  3.3354  33.967  3.2774  0.8083992      4.676107 
1 1 1 -10 -30 6  o 22.178  2.8881  72.150    16.440    72.010    24.556    72.264    22.132    22.053  4.3117  22.302  3.8437  -0.2491741     5.776244 
1 1 1 -10 -30 7  f 7.9351  2.5650  -9.3973   11.801    -7.5211   19.154    -10.5453  14.983    8.6607  3.9049  7.2094  3.3269  1.451337       5.130003 
1 1 1 -10 -30 8  o 13.217  3.0625  24.734    13.011    14.288    20.005    32.391    17.128    11.625  4.5038  14.810  4.1511  -3.184599      6.125032 
1 1 1 -10 -30 9  o 9.2324  2.7233  -3.2395   11.354    16.155    19.369    -13.3923  14.014    11.830  4.4692  6.6347  3.1133  5.195381       5.446669 
1 1 1 -10 -30 10 o 7.4059  2.4153  -10.6512  10.841    -8.6049   17.314    -11.9705  13.903    8.0748  3.6695  6.7370  3.1416  1.337844       4.830572 
1 1 1 -10 -30 11 o 13.506  3.2330  25.559    13.894    22.378    21.602    27.804    18.146    13.142  4.7633  13.869  4.3725  -0.7272911     6.465940 
1 1 1 -10 -30 12 o 26.564  2.6381  100.947   18.206    110.870   26.577    92.173    24.991    27.845  3.6515  25.283  3.8085  2.561491       5.276188 
1 1 1 -10 -30 13 o 9.3246  2.8264  1.3575    12.466    -2.8088   20.099    3.9623    15.893    9.3923  4.1307  9.2569  3.8589  0.1354589      5.652784 
1 1 1 -10 -30 14 o 24.356  2.8816  87.027    17.998    81.097    26.606    92.030    24.437    23.410  4.4048  25.302  3.7166  -1.891775      5.763270 
1 1 1 -10 -30 15 o 32.632  2.4740  150.948   21.239    163.229   30.453    139.316   29.637    33.990  3.3901  31.274  3.6040  2.716713       4.947925 
1 1 1 -10 -30 16 o 42.418  2.3097  252.872   26.003    266.176   36.704    239.465   36.845    43.604  3.1642  41.231  3.3656  2.373371       4.619496 
1 1 1 -10 -30 17 o 19.335  3.3240  57.273    17.362    41.993    25.033    71.437    24.101    16.677  5.1161  21.993  4.2450  -5.315901      6.647939 
1 1 1 -10 -30 18 o 50.414  2.2801  356.374   30.620    358.056   42.926    354.632   43.689    50.563  3.1859  50.266  3.2626  0.2966576      4.560099 
1 1 1 -10 -30 19 o 46.227  2.3437  300.835   28.819    307.892   40.744    293.770   40.769    46.801  3.2709  45.653  3.3576  1.147991       4.687413 
1 1 1 -10 -30 20 o 25.206  3.0849  94.101    20.057    91.671    28.725    96.413    28.019    24.815  4.4869  25.597  4.2348  -0.7822495     6.169785 
1 1 1 -10 -30 21 o 8.8908  2.8192  -6.1383   13.868    -10.8731  21.315    -2.6628   18.262    8.8441  4.0392  8.9376  3.9339  -0.9356308E-01 5.638338 
1 1 1 -10 -30 22 o 12.586  3.4231  17.144    16.551    26.125    23.799    8.7319    23.033    13.875  5.0042  11.296  4.6720  2.578219       6.846150 
1 1 1 -10 -30 23 o 12.640  3.4905  17.695    17.097    17.986    24.058    17.399    24.300    12.666  4.9301  12.615  4.9425  0.5136013E-01  6.980974 
1 1 1 -10 -30 24 o 20.202  3.5971  65.850    20.071    82.597    26.692    44.061    30.447    23.476  4.4068  16.927  5.6866  6.548805       7.194288 
1 1 1 -10 -30 25 o 18.445  5.1375  53.232    26.322    53.232    26.322    0.0000    0.0000    18.445  5.1375  ?       ?       ?              ?        
1 1 1 -10 -30 26 o 26.904  4.4409  108.545   30.885    108.545   30.885    0.0000    0.0000    26.904  4.4409  ?       ?       ?              ?        
1 1 1 -10 -30 27 o 32.854  3.9356  157.876   33.943    157.876   33.943    0.0000    0.0000    32.854  3.9356  ?       ?       ?              ?        
1 1 1 -10 -30 28 o 27.884  4.5415  117.642   32.752    117.642   32.752    0.0000    0.0000    27.884  4.5415  ?       ?       ?              ?        
1 1 1 -10 -30 29 o 20.256  5.2638  65.719    28.820    65.719    28.820    0.0000    0.0000    20.256  5.2638  ?       ?       ?              ?        
1 1 1 -10 -30 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -30 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -30 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -30 33 o 26.391  8.1713  147.899   63.689    0.0000    0.0000    147.899   63.689    ?       ?       26.391  8.1713  ?              ?        
1 1 1 -10 -30 34 o 13.087  5.1615  23.069    26.662    0.0000    0.0000    23.069    26.662    ?       ?       13.087  5.1615  ?              ?        
1 1 1 -10 -30 35 o 35.719  3.9466  195.687   37.127    0.0000    0.0000    195.687   37.127    ?       ?       35.719  3.9466  ?              ?        
1 1 1 -10 -29 1  o 35.319  2.3326  176.185   21.730    163.617   31.114    188.151   30.361    33.988  3.4662  36.650  3.1225  -2.662304      4.665282 
1 1 1 -10 -29 2  o 45.937  2.1867  294.956   26.700    281.514   38.228    307.759   37.307    44.841  3.2040  47.032  2.9769  -2.190247      4.373453 
1 1 1 -10 -29 3  o 19.088  2.9315  53.572    14.509    56.493    21.610    51.176    19.576    19.530  4.2519  18.646  4.0369  0.8839626      5.862973 
1 1 1 -10 -29 4  o 32.811  2.2723  151.116   19.701    152.107   28.391    150.196   27.362    32.891  3.2659  32.731  3.1603  0.1598053      4.544601 
1 1 1 -10 -29 5  o 26.780  2.4820  101.402   17.321    111.735   25.557    92.622    23.558    28.068  3.4735  25.491  3.5464  2.577168       4.964060 
1 1 1 -10 -29 6  f 26.167  2.5363  96.909    17.053    119.571   25.182    77.717    23.174    29.141  3.2835  23.194  3.8664  5.946829       5.072559 
1 1 1 -10 -29 7  o 28.046  2.4035  111.056   17.672    113.441   25.610    108.889   24.417    28.316  3.4479  27.776  3.3495  0.5394878      4.807038 
1 1 1 -10 -29 8  f 42.234  2.1281  247.610   23.899    260.234   34.197    235.556   33.415    43.312  2.9655  41.156  3.0530  2.156532       4.256222 
1 1 1 -10 -29 9  o 16.721  3.1445  41.586    14.288    39.627    21.554    43.122    19.084    16.343  4.6831  17.100  4.1976  -0.7569942     6.289009 
1 1 1 -10 -29 10 o 21.353  2.8948  69.187    15.716    46.446    23.153    88.619    21.402    17.628  4.7822  25.079  3.2635  -7.450497      5.789607 
1 1 1 -10 -29 11 o 13.349  3.1865  23.310    13.839    33.283    20.329    14.697    18.893    15.113  4.6056  11.586  4.4050  3.526873       6.373036 
1 1 1 -10 -29 12 o 25.848  2.7331  96.405    18.163    83.870    26.056    108.254   25.333    24.024  4.2022  27.672  3.4958  -3.647678      5.466214 
1 1 1 -10 -29 13 o 26.791  2.8738  107.248   18.893    67.544    26.949    145.624   26.495    21.260  4.8409  32.322  3.0984  -11.06155      5.747550 
1 1 1 -10 -29 14 o 50.760  2.1896  357.397   29.624    351.113   41.800    363.739   41.990    50.298  3.1181  51.222  3.0748  -0.9241600     4.379127 
1 1 1 -10 -29 15 o 14.711  3.2559  26.755    15.788    51.656    23.579    6.5198    21.256    18.603  4.7235  10.819  4.4824  7.784704       6.511770 
1 1 1 -10 -29 16 o 54.998  2.2149  420.809   32.394    452.353   45.537    388.491   46.092    57.185  2.9833  52.811  3.2746  4.373692       4.429810 
1 1 1 -10 -29 17 o 25.996  2.8665  98.611    18.627    133.827   26.943    66.366    25.782    30.876  3.3094  21.116  4.6813  9.760666       5.732963 
1 1 1 -10 -29 18 o 10.457  3.0085  2.4964    13.838    19.475    21.319    -9.8660   18.191    12.700  4.7107  8.2132  3.7435  4.487071       6.017010 
1 1 1 -10 -29 19 o 22.526  3.1639  74.916    18.413    81.676    26.298    68.416    25.788    23.613  4.3170  21.439  4.6266  2.173872       6.327819 
1 1 1 -10 -29 20 o 30.235  2.6699  130.887   21.005    115.990   29.702    145.792   29.710    28.364  4.0221  32.106  3.5121  -3.741598      5.339709 
1 1 1 -10 -29 21 o 37.906  2.5725  202.333   25.414    195.988   33.031    211.538   39.784    37.340  3.3378  38.471  3.9154  -1.131226      5.145040 
1 1 1 -10 -29 22 o 21.539  3.4363  71.298    19.463    84.436    26.663    56.312    28.476    23.952  4.3147  19.125  5.3494  4.827055       6.872609 
1 1 1 -10 -29 23 o 11.427  4.6900  9.4045    22.982    9.4045    22.982    0.0000    0.0000    11.427  4.6900  ?       ?       ?              ?        
1 1 1 -10 -29 24 o 31.746  3.6791  144.276   30.704    144.276   30.704    0.0000    0.0000    31.746  3.6791  ?       ?       ?              ?        
1 1 1 -10 -29 25 o 26.879  4.1363  105.905   28.825    105.905   28.825    0.0000    0.0000    26.879  4.1363  ?       ?       ?              ?        
1 1 1 -10 -29 26 o 34.739  3.6538  173.092   33.489    173.092   33.489    0.0000    0.0000    34.739  3.6538  ?       ?       ?              ?        
1 1 1 -10 -29 27 o 10.215  4.4614  -0.4739   23.090    -0.4739   23.090    0.0000    0.0000    10.215  4.4614  ?       ?       ?              ?        
1 1 1 -10 -29 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -29 29 o 25.276  7.7809  117.896   57.844    0.0000    0.0000    117.896   57.844    ?       ?       25.276  7.7809  ?              ?        
1 1 1 -10 -29 30 o 34.749  7.4986  214.392   67.745    0.0000    0.0000    214.392   67.745    ?       ?       34.749  7.4986  ?              ?        
1 1 1 -10 -29 31 o 47.370  6.3340  370.331   78.353    0.0000    0.0000    370.331   78.353    ?       ?       47.370  6.3340  ?              ?        
1 1 1 -10 -29 32 f 25.637  4.5049  100.413   29.805    0.0000    0.0000    100.413   29.805    ?       ?       25.637  4.5049  ?              ?        
1 1 1 -10 -29 33 o 8.0125  3.7804  -19.0794  21.166    0.0000    0.0000    -19.0794  21.166    ?       ?       8.0125  3.7804  ?              ?        
1 1 1 -10 -29 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -29 35 o 8.4772  4.0141  -21.3026  24.267    0.0000    0.0000    -21.3026  24.267    ?       ?       8.4772  4.0141  ?              ?        
1 1 1 -10 -29 36 o 7.4810  3.6139  -28.2089  21.934    0.0000    0.0000    -28.2089  21.934    ?       ?       7.4810  3.6139  ?              ?        
1 1 1 -10 -29 37 o 23.314  4.9970  91.189    30.266    0.0000    0.0000    91.189    30.266    ?       ?       23.314  4.9970  ?              ?        
1 1 1 -10 -28 1  o 26.489  2.4781  99.771    16.876    120.838   24.386    80.408    23.379    29.356  3.1506  23.621  3.8260  5.734837       4.956263 
1 1 1 -10 -28 2  o 23.489  2.6105  80.231    15.613    65.942    22.642    93.185    21.559    21.242  4.1283  25.737  3.1962  -4.494999      5.221007 
1 1 1 -10 -28 3  o 10.496  2.8902  9.9295    11.625    15.054    17.964    6.2369    15.249    11.497  4.3123  9.4945  3.8493  2.002092       5.780406 
1 1 1 -10 -28 4  o 11.943  2.6495  13.906    12.160    -13.8221  17.838    37.976    16.620    7.7550  3.5967  16.131  3.8915  -8.375874      5.299062 
1 1 1 -10 -28 5  o 18.772  2.8870  53.081    14.266    34.840    20.845    69.156    19.568    15.460  4.6531  22.083  3.4186  -6.622954      5.773931 
1 1 1 -10 -28 6  f 13.029  3.0701  23.305    12.578    19.913    19.242    25.836    16.621    12.567  4.5033  13.490  4.1739  -0.9230890     6.140151 
1 1 1 -10 -28 7  o 20.075  2.9096  57.916    15.101    69.881    22.438    48.011    20.416    22.045  3.9449  18.106  4.2779  3.939034       5.819132 
1 1 1 -10 -28 8  o 9.9785  2.8754  6.2286    12.011    8.0606    18.293    4.8400    15.926    10.484  4.2281  9.4729  3.8980  1.011227       5.750732 
1 1 1 -10 -28 9  o 21.452  2.7150  65.961    15.014    64.005    21.543    67.809    20.937    21.095  3.9581  21.810  3.7173  -0.7144184     5.430004 
1 1 1 -10 -28 10 o 17.787  2.6530  41.216    14.069    90.483    21.668    5.3077    18.499    25.434  3.2554  10.141  4.1899  15.29338       5.305952 
1 1 1 -10 -28 11 o 12.072  3.1222  17.349    13.135    16.182    19.712    18.281    17.615    12.038  4.5169  12.106  4.3118  -0.6715012E-01 6.244490 
1 1 1 -10 -28 12 o 12.962  3.1400  20.892    13.368    30.585    20.016    13.086    17.962    14.684  4.5866  11.239  4.2898  3.444334       6.280066 
1 1 1 -10 -28 13 o 33.999  2.3335  160.829   20.925    147.919   29.475    173.946   29.711    32.561  3.4313  35.438  3.1634  -2.876564      4.666945 
1 1 1 -10 -28 14 o 26.288  2.6158  98.518    17.644    82.277    25.217    114.096   24.697    23.969  4.0736  28.607  3.2825  -4.638165      5.231586 
1 1 1 -10 -28 15 o 27.456  2.6101  106.917   18.334    130.741   26.260    84.262    25.608    30.656  3.2476  24.256  4.0870  6.400032       5.220177 
1 1 1 -10 -28 16 o 24.853  2.7507  88.073    17.672    83.840    25.390    92.050    24.612    24.198  4.0612  25.508  3.7112  -1.310150      5.501438 
1 1 1 -10 -28 17 o 44.738  2.2031  276.917   26.171    296.049   36.868    257.486   37.155    46.361  2.9849  43.115  3.2411  3.245190       4.406168 
1 1 1 -10 -28 18 o 42.879  2.2670  254.741   25.769    231.122   36.106    279.261   36.789    40.785  3.3344  44.973  3.0724  -4.188320      4.534063 
1 1 1 -10 -28 19 o 52.610  2.4366  371.189   33.474    316.953   42.525    459.531   54.273    47.776  3.3442  57.444  3.5447  -9.668751      4.873262 
1 1 1 -10 -28 20 o 35.639  2.5792  179.510   23.741    184.345   30.921    172.566   37.055    36.420  3.2023  34.857  4.0440  1.563347       5.158345 
1 1 1 -10 -28 21 o 18.397  4.7233  50.216    23.394    50.216    23.394    0.0000    0.0000    18.397  4.7233  ?       ?       ?              ?        
1 1 1 -10 -28 22 o 24.095  4.2427  84.255    26.382    84.255    26.382    0.0000    0.0000    24.095  4.2427  ?       ?       ?              ?        
1 1 1 -10 -28 23 o 11.891  4.6361  14.159    21.301    14.159    21.301    0.0000    0.0000    11.891  4.6361  ?       ?       ?              ?        
1 1 1 -10 -28 24 o 11.459  4.6192  10.665    21.824    10.665    21.824    0.0000    0.0000    11.459  4.6192  ?       ?       ?              ?        
1 1 1 -10 -28 25 o 74.257  3.2824  768.387   65.285    768.387   65.285    0.0000    0.0000    74.257  3.2824  ?       ?       ?              ?        
1 1 1 -10 -28 26 o 13.352  5.7539  6.1056    37.362    6.1056    37.362    0.0000    0.0000    13.352  5.7539  ?       ?       ?              ?        
1 1 1 -10 -28 27 o 34.560  7.1246  197.964   63.760    0.0000    0.0000    197.964   63.760    ?       ?       34.560  7.1246  ?              ?        
1 1 1 -10 -28 28 o 28.357  7.4983  139.486   57.822    0.0000    0.0000    139.486   57.822    ?       ?       28.357  7.4983  ?              ?        
1 1 1 -10 -28 29 o 30.153  7.4293  158.055   59.613    0.0000    0.0000    158.055   59.613    ?       ?       30.153  7.4293  ?              ?        
1 1 1 -10 -28 30 o 8.2817  3.8455  -14.5617  20.478    0.0000    0.0000    -14.5617  20.478    ?       ?       8.2817  3.8455  ?              ?        
1 1 1 -10 -28 31 o 36.187  3.4614  187.738   33.140    0.0000    0.0000    187.738   33.140    ?       ?       36.187  3.4614  ?              ?        
1 1 1 -10 -28 32 o 20.357  4.8030  64.561    25.766    0.0000    0.0000    64.561    25.766    ?       ?       20.357  4.8030  ?              ?        
1 1 1 -10 -28 33 f 15.891  5.1913  39.349    25.422    0.0000    0.0000    39.349    25.422    ?       ?       15.891  5.1913  ?              ?        
1 1 1 -10 -28 34 o 21.521  4.8881  73.026    27.535    0.0000    0.0000    73.026    27.535    ?       ?       21.521  4.8881  ?              ?        
1 1 1 -10 -28 35 o 20.947  4.8727  69.792    26.824    0.0000    0.0000    69.792    26.824    ?       ?       20.947  4.8727  ?              ?        
1 1 1 -10 -28 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -28 37 o 17.026  5.3311  48.837    27.024    0.0000    0.0000    48.837    27.024    ?       ?       17.026  5.3311  ?              ?        
1 1 1 -10 -28 38 o 25.913  4.5894  107.737   30.688    0.0000    0.0000    107.737   30.688    ?       ?       25.913  4.5894  ?              ?        
1 1 1 -10 -28 39 o 18.305  5.6342  61.545    30.330    0.0000    0.0000    61.545    30.330    ?       ?       18.305  5.6342  ?              ?        
1 1 1 -10 -27 1  o 27.466  2.4140  107.020   17.071    87.428    24.181    126.487   24.103    24.765  3.7638  30.166  3.0237  -5.401077      4.827974 
1 1 1 -10 -27 2  o 30.555  2.2790  130.227   18.355    125.907   26.101    134.454   25.816    30.019  3.3007  31.090  3.1433  -1.070871      4.557951 
1 1 1 -10 -27 3  o 28.702  2.3352  116.404   17.305    96.323    24.848    135.318   24.115    26.112  3.6527  31.293  2.9104  -5.180861      4.670388 
1 1 1 -10 -27 4  o 25.881  2.4710  94.327    16.391    115.705   23.682    74.670    22.709    28.869  3.1119  22.893  3.8393  5.976305       4.942089 
1 1 1 -10 -27 5  o 23.744  2.5718  79.508    15.345    108.942   22.689    54.696    20.831    28.031  3.0722  19.456  4.1253  8.575039       5.143585 
1 1 1 -10 -27 6  o 23.652  2.5485  78.666    15.611    82.570    22.868    75.259    21.364    24.199  3.6409  23.105  3.5669  1.094324       5.096975 
1 1 1 -10 -27 7  o 49.171  2.1328  332.125   27.933    324.058   39.947    339.843   39.074    48.556  3.0875  49.787  2.9432  -1.230320      4.265618 
1 1 1 -10 -27 8  o 14.559  2.9684  26.907    13.440    49.397    20.162    8.9198    18.031    18.498  4.1690  10.619  4.2266  7.879870       5.936710 
1 1 1 -10 -27 9  o 40.404  3.0514  224.353   32.779    224.353   32.779    0.0000    0.0000    40.404  3.0514  ?       ?       ?              ?        
1 1 1 -10 -27 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 20 o 15.627  4.8893  34.648    22.736    34.648    22.736    0.0000    0.0000    15.627  4.8893  ?       ?       ?              ?        
1 1 1 -10 -27 21 o 18.076  4.6323  47.799    22.531    47.799    22.531    0.0000    0.0000    18.076  4.6323  ?       ?       ?              ?        
1 1 1 -10 -27 22 o 22.839  4.2495  75.180    25.039    75.180    25.039    0.0000    0.0000    22.839  4.2495  ?       ?       ?              ?        
1 1 1 -10 -27 23 o 8.4912  3.8563  -9.9496   19.086    -9.9496   19.086    0.0000    0.0000    8.4912  3.8563  ?       ?       ?              ?        
1 1 1 -10 -27 24 f 44.348  3.1909  272.445   37.650    272.445   37.650    0.0000    0.0000    44.348  3.1909  ?       ?       ?              ?        
1 1 1 -10 -27 25 o 62.276  5.5417  571.635   91.473    0.0000    0.0000    571.635   91.473    ?       ?       62.276  5.5417  ?              ?        
1 1 1 -10 -27 26 o 29.077  7.0709  136.034   54.539    0.0000    0.0000    136.034   54.539    ?       ?       29.077  7.0709  ?              ?        
1 1 1 -10 -27 27 o 13.186  5.8897  -6.7889   42.458    0.0000    0.0000    -6.7889   42.458    ?       ?       13.186  5.8897  ?              ?        
1 1 1 -10 -27 28 o 46.167  3.1716  297.547   38.981    0.0000    0.0000    297.547   38.981    ?       ?       46.167  3.1716  ?              ?        
1 1 1 -10 -27 29 o 14.338  4.8396  29.251    22.053    0.0000    0.0000    29.251    22.053    ?       ?       14.338  4.8396  ?              ?        
1 1 1 -10 -27 30 o 54.140  3.0907  410.244   44.634    0.0000    0.0000    410.244   44.634    ?       ?       54.140  3.0907  ?              ?        
1 1 1 -10 -27 31 o 13.765  4.8545  26.420    22.275    0.0000    0.0000    26.420    22.275    ?       ?       13.765  4.8545  ?              ?        
1 1 1 -10 -27 32 f 45.679  3.1979  295.065   38.880    0.0000    0.0000    295.065   38.880    ?       ?       45.679  3.1979  ?              ?        
1 1 1 -10 -27 33 o 12.650  4.8838  19.137    23.460    0.0000    0.0000    19.137    23.460    ?       ?       12.650  4.8838  ?              ?        
1 1 1 -10 -27 34 o 10.047  4.3773  0.6118    22.104    0.0000    0.0000    0.6118    22.104    ?       ?       10.047  4.3773  ?              ?        
1 1 1 -10 -27 35 f 11.734  4.7085  14.005    22.561    0.0000    0.0000    14.005    22.561    ?       ?       11.734  4.7085  ?              ?        
1 1 1 -10 -27 36 o 21.495  5.0006  73.684    28.248    0.0000    0.0000    73.684    28.248    ?       ?       21.495  5.0006  ?              ?        
1 1 1 -10 -27 37 o 14.202  5.2538  29.664    26.484    0.0000    0.0000    29.664    26.484    ?       ?       14.202  5.2538  ?              ?        
1 1 1 -10 -27 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -27 39 o 10.620  3.3224  -0.4136   18.796    11.595    27.864    -10.4403  25.461    11.816  5.0275  9.4248  4.3450  2.391295       6.644845 
1 1 1 -10 -27 40 o 9.8059  2.9719  -15.7980  16.877    -56.2504  23.629    26.337    24.115    6.4861  3.2447  13.126  4.9800  -6.639568      5.943755 
1 1 1 -10 -26 1  o 23.822  2.4869  79.969    15.357    76.176    22.040    83.548    21.410    23.213  3.6665  24.430  3.3609  -1.216785      4.973822 
1 1 1 -10 -26 2  o 38.467  2.0977  203.378   21.442    199.760   30.414    206.952   30.233    38.113  3.0036  38.821  2.9291  -0.7085648     4.195387 
1 1 1 -10 -26 3  o 18.758  5.2937  51.507    27.757    51.507    27.757    0.0000    0.0000    18.758  5.2937  ?       ?       ?              ?        
1 1 1 -10 -26 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -26 5  o 34.368  3.6972  164.211   33.499    0.0000    0.0000    164.211   33.499    ?       ?       34.368  3.6972  ?              ?        
1 1 1 -10 -26 6  o 96.057  2.4546  1264.40   63.144    1258.90   90.003    1269.74   88.610    95.829  3.5065  96.285  3.4359  -0.4560928     4.909211 
1 1 1 -10 -26 7  o 20.656  2.6804  59.711    14.218    72.022    21.209    49.662    19.161    22.656  3.6165  18.655  3.9573  4.001089       5.360864 
1 1 1 -10 -26 8  o 64.949  2.0948  573.763   36.438    586.989   51.861    560.868   51.207    65.693  2.9474  64.204  2.9777  1.488525       4.189675 
1 1 1 -10 -26 9  o 35.964  2.1206  177.085   20.234    183.375   28.797    170.952   28.436    36.608  2.9623  35.319  3.0354  1.288670       4.241270 
1 1 1 -10 -26 10 o 29.676  2.3119  121.734   17.925    139.122   25.605    105.021   25.103    31.840  3.0393  27.512  3.4846  4.328018       4.623851 
1 1 1 -10 -26 11 o 59.898  2.0645  487.451   33.121    481.647   46.749    493.300   46.932    59.536  2.9316  60.259  2.9078  -0.7229233     4.129090 
1 1 1 -10 -26 12 o 46.211  2.0745  291.947   25.463    315.268   35.840    268.177   36.184    48.125  2.7924  44.297  3.0685  3.828205       4.148900 
1 1 1 -10 -26 13 o 29.165  2.3008  117.309   17.664    119.674   25.008    114.954   24.953    29.471  3.2206  28.860  3.2867  0.6105766      4.601593 
1 1 1 -10 -26 14 o 34.126  2.2127  160.276   19.914    174.459   28.012    145.784   28.316    35.713  2.9550  32.539  3.2944  3.174187       4.425455 
1 1 1 -10 -26 15 o 51.420  2.0542  360.225   28.167    357.519   39.278    363.090   40.415    51.230  2.8740  51.610  2.9357  -0.3799477     4.108319 
1 1 1 -10 -26 16 o 68.078  2.1517  630.459   39.228    615.205   54.976    646.282   55.991    67.236  3.0527  68.920  3.0331  -1.684311      4.303314 
1 1 1 -10 -26 17 o 86.796  2.7865  1041.49   61.422    1050.13   76.158    1025.43   103.886   87.740  3.2406  85.851  4.5339  1.889374       5.572934 
1 1 1 -10 -26 18 o 27.792  2.6242  106.784   18.938    99.142    25.198    116.704   28.710    26.667  3.6214  28.916  3.7987  -2.249283      5.248305 
1 1 1 -10 -26 19 o 54.718  2.9159  408.451   42.582    408.451   42.582    0.0000    0.0000    54.718  2.9159  ?       ?       ?              ?        
1 1 1 -10 -26 20 o 55.777  2.9313  424.689   43.640    424.689   43.640    0.0000    0.0000    55.777  2.9313  ?       ?       ?              ?        
1 1 1 -10 -26 21 o 47.882  2.9731  313.663   37.942    313.663   37.942    0.0000    0.0000    47.882  2.9731  ?       ?       ?              ?        
1 1 1 -10 -26 22 o 48.920  2.9874  327.717   38.957    327.717   38.957    0.0000    0.0000    48.920  2.9874  ?       ?       ?              ?        
1 1 1 -10 -26 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -26 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -26 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -26 26 o 44.736  3.0803  276.093   36.684    0.0000    0.0000    276.093   36.684    ?       ?       44.736  3.0803  ?              ?        
1 1 1 -10 -26 27 o 12.259  4.5968  17.029    20.410    0.0000    0.0000    17.029    20.410    ?       ?       12.259  4.5968  ?              ?        
1 1 1 -10 -26 28 o 22.611  4.0880  73.938    23.847    0.0000    0.0000    73.938    23.847    ?       ?       22.611  4.0880  ?              ?        
1 1 1 -10 -26 29 o 38.373  3.1439  205.077   32.030    0.0000    0.0000    205.077   32.030    ?       ?       38.373  3.1439  ?              ?        
1 1 1 -10 -26 30 o 45.632  3.1511  290.397   38.278    0.0000    0.0000    290.397   38.278    ?       ?       45.632  3.1511  ?              ?        
1 1 1 -10 -26 31 o 49.015  3.1005  335.540   40.495    0.0000    0.0000    335.540   40.495    ?       ?       49.015  3.1005  ?              ?        
1 1 1 -10 -26 32 o 11.865  4.7043  13.906    22.256    0.0000    0.0000    13.906    22.256    ?       ?       11.865  4.7043  ?              ?        
1 1 1 -10 -26 33 o 43.725  3.1570  269.579   36.725    0.0000    0.0000    269.579   36.725    ?       ?       43.725  3.1570  ?              ?        
1 1 1 -10 -26 34 o 26.113  4.0384  100.746   27.334    0.0000    0.0000    100.746   27.334    ?       ?       26.113  4.0384  ?              ?        
1 1 1 -10 -26 35 o 33.510  2.6737  164.213   23.493    156.029   33.909    171.768   32.579    32.561  3.9703  34.460  3.5820  -1.899551      5.347310 
1 1 1 -10 -26 36 o 15.630  3.5569  37.598    17.582    24.325    25.315    49.967    24.437    13.504  5.1075  17.755  4.9518  -4.250436      7.113833 
1 1 1 -10 -26 37 o 21.681  3.4503  75.753    20.004    100.808   28.124    50.098    28.459    25.831  4.2098  17.531  5.4678  8.300060       6.900641 
1 1 1 -10 -26 38 o 9.1035  2.8351  -25.0007  16.058    17.761    22.963    -65.9249  22.464    12.211  4.7983  5.9961  3.0212  6.214890       5.670255 
1 1 1 -10 -26 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -26 40 o 10.744  3.3006  4.5462    17.782    9.7006    24.782    -0.9236   25.530    11.227  4.7576  10.260  4.5760  0.9667645      6.601118 
1 1 1 -10 -26 41 o 15.537  3.5611  36.972    19.658    6.4128    27.443    69.174    28.172    11.099  4.8552  19.976  5.2107  -8.877392      7.122113 
1 1 1 -10 -25 1  o 73.702  2.1829  741.291   43.068    720.613   61.278    761.477   60.544    72.659  3.1487  74.745  3.0241  -2.086426      4.365710 
1 1 1 -10 -25 2  o 57.871  2.0407  456.041   31.566    446.362   44.849    465.542   44.435    57.211  2.9366  58.531  2.8343  -1.319981      4.081323 
1 1 1 -10 -25 3  o 31.251  2.1076  134.077   17.407    129.721   24.921    138.228   24.323    30.728  3.0689  31.773  2.8897  -1.044899      4.215256 
1 1 1 -10 -25 4  o 11.297  2.7053  13.069    10.518    27.529    15.937    1.9108    14.000    13.988  4.0325  8.6056  3.6074  5.382191       5.410524 
1 1 1 -10 -25 5  o 57.496  2.0137  448.168   31.004    458.462   44.436    438.403   43.279    58.137  2.8536  56.854  2.8420  1.283184       4.027357 
1 1 1 -10 -25 6  o 35.456  2.1054  171.368   19.768    186.982   28.661    157.202   27.300    37.017  2.9142  33.894  3.0394  3.123569       4.210815 
1 1 1 -10 -25 7  o 62.369  2.0826  527.448   34.760    558.783   49.639    497.301   48.690    64.201  2.8866  60.536  3.0028  3.665043       4.165283 
1 1 1 -10 -25 8  o 30.475  2.1466  127.454   17.236    117.584   24.433    137.233   24.320    29.257  3.1685  31.693  2.8969  -2.436262      4.293159 
1 1 1 -10 -25 9  o 60.743  2.0667  500.149   33.620    507.802   47.456    492.438   47.637    61.217  2.8942  60.269  2.9509  0.9470749      4.133332 
1 1 1 -10 -25 10 o 62.005  2.0577  521.039   34.154    498.557   48.139    543.827   48.465    60.645  2.9635  63.365  2.8555  -2.720852      4.115428 
1 1 1 -10 -25 11 o 34.303  2.1223  161.362   19.123    186.179   27.202    137.115   26.888    36.991  2.7655  31.616  3.2202  5.375011       4.244699 
1 1 1 -10 -25 12 o 33.909  2.1235  157.312   18.933    134.342   26.418    181.571   27.148    31.297  3.1962  36.522  2.7965  -5.224163      4.246917 
1 1 1 -10 -25 13 o 15.715  2.9570  35.312    12.980    24.877    18.844    44.734    17.906    13.668  4.4696  17.763  3.8727  -4.094813      5.913993 
1 1 1 -10 -25 14 o 50.856  2.0224  350.942   27.378    320.723   38.049    383.385   39.424    48.561  2.9391  53.150  2.7789  -4.588985      4.044837 
1 1 1 -10 -25 15 o 47.747  2.0611  310.776   26.166    326.965   36.453    293.569   37.582    49.069  2.7851  46.425  3.0391  2.643810       4.122240 
1 1 1 -10 -25 16 o 7.4805  2.4386  -13.2562  11.385    -7.2749   16.692    -18.4594  15.568    8.1907  3.6731  6.7703  3.2086  1.420419       4.877150 
1 1 1 -10 -25 17 o 28.955  2.5377  116.020   18.827    116.067   24.282    115.949   29.812    29.063  3.1707  28.847  3.9630  0.2161064      5.075305 
1 1 1 -10 -25 18 o 19.364  4.2419  53.462    21.392    53.462    21.392    0.0000    0.0000    19.364  4.2419  ?       ?       ?              ?        
1 1 1 -10 -25 19 o 24.734  3.6219  85.231    23.284    85.231    23.284    0.0000    0.0000    24.734  3.6219  ?       ?       ?              ?        
1 1 1 -10 -25 20 o 45.468  2.8726  281.566   34.804    281.566   34.804    0.0000    0.0000    45.468  2.8726  ?       ?       ?              ?        
1 1 1 -10 -25 21 o 61.243  2.9177  509.403   47.861    509.403   47.861    0.0000    0.0000    61.243  2.9177  ?       ?       ?              ?        
1 1 1 -10 -25 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -25 23 o 56.008  5.0096  442.400   74.358    0.0000    0.0000    442.400   74.358    ?       ?       56.008  5.0096  ?              ?        
1 1 1 -10 -25 24 o 50.055  2.9836  342.502   39.820    0.0000    0.0000    342.502   39.820    ?       ?       50.055  2.9836  ?              ?        
1 1 1 -10 -25 25 f 49.829  2.9841  339.816   39.644    0.0000    0.0000    339.816   39.644    ?       ?       49.829  2.9841  ?              ?        
1 1 1 -10 -25 26 o 47.093  2.9949  304.116   37.582    0.0000    0.0000    304.116   37.582    ?       ?       47.093  2.9949  ?              ?        
1 1 1 -10 -25 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -25 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -25 29 o 18.530  4.4784  50.421    21.981    0.0000    0.0000    50.421    21.981    ?       ?       18.530  4.4784  ?              ?        
1 1 1 -10 -25 30 o 27.549  3.5667  107.211   25.701    0.0000    0.0000    107.211   25.701    ?       ?       27.549  3.5667  ?              ?        
1 1 1 -10 -25 31 o 14.920  4.7818  32.026    21.633    0.0000    0.0000    32.026    21.633    ?       ?       14.920  4.7818  ?              ?        
1 1 1 -10 -25 32 o 7.0419  3.3628  -22.0928  17.770    0.0000    0.0000    -22.0928  17.770    ?       ?       7.0419  3.3628  ?              ?        
1 1 1 -10 -25 33 o 25.592  2.9843  96.284    19.646    109.399   28.089    83.724    27.489    27.478  3.9282  23.705  4.4938  3.772951       5.968632 
1 1 1 -10 -25 34 o 24.639  3.1550  92.215    19.819    71.689    28.429    111.624   27.645    21.541  5.0202  27.736  3.8227  -6.194847      6.309940 
1 1 1 -10 -25 35 o 15.831  3.5242  37.683    17.285    50.701    24.456    24.690    24.434    18.048  4.9228  13.614  5.0444  4.434224       7.048379 
1 1 1 -10 -25 36 o 28.416  2.9567  121.698   21.413    100.692   30.953    140.975   29.653    25.650  4.6777  31.182  3.6176  -5.531752      5.913400 
1 1 1 -10 -25 37 o 12.497  3.0075  7.2155    16.147    47.869    23.013    -32.2083  22.662    17.455  4.7812  7.5390  3.6498  9.916248       6.015018 
1 1 1 -10 -25 38 o 15.475  3.7516  37.266    18.750    38.065    26.605    36.477    26.430    15.603  5.3153  15.348  5.2957  0.2550068      7.503119 
1 1 1 -10 -25 39 o 17.961  3.7561  53.001    19.401    48.398    27.556    57.525    27.320    17.182  5.3839  18.740  5.2390  -1.557384      7.512237 
1 1 1 -10 -25 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -25 41 o 7.3207  2.5204  -32.8428  15.825    -29.5594  21.334    -36.8598  23.597    7.2645  3.5229  7.3768  3.6055  -0.1122680     5.040864 
1 1 1 -10 -25 42 o 45.619  2.6252  315.856   31.766    327.725   44.745    303.795   45.106    46.630  3.6107  44.609  3.8117  2.021042       5.250363 
1 1 1 -10 -24 1  o 47.455  1.9899  306.434   25.163    295.325   35.686    317.421   35.487    46.581  2.8742  48.329  2.7528  -1.748714      3.979822 
1 1 1 -10 -24 2  o 74.716  2.1383  757.516   42.790    757.758   60.911    757.281   60.124    74.722  3.0434  74.711  3.0045  0.1099396E-01  4.276645 
1 1 1 -10 -24 3  o 31.959  2.0633  139.512   17.463    138.669   24.916    140.326   24.482    31.855  2.9538  32.062  2.8817  -0.2062759     4.126571 
1 1 1 -10 -24 4  o 44.695  1.9703  271.315   23.436    290.297   33.415    252.940   32.877    46.257  2.7088  43.134  2.8619  3.122700       3.940619 
1 1 1 -10 -24 5  o 44.939  1.9592  274.222   23.459    267.779   33.336    280.543   33.017    44.404  2.8175  45.475  2.7233  -1.070400      3.918436 
1 1 1 -10 -24 6  o 33.031  2.0845  148.799   18.244    153.235   25.981    144.483   25.625    33.525  2.9225  32.537  2.9733  0.9888878      4.169085 
1 1 1 -10 -24 7  o 21.158  2.5202  62.810    13.709    56.494    19.737    68.697    19.056    20.045  3.8155  22.272  3.2937  -2.227406      5.040488 
1 1 1 -10 -24 8  o 36.989  2.0095  186.162   19.719    172.684   27.744    199.918   28.031    35.609  2.9350  38.369  2.7456  -2.759956      4.019039 
1 1 1 -10 -24 9  f 49.199  1.9903  328.255   26.114    331.311   36.742    325.136   37.122    49.437  2.7861  48.960  2.8430  0.4764786      3.980552 
1 1 1 -10 -24 10 f 35.708  2.0599  173.448   19.522    167.169   27.255    180.063   27.975    35.037  2.9312  36.379  2.8950  -1.342045      4.119806 
1 1 1 -10 -24 11 o 14.530  2.3948  23.236    12.037    62.661    17.750    -10.3306  16.378    21.274  3.2153  7.7858  3.5500  13.48808       4.789586 
1 1 1 -10 -24 12 o 83.010  2.2210  933.368   49.382    935.505   69.698    931.214   69.976    83.108  3.1311  82.911  3.1510  0.1967545      4.442094 
1 1 1 -10 -24 13 o 17.243  2.8928  42.230    13.161    40.339    18.892    44.014    18.345    16.858  4.1995  17.628  3.9795  -0.7704926     5.785543 
1 1 1 -10 -24 14 o 76.152  2.1395  784.799   43.635    770.336   61.210    799.744   62.221    75.438  3.0293  76.866  3.0221  -1.428429      4.279034 
1 1 1 -10 -24 15 o 33.414  2.4775  157.044   20.904    169.223   26.796    138.106   33.413    35.263  2.8617  31.566  4.0451  3.697515       4.954997 
1 1 1 -10 -24 16 f 94.255  2.8676  1228.21   68.148    1257.52   84.170    1172.43   116.109   96.284  3.2637  92.225  4.7161  4.059341       5.735297 
1 1 1 -10 -24 17 o 11.416  4.2890  13.434    17.785    13.434    17.785    0.0000    0.0000    11.416  4.2890  ?       ?       ?              ?        
1 1 1 -10 -24 18 o 28.913  3.1830  114.701   24.242    114.701   24.242    0.0000    0.0000    28.913  3.1830  ?       ?       ?              ?        
1 1 1 -10 -24 19 o 43.216  2.8006  253.696   32.243    253.696   32.243    0.0000    0.0000    43.216  2.8006  ?       ?       ?              ?        
1 1 1 -10 -24 20 o 34.349  3.0720  161.243   27.965    161.243   27.965    0.0000    0.0000    34.349  3.0720  ?       ?       ?              ?        
1 1 1 -10 -24 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -24 22 o 59.174  4.7898  487.528   75.265    0.0000    0.0000    487.528   75.265    ?       ?       59.174  4.7898  ?              ?        
1 1 1 -10 -24 23 o 26.920  3.4727  100.390   24.456    0.0000    0.0000    100.390   24.456    ?       ?       26.920  3.4727  ?              ?        
1 1 1 -10 -24 24 o 52.090  2.8931  369.435   40.207    0.0000    0.0000    369.435   40.207    ?       ?       52.090  2.8931  ?              ?        
1 1 1 -10 -24 25 o 28.753  3.2724  114.149   24.754    0.0000    0.0000    114.149   24.754    ?       ?       28.753  3.2724  ?              ?        
1 1 1 -10 -24 26 o 16.674  4.4228  39.953    20.076    0.0000    0.0000    39.953    20.076    ?       ?       16.674  4.4228  ?              ?        
1 1 1 -10 -24 27 o 96.065  3.4006  1264.72   87.499    0.0000    0.0000    1264.72   87.499    ?       ?       96.065  3.4006  ?              ?        
1 1 1 -10 -24 28 o 5.3460  2.6653  -39.4997  15.358    0.0000    0.0000    -39.4997  15.358    ?       ?       5.3460  2.6653  ?              ?        
1 1 1 -10 -24 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -24 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -24 31 o 34.489  2.3515  165.621   21.438    170.609   31.046    161.076   29.638    34.977  3.3551  34.001  3.2957  0.9756775      4.703026 
1 1 1 -10 -24 32 o 32.198  2.4749  145.712   20.791    170.671   30.064    122.835   28.782    34.971  3.2467  29.424  3.7362  5.546589       4.949773 
1 1 1 -10 -24 33 o 49.126  2.2213  336.143   29.054    326.806   41.422    345.185   40.763    48.409  3.2129  49.843  3.0682  -1.433811      4.442581 
1 1 1 -10 -24 34 o 16.133  3.2825  37.787    16.308    58.776    23.009    16.602    23.117    19.834  4.4416  12.433  4.8345  7.401100       6.565069 
1 1 1 -10 -24 35 o 10.567  3.0524  2.4959    14.950    -15.7057  21.116    20.792    21.170    8.3754  3.8943  12.758  4.7015  -4.382653      6.104874 
1 1 1 -10 -24 36 o 17.925  3.5580  49.470    18.375    66.521    26.498    33.675    25.504    20.744  4.8550  15.106  5.2026  5.637903       7.116046 
1 1 1 -10 -24 37 o 16.536  2.9236  35.922    17.448    83.830    24.404    -14.1784  24.956    23.777  3.9720  9.2957  4.2911  14.48122       5.847296 
1 1 1 -10 -24 38 o 25.345  3.2312  98.543    21.112    94.438    30.093    102.523   29.626    24.711  4.7187  25.980  4.4155  -1.268494      6.462383 
1 1 1 -10 -24 39 o 30.946  2.9547  144.950   23.183    179.980   33.010    110.856   32.566    35.166  3.5534  26.727  4.7218  8.438541       5.909429 
1 1 1 -10 -24 40 o 8.2261  2.7430  -21.0923  15.989    -10.5251  21.919    -33.1115  23.376    8.8437  4.0602  7.6085  3.6892  1.235210       5.485918 
1 1 1 -10 -24 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -24 42 o 14.805  3.8539  34.888    20.156    28.839    27.542    41.864    29.576    13.866  5.3074  15.744  5.5893  -1.877305      7.707715 
1 1 1 -10 -24 43 o 12.209  3.5663  12.181    19.892    -6.7782   26.735    35.694    29.773    9.8173  4.4987  14.600  5.5349  -4.782986      7.132503 
1 1 1 -10 -23 1  o 123.207 2.8109  2073.84   92.714    2009.90   131.612   2136.82   130.628   121.275 4.0517  125.139 3.8972  -3.864182      5.621809 
1 1 1 -10 -23 2  o 31.653  2.0146  136.657   16.870    144.843   23.862    128.476   23.854    32.626  2.7564  30.680  2.9388  1.946899       4.029113 
1 1 1 -10 -23 3  o 80.613  2.1992  880.453   47.455    850.411   67.423    909.946   66.804    79.231  3.1771  81.996  3.0417  -2.765472      4.398395 
1 1 1 -10 -23 4  o 23.798  2.2495  78.963    13.752    65.985    19.809    91.036    19.105    21.784  3.5145  25.811  2.8088  -4.026987      4.499052 
1 1 1 -10 -23 5  o 48.230  1.9431  315.099   24.979    330.241   35.483    300.221   35.172    49.394  2.6921  47.067  2.8026  2.326717       3.886171 
1 1 1 -10 -23 6  o 31.801  2.0585  138.408   17.233    123.995   24.629    152.232   24.121    30.123  3.0966  33.479  2.7132  -3.355669      4.117097 
1 1 1 -10 -23 7  o 54.591  1.9877  403.021   28.995    388.896   41.003    417.149   41.007    53.588  2.8671  55.595  2.7538  -2.007469      3.975379 
1 1 1 -10 -23 8  o 23.858  2.2589  78.239    13.963    90.657    20.222    66.924    19.303    25.734  2.9894  21.981  3.3873  3.753130       4.517800 
1 1 1 -10 -23 9  o 53.845  1.9722  392.310   28.304    357.864   39.857    427.350   40.200    51.399  2.9070  56.292  2.6662  -4.892952      3.944497 
1 1 1 -10 -23 10 o 31.326  2.0921  133.674   17.341    129.838   24.390    137.596   24.660    30.862  2.9879  31.789  2.9291  -0.9272385     4.184156 
1 1 1 -10 -23 11 o 125.276 2.8020  2133.84   94.010    2173.25   133.035   2094.53   132.865   126.447 3.9280  124.104 3.9970  2.343521       5.604015 
1 1 1 -10 -23 12 o 34.338  2.0701  160.262   18.851    154.376   26.360    166.422   26.968    33.684  2.9514  34.992  2.9036  -1.307320      4.140255 
1 1 1 -10 -23 13 o 72.031  2.0893  700.515   40.302    683.942   56.449    717.745   57.559    71.161  2.9616  72.901  2.9477  -1.740204      4.178527 
1 1 1 -10 -23 14 o 37.264  2.2783  187.109   21.952    180.120   27.870    198.533   35.631    36.415  2.8809  38.113  3.5304  -1.698708      4.556655 
1 1 1 -10 -23 15 f 18.594  2.8039  46.433    14.194    19.530    18.716    82.849    21.776    12.685  4.4518  24.504  3.4102  -11.81921      5.607892 
1 1 1 -10 -23 16 o 77.288  2.9703  807.172   61.491    807.172   61.491    0.0000    0.0000    77.288  2.9703  ?       ?       ?              ?        
1 1 1 -10 -23 17 o 55.932  2.7515  422.277   41.221    422.277   41.221    0.0000    0.0000    55.932  2.7515  ?       ?       ?              ?        
1 1 1 -10 -23 18 o 66.839  2.8641  603.599   51.275    603.599   51.275    0.0000    0.0000    66.839  2.8641  ?       ?       ?              ?        
1 1 1 -10 -23 19 o 54.130  2.7789  396.814   40.154    396.814   40.154    0.0000    0.0000    54.130  2.7789  ?       ?       ?              ?        
1 1 1 -10 -23 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -23 21 o 48.928  4.7262  332.093   61.168    0.0000    0.0000    332.093   61.168    ?       ?       48.928  4.7262  ?              ?        
1 1 1 -10 -23 22 o 48.529  2.8383  319.685   36.733    0.0000    0.0000    319.685   36.733    ?       ?       48.529  2.8383  ?              ?        
1 1 1 -10 -23 23 o 47.389  2.8193  304.981   35.625    0.0000    0.0000    304.981   35.625    ?       ?       47.389  2.8193  ?              ?        
1 1 1 -10 -23 24 o 60.499  2.8170  495.648   45.648    0.0000    0.0000    495.648   45.648    ?       ?       60.499  2.8170  ?              ?        
1 1 1 -10 -23 25 o 34.400  2.9956  161.765   27.326    0.0000    0.0000    161.765   27.326    ?       ?       34.400  2.9956  ?              ?        
1 1 1 -10 -23 26 o 9.8106  4.0734  3.7036    17.608    0.0000    0.0000    3.7036    17.608    ?       ?       9.8106  4.0734  ?              ?        
1 1 1 -10 -23 27 o 54.723  2.8579  407.722   41.744    0.0000    0.0000    407.722   41.744    ?       ?       54.723  2.8579  ?              ?        
1 1 1 -10 -23 28 o 53.567  2.8971  391.371   41.413    0.0000    0.0000    391.371   41.413    ?       ?       53.567  2.8971  ?              ?        
1 1 1 -10 -23 29 o 42.981  2.8886  252.679   33.062    0.0000    0.0000    252.679   33.062    ?       ?       42.981  2.8886  ?              ?        
1 1 1 -10 -23 30 o 21.880  3.0431  68.566    17.181    76.119    25.073    61.881    23.589    23.064  4.2139  20.695  4.3916  2.369242       6.086265 
1 1 1 -10 -23 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -23 32 o 20.949  3.2420  65.513    17.922    86.122    25.117    44.136    25.581    24.563  3.9517  17.335  5.1406  7.228125       6.483915 
1 1 1 -10 -23 33 o 41.032  2.2459  233.706   24.483    236.889   35.181    230.716   34.093    41.291  3.2062  40.774  3.1460  0.5173035      4.491898 
1 1 1 -10 -23 34 o 16.960  3.4350  43.025    16.979    29.053    24.674    55.593    23.401    14.596  5.1121  19.323  4.5896  -4.726131      6.870077 
1 1 1 -10 -23 35 o 12.234  3.3175  14.815    15.872    26.316    22.286    2.9769    22.610    13.874  4.8585  10.594  4.5186  3.280261       6.634959 
1 1 1 -10 -23 36 o 51.313  2.2670  370.325   30.955    350.045   43.915    390.353   43.641    49.833  3.3089  52.793  3.0998  -2.960136      4.534081 
1 1 1 -10 -23 37 o 25.958  2.9881  100.262   19.971    88.933    28.166    111.715   28.320    24.292  4.4944  27.625  3.9390  -3.332243      5.976207 
1 1 1 -10 -23 38 o 42.505  2.4470  259.287   27.595    252.202   39.365    266.133   38.694    41.863  3.5439  43.147  3.3750  -1.284332      4.893917 
1 1 1 -10 -23 39 o 18.702  3.6473  56.062    18.919    61.530    26.945    50.744    26.572    19.627  5.0845  17.777  5.2305  1.849916       7.294559 
1 1 1 -10 -23 40 o 14.058  3.7349  27.817    19.072    28.664    26.279    26.875    27.721    14.132  5.2324  13.983  5.3312  0.1486645      7.469892 
1 1 1 -10 -23 41 o 29.720  3.2356  136.684   24.553    165.821   35.412    109.707   34.074    33.228  4.0635  26.212  5.0363  7.016624       6.471140 
1 1 1 -10 -23 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -23 43 o 21.649  4.0426  82.962    23.872    90.554    33.779    75.387    33.740    22.822  5.5739  20.475  5.8568  2.347343       8.085213 
1 1 1 -10 -23 44 o 24.524  3.7633  106.719   24.338    136.794   34.392    76.547    34.448    28.953  4.5878  20.094  5.9668  8.858633       7.526643 
1 1 1 -10 -22 1  f 68.475  2.0728  633.775   38.007    621.511   54.007    645.808   53.497    67.809  2.9735  69.140  2.8888  -1.330597      4.145676 
1 1 1 -10 -22 2  o 15.861  2.5921  35.767    11.050    22.921    15.594    48.719    15.659    13.007  4.0460  18.715  3.2412  -5.707779      5.184167 
1 1 1 -10 -22 3  o 60.124  1.9909  487.984   32.049    475.673   45.540    500.065   45.111    59.364  2.8640  60.883  2.7663  -1.518959      3.981824 
1 1 1 -10 -22 4  o 83.625  2.2239  944.881   49.808    961.746   70.892    928.441   69.993    84.363  3.1373  82.886  3.1527  1.477287       4.447739 
1 1 1 -10 -22 5  o 84.214  2.2217  958.705   50.075    923.151   71.204    993.496   70.436    82.651  3.2164  85.777  3.0657  -3.126480      4.443397 
1 1 1 -10 -22 6  o 18.426  2.5919  47.460    12.336    52.110    17.840    43.199    17.077    19.322  3.5787  17.530  3.7503  1.792326       5.183851 
1 1 1 -10 -22 7  o 59.484  1.9756  476.906   31.463    495.187   44.687    458.935   44.307    60.621  2.7522  58.348  2.8350  2.272053       3.951178 
1 1 1 -10 -22 8  o 65.662  2.0232  581.164   35.581    587.063   50.316    575.265   50.321    65.997  2.8464  65.326  2.8759  0.6708755      4.046302 
1 1 1 -10 -22 9  o 80.660  2.1764  877.858   47.002    847.711   66.352    908.222   66.590    79.261  3.1254  82.060  3.0296  -2.798729      4.352792 
1 1 1 -10 -22 10 o 71.792  2.0800  694.778   39.995    692.928   56.302    696.663   56.824    71.697  2.9318  71.887  2.9512  -0.1898956     4.159926 
1 1 1 -10 -22 11 o 62.394  1.9896  524.385   33.246    518.760   46.537    530.249   47.513    62.054  2.7998  62.734  2.8276  -0.6797600     3.979244 
1 1 1 -10 -22 12 o 82.511  2.1939  918.272   48.483    908.262   68.091    928.566   69.050    82.056  3.0981  82.967  3.1072  -0.9103546     4.387807 
1 1 1 -10 -22 13 o 29.751  2.3719  118.102   18.322    103.321   23.683    140.135   28.915    27.473  3.2835  32.028  3.4236  -4.555258      4.743703 
1 1 1 -10 -22 14 f 67.969  2.3559  609.631   41.152    572.554   50.909    679.539   69.905    65.172  2.9164  70.767  3.7008  -5.594574      4.711829 
1 1 1 -10 -22 15 f 125.168 3.8084  2122.13   127.679   2122.13   127.679   0.0000    0.0000    125.168 3.8084  ?       ?       ?              ?        
1 1 1 -10 -22 16 o 90.955  3.1740  1116.96   77.324    1116.96   77.324    0.0000    0.0000    90.955  3.1740  ?       ?       ?              ?        
1 1 1 -10 -22 17 o 44.307  2.7375  265.552   32.328    265.552   32.328    0.0000    0.0000    44.307  2.7375  ?       ?       ?              ?        
1 1 1 -10 -22 18 o 78.724  2.9741  836.430   62.712    836.430   62.712    0.0000    0.0000    78.724  2.9741  ?       ?       ?              ?        
1 1 1 -10 -22 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -22 20 o 96.923  5.0550  1292.52   130.777   0.0000    0.0000    1292.52   130.777   ?       ?       96.923  5.0550  ?              ?        
1 1 1 -10 -22 21 o 31.125  3.1425  132.344   25.839    0.0000    0.0000    132.344   25.839    ?       ?       31.125  3.1425  ?              ?        
1 1 1 -10 -22 22 o 118.639 3.7866  1914.50   120.326   0.0000    0.0000    1914.50   120.326   ?       ?       118.639 3.7866  ?              ?        
1 1 1 -10 -22 23 o 53.792  2.7825  392.023   39.953    0.0000    0.0000    392.023   39.953    ?       ?       53.792  2.7825  ?              ?        
1 1 1 -10 -22 24 o 32.792  2.9734  146.732   25.832    0.0000    0.0000    146.732   25.832    ?       ?       32.792  2.9734  ?              ?        
1 1 1 -10 -22 25 o 22.519  3.5712  70.656    20.822    0.0000    0.0000    70.656    20.822    ?       ?       22.519  3.5712  ?              ?        
1 1 1 -10 -22 26 o 91.896  3.2860  1147.98   80.882    0.0000    0.0000    1147.98   80.882    ?       ?       91.896  3.2860  ?              ?        
1 1 1 -10 -22 27 o 39.812  2.8463  215.890   30.152    0.0000    0.0000    215.890   30.152    ?       ?       39.812  2.8463  ?              ?        
1 1 1 -10 -22 28 o 52.280  2.8865  372.039   40.264    0.0000    0.0000    372.039   40.264    ?       ?       52.280  2.8865  ?              ?        
1 1 1 -10 -22 29 o 46.279  2.0996  294.135   25.715    263.645   37.006    322.605   35.760    43.876  3.1702  48.683  2.7537  -4.807022      4.199181 
1 1 1 -10 -22 30 o 23.236  2.7749  76.157    16.638    81.793    24.060    70.992    23.033    24.096  3.8581  22.376  3.9893  1.719284       5.549727 
1 1 1 -10 -22 31 o 52.288  2.0961  374.735   29.184    356.796   41.749    391.879   40.813    51.018  3.0694  53.557  2.8554  -2.539097      4.192169 
1 1 1 -10 -22 32 o 23.283  3.8498  87.256    21.576    61.403    43.223    95.836    24.900    20.458  6.7732  26.107  3.6614  -5.649565      7.699530 
1 1 1 -10 -22 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -22 34 o 11.675  3.2160  12.238    14.793    20.270    21.026    4.3656    20.817    12.861  4.6936  10.489  4.3979  2.371285       6.432092 
1 1 1 -10 -22 35 f 40.715  2.3237  231.374   25.102    245.077   35.983    218.383   35.035    41.924  3.2293  39.507  3.3422  2.417255       4.647465 
1 1 1 -10 -22 36 o 17.623  3.3263  45.413    17.302    71.381    25.023    21.626    23.950    21.946  4.4100  13.299  4.9810  8.646704       6.652691 
1 1 1 -10 -22 37 o 9.5611  3.0005  -4.1662   15.282    -3.6706   20.724    -4.7568   22.624    9.4060  4.1628  9.7162  4.3224  -0.3102131     6.001026 
1 1 1 -10 -22 38 o 17.533  3.6707  47.792    18.531    41.480    25.604    54.737    26.856    16.403  5.1963  18.663  5.1861  -2.259668      7.341496 
1 1 1 -10 -22 39 o 27.445  2.9808  112.685   21.141    103.080   29.897    122.290   29.898    26.109  4.4338  28.780  3.9853  -2.671843      5.961644 
1 1 1 -10 -22 40 o 17.095  3.3050  40.696    18.911    2.6870    25.992    83.446    27.565    10.942  4.7569  23.249  4.5895  -12.30711      6.609977 
1 1 1 -10 -22 41 o 16.373  3.9404  43.241    20.700    45.570    28.065    40.462    30.656    16.754  5.4535  15.993  5.6890  0.7610893      7.880731 
1 1 1 -10 -22 42 o 11.865  3.5279  11.283    18.959    12.392    25.326    9.8682    28.594    11.782  4.8881  11.947  5.0883  -0.1650543     7.055815 
1 1 1 -10 -22 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -22 44 o 12.327  3.6028  13.360    20.147    -3.5150   27.494    32.930    29.608    10.278  4.6520  14.376  5.5028  -4.098575      7.205664 
1 1 1 -10 -22 45 o 9.9862  3.1994  -10.6702  19.579    -35.8331  27.400    15.581    27.987    8.0520  3.9245  11.921  5.0539  -3.868551      6.398718 
1 1 1 -10 -21 1  o 76.927  2.1427  798.844   44.141    787.946   62.728    809.533   62.127    76.400  3.0653  77.454  2.9947  -1.053467      4.285358 
1 1 1 -10 -21 2  o 45.964  1.8941  285.560   23.213    279.532   32.881    291.549   32.776    45.474  2.7119  46.455  2.6451  -0.9808006     3.788252 
1 1 1 -10 -21 3  o 82.070  2.2029  909.464   48.372    867.346   68.758    950.735   68.064    80.170  3.2020  83.970  3.0263  -3.799477      4.405798 
1 1 1 -10 -21 4  o 46.368  1.9142  290.482   23.659    286.798   33.854    293.999   33.076    46.072  2.7560  46.663  2.6574  -0.5910416     3.828459 
1 1 1 -10 -21 5  o 53.739  1.9254  389.214   27.650    404.375   39.246    374.273   38.960    54.819  2.6728  52.658  2.7720  2.161007       3.850750 
1 1 1 -10 -21 6  o 38.348  1.9087  198.993   19.456    209.458   27.473    188.464   27.557    39.376  2.6198  37.320  2.7767  2.055428       3.817477 
1 1 1 -10 -21 7  o 21.745  2.3854  65.236    13.443    65.719    19.112    64.764    18.912    21.826  3.3785  21.665  3.3684  0.1604919      4.770772 
1 1 1 -10 -21 8  o 80.697  4.1323  883.111   89.018    883.111   89.018    0.0000    0.0000    80.697  4.1323  ?       ?       ?              ?        
1 1 1 -10 -21 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -21 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -21 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -21 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -21 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -21 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -21 15 o 83.419  3.0368  937.049   67.852    937.049   67.852    0.0000    0.0000    83.419  3.0368  ?       ?       ?              ?        
1 1 1 -10 -21 16 o 51.239  2.6966  354.147   36.878    354.147   36.878    0.0000    0.0000    51.239  2.6966  ?       ?       ?              ?        
1 1 1 -10 -21 17 o 87.503  3.1003  1031.78   72.663    1031.78   72.663    0.0000    0.0000    87.503  3.1003  ?       ?       ?              ?        
1 1 1 -10 -21 18 o 99.309  4.8622  1342.06   129.334   1342.06   129.334   0.0000    0.0000    99.309  4.8622  ?       ?       ?              ?        
1 1 1 -10 -21 19 o 10.812  4.9842  -25.4058  33.501    0.0000    0.0000    -25.4058  33.501    ?       ?       10.812  4.9842  ?              ?        
1 1 1 -10 -21 20 o 60.955  2.8355  500.688   46.294    0.0000    0.0000    500.688   46.294    ?       ?       60.955  2.8355  ?              ?        
1 1 1 -10 -21 21 o 48.857  2.7332  322.650   35.623    0.0000    0.0000    322.650   35.623    ?       ?       48.857  2.7332  ?              ?        
1 1 1 -10 -21 22 o 57.742  2.7550  449.561   42.609    0.0000    0.0000    449.561   42.609    ?       ?       57.742  2.7550  ?              ?        
1 1 1 -10 -21 23 o 32.505  2.9368  143.817   25.293    0.0000    0.0000    143.817   25.293    ?       ?       32.505  2.9368  ?              ?        
1 1 1 -10 -21 24 o 44.969  2.7419  273.956   32.868    0.0000    0.0000    273.956   32.868    ?       ?       44.969  2.7419  ?              ?        
1 1 1 -10 -21 25 o 52.624  2.7541  375.076   38.684    0.0000    0.0000    375.076   38.684    ?       ?       52.624  2.7541  ?              ?        
1 1 1 -10 -21 26 o 15.934  4.1620  35.995    17.957    0.0000    0.0000    35.995    17.957    ?       ?       15.934  4.1620  ?              ?        
1 1 1 -10 -21 27 o 46.824  2.3915  291.086   27.855    323.505   50.101    276.581   33.512    48.518  3.8879  45.129  2.7860  3.388626       4.783063 
1 1 1 -10 -21 28 o 80.280  2.2280  875.458   47.893    870.464   68.459    880.245   67.026    80.041  3.1932  80.520  3.1078  -0.4789200     4.455913 
1 1 1 -10 -21 29 o 26.309  2.4836  95.608    16.938    111.326   24.800    81.865    23.190    28.407  3.3221  24.212  3.6928  4.195532       4.967202 
1 1 1 -10 -21 30 o 59.977  2.0967  490.028   33.583    470.784   47.920    508.602   47.078    58.753  3.0556  61.201  2.8719  -2.447784      4.193428 
1 1 1 -10 -21 31 o 21.260  3.0000  64.477    16.479    70.397    23.741    58.973    22.891    22.249  4.1362  20.271  4.3465  1.978069       6.000024 
1 1 1 -10 -21 32 o 64.172  2.1354  561.695   36.695    575.682   52.516    548.349   51.296    64.953  3.0186  63.391  3.0211  1.561668       4.270729 
1 1 1 -10 -21 33 o 14.333  3.1527  25.050    15.185    48.012    21.745    3.1956    21.213    18.166  4.4938  10.500  4.4230  7.665300       6.305367 
1 1 1 -10 -21 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -21 35 o 13.453  3.4140  20.683    16.659    5.0621    23.819    35.641    23.307    11.183  4.6974  15.723  4.9554  -4.539415      6.828004 
1 1 1 -10 -21 36 o 17.159  3.2514  41.881    17.398    11.552    24.535    72.559    24.676    12.053  4.8840  22.265  4.2934  -10.21174      6.502828 
1 1 1 -10 -21 37 o 50.266  2.3165  353.789   30.989    374.450   44.304    333.998   43.361    51.750  3.2121  48.783  3.3386  2.967697       4.632919 
1 1 1 -10 -21 38 o 54.261  2.3490  415.677   33.865    454.263   48.113    377.792   47.674    56.889  3.1701  51.633  3.4672  5.255352       4.698018 
1 1 1 -10 -21 39 o 19.205  3.6112  58.047    19.449    74.918    27.519    41.212    27.490    22.055  4.7951  16.354  5.4010  5.701073       7.222454 
1 1 1 -10 -21 40 o 43.066  2.5647  268.325   29.301    261.994   41.415    274.670   41.460    42.514  3.6730  43.618  3.5804  -1.103336      5.129352 
1 1 1 -10 -21 41 o 28.008  3.2765  121.411   23.346    94.619    32.691    149.294   33.350    24.339  5.1741  31.677  4.0212  -7.338549      6.552940 
1 1 1 -10 -21 42 o 8.4546  2.7998  -17.3998  15.982    -11.1719  21.537    -25.0334  23.844    8.7089  4.0080  8.2002  3.9103  0.5086899      5.599514 
1 1 1 -10 -21 43 o 18.580  3.9560  58.875    21.964    73.357    30.523    43.327    31.628    20.939  5.4054  16.221  5.7777  4.718044       7.912004 
1 1 1 -10 -21 44 o 15.729  7.1185  25.073    64.353    25.073    64.353    0.0000    0.0000    15.729  7.1185  ?       ?       ?              ?        
1 1 1 -10 -21 45 o 20.076  4.0485  73.997    23.234    86.755    32.521    60.698    33.205    22.135  5.5076  18.018  5.9352  4.116901       8.096969 
1 1 1 -10 -20 1  o 26.432  2.0453  95.202    14.238    97.066    20.025    93.296    20.247    26.704  2.8434  26.160  2.9406  0.5445175      4.090513 
1 1 1 -10 -20 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -20 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -20 4  f 72.520  4.0488  712.414   78.331    0.0000    0.0000    712.414   78.331    ?       ?       72.520  4.0488  ?              ?        
1 1 1 -10 -20 5  o 95.033  2.3330  1215.79   59.379    1240.71   84.398    1191.36   83.558    96.000  3.2823  94.066  3.3164  1.933922       4.665995 
1 1 1 -10 -20 6  o 16.330  2.5960  37.538    11.059    34.844    16.320    39.825    15.038    15.765  3.8890  16.895  3.4400  -1.130283      5.192072 
1 1 1 -10 -20 7  o 94.730  2.2917  1207.41   58.136    1242.66   82.541    1172.70   81.895    96.107  3.2065  93.353  3.2752  2.753716       4.583499 
1 1 1 -10 -20 8  o 147.694 3.0938  2945.60   122.376   3006.10   173.452   2885.64   172.682   149.214 4.3399  146.175 4.4105  3.039520       6.187664 
1 1 1 -10 -20 9  o 79.529  2.1382  850.399   45.545    858.430   64.224    842.275   64.597    79.909  3.0006  79.149  3.0470  0.7601776      4.276472 
1 1 1 -10 -20 10 o 51.217  1.9313  353.698   26.373    375.689   36.981    330.939   37.622    52.889  2.6105  49.545  2.8469  3.344086       3.862597 
1 1 1 -10 -20 11 o 66.911  2.0131  602.348   36.034    624.503   50.386    579.155   51.553    68.179  2.7591  65.643  2.9321  2.535469       4.026141 
1 1 1 -10 -20 12 o 152.624 3.7726  3116.48   146.437   3031.25   179.617   3285.42   252.880   149.819 4.4760  155.430 6.0742  -5.611237      7.545260 
1 1 1 -10 -20 13 o 130.641 3.8751  2300.26   135.597   2300.26   135.597   0.0000    0.0000    130.641 3.8751  ?       ?       ?              ?        
1 1 1 -10 -20 14 o 48.568  2.6464  317.804   34.298    317.804   34.298    0.0000    0.0000    48.568  2.6464  ?       ?       ?              ?        
1 1 1 -10 -20 15 o 69.489  2.7969  648.960   52.057    648.960   52.057    0.0000    0.0000    69.489  2.7969  ?       ?       ?              ?        
1 1 1 -10 -20 16 o 115.238 3.6325  1789.46   112.123   1789.46   112.123   0.0000    0.0000    115.238 3.6325  ?       ?       ?              ?        
1 1 1 -10 -20 17 o 72.605  4.2745  714.713   82.760    714.713   82.760    0.0000    0.0000    72.605  4.2745  ?       ?       ?              ?        
1 1 1 -10 -20 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -20 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -20 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -20 21 o 99.087  3.3763  1324.68   89.608    0.0000    0.0000    1324.68   89.608    ?       ?       99.087  3.3763  ?              ?        
1 1 1 -10 -20 22 f 101.388 3.4248  1388.26   93.005    0.0000    0.0000    1388.26   93.005    ?       ?       101.388 3.4248  ?              ?        
1 1 1 -10 -20 23 o 22.263  3.4666  68.553    19.999    0.0000    0.0000    68.553    19.999    ?       ?       22.263  3.4666  ?              ?        
1 1 1 -10 -20 24 o 84.774  3.0897  970.483   70.158    0.0000    0.0000    970.483   70.158    ?       ?       84.774  3.0897  ?              ?        
1 1 1 -10 -20 25 o 49.727  2.7028  334.459   35.864    0.0000    0.0000    334.459   35.864    ?       ?       49.727  2.7028  ?              ?        
1 1 1 -10 -20 26 o 20.473  3.6465  58.569    19.263    0.0000    0.0000    58.569    19.263    ?       ?       20.473  3.6465  ?              ?        
1 1 1 -10 -20 27 o 79.858  2.1772  864.121   46.536    841.545   66.485    885.805   65.160    78.814  3.1494  80.901  3.0070  -2.087021      4.354417 
1 1 1 -10 -20 28 o 40.914  2.0739  227.262   22.519    250.135   32.623    206.443   31.123    42.902  2.8552  38.925  3.0085  3.977390       4.147710 
1 1 1 -10 -20 29 o 14.595  2.7335  24.860    13.722    57.650    19.566    -6.8766   19.249    20.246  3.7459  8.9431  3.9821  11.30328       5.467079 
1 1 1 -10 -20 30 o 63.592  2.1034  548.604   35.819    558.398   51.307    539.292   50.028    64.142  2.9864  63.042  2.9627  1.100304       4.206709 
1 1 1 -10 -20 31 o 34.914  2.2155  166.960   20.486    174.568   29.557    159.926   28.418    35.687  3.1236  34.142  3.1429  1.545807       4.431098 
1 1 1 -10 -20 32 o 60.558  2.1401  500.246   34.631    488.283   49.369    511.834   48.590    59.784  3.0936  61.331  2.9579  -1.547184      4.280135 
1 1 1 -10 -20 33 o 27.243  2.6750  104.085   18.981    108.126   26.923    100.091   26.765    27.801  3.7080  26.685  3.8565  1.116249       5.349976 
1 1 1 -10 -20 34 o 42.445  2.2391  248.803   25.195    236.334   36.396    260.277   34.914    41.361  3.3131  43.530  3.0130  -2.169132      4.478271 
1 1 1 -10 -20 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -20 36 o 89.133  2.4667  1104.09   58.840    1055.57   83.339    1152.31   83.085    87.102  3.5722  91.164  3.4026  -4.062401      4.933375 
1 1 1 -10 -20 37 o 71.728  2.3526  715.780   45.196    725.975   63.978    705.624   63.857    72.255  3.3057  71.201  3.3484  1.053986       4.705258 
1 1 1 -10 -20 38 o 45.289  2.4268  289.148   29.219    290.704   41.336    287.593   41.307    45.417  3.4232  45.161  3.4407  0.2563934      4.853511 
1 1 1 -10 -20 39 o 11.330  3.1934  6.4160    15.834    -11.4946  21.923    25.945    22.892    8.9128  4.0803  13.748  4.9134  -4.834965      6.386792 
1 1 1 -10 -20 40 o 21.630  3.5011  73.072    19.905    63.794    28.061    82.469    28.240    20.078  5.1826  23.182  4.7087  -3.104078      7.002244 
1 1 1 -10 -20 41 o 27.257  3.3439  115.864   23.084    147.841   32.793    84.453    32.501    31.635  3.9566  22.880  5.3918  8.755184       6.687738 
1 1 1 -10 -20 42 o 26.260  3.4271  110.132   22.868    145.848   32.388    74.626    32.293    31.322  3.9482  21.198  5.6028  10.12431       6.854184 
1 1 1 -10 -20 43 o 15.842  3.8844  39.870    20.562    49.978    28.615    29.077    29.567    17.367  5.4925  14.316  5.4944  3.051448       7.768874 
1 1 1 -10 -20 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -20 45 o 10.930  3.4091  1.2670    20.184    14.408    26.833    -15.8596  30.632    11.951  5.0007  9.9091  4.6349  2.041447       6.818298 
1 1 1 -10 -20 46 o 10.256  3.2959  -7.6310   19.827    -22.9504  26.051    13.461    30.567    8.5139  4.0675  11.998  5.1873  -3.483576      6.591799 
1 1 1 -10 -19 1  o 82.979  2.1951  926.519   48.776    909.290   69.297    943.436   68.666    82.210  3.1471  83.749  3.0611  -1.539757      4.390238 
1 1 1 -10 -19 2  o 64.587  1.9935  560.588   34.484    558.511   48.968    562.632   48.571    64.467  2.8359  64.707  2.8024  -0.2400284     3.986982 
1 1 1 -10 -19 3  o 81.458  2.1577  892.009   47.073    884.998   66.773    898.936   66.372    81.137  3.0725  81.778  3.0301  -0.6406631     4.315305 
1 1 1 -10 -19 4  o 31.880  2.0108  137.577   16.988    140.497   24.208    134.743   23.846    32.217  2.8342  31.543  2.8533  0.6742115      4.021670 
1 1 1 -10 -19 5  o 30.841  2.0426  128.892   16.664    134.698   23.664    123.181   23.470    31.543  2.8311  30.139  2.9450  1.404184       4.085125 
1 1 1 -10 -19 6  o 90.677  2.2474  1105.10   54.560    1147.14   77.413    1063.60   76.909    92.395  3.1280  88.958  3.2278  3.437393       4.494785 
1 1 1 -10 -19 7  o 72.652  2.0721  708.955   40.314    689.212   56.865    728.904   57.160    71.633  2.9638  73.672  2.8967  -2.038574      4.144246 
1 1 1 -10 -19 8  o 68.697  2.0269  633.625   37.285    612.956   52.403    654.817   53.060    67.561  2.8958  69.834  2.8367  -2.272728      4.053728 
1 1 1 -10 -19 9  o 39.660  1.9486  211.750   20.500    189.195   28.346    236.484   29.684    37.430  2.8487  41.890  2.6593  -4.460552      3.897108 
1 1 1 -10 -19 10 o 14.652  3.0167  29.452    12.553    29.627    18.053    29.288    17.466    14.705  4.3070  14.599  4.2252  0.1065454      6.033427 
1 1 1 -10 -19 11 o 65.316  2.3802  585.863   39.172    611.528   48.639    538.490   66.083    67.497  2.6904  63.136  3.9272  4.360512       4.760336 
1 1 1 -10 -19 12 o 85.663  3.0122  985.599   69.113    985.599   69.113    0.0000    0.0000    85.663  3.0122  ?       ?       ?              ?        
1 1 1 -10 -19 13 o 163.466 4.6363  3603.62   202.998   3603.62   202.998   0.0000    0.0000    163.466 4.6363  ?       ?       ?              ?        
1 1 1 -10 -19 14 o 205.119 5.6388  5694.53   309.798   5694.53   309.798   0.0000    0.0000    205.119 5.6388  ?       ?       ?              ?        
1 1 1 -10 -19 15 o 78.476  2.8954  827.153   60.860    827.153   60.860    0.0000    0.0000    78.476  2.8954  ?       ?       ?              ?        
1 1 1 -10 -19 16 o 63.905  2.7291  548.401   46.713    548.401   46.713    0.0000    0.0000    63.905  2.7291  ?       ?       ?              ?        
1 1 1 -10 -19 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -19 18 o 69.842  4.4132  660.963   82.132    0.0000    0.0000    660.963   82.132    ?       ?       69.842  4.4132  ?              ?        
1 1 1 -10 -19 19 o 43.659  2.7074  257.063   31.505    0.0000    0.0000    257.063   31.505    ?       ?       43.659  2.7074  ?              ?        
1 1 1 -10 -19 20 o 35.423  2.8602  169.777   26.906    0.0000    0.0000    169.777   26.906    ?       ?       35.423  2.8602  ?              ?        
1 1 1 -10 -19 21 o 67.750  3.7769  621.100   68.265    0.0000    0.0000    621.100   68.265    ?       ?       67.750  3.7769  ?              ?        
1 1 1 -10 -19 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -19 23 o 35.806  2.8271  173.624   26.893    0.0000    0.0000    173.624   26.893    ?       ?       35.806  2.8271  ?              ?        
1 1 1 -10 -19 24 o 40.214  2.7472  218.724   29.414    0.0000    0.0000    218.724   29.414    ?       ?       40.214  2.7472  ?              ?        
1 1 1 -10 -19 25 f 94.991  3.2619  1218.65   82.993    0.0000    0.0000    1218.65   82.993    ?       ?       94.991  3.2619  ?              ?        
1 1 1 -10 -19 26 o 78.421  2.1474  829.537   45.080    866.708   64.892    794.864   62.673    80.120  3.0239  76.722  3.0498  3.397865       4.294764 
1 1 1 -10 -19 27 o 22.599  2.6005  70.697    15.118    82.654    22.152    60.272    20.684    24.459  3.4793  20.738  3.8658  3.720798       5.200988 
1 1 1 -10 -19 28 o 12.428  3.0485  17.072    13.114    29.401    18.801    5.3873    18.302    14.600  4.4247  10.257  4.1947  4.342932       6.096982 
1 1 1 -10 -19 29 o 35.716  2.1916  175.617   20.548    153.622   29.661    195.916   28.494    33.475  3.3532  37.958  2.8228  -4.483330      4.383115 
1 1 1 -10 -19 30 o 38.905  2.1166  206.648   21.850    199.113   31.398    213.725   30.426    38.188  3.0963  39.622  2.8868  -1.433151      4.233273 
1 1 1 -10 -19 31 o 50.006  2.1244  340.802   28.297    333.906   40.621    347.302   39.440    49.492  3.0796  50.521  2.9272  -1.028942      4.248777 
1 1 1 -10 -19 32 o 43.874  2.1681  262.903   25.308    266.043   36.416    259.969   35.196    44.119  3.1013  43.630  3.0306  0.4891701      4.336192 
1 1 1 -10 -19 33 o 48.397  2.1924  320.329   28.261    324.779   40.631    316.159   39.334    48.714  3.1306  48.080  3.0703  0.6334496      4.384889 
1 1 1 -10 -19 34 o 73.851  2.2843  746.373   45.172    736.225   64.331    756.243   63.444    73.334  3.2752  74.368  3.1851  -1.034187      4.568508 
1 1 1 -10 -19 35 o 36.665  2.4254  186.479   23.535    187.533   33.738    185.480   32.847    36.752  3.4683  36.577  3.3912  0.1749687      4.850713 
1 1 1 -10 -19 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -19 37 o 20.309  3.4009  61.638    18.409    75.280    26.045    48.020    26.023    22.680  4.4463  17.938  5.1473  4.742552       6.801783 
1 1 1 -10 -19 38 o 14.444  3.0617  21.538    16.487    58.856    23.447    -14.9626  23.188    19.892  4.5051  8.9964  4.1471  10.89594       6.123300 
1 1 1 -10 -19 39 o 38.020  2.5510  205.763   25.657    211.514   36.289    200.015   36.280    38.590  3.5507  37.451  3.6637  1.139305       5.101985 
1 1 1 -10 -19 40 o 18.058  3.6089  51.752    19.077    66.902    25.704    33.175    28.464    20.906  4.7041  15.211  5.4743  5.695183       7.217829 
1 1 1 -10 -19 41 o 19.094  3.7448  58.521    19.880    62.738    27.424    53.851    28.862    19.889  5.1180  18.298  5.4681  1.591757       7.489581 
1 1 1 -10 -19 42 o 17.340  3.9394  48.102    20.793    40.094    28.041    57.883    30.991    15.971  5.4568  18.709  5.6833  -2.737593      7.878894 
1 1 1 -10 -19 43 o 15.892  3.8122  39.962    19.507    32.971    27.272    47.286    27.915    14.775  5.3526  17.008  5.4298  -2.233443      7.624451 
1 1 1 -10 -19 44 o 32.704  3.1225  164.383   26.247    134.806   36.363    196.550   37.923    29.216  4.8146  36.193  3.9775  -6.977539      6.245080 
1 1 1 -10 -19 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -19 46 o 9.9493  3.1910  -6.6095   19.027    7.2565    25.731    -23.3386  28.263    10.937  4.7439  8.9617  4.2689  1.975298       6.381918 
1 1 1 -10 -18 1  o 91.777  2.2958  1132.11   56.434    1133.72   80.188    1130.54   79.436    91.840  3.2598  91.714  3.2337  0.1262054      4.591602 
1 1 1 -10 -18 2  o 116.385 2.5932  1821.78   80.827    1863.44   114.756   1780.76   113.864   117.709 3.6398  115.060 3.6946  2.648422       5.186368 
1 1 1 -10 -18 3  o 99.645  2.3699  1334.14   63.250    1345.02   89.867    1323.46   89.037    100.047 3.3535  99.242  3.3495  0.8049088      4.739792 
1 1 1 -10 -18 4  o 72.836  2.0524  712.277   40.035    701.773   56.791    722.655   56.448    72.301  2.9326  73.372  2.8723  -1.071404      4.104882 
1 1 1 -10 -18 5  o 113.526 2.5332  1731.88   77.021    1767.39   109.366   1696.95   108.489   114.683 3.5604  112.370 3.6045  2.313263       5.066432 
1 1 1 -10 -18 6  o 166.622 3.3618  3740.45   149.963   3882.77   212.553   3599.39   211.609   169.795 4.6736  163.449 4.8335  6.345322       6.723512 
1 1 1 -10 -18 7  o 122.410 2.6976  2014.45   88.411    2085.97   125.213   1943.33   124.850   124.584 3.7523  120.235 3.8768  4.349182       5.395287 
1 1 1 -10 -18 8  o 39.356  1.9490  209.159   20.382    217.253   28.427    200.596   29.238    40.154  2.6581  38.559  2.8512  1.595737       3.898081 
1 1 1 -10 -18 9  o 78.883  2.0955  835.252   44.265    842.758   62.102    827.500   63.110    79.245  2.9258  78.521  3.0007  0.7248154      4.191005 
1 1 1 -10 -18 10 o 57.650  2.2447  436.781   33.197    412.379   41.034    483.011   56.479    55.440  2.7633  59.861  3.5382  -4.421509      4.489448 
1 1 1 -10 -18 11 o 78.208  2.5261  837.551   49.537    867.838   61.025    779.038   84.822    80.421  2.8330  75.995  4.1832  4.426025       5.052255 
1 1 1 -10 -18 12 o 147.368 4.2683  2921.45   168.479   2921.45   168.479   0.0000    0.0000    147.368 4.2683  ?       ?       ?              ?        
1 1 1 -10 -18 13 o 256.898 6.9191  8944.17   476.097   8944.17   476.097   0.0000    0.0000    256.898 6.9191  ?       ?       ?              ?        
1 1 1 -10 -18 14 f 73.209  2.8034  719.221   54.972    719.221   54.972    0.0000    0.0000    73.209  2.8034  ?       ?       ?              ?        
1 1 1 -10 -18 15 o 51.916  2.6323  362.562   36.485    362.562   36.485    0.0000    0.0000    51.916  2.6323  ?       ?       ?              ?        
1 1 1 -10 -18 16 o 18.416  5.3617  46.658    28.052    46.658    28.052    0.0000    0.0000    18.416  5.3617  ?       ?       ?              ?        
1 1 1 -10 -18 17 o 15.863  5.9238  25.744    33.825    0.0000    0.0000    25.744    33.825    ?       ?       15.863  5.9238  ?              ?        
1 1 1 -10 -18 18 o 121.392 3.7763  1982.52   122.787   0.0000    0.0000    1982.52   122.787   ?       ?       121.392 3.7763  ?              ?        
1 1 1 -10 -18 19 o 45.319  2.6662  276.678   32.221    0.0000    0.0000    276.678   32.221    ?       ?       45.319  2.6662  ?              ?        
1 1 1 -10 -18 20 o 52.936  2.6931  377.271   38.060    0.0000    0.0000    377.271   38.060    ?       ?       52.936  2.6931  ?              ?        
1 1 1 -10 -18 21 o 99.536  3.2754  1332.68   87.326    0.0000    0.0000    1332.68   87.326    ?       ?       99.536  3.2754  ?              ?        
1 1 1 -10 -18 22 o 102.620 3.3517  1417.50   92.127    0.0000    0.0000    1417.50   92.127    ?       ?       102.620 3.3517  ?              ?        
1 1 1 -10 -18 23 o 67.259  2.8408  608.313   51.179    0.0000    0.0000    608.313   51.179    ?       ?       67.259  2.8408  ?              ?        
1 1 1 -10 -18 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -18 25 o 18.938  2.9173  50.855    14.362    44.706    21.099    56.164    19.606    17.812  4.4386  20.064  3.7870  -2.252544      5.834591 
1 1 1 -10 -18 26 o 92.644  2.3212  1159.06   57.573    1141.59   82.313    1175.80   80.556    91.947  3.3423  93.342  3.2221  -1.394630      4.642467 
1 1 1 -10 -18 27 o 75.487  2.1135  768.373   42.681    822.633   61.207    717.016   59.547    78.091  2.9262  72.883  3.0503  5.207924       4.226946 
1 1 1 -10 -18 28 o 36.142  2.1363  177.048   20.440    194.719   29.839    161.424   28.057    37.857  2.9665  34.428  3.0750  3.428955       4.272679 
1 1 1 -10 -18 29 o 41.996  2.1271  239.527   23.752    245.088   34.354    234.434   32.876    42.458  3.0410  41.534  2.9749  0.9242592      4.254150 
1 1 1 -10 -18 30 o 71.374  2.1399  689.739   40.904    702.369   58.479    677.640   57.234    72.012  3.0318  70.736  3.0208  1.276230       4.279882 
1 1 1 -10 -18 31 o 88.046  2.3391  1053.64   55.161    1067.27   78.405    1040.28   77.620    88.612  3.3034  87.481  3.3126  1.131233       4.678263 
1 1 1 -10 -18 32 o 71.131  2.2216  687.368   42.317    706.697   60.517    668.874   59.196    72.112  3.1331  70.150  3.1505  1.961937       4.443188 
1 1 1 -10 -18 33 o 59.547  2.1936  482.906   34.858    520.156   49.944    447.529   48.673    61.855  3.0146  57.240  3.1873  4.614635       4.387112 
1 1 1 -10 -18 34 o 54.125  2.2136  401.452   31.896    381.995   45.652    420.010   44.584    52.796  3.2439  55.455  3.0129  -2.658657      4.427266 
1 1 1 -10 -18 35 o 32.347  2.4549  145.187   20.917    152.836   29.850    137.807   29.320    33.214  3.4034  31.479  3.5388  1.735018       4.909773 
1 1 1 -10 -18 36 o 53.152  2.3130  390.458   32.679    362.704   46.544    417.442   45.894    51.211  3.4128  55.093  3.1229  -3.882088      4.625958 
1 1 1 -10 -18 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -18 38 o 15.203  3.5584  31.794    17.774    45.834    24.518    16.244    25.804    17.525  4.9857  12.881  5.0785  4.644017       7.116759 
1 1 1 -10 -18 39 o 11.590  3.3305  10.152    16.286    5.4308    22.946    14.944    23.119    10.957  4.6069  12.224  4.8110  -1.266560      6.661054 
1 1 1 -10 -18 40 o 11.273  3.1783  5.7631    16.302    25.733    21.900    -19.0571  24.415    13.656  4.8137  8.8902  4.1515  4.765606       6.356639 
1 1 1 -10 -18 41 o 36.869  2.6653  196.806   25.892    213.107   37.172    181.443   36.086    38.445  3.6538  35.293  3.8815  3.151588       5.330643 
1 1 1 -10 -18 42 o 39.305  2.7724  228.490   28.290    268.842   39.921    187.784   40.095    43.204  3.4793  35.407  4.3173  7.797161       5.544727 
1 1 1 -10 -18 43 o 15.112  3.8166  33.409    19.719    23.296    26.444    46.076    29.596    13.388  5.1805  16.837  5.6062  -3.449100      7.633268 
1 1 1 -10 -18 44 o 15.834  3.9400  39.766    20.704    35.279    28.064    45.125    30.669    15.092  5.4353  16.576  5.7053  -1.483181      7.879964 
1 1 1 -10 -18 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -18 46 o 21.014  4.2646  76.340    26.299    46.389    33.958    121.225   41.572    16.194  5.9565  25.834  6.1047  -9.639824      8.529197 
1 1 1 -10 -18 47 o 10.097  3.1115  6.0921    14.584    2.7419    28.082    7.3295    17.066    10.690  4.7811  9.5041  3.9833  1.185754       6.223045 
1 1 1 -10 -17 1  o 92.983  2.2684  1160.83   56.485    1191.44   80.295    1130.84   79.475    94.198  3.1824  91.767  3.2333  2.430855       4.536772 
1 1 1 -10 -17 2  o 81.488  2.1289  891.196   46.464    906.248   65.928    876.342   65.495    82.173  2.9954  80.804  3.0261  1.369003       4.257887 
1 1 1 -10 -17 3  o 140.986 2.9382  2672.37   110.954   2683.00   157.460   2661.89   156.371   141.264 4.1615  140.709 4.1490  0.5550385      5.876443 
1 1 1 -10 -17 4  o 56.832  1.9043  433.370   28.967    453.078   41.054    413.831   40.878    58.121  2.6372  55.543  2.7477  2.577869       3.808516 
1 1 1 -10 -17 5  o 44.926  1.8551  271.657   22.223    267.116   31.499    276.158   31.357    44.549  2.6518  45.304  2.5949  -0.7551613     3.710194 
1 1 1 -10 -17 6  o 88.206  2.1895  1044.05   51.728    1056.05   73.183    1032.07   73.125    88.714  3.0798  87.699  3.1130  1.014854       4.379075 
1 1 1 -10 -17 7  o 145.815 3.0367  2858.85   118.545   2964.65   167.773   2753.36   167.521   148.519 4.2175  143.110 4.3703  5.408859       6.073427 
1 1 1 -10 -17 8  o 104.461 2.4119  1465.28   67.458    1503.23   95.074    1426.81   95.730    105.827 3.3541  103.095 3.4668  2.732697       4.823723 
1 1 1 -10 -17 9  o 176.925 3.5196  4213.37   166.759   4299.71   235.543   4126.59   236.125   178.752 4.9196  175.097 5.0347  3.655228       7.039214 
1 1 1 -10 -17 10 o 45.396  2.1690  280.032   25.088    285.917   31.444    269.724   41.614    46.105  2.5563  44.687  3.5048  1.417839       4.338041 
1 1 1 -10 -17 11 o 70.296  2.7428  662.780   51.643    662.780   51.643    0.0000    0.0000    70.296  2.7428  ?       ?       ?              ?        
1 1 1 -10 -17 12 o 107.009 3.3541  1537.06   96.138    1537.06   96.138    0.0000    0.0000    107.009 3.3541  ?       ?       ?              ?        
1 1 1 -10 -17 13 o 214.992 5.8748  6234.24   338.302   6234.24   338.302   0.0000    0.0000    214.992 5.8748  ?       ?       ?              ?        
1 1 1 -10 -17 14 o 21.726  3.4248  64.908    19.270    64.908    19.270    0.0000    0.0000    21.726  3.4248  ?       ?       ?              ?        
1 1 1 -10 -17 15 o 63.654  3.8924  546.460   66.046    546.460   66.046    0.0000    0.0000    63.654  3.8924  ?       ?       ?              ?        
1 1 1 -10 -17 16 o 60.925  4.3083  501.679   69.852    0.0000    0.0000    501.679   69.852    ?       ?       60.925  4.3083  ?              ?        
1 1 1 -10 -17 17 o 112.563 3.5536  1702.01   107.139   0.0000    0.0000    1702.01   107.139   ?       ?       112.563 3.5536  ?              ?        
1 1 1 -10 -17 18 o 21.368  3.6872  63.098    20.341    0.0000    0.0000    63.098    20.341    ?       ?       21.368  3.6872  ?              ?        
1 1 1 -10 -17 19 o 67.584  2.7561  612.993   49.893    0.0000    0.0000    612.993   49.893    ?       ?       67.584  2.7561  ?              ?        
1 1 1 -10 -17 20 o 15.770  4.2661  34.599    18.456    0.0000    0.0000    34.599    18.456    ?       ?       15.770  4.2661  ?              ?        
1 1 1 -10 -17 21 o 208.874 5.7751  5907.69   323.095   0.0000    0.0000    5907.69   323.095   ?       ?       208.874 5.7751  ?              ?        
1 1 1 -10 -17 22 o 104.382 3.3874  1465.37   94.707    0.0000    0.0000    1465.37   94.707    ?       ?       104.382 3.3874  ?              ?        
1 1 1 -10 -17 23 o 50.243  2.7002  340.054   36.205    0.0000    0.0000    340.054   36.205    ?       ?       50.243  2.7002  ?              ?        
1 1 1 -10 -17 24 o 163.454 4.6706  3614.41   204.482   0.0000    0.0000    3614.41   204.482   ?       ?       163.454 4.6706  ?              ?        
1 1 1 -10 -17 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -17 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -17 27 o 67.763  2.0787  618.723   37.718    618.235   54.001    619.188   52.704    67.731  2.9766  67.794  2.9025  -0.6260681E-01 4.157474 
1 1 1 -10 -17 28 o 102.699 2.4861  1426.75   68.381    1452.99   97.260    1401.09   96.159    103.636 3.5038  101.762 3.5279  1.874771       4.972170 
1 1 1 -10 -17 29 o 133.777 2.9427  2436.70   105.427   2396.72   149.340   2476.42   148.853   132.661 4.2028  134.892 4.1199  -2.231445      5.885329 
1 1 1 -10 -17 30 o 11.964  3.1043  15.835    13.036    16.506    18.206    15.129    18.674    12.046  4.3719  11.881  4.4084  0.1647205      6.208670 
1 1 1 -10 -17 31 o 73.992  2.1960  741.739   43.514    760.187   62.216    724.074   60.881    74.894  3.1015  73.091  3.1098  1.802879       4.392026 
1 1 1 -10 -17 32 o 42.263  2.1665  244.021   24.303    232.991   34.976    254.318   33.793    41.302  3.1862  43.223  2.9363  -1.920734      4.332902 
1 1 1 -10 -17 33 o 114.021 2.7438  1781.35   83.797    1788.18   118.500   1774.52   118.515   114.245 3.8725  113.797 3.8882  0.4477692      5.487685 
1 1 1 -10 -17 34 o 49.416  2.2255  333.469   29.248    362.067   42.099    306.787   40.664    51.495  3.0661  47.337  3.2264  4.157917       4.450928 
1 1 1 -10 -17 35 o 53.860  2.2077  397.272   31.649    428.352   45.055    366.999   44.467    55.986  3.0157  51.734  3.2251  4.251598       4.415363 
1 1 1 -10 -17 36 o 46.831  2.2922  301.834   28.571    307.425   40.820    296.465   40.004    47.256  3.2446  46.405  3.2388  0.8514404      4.584475 
1 1 1 -10 -17 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -17 38 o 44.684  2.4237  280.367   28.346    333.277   40.202    228.057   39.973    49.101  3.0723  40.266  3.7494  8.834599       4.847349 
1 1 1 -10 -17 39 o 15.216  3.5966  31.909    17.725    20.350    24.730    44.120    25.418    13.264  5.0405  17.168  5.1317  -3.904531      7.193157 
1 1 1 -10 -17 40 f 42.283  2.5300  253.602   28.379    247.465   39.911    259.877   40.360    41.745  3.6048  42.821  3.5509  -1.075653      5.060013 
1 1 1 -10 -17 41 o 42.428  2.5895  258.525   29.084    274.053   41.072    242.906   41.191    43.814  3.5297  41.043  3.7898  2.771275       5.178940 
1 1 1 -10 -17 42 o 24.974  3.3923  96.034    21.847    86.316    30.244    106.639   31.593    23.515  4.9581  26.433  4.6311  -2.918121      6.784541 
1 1 1 -10 -17 43 f 15.758  3.8131  38.218    19.666    28.656    27.421    48.344    28.219    14.245  5.3309  17.270  5.4535  -3.024987      7.626207 
1 1 1 -10 -17 44 o 15.896  3.9291  39.561    20.639    32.442    27.898    48.168    30.676    14.715  5.4010  17.076  5.7081  -2.361036      7.858294 
1 1 1 -10 -17 45 o 10.657  3.0309  9.9733    14.282    -16.0835  26.471    20.672    16.962    9.2985  4.3357  12.016  4.2363  -2.717490      6.061741 
1 1 1 -10 -17 46 o 18.298  3.3043  42.169    18.439    107.331   31.761    9.0439    22.645    25.768  4.7778  10.828  4.5659  14.93992       6.608662 
1 1 1 -10 -17 47 o 13.716  3.2444  31.945    16.307    -1.6189   30.201    45.758    19.374    10.709  4.8587  16.723  4.3009  -6.014559      6.488826 
1 1 1 -10 -16 1  o 193.707 3.8233  5055.05   198.364   5043.97   281.148   5066.03   279.915   193.492 5.4248  193.922 5.3890  -0.4303436     7.646553 
1 1 1 -10 -16 2  o 110.019 2.4887  1625.02   73.333    1616.52   104.133   1633.37   103.291   109.732 3.5430  110.306 3.4960  -0.5738602     4.977423 
1 1 1 -10 -16 3  o 84.972  2.1449  968.645   48.815    968.602   69.316    968.687   68.756    84.970  3.0457  84.975  3.0209  -0.4920959E-02 4.289731 
1 1 1 -10 -16 4  o 208.593 4.0793  5862.67   227.913   5905.12   322.925   5820.55   321.713   209.347 5.7590  207.839 5.7790  1.508774       8.158596 
1 1 1 -10 -16 5  o 85.003  2.1465  969.256   48.867    985.159   69.291    953.520   68.927    85.697  3.0187  84.308  3.0523  1.388893       4.292933 
1 1 1 -10 -16 6  o 111.939 2.5171  1681.91   75.468    1666.09   106.651   1697.78   106.806   111.410 3.5740  112.467 3.5455  -1.056656      5.034276 
1 1 1 -10 -16 7  o 190.752 3.7276  4897.65   190.408   5023.61   269.430   4771.98   269.126   193.214 5.2062  188.290 5.3363  4.923874       7.455198 
1 1 1 -10 -16 8  o 126.929 2.7455  2163.45   93.340    2169.36   131.643   2157.46   132.365   127.105 3.8668  126.754 3.8987  0.3517685      5.491072 
1 1 1 -10 -16 9  o 123.379 3.2909  2073.76   101.997   2128.27   125.179   1966.10   175.937   125.909 3.7118  120.849 5.4353  5.059769       6.581832 
1 1 1 -10 -16 10 o 145.931 4.2262  2861.06   165.189   2861.06   165.189   0.0000    0.0000    145.931 4.2262  ?       ?       ?              ?        
1 1 1 -10 -16 11 o 57.778  2.5972  447.620   40.194    447.620   40.194    0.0000    0.0000    57.778  2.5972  ?       ?       ?              ?        
1 1 1 -10 -16 12 o 239.999 6.4392  7771.80   413.934   7771.80   413.934   0.0000    0.0000    239.999 6.4392  ?       ?       ?              ?        
1 1 1 -10 -16 13 o 116.651 3.5709  1826.64   111.574   1826.64   111.574   0.0000    0.0000    116.651 3.5709  ?       ?       ?              ?        
1 1 1 -10 -16 14 o 53.305  2.5838  381.014   36.890    381.014   36.890    0.0000    0.0000    53.305  2.5838  ?       ?       ?              ?        
1 1 1 -10 -16 15 o 40.723  3.9629  224.859   42.679    224.859   42.679    0.0000    0.0000    40.723  3.9629  ?       ?       ?              ?        
1 1 1 -10 -16 16 o 158.581 6.5542  3396.52   278.394   0.0000    0.0000    3396.52   278.394   ?       ?       158.581 6.5542  ?              ?        
1 1 1 -10 -16 17 o 96.939  3.2088  1261.17   83.316    0.0000    0.0000    1261.17   83.316    ?       ?       96.939  3.2088  ?              ?        
1 1 1 -10 -16 18 o 48.317  2.6173  314.035   33.746    0.0000    0.0000    314.035   33.746    ?       ?       48.317  2.6173  ?              ?        
1 1 1 -10 -16 19 o 210.630 5.7638  5986.91   325.176   0.0000    0.0000    5986.91   325.176   ?       ?       210.630 5.7638  ?              ?        
1 1 1 -10 -16 20 o 79.130  2.9724  840.412   62.999    0.0000    0.0000    840.412   62.999    ?       ?       79.130  2.9724  ?              ?        
1 1 1 -10 -16 21 o 27.670  3.1216  104.105   22.731    0.0000    0.0000    104.105   22.731    ?       ?       27.670  3.1216  ?              ?        
1 1 1 -10 -16 22 o 77.289  2.9223  802.082   60.498    0.0000    0.0000    802.082   60.498    ?       ?       77.289  2.9223  ?              ?        
1 1 1 -10 -16 23 o 66.773  2.7850  598.708   49.811    0.0000    0.0000    598.708   49.811    ?       ?       66.773  2.7850  ?              ?        
1 1 1 -10 -16 24 o 79.884  2.1576  857.321   46.132    867.961   66.687    847.557   63.883    80.355  3.0984  79.414  3.0033  0.9412079      4.315108 
1 1 1 -10 -16 25 o 169.746 3.4606  3900.75   157.300   3815.54   223.062   3985.04   221.855   167.877 4.9607  171.615 4.8264  -3.737885      6.921223 
1 1 1 -10 -16 26 o ?       ?       700.599   33866.35  782.493   58658.95  659.654   41477.39  ?       ?       ?       ?       ?              ?        
1 1 1 -10 -16 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -16 28 o 89.134  2.3346  1072.51   55.715    1052.33   79.372    1092.12   78.228    88.296  3.3561  89.972  3.2461  -1.676506      4.669138 
1 1 1 -10 -16 29 o 48.112  2.0710  313.033   26.544    321.243   38.392    305.514   36.740    48.713  2.9564  47.510  2.9010  1.202469       4.141992 
1 1 1 -10 -16 30 o 50.816  2.0674  349.617   28.012    358.535   40.204    341.203   39.051    51.446  2.9297  50.186  2.9177  1.260532       4.134736 
1 1 1 -10 -16 31 o 57.013  2.1084  439.830   32.098    469.118   46.139    412.362   44.682    58.903  2.9244  55.123  3.0380  3.779610       4.216856 
1 1 1 -10 -16 32 o 46.111  2.1544  289.673   26.423    280.299   37.932    298.509   36.829    45.359  3.1415  46.862  2.9492  -1.502888      4.308860 
1 1 1 -10 -16 33 f 52.177  2.1665  370.579   30.136    382.777   43.044    358.852   42.207    53.028  3.0433  51.327  3.0844  1.700645       4.333013 
1 1 1 -10 -16 34 o 18.965  3.1760  51.318    16.021    40.041    22.101    63.806    23.258    16.757  4.7219  21.173  4.2488  -4.416210      6.352053 
1 1 1 -10 -16 35 f 40.293  2.3015  223.878   24.387    258.848   34.662    189.600   34.318    43.517  2.9919  37.068  3.4979  6.449677       4.602903 
1 1 1 -10 -16 36 o 14.357  3.4011  27.324    15.407    23.541    20.980    31.753    22.698    13.551  4.7157  15.163  4.9021  -1.611471      6.802118 
1 1 1 -10 -16 37 o 46.894  2.3155  303.628   28.870    316.690   40.655    290.342   41.003    47.955  3.1833  45.834  3.3634  2.120270       4.630946 
1 1 1 -10 -16 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -16 39 o 35.855  2.6629  181.953   25.165    189.791   35.530    174.064   35.649    36.687  3.6647  35.023  3.8645  1.664162       5.325782 
1 1 1 -10 -16 40 o 28.251  3.2197  121.517   22.616    156.359   31.286    83.383    32.730    33.197  3.5748  23.304  5.3559  9.892826       6.439307 
1 1 1 -10 -16 41 o 33.487  2.8962  164.510   25.157    181.810   34.872    145.736   36.328    35.590  3.7127  31.383  4.4461  4.207603       5.792462 
1 1 1 -10 -16 42 o 11.348  3.2460  5.7597    16.963    25.688    23.161    -17.2978  24.913    13.630  4.9335  9.0653  4.2200  4.564784       6.492096 
1 1 1 -10 -16 43 o 21.742  3.6743  75.975    21.154    82.516    29.389    68.942    30.474    22.909  4.9352  20.576  5.4447  2.332592       7.348571 
1 1 1 -10 -16 44 o 18.337  3.2422  58.399    16.836    28.061    28.478    74.700    20.875    14.175  5.4037  22.498  3.5844  -8.322928      6.484398 
1 1 1 -10 -16 45 o 12.423  3.0159  21.923    14.216    -10.3927  26.104    35.549    16.951    9.6827  4.4400  15.164  4.0827  -5.480931      6.031787 
1 1 1 -10 -16 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -16 47 o 14.396  3.6444  30.470    16.300    47.440    31.176    24.086    19.122    16.248  5.7417  12.543  4.4898  3.705070       7.288747 
1 1 1 -10 -15 1  o 130.505 2.7917  2288.91   97.503    2189.54   138.326   2387.05   137.459   127.679 4.0448  133.331 3.8490  -5.652626      5.583476 
1 1 1 -10 -15 2  o 97.711  2.3239  1281.23   60.810    1265.64   86.420    1296.52   85.582    97.121  3.3221  98.302  3.2504  -1.181679      4.647705 
1 1 1 -10 -15 3  o 187.676 3.6914  4739.29   185.524   4862.35   263.062   4617.50   261.685   190.109 5.1661  185.243 5.2741  4.866272       7.382747 
1 1 1 -10 -15 4  o 306.616 5.7970  12740.10  475.673   13377.73  673.795   12106.58  671.617   314.349 8.0025  298.883 8.3894  15.46664       11.59408 
1 1 1 -10 -15 5  o 161.686 3.2618  3513.76   141.247   3572.36   200.061   3455.52   199.449   163.034 4.5814  160.338 4.6442  2.696228       6.523578 
1 1 1 -10 -15 6  o 115.040 2.5524  1776.43   78.637    1737.50   111.095   1815.52   111.324   113.775 3.6455  116.306 3.5735  -2.531311      5.104889 
1 1 1 -10 -15 7  o 295.406 5.5553  11810.05  439.469   12089.19  621.667   11531.21  621.339   298.931 7.7642  291.881 7.9476  7.050385       11.11066 
1 1 1 -10 -15 8  o 86.692  2.1383  1007.83   49.646    992.351   69.548    1023.91   70.891    86.014  3.0188  87.370  3.0293  -1.356415      4.276609 
1 1 1 -10 -15 9  o 129.630 3.3888  2296.55   110.124   2370.25   135.114   2150.70   190.064   132.873 3.7964  126.387 5.6145  6.486237       6.777523 
1 1 1 -10 -15 10 o 49.958  2.5230  335.466   33.652    335.466   33.652    0.0000    0.0000    49.958  2.5230  ?       ?       ?              ?        
1 1 1 -10 -15 11 o 349.539 9.2568  16602.75  866.656   16602.75  866.656   0.0000    0.0000    349.539 9.2568  ?       ?       ?              ?        
1 1 1 -10 -15 12 o 171.700 4.7969  3963.92   220.608   3963.92   220.608   0.0000    0.0000    171.700 4.7969  ?       ?       ?              ?        
1 1 1 -10 -15 13 o 117.853 3.5802  1864.27   113.014   1864.27   113.014   0.0000    0.0000    117.853 3.5802  ?       ?       ?              ?        
1 1 1 -10 -15 14 o 187.378 5.1955  4724.58   260.755   4724.58   260.755   0.0000    0.0000    187.378 5.1955  ?       ?       ?              ?        
1 1 1 -10 -15 15 o 124.326 5.4921  2081.24   182.889   0.0000    0.0000    2081.24   182.889   ?       ?       124.326 5.4921  ?              ?        
1 1 1 -10 -15 16 o 154.700 6.4100  3229.13   265.605   0.0000    0.0000    3229.13   265.605   ?       ?       154.700 6.4100  ?              ?        
1 1 1 -10 -15 17 o 168.538 4.7755  3820.36   215.578   0.0000    0.0000    3820.36   215.578   ?       ?       168.538 4.7755  ?              ?        
1 1 1 -10 -15 18 o 156.004 4.4981  3272.16   187.954   0.0000    0.0000    3272.16   187.954   ?       ?       156.004 4.4981  ?              ?        
1 1 1 -10 -15 19 o 171.966 4.8663  3979.53   224.144   0.0000    0.0000    3979.53   224.144   ?       ?       171.966 4.8663  ?              ?        
1 1 1 -10 -15 20 o 177.535 4.9585  4243.51   235.790   0.0000    0.0000    4243.51   235.790   ?       ?       177.535 4.9585  ?              ?        
1 1 1 -10 -15 21 o 144.367 4.2036  2802.72   162.545   0.0000    0.0000    2802.72   162.545   ?       ?       144.367 4.2036  ?              ?        
1 1 1 -10 -15 22 o 97.079  3.2836  1265.61   85.382    0.0000    0.0000    1265.61   85.382    ?       ?       97.079  3.2836  ?              ?        
1 1 1 -10 -15 23 o 214.678 5.9578  6234.87   342.580   0.0000    0.0000    6234.87   342.580   ?       ?       214.678 5.9578  ?              ?        
1 1 1 -10 -15 24 o 89.489  2.2838  1076.01   54.723    1082.20   78.512    1070.15   76.314    89.736  3.2665  89.242  3.1926  0.4940796      4.567598 
1 1 1 -10 -15 25 o 129.849 2.8288  2271.81   98.377    2264.03   139.925   2279.42   138.340   129.624 4.0301  130.075 3.9707  -0.4512177     5.657590 
1 1 1 -10 -15 26 o 122.773 2.7361  2031.86   89.973    2031.69   127.782   2032.02   126.706   122.765 3.8860  122.782 3.8528  -0.1655579E-01 5.472218 
1 1 1 -10 -15 27 o ?       ?       953.019   28719.05  925.197   49743.48  966.929   35173.30  ?       ?       ?       ?       ?              ?        
1 1 1 -10 -15 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -15 29 o 54.175  2.0770  396.058   29.882    454.316   43.064    341.962   41.498    58.085  2.7680  50.266  3.0973  7.819260       4.153924 
1 1 1 -10 -15 30 o 58.937  2.0943  469.117   32.976    494.164   47.111    445.057   46.174    60.527  2.9060  57.347  3.0166  3.179298       4.188639 
1 1 1 -10 -15 31 o 68.561  2.1769  635.436   39.970    652.577   56.881    618.716   56.178    69.479  3.0565  67.643  3.1007  1.835747       4.353878 
1 1 1 -10 -15 32 o 19.581  2.9534  54.904    15.245    33.777    21.301    77.086    21.826    15.600  4.7058  23.563  3.5702  -7.962888      5.906810 
1 1 1 -10 -15 33 o 43.748  2.1750  260.956   25.294    274.619   35.772    247.294   35.771    44.920  2.9903  42.576  3.1593  2.343937       4.350029 
1 1 1 -10 -15 34 o 11.972  3.0807  14.905    13.531    25.381    18.442    2.6895    19.914    13.715  4.4171  10.228  4.2956  3.487470       6.161424 
1 1 1 -10 -15 35 o 42.986  2.2646  253.129   25.834    234.034   36.282    272.765   36.793    41.301  3.3076  44.671  3.0941  -3.370083      4.529192 
1 1 1 -10 -15 36 o 82.304  2.4339  929.396   53.546    985.466   75.183    871.682   76.278    84.898  3.3063  79.710  3.5727  5.188347       4.867825 
1 1 1 -10 -15 37 o 74.157  2.3712  755.287   47.067    772.939   65.916    736.926   67.228    75.082  3.2777  73.233  3.4273  1.849434       4.742320 
1 1 1 -10 -15 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -15 39 o 21.004  3.3285  66.049    18.357    78.268    25.414    52.719    26.545    23.234  4.2399  18.773  5.1321  4.461687       6.656945 
1 1 1 -10 -15 40 o 30.093  2.9079  130.525   22.815    128.747   31.710    132.433   32.852    29.902  4.0646  30.285  4.1597  -0.3831482     5.815883 
1 1 1 -10 -15 41 o 22.334  3.5119  76.685    20.501    85.948    28.399    66.604    29.625    23.964  4.5916  20.704  5.3151  3.259897       7.023768 
1 1 1 -10 -15 42 o 13.118  3.2529  23.156    13.509    27.057    23.527    21.238    16.500    13.918  4.9804  12.317  4.1859  1.601218       6.505861 
1 1 1 -10 -15 43 o 20.223  3.2195  65.600    16.342    54.471    28.390    71.115    19.985    18.373  5.4068  22.073  3.4969  -3.699587      6.439053 
1 1 1 -10 -15 44 o 18.056  3.3185  55.299    16.324    35.640    29.086    64.339    19.723    15.290  5.5295  20.821  3.6707  -5.530997      6.637000 
1 1 1 -10 -15 45 o 12.388  3.3179  20.376    14.654    14.682    26.639    22.847    17.548    12.248  5.0408  12.528  4.3154  -0.2799892     6.635733 
1 1 1 -10 -15 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -15 47 o 21.507  3.5080  78.885    18.717    73.059    33.937    81.432    22.439    19.952  5.9220  23.062  3.7623  -3.109400      7.016030 
1 1 1 -10 -15 48 o 13.286  3.6109  23.636    16.474    45.853    31.669    15.392    19.290    15.619  5.7512  10.953  4.3679  4.665965       7.221814 
1 1 1 -10 -14 1  o 87.574  2.1888  1028.72   51.341    1033.30   72.931    1024.22   72.287    87.767  3.1023  87.381  3.0886  0.3859100      4.377626 
1 1 1 -10 -14 2  o 59.075  1.9012  468.542   30.035    439.396   42.588    497.383   42.364    57.243  2.7776  60.908  2.5968  -3.665054      3.802467 
1 1 1 -10 -14 3  o 98.848  2.3322  1311.02   61.742    1294.81   87.517    1327.07   87.119    98.238  3.3260  99.457  3.2703  -1.219200      4.664448 
1 1 1 -10 -14 4  o 222.382 4.2782  6665.08   254.633   6985.16   360.833   6347.56   359.382   227.731 5.9155  217.032 6.1822  10.69904       8.556472 
1 1 1 -10 -14 5  o 151.594 3.1023  3087.42   125.956   3137.68   178.223   3037.26   178.036   152.830 4.3538  150.358 4.4207  2.472672       6.204676 
1 1 1 -10 -14 6  o ?       ?       7711.90   48260.68  7711.90   48260.68  0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -10 -14 7  o 169.453 6.6910  3873.19   303.691   3873.19   303.691   0.0000    0.0000    169.453 6.6910  ?       ?       ?              ?        
1 1 1 -10 -14 8  o 77.521  3.9105  808.839   80.935    808.839   80.935    0.0000    0.0000    77.521  3.9105  ?       ?       ?              ?        
1 1 1 -10 -14 9  o 139.944 5.6956  2636.52   213.492   2636.52   213.492   0.0000    0.0000    139.944 5.6956  ?       ?       ?              ?        
1 1 1 -10 -14 10 o 121.526 3.6776  1982.21   119.709   1982.21   119.709   0.0000    0.0000    121.526 3.6776  ?       ?       ?              ?        
1 1 1 -10 -14 11 o 169.825 4.7358  3876.62   215.419   3876.62   215.419   0.0000    0.0000    169.825 4.7358  ?       ?       ?              ?        
1 1 1 -10 -14 12 o 49.385  2.4262  326.946   32.094    326.946   32.094    0.0000    0.0000    49.385  2.4262  ?       ?       ?              ?        
1 1 1 -10 -14 13 o 168.193 4.7066  3802.67   212.033   3802.67   212.033   0.0000    0.0000    168.193 4.7066  ?       ?       ?              ?        
1 1 1 -10 -14 14 o 158.974 6.4336  3408.54   273.950   3408.54   273.950   0.0000    0.0000    158.974 6.4336  ?       ?       ?              ?        
1 1 1 -10 -14 15 o 115.336 5.1787  1789.81   159.984   0.0000    0.0000    1789.81   159.984   ?       ?       115.336 5.1787  ?              ?        
1 1 1 -10 -14 16 o 103.535 3.2739  1438.31   90.790    0.0000    0.0000    1438.31   90.790    ?       ?       103.535 3.2739  ?              ?        
1 1 1 -10 -14 17 o 102.930 3.3242  1421.69   91.647    0.0000    0.0000    1421.69   91.647    ?       ?       102.930 3.3242  ?              ?        
1 1 1 -10 -14 18 o 207.650 5.7445  5809.60   319.503   0.0000    0.0000    5809.60   319.503   ?       ?       207.650 5.7445  ?              ?        
1 1 1 -10 -14 19 o 115.906 3.5881  1803.54   111.394   0.0000    0.0000    1803.54   111.394   ?       ?       115.906 3.5881  ?              ?        
1 1 1 -10 -14 20 o 186.559 5.1616  4685.60   257.922   0.0000    0.0000    4685.60   257.922   ?       ?       186.559 5.1616  ?              ?        
1 1 1 -10 -14 21 o 140.973 4.1543  2671.11   156.862   0.0000    0.0000    2671.11   156.862   ?       ?       140.973 4.1543  ?              ?        
1 1 1 -10 -14 22 o 58.353  2.6904  456.769   42.051    0.0000    0.0000    456.769   42.051    ?       ?       58.353  2.6904  ?              ?        
1 1 1 -10 -14 23 o 101.309 3.3631  1378.39   91.260    0.0000    0.0000    1378.39   91.260    ?       ?       101.309 3.3631  ?              ?        
1 1 1 -10 -14 24 o 126.430 2.7571  2149.45   93.357    2195.29   132.949   2104.86   131.123   127.762 3.8850  125.099 3.9132  2.662956       5.514258 
1 1 1 -10 -14 25 o 91.298  2.2940  1119.95   56.091    1130.22   80.108    1110.06   78.563    91.708  3.2612  90.889  3.2271  0.8184433      4.588028 
1 1 1 -10 -14 26 o 132.204 2.9074  2356.38   102.920   2299.88   146.045   2412.13   145.062   130.616 4.1745  133.792 4.0480  -3.175613      5.814836 
1 1 1 -10 -14 27 o 62.296  2.1066  521.289   35.133    543.623   50.526    500.382   48.885    63.588  2.9666  61.005  2.9917  2.583416       4.213174 
1 1 1 -10 -14 28 o 87.151  3.2645  1022.87   76.204    0.0000    0.0000    1022.87   76.204    ?       ?       87.151  3.2645  ?              ?        
1 1 1 -10 -14 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -14 30 o 40.286  2.1114  219.737   22.604    231.757   32.535    208.522   31.427    41.360  2.9563  39.211  3.0154  2.148499       4.222834 
1 1 1 -10 -14 31 o 66.717  2.1463  601.183   38.347    614.642   54.203    587.698   54.258    67.471  2.9993  65.963  3.0709  1.508362       4.292586 
1 1 1 -10 -14 32 o 20.479  2.9698  59.151    15.741    54.888    21.896    63.711    22.646    19.686  4.2750  21.272  4.1235  -1.585785      5.939581 
1 1 1 -10 -14 33 o 48.243  2.1529  316.494   27.675    316.020   38.983    316.976   39.296    48.209  3.0345  48.277  3.0547  -0.6829071E-01 4.305722 
1 1 1 -10 -14 34 o 56.037  2.2045  428.397   32.888    451.886   46.041    403.924   46.995    57.649  2.9919  54.424  3.2385  3.224926       4.409016 
1 1 1 -10 -14 35 o 37.894  2.3037  197.712   23.042    213.769   32.139    180.730   33.052    39.547  3.0578  36.241  3.4464  3.305790       4.607342 
1 1 1 -10 -14 36 o 47.487  2.2983  309.981   28.963    329.418   40.388    289.405   41.555    49.084  3.0878  45.891  3.4050  3.192902       4.596586 
1 1 1 -10 -14 37 o 36.349  2.4250  182.710   23.324    180.870   32.526    184.657   33.465    36.170  3.3971  36.529  3.4616  -0.3583221     4.850042 
1 1 1 -10 -14 38 o 15.166  3.3717  31.111    16.529    48.076    22.773    12.221    24.030    18.134  4.6625  12.198  4.8717  5.936471       6.743331 
1 1 1 -10 -14 39 o 47.187  3.5119  310.319   44.069    310.319   44.069    0.0000    0.0000    47.187  3.5119  ?       ?       ?              ?        
1 1 1 -10 -14 40 o 28.353  3.5024  117.730   24.571    114.256   30.474    124.183   41.538    28.135  4.1701  28.570  5.6283  -0.4354267     7.004766 
1 1 1 -10 -14 41 o 25.187  2.8426  94.101    17.424    85.988    29.420    98.484    21.625    23.932  4.7572  26.443  3.1129  -2.510679      5.685183 
1 1 1 -10 -14 42 o 29.652  2.4881  122.188   18.800    142.710   31.400    110.721   23.473    31.383  3.8139  27.921  3.1962  3.462385       4.976111 
1 1 1 -10 -14 43 o 16.539  3.3535  41.000    14.970    47.648    26.001    37.703    18.310    17.347  5.1914  15.730  4.2466  1.617419       6.707041 
1 1 1 -10 -14 44 o 15.006  3.4905  32.733    15.205    41.316    27.893    29.105    18.137    16.146  5.4428  13.867  4.3714  2.278939       6.980905 
1 1 1 -10 -14 45 o 31.122  2.8170  146.462   21.472    138.180   36.302    150.919   26.630    29.811  4.7022  32.434  3.1033  -2.623058      5.633949 
1 1 1 -10 -14 46 o 16.298  3.8577  36.611    17.140    63.826    36.709    29.023    19.383    18.886  6.2415  13.711  4.5355  5.174603       7.715363 
1 1 1 -10 -14 47 o 11.269  3.1264  15.142    14.641    -9.0486   27.810    24.416    17.220    9.9212  4.5617  12.618  4.2764  -2.696526      6.252737 
1 1 1 -10 -14 48 o 8.9688  2.9697  -11.5214  14.906    1.3077    30.194    -15.6558  17.141    10.860  4.8991  7.0776  3.3578  3.782583       5.939363 
1 1 1 -10 -13 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 3  o 116.644 3.2049  1821.72   93.311    1845.01   165.764   1810.93   112.897   117.121 5.2840  116.166 3.6284  0.9550705      6.409857 
1 1 1 -10 -13 4  o 59.081  1.8346  467.963   29.031    470.425   40.968    465.480   41.144    59.237  2.5820  58.925  2.6069  0.3127823      3.669135 
1 1 1 -10 -13 5  o 158.393 3.1803  3370.21   134.920   3400.82   190.849   3339.62   190.762   159.115 4.4781  157.672 4.5170  1.442337       6.360513 
1 1 1 -10 -13 6  o 157.385 3.1572  3327.87   133.055   3417.63   188.066   3237.91   188.270   159.517 4.4016  155.254 4.5274  4.263672       6.314418 
1 1 1 -10 -13 7  o 144.650 2.9627  2811.01   114.706   2927.15   161.983   2694.20   162.456   147.657 4.0957  141.643 4.2820  6.013687       5.925401 
1 1 1 -10 -13 8  o 44.917  1.9770  264.126   22.777    246.010   28.169    298.339   38.711    42.769  2.4695  47.064  3.0880  -4.295189      3.953977 
1 1 1 -10 -13 9  o 50.416  2.3803  340.691   32.143    340.691   32.143    0.0000    0.0000    50.416  2.3803  ?       ?       ?              ?        
1 1 1 -10 -13 10 o ?       ?       9892.18   33325.14  9892.18   33325.14  0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 11 o ?       ?       822.984   74545.45  822.984   74545.45  0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 16 o 103.820 3.3171  1446.23   92.241    0.0000    0.0000    1446.23   92.241    ?       ?       103.820 3.3171  ?              ?        
1 1 1 -10 -13 17 o 111.746 3.5087  1675.94   105.021   0.0000    0.0000    1675.94   105.021   ?       ?       111.746 3.5087  ?              ?        
1 1 1 -10 -13 18 f 63.245  2.6400  536.363   44.722    0.0000    0.0000    536.363   44.722    ?       ?       63.245  2.6400  ?              ?        
1 1 1 -10 -13 19 o 148.230 4.3073  2952.58   171.013   0.0000    0.0000    2952.58   171.013   ?       ?       148.230 4.3073  ?              ?        
1 1 1 -10 -13 20 o 61.979  2.6265  515.128   43.602    0.0000    0.0000    515.128   43.602    ?       ?       61.979  2.6265  ?              ?        
1 1 1 -10 -13 21 o 219.199 6.0434  6480.58   354.823   0.0000    0.0000    6480.58   354.823   ?       ?       219.199 6.0434  ?              ?        
1 1 1 -10 -13 22 o 55.840  2.7186  418.232   40.661    0.0000    0.0000    418.232   40.661    ?       ?       55.840  2.7186  ?              ?        
1 1 1 -10 -13 23 o 72.715  2.5464  695.742   45.800    752.440   83.552    671.387   54.761    74.693  4.1932  70.738  2.8902  3.954994       5.092803 
1 1 1 -10 -13 24 o 139.023 2.9589  2599.64   110.175   2599.88   156.602   2599.40   155.033   139.027 4.2054  139.020 4.1635  0.6820679E-02  5.917801 
1 1 1 -10 -13 25 f 31.679  2.2321  136.472   18.629    128.956   26.842    143.456   25.875    30.808  3.3045  32.550  3.0016  -1.741991      4.464231 
1 1 1 -10 -13 26 o 93.472  2.3859  1174.58   59.729    1167.91   84.904    1181.11   84.041    93.206  3.4009  93.737  3.3473  -0.5307617     4.771852 
1 1 1 -10 -13 27 o 20.071  2.9707  56.411    15.480    67.147    22.147    46.155    21.647    22.004  3.9005  18.138  4.4817  3.866447       5.941389 
1 1 1 -10 -13 28 o 47.208  2.1401  301.056   26.823    333.847   38.384    269.762   37.497    49.748  2.8931  44.668  3.1544  5.080250       4.280208 
1 1 1 -10 -13 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 30 o 12.003  2.8873  11.738    13.200    33.675    18.591    -10.5607  18.744    15.531  4.3146  8.4745  3.8380  7.056630       5.774621 
1 1 1 -10 -13 31 o 7.0773  2.3181  -16.6839  10.951    -4.1379   15.102    -30.5966  15.904    8.1263  3.5771  6.0283  2.9493  2.098030       4.636154 
1 1 1 -10 -13 32 o 119.715 2.7909  1949.53   89.457    1991.12   125.764   1906.94   127.271   121.038 3.8792  118.391 4.0135  2.647240       5.581790 
1 1 1 -10 -13 33 f 78.276  2.3070  831.116   48.335    843.071   67.433    818.482   69.320    78.875  3.1918  77.676  3.3318  1.199570       4.613979 
1 1 1 -10 -13 34 o 33.885  2.3951  159.083   21.200    177.171   29.291    139.182   30.724    36.020  3.0652  31.749  3.6812  4.270885       4.790220 
1 1 1 -10 -13 35 o 75.181  2.3417  769.517   47.137    769.920   65.771    769.092   67.589    75.218  3.2645  75.143  3.3581  0.7509613E-01  4.683394 
1 1 1 -10 -13 36 o 49.774  2.2857  340.561   30.159    367.548   41.956    311.709   43.381    51.896  3.0315  47.653  3.4216  4.242790       4.571357 
1 1 1 -10 -13 37 o 32.272  2.5963  145.480   21.920    156.411   30.465    133.748   31.563    33.624  3.4308  30.920  3.8977  2.703590       5.192563 
1 1 1 -10 -13 38 o 44.286  2.4214  273.086   28.247    305.426   39.429    238.986   40.487    47.123  3.1419  41.449  3.6853  5.673843       4.842783 
1 1 1 -10 -13 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -13 40 o 28.123  2.4824  106.858   17.818    133.957   29.592    91.444    22.317    30.773  3.6621  25.473  3.3523  5.299215       4.964744 
1 1 1 -10 -13 41 o 31.814  2.6321  151.294   20.338    120.590   33.240    169.669   25.713    28.650  4.4781  34.977  2.7672  -6.327332      5.264146 
1 1 1 -10 -13 42 o 23.928  2.7719  78.791    16.663    109.050   27.810    61.845    20.812    27.372  3.9038  20.484  3.9361  6.887247       5.543735 
1 1 1 -10 -13 43 o 34.867  2.4266  168.784   21.812    200.363   35.998    150.462   27.419    37.223  3.6578  32.511  3.1898  4.712505       4.853289 
1 1 1 -10 -13 44 o 13.674  3.4370  26.521    14.999    26.912    27.477    26.355    17.902    14.027  5.3172  13.322  4.3566  0.7053013      6.874039 
1 1 1 -10 -13 45 o 15.977  3.0648  23.629    15.107    83.038    28.062    -0.6126   17.926    23.004  4.7129  8.9496  3.9193  14.05409       6.129638 
1 1 1 -10 -13 46 o 8.5353  2.8237  -14.4131  13.842    -3.8902   26.821    -18.2334  16.160    10.324  4.6411  6.7463  3.2176  3.578134       5.647335 
1 1 1 -10 -13 47 o 10.178  3.1273  3.7783    14.344    9.1706    27.309    1.7237    16.857    11.486  4.9341  8.8707  3.8437  2.615021       6.254551 
1 1 1 -10 -13 48 o 21.100  4.8903  65.396    22.285    158.692   68.301    54.281    23.575    24.406  8.5078  17.795  4.8248  6.610937       9.780665 
1 1 1 -10 -12 1  o 201.548 3.9085  5466.22   210.925   5311.98   298.741   5619.53   297.848   198.698 5.6132  204.398 5.4404  -5.699753      7.817022 
1 1 1 -10 -12 2  o 48.367  1.7794  314.482   22.967    307.282   32.518    321.649   32.443    47.810  2.5485  48.923  2.4840  -1.112564      3.558791 
1 1 1 -10 -12 3  o 52.614  1.7749  371.166   25.000    357.121   35.325    385.260   35.387    51.615  2.5551  53.612  2.4643  -1.996670      3.549807 
1 1 1 -10 -12 4  o 165.746 3.3200  3690.30   147.382   3735.41   208.574   3645.31   208.286   166.760 4.6696  164.731 4.7206  2.028885       6.639945 
1 1 1 -10 -12 5  o 257.321 4.9208  8926.98   339.067   9167.10   479.653   8687.15   479.372   260.802 6.8664  253.839 7.0506  6.962601       9.841628 
1 1 1 -10 -12 6  o 141.778 2.9328  2698.35   111.368   2723.53   157.218   2673.00   157.781   142.444 4.1207  141.113 4.1745  1.331787       5.865661 
1 1 1 -10 -12 7  o 194.466 3.7949  5084.49   197.642   5161.44   279.109   5007.09   279.909   195.949 5.3179  192.983 5.4151  2.965393       7.589724 
1 1 1 -10 -12 8  o 179.270 4.2319  4262.71   192.776   4135.06   236.026   4518.49   334.115   175.422 5.0233  183.118 6.8120  -7.695892      8.463856 
1 1 1 -10 -12 9  o 80.314  2.7784  864.752   59.768    864.752   59.768    0.0000    0.0000    80.314  2.7784  ?       ?       ?              ?        
1 1 1 -10 -12 10 o 207.853 5.6454  5810.98   314.296   5810.98   314.296   0.0000    0.0000    207.853 5.6454  ?       ?       ?              ?        
1 1 1 -10 -12 11 o 48.249  2.3983  312.018   30.994    312.018   30.994    0.0000    0.0000    48.249  2.3983  ?       ?       ?              ?        
1 1 1 -10 -12 12 o 124.473 3.6989  2078.98   123.321   2078.98   123.321   0.0000    0.0000    124.473 3.6989  ?       ?       ?              ?        
1 1 1 -10 -12 13 o 139.571 4.0479  2615.11   151.328   2615.11   151.328   0.0000    0.0000    139.571 4.0479  ?       ?       ?              ?        
1 1 1 -10 -12 14 o 44.488  3.7670  267.521   44.466    0.0000    0.0000    267.521   44.466    ?       ?       44.488  3.7670  ?              ?        
1 1 1 -10 -12 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -12 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -12 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -12 18 o 130.175 3.8727  2275.30   135.029   0.0000    0.0000    2275.30   135.029   ?       ?       130.175 3.8727  ?              ?        
1 1 1 -10 -12 19 o 43.553  2.5124  255.171   29.184    0.0000    0.0000    255.171   29.184    ?       ?       43.553  2.5124  ?              ?        
1 1 1 -10 -12 20 o 126.681 3.8846  2155.16   131.809   0.0000    0.0000    2155.16   131.809   ?       ?       126.681 3.8846  ?              ?        
1 1 1 -10 -12 21 o 105.305 3.4389  1488.41   96.998    0.0000    0.0000    1488.41   96.998    ?       ?       105.305 3.4389  ?              ?        
1 1 1 -10 -12 22 o 87.668  3.1865  1031.32   74.825    0.0000    0.0000    1031.32   74.825    ?       ?       87.668  3.1865  ?              ?        
1 1 1 -10 -12 23 f 132.701 3.4535  2333.28   115.925   2481.01   202.937   2261.73   141.237   135.670 5.5846  129.732 4.0645  5.937729       6.907091 
1 1 1 -10 -12 24 o 136.590 2.9019  2508.14   106.144   2579.14   150.627   2438.10   149.597   138.516 4.0599  134.664 4.1475  3.851334       5.803814 
1 1 1 -10 -12 25 o 75.209  2.1428  759.330   43.163    755.614   61.303    762.982   60.783    75.025  3.0506  75.393  3.0100  -0.3673019     4.285574 
1 1 1 -10 -12 26 o 102.458 2.4542  1410.97   67.344    1437.85   95.299    1384.15   95.178    103.437 3.4398  101.480 3.5016  1.956299       4.908477 
1 1 1 -10 -12 27 o 173.705 3.5687  4077.19   166.032   4109.91   234.411   4044.24   235.201   174.414 5.0178  172.997 5.0759  1.416718       7.137394 
1 1 1 -10 -12 28 o 72.334  2.1952  703.624   42.526    712.535   59.939    694.592   60.343    72.798  3.0740  71.870  3.1347  0.9280548      4.390381 
1 1 1 -10 -12 29 o 46.271  2.1197  289.283   26.117    292.098   36.521    286.338   37.364    46.509  2.9470  46.033  3.0476  0.4759903      4.239418 
1 1 1 -10 -12 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -12 31 o 144.671 3.1530  2844.51   122.170   2841.32   171.680   2847.78   173.889   144.602 4.4326  144.741 4.4853  -0.1392212     6.306009 
1 1 1 -10 -12 32 o 39.085  2.2051  207.575   22.881    198.530   32.008    217.027   32.721    38.202  3.1564  39.968  3.0803  -1.765518      4.410291 
1 1 1 -10 -12 33 o 48.986  2.1684  325.556   28.286    308.771   39.359    343.487   40.679    47.669  3.0995  50.303  3.0334  -2.633522      4.336843 
1 1 1 -10 -12 34 o 40.733  2.2428  226.049   24.258    218.193   33.521    234.686   35.148    39.990  3.1551  41.475  3.1884  -1.484737      4.485565 
1 1 1 -10 -12 35 o 38.437  2.3455  201.111   23.675    166.719   32.193    241.615   34.937    34.808  3.5005  42.066  3.1230  -7.258476      4.691094 
1 1 1 -10 -12 36 o 51.105  2.2681  357.400   30.805    362.781   42.247    351.290   45.014    51.560  3.0731  50.650  3.3367  0.9102592      4.536237 
1 1 1 -10 -12 37 o 70.149  2.1674  670.425   40.505    674.006   60.554    667.526   54.490    70.256  3.2179  70.043  2.9044  0.2136154      4.334815 
1 1 1 -10 -12 38 o 22.103  2.6284  68.031    14.717    74.318    23.631    64.048    18.810    22.853  4.0065  21.352  3.4031  1.500744       5.256779 
1 1 1 -10 -12 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -12 40 o 27.147  2.5262  98.939    17.446    132.487   28.709    79.295    21.968    30.667  3.5614  23.627  3.5837  7.039669       5.052361 
1 1 1 -10 -12 41 o 24.543  2.8140  84.814    17.354    97.322    28.829    77.706    21.733    25.788  4.3269  23.297  3.5989  2.491655       5.627935 
1 1 1 -10 -12 42 o 12.146  3.1936  16.354    13.015    25.388    23.548    12.380    15.617    13.743  4.9745  10.548  4.0062  3.195408       6.387160 
1 1 1 -10 -12 43 o 23.116  2.9789  73.845    17.160    107.635   29.454    56.482    21.114    26.880  4.2309  19.352  4.1945  7.527794       5.957727 
1 1 1 -10 -12 44 o 8.0243  2.5804  -6.8905   11.892    -27.8787  23.012    0.7574    13.891    7.8754  3.7785  8.1732  3.5153  -0.2977509     5.160869 
1 1 1 -10 -12 45 o 29.236  2.8533  123.219   20.769    144.635   35.992    112.528   25.430    30.722  4.5080  27.751  3.4990  2.971218       5.706622 
1 1 1 -10 -12 46 f 25.972  3.3670  107.046   21.244    104.450   36.702    108.354   26.053    24.951  5.6260  26.994  3.7007  -2.042786      6.734033 
1 1 1 -10 -12 47 o 19.806  4.0161  80.635    23.227    21.989    61.666    90.331    25.074    15.380  6.9638  24.233  4.0028  -8.852722      8.032262 
1 1 1 -10 -12 48 o 28.363  4.8890  128.106   25.880    226.501   77.272    115.674   27.466    29.435  8.9814  27.291  3.8656  2.144218       9.777921 
1 1 1 -10 -11 1  f 255.141 4.9252  8777.72   336.349   8406.81   475.924   9147.84   475.414   249.719 7.1154  260.564 6.8119  -10.84521      9.850415 
1 1 1 -10 -11 2  o 84.726  2.1131  962.430   47.953    965.384   68.008    959.509   67.625    84.855  2.9923  84.596  2.9845  0.2583160      4.226192 
1 1 1 -10 -11 3  o 161.209 3.2907  3489.74   142.073   3560.45   201.215   3419.43   200.628   162.841 4.6133  159.576 4.6939  3.264648       6.581407 
1 1 1 -10 -11 4  o 149.888 3.0676  3015.61   123.146   2968.94   174.094   3062.34   174.214   148.725 4.3703  151.051 4.3060  -2.326172      6.135215 
1 1 1 -10 -11 5  o 234.173 4.4920  7377.95   281.748   7337.62   398.235   7418.38   398.669   233.530 6.3666  234.816 6.3386  -1.286484      8.983983 
1 1 1 -10 -11 6  o 348.449 6.5171  16418.57  608.141   16776.32  859.856   16060.51  860.228   352.285 9.1126  344.614 9.3195  7.670990       13.03427 
1 1 1 -10 -11 7  o 162.982 3.2669  3565.84   142.609   3521.46   201.085   3610.75   202.280   161.960 4.6353  164.003 4.6048  -2.043076      6.533804 
1 1 1 -10 -11 8  o 260.078 6.0842  9204.82   397.972   9344.69   487.641   8925.87   688.667   263.442 6.9108  256.714 10.015  6.727692       12.16832 
1 1 1 -10 -11 9  o 299.137 7.9143  12070.09  634.123   12070.09  634.123   0.0000    0.0000    299.137 7.9143  ?       ?       ?              ?        
1 1 1 -10 -11 10 o 66.955  2.5571  600.850   45.858    600.850   45.858    0.0000    0.0000    66.955  2.5571  ?       ?       ?              ?        
1 1 1 -10 -11 11 o 125.201 3.6992  2102.80   124.053   2102.80   124.053   0.0000    0.0000    125.201 3.6992  ?       ?       ?              ?        
1 1 1 -10 -11 12 o 226.900 6.1142  6927.60   371.590   6927.60   371.590   0.0000    0.0000    226.900 6.1142  ?       ?       ?              ?        
1 1 1 -10 -11 13 o 28.531  2.6597  110.069   20.092    110.069   20.092    0.0000    0.0000    28.531  2.6597  ?       ?       ?              ?        
1 1 1 -10 -11 14 o 102.945 4.7527  1423.73   131.051   0.0000    0.0000    1423.73   131.051   ?       ?       102.945 4.7527  ?              ?        
1 1 1 -10 -11 15 o 32.431  2.4858  141.814   21.429    0.0000    0.0000    141.814   21.429    ?       ?       32.431  2.4858  ?              ?        
1 1 1 -10 -11 16 o 81.629  2.8835  893.498   63.045    0.0000    0.0000    893.498   63.045    ?       ?       81.629  2.8835  ?              ?        
1 1 1 -10 -11 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -11 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -11 19 o 57.803  2.6181  448.001   40.535    0.0000    0.0000    448.001   40.535    ?       ?       57.803  2.6181  ?              ?        
1 1 1 -10 -11 20 o 65.118  2.7616  568.654   48.166    0.0000    0.0000    568.654   48.166    ?       ?       65.118  2.7616  ?              ?        
1 1 1 -10 -11 21 o 33.324  2.8371  150.021   25.083    0.0000    0.0000    150.021   25.083    ?       ?       33.324  2.8371  ?              ?        
1 1 1 -10 -11 22 o 105.109 3.4245  1482.85   96.409    0.0000    0.0000    1482.85   96.409    ?       ?       105.109 3.4245  ?              ?        
1 1 1 -10 -11 23 o 104.513 3.1625  1497.48   82.079    1395.66   143.295   1547.21   100.134   101.670 5.2801  107.356 3.4823  -5.685677      6.325060 
1 1 1 -10 -11 24 o 83.879  2.2311  944.218   50.124    946.299   71.290    942.184   70.489    83.970  3.1697  83.788  3.1409  0.1811447      4.462280 
1 1 1 -10 -11 25 o 90.414  2.3286  1098.03   56.360    1138.53   79.620    1057.36   79.790    92.090  3.2279  88.738  3.3570  3.352303       4.657142 
1 1 1 -10 -11 26 o 49.315  2.0339  327.692   26.733    337.468   37.628    317.728   37.986    50.066  2.8174  48.564  2.9341  1.502262       4.067717 
1 1 1 -10 -11 27 o 120.271 2.7497  1946.49   88.575    1946.94   124.700   1946.02   125.835   120.287 3.8704  120.254 3.9067  0.3385925E-01  5.499332 
1 1 1 -10 -11 28 o 59.655  2.1128  479.365   33.652    503.810   47.415    454.554   47.768    61.237  2.8908  58.073  3.0820  3.163887       4.225537 
1 1 1 -10 -11 29 o 45.629  2.1780  282.672   26.317    308.733   36.720    255.145   37.738    47.837  2.8792  43.420  3.2688  4.416328       4.356044 
1 1 1 -10 -11 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -11 31 o 11.117  3.0206  11.298    12.621    13.604    16.593    8.1326    19.439    11.280  4.1614  10.955  4.3794  0.3254852      6.041242 
1 1 1 -10 -11 32 o 134.734 3.0376  2470.28   109.572   2513.63   153.564   2425.33   156.391   135.977 4.2163  133.491 4.3739  2.485458       6.075246 
1 1 1 -10 -11 33 o 64.023  2.2148  555.854   37.855    571.275   52.634    539.328   54.485    65.006  3.0229  63.039  3.2378  1.967167       4.429538 
1 1 1 -10 -11 34 o 31.476  2.4421  136.595   20.139    141.406   27.471    131.005   29.611    32.133  3.2358  30.819  3.6586  1.313377       4.884245 
1 1 1 -10 -11 35 o 20.986  2.6961  76.732    14.230    17.454    22.728    114.947   18.249    12.883  4.8470  29.089  2.3626  -16.20572      5.392116 
1 1 1 -10 -11 36 o 24.910  2.4495  84.170    15.548    95.737    25.335    77.181    19.693    26.208  3.7128  23.611  3.1961  2.597353       4.898966 
1 1 1 -10 -11 37 o 37.125  2.1404  187.075   20.822    199.599   32.576    178.424   27.074    38.117  3.2209  36.133  2.8198  1.983658       4.280811 
1 1 1 -10 -11 38 o 17.304  2.8687  36.328    13.445    73.689    23.123    17.246    16.526    22.790  3.9300  11.819  4.1799  10.97100       5.737319 
1 1 1 -10 -11 39 o 40.708  2.8243  227.460   30.604    0.0000    0.0000    227.460   30.604    ?       ?       40.708  2.8243  ?              ?        
1 1 1 -10 -11 40 o 13.630  3.1878  25.297    13.215    27.142    21.724    24.213    16.649    14.108  4.8031  13.153  4.1928  0.9545450      6.375670 
1 1 1 -10 -11 41 o 15.564  3.2800  32.934    14.508    48.759    24.042    23.871    18.194    17.998  4.8692  13.130  4.3960  4.868449       6.560010 
1 1 1 -10 -11 42 o 27.641  2.6569  107.873   18.658    120.500   30.631    100.424   23.526    28.738  4.0953  26.545  3.3860  2.192759       5.313783 
1 1 1 -10 -11 43 o 42.108  2.4677  258.883   26.474    230.636   42.130    277.315   34.033    39.728  4.0142  44.487  2.8714  -4.759087      4.935452 
1 1 1 -10 -11 44 o 24.205  3.1241  89.819    18.606    86.552    31.310    91.603    23.133    23.350  5.1451  25.061  3.5453  -1.711361      6.248260 
1 1 1 -10 -11 45 o 45.673  2.5277  306.279   29.369    290.958   47.989    315.455   37.137    44.180  4.1022  47.166  2.9545  -2.986385      5.055382 
1 1 1 -10 -11 46 o 14.500  3.4348  36.231    17.908    -61.7847  54.264    48.210    18.971    11.325  5.5206  17.675  4.0885  -6.349835      6.869657 
1 1 1 -10 -11 47 o 21.617  4.4349  97.018    28.466    51.500    64.071    108.213   31.775    17.289  7.4925  25.946  4.7471  -8.656822      8.869753 
1 1 1 -10 -11 48 o 14.399  4.5750  34.374    19.836    0.0000    0.0000    34.374    19.836    ?       ?       14.399  4.5750  ?              ?        
1 1 1 -10 -10 1  o 240.003 4.6209  7750.23   297.044   7701.03   420.572   7799.20   419.597   239.238 6.5633  240.768 6.5065  -1.529648      9.241805 
1 1 1 -10 -10 2  o 235.550 4.5050  7461.87   284.204   7583.60   402.407   7340.73   401.444   237.473 6.3265  233.626 6.4153  3.847031       9.009990 
1 1 1 -10 -10 3  o 158.368 3.2001  3365.65   135.743   3390.32   192.115   3341.05   191.823   158.949 4.5125  157.788 4.5388  1.161057       6.400227 
1 1 1 -10 -10 4  o 197.349 3.8436  5230.55   203.166   5279.17   287.288   5181.91   287.353   198.269 5.4097  196.429 5.4616  1.840103       7.687260 
1 1 1 -10 -10 5  o 254.505 4.7973  8711.21   327.030   8706.92   462.192   8715.51   462.788   254.443 6.7818  254.568 6.7872  -0.1246033     9.594696 
1 1 1 -10 -10 6  o 228.143 4.3745  6994.80   267.313   7030.49   377.578   6958.94   378.500   228.729 6.1631  227.556 6.2099  1.172806       8.749100 
1 1 1 -10 -10 7  o 276.116 5.1885  10260.15  383.712   10340.83  542.151   10179.17  543.152   277.210 7.3017  275.022 7.3734  2.188232       10.37694 
1 1 1 -10 -10 8  o 316.683 7.4764  13863.29  590.897   14436.31  724.329   12723.22  1021.69   327.302 8.2622  306.063 12.463  21.23941       14.95286 
1 1 1 -10 -10 9  o 256.030 6.8504  8817.59   469.779   8817.59   469.779   0.0000    0.0000    256.030 6.8504  ?       ?       ?              ?        
1 1 1 -10 -10 10 o 96.247  3.0808  1241.74   79.421    1241.74   79.421    0.0000    0.0000    96.247  3.0808  ?       ?       ?              ?        
1 1 1 -10 -10 11 o 208.310 5.6621  5830.52   315.922   5830.52   315.922   0.0000    0.0000    208.310 5.6621  ?       ?       ?              ?        
1 1 1 -10 -10 12 o 270.994 7.2351  9890.98   525.162   9890.98   525.162   0.0000    0.0000    270.994 7.2351  ?       ?       ?              ?        
1 1 1 -10 -10 13 o 128.844 3.8379  2227.02   132.447   2227.02   132.447   0.0000    0.0000    128.844 3.8379  ?       ?       ?              ?        
1 1 1 -10 -10 14 o 118.061 5.1763  1872.88   163.687   0.0000    0.0000    1872.88   163.687   ?       ?       118.061 5.1763  ?              ?        
1 1 1 -10 -10 15 o 172.880 6.9208  4028.03   320.471   0.0000    0.0000    4028.03   320.471   ?       ?       172.880 6.9208  ?              ?        
1 1 1 -10 -10 16 o 297.526 7.9738  11961.25  635.448   0.0000    0.0000    11961.25  635.448   ?       ?       297.526 7.9738  ?              ?        
1 1 1 -10 -10 17 o 134.816 3.9605  2439.81   143.014   0.0000    0.0000    2439.81   143.014   ?       ?       134.816 3.9605  ?              ?        
1 1 1 -10 -10 18 o ?       ?       4944.38   42415.71  0.0000    0.0000    4944.38   42415.71  ?       ?       ?       ?       ?              ?        
1 1 1 -10 -10 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -10 20 o 83.256  3.0129  929.757   67.188    0.0000    0.0000    929.757   67.188    ?       ?       83.256  3.0129  ?              ?        
1 1 1 -10 -10 21 o 48.849  2.6516  320.921   34.563    0.0000    0.0000    320.921   34.563    ?       ?       48.849  2.6516  ?              ?        
1 1 1 -10 -10 22 o 168.161 4.8087  3803.44   216.591   0.0000    0.0000    3803.44   216.591   ?       ?       168.161 4.8087  ?              ?        
1 1 1 -10 -10 23 f 222.247 6.1241  6662.69   364.558   0.0000    0.0000    6662.69   364.558   ?       ?       222.247 6.1241  ?              ?        
1 1 1 -10 -10 24 o 169.247 3.4677  3854.97   157.199   3869.84   222.080   3840.03   222.547   169.577 4.8894  168.917 4.9188  0.6593933      6.935452 
1 1 1 -10 -10 25 o 127.336 2.8304  2179.44   96.525    2203.45   136.026   2155.08   136.992   128.046 3.9661  126.625 4.0391  1.421127       5.660788 
1 1 1 -10 -10 26 o 21.716  2.6963  65.236    15.111    64.906    21.367    65.565    21.374    21.658  3.8230  21.773  3.8033  -0.1152706     5.392677 
1 1 1 -10 -10 27 o 32.701  2.2361  144.845   19.334    140.540   26.896    149.447   27.810    32.194  3.1598  33.207  3.1650  -1.013062      4.472294 
1 1 1 -10 -10 28 f 126.745 2.8328  2163.00   96.155    2115.76   134.786   2211.95   137.213   125.335 4.0150  128.155 3.9973  -2.820465      5.665576 
1 1 1 -10 -10 29 o 121.017 2.7855  1973.50   90.264    1908.09   126.365   2041.66   128.980   118.965 3.9657  123.069 3.9128  -4.104362      5.571042 
1 1 1 -10 -10 30 o ?       ?       62.468    74037.19  97.617    128232.60 44.892    90677.91  ?       ?       ?       ?       ?              ?        
1 1 1 -10 -10 31 o 38.470  4.2207  202.794   42.776    202.794   42.776    0.0000    0.0000    38.470  4.2207  ?       ?       ?              ?        
1 1 1 -10 -10 32 o 40.602  2.2000  223.866   23.697    225.468   32.597    222.071   34.509    40.775  3.0059  40.429  3.2133  0.3458023      4.400054 
1 1 1 -10 -10 33 o 45.083  2.5965  280.579   29.492    287.778   36.711    267.477   49.526    46.058  2.9920  44.108  4.2444  1.949898       5.193004 
1 1 1 -10 -10 34 o 89.490  2.3327  1084.18   55.821    1121.53   81.840    1051.68   76.332    90.907  3.3611  88.073  3.2357  2.833572       4.665487 
1 1 1 -10 -10 35 o 67.655  2.1836  627.713   39.044    570.359   57.979    675.307   52.815    64.678  3.3584  70.633  2.7917  -5.955803      4.367136 
1 1 1 -10 -10 36 o 65.859  2.1393  588.843   37.504    591.959   56.308    586.359   50.281    65.964  3.1869  65.753  2.8549  0.2116241      4.278696 
1 1 1 -10 -10 37 o 13.557  2.9011  20.843    11.842    42.117    19.835    9.0582    14.762    17.124  4.3237  9.9897  3.8692  7.134547       5.802190 
1 1 1 -10 -10 38 o 89.105  2.4430  1093.79   57.935    1049.60   85.838    1130.75   78.517    87.306  3.6707  90.903  3.2248  -3.597084      4.885968 
1 1 1 -10 -10 39 o 47.196  2.1843  304.478   27.170    320.971   41.991    292.600   35.635    48.215  3.2708  46.177  2.8958  2.038059       4.368544 
1 1 1 -10 -10 40 o 17.084  3.1634  42.665    14.357    43.410    23.326    42.211    18.216    17.149  4.8574  17.019  4.0539  0.1301804      6.326766 
1 1 1 -10 -10 41 o 13.978  3.1243  28.162    14.298    8.6743    23.057    40.339    18.226    11.411  4.6921  16.546  4.1265  -5.135498      6.248514 
1 1 1 -10 -10 42 o 7.6452  2.5223  -17.7240  11.092    -0.4361   21.098    -24.3283  13.040    9.8515  4.2844  5.4389  2.6630  4.412536       5.044527 
1 1 1 -10 -10 43 o 14.769  3.1893  22.138    13.979    61.113    26.384    6.9281    16.482    19.786  4.9816  9.7519  3.9836  10.03444       6.378527 
1 1 1 -10 -10 44 o 13.497  3.2099  28.901    16.052    -68.1154  47.452    41.437    17.057    10.415  5.0952  16.579  3.9054  -6.163942      6.419807 
1 1 1 -10 -10 45 o 19.377  4.3322  62.837    20.781    53.103    61.520    64.091    22.079    18.251  7.5990  20.503  4.1625  -2.252356      8.664346 
1 1 1 -10 -10 46 o 18.709  4.2256  54.276    20.675    0.0000    0.0000    54.276    20.675    ?       ?       18.709  4.2256  ?              ?        
1 1 1 -10 -10 47 o 14.385  5.1943  32.733    25.652    0.0000    0.0000    32.733    25.652    ?       ?       14.385  5.1943  ?              ?        
1 1 1 -10 -10 48 o 22.638  4.0330  80.810    23.557    0.0000    0.0000    80.810    23.557    ?       ?       22.638  4.0330  ?              ?        
1 1 1 -10 -9  1  o 120.328 2.6123  1941.25   84.194    1952.49   119.448   1930.15   118.691   120.674 3.6955  119.982 3.6933  0.6925201      5.224679 
1 1 1 -10 -9  2  o 183.405 3.6481  4514.49   179.188   4610.35   253.770   4419.18   253.051   185.350 5.1116  181.460 5.2064  3.890457       7.296249 
1 1 1 -10 -9  3  f 117.692 2.5810  1856.89   81.358    1837.75   115.003   1876.05   115.112   117.085 3.6671  118.299 3.6329  -1.214806      5.161902 
1 1 1 -10 -9  4  o 310.938 5.7919  13010.15  482.325   13225.91  682.126   12794.42  682.096   313.528 8.1227  308.347 8.2588  5.180908       11.58384 
1 1 1 -10 -9  5  o 59.282  1.7590  470.684   27.924    459.703   39.067    482.155   39.929    58.576  2.4900  59.989  2.4850  -1.413437      3.517903 
1 1 1 -10 -9  6  o 198.080 3.8266  5265.38   203.008   5323.14   286.619   5207.23   287.576   199.173 5.3726  196.987 5.4504  2.185883       7.653188 
1 1 1 -10 -9  7  f 372.966 8.3576  18592.17  790.968   18150.88  968.533   19475.83  1370.56   366.934 9.8546  378.999 13.501  -12.06570      16.71510 
1 1 1 -10 -9  8  o 120.161 3.5741  1935.42   115.033   1935.42   115.033   0.0000    0.0000    120.161 3.5741  ?       ?       ?              ?        
1 1 1 -10 -9  9  o 62.152  2.4769  517.565   41.233    517.565   41.233    0.0000    0.0000    62.152  2.4769  ?       ?       ?              ?        
1 1 1 -10 -9  10 o 194.195 5.3141  5061.52   276.413   5061.52   276.413   0.0000    0.0000    194.195 5.3141  ?       ?       ?              ?        
1 1 1 -10 -9  11 o 243.942 6.5340  7997.77   426.927   7997.77   426.927   0.0000    0.0000    243.942 6.5340  ?       ?       ?              ?        
1 1 1 -10 -9  12 o 15.849  3.4593  34.995    14.273    34.995    14.273    0.0000    0.0000    15.849  3.4593  ?       ?       ?              ?        
1 1 1 -10 -9  13 o 56.356  2.5854  425.621   39.026    425.621   39.026    0.0000    0.0000    56.356  2.5854  ?       ?       ?              ?        
1 1 1 -10 -9  14 o 130.134 5.5326  2275.50   192.846   0.0000    0.0000    2275.50   192.846   ?       ?       130.134 5.5326  ?              ?        
1 1 1 -10 -9  15 o 98.745  4.6241  1309.14   122.301   0.0000    0.0000    1309.14   122.301   ?       ?       98.745  4.6241  ?              ?        
1 1 1 -10 -9  16 o 133.149 3.9791  2379.16   141.909   0.0000    0.0000    2379.16   141.909   ?       ?       133.149 3.9791  ?              ?        
1 1 1 -10 -9  17 o 308.903 8.3142  12902.47  687.907   0.0000    0.0000    12902.47  687.907   ?       ?       308.903 8.3142  ?              ?        
1 1 1 -10 -9  18 o 94.655  3.2206  1201.76   81.653    0.0000    0.0000    1201.76   81.653    ?       ?       94.655  3.2206  ?              ?        
1 1 1 -10 -9  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -9  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -9  21 o 33.649  2.7937  152.887   24.951    0.0000    0.0000    152.887   24.951    ?       ?       33.649  2.7937  ?              ?        
1 1 1 -10 -9  22 o 144.192 4.2847  2793.84   165.481   0.0000    0.0000    2793.84   165.481   ?       ?       144.192 4.2847  ?              ?        
1 1 1 -10 -9  23 o 124.359 3.9560  2077.28   131.772   0.0000    0.0000    2077.28   131.772   ?       ?       124.359 3.9560  ?              ?        
1 1 1 -10 -9  24 o 65.732  2.5437  574.549   42.204    601.630   73.436    561.193   51.572    66.787  4.1253  64.677  2.9770  2.109932       5.087334 
1 1 1 -10 -9  25 o 73.397  2.1451  722.830   42.167    706.938   59.381    738.996   59.888    72.582  3.0544  74.212  3.0128  -1.629456      4.290282 
1 1 1 -10 -9  26 o 144.044 3.0917  2793.27   119.196   2895.53   167.747   2688.99   169.401   146.724 4.2684  141.364 4.4739  5.359909       6.183458 
1 1 1 -10 -9  27 o 182.590 3.7306  4498.56   182.441   4443.06   256.728   4555.19   259.313   181.451 5.2823  183.730 5.2693  -2.278915      7.461164 
1 1 1 -10 -9  28 o 112.039 2.6397  1688.79   79.199    1685.46   110.832   1692.27   113.214   111.931 3.6968  112.147 3.7690  -0.2157516     5.279366 
1 1 1 -10 -9  29 o 91.943  2.4115  1137.11   59.370    1123.82   82.811    1151.16   85.163    91.394  3.3828  92.492  3.4376  -1.098061      4.822926 
1 1 1 -10 -9  30 o 73.250  2.2596  722.881   44.275    737.917   61.463    706.663   63.834    74.054  3.0987  72.447  3.2896  1.606972       4.519236 
1 1 1 -10 -9  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -9  32 o 107.415 2.5352  1559.22   72.884    1590.19   105.527   1530.98   100.785   108.419 3.6338  106.410 3.5361  2.008972       5.070371 
1 1 1 -10 -9  33 o 56.988  1.9976  434.329   30.270    498.079   45.398    383.299   40.617    60.760  2.7895  53.217  2.8600  7.543667       3.995136 
1 1 1 -10 -9  34 o 76.006  2.1705  780.143   44.076    807.554   65.104    756.948   59.888    77.214  3.1479  74.797  2.9893  2.417046       4.341081 
1 1 1 -10 -9  35 o 57.994  2.0740  456.713   31.928    452.454   47.902    460.118   42.830    57.669  3.1127  58.320  2.7418  -0.6515388     4.148049 
1 1 1 -10 -9  36 o 89.085  2.3662  1079.26   56.293    1103.95   83.244    1058.45   76.415    89.973  3.4542  88.197  3.2347  1.776222       4.732325 
1 1 1 -10 -9  37 o 88.211  2.4246  1067.48   56.958    1021.70   84.067    1106.32   77.440    86.345  3.6350  90.076  3.2097  -3.730583      4.849267 
1 1 1 -10 -9  38 o 22.871  2.8501  79.649    15.871    55.210    25.434    95.232    20.310    19.462  4.8862  26.279  2.9356  -6.816954      5.700258 
1 1 1 -10 -9  39 f 11.499  2.9979  15.160    11.711    13.892    20.458    15.778    14.282    11.825  4.5620  11.173  3.8907  0.6517353      5.995736 
1 1 1 -10 -9  40 o 45.416  2.2885  288.325   27.057    273.973   42.180    298.360   35.269    44.266  3.5884  46.567  2.8413  -2.300663      4.577062 
1 1 1 -10 -9  41 o 34.749  2.4418  167.346   21.912    182.377   35.492    158.088   27.854    35.850  3.7517  33.648  3.1263  2.202625       4.883520 
1 1 1 -10 -9  42 o 23.503  4.0308  58.201    18.601    142.962   52.901    46.243    19.870    29.420  6.8424  17.586  4.2626  11.83368       8.061546 
1 1 1 -10 -9  43 o 12.997  3.4030  23.458    15.637    -44.0516  46.783    31.949    16.591    11.393  5.4452  14.600  4.0830  -3.207087      6.805989 
1 1 1 -10 -9  44 o 13.738  4.1902  1.4281    16.118    61.689    56.201    -3.9730   16.825    19.133  7.5103  8.3432  3.7184  10.78927       8.380452 
1 1 1 -10 -9  45 o 39.319  3.0548  220.233   31.919    0.0000    0.0000    220.233   31.919    ?       ?       39.319  3.0548  ?              ?        
1 1 1 -10 -9  46 o 8.5993  3.7455  0.0865    16.175    0.0000    0.0000    0.0865    16.175    ?       ?       8.5993  3.7455  ?              ?        
1 1 1 -10 -9  47 f 8.4973  3.8109  -3.7934   17.970    0.0000    0.0000    -3.7934   17.970    ?       ?       8.4973  3.8109  ?              ?        
1 1 1 -10 -9  48 o 7.5476  3.4679  -7.4982   16.034    0.0000    0.0000    -7.4982   16.034    ?       ?       7.5476  3.4679  ?              ?        
1 1 1 -10 -8  1  o 196.344 3.8636  5172.49   203.184   5163.09   287.758   5181.83   286.934   196.165 5.4767  196.522 5.4511  -0.3574371     7.727106 
1 1 1 -10 -8  2  o 216.107 4.1584  6267.32   240.693   6193.21   340.568   6341.29   340.215   214.828 5.9187  217.387 5.8429  -2.558655      8.316888 
1 1 1 -10 -8  3  o 302.500 5.6693  12298.35  459.315   12477.98  649.695   12118.86  649.445   304.716 7.9602  300.284 8.0746  4.431763       11.33860 
1 1 1 -10 -8  4  o 326.330 6.0504  14317.69  528.768   14593.96  747.715   14041.30  747.866   329.491 8.4723  323.168 8.6398  6.323090       12.10071 
1 1 1 -10 -8  5  o 135.600 2.8075  2464.75   101.957   2492.75   143.703   2436.38   144.679   136.376 3.9341  134.823 4.0064  1.552841       5.614962 
1 1 1 -10 -8  6  o 214.789 4.1261  6191.90   237.243   6425.20   335.176   5957.66   335.849   218.853 5.7178  210.725 5.9503  8.127533       8.252262 
1 1 1 -10 -8  7  o 417.521 7.7695  23512.82  867.667   24956.68  1227.73   22072.06  1226.41   430.417 10.649  404.625 11.316  25.79129       15.53900 
1 1 1 -10 -8  8  o 95.734  3.0744  1228.04   78.835    1228.04   78.835    0.0000    0.0000    95.734  3.0744  ?       ?       ?              ?        
1 1 1 -10 -8  9  o 103.072 3.2290  1423.63   89.144    1423.63   89.144    0.0000    0.0000    103.072 3.2290  ?       ?       ?              ?        
1 1 1 -10 -8  10 o 277.825 7.3715  10371.29  548.551   10371.29  548.551   0.0000    0.0000    277.825 7.3715  ?       ?       ?              ?        
1 1 1 -10 -8  11 o 181.467 5.0319  4417.56   244.580   4417.56   244.580   0.0000    0.0000    181.467 5.0319  ?       ?       ?              ?        
1 1 1 -10 -8  12 o 216.349 5.8848  6284.54   341.016   6284.54   341.016   0.0000    0.0000    216.349 5.8848  ?       ?       ?              ?        
1 1 1 -10 -8  13 o 238.478 6.4415  7642.56   411.459   7642.56   411.459   0.0000    0.0000    238.478 6.4415  ?       ?       ?              ?        
1 1 1 -10 -8  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -8  15 o 106.939 4.8932  1535.40   140.159   0.0000    0.0000    1535.40   140.159   ?       ?       106.939 4.8932  ?              ?        
1 1 1 -10 -8  16 o 105.108 3.3522  1481.50   94.373    0.0000    0.0000    1481.50   94.373    ?       ?       105.108 3.3522  ?              ?        
1 1 1 -10 -8  17 o 121.983 3.7623  1996.43   122.925   0.0000    0.0000    1996.43   122.925   ?       ?       121.983 3.7623  ?              ?        
1 1 1 -10 -8  18 o 121.200 3.7690  1971.23   122.353   0.0000    0.0000    1971.23   122.353   ?       ?       121.200 3.7690  ?              ?        
1 1 1 -10 -8  19 o 143.519 4.2799  2766.19   164.524   0.0000    0.0000    2766.19   164.524   ?       ?       143.519 4.2799  ?              ?        
1 1 1 -10 -8  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -8  21 o 217.298 6.0599  6363.58   352.701   0.0000    0.0000    6363.58   352.701   ?       ?       217.298 6.0599  ?              ?        
1 1 1 -10 -8  22 o 182.677 5.1616  4490.65   252.557   0.0000    0.0000    4490.65   252.557   ?       ?       182.677 5.1616  ?              ?        
1 1 1 -10 -8  23 o 59.135  2.8698  469.046   45.456    0.0000    0.0000    469.046   45.456    ?       ?       59.135  2.8698  ?              ?        
1 1 1 -10 -8  24 o 110.160 3.6791  1629.46   108.555   0.0000    0.0000    1629.46   108.555   ?       ?       110.160 3.6791  ?              ?        
1 1 1 -10 -8  25 o 105.969 3.0267  1479.42   82.155    1611.22   140.771   1411.34   101.171   109.425 4.8030  102.513 3.6846  6.911957       6.053477 
1 1 1 -10 -8  26 o 62.868  2.0921  530.138   35.222    516.736   49.214    544.211   50.431    62.054  2.9609  63.683  2.9565  -1.628548      4.184264 
1 1 1 -10 -8  27 o 25.411  2.6462  91.023    16.794    119.005   23.677    62.693    23.824    29.620  3.0268  21.201  4.3414  8.419373       5.292369 
1 1 1 -10 -8  28 o 98.271  2.4695  1298.53   64.977    1307.41   90.827    1289.21   92.993    98.621  3.4384  97.920  3.5456  0.7002716      4.939005 
1 1 1 -10 -8  29 o 65.034  2.5533  564.484   42.255    551.348   52.098    589.741   72.240    64.048  3.0368  66.019  4.1056  -1.970367      5.106683 
1 1 1 -10 -8  30 o 40.002  2.0367  213.746   21.541    239.996   32.751    193.734   28.597    42.147  2.9191  37.856  2.8410  4.291279       4.073396 
1 1 1 -10 -8  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -8  32 o 95.658  2.4008  1237.82   61.347    1208.10   89.493    1264.17   84.259    94.540  3.5342  96.777  3.2505  -2.237747      4.801697 
1 1 1 -10 -8  33 f 23.996  2.3808  76.290    14.287    113.030   22.563    51.697    18.460    28.785  2.9691  19.207  3.7226  9.577400       4.761602 
1 1 1 -10 -8  34 o 65.003  2.0938  569.777   36.289    588.748   54.333    554.500   48.759    65.952  3.0757  64.054  2.8420  1.897453       4.187683 
1 1 1 -10 -8  35 o 53.907  2.0462  388.967   29.213    444.127   44.754    348.020   38.560    57.188  2.9316  50.625  2.8553  6.563335       4.092320 
1 1 1 -10 -8  36 o 46.715  2.1141  298.741   25.954    288.488   39.704    306.390   34.295    45.937  3.2478  47.493  2.7072  -1.555737      4.228149 
1 1 1 -10 -8  37 o 68.761  2.2329  648.067   40.621    621.045   61.247    669.287   54.276    67.337  3.4069  70.184  2.8872  -2.846565      4.465747 
1 1 1 -10 -8  38 f 11.873  2.9314  17.556    12.114    2.4524    20.776    25.336    14.912    10.341  4.3676  13.405  3.9110  -3.064240      5.862761 
1 1 1 -10 -8  39 o 39.757  2.3817  224.533   23.959    197.409   38.662    241.442   30.527    37.520  3.9043  41.995  2.7287  -4.474949      4.763373 
1 1 1 -10 -8  40 o 34.613  3.3221  152.656   23.552    209.361   57.014    140.989   25.862    37.354  5.8939  31.872  3.0673  5.482149       6.644240 
1 1 1 -10 -8  41 o 28.093  4.0682  118.274   22.466    123.835   56.211    117.217   24.509    27.288  7.4717  28.897  3.2213  -1.609837      8.136497 
1 1 1 -10 -8  42 o 21.212  3.5899  65.031    19.669    0.0000    0.0000    65.031    19.669    ?       ?       21.212  3.5899  ?              ?        
1 1 1 -10 -8  43 o 9.9972  4.0741  7.5907    17.188    0.0000    0.0000    7.5907    17.188    ?       ?       9.9972  4.0741  ?              ?        
1 1 1 -10 -8  44 o 19.214  4.0568  55.708    20.223    0.0000    0.0000    55.708    20.223    ?       ?       19.214  4.0568  ?              ?        
1 1 1 -10 -8  45 o 30.939  3.2376  137.763   26.432    0.0000    0.0000    137.763   26.432    ?       ?       30.939  3.2376  ?              ?        
1 1 1 -10 -8  46 o 13.033  4.5001  25.179    19.087    0.0000    0.0000    25.179    19.087    ?       ?       13.033  4.5001  ?              ?        
1 1 1 -10 -8  47 f 16.027  4.6460  41.813    21.104    0.0000    0.0000    41.813    21.104    ?       ?       16.027  4.6460  ?              ?        
1 1 1 -10 -8  48 o 21.979  4.3116  78.106    24.476    0.0000    0.0000    78.106    24.476    ?       ?       21.979  4.3116  ?              ?        
1 1 1 -10 -7  1  f 449.010 8.4009  27177.49  1010.20   27734.37  1429.55   26622.01  1427.74   453.632 11.765  444.387 11.995  9.245453       16.80186 
1 1 1 -10 -7  2  o 334.822 6.3081  15068.20  565.553   14638.92  799.646   15497.84  799.980   330.033 9.0459  339.611 8.7945  -9.577026      12.61628 
1 1 1 -10 -7  3  o 275.720 5.1312  10203.72  378.922   10322.55  535.821   10084.84  535.932   277.329 7.2133  274.111 7.2995  3.218842       10.26231 
1 1 1 -10 -7  4  o 227.687 4.3138  6953.25   263.077   6956.34   371.611   6950.14   372.484   227.738 6.0921  227.636 6.1091  0.1025543      8.627546 
1 1 1 -10 -7  5  f 245.219 4.6119  8067.96   302.863   8229.90   427.891   7905.39   428.735   247.689 6.4497  242.748 6.5939  4.941544       9.223785 
1 1 1 -10 -7  6  o 694.896 12.881  65540.59  2396.90   67174.63  3390.47   63908.01  3388.97   703.669 17.989  686.123 18.441  17.54645       25.76153 
1 1 1 -10 -7  7  o 178.937 3.5001  4292.60   167.745   4334.93   236.851   4250.01   237.605   179.823 4.9174  178.051 4.9822  1.772430       7.000273 
1 1 1 -10 -7  8  o 294.374 6.8711  11825.37  507.377   12167.85  622.338   11146.53  876.189   301.042 7.7181  287.706 11.370  13.33646       13.74211 
1 1 1 -10 -7  9  o 307.005 8.0944  12659.83  665.610   12659.83  665.610   0.0000    0.0000    307.005 8.0944  ?       ?       ?              ?        
1 1 1 -10 -7  10 o 219.411 5.9418  6458.40   349.196   6458.40   349.196   0.0000    0.0000    219.411 5.9418  ?       ?       ?              ?        
1 1 1 -10 -7  11 o 158.413 4.5113  3364.44   191.418   3364.44   191.418   0.0000    0.0000    158.413 4.5113  ?       ?       ?              ?        
1 1 1 -10 -7  12 o 109.506 3.4573  1607.11   101.407   1607.11   101.407   0.0000    0.0000    109.506 3.4573  ?       ?       ?              ?        
1 1 1 -10 -7  13 o 67.882  2.7397  617.432   49.813    617.432   49.813    0.0000    0.0000    67.882  2.7397  ?       ?       ?              ?        
1 1 1 -10 -7  14 o 99.411  4.6684  1325.81   124.307   1325.81   124.307   0.0000    0.0000    99.411  4.6684  ?       ?       ?              ?        
1 1 1 -10 -7  15 o 125.124 5.4629  2102.49   183.084   0.0000    0.0000    2102.49   183.084   ?       ?       125.124 5.4629  ?              ?        
1 1 1 -10 -7  16 o 328.345 8.7763  14556.32  771.845   0.0000    0.0000    14556.32  771.845   ?       ?       328.345 8.7763  ?              ?        
1 1 1 -10 -7  17 o 357.741 9.5086  17324.83  911.112   0.0000    0.0000    17324.83  911.112   ?       ?       357.741 9.5086  ?              ?        
1 1 1 -10 -7  18 o 117.523 3.6747  1853.06   115.673   0.0000    0.0000    1853.06   115.673   ?       ?       117.523 3.6747  ?              ?        
1 1 1 -10 -7  19 o 142.831 4.2225  2739.29   161.541   0.0000    0.0000    2739.29   161.541   ?       ?       142.831 4.2225  ?              ?        
1 1 1 -10 -7  20 o 157.737 4.5777  3343.16   193.404   0.0000    0.0000    3343.16   193.404   ?       ?       157.737 4.5777  ?              ?        
1 1 1 -10 -7  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -7  22 o 132.174 4.0570  2346.49   143.628   0.0000    0.0000    2346.49   143.628   ?       ?       132.174 4.0570  ?              ?        
1 1 1 -10 -7  23 o 119.279 3.8191  1910.55   122.016   0.0000    0.0000    1910.55   122.016   ?       ?       119.279 3.8191  ?              ?        
1 1 1 -10 -7  24 o 290.790 7.9249  11460.87  617.251   0.0000    0.0000    11460.87  617.251   ?       ?       290.790 7.9249  ?              ?        
1 1 1 -10 -7  25 o 92.793  3.4152  1155.87   84.882    0.0000    0.0000    1155.87   84.882    ?       ?       92.793  3.4152  ?              ?        
1 1 1 -10 -7  26 o 130.473 4.1165  2288.41   143.860   0.0000    0.0000    2288.41   143.860   ?       ?       130.473 4.1165  ?              ?        
1 1 1 -10 -7  27 o 215.634 5.1266  6247.79   279.155   6499.63   487.534   6124.95   340.497   218.376 8.3351  212.891 5.9713  5.484680       10.25329 
1 1 1 -10 -7  28 o 58.369  2.5603  464.220   35.851    448.122   66.720    470.754   42.510    57.516  4.3634  59.223  2.6798  -1.707474      5.120664 
1 1 1 -10 -7  29 o 45.335  2.1819  290.358   25.003    203.348   37.142    362.458   33.811    38.703  3.6251  51.966  2.4291  -13.26227      4.363702 
1 1 1 -10 -7  30 o 48.923  2.0313  318.008   26.290    375.767   39.978    274.000   34.896    52.796  2.8375  45.051  2.9075  7.744934       4.062572 
1 1 1 -10 -7  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -7  32 o 60.030  2.0387  482.103   32.622    519.961   49.161    452.320   43.605    62.111  2.9550  57.949  2.8093  4.162949       4.077312 
1 1 1 -10 -7  33 o 103.205 2.5357  1442.70   69.969    1453.35   102.219   1433.30   95.978    103.529 3.6862  102.880 3.4830  0.6484070      5.071431 
1 1 1 -10 -7  34 o 53.847  2.0489  388.823   29.246    430.033   44.625    357.799   38.720    56.312  2.9691  51.383  2.8242  4.928928       4.097816 
1 1 1 -10 -7  35 o 44.354  2.1003  267.175   24.496    270.967   37.839    264.440   32.140    44.572  3.1906  44.136  2.7322  0.4357567      4.200551 
1 1 1 -10 -7  36 o 35.496  2.1991  166.535   20.326    211.777   32.411    137.206   26.095    39.364  3.0990  31.629  3.1210  7.735142       4.398242 
1 1 1 -10 -7  37 o 25.824  3.5106  79.271    18.760    126.171   45.963    69.896    20.549    29.304  6.0561  22.343  3.5527  6.960810       7.021229 
1 1 1 -10 -7  38 o 65.172  2.7450  538.023   41.864    695.507   86.473    489.811   47.845    70.412  4.6105  59.932  2.9805  10.48026       5.489991 
1 1 1 -10 -7  39 o 40.625  2.8460  226.468   30.773    0.0000    0.0000    226.468   30.773    ?       ?       40.625  2.8460  ?              ?        
1 1 1 -10 -7  40 f 8.7168  3.6293  3.0489    14.033    0.0000    0.0000    3.0489    14.033    ?       ?       8.7168  3.6293  ?              ?        
1 1 1 -10 -7  41 o 16.535  4.2263  40.388    18.789    0.0000    0.0000    40.388    18.789    ?       ?       16.535  4.2263  ?              ?        
1 1 1 -10 -7  42 o 8.0678  3.5323  -1.9184   14.552    0.0000    0.0000    -1.9184   14.552    ?       ?       8.0678  3.5323  ?              ?        
1 1 1 -10 -7  43 o 29.153  3.2405  121.147   24.875    0.0000    0.0000    121.147   24.875    ?       ?       29.153  3.2405  ?              ?        
1 1 1 -10 -7  44 o 9.1824  3.8503  4.1987    15.957    0.0000    0.0000    4.1987    15.957    ?       ?       9.1824  3.8503  ?              ?        
1 1 1 -10 -7  45 o 22.957  3.8595  78.640    22.890    0.0000    0.0000    78.640    22.890    ?       ?       22.957  3.8595  ?              ?        
1 1 1 -10 -7  46 o 14.597  4.6502  33.374    20.483    0.0000    0.0000    33.374    20.483    ?       ?       14.597  4.6502  ?              ?        
1 1 1 -10 -7  47 o 10.843  4.4702  11.112    20.993    0.0000    0.0000    11.112    20.993    ?       ?       10.843  4.4702  ?              ?        
1 1 1 -10 -7  48 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -6  1  o 320.222 6.0005  13769.95  514.642   13954.84  728.320   13585.57  727.308   322.374 8.4348  318.070 8.5370  4.304108       12.00109 
1 1 1 -10 -6  2  o 514.339 19.030  35887.08  2621.61   35887.08  2621.61   0.0000    0.0000    514.339 19.030  ?       ?       ?              ?        
1 1 1 -10 -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -6  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -6  6  o 289.756 143.352 14140.89  41184.96  14140.89  41184.96  0.0000    0.0000    289.756 143.352 ?       ?       ?              ?        
1 1 1 -10 -6  7  o 216.042 4.0900  6259.27   236.617   6420.45   334.585   6098.00   334.668   218.828 5.7084  213.256 5.8590  5.572327       8.180075 
1 1 1 -10 -6  8  f 109.392 2.9596  1649.90   81.163    1746.73   100.340   1466.64   138.035   114.182 3.2809  104.602 4.9268  9.580200       5.919206 
1 1 1 -10 -6  9  o 106.375 3.3403  1516.08   95.174    1516.08   95.174    0.0000    0.0000    106.375 3.3403  ?       ?       ?              ?        
1 1 1 -10 -6  10 o 237.061 6.3888  7538.88   405.668   7538.88   405.668   0.0000    0.0000    237.061 6.3888  ?       ?       ?              ?        
1 1 1 -10 -6  11 f 91.849  3.1066  1130.31   76.428    1130.31   76.428    0.0000    0.0000    91.849  3.1066  ?       ?       ?              ?        
1 1 1 -10 -6  12 o 316.579 8.3622  13470.00  709.072   13470.00  709.072   0.0000    0.0000    316.579 8.3622  ?       ?       ?              ?        
1 1 1 -10 -6  13 o 251.464 6.7632  8491.34   455.531   8491.34   455.531   0.0000    0.0000    251.464 6.7632  ?       ?       ?              ?        
1 1 1 -10 -6  14 o 383.700 14.403  19998.36  1480.23   19998.36  1480.23   0.0000    0.0000    383.700 14.403  ?       ?       ?              ?        
1 1 1 -10 -6  15 o 44.229  3.7038  264.118   43.474    0.0000    0.0000    264.118   43.474    ?       ?       44.229  3.7038  ?              ?        
1 1 1 -10 -6  16 o 135.481 5.8191  2466.22   211.166   0.0000    0.0000    2466.22   211.166   ?       ?       135.481 5.8191  ?              ?        
1 1 1 -10 -6  17 o 303.239 8.1687  12406.66  663.483   0.0000    0.0000    12406.66  663.483   ?       ?       303.239 8.1687  ?              ?        
1 1 1 -10 -6  18 o 42.156  2.6087  239.114   29.311    0.0000    0.0000    239.114   29.311    ?       ?       42.156  2.6087  ?              ?        
1 1 1 -10 -6  19 o 114.268 3.6652  1752.01   112.179   0.0000    0.0000    1752.01   112.179   ?       ?       114.268 3.6652  ?              ?        
1 1 1 -10 -6  20 f 224.052 6.2433  6763.17   374.674   0.0000    0.0000    6763.17   374.674   ?       ?       224.052 6.2433  ?              ?        
1 1 1 -10 -6  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -6  22 o 186.540 5.2907  4683.13   264.346   0.0000    0.0000    4683.13   264.346   ?       ?       186.540 5.2907  ?              ?        
1 1 1 -10 -6  23 o 82.148  3.1467  905.419   69.239    0.0000    0.0000    905.419   69.239    ?       ?       82.148  3.1467  ?              ?        
1 1 1 -10 -6  24 o 140.747 4.2986  2662.37   162.052   0.0000    0.0000    2662.37   162.052   ?       ?       140.747 4.2986  ?              ?        
1 1 1 -10 -6  25 o 210.980 5.7926  6001.41   327.347   0.0000    0.0000    6001.41   327.347   ?       ?       210.980 5.7926  ?              ?        
1 1 1 -10 -6  26 o 133.324 4.0746  2389.24   145.507   0.0000    0.0000    2389.24   145.507   ?       ?       133.324 4.0746  ?              ?        
1 1 1 -10 -6  27 o 108.302 3.5202  1575.71   102.117   0.0000    0.0000    1575.71   102.117   ?       ?       108.302 3.5202  ?              ?        
1 1 1 -10 -6  28 o 134.460 4.0117  2432.98   144.480   0.0000    0.0000    2432.98   144.480   ?       ?       134.460 4.0117  ?              ?        
1 1 1 -10 -6  29 o 128.199 3.9829  2214.07   136.766   0.0000    0.0000    2214.07   136.766   ?       ?       128.199 3.9829  ?              ?        
1 1 1 -10 -6  30 o 64.012  2.5680  521.359   39.693    628.745   77.133    482.676   46.294    68.106  4.2495  59.919  2.8845  8.186642       5.136029 
1 1 1 -10 -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -6  32 o 55.498  2.7506  422.694   35.335    409.918   69.296    427.184   41.077    54.671  4.7803  56.325  2.7228  -1.654099      5.501291 
1 1 1 -10 -6  33 o 55.711  2.5723  400.684   33.956    470.815   67.409    376.836   39.308    58.638  4.3223  52.784  2.7902  5.854031       5.144687 
1 1 1 -10 -6  34 o 130.904 3.6854  2342.19   119.383   2426.26   215.944   2305.19   143.267   131.846 6.1148  129.961 4.1157  1.885101       7.370898 
1 1 1 -10 -6  35 f 21.484  3.6135  50.795    15.912    94.861    41.543    43.218    17.226    25.496  6.1535  17.472  3.7899  8.023752       7.226964 
1 1 1 -10 -6  36 o 80.628  3.0934  883.312   66.805    0.0000    0.0000    883.312   66.805    ?       ?       80.628  3.0934  ?              ?        
1 1 1 -10 -6  37 o 64.961  2.8796  573.398   50.103    0.0000    0.0000    573.398   50.103    ?       ?       64.961  2.8796  ?              ?        
1 1 1 -10 -6  38 o 27.495  3.1004  104.485   22.434    0.0000    0.0000    104.485   22.434    ?       ?       27.495  3.1004  ?              ?        
1 1 1 -10 -6  39 o 15.263  4.0873  33.625    17.043    0.0000    0.0000    33.625    17.043    ?       ?       15.263  4.0873  ?              ?        
1 1 1 -10 -6  40 o 10.848  4.0132  13.489    15.453    0.0000    0.0000    13.489    15.453    ?       ?       10.848  4.0132  ?              ?        
1 1 1 -10 -6  41 o 18.524  3.9620  50.204    19.063    0.0000    0.0000    50.204    19.063    ?       ?       18.524  3.9620  ?              ?        
1 1 1 -10 -6  42 o 18.694  3.9442  51.602    19.128    0.0000    0.0000    51.602    19.128    ?       ?       18.694  3.9442  ?              ?        
1 1 1 -10 -6  43 o 23.635  3.5655  81.133    21.870    0.0000    0.0000    81.133    21.870    ?       ?       23.635  3.5655  ?              ?        
1 1 1 -10 -6  44 o 18.572  4.2128  52.593    20.475    0.0000    0.0000    52.593    20.475    ?       ?       18.572  4.2128  ?              ?        
1 1 1 -10 -6  45 f 26.480  3.6053  102.926   24.907    0.0000    0.0000    102.926   24.907    ?       ?       26.480  3.6053  ?              ?        
1 1 1 -10 -6  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -6  47 o 19.563  6.8286  75.928    44.008    75.928    44.008    0.0000    0.0000    19.563  6.8286  ?       ?       ?              ?        
1 1 1 -10 -5  1  o 446.247 8.1660  26788.52  975.839   27462.66  1380.91   26116.06  1379.18   451.879 11.409  440.615 11.686  11.26373       16.33207 
1 1 1 -10 -5  2  o 540.859 9.9155  39428.36  1436.05   40511.24  2031.68   38347.17  2030.09   548.327 13.833  533.391 14.210  14.93555       19.83109 
1 1 1 -10 -5  3  o 535.702 9.7594  38662.79  1400.35   38685.13  1980.00   38640.44  1980.78   535.859 13.795  535.546 13.809  0.3127441      19.51883 
1 1 1 -10 -5  4  o 765.004 14.101  79360.16  2888.69   81403.63  4086.19   77318.63  4084.24   774.970 19.685  755.038 20.195  19.93152       28.20234 
1 1 1 -10 -5  5  o 55.891  1.6709  419.193   24.966    441.780   34.964    395.695   35.662    57.430  2.2730  54.351  2.4496  3.078587       3.341716 
1 1 1 -10 -5  6  o 282.541 96.569  7114.63   21567.06  7265.98   26414.75  6811.96   37353.53  276.101 131.232 288.982 141.705 -12.88010      193.1380 
1 1 1 -10 -5  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -5  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -5  9  o 524.210 13.655  37038.55  1917.29   37038.55  1917.29   0.0000    0.0000    524.210 13.655  ?       ?       ?              ?        
1 1 1 -10 -5  10 f 195.500 5.4009  5124.10   282.815   5124.10   282.815   0.0000    0.0000    195.500 5.4009  ?       ?       ?              ?        
1 1 1 -10 -5  11 o 281.991 7.5370  10673.56  569.279   10673.56  569.279   0.0000    0.0000    281.991 7.5370  ?       ?       ?              ?        
1 1 1 -10 -5  12 o 134.102 3.9703  2410.09   142.608   2410.09   142.608   0.0000    0.0000    134.102 3.9703  ?       ?       ?              ?        
1 1 1 -10 -5  13 o 36.404  2.5362  178.403   24.575    178.403   24.575    0.0000    0.0000    36.404  2.5362  ?       ?       ?              ?        
1 1 1 -10 -5  14 o 144.480 4.2443  2798.68   164.247   2798.68   164.247   0.0000    0.0000    144.480 4.2443  ?       ?       ?              ?        
1 1 1 -10 -5  15 o 280.360 10.676  10615.11  801.727   10615.11  801.727   0.0000    0.0000    280.360 10.676  ?       ?       ?              ?        
1 1 1 -10 -5  16 o 134.412 5.8059  2426.79   209.024   0.0000    0.0000    2426.79   209.024   ?       ?       134.412 5.8059  ?              ?        
1 1 1 -10 -5  17 o 126.467 3.9006  2145.42   132.130   0.0000    0.0000    2145.42   132.130   ?       ?       126.467 3.9006  ?              ?        
1 1 1 -10 -5  18 o 289.621 7.8034  11316.84  605.341   0.0000    0.0000    11316.84  605.341   ?       ?       289.621 7.8034  ?              ?        
1 1 1 -10 -5  19 o 107.973 3.5618  1564.05   103.009   0.0000    0.0000    1564.05   103.009   ?       ?       107.973 3.5618  ?              ?        
1 1 1 -10 -5  20 o 71.209  2.9187  679.971   55.668    0.0000    0.0000    679.971   55.668    ?       ?       71.209  2.9187  ?              ?        
1 1 1 -10 -5  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -5  22 o 145.607 4.3693  2848.85   170.407   0.0000    0.0000    2848.85   170.407   ?       ?       145.607 4.3693  ?              ?        
1 1 1 -10 -5  23 o 154.390 4.4794  3204.02   185.239   0.0000    0.0000    3204.02   185.239   ?       ?       154.390 4.4794  ?              ?        
1 1 1 -10 -5  24 o 186.256 5.2798  4670.69   263.403   0.0000    0.0000    4670.69   263.403   ?       ?       186.256 5.2798  ?              ?        
1 1 1 -10 -5  25 o 194.902 5.4027  5117.02   282.042   0.0000    0.0000    5117.02   282.042   ?       ?       194.902 5.4027  ?              ?        
1 1 1 -10 -5  26 o 108.729 3.4890  1587.45   101.609   0.0000    0.0000    1587.45   101.609   ?       ?       108.729 3.4890  ?              ?        
1 1 1 -10 -5  27 o 208.612 5.7371  5876.20   320.567   0.0000    0.0000    5876.20   320.567   ?       ?       208.612 5.7371  ?              ?        
1 1 1 -10 -5  28 o 142.388 4.1881  2729.54   159.727   0.0000    0.0000    2729.54   159.727   ?       ?       142.388 4.1881  ?              ?        
1 1 1 -10 -5  29 o 64.527  2.7925  559.246   48.264    0.0000    0.0000    559.246   48.264    ?       ?       64.527  2.7925  ?              ?        
1 1 1 -10 -5  30 o 13.262  4.2079  23.331    16.785    0.0000    0.0000    23.331    16.785    ?       ?       13.262  4.2079  ?              ?        
1 1 1 -10 -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -5  32 o 82.187  3.0652  910.933   67.475    0.0000    0.0000    910.933   67.475    ?       ?       82.187  3.0652  ?              ?        
1 1 1 -10 -5  33 o 10.776  3.8179  13.715    13.793    0.0000    0.0000    13.715    13.793    ?       ?       10.776  3.8179  ?              ?        
1 1 1 -10 -5  34 o 19.146  3.3401  51.109    16.505    0.0000    0.0000    51.109    16.505    ?       ?       19.146  3.3401  ?              ?        
1 1 1 -10 -5  35 o 20.608  3.2410  59.013    17.299    0.0000    0.0000    59.013    17.299    ?       ?       20.608  3.2410  ?              ?        
1 1 1 -10 -5  36 o 80.122  3.1105  872.563   66.753    0.0000    0.0000    872.563   66.753    ?       ?       80.122  3.1105  ?              ?        
1 1 1 -10 -5  37 f 12.646  3.9856  21.842    15.077    0.0000    0.0000    21.842    15.077    ?       ?       12.646  3.9856  ?              ?        
1 1 1 -10 -5  38 o 16.464  3.9558  38.944    17.227    0.0000    0.0000    38.944    17.227    ?       ?       16.464  3.9558  ?              ?        
1 1 1 -10 -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -5  40 o 28.148  3.1395  110.566   23.267    0.0000    0.0000    110.566   23.267    ?       ?       28.148  3.1395  ?              ?        
1 1 1 -10 -5  41 o 7.6737  3.4141  -4.2340   14.119    0.0000    0.0000    -4.2340   14.119    ?       ?       7.6737  3.4141  ?              ?        
1 1 1 -10 -5  42 o 27.975  3.2848  111.195   24.145    0.0000    0.0000    111.195   24.145    ?       ?       27.975  3.2848  ?              ?        
1 1 1 -10 -5  43 o 43.061  3.0527  261.644   34.981    0.0000    0.0000    261.644   34.981    ?       ?       43.061  3.0527  ?              ?        
1 1 1 -10 -5  44 o 34.765  4.0904  179.380   37.361    0.0000    0.0000    179.380   37.361    ?       ?       34.765  4.0904  ?              ?        
1 1 1 -10 -5  45 o 15.694  6.2150  35.131    38.802    35.131    38.802    0.0000    0.0000    15.694  6.2150  ?       ?       ?              ?        
1 1 1 -10 -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -5  47 o 12.914  5.5810  15.584    35.351    15.584    35.351    0.0000    0.0000    12.914  5.5810  ?       ?       ?              ?        
1 1 1 -10 -4  1  o 351.863 6.5288  16628.46  615.009   17250.48  870.467   16008.46  869.043   358.451 9.0664  345.274 9.3970  13.17700       13.05764 
1 1 1 -10 -4  2  o 590.682 10.780  47060.74  1704.96   48431.85  2411.98   45691.45  2410.38   599.341 15.025  582.023 15.462  17.31818       21.55947 
1 1 1 -10 -4  3  o 441.314 8.1299  26185.24  960.987   26084.93  1358.37   26285.75  1359.72   440.466 11.514  442.163 11.481  -1.697174      16.25970 
1 1 1 -10 -4  4  o 94.315  2.1723  1192.75   54.823    1242.57   77.088    1141.77   77.983    96.310  2.9883  92.320  3.1537  3.990501       4.344618 
1 1 1 -10 -4  5  o 433.551 7.9408  25274.31  921.712   24372.84  1302.54   26178.44  1304.45   425.778 11.421  441.324 11.035  -15.54623      15.88159 
1 1 1 -10 -4  6  o 312.450 5.8384  13101.35  488.598   13007.75  691.344   13194.75  690.620   311.333 8.2905  313.568 8.2228  -2.235168      11.67675 
1 1 1 -10 -4  7  o 375.397 6.8944  18928.06  693.178   19223.64  981.450   18633.87  979.157   378.329 9.6852  372.466 9.8147  5.862946       13.78883 
1 1 1 -10 -4  8  o 239.216 100.043 7874.96   10730.43  7874.96   10730.43  0.0000    0.0000    239.216 100.043 ?       ?       ?              ?        
1 1 1 -10 -4  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -4  10 o 273.851 7.3719  10062.18  540.734   10062.18  540.734   0.0000    0.0000    273.851 7.3719  ?       ?       ?              ?        
1 1 1 -10 -4  11 o 466.323 12.305  29284.84  1536.91   29284.84  1536.91   0.0000    0.0000    466.323 12.305  ?       ?       ?              ?        
1 1 1 -10 -4  12 o 268.111 7.1567  9646.96   513.943   9646.96   513.943   0.0000    0.0000    268.111 7.1567  ?       ?       ?              ?        
1 1 1 -10 -4  13 o 331.684 8.7678  14786.58  778.940   14786.58  778.940   0.0000    0.0000    331.684 8.7678  ?       ?       ?              ?        
1 1 1 -10 -4  14 o 253.747 6.8724  8645.98   467.090   8645.98   467.090   0.0000    0.0000    253.747 6.8724  ?       ?       ?              ?        
1 1 1 -10 -4  15 o 86.013  3.0385  991.434   70.003    991.434   70.003    0.0000    0.0000    86.013  3.0385  ?       ?       ?              ?        
1 1 1 -10 -4  16 o 213.515 8.3556  6141.07   477.852   6141.07   477.852   0.0000    0.0000    213.515 8.3556  ?       ?       ?              ?        
1 1 1 -10 -4  17 o 127.160 5.6214  2172.43   191.461   0.0000    0.0000    2172.43   191.461   ?       ?       127.160 5.6214  ?              ?        
1 1 1 -10 -4  18 o 101.652 3.4351  1385.79   93.527    0.0000    0.0000    1385.79   93.527    ?       ?       101.652 3.4351  ?              ?        
1 1 1 -10 -4  19 o 309.884 8.3720  12982.75  694.888   0.0000    0.0000    12982.75  694.888   ?       ?       309.884 8.3720  ?              ?        
1 1 1 -10 -4  20 o 192.276 5.3610  4972.51   276.098   0.0000    0.0000    4972.51   276.098   ?       ?       192.276 5.3610  ?              ?        
1 1 1 -10 -4  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -4  22 o 57.187  3.5326  440.597   53.846    0.0000    0.0000    440.597   53.846    ?       ?       57.187  3.5326  ?              ?        
1 1 1 -10 -4  23 o 250.316 6.7073  8460.66   449.700   0.0000    0.0000    8460.66   449.700   ?       ?       250.316 6.7073  ?              ?        
1 1 1 -10 -4  24 o 71.705  2.8427  689.641   54.596    0.0000    0.0000    689.641   54.596    ?       ?       71.705  2.8427  ?              ?        
1 1 1 -10 -4  25 o 121.927 3.8538  1996.87   125.858   0.0000    0.0000    1996.87   125.858   ?       ?       121.927 3.8538  ?              ?        
1 1 1 -10 -4  26 o 43.778  2.6136  257.961   30.506    0.0000    0.0000    257.961   30.506    ?       ?       43.778  2.6136  ?              ?        
1 1 1 -10 -4  27 o 70.510  2.8323  667.172   53.491    0.0000    0.0000    667.172   53.491    ?       ?       70.510  2.8323  ?              ?        
1 1 1 -10 -4  28 o 43.277  2.6308  252.283   30.351    0.0000    0.0000    252.283   30.351    ?       ?       43.277  2.6308  ?              ?        
1 1 1 -10 -4  29 o 38.297  2.6466  197.877   26.981    0.0000    0.0000    197.877   26.981    ?       ?       38.297  2.6466  ?              ?        
1 1 1 -10 -4  30 o 58.285  2.7582  456.606   43.060    0.0000    0.0000    456.606   43.060    ?       ?       58.285  2.7582  ?              ?        
1 1 1 -10 -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -4  32 o 68.607  2.9214  634.492   53.685    0.0000    0.0000    634.492   53.685    ?       ?       68.607  2.9214  ?              ?        
1 1 1 -10 -4  33 o 101.879 3.3961  1405.50   92.673    0.0000    0.0000    1405.50   92.673    ?       ?       101.879 3.3961  ?              ?        
1 1 1 -10 -4  34 o 47.043  2.7245  299.940   34.183    0.0000    0.0000    299.940   34.183    ?       ?       47.043  2.7245  ?              ?        
1 1 1 -10 -4  35 f 25.883  2.9769  91.959    20.262    0.0000    0.0000    91.959    20.262    ?       ?       25.883  2.9769  ?              ?        
1 1 1 -10 -4  36 o 66.021  2.8932  591.444   51.163    0.0000    0.0000    591.444   51.163    ?       ?       66.021  2.8932  ?              ?        
1 1 1 -10 -4  37 o 32.318  2.9014  143.127   24.848    0.0000    0.0000    143.127   24.848    ?       ?       32.318  2.9014  ?              ?        
1 1 1 -10 -4  38 o 28.577  3.0039  112.675   22.648    0.0000    0.0000    112.675   22.648    ?       ?       28.577  3.0039  ?              ?        
1 1 1 -10 -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -4  40 o 14.650  4.2720  31.148    17.795    0.0000    0.0000    31.148    17.795    ?       ?       14.650  4.2720  ?              ?        
1 1 1 -10 -4  41 o 22.874  3.6339  75.177    21.520    0.0000    0.0000    75.177    21.520    ?       ?       22.874  3.6339  ?              ?        
1 1 1 -10 -4  42 o 21.158  4.6294  67.995    25.506    0.0000    0.0000    67.995    25.506    ?       ?       21.158  4.6294  ?              ?        
1 1 1 -10 -4  43 o 44.880  5.6648  318.608   66.579    318.608   66.579    0.0000    0.0000    44.880  5.6648  ?       ?       ?              ?        
1 1 1 -10 -4  44 o 15.208  6.0358  30.790    36.672    30.790    36.672    0.0000    0.0000    15.208  6.0358  ?       ?       ?              ?        
1 1 1 -10 -4  45 o 24.087  6.8428  105.430   46.219    105.430   46.219    0.0000    0.0000    24.087  6.8428  ?       ?       ?              ?        
1 1 1 -10 -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -4  47 o 29.874  5.6485  156.040   43.542    156.040   43.542    0.0000    0.0000    29.874  5.6485  ?       ?       ?              ?        
1 1 1 -10 -3  1  o 407.155 7.5091  22277.06  818.781   21819.81  1157.68   22734.70  1158.18   402.961 10.726  411.349 10.512  -8.388580      15.01814 
1 1 1 -10 -3  2  o 520.775 9.5697  36516.41  1334.80   36074.96  1886.90   36958.61  1888.48   517.609 13.610  523.941 13.457  -6.332520      19.13939 
1 1 1 -10 -3  3  o 212.068 4.0563  6028.68   230.398   5951.33   325.193   6106.65   326.477   210.702 5.7621  213.435 5.7108  -2.733673      8.112679 
1 1 1 -10 -3  4  o 615.674 11.277  51143.57  1859.42   50209.25  2628.60   52079.32  2630.63   610.006 16.088  621.343 15.807  -11.33667      22.55379 
1 1 1 -10 -3  5  f 242.094 4.5242  7859.29   293.308   8059.89   415.391   7659.82   414.212   245.178 6.3254  239.010 6.4702  6.168839       9.048408 
1 1 1 -10 -3  6  o 432.984 7.9417  25200.10  921.028   25325.62  1303.66   25075.01  1301.40   434.063 11.213  431.905 11.250  2.158203       15.88343 
1 1 1 -10 -3  7  o 256.555 4.8490  8827.40   333.203   8795.87   472.458   8858.61   469.992   256.098 6.8876  257.013 6.8273  -0.9149475     9.697982 
1 1 1 -10 -3  8  o 322.510 6.0160  13960.57  519.638   14205.27  736.019   13717.39  733.745   325.333 8.4464  319.687 8.5690  5.645569       12.03203 
1 1 1 -10 -3  9  o 316.211 8.3909  13420.34  710.681   13420.34  710.681   0.0000    0.0000    316.211 8.3909  ?       ?       ?              ?        
1 1 1 -10 -3  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -3  11 o 139.757 4.0775  2617.33   152.637   2617.33   152.637   0.0000    0.0000    139.757 4.0775  ?       ?       ?              ?        
1 1 1 -10 -3  12 o 99.874  3.2591  1336.42   87.185    1336.42   87.185    0.0000    0.0000    99.874  3.2591  ?       ?       ?              ?        
1 1 1 -10 -3  13 o 268.124 7.2194  9650.07   518.469   9650.07   518.469   0.0000    0.0000    268.124 7.2194  ?       ?       ?              ?        
1 1 1 -10 -3  14 o 267.552 7.1873  9613.23   515.067   9613.23   515.067   0.0000    0.0000    267.552 7.1873  ?       ?       ?              ?        
1 1 1 -10 -3  15 o 251.234 6.7820  8478.54   456.380   8478.54   456.380   0.0000    0.0000    251.234 6.7820  ?       ?       ?              ?        
1 1 1 -10 -3  16 o 141.290 4.1958  2677.30   158.787   2677.30   158.787   0.0000    0.0000    141.290 4.1958  ?       ?       ?              ?        
1 1 1 -10 -3  17 o 105.141 4.9104  1484.03   138.287   1484.03   138.287   0.0000    0.0000    105.141 4.9104  ?       ?       ?              ?        
1 1 1 -10 -3  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -3  19 o 132.769 3.9984  2365.87   142.191   0.0000    0.0000    2365.87   142.191   ?       ?       132.769 3.9984  ?              ?        
1 1 1 -10 -3  20 f 125.282 3.7668  2106.48   126.401   0.0000    0.0000    2106.48   126.401   ?       ?       125.282 3.7668  ?              ?        
1 1 1 -10 -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -3  22 o 151.781 4.4617  3095.98   181.385   0.0000    0.0000    3095.98   181.385   ?       ?       151.781 4.4617  ?              ?        
1 1 1 -10 -3  23 o 163.715 4.7348  3604.34   207.623   0.0000    0.0000    3604.34   207.623   ?       ?       163.715 4.7348  ?              ?        
1 1 1 -10 -3  24 o 94.519  3.2399  1198.85   82.023    0.0000    0.0000    1198.85   82.023    ?       ?       94.519  3.2399  ?              ?        
1 1 1 -10 -3  25 o 226.161 6.1701  6902.51   373.763   0.0000    0.0000    6902.51   373.763   ?       ?       226.161 6.1701  ?              ?        
1 1 1 -10 -3  26 o 74.851  2.9005  751.734   58.151    0.0000    0.0000    751.734   58.151    ?       ?       74.851  2.9005  ?              ?        
1 1 1 -10 -3  27 o 75.343  2.9277  761.906   59.082    0.0000    0.0000    761.906   59.082    ?       ?       75.343  2.9277  ?              ?        
1 1 1 -10 -3  28 o 69.807  2.8607  654.308   53.489    0.0000    0.0000    654.308   53.489    ?       ?       69.807  2.8607  ?              ?        
1 1 1 -10 -3  29 o 51.833  2.7032  361.824   37.400    0.0000    0.0000    361.824   37.400    ?       ?       51.833  2.7032  ?              ?        
1 1 1 -10 -3  30 o 62.440  2.8398  524.226   47.495    0.0000    0.0000    524.226   47.495    ?       ?       62.440  2.8398  ?              ?        
1 1 1 -10 -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -3  32 o 103.625 3.4353  1451.72   95.348    0.0000    0.0000    1451.72   95.348    ?       ?       103.625 3.4353  ?              ?        
1 1 1 -10 -3  33 o 23.201  3.0929  74.030    18.742    0.0000    0.0000    74.030    18.742    ?       ?       23.201  3.0929  ?              ?        
1 1 1 -10 -3  34 o 25.414  3.0014  88.614    20.036    0.0000    0.0000    88.614    20.036    ?       ?       25.414  3.0014  ?              ?        
1 1 1 -10 -3  35 o 42.602  2.7644  246.680   31.374    0.0000    0.0000    246.680   31.374    ?       ?       42.602  2.7644  ?              ?        
1 1 1 -10 -3  36 o 45.546  2.7961  282.351   33.945    0.0000    0.0000    282.351   33.945    ?       ?       45.546  2.7961  ?              ?        
1 1 1 -10 -3  37 o 48.731  2.8372  323.944   36.872    0.0000    0.0000    323.944   36.872    ?       ?       48.731  2.8372  ?              ?        
1 1 1 -10 -3  38 o 52.726  2.8666  380.332   40.331    0.0000    0.0000    380.332   40.331    ?       ?       52.726  2.8666  ?              ?        
1 1 1 -10 -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -3  40 o 9.4822  4.1123  -0.8978   19.329    0.0000    0.0000    -0.8978   19.329    ?       ?       9.4822  4.1123  ?              ?        
1 1 1 -10 -3  41 o 41.795  5.2700  262.906   57.684    262.906   57.684    0.0000    0.0000    41.795  5.2700  ?       ?       ?              ?        
1 1 1 -10 -3  42 f 31.030  5.9511  153.882   47.662    153.882   47.662    0.0000    0.0000    31.030  5.9511  ?       ?       ?              ?        
1 1 1 -10 -3  43 o 21.719  6.5960  81.259    41.749    81.259    41.749    0.0000    0.0000    21.719  6.5960  ?       ?       ?              ?        
1 1 1 -10 -3  44 o 9.8645  4.5093  -10.6073  26.639    -10.6073  26.639    0.0000    0.0000    9.8645  4.5093  ?       ?       ?              ?        
1 1 1 -10 -3  45 o 14.920  5.6205  33.121    30.581    33.121    30.581    0.0000    0.0000    14.920  5.6205  ?       ?       ?              ?        
1 1 1 -10 -3  46 o 17.803  6.0318  56.404    34.258    56.404    34.258    0.0000    0.0000    17.803  6.0318  ?       ?       ?              ?        
1 1 1 -10 -3  47 o 12.666  5.4298  17.371    32.946    17.371    32.946    0.0000    0.0000    12.666  5.4298  ?       ?       ?              ?        
1 1 1 -10 -2  1  o 481.351 8.9430  31179.12  1152.77   30420.06  1629.63   31939.36  1630.90   475.460 12.796  487.242 12.497  -11.78223      17.88610 
1 1 1 -10 -2  2  o 199.805 3.8326  5351.44   205.055   5195.19   289.266   5509.27   290.723   196.871 5.4857  202.738 5.3537  -5.867889      7.665145 
1 1 1 -10 -2  3  o 386.241 7.1172  20038.28  736.268   19814.95  1040.72   20262.05  1041.76   384.080 10.116  388.401 10.014  -4.320557      14.23434 
1 1 1 -10 -2  4  f 180.036 3.4915  4345.44   168.298   4208.21   238.389   4481.80   237.631   177.199 5.0227  182.873 4.8514  -5.673859      6.983069 
1 1 1 -10 -2  5  o 598.874 10.977  48369.96  1760.64   47680.51  2490.60   49058.66  2489.24   594.578 15.639  603.171 15.408  -8.593811      21.95383 
1 1 1 -10 -2  6  o 309.726 5.7906  12872.33  480.385   12901.11  680.516   12843.74  678.224   310.070 8.1939  309.381 8.1845  0.6894836      11.58124 
1 1 1 -10 -2  7  o 246.724 4.7377  8163.47   313.075   8085.00   443.422   8241.48   442.092   245.540 6.7423  247.908 6.6578  -2.368866      9.475490 
1 1 1 -10 -2  8  o 489.928 9.0827  32303.39  1191.88   32312.43  1685.79   32294.35  1685.37   489.996 12.845  489.859 12.845  0.1371460      18.16530 
1 1 1 -10 -2  9  o 125.194 2.7205  2103.94   90.984    2278.39   128.565   1928.92   128.777   130.405 3.6808  119.983 4.0071  10.42179       5.441024 
1 1 1 -10 -2  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -2  11 o 230.770 8.9006  7151.47   550.159   7151.47   550.159   0.0000    0.0000    230.770 8.9006  ?       ?       ?              ?        
1 1 1 -10 -2  12 o 346.741 9.1267  16152.14  847.629   16152.14  847.629   0.0000    0.0000    346.741 9.1267  ?       ?       ?              ?        
1 1 1 -10 -2  13 o 530.412 13.839  37989.25  1966.11   37989.25  1966.11   0.0000    0.0000    530.412 13.839  ?       ?       ?              ?        
1 1 1 -10 -2  14 o 223.607 6.1085  6709.26   365.855   6709.26   365.855   0.0000    0.0000    223.607 6.1085  ?       ?       ?              ?        
1 1 1 -10 -2  15 o 116.905 3.6732  1831.90   115.017   1831.90   115.017   0.0000    0.0000    116.905 3.6732  ?       ?       ?              ?        
1 1 1 -10 -2  16 o 294.685 7.8718  11687.81  621.328   11687.81  621.328   0.0000    0.0000    294.685 7.8718  ?       ?       ?              ?        
1 1 1 -10 -2  17 o 165.725 4.7657  3686.54   211.545   3686.54   211.545   0.0000    0.0000    165.725 4.7657  ?       ?       ?              ?        
1 1 1 -10 -2  18 o 217.915 6.0160  6386.85   351.143   6386.85   351.143   0.0000    0.0000    217.915 6.0160  ?       ?       ?              ?        
1 1 1 -10 -2  19 o 205.343 8.1340  5698.05   447.378   5698.05   447.378   0.0000    0.0000    205.343 8.1340  ?       ?       ?              ?        
1 1 1 -10 -2  20 o 82.776  4.1101  919.972   91.126    0.0000    0.0000    919.972   91.126    ?       ?       82.776  4.1101  ?              ?        
1 1 1 -10 -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -2  22 o 343.133 9.1673  16001.67  842.542   0.0000    0.0000    16001.67  842.542   ?       ?       343.133 9.1673  ?              ?        
1 1 1 -10 -2  23 o 246.033 6.7032  8174.26   441.739   0.0000    0.0000    8174.26   441.739   ?       ?       246.033 6.7032  ?              ?        
1 1 1 -10 -2  24 o 130.784 3.9718  2297.64   139.133   0.0000    0.0000    2297.64   139.133   ?       ?       130.784 3.9718  ?              ?        
1 1 1 -10 -2  25 o 104.886 3.4957  1476.98   98.207    0.0000    0.0000    1476.98   98.207    ?       ?       104.886 3.4957  ?              ?        
1 1 1 -10 -2  26 o 55.856  2.6577  418.506   39.762    0.0000    0.0000    418.506   39.762    ?       ?       55.856  2.6577  ?              ?        
1 1 1 -10 -2  27 o 89.417  3.1864  1073.68   76.315    0.0000    0.0000    1073.68   76.315    ?       ?       89.417  3.1864  ?              ?        
1 1 1 -10 -2  28 o 102.201 3.4048  1404.22   93.205    0.0000    0.0000    1404.22   93.205    ?       ?       102.201 3.4048  ?              ?        
1 1 1 -10 -2  29 o 4.4667  2.2162  -24.4824  10.113    0.0000    0.0000    -24.4824  10.113    ?       ?       4.4667  2.2162  ?              ?        
1 1 1 -10 -2  30 o 48.134  2.7251  312.480   34.990    0.0000    0.0000    312.480   34.990    ?       ?       48.134  2.7251  ?              ?        
1 1 1 -10 -2  31 o 77.017  4.1219  805.589   84.723    0.0000    0.0000    805.589   84.723    ?       ?       77.017  4.1219  ?              ?        
1 1 1 -10 -2  32 o 43.607  2.7046  257.219   31.434    0.0000    0.0000    257.219   31.434    ?       ?       43.607  2.7046  ?              ?        
1 1 1 -10 -2  33 o 36.858  2.7504  184.386   26.957    0.0000    0.0000    184.386   26.957    ?       ?       36.858  2.7504  ?              ?        
1 1 1 -10 -2  34 o 48.121  2.7880  314.181   35.781    0.0000    0.0000    314.181   35.781    ?       ?       48.121  2.7880  ?              ?        
1 1 1 -10 -2  35 o 76.297  3.0576  790.210   62.486    0.0000    0.0000    790.210   62.486    ?       ?       76.297  3.0576  ?              ?        
1 1 1 -10 -2  36 o 17.653  3.8311  44.334    17.594    0.0000    0.0000    44.334    17.594    ?       ?       17.653  3.8311  ?              ?        
1 1 1 -10 -2  37 o 43.584  3.7231  263.135   43.045    0.0000    0.0000    263.135   43.045    ?       ?       43.584  3.7231  ?              ?        
1 1 1 -10 -2  38 o 25.775  4.3642  95.227    29.055    0.0000    0.0000    95.227    29.055    ?       ?       25.775  4.3642  ?              ?        
1 1 1 -10 -2  39 o 24.759  6.0474  93.977    39.759    93.977    39.759    0.0000    0.0000    24.759  6.0474  ?       ?       ?              ?        
1 1 1 -10 -2  40 o 13.239  5.3490  15.366    29.337    15.366    29.337    0.0000    0.0000    13.239  5.3490  ?       ?       ?              ?        
1 1 1 -10 -2  41 o 36.272  4.1634  191.130   39.717    191.130   39.717    0.0000    0.0000    36.272  4.1634  ?       ?       ?              ?        
1 1 1 -10 -2  42 o 25.958  5.1319  104.556   34.417    104.556   34.417    0.0000    0.0000    25.958  5.1319  ?       ?       ?              ?        
1 1 1 -10 -2  43 o 31.509  4.6843  151.296   38.330    151.296   38.330    0.0000    0.0000    31.509  4.6843  ?       ?       ?              ?        
1 1 1 -10 -2  44 o 24.863  5.6216  101.266   36.559    101.266   36.559    0.0000    0.0000    24.863  5.6216  ?       ?       ?              ?        
1 1 1 -10 -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -2  46 o 28.958  4.4071  145.753   32.944    113.963   42.592    193.095   51.976    24.843  6.3704  33.073  6.0917  -8.230610      8.814280 
1 1 1 -10 -1  1  o 268.306 5.0846  9656.91   365.318   9396.79   516.128   9918.05   517.149   264.679 7.2803  271.932 7.1001  -7.252563      10.16930 
1 1 1 -10 -1  2  o 588.627 10.806  46724.13  1703.66   47253.65  2409.25   46194.52  2409.43   591.986 15.194  585.268 15.370  6.717957       21.61251 
1 1 1 -10 -1  3  o 290.318 5.3912  11308.84  419.139   11054.63  593.192   11562.30  592.314   287.053 7.7151  293.582 7.5324  -6.529388      10.78241 
1 1 1 -10 -1  4  o 548.812 10.056  40577.52  1478.20   40174.46  2091.39   40979.90  2089.60   546.071 14.299  551.553 14.144  -5.481995      20.11262 
1 1 1 -10 -1  5  o 282.681 5.3083  10719.26  401.919   10731.26  569.464   10707.36  567.341   282.838 7.5169  282.525 7.4972  0.3138123      10.61658 
1 1 1 -10 -1  6  o 469.656 8.7146  29675.94  1095.94   30537.02  1551.06   28817.46  1548.72   476.489 12.153  462.823 12.493  13.66623       17.42917 
1 1 1 -10 -1  7  o 323.286 6.0220  14026.97  521.443   14150.33  737.395   13903.59  737.467   324.711 8.4784  321.862 8.5543  2.849518       12.04405 
1 1 1 -10 -1  8  o 154.729 3.1590  3208.18   130.917   3208.41   184.652   3207.95   185.642   154.735 4.4553  154.723 4.4795  0.1147461E-01  6.317902 
1 1 1 -10 -1  9  o 232.754 4.4958  7267.11   280.128   7532.36   395.784   7000.84   396.539   237.017 6.2343  228.491 6.4793  8.526260       8.991569 
1 1 1 -10 -1  10 o 125.342 3.2340  2069.75   102.988   1997.03   125.914   2216.73   179.009   122.084 3.8506  128.600 5.1969  -6.515366      6.467992 
1 1 1 -10 -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -1  12 o 177.039 5.0032  4201.51   237.252   4201.51   237.252   0.0000    0.0000    177.039 5.0032  ?       ?       ?              ?        
1 1 1 -10 -1  13 o 194.316 5.4138  5063.20   281.773   5063.20   281.773   0.0000    0.0000    194.316 5.4138  ?       ?       ?              ?        
1 1 1 -10 -1  14 o 314.591 8.3558  13302.89  704.079   13302.89  704.079   0.0000    0.0000    314.591 8.3558  ?       ?       ?              ?        
1 1 1 -10 -1  15 o 526.424 13.823  37580.04  1949.08   37580.04  1949.08   0.0000    0.0000    526.424 13.823  ?       ?       ?              ?        
1 1 1 -10 -1  16 o 296.311 7.9255  11819.65  629.021   11819.65  629.021   0.0000    0.0000    296.311 7.9255  ?       ?       ?              ?        
1 1 1 -10 -1  17 o 101.318 3.4005  1376.42   92.284    1376.42   92.284    0.0000    0.0000    101.318 3.4005  ?       ?       ?              ?        
1 1 1 -10 -1  18 o 158.077 4.6177  3355.22   195.518   3355.22   195.518   0.0000    0.0000    158.077 4.6177  ?       ?       ?              ?        
1 1 1 -10 -1  19 o 236.107 6.4774  7509.57   409.639   7509.57   409.639   0.0000    0.0000    236.107 6.4774  ?       ?       ?              ?        
1 1 1 -10 -1  20 o 182.171 5.1953  4462.92   253.501   4462.92   253.501   0.0000    0.0000    182.171 5.1953  ?       ?       ?              ?        
1 1 1 -10 -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -1  22 o 113.529 5.2604  1734.65   159.960   1734.65   159.960   0.0000    0.0000    113.529 5.2604  ?       ?       ?              ?        
1 1 1 -10 -1  23 o 159.687 6.4814  3441.91   277.222   0.0000    0.0000    3441.91   277.222   ?       ?       159.687 6.4814  ?              ?        
1 1 1 -10 -1  24 o 172.831 6.9281  4037.63   320.717   0.0000    0.0000    4037.63   320.717   ?       ?       172.831 6.9281  ?              ?        
1 1 1 -10 -1  25 o 141.593 4.2455  2695.11   161.015   0.0000    0.0000    2695.11   161.015   ?       ?       141.593 4.2455  ?              ?        
1 1 1 -10 -1  26 o 122.568 3.8293  2018.90   125.715   0.0000    0.0000    2018.90   125.715   ?       ?       122.568 3.8293  ?              ?        
1 1 1 -10 -1  27 o 57.785  2.7088  448.116   41.927    0.0000    0.0000    448.116   41.927    ?       ?       57.785  2.7088  ?              ?        
1 1 1 -10 -1  28 f 102.949 3.4332  1425.31   94.670    0.0000    0.0000    1425.31   94.670    ?       ?       102.949 3.4332  ?              ?        
1 1 1 -10 -1  29 o 58.223  2.8263  455.597   44.076    0.0000    0.0000    455.597   44.076    ?       ?       58.223  2.8263  ?              ?        
1 1 1 -10 -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -1  31 o 115.119 5.1645  1808.65   159.243   0.0000    0.0000    1808.65   159.243   ?       ?       115.119 5.1645  ?              ?        
1 1 1 -10 -1  32 o 33.978  3.6159  158.152   32.403    0.0000    0.0000    158.152   32.403    ?       ?       33.978  3.6159  ?              ?        
1 1 1 -10 -1  33 o 48.096  3.6622  316.180   46.823    0.0000    0.0000    316.180   46.823    ?       ?       48.096  3.6622  ?              ?        
1 1 1 -10 -1  34 o 14.419  4.5562  28.318    19.694    0.0000    0.0000    28.318    19.694    ?       ?       14.419  4.5562  ?              ?        
1 1 1 -10 -1  35 o 36.854  4.7183  190.736   45.506    190.736   45.506    0.0000    0.0000    36.854  4.7183  ?       ?       ?              ?        
1 1 1 -10 -1  36 o 91.740  5.2786  1185.83   129.160   1185.83   129.160   0.0000    0.0000    91.740  5.2786  ?       ?       ?              ?        
1 1 1 -10 -1  37 o 36.747  4.7906  192.225   46.031    192.225   46.031    0.0000    0.0000    36.747  4.7906  ?       ?       ?              ?        
1 1 1 -10 -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -1  39 o 27.555  4.5669  110.507   32.525    110.507   32.525    0.0000    0.0000    27.555  4.5669  ?       ?       ?              ?        
1 1 1 -10 -1  40 f 33.453  4.1918  161.673   36.735    161.673   36.735    0.0000    0.0000    33.453  4.1918  ?       ?       ?              ?        
1 1 1 -10 -1  41 o 36.944  4.2443  199.561   41.236    199.561   41.236    0.0000    0.0000    36.944  4.2443  ?       ?       ?              ?        
1 1 1 -10 -1  42 o 10.353  4.6037  -3.6854   25.635    -3.6854   25.635    0.0000    0.0000    10.353  4.6037  ?       ?       ?              ?        
1 1 1 -10 -1  43 o 28.115  5.0162  123.263   36.389    123.263   36.389    0.0000    0.0000    28.115  5.0162  ?       ?       ?              ?        
1 1 1 -10 -1  44 o 15.081  5.4887  34.282    28.724    34.282    28.724    0.0000    0.0000    15.081  5.4887  ?       ?       ?              ?        
1 1 1 -10 -1  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 -1  46 f 23.871  3.6479  89.218    21.145    118.340   39.085    77.168    25.142    25.829  5.7925  21.913  4.4358  3.915918       7.295876 
1 1 1 -10 0   1  o 233.635 4.4520  7319.39   278.578   7207.36   393.843   7431.56   394.094   231.844 6.3422  235.426 6.2496  -3.582596      8.904003 
1 1 1 -10 0   2  o 376.266 6.8861  19014.83  693.983   18897.22  982.069   19132.14  980.812   375.100 9.7748  377.432 9.7019  -2.332336      13.77219 
1 1 1 -10 0   3  o 710.491 12.992  68287.27  2472.35   68857.20  3497.90   67718.29  3494.96   713.481 18.304  707.502 18.443  5.978638       25.98375 
1 1 1 -10 0   4  o 113.356 2.4858  1721.05   75.450    1782.69   107.586   1661.39   105.839   115.353 3.4821  111.359 3.5484  3.994202       4.971505 
1 1 1 -10 0   5  o 215.454 4.1782  6224.54   241.029   6425.68   341.108   6023.98   340.626   218.934 5.8169  211.974 5.9994  6.960571       8.356334 
1 1 1 -10 0   6  o 243.471 4.6565  7949.89   303.616   8103.23   428.948   7795.94   429.809   245.827 6.5146  241.115 6.6552  4.712723       9.312994 
1 1 1 -10 0   7  o 392.332 7.2266  20680.38  759.205   21260.48  1074.69   20102.46  1072.67   397.841 10.085  386.823 10.353  11.01755       14.45321 
1 1 1 -10 0   8  o 87.227  2.1320  1019.64   49.665    1124.13   70.990    919.474   69.507    91.606  2.8932  82.847  3.1323  8.759117       4.264050 
1 1 1 -10 0   9  o 407.634 7.5407  22330.92  823.305   22534.20  1165.31   22128.32  1163.36   409.491 10.624  405.776 10.704  3.714996       15.08143 
1 1 1 -10 0   10 o 176.067 3.5667  4165.36   167.635   3780.58   237.553   4547.04   236.594   167.941 5.2810  184.194 4.7956  -16.25316      7.133457 
1 1 1 -10 0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 0   12 o 215.454 5.9184  6225.19   341.543   6225.19   341.543   0.0000    0.0000    215.454 5.9184  ?       ?       ?              ?        
1 1 1 -10 0   13 o 499.083 13.049  33611.90  1744.38   33611.90  1744.38   0.0000    0.0000    499.083 13.049  ?       ?       ?              ?        
1 1 1 -10 0   14 o 423.452 11.127  24177.74  1262.02   24177.74  1262.02   0.0000    0.0000    423.452 11.127  ?       ?       ?              ?        
1 1 1 -10 0   15 o 196.583 5.4864  5186.27   288.882   5186.27   288.882   0.0000    0.0000    196.583 5.4864  ?       ?       ?              ?        
1 1 1 -10 0   16 f 142.293 4.2520  2715.89   162.055   2715.89   162.055   0.0000    0.0000    142.293 4.2520  ?       ?       ?              ?        
1 1 1 -10 0   17 o 98.586  3.3617  1303.21   88.770    1303.21   88.770    0.0000    0.0000    98.586  3.3617  ?       ?       ?              ?        
1 1 1 -10 0   18 o 312.656 8.3795  13208.17  701.734   13208.17  701.734   0.0000    0.0000    312.656 8.3795  ?       ?       ?              ?        
1 1 1 -10 0   19 o 164.208 4.7695  3623.01   209.776   3623.01   209.776   0.0000    0.0000    164.208 4.7695  ?       ?       ?              ?        
1 1 1 -10 0   20 o 191.295 5.4188  4923.56   277.647   4923.56   277.647   0.0000    0.0000    191.295 5.4188  ?       ?       ?              ?        
1 1 1 -10 0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 0   22 o 219.666 6.1229  6506.21   360.257   6506.21   360.257   0.0000    0.0000    219.666 6.1229  ?       ?       ?              ?        
1 1 1 -10 0   23 o 228.459 6.3266  7042.86   387.139   7042.86   387.139   0.0000    0.0000    228.459 6.3266  ?       ?       ?              ?        
1 1 1 -10 0   24 o 119.225 5.4672  1914.90   174.592   1914.90   174.592   0.0000    0.0000    119.225 5.4672  ?       ?       ?              ?        
1 1 1 -10 0   25 o 93.777  4.8180  1186.71   120.610   1186.71   120.610   0.0000    0.0000    93.777  4.8180  ?       ?       ?              ?        
1 1 1 -10 0   26 o 95.570  4.8842  1233.64   124.609   1233.64   124.609   0.0000    0.0000    95.570  4.8842  ?       ?       ?              ?        
1 1 1 -10 0   27 o 60.308  4.1901  492.007   67.264    492.007   67.264    0.0000    0.0000    60.308  4.1901  ?       ?       ?              ?        
1 1 1 -10 0   28 o 110.465 5.3286  1651.90   157.663   1651.90   157.663   0.0000    0.0000    110.465 5.3286  ?       ?       ?              ?        
1 1 1 -10 0   29 o 69.536  4.4458  656.266   82.371    656.266   82.371    0.0000    0.0000    69.536  4.4458  ?       ?       ?              ?        
1 1 1 -10 0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 0   31 o 32.685  4.4971  147.914   38.328    147.914   38.328    0.0000    0.0000    32.685  4.4971  ?       ?       ?              ?        
1 1 1 -10 0   32 f 61.455  4.4541  518.157   72.820    518.157   72.820    0.0000    0.0000    61.455  4.4541  ?       ?       ?              ?        
1 1 1 -10 0   33 o 76.016  4.7254  797.229   95.737    797.229   95.737    0.0000    0.0000    76.016  4.7254  ?       ?       ?              ?        
1 1 1 -10 0   34 o 51.668  3.3314  364.439   45.858    364.439   45.858    0.0000    0.0000    51.668  3.3314  ?       ?       ?              ?        
1 1 1 -10 0   35 o 45.507  3.4297  284.043   41.497    284.043   41.497    0.0000    0.0000    45.507  3.4297  ?       ?       ?              ?        
1 1 1 -10 0   36 o 43.950  3.5175  266.234   41.060    266.234   41.060    0.0000    0.0000    43.950  3.5175  ?       ?       ?              ?        
1 1 1 -10 0   37 o 32.409  3.9097  147.349   33.253    147.349   33.253    0.0000    0.0000    32.409  3.9097  ?       ?       ?              ?        
1 1 1 -10 0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 0   39 o 17.669  5.1457  46.687    25.834    46.687    25.834    0.0000    0.0000    17.669  5.1457  ?       ?       ?              ?        
1 1 1 -10 0   40 f 54.036  3.8047  415.413   54.716    415.413   54.716    0.0000    0.0000    54.036  3.8047  ?       ?       ?              ?        
1 1 1 -10 0   41 o 25.782  5.1040  102.474   33.999    102.474   33.999    0.0000    0.0000    25.782  5.1040  ?       ?       ?              ?        
1 1 1 -10 0   42 o 12.511  3.7169  7.9697    20.942    -2.8703   26.936    24.533    33.297    10.652  4.7287  14.370  5.7360  -3.717084      7.433868 
1 1 1 -10 0   43 o 55.560  2.5112  432.766   36.310    504.530   59.485    390.149   45.841    58.860  3.7933  52.260  3.2917  6.599777       5.022410 
1 1 1 -10 0   44 o 14.997  3.5461  36.153    18.706    3.9814    33.822    50.331    22.452    12.163  5.3535  17.832  4.6519  -5.669408      7.092301 
1 1 1 -10 0   45 o 18.868  3.3664  67.616    19.626    15.980    35.185    90.938    23.646    13.143  5.6220  24.593  3.7047  -11.45053      6.732859 
1 1 1 -10 1   1  o 401.267 9.6431  22468.67  957.743   19537.98  1656.03   23941.56  1174.00   380.419 16.252  422.116 10.384  -41.69675      19.28620 
1 1 1 -10 1   2  o 579.904 10.667  45351.08  1656.70   46067.99  2344.20   44635.73  2341.65   584.512 14.973  575.295 15.196  9.216553       21.33372 
1 1 1 -10 1   3  o 100.411 3.2798  1324.31   82.547    1435.02   147.099   1273.41   99.731    103.332 5.3330  97.490  3.8193  5.842209       6.559509 
1 1 1 -10 1   4  o 583.570 10.753  45932.18  1680.33   47291.60  2378.03   44576.59  2374.68   592.251 14.991  574.888 15.422  17.36389       21.50698 
1 1 1 -10 1   5  o 365.149 6.8155  17914.52  666.084   17114.44  941.903   18714.89  942.069   356.967 9.8512  373.331 9.4211  -16.36356      13.63094 
1 1 1 -10 1   6  o 535.902 9.8326  38714.99  1409.23   41237.46  1995.47   36205.23  1990.44   553.427 13.462  518.377 14.336  35.05023       19.66525 
1 1 1 -10 1   7  o 410.083 7.6272  22605.48  837.422   21856.49  1184.33   23354.36  1184.25   403.264 10.965  416.901 10.605  -13.63690      15.25438 
1 1 1 -10 1   8  o 197.536 3.8379  5230.34   203.042   5330.93   287.898   5130.80   286.397   199.426 5.3897  195.645 5.4653  3.781647       7.675822 
1 1 1 -10 1   9  o 117.310 3.5613  1755.91   107.175   1560.74   130.949   2151.90   186.528   107.919 4.5302  126.701 5.4964  -18.78158      7.122679 
1 1 1 -10 1   10 o 262.696 88.291  4545.14   16315.26  4489.69   19981.88  4656.05   28259.30  253.937 118.646 271.455 130.783 -17.51848      176.5815 
1 1 1 -10 1   11 o ?       ?       16139.75  93865.93  16139.75  93865.93  0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -10 1   12 o 485.677 8.9903  31798.33  1169.32   31135.82  1654.15   32460.08  1653.20   480.586 12.850  490.768 12.577  -10.18149      17.98053 
1 1 1 -10 1   13 o 139.440 4.1712  2606.12   155.791   2606.12   155.791   0.0000    0.0000    139.440 4.1712  ?       ?       ?              ?        
1 1 1 -10 1   14 o 360.155 9.5165  17465.09  918.031   17465.09  918.031   0.0000    0.0000    360.155 9.5165  ?       ?       ?              ?        
1 1 1 -10 1   15 o 60.415  2.7215  489.086   44.040    489.086   44.040    0.0000    0.0000    60.415  2.7215  ?       ?       ?              ?        
1 1 1 -10 1   16 o 360.362 9.5672  17541.84  923.446   17541.84  923.446   0.0000    0.0000    360.362 9.5672  ?       ?       ?              ?        
1 1 1 -10 1   17 o 106.099 3.5142  1509.71   99.867    1509.71   99.867    0.0000    0.0000    106.099 3.5142  ?       ?       ?              ?        
1 1 1 -10 1   18 o 180.236 5.1427  4365.93   248.266   4365.93   248.266   0.0000    0.0000    180.236 5.1427  ?       ?       ?              ?        
1 1 1 -10 1   19 o 166.021 4.8380  3704.31   215.140   3704.31   215.140   0.0000    0.0000    166.021 4.8380  ?       ?       ?              ?        
1 1 1 -10 1   20 o 55.877  2.7894  418.677   41.749    418.677   41.749    0.0000    0.0000    55.877  2.7894  ?       ?       ?              ?        
1 1 1 -10 1   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 1   22 o 183.803 5.2666  4547.63   259.283   4547.63   259.283   0.0000    0.0000    183.803 5.2666  ?       ?       ?              ?        
1 1 1 -10 1   23 o 80.518  3.2457  870.009   69.998    870.009   69.998    0.0000    0.0000    80.518  3.2457  ?       ?       ?              ?        
1 1 1 -10 1   24 o 110.683 3.7511  1645.35   111.206   1645.35   111.206   0.0000    0.0000    110.683 3.7511  ?       ?       ?              ?        
1 1 1 -10 1   25 o 106.069 3.6740  1511.34   104.380   1511.34   104.380   0.0000    0.0000    106.069 3.6740  ?       ?       ?              ?        
1 1 1 -10 1   26 o 131.193 4.1746  2315.78   146.694   2315.78   146.694   0.0000    0.0000    131.193 4.1746  ?       ?       ?              ?        
1 1 1 -10 1   27 o 106.236 3.7122  1518.40   105.632   1518.40   105.632   0.0000    0.0000    106.236 3.7122  ?       ?       ?              ?        
1 1 1 -10 1   28 o 88.141  3.4788  1045.67   82.129    1045.67   82.129    0.0000    0.0000    88.141  3.4788  ?       ?       ?              ?        
1 1 1 -10 1   29 o 66.922  3.1758  602.974   56.926    602.974   56.926    0.0000    0.0000    66.922  3.1758  ?       ?       ?              ?        
1 1 1 -10 1   30 o 46.188  3.1515  288.919   38.755    288.919   38.755    0.0000    0.0000    46.188  3.1515  ?       ?       ?              ?        
1 1 1 -10 1   31 o 55.511  3.1993  417.654   47.367    417.654   47.367    0.0000    0.0000    55.511  3.1993  ?       ?       ?              ?        
1 1 1 -10 1   32 o 71.324  3.3411  689.385   63.828    689.385   63.828    0.0000    0.0000    71.324  3.3411  ?       ?       ?              ?        
1 1 1 -10 1   33 o 23.056  4.0457  74.669    24.073    74.669    24.073    0.0000    0.0000    23.056  4.0457  ?       ?       ?              ?        
1 1 1 -10 1   34 o 15.227  4.6320  32.279    20.576    32.279    20.576    0.0000    0.0000    15.227  4.6320  ?       ?       ?              ?        
1 1 1 -10 1   35 o 53.640  3.4297  394.497   49.018    394.497   49.018    0.0000    0.0000    53.640  3.4297  ?       ?       ?              ?        
1 1 1 -10 1   36 o 29.082  4.1342  119.213   31.297    119.213   31.297    0.0000    0.0000    29.082  4.1342  ?       ?       ?              ?        
1 1 1 -10 1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 1   38 o 15.113  5.1361  31.519    24.840    31.519    24.840    0.0000    0.0000    15.113  5.1361  ?       ?       ?              ?        
1 1 1 -10 1   39 o 42.137  3.9379  252.726   43.929    252.726   43.929    0.0000    0.0000    42.137  3.9379  ?       ?       ?              ?        
1 1 1 -10 1   40 o 14.493  3.7369  25.811    20.868    44.759    26.908    -2.7815   33.055    17.112  5.3134  11.874  5.2561  5.237606       7.473901 
1 1 1 -10 1   41 o 11.418  3.1665  13.068    14.734    -5.4380   25.953    21.869    17.897    10.277  4.5965  12.559  4.3564  -2.281568      6.332924 
1 1 1 -10 1   42 f 46.165  2.5960  300.975   30.650    335.750   51.721    282.154   38.050    47.783  4.0803  44.546  3.2105  3.236183       5.191951 
1 1 1 -10 1   43 o 26.677  3.2059  102.490   21.005    130.942   37.262    89.239    25.430    28.935  4.9879  24.418  4.0287  4.517488       6.411707 
1 1 1 -10 1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 1   45 o 6.8063  2.4341  -44.4797  13.441    -27.4455  28.364    -49.4123  15.263    8.8237  4.2233  4.7889  2.4215  4.034736       4.868237 
1 1 1 -10 2   1  o 664.908 17.077  59742.55  3041.37   0.0000    0.0000    59742.55  3041.37   ?       ?       664.908 17.077  ?              ?        
1 1 1 -10 2   2  o 173.598 3.4708  4046.16   160.821   4458.48   228.324   3640.18   226.558   182.397 4.6735  164.800 5.1326  17.59772       6.941537 
1 1 1 -10 2   3  o 727.225 13.361  71603.30  2602.15   73191.85  3681.45   70017.24  3678.55   735.371 18.691  719.079 19.099  16.29175       26.72286 
1 1 1 -10 2   4  o 204.668 4.1081  5664.09   222.153   4586.84   313.674   6748.21   314.672   184.955 6.3318  224.381 5.2358  -39.42618      8.216124 
1 1 1 -10 2   5  o 416.659 7.6951  23331.97  858.766   23491.69  1215.07   23172.57  1213.89   418.088 10.850  415.230 10.914  2.858063       15.39011 
1 1 1 -10 2   6  o 520.872 9.5854  36533.57  1337.24   36974.45  1892.08   36093.55  1890.22   524.028 13.480  517.717 13.631  6.311157       19.17089 
1 1 1 -10 2   7  o 498.888 9.1928  33500.71  1228.40   33577.44  1737.96   33424.13  1736.47   499.461 12.991  498.316 13.010  1.145172       18.38560 
1 1 1 -10 2   8  o 217.590 4.1956  6348.62   244.400   6606.61   346.611   6093.51   344.663   221.991 5.8293  213.188 6.0359  8.802582       8.391261 
1 1 1 -10 2   9  f 87.396  2.1596  1022.73   50.531    1068.04   72.265    979.384   70.684    89.290  3.0216  85.503  3.0864  3.786720       4.319246 
1 1 1 -10 2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 2   11 o 128.718 2.8047  2226.30   96.386    2036.11   137.086   2412.24   135.547   123.262 4.1522  134.173 3.7717  -10.91067      5.609467 
1 1 1 -10 2   12 o 556.961 10.265  41928.14  1530.88   43214.25  2167.23   40647.34  2162.76   565.559 14.307  548.363 14.725  17.19623       20.53053 
1 1 1 -10 2   13 o 489.327 9.0741  32346.29  1189.21   32798.86  1681.83   31893.75  1681.76   492.780 12.742  485.874 12.923  6.905609       18.14817 
1 1 1 -10 2   14 o 221.217 4.2706  6569.65   253.040   6509.94   357.372   6629.69   358.333   220.207 6.0590  222.227 6.0201  -2.019608      8.541236 
1 1 1 -10 2   15 o 375.842 9.9700  19075.47  1003.66   19075.47  1003.66   0.0000    0.0000    375.842 9.9700  ?       ?       ?              ?        
1 1 1 -10 2   16 o 155.777 4.5717  3256.93   190.751   3256.93   190.751   0.0000    0.0000    155.777 4.5717  ?       ?       ?              ?        
1 1 1 -10 2   17 o 144.504 4.2740  2802.82   165.426   2802.82   165.426   0.0000    0.0000    144.504 4.2740  ?       ?       ?              ?        
1 1 1 -10 2   18 o 246.280 6.7444  8175.50   444.896   8175.50   444.896   0.0000    0.0000    246.280 6.7444  ?       ?       ?              ?        
1 1 1 -10 2   19 o 285.658 7.7065  11029.80  589.651   11029.80  589.651   0.0000    0.0000    285.658 7.7065  ?       ?       ?              ?        
1 1 1 -10 2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 2   21 o 104.734 3.4686  1472.22   97.304    1472.22   97.304    0.0000    0.0000    104.734 3.4686  ?       ?       ?              ?        
1 1 1 -10 2   22 o 135.986 5.9380  2492.95   216.284   2492.95   216.284   0.0000    0.0000    135.986 5.9380  ?       ?       ?              ?        
1 1 1 -10 2   23 o 149.152 4.5451  2991.33   181.577   2991.33   181.577   0.0000    0.0000    149.152 4.5451  ?       ?       ?              ?        
1 1 1 -10 2   24 o 202.531 5.7444  5531.92   311.620   5531.92   311.620   0.0000    0.0000    202.531 5.7444  ?       ?       ?              ?        
1 1 1 -10 2   25 o 104.610 3.6452  1470.31   102.137   1470.31   102.137   0.0000    0.0000    104.610 3.6452  ?       ?       ?              ?        
1 1 1 -10 2   26 o 94.035  3.4847  1188.47   87.769    1188.47   87.769    0.0000    0.0000    94.035  3.4847  ?       ?       ?              ?        
1 1 1 -10 2   27 o 118.893 3.9987  1904.28   127.339   1904.28   127.339   0.0000    0.0000    118.893 3.9987  ?       ?       ?              ?        
1 1 1 -10 2   28 o 186.544 5.4851  4725.37   274.067   4725.37   274.067   0.0000    0.0000    186.544 5.4851  ?       ?       ?              ?        
1 1 1 -10 2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 2   30 o 84.652  3.4729  968.426   78.744    968.426   78.744    0.0000    0.0000    84.652  3.4729  ?       ?       ?              ?        
1 1 1 -10 2   31 o 64.288  3.2592  560.474   55.938    560.474   55.938    0.0000    0.0000    64.288  3.2592  ?       ?       ?              ?        
1 1 1 -10 2   32 o 10.078  4.1092  5.4718    17.497    5.4718    17.497    0.0000    0.0000    10.078  4.1092  ?       ?       ?              ?        
1 1 1 -10 2   33 o 36.806  3.4133  185.771   33.266    185.771   33.266    0.0000    0.0000    36.806  3.4133  ?       ?       ?              ?        
1 1 1 -10 2   34 f 32.305  3.5855  144.179   30.501    144.179   30.501    0.0000    0.0000    32.305  3.5855  ?       ?       ?              ?        
1 1 1 -10 2   35 o 26.175  4.1767  96.766    28.298    96.766    28.298    0.0000    0.0000    26.175  4.1767  ?       ?       ?              ?        
1 1 1 -10 2   36 f 17.571  4.9422  44.833    24.236    44.833    24.236    0.0000    0.0000    17.571  4.9422  ?       ?       ?              ?        
1 1 1 -10 2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 2   38 o 20.925  3.2600  70.129    17.691    42.646    28.733    86.906    22.450    17.063  5.5153  24.787  3.4772  -7.723841      6.519960 
1 1 1 -10 2   39 o 19.100  3.4144  56.515    16.987    48.674    29.490    60.409    20.780    17.869  5.5648  20.332  3.9581  -2.463760      6.828842 
1 1 1 -10 2   40 o 17.354  3.4768  41.754    16.448    64.633    28.451    30.269    20.158    20.358  5.1991  14.349  4.6176  6.009339       6.953654 
1 1 1 -10 2   41 o 24.890  3.1504  81.130    19.256    149.957   34.388    49.689    23.242    31.881  4.1236  17.899  4.7639  13.98202       6.300727 
1 1 1 -10 2   42 o 37.873  2.7593  209.918   26.083    210.845   44.334    209.428   32.257    37.389  4.5185  38.356  3.1681  -0.9662132     5.518550 
1 1 1 -10 2   43 o 16.606  3.4699  47.114    17.404    22.627    31.991    57.408    20.742    13.816  5.5845  19.395  4.1199  -5.579259      6.939763 
1 1 1 -10 2   44 o 19.938  3.7927  69.704    20.073    57.389    37.893    74.507    23.666    17.929  6.3307  21.947  4.1785  -4.017637      7.585383 
1 1 1 -10 3   1  o 299.566 7.9282  12041.82  636.143   0.0000    0.0000    12041.82  636.143   ?       ?       299.566 7.9282  ?              ?        
1 1 1 -10 3   2  o 637.458 11.725  54881.29  2001.91   55081.83  2831.74   54680.92  2830.53   638.631 16.554  636.285 16.608  2.345703       23.44966 
1 1 1 -10 3   3  o 319.249 5.9777  13680.19  511.110   13480.40  723.226   13879.54  722.413   316.914 8.5201  321.583 8.3869  -4.668457      11.95543 
1 1 1 -10 3   4  o 63.344  1.7857  537.441   30.294    535.086   42.517    539.870   43.176    63.203  2.5115  63.485  2.5391  -0.2818184     3.571373 
1 1 1 -10 3   5  o 321.531 6.0292  13876.31  519.209   14057.76  733.893   13694.48  734.653   323.641 8.4660  319.422 8.5867  4.219055       12.05844 
1 1 1 -10 3   6  o 532.344 9.7538  38169.83  1390.77   38069.69  1966.25   38270.09  1967.44   531.642 13.808  533.046 13.780  -1.403564      19.50762 
1 1 1 -10 3   7  o 45.816  1.6896  281.828   20.658    274.653   28.923    289.301   29.515    45.218  2.3966  46.413  2.3822  -1.194340      3.379141 
1 1 1 -10 3   8  o 215.790 4.2156  6243.23   243.645   6159.93   344.054   6327.02   345.081   214.345 5.9927  217.235 5.9306  -2.890137      8.431208 
1 1 1 -10 3   9  o 84.489  2.0736  956.159   46.920    934.184   65.983    978.636   66.734    83.507  2.9500  85.471  2.9150  -1.963997      4.147238 
1 1 1 -10 3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 3   11 o 203.853 4.0387  5572.76   220.503   5483.73   311.340   5662.36   312.340   202.217 5.7481  205.488 5.6748  -3.270691      8.077428 
1 1 1 -10 3   12 o 137.534 2.9398  2535.59   108.287   2566.13   152.795   2504.77   153.490   138.367 4.1227  136.701 4.1920  1.665955       5.879616 
1 1 1 -10 3   13 o 473.805 8.7908  30344.98  1115.58   30641.30  1577.47   30048.50  1577.87   476.141 12.369  471.468 12.495  4.672272       17.58166 
1 1 1 -10 3   14 o 60.766  1.8255  494.680   29.709    484.009   41.736    505.640   42.299    60.102  2.5926  61.430  2.5708  -1.328602      3.651095 
1 1 1 -10 3   15 o 146.202 3.0304  2868.55   118.629   2950.10   167.460   2786.39   168.075   148.293 4.2160  144.112 4.3543  4.181519       6.060871 
1 1 1 -10 3   16 o 54.731  1.8209  403.114   26.557    435.519   37.293    369.778   37.826    57.007  2.4424  52.455  2.7014  4.551941       3.641861 
1 1 1 -10 3   17 o 133.579 3.6909  2445.47   122.294   2529.20   148.756   2270.89   214.805   137.273 4.0458  129.885 6.1745  7.388153       7.381880 
1 1 1 -10 3   18 o 296.044 7.9838  11849.82  633.077   11849.82  633.077   0.0000    0.0000    296.044 7.9838  ?       ?       ?              ?        
1 1 1 -10 3   19 o 101.145 3.4091  1372.70   92.357    1372.70   92.357    0.0000    0.0000    101.145 3.4091  ?       ?       ?              ?        
1 1 1 -10 3   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 3   21 o 240.330 6.5456  7796.48   421.355   7796.48   421.355   0.0000    0.0000    240.330 6.5456  ?       ?       ?              ?        
1 1 1 -10 3   22 o 42.863  2.6900  247.355   30.727    247.355   30.727    0.0000    0.0000    42.863  2.6900  ?       ?       ?              ?        
1 1 1 -10 3   23 o 37.358  2.5899  188.053   25.755    188.053   25.755    0.0000    0.0000    37.358  2.5899  ?       ?       ?              ?        
1 1 1 -10 3   24 o 148.485 4.3268  2965.25   172.085   2965.25   172.085   0.0000    0.0000    148.485 4.3268  ?       ?       ?              ?        
1 1 1 -10 3   25 o 21.476  2.9238  63.047    16.382    63.047    16.382    0.0000    0.0000    21.476  2.9238  ?       ?       ?              ?        
1 1 1 -10 3   26 o 130.058 4.0781  2277.82   142.063   2277.82   142.063   0.0000    0.0000    130.058 4.0781  ?       ?       ?              ?        
1 1 1 -10 3   27 f 131.074 4.0552  2316.55   142.370   2316.55   142.370   0.0000    0.0000    131.074 4.0552  ?       ?       ?              ?        
1 1 1 -10 3   28 o 60.437  2.8548  491.259   46.214    491.259   46.214    0.0000    0.0000    60.437  2.8548  ?       ?       ?              ?        
1 1 1 -10 3   29 o 148.973 4.4911  3012.29   179.206   3012.29   179.206   0.0000    0.0000    148.973 4.4911  ?       ?       ?              ?        
1 1 1 -10 3   30 o 24.434  4.8147  84.237    30.390    84.237    30.390    0.0000    0.0000    24.434  4.8147  ?       ?       ?              ?        
1 1 1 -10 3   31 o 46.624  3.2114  295.634   39.859    295.634   39.859    0.0000    0.0000    46.624  3.2114  ?       ?       ?              ?        
1 1 1 -10 3   32 o 18.271  4.5873  47.641    22.417    47.641    22.417    0.0000    0.0000    18.271  4.5873  ?       ?       ?              ?        
1 1 1 -10 3   33 o 38.840  3.4485  207.019   35.503    207.019   35.503    0.0000    0.0000    38.840  3.4485  ?       ?       ?              ?        
1 1 1 -10 3   34 o 18.611  3.3569  35.948    18.784    5.2501    23.041    96.779    32.435    11.217  4.6587  26.006  4.8344  -14.78846      6.713823 
1 1 1 -10 3   35 o 39.603  2.3306  212.562   23.992    232.316   38.657    200.187   30.597    40.998  3.5555  38.208  3.0142  2.789608       4.661250 
1 1 1 -10 3   36 o ?       ?       98.915    133895.00 58.995    163990.09 178.748   231904.80 ?       ?       ?       ?       ?              ?        
1 1 1 -10 3   37 o 23.817  3.1496  87.803    18.254    65.029    30.336    100.729   22.855    20.792  5.3992  26.842  3.2447  -6.050343      6.299155 
1 1 1 -10 3   38 o 46.649  2.4985  308.406   29.794    294.602   48.518    316.762   37.751    45.479  4.0245  47.820  2.9619  -2.340393      4.996935 
1 1 1 -10 3   39 o 30.603  2.6522  130.081   20.557    151.662   34.738    118.451   25.501    32.315  4.1061  28.891  3.3580  3.423395       5.304334 
1 1 1 -10 3   40 o 46.862  2.4669  304.056   29.932    353.221   49.490    275.699   37.586    49.550  3.7569  44.175  3.1982  5.375237       4.933828 
1 1 1 -10 3   41 o 17.961  3.5032  51.048    16.633    47.079    30.664    52.702    19.799    17.212  5.7053  18.711  4.0667  -1.499510      7.006313 
1 1 1 -10 3   42 o 12.189  3.2584  -2.4411   15.158    48.732    29.519    -20.7654  17.665    17.358  5.5881  7.0208  3.3528  10.33737       6.516785 
1 1 1 -10 3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 3   44 o 14.503  3.2747  8.9784    15.661    79.507    31.813    -13.5795  17.992    21.445  5.5092  7.5615  3.5417  13.88320       6.549428 
1 1 1 -10 4   1  o 657.208 12.096  58372.36  2129.20   57649.11  3010.52   59096.21  3011.77   653.099 17.210  661.317 17.003  -8.218262      24.19241 
1 1 1 -10 4   2  o 313.099 5.8324  13156.23  489.127   13169.08  691.696   13143.38  691.763   313.252 8.2439  312.946 8.2528  0.3065796      11.66490 
1 1 1 -10 4   3  o 790.430 14.512  84748.00  3072.43   84019.02  4344.32   85477.49  4345.84   786.988 20.609  793.873 20.438  -6.885254      29.02495 
1 1 1 -10 4   4  o 265.433 5.0166  9450.03   356.654   9495.72   504.158   9404.25   504.611   266.076 7.0741  264.789 7.1149  1.286926       10.03316 
1 1 1 -10 4   5  o 103.878 2.3419  1445.63   65.145    1406.45   91.842    1485.31   92.418    102.461 3.3465  105.295 3.2769  -2.834259      4.683712 
1 1 1 -10 4   6  o 632.723 11.614  54059.38  1968.20   54580.94  2783.55   53537.89  2783.36   635.800 16.345  629.646 16.504  6.154297       23.22803 
1 1 1 -10 4   7  o 406.250 7.5324  22181.54  819.624   22162.42  1158.82   22200.67  1159.43   406.074 10.654  406.425 10.651  -0.3507385     15.06479 
1 1 1 -10 4   8  o 163.379 3.2420  3577.52   141.862   3625.13   200.426   3529.73   200.820   164.469 4.5497  162.289 4.6199  2.180267       6.484035 
1 1 1 -10 4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 4   10 o 72.722  1.9290  708.481   37.558    681.233   52.869    736.241   53.364    71.310  2.7679  74.134  2.6875  -2.823837      3.857965 
1 1 1 -10 4   11 o 174.300 3.4411  4073.06   160.648   4034.71   226.854   4111.65   227.528   173.476 4.8822  175.124 4.8507  -1.647415      6.882234 
1 1 1 -10 4   12 o 335.917 6.2967  15179.65  566.542   15098.08  800.813   15261.38  801.611   335.010 8.9245  336.824 8.8853  -1.813416      12.59346 
1 1 1 -10 4   13 o 288.033 5.4315  11157.14  419.032   11130.27  592.233   11184.08  592.970   287.685 7.6858  288.381 7.6767  -0.6960449     10.86293 
1 1 1 -10 4   14 o 141.374 2.9790  2681.98   112.745   2776.88   159.240   2586.59   159.653   143.886 4.1318  138.861 4.2925  5.025787       5.957981 
1 1 1 -10 4   15 o 93.044  2.2139  1160.57   55.172    1144.10   77.733    1177.29   78.321    92.378  3.1416  93.709  3.1204  -1.331146      4.427878 
1 1 1 -10 4   16 o 25.435  1.7335  87.537    11.659    88.554    16.336    86.481    16.646    25.591  2.4116  25.279  2.4907  0.3121986      3.466908 
1 1 1 -10 4   17 o 159.355 3.2633  3412.96   139.203   3546.45   196.677   3278.97   197.048   162.489 4.5190  156.221 4.7092  6.267593       6.526675 
1 1 1 -10 4   18 o 242.067 4.6193  7901.81   299.454   8061.54   423.299   7741.79   423.686   244.534 6.4628  239.601 6.6019  4.933121       9.238614 
1 1 1 -10 4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 4   20 f 194.374 3.8866  5089.58   202.238   5272.89   285.726   4905.54   286.291   197.903 5.3903  190.845 5.6006  7.057968       7.773162 
1 1 1 -10 4   21 o 149.812 3.1460  3017.59   126.211   3076.25   177.981   2958.25   179.003   151.284 4.3923  148.340 4.5052  2.943954       6.291979 
1 1 1 -10 4   22 o 87.486  2.6868  999.413   58.798    951.735   70.618    1107.17   106.165   84.219  3.1305  90.754  4.3675  -6.534653      5.373529 
1 1 1 -10 4   23 o 145.643 4.0253  2934.03   144.781   3062.71   176.014   2664.83   254.587   150.917 4.3543  140.369 6.7714  10.54771       8.050548 
1 1 1 -10 4   24 o 44.792  2.3699  256.012   25.638    237.297   29.994    306.776   49.400    41.971  2.6821  47.613  3.9081  -5.641403      4.739886 
1 1 1 -10 4   25 o 85.571  3.1160  1033.50   64.009    1102.03   77.029    880.593   115.060   90.575  3.1751  80.567  5.3625  10.00841       6.231988 
1 1 1 -10 4   26 o 121.731 3.4656  1998.77   105.121   1992.23   127.124   2012.90   186.945   121.617 3.9025  121.845 5.7282  -0.2275620     6.931204 
1 1 1 -10 4   27 o 60.917  2.7352  520.877   39.641    547.224   47.287    458.586   72.709    63.807  2.7669  58.026  4.7190  5.780804       5.470352 
1 1 1 -10 4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 4   29 o 37.044  1.9500  185.559   19.193    178.365   26.489    193.509   27.848    36.287  2.7457  37.801  2.7698  -1.513706      3.900055 
1 1 1 -10 4   30 o 19.086  2.5153  53.880    12.114    74.479    16.646    30.681    17.664    23.346  2.7125  14.826  4.2366  8.519675       5.030571 
1 1 1 -10 4   31 o 45.352  1.9578  279.558   23.603    299.343   33.152    259.220   33.612    47.014  2.6434  43.690  2.8885  3.323483       3.915513 
1 1 1 -10 4   32 o 77.352  2.1787  812.228   45.098    846.970   63.543    776.968   64.016    79.045  3.0013  75.659  3.1589  3.386047       4.357325 
1 1 1 -10 4   33 f 24.802  2.1914  84.868    14.231    85.484    19.820    84.212    20.444    24.911  3.0331  24.693  3.1639  0.2185688      4.382873 
1 1 1 -10 4   34 f 47.907  1.9986  313.438   25.479    330.633   35.695    295.577   36.380    49.286  2.7144  46.528  2.9342  2.757763       3.997213 
1 1 1 -10 4   35 o 25.890  2.6449  90.869    17.347    109.064   28.775    80.480    21.743    27.811  3.9760  23.968  3.4892  3.842985       5.289883 
1 1 1 -10 4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 4   37 o 45.577  2.4739  289.724   28.945    293.802   47.494    287.314   36.508    45.582  3.9285  45.572  3.0078  0.9807587E-02  4.947724 
1 1 1 -10 4   38 o 57.918  2.4679  473.174   37.088    465.546   59.233    478.092   47.566    57.197  3.8894  58.638  3.0389  -1.440807      4.935857 
1 1 1 -10 4   39 o 47.835  2.4335  319.175   30.013    346.369   49.631    303.497   37.684    49.131  3.8010  46.539  3.0398  2.592266       4.867019 
1 1 1 -10 4   40 o 16.477  3.2404  45.718    16.881    8.8654    29.887    62.985    20.457    12.307  5.2204  20.647  3.8404  -8.340503      6.480895 
1 1 1 -10 4   41 o 12.574  3.2217  9.7116    14.061    45.033    26.532    -4.0830   16.581    16.871  5.2823  8.2763  3.6897  8.595019       6.443329 
1 1 1 -10 4   42 o 21.950  3.6466  82.776    20.422    61.396    36.500    92.520    24.640    18.933  6.2221  24.967  3.8048  -6.034140      7.293205 
1 1 1 -10 4   43 o 19.192  3.3821  70.173    19.160    21.206    35.634    90.088    22.725    13.753  5.7596  24.630  3.5469  -10.87683      6.764191 
1 1 1 -10 5   1  o 261.970 4.9869  9205.62   349.899   9071.92   494.732   9339.43   494.932   260.064 7.1023  263.876 7.0025  -3.812134      9.973899 
1 1 1 -10 5   2  o 578.642 10.633  45153.66  1648.03   45178.75  2330.87   45128.57  2330.46   578.804 15.035  578.481 15.041  0.3229980      21.26649 
1 1 1 -10 5   3  o 757.215 13.945  77704.44  2828.27   78174.63  4000.21   77234.46  3999.34   759.532 19.663  754.898 19.779  4.633545       27.88999 
1 1 1 -10 5   4  o 273.384 5.1995  10026.46  380.701   10173.93  538.465   9879.08   538.321   275.397 7.2998  271.370 7.4061  4.026428       10.39890 
1 1 1 -10 5   5  o 193.196 3.7679  5003.09   194.975   5016.42   275.678   4989.75   275.795   193.453 5.3203  192.938 5.3368  0.5153198      7.535707 
1 1 1 -10 5   6  o 331.962 6.2249  14795.72  553.432   15049.67  782.734   14541.85  782.607   334.817 8.7281  329.106 8.8781  5.711151       12.44987 
1 1 1 -10 5   7  o 442.345 8.1424  26320.33  964.713   26170.94  1363.99   26469.87  1364.63   441.084 11.545  443.606 11.485  -2.522125      16.28481 
1 1 1 -10 5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 5   9  o 469.668 8.6726  29716.21  1091.01   29715.50  1542.67   29716.92  1543.16   469.663 12.263  469.673 12.267  -0.1037598E-01 17.34511 
1 1 1 -10 5   10 o 296.134 5.5700  11777.51  441.803   11849.99  624.599   11704.95  625.007   297.048 7.8503  295.219 7.9041  1.829102       11.14008 
1 1 1 -10 5   11 o 124.891 2.6787  2090.55   89.608    2083.74   126.495   2097.41   126.957   124.687 3.7876  125.096 3.7890  -0.4083481     5.357463 
1 1 1 -10 5   12 o 130.907 2.8099  2297.49   98.523    2302.40   139.100   2292.56   139.565   131.047 3.9629  130.766 3.9847  0.2809448      5.619783 
1 1 1 -10 5   13 o 117.455 2.5672  1849.65   80.764    1848.32   113.980   1850.98   114.457   117.413 3.6243  117.497 3.6369  -0.8412170E-01 5.134428 
1 1 1 -10 5   14 o 153.077 3.0881  3144.45   126.612   3114.15   178.760   3174.95   179.354   152.336 4.3811  153.818 4.3533  -1.481949      6.176138 
1 1 1 -10 5   15 o 59.948  1.8566  481.681   29.811    479.117   41.997    484.283   42.322    59.787  2.6225  60.108  2.6287  -0.3213387     3.713202 
1 1 1 -10 5   16 o 59.772  1.8507  478.965   29.607    454.619   41.625    503.893   42.120    58.234  2.6686  61.311  2.5648  -3.077026      3.701344 
1 1 1 -10 5   17 o 35.995  1.7394  174.503   16.666    175.275   23.363    173.703   23.781    36.078  2.4319  35.911  2.4877  0.1674042      3.478898 
1 1 1 -10 5   18 o 151.515 4.3883  3091.74   177.473   2752.72   246.602   3455.97   255.609   142.868 6.4442  160.162 5.9584  -17.29353      8.776687 
1 1 1 -10 5   19 o ?       ?       1819.47   23073.64  1815.07   28260.08  1828.26   39962.59  ?       ?       ?       ?       ?              ?        
1 1 1 -10 5   20 o 129.333 2.7853  2246.62   96.479    2205.05   136.083   2288.63   136.803   128.127 3.9653  130.538 3.9126  -2.410858      5.570643 
1 1 1 -10 5   21 o 47.320  1.9294  301.604   24.322    309.359   33.884    293.361   34.932    47.957  2.6482  46.683  2.8067  1.273384       3.858824 
1 1 1 -10 5   22 o 124.218 2.7293  2072.80   90.801    2038.63   128.048   2107.37   128.779   123.186 3.8808  125.250 3.8387  -2.063934      5.458575 
1 1 1 -10 5   23 o 96.510  2.3508  1250.87   60.758    1269.46   85.550    1231.95   86.305    97.237  3.2847  95.784  3.3640  1.453300       4.701692 
1 1 1 -10 5   24 o 105.035 2.4336  1482.34   68.464    1475.49   96.410    1489.31   97.242    104.791 3.4349  105.279 3.4484  -0.4879608     4.867233 
1 1 1 -10 5   25 o 28.927  2.0649  114.206   15.664    125.814   21.838    101.905   22.481    30.493  2.7018  27.362  3.1234  3.130541       4.129824 
1 1 1 -10 5   26 o 69.125  2.0708  642.040   38.322    613.776   53.646    671.490   54.762    67.569  2.9642  70.681  2.8926  -3.111855      4.141676 
1 1 1 -10 5   27 o 53.473  1.9265  385.162   27.529    391.024   38.531    379.049   39.345    53.929  2.6674  53.016  2.7804  0.9130325      3.853034 
1 1 1 -10 5   28 o ?       ?       302.423   66131.37  325.279   80995.23  256.715   114539.60 ?       ?       ?       ?       ?              ?        
1 1 1 -10 5   29 o 110.491 2.6263  1654.89   77.721    1638.38   109.521   1671.64   110.312   109.934 3.7195  111.048 3.7087  -1.114220      5.252504 
1 1 1 -10 5   30 o 28.016  2.0344  107.006   15.038    102.159   20.856    112.253   21.702    27.347  2.8912  28.685  2.8628  -1.338400      4.068706 
1 1 1 -10 5   31 o 85.253  2.2741  986.268   51.927    988.389   73.127    984.111   73.748    85.351  3.1987  85.154  3.2334  0.1968765      4.548245 
1 1 1 -10 5   32 o 57.878  2.0107  455.205   31.051    484.087   43.731    425.839   44.096    59.797  2.7304  55.958  2.9525  3.838524       4.021445 
1 1 1 -10 5   33 o 15.455  2.6474  34.378    11.252    47.709    15.770    20.553    16.059    18.437  3.3153  12.473  4.1285  5.963616       5.294882 
1 1 1 -10 5   34 o 45.503  1.9947  282.616   24.172    267.756   33.804    298.165   34.579    44.260  2.8668  46.745  2.7742  -2.484333      3.989346 
1 1 1 -10 5   35 o 31.305  5.3351  143.386   43.130    0.0000    0.0000    143.386   43.130    ?       ?       31.305  5.3351  ?              ?        
1 1 1 -10 5   36 o 27.738  2.3147  108.480   16.564    128.985   23.457    88.085    23.393    30.530  2.9034  24.946  3.6057  5.583763       4.629351 
1 1 1 -10 5   37 o 8.5860  2.5763  0.9806    10.440    5.2888    14.370    -3.8354   15.193    9.1269  3.7230  8.0450  3.5623  1.081886       5.152693 
1 1 1 -10 5   38 o 61.654  2.4147  525.740   38.999    589.092   62.550    485.451   49.881    64.434  3.6392  58.874  3.1749  5.560436       4.829481 
1 1 1 -10 5   39 o 12.903  3.2071  23.379    14.218    6.6037    25.954    30.571    16.995    11.492  4.8693  14.313  4.1750  -2.821023      6.414114 
1 1 1 -10 5   40 o 21.109  3.4568  78.239    19.248    41.592    33.919    95.646    23.377    16.509  5.9711  25.709  3.4847  -9.199528      6.913523 
1 1 1 -10 5   41 o 10.131  3.1497  -0.0910   14.571    5.5631    28.696    -2.0551   16.913    11.683  5.0387  8.5795  3.7807  3.103794       6.299384 
1 1 1 -10 5   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 5   43 f 12.822  3.5350  22.279    16.247    21.836    31.637    22.437    18.935    13.287  5.4837  12.356  4.4625  0.9304867      7.070016 
1 1 1 -10 6   1  o 413.269 7.6355  22958.39  845.083   22505.45  1194.73   23411.93  1195.52   409.175 10.901  417.363 10.694  -8.188171      15.27103 
1 1 1 -10 6   2  f 261.165 4.9466  9148.95   346.008   9040.33   489.449   9257.46   489.209   259.613 7.0387  262.717 6.9521  -3.104218      9.893189 
1 1 1 -10 6   3  o 511.064 9.4491  35175.64  1293.44   35421.89  1829.56   34929.59  1828.84   512.862 13.319  509.267 13.407  3.595276       18.89815 
1 1 1 -10 6   4  o 247.257 4.6896  8199.01   310.581   8215.84   439.348   8182.20   439.107   247.510 6.6271  247.003 6.6371  0.5078583      9.379252 
1 1 1 -10 6   5  o 278.416 5.2233  10400.07  389.496   10536.57  550.925   10263.66  550.735   280.246 7.3395  276.586 7.4340  3.659393       10.44663 
1 1 1 -10 6   6  o 580.548 10.724  45490.55  1667.62   45375.83  2358.23   45605.31  2358.52   579.811 15.185  581.286 15.148  -1.475220      21.44871 
1 1 1 -10 6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 6   8  o 309.842 5.7742  12891.58  479.179   13035.96  677.662   12747.21  677.661   311.581 8.1199  308.102 8.2116  3.479279       11.54834 
1 1 1 -10 6   9  o 239.129 4.5588  7672.82   291.977   7581.44   412.679   7764.42   413.157   237.701 6.4818  240.557 6.4122  -2.856171      9.117555 
1 1 1 -10 6   10 o 101.492 2.3464  1380.33   63.786    1379.24   90.052    1381.43   90.362    101.452 3.3140  101.532 3.3227  -0.8027649E-01 4.692847 
1 1 1 -10 6   11 o 80.372  2.0807  865.657   44.791    873.319   63.251    857.951   63.437    80.729  2.9252  80.015  2.9599  0.7140427      4.161445 
1 1 1 -10 6   12 o 385.734 7.1703  20099.00  740.826   20101.00  1047.46   20097.00  1047.92   385.754 10.138  385.714 10.143  0.4016113E-01  14.34068 
1 1 1 -10 6   13 o 370.217 6.9481  18539.21  688.974   18672.17  974.214   18406.17  974.498   371.559 9.7890  368.875 9.8631  2.683563       13.89620 
1 1 1 -10 6   14 o 48.553  1.7535  316.344   22.759    307.686   32.031    325.171   32.343    47.848  2.5080  49.257  2.4514  -1.409000      3.507084 
1 1 1 -10 6   15 o 155.803 3.2445  3260.48   135.396   3244.82   191.198   3276.23   191.761   155.427 4.5927  156.178 4.5841  -0.7514038     6.488942 
1 1 1 -10 6   16 o 81.418  2.0995  889.009   45.763    853.580   64.432    925.076   65.010    79.779  3.0153  83.057  2.9223  -3.277512      4.198975 
1 1 1 -10 6   17 o 125.291 2.7350  2107.55   91.785    2098.33   129.530   2116.85   130.079   125.016 3.8683  125.567 3.8676  -0.5505066     5.470084 
1 1 1 -10 6   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 6   19 o 122.701 2.7136  2021.85   89.179    2029.89   125.858   2013.75   126.382   122.947 3.8218  122.455 3.8532  0.4924469      5.427108 
1 1 1 -10 6   20 o 163.352 3.3883  3589.57   148.218   3496.72   209.195   3683.16   210.032   161.223 4.8444  165.481 4.7386  -4.258331      6.776572 
1 1 1 -10 6   21 o 142.637 2.9791  2734.60   113.803   2682.67   160.610   2786.96   161.276   141.273 4.2445  144.001 4.1813  -2.727600      5.958106 
1 1 1 -10 6   22 o 71.528  2.0561  686.478   39.389    685.017   55.378    687.974   56.038    71.451  2.8936  71.604  2.9219  -0.1526871     4.112185 
1 1 1 -10 6   23 o 73.254  2.0445  720.098   40.108    700.232   56.321    740.538   57.129    72.228  2.9112  74.280  2.8714  -2.051895      4.089056 
1 1 1 -10 6   24 o 104.230 2.4117  1460.49   67.310    1414.50   94.830    1507.17   95.554    102.572 3.4517  105.888 3.3691  -3.316292      4.823369 
1 1 1 -10 6   25 o 42.986  1.9508  249.529   22.312    256.526   31.071    242.078   32.061    43.621  2.6722  42.352  2.8428  1.269848       3.901564 
1 1 1 -10 6   26 o 38.467  1.9149  200.179   19.572    207.743   27.298    192.178   28.076    39.231  2.6128  37.703  2.8001  1.527832       3.829830 
1 1 1 -10 6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 6   28 o 79.786  2.2161  859.455   47.356    862.591   66.701    856.268   67.247    79.936  3.1153  79.635  3.1527  0.3011551      4.432186 
1 1 1 -10 6   29 o 56.564  1.9728  432.317   29.800    405.053   41.722    460.710   42.577    54.695  2.8578  58.432  2.7204  -3.736881      3.945601 
1 1 1 -10 6   30 o 60.073  1.9962  488.043   32.114    494.784   45.253    481.205   45.581    60.497  2.7927  59.649  2.8530  0.8480911      3.992319 
1 1 1 -10 6   31 o 52.168  1.9606  369.475   27.287    374.294   38.267    364.490   38.922    52.526  2.7293  51.810  2.8153  0.7156677      3.921105 
1 1 1 -10 6   32 o 24.073  2.3014  80.058    14.389    70.585    19.828    90.595    20.912    22.514  3.3935  25.632  3.1096  -3.118099      4.602749 
1 1 1 -10 6   33 o 88.489  2.3612  1071.18   55.927    1113.82   79.029    1028.41   79.155    90.292  3.2678  86.685  3.4091  3.606659       4.722322 
1 1 1 -10 6   34 o 14.076  2.6957  27.939    11.457    43.722    15.853    10.682    16.577    17.538  3.4974  10.614  4.1032  6.923553       5.391500 
1 1 1 -10 6   35 o 25.030  2.7835  83.319    17.393    67.629    21.382    114.009   29.905    21.763  3.8068  28.298  4.0619  -6.534706      5.566967 
1 1 1 -10 6   36 f 21.136  2.7110  65.221    14.652    77.012    20.406    52.675    21.051    23.337  3.3616  18.936  4.2542  4.400509       5.422052 
1 1 1 -10 6   37 o 16.574  2.9915  40.840    13.316    40.750    18.424    40.938    19.267    16.571  4.1578  16.576  4.3021  -0.5086899E-02 5.982929 
1 1 1 -10 6   38 o 14.629  2.4857  29.160    12.499    62.044    17.313    -6.6413   18.065    20.823  3.2070  8.4353  3.7988  12.38801       4.971452 
1 1 1 -10 6   39 o 12.698  2.9466  21.678    12.557    35.047    17.572    7.7276    17.950    15.236  4.1799  10.159  4.1544  5.077306       5.893266 
1 1 1 -10 6   40 o 16.336  2.7496  37.290    13.730    8.1074    18.490    73.167    20.501    10.282  4.2118  22.390  3.5358  -12.10799      5.499243 
1 1 1 -10 6   41 o 13.348  4.5069  26.454    19.126    0.0000    0.0000    26.454    19.126    ?       ?       13.348  4.5069  ?              ?        
1 1 1 -10 6   42 o 13.927  3.1351  31.353    16.054    -10.7702  30.113    48.080    18.976    10.293  4.7378  17.562  4.1073  -7.269481      6.270243 
1 1 1 -10 7   1  o 526.075 9.6849  37288.74  1364.63   36907.71  1929.52   37670.05  1930.24   523.371 13.764  528.780 13.628  -5.408997      19.36977 
1 1 1 -10 7   2  o 52.938  1.7877  375.394   25.343    386.073   35.966    364.863   35.716    53.686  2.5011  52.190  2.5549  1.495739       3.575390 
1 1 1 -10 7   3  o 335.920 6.2736  15151.49  564.469   15135.56  798.501   15167.41  798.059   335.743 8.8793  336.097 8.8651  -0.3545837     12.54718 
1 1 1 -10 7   4  o 378.339 7.0235  19235.64  711.634   19634.33  1006.89   18837.72  1005.91   382.268 9.8339  374.409 10.031  7.859711       14.04698 
1 1 1 -10 7   5  o 66.142  1.8618  586.040   32.981    595.977   46.704    576.157   46.580    66.701  2.6142  65.582  2.6517  1.118759       3.723619 
1 1 1 -10 7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 7   7  o 246.994 4.6901  8185.19   310.279   8211.59   438.756   8158.77   438.846   247.393 6.6213  246.595 6.6441  0.7985992      9.380130 
1 1 1 -10 7   8  o 216.749 4.1525  6302.48   241.049   6191.04   340.714   6414.16   341.075   214.827 5.9212  218.670 5.8233  -3.842926      8.304955 
1 1 1 -10 7   9  o 315.076 5.9347  13349.27  500.803   13552.81  708.302   13145.80  708.183   317.488 8.3292  312.665 8.4562  4.822601       11.86943 
1 1 1 -10 7   10 o 80.388  2.0795  865.974   44.770    849.351   63.180    882.740   63.449    79.613  2.9628  81.163  2.9186  -1.550514      4.158933 
1 1 1 -10 7   11 o 440.493 8.2515  26291.24  973.425   26788.14  1376.86   25794.67  1376.40   444.703 11.559  436.284 11.778  8.418518       16.50298 
1 1 1 -10 7   12 o 130.347 2.8079  2279.15   98.034    2268.25   138.463   2290.11   138.819   130.034 3.9755  130.660 3.9666  -0.6256256     5.615876 
1 1 1 -10 7   13 o 163.114 3.3481  3573.04   146.269   3518.33   206.592   3628.03   207.120   161.859 4.7653  164.369 4.7045  -2.509842      6.696258 
1 1 1 -10 7   14 o 189.526 3.7491  4829.46   190.316   4779.93   268.870   4879.21   269.425   188.549 5.3239  190.503 5.2802  -1.954086      7.498269 
1 1 1 -10 7   15 o 59.094  1.8462  468.189   29.221    470.470   41.151    465.869   41.500    59.240  2.5934  58.948  2.6284  0.2911911      3.692463 
1 1 1 -10 7   16 o 54.698  1.8492  401.127   27.092    399.432   38.138    402.854   38.493    54.582  2.6087  54.815  2.6217  -0.2330208     3.698467 
1 1 1 -10 7   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 7   18 o 100.723 2.4019  1361.53   64.798    1344.57   91.348    1378.70   91.931    100.091 3.4073  101.355 3.3863  -1.263641      4.803873 
1 1 1 -10 7   19 o 95.527  2.3475  1224.85   60.058    1243.02   84.723    1206.51   85.148    96.241  3.2866  94.813  3.3529  1.427826       4.695081 
1 1 1 -10 7   20 o 83.523  2.1910  936.158   49.012    945.872   69.099    926.322   69.530    83.961  3.0726  83.086  3.1243  0.8748856      4.382028 
1 1 1 -10 7   21 o 98.705  2.3662  1307.99   62.541    1267.61   88.080    1349.04   88.818    97.166  3.3843  100.244 3.3079  -3.077934      4.732427 
1 1 1 -10 7   22 o 67.694  2.0317  614.897   36.835    603.330   51.754    626.773   52.439    67.048  2.8818  68.339  2.8648  -1.291084      4.063479 
1 1 1 -10 7   23 o 94.385  2.3731  1197.56   59.976    1225.94   84.593    1168.88   85.047    95.514  3.3066  93.255  3.4049  2.258904       4.746212 
1 1 1 -10 7   24 o 17.850  2.5248  45.360    11.617    57.696    16.180    32.235    16.690    20.499  3.0388  15.200  4.0329  5.299982       5.049629 
1 1 1 -10 7   25 o 74.108  2.1002  738.816   41.677    752.817   58.709    724.592   59.175    74.820  2.9295  73.396  3.0101  1.424393       4.200316 
1 1 1 -10 7   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 7   27 o 105.895 2.4888  1516.34   70.585    1537.28   99.684    1495.28   99.960    106.637 3.4900  105.153 3.5491  1.483810       4.977561 
1 1 1 -10 7   28 o 63.745  2.0583  549.350   35.087    582.266   49.456    515.992   49.787    65.688  2.8109  61.803  3.0076  3.885029       4.116627 
1 1 1 -10 7   29 o 44.292  1.9295  266.078   22.768    270.865   31.908    261.113   32.499    44.709  2.6768  43.874  2.7799  0.8353081      3.859099 
1 1 1 -10 7   30 o 70.081  2.0975  665.449   39.367    649.403   55.467    681.735   55.881    69.223  2.9915  70.939  2.9410  -1.716286      4.195082 
1 1 1 -10 7   31 o 40.168  1.9963  220.517   21.250    238.933   29.755    201.346   30.359    41.930  2.6632  38.405  2.9744  3.525131       3.992508 
1 1 1 -10 7   32 o 90.135  2.3867  1111.07   57.559    1166.28   81.222    1055.38   81.581    92.436  3.2805  87.835  3.4676  4.601715       4.773497 
1 1 1 -10 7   33 o 27.521  2.2046  104.685   15.943    98.030    22.241    111.718   22.865    26.592  3.1859  28.450  3.0480  -1.857342      4.409102 
1 1 1 -10 7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 7   35 o 34.442  2.1755  165.185   19.777    178.524   27.740    151.398   28.202    35.935  2.9069  32.949  3.2374  2.985928       4.350956 
1 1 1 -10 7   36 o 7.5873  2.3589  -7.6592   10.089    5.5749    13.989    -22.0065  14.565    9.0711  3.6836  6.1034  2.9475  2.967674       4.717752 
1 1 1 -10 7   37 o 22.912  2.5885  75.633    15.290    66.509    20.960    86.012    22.355    21.348  3.8053  24.477  3.5102  -3.129623      5.177038 
1 1 1 -10 7   38 o 23.489  2.6243  80.563    15.933    83.198    22.146    77.734    22.942    23.970  3.5572  23.008  3.8593  0.9621449      5.248605 
1 1 1 -10 7   39 o 25.669  2.6381  98.214    17.116    117.024   23.588    77.298    24.874    28.673  3.1218  22.665  4.2535  6.007858       5.276169 
1 1 1 -10 7   40 o 9.7250  2.8042  4.4351    12.333    16.343    17.111    -8.4372   17.791    11.348  4.2181  8.1020  3.6964  3.246067       5.608487 
1 1 1 -10 7   41 o 16.431  2.8308  39.398    14.500    8.1991    19.825    75.284    21.262    10.397  4.3201  22.466  3.6594  -12.06829      5.661620 
1 1 1 -10 7   42 o 13.236  2.7284  24.538    13.264    49.842    17.755    -7.4159   19.953    17.934  3.8137  8.5383  3.9028  9.395615       5.456760 
1 1 1 -10 8   1  o 243.181 4.6222  7931.49   301.066   7885.41   425.615   7977.63   425.929   242.474 6.5534  243.889 6.5201  -1.415497      9.244375 
1 1 1 -10 8   2  o 303.519 5.6866  12366.45  462.239   12132.44  653.668   12600.50  653.742   300.640 8.1175  306.398 7.9658  -5.757324      11.37313 
1 1 1 -10 8   3  o 117.500 2.5806  1849.85   81.216    1854.07   115.061   1845.66   114.653   117.633 3.6518  117.366 3.6471  0.2668839      5.161151 
1 1 1 -10 8   4  o 100.214 2.3119  1345.49   62.052    1365.63   87.987    1325.56   87.525    100.960 3.2537  99.468  3.2852  1.492668       4.623770 
1 1 1 -10 8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 8   6  o 75.657  2.0327  766.976   41.177    792.756   58.343    741.390   58.124    76.924  2.8316  74.389  2.9171  2.534706       4.065438 
1 1 1 -10 8   7  o 386.801 7.1825  20147.73  743.878   20770.03  1052.49   19526.59  1051.51   392.801 10.004  380.801 10.309  11.99994       14.36501 
1 1 1 -10 8   8  f 339.926 6.3998  15552.85  582.682   15654.82  824.055   15450.89  824.019   341.045 9.0210  338.806 9.0802  2.239716       12.79958 
1 1 1 -10 8   9  o 25.271  1.7120  86.404    11.426    92.438    16.231    80.476    16.087    26.162  2.3409  24.380  2.4988  1.782221       3.424007 
1 1 1 -10 8   10 o 297.636 5.6582  11934.06  450.949   11594.89  637.341   12274.07  638.135   293.378 8.1107  301.895 7.8917  -8.517334      11.31640 
1 1 1 -10 8   11 o 128.024 2.7441  2198.63   94.092    2165.83   132.910   2231.58   133.223   127.065 3.9052  128.982 3.8562  -1.916771      5.488241 
1 1 1 -10 8   12 o 208.670 4.0983  5855.86   229.063   5847.65   323.776   5864.09   324.111   208.523 5.7970  208.816 5.7948  -0.2932587     8.196644 
1 1 1 -10 8   13 o 147.725 3.0420  2930.24   120.359   2894.72   170.010   2965.93   170.417   146.825 4.3230  148.624 4.2809  -1.798553      6.083944 
1 1 1 -10 8   14 o 82.085  2.1045  903.923   46.249    933.533   65.326    874.167   65.486    83.435  2.9231  80.735  3.0283  2.700401       4.208981 
1 1 1 -10 8   15 o 69.467  1.9544  647.114   36.364    649.183   51.291    645.022   51.563    69.579  2.7521  69.355  2.7757  0.2241135      3.908806 
1 1 1 -10 8   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 8   17 o 102.261 2.4467  1403.54   67.014    1390.22   94.480    1417.03   95.068    101.772 3.4659  102.750 3.4543  -0.9776917     4.893384 
1 1 1 -10 8   18 o 185.723 3.7286  4643.97   185.482   4637.70   262.039   4650.27   262.585   185.597 5.2712  185.848 5.2750  -0.2505188     7.457266 
1 1 1 -10 8   19 o 121.747 2.6767  1990.95   87.277    2018.39   123.185   1963.30   123.673   122.592 3.7515  120.902 3.8190  1.690643       5.353392 
1 1 1 -10 8   20 o 204.538 4.0186  5642.46   220.141   5544.63   310.873   5740.87   311.781   202.749 5.7245  206.327 5.6416  -3.577911      8.037262 
1 1 1 -10 8   21 o 95.857  2.3594  1234.35   60.560    1261.97   85.348    1206.34   85.945    96.941  3.2870  94.773  3.3857  2.168320       4.718790 
1 1 1 -10 8   22 o 179.072 3.6145  4328.85   173.341   4403.61   244.863   4253.75   245.422   180.636 5.0609  177.508 5.1618  3.127487       7.228940 
1 1 1 -10 8   23 o 87.225  2.2882  1024.28   53.369    1088.89   75.276    958.983   75.675    90.006  3.1224  84.444  3.3458  5.562103       4.576437 
1 1 1 -10 8   24 f 36.036  1.9647  176.009   18.763    187.632   26.271    163.906   26.808    37.277  2.6484  34.796  2.9029  2.480331       3.929492 
1 1 1 -10 8   25 o 170.375 7.2742  4007.48   331.954   0.0000    0.0000    4007.48   331.954   ?       ?       170.375 7.2742  ?              ?        
1 1 1 -10 8   26 o 55.967  1.9639  422.680   29.369    433.733   41.210    411.273   41.865    56.755  2.7109  55.180  2.8422  1.575569       3.927734 
1 1 1 -10 8   27 o 70.814  2.0883  677.054   39.604    684.378   55.751    669.593   56.270    71.206  2.9231  70.421  2.9832  0.7848053      4.176624 
1 1 1 -10 8   28 o 51.646  1.9612  361.304   27.028    362.889   37.988    359.679   38.463    51.766  2.7496  51.526  2.7974  0.2400894      3.922497 
1 1 1 -10 8   29 o 40.771  1.9543  226.391   21.140    245.858   29.777    206.607   30.018    42.578  2.6237  38.963  2.8971  3.615944       3.908635 
1 1 1 -10 8   30 o 59.963  2.0415  487.726   32.767    502.436   46.061    472.655   46.624    60.894  2.8240  59.031  2.9487  1.863186       4.082915 
1 1 1 -10 8   31 o 31.641  2.0964  137.429   17.524    141.721   24.319    132.794   25.275    32.187  2.8503  31.095  3.0750  1.092226       4.192832 
1 1 1 -10 8   32 o 7.1667  2.2498  -6.4293   8.9366    1.7343    12.828    -14.1266  12.457    8.2237  3.4505  6.1096  2.8879  2.114122       4.499513 
1 1 1 -10 8   33 o 19.281  5.9788  54.719    34.083    0.0000    0.0000    54.719    34.083    ?       ?       19.281  5.9788  ?              ?        
1 1 1 -10 8   34 o 28.666  2.4289  118.325   17.440    151.535   24.417    83.737    24.918    33.158  2.7748  24.174  3.9874  8.983631       4.857837 
1 1 1 -10 8   35 o 17.826  2.8267  46.496    13.176    50.961    18.863    42.240    18.413    18.706  3.8915  16.946  4.1010  1.759968       5.653483 
1 1 1 -10 8   36 o 36.469  2.1898  187.284   21.068    203.221   29.357    170.360   30.252    38.190  2.8914  34.749  3.2895  3.440830       4.379575 
1 1 1 -10 8   37 o 14.156  3.0335  29.951    12.681    35.075    17.084    23.662    18.925    15.305  4.0894  13.007  4.4815  2.298129       6.066907 
1 1 1 -10 8   38 o 14.883  3.0767  33.507    13.043    34.564    18.357    32.430    18.536    15.105  4.3197  14.661  4.3822  0.4441967      6.153332 
1 1 1 -10 8   39 o 25.204  2.5903  92.948    16.967    89.505    23.697    96.570    24.304    24.699  3.6955  25.708  3.6306  -1.008739      5.180584 
1 1 1 -10 8   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 8   41 o 14.491  3.2054  32.178    14.420    19.528    19.651    46.935    21.225    11.950  4.5047  17.032  4.5613  -5.082023      6.410787 
1 1 1 -10 9   1  o 160.958 3.2338  3472.46   139.408   3422.43   196.920   3522.73   197.388   159.795 4.6008  162.121 4.5456  -2.326248      6.467625 
1 1 1 -10 9   2  f 413.766 7.6623  23035.50  849.105   22657.19  1200.66   23414.00  1200.97   410.352 10.924  417.180 10.748  -6.828278      15.32465 
1 1 1 -10 9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 9   4  o 108.339 2.4302  1572.72   70.518    1591.34   99.923    1554.25   99.532    108.978 3.4233  107.700 3.4503  1.277916       4.860391 
1 1 1 -10 9   5  o 143.292 2.9712  2752.29   114.032   2735.98   161.446   2768.53   161.087   142.868 4.2190  143.716 4.1847  -0.8482513     5.942339 
1 1 1 -10 9   6  o 176.172 3.4974  4162.42   165.032   4175.31   233.543   4149.56   233.239   176.444 4.9416  175.899 4.9505  0.5455017      6.994802 
1 1 1 -10 9   7  o 509.166 9.4656  35145.37  1290.84   34703.09  1825.26   35587.90  1825.78   505.922 13.469  512.409 13.303  -6.486023      18.93122 
1 1 1 -10 9   8  o 134.803 2.8462  2436.93   102.763   2411.45   145.312   2462.42   145.345   134.098 4.0457  135.509 4.0044  -1.411697      5.692383 
1 1 1 -10 9   9  f 87.973  2.1500  1037.43   50.657    1020.07   71.565    1054.85   71.716    87.235  3.0628  88.711  3.0182  -1.475746      4.300066 
1 1 1 -10 9   10 o 56.486  1.8090  427.779   27.355    444.085   38.684    411.470   38.686    57.564  2.5090  55.408  2.6067  2.155750       3.618000 
1 1 1 -10 9   11 o 179.654 3.5344  4336.48   170.077   4348.64   240.407   4324.29   240.642   179.907 4.9890  179.400 5.0079  0.5066833      7.068897 
1 1 1 -10 9   12 o 56.874  1.8371  433.624   27.984    426.628   39.489    440.681   39.661    56.413  2.6134  57.335  2.5826  -0.9222527     3.674196 
1 1 1 -10 9   13 o 26.215  1.7508  92.969    12.137    88.549    17.108    97.447    17.221    25.576  2.5306  26.853  2.4203  -1.277439      3.501669 
1 1 1 -10 9   14 o 90.702  2.2385  1103.82   54.372    1128.62   76.837    1078.95   76.950    91.725  3.1275  89.680  3.2035  2.044830       4.476986 
1 1 1 -10 9   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 9   16 o 124.805 2.7086  2092.04   90.528    2133.96   127.891   2049.94   128.162   126.062 3.7876  123.548 3.8729  2.513947       5.417140 
1 1 1 -10 9   17 o 22.000  2.3510  67.565    13.012    87.967    18.561    47.846    18.247    25.461  2.7661  18.539  3.8023  6.921986       4.702027 
1 1 1 -10 9   18 o 52.853  1.8712  375.070   26.422    356.487   37.078    394.243   37.662    51.485  2.6981  54.220  2.5933  -2.734760      3.742322 
1 1 1 -10 9   19 o 251.941 4.8572  8588.27   327.760   8493.77   463.130   8683.08   463.917   250.540 6.9014  253.341 6.8367  -2.800873      9.714390 
1 1 1 -10 9   20 o 285.404 5.5333  11075.11  422.971   11196.21  597.932   10953.82  598.410   286.991 7.7785  283.817 7.8718  3.174316       11.06658 
1 1 1 -10 9   21 o 168.249 3.4874  3818.46   157.161   3806.34   221.903   3830.65   222.616   167.981 4.9319  168.517 4.9320  -0.5355530     6.974849 
1 1 1 -10 9   22 o 62.086  1.9983  518.031   33.214    532.274   46.679    503.426   47.268    62.955  2.7683  61.218  2.8827  1.737007       3.996680 
1 1 1 -10 9   23 o 130.955 2.8907  2314.23   101.388   2332.40   143.020   2295.88   143.753   131.478 4.0612  130.432 4.1147  1.046402       5.781375 
1 1 1 -10 9   24 o 81.499  2.2026  894.459   48.079    897.352   67.738    891.521   68.252    81.635  3.0979  81.364  3.1318  0.2704773      4.405142 
1 1 1 -10 9   25 o 76.660  2.1428  792.203   43.996    791.870   61.812    792.545   62.635    76.647  3.0109  76.673  3.0499  -0.2621460E-01 4.285680 
1 1 1 -10 9   26 o 95.208  2.4135  1226.57   61.546    1226.93   86.703    1226.20   87.378    95.226  3.3993  95.190  3.4271  0.3627777E-01  4.827018 
1 1 1 -10 9   27 o 41.460  1.9458  233.625   21.420    251.936   30.151    214.965   30.437    43.135  2.6221  39.786  2.8755  3.349010       3.891550 
1 1 1 -10 9   28 o 40.868  1.9311  227.470   20.937    246.158   29.364    208.144   29.861    42.617  2.5846  39.119  2.8699  3.498096       3.862208 
1 1 1 -10 9   29 o 47.643  1.9549  308.273   24.838    305.298   34.847    311.345   35.411    47.411  2.7560  47.876  2.7733  -0.4646797     3.909798 
1 1 1 -10 9   30 o 20.598  2.4756  60.576    12.951    73.642    18.032    46.654    18.614    23.098  2.9844  18.098  3.9507  4.999187       4.951227 
1 1 1 -10 9   31 o 49.595  2.0177  336.306   26.623    360.246   37.483    311.931   37.821    51.424  2.7311  47.766  2.9708  3.657635       4.035443 
1 1 1 -10 9   32 o 14.608  2.8230  30.610    11.363    31.495    15.957    29.700    16.185    14.808  3.9502  14.407  4.0341  0.4010496      5.646032 
1 1 1 -10 9   33 f 26.666  2.3295  99.433    16.255    92.662    22.765    106.476   23.217    25.695  3.3905  27.637  3.1953  -1.942671      4.658903 
1 1 1 -10 9   34 o 13.229  2.9626  24.500    11.951    18.681    16.925    30.286    16.876    12.026  4.2326  14.432  4.1464  -2.405795      5.925124 
1 1 1 -10 9   35 o 50.715  2.1123  357.998   28.558    362.147   40.069    353.715   40.712    51.042  2.9433  50.388  3.0307  0.6545944      4.224687 
1 1 1 -10 9   36 o 32.996  2.2506  154.221   19.580    161.038   27.130    146.810   28.286    33.847  3.0244  32.144  3.3338  1.703045       4.501235 
1 1 1 -10 9   37 o 20.643  2.7364  64.693    14.380    87.550    20.278    41.572    20.395    24.792  3.1230  16.494  4.4942  8.298611       5.472727 
1 1 1 -10 9   38 o 26.744  2.5801  103.928   17.727    83.893    24.359    126.489   25.848    23.784  3.9631  29.704  3.3048  -5.920250      5.160222 
1 1 1 -10 9   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 9   40 o 18.748  3.0208  55.428    14.914    45.921    21.166    64.801    21.017    16.923  4.5645  20.572  3.9579  -3.648829      6.041553 
1 1 1 -10 10  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 10  2  o 86.553  2.2162  1003.92   51.363    1033.86   72.701    974.092   72.576    87.842  3.0900  85.264  3.1779  2.577972       4.432459 
1 1 1 -10 10  3  o 129.767 2.7820  2257.23   96.686    2221.59   136.881   2292.73   136.589   128.743 3.9695  130.790 3.8990  -2.047073      5.564060 
1 1 1 -10 10  4  o 350.618 6.5707  16547.24  617.068   16545.83  872.885   16548.65  872.448   350.602 9.2951  350.633 9.2896  -0.3094482E-01 13.14137 
1 1 1 -10 10  5  o 108.587 2.4573  1580.51   71.467    1563.44   101.238   1597.45   100.901   108.002 3.4996  109.172 3.4506  -1.169579      4.914693 
1 1 1 -10 10  6  o 393.361 7.3019  20894.75  769.320   21069.71  1088.32   20720.00  1087.65   395.019 10.286  391.702 10.367  3.317230       14.60386 
1 1 1 -10 10  7  o 63.792  1.8937  545.343   32.357    545.891   45.891    544.800   45.628    63.824  2.6845  63.760  2.6718  0.6362152E-01  3.787438 
1 1 1 -10 10  8  o 200.126 3.9269  5381.58   210.484   5313.60   297.679   5449.54   297.659   198.858 5.5888  201.394 5.5180  -2.536072      7.853844 
1 1 1 -10 10  9  o 69.618  1.9737  649.892   36.783    675.615   52.073    624.276   51.965    70.994  2.7384  68.241  2.8430  2.753082       3.947355 
1 1 1 -10 10  10 o 101.967 2.3937  1394.88   65.357    1434.92   92.473    1354.91   92.385    103.432 3.3379  100.502 3.4319  2.929359       4.787422 
1 1 1 -10 10  11 o 157.770 3.2435  3345.01   137.008   3457.95   193.804   3232.18   193.713   160.441 4.5098  155.099 4.6630  5.342484       6.487014 
1 1 1 -10 10  12 o 107.689 2.4496  1556.13   70.656    1548.68   99.834    1563.62   100.012   107.431 3.4694  107.948 3.4590  -0.5176697     4.899136 
1 1 1 -10 10  13 o 91.957  2.2506  1134.48   55.426    1108.62   78.210    1160.57   78.559    90.903  3.2122  93.011  3.1533  -2.108543      4.501278 
1 1 1 -10 10  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 10  15 o 321.873 6.1529  14073.42  530.411   13842.37  749.693   14304.98  750.534   319.192 8.7688  324.553 8.6337  -5.360718      12.30582 
1 1 1 -10 10  16 o 55.564  1.9502  414.835   28.951    431.283   40.878    398.282   41.008    56.708  2.6912  54.419  2.8231  2.289429       3.900341 
1 1 1 -10 10  17 o 245.335 4.6958  8132.75   308.549   8018.19   436.011   8247.67   436.699   243.590 6.6827  247.079 6.5987  -3.488800      9.391505 
1 1 1 -10 10  18 o 160.420 3.3269  3463.58   142.936   3518.72   201.932   3408.22   202.353   161.706 4.6622  159.133 4.7474  2.573196       6.653872 
1 1 1 -10 10  19 o 122.089 2.7541  2003.83   90.047    1956.94   127.007   2051.22   127.688   120.649 3.9302  123.529 3.8591  -2.880783      5.508134 
1 1 1 -10 10  20 o 153.747 3.2454  3186.08   133.623   3249.93   188.724   3121.89   189.221   155.303 4.5369  152.191 4.6418  3.111679       6.490768 
1 1 1 -10 10  21 o 81.306  2.1998  888.701   47.895    906.975   67.482    870.152   67.988    82.153  3.0668  80.460  3.1547  1.693039       4.399698 
1 1 1 -10 10  22 o 241.524 4.7543  7971.20   307.561   7937.08   434.567   8005.44   435.347   241.000 6.7321  242.048 6.7150  -1.047897      9.508532 
1 1 1 -10 10  23 f 33.837  1.9179  155.488   17.168    167.444   23.991    142.939   24.578    35.203  2.5619  32.472  2.8549  2.730381       3.835857 
1 1 1 -10 10  24 o 137.888 3.6072  2587.73   126.309   2576.83   155.580   2608.78   216.338   137.856 4.2135  137.919 5.8562  -0.6355286E-01 7.214468 
1 1 1 -10 10  25 f 29.607  1.9796  119.331   15.494    121.771   21.552    116.720   22.289    29.937  2.7174  29.278  2.8795  0.6587505      3.959270 
1 1 1 -10 10  26 o 34.763  1.9456  164.055   17.920    149.118   24.985    179.878   25.717    33.108  2.8451  36.419  2.6546  -3.310646      3.891247 
1 1 1 -10 10  27 o 107.802 2.5533  1581.46   73.724    1579.87   103.842   1583.07   104.686   107.753 3.5979  107.850 3.6239  -0.9664917E-01 5.106644 
1 1 1 -10 10  28 o 72.947  2.1729  722.602   42.421    750.066   59.710    694.612   60.279    74.371  2.9975  71.523  3.1465  2.847321       4.345705 
1 1 1 -10 10  29 o 36.284  2.0524  180.520   19.688    194.809   27.445    165.372   28.258    37.819  2.7277  34.749  3.0675  3.070282       4.104859 
1 1 1 -10 10  30 o 10.717  2.7021  12.983    9.9947    7.4513    13.821    19.046    14.470    9.4772  3.7231  11.957  3.9171  -2.479331      5.404179 
1 1 1 -10 10  31 o 38.978  2.0228  208.277   20.959    208.818   29.181    207.700   30.122    39.047  2.8089  38.910  2.9114  0.1371231      4.045525 
1 1 1 -10 10  32 o 11.517  4.1289  16.226    16.177    16.226    16.177    0.0000    0.0000    11.517  4.1289  ?       ?       ?              ?        
1 1 1 -10 10  33 o 10.257  2.8117  9.3984    11.251    15.373    16.031    3.5991    15.794    11.282  4.1012  9.2315  3.8475  2.050174       5.623425 
1 1 1 -10 10  34 o 43.102  2.1259  259.039   24.336    275.075   34.220    242.630   34.615    44.524  2.8849  41.680  3.1234  2.844273       4.251851 
1 1 1 -10 10  35 o 10.660  2.8481  12.598    11.286    16.909    15.577    7.8348    16.373    11.404  4.0555  9.9172  3.9999  1.486292       5.696160 
1 1 1 -10 10  36 o 31.439  2.2549  140.210   18.721    137.682   26.123    142.880   26.843    31.153  3.1750  31.725  3.2027  -0.5723972     4.509799 
1 1 1 -10 10  37 o 23.971  2.6232  84.277    16.237    87.357    22.339    80.827    23.643    24.554  3.4954  23.387  3.9125  1.167048       5.246447 
1 1 1 -10 10  38 o 35.634  2.2571  181.592   21.312    178.639   29.852    184.661   30.436    35.339  3.1880  35.928  3.1961  -0.5887947     4.514296 
1 1 1 -10 10  39 o 18.834  3.0927  56.330    15.454    67.541    21.479    44.297    22.253    21.071  3.9509  16.598  4.7590  4.473169       6.185335 
1 1 1 -10 11  1  o 145.288 3.0351  2830.09   118.091   2762.69   166.632   2898.09   167.382   143.548 4.3338  147.027 4.2503  -3.478775      6.070186 
1 1 1 -10 11  2  o 193.902 3.8458  5044.87   199.732   5008.42   282.399   5081.35   282.528   193.200 5.4572  194.604 5.4203  -1.403992      7.691550 
1 1 1 -10 11  3  o 233.250 4.4749  7307.02   279.573   7294.35   395.566   7319.67   395.186   233.047 6.3370  233.453 6.3200  -0.4058685     8.949856 
1 1 1 -10 11  4  o 234.446 4.5333  7388.14   284.513   7102.58   402.370   7673.67   402.356   229.899 6.5343  238.993 6.2854  -9.094299      9.066637 
1 1 1 -10 11  5  o 71.201  1.9671  679.383   37.513    684.972   53.265    673.883   52.841    71.491  2.7816  70.910  2.7821  0.5810318      3.934165 
1 1 1 -10 11  6  o 175.317 3.5178  4127.80   165.120   4274.13   233.884   3982.40   233.146   178.422 4.8940  172.212 5.0545  6.210922       7.035545 
1 1 1 -10 11  7  o 77.441  2.0625  803.937   42.777    819.253   60.709    788.835   60.286    78.174  2.8994  76.708  2.9342  1.465904       4.124997 
1 1 1 -10 11  8  o 208.390 4.1218  5842.21   230.054   5778.40   325.423   5905.96   325.268   207.247 5.8623  209.533 5.7956  -2.285767      8.243545 
1 1 1 -10 11  9  o 231.203 4.4797  7200.85   277.413   7185.07   392.371   7216.62   392.271   230.948 6.3430  231.458 6.3274  -0.5098114     8.959312 
1 1 1 -10 11  10 o 67.891  1.9416  618.550   35.246    663.087   49.988    574.515   49.705    70.326  2.6537  65.456  2.8351  4.870316       3.883287 
1 1 1 -10 11  11 o 22.845  1.8741  71.092    11.157    81.761    15.949    60.868    15.612    24.574  2.4561  21.117  2.8315  3.456728       3.748279 
1 1 1 -10 11  12 o 147.388 3.1023  2919.18   122.473   2909.86   173.131   2928.52   173.275   147.152 4.3926  147.624 4.3822  -0.4722443     6.204696 
1 1 1 -10 11  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 11  14 o 178.757 3.5691  4300.31   170.880   4242.24   241.367   4358.67   241.955   177.542 5.0756  179.972 5.0193  -2.429626      7.138251 
1 1 1 -10 11  15 o 97.469  2.3732  1275.10   61.956    1272.57   87.456    1277.65   87.783    97.372  3.3533  97.566  3.3591  -0.1936951     4.746346 
1 1 1 -10 11  16 o 126.140 2.7582  2137.59   93.179    2096.69   131.530   2178.81   132.023   124.925 3.9308  127.354 3.8703  -2.429169      5.516410 
1 1 1 -10 11  17 o 126.403 2.8153  2147.49   95.299    2094.09   134.455   2201.39   135.093   124.820 4.0216  127.987 3.9408  -3.166908      5.630559 
1 1 1 -10 11  18 o 178.754 3.6165  4307.81   173.155   4302.47   244.550   4313.19   245.207   178.644 5.1108  178.865 5.1182  -0.2206726     7.233032 
1 1 1 -10 11  19 o 52.489  1.8961  370.177   26.601    357.687   37.320    383.077   37.928    51.551  2.7123  53.426  2.6504  -1.874352      3.792286 
1 1 1 -10 11  20 o 32.505  1.9652  143.525   16.844    159.357   23.718    127.414   23.926    34.355  2.5967  30.655  2.9504  3.699877       3.930328 
1 1 1 -10 11  21 o 181.911 3.6701  4486.35   178.779   4361.61   252.334   4612.07   253.331   179.345 5.2529  184.477 5.1269  -5.131607      7.340185 
1 1 1 -10 11  22 o 45.770  1.9024  282.602   23.198    267.297   32.527    298.447   33.096    44.498  2.7424  47.042  2.6373  -2.543854      3.804734 
1 1 1 -10 11  23 o 85.871  4.7920  1006.40   109.778   1006.40   109.778   0.0000    0.0000    85.871  4.7920  ?       ?       ?              ?        
1 1 1 -10 11  24 o 42.327  1.9225  242.383   21.669    231.956   30.375    253.187   30.922    41.391  2.7556  43.263  2.6817  -1.872570      3.845076 
1 1 1 -10 11  25 o 55.175  1.9549  411.395   28.837    401.826   40.456    421.278   41.116    54.486  2.7814  55.865  2.7478  -1.379398      3.909801 
1 1 1 -10 11  26 o 27.801  2.0507  105.522   15.034    100.782   20.831    110.676   21.720    27.141  2.9109  28.460  2.8893  -1.319136      4.101404 
1 1 1 -10 11  27 o 34.357  1.9630  160.753   17.898    152.956   25.110    168.806   25.517    33.495  2.8252  35.220  2.7261  -1.724621      3.926007 
1 1 1 -10 11  28 o 24.028  2.2472  79.751    14.018    69.323    19.409    91.122    20.268    22.320  3.3500  25.736  2.9963  -3.415554      4.494484 
1 1 1 -10 11  29 o 72.396  2.1642  714.018   41.964    702.927   59.101    725.295   59.594    71.824  3.0721  72.967  3.0492  -1.143105      4.328475 
1 1 1 -10 11  30 o 25.012  2.2632  87.055    14.788    89.133    20.506    84.803    21.345    25.361  3.0821  24.664  3.3150  0.6969547      4.526456 
1 1 1 -10 11  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 11  32 o 23.024  2.5225  75.859    14.714    56.283    20.437    96.927    21.202    19.692  4.0110  26.357  3.0602  -6.665070      5.045057 
1 1 1 -10 11  33 o 38.696  2.1490  209.790   21.842    243.812   30.947    176.020   30.832    41.985  2.7675  35.408  3.2885  6.576397       4.298015 
1 1 1 -10 11  34 o 9.4994  2.4541  0.1875    10.210    24.581    15.098    -20.3701  13.860    13.015  3.9697  5.9843  2.8864  7.030273       4.908120 
1 1 1 -10 11  35 o 27.875  2.4798  112.483   17.757    134.523   25.199    90.744    25.026    30.849  3.0912  24.902  3.8784  5.947018       4.959617 
1 1 1 -10 11  36 o 29.555  2.4004  125.501   18.511    109.136   25.909    142.567   26.457    27.435  3.6136  31.675  3.1607  -4.239128      4.800854 
1 1 1 -10 11  37 o 10.359  2.5687  -0.5445   12.224    32.566    17.151    -34.7312  17.427    14.635  4.1720  6.0821  2.9978  8.553149       5.137344 
1 1 1 -10 11  38 o 15.513  3.3453  35.071    15.167    23.868    19.200    53.666    24.736    12.812  4.5082  18.214  4.9437  -5.401722      6.690622 
1 1 1 -10 12  1  o 210.033 4.0901  5923.86   230.087   5852.19   324.946   5995.93   325.841   208.756 5.8114  211.310 5.7570  -2.553650      8.180211 
1 1 1 -10 12  2  o 65.583  1.9415  576.653   34.087    598.540   48.175    554.709   48.237    66.831  2.6912  64.336  2.7992  2.495232       3.883098 
1 1 1 -10 12  3  o 74.985  2.0189  753.700   40.537    776.381   57.446    731.206   57.210    76.110  2.8180  73.861  2.8918  2.249001       4.037747 
1 1 1 -10 12  4  o 311.177 5.8299  13064.18  485.914   13039.66  687.402   13088.67  686.970   310.882 8.2552  311.471 8.2344  -0.5894470     11.65988 
1 1 1 -10 12  5  o 266.523 5.0634  9572.29   361.460   9548.24   511.416   9596.28   510.948   266.186 7.1730  266.861 7.1483  -0.6744080     10.12670 
1 1 1 -10 12  6  o 104.656 2.4343  1469.15   68.238    1471.25   96.706    1467.07   96.302    104.730 3.4474  104.582 3.4379  0.1485138      4.868625 
1 1 1 -10 12  7  o 269.375 5.2130  9794.82   376.108   9917.91   532.240   9672.04   531.554   271.078 7.3304  267.673 7.4140  3.404907       10.42601 
1 1 1 -10 12  8  o 111.206 2.4879  1659.39   74.103    1676.85   104.976   1642.05   104.620   111.790 3.5059  110.622 3.5309  1.167450       4.975773 
1 1 1 -10 12  9  o 119.298 2.6358  1910.70   84.188    1978.80   119.314   1843.18   118.807   121.419 3.6687  117.176 3.7854  4.243095       5.271513 
1 1 1 -10 12  10 o 296.073 5.6206  11869.58  445.705   12013.47  630.503   11725.86  630.141   297.886 7.9022  294.261 7.9950  3.624908       11.24118 
1 1 1 -10 12  11 o 154.009 6.4836  3200.91   267.457   0.0000    0.0000    3200.91   267.457   ?       ?       154.009 6.4836  ?              ?        
1 1 1 -10 12  12 o 99.203  2.8884  1330.79   72.811    1350.12   90.108    1294.42   123.592   100.299 3.3541  98.107  4.7033  2.191826       5.776764 
1 1 1 -10 12  13 o 66.527  1.9713  593.749   35.115    576.108   49.650    611.405   49.671    65.537  2.8284  67.518  2.7466  -1.980797      3.942558 
1 1 1 -10 12  14 o 73.192  2.0776  718.753   40.715    693.466   57.410    744.340   57.749    71.895  2.9813  74.489  2.8944  -2.594261      4.155215 
1 1 1 -10 12  15 o 138.596 2.9622  2582.04   109.963   2560.26   155.298   2603.94   155.727   138.009 4.2012  139.184 4.1772  -1.175369      5.924415 
1 1 1 -10 12  16 o 206.307 4.0862  5744.18   225.794   5700.29   319.009   5788.24   319.634   205.513 5.7953  207.102 5.7621  -1.588409      8.172325 
1 1 1 -10 12  17 o 230.925 4.5122  7219.56   278.995   6989.77   393.986   7450.68   395.133   227.202 6.4741  234.647 6.2869  -7.444427      9.024381 
1 1 1 -10 12  18 o 175.983 3.5860  4181.42   169.024   4219.47   238.707   4143.15   239.367   176.794 5.0409  175.171 5.1017  1.623047       7.172007 
1 1 1 -10 12  19 o 43.414  1.9114  254.219   22.098    265.178   31.241    243.245   31.262    44.361  2.6413  42.467  2.7635  1.893898       3.822714 
1 1 1 -10 12  20 o 113.727 2.6160  1743.23   79.684    1750.77   112.412   1735.61   112.972   113.977 3.6822  113.476 3.7169  0.5011749      5.231967 
1 1 1 -10 12  21 o 99.424  2.3982  1332.73   63.859    1345.86   89.994    1319.42   90.631    99.923  3.3625  98.926  3.4204  0.9977570      4.796404 
1 1 1 -10 12  22 o 60.283  4.2726  495.381   68.541    495.381   68.541    0.0000    0.0000    60.283  4.2726  ?       ?       ?              ?        
1 1 1 -10 12  23 o 14.428  2.4867  29.319    9.5502    32.753    13.494    25.872    13.519    15.268  3.3882  13.588  3.6408  1.679996       4.973473 
1 1 1 -10 12  24 o 17.918  2.3772  44.902    10.987    46.385    15.493    43.401    15.584    18.235  3.2932  17.600  3.4291  0.6352692      4.754389 
1 1 1 -10 12  25 o 60.676  2.0399  498.326   33.135    513.191   46.655    483.197   47.069    61.602  2.8276  59.751  2.9410  1.850998       4.079827 
1 1 1 -10 12  26 o 73.648  2.1439  735.511   42.276    708.369   59.377    763.414   60.205    72.259  3.0679  75.037  2.9955  -2.777458      4.287770 
1 1 1 -10 12  27 o 44.936  1.9873  275.323   23.748    292.243   33.353    257.925   33.821    46.373  2.6969  43.500  2.9196  2.872795       3.974598 
1 1 1 -10 12  28 o 61.362  2.0846  512.362   34.254    515.956   48.021    508.639   48.874    61.593  2.9108  61.131  2.9849  0.4624023      4.169191 
1 1 1 -10 12  29 o 37.324  2.0226  191.103   20.044    197.084   28.045    184.859   28.658    37.949  2.7784  36.699  2.9401  1.249489       4.045211 
1 1 1 -10 12  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 12  31 o 43.203  2.0723  257.723   23.828    260.311   33.328    255.016   34.079    43.447  2.8803  42.958  2.9802  0.4893990      4.144596 
1 1 1 -10 12  32 o 33.769  2.1757  159.356   19.431    167.943   27.389    150.654   27.571    34.738  2.9722  32.800  3.1782  1.937702       4.351435 
1 1 1 -10 12  33 o 8.7264  2.5709  2.7142    10.203    8.1238    13.959    -3.4913   14.951    9.4727  3.7352  7.9802  3.5336  1.492557       5.141768 
1 1 1 -10 12  34 o 9.7734  2.6771  6.5644    10.634    -3.5735   14.408    18.694    15.760    7.7912  3.4585  11.756  4.0874  -3.964437      5.354234 
1 1 1 -10 12  35 f 42.168  2.1831  250.730   24.462    236.396   34.052    266.016   35.165    40.886  3.1332  43.450  3.0407  -2.563377      4.366117 
1 1 1 -10 12  36 o 25.021  2.6754  91.848    17.277    79.996    23.790    105.075   25.132    23.178  3.9751  26.865  3.5819  -3.686800      5.350874 
1 1 1 -10 12  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 12  38 o 12.441  3.1480  22.774    13.293    23.643    18.240    21.789    19.412    12.570  4.3958  12.311  4.5072  0.2594261      6.295902 
1 1 1 -10 13  1  o 148.418 3.0942  2956.41   122.984   2884.31   173.494   3029.22   174.361   146.596 4.4185  150.240 4.3329  -3.643616      6.188439 
1 1 1 -10 13  2  f 282.295 5.3903  10747.25  407.515   10537.46  576.004   10957.49  576.622   279.519 7.6935  285.072 7.5518  -5.552917      10.78052 
1 1 1 -10 13  3  o 226.982 4.3851  6933.97   266.599   6898.18   377.089   6969.74   376.966   226.393 6.2186  227.571 6.1844  -1.177368      8.770260 
1 1 1 -10 13  4  o 208.080 4.0559  5824.95   226.048   5875.83   319.945   5774.23   319.415   208.990 5.7156  207.169 5.7563  1.821503       8.111873 
1 1 1 -10 13  5  o 126.104 2.7556  2134.73   93.065    2100.93   131.812   2168.32   131.416   125.106 3.9336  127.102 3.8602  -1.996017      5.511282 
1 1 1 -10 13  6  o 77.915  2.0985  814.325   43.784    796.793   62.073    831.685   61.769    77.079  3.0066  78.751  2.9284  -1.672470      4.197047 
1 1 1 -10 13  7  o 20.564  1.8776  57.720    10.075    56.364    14.649    58.937    13.878    20.316  2.7638  20.812  2.5423  -0.4964676     3.755286 
1 1 1 -10 13  8  o 41.327  1.7608  229.761   19.398    234.812   27.639    224.858   27.230    41.777  2.4812  40.877  2.4991  0.8997040      3.521587 
1 1 1 -10 13  9  o 217.848 4.2736  6398.06   249.367   6409.94   352.840   6386.20   352.477   218.050 6.0413  217.645 6.0463  0.4053192      8.547270 
1 1 1 -10 13  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 13  11 o 143.844 3.0151  2781.76   116.100   2673.21   164.111   2890.53   164.270   141.024 4.3447  146.664 4.1816  -5.640121      6.030110 
1 1 1 -10 13  12 o 97.879  2.3839  1285.93   62.499    1283.81   88.445    1288.05   88.330    97.798  3.3764  97.960  3.3664  -0.1621323     4.767886 
1 1 1 -10 13  13 o 63.296  1.9852  537.424   33.656    534.601   47.660    540.232   47.534    63.130  2.8186  63.462  2.7964  -0.3323936     3.970463 
1 1 1 -10 13  14 o 93.322  2.2784  1169.00   56.950    1173.14   80.543    1164.86   80.536    93.488  3.2165  93.157  3.2277  0.3309479      4.556731 
1 1 1 -10 13  15 o 203.920 4.0418  5613.02   220.763   5592.11   312.030   5633.98   312.383   203.538 5.7235  204.302 5.7085  -0.7646332     8.083680 
1 1 1 -10 13  16 f 52.141  1.9041  365.777   26.499    358.134   37.311    373.556   37.641    51.589  2.7097  52.694  2.6757  -1.105190      3.808124 
1 1 1 -10 13  17 o 37.269  1.9129  187.536   18.943    198.244   26.864    176.946   26.716    38.340  2.6319  36.197  2.7768  2.143570       3.825857 
1 1 1 -10 13  18 o 68.059  2.0407  622.472   37.197    628.456   52.434    616.409   52.778    68.391  2.8624  67.728  2.9093  0.6623306      4.081351 
1 1 1 -10 13  19 o 26.282  2.0448  94.063    14.133    99.886    20.025    88.284    19.948    27.116  2.7973  25.448  2.9831  1.667841       4.089514 
1 1 1 -10 13  20 o 51.664  1.9684  360.741   27.045    399.721   38.261    321.818   38.233    54.521  2.6200  48.808  2.9383  5.713142       3.936706 
1 1 1 -10 13  21 o 94.295  2.8297  1202.08   68.174    1195.68   84.495    1214.02   115.399   94.100  3.3524  94.491  4.5596  -0.3902512     5.659342 
1 1 1 -10 13  22 o 84.920  2.2820  975.761   51.841    1027.27   73.122    923.710   73.508    87.198  3.1308  82.641  3.3209  4.556992       4.563975 
1 1 1 -10 13  23 o 21.243  2.2261  62.161    12.182    52.192    16.728    73.417    17.775    19.358  3.3473  23.127  2.9355  -3.768915      4.452161 
1 1 1 -10 13  24 o 76.151  2.1889  786.276   44.620    809.036   62.721    762.955   63.490    77.286  3.0299  75.016  3.1598  2.270210       4.377742 
1 1 1 -10 13  25 o 73.261  2.1538  727.852   42.230    689.347   59.177    767.810   60.283    71.270  3.1000  75.251  2.9908  -3.981102      4.307547 
1 1 1 -10 13  26 o 28.729  2.0948  113.088   15.879    108.507   22.079    117.996   22.853    28.117  2.9770  29.341  2.9479  -1.223225      4.189582 
1 1 1 -10 13  27 o 20.629  2.4316  59.756    12.947    61.711    18.045    57.681    18.585    21.015  3.3157  20.242  3.5577  0.7732449      4.863255 
1 1 1 -10 13  28 o 13.941  2.7694  27.649    10.976    34.247    15.320    20.689    15.733    15.460  3.7402  12.421  4.0852  3.038853       5.538780 
1 1 1 -10 13  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 13  30 o 9.8440  2.7346  8.0620    10.722    12.793    14.961    3.0663    15.373    10.629  3.9454  9.0594  3.7875  1.569325       5.469181 
1 1 1 -10 13  31 o 18.378  2.7272  49.774    13.006    58.634    18.098    40.311    18.704    20.240  3.4629  16.516  4.2142  3.723179       5.454452 
1 1 1 -10 13  32 o 24.488  2.4503  86.425    15.460    96.160    21.461    75.921    22.291    26.094  3.1332  22.882  3.7682  3.212149       4.900643 
1 1 1 -10 13  33 o 34.088  2.2254  164.054   20.085    162.197   28.052    166.006   28.769    33.901  3.1245  34.274  3.1697  -0.3735237     4.450779 
1 1 1 -10 13  34 o 29.472  2.3968  125.286   18.368    140.720   25.653    109.050   26.311    31.532  3.0765  27.411  3.6762  4.121151       4.793653 
1 1 1 -10 13  35 o 20.921  2.8692  65.149    15.457    52.616    21.028    79.881    22.799    18.562  4.3120  23.280  3.7864  -4.718363      5.738460 
1 1 1 -10 13  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 13  37 o 20.639  2.9175  68.141    15.645    96.374    22.136    39.961    22.115    25.603  3.3050  15.674  4.8088  9.929447       5.835009 
1 1 1 -10 14  1  o 17.932  2.0175  44.979    9.1712    55.379    12.855    34.198    13.088    20.182  2.4267  15.682  3.2236  4.499611       4.034969 
1 1 1 -10 14  2  o 49.206  1.8317  325.497   24.054    327.837   33.938    323.134   34.099    49.385  2.5746  49.026  2.6060  0.3586578      3.663299 
1 1 1 -10 14  3  o 121.547 2.7081  1983.70   88.122    2058.36   124.712   1909.25   124.534   123.837 3.7599  119.257 3.8987  4.579605       5.416278 
1 1 1 -10 14  4  o 178.509 3.6227  4286.11   173.197   4362.73   245.217   4209.83   244.658   180.107 5.0831  176.911 5.1632  3.196136       7.245439 
1 1 1 -10 14  5  o 152.839 3.1750  3139.36   129.954   3211.28   184.112   3067.95   183.454   154.588 4.4465  151.089 4.5332  3.499359       6.349905 
1 1 1 -10 14  6  o 143.775 3.0374  2777.79   116.955   2731.87   165.582   2823.50   165.216   142.585 4.3356  144.966 4.2550  -2.380539      6.074733 
1 1 1 -10 14  7  o 153.420 3.1401  3163.92   129.016   3236.99   182.761   3091.34   182.153   155.191 4.3967  151.648 4.4844  3.542557       6.280231 
1 1 1 -10 14  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 14  9  o 34.781  2.3153  172.828   19.843    197.119   25.253    133.626   32.081    38.262  2.4774  31.299  3.9121  6.962881       4.630577 
1 1 1 -10 14  10 o 26.983  2.0179  99.260    14.233    85.666    20.151    112.795   20.107    25.083  3.0630  28.883  2.6278  -3.800016      4.035766 
1 1 1 -10 14  11 o 21.777  2.2313  65.134    12.576    58.287    17.773    71.998    17.796    20.577  3.3393  22.977  2.9606  -2.399858      4.462680 
1 1 1 -10 14  12 o 106.070 2.4657  1510.83   70.041    1478.88   99.055    1542.77   99.051    104.945 3.5239  107.194 3.4498  -2.248802      4.931455 
1 1 1 -10 14  13 o 87.477  2.2476  1027.20   52.662    1022.94   74.543    1031.45   74.407    87.295  3.1881  87.658  3.1690  -0.3636703     4.495188 
1 1 1 -10 14  14 o 85.147  2.2076  974.596   50.237    898.250   70.911    1051.53   71.182    81.787  3.2370  88.507  3.0026  -6.719925      4.415169 
1 1 1 -10 14  15 o 81.259  2.1565  886.772   46.936    881.447   66.369    892.100   66.387    81.015  3.0585  81.504  3.0410  -0.4893723     4.313030 
1 1 1 -10 14  16 f 136.761 2.9090  2520.08   106.549   2475.22   150.479   2565.18   150.887   135.535 4.1451  137.988 4.0825  -2.453476      5.817935 
1 1 1 -10 14  17 o 74.822  2.1390  752.667   42.866    749.444   60.536    755.909   60.709    74.661  3.0271  74.983  3.0228  -0.3217545     4.277910 
1 1 1 -10 14  18 o 92.669  2.3358  1156.55   57.967    1129.43   81.767    1183.96   82.190    91.572  3.3337  93.766  3.2726  -2.194427      4.671532 
1 1 1 -10 14  19 o 134.629 6.1461  2484.99   221.631   0.0000    0.0000    2484.99   221.631   ?       ?       134.629 6.1461  ?              ?        
1 1 1 -10 14  20 o 42.044  1.9063  239.017   21.354    236.852   30.125    241.203   30.273    41.851  2.7019  42.237  2.6899  -0.3859596     3.812592 
1 1 1 -10 14  21 o 32.143  1.9584  140.867   16.604    156.059   23.417    125.508   23.546    33.932  2.5963  30.354  2.9326  3.578438       3.916707 
1 1 1 -10 14  22 o 54.643  1.9761  404.241   28.836    421.801   40.578    386.328   40.984    55.895  2.7104  53.391  2.8765  2.504196       3.952244 
1 1 1 -10 14  23 o 54.174  1.9984  398.119   28.890    402.650   40.554    393.450   41.165    54.497  2.7876  53.851  2.8643  0.6460876      3.996834 
1 1 1 -10 14  24 o 71.958  2.1423  702.342   41.287    696.323   57.896    708.570   58.895    71.648  3.0168  72.268  3.0426  -0.6194916     4.284692 
1 1 1 -10 14  25 o 29.472  2.0540  119.014   16.000    120.846   22.514    117.144   22.741    29.713  2.8644  29.232  2.9446  0.4809799      4.107993 
1 1 1 -10 14  26 o 20.493  2.4740  59.619    12.975    68.609    18.072    50.054    18.640    22.230  3.1212  18.757  3.8395  3.472597       4.948083 
1 1 1 -10 14  27 o 23.483  2.3082  76.890    14.124    75.251    19.874    78.562    20.076    23.219  3.2874  23.746  3.2411  -0.5267773     4.616495 
1 1 1 -10 14  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 14  29 o 12.687  2.7992  21.136    11.527    34.611    16.164    7.1931    16.443    15.429  3.9073  9.9454  4.0094  5.483286       5.598392 
1 1 1 -10 14  30 o 43.229  2.1270  260.442   24.376    279.704   34.041    240.168   34.923    44.965  2.8410  41.492  3.1662  3.472942       4.253994 
1 1 1 -10 14  31 o 22.793  2.5294  75.586    14.729    87.632    20.531    62.814    21.141    24.891  3.1500  20.694  3.9584  4.197376       5.058807 
1 1 1 -10 14  32 f 10.142  2.7756  10.463    10.846    13.929    14.840    6.4902    15.891    10.695  3.9371  9.5882  3.9135  1.107049       5.551256 
1 1 1 -10 14  33 o 15.142  3.0286  34.168    13.345    22.050    18.699    46.747    19.050    12.655  4.4493  17.629  4.1102  -4.974166      6.057186 
1 1 1 -10 14  34 o 9.7277  2.5030  1.9672    10.736    25.808    15.314    -21.0781  15.056    13.187  3.9927  6.2685  3.0198  6.918468       5.006019 
1 1 1 -10 14  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 14  36 o 14.151  3.0033  30.369    13.605    47.646    18.984    12.124    19.509    17.468  4.1237  10.834  4.3674  6.634030       6.006531 
1 1 1 -10 15  1  o 223.839 4.3986  6754.27   263.684   6615.17   372.336   6894.23   373.478   221.514 6.2755  226.164 6.1653  -4.650101      8.797276 
1 1 1 -10 15  2  o 25.231  1.8773  86.942    12.333    101.312   17.428    72.529    17.455    27.386  2.4001  23.076  2.8872  4.310202       3.754535 
1 1 1 -10 15  3  o 90.455  2.2567  1097.84   54.669    1076.84   77.247    1118.91   77.380    89.587  3.2192  91.323  3.1635  -1.736023      4.513380 
1 1 1 -10 15  4  o 172.544 3.5113  4005.46   162.268   3961.30   229.593   4049.54   229.370   171.589 4.9955  173.499 4.9357  -1.909973      7.022555 
1 1 1 -10 15  5  f 55.277  1.8700  409.724   27.683    418.398   39.313    401.192   38.988    55.857  2.6277  54.696  2.6612  1.161549       3.739902 
1 1 1 -10 15  6  o 175.275 7.1951  4155.88   337.788   0.0000    0.0000    4155.88   337.788   ?       ?       175.275 7.1951  ?              ?        
1 1 1 -10 15  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 15  8  o 218.562 4.2981  6445.25   251.612   6497.42   356.163   6393.27   355.504   219.450 6.0593  217.674 6.0975  1.775970       8.596203 
1 1 1 -10 15  9  o 90.805  2.3074  1106.72   56.120    1103.43   79.596    1109.97   79.136    90.670  3.2775  90.940  3.2489  -0.2699890     4.614856 
1 1 1 -10 15  10 o 95.868  2.3858  1233.81   61.258    1257.34   86.898    1210.56   86.367    96.779  3.3523  94.958  3.3957  1.820259       4.771647 
1 1 1 -10 15  11 o 62.048  1.9814  516.505   32.919    534.460   46.771    498.879   46.341    63.118  2.7665  60.978  2.8373  2.139896       3.962836 
1 1 1 -10 15  12 o 34.226  1.8737  158.477   16.989    145.846   24.159    170.833   23.894    32.853  2.7713  35.598  2.5223  -2.745670      3.747309 
1 1 1 -10 15  13 o 56.319  1.8976  425.664   28.618    438.551   40.588    412.923   40.357    57.168  2.6506  55.470  2.7162  1.698284       3.795244 
1 1 1 -10 15  14 o 101.813 2.4058  1393.73   65.588    1433.62   92.815    1353.95   92.696    103.273 3.3554  100.352 3.4486  2.921143       4.811593 
1 1 1 -10 15  15 f 188.941 3.8089  4835.12   192.737   4921.17   272.589   4749.10   272.553   190.641 5.3383  187.241 5.4345  3.399689       7.617840 
1 1 1 -10 15  16 o 144.756 3.0732  2830.73   119.157   2823.30   168.393   2838.19   168.634   144.565 4.3488  144.947 4.3436  -0.3823242     6.146450 
1 1 1 -10 15  17 o 107.475 2.5685  1558.78   73.902    1616.02   104.528   1501.56   104.498   109.463 3.5651  105.487 3.6984  3.976059       5.136984 
1 1 1 -10 15  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 15  19 o 12.384  2.4317  20.046    9.0822    33.324    13.182    8.0488    12.531    15.418  3.2923  9.3498  3.5796  6.067911       4.863406 
1 1 1 -10 15  20 o 47.492  1.9589  305.624   24.770    325.206   35.051    286.089   35.009    49.034  2.6789  45.949  2.8588  3.085129       3.917790 
1 1 1 -10 15  21 o 38.241  1.9206  198.726   19.509    210.590   27.491    186.688   27.691    39.415  2.6188  37.066  2.8101  2.349503       3.841207 
1 1 1 -10 15  22 o 20.411  2.2884  57.857    12.089    55.668    16.937    60.131    17.260    20.000  3.2751  20.821  3.1971  -0.8208504     4.576875 
1 1 1 -10 15  23 o 70.819  2.1519  680.591   40.818    675.809   57.394    685.485   58.062    70.569  3.0364  71.068  3.0502  -0.4991837     4.303891 
1 1 1 -10 15  24 f 32.520  2.0363  144.525   17.545    138.759   24.472    150.623   25.168    31.844  2.9010  33.197  2.8583  -1.353579      4.072602 
1 1 1 -10 15  25 o 41.931  1.9949  240.078   22.269    242.306   31.244    237.778   31.748    42.140  2.7838  41.722  2.8582  0.4181061      3.989787 
1 1 1 -10 15  26 o 12.626  2.7324  21.954    10.299    27.709    14.546    16.168    14.585    13.933  3.7949  11.319  3.9323  2.614002       5.464806 
1 1 1 -10 15  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 15  28 o 31.460  2.1975  137.555   18.264    131.922   25.383    143.603   26.301    30.781  3.1219  32.138  3.0936  -1.356842      4.395048 
1 1 1 -10 15  29 o 9.8733  2.6622  8.3832    10.400    17.467    14.428    -1.4400   15.004    11.455  3.9143  8.2916  3.6095  3.163429       5.324495 
1 1 1 -10 15  30 o 45.637  2.1054  290.101   25.548    267.171   35.492    314.757   36.804    43.717  3.0501  47.558  2.9031  -3.840973      4.210884 
1 1 1 -10 15  31 o 12.712  2.8624  22.789    11.471    31.586    15.943    13.348    16.516    14.573  3.9746  10.850  4.1202  3.723284       5.724798 
1 1 1 -10 15  32 o 19.139  2.8893  55.166    14.377    62.731    20.113    47.263    20.558    20.650  3.7756  17.628  4.3746  3.021477       5.778650 
1 1 1 -10 15  33 o 26.391  2.5270  101.422   17.340    108.175   24.289    94.401    24.765    27.407  3.3803  25.376  3.7571  2.031702       5.053904 
1 1 1 -10 15  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 15  35 o 9.0234  2.5829  -3.2144   11.663    -26.5930  16.546    19.872    16.442    6.2584  3.0502  11.788  4.1693  -5.529929      5.165888 
1 1 1 -10 16  1  o 60.354  1.9113  488.491   30.895    486.250   43.402    490.792   43.989    60.214  2.6910  60.494  2.7148  -0.2798157     3.822535 
1 1 1 -10 16  2  o 95.356  2.3124  1220.39   59.034    1173.16   83.193    1268.29   83.784    93.494  3.3221  97.217  3.2176  -3.723106      4.624846 
1 1 1 -10 16  3  o 203.742 4.0592  5595.67   221.513   5559.65   313.188   5631.72   313.346   203.082 5.7576  204.402 5.7233  -1.319931      8.118318 
1 1 1 -10 16  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 16  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 16  6  o 65.828  2.0081  581.287   35.382    610.484   50.370    552.846   49.713    67.462  2.7876  64.194  2.8912  3.267494       4.016166 
1 1 1 -10 16  7  o 201.793 3.9968  5490.25   215.999   5603.29   305.866   5377.79   305.073   203.878 5.6011  199.709 5.7032  4.168594       7.993649 
1 1 1 -10 16  8  o 78.871  2.1484  834.936   45.354    875.365   64.377    795.097   63.905    80.770  2.9757  76.972  3.0997  3.798424       4.296826 
1 1 1 -10 16  9  o 54.244  1.9213  395.479   27.844    381.223   39.532    409.514   39.225    53.234  2.7822  55.253  2.6504  -2.019428      3.842574 
1 1 1 -10 16  10 o 124.369 2.7662  2079.32   92.146    2063.78   130.492   2094.77   130.136   123.903 3.9320  124.835 3.8920  -0.9313660     5.532465 
1 1 1 -10 16  11 o 99.353  2.3870  1326.10   63.520    1315.76   89.972    1336.38   89.691    98.965  3.3942  99.741  3.3573  -0.7759705     4.774080 
1 1 1 -10 16  12 o 162.001 3.3171  3539.49   143.889   3435.94   203.419   3643.19   203.559   159.613 4.7581  164.389 4.6231  -4.775604      6.634171 
1 1 1 -10 16  13 o 67.219  2.0599  606.998   37.084    616.464   52.528    597.593   52.362    67.742  2.8950  66.695  2.9311  1.047531       4.119746 
1 1 1 -10 16  14 o 149.857 3.1457  3033.57   126.222   2940.53   178.374   3126.89   178.636   147.536 4.5138  152.177 4.3826  -4.640961      6.291395 
1 1 1 -10 16  15 o 87.124  2.2731  1022.63   52.980    962.592   74.829    1082.97   75.022    84.546  3.3044  89.703  3.1224  -5.157356      4.546253 
1 1 1 -10 16  16 f 162.363 3.4017  3580.23   147.932   3614.95   209.159   3545.47   209.256   163.163 4.7859  161.564 4.8355  1.598907       6.803499 
1 1 1 -10 16  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 16  18 o 39.435  1.9095  210.765   19.990    191.712   28.089    230.317   28.454    37.602  2.8092  41.269  2.5873  -3.666775      3.819070 
1 1 1 -10 16  19 o 28.947  2.0102  114.928   15.185    134.850   21.559    95.315    21.391    31.521  2.5761  26.374  3.0865  5.147079       4.020336 
1 1 1 -10 16  20 o 43.890  1.9391  261.646   22.619    284.224   32.070    239.298   31.906    45.807  2.6247  41.973  2.8550  3.834190       3.878181 
1 1 1 -10 16  21 o 54.404  1.9981  401.488   29.027    420.299   40.952    382.493   41.151    55.742  2.7429  53.067  2.9062  2.674908       3.996126 
1 1 1 -10 16  22 o 84.123  2.3090  963.629   51.972    1008.80   73.243    917.825   73.757    86.147  3.1742  82.100  3.3541  4.046692       4.617961 
1 1 1 -10 16  23 o 20.009  2.4048  56.712    12.310    64.992    17.084    47.772    17.752    21.663  3.0270  18.356  3.7377  3.306534       4.809697 
1 1 1 -10 16  24 o 40.775  2.0047  227.144   21.755    222.160   30.549    232.271   30.987    40.316  2.8473  41.234  2.8226  -0.9185562     4.009310 
1 1 1 -10 16  25 f 30.238  2.1692  126.753   17.188    143.314   24.345    110.293   24.271    32.298  2.8431  28.178  3.2769  4.119251       4.338370 
1 1 1 -10 16  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 16  27 o 43.885  2.0788  266.645   24.168    236.107   34.039    297.689   34.320    41.259  3.1029  46.511  2.7674  -5.251850      4.157654 
1 1 1 -10 16  28 f 10.822  2.6639  12.183    10.502    -0.7368   14.662    25.794    15.049    8.2894  3.5883  13.354  3.9384  -5.064675      5.327887 
1 1 1 -10 16  29 o 7.7497  2.3642  -4.0491   9.6425    7.0053    13.365    -16.0515  13.926    9.1410  3.6387  6.3585  3.0196  2.782501       4.728430 
1 1 1 -10 16  30 o 35.705  2.1748  179.359   20.550    164.813   28.662    194.746   29.478    34.154  3.1693  37.256  2.9789  -3.102158      4.349520 
1 1 1 -10 16  31 o 24.744  2.5603  89.262    16.347    98.900    22.915    79.274    23.327    26.275  3.3308  23.213  3.8893  3.061693       5.120642 
1 1 1 -10 16  32 f 41.874  2.2077  248.791   24.548    260.562   34.543    236.780   34.893    42.953  3.0218  40.795  3.2194  2.157528       4.415411 
1 1 1 -10 16  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 16  34 o 10.258  2.7534  8.4055    11.732    -7.4703   16.545    24.463    16.639    7.7947  3.5594  12.722  4.2019  -4.927084      5.506886 
1 1 1 -10 17  1  o 136.915 4.1371  2526.27   151.653   2446.55   210.862   2611.68   218.269   134.680 5.8453  139.149 5.8563  -4.468948      8.274245 
1 1 1 -10 17  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 17  3  o 126.363 2.7893  2145.65   94.393    2097.57   133.301   2194.00   133.682   124.939 3.9833  127.787 3.9057  -2.847969      5.578631 
1 1 1 -10 17  4  o 50.372  1.9451  341.393   26.143    344.096   36.870    338.659   37.074    50.575  2.7319  50.169  2.7696  0.4055252      3.890277 
1 1 1 -10 17  5  f 95.499  2.3715  1224.38   60.660    1224.03   85.955    1224.72   85.618    95.486  3.3608  95.513  3.3467  -0.2777100E-01 4.742918 
1 1 1 -10 17  6  o 137.237 2.9719  2532.50   109.231   2491.98   154.709   2572.77   154.244   136.137 4.2428  138.337 4.1628  -2.199493      5.943885 
1 1 1 -10 17  7  f 89.971  2.3076  1087.30   55.574    1044.88   78.716    1129.46   78.471    88.215  3.3314  91.726  3.1940  -3.510643      4.615161 
1 1 1 -10 17  8  o 111.173 2.5939  1661.18   77.221    1624.16   109.513   1697.78   108.902   109.936 3.7191  112.410 3.6170  -2.474442      5.187869 
1 1 1 -10 17  9  o 76.733  2.1601  790.502   44.395    799.142   63.055    782.008   62.516    77.149  3.0514  76.317  3.0583  0.8320007      4.320207 
1 1 1 -10 17  10 o 53.592  1.9374  386.561   27.715    383.825   39.379    389.246   39.013    53.401  2.7626  53.782  2.7170  -0.3811188     3.874790 
1 1 1 -10 17  11 o 116.604 2.6933  1830.78   84.054    1919.74   119.252   1742.94   118.492   119.432 3.7278  113.775 3.8882  5.657005       5.386556 
1 1 1 -10 17  12 o 92.784  2.3138  1158.01   57.502    1157.48   81.490    1158.53   81.151    92.762  3.2798  92.805  3.2646  -0.4385376E-01 4.627606 
1 1 1 -10 17  13 o 45.851  1.9208  283.726   23.464    272.644   33.324    294.622   33.044    44.951  2.7814  46.750  2.6498  -1.798840      3.841536 
1 1 1 -10 17  14 o 67.155  2.0561  606.897   36.971    627.825   52.475    586.270   52.097    68.309  2.8681  66.001  2.9470  2.307877       4.112233 
1 1 1 -10 17  15 o 66.489  4.5216  602.886   80.046    0.0000    0.0000    602.886   80.046    ?       ?       66.489  4.5216  ?              ?        
1 1 1 -10 17  16 o 79.256  2.1747  847.697   46.165    855.672   65.311    839.733   65.263    79.631  3.0621  78.881  3.0889  0.7503967      4.349435 
1 1 1 -10 17  17 o 18.334  2.3790  47.778    11.111    33.567    15.724    61.950    15.703    15.424  3.8249  21.244  2.8300  -5.819776      4.758069 
1 1 1 -10 17  18 o 46.319  1.9332  290.736   23.868    300.210   33.804    281.317   33.705    47.082  2.6917  45.555  2.7755  1.526691       3.866334 
1 1 1 -10 17  19 o 17.378  2.4529  43.236    11.107    65.196    16.031    22.962    15.403    21.781  2.8137  12.975  4.0187  8.805723       4.905798 
1 1 1 -10 17  20 o 18.184  2.4104  46.310    11.299    50.647    16.313    42.312    15.665    19.038  3.3199  17.330  3.4955  1.707993       4.820846 
1 1 1 -10 17  21 o 57.656  2.0376  451.850   31.366    478.020   44.388    425.752   44.327    59.386  2.7906  55.926  2.9698  3.460190       4.075158 
1 1 1 -10 17  22 o 11.090  2.7152  15.241    9.8680    17.925    14.160    12.706    13.760    11.682  3.8772  10.497  3.8021  1.184755       5.430332 
1 1 1 -10 17  23 o 50.671  2.0259  350.708   27.380    357.012   38.651    344.359   38.791    51.141  2.8327  50.202  2.8971  0.9389954      4.051888 
1 1 1 -10 17  24 o 38.834  2.0645  207.141   21.316    207.302   30.065    206.979   30.227    38.852  2.9102  38.816  2.9289  0.3648376E-01  4.128923 
1 1 1 -10 17  25 o 28.922  3.2162  116.529   24.493    116.529   24.493    0.0000    0.0000    28.922  3.2162  ?       ?       ?              ?        
1 1 1 -10 17  26 o 18.583  2.7587  50.126    13.294    47.945    18.629    52.388    18.976    18.149  3.9449  19.017  3.8573  -0.8681374     5.517354 
1 1 1 -10 17  27 o 17.308  2.7375  43.896    12.376    41.845    17.420    45.986    17.587    16.876  3.9276  17.741  3.8144  -0.8651505     5.474995 
1 1 1 -10 17  28 o 20.246  2.6777  59.838    13.976    54.695    19.531    65.235    20.007    19.279  3.9159  21.212  3.6532  -1.933207      5.355416 
1 1 1 -10 17  29 o 10.783  2.7527  12.114    10.980    0.8243    15.191    24.466    15.889    8.5841  3.6836  12.982  4.0914  -4.398010      5.505348 
1 1 1 -10 17  30 o 32.860  2.2841  153.586   19.813    161.814   27.989    145.322   28.052    33.809  3.1261  31.911  3.3310  1.897776       4.568145 
1 1 1 -10 17  31 o 28.336  2.4295  115.950   18.038    110.685   25.586    121.153   25.434    27.628  3.5388  29.044  3.3296  -1.415363      4.858913 
1 1 1 -10 17  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 17  33 o 13.153  3.1376  26.012    13.263    20.218    18.466    32.186    19.062    12.012  4.3963  14.295  4.4777  -2.282317      6.275149 
1 1 1 -10 18  1  o 107.385 2.5259  1548.72   72.649    1551.22   102.339   1546.18   103.149   107.474 3.5551  107.296 3.5892  0.1775436      5.051799 
1 1 1 -10 18  2  o 156.327 3.3052  3288.83   138.378   3220.61   195.310   3357.59   196.083   154.693 4.7138  157.961 4.6345  -3.268509      6.610439 
1 1 1 -10 18  3  o 272.779 5.2907  10091.18  386.549   10005.61  546.437   10176.89  546.891   271.608 7.5112  273.950 7.4532  -2.341370      10.58146 
1 1 1 -10 18  4  o 68.444  2.0501  628.600   37.583    628.015   53.135    629.185   53.166    68.412  2.8998  68.476  2.8987  -0.6375122E-01 4.100153 
1 1 1 -10 18  5  o 278.788 5.3964  10558.84  402.798   10918.89  570.182   10200.14  569.106   283.597 7.5062  273.979 7.7551  9.617920       10.79282 
1 1 1 -10 18  6  o 49.939  1.9572  335.601   26.070    346.696   37.157    324.845   36.587    50.757  2.7433  49.122  2.7923  1.634865       3.914426 
1 1 1 -10 18  7  o 259.924 5.0074  9175.77   348.614   9177.98   493.335   9173.57   492.696   259.953 7.0853  259.895 7.0777  0.5865479E-01  10.01476 
1 1 1 -10 18  8  o 126.610 2.8372  2157.68   96.201    2206.98   136.432   2108.93   135.669   128.054 3.9777  125.166 4.0467  2.887779       5.674343 
1 1 1 -10 18  9  o 40.315  1.9235  219.241   20.641    218.992   29.613    219.476   28.785    40.289  2.7608  40.342  2.6792  -0.5352402E-01 3.847070 
1 1 1 -10 18  10 o 66.811  2.0984  599.918   37.550    603.462   53.370    596.444   52.842    67.005  2.9737  66.616  2.9615  0.3898087      4.196840 
1 1 1 -10 18  11 o 54.049  1.9825  393.834   28.594    372.571   40.728    414.503   40.155    52.560  2.9042  55.538  2.6994  -2.977425      3.964989 
1 1 1 -10 18  12 o 66.002  2.0671  586.077   36.528    610.381   52.005    562.412   51.317    67.357  2.8826  64.648  2.9636  2.709305       4.134265 
1 1 1 -10 18  13 o 132.888 2.9132  2390.95   103.685   2427.84   146.885   2354.30   146.383   133.919 4.0949  131.857 4.1447  2.061111       5.826420 
1 1 1 -10 18  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 18  15 o 42.234  1.9266  241.645   21.656    230.510   30.707    252.662   30.546    41.250  2.7958  43.219  2.6515  -1.969055      3.853183 
1 1 1 -10 18  16 o 54.644  2.0213  404.465   29.474    396.885   41.824    411.943   41.542    54.126  2.8954  55.162  2.8211  -1.035618      4.042525 
1 1 1 -10 18  17 o 61.128  2.0624  505.525   33.754    524.091   47.909    487.225   47.565    62.251  2.8733  60.004  2.9595  2.247177       4.124813 
1 1 1 -10 18  18 o 22.650  2.2076  71.117    12.866    84.466    18.429    58.425    17.969    24.829  2.8212  20.471  3.3962  4.357428       4.415188 
1 1 1 -10 18  19 o 20.411  2.3090  58.006    12.197    57.983    17.329    58.029    17.171    20.403  3.2822  20.419  3.2484  -0.1543617E-01 4.617921 
1 1 1 -10 18  20 o 14.845  2.6324  31.542    10.525    26.107    15.233    36.507    14.559    13.637  3.9455  16.053  3.4859  -2.416749      5.264837 
1 1 1 -10 18  21 o 33.567  2.0583  154.465   18.306    147.904   25.951    160.963   25.826    32.834  2.9834  34.301  2.8364  -1.467434      4.116526 
1 1 1 -10 18  22 f 43.695  2.0377  261.381   23.707    254.108   33.558    268.628   33.496    43.071  2.9262  44.320  2.8366  -1.248112      4.075401 
1 1 1 -10 18  23 o 14.487  3.9903  30.151    15.977    0.0000    0.0000    30.151    15.977    ?       ?       14.487  3.9903  ?              ?        
1 1 1 -10 18  24 o 43.773  2.0992  264.353   24.459    270.856   34.525    257.801   34.655    44.335  2.9238  43.211  3.0130  1.123676       4.198432 
1 1 1 -10 18  25 o 14.801  2.8937  31.819    12.049    24.425    16.903    39.456    17.179    13.177  4.2272  16.425  3.9528  -3.247732      5.787357 
1 1 1 -10 18  26 o 30.324  2.2504  129.373   17.954    140.156   25.537    118.833   25.248    31.644  3.0506  29.005  3.3091  2.639380       4.500712 
1 1 1 -10 18  27 o 27.092  2.3691  104.520   16.773    95.691    23.510    113.672   23.937    25.848  3.4846  28.336  3.2105  -2.487890      4.738123 
1 1 1 -10 18  28 o 11.221  2.8464  15.320    11.234    7.8232    15.773    23.039    16.005    9.7667  3.9305  12.675  4.1180  -2.908628      5.692749 
1 1 1 -10 18  29 o 44.082  2.1991  274.578   25.755    289.217   36.237    259.635   36.612    45.353  2.9999  42.811  3.2164  2.542740       4.398257 
1 1 1 -10 18  30 f 14.347  3.1429  31.002    13.432    36.088    19.055    25.980    18.936    15.353  4.4044  13.341  4.4846  2.012589       6.285735 
1 1 1 -10 18  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 18  32 o 16.108  3.1213  41.645    14.158    31.975    20.339    50.734    19.719    14.223  4.6433  17.993  4.1726  -3.769985      6.242670 
1 1 1 -10 19  1  o 80.719  2.1910  874.517   47.368    858.925   66.610    890.467   67.372    79.991  3.1089  81.448  3.0882  -1.456764      4.382095 
1 1 1 -10 19  2  o 23.549  2.1056  75.690    12.968    72.995    18.523    78.281    18.163    23.118  3.0671  23.980  2.8857  -0.8619480     4.211179 
1 1 1 -10 19  3  o 162.427 3.3919  3554.61   147.565   3580.69   208.500   3528.44   208.877   163.028 4.7748  161.825 4.8190  1.202896       6.783883 
1 1 1 -10 19  4  o 169.438 3.5068  3871.19   159.147   3901.98   225.080   3840.40   225.056   170.116 4.9397  168.759 4.9789  1.356766       7.013579 
1 1 1 -10 19  5  o 102.093 2.4814  1401.05   67.856    1405.45   96.067    1396.68   95.859    102.253 3.5076  101.933 3.5110  0.3200455      4.962870 
1 1 1 -10 19  6  o 121.924 2.7348  2000.74   89.309    2003.37   126.531   1998.14   126.074   122.003 3.8720  121.845 3.8631  0.1580734      5.469515 
1 1 1 -10 19  7  o 72.274  2.1262  701.902   41.159    704.748   58.432    699.100   57.987    72.419  3.0124  72.129  3.0015  0.2898941      4.252446 
1 1 1 -10 19  8  o 105.605 2.5302  1501.89   71.558    1476.19   101.422   1527.36   100.975   104.700 3.6166  106.511 3.5394  -1.811584      5.060328 
1 1 1 -10 19  9  o 39.916  1.9758  215.318   20.960    229.314   29.769    201.559   29.516    41.219  2.7115  38.613  2.8745  2.606083       3.951577 
1 1 1 -10 19  10 o 45.704  1.9742  282.074   23.978    310.673   34.284    254.690   33.548    47.995  2.6776  43.413  2.9018  4.582645       3.948399 
1 1 1 -10 19  11 o 104.442 2.5720  1473.13   71.946    1496.58   102.111   1450.01   101.388   105.271 3.6214  103.613 3.6533  1.658264       5.143996 
1 1 1 -10 19  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 19  13 o 86.185  2.2598  1003.62   52.163    1018.44   73.958    988.952   73.584    86.822  3.1803  85.549  3.2113  1.273438       4.519568 
1 1 1 -10 19  14 o 62.284  2.0755  525.497   34.490    489.164   48.924    561.396   48.631    60.080  3.0502  64.488  2.8154  -4.407825      4.150976 
1 1 1 -10 19  15 o 14.894  2.5537  31.403    10.284    21.981    14.494    40.953    14.593    12.689  3.8931  17.099  3.3059  -4.410253      5.107332 
1 1 1 -10 19  16 o 29.260  2.0394  117.188   15.733    108.813   22.348    125.417   22.152    28.187  3.0064  30.333  2.7566  -2.145966      4.078876 
1 1 1 -10 19  17 o 44.105  1.9678  264.318   23.101    281.121   32.971    248.115   32.376    45.502  2.7177  42.709  2.8465  2.793354       3.935523 
1 1 1 -10 19  18 o 44.194  1.9888  265.801   23.419    266.264   33.241    265.345   32.999    44.230  2.8205  44.157  2.8046  0.7291031E-01  3.977581 
1 1 1 -10 19  19 o 18.382  2.5413  47.710    12.058    52.500    17.352    43.237    16.769    19.318  3.4815  17.446  3.7030  1.871931       5.082689 
1 1 1 -10 19  20 o 32.301  2.0937  143.477   17.875    134.187   25.348    152.667   25.210    31.221  3.0708  33.381  2.8469  -2.159113      4.187443 
1 1 1 -10 19  21 o 37.214  2.0575  190.203   20.336    185.543   28.894    194.778   28.628    36.743  2.9610  37.684  2.8575  -0.9411011     4.114984 
1 1 1 -10 19  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 19  23 o 31.995  2.1783  143.196   18.138    116.117   25.497    170.942   25.809    28.772  3.3724  35.218  2.7581  -6.445442      4.356632 
1 1 1 -10 19  24 o 27.593  2.2967  107.317   16.574    117.008   23.392    97.548    23.486    28.932  3.0652  26.254  3.4211  2.678192       4.593443 
1 1 1 -10 19  25 o 12.154  2.9146  20.037    11.431    15.764    16.306    24.164    16.028    11.315  4.1328  12.992  4.1109  -1.677041      5.829169 
1 1 1 -10 19  26 o 11.515  2.7649  15.787    11.098    29.004    15.927    3.3129    15.473    14.008  4.0290  9.0218  3.7876  4.986278       5.529832 
1 1 1 -10 19  27 o 40.357  2.1910  229.633   23.483    239.347   33.199    219.906   33.221    41.263  3.0249  39.452  3.1706  1.811062       4.382081 
1 1 1 -10 19  28 o 36.575  2.2997  192.050   21.898    226.466   30.769    156.727   31.171    40.178  2.8782  32.971  3.5875  7.206337       4.599396 
1 1 1 -10 19  29 o 37.439  2.2715  200.214   22.463    179.927   31.527    221.132   32.013    35.387  3.3667  39.490  3.0502  -4.103027      4.542956 
1 1 1 -10 19  30 o 17.463  4.4602  47.848    20.937    47.848    20.937    0.0000    0.0000    17.463  4.4602  ?       ?       ?              ?        
1 1 1 -10 20  1  o 38.503  1.8740  199.863   19.207    196.229   27.030    203.571   27.299    38.147  2.6621  38.859  2.6384  -0.7127075     3.748080 
1 1 1 -10 20  2  o 97.165  2.3892  1268.84   62.179    1270.88   87.652    1266.78   88.219    97.245  3.3652  97.085  3.3925  0.1598206      4.778446 
1 1 1 -10 20  3  o 98.190  2.4418  1296.33   64.220    1295.61   90.716    1297.06   90.927    98.163  3.4502  98.217  3.4563  -0.5433655E-01 4.883669 
1 1 1 -10 20  4  o 95.794  2.4211  1234.83   62.056    1166.61   87.536    1303.76   87.988    93.123  3.5095  98.466  3.3362  -5.343117      4.842140 
1 1 1 -10 20  5  o 68.658  2.0767  633.605   38.182    617.441   53.965    649.808   54.030    67.779  2.9726  69.538  2.9009  -1.759743      4.153458 
1 1 1 -10 20  6  o 64.805  2.0634  564.678   35.810    555.881   50.785    573.378   50.503    64.300  2.9487  65.310  2.8870  -1.009377      4.126707 
1 1 1 -10 20  7  o 108.735 2.5977  1594.34   75.648    1571.70   107.140   1616.86   106.826   107.958 3.7052  109.511 3.6419  -1.552910      5.195362 
1 1 1 -10 20  8  o 86.362  2.3276  1005.64   53.801    962.250   76.197    1048.78   75.975    84.491  3.3670  88.233  3.2148  -3.742287      4.655247 
1 1 1 -10 20  9  o 93.538  2.4051  1180.68   60.255    1172.93   85.467    1188.34   84.962    93.229  3.4227  93.848  3.3799  -0.6194916     4.810254 
1 1 1 -10 20  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 20  11 o 18.421  2.8096  50.887    13.260    61.540    16.953    34.098    21.282    21.132  3.0861  15.709  4.6958  5.423162       5.619125 
1 1 1 -10 20  12 o 54.857  2.0356  407.498   29.801    402.574   42.334    412.335   41.958    54.521  2.9094  55.193  2.8479  -0.6715126     4.071288 
1 1 1 -10 20  13 o 15.849  2.5461  35.862    10.652    27.233    15.294    43.992    14.845    13.948  3.9271  17.751  3.2417  -3.803006      5.092197 
1 1 1 -10 20  14 o 34.397  1.9997  161.203   18.245    155.600   25.956    166.675   25.652    33.788  2.8961  35.005  2.7582  -1.217503      3.999388 
1 1 1 -10 20  15 o 50.061  1.9888  340.522   26.542    328.595   37.696    352.248   37.379    49.173  2.8746  50.949  2.7492  -1.775593      3.977587 
1 1 1 -10 20  16 o 37.329  1.9954  189.842   19.800    192.470   28.339    187.335   27.676    37.580  2.8364  37.079  2.8075  0.5008812      3.990853 
1 1 1 -10 20  17 o 35.506  2.0251  172.190   19.074    182.669   27.198    162.048   26.757    36.591  2.7962  34.420  2.9302  2.171341       4.050267 
1 1 1 -10 20  18 o 65.117  2.1371  578.021   37.236    549.142   52.719    606.771   52.602    63.464  3.1014  66.771  2.9412  -3.306602      4.274230 
1 1 1 -10 20  19 o 56.268  2.0744  432.971   31.150    426.342   44.144    439.545   43.964    55.826  2.9628  56.709  2.9041  -0.8833160     4.148713 
1 1 1 -10 20  20 o 32.802  2.1003  148.332   18.252    149.744   25.923    146.944   25.703    32.958  2.9684  32.645  2.9720  0.3127098      4.200511 
1 1 1 -10 20  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 20  22 o 21.076  2.6066  63.705    14.150    70.518    20.233    57.183    19.796    22.265  3.5088  19.887  3.8555  2.378237       5.213150 
1 1 1 -10 20  23 o 10.648  2.8158  12.901    10.810    12.910    15.601    12.892    14.994    10.700  4.0176  10.595  3.9464  0.1053772      5.631667 
1 1 1 -10 20  24 o 33.101  2.2313  154.455   19.387    176.561   27.698    133.225   27.144    35.551  2.9350  30.650  3.3615  4.900862       4.462561 
1 1 1 -10 20  25 o 22.218  2.6086  71.814    14.970    71.758    21.540    71.867    20.819    22.176  3.7608  22.260  3.6160  -0.8369637E-01 5.217205 
1 1 1 -10 20  26 o 27.482  2.4416  108.597   17.519    117.516   24.864    99.804    24.689    28.698  3.2944  26.265  3.6044  2.433283       4.883143 
1 1 1 -10 20  27 o 23.432  2.7215  80.872    16.487    80.353    23.380    81.384    23.253    23.342  3.8754  23.522  3.8219  -0.1802692     5.442952 
1 1 1 -10 20  28 o 6.4931  2.1784  -16.5525  10.328    -23.4947  15.157    -10.5359  14.111    6.1135  2.9658  6.8726  3.1915  -0.7590599     4.356785 
1 1 1 -10 20  29 o 13.298  3.0131  24.945    13.353    41.514    18.964    8.6511    18.806    16.302  4.2863  10.294  4.2359  6.007484       6.026183 
1 1 1 -10 21  1  o 126.642 2.7890  2160.59   94.592    2111.56   133.118   2210.60   134.437   125.186 3.9700  128.098 3.9182  -2.912117      5.577952 
1 1 1 -10 21  2  o 45.992  1.9330  285.524   23.632    259.185   33.257    312.389   33.587    43.826  2.8485  48.158  2.6137  -4.331436      3.865905 
1 1 1 -10 21  3  o 194.332 3.9459  5128.97   205.388   5098.15   290.141   5159.93   290.785   193.741 5.5911  194.922 5.5696  -1.180984      7.891791 
1 1 1 -10 21  4  o 27.597  2.1564  103.882   15.637    110.059   21.970    97.539    22.262    28.459  2.9238  26.736  3.1705  1.722832       4.312801 
1 1 1 -10 21  5  o 68.218  2.1040  626.503   38.426    605.168   54.405    647.741   54.281    67.053  3.0292  69.383  2.9208  -2.330704      4.208019 
1 1 1 -10 21  6  o 70.791  2.1188  674.843   40.175    674.989   56.923    674.698   56.710    70.798  3.0018  70.784  2.9911  0.1387787E-01  4.237655 
1 1 1 -10 21  7  o 129.217 2.9143  2263.67   100.790   2163.27   142.583   2363.94   142.493   126.318 4.2142  132.117 4.0267  -5.798714      5.828682 
1 1 1 -10 21  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 21  9  o 86.941  3.3118  1022.28   77.121    1022.28   77.121    0.0000    0.0000    86.941  3.3118  ?       ?       ?              ?        
1 1 1 -10 21  10 o 90.062  2.3733  1099.50   57.198    1047.89   81.042    1150.73   80.739    87.929  3.4411  92.196  3.2695  -4.266838      4.746629 
1 1 1 -10 21  11 o 25.313  2.1582  87.927    14.334    90.401    20.370    85.500    20.173    25.677  3.0194  24.949  3.0845  0.7280712      4.316395 
1 1 1 -10 21  12 o 43.500  2.0172  257.008   23.367    265.369   33.339    248.934   32.760    44.203  2.8307  42.797  2.8745  1.405727       4.034312 
1 1 1 -10 21  13 o 52.470  2.0160  374.181   28.201    360.081   40.127    387.941   39.642    51.471  2.9227  53.468  2.7776  -1.997349      4.032002 
1 1 1 -10 21  14 o 29.398  2.1041  118.941   16.166    137.809   22.991    100.491   22.734    31.790  2.7265  27.006  3.2055  4.783514       4.208244 
1 1 1 -10 21  15 o 27.574  2.1472  104.588   15.589    102.645   22.209    106.475   21.887    27.306  3.0910  27.843  2.9812  -0.5369873     4.294369 
1 1 1 -10 21  16 o 8.4858  2.3459  4.1618    8.2525    -3.9777   11.819    11.906    11.528    7.0573  3.1325  9.9143  3.4928  -2.856976      4.691705 
1 1 1 -10 21  17 o 65.921  2.1514  593.005   37.986    596.448   53.911    589.611   53.533    66.110  3.0445  65.732  3.0406  0.3784027      4.302811 
1 1 1 -10 21  18 o 57.800  2.1112  457.599   32.596    439.009   46.188    476.046   46.008    56.561  3.0602  59.039  2.9094  -2.478092      4.222458 
1 1 1 -10 21  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 21  20 o 36.674  2.1853  186.991   21.188    170.418   30.014    203.452   29.914    34.978  3.2404  38.370  2.9328  -3.391972      4.370567 
1 1 1 -10 21  21 o 27.053  2.3092  102.921   16.388    106.506   23.459    99.505    22.903    27.527  3.2440  26.579  3.2871  0.9476814      4.618329 
1 1 1 -10 21  22 o 50.489  2.1333  355.138   28.693    338.659   40.500    371.744   40.656    49.265  3.0848  51.712  2.9475  -2.447617      4.266568 
1 1 1 -10 21  23 o 36.465  2.2387  187.452   21.558    206.973   30.705    168.475   30.274    38.438  3.0063  34.491  3.3179  3.946171       4.477306 
1 1 1 -10 21  24 o 14.487  2.7744  29.056    12.627    52.657    18.257    7.4134    17.483    18.924  3.7346  10.051  4.1039  8.872931       5.548820 
1 1 1 -10 21  25 o 53.272  2.2122  400.198   31.424    403.731   44.290    396.616   44.591    53.532  3.1022  53.012  3.1546  0.5196877      4.424403 
1 1 1 -10 21  26 o 20.700  2.8662  64.217    15.321    67.104    21.745    61.372    21.589    21.213  3.9730  20.186  4.1322  1.027876       5.732357 
1 1 1 -10 21  27 o 9.6397  3.9237  7.4894    15.918    0.0000    0.0000    7.4894    15.918    ?       ?       9.6397  3.9237  ?              ?        
1 1 1 -10 21  28 o 37.371  2.3596  203.340   23.369    201.765   33.127    204.901   32.971    37.206  3.3604  37.537  3.3133  -0.3314972     4.719168 
1 1 1 -10 22  1  o 83.918  2.2177  948.013   49.845    949.882   70.111    946.103   70.876    84.004  3.1160  83.831  3.1565  0.1728363      4.435420 
1 1 1 -10 22  2  o 108.557 2.5627  1590.01   74.513    1587.66   104.978   1592.39   105.781   108.479 3.6130  108.636 3.6354  -0.1567993     5.125368 
1 1 1 -10 22  3  o 44.233  1.9413  264.255   22.886    265.277   32.334    263.229   32.398    44.320  2.7372  44.146  2.7537  0.1740990      3.882663 
1 1 1 -10 22  4  o 94.182  2.3932  1197.26   60.370    1180.59   85.250    1214.03   85.502    93.520  3.4033  94.844  3.3657  -1.323471      4.786481 
1 1 1 -10 22  5  o 78.892  2.2125  839.763   46.753    838.050   66.148    841.473   66.089    78.811  3.1336  78.974  3.1244  -0.1624985     4.425036 
1 1 1 -10 22  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 22  7  o 87.510  2.3323  1036.65   54.637    1075.58   77.217    997.617   77.319    89.174  3.2329  85.846  3.3626  3.327370       4.664599 
1 1 1 -10 22  8  o 90.105  2.3597  1100.64   56.896    1160.52   80.715    1041.50   80.213    92.568  3.2554  87.643  3.4170  4.924713       4.719452 
1 1 1 -10 22  9  o 14.937  2.5913  31.505    10.439    39.785    14.892    23.506    14.638    16.825  3.4212  13.049  3.8930  3.776239       5.182680 
1 1 1 -10 22  10 o 39.016  2.0040  207.024   20.799    207.624   29.485    206.429   29.345    39.072  2.8368  38.960  2.8315  0.1121025      4.008054 
1 1 1 -10 22  11 o 35.651  2.0327  173.156   19.240    178.619   27.572    167.972   26.861    36.204  2.8667  35.098  2.8827  1.105785       4.065482 
1 1 1 -10 22  12 o 52.904  2.0537  380.633   28.988    386.833   41.255    374.586   40.741    53.333  2.8989  52.476  2.9100  0.8565292      4.107475 
1 1 1 -10 22  13 o 35.566  2.0605  172.853   19.407    188.532   27.756    157.857   27.145    37.179  2.8079  33.953  3.0163  3.226616       4.120934 
1 1 1 -10 22  14 f 41.904  2.0257  239.668   22.598    243.054   32.161    236.366   31.760    42.198  2.8623  41.610  2.8672  0.5884476      4.051391 
1 1 1 -10 22  15 f 15.846  2.7645  35.988    11.673    38.349    16.554    33.654    16.461    16.365  3.8422  15.327  3.9758  1.038146       5.529014 
1 1 1 -10 22  16 o 16.962  2.7215  41.614    12.098    36.268    17.592    46.409    16.663    15.862  4.1080  18.062  3.5708  -2.200295      5.443024 
1 1 1 -10 22  17 o 23.635  2.4833  79.434    15.017    65.087    21.346    93.490    21.129    21.340  3.8773  25.931  3.1038  -4.590508      4.966620 
1 1 1 -10 22  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 22  19 f 27.362  2.3249  105.144   16.625    116.812   23.877    94.165    23.161    28.910  3.1337  25.813  3.4352  3.097042       4.649824 
1 1 1 -10 22  20 o 16.039  2.9504  38.077    12.813    35.475    18.157    40.658    18.085    15.488  4.2488  16.589  4.0948  -1.101125      5.900846 
1 1 1 -10 22  21 o 32.907  2.2453  152.613   19.463    168.514   27.764    137.248   27.292    34.684  3.0188  31.131  3.3245  3.552803       4.490552 
1 1 1 -10 22  22 o 47.115  2.1851  311.624   27.308    348.199   39.200    277.139   38.063    49.909  2.9454  44.320  3.2285  5.588570       4.370207 
1 1 1 -10 22  23 o 14.469  2.8861  31.197    12.695    14.276    18.536    46.145    17.422    11.293  4.3463  17.646  3.7984  -6.353446      5.772223 
1 1 1 -10 22  24 o 39.177  2.3012  217.759   23.743    252.946   34.409    185.778   32.804    42.344  3.0544  36.011  3.4429  6.332920       4.602488 
1 1 1 -10 22  25 f 31.302  2.4924  142.219   20.342    162.648   29.019    122.482   28.524    33.708  3.2546  28.896  3.7756  4.812222       4.984800 
1 1 1 -10 22  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 22  27 o 27.383  2.6211  113.257   18.100    144.180   25.903    83.753    25.302    31.538  3.1067  23.228  4.2223  8.310001       5.242138 
1 1 1 -10 23  1  o 126.327 2.8025  2161.74   94.819    2174.99   133.524   2148.25   134.673   126.728 3.9337  125.925 3.9928  0.8027649      5.605021 
1 1 1 -10 23  2  o 50.642  1.9366  346.436   26.161    333.476   36.744    359.761   37.257    49.674  2.7727  51.611  2.7045  -1.937508      3.873298 
1 1 1 -10 23  3  o 107.706 5.3829  1592.58   155.291   0.0000    0.0000    1592.58   155.291   ?       ?       107.706 5.3829  ?              ?        
1 1 1 -10 23  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 23  5  o 108.862 2.5962  1609.58   75.685    1568.07   106.809   1651.44   107.262   107.436 3.7117  110.289 3.6310  -2.852753      5.192369 
1 1 1 -10 23  6  o 10.267  2.6037  12.111    9.1170    13.862    13.036    10.436    12.755    10.664  3.7169  9.8697  3.6471  0.7944613      5.207382 
1 1 1 -10 23  7  o 18.742  2.4584  49.623    11.832    57.234    16.562    41.689    16.908    20.318  3.1449  17.167  3.7796  3.151672       4.916882 
1 1 1 -10 23  8  o 15.676  2.5930  35.056    10.998    48.428    15.597    21.831    15.511    18.626  3.2443  12.725  4.0459  5.900129       5.186043 
1 1 1 -10 23  9  o 37.915  2.0285  195.831   20.440    203.263   29.145    188.639   28.673    38.634  2.8363  37.197  2.9008  1.437496       4.057044 
1 1 1 -10 23  10 o 31.435  2.0742  135.220   17.261    134.458   24.541    135.966   24.281    31.341  2.9585  31.529  2.9079  -0.1880493     4.148324 
1 1 1 -10 23  11 o 29.651  2.1420  120.626   16.707    134.175   24.052    107.993   23.225    31.305  2.9014  27.998  3.1519  3.307178       4.283965 
1 1 1 -10 23  12 o 23.260  2.5199  77.543    14.672    54.093    20.817    100.690   20.683    19.454  4.1233  27.066  2.8979  -7.612724      5.039772 
1 1 1 -10 23  13 o 31.609  2.1097  137.118   17.623    147.584   25.448    127.474   24.428    32.791  2.9282  30.428  3.0380  2.363188       4.219431 
1 1 1 -10 23  14 o 32.475  2.1806  146.121   18.603    128.562   26.420    163.387   26.198    30.450  3.2917  34.500  2.8609  -4.050201      4.361218 
1 1 1 -10 23  15 f 7.1946  2.2652  -4.5925   8.8453    -7.0921   12.464    -2.0564   12.555    6.8487  3.1127  7.5404  3.2917  -0.6917453     4.530336 
1 1 1 -10 23  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 23  17 o 17.553  2.9163  45.231    13.502    40.872    19.256    49.448    18.938    16.670  4.2882  18.436  3.9537  -1.766573      5.832695 
1 1 1 -10 23  18 o 42.951  2.1718  256.874   24.810    252.080   35.333    261.537   34.845    42.526  3.1239  43.376  3.0179  -0.8500290     4.343555 
1 1 1 -10 23  19 o 11.812  2.8194  17.641    11.207    7.4495    15.694    28.247    16.009    9.7401  3.9204  13.883  4.0529  -4.142896      5.638753 
1 1 1 -10 23  20 f 49.416  2.1956  343.008   28.850    318.700   40.810    367.293   40.791    47.573  3.2217  51.260  2.9839  -3.687107      4.391232 
1 1 1 -10 23  21 o 8.0925  2.4523  -1.3677   9.9932    -11.3117  14.787    6.9908    13.557    7.0402  3.2686  9.1448  3.6568  -2.104590      4.904679 
1 1 1 -10 23  22 o 34.916  2.3205  173.560   21.443    170.960   30.434    176.122   30.216    34.630  3.3219  35.203  3.2409  -0.5730743     4.640954 
1 1 1 -10 23  23 o 6.9709  2.2941  -11.7071  10.430    -14.5211  15.041    -9.1008   14.475    6.7944  3.1999  7.1475  3.2881  -0.3530478     4.588135 
1 1 1 -10 23  24 o 16.387  3.1934  41.469    14.495    47.879    21.328    35.969    19.759    17.528  4.5152  15.246  4.5171  2.281657       6.386854 
1 1 1 -10 23  25 o 13.034  2.9406  22.042    13.674    44.304    19.198    -0.8789   19.480    16.845  4.2540  9.2228  4.0611  7.621882       5.881256 
1 1 1 -10 24  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 24  2  o 55.404  1.9879  415.041   29.383    381.326   41.038    450.504   42.089    53.041  2.8996  57.767  2.7202  -4.725605      3.975770 
1 1 1 -10 24  3  o 16.550  2.5214  38.614    10.848    39.793    15.408    37.455    15.276    16.809  3.5344  16.290  3.5970  0.5184479      5.042843 
1 1 1 -10 24  4  o 77.284  2.2211  809.905   45.974    818.145   64.854    801.581   65.181    77.686  3.1168  76.881  3.1653  0.8049850      4.442202 
1 1 1 -10 24  5  o 42.960  1.9954  251.190   22.729    222.791   31.875    280.568   32.420    40.443  2.9631  45.476  2.6733  -5.032436      3.990836 
1 1 1 -10 24  6  o 73.008  2.1892  723.671   42.808    714.594   60.498    732.774   60.581    72.544  3.1135  73.472  3.0784  -0.9282913     4.378432 
1 1 1 -10 24  7  o 24.956  2.2485  86.813    14.367    68.014    20.199    106.060   20.439    22.067  3.5369  27.845  2.7774  -5.778423      4.497089 
1 1 1 -10 24  8  o 66.105  2.1343  593.987   37.774    613.091   53.424    574.887   53.419    67.184  2.9688  65.026  3.0670  2.157593       4.268534 
1 1 1 -10 24  9  o 11.323  2.7381  16.264    9.9908    17.573    14.330    15.025    13.936    11.627  3.9013  11.019  3.8430  0.6086798      5.476176 
1 1 1 -10 24  10 o 7.7438  2.3169  -1.8712   8.7055    6.8876    12.632    -9.7946   12.014    9.0850  3.5624  6.4027  2.9633  2.682241       4.633723 
1 1 1 -10 24  11 o 32.190  2.1530  142.636   18.323    150.189   26.030    135.218   25.797    33.062  2.9710  31.317  3.1167  1.744865       4.305933 
1 1 1 -10 24  12 o 48.140  2.1241  317.937   27.248    315.704   38.742    320.122   38.329    47.961  3.0314  48.318  2.9762  -0.3565445     4.248171 
1 1 1 -10 24  13 o 26.898  2.3023  100.818   16.244    101.334   23.290    100.329   22.666    26.953  3.2946  26.842  3.2167  0.1110096      4.604575 
1 1 1 -10 24  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 24  15 o 48.089  2.1451  320.040   27.486    315.150   38.917    324.906   38.824    47.707  3.0617  48.472  3.0052  -0.7642441     4.290126 
1 1 1 -10 24  16 o 9.3123  2.4973  1.3966    10.042    20.790    14.940    -14.5875  13.563    12.232  3.9789  6.3927  3.0192  5.839224       4.994696 
1 1 1 -10 24  17 o 14.437  2.9268  30.757    12.310    20.755    17.886    39.758    16.969    12.454  4.3530  16.420  3.9136  -3.966384      5.853662 
1 1 1 -10 24  18 o 11.545  2.9320  17.151    11.535    16.862    16.779    17.409    15.883    11.548  4.1961  11.541  4.0961  0.6971359E-02  5.863932 
1 1 1 -10 24  19 o 16.400  3.0309  40.640    13.574    33.934    19.196    47.347    19.196    15.024  4.4526  17.775  4.1134  -2.751374      6.061816 
1 1 1 -10 24  20 o 17.800  2.9402  49.037    14.174    31.043    20.584    65.262    19.545    14.441  4.6681  21.160  3.5760  -6.719371      5.880412 
1 1 1 -10 24  21 o 38.629  2.3205  212.497   23.729    229.699   33.910    195.989   33.218    40.245  3.1714  37.013  3.3882  3.231823       4.640909 
1 1 1 -10 24  22 o 38.033  2.3829  207.854   24.014    203.163   34.086    212.477   33.837    37.562  3.4257  38.504  3.3132  -0.9422226     4.765742 
1 1 1 -10 24  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 24  24 o 14.277  3.2608  32.114    14.199    33.436    20.503    30.897    19.683    14.517  4.6555  14.036  4.5671  0.4806490      6.521636 
1 1 1 -10 25  1  o 29.964  2.0555  122.926   16.252    130.060   22.798    115.555   23.174    30.882  2.7862  29.046  3.0230  1.835606       4.111096 
1 1 1 -10 25  2  o 68.272  2.1019  632.177   38.425    643.276   54.018    620.811   54.669    68.891  2.9274  67.653  3.0169  1.238647       4.203772 
1 1 1 -10 25  3  o 22.863  2.2197  72.302    13.229    74.332    18.703    70.270    18.714    23.201  3.0862  22.524  3.1912  0.6769714      4.439445 
1 1 1 -10 25  4  o 53.716  2.0288  392.524   29.044    425.501   41.144    359.772   41.004    56.041  2.7410  51.392  2.9917  4.649620       4.057556 
1 1 1 -10 25  5  o 10.251  2.2558  8.6736    8.8876    27.854    12.429    -11.3947  12.714    14.019  3.3548  6.4820  3.0165  7.537279       4.511574 
1 1 1 -10 25  6  o 29.783  2.0891  121.744   16.436    125.883   23.229    117.594   23.260    30.308  2.8967  29.257  3.0112  1.050926       4.178259 
1 1 1 -10 25  7  o 68.139  2.1753  632.605   39.700    626.656   56.008    638.612   56.282    67.814  3.0835  68.463  3.0692  -0.6493149     4.350582 
1 1 1 -10 25  8  o 11.945  2.6694  17.735    10.501    4.8213    14.906    30.460    14.796    9.2855  3.7902  14.605  3.7600  -5.319348      5.338850 
1 1 1 -10 25  9  o 21.068  2.5021  62.594    13.611    63.425    18.994    61.718    19.514    21.237  3.4582  20.899  3.6169  0.3379574      5.004102 
1 1 1 -10 25  10 o 22.687  2.4546  72.491    14.406    67.038    20.411    77.903    20.335    21.771  3.6280  23.603  3.3073  -1.832052      4.909276 
1 1 1 -10 25  11 o 15.762  2.8341  36.081    12.063    30.740    17.259    41.182    16.868    14.623  4.1908  16.901  3.8165  -2.278052      5.668182 
1 1 1 -10 25  12 o 32.163  5.4434  153.538   45.221    0.0000    0.0000    153.538   45.221    ?       ?       32.163  5.4434  ?              ?        
1 1 1 -10 25  13 o 35.584  2.5808  176.208   23.761    167.447   30.408    189.945   38.077    34.603  3.3217  36.564  3.9508  -1.961441      5.161633 
1 1 1 -10 25  14 o 41.134  2.1820  235.586   23.861    241.116   33.890    230.150   33.601    41.628  3.0610  40.641  3.1104  0.9870148      4.363952 
1 1 1 -10 25  15 o 6.7216  2.1897  -8.9674   9.1115    -8.1604   12.469    -9.8921   13.347    6.6734  3.0632  6.7698  3.1297  -0.9642410E-01 4.379313 
1 1 1 -10 25  16 o 42.152  2.2049  249.499   24.710    242.530   34.891    256.513   35.001    41.532  3.1602  42.772  3.0757  -1.239147      4.409810 
1 1 1 -10 25  17 o 46.648  2.2460  306.748   27.866    324.281   39.689    289.702   39.134    48.021  3.1023  45.275  3.2487  2.746166       4.492007 
1 1 1 -10 25  18 o 19.137  2.9783  55.179    14.896    64.314    21.343    46.504    20.799    20.817  3.9728  17.458  4.4383  3.359306       5.956662 
1 1 1 -10 25  19 o 22.706  2.8862  77.579    16.748    61.341    23.752    93.633    23.617    20.009  4.5365  25.403  3.5695  -5.394114      5.772480 
1 1 1 -10 25  20 o 9.3351  2.7562  4.4949    11.546    7.6873    16.403    1.3597    16.256    9.8072  3.9864  8.8631  3.8071  0.9440498      5.512343 
1 1 1 -10 25  21 o 9.8049  2.8236  6.0358    11.939    15.051    17.680    -1.5221   16.188    11.169  4.2577  8.4406  3.7097  2.728743       5.647156 
1 1 1 -10 25  22 o 20.542  4.4790  66.388    23.949    66.388    23.949    0.0000    0.0000    20.542  4.4790  ?       ?       ?              ?        
1 1 1 -10 26  1  o 76.240  2.1900  790.427   44.703    759.383   62.676    822.573   63.779    74.703  3.1324  77.776  3.0615  -3.073486      4.380033 
1 1 1 -10 26  2  o 32.549  2.0494  145.009   17.679    143.667   25.057    146.339   24.948    32.393  2.9193  32.706  2.8772  -0.3123894     4.098818 
1 1 1 -10 26  3  o 63.565  2.1018  549.573   35.781    538.091   50.352    561.287   50.854    62.889  2.9892  64.241  2.9555  -1.352482      4.203597 
1 1 1 -10 26  4  f 7.7892  2.3314  0.7508    8.4088    2.0175    11.560    -0.6727   12.254    7.9008  3.2922  7.6777  3.3019  0.2231736      4.662730 
1 1 1 -10 26  5  o 7.7799  2.2998  -1.3500   8.5968    -10.7406  12.117    8.1665    12.198    6.3325  2.9463  9.2272  3.5320  -2.894653      4.599526 
1 1 1 -10 26  6  o 41.842  2.0762  240.079   23.077    223.398   32.543    256.953   32.730    40.340  3.0341  43.344  2.8348  -3.003826      4.152340 
1 1 1 -10 26  7  o 30.870  2.1488  131.540   17.535    133.334   24.722    129.724   24.875    31.094  3.0059  30.647  3.0716  0.4470024      4.297694 
1 1 1 -10 26  8  o 35.420  2.1332  173.204   20.016    181.941   28.194    164.327   28.420    36.359  2.9197  34.480  3.1108  1.879341       4.266328 
1 1 1 -10 26  9  f 17.632  2.6959  45.154    12.492    59.790    17.859    31.133    17.480    20.570  3.3572  14.695  4.2192  5.874747       5.391898 
1 1 1 -10 26  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 26  11 o 8.6827  2.4431  -4.8539   10.991    17.101    14.248    -37.1253  17.274    11.379  3.8897  5.9868  2.9571  5.391793       4.886107 
1 1 1 -10 26  12 o 17.074  2.8118  42.646    13.076    25.155    18.046    61.976    18.972    13.364  4.3743  20.784  3.5344  -7.420420      5.623693 
1 1 1 -10 26  13 o 13.306  3.0005  25.174    12.234    30.939    17.285    19.386    17.319    14.486  4.2062  12.126  4.2801  2.359838       6.000974 
1 1 1 -10 26  14 o 17.396  2.9349  45.229    13.482    44.741    18.871    45.738    19.268    17.306  4.1288  17.485  4.1723  -0.1793461     5.869827 
1 1 1 -10 26  15 o 10.109  2.8119  9.0101    11.419    2.6690    16.135    15.372    16.162    9.0680  3.8406  11.151  4.1081  -2.082576      5.623732 
1 1 1 -10 26  16 o 15.856  3.1319  38.259    13.846    41.466    19.563    35.040    19.601    16.508  4.3596  15.203  4.4978  1.305319       6.263875 
1 1 1 -10 26  17 o 10.194  2.8677  8.6885    12.078    1.0531    17.390    15.804    16.788    9.1147  3.9267  11.274  4.1805  -2.159202      5.735462 
1 1 1 -10 26  18 o 13.136  2.9716  23.131    13.195    5.6366    18.677    40.565    18.644    9.9702  4.1721  16.302  4.2325  -6.331709      5.943101 
1 1 1 -10 26  19 o 11.574  3.0461  17.070    12.741    12.834    18.677    20.757    17.425    10.967  4.3217  12.182  4.2939  -1.215366      6.092166 
1 1 1 -10 26  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 26  21 o 20.408  3.1705  66.999    16.948    53.830    24.109    79.864    23.830    18.067  4.8711  22.749  4.0597  -4.682594      6.341018 
1 1 1 -10 27  1  o 29.167  2.1241  117.466   16.288    127.323   22.895    107.365   23.177    30.464  2.8386  27.870  3.1607  2.594187       4.248218 
1 1 1 -10 27  2  o 42.350  2.0446  245.520   23.047    248.607   32.376    242.348   32.817    42.633  2.8516  42.067  2.9308  0.5669670      4.089203 
1 1 1 -10 27  3  o 18.771  2.6290  50.275    12.745    53.397    17.904    47.068    18.146    19.412  3.5753  18.130  3.8553  1.281546       5.257966 
1 1 1 -10 27  4  o 30.719  2.1425  130.272   17.386    124.324   24.436    136.370   24.743    29.985  3.0866  31.453  2.9722  -1.467415      4.285017 
1 1 1 -10 27  5  o 25.255  2.3254  89.098    15.357    88.546    21.628    89.658    21.808    25.176  3.2857  25.334  3.2916  -0.1581383     4.650862 
1 1 1 -10 27  6  o 43.083  2.1079  255.764   24.174    257.925   34.220    253.613   34.154    43.270  2.9706  42.897  2.9913  0.3730659      4.215732 
1 1 1 -10 27  7  o 43.553  2.1185  262.003   24.530    245.793   34.479    278.618   34.906    42.148  3.0754  44.959  2.9144  -2.810936      4.236948 
1 1 1 -10 27  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 27  9  o 41.783  2.1766  242.899   24.168    254.207   34.272    231.713   34.087    42.789  3.0095  40.777  3.1452  2.012600       4.353115 
1 1 1 -10 27  10 o 20.388  2.7849  60.666    14.649    66.675    20.991    54.961    20.454    21.451  3.7920  19.324  4.0797  2.126965       5.569873 
1 1 1 -10 27  11 o 22.410  2.7236  73.964    15.488    94.471    22.103    54.184    21.708    25.798  3.2724  19.022  4.3546  6.775061       5.447108 
1 1 1 -10 27  12 o 9.7207  2.7012  5.5483    10.887    18.009    16.298    -4.4938   14.631    11.692  4.1493  7.7491  3.4595  3.943226       5.402308 
1 1 1 -10 27  13 o 11.438  2.9513  16.355    11.869    20.567    16.788    12.146    16.783    12.214  4.2203  10.663  4.1268  1.551917       5.902636 
1 1 1 -10 27  14 o 30.975  2.4435  137.846   19.917    142.498   28.212    133.223   28.122    31.538  3.3930  30.413  3.5172  1.125862       4.887031 
1 1 1 -10 27  15 o 26.193  2.7241  101.263   18.299    84.109    25.776    118.692   25.982    23.687  4.2172  28.698  3.4493  -5.010294      5.448156 
1 1 1 -10 27  16 o 21.371  2.9861  69.058    16.486    69.455    23.249    68.657    23.381    21.448  4.1973  21.294  4.2484  0.1543121      5.972149 
1 1 1 -10 27  17 o 11.732  3.1032  15.707    13.689    27.097    19.806    5.2884    18.943    13.530  4.5862  9.9337  4.1817  3.596237       6.206478 
1 1 1 -10 27  18 o 5.2021  2.6050  -40.8797  15.408    0.0000    0.0000    -40.8797  15.408    ?       ?       5.2021  2.6050  ?              ?        
1 1 1 -10 27  19 o 14.488  3.1620  31.714    14.671    49.933    21.018    14.403    20.487    17.690  4.4421  11.287  4.5013  6.402876       6.324080 
1 1 1 -10 28  1  o 32.378  2.1259  144.863   18.202    147.979   25.315    141.528   26.191    32.771  2.9144  31.986  3.0958  0.7851791      4.251811 
1 1 1 -10 28  2  o 27.983  2.2533  108.922   16.559    101.377   23.142    116.836   23.703    26.950  3.2731  29.015  3.0978  -2.065260      4.506618 
1 1 1 -10 28  3  o 26.144  2.3214  95.456    15.869    88.547    21.918    103.067   23.006    25.119  3.3406  27.170  3.2243  -2.050564      4.642772 
1 1 1 -10 28  4  o 41.742  2.1165  240.956   23.491    245.336   32.856    236.375   33.599    42.160  2.9277  41.324  3.0572  0.8360901      4.232933 
1 1 1 -10 28  5  o 17.023  4.2086  42.580    19.081    0.0000    0.0000    42.580    19.081    ?       ?       17.023  4.2086  ?              ?        
1 1 1 -10 28  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 28  7  f 14.225  3.0569  28.959    12.837    22.242    17.611    36.576    18.752    12.741  4.3247  15.709  4.3214  -2.967631      6.113731 
1 1 1 -10 28  8  f 13.103  2.4099  17.168    11.849    52.458    17.001    -16.1684  16.524    19.068  3.4561  7.1385  3.3596  11.92917       4.819881 
1 1 1 -10 28  9  o 18.359  2.8939  50.315    13.872    53.673    19.321    46.741    19.931    19.073  3.9132  17.646  4.2643  1.426956       5.787713 
1 1 1 -10 28  10 o 23.520  2.5816  80.245    15.717    75.048    21.874    85.793    22.599    22.680  3.7305  24.359  3.5695  -1.679337      5.163126 
1 1 1 -10 28  11 o 30.385  2.4506  133.124   19.462    144.891   27.189    120.759   27.872    31.916  3.2247  28.854  3.6910  3.062174       4.901280 
1 1 1 -10 28  12 o 10.857  2.5212  6.2074    11.423    -21.8853  16.100    34.687    16.210    6.5220  3.1372  15.192  3.9477  -8.670156      5.042418 
1 1 1 -10 28  13 o 10.344  2.8644  10.919    11.513    9.6029    15.641    12.475    17.008    9.9821  3.9481  10.705  4.1512  -0.7229805     5.728901 
1 1 1 -10 28  14 o 29.742  2.6372  130.318   20.240    149.992   28.405    110.027   28.847    32.313  3.3296  27.170  4.0906  5.142492       5.274414 
1 1 1 -10 28  15 o 13.376  3.0713  23.421    14.173    4.1688    19.710    44.036    20.396    9.9341  4.2276  16.818  4.4563  -6.883844      6.142538 
1 1 1 -10 28  16 o 20.864  4.1281  58.165    19.914    111.769   46.395    46.059    22.048    24.727  6.7952  17.001  4.6894  7.725895       8.256223 
1 1 1 -10 28  17 o 5.4363  2.6817  -28.2117  14.042    -28.2117  14.042    0.0000    0.0000    5.4363  2.6817  ?       ?       ?              ?        
1 1 1 -10 29  1  o 7.8870  2.3932  -5.1463   9.6791    -16.0423  13.028    8.2751    14.460    6.0961  2.9024  9.6779  3.8061  -3.581814      4.786496 
1 1 1 -10 29  2  o 27.520  2.6573  107.128   18.746    112.743   29.611    103.372   24.216    27.985  4.0697  27.055  3.4181  0.9302731      5.314628 
1 1 1 -10 29  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 29  4  o 56.062  2.1811  437.767   32.619    426.743   45.865    449.050   46.400    55.330  3.1074  56.794  3.0615  -1.463943      4.362193 
1 1 1 -10 29  5  o 18.321  2.7783  49.579    13.316    63.778    19.163    36.321    18.518    21.036  3.5259  15.607  4.2947  5.429338       5.556629 
1 1 1 -10 29  6  o 25.661  2.5161  94.982    16.755    100.503   23.241    89.008    24.176    26.552  3.3418  24.770  3.7623  1.782345       5.032158 
1 1 1 -10 29  7  f 23.982  2.5894  83.508    16.096    79.832    22.652    87.257    22.876    23.401  3.7399  24.563  3.5824  -1.162195      5.178879 
1 1 1 -10 29  8  o 25.724  2.5886  96.306    17.292    101.906   24.315    90.575    24.598    26.577  3.5010  24.871  3.8140  1.705151       5.177249 
1 1 1 -10 29  9  o 31.217  2.4045  139.977   19.718    128.421   27.731    151.793   28.042    29.814  3.5420  32.620  3.2529  -2.806046      4.809034 
1 1 1 -10 29  10 o 18.263  3.0910  51.167    14.913    52.685    20.538    49.474    21.689    18.623  4.2155  17.902  4.5218  0.7208271      6.182034 
1 1 1 -10 29  11 o 30.222  2.4771  132.403   19.625    140.894   27.620    123.746   27.889    31.309  3.3453  29.135  3.6541  2.173809       4.954194 
1 1 1 -10 29  12 o 11.939  2.8228  14.602    12.800    37.668    18.197    -7.9900   18.009    15.673  4.2345  8.2046  3.7338  7.468737       5.645511 
1 1 1 -10 29  13 o 14.050  3.0258  28.698    13.668    46.135    19.300    11.157    19.358    17.302  4.2057  10.798  4.3513  6.503717       6.051562 
1 1 1 -10 29  14 o 6.9845  2.2955  -12.0614  10.572    -4.8093   14.580    -20.1017  15.352    7.5877  3.4153  6.3814  3.0681  1.206351       4.591006 
1 1 1 -10 29  15 o 17.956  4.5001  51.661    21.600    51.661    21.600    0.0000    0.0000    17.956  4.5001  ?       ?       ?              ?        
1 1 1 -10 30  1  o 33.026  2.2771  153.686   19.874    147.291   27.969    160.209   28.245    32.297  3.2786  33.755  3.1609  -1.458076      4.554178 
1 1 1 -10 30  2  o 43.057  2.1433  259.975   24.504    276.891   34.506    242.765   34.805    44.553  2.9075  41.562  3.1499  2.990913       4.286662 
1 1 1 -10 30  3  o 16.152  2.9723  39.499    13.234    48.690    18.420    29.694    19.026    18.121  3.9098  14.183  4.4779  3.938174       5.944608 
1 1 1 -10 30  4  o 26.408  2.5687  101.868   17.018    71.969    23.583    134.353   24.582    21.964  4.1609  30.852  3.0131  -8.887634      5.137311 
1 1 1 -10 30  5  o 14.392  2.9700  31.440    12.606    40.020    17.017    21.007    18.766    16.334  3.9361  12.450  4.4487  3.884133       5.939999 
1 1 1 -10 30  6  o 9.7452  2.5943  3.6162    10.875    -14.4101  15.020    23.480    15.767    6.7982  3.2005  12.692  4.0838  -5.893961      5.188506 
1 1 1 -10 30  7  o 13.642  3.0652  27.561    12.702    22.651    17.804    32.652    18.128    12.628  4.3470  14.657  4.3226  -2.028574      6.130327 
1 1 1 -10 30  8  o 22.071  2.8642  73.083    16.305    70.828    23.072    75.334    23.045    21.681  4.1236  22.460  3.9762  -0.7785969     5.728372 
1 1 1 -10 30  9  o 28.650  2.6227  121.095   19.256    97.235    27.107    145.400   27.359    25.470  4.1136  31.831  3.2547  -6.360764      5.245472 
1 1 1 -10 30  10 o 24.389  2.8736  89.359    18.103    86.101    25.178    92.845    26.047    23.912  4.0775  24.865  4.0503  -0.9536800     5.747255 
1 1 1 -10 30  11 f 6.2686  2.1141  -17.0528  9.9395    -11.8784  13.926    -22.4256  14.191    6.6599  3.1183  5.8772  2.8554  0.7827115      4.228125 
1 1 1 -10 30  12 o 9.4714  3.1439  -11.5179  14.220    0.9139    35.572    -13.8823  15.513    12.023  5.3791  6.9196  3.2561  5.103674       6.287828 
1 1 1 -10 30  13 o 19.217  4.3860  58.787    22.078    58.787    22.078    0.0000    0.0000    19.217  4.3860  ?       ?       ?              ?        
1 1 1 -10 31  1  o 16.789  3.0511  42.384    14.163    29.130    19.380    57.576    20.748    14.000  4.5300  19.579  4.0885  -5.578067      6.102190 
1 1 1 -10 31  2  o 28.345  2.3615  115.474   17.580    112.246   24.607    118.839   25.126    27.927  3.3570  28.764  3.3224  -0.8368587     4.723074 
1 1 1 -10 31  3  o 22.458  2.6546  74.600    15.358    81.729    21.728    67.483    21.711    23.667  3.5360  21.250  3.9602  2.417475       5.309125 
1 1 1 -10 31  4  o 9.6177  2.7459  6.4040    11.078    0.3868    14.865    13.919    16.613    8.3762  3.6195  10.859  4.1302  -2.482982      5.491712 
1 1 1 -10 31  5  o 17.686  3.0196  47.544    14.446    33.075    19.716    64.313    21.226    14.685  4.5463  20.686  3.9753  -6.001023      6.039188 
1 1 1 -10 31  6  o 9.3549  2.6893  2.6095    11.699    16.565    16.032    -13.2839  17.110    11.246  4.0994  7.4636  3.4820  3.782454       5.378613 
1 1 1 -10 31  7  o 6.9474  2.2449  -12.3429  9.8678    -25.1970  13.703    1.5009    14.221    5.5492  2.7197  8.3455  3.5722  -2.796317      4.489706 
1 1 1 -10 31  8  o 18.031  3.0011  50.548    15.377    23.435    21.386    79.571    22.126    12.921  4.7309  23.141  3.6940  -10.22013      6.002228 
1 1 1 -10 31  9  f 29.314  2.7309  130.346   20.126    164.922   28.484    95.873    28.441    33.782  3.1855  24.845  4.4366  8.936447       5.461800 
1 1 1 -10 31  10 o 17.340  6.5650  53.562    41.853    0.0000    0.0000    53.562    41.853    ?       ?       17.340  6.5650  ?              ?        
1 1 1 -10 31  11 o 11.059  3.0364  11.353    13.785    -2.6532   18.735    27.885    20.355    8.7565  3.9116  13.361  4.6452  -4.604498      6.072804 
1 1 1 -10 32  1  o 48.912  2.2255  341.299   28.999    337.450   40.652    345.286   41.380    48.640  3.1370  49.184  3.1578  -0.5435715     4.451099 
1 1 1 -10 32  2  o 12.383  2.7310  17.663    12.707    42.112    17.510    -9.5415   18.470    16.620  3.9850  8.1464  3.7353  8.473330       5.461928 
1 1 1 -10 32  3  o 4.7041  1.6496  -28.0290  8.1439    -16.7553  10.525    -44.8462  12.855    5.0950  2.4716  4.3131  2.1852  0.7819495      3.299116 
1 1 1 -10 32  4  o 12.607  3.0992  22.429    12.778    18.380    17.017    27.665    19.350    11.655  4.2272  13.560  4.5335  -1.905189      6.198494 
1 1 1 -10 32  5  o 12.866  3.1963  23.673    13.748    18.450    18.892    29.552    20.043    11.835  4.4256  13.898  4.6129  -2.062595      6.392553 
1 1 1 -10 32  6  o 10.581  2.9168  9.0098    12.510    -2.1980   16.562    23.899    19.089    8.3965  3.7185  12.765  4.4948  -4.368301      5.833558 
1 1 1 -10 32  7  o 16.625  3.2202  44.952    15.514    59.962    21.466    28.541    22.446    19.581  4.2174  13.668  4.8674  5.913252       6.440327 
1 1 1 -10 32  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 33  1  o 10.175  2.9496  8.6874    12.693    8.3626    16.618    9.1424    19.668    9.8496  4.0090  10.501  4.3277  -0.6516867     5.899292 
1 1 1 -10 33  2  o 35.358  2.4780  184.296   22.971    204.991   32.275    163.052   32.700    37.618  3.2346  33.099  3.7549  4.519230       4.955994 
1 1 1 -10 33  3  o 17.999  3.1793  51.779    15.307    55.195    21.399    48.200    21.904    18.702  4.3534  17.295  4.6345  1.406666       6.358500 
1 1 1 -10 33  4  o 10.961  2.9994  14.459    12.794    19.819    17.107    7.6568    19.273    11.784  4.2437  10.138  4.2399  1.645930       5.998792 
1 1 1 -10 33  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 33  6  o 7.2070  3.3341  -8.9196   15.187    -8.9196   15.187    0.0000    0.0000    7.2070  3.3341  ?       ?       ?              ?        
1 1 1 -10 34  1  o 18.887  3.0655  55.824    15.979    29.793    21.369    88.840    24.066    13.709  4.7599  24.065  3.8643  -10.35642      6.131006 
1 1 1 -10 34  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -10 34  3  o 26.400  3.9037  108.520   26.771    108.520   26.771    0.0000    0.0000    26.400  3.9037  ?       ?       ?              ?        
1 1 1 -9  -33 8  o 37.925  2.4112  207.664   24.142    232.070   35.188    185.958   33.185    40.122  3.3036  35.728  3.5131  4.394436       4.822470 
1 1 1 -9  -33 9  o 10.585  3.0589  4.4188    14.358    22.080    22.080    -8.5204   18.899    12.816  4.7860  8.3539  3.8107  4.462393       6.117793 
1 1 1 -9  -33 10 o 14.619  3.3638  32.874    15.186    28.254    23.124    36.379    20.138    13.915  4.9420  15.324  4.5649  -1.409242      6.727617 
1 1 1 -9  -33 11 o 22.767  4.6651  80.339    27.493    80.339    27.493    0.0000    0.0000    22.767  4.6651  ?       ?       ?              ?        
1 1 1 -9  -33 12 o 23.632  4.7130  86.466    28.786    86.466    28.786    0.0000    0.0000    23.632  4.7130  ?       ?       ?              ?        
1 1 1 -9  -33 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -33 14 o 17.321  4.4225  46.248    20.589    0.0000    0.0000    46.248    20.589    ?       ?       17.321  4.4225  ?              ?        
1 1 1 -9  -33 15 o 45.992  3.3993  303.250   41.579    0.0000    0.0000    303.250   41.579    ?       ?       45.992  3.3993  ?              ?        
1 1 1 -9  -33 16 o 9.9408  4.0105  8.4796    16.465    0.0000    0.0000    8.4796    16.465    ?       ?       9.9408  4.0105  ?              ?        
1 1 1 -9  -33 17 o 45.399  3.1946  269.750   34.615    416.639   69.664    221.596   39.887    51.917  5.0746  38.881  3.8819  13.03570       6.389111 
1 1 1 -9  -33 18 o 34.844  2.6563  177.187   24.374    187.750   35.180    167.435   33.800    35.882  3.7142  33.807  3.7985  2.074532       5.312623 
1 1 1 -9  -33 19 o 17.653  3.3026  42.848    18.076    86.541    28.036    11.763    23.648    23.707  4.5809  11.598  4.7586  12.10919       6.605196 
1 1 1 -9  -33 20 o 16.583  3.6118  44.260    17.843    35.971    27.600    50.212    23.389    15.333  5.4040  17.834  4.7933  -2.501111      7.223518 
1 1 1 -9  -33 21 o 11.790  3.3715  14.007    16.367    10.021    26.165    16.568    20.978    11.726  4.9242  11.854  4.6065  -0.1281519     6.742981 
1 1 1 -9  -33 22 o 32.766  2.8863  161.050   24.657    147.978   35.183    173.669   34.566    31.243  4.3198  34.289  3.8290  -3.045614      5.772511 
1 1 1 -9  -33 23 o 40.784  2.6905  246.194   28.877    221.195   41.000    270.803   40.678    38.476  4.0386  43.092  3.5561  -4.615540      5.381072 
1 1 1 -9  -33 24 o 10.684  3.2493  -2.2512   17.396    20.711    26.907    -18.7429  22.803    12.994  5.1661  8.3736  3.9426  4.620812       6.498628 
1 1 1 -9  -33 25 o 21.311  3.4017  73.352    20.300    116.531   29.601    35.013    27.892    27.666  4.1203  14.955  5.4139  12.71037       6.803437 
1 1 1 -9  -33 26 o 15.053  3.5675  34.782    19.117    8.2978    28.578    56.233    25.720    11.680  5.0327  18.426  5.0577  -6.746202      7.135045 
1 1 1 -9  -33 27 o 12.935  3.6334  21.625    18.775    26.716    27.829    17.372    25.435    13.637  5.3040  12.233  4.9673  1.403524       7.266801 
1 1 1 -9  -33 28 o 21.368  3.6902  78.355    22.929    122.143   33.164    38.256    31.736    27.558  4.6590  15.178  5.7239  12.37987       7.380359 
1 1 1 -9  -32 3  o 24.591  2.7866  90.334    17.694    91.409    25.952    89.401    24.187    24.645  4.0738  24.537  3.8032  0.1082611      5.573166 
1 1 1 -9  -32 4  o 10.606  2.9858  10.652    12.611    14.485    19.434    7.8648    16.574    11.361  4.4287  9.8509  4.0060  1.510488       5.971693 
1 1 1 -9  -32 5  o 19.437  3.1965  57.892    16.203    60.669    24.756    55.811    21.432    19.735  4.7422  19.139  4.2873  0.5961914      6.392930 
1 1 1 -9  -32 6  o 36.784  2.3828  192.989   23.172    209.115   33.678    178.493   31.931    38.285  3.3170  35.283  3.4218  3.001286       4.765624 
1 1 1 -9  -32 7  o 41.698  3.3657  247.777   37.270    247.777   37.270    0.0000    0.0000    41.698  3.3657  ?       ?       ?              ?        
1 1 1 -9  -32 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -32 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -32 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -32 11 o 33.337  3.6480  159.778   32.042    159.778   32.042    0.0000    0.0000    33.337  3.6480  ?       ?       ?              ?        
1 1 1 -9  -32 12 o 19.118  7.4722  55.916    55.438    0.0000    0.0000    55.916    55.438    ?       ?       19.118  7.4722  ?              ?        
1 1 1 -9  -32 13 o 23.904  3.9517  83.829    24.418    0.0000    0.0000    83.829    24.418    ?       ?       23.904  3.9517  ?              ?        
1 1 1 -9  -32 14 o 9.3288  3.9552  2.7935    17.141    0.0000    0.0000    2.7935    17.141    ?       ?       9.3288  3.9552  ?              ?        
1 1 1 -9  -32 15 o 23.897  4.0690  84.218    25.111    0.0000    0.0000    84.218    25.111    ?       ?       23.897  4.0690  ?              ?        
1 1 1 -9  -32 16 o 33.171  2.6075  158.771   22.685    153.302   33.078    163.628   31.170    32.506  3.8755  33.835  3.4895  -1.328335      5.214986 
1 1 1 -9  -32 17 o 18.998  3.4908  55.830    17.892    57.611    26.248    54.285    24.454    19.240  5.0349  18.755  4.8365  0.4850292      6.981570 
1 1 1 -9  -32 18 o 48.125  2.3582  328.661   30.169    344.010   42.467    313.022   42.867    49.347  3.2308  46.904  3.4360  2.442535       4.716356 
1 1 1 -9  -32 19 o 37.088  2.5573  197.652   25.073    198.281   35.932    197.054   35.003    37.115  3.6623  37.062  3.5703  0.5268860E-01  5.114591 
1 1 1 -9  -32 20 f 39.298  2.5941  223.081   26.810    248.372   37.890    197.722   37.941    41.728  3.4201  36.868  3.9014  4.860626       5.188237 
1 1 1 -9  -32 21 o 38.146  2.6025  210.127   26.091    184.001   36.430    237.641   37.385    35.534  3.8912  40.759  3.4570  -5.224602      5.205067 
1 1 1 -9  -32 22 o 25.224  3.3373  96.811    21.665    112.058   31.829    83.649    29.573    27.231  4.5225  23.217  4.9090  4.013769       6.674655 
1 1 1 -9  -32 23 o 52.094  2.4196  388.158   33.525    363.602   47.104    413.368   47.726    50.326  3.5166  53.862  3.3245  -3.535805      4.839225 
1 1 1 -9  -32 24 o 8.4001  3.9579  -20.3518  23.059    0.0000    0.0000    -20.3518  23.059    ?       ?       8.4001  3.9579  ?              ?        
1 1 1 -9  -32 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -32 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -32 27 o 10.305  3.2238  -1.2216   17.369    1.6941    26.616    -3.3841   22.922    10.889  4.7721  9.7207  4.3357  1.168640       6.447563 
1 1 1 -9  -32 28 f 30.987  3.0412  146.226   24.531    155.678   35.428    137.519   34.001    32.012  4.2358  29.961  4.3652  2.051279       6.082469 
1 1 1 -9  -32 29 f 9.0730  2.9482  -10.7049  16.482    -18.1115  24.821    -4.8636   22.043    8.8187  4.1398  9.3274  4.1988  -0.5087490     5.896453 
1 1 1 -9  -32 30 o 9.8741  3.1756  -6.5290   18.326    -11.9404  28.218    -2.5814   24.101    9.8582  4.5551  9.8899  4.4259  -0.3170872E-01 6.351154 
1 1 1 -9  -32 31 o 24.102  3.6077  96.488    22.593    113.855   32.958    81.092    31.031    26.456  4.8290  21.748  5.3613  4.707800       7.215404 
1 1 1 -9  -31 1  o 22.211  2.8863  72.562    16.433    84.813    25.064    63.326    21.764    23.875  4.0651  20.546  4.0984  3.328848       5.772511 
1 1 1 -9  -31 2  o 13.002  3.2782  23.038    14.700    15.145    22.312    29.093    19.541    11.967  4.7211  14.036  4.5496  -2.069214      6.556446 
1 1 1 -9  -31 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -31 4  o 24.737  3.6838  88.623    23.663    0.0000    0.0000    88.623    23.663    ?       ?       24.737  3.6838  ?              ?        
1 1 1 -9  -31 5  o 12.795  3.2412  20.341    14.103    29.845    21.922    13.630    18.420    14.370  4.8253  11.220  4.3287  3.149588       6.482367 
1 1 1 -9  -31 6  o 41.765  2.3066  245.028   25.541    268.023   37.187    224.494   35.141    43.661  3.2022  39.869  3.3209  3.791729       4.613290 
1 1 1 -9  -31 7  o 14.093  3.3043  26.846    15.079    40.457    22.245    15.274    20.510    16.362  4.7777  11.823  4.5659  4.539468       6.608620 
1 1 1 -9  -31 8  o 14.098  4.8251  28.093    21.925    28.093    21.925    0.0000    0.0000    14.098  4.8251  ?       ?       ?              ?        
1 1 1 -9  -31 9  o 27.434  3.8708  108.866   27.652    108.866   27.652    0.0000    0.0000    27.434  3.8708  ?       ?       ?              ?        
1 1 1 -9  -31 10 o 20.574  4.6618  63.966    25.096    63.966    25.096    0.0000    0.0000    20.574  4.6618  ?       ?       ?              ?        
1 1 1 -9  -31 11 o 9.0484  4.5015  -94.2384  42.848    0.0000    0.0000    -94.2384  42.848    ?       ?       9.0484  4.5015  ?              ?        
1 1 1 -9  -31 12 o 30.545  3.4206  132.546   27.506    0.0000    0.0000    132.546   27.506    ?       ?       30.545  3.4206  ?              ?        
1 1 1 -9  -31 13 o 32.995  3.4007  154.365   29.623    0.0000    0.0000    154.365   29.623    ?       ?       32.995  3.4007  ?              ?        
1 1 1 -9  -31 14 o 11.375  4.1640  15.985    16.567    0.0000    0.0000    15.985    16.567    ?       ?       11.375  4.1640  ?              ?        
1 1 1 -9  -31 15 o 28.157  2.6488  113.577   19.413    121.512   28.976    107.115   26.149    29.018  3.8210  27.297  3.6695  1.721334       5.297649 
1 1 1 -9  -31 16 o 12.378  3.0498  16.800    14.662    -9.6949   22.642    35.934    19.242    9.2611  4.2038  15.496  4.4196  -6.234489      6.099576 
1 1 1 -9  -31 17 o 60.803  2.2887  519.506   37.109    541.667   52.478    497.343   52.482    62.168  3.1620  59.438  3.3096  2.729809       4.577300 
1 1 1 -9  -31 18 o 14.808  3.3836  28.503    16.220    50.616    24.863    12.118    21.402    18.140  4.9701  11.476  4.5926  6.663685       6.767104 
1 1 1 -9  -31 19 o 21.698  3.2868  71.296    18.529    74.807    26.445    67.910    25.970    22.266  4.5869  21.131  4.7088  1.135466       6.573625 
1 1 1 -9  -31 20 o 12.101  3.3718  15.033    16.263    7.5762    24.953    20.539    21.441    11.471  4.8126  12.732  4.7238  -1.260824      6.743607 
1 1 1 -9  -31 21 o 15.775  3.5459  37.726    16.855    35.221    25.174    39.761    22.692    15.397  5.1708  16.153  4.8533  -0.7565212     7.091731 
1 1 1 -9  -31 22 o 11.168  3.0996  7.1958    15.396    -16.9234  23.186    26.219    20.592    8.7451  4.0710  13.591  4.6752  -4.846180      6.199203 
1 1 1 -9  -31 23 o 44.376  2.4096  280.637   28.365    264.524   40.349    296.379   39.883    43.011  3.5336  45.740  3.2771  -2.728954      4.819257 
1 1 1 -9  -31 24 o 54.300  2.3436  418.544   33.881    438.509   47.761    398.320   48.070    55.697  3.2152  52.902  3.4106  2.794403       4.687154 
1 1 1 -9  -31 25 o 31.103  2.8219  141.993   22.945    148.453   32.548    135.610   32.351    31.878  3.8927  30.328  4.0865  1.550825       5.643819 
1 1 1 -9  -31 26 o 9.9511  3.0875  -1.8896   16.052    -10.9456  23.874    5.5812    21.684    9.3348  4.2678  10.567  4.4627  -1.232650      6.174908 
1 1 1 -9  -31 27 o 16.934  3.7108  44.377    18.847    57.247    27.773    33.391    25.660    18.910  5.2807  14.958  5.2147  3.951797       7.421577 
1 1 1 -9  -31 28 o 29.805  2.9750  133.239   22.999    124.424   32.960    141.604   32.109    28.660  4.4369  30.950  3.9644  -2.289513      5.950034 
1 1 1 -9  -31 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -31 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -31 31 o 14.173  3.7257  29.555    18.753    29.206    28.907    29.808    24.642    14.250  5.4414  14.095  5.0907  0.1557655      7.451462 
1 1 1 -9  -31 32 o 15.560  3.7665  39.513    18.868    38.402    28.272    40.405    25.335    15.401  5.4650  15.718  5.1848  -0.3174362     7.533096 
1 1 1 -9  -31 33 o 33.890  2.8784  175.561   25.485    195.828   36.838    156.958   35.294    35.959  3.8865  31.821  4.2469  4.137918       5.756874 
1 1 1 -9  -31 34 o 14.889  3.8002  35.846    19.683    48.774    29.211    25.095    26.638    16.603  5.5700  13.175  5.1711  3.427646       7.600322 
1 1 1 -9  -30 1  o 28.005  2.5674  112.168   18.752    123.457   27.357    102.164   25.754    29.389  3.5471  26.622  3.7128  2.766993       5.134859 
1 1 1 -9  -30 2  o 20.477  3.0224  63.135    15.952    55.281    23.900    69.445    21.422    19.097  4.7035  21.857  3.7970  -2.760448      6.044850 
1 1 1 -9  -30 3  o 36.646  2.2706  188.110   22.025    201.967   32.183    175.904   30.206    37.926  3.1979  35.365  3.2242  2.560692       4.541175 
1 1 1 -9  -30 4  o 18.540  3.0173  50.885    14.669    56.841    21.530    45.724    20.040    19.576  4.2296  17.504  4.3044  2.072422       6.034661 
1 1 1 -9  -30 5  o 23.758  2.7841  82.342    16.995    78.230    25.064    85.842    23.123    23.067  4.2119  24.449  3.6421  -1.382378      5.568213 
1 1 1 -9  -30 6  f 14.136  2.8275  19.948    14.524    58.745    21.508    -12.5755  19.692    19.950  4.1597  8.3222  3.8310  11.62789       5.655072 
1 1 1 -9  -30 7  o 26.367  3.8749  100.278   26.549    100.278   26.549    0.0000    0.0000    26.367  3.8749  ?       ?       ?              ?        
1 1 1 -9  -30 8  o 17.641  4.6285  46.753    22.143    46.753    22.143    0.0000    0.0000    17.641  4.6285  ?       ?       ?              ?        
1 1 1 -9  -30 9  o 6.6960  3.2928  -40.3884  20.630    -40.3884  20.630    0.0000    0.0000    6.6960  3.2928  ?       ?       ?              ?        
1 1 1 -9  -30 10 o 9.2714  4.5726  -77.9661  40.757    0.0000    0.0000    -77.9661  40.757    ?       ?       9.2714  4.5726  ?              ?        
1 1 1 -9  -30 11 o 50.792  3.0894  359.149   41.831    0.0000    0.0000    359.149   41.831    ?       ?       50.792  3.0894  ?              ?        
1 1 1 -9  -30 12 o 39.488  3.1623  217.904   33.166    0.0000    0.0000    217.904   33.166    ?       ?       39.488  3.1623  ?              ?        
1 1 1 -9  -30 13 f 53.121  3.1089  402.818   38.278    416.286   74.944    398.065   44.524    52.776  5.3768  53.467  3.1226  -0.6914635     6.217762 
1 1 1 -9  -30 14 o 24.804  2.7811  89.354    17.703    84.674    26.388    93.183    23.872    24.051  4.2517  25.556  3.5863  -1.504400      5.562223 
1 1 1 -9  -30 15 o 31.504  2.4932  140.743   20.649    136.805   29.623    144.465   28.799    31.018  3.6345  31.990  3.4138  -0.9724598     4.986312 
1 1 1 -9  -30 16 o 37.422  2.3580  197.593   23.103    231.768   32.945    164.526   32.406    40.789  3.0372  34.054  3.6077  6.734642       4.715973 
1 1 1 -9  -30 17 o 27.483  2.7341  108.963   19.495    101.832   27.995    115.678   27.165    26.492  4.0759  28.475  3.6454  -1.982491      5.468290 
1 1 1 -9  -30 18 o 8.3454  2.6043  -16.1663  11.838    11.224    19.775    -31.4650  14.779    11.136  4.4283  5.5548  2.7421  5.581118       5.208561 
1 1 1 -9  -30 19 o 25.699  2.9460  96.547    19.562    93.699    28.060    99.239    27.286    25.255  4.3023  26.144  4.0257  -0.8883877     5.892028 
1 1 1 -9  -30 20 o 41.686  2.3611  244.411   26.117    230.811   36.357    258.912   37.543    40.454  3.3865  42.918  3.2910  -2.464497      4.722149 
1 1 1 -9  -30 21 o 17.751  3.2979  47.298    16.200    60.979    23.439    34.786    22.416    20.175  4.4564  15.328  4.8627  4.846773       6.595861 
1 1 1 -9  -30 22 o 17.165  3.3724  43.902    16.537    59.756    24.168    29.942    22.678    19.873  4.6268  14.458  4.9075  5.415118       6.744725 
1 1 1 -9  -30 23 o 16.524  3.2517  37.034    17.427    71.923    25.476    6.3528    23.890    21.882  4.4970  11.165  4.6980  10.71677       6.503387 
1 1 1 -9  -30 24 o 28.180  2.7989  115.730   20.479    105.492   28.668    126.399   29.265    26.793  4.1272  29.568  3.7818  -2.774990      5.597851 
1 1 1 -9  -30 25 o 26.077  2.9944  101.221   20.063    89.057    28.644    112.934   28.110    24.306  4.5676  27.849  3.8733  -3.543095      5.988744 
1 1 1 -9  -30 26 o 13.978  3.5478  27.223    16.931    24.068    25.169    29.831    22.882    13.612  5.1046  14.344  4.9286  -0.7328091     7.095634 
1 1 1 -9  -30 27 o 31.762  2.6989  146.955   22.461    141.880   32.213    151.757   31.334    31.134  3.9518  32.390  3.6769  -1.256454      5.397816 
1 1 1 -9  -30 28 o 13.125  3.2073  15.858    17.026    -18.1464  24.698    46.653    23.504    8.9499  4.1781  17.300  4.8674  -8.350068      6.414699 
1 1 1 -9  -30 29 o 27.203  3.0256  110.970   21.280    109.142   30.808    112.638   29.428    26.882  4.4333  27.523  4.1185  -0.6409397     6.051109 
1 1 1 -9  -30 30 o 25.304  3.1324  96.373    20.305    118.613   30.078    77.753    27.522    28.226  4.0982  22.382  4.7385  5.844091       6.264872 
1 1 1 -9  -30 31 o 25.032  3.2671  96.474    21.079    99.431    30.608    93.806    29.072    25.365  4.6775  24.700  4.5625  0.6650963      6.534151 
1 1 1 -9  -30 32 o 24.188  8.0836  118.686   61.521    0.0000    0.0000    118.686   61.521    ?       ?       24.188  8.0836  ?              ?        
1 1 1 -9  -30 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -30 34 o 13.593  3.5244  22.142    18.021    46.560    27.267    3.2062    24.013    16.699  5.3702  10.487  4.5658  6.211429       7.048840 
1 1 1 -9  -30 35 o 18.461  3.6413  58.162    19.889    35.362    28.545    79.674    27.728    14.820  5.4597  22.101  4.8197  -7.281520      7.282692 
1 1 1 -9  -30 36 o 19.114  3.8433  64.509    20.694    70.764    29.317    58.297    29.216    20.139  5.3459  18.090  5.5232  2.048883       7.686637 
1 1 1 -9  -29 1  o 24.778  2.6793  89.823    16.886    73.317    24.492    104.779   23.313    22.315  4.2529  27.240  3.2600  -4.925123      5.358626 
1 1 1 -9  -29 2  o 16.488  3.0333  37.878    13.668    56.674    21.739    25.590    17.577    19.568  4.2679  13.408  4.3115  6.159615       6.066627 
1 1 1 -9  -29 3  o 24.578  2.5496  85.952    16.200    98.414    23.702    75.026    22.192    26.338  3.4421  22.818  3.7621  3.519232       5.099179 
1 1 1 -9  -29 4  o 47.128  2.1033  308.024   26.396    323.373   37.727    293.304   36.946    48.306  2.9297  45.950  3.0187  2.356113       4.206581 
1 1 1 -9  -29 5  o 18.040  2.9845  48.004    14.551    30.847    20.215    66.454    20.962    14.617  4.6158  21.464  3.7845  -6.846631      5.968909 
1 1 1 -9  -29 6  o 19.252  4.3100  54.653    21.672    54.653    21.672    0.0000    0.0000    19.252  4.3100  ?       ?       ?              ?        
1 1 1 -9  -29 7  o 11.083  4.2967  12.280    18.217    12.280    18.217    0.0000    0.0000    11.083  4.2967  ?       ?       ?              ?        
1 1 1 -9  -29 8  o 33.555  5.4074  168.130   46.948    168.130   46.948    0.0000    0.0000    33.555  5.4074  ?       ?       ?              ?        
1 1 1 -9  -29 9  o 17.424  3.9479  44.227    17.998    0.0000    0.0000    44.227    17.998    ?       ?       17.424  3.9479  ?              ?        
1 1 1 -9  -29 10 o 28.181  3.3434  111.444   24.745    0.0000    0.0000    111.444   24.745    ?       ?       28.181  3.3434  ?              ?        
1 1 1 -9  -29 11 o 43.090  3.0735  257.080   35.240    0.0000    0.0000    257.080   35.240    ?       ?       43.090  3.0735  ?              ?        
1 1 1 -9  -29 12 o 41.844  3.1486  256.780   29.866    237.143   57.703    263.965   34.904    39.982  5.5369  43.705  2.9998  -3.723579      6.297276 
1 1 1 -9  -29 13 o 23.974  2.5933  81.556    16.109    84.977    23.399    78.474    22.211    24.453  3.6872  23.494  3.6477  0.9580898      5.186696 
1 1 1 -9  -29 14 o 31.604  2.3971  139.807   19.973    140.535   28.447    139.099   28.049    31.679  3.4060  31.528  3.3738  0.1508026      4.794104 
1 1 1 -9  -29 15 o 12.912  3.2196  21.613    13.867    18.753    20.958    23.840    18.494    12.600  4.6712  13.224  4.4320  -0.6237936     6.439152 
1 1 1 -9  -29 16 o 50.500  2.1810  353.504   29.263    382.260   41.207    324.249   41.563    52.659  2.9331  48.340  3.2286  4.319221       4.361998 
1 1 1 -9  -29 17 o 22.925  2.8739  75.872    16.935    87.667    24.340    64.804    23.578    24.793  3.7852  21.056  4.3253  3.737123       5.747708 
1 1 1 -9  -29 18 o 46.418  2.2250  298.550   27.466    279.283   38.249    319.061   39.465    44.837  3.2061  47.999  3.0860  -3.162415      4.449988 
1 1 1 -9  -29 19 o 27.338  2.7372  106.609   19.468    112.143   27.956    101.400   27.125    28.059  3.8189  26.617  3.9223  1.442114       5.474335 
1 1 1 -9  -29 20 o 11.773  3.1933  14.142    14.099    19.467    21.251    9.9551    18.843    12.713  4.7056  10.834  4.3180  1.878846       6.386544 
1 1 1 -9  -29 21 o 35.593  2.3613  177.568   22.245    181.541   31.588    173.660   31.332    36.003  3.3128  35.183  3.3659  0.8206787      4.722679 
1 1 1 -9  -29 22 o 46.546  2.2940  302.355   28.319    271.453   39.497    335.051   40.627    44.010  3.3763  49.081  3.1064  -5.070999      4.587926 
1 1 1 -9  -29 23 o 13.340  3.0720  17.680    15.823    -15.2399  23.015    47.191    21.791    8.9225  4.1195  17.758  4.5583  -8.835461      6.143965 
1 1 1 -9  -29 24 o 29.592  2.6491  125.780   20.324    108.031   28.594    143.903   28.894    27.301  4.0316  31.883  3.4378  -4.582361      5.298277 
1 1 1 -9  -29 25 o 30.494  2.6501  133.370   21.171    139.841   30.169    127.091   29.718    31.271  3.6718  29.716  3.8223  1.554169       5.300170 
1 1 1 -9  -29 26 o 36.787  2.4431  192.186   23.775    197.450   33.445    186.808   33.803    37.344  3.3804  36.230  3.5281  1.113987       4.886155 
1 1 1 -9  -29 27 o 31.266  2.6829  140.806   21.764    166.421   31.657    117.849   29.970    34.145  3.5115  28.387  4.0571  5.757639       5.365726 
1 1 1 -9  -29 28 o 33.385  2.5265  160.008   22.217    158.081   31.985    161.805   30.884    33.132  3.6655  33.639  3.4780  -0.5065346     5.052961 
1 1 1 -9  -29 29 o 13.529  3.3687  23.581    16.565    4.5109    24.506    39.625    22.477    10.990  4.6964  16.068  4.8309  -5.077926      6.737487 
1 1 1 -9  -29 30 o 15.111  3.6028  34.276    17.548    26.604    25.708    40.968    24.011    13.967  5.1744  16.254  5.0147  -2.286130      7.205687 
1 1 1 -9  -29 31 o 24.282  3.1497  89.785    19.665    86.355    28.792    92.783    26.924    23.675  4.7061  24.889  4.1874  -1.213764      6.299374 
1 1 1 -9  -29 32 o 16.743  3.4233  40.825    17.775    69.736    26.492    17.152    23.972    21.119  4.7930  12.368  4.8890  8.751390       6.846545 
1 1 1 -9  -29 33 f 25.882  3.1065  101.218   20.684    116.119   30.620    88.715    28.050    27.746  4.2561  24.017  4.5264  3.728903       6.213071 
1 1 1 -9  -29 34 o 17.129  3.7739  47.301    19.488    58.737    28.073    36.663    27.076    18.922  5.3180  15.336  5.3560  3.586454       7.547732 
1 1 1 -9  -29 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -29 36 o 9.5079  2.9817  -12.3566  16.521    14.840    23.873    -37.3513  22.887    11.794  4.8034  7.2213  3.5340  4.573146       5.963416 
1 1 1 -9  -29 37 o 8.3556  2.7871  -18.8443  16.370    -26.4892  23.524    -11.6671  22.793    7.9169  3.8042  8.7944  4.0742  -0.8775091     5.574126 
1 1 1 -9  -29 38 f 22.882  3.5867  89.150    21.410    92.825    30.407    85.538    30.152    23.443  4.9953  22.321  5.1483  1.122259       7.173393 
1 1 1 -9  -28 1  o 28.316  2.3504  113.283   17.207    135.233   24.612    92.296    24.066    31.172  2.9842  25.459  3.6321  5.712872       4.700812 
1 1 1 -9  -28 2  f 25.924  2.4576  94.810    16.572    105.554   24.016    85.044    22.897    27.394  3.3425  24.454  3.6039  2.940121       4.915276 
1 1 1 -9  -28 3  o 41.757  2.1299  241.512   23.636    236.527   33.994    246.178   32.885    41.300  3.0955  42.215  2.9264  -0.9143562     4.259808 
1 1 1 -9  -28 4  o 21.100  2.8413  64.050    15.432    52.913    21.186    76.638    22.523    19.022  4.2636  23.177  3.7568  -4.154322      5.682558 
1 1 1 -9  -28 5  o 35.413  3.1011  173.792   29.118    173.792   29.118    0.0000    0.0000    35.413  3.1011  ?       ?       ?              ?        
1 1 1 -9  -28 6  o 21.582  4.0683  67.084    22.654    67.084    22.654    0.0000    0.0000    21.582  4.0683  ?       ?       ?              ?        
1 1 1 -9  -28 7  o 39.609  5.1630  227.895   53.473    227.895   53.473    0.0000    0.0000    39.609  5.1630  ?       ?       ?              ?        
1 1 1 -9  -28 8  o 28.755  3.3423  115.311   25.262    0.0000    0.0000    115.311   25.262    ?       ?       28.755  3.3423  ?              ?        
1 1 1 -9  -28 9  o 13.056  3.9416  24.004    14.940    0.0000    0.0000    24.004    14.940    ?       ?       13.056  3.9416  ?              ?        
1 1 1 -9  -28 10 o 11.492  4.1699  15.679    16.561    0.0000    0.0000    15.679    16.561    ?       ?       11.492  4.1699  ?              ?        
1 1 1 -9  -28 11 o 18.011  3.6427  48.821    17.234    37.808    35.217    52.288    19.761    16.957  6.0907  19.065  3.9976  -2.107498      7.285391 
1 1 1 -9  -28 12 o 28.065  2.3883  109.718   17.576    115.748   25.181    103.989   24.543    28.844  3.3198  27.285  3.4344  1.559111       4.776615 
1 1 1 -9  -28 13 o 17.161  3.0725  42.609    14.122    45.717    20.664    39.886    19.345    17.736  4.3765  16.587  4.3137  1.149460       6.145064 
1 1 1 -9  -28 14 o 35.862  2.2736  178.810   21.356    207.687   30.260    150.150   30.145    38.880  2.9272  32.843  3.4798  6.036320       4.547238 
1 1 1 -9  -28 15 o 33.173  2.3656  153.392   20.560    173.359   29.063    133.388   29.089    35.447  3.0919  30.899  3.5812  4.548599       4.731299 
1 1 1 -9  -28 16 o 53.078  2.1240  386.855   30.056    390.955   41.949    382.531   43.084    53.393  2.9446  52.763  3.0618  0.6300659      4.248002 
1 1 1 -9  -28 17 o 28.698  2.5042  115.567   18.732    103.438   26.498    127.685   26.485    27.094  3.7521  30.302  3.3174  -3.207621      5.008335 
1 1 1 -9  -28 18 o 41.423  2.2241  237.864   24.293    269.964   34.341    205.708   34.371    44.336  2.9079  38.509  3.3661  5.827194       4.448214 
1 1 1 -9  -28 19 o 47.947  2.1656  316.597   27.660    317.575   38.753    315.582   39.490    48.038  3.0273  47.857  3.0974  0.1814499      4.331108 
1 1 1 -9  -28 20 o 22.953  2.8716  75.820    16.951    84.879    23.951    66.729    23.993    24.458  3.7778  21.448  4.3258  3.009819       5.743198 
1 1 1 -9  -28 21 o 44.430  2.1981  272.757   25.984    274.777   36.353    270.646   37.154    44.619  3.0603  44.240  3.1562  0.3794708      4.396220 
1 1 1 -9  -28 22 o 18.177  3.1235  48.669    16.278    21.524    23.012    75.859    23.031    13.326  4.9031  23.028  3.8712  -9.702470      6.247100 
1 1 1 -9  -28 23 o 52.718  2.1551  383.998   30.295    388.491   42.624    379.411   43.067    53.049  3.0121  52.387  3.0829  0.6625862      4.310134 
1 1 1 -9  -28 24 o 15.610  3.3573  35.233    15.629    25.694    22.198    44.611    22.010    13.871  4.8493  17.348  4.6444  -3.477195      6.714674 
1 1 1 -9  -28 25 o 16.979  3.3126  42.298    16.095    57.509    23.121    27.994    22.420    19.706  4.4816  14.253  4.8794  5.453217       6.625183 
1 1 1 -9  -28 26 o 38.452  2.3526  208.490   23.732    177.088   33.596    239.764   33.528    35.384  3.5948  41.521  3.0358  -6.136845      4.705156 
1 1 1 -9  -28 27 o 35.536  2.3928  179.599   22.149    148.877   31.537    209.503   31.114    32.308  3.7118  38.763  3.0206  -6.455223      4.785518 
1 1 1 -9  -28 28 o 14.005  3.4561  26.973    15.947    30.760    23.300    23.637    21.871    14.660  4.9744  13.349  4.7993  1.311585       6.912137 
1 1 1 -9  -28 29 o 13.940  3.3957  26.039    16.356    10.590    23.825    39.810    22.493    11.670  4.7808  16.209  4.8235  -4.539418      6.791324 
1 1 1 -9  -28 30 o 9.2278  2.8527  -5.9590   14.312    -23.3905  21.009    9.1352    19.550    7.7549  3.6903  10.701  4.3511  -2.945802      5.705334 
1 1 1 -9  -28 31 o 24.144  3.1746  93.745    19.405    47.057    28.002    136.879   26.915    17.308  5.4279  30.980  3.2941  -13.67223      6.349235 
1 1 1 -9  -28 32 o 13.162  3.3150  17.716    16.332    43.157    24.541    -2.5080   21.881    16.626  5.0589  9.6973  4.2853  6.928505       6.629990 
1 1 1 -9  -28 33 o 25.726  3.2008  100.452   20.908    135.187   30.812    70.810    28.463    30.319  3.8834  21.133  5.0892  9.185619       6.401637 
1 1 1 -9  -28 34 o 16.623  3.5672  43.753    17.791    31.422    25.653    55.179    24.695    14.576  5.2021  18.671  4.8825  -4.095711      7.134477 
1 1 1 -9  -28 35 o 19.007  3.5340  57.736    18.635    73.523    26.734    42.816    25.990    21.644  4.7425  16.369  5.2407  5.274199       7.067960 
1 1 1 -9  -28 36 f 21.833  3.4742  77.155    19.962    61.699    28.767    91.508    27.722    19.309  5.3681  24.356  4.4117  -5.046947      6.948399 
1 1 1 -9  -28 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -28 38 o 23.567  3.5224  91.323    21.543    98.085    30.273    84.385    30.664    24.677  4.7525  22.458  5.2002  2.218908       7.044748 
1 1 1 -9  -28 39 o 20.521  3.6869  72.987    20.831    53.896    29.270    92.582    29.653    17.382  5.5612  23.661  4.8422  -6.278297      7.373820 
1 1 1 -9  -28 40 o 21.319  3.7261  81.166    21.446    65.626    30.310    96.743    30.347    18.800  5.6003  23.837  4.9164  -5.036543      7.452166 
1 1 1 -9  -27 1  o 53.982  2.0946  400.838   30.168    403.413   42.968    398.334   42.367    54.147  2.9740  53.816  2.9504  0.3314476      4.189228 
1 1 1 -9  -27 2  o 22.836  2.6063  74.536    15.269    65.223    22.044    83.124    21.169    21.315  4.0083  24.357  3.3323  -3.041977      5.212532 
1 1 1 -9  -27 3  o 32.767  2.5593  154.223   21.182    170.755   27.592    130.501   33.052    35.213  2.9527  30.320  4.1811  4.893196       5.118574 
1 1 1 -9  -27 4  o 7.1004  3.2999  -12.8465  15.135    -12.8465  15.135    0.0000    0.0000    7.1004  3.2999  ?       ?       ?              ?        
1 1 1 -9  -27 5  o 11.734  4.2727  16.158    17.410    16.158    17.410    0.0000    0.0000    11.734  4.2727  ?       ?       ?              ?        
1 1 1 -9  -27 6  o 41.381  4.8235  243.563   52.460    243.563   52.460    0.0000    0.0000    41.381  4.8235  ?       ?       ?              ?        
1 1 1 -9  -27 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -27 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -27 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -27 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -27 11 o 23.721  3.5501  78.731    21.862    0.0000    0.0000    78.731    21.862    ?       ?       23.721  3.5501  ?              ?        
1 1 1 -9  -27 12 o 15.739  3.0217  35.188    12.998    38.217    19.612    32.815    17.359    16.317  4.3908  15.162  4.1524  1.154886       6.043313 
1 1 1 -9  -27 13 o 30.205  2.3404  126.194   18.602    120.788   26.417    131.511   26.200    29.529  3.4023  30.880  3.2147  -1.350842      4.680795 
1 1 1 -9  -27 14 o 46.458  2.0852  295.127   25.790    307.530   36.368    282.581   36.578    47.467  2.8740  45.449  3.0220  2.018509       4.170407 
1 1 1 -9  -27 15 o 13.208  2.9990  23.231    12.657    11.834    18.713    32.842    17.183    11.252  4.3568  15.164  4.1224  -3.911951      5.997963 
1 1 1 -9  -27 16 o 20.563  2.9792  61.419    15.839    48.409    22.874    73.402    21.954    18.289  4.6571  22.838  3.7168  -4.549431      5.958477 
1 1 1 -9  -27 17 o 60.337  2.7476  491.549   40.806    536.794   74.644    472.265   48.732    61.924  4.5319  58.749  3.1080  3.174927       5.495188 
1 1 1 -9  -27 18 o 62.597  4.0065  543.750   66.823    0.0000    0.0000    543.750   66.823    ?       ?       62.597  4.0065  ?              ?        
1 1 1 -9  -27 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -27 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -27 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -27 22 o 28.414  3.7204  113.335   27.634    113.335   27.634    0.0000    0.0000    28.414  3.7204  ?       ?       ?              ?        
1 1 1 -9  -27 23 o 43.023  2.1799  255.550   24.868    276.305   35.000    234.388   35.341    44.857  2.9291  41.189  3.2293  3.668579       4.359768 
1 1 1 -9  -27 24 o 28.323  2.5460  112.679   18.858    118.390   26.784    107.065   26.557    29.076  3.5101  27.569  3.6889  1.507084       5.092088 
1 1 1 -9  -27 25 o 29.111  2.5029  119.600   18.947    105.090   26.997    133.685   26.598    27.237  3.8043  30.985  3.2534  -3.747562      5.005700 
1 1 1 -9  -27 26 o 36.459  2.2437  184.147   21.655    198.996   31.465    170.785   29.849    37.879  3.1293  35.040  3.2163  2.839809       4.487470 
1 1 1 -9  -27 27 o 36.911  2.2852  189.814   22.362    192.064   31.979    187.661   31.282    37.119  3.2492  36.703  3.2144  0.4156227      4.570498 
1 1 1 -9  -27 28 o 12.092  3.2012  14.358    15.005    -0.7817   21.737    28.139    20.739    10.033  4.3562  14.151  4.6920  -4.117269      6.402447 
1 1 1 -9  -27 29 o 24.880  2.9439  91.921    18.539    70.129    26.689    112.240   25.771    21.633  4.7373  28.126  3.4962  -6.493616      5.887751 
1 1 1 -9  -27 30 o 34.441  2.3959  168.312   21.704    156.221   31.346    179.447   30.080    33.130  3.5898  35.753  3.1741  -2.622974      4.791865 
1 1 1 -9  -27 31 o 27.492  2.8082  112.170   19.554    91.255    28.772    130.120   26.655    24.714  4.5129  30.270  3.3434  -5.556538      5.616428 
1 1 1 -9  -27 32 o 14.183  3.3899  28.035    16.330    12.077    23.996    41.802    22.288    11.839  4.8180  16.526  4.7699  -4.687674      6.779723 
1 1 1 -9  -27 33 o 41.228  2.3421  241.972   25.629    234.692   36.416    249.117   36.076    40.559  3.3829  41.898  3.2399  -1.339142      4.684129 
1 1 1 -9  -27 34 o 29.472  2.7576  127.852   20.793    157.387   30.024    100.632   28.823    33.073  3.4396  25.870  4.3113  7.202660       5.515233 
1 1 1 -9  -27 35 o 30.162  2.7429  134.080   21.470    153.236   30.846    116.079   29.902    32.455  3.6095  27.869  4.1310  4.586042       5.485755 
1 1 1 -9  -27 36 o 13.031  3.1619  14.132    16.751    48.981    23.861    -19.7292  23.520    17.550  4.8925  8.5121  4.0067  9.038115       6.323770 
1 1 1 -9  -27 37 o 9.1488  2.9419  -9.2579   15.901    -16.5663  22.178    -1.5269   22.810    8.4198  3.9400  9.8778  4.3697  -1.457973      5.883724 
1 1 1 -9  -27 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -27 39 o 13.033  3.6165  22.834    18.424    22.696    25.787    22.978    26.331    12.991  5.0910  13.074  5.1380  -0.8315277E-01 7.233080 
1 1 1 -9  -27 40 o 14.271  3.7011  31.870    19.014    43.540    27.062    20.495    26.719    15.914  5.3612  12.628  5.1039  3.285741       7.402132 
1 1 1 -9  -27 41 o 24.104  3.6174  100.321   22.653    89.608    32.029    111.042   32.043    22.459  5.3924  25.749  4.8233  -3.289465      7.234843 
1 1 1 -9  -26 1  o 32.145  2.1272  142.296   18.062    153.723   25.749    131.229   25.341    33.456  2.9022  30.834  3.1109  2.622122       4.254498 
1 1 1 -9  -26 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -26 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -26 4  f 77.589  3.1796  821.243   66.079    821.243   66.079    0.0000    0.0000    77.589  3.1796  ?       ?       ?              ?        
1 1 1 -9  -26 5  o 50.651  2.8981  349.742   39.154    349.742   39.154    0.0000    0.0000    50.651  2.8981  ?       ?       ?              ?        
1 1 1 -9  -26 6  o 27.459  3.1792  103.996   22.950    0.0000    0.0000    103.996   22.950    ?       ?       27.459  3.1792  ?              ?        
1 1 1 -9  -26 7  o 24.526  3.3280  83.429    21.298    0.0000    0.0000    83.429    21.298    ?       ?       24.526  3.3280  ?              ?        
1 1 1 -9  -26 8  o 38.591  2.9126  203.237   29.884    0.0000    0.0000    203.237   29.884    ?       ?       38.591  2.9126  ?              ?        
1 1 1 -9  -26 9  o 44.052  2.6734  256.607   28.235    293.367   54.170    242.896   33.084    45.900  4.4626  42.204  2.9451  3.695717       5.346810 
1 1 1 -9  -26 10 o 81.860  2.2481  911.281   49.285    932.740   70.025    890.217   69.380    82.824  3.1565  80.896  3.2019  1.927643       4.496223 
1 1 1 -9  -26 11 o 50.990  2.0464  353.937   27.813    367.527   39.210    340.174   39.459    51.997  2.8259  49.983  2.9605  2.014389       4.092767 
1 1 1 -9  -26 12 o 18.542  2.8406  49.329    13.753    38.846    19.609    59.479    19.294    16.501  4.3682  20.583  3.6325  -4.082172      5.681213 
1 1 1 -9  -26 13 f 53.300  2.0511  386.419   29.168    387.655   40.971    385.148   41.535    53.394  2.8754  53.207  2.9257  0.1875687      4.102142 
1 1 1 -9  -26 14 o 33.281  2.1873  152.647   19.089    173.649   26.879    131.274   27.115    35.683  2.8357  30.879  3.3311  4.803825       4.374680 
1 1 1 -9  -26 15 o 89.282  2.3265  1085.33   55.634    1090.05   78.439    1080.56   78.920    89.485  3.2726  89.080  3.3077  0.4058533      4.653011 
1 1 1 -9  -26 16 o 20.860  2.8458  62.354    15.254    51.787    22.050    72.053    21.124    19.014  4.4144  22.707  3.5928  -3.693520      5.691651 
1 1 1 -9  -26 17 o 24.473  2.5840  83.544    16.410    87.420    23.467    79.834    22.957    25.053  3.6006  23.893  3.7073  1.159632       5.167973 
1 1 1 -9  -26 18 o 82.977  2.2714  937.870   50.467    950.081   70.803    925.258   71.954    83.547  3.1640  82.408  3.2598  1.139404       4.542842 
1 1 1 -9  -26 19 o 24.951  2.6586  87.581    16.959    69.903    23.700    106.130   24.277    22.198  4.1382  27.704  3.3389  -5.505297      5.317271 
1 1 1 -9  -26 20 o 53.316  2.0557  387.149   29.224    367.003   40.809    408.356   41.870    51.876  2.9491  54.757  2.8648  -2.880432      4.111487 
1 1 1 -9  -26 21 o 47.782  2.0630  311.645   26.268    313.923   36.791    309.276   37.517    47.973  2.8765  47.591  2.9578  0.3824043      4.125917 
1 1 1 -9  -26 22 o 19.445  3.0141  54.206    15.353    67.762    22.180    41.736    21.273    21.868  3.9314  17.022  4.5698  4.845785       6.028122 
1 1 1 -9  -26 23 o 37.140  2.1989  189.684   21.643    178.621   30.549    200.833   30.668    36.018  3.2000  38.263  3.0168  -2.245377      4.397838 
1 1 1 -9  -26 24 o 37.785  3.7765  198.794   37.709    0.0000    0.0000    198.794   37.709    ?       ?       37.785  3.7765  ?              ?        
1 1 1 -9  -26 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -26 26 o 44.603  4.5380  282.282   53.460    282.282   53.460    0.0000    0.0000    44.603  4.5380  ?       ?       ?              ?        
1 1 1 -9  -26 27 o 32.685  2.3510  149.566   20.108    130.995   28.770    167.300   28.115    30.574  3.5810  34.796  3.0473  -4.222015      4.702043 
1 1 1 -9  -26 28 o 38.081  2.2013  200.427   22.230    213.856   32.196    188.192   30.731    39.318  3.0819  36.845  3.1441  2.472862       4.402647 
1 1 1 -9  -26 29 o 47.631  2.1891  314.211   27.448    376.975   39.710    256.787   37.983    52.327  2.8439  42.936  3.3288  9.390854       4.378259 
1 1 1 -9  -26 30 o 38.266  2.3152  204.013   23.358    234.352   33.957    176.762   32.182    41.052  3.1113  35.479  3.4293  5.572941       4.630328 
1 1 1 -9  -26 31 o 18.951  3.2915  54.603    16.747    43.697    24.599    64.025    22.864    17.049  5.0373  20.853  4.2380  -3.803965      6.582962 
1 1 1 -9  -26 32 o 30.734  2.5105  134.426   20.266    142.169   29.096    127.131   28.244    31.631  3.4925  29.837  3.6073  1.793947       5.020977 
1 1 1 -9  -26 33 o 24.568  2.9150  90.020    18.263    75.594    26.560    102.958   25.153    22.385  4.5839  26.750  3.6021  -4.364647      5.829919 
1 1 1 -9  -26 34 o 12.179  3.1672  12.036    15.922    -14.1045  22.968    36.220    22.092    8.9066  4.1133  15.452  4.8172  -6.545340      6.334427 
1 1 1 -9  -26 35 o 16.243  3.5092  40.920    16.676    42.619    23.969    39.326    23.217    16.535  4.9926  15.950  4.9327  0.5854998      7.018342 
1 1 1 -9  -26 36 o 15.825  3.5913  39.042    17.252    39.318    24.465    38.768    24.331    15.873  5.0849  15.777  5.0727  0.9557343E-01  7.182528 
1 1 1 -9  -26 37 o 11.823  3.2954  12.184    16.380    28.110    23.175    -3.7164   23.156    13.881  4.9455  9.7663  4.3567  4.114228       6.590837 
1 1 1 -9  -26 38 o 15.726  3.6846  38.149    18.635    52.160    26.941    25.298    25.803    17.871  5.2692  13.581  5.1516  4.289504       7.369127 
1 1 1 -9  -26 39 o 35.518  2.7675  189.802   25.407    156.344   36.072    222.740   35.791    31.968  4.3237  39.069  3.4558  -7.101332      5.535090 
1 1 1 -9  -26 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -26 41 o 11.328  3.4171  8.9073    18.428    1.3008    25.380    17.388    26.799    10.380  4.5998  12.276  5.0546  -1.895985      6.834256 
1 1 1 -9  -26 42 o 24.724  3.6711  106.411   23.642    82.428    33.119    131.331   33.760    21.152  5.7118  28.296  4.6134  -7.143671      7.342175 
1 1 1 -9  -25 1  o 35.204  2.2901  166.269   21.042    147.805   27.087    194.371   33.417    32.810  3.1197  37.598  3.3535  -4.788166      4.580219 
1 1 1 -9  -25 2  o 54.020  2.8234  396.847   40.710    396.847   40.710    0.0000    0.0000    54.020  2.8234  ?       ?       ?              ?        
1 1 1 -9  -25 3  o 69.338  3.0213  652.821   56.112    652.821   56.112    0.0000    0.0000    69.338  3.0213  ?       ?       ?              ?        
1 1 1 -9  -25 4  o 27.867  3.1845  106.845   23.343    106.845   23.343    0.0000    0.0000    27.867  3.1845  ?       ?       ?              ?        
1 1 1 -9  -25 5  o 12.369  5.2205  3.6015    29.648    0.0000    0.0000    3.6015    29.648    ?       ?       12.369  5.2205  ?              ?        
1 1 1 -9  -25 6  o 45.987  2.7960  287.243   34.276    0.0000    0.0000    287.243   34.276    ?       ?       45.987  2.7960  ?              ?        
1 1 1 -9  -25 7  o 10.681  3.8656  13.032    14.220    0.0000    0.0000    13.032    14.220    ?       ?       10.681  3.8656  ?              ?        
1 1 1 -9  -25 8  o 64.627  2.9142  565.501   50.446    0.0000    0.0000    565.501   50.446    ?       ?       64.627  2.9142  ?              ?        
1 1 1 -9  -25 9  o 83.638  2.2457  948.744   50.299    974.968   71.547    923.118   70.727    84.789  3.1504  82.487  3.2012  2.302132       4.491391 
1 1 1 -9  -25 10 o 19.741  2.6633  55.083    13.486    75.047    19.598    37.126    18.586    23.308  3.2256  16.174  4.2389  7.133675       5.326599 
1 1 1 -9  -25 11 o 48.754  1.9884  323.183   25.792    345.312   36.249    300.495   36.704    50.480  2.6907  47.028  2.9284  3.451393       3.976840 
1 1 1 -9  -25 12 o 48.881  2.0160  324.217   26.276    315.547   36.857    333.177   37.470    48.210  2.8671  49.551  2.8350  -1.340458      4.032085 
1 1 1 -9  -25 13 o 70.684  2.1120  676.412   39.967    649.140   56.054    704.614   57.003    69.225  3.0231  72.142  2.9500  -2.916794      4.223916 
1 1 1 -9  -25 14 o 101.843 2.4606  1410.30   67.122    1399.82   94.719    1420.86   95.131    101.461 3.4854  102.225 3.4743  -0.7644577     4.921281 
1 1 1 -9  -25 15 o 70.334  2.1025  669.824   39.600    649.320   55.551    691.009   56.466    69.234  2.9956  71.434  2.9512  -2.199905      4.205080 
1 1 1 -9  -25 16 o 15.252  3.0624  32.579    13.121    36.634    19.031    28.905    18.115    16.071  4.3256  14.433  4.3363  1.637623       6.124876 
1 1 1 -9  -25 17 o 20.680  2.7248  60.174    14.536    62.028    20.670    58.359    20.447    21.011  3.8132  20.349  3.8934  0.6628609      5.449697 
1 1 1 -9  -25 18 o 28.875  2.3095  114.787   17.405    98.590    24.268    131.944   24.977    26.701  3.4757  31.050  3.0423  -4.349422      4.619092 
1 1 1 -9  -25 19 o 54.268  2.0255  400.351   29.308    409.671   40.878    390.493   42.043    54.941  2.7869  53.596  2.9399  1.344837       4.050934 
1 1 1 -9  -25 20 o 43.859  2.0408  261.718   23.787    239.470   33.211    285.153   34.085    41.915  2.9775  45.802  2.7917  -3.887276      4.081564 
1 1 1 -9  -25 21 o 67.856  2.0981  624.853   38.131    623.791   53.605    625.941   54.252    67.802  2.9517  67.910  2.9826  -0.1074600     4.196267 
1 1 1 -9  -25 22 o 61.427  2.0699  512.287   34.049    520.653   47.970    503.792   48.336    61.942  2.8913  60.911  2.9627  1.031155       4.139716 
1 1 1 -9  -25 23 o 73.513  2.1410  734.920   42.145    713.826   59.528    756.120   59.676    72.441  3.0679  74.586  2.9872  -2.145157      4.281985 
1 1 1 -9  -25 24 o 93.173  2.4014  1186.35   59.926    1169.76   84.642    1203.03   84.855    92.509  3.4159  93.837  3.3761  -1.328270      4.802769 
1 1 1 -9  -25 25 o 82.711  2.2456  933.677   49.727    968.644   70.585    899.220   70.067    84.272  3.1271  81.150  3.2236  3.122131       4.491103 
1 1 1 -9  -25 26 o 57.275  2.0814  447.966   31.817    459.967   45.491    436.474   44.516    58.030  2.9363  56.519  2.9508  1.510532       4.162844 
1 1 1 -9  -25 27 f 21.389  3.5607  70.115    18.909    56.199    35.000    75.851    22.471    19.599  6.0557  23.178  3.7475  -3.578342      7.121421 
1 1 1 -9  -25 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -25 29 o 24.672  2.7726  86.435    17.663    95.804    25.536    77.841    24.457    26.029  3.7728  23.316  4.0640  2.713495       5.545290 
1 1 1 -9  -25 30 o 53.586  2.1163  395.418   30.243    400.217   43.448    390.908   42.123    53.887  3.0224  53.284  2.9631  0.6030960      4.232616 
1 1 1 -9  -25 31 o 28.199  2.6360  113.231   19.314    106.750   28.150    118.995   26.550    27.324  3.9619  29.075  3.4782  -1.751554      5.272069 
1 1 1 -9  -25 32 o 15.464  3.2553  33.492    15.590    52.296    22.336    15.631    21.770    18.760  4.5025  12.168  4.7027  6.591785       6.510551 
1 1 1 -9  -25 33 o 12.819  3.3612  20.046    15.433    24.040    21.757    16.002    21.893    13.449  4.7919  12.190  4.7146  1.259196       6.722307 
1 1 1 -9  -25 34 o 44.362  2.2515  276.354   26.503    301.701   37.896    252.087   37.080    46.437  3.0640  42.286  3.2999  4.150337       4.503053 
1 1 1 -9  -25 35 o 33.768  2.4610  162.914   21.903    174.564   31.370    151.832   30.596    35.010  3.3877  32.526  3.5708  2.484383       4.922057 
1 1 1 -9  -25 36 o 15.533  3.5011  36.538    16.591    29.333    23.096    44.222    23.849    14.217  4.9478  16.848  4.9549  -2.630749      7.002238 
1 1 1 -9  -25 37 o 20.066  3.4444  63.388    18.470    74.620    26.285    52.432    25.959    21.992  4.6097  18.141  5.1193  3.850832       6.888859 
1 1 1 -9  -25 38 o 23.587  3.3430  87.838    20.410    59.621    28.551    117.330   29.188    19.117  5.3597  28.058  3.9968  -8.941347      6.685908 
1 1 1 -9  -25 39 o 10.493  3.2041  2.2217    16.509    -4.6445   22.267    10.604    24.603    9.4636  4.2433  11.522  4.8021  -2.058521      6.408247 
1 1 1 -9  -25 40 o 32.432  2.9503  161.318   24.351    128.003   34.799    193.280   34.086    28.569  4.7120  36.296  3.5516  -7.727314      5.900555 
1 1 1 -9  -25 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -25 42 o 12.155  3.2831  10.369    18.119    42.032    24.894    -25.3026  26.423    15.754  5.1367  8.5565  4.0902  7.197559       6.566179 
1 1 1 -9  -25 43 f 16.408  3.9164  47.705    21.293    30.040    29.241    67.649    31.069    13.726  5.4080  19.090  5.6662  -5.363256      7.832753 
1 1 1 -9  -24 1  o 12.764  4.0753  21.918    15.725    21.918    15.725    0.0000    0.0000    12.764  4.0753  ?       ?       ?              ?        
1 1 1 -9  -24 2  o 27.795  3.0328  105.884   22.212    105.884   22.212    0.0000    0.0000    27.795  3.0328  ?       ?       ?              ?        
1 1 1 -9  -24 3  o 40.617  2.8028  224.113   30.305    224.113   30.305    0.0000    0.0000    40.617  2.8028  ?       ?       ?              ?        
1 1 1 -9  -24 4  o 19.306  5.9288  52.340    33.608    0.0000    0.0000    52.340    33.608    ?       ?       19.306  5.9288  ?              ?        
1 1 1 -9  -24 5  o 41.707  2.7602  236.012   30.660    0.0000    0.0000    236.012   30.660    ?       ?       41.707  2.7602  ?              ?        
1 1 1 -9  -24 6  o 37.440  2.7995  190.422   27.872    0.0000    0.0000    190.422   27.872    ?       ?       37.440  2.7995  ?              ?        
1 1 1 -9  -24 7  o 23.846  3.1066  78.223    19.372    0.0000    0.0000    78.223    19.372    ?       ?       23.846  3.1066  ?              ?        
1 1 1 -9  -24 8  o 37.802  1.9874  194.217   19.959    186.833   28.411    201.411   28.046    37.074  2.8838  38.529  2.7354  -1.455009      3.974749 
1 1 1 -9  -24 9  o 40.876  1.9796  226.637   21.538    219.985   30.246    233.481   30.677    40.261  2.8226  41.492  2.7764  -1.230766      3.959191 
1 1 1 -9  -24 10 o 110.498 2.5703  1658.12   76.069    1674.23   107.854   1642.17   107.305   111.036 3.6265  109.961 3.6433  1.075317       5.140511 
1 1 1 -9  -24 11 o 18.680  2.8604  50.182    14.050    33.682    20.033    66.156    19.711    15.536  4.5333  21.824  3.4895  -6.288391      5.720775 
1 1 1 -9  -24 12 o 66.585  2.0525  599.841   36.553    629.494   51.329    569.331   52.066    68.276  2.8068  64.894  2.9954  3.381813       4.104964 
1 1 1 -9  -24 13 o 62.770  2.0262  532.645   34.042    547.787   47.735    516.975   48.561    63.691  2.7981  61.849  2.9313  1.841999       4.052416 
1 1 1 -9  -24 14 o 38.725  2.0480  203.672   21.017    182.855   29.296    225.745   30.167    36.654  3.0106  40.796  2.7773  -4.142460      4.095983 
1 1 1 -9  -24 15 o 45.545  1.9713  281.443   23.908    289.584   33.390    272.879   34.247    46.239  2.7078  44.851  2.8658  1.388477       3.942665 
1 1 1 -9  -24 16 o 58.104  1.9887  456.275   30.935    463.987   43.334    448.261   44.176    58.614  2.7602  57.593  2.8637  1.020290       3.977333 
1 1 1 -9  -24 17 o 113.851 2.5972  1762.64   79.194    1776.62   111.496   1748.41   112.504   114.321 3.6412  113.381 3.7046  0.9407349      5.194453 
1 1 1 -9  -24 18 o 15.069  2.8004  30.225    12.971    7.7263    18.143    53.747    18.551    10.564  4.2281  19.574  3.6732  -9.010108      5.600860 
1 1 1 -9  -24 19 o 60.183  2.0090  489.428   32.367    466.667   45.166    513.457   46.406    58.739  2.8707  61.626  2.8114  -2.886822      4.018080 
1 1 1 -9  -24 20 o 38.717  2.0421  204.528   20.948    220.651   29.381    187.859   29.875    40.312  2.7373  37.121  3.0311  3.190521       4.084191 
1 1 1 -9  -24 21 o 66.131  2.0500  592.206   36.304    602.033   51.121    582.206   51.566    66.694  2.8617  65.568  2.9362  1.125595       4.100022 
1 1 1 -9  -24 22 o 68.526  2.0816  636.297   38.177    603.765   53.675    669.606   54.312    66.737  3.0027  70.315  2.8837  -3.577698      4.163188 
1 1 1 -9  -24 23 o 91.410  2.3248  1136.25   56.919    1124.49   80.450    1148.04   80.540    90.930  3.3032  91.890  3.2723  -0.9604721     4.649648 
1 1 1 -9  -24 24 o 50.393  2.0222  345.442   27.174    339.449   38.712    351.263   38.153    49.948  2.9062  50.838  2.8128  -0.8896751     4.044497 
1 1 1 -9  -24 25 o 31.156  2.2153  133.915   18.121    120.345   25.916    146.897   25.348    29.539  3.3340  32.773  2.9182  -3.234072      4.430681 
1 1 1 -9  -24 26 o 34.934  2.2079  167.354   20.399    168.337   29.845    166.493   27.945    35.005  3.2192  34.863  3.0225  0.1421165      4.415740 
1 1 1 -9  -24 27 o 88.776  2.3508  1076.86   55.869    1124.42   79.505    1030.47   78.526    90.740  3.2712  86.812  3.3771  3.928497       4.701664 
1 1 1 -9  -24 28 o 23.163  2.7650  75.370    16.483    81.930    24.662    70.075    22.158    24.073  3.9628  22.254  3.8571  1.818470       5.530038 
1 1 1 -9  -24 29 o 49.187  2.0836  331.686   27.257    324.359   39.675    338.234   37.510    48.627  3.0618  49.746  2.8268  -1.118839      4.167214 
1 1 1 -9  -24 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -24 31 f 20.800  3.0628  62.830    16.507    63.028    23.544    62.638    23.151    20.823  4.3610  20.776  4.3018  0.4676628E-01  6.125681 
1 1 1 -9  -24 32 o 13.503  3.0833  21.606    14.684    -1.2162   21.105    43.023    20.444    9.8904  4.2932  17.115  4.4266  -7.224336      6.166545 
1 1 1 -9  -24 33 o 14.666  3.0170  25.682    15.179    56.799    21.988    -2.6507   20.981    19.661  4.2954  9.6712  4.2376  9.989634       6.033917 
1 1 1 -9  -24 34 o 33.634  2.3877  159.392   21.096    179.228   30.193    140.470   29.489    35.788  3.1830  31.480  3.5599  4.307827       4.775427 
1 1 1 -9  -24 35 o 13.918  3.4781  26.243    16.287    21.197    22.828    31.473    23.244    13.059  4.8684  14.777  4.9686  -1.718853      6.956172 
1 1 1 -9  -24 36 o 27.066  2.9177  107.816   20.452    106.555   29.610    108.968   28.283    26.833  4.2624  27.299  3.9856  -0.4652214     5.835444 
1 1 1 -9  -24 37 o 30.960  2.6381  139.294   21.409    146.176   30.321    132.451   30.233    31.797  3.6249  30.124  3.8339  1.673639       5.276240 
1 1 1 -9  -24 38 o 11.236  3.2871  9.2552    16.283    3.4217    23.330    14.796    22.737    10.580  4.5532  11.891  4.7422  -1.310973      6.574178 
1 1 1 -9  -24 39 o 27.012  3.0746  110.985   21.407    99.750    30.163    122.387   30.386    25.426  4.5982  28.597  4.0829  -3.171307      6.149290 
1 1 1 -9  -24 40 o 34.406  2.7688  175.970   25.055    180.145   35.496    171.825   35.371    34.857  3.8671  33.955  3.9637  0.9017868      5.537687 
1 1 1 -9  -24 41 o 30.165  3.1197  140.771   24.233    157.471   34.018    123.564   34.529    32.341  4.0133  27.988  4.7775  4.352720       6.239418 
1 1 1 -9  -24 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -24 43 o 13.352  3.6918  25.735    19.421    33.042    26.911    17.792    28.057    14.292  5.2943  12.411  5.1466  1.880816       7.383574 
1 1 1 -9  -24 44 o 23.231  3.8635  97.376    24.225    69.300    33.379    128.626   35.215    18.955  5.9231  27.508  4.9620  -8.552742      7.726930 
1 1 1 -9  -23 1  o 69.326  2.9233  649.837   54.282    649.837   54.282    0.0000    0.0000    69.326  2.9233  ?       ?       ?              ?        
1 1 1 -9  -23 2  f 73.181  3.0091  724.250   58.983    724.250   58.983    0.0000    0.0000    73.181  3.0091  ?       ?       ?              ?        
1 1 1 -9  -23 3  o 58.577  4.3420  470.947   67.640    0.0000    0.0000    470.947   67.640    ?       ?       58.577  4.3420  ?              ?        
1 1 1 -9  -23 4  o 13.287  3.7551  24.614    13.956    0.0000    0.0000    24.614    13.956    ?       ?       13.287  3.7551  ?              ?        
1 1 1 -9  -23 5  o 77.088  3.0301  802.895   62.564    0.0000    0.0000    802.895   62.564    ?       ?       77.088  3.0301  ?              ?        
1 1 1 -9  -23 6  o 44.664  2.7268  269.992   32.465    0.0000    0.0000    269.992   32.465    ?       ?       44.664  2.7268  ?              ?        
1 1 1 -9  -23 7  o 11.470  2.6993  16.152    9.5673    21.173    15.296    12.926    12.262    12.603  4.0189  10.337  3.6047  2.266436       5.398660 
1 1 1 -9  -23 8  o 23.167  2.3128  74.039    13.911    67.969    19.625    80.171    19.723    22.165  3.4153  24.169  3.1196  -2.003893      4.625551 
1 1 1 -9  -23 9  o 61.556  1.9886  511.678   32.717    549.206   46.219    473.987   46.319    63.838  2.7031  59.275  2.9174  4.563007       3.977200 
1 1 1 -9  -23 10 o 107.479 2.5024  1563.49   72.040    1568.43   101.959   1558.58   101.800   107.649 3.5361  107.309 3.5418  0.3403549      5.004824 
1 1 1 -9  -23 11 o 44.147  1.9705  263.815   23.171    266.433   32.383    261.070   33.167    44.380  2.7375  43.914  2.8349  0.4663773      3.940949 
1 1 1 -9  -23 12 o 30.568  2.1057  127.184   17.017    125.073   23.740    129.414   24.406    30.307  2.9623  30.828  2.9935  -0.5210342     4.211405 
1 1 1 -9  -23 13 o 50.892  1.9595  350.478   26.582    362.044   37.203    338.415   37.995    51.767  2.6924  50.018  2.8478  1.748779       3.919064 
1 1 1 -9  -23 14 o 16.784  2.8929  40.224    13.074    29.903    18.929    49.637    18.078    14.746  4.4333  18.822  3.7178  -4.075762      5.785836 
1 1 1 -9  -23 15 o 37.310  2.0373  188.670   20.064    161.641   27.765    218.210   29.025    34.473  3.0380  40.146  2.7152  -5.673985      4.074568 
1 1 1 -9  -23 16 o 84.899  2.1974  973.412   49.961    960.849   69.928    986.513   71.406    84.342  3.0954  85.456  3.1197  -1.113258      4.394745 
1 1 1 -9  -23 17 o 67.335  2.0277  611.778   36.558    610.042   51.007    613.611   52.423    67.243  2.8320  67.427  2.9027  -0.1838455     4.055337 
1 1 1 -9  -23 18 o 42.535  1.9771  244.922   22.322    219.080   31.019    272.678   32.148    40.182  2.9017  44.889  2.6861  -4.707283      3.954122 
1 1 1 -9  -23 19 o 58.020  1.9606  454.221   30.465    444.036   42.789    464.692   43.385    57.358  2.7851  58.681  2.7603  -1.322956      3.921230 
1 1 1 -9  -23 20 f 77.824  2.1191  818.798   44.171    818.923   62.161    818.669   62.778    77.834  2.9817  77.814  3.0120  0.1946259E-01  4.238225 
1 1 1 -9  -23 21 o 53.427  1.9474  386.170   27.796    370.045   39.273    402.354   39.345    52.262  2.8160  54.593  2.6907  -2.331272      3.894795 
1 1 1 -9  -23 22 o 33.804  2.0574  155.765   18.408    167.421   26.154    144.320   25.915    35.086  2.8064  32.521  3.0092  2.565689       4.114783 
1 1 1 -9  -23 23 o 10.492  2.8217  9.0051    11.348    17.825    16.532    1.1464    15.606    12.024  4.1861  8.9592  3.7848  3.064865       5.643373 
1 1 1 -9  -23 24 f 38.330  1.9919  199.895   20.297    197.803   29.060    201.889   28.363    38.123  2.8669  38.538  2.7661  -0.4149132     3.983786 
1 1 1 -9  -23 25 o 54.675  2.0060  405.833   29.265    406.856   41.995    404.867   40.805    54.732  2.8747  54.618  2.7986  0.1144218      4.011980 
1 1 1 -9  -23 26 o 42.304  2.0692  246.280   23.004    207.014   32.958    283.580   32.123    38.900  3.1913  45.709  2.6349  -6.808464      4.138497 
1 1 1 -9  -23 27 o 50.719  2.0219  349.753   27.342    358.519   39.421    341.626   37.955    51.327  2.8791  50.110  2.8395  1.216476       4.043772 
1 1 1 -9  -23 28 f 63.245  2.0781  543.912   35.176    533.679   50.421    553.615   49.099    62.644  3.0050  63.846  2.8711  -1.201672      4.156102 
1 1 1 -9  -23 29 o 23.183  2.8162  75.729    16.804    86.356    24.497    66.284    23.094    24.796  3.8104  21.570  4.1479  3.226427       5.632421 
1 1 1 -9  -23 30 o 32.254  2.3081  143.519   19.634    154.352   28.286    133.447   27.275    33.458  3.1952  31.049  3.3316  2.408516       4.616193 
1 1 1 -9  -23 31 o 34.735  2.3005  166.822   21.143    166.175   30.341    167.432   29.478    34.651  3.3094  34.820  3.1964  -0.1692238     4.600986 
1 1 1 -9  -23 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -23 33 o 19.438  3.1618  55.448    16.175    47.556    22.730    63.544    23.022    17.961  4.6782  20.914  4.2545  -2.952902      6.323533 
1 1 1 -9  -23 34 o 16.870  3.3964  42.142    16.245    49.063    22.773    34.973    23.180    18.179  4.6563  15.562  4.9457  2.617286       6.792731 
1 1 1 -9  -23 35 o 25.322  2.8919  92.808    18.886    103.595   27.229    82.808    26.218    26.849  3.9005  23.794  4.2707  3.054567       5.783805 
1 1 1 -9  -23 36 o 24.862  3.1047  91.721    19.764    73.993    27.656    110.227   28.256    22.123  4.8047  27.601  3.9334  -5.477091      6.209394 
1 1 1 -9  -23 37 o 16.552  3.3913  41.602    16.812    57.817    23.396    24.290    24.174    19.508  4.5593  13.596  5.0215  5.911869       6.782554 
1 1 1 -9  -23 38 o 37.389  2.5372  201.415   25.044    215.556   35.551    187.486   35.284    38.794  3.4576  35.985  3.7141  2.809105       5.074456 
1 1 1 -9  -23 39 f 16.844  3.7681  44.900    19.066    40.314    26.253    50.017    27.734    16.049  5.2770  17.639  5.3804  -1.589275      7.536297 
1 1 1 -9  -23 40 o 13.448  3.6029  22.740    18.269    11.640    25.120    35.205    26.619    11.755  4.8718  15.142  5.3094  -3.386911      7.205820 
1 1 1 -9  -23 41 f 18.228  3.7290  54.720    19.709    67.370    27.572    41.503    28.184    20.399  5.0686  16.057  5.4709  4.342381       7.457964 
1 1 1 -9  -23 42 o 23.817  3.7731  93.655    23.492    85.150    32.626    102.811   33.853    22.551  5.4598  25.083  5.2092  -2.532440      7.546200 
1 1 1 -9  -23 43 o 16.995  5.7926  50.454    31.597    50.454    31.597    0.0000    0.0000    16.995  5.7926  ?       ?       ?              ?        
1 1 1 -9  -23 44 o 11.246  3.3681  6.1394    19.151    25.667    25.472    -19.2507  29.045    13.133  5.0837  9.3589  4.4195  3.773968       6.736139 
1 1 1 -9  -23 45 o 8.4760  2.8265  -24.5126  18.024    0.9080    23.714    -59.2904  27.737    9.8371  4.3971  7.1149  3.5527  2.722204       5.652993 
1 1 1 -9  -22 1  o 46.332  2.7422  290.499   33.880    290.499   33.880    0.0000    0.0000    46.332  2.7422  ?       ?       ?              ?        
1 1 1 -9  -22 2  o 122.348 3.8968  2031.47   127.702   2031.47   127.702   0.0000    0.0000    122.348 3.8968  ?       ?       ?              ?        
1 1 1 -9  -22 3  f 72.619  2.9548  711.374   57.473    0.0000    0.0000    711.374   57.473    ?       ?       72.619  2.9548  ?              ?        
1 1 1 -9  -22 4  o 93.610  3.2915  1183.55   82.528    0.0000    0.0000    1183.55   82.528    ?       ?       93.610  3.2915  ?              ?        
1 1 1 -9  -22 5  o 66.890  2.8556  602.868   51.163    0.0000    0.0000    602.868   51.163    ?       ?       66.890  2.8556  ?              ?        
1 1 1 -9  -22 6  o 68.773  2.0513  637.512   37.770    621.691   53.734    652.963   53.101    67.922  2.9536  69.625  2.8474  -1.702499      4.102622 
1 1 1 -9  -22 7  o 41.881  1.9525  237.161   21.778    240.964   30.783    233.350   30.815    42.222  2.7367  41.540  2.7857  0.6823463      3.905047 
1 1 1 -9  -22 8  o 31.882  2.0230  137.996   17.081    132.474   24.135    143.536   24.176    31.229  2.9193  32.535  2.8016  -1.305883      4.046095 
1 1 1 -9  -22 9  o 58.577  2.0043  462.539   31.337    428.233   43.927    498.092   44.718    56.317  2.9221  60.837  2.7442  -4.520016      4.008643 
1 1 1 -9  -22 10 o 67.868  2.0335  619.999   36.954    598.708   51.910    641.874   52.617    66.683  2.9063  69.053  2.8448  -2.369789      4.066928 
1 1 1 -9  -22 11 o 121.830 2.6871  2005.82   87.682    1988.87   123.836   2022.86   124.167   121.311 3.8112  122.349 3.7889  -1.038635      5.374115 
1 1 1 -9  -22 12 o 64.135  1.9999  553.615   34.351    551.586   48.173    555.714   48.998    64.018  2.8094  64.253  2.8470  -0.2348709     3.999786 
1 1 1 -9  -22 13 o 26.670  2.3005  97.481    15.841    78.529    21.945    118.100   22.890    23.868  3.5400  29.471  2.9389  -5.603481      4.600982 
1 1 1 -9  -22 14 o 62.571  1.9744  527.013   33.076    528.541   46.143    525.398   47.436    62.669  2.7489  62.473  2.8348  0.1962395      3.948756 
1 1 1 -9  -22 15 o 137.059 2.9321  2544.53   107.633   2561.05   151.761   2527.80   152.677   137.516 4.1202  136.601 4.1728  0.9150391      5.864148 
1 1 1 -9  -22 16 o 101.790 2.3804  1398.24   64.897    1382.85   91.210    1414.01   92.358    101.223 3.3641  102.356 3.3687  -1.133125      4.760848 
1 1 1 -9  -22 17 o 70.835  2.0271  675.606   38.436    642.959   53.779    709.695   54.953    69.081  2.9065  72.589  2.8264  -3.508415      4.054144 
1 1 1 -9  -22 18 o 68.647  2.0185  634.796   37.066    592.067   51.880    679.351   52.977    66.278  2.9224  71.016  2.7851  -4.738243      4.036986 
1 1 1 -9  -22 19 o 40.932  1.9496  226.695   21.247    223.919   29.749    229.585   30.357    40.677  2.7465  41.188  2.7677  -0.5104332     3.899204 
1 1 1 -9  -22 20 o 77.384  2.1234  808.179   44.000    785.293   62.149    831.178   62.303    76.277  3.0419  78.490  2.9635  -2.212349      4.246846 
1 1 1 -9  -22 21 o 53.106  1.9416  381.281   27.452    340.995   38.514    422.888   39.140    50.192  2.8768  56.021  2.6084  -5.829437      3.883281 
1 1 1 -9  -22 22 o 88.460  2.2370  1058.15   53.003    1058.05   75.019    1058.24   74.895    88.455  3.1664  88.464  3.1608  -0.9613037E-02 4.473982 
1 1 1 -9  -22 23 o 31.197  2.0854  132.840   17.176    122.861   24.271    142.852   24.310    29.990  3.0645  32.404  2.8293  -2.414085      4.170870 
1 1 1 -9  -22 24 o 37.933  1.9969  195.121   20.124    205.983   29.169    185.254   27.801    38.946  2.8152  36.920  2.8329  2.025639       3.993782 
1 1 1 -9  -22 25 o 50.694  1.9601  348.410   26.505    347.483   37.922    349.297   37.060    50.620  2.8079  50.769  2.7355  -0.1483498     3.920108 
1 1 1 -9  -22 26 o 64.268  2.0417  559.283   35.131    554.982   50.333    563.368   49.056    64.016  2.9355  64.521  2.8386  -0.5050964     4.083460 
1 1 1 -9  -22 27 o 46.631  2.0122  295.881   24.971    288.812   36.101    302.365   34.576    46.071  2.9408  47.190  2.7474  -1.119072      4.024500 
1 1 1 -9  -22 28 o 72.320  2.1239  709.478   41.118    743.936   58.880    676.678   57.445    74.044  2.9689  70.596  3.0380  3.448036       4.247758 
1 1 1 -9  -22 29 o 27.852  2.2878  106.889   16.740    110.197   24.183    103.846   23.196    28.266  3.2535  27.439  3.2173  0.8279247      4.575639 
1 1 1 -9  -22 30 o 44.953  2.0743  275.774   24.830    279.492   35.696    272.289   34.561    45.239  2.9622  44.667  2.9046  0.5726433      4.148646 
1 1 1 -9  -22 31 o 86.750  2.3136  1029.50   53.728    997.367   76.298    1061.11   75.673    85.370  3.3367  88.129  3.2058  -2.758430      4.627147 
1 1 1 -9  -22 32 o 19.544  3.1443  55.438    16.091    52.236    23.172    58.420    22.363    18.953  4.6089  20.136  4.2784  -1.182354      6.288636 
1 1 1 -9  -22 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -22 34 o 33.170  2.4837  155.585   21.295    125.235   30.261    185.359   29.972    29.739  3.8924  36.601  3.0861  -6.861826      4.967367 
1 1 1 -9  -22 35 o 15.786  3.4001  35.113    16.513    51.303    23.568    19.499    23.144    18.580  4.7249  12.992  4.8905  5.588489       6.800138 
1 1 1 -9  -22 36 o 14.380  3.5211  27.314    16.977    16.754    23.620    38.599    24.418    12.589  4.8892  16.171  5.0683  -3.582105      7.042150 
1 1 1 -9  -22 37 o 26.861  2.9640  105.658   20.551    95.319    28.981    116.115   29.145    25.390  4.4221  28.331  3.9480  -2.940910      5.928079 
1 1 1 -9  -22 38 o 24.764  3.2708  93.076    20.799    76.829    29.434    109.280   29.396    22.288  5.0478  27.239  4.1610  -4.951897      6.541687 
1 1 1 -9  -22 39 o 9.8221  3.0152  -0.2949   14.792    -5.9634   20.167    6.3047    21.761    8.9696  4.0289  10.675  4.4872  -1.704977      6.030472 
1 1 1 -9  -22 40 o 25.871  3.3371  104.174   22.134    117.080   30.690    90.186    31.951    27.916  4.2376  23.826  5.1563  4.089708       6.674189 
1 1 1 -9  -22 41 o 13.590  3.4200  15.033    18.701    -16.4285  25.205    53.563    27.893    9.0965  4.2379  18.084  5.3690  -8.987376      6.840064 
1 1 1 -9  -22 42 o 13.349  3.7047  22.791    19.283    20.008    26.105    26.133    28.605    12.839  5.0935  13.859  5.3810  -1.019347      7.409368 
1 1 1 -9  -22 43 f 16.234  7.2069  30.633    62.578    0.0000    0.0000    30.633    62.578    ?       ?       16.234  7.2069  ?              ?        
1 1 1 -9  -22 44 o 15.655  4.0246  41.419    21.783    39.445    29.685    43.722    32.063    15.358  5.5812  15.951  5.7999  -0.5927649     8.049136 
1 1 1 -9  -22 45 o 18.194  4.0836  61.920    22.959    75.264    32.011    47.786    32.946    20.273  5.6722  16.116  5.8762  4.156940       8.167252 
1 1 1 -9  -21 1  o 17.547  3.6759  43.168    16.723    43.168    16.723    0.0000    0.0000    17.547  3.6759  ?       ?       ?              ?        
1 1 1 -9  -21 2  o 43.898  2.7096  260.307   31.704    0.0000    0.0000    260.307   31.704    ?       ?       43.898  2.7096  ?              ?        
1 1 1 -9  -21 3  o 22.550  3.1975  69.869    18.772    0.0000    0.0000    69.869    18.772    ?       ?       22.550  3.1975  ?              ?        
1 1 1 -9  -21 4  o 26.467  2.8207  95.296    19.688    0.0000    0.0000    95.296    19.688    ?       ?       26.467  2.8207  ?              ?        
1 1 1 -9  -21 5  o 19.079  5.7171  50.174    31.518    0.0000    0.0000    50.174    31.518    ?       ?       19.079  5.7171  ?              ?        
1 1 1 -9  -21 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 17 o 67.611  3.8600  619.065   69.612    619.065   69.612    0.0000    0.0000    67.611  3.8600  ?       ?       ?              ?        
1 1 1 -9  -21 18 o 82.603  2.1344  918.543   47.154    854.180   66.111    985.195   67.276    79.646  3.0990  85.560  2.9356  -5.914124      4.268706 
1 1 1 -9  -21 19 o 94.360  2.2778  1200.13   57.561    1217.27   81.113    1182.74   81.696    95.045  3.1862  93.675  3.2560  1.370285       4.555615 
1 1 1 -9  -21 20 o 118.933 2.6233  1911.63   83.557    1946.00   118.050   1877.11   118.286   120.016 3.6723  117.851 3.7472  2.164757       5.246674 
1 1 1 -9  -21 21 o 68.834  2.0341  638.518   37.484    616.499   53.077    660.426   52.944    67.642  2.9295  70.026  2.8227  -2.383514      4.068171 
1 1 1 -9  -21 22 o 29.486  2.1727  118.883   16.772    135.508   23.882    102.702   23.561    31.583  2.8539  27.388  3.2767  4.194916       4.345308 
1 1 1 -9  -21 23 o 33.166  2.0224  149.337   17.785    153.526   25.495    145.366   24.823    33.623  2.8581  32.710  2.8620  0.9127464      4.044736 
1 1 1 -9  -21 24 f 29.212  2.1763  116.010   16.725    127.867   24.543    105.730   22.852    30.623  3.0321  27.802  3.1228  2.820877       4.352636 
1 1 1 -9  -21 25 o 18.076  2.8496  45.695    13.403    52.034    20.128    40.645    17.966    19.203  4.0411  16.949  4.0186  2.254435       5.699120 
1 1 1 -9  -21 26 o 24.638  2.4311  84.180    15.542    78.853    22.439    89.091    21.547    23.830  3.6303  25.446  3.2344  -1.616337      4.862169 
1 1 1 -9  -21 27 o 59.852  2.0019  484.940   32.057    471.734   46.027    497.380   44.673    59.043  2.9104  60.661  2.7495  -1.617321      4.003766 
1 1 1 -9  -21 28 o 28.494  2.2345  111.332   16.750    114.611   24.354    108.388   23.074    28.887  3.2014  28.101  3.1182  0.7862072      4.469036 
1 1 1 -9  -21 29 o 21.672  2.7082  66.272    15.100    61.541    21.830    70.612    20.908    20.855  4.0541  22.490  3.5918  -1.635063      5.416310 
1 1 1 -9  -21 30 o 9.1137  2.7871  -1.6699   12.496    -3.0444   17.839    -0.3456   17.510    8.9887  3.9238  9.2387  3.9594  -0.2499743     5.574293 
1 1 1 -9  -21 31 o 48.208  2.0905  316.747   26.816    343.048   38.550    292.090   37.327    50.174  2.8806  46.242  3.0304  3.932339       4.181080 
1 1 1 -9  -21 32 o 14.028  3.0985  24.406    14.284    6.1894    19.941    43.605    20.471    10.660  4.3712  17.396  4.3927  -6.736152      6.196984 
1 1 1 -9  -21 33 o 32.450  2.3797  145.638   20.356    155.501   29.384    136.537   28.228    33.530  3.3152  31.369  3.4148  2.161531       4.759305 
1 1 1 -9  -21 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 35 o 40.713  2.3782  230.350   25.700    226.667   36.266    234.064   36.424    40.375  3.3847  41.052  3.3416  -0.6764679     4.756329 
1 1 1 -9  -21 36 o 15.014  3.3895  31.168    16.187    45.206    22.759    16.795    23.028    17.456  4.7436  12.571  4.8428  4.885183       6.778993 
1 1 1 -9  -21 37 o 39.097  2.4994  216.675   25.510    256.859   36.317    177.533   35.842    42.904  3.1829  35.291  3.8545  7.613056       4.998800 
1 1 1 -9  -21 38 o 30.029  2.8423  130.998   22.210    139.176   31.072    122.455   31.759    31.116  3.8076  28.942  4.2211  2.173807       5.684663 
1 1 1 -9  -21 39 o 15.389  3.5555  34.139    18.304    52.239    25.096    13.567    26.755    18.347  4.9795  12.431  5.0765  5.915707       7.111004 
1 1 1 -9  -21 40 o 11.584  3.3893  9.8552    17.068    5.7064    22.745    15.203    25.823    10.765  4.5596  12.403  5.0159  -1.637671      6.778584 
1 1 1 -9  -21 41 f 20.383  3.7579  67.930    21.039    80.471    29.236    54.461    30.299    22.560  4.9723  18.206  5.6358  4.353855       7.515723 
1 1 1 -9  -21 42 o 11.279  3.3077  3.5534    17.459    -14.8877  23.525    26.161    26.048    8.8451  4.1119  13.714  5.1823  -4.868579      6.615405 
1 1 1 -9  -21 43 o 11.454  3.3479  5.7783    18.497    26.729    24.886    -20.0828  27.648    13.636  5.0832  9.2726  4.3581  4.363839       6.695725 
1 1 1 -9  -21 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -21 45 o 24.016  3.8930  100.527   24.611    86.905    34.584    114.503   35.031    21.982  5.7925  26.049  5.2028  -4.067438      7.785972 
1 1 1 -9  -21 46 o 20.488  4.0627  80.130    23.834    95.636    32.913    63.032    34.561    23.094  5.4147  17.881  6.0584  5.212811       8.125460 
1 1 1 -9  -20 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -20 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -20 3  o ?       ?       326.644   107531.80 0.0000    0.0000    326.644   107531.80 ?       ?       ?       ?       ?              ?        
1 1 1 -9  -20 4  f 56.383  2.7400  427.091   41.380    0.0000    0.0000    427.091   41.380    ?       ?       56.383  2.7400  ?              ?        
1 1 1 -9  -20 5  o 138.550 2.9334  2588.90   108.835   2544.81   154.541   2632.28   153.298   137.367 4.2002  139.732 4.0959  -2.364746      5.866713 
1 1 1 -9  -20 6  o 37.101  1.9588  185.894   19.324    188.049   27.426    183.770   27.231    37.316  2.7636  36.886  2.7767  0.4308205      3.917581 
1 1 1 -9  -20 7  o 34.795  2.0170  163.626   18.611    153.574   26.013    174.168   26.639    33.687  2.9116  35.904  2.7920  -2.217075      4.033942 
1 1 1 -9  -20 8  o 151.745 3.1358  3105.88   127.402   3214.44   180.532   2998.18   179.817   154.403 4.3652  149.087 4.5030  5.316452       6.271561 
1 1 1 -9  -20 9  o 189.188 3.7743  4841.27   191.244   4906.30   270.627   4776.39   270.293   190.469 5.3047  187.907 5.3703  2.561264       7.548521 
1 1 1 -9  -20 10 o 22.852  2.6219  72.133    15.475    76.726    21.847    67.508    21.924    23.623  3.5635  22.080  3.8469  1.542978       5.243758 
1 1 1 -9  -20 11 f 76.443  2.0829  784.640   42.639    765.043   59.663    805.098   60.961    75.468  2.9516  77.419  2.9398  -1.951302      4.165812 
1 1 1 -9  -20 12 o 180.622 3.5845  4408.21   173.407   4347.38   244.768   4469.51   245.704   179.363 5.0949  181.881 5.0436  -2.518127      7.169046 
1 1 1 -9  -20 13 o 189.962 3.7810  4881.87   192.335   4747.23   271.381   5017.74   272.630   187.308 5.4092  192.616 5.2844  -5.307617      7.562015 
1 1 1 -9  -20 14 o 147.281 3.0191  2924.16   119.100   2911.11   167.850   2937.40   169.022   146.952 4.2644  147.611 4.2750  -0.6597443     6.038258 
1 1 1 -9  -20 15 f 127.671 2.7560  2195.39   94.240    2197.83   132.631   2192.89   133.929   127.747 3.8762  127.596 3.9188  0.1514282      5.511951 
1 1 1 -9  -20 16 o 51.808  1.9216  361.434   26.563    359.711   37.057    363.255   38.097    51.684  2.6861  51.932  2.7486  -0.2480698     3.843198 
1 1 1 -9  -20 17 o 142.661 3.0093  2745.84   114.969   2679.60   162.032   2813.01   163.155   140.919 4.2928  144.403 4.2183  -3.484131      6.018508 
1 1 1 -9  -20 18 o 73.110  2.0325  718.310   39.798    707.214   55.929    729.692   56.643    72.538  2.8786  73.682  2.8701  -1.144524      4.064986 
1 1 1 -9  -20 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -20 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -20 21 o 55.164  3.9103  412.977   57.403    412.977   57.403    0.0000    0.0000    55.164  3.9103  ?       ?       ?              ?        
1 1 1 -9  -20 22 o 100.233 2.3762  1354.63   63.789    1378.57   90.492    1330.98   89.934    101.117 3.3412  99.348  3.3797  1.768349       4.752432 
1 1 1 -9  -20 23 f 10.398  2.8033  7.4944    11.445    18.593    16.642    -2.4660   15.766    12.250  4.2036  8.5456  3.7100  3.703951       5.606662 
1 1 1 -9  -20 24 o 79.104  2.1320  843.711   45.165    845.746   64.462    841.749   63.300    79.194  3.0390  79.015  2.9909  0.1788254      4.263923 
1 1 1 -9  -20 25 f 24.681  2.4491  85.202    15.442    69.237    22.227    100.095   21.468    22.290  3.8630  27.072  3.0116  -4.782675      4.898220 
1 1 1 -9  -20 26 o 63.389  2.0088  542.877   34.053    527.995   49.142    556.624   47.231    62.536  2.9338  64.242  2.7449  -1.705235      4.017647 
1 1 1 -9  -20 27 o 45.024  1.9681  275.163   23.576    263.287   33.826    286.382   32.876    44.055  2.8825  45.993  2.6803  -1.937771      3.936120 
1 1 1 -9  -20 28 o 36.917  2.0561  185.024   20.140    198.061   29.226    173.234   27.793    38.166  2.8802  35.669  2.9352  2.497200       4.112246 
1 1 1 -9  -20 29 o 41.515  2.0403  235.278   22.451    216.760   32.247    252.697   31.277    39.881  3.0418  43.149  2.7202  -3.267864      4.080653 
1 1 1 -9  -20 30 o 23.880  2.6071  79.475    16.054    90.824    23.169    68.993    22.265    25.604  3.4676  22.155  3.8942  3.449192       5.214275 
1 1 1 -9  -20 31 o 25.069  2.6441  87.694    17.206    90.708    24.602    84.809    24.073    25.507  3.7097  24.632  3.7686  0.8748550      5.288158 
1 1 1 -9  -20 32 o 48.330  2.1649  320.556   27.726    289.804   39.785    349.592   38.659    45.997  3.2502  50.662  2.8606  -4.665001      4.329717 
1 1 1 -9  -20 33 o 34.366  2.3230  162.684   21.114    169.057   30.252    156.630   29.482    35.035  3.2612  33.698  3.3090  1.336823       4.645996 
1 1 1 -9  -20 34 o 28.510  2.6084  114.794   19.172    97.286    27.509    131.330   26.735    26.223  4.0469  30.796  3.2920  -4.573687      5.216759 
1 1 1 -9  -20 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -20 36 o 35.828  2.5469  180.211   23.905    206.023   34.079    155.208   33.541    38.491  3.3386  33.165  3.8472  5.326180       5.093797 
1 1 1 -9  -20 37 o 47.693  2.3443  316.876   29.756    323.318   42.088    310.440   42.074    48.199  3.2796  47.187  3.3507  1.012341       4.688551 
1 1 1 -9  -20 38 o 27.773  3.4162  117.468   23.391    103.748   38.262    125.657   29.558    25.916  5.6697  29.631  3.8128  -3.714600      6.832492 
1 1 1 -9  -20 39 o 37.380  2.5981  201.049   25.278    166.245   35.789    235.695   35.707    33.873  4.0233  40.886  3.2883  -7.013378      5.196179 
1 1 1 -9  -20 40 o 19.567  3.6450  60.105    19.397    55.354    27.124    65.078    27.750    18.750  5.2125  20.384  5.0963  -1.634254      7.289922 
1 1 1 -9  -20 41 o 41.548  2.6398  250.909   29.060    247.199   40.686    254.773   41.520    41.241  3.7234  41.855  3.7431  -0.6138191     5.279623 
1 1 1 -9  -20 42 o 8.8596  2.7251  -19.5962  15.220    15.725    19.827    -70.2785  23.750    11.571  4.4834  6.1484  3.0990  5.422458       5.450243 
1 1 1 -9  -20 43 o 14.912  3.5506  31.602    19.082    55.919    26.274    4.4570    27.760    18.515  5.1242  11.309  4.9164  7.205957       7.101259 
1 1 1 -9  -20 44 o 10.220  3.0543  -17.2543  17.950    27.671    25.017    -64.9189  25.769    13.731  5.1009  6.7087  3.3608  7.022083       6.108593 
1 1 1 -9  -20 45 o 19.497  4.1435  67.624    23.480    58.313    32.161    78.250    34.358    18.083  5.8340  20.911  5.8856  -2.827848      8.287077 
1 1 1 -9  -20 46 o 14.963  3.8341  35.923    21.073    15.772    29.254    57.656    30.381    12.194  5.1683  17.733  5.6649  -5.538973      7.668250 
1 1 1 -9  -19 1  o 22.289  3.2663  68.206    18.922    0.0000    0.0000    68.206    18.922    ?       ?       22.289  3.2663  ?              ?        
1 1 1 -9  -19 2  o 84.041  3.0945  949.072   69.659    0.0000    0.0000    949.072   69.659    ?       ?       84.041  3.0945  ?              ?        
1 1 1 -9  -19 3  o 72.120  2.9066  698.517   56.147    0.0000    0.0000    698.517   56.147    ?       ?       72.120  2.9066  ?              ?        
1 1 1 -9  -19 4  o 46.718  2.5939  304.364   28.961    273.879   52.718    317.540   34.659    44.869  4.4451  48.566  2.6746  -3.697388      5.187712 
1 1 1 -9  -19 5  o 110.328 2.5096  1636.15   74.143    1685.56   105.302   1587.58   104.410   111.984 3.5107  108.672 3.5871  3.312416       5.019166 
1 1 1 -9  -19 6  o 170.913 3.4547  3938.65   158.144   3903.76   224.056   3973.28   223.245   170.152 4.9162  171.675 4.8550  -1.522919      6.909407 
1 1 1 -9  -19 7  o 101.349 2.4147  1381.69   65.416    1485.71   92.624    1278.16   92.401    105.172 3.2880  97.527  3.5372  7.644783       4.829392 
1 1 1 -9  -19 8  o 38.170  1.9693  196.437   19.989    191.754   27.830    201.426   28.728    37.699  2.7757  38.642  2.7945  -0.9425201     3.938682 
1 1 1 -9  -19 9  f 112.399 2.5511  1697.74   76.802    1704.62   108.258   1690.78   108.973   112.630 3.5885  112.168 3.6271  0.4620285      5.102297 
1 1 1 -9  -19 10 o 64.376  1.9923  555.925   34.345    545.475   47.948    566.937   49.218    63.755  2.8078  64.996  2.8272  -1.241222      3.984568 
1 1 1 -9  -19 11 o 102.263 2.3675  1404.42   64.841    1374.61   91.138    1434.98   92.271    101.163 3.3635  103.363 3.3328  -2.200371      4.735034 
1 1 1 -9  -19 12 o 85.988  2.1595  992.162   49.724    963.320   69.495    1022.41   71.176    84.707  3.0630  87.268  3.0450  -2.560776      4.319007 
1 1 1 -9  -19 13 o 76.330  2.0636  781.647   42.176    766.015   58.743    798.279   60.591    75.544  2.9032  77.116  2.9334  -1.572716      4.127111 
1 1 1 -9  -19 14 o 151.884 3.1343  3106.47   127.497   3138.66   179.832   3073.94   180.789   152.681 4.3974  151.086 4.4674  1.595230       6.268553 
1 1 1 -9  -19 15 o 96.294  2.2616  1245.35   58.326    1238.03   81.803    1252.92   83.185    96.008  3.1811  96.580  3.2156  -0.5723343     4.523231 
1 1 1 -9  -19 16 o 133.892 2.8360  2412.56   101.668   2326.28   143.175   2500.32   144.392   131.468 4.0659  136.316 3.9547  -4.847580      5.671932 
1 1 1 -9  -19 17 o 103.998 2.3890  1453.64   66.541    1427.79   93.706    1479.93   94.504    103.063 3.3945  104.932 3.3624  -1.868385      4.777919 
1 1 1 -9  -19 18 o 63.126  1.9550  535.028   33.054    528.137   46.559    542.031   46.936    62.716  2.7716  63.536  2.7580  -0.8204002     3.910036 
1 1 1 -9  -19 19 o 130.579 2.7744  2296.40   97.035    2299.28   137.202   2293.51   137.255   130.662 3.9203  130.497 3.9268  0.1653290      5.548742 
1 1 1 -9  -19 20 o 96.087  2.3108  1241.69   59.466    1266.77   84.353    1216.90   83.846    97.055  3.2449  95.120  3.2910  1.935364       4.621631 
1 1 1 -9  -19 21 o 89.625  2.2250  1080.16   53.401    1112.06   76.051    1049.14   75.002    90.933  3.1224  88.317  3.1706  2.615707       4.449984 
1 1 1 -9  -19 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -19 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -19 24 o 30.859  2.1495  129.384   17.527    131.677   25.269    127.259   24.331    31.120  3.0717  30.598  3.0076  0.5216980      4.298950 
1 1 1 -9  -19 25 o 108.690 2.5133  1595.88   73.154    1581.93   104.196   1609.43   102.729   108.211 3.5949  109.169 3.5132  -0.9579315     5.026579 
1 1 1 -9  -19 26 o 72.491  2.0871  708.185   40.513    721.864   58.140    695.274   56.485    73.168  2.9666  71.813  2.9366  1.355331       4.174224 
1 1 1 -9  -19 27 o 26.131  2.3615  93.423    15.999    110.443   23.423    78.536    21.906    28.427  3.1280  23.834  3.5388  4.592957       4.723047 
1 1 1 -9  -19 28 o 35.761  2.0873  174.307   19.763    165.997   28.495    182.008   27.432    34.909  3.0791  36.613  2.8189  -1.704739      4.174587 
1 1 1 -9  -19 29 o 92.841  2.3365  1168.60   58.100    1177.68   82.601    1159.71   81.738    93.197  3.3090  92.486  3.2996  0.7107162      4.672978 
1 1 1 -9  -19 30 o 38.094  2.0951  197.618   21.180    198.481   30.785    196.841   29.186    38.158  3.0373  38.031  2.8867  0.1266365      4.190217 
1 1 1 -9  -19 31 o 31.814  2.3130  138.935   19.425    142.193   27.678    135.773   27.270    32.189  3.2550  31.439  3.2870  0.7494583      4.625915 
1 1 1 -9  -19 32 o 49.301  2.1267  331.773   27.899    317.490   40.043    345.247   38.892    48.233  3.1162  50.368  2.8950  -2.135132      4.253384 
1 1 1 -9  -19 33 o 59.429  2.1537  481.389   34.197    470.372   48.813    492.007   47.922    58.699  3.1158  60.158  2.9741  -1.458324      4.307405 
1 1 1 -9  -19 34 o 12.748  3.3588  17.816    15.445    13.773    21.875    21.835    21.809    12.118  4.7055  13.377  4.7943  -1.259588      6.717622 
1 1 1 -9  -19 35 o 64.226  2.2415  565.588   38.465    548.731   54.780    581.981   54.022    63.209  3.2466  65.243  3.0914  -2.034515      4.482942 
1 1 1 -9  -19 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -19 37 o 26.469  2.9229  100.516   20.024    95.445    28.319    105.586   28.318    25.738  4.2566  27.201  4.0068  -1.462946      5.845809 
1 1 1 -9  -19 38 o 17.470  3.1684  44.000    17.450    78.079    24.376    8.1794    24.991    23.218  4.0679  11.721  4.8587  11.49677       6.336731 
1 1 1 -9  -19 39 o 9.6459  3.0139  -3.7115   15.240    -3.7890   20.605    -3.6178   22.645    9.4082  4.1580  9.8837  4.3640  -0.4754906     6.027747 
1 1 1 -9  -19 40 o 24.367  3.3408  89.975    21.002    94.684    29.397    85.067    30.016    25.142  4.5319  23.592  4.9098  1.550047       6.681639 
1 1 1 -9  -19 41 o 26.549  3.2523  107.237   22.183    92.964    31.250    121.734   31.494    24.500  4.9326  28.597  4.2402  -4.096764      6.504594 
1 1 1 -9  -19 42 o 20.956  3.6909  71.124    20.818    81.694    28.895    59.716    30.019    22.822  4.8749  19.090  5.5432  3.732540       7.381875 
1 1 1 -9  -19 43 o 21.742  3.6857  76.636    21.159    75.036    29.059    78.441    30.871    21.569  5.1087  21.916  5.3139  -0.3475170     7.371329 
1 1 1 -9  -19 44 o 36.367  2.9257  199.551   27.906    182.731   38.958    217.275   39.992    34.631  4.2920  38.104  3.9771  -3.473373      5.851335 
1 1 1 -9  -19 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -19 46 o 15.139  3.9756  38.111    21.535    31.195    29.358    46.167    31.686    14.124  5.4604  16.154  5.7799  -2.030390      7.951280 
1 1 1 -9  -19 47 o 10.895  3.4448  3.8183    20.561    4.1919    28.047    3.3842    30.231    10.791  4.8057  10.998  4.9369  -0.2075081     6.889678 
1 1 1 -9  -18 1  o 68.428  2.8505  628.517   52.245    0.0000    0.0000    628.517   52.245    ?       ?       68.428  2.8505  ?              ?        
1 1 1 -9  -18 2  o 215.001 5.9121  6246.90   340.462   0.0000    0.0000    6246.90   340.462   ?       ?       215.001 5.9121  ?              ?        
1 1 1 -9  -18 3  o 145.130 4.2936  2833.48   166.904   0.0000    0.0000    2833.48   166.904   ?       ?       145.130 4.2936  ?              ?        
1 1 1 -9  -18 4  o 193.995 3.8495  5074.76   199.988   5202.05   283.617   4948.88   282.042   196.428 5.3906  191.563 5.4968  4.864960       7.698984 
1 1 1 -9  -18 5  o 153.061 3.1192  3151.20   127.849   3238.82   181.349   3064.61   180.266   155.184 4.3629  150.939 4.4589  4.245392       6.238336 
1 1 1 -9  -18 6  o 62.459  1.9508  523.534   32.608    550.042   46.217    497.259   46.014    64.037  2.6945  60.882  2.8217  3.154644       3.901588 
1 1 1 -9  -18 7  o 73.612  2.0486  726.959   40.388    712.137   56.921    741.987   57.315    72.855  2.9169  74.368  2.8773  -1.513054      4.097253 
1 1 1 -9  -18 8  o 134.382 2.8167  2426.67   101.369   2374.50   143.206   2479.05   143.510   132.931 4.0221  135.834 3.9444  -2.903778      5.633427 
1 1 1 -9  -18 9  f 75.645  2.0545  767.830   41.619    777.687   58.515    757.739   59.207    76.138  2.8693  75.152  2.9413  0.9860611      4.109056 
1 1 1 -9  -18 10 o 64.903  1.9355  565.213   33.630    572.329   47.009    557.754   48.130    65.323  2.6867  64.483  2.7867  0.8407822      3.870908 
1 1 1 -9  -18 11 o 42.777  1.8762  245.934   21.372    235.069   29.511    257.916   30.992    41.781  2.6507  43.772  2.6560  -1.990711      3.752395 
1 1 1 -9  -18 12 o 104.628 2.3954  1469.37   67.125    1444.87   94.275    1494.56   95.596    103.743 3.3927  105.512 3.3826  -1.769653      4.790886 
1 1 1 -9  -18 13 o 131.568 2.8015  2325.83   98.715    2282.75   138.890   2369.82   140.330   130.335 3.9785  132.801 3.9451  -2.466141      5.602901 
1 1 1 -9  -18 14 o 119.112 2.6063  1905.97   83.142    1922.46   117.029   1889.16   118.139   119.636 3.6521  118.589 3.7193  1.047050       5.212581 
1 1 1 -9  -18 15 o 75.571  2.0283  766.002   41.040    735.514   57.494    797.674   58.600    74.037  2.8992  77.105  2.8374  -3.068207      4.056679 
1 1 1 -9  -18 16 o 94.856  2.2491  1207.85   57.103    1147.13   80.204    1270.27   81.318    92.435  3.2395  97.278  3.1209  -4.843597      4.498258 
1 1 1 -9  -18 17 o 42.852  1.9037  247.427   21.732    252.344   30.550    242.389   30.920    43.289  2.6475  42.415  2.7363  0.8736572      3.807384 
1 1 1 -9  -18 18 o 84.741  2.1419  964.095   48.612    949.279   68.681    978.968   68.814    84.087  3.0494  85.395  3.0085  -1.307625      4.283718 
1 1 1 -9  -18 19 o 80.358  2.0801  866.934   44.766    885.707   63.514    848.403   63.105    81.224  2.9194  79.492  2.9638  1.731895       4.160233 
1 1 1 -9  -18 20 o 55.493  1.9317  414.697   28.603    394.448   41.003    433.889   39.920    54.128  2.8381  56.858  2.6212  -2.729618      3.863353 
1 1 1 -9  -18 21 o 63.666  1.9710  543.971   33.600    558.672   48.264    530.145   46.804    64.500  2.7937  62.833  2.7811  1.667549       3.941929 
1 1 1 -9  -18 22 o 154.502 3.1914  3222.08   132.064   3202.16   187.399   3241.73   186.141   154.020 4.5426  154.984 4.4840  -0.9644318     6.382895 
1 1 1 -9  -18 23 o 39.267  1.9743  207.482   20.589    225.129   30.113    191.990   28.214    40.840  2.7692  37.695  2.8147  3.145470       3.948519 
1 1 1 -9  -18 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -18 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -18 26 o 56.001  1.9881  422.569   29.750    424.485   42.888    420.792   41.303    56.082  2.8647  55.920  2.7576  0.1622353      3.976262 
1 1 1 -9  -18 27 o 109.114 2.5222  1609.13   73.711    1630.44   104.854   1588.31   103.642   109.829 3.5644  108.399 3.5696  1.429688       5.044473 
1 1 1 -9  -18 28 o 22.950  2.7839  75.120    16.131    52.488    22.924    97.318    22.703    19.254  4.5221  26.646  3.2482  -7.392218      5.567805 
1 1 1 -9  -18 29 o 90.128  2.3406  1100.04   56.476    1068.90   80.224    1130.64   79.519    88.845  3.3712  91.411  3.2478  -2.565720      4.681132 
1 1 1 -9  -18 30 o 33.326  2.2102  151.509   19.488    158.009   28.004    145.406   27.137    34.028  3.1068  32.624  3.1445  1.404011       4.420437 
1 1 1 -9  -18 31 o 13.347  3.1200  23.090    12.989    19.414    17.666    27.415    19.162    12.487  4.3284  14.207  4.4948  -1.720162      6.240003 
1 1 1 -9  -18 32 o 99.896  2.4960  1360.02   66.784    1368.87   94.758    1351.29   94.140    100.219 3.5300  99.574  3.5297  0.6452179      4.991989 
1 1 1 -9  -18 33 o 29.490  2.5506  122.913   19.176    96.848    27.781    146.636   26.503    26.266  4.0812  32.714  3.0602  -6.447872      5.101106 
1 1 1 -9  -18 34 o 64.128  2.2047  560.573   37.719    610.109   54.047    513.540   52.664    66.966  3.0132  61.291  3.2192  5.674995       4.409405 
1 1 1 -9  -18 35 f 22.797  3.0876  74.523    18.145    66.282    25.591    82.856    25.732    21.428  4.5967  24.166  4.1234  -2.737936      6.175146 
1 1 1 -9  -18 36 o 40.257  2.3449  223.811   25.058    220.807   35.260    226.876   35.617    39.980  3.3229  40.534  3.3095  -0.5540237     4.689789 
1 1 1 -9  -18 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -18 38 o 35.450  2.5694  176.574   23.800    147.930   32.928    207.913   34.441    32.296  3.8843  38.604  3.3645  -6.308239      5.138850 
1 1 1 -9  -18 39 o 44.836  2.4235  282.007   28.883    284.004   40.781    279.996   40.913    45.008  3.4081  44.665  3.4465  0.3429108      4.847042 
1 1 1 -9  -18 40 f 19.091  3.5820  55.653    18.654    48.943    25.595    63.256    27.245    17.874  5.0970  20.308  5.0341  -2.433405      7.163920 
1 1 1 -9  -18 41 o 40.604  2.5711  236.733   27.654    230.009   39.193    243.399   39.024    39.977  3.7022  41.232  3.5687  -1.254128      5.142201 
1 1 1 -9  -18 42 o 40.473  2.7197  239.277   29.113    242.733   40.773    235.683   41.583    40.837  3.7701  40.108  3.9209  0.7294884      5.439417 
1 1 1 -9  -18 43 o 15.733  3.6249  39.403    18.256    49.634    23.936    25.178    28.226    17.655  4.8926  13.811  5.3500  3.843401       7.249844 
1 1 1 -9  -18 44 o 12.819  3.6202  19.067    19.074    26.121    25.288    9.7567    29.052    13.615  5.1145  12.023  5.1249  1.591723       7.240370 
1 1 1 -9  -18 45 o 16.678  3.8923  45.931    21.244    62.822    29.544    27.850    30.568    19.255  5.4711  14.101  5.5377  5.154018       7.784571 
1 1 1 -9  -18 46 o 11.680  3.6474  -0.9872   21.673    -15.4524  26.909    25.722    36.565    9.3154  4.3529  14.044  5.8538  -4.728633      7.294859 
1 1 1 -9  -18 47 o 15.751  3.5433  39.145    15.770    56.235    28.812    31.834    18.844    17.578  5.5047  13.924  4.4629  3.654583       7.086510 
1 1 1 -9  -17 1  o 103.542 3.4082  1439.37   94.523    0.0000    0.0000    1439.37   94.523    ?       ?       103.542 3.4082  ?              ?        
1 1 1 -9  -17 2  o 59.629  2.7266  476.898   43.548    0.0000    0.0000    476.898   43.548    ?       ?       59.629  2.7266  ?              ?        
1 1 1 -9  -17 3  o 238.726 5.6063  7636.56   337.755   7994.06   591.540   7463.64   411.411   242.358 9.1125  235.094 6.5335  7.264328       11.21267 
1 1 1 -9  -17 4  o 252.882 4.7795  8638.77   323.700   8797.20   458.536   8481.38   457.030   255.209 6.7079  250.554 6.8101  4.655518       9.558969 
1 1 1 -9  -17 5  o 55.620  1.8837  414.865   28.059    405.234   39.579    424.595   39.784    54.971  2.6881  56.270  2.6396  -1.299179      3.767440 
1 1 1 -9  -17 6  o 132.737 2.8171  2366.50   100.154   2390.45   141.782   2342.65   141.498   133.409 3.9678  132.065 4.0001  1.343872       5.634186 
1 1 1 -9  -17 7  o 265.016 4.9921  9491.95   354.293   9713.77   501.406   9270.76   500.687   268.135 6.9815  261.898 7.1375  6.237610       9.984225 
1 1 1 -9  -17 8  o 56.974  1.9236  435.469   29.216    392.206   40.624    481.818   42.048    54.004  2.8182  59.944  2.6189  -5.939495      3.847166 
1 1 1 -9  -17 9  o 180.121 3.5826  4366.07   172.791   4482.38   244.148   4249.36   244.579   182.536 4.9936  177.705 5.1384  4.831375       7.165165 
1 1 1 -9  -17 10 o 51.631  1.8784  357.379   25.865    325.394   35.844    392.128   37.360    49.183  2.7316  54.078  2.5792  -4.895412      3.756882 
1 1 1 -9  -17 11 o 91.612  2.1931  1125.55   53.796    1084.44   75.358    1168.27   76.821    89.906  3.1294  93.318  3.0734  -3.412872      4.386220 
1 1 1 -9  -17 12 o 74.933  2.0039  752.677   40.208    733.105   56.100    773.349   57.657    73.932  2.8330  75.934  2.8348  -2.002098      4.007741 
1 1 1 -9  -17 13 o 170.593 3.4288  3914.91   156.661   3954.95   221.053   3874.51   222.053   171.475 4.8129  169.711 4.8849  1.763672       6.857595 
1 1 1 -9  -17 14 o 158.523 3.2220  3378.72   136.801   3341.61   192.960   3416.22   193.975   157.646 4.5698  159.400 4.5433  -1.753983      6.443941 
1 1 1 -9  -17 15 o 76.542  2.0247  785.770   41.490    753.200   58.267    819.273   59.095    74.932  2.9031  78.153  2.8230  -3.221069      4.049397 
1 1 1 -9  -17 16 o 85.586  2.1197  982.612   48.582    954.872   68.262    1011.08   69.157    84.361  3.0210  86.811  2.9742  -2.450073      4.239352 
1 1 1 -9  -17 17 o 31.506  2.0108  134.366   16.747    144.755   23.772    124.130   23.597    32.737  2.7361  30.274  2.9474  2.462868       4.021589 
1 1 1 -9  -17 18 o 141.462 2.9697  2690.60   112.520   2667.16   159.195   2714.01   159.060   140.843 4.2199  142.081 4.1796  -1.237045      5.939429 
1 1 1 -9  -17 19 o 123.290 2.6678  2042.66   88.093    2028.61   124.914   2056.56   124.254   122.866 3.7957  123.714 3.7497  -0.8485641     5.335538 
1 1 1 -9  -17 20 o 88.134  2.1930  1042.81   51.767    1045.02   73.669    1040.64   72.758    88.226  3.1175  88.043  3.0853  0.1827621      4.386076 
1 1 1 -9  -17 21 f 99.135  2.3419  1319.87   62.176    1348.02   88.707    1292.69   87.174    100.174 3.3061  98.096  3.3178  2.078560       4.683777 
1 1 1 -9  -17 22 o 74.345  2.0614  741.769   41.031    755.926   59.092    728.588   57.019    75.028  2.9404  73.662  2.8899  1.365814       4.122818 
1 1 1 -9  -17 23 o 55.824  1.9663  419.215   29.305    415.513   42.487    422.575   40.473    55.547  2.8654  56.101  2.6934  -0.5534401     3.932566 
1 1 1 -9  -17 24 o 53.377  1.9756  383.206   28.103    393.807   41.106    373.902   38.510    54.065  2.8486  52.689  2.7381  1.375698       3.951205 
1 1 1 -9  -17 25 o 36.969  2.1176  184.624   20.761    191.452   30.323    178.600   28.484    37.610  3.0360  36.328  2.9529  1.282104       4.235203 
1 1 1 -9  -17 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -17 27 o 128.370 2.8129  2228.65   96.694    2182.57   137.177   2274.15   136.320   127.034 4.0315  129.706 3.9238  -2.671219      5.625822 
1 1 1 -9  -17 28 o 64.916  2.0626  567.495   35.854    583.168   51.381    552.621   50.056    65.790  2.9158  64.043  2.9180  1.746513       4.125143 
1 1 1 -9  -17 29 o 43.264  2.0749  253.374   23.888    264.979   34.362    242.521   33.231    44.229  2.9169  42.299  2.9516  1.929989       4.149740 
1 1 1 -9  -17 30 o 55.439  2.0503  415.416   30.336    446.376   43.433    385.925   42.389    57.509  2.8197  53.368  2.9773  4.140152       4.100571 
1 1 1 -9  -17 31 o 40.232  2.1439  219.772   22.881    240.734   33.126    200.647   31.641    42.088  2.9573  38.376  3.1049  3.712471       4.287874 
1 1 1 -9  -17 32 o 48.593  2.1073  320.744   27.238    349.467   39.148    293.793   37.921    50.728  2.8932  46.458  3.0646  4.270523       4.214527 
1 1 1 -9  -17 33 o 44.209  2.1776  266.341   25.595    283.863   36.739    249.815   35.679    45.641  3.0223  42.776  3.1359  2.865635       4.355279 
1 1 1 -9  -17 34 o 32.987  2.3618  149.752   20.579    151.999   29.306    147.566   28.905    33.234  3.3373  32.740  3.3430  0.4946404      4.723666 
1 1 1 -9  -17 35 o 45.689  2.2555  286.620   27.353    265.528   38.895    307.258   38.474    43.970  3.3272  47.408  3.0460  -3.438442      4.510939 
1 1 1 -9  -17 36 o 44.642  2.2633  273.865   26.883    272.101   37.924    275.647   38.114    44.496  3.2034  44.789  3.1981  -0.2923164     4.526566 
1 1 1 -9  -17 37 o 45.625  2.3009  287.216   27.931    285.236   39.688    289.158   39.317    45.457  3.2817  45.792  3.2261  -0.3355141     4.601866 
1 1 1 -9  -17 38 o 44.527  3.4161  275.671   40.431    275.671   40.431    0.0000    0.0000    44.527  3.4161  ?       ?       ?              ?        
1 1 1 -9  -17 39 o 24.838  3.1788  90.124    20.343    81.656    28.185    99.331    29.390    23.531  4.6369  26.145  4.3497  -2.614071      6.357692 
1 1 1 -9  -17 40 o 12.360  3.4170  11.865    17.278    -3.2222   23.683    29.033    25.264    10.151  4.4735  14.568  5.1665  -4.416927      6.834068 
1 1 1 -9  -17 41 o 34.615  2.7621  173.479   25.121    181.521   35.354    165.277   35.702    35.517  3.7742  33.713  4.0338  1.803940       5.524126 
1 1 1 -9  -17 42 o 19.389  3.6846  59.993    20.019    74.680    28.011    44.659    28.621    21.915  4.8955  16.863  5.5082  5.052103       7.369256 
1 1 1 -9  -17 43 o 14.859  3.6779  32.848    18.703    43.550    25.436    20.250    27.597    16.555  5.1702  13.163  5.2322  3.391886       7.355782 
1 1 1 -9  -17 44 o 24.265  3.7558  95.135    23.685    87.023    32.112    104.815   35.076    23.113  5.3000  25.417  5.3229  -2.303753      7.511519 
1 1 1 -9  -17 45 o 25.267  2.9887  96.236    18.481    102.692   31.968    92.995    22.650    25.390  4.8780  25.143  3.4546  0.2473030      5.977330 
1 1 1 -9  -17 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -17 47 o 27.650  2.9306  106.809   19.844    170.165   35.874    78.875    23.820    32.957  4.1564  22.343  4.1324  10.61328       5.861101 
1 1 1 -9  -16 1  o 100.434 3.3538  1353.65   90.220    0.0000    0.0000    1353.65   90.220    ?       ?       100.434 3.3538  ?              ?        
1 1 1 -9  -16 2  o 184.592 5.1945  4585.07   256.830   0.0000    0.0000    4585.07   256.830   ?       ?       184.592 5.1945  ?              ?        
1 1 1 -9  -16 3  o 85.106  2.1643  971.626   49.332    966.895   70.057    976.280   69.480    84.899  3.0808  85.312  3.0406  -0.4128571     4.328548 
1 1 1 -9  -16 4  o 152.934 3.1498  3142.92   129.023   3152.84   182.954   3133.11   181.982   153.173 4.4593  152.694 4.4496  0.4789886      6.299556 
1 1 1 -9  -16 5  o 106.992 2.4313  1536.14   69.673    1555.00   98.729    1517.43   98.338    107.647 3.4242  106.337 3.4526  1.310059       4.862640 
1 1 1 -9  -16 6  o 179.053 3.5531  4312.25   170.386   4385.90   241.171   4238.86   240.754   180.586 4.9860  177.521 5.0633  3.064484       7.106145 
1 1 1 -9  -16 7  o 140.994 2.9386  2670.31   110.967   2706.72   156.840   2633.82   157.021   141.960 4.1248  140.029 4.1865  1.930969       5.877143 
1 1 1 -9  -16 8  o 80.897  2.0898  878.502   45.242    912.509   63.591    843.644   64.381    82.487  2.8782  79.307  3.0308  3.179665       4.179693 
1 1 1 -9  -16 9  o 117.305 2.5617  1846.80   80.476    1803.01   113.215   1891.53   114.414   115.898 3.6470  118.713 3.5983  -2.814407      5.123324 
1 1 1 -9  -16 10 o 182.498 3.6147  4480.48   176.690   4494.76   249.391   4466.10   250.367   182.792 5.0937  182.203 5.1302  0.5894165      7.229427 
1 1 1 -9  -16 11 o 109.092 2.4282  1597.06   70.948    1595.40   99.747    1598.77   100.935   109.035 3.4154  109.148 3.4525  -0.1127243     4.856417 
1 1 1 -9  -16 12 o 158.419 3.1911  3372.92   135.405   3356.12   190.962   3389.91   192.026   158.023 4.5117  158.816 4.5142  -0.7930756     6.382233 
1 1 1 -9  -16 13 o 309.065 5.7990  12944.51  480.036   13064.20  678.551   12824.60  679.197   310.514 8.1585  307.616 8.2432  2.897858       11.59797 
1 1 1 -9  -16 14 o 152.094 3.0967  3108.71   126.122   3019.06   177.845   3199.40   178.886   149.882 4.4300  154.305 4.3282  -4.423660      6.193391 
1 1 1 -9  -16 15 o 112.327 2.4919  1693.55   74.964    1657.29   105.697   1730.26   106.337   111.115 3.5514  113.539 3.4966  -2.423996      4.983853 
1 1 1 -9  -16 16 o 29.931  2.0643  121.468   16.314    116.040   23.291    126.696   22.858    29.257  3.0154  30.606  2.8201  -1.349058      4.128615 
1 1 1 -9  -16 17 o 73.088  1.9985  716.456   39.123    722.558   55.571    710.460   55.087    73.397  2.8267  72.780  2.8259  0.6170044      3.996985 
1 1 1 -9  -16 18 o 333.270 6.2767  15106.79  560.246   14883.60  792.443   15329.81  792.172   330.770 8.9444  335.770 8.8082  -5.000427      12.55340 
1 1 1 -9  -16 19 o 198.262 3.8691  5297.25   205.449   5230.84   290.945   5363.31   290.153   197.014 5.5135  199.511 5.4296  -2.497803      7.738184 
1 1 1 -9  -16 20 o 212.261 4.1094  6078.52   233.626   6154.04   331.163   6003.69   329.637   213.579 5.7889  210.942 5.8342  2.637222       8.218823 
1 1 1 -9  -16 21 o 151.382 3.1008  3082.69   125.711   3160.69   178.741   3006.34   176.840   153.282 4.3536  149.483 4.4167  3.799149       6.201685 
1 1 1 -9  -16 22 o 68.535  2.0096  630.393   36.860    629.767   53.207    630.971   51.112    68.500  2.9000  68.571  2.7829  -0.7137299E-01 4.019236 
1 1 1 -9  -16 23 o 58.995  1.9896  468.823   31.301    448.483   45.259    487.472   43.337    57.722  2.9370  60.269  2.6846  -2.546497      3.979104 
1 1 1 -9  -16 24 o 121.301 2.6742  1979.84   86.876    1984.33   123.772   1975.48   121.970   121.433 3.8054  121.169 3.7581  0.2637558      5.348317 
1 1 1 -9  -16 25 o 99.682  2.4036  1337.43   64.136    1302.05   91.497    1371.60   89.927    98.376  3.4724  100.988 3.3245  -2.612305      4.807283 
1 1 1 -9  -16 26 o 68.240  2.0776  626.264   37.943    619.313   54.609    632.752   52.757    67.868  3.0041  68.613  2.8707  -0.7441864     4.155175 
1 1 1 -9  -16 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -16 28 f 36.322  2.2272  179.307   21.089    221.661   30.607    141.022   29.099    40.487  2.8404  32.157  3.4314  8.329445       4.454450 
1 1 1 -9  -16 29 o 71.505  2.1399  688.797   40.971    712.987   58.759    665.907   57.157    72.728  3.0163  70.283  3.0362  2.445168       4.279824 
1 1 1 -9  -16 30 o 72.094  2.1362  701.278   41.219    739.990   58.864    664.033   57.737    74.055  2.9676  70.133  3.0736  3.922630       4.272423 
1 1 1 -9  -16 31 o 20.897  2.9188  62.344    15.775    89.960    22.772    36.865    21.873    25.550  3.4128  16.244  4.7360  9.305941       5.837571 
1 1 1 -9  -16 32 o 63.204  2.1431  540.856   36.264    561.268   51.407    520.636   51.164    64.402  2.9801  62.005  3.0807  2.396896       4.286188 
1 1 1 -9  -16 33 o 91.416  2.4135  1136.80   59.091    1147.64   83.330    1125.83   83.806    91.866  3.3866  90.967  3.4395  0.8985672      4.826925 
1 1 1 -9  -16 34 o 45.880  2.1754  287.133   26.578    289.576   37.725    284.726   37.451    46.075  3.0745  45.685  3.0785  0.3899956      4.350840 
1 1 1 -9  -16 35 o 54.926  2.2012  412.034   32.216    389.151   45.395    435.253   45.728    53.358  3.1909  56.495  3.0330  -3.136150      4.402417 
1 1 1 -9  -16 36 o 24.893  2.9169  89.114    18.328    115.776   26.110    63.216    25.734    28.886  3.4426  20.901  4.7097  7.984829       5.833712 
1 1 1 -9  -16 37 o 7.1879  2.4104  -20.2983  12.400    -18.5874  16.622    -22.4447  18.618    7.0496  3.3333  7.3262  3.4827  -0.2766218     4.820856 
1 1 1 -9  -16 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -16 39 o 51.873  2.3967  374.553   33.093    378.373   46.114    370.496   47.519    52.188  3.3162  51.558  3.4611  0.6305466      4.793361 
1 1 1 -9  -16 40 o 38.939  2.5968  215.196   26.234    168.961   36.420    265.057   37.822    34.330  4.0380  43.548  3.2663  -9.218464      5.193649 
1 1 1 -9  -16 41 f 27.334  3.1394  110.223   22.104    96.565    30.530    125.270   32.045    25.399  4.6594  29.268  4.2088  -3.869022      6.278788 
1 1 1 -9  -16 42 o 28.889  3.0826  125.036   22.917    137.575   31.836    111.553   33.014    30.665  3.9691  27.112  4.7176  3.553551       6.165197 
1 1 1 -9  -16 43 f 14.182  3.8399  26.333    19.818    24.040    24.874    30.319    32.791    13.444  5.0681  14.920  5.7701  -1.475444      7.679816 
1 1 1 -9  -16 44 o 18.283  3.3406  49.573    15.552    63.731    28.035    43.279    18.692    19.801  5.2141  16.766  4.1777  3.035431       6.681286 
1 1 1 -9  -16 45 o 13.991  2.6470  29.143    14.793    -33.4391  26.341    57.974    17.879    8.2166  3.9670  19.765  3.5057  -11.54791      5.294051 
1 1 1 -9  -16 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -16 47 o 20.982  3.4866  76.886    18.434    64.135    33.334    82.503    22.125    18.676  5.9304  23.288  3.6684  -4.611750      6.973297 
1 1 1 -9  -16 48 o 14.356  3.5346  36.322    16.688    26.483    30.963    40.350    19.812    13.270  5.4448  15.443  4.5087  -2.173203      7.069259 
1 1 1 -9  -15 1  o 106.730 3.4625  1528.65   98.983    0.0000    0.0000    1528.65   98.983    ?       ?       106.730 3.4625  ?              ?        
1 1 1 -9  -15 2  o 46.385  2.5885  289.368   32.032    0.0000    0.0000    289.368   32.032    ?       ?       46.385  2.5885  ?              ?        
1 1 1 -9  -15 3  o 38.142  1.7834  195.897   18.115    198.625   25.626    193.171   25.612    38.410  2.5045  37.874  2.5394  0.5361862      3.566708 
1 1 1 -9  -15 4  o 79.309  2.0947  843.577   44.496    855.875   63.085    831.402   62.769    79.885  2.9483  78.734  2.9765  1.151474       4.189496 
1 1 1 -9  -15 5  f 126.508 2.6980  2149.24   91.355    2248.69   129.425   2050.50   128.966   129.432 3.7333  123.584 3.8960  5.848045       5.395953 
1 1 1 -9  -15 6  o 202.047 3.9412  5494.81   213.289   5515.79   301.723   5473.86   301.548   202.434 5.5646  201.660 5.5827  0.7742310      7.882387 
1 1 1 -9  -15 7  o 94.838  2.2296  1206.45   56.636    1199.58   79.843    1213.40   80.351    94.566  3.1522  95.109  3.1541  -0.5433578     4.459224 
1 1 1 -9  -15 8  o 112.814 2.4807  1707.73   74.954    1680.16   105.553   1735.76   106.455   111.895 3.5219  113.733 3.4945  -1.838074      4.961388 
1 1 1 -9  -15 9  o 96.545  2.2506  1250.47   58.190    1258.47   81.763    1242.26   82.833    96.859  3.1516  96.230  3.2137  0.6287689      4.501112 
1 1 1 -9  -15 10 o 116.896 2.5439  1833.71   79.641    1793.81   112.067   1874.43   113.201   115.609 3.6191  118.182 3.5761  -2.572365      5.087852 
1 1 1 -9  -15 11 o 91.898  2.1608  1132.57   53.149    1075.48   74.567    1191.53   75.776    89.542  3.1091  94.254  3.0015  -4.712349      4.321538 
1 1 1 -9  -15 12 o 362.740 6.8039  17894.24  661.057   17781.86  934.396   18006.85  935.357   361.585 9.6479  363.894 9.5965  -2.309814      13.60789 
1 1 1 -9  -15 13 o 160.500 3.2667  3462.32   140.425   3408.42   198.098   3516.76   199.089   159.241 4.6445  161.758 4.5951  -2.517258      6.533412 
1 1 1 -9  -15 14 o 94.706  2.2034  1203.29   55.887    1213.63   78.737    1192.79   79.339    95.117  3.0905  94.294  3.1413  0.8226013      4.406710 
1 1 1 -9  -15 15 o 195.938 3.8398  5168.18   201.512   5109.06   284.815   5227.43   285.146   194.810 5.4584  197.065 5.4022  -2.254257      7.679673 
1 1 1 -9  -15 16 o 189.029 3.7217  4808.99   188.430   4844.60   266.604   4773.45   266.357   189.731 5.2461  188.327 5.2803  1.404297       7.443388 
1 1 1 -9  -15 17 o 209.447 4.0358  5910.07   226.392   5831.81   320.464   5988.04   319.870   208.054 5.7506  210.841 5.6641  -2.787170      8.071645 
1 1 1 -9  -15 18 o 199.068 3.8792  5336.64   206.837   5372.71   293.081   5300.85   291.946   199.740 5.4781  198.397 5.4939  1.343475       7.758401 
1 1 1 -9  -15 19 o 92.461  2.2239  1146.82   55.067    1160.51   78.722    1133.71   77.057    93.000  3.1603  91.921  3.1297  1.078339       4.447765 
1 1 1 -9  -15 20 o 219.243 4.2697  6484.65   250.711   6403.97   355.353   6564.61   353.770   217.872 6.0893  220.615 5.9868  -2.742676      8.539446 
1 1 1 -9  -15 21 o 84.717  2.1553  963.155   48.882    959.639   70.176    966.470   68.128    84.564  3.0982  84.870  2.9970  -0.3059464     4.310548 
1 1 1 -9  -15 22 o 137.349 2.9161  2537.40   107.227   2469.65   152.523   2603.60   150.775   135.526 4.2017  139.173 4.0447  -3.647247      5.832133 
1 1 1 -9  -15 23 o 54.428  2.0090  398.526   29.145    400.276   42.411    396.960   40.118    54.535  2.9140  54.321  2.7664  0.2138519      4.018035 
1 1 1 -9  -15 24 o 112.458 2.5428  1699.44   76.542    1786.15   109.194   1615.67   107.324   115.285 3.5362  109.632 3.6548  5.652489       5.085536 
1 1 1 -9  -15 25 o 15.898  3.1391  35.200    14.170    25.597    20.714    43.649    19.428    14.144  4.6891  17.652  4.1745  -3.508243      6.278126 
1 1 1 -9  -15 26 o 37.361  2.1788  188.929   21.475    215.866   30.877    163.689   29.888    39.980  2.9032  34.742  3.2496  5.238438       4.357608 
1 1 1 -9  -15 27 o 42.145  2.1148  239.122   23.644    266.363   34.502    215.002   32.467    44.420  2.9161  39.869  3.0637  4.550510       4.229635 
1 1 1 -9  -15 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -15 29 o 52.837  2.0914  376.802   29.456    398.487   42.225    356.244   41.112    54.329  2.9123  51.346  3.0024  2.982410       4.182817 
1 1 1 -9  -15 30 o 45.251  2.0669  277.050   24.913    283.592   35.482    270.688   34.989    45.783  2.9086  44.720  2.9374  1.062511       4.133773 
1 1 1 -9  -15 31 o 25.812  2.5157  92.324    16.730    108.035   23.823    77.035    23.500    28.093  3.2244  23.532  3.8625  4.561049       5.031498 
1 1 1 -9  -15 32 o 57.959  2.1504  457.352   32.991    528.438   46.791    387.076   46.524    62.557  2.7925  53.362  3.2708  9.195210       4.300744 
1 1 1 -9  -15 33 o 54.558  2.1518  404.511   31.294    424.889   44.436    384.459   44.079    55.943  2.9762  53.174  3.1084  2.769077       4.303504 
1 1 1 -9  -15 34 o 103.738 2.6113  1469.89   72.511    1514.67   101.948   1424.04   103.155   105.381 3.6118  102.096 3.7722  3.285141       5.222525 
1 1 1 -9  -15 35 o 30.638  2.5027  129.780   20.133    122.143   28.238    137.676   28.714    29.686  3.6267  31.590  3.4496  -1.903564      5.005314 
1 1 1 -9  -15 36 o 44.639  2.2566  273.097   26.791    275.253   37.446    270.835   38.347    44.837  3.1379  44.440  3.2439  0.3963318      4.513218 
1 1 1 -9  -15 37 o 47.275  2.3023  308.018   28.887    327.697   40.362    287.353   41.360    48.891  3.0982  45.659  3.4065  3.232121       4.604639 
1 1 1 -9  -15 38 o 51.592  2.3133  366.809   31.769    345.289   44.377    389.433   45.501    50.008  3.3322  53.177  3.2096  -3.169163      4.626533 
1 1 1 -9  -15 39 o 60.371  2.3907  507.204   38.350    537.357   53.141    474.434   55.399    62.367  3.1918  58.375  3.5602  3.992840       4.781494 
1 1 1 -9  -15 40 o 14.561  3.5221  29.300    16.712    34.737    22.669    22.827    24.735    15.468  4.8883  13.654  5.0722  1.814260       7.044282 
1 1 1 -9  -15 41 o 36.517  2.7369  192.047   26.154    209.531   36.319    173.215   37.693    38.444  3.5677  34.591  4.1512  3.852730       5.473700 
1 1 1 -9  -15 42 o 39.521  2.3881  226.941   23.888    201.029   38.461    243.217   30.481    37.247  3.9137  41.795  2.7379  -4.547474      4.776299 
1 1 1 -9  -15 43 o 25.236  2.9741  98.394    18.219    84.517    30.353    106.209   22.779    23.216  5.0268  27.256  3.1800  -4.039803      5.948241 
1 1 1 -9  -15 44 o 15.383  3.3718  37.872    15.272    28.353    27.182    42.264    18.462    14.171  5.3067  16.595  4.1611  -2.423729      6.743571 
1 1 1 -9  -15 45 o 11.024  3.1060  13.084    13.463    5.8582    24.095    16.364    16.234    10.871  4.6514  11.176  4.1173  -0.3051395     6.211939 
1 1 1 -9  -15 46 o 27.355  3.5129  117.312   22.148    126.309   42.631    113.985   25.921    26.972  6.0501  27.737  3.5719  -0.7653084     7.025802 
1 1 1 -9  -15 47 o 14.181  3.1873  16.194    14.680    68.244    27.930    -3.6729   17.255    20.048  5.1684  8.3152  3.7314  11.73254       6.374592 
1 1 1 -9  -15 48 f 19.853  3.6751  64.285    18.647    88.121    33.734    53.797    22.376    21.863  5.7015  17.844  4.6388  4.018417       7.350214 
1 1 1 -9  -14 1  o 61.225  2.6462  502.578   43.396    0.0000    0.0000    502.578   43.396    ?       ?       61.225  2.6462  ?              ?        
1 1 1 -9  -14 2  o 95.177  2.2669  1215.38   57.780    1197.64   82.086    1232.80   81.344    94.487  3.2435  95.868  3.1679  -1.380577      4.533806 
1 1 1 -9  -14 3  o 156.965 3.1855  3310.02   133.927   3313.07   189.721   3306.99   189.085   157.036 4.5105  156.893 4.4995  0.1430054      6.371034 
1 1 1 -9  -14 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 12 o 109.031 3.4460  1600.53   100.416   1645.08   138.723   1551.49   145.542   110.643 4.6810  107.419 5.0585  3.223999       6.891989 
1 1 1 -9  -14 13 o 116.664 2.5344  1827.69   79.131    1905.41   111.642   1749.22   112.176   119.164 3.4978  114.164 3.6684  4.999680       5.068738 
1 1 1 -9  -14 14 o 278.499 5.2827  10481.93  394.046   10591.55  557.223   10372.27  557.308   279.969 7.4307  277.029 7.5107  2.940063       10.56531 
1 1 1 -9  -14 15 o 153.232 3.0629  3154.59   125.700   3107.10   177.845   3202.00   177.688   152.076 4.3661  154.388 4.2969  -2.312469      6.125848 
1 1 1 -9  -14 16 o 83.909  2.0790  944.209   46.723    953.894   66.544    934.792   65.619    84.333  2.9459  83.485  2.9345  0.8481903      4.158057 
1 1 1 -9  -14 17 o 173.720 3.4381  4058.52   159.973   4035.57   226.782   4081.24   225.693   173.227 4.8877  174.212 4.8367  -0.9849243     6.876282 
1 1 1 -9  -14 18 o 155.523 3.1337  3250.47   130.518   3336.01   185.435   3166.49   183.737   157.555 4.3941  153.491 4.4692  4.064468       6.267499 
1 1 1 -9  -14 19 o 153.590 3.1609  3170.78   130.029   3175.74   184.860   3165.91   182.932   153.706 4.4902  153.473 4.4501  0.2330475      6.321774 
1 1 1 -9  -14 20 o 97.999  2.3115  1287.81   60.645    1343.75   87.005    1234.95   84.576    100.069 3.2461  95.930  3.2916  4.139214       4.622915 
1 1 1 -9  -14 21 o 344.318 6.5086  16139.88  600.255   16181.23  849.920   16098.73  847.861   344.759 9.2039  343.878 9.2052  0.8807373      13.01721 
1 1 1 -9  -14 22 o 56.656  1.9803  431.349   29.959    426.545   43.327    435.751   41.472    56.314  2.8821  56.998  2.7165  -0.6841316     3.960523 
1 1 1 -9  -14 23 o 180.160 3.6066  4372.58   174.018   4312.34   246.799   4432.13   245.404   178.916 5.1500  181.404 5.0506  -2.488327      7.213251 
1 1 1 -9  -14 24 o 93.119  2.3126  1164.07   57.605    1246.19   82.312    1085.25   80.645    96.343  3.1897  89.895  3.3493  6.447716       4.625168 
1 1 1 -9  -14 25 o 16.451  2.8890  35.032    14.094    64.546    20.948    10.624    19.049    21.603  3.7567  11.298  4.3900  10.30468       5.777914 
1 1 1 -9  -14 26 o 79.033  2.2082  839.018   46.738    860.699   66.527    817.888   65.675    80.042  3.1031  78.023  3.1426  2.019157       4.416461 
1 1 1 -9  -14 27 o 69.464  2.1421  648.464   39.853    650.580   56.699    646.397   56.028    69.575  3.0425  69.353  3.0161  0.2219315      4.284140 
1 1 1 -9  -14 28 o 46.631  2.0973  293.421   26.024    314.023   37.234    273.743   36.389    48.246  2.8947  45.016  3.0357  3.229824       4.194601 
1 1 1 -9  -14 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 30 o 28.083  2.4057  108.881   17.338    85.052    24.296    133.607   24.749    24.811  3.7751  31.355  2.9829  -6.543839      4.811314 
1 1 1 -9  -14 31 o 113.745 2.6723  1753.11   81.381    1798.56   114.596   1706.88   115.590   115.255 3.7121  112.235 3.8451  3.020363       5.344560 
1 1 1 -9  -14 32 o 57.457  2.1486  447.451   32.929    474.219   46.291    420.032   46.851    59.264  2.9162  55.650  3.1561  3.613880       4.297167 
1 1 1 -9  -14 33 o 11.168  2.9651  9.2739    12.680    -1.8547   17.006    23.206    19.028    8.9417  3.8676  13.395  4.4955  -4.453334      5.930215 
1 1 1 -9  -14 34 o 7.5040  2.4385  -13.6992  11.293    -21.0077  15.172    -4.6177   16.912    6.4441  3.0855  8.5639  3.7768  -2.119791      4.876956 
1 1 1 -9  -14 35 o 51.167  2.2010  356.939   30.003    355.719   41.691    358.250   43.212    51.091  3.0606  51.243  3.1638  -0.1518250     4.401927 
1 1 1 -9  -14 36 o 45.134  2.2580  279.132   27.083    286.024   37.651    271.743   38.986    45.745  3.0910  44.522  3.2925  1.222557       4.516085 
1 1 1 -9  -14 37 o 38.531  2.4286  205.465   24.675    212.030   33.661    197.839   36.279    39.268  3.2289  37.793  3.6285  1.475239       4.857156 
1 1 1 -9  -14 38 o 34.870  2.5633  168.312   23.355    140.465   31.820    200.834   34.387    31.655  3.8308  38.086  3.4069  -6.430290      5.126604 
1 1 1 -9  -14 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -14 40 o 36.760  2.2392  187.736   21.365    189.387   33.854    186.644   27.542    36.753  3.4804  36.767  2.8182  -0.1360703E-01 4.478335 
1 1 1 -9  -14 41 o 13.113  3.1930  23.712    13.363    17.495    23.481    26.690    16.251    12.644  4.8848  13.581  4.1133  -0.9369621     6.385932 
1 1 1 -9  -14 42 o 28.473  2.4959  113.097   18.214    130.676   29.716    102.518   23.052    30.093  3.7694  26.853  3.2726  3.239502       4.991840 
1 1 1 -9  -14 43 o 28.992  2.7080  123.007   19.587    122.159   32.544    123.488   24.527    28.534  4.3995  29.450  3.1587  -0.9161053     5.416005 
1 1 1 -9  -14 44 o 17.070  2.9714  32.087    14.378    87.244    26.641    9.4177    17.080    23.962  4.3093  10.178  4.0922  13.78434       5.942728 
1 1 1 -9  -14 45 o 18.956  3.2771  61.355    16.883    37.389    28.175    74.780    21.087    15.447  5.4584  22.465  3.6280  -7.018786      6.554151 
1 1 1 -9  -14 46 o 22.136  3.3391  81.177    18.594    66.226    30.888    89.675    23.287    19.734  5.5896  24.539  3.6544  -4.805420      6.678188 
1 1 1 -9  -14 47 o 23.728  3.4608  92.070    20.372    91.874    34.631    92.174    25.192    22.963  5.6654  24.493  3.9764  -1.529980      6.921554 
1 1 1 -9  -14 48 o 17.224  3.5082  54.410    17.781    36.082    30.729    63.636    21.802    14.582  5.6001  19.866  4.2272  -5.284002      7.016486 
1 1 1 -9  -13 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -13 2  o ?       ?       9495.96   41426.04  8608.02   71756.38  9939.84   50734.78  ?       ?       ?       ?       ?              ?        
1 1 1 -9  -13 3  o 94.423  2.2234  1195.66   56.230    1206.77   79.725    1184.65   79.319    94.860  3.1378  93.986  3.1508  0.8740463      4.446723 
1 1 1 -9  -13 4  o 234.691 4.4927  7417.89   282.399   7324.16   399.491   7511.51   399.255   233.200 6.3957  236.182 6.3113  -2.981186      8.985373 
1 1 1 -9  -13 5  o 125.360 2.6493  2108.68   88.955    2085.26   125.717   2132.16   125.886   124.662 3.7651  126.059 3.7283  -1.396576      5.298692 
1 1 1 -9  -13 6  o 187.754 3.6617  4739.61   184.052   4910.34   260.242   4568.76   260.335   191.150 5.0829  184.358 5.2721  6.792328       7.323310 
1 1 1 -9  -13 7  o 88.609  2.1195  1052.61   50.293    1021.14   70.675    1084.90   71.585    87.267  3.0236  89.952  2.9711  -2.684868      4.239093 
1 1 1 -9  -13 8  o 184.255 3.5832  4562.22   176.838   4543.48   249.607   4581.11   250.569   183.875 5.0681  184.635 5.0667  -0.7601166     7.166391 
1 1 1 -9  -13 9  o 238.883 4.5570  7685.51   291.532   7510.49   411.672   7861.59   412.908   236.142 6.5086  241.625 6.3800  -5.483200      9.114097 
1 1 1 -9  -13 10 o 179.829 3.5407  4345.70   170.543   4353.79   240.759   4337.56   241.610   179.999 4.9937  179.660 5.0208  0.3390808      7.081396 
1 1 1 -9  -13 11 o 182.322 3.5727  4467.84   174.459   4520.50   246.384   4414.89   247.063   183.404 5.0155  181.240 5.0894  2.164352       7.145426 
1 1 1 -9  -13 12 o 183.023 3.6200  4502.88   177.455   4528.76   250.681   4476.88   251.239   183.553 5.0988  182.493 5.1399  1.059784       7.239913 
1 1 1 -9  -13 13 o 246.349 6.6388  8231.46   438.042   8308.99   622.113   8155.24   616.889   247.501 9.3843  245.197 9.3929  2.303436       13.27754 
1 1 1 -9  -13 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -13 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -13 16 o 70.650  1.9412  669.221   36.726    671.697   52.547    666.857   51.352    70.776  2.7718  70.523  2.7185  0.2538147      3.882474 
1 1 1 -9  -13 17 o 92.088  2.1912  1137.37   54.038    1145.81   77.252    1129.29   75.617    92.422  3.1207  91.755  3.0768  0.6668472      4.382391 
1 1 1 -9  -13 18 o 165.141 3.3306  3666.45   147.315   3652.86   209.230   3679.81   207.452   164.834 4.7390  165.449 4.6813  -0.6147003     6.661289 
1 1 1 -9  -13 19 f 107.976 2.4403  1565.79   70.525    1522.52   100.686   1607.47   98.815    106.505 3.5295  109.447 3.3708  -2.941719      4.880520 
1 1 1 -9  -13 20 o 107.920 2.4612  1563.52   71.121    1551.44   101.671   1575.09   99.523    107.508 3.5307  108.332 3.4299  -0.8230133     4.922425 
1 1 1 -9  -13 21 o 60.160  1.9512  484.743   31.409    499.403   45.679    471.595   43.259    61.021  2.7948  59.300  2.7236  1.721050       3.902388 
1 1 1 -9  -13 22 o 145.863 3.0545  2859.40   119.316   2931.96   169.681   2788.43   167.812   147.697 4.2891  144.030 4.3499  3.667877       6.108902 
1 1 1 -9  -13 23 o 78.574  2.1345  828.073   44.913    853.289   64.174    803.865   62.879    79.747  3.0044  77.402  3.0330  2.345360       4.269094 
1 1 1 -9  -13 24 o 113.198 2.5778  1721.01   78.152    1753.59   111.041   1689.04   110.012   114.261 3.6283  112.135 3.6628  2.125923       5.155598 
1 1 1 -9  -13 25 o 126.409 2.7772  2148.11   94.021    2194.99   133.432   2101.89   132.503   127.782 3.8986  125.035 3.9564  2.746262       5.554475 
1 1 1 -9  -13 26 o 64.422  2.0544  557.268   35.439    551.135   50.542    563.199   49.707    64.071  2.9451  64.773  2.8650  -0.7017593     4.108773 
1 1 1 -9  -13 27 o 55.626  2.0590  416.722   30.566    416.179   43.602    417.247   42.860    55.587  2.9389  55.665  2.8845  -0.7732010E-01 4.118008 
1 1 1 -9  -13 28 o 116.005 2.6801  1812.95   83.261    1847.83   117.551   1777.83   117.946   117.132 3.7468  114.877 3.8332  2.255051       5.360208 
1 1 1 -9  -13 29 f 31.117  3.1347  126.117   23.562    153.152   43.733    115.059   27.969    33.245  5.0718  28.988  3.6855  4.257446       6.269462 
1 1 1 -9  -13 30 o 29.460  4.5070  120.221   34.433    120.221   34.433    0.0000    0.0000    29.460  4.5070  ?       ?       ?              ?        
1 1 1 -9  -13 31 o 52.869  2.0827  378.193   29.341    389.203   40.938    366.563   42.074    53.677  2.8577  52.060  3.0304  1.617348       4.165333 
1 1 1 -9  -13 32 o 74.317  2.2389  746.413   44.551    757.666   62.472    734.767   63.552    74.898  3.1140  73.736  3.2178  1.161545       4.477872 
1 1 1 -9  -13 33 o 67.744  2.1975  621.161   39.850    630.080   55.657    611.781   57.082    68.257  3.0443  67.231  3.1698  1.025948       4.394947 
1 1 1 -9  -13 34 o 61.781  2.1817  517.989   36.020    521.040   50.226    514.758   51.685    62.021  3.0234  61.540  3.1461  0.4809151      4.363398 
1 1 1 -9  -13 35 o 10.169  2.5459  1.6704    11.825    26.674    15.425    -33.9700  18.416    13.794  3.9643  6.5439  3.1956  7.250567       5.091864 
1 1 1 -9  -13 36 o 38.259  2.3867  203.680   23.797    236.898   33.106    168.171   34.229    41.656  2.9870  34.862  3.7232  6.793434       4.773311 
1 1 1 -9  -13 37 o 49.003  2.3312  331.342   30.220    354.686   41.546    305.116   44.037    50.935  3.0595  47.071  3.5182  3.863846       4.662437 
1 1 1 -9  -13 38 o 34.116  2.5842  163.471   22.978    180.316   31.628    144.643   33.438    36.129  3.3049  32.102  3.9737  4.026901       5.168484 
1 1 1 -9  -13 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -13 40 o 22.670  2.7395  70.810    15.571    85.992    26.091    62.411    19.406    24.423  4.1361  20.917  3.5932  3.506132       5.478909 
1 1 1 -9  -13 41 o 37.819  2.3288  199.230   22.740    205.814   36.735    195.141   28.955    38.142  3.6400  37.496  2.9058  0.6459122      4.657554 
1 1 1 -9  -13 42 f 24.011  2.8272  82.521    17.083    92.148    28.066    76.855    21.531    24.937  4.3606  23.085  3.5996  1.852646       5.654371 
1 1 1 -9  -13 43 o 19.705  3.2223  58.535    15.877    61.862    27.897    56.941    19.310    19.788  5.1966  19.622  3.8115  0.1665936      6.444606 
1 1 1 -9  -13 44 o 46.375  2.3221  300.322   28.131    345.691   45.289    271.822   35.895    48.997  3.4735  43.753  3.0827  5.243786       4.644125 
1 1 1 -9  -13 45 o 25.224  3.0905  87.265    19.252    163.022   32.760    47.299    23.795    33.262  3.7422  17.186  4.9193  16.07601       6.180904 
1 1 1 -9  -13 46 o 6.6386  2.2935  -27.1183  12.375    -29.5574  21.508    -25.9111  15.131    7.3613  3.5617  5.9158  2.8905  1.445530       4.587032 
1 1 1 -9  -13 47 o 30.083  3.4003  145.531   26.244    142.102   39.303    148.290   35.257    29.364  5.1867  30.802  4.3983  -1.437321      6.800508 
1 1 1 -9  -13 48 o 16.614  3.4661  34.603    16.695    86.919    31.570    14.294    19.670    22.263  5.3588  10.965  4.3975  11.29810       6.932176 
1 1 1 -9  -12 1  o 231.615 6.3013  7221.90   390.917   0.0000    0.0000    7221.90   390.917   ?       ?       231.615 6.3013  ?              ?        
1 1 1 -9  -12 2  o 262.750 5.0553  9307.21   355.680   9067.81   503.300   9546.05   502.716   259.351 7.2452  266.148 7.0520  -6.797394      10.11054 
1 1 1 -9  -12 3  o 108.716 2.4230  1585.15   70.554    1578.88   99.922    1591.39   99.636    108.501 3.4383  108.931 3.4149  -0.4301834     4.845936 
1 1 1 -9  -12 4  o 67.169  1.9011  604.792   34.200    611.624   48.255    597.896   48.477    67.551  2.6670  66.788  2.7099  0.7632904      3.802147 
1 1 1 -9  -12 5  o 89.246  2.1270  1067.75   50.843    1059.33   71.671    1076.28   72.138    88.892  3.0102  89.600  3.0059  -0.7082596     4.253982 
1 1 1 -9  -12 6  o 142.796 2.8998  2735.97   110.897   2678.45   156.438   2794.08   157.230   141.285 4.1339  144.307 4.0678  -3.021805      5.799654 
1 1 1 -9  -12 7  o 193.747 3.7580  5043.16   195.019   5058.70   275.380   5027.53   276.220   194.049 5.2982  193.446 5.3310  0.6025238      7.516026 
1 1 1 -9  -12 8  o 170.453 3.3779  3901.37   154.206   3951.89   217.638   3850.44   218.525   171.565 4.7361  169.341 4.8178  2.223770       6.755848 
1 1 1 -9  -12 9  o 135.742 2.7737  2471.90   100.845   2455.81   142.158   2488.19   143.079   135.297 3.9228  136.186 3.9224  -0.8891907     5.547401 
1 1 1 -9  -12 10 o 279.728 5.2787  10547.34  395.494   10628.64  559.011   10465.87  559.616   280.815 7.4321  278.641 7.4982  2.174469       10.55741 
1 1 1 -9  -12 11 o 189.192 3.6927  4809.33   187.121   4758.60   264.258   4860.34   265.002   188.189 5.2426  190.195 5.2019  -2.005997      7.385405 
1 1 1 -9  -12 12 o 140.591 2.9094  2653.07   109.542   2704.77   154.770   2601.16   155.063   141.967 4.0701  139.215 4.1585  2.751984       5.818844 
1 1 1 -9  -12 13 o 138.725 2.8510  2583.39   105.890   2677.18   149.959   2490.12   149.543   141.242 3.9639  136.209 4.0990  5.033569       5.702080 
1 1 1 -9  -12 14 o 120.873 2.5853  1960.16   83.698    1983.10   118.795   1937.54   117.942   121.576 3.6481  120.171 3.6642  1.405548       5.170581 
1 1 1 -9  -12 15 f 311.333 5.8614  13108.31  488.782   13128.45  691.866   13088.24  690.619   311.571 8.2904  311.095 8.2881  0.4766846      11.72279 
1 1 1 -9  -12 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -12 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -12 18 o 175.171 3.4670  4125.41   162.666   4150.80   231.163   4100.51   228.941   175.703 4.9119  174.638 4.8944  1.065231       6.934094 
1 1 1 -9  -12 19 o 204.136 3.9921  5611.02   218.236   5758.32   309.874   5466.05   307.405   206.804 5.5942  201.468 5.6966  5.336319       7.984115 
1 1 1 -9  -12 20 o 188.465 3.7425  4781.11   188.895   4720.25   268.041   4841.16   266.243   187.264 5.3439  189.665 5.2408  -2.401672      7.484901 
1 1 1 -9  -12 21 o 141.370 2.9792  2685.44   112.802   2671.29   160.309   2699.32   158.754   140.998 4.2448  141.743 4.1815  -0.7446289     5.958479 
1 1 1 -9  -12 22 o 43.367  2.0635  255.079   23.662    229.299   34.203    278.743   32.769    41.223  3.1208  45.511  2.7003  -4.287785      4.126901 
1 1 1 -9  -12 23 f 5.1210  2.5724  -76.4090  10.767    -102.9862 14.866    -47.0835  15.616    ?       ?       5.1210  2.5724  ?              ?        
1 1 1 -9  -12 24 o 177.471 3.5639  4240.64   169.393   4315.86   239.805   4165.72   239.311   179.050 5.0003  175.893 5.0795  3.156525       7.127738 
1 1 1 -9  -12 25 o 56.039  2.0378  422.271   30.503    411.883   43.676    432.163   42.620    55.323  2.9582  56.755  2.8036  -1.431828      4.075678 
1 1 1 -9  -12 26 o 64.689  2.0859  561.842   36.092    600.172   51.373    524.482   50.718    66.873  2.8681  62.506  3.0294  4.366505       4.171719 
1 1 1 -9  -12 27 o 117.914 2.7116  1870.88   85.609    1920.61   120.771   1820.66   121.372   119.498 3.7732  116.331 3.8952  3.167366       5.423110 
1 1 1 -9  -12 28 o 136.068 2.9575  2495.76   107.768   2535.03   151.798   2455.85   153.024   137.158 4.1320  134.978 4.2326  2.179443       5.915064 
1 1 1 -9  -12 29 o 92.207  2.3705  1143.98   58.539    1125.40   82.077    1163.21   83.515    91.446  3.3510  92.969  3.3538  -1.523285      4.741012 
1 1 1 -9  -12 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -12 31 o 58.195  2.1195  457.154   32.947    467.637   46.046    446.158   47.161    58.928  2.9173  57.461  3.0754  1.467312       4.238972 
1 1 1 -9  -12 32 o 88.471  2.3836  1060.80   56.316    1134.46   78.783    983.836   80.533    91.658  3.2090  85.284  3.5255  6.374016       4.767271 
1 1 1 -9  -12 33 f 35.095  2.2455  167.848   20.868    166.260   28.969    169.560   30.085    34.930  3.1296  35.260  3.2211  -0.3298111     4.491089 
1 1 1 -9  -12 34 o 49.718  2.1641  336.722   28.597    350.150   39.535    321.988   41.414    50.796  2.9181  48.639  3.1967  2.157085       4.328250 
1 1 1 -9  -12 35 o 51.192  2.1961  356.134   29.925    330.569   41.376    384.173   43.332    49.250  3.1531  53.134  3.0576  -3.883904      4.392175 
1 1 1 -9  -12 36 o 16.335  3.1051  38.815    15.398    58.646    20.451    12.858    23.398    20.368  3.8906  12.302  4.8405  8.066259       6.210281 
1 1 1 -9  -12 37 o 15.284  2.8819  34.756    12.347    21.639    19.788    43.119    15.800    13.110  4.5788  17.458  3.5007  -4.348007      5.763723 
1 1 1 -9  -12 38 o 41.237  2.1167  229.121   22.945    259.053   35.974    208.595   29.791    43.441  3.1123  39.034  2.8695  4.407928       4.233304 
1 1 1 -9  -12 39 o 30.871  5.0989  138.627   40.689    0.0000    0.0000    138.627   40.689    ?       ?       30.871  5.0989  ?              ?        
1 1 1 -9  -12 40 o 17.866  3.0096  45.978    13.531    48.239    23.790    44.897    16.450    18.048  4.8272  17.683  3.5956  0.3648853      6.019178 
1 1 1 -9  -12 41 o 49.693  2.2144  340.758   28.878    358.188   45.361    328.880   37.447    50.617  3.3650  48.769  2.8795  1.847385       4.428827 
1 1 1 -9  -12 42 o 31.305  2.6761  147.370   20.496    114.238   32.505    169.238   26.408    27.761  4.5276  34.849  2.8542  -7.087784      5.352134 
1 1 1 -9  -12 43 o 53.125  2.2849  398.267   31.860    403.754   49.611    394.416   41.565    53.193  3.5016  53.056  2.9362  0.1364746      4.569752 
1 1 1 -9  -12 44 o 19.339  3.2369  61.915    16.534    41.848    27.423    73.376    20.724    16.303  5.3949  22.376  3.5784  -6.072777      6.473780 
1 1 1 -9  -12 45 o 30.150  2.9134  139.903   21.487    122.811   35.318    149.947   27.073    27.983  4.8900  32.317  3.1684  -4.333555      5.826799 
1 1 1 -9  -12 46 f 18.480  3.5450  54.015    17.279    60.873    29.887    50.572    21.176    19.025  5.5330  17.935  4.4334  1.089596       7.090042 
1 1 1 -9  -12 47 o 13.552  6.3191  -7.5713   56.227    -7.5713   56.227    0.0000    0.0000    13.552  6.3191  ?       ?       ?              ?        
1 1 1 -9  -12 48 o 8.3034  2.5922  -7.2890   13.132    -58.2987  25.991    10.194    15.217    6.8920  3.4411  9.7148  3.8778  -2.822767      5.184407 
1 1 1 -9  -11 1  o 419.937 7.8861  23935.81  886.962   23624.17  1254.78   24247.03  1253.93   417.166 11.230  422.708 11.075  -5.541321      15.77220 
1 1 1 -9  -11 2  o 192.014 3.7979  4953.06   195.291   4846.73   276.462   5058.95   275.904   189.951 5.4338  194.078 5.3075  -4.127472      7.595807 
1 1 1 -9  -11 3  o 158.406 3.1951  3367.11   135.564   3387.21   191.887   3347.08   191.548   158.878 4.5091  157.933 4.5281  0.9450378      6.390288 
1 1 1 -9  -11 4  o 122.535 2.6290  2013.74   86.267    2060.51   121.958   1966.91   122.043   123.962 3.6731  121.109 3.7622  2.852249       5.257963 
1 1 1 -9  -11 5  o 123.232 2.6244  2036.25   86.622    2025.08   122.225   2047.53   122.782   122.892 3.7132  123.571 3.7096  -0.6794968     5.248713 
1 1 1 -9  -11 6  f 140.289 2.8635  2639.67   107.595   2654.68   151.758   2624.51   152.570   140.691 4.0271  139.887 4.0719  0.8039551      5.727005 
1 1 1 -9  -11 7  o 324.969 6.0749  14235.23  528.717   14459.60  747.401   14010.49  748.036   327.550 8.5190  322.388 8.6627  5.161377       12.14971 
1 1 1 -9  -11 8  o 235.693 4.4833  7467.03   282.945   7239.73   399.496   7695.81   400.797   232.082 6.4266  239.304 6.2530  -7.221588      8.966653 
1 1 1 -9  -11 9  o 57.887  1.7418  449.079   26.997    452.024   37.771    446.003   38.602    58.081  2.4279  57.692  2.4981  0.3890076      3.483571 
1 1 1 -9  -11 10 o 226.998 4.3323  6925.25   263.404   6942.06   372.185   6908.38   372.834   227.275 6.1139  226.720 6.1396  0.5553436      8.664519 
1 1 1 -9  -11 11 o 130.153 2.6773  2272.13   93.322    2311.72   131.823   2232.35   132.131   131.292 3.7486  129.014 3.8237  2.277252       5.354638 
1 1 1 -9  -11 12 o 210.667 4.0585  5964.91   228.956   6114.10   323.988   5816.09   323.598   213.308 5.6707  208.027 5.8076  5.280487       8.116940 
1 1 1 -9  -11 13 o 169.076 3.3833  3838.18   153.220   3859.23   217.111   3817.28   216.262   169.539 4.7811  168.614 4.7885  0.9246826      6.766686 
1 1 1 -9  -11 14 o 203.473 3.9334  5564.98   214.366   5615.25   303.836   5515.17   302.486   204.389 5.5500  202.556 5.5753  1.832916       7.866815 
1 1 1 -9  -11 15 o 87.048  2.1233  1015.97   49.490    1015.65   70.902    1016.27   69.110    87.033  3.0415  87.062  2.9636  -0.2907562E-01 4.246611 
1 1 1 -9  -11 16 o 160.195 3.2325  3447.09   138.684   3414.07   197.079   3479.49   195.191   159.431 4.6151  160.960 4.5274  -1.529022      6.465032 
1 1 1 -9  -11 17 o 102.920 2.3345  1420.13   64.337    1466.29   92.097    1376.12   89.914    104.554 3.2886  101.287 3.3143  3.267082       4.668994 
1 1 1 -9  -11 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -11 19 o 213.545 4.1147  6141.45   235.250   6375.03   333.801   5910.94   331.597   217.598 5.7272  209.492 5.9095  8.106049       8.229443 
1 1 1 -9  -11 20 o 191.310 3.7737  4925.72   193.312   5087.33   274.247   4766.13   272.531   194.441 5.2658  188.178 5.4070  6.262589       7.547484 
1 1 1 -9  -11 21 o 170.326 3.4270  3901.52   156.340   3937.41   221.534   3865.92   220.665   171.108 4.8337  169.544 4.8592  1.564163       6.853939 
1 1 1 -9  -11 22 o 125.734 2.7553  2123.12   92.785    2158.65   131.569   2087.98   130.870   126.782 3.8744  124.685 3.9186  2.096497       5.510621 
1 1 1 -9  -11 23 o 111.449 2.5601  1667.86   76.407    1627.35   108.059   1708.37   108.051   110.092 3.6645  112.806 3.5761  -2.714256      5.120274 
1 1 1 -9  -11 24 o 190.460 3.8125  4886.37   194.483   4825.02   274.757   4947.98   275.324   189.256 5.4201  191.664 5.3631  -2.408035      7.625004 
1 1 1 -9  -11 25 o 130.557 2.8463  2291.63   99.485    2366.61   140.412   2216.04   140.977   132.711 3.9501  128.403 4.0990  4.307617       5.692583 
1 1 1 -9  -11 26 o 106.846 2.5393  1533.77   72.662    1547.96   102.312   1519.34   103.214   107.348 3.5583  106.345 3.6235  1.002838       5.078526 
1 1 1 -9  -11 27 o 83.698  2.2702  941.747   50.844    978.097   71.378    904.305   72.442    85.345  3.1225  82.050  3.2963  3.295113       4.540397 
1 1 1 -9  -11 28 o 86.871  2.3241  1013.89   54.064    981.544   75.700    1047.57   77.238    85.456  3.3072  88.287  3.2662  -2.831337      4.648225 
1 1 1 -9  -11 29 o 175.669 3.6231  4176.92   170.453   4224.63   240.020   4128.38   242.107   176.699 5.0713  174.638 5.1758  2.061554       7.246226 
1 1 1 -9  -11 30 o 106.786 3.7329  1537.56   106.770   0.0000    0.0000    1537.56   106.770   ?       ?       106.786 3.7329  ?              ?        
1 1 1 -9  -11 31 o 37.236  3.0892  195.318   26.375    201.337   30.990    179.503   50.233    38.550  3.0255  35.922  5.3869  2.628159       6.178373 
1 1 1 -9  -11 32 o 63.661  2.1706  546.415   36.979    542.768   51.131    550.415   53.543    63.447  3.0088  63.875  3.1296  -0.4277878     4.341296 
1 1 1 -9  -11 33 o 23.847  2.6931  80.059    16.402    88.495    22.259    70.037    24.261    25.359  3.3597  22.335  4.2099  3.024141       5.386192 
1 1 1 -9  -11 34 o 36.087  2.2851  177.136   21.794    161.057   29.887    195.396   31.850    34.318  3.2918  37.855  3.1703  -3.537170      4.570230 
1 1 1 -9  -11 35 f 35.146  2.0946  169.738   19.237    160.469   29.355    176.714   25.467    34.231  3.2402  36.062  2.6553  -1.830696      4.189203 
1 1 1 -9  -11 36 o 27.717  2.2537  102.542   16.160    126.786   25.701    86.690    20.782    30.372  3.2078  25.063  3.1664  5.308384       4.507339 
1 1 1 -9  -11 37 o 41.208  2.0878  227.340   22.626    263.468   35.450    202.507   29.390    43.906  3.0330  38.510  2.8699  5.396313       4.175568 
1 1 1 -9  -11 38 o 45.765  2.1120  286.357   25.457    288.837   39.076    284.529   33.555    45.865  3.2009  45.666  2.7562  0.1995659      4.224012 
1 1 1 -9  -11 39 o 18.850  2.9737  52.775    14.221    45.216    23.671    57.044    17.789    17.599  4.8609  20.101  3.4269  -2.502457      5.947464 
1 1 1 -9  -11 40 o 14.549  2.9401  31.959    13.544    6.5194    22.532    46.352    16.948    11.129  4.6133  17.969  3.6460  -6.839754      5.880145 
1 1 1 -9  -11 41 o 14.989  2.9513  34.971    13.815    8.0529    23.133    49.891    17.223    11.364  4.6896  18.615  3.5843  -7.251191      5.902507 
1 1 1 -9  -11 42 f 21.947  2.9413  65.498    16.160    96.953    27.488    48.883    19.977    25.763  4.1224  18.132  4.1965  7.631701       5.882597 
1 1 1 -9  -11 43 o 14.850  3.2761  33.750    14.398    26.004    24.729    37.723    17.709    13.864  5.0855  15.836  4.1314  -1.972671      6.552151 
1 1 1 -9  -11 44 o 17.830  3.3259  51.296    15.769    41.821    27.868    55.759    19.125    16.319  5.4404  19.340  3.8274  -3.020901      6.651813 
1 1 1 -9  -11 45 o 21.614  3.1577  66.204    17.091    98.482    29.610    50.076    20.930    25.271  4.5414  17.956  4.3887  7.314503       6.315482 
1 1 1 -9  -11 46 o 23.735  3.2756  88.624    19.273    86.816    32.302    89.624    24.016    22.971  5.3497  24.500  3.7814  -1.528708      6.551198 
1 1 1 -9  -11 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -11 48 o 8.9190  2.8495  -11.5575  13.211    13.949    24.860    -21.5951  15.595    11.570  4.8250  6.2680  3.0328  5.301884       5.699003 
1 1 1 -9  -10 1  o 269.268 5.0621  9751.02   365.094   9739.89   516.877   9762.10   515.766   269.113 7.1707  269.423 7.1471  -0.3103638     10.12424 
1 1 1 -9  -10 2  o 59.785  1.8063  478.922   28.922    487.176   40.958    470.715   40.845    60.299  2.5360  59.271  2.5728  1.027859       3.612572 
1 1 1 -9  -10 3  o 81.204  2.0251  883.611   44.045    883.568   62.249    883.653   62.330    81.202  2.8621  81.205  2.8657  -0.3837585E-02 4.050113 
1 1 1 -9  -10 4  o 167.861 3.3269  3779.27   149.579   3745.57   211.365   3813.07   211.709   167.111 4.7221  168.611 4.6877  -1.500793      6.653843 
1 1 1 -9  -10 5  f 261.560 4.9031  9191.40   343.484   9306.18   485.539   9076.41   485.979   263.200 6.8873  259.919 6.9806  3.280579       9.806279 
1 1 1 -9  -10 6  o 175.876 3.4228  4148.82   161.231   4079.49   227.508   4218.77   228.524   174.399 4.8704  177.354 4.8106  -2.955368      6.845652 
1 1 1 -9  -10 7  o 316.823 5.9494  13504.27  504.862   13588.05  713.555   13420.28  714.411   317.812 8.3824  315.834 8.4450  1.978638       11.89885 
1 1 1 -9  -10 8  o 308.335 5.7852  12789.35  477.715   13027.91  675.388   12550.49  675.795   311.225 8.1019  305.444 8.2603  5.781708       11.57037 
1 1 1 -9  -10 9  o 132.983 2.7476  2371.07   97.857    2402.84   138.066   2339.01   138.717   133.880 3.8502  132.087 3.9209  1.792770       5.495196 
1 1 1 -9  -10 10 o 153.018 3.0515  3140.05   125.056   3081.65   176.587   3198.82   177.125   151.589 4.3491  154.447 4.2817  -2.858322      6.103090 
1 1 1 -9  -10 11 o 165.172 3.2661  3659.71   144.494   3686.52   204.438   3632.94   204.252   165.777 4.6041  164.566 4.6338  1.210861       6.532223 
1 1 1 -9  -10 12 o 63.739  1.7930  544.190   30.602    562.183   43.700    526.875   42.869    64.773  2.5188  62.706  2.5524  2.067474       3.585972 
1 1 1 -9  -10 13 o 165.087 3.2886  3657.08   145.403   3724.57   206.330   3590.49   204.939   166.602 4.6237  163.572 4.6776  3.030182       6.577157 
1 1 1 -9  -10 14 o 103.426 2.3106  1433.58   63.952    1519.18   91.408    1351.52   89.506    106.451 3.2059  100.401 3.3283  6.049942       4.621209 
1 1 1 -9  -10 15 f 118.126 2.5460  1870.96   80.545    1909.92   114.962   1833.40   112.881   119.334 3.5967  116.919 3.6045  2.415321       5.092014 
1 1 1 -9  -10 16 o 159.715 3.2156  3424.56   137.553   3466.46   195.676   3383.62   193.402   160.681 4.5466  158.749 4.5484  1.931686       6.431141 
1 1 1 -9  -10 17 o 144.723 2.9657  2811.71   114.951   2805.58   163.573   2817.68   161.576   144.565 4.2243  144.881 4.1637  -0.3163605     5.931362 
1 1 1 -9  -10 18 o 336.141 6.3503  15308.68  571.733   15202.47  809.308   15414.50  807.799   334.960 9.0205  337.322 8.9406  -2.362244      12.70059 
1 1 1 -9  -10 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -10 20 o 124.057 2.7177  2066.38   90.291    2032.91   127.993   2099.54   127.391   123.053 3.8833  125.060 3.8030  -2.006561      5.435378 
1 1 1 -9  -10 21 o 201.708 3.9909  5478.94   215.619   5477.10   305.003   5480.77   304.860   201.674 5.6463  201.743 5.6417  -0.6842041E-01 7.981857 
1 1 1 -9  -10 22 o 40.723  1.9488  223.529   21.112    234.524   29.889    212.580   29.825    41.733  2.6882  39.713  2.8223  2.020714       3.897631 
1 1 1 -9  -10 23 o 160.510 3.2998  3464.45   141.856   3416.50   200.234   3512.77   200.998   159.391 4.6901  161.628 4.6429  -2.236984      6.599510 
1 1 1 -9  -10 24 o 131.245 2.8728  2315.15   100.948   2383.57   142.398   2246.02   143.131   133.202 3.9912  129.287 4.1332  3.914780       5.745690 
1 1 1 -9  -10 25 o 169.920 3.4886  3886.00   158.771   3846.58   223.700   3926.02   225.381   169.051 4.9404  170.790 4.9268  -1.738998      6.977158 
1 1 1 -9  -10 26 o 82.434  2.2550  912.221   49.780    915.429   69.813    908.904   71.003    82.584  3.1561  82.285  3.2216  0.2987289      4.509930 
1 1 1 -9  -10 27 o 164.355 3.4106  3639.94   150.116   3690.47   211.423   3588.56   213.180   165.517 4.7689  163.194 4.8770  2.323212       6.821128 
1 1 1 -9  -10 28 o 56.213  2.0956  425.203   31.429    414.576   43.727    436.562   45.205    55.486  2.9529  56.940  2.9743  -1.454121      4.191204 
1 1 1 -9  -10 29 o 84.000  2.3134  949.437   52.008    972.405   72.711    925.379   74.419    85.048  3.1919  82.951  3.3494  2.097954       4.626756 
1 1 1 -9  -10 30 o 123.235 2.8396  2049.39   93.693    2069.72   131.061   2028.14   133.992   123.875 3.9500  122.595 4.0805  1.279732       5.679233 
1 1 1 -9  -10 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -10 32 o 78.359  2.3003  827.786   48.253    808.661   66.908    848.513   69.653    77.421  3.2265  79.297  3.2794  -1.875145      4.600529 
1 1 1 -9  -10 33 o 28.422  2.0932  108.433   15.562    123.799   24.035    97.342    20.419    30.136  3.0183  26.707  2.9011  3.428522       4.186445 
1 1 1 -9  -10 34 o 6.8300  2.1455  -5.6216   8.2628    -20.5150  14.249    1.9243    10.142    6.1929  2.9718  7.4670  3.0952  -1.274093      4.290904 
1 1 1 -9  -10 35 o 65.577  2.0747  579.266   36.310    617.449   54.216    548.210   48.896    67.510  2.9983  63.643  2.8683  3.866825       4.149337 
1 1 1 -9  -10 36 o 11.853  2.7631  18.568    10.713    6.5904    17.715    25.475    13.453    10.267  4.1537  13.438  3.6451  -3.170723      5.526293 
1 1 1 -9  -10 37 o 53.432  2.0873  388.308   29.484    395.050   44.985    383.230   39.038    53.779  3.1365  53.085  2.7550  0.6943207      4.174680 
1 1 1 -9  -10 38 o 18.953  2.8368  48.938    13.685    64.352    22.413    39.777    17.280    21.246  4.0870  16.661  3.9351  4.585085       5.673542 
1 1 1 -9  -10 39 o 13.726  3.0240  22.589    12.222    39.907    20.899    13.589    15.067    16.592  4.5611  10.860  3.9717  5.732042       6.047993 
1 1 1 -9  -10 40 o 22.043  3.0736  70.563    17.453    70.555    25.739    70.570    23.746    21.978  4.5232  22.108  4.1628  -0.1298523     6.147228 
1 1 1 -9  -10 41 o 24.859  2.6938  84.271    16.904    108.364   28.147    70.677    21.142    27.503  3.9328  22.214  3.6822  5.288643       5.387577 
1 1 1 -9  -10 42 o 51.080  2.2689  362.551   30.396    380.896   47.828    350.122   39.369    51.984  3.4546  50.177  2.9422  1.807362       4.537706 
1 1 1 -9  -10 43 o 9.9592  2.9486  5.1618    12.278    7.3888    22.394    4.2045    14.682    10.973  4.5780  8.9456  3.7174  2.027052       5.897219 
1 1 1 -9  -10 44 o 10.034  2.9046  -2.3517   12.943    23.592    21.967    -16.1465  16.018    13.134  4.7969  6.9335  3.2766  6.200688       5.809111 
1 1 1 -9  -10 45 o 17.818  3.1544  36.612    15.885    94.437    29.225    12.364    18.925    24.717  4.5833  10.920  4.3354  13.79616       6.308865 
1 1 1 -9  -10 46 o 19.479  3.3127  67.203    17.687    34.728    30.394    83.832    21.749    15.102  5.6201  23.855  3.5087  -8.753032      6.625415 
1 1 1 -9  -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -10 48 o 9.4980  3.0193  -1.6589   14.928    0.2407    26.860    -2.5078   17.956    10.445  4.6734  8.5514  3.8241  1.893246       6.038555 
1 1 1 -9  -9  1  o 371.624 6.9105  18600.22  687.806   18323.54  973.003   18876.56  972.407   368.846 9.8487  374.403 9.6966  -5.557129      13.82107 
1 1 1 -9  -9  2  o 429.697 7.9551  24898.61  915.474   25346.96  1295.33   24451.16  1294.02   433.587 11.154  425.806 11.346  7.780273       15.91016 
1 1 1 -9  -9  3  o 161.340 3.2096  3490.16   138.675   3571.83   196.216   3408.66   196.016   163.228 4.4880  159.452 4.5896  3.775787       6.419208 
1 1 1 -9  -9  4  o 216.411 4.1774  6282.82   242.141   6303.13   342.232   6262.46   342.646   216.762 5.8945  216.060 5.9208  0.7020111      8.354742 
1 1 1 -9  -9  5  o 258.352 4.8565  8958.80   336.066   8937.78   474.848   8979.88   475.691   258.048 6.8701  258.655 6.8662  -0.6073914     9.713030 
1 1 1 -9  -9  6  o 121.270 2.5714  1971.01   83.514    1992.68   117.641   1949.00   118.579   121.943 3.6018  120.598 3.6709  1.345261       5.142811 
1 1 1 -9  -9  7  o 387.303 7.1271  20185.98  739.349   20194.20  1045.17   20177.76  1046.03   387.383 10.073  387.223 10.085  0.1599426      14.25412 
1 1 1 -9  -9  8  o 170.768 3.3269  3909.66   152.165   3862.14   214.809   3957.53   215.580   169.726 4.7251  171.811 4.6846  -2.084717      6.653733 
1 1 1 -9  -9  9  o 181.686 3.5200  4426.55   171.294   4461.21   242.041   4391.76   242.454   182.400 4.9542  180.972 5.0018  1.427536       7.040070 
1 1 1 -9  -9  10 o 282.213 5.2932  10699.83  400.066   10900.77  565.974   10499.16  565.584   284.869 7.4176  279.557 7.5533  5.312347       10.58647 
1 1 1 -9  -9  11 f 95.119  2.1652  1212.35   55.162    1213.20   78.335    1211.52   77.691    95.151  3.0736  95.086  3.0505  0.6569672E-01  4.330441 
1 1 1 -9  -9  12 o 93.046  2.1597  1159.80   53.815    1188.26   76.858    1132.42   75.374    94.166  3.0473  91.927  3.0612  2.239319       4.319336 
1 1 1 -9  -9  13 o 109.072 2.4165  1595.48   70.560    1557.75   100.651   1631.95   98.945    107.801 3.4858  110.343 3.3478  -2.541260      4.833096 
1 1 1 -9  -9  14 o 205.465 3.9986  5668.57   220.044   5759.95   312.325   5578.50   310.068   207.111 5.6301  203.818 5.6797  3.293076       7.997271 
1 1 1 -9  -9  15 o 36.563  1.7594  179.390   17.100    192.546   25.000    167.824   23.440    37.825  2.4813  35.301  2.4951  2.524151       3.518899 
1 1 1 -9  -9  16 o 409.307 7.7038  22726.49  844.509   22395.67  1195.04   23056.52  1193.59   406.290 10.981  412.324 10.808  -6.034271      15.40762 
1 1 1 -9  -9  17 o 69.690  1.9591  650.543   36.544    686.156   52.409    616.840   50.983    71.546  2.7348  67.834  2.8060  3.711624       3.918283 
1 1 1 -9  -9  18 o 245.761 4.7270  8137.95   311.133   8013.33   440.275   8262.28   439.743   243.869 6.7403  247.653 6.6293  -3.783630      9.454039 
1 1 1 -9  -9  19 o 156.142 3.2022  3275.39   133.894   3195.61   189.398   3355.10   189.312   154.235 4.5846  158.049 4.4720  -3.813736      6.404466 
1 1 1 -9  -9  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -9  21 o 64.469  1.9647  557.375   33.922    566.256   47.963    548.487   47.982    64.983  2.7556  63.954  2.8011  1.029015       3.929302 
1 1 1 -9  -9  22 o 220.160 4.3245  6534.31   255.008   6481.59   360.083   6587.35   361.192   219.265 6.1312  221.054 6.1003  -1.789017      8.648975 
1 1 1 -9  -9  23 o 111.085 2.5617  1656.55   76.216    1649.50   107.177   1663.75   108.405   110.847 3.6098  111.323 3.6356  -0.4758072     5.123338 
1 1 1 -9  -9  24 o 37.558  2.1130  190.087   21.061    182.287   29.039    198.742   30.591    36.742  2.9763  38.373  3.0002  -1.630692      4.226020 
1 1 1 -9  -9  25 o 15.195  3.0566  32.235    13.617    42.759    18.087    18.467    20.689    17.496  3.9528  12.895  4.6634  4.600802       6.113297 
1 1 1 -9  -9  26 o 149.828 3.1673  3020.50   127.068   3080.64   178.718   2959.03   180.702   151.347 4.4086  148.310 4.5489  3.037567       6.334698 
1 1 1 -9  -9  27 o 163.869 3.3966  3616.16   149.074   3556.93   209.560   3676.85   212.108   162.509 4.8144  165.230 4.7927  -2.721039      6.793264 
1 1 1 -9  -9  28 o 21.792  2.8353  65.979    15.906    67.216    21.841    64.582    23.212    22.041  3.8390  21.543  4.1733  0.4976730      5.670506 
1 1 1 -9  -9  29 o 62.902  2.1421  531.268   36.065    522.953   49.919    540.346   52.160    62.390  2.9872  63.413  3.0709  -1.023315      4.284155 
1 1 1 -9  -9  30 o 43.838  2.2087  258.945   25.631    225.374   35.251    296.601   37.334    40.801  3.2526  46.875  2.9891  -6.074577      4.417485 
1 1 1 -9  -9  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -9  32 o 42.208  1.9506  238.328   21.813    267.477   32.945    215.574   29.108    44.489  2.7786  39.927  2.7383  4.561871       3.901198 
1 1 1 -9  -9  33 o 69.210  2.0842  643.651   38.532    680.843   57.105    612.564   52.208    71.029  3.0016  67.392  2.8923  3.637291       4.168305 
1 1 1 -9  -9  34 f 31.911  2.0744  136.421   17.371    156.943   26.860    121.666   22.776    33.947  2.9844  29.876  2.8819  4.071129       4.148740 
1 1 1 -9  -9  35 o 42.897  2.0799  251.428   23.435    242.549   35.803    258.083   30.997    42.171  3.1934  43.624  2.6656  -1.453613      4.159713 
1 1 1 -9  -9  36 o 29.244  2.2392  118.462   16.834    112.700   26.428    122.395   21.836    28.545  3.5319  29.944  2.7535  -1.398157      4.478386 
1 1 1 -9  -9  37 o 34.466  2.1789  156.647   19.503    203.414   31.239    126.775   24.967    38.560  3.0495  30.371  3.1131  8.188477       4.357870 
1 1 1 -9  -9  38 o 21.130  2.7933  60.971    14.935    76.732    24.283    51.381    18.941    23.265  4.0436  18.994  3.8547  4.270658       5.586525 
1 1 1 -9  -9  39 o 43.540  2.1885  257.815   25.060    279.168   39.088    242.913   32.653    44.997  3.2654  42.084  2.9148  2.913177       4.377062 
1 1 1 -9  -9  40 o 64.050  3.4906  569.514   59.658    569.514   59.658    0.0000    0.0000    64.050  3.4906  ?       ?       ?              ?        
1 1 1 -9  -9  41 o 21.361  2.9822  65.845    15.902    69.475    26.586    63.823    19.843    21.619  4.7234  21.104  3.6419  0.5148621      5.964403 
1 1 1 -9  -9  42 o 13.321  3.2492  24.792    14.348    12.811    24.683    30.906    17.633    12.150  4.9073  14.492  4.2600  -2.342304      6.498418 
1 1 1 -9  -9  43 f 12.308  3.1791  18.774    13.142    23.854    22.272    16.060    16.279    13.320  4.8354  11.296  4.1287  2.024694       6.358228 
1 1 1 -9  -9  44 o 11.381  2.9890  2.1835    12.487    38.806    23.950    -11.4901  14.634    15.813  5.0274  6.9485  3.2345  8.864508       5.978014 
1 1 1 -9  -9  45 o 17.813  3.4262  51.500    16.337    44.627    29.077    54.671    19.750    16.636  5.5573  18.989  4.0088  -2.353277      6.852330 
1 1 1 -9  -9  46 o 18.413  3.5468  54.015    17.077    57.002    30.868    52.699    20.499    18.380  5.6883  18.445  4.2382  -0.6448364E-01 7.093613 
1 1 1 -9  -9  47 o 16.618  5.8669  47.409    32.543    47.409    32.543    0.0000    0.0000    16.618  5.8669  ?       ?       ?              ?        
1 1 1 -9  -9  48 o 13.425  3.5879  25.496    16.485    38.186    30.077    20.047    19.709    14.967  5.5865  11.884  4.5038  3.082857       7.175867 
1 1 1 -9  -8  1  o 344.375 6.4549  15943.65  595.133   15397.69  841.690   16489.49  841.601   338.457 9.2845  350.293 8.9699  -11.83667      12.90972 
1 1 1 -9  -8  2  o 160.578 3.1908  3456.77   137.182   3576.78   194.273   3337.43   193.738   163.360 4.4400  157.795 4.5839  5.564667       6.381610 
1 1 1 -9  -8  3  o 410.756 7.5589  22695.80  831.561   23033.03  1176.21   22358.81  1175.80   413.820 10.612  407.692 10.767  6.127502       15.11772 
1 1 1 -9  -8  4  o 500.210 9.1828  33720.78  1230.28   33998.14  1739.80   33443.37  1739.97   502.280 12.932  498.139 13.041  4.141083       18.36559 
1 1 1 -9  -8  5  f 199.344 3.8626  5327.73   206.237   5314.68   291.169   5340.86   292.159   199.100 5.4599  199.589 5.4650  -0.4895630     7.725111 
1 1 1 -9  -8  6  o 536.301 9.8662  38797.39  1417.16   38277.38  2003.30   39318.31  2005.05   532.680 14.041  539.922 13.865  -7.243042      19.73239 
1 1 1 -9  -8  7  o 71.221  1.8471  679.562   35.230    683.883   49.434    675.103   50.221    71.451  2.5830  70.990  2.6412  0.4605179      3.694298 
1 1 1 -9  -8  8  o 211.243 4.0220  5983.63   227.569   5962.88   321.545   6004.46   322.119   210.876 5.6928  211.611 5.6832  -0.7342224     8.044013 
1 1 1 -9  -8  9  f 94.251  2.1697  1190.17   54.770    1208.39   77.507    1172.00   77.408    94.971  3.0469  93.530  3.0899  1.441254       4.339480 
1 1 1 -9  -8  10 o 188.394 3.6312  4758.99   183.221   4699.88   259.427   4817.82   258.801   187.225 5.1732  189.563 5.0971  -2.337845      7.262419 
1 1 1 -9  -8  11 o 495.984 9.1739  33206.13  1218.68   32845.58  1723.89   33566.32  1723.04   493.270 13.048  498.697 12.899  -5.427124      18.34773 
1 1 1 -9  -8  12 o 38.578  1.7144  199.343   17.588    215.762   25.833    185.156   24.013    40.059  2.4190  37.097  2.4301  2.961582       3.428852 
1 1 1 -9  -8  13 o 261.685 4.9673  9199.43   348.112   9030.59   493.281   9366.94   491.332   259.284 7.1028  264.086 6.9461  -4.801758      9.934693 
1 1 1 -9  -8  14 o 324.377 6.0521  14162.44  525.823   14255.74  744.840   14069.74  742.416   325.445 8.5447  323.310 8.5731  2.135345       12.10416 
1 1 1 -9  -8  15 o 182.223 3.5755  4455.90   174.505   4509.74   247.660   4402.82   245.923   183.316 5.0439  181.129 5.0690  2.187836       7.150922 
1 1 1 -9  -8  16 o 227.166 4.3622  6935.90   265.422   6942.90   375.887   6928.93   374.841   227.280 6.1746  227.053 6.1636  0.2272949      8.724395 
1 1 1 -9  -8  17 o 313.353 5.9117  13250.32  496.172   13264.57  701.888   13236.08  701.500   313.522 8.3581  313.184 8.3625  0.3380737      11.82332 
1 1 1 -9  -8  18 o 197.641 3.9113  5252.06   206.992   5100.52   292.609   5403.86   292.852   194.776 5.6087  200.505 5.4530  -5.729538      7.822576 
1 1 1 -9  -8  19 o 86.421  2.1765  1001.64   50.367    970.786   71.068    1032.78   71.393    85.083  3.1185  87.760  3.0372  -2.677620      4.353089 
1 1 1 -9  -8  20 o 6.8406  3.1571  -11.0092  13.498    0.0000    0.0000    -11.0092  13.498    ?       ?       6.8406  3.1571  ?              ?        
1 1 1 -9  -8  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -8  22 o 62.246  1.9729  520.056   32.863    538.641   46.123    500.891   46.836    63.379  2.7170  61.113  2.8613  2.265461       3.945760 
1 1 1 -9  -8  23 o 81.036  2.1767  881.711   47.206    906.810   66.067    855.532   67.475    82.219  3.0000  79.854  3.1547  2.365379       4.353394 
1 1 1 -9  -8  24 o 111.684 2.5986  1675.59   77.696    1712.31   108.982   1637.64   110.799   112.935 3.6028  110.434 3.7458  2.501144       5.197230 
1 1 1 -9  -8  25 o 141.120 3.0687  2678.48   115.929   2751.48   162.870   2603.52   165.049   143.081 4.2498  139.159 4.4281  3.921463       6.137478 
1 1 1 -9  -8  26 o 99.748  2.4608  1335.04   65.723    1289.87   91.693    1382.77   94.254    98.013  3.4927  101.483 3.4675  -3.470047      4.921656 
1 1 1 -9  -8  27 o 118.726 2.7142  1894.14   86.296    1883.44   120.666   1905.33   123.464   118.386 3.8054  119.065 3.8714  -0.6789093     5.428464 
1 1 1 -9  -8  28 f 88.231  2.3615  1047.44   55.717    1089.54   77.709    1002.89   79.930    90.068  3.2212  86.393  3.4541  3.674301       4.723027 
1 1 1 -9  -8  29 o 65.710  2.0681  582.471   36.214    548.275   52.971    612.479   49.622    63.880  3.0959  67.540  2.7430  -3.660275      4.136271 
1 1 1 -9  -8  30 o 41.493  2.0308  229.021   22.260    266.936   33.934    200.383   29.492    44.477  2.8637  38.508  2.8802  5.969688       4.061526 
1 1 1 -9  -8  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -8  32 o 29.591  2.1658  116.778   16.732    137.607   26.063    102.175   21.822    31.806  3.0986  27.375  3.0268  4.431536       4.331615 
1 1 1 -9  -8  33 o 25.279  2.4095  91.191    15.103    74.797    23.911    102.072   19.480    23.162  3.9988  27.396  2.6894  -4.233818      4.819008 
1 1 1 -9  -8  34 o 82.853  2.2575  924.366   49.972    1001.89   73.855    858.907   67.866    86.037  3.2048  79.668  3.1804  6.368980       4.515060 
1 1 1 -9  -8  35 o 76.751  2.2057  798.049   45.162    803.125   67.028    793.828   61.117    76.934  3.2528  76.567  2.9801  0.3665085      4.411492 
1 1 1 -9  -8  36 o 50.424  2.0363  339.463   27.125    394.341   42.016    300.246   35.518    53.855  2.9237  46.994  2.8351  6.860977       4.072553 
1 1 1 -9  -8  37 o 50.026  2.1014  340.305   27.690    346.976   42.764    335.488   36.336    50.383  3.1852  49.669  2.7419  0.7138214      4.202831 
1 1 1 -9  -8  38 o 42.153  2.2127  247.349   24.080    226.529   37.896    261.450   31.186    40.501  3.5286  43.805  2.6707  -3.304291      4.425324 
1 1 1 -9  -8  39 o 18.911  2.9680  49.521    14.077    59.339    24.186    44.491    17.312    20.198  4.5764  17.624  3.7806  2.573954       5.936050 
1 1 1 -9  -8  40 o 18.217  3.3955  48.556    17.053    61.151    24.683    37.056    23.587    20.404  4.6234  16.031  4.9742  4.373104       6.791084 
1 1 1 -9  -8  41 o 27.951  2.6007  107.760   18.377    123.632   30.861    99.040    22.874    29.366  4.0298  26.537  3.2886  2.829182       5.201375 
1 1 1 -9  -8  42 o 17.369  3.3310  43.650    15.066    51.410    26.857    40.087    18.199    18.307  5.2214  16.432  4.1375  1.875053       6.661999 
1 1 1 -9  -8  43 o 28.586  2.7597  117.606   19.610    124.512   33.355    113.959   24.241    28.884  4.4546  28.289  3.2589  0.5957813      5.519368 
1 1 1 -9  -8  44 o 21.390  3.2128  67.150    17.216    83.007    29.329    58.814    21.266    23.061  4.8994  19.719  4.1573  3.342628       6.425517 
1 1 1 -9  -8  45 o 12.631  3.2401  22.237    14.912    1.2106    27.720    30.800    17.690    11.058  4.8575  14.203  4.2892  -3.144315      6.480184 
1 1 1 -9  -8  46 o 23.359  3.4978  94.098    20.012    68.061    35.463    106.263   24.240    19.771  6.0933  26.948  3.4366  -7.176334      6.995643 
1 1 1 -9  -8  47 o 18.307  3.6833  51.066    17.695    74.022    32.708    41.568    21.039    20.585  5.7245  16.029  4.6366  4.555573       7.366675 
1 1 1 -9  -8  48 o 23.796  3.5672  91.641    20.828    109.959   37.135    83.233    25.158    24.774  5.7129  22.818  4.2734  1.956203       7.134395 
1 1 1 -9  -7  1  o 211.995 4.1091  6026.08   233.313   5961.02   330.285   6090.88   329.626   210.851 5.8482  213.138 5.7739  -2.287506      8.218269 
1 1 1 -9  -7  2  o 494.569 9.0356  32938.25  1196.76   33612.17  1693.14   32265.41  1691.79   499.651 12.651  489.487 12.904  10.16443       18.07111 
1 1 1 -9  -7  3  o 283.824 5.3109  10808.71  403.710   10963.63  570.843   10653.69  571.020   285.862 7.4554  281.785 7.5656  4.077179       10.62175 
1 1 1 -9  -7  4  o 629.749 11.553  53579.75  1947.85   55390.82  2755.66   51771.27  2753.70   640.477 16.063  619.022 16.608  21.45459       23.10541 
1 1 1 -9  -7  5  o 233.423 4.4366  7306.15   277.386   7286.09   391.768   7326.31   392.799   233.102 6.2747  233.744 6.2739  -0.6425018     8.873244 
1 1 1 -9  -7  6  o 337.655 6.2765  15308.41  567.595   15541.46  802.483   15075.11  802.919   340.234 8.8058  335.077 8.9462  5.156860       12.55295 
1 1 1 -9  -7  7  o 170.304 3.3208  3887.17   151.478   3913.84   213.938   3860.36   214.507   170.891 4.6739  169.718 4.7187  1.172806       6.641675 
1 1 1 -9  -7  8  o 490.195 8.9957  32354.55  1181.11   32509.42  1670.43   32199.71  1670.26   491.375 12.692  489.016 12.752  2.358582       17.99146 
1 1 1 -9  -7  9  o 145.994 2.9544  2856.69   115.472   2971.43   163.780   2743.28   162.828   148.911 4.1063  143.077 4.2488  5.833847       5.908802 
1 1 1 -9  -7  10 o 348.154 6.4776  16282.85  604.050   16228.30  854.957   16337.21  853.555   347.569 9.1836  348.738 9.1378  -1.169617      12.95527 
1 1 1 -9  -7  11 o 179.466 3.5166  4317.38   169.036   4355.40   240.083   4280.00   238.035   180.250 4.9728  178.683 4.9736  1.567154       7.033131 
1 1 1 -9  -7  12 o 107.803 2.3941  1557.81   69.093    1533.44   98.848    1581.08   96.616    106.977 3.4497  108.629 3.3206  -1.651138      4.788224 
1 1 1 -9  -7  13 o 101.061 2.3139  1368.88   62.611    1354.73   89.542    1382.43   87.580    100.549 3.3248  101.574 3.2191  -1.024513      4.627831 
1 1 1 -9  -7  14 o 331.643 6.2646  14802.74  556.155   14223.61  786.726   15381.26  786.317   325.126 9.0340  338.159 8.6813  -13.03296      12.52915 
1 1 1 -9  -7  15 o 191.711 3.7546  4931.65   192.795   4926.88   272.982   4936.40   272.325   191.618 5.3187  191.804 5.3008  -0.1861725     7.509161 
1 1 1 -9  -7  16 o 89.697  2.2215  1078.39   53.372    1072.31   75.571    1084.44   75.387    89.444  3.1544  89.949  3.1290  -0.5051117     4.443077 
1 1 1 -9  -7  17 o 127.853 2.7561  2192.43   94.382    2183.79   133.337   2201.10   133.617   127.600 3.9013  128.105 3.8941  -0.5048828     5.512175 
1 1 1 -9  -7  18 o 259.398 4.9703  9062.46   345.311   8932.52   487.833   9192.95   488.855   257.526 7.0723  261.271 6.9855  -3.745239      9.940593 
1 1 1 -9  -7  19 o 73.088  2.0404  716.580   39.921    739.320   56.193    693.406   56.725    74.261  2.8251  71.915  2.9449  2.346115       4.080863 
1 1 1 -9  -7  20 o 62.953  1.9517  531.317   32.902    530.550   46.069    532.115   47.007    62.907  2.7341  62.998  2.7858  -0.9140396E-01 3.903333 
1 1 1 -9  -7  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -7  22 o 44.447  1.8930  266.112   22.409    275.758   31.425    256.134   31.964    45.276  2.6022  43.618  2.7500  1.657997       3.786018 
1 1 1 -9  -7  23 o 124.347 2.7709  2077.49   92.241    2127.17   129.538   2026.39   131.378   125.862 3.8425  122.831 3.9932  3.030617       5.541714 
1 1 1 -9  -7  24 o 170.490 3.4927  3910.52   159.491   3897.81   224.520   3923.45   226.604   170.212 4.9246  170.767 4.9542  -0.5542297     6.985436 
1 1 1 -9  -7  25 o 83.584  2.2880  937.460   51.202    934.665   71.366    940.425   73.503    83.458  3.1925  83.710  3.2782  -0.2522507     4.575922 
1 1 1 -9  -7  26 o 178.973 3.6459  4313.13   174.770   4260.24   245.871   4367.15   248.472   177.863 5.1610  180.083 5.1513  -2.219788      7.291876 
1 1 1 -9  -7  27 f 13.899  2.7527  27.389    11.296    13.193    17.637    37.262    14.709    11.449  4.2771  16.350  3.4664  -4.900928      5.505400 
1 1 1 -9  -7  28 o 54.665  1.9690  401.158   28.694    407.190   42.331    396.031   39.028    55.003  2.8833  54.327  2.6821  0.6767426      3.937906 
1 1 1 -9  -7  29 o 77.343  2.2011  808.684   45.301    743.348   66.152    866.383   62.166    74.366  3.3211  80.320  2.8896  -5.954330      4.402186 
1 1 1 -9  -7  30 o 75.752  2.1493  767.490   43.498    836.695   64.220    708.828   59.125    78.891  3.0391  72.613  3.0400  6.278114       4.298565 
1 1 1 -9  -7  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -7  32 o 64.303  2.0570  552.326   35.285    613.522   52.764    502.822   47.457    67.498  2.9185  61.108  2.8995  6.389946       4.113969 
1 1 1 -9  -7  33 o 87.101  2.3519  1029.60   54.570    974.814   80.133    1076.99   74.521    84.882  3.5246  89.319  3.1149  -4.436905      4.703740 
1 1 1 -9  -7  34 o 113.093 2.6750  1737.10   80.924    1757.65   117.804   1718.74   111.355   113.689 3.8686  112.498 3.6955  1.190651       5.350038 
1 1 1 -9  -7  35 o 83.167  2.3221  938.387   51.542    942.916   76.260    934.578   69.934    83.306  3.4177  83.028  3.1447  0.2779465      4.644293 
1 1 1 -9  -7  36 o 27.335  2.4465  107.423   16.561    87.077    26.244    120.886   21.348    24.901  4.0759  29.768  2.7071  -4.866728      4.892965 
1 1 1 -9  -7  37 f 32.622  2.1881  140.902   18.544    178.237   29.690    117.022   23.745    36.067  3.1036  29.176  3.0854  6.891718       4.376277 
1 1 1 -9  -7  38 o 35.122  2.2347  165.385   20.393    191.362   32.997    149.331   25.940    37.260  3.3418  32.985  2.9679  4.274296       4.469464 
1 1 1 -9  -7  39 o 27.520  2.4829  100.620   17.413    135.085   28.546    80.193    21.976    31.149  3.4810  23.891  3.5415  7.258261       4.965796 
1 1 1 -9  -7  40 o 18.551  3.2662  50.836    15.695    48.718    26.530    51.976    19.468    18.135  5.1954  18.967  3.9598  -0.8321648     6.532401 
1 1 1 -9  -7  41 o 28.152  2.7844  116.408   19.252    102.827   31.692    124.350   24.237    26.450  4.6427  29.854  3.0750  -3.403624      5.568732 
1 1 1 -9  -7  42 o 45.661  2.3989  297.422   28.057    278.270   45.202    309.425   35.785    44.111  3.8648  47.212  2.8431  -3.100956      4.797883 
1 1 1 -9  -7  43 o 19.807  3.2372  60.344    16.077    57.472    28.182    61.730    19.575    19.082  5.3162  20.532  3.6953  -1.450684      6.474360 
1 1 1 -9  -7  44 o 13.406  3.0129  26.875    14.346    -4.4048   25.186    41.897    17.454    10.151  4.5349  16.660  3.9680  -6.509154      6.025839 
1 1 1 -9  -7  45 o 13.837  3.4187  22.830    14.623    45.110    27.516    14.061    17.262    16.729  5.3962  10.946  4.1988  5.782716       6.837310 
1 1 1 -9  -7  46 o 20.052  3.5496  67.590    18.506    56.322    32.753    72.874    22.429    18.165  5.8903  21.939  3.9626  -3.774128      7.099103 
1 1 1 -9  -7  47 o 18.571  3.8288  53.040    18.712    78.167    35.314    43.232    22.063    20.880  5.9977  16.263  4.7608  4.616219       7.657527 
1 1 1 -9  -7  48 o 19.950  3.7126  58.540    18.847    107.101   36.278    40.587    22.058    24.435  5.6548  15.464  4.8123  8.971695       7.425284 
1 1 1 -9  -6  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -6  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -6  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -6  7  o 129.477 3.8003  2246.90   131.763   2238.30   184.155   2255.92   188.607   129.225 5.3204  129.730 5.4278  -0.5053101     7.600565 
1 1 1 -9  -6  8  o 630.271 11.600  53640.08  1958.07   54544.74  2770.26   52736.89  2768.01   635.623 16.272  624.918 16.537  10.70471       23.19993 
1 1 1 -9  -6  9  o 557.545 10.192  41904.48  1521.91   42478.55  2153.50   41331.68  2151.11   561.383 14.322  553.708 14.504  7.675720       20.38342 
1 1 1 -9  -6  10 o 494.108 9.1418  32880.02  1209.67   32196.17  1711.28   33563.00  1710.19   488.943 13.067  499.272 12.788  -10.32947      18.28358 
1 1 1 -9  -6  11 o 302.652 5.6760  12294.69  460.122   12332.09  651.919   12257.57  649.510   303.110 8.0298  302.193 8.0244  0.9168091      11.35202 
1 1 1 -9  -6  12 o 137.961 2.8768  2550.94   106.288   2525.79   151.158   2575.54   149.484   137.287 4.1107  138.634 4.0256  -1.347260      5.753541 
1 1 1 -9  -6  13 o 402.660 7.4853  21818.11  807.278   21627.29  1142.02   22008.70  1141.31   400.891 10.635  404.428 10.536  -3.537628      14.97061 
1 1 1 -9  -6  14 o 261.633 4.9513  9189.79   346.974   9180.81   490.841   9198.76   490.552   261.504 7.0077  261.761 6.9967  -0.2565002     9.902554 
1 1 1 -9  -6  15 o 185.980 3.6703  4639.72   182.835   4630.72   258.520   4648.73   258.617   185.799 5.1947  186.161 5.1866  -0.3614349     7.340674 
1 1 1 -9  -6  16 o 199.031 3.8959  5316.91   207.691   5282.02   293.360   5351.97   294.079   198.375 5.5211  199.686 5.4983  -1.310898      7.791881 
1 1 1 -9  -6  17 o 144.226 3.0087  2790.47   116.222   2815.03   163.910   2765.64   164.818   144.866 4.2243  143.586 4.2855  1.279968       6.017476 
1 1 1 -9  -6  18 o 103.762 2.4209  1443.88   67.273    1455.43   94.548    1432.05   95.739    104.184 3.3881  103.341 3.4588  0.8429642      4.841805 
1 1 1 -9  -6  19 o 110.937 2.5223  1651.03   74.936    1664.95   105.285   1636.73   106.679   111.413 3.5281  110.461 3.6056  0.9520874      5.044604 
1 1 1 -9  -6  20 o 197.046 3.8957  5222.51   205.593   5273.91   289.917   5170.51   291.595   198.028 5.4659  196.064 5.5526  1.964142       7.791450 
1 1 1 -9  -6  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -6  22 o 19.435  2.3552  52.422    11.756    59.110    16.485    45.503    16.769    20.772  3.0542  18.098  3.5862  2.674192       4.710495 
1 1 1 -9  -6  23 o 260.177 5.0180  9146.82   349.695   9104.00   493.515   9189.99   495.578   259.565 7.0985  260.789 7.0947  -1.224182      10.03609 
1 1 1 -9  -6  24 o 142.943 3.0696  2746.95   117.487   2801.89   165.279   2690.83   167.040   144.396 4.2734  141.490 4.4076  2.905960       6.139144 
1 1 1 -9  -6  25 o 293.637 5.5508  11685.22  436.489   11985.23  619.361   11389.20  615.237   297.414 7.7749  289.860 7.9244  7.554810       11.10155 
1 1 1 -9  -6  26 o 86.295  2.2178  997.442   51.214    1053.29   74.255    946.773   70.729    88.594  3.1292  83.995  3.1438  4.599823       4.435686 
1 1 1 -9  -6  27 o 105.721 2.4712  1498.25   69.902    1595.97   101.191   1409.06   96.676    109.015 3.4655  102.428 3.5238  6.586823       4.942353 
1 1 1 -9  -6  28 o 100.969 2.4179  1365.72   65.186    1527.36   94.738    1220.40   89.831    106.636 3.3169  95.302  3.5191  11.33357       4.835896 
1 1 1 -9  -6  29 o 121.643 2.7120  1988.65   88.304    2078.07   127.530   1906.28   122.391   124.268 3.8315  119.019 3.8392  5.248703       5.424007 
1 1 1 -9  -6  30 o 77.565  2.1814  805.502   45.214    859.353   66.787    759.940   61.432    79.945  3.1190  75.186  3.0505  4.759796       4.362761 
1 1 1 -9  -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -6  32 f 62.198  2.0338  516.075   33.725    583.193   50.516    462.107   45.298    65.814  2.8656  58.582  2.8868  7.231735       4.067644 
1 1 1 -9  -6  33 f 79.709  2.2278  856.021   47.423    881.494   70.216    834.656   64.306    80.777  3.2453  78.641  3.0529  2.136108       4.455571 
1 1 1 -9  -6  34 o 38.723  2.1099  206.527   21.268    188.215   32.621    220.067   28.049    37.135  3.3145  40.312  2.6119  -3.176548      4.219895 
1 1 1 -9  -6  35 o 74.270  2.2011  744.746   43.595    778.023   65.313    718.008   58.546    75.730  3.2199  72.811  3.0020  2.918381       4.402256 
1 1 1 -9  -6  36 o 9.5957  2.6868  6.9822    10.328    -0.0114   16.946    11.115    13.027    9.1436  3.9062  10.048  3.6903  -0.9042854     5.373694 
1 1 1 -9  -6  37 o 20.573  2.8068  61.089    14.372    55.494    23.674    64.354    18.086    19.639  4.5840  21.506  3.2403  -1.866848      5.613603 
1 1 1 -9  -6  38 o 49.956  2.1259  328.678   27.731    436.070   44.036    258.104   35.698    56.520  2.9188  43.392  3.0917  13.12839       4.251824 
1 1 1 -9  -6  39 o 9.0276  2.6738  -4.4641   10.632    14.479    19.216    -12.8222  12.764    11.723  4.4460  6.3325  2.9715  5.390122       5.347555 
1 1 1 -9  -6  40 o 19.712  3.0359  61.355    15.436    37.461    25.029    76.021    19.609    16.144  5.1401  23.280  3.2320  -7.135675      6.071785 
1 1 1 -9  -6  41 o 28.212  2.6367  109.610   19.003    131.404   31.131    96.665    23.992    30.315  3.9261  26.108  3.5207  4.207230       5.273431 
1 1 1 -9  -6  42 o 27.046  2.7445  100.536   18.711    128.243   31.651    85.651    23.199    29.704  4.0864  24.388  3.6647  5.316219       5.488958 
1 1 1 -9  -6  43 o 27.748  2.7483  107.035   19.032    132.268   33.083    94.553    23.267    29.883  4.2533  25.613  3.4818  4.270496       5.496692 
1 1 1 -9  -6  44 o 20.031  3.2230  72.565    17.875    25.649    30.980    95.977    21.885    14.215  5.5774  25.847  3.2318  -11.63171      6.446081 
1 1 1 -9  -6  45 o 27.629  3.0110  111.868   20.255    126.329   35.997    105.168   24.502    28.411  4.9077  26.848  3.4897  1.563156       6.021953 
1 1 1 -9  -6  46 o 11.831  4.3730  18.834    18.341    0.0000    0.0000    18.834    18.341    ?       ?       11.831  4.3730  ?              ?        
1 1 1 -9  -6  47 o 21.146  3.6034  74.314    18.881    75.060    35.160    74.012    22.381    20.362  6.0240  21.930  3.9559  -1.567514      7.206773 
1 1 1 -9  -6  48 o 11.402  3.3807  13.453    15.609    16.160    31.394    12.564    17.990    12.356  5.2987  10.447  4.2001  1.908600       6.761445 
1 1 1 -9  -5  1  o 355.852 6.6577  17002.72  634.553   16853.54  897.598   17151.76  897.189   354.287 9.4588  357.417 9.3717  -3.129333      13.31536 
1 1 1 -9  -5  2  o 679.423 12.387  62364.76  2254.16   62668.44  3188.01   62061.13  3187.72   681.091 17.475  677.754 17.560  3.336670       24.77361 
1 1 1 -9  -5  3  o 211.813 4.0437  6014.17   229.412   6038.88   324.029   5989.33   324.849   212.250 5.6996  211.376 5.7377  0.8739624      8.087447 
1 1 1 -9  -5  4  o 432.764 7.9251  25171.68  918.643   25145.50  1298.65   25197.90  1299.67   432.539 11.209  432.990 11.206  -0.4507141     15.85026 
1 1 1 -9  -5  5  o 153.510 3.0519  3157.61   125.484   3143.29   177.102   3172.05   177.822   153.161 4.3171  153.860 4.3149  -0.6990509     6.103711 
1 1 1 -9  -5  6  o 443.696 8.1506  26465.32  968.622   26281.20  1369.56   26649.60  1370.12   442.146 11.564  445.245 11.489  -3.099243      16.30113 
1 1 1 -9  -5  7  o 623.511 14.062  52589.32  2213.84   52861.55  3835.85   52453.34  2710.90   623.550 22.967  623.473 16.233  0.7684326E-01  28.12468 
1 1 1 -9  -5  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -5  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -5  10 o 318.100 5.9396  13580.86  506.063   13602.57  716.860   13559.29  714.510   318.353 8.4069  317.847 8.3927  0.5057983      11.87912 
1 1 1 -9  -5  11 o 630.346 11.640  53684.29  1965.12   52880.88  2779.19   54487.59  2779.00   625.588 16.586  635.104 16.336  -9.516663      23.28026 
1 1 1 -9  -5  12 o 400.336 7.4457  21547.18  798.402   21524.11  1129.38   21570.22  1128.84   400.121 10.538  400.552 10.522  -0.4306641     14.89148 
1 1 1 -9  -5  13 o 223.388 4.3034  6692.88   257.480   6615.77   364.071   6770.03   364.192   222.099 6.1200  224.677 6.0518  -2.578018      8.606892 
1 1 1 -9  -5  14 f 194.024 3.8253  5048.27   198.794   5068.58   280.877   5027.88   281.398   194.416 5.3938  193.632 5.4257  0.7836761      7.650572 
1 1 1 -9  -5  15 o 90.995  2.2290  1110.08   54.297    1144.51   76.453    1075.04   77.127    92.420  3.0884  89.570  3.2148  2.850655       4.457972 
1 1 1 -9  -5  16 o 48.171  1.8262  311.723   23.473    305.007   32.943    318.649   33.454    47.642  2.5914  48.700  2.5739  -1.057983      3.652395 
1 1 1 -9  -5  17 o 141.942 2.9855  2702.01   113.499   2665.89   159.768   2738.82   161.266   140.984 4.2309  142.900 4.2133  -1.916245      5.970934 
1 1 1 -9  -5  18 o 116.428 2.5984  1817.57   81.022    1778.47   113.828   1857.72   115.351   115.158 3.6903  117.697 3.6590  -2.538971      5.196850 
1 1 1 -9  -5  19 o 60.587  1.9272  491.919   31.271    483.819   43.811    500.332   44.648    60.079  2.7226  61.095  2.7284  -1.016594      3.854403 
1 1 1 -9  -5  20 o 96.714  2.3503  1254.84   60.869    1270.31   85.510    1238.95   86.666    97.321  3.2804  96.108  3.3667  1.212448       4.700578 
1 1 1 -9  -5  21 o 80.155  3.0331  865.300   64.883    866.534   91.735    864.064   91.783    80.213  4.2852  80.097  4.2938  0.1155853      6.066292 
1 1 1 -9  -5  22 o 162.162 4.7109  3534.68   204.617   3534.68   204.617   0.0000    0.0000    162.162 4.7109  ?       ?       ?              ?        
1 1 1 -9  -5  23 o 117.891 2.5865  1869.15   80.904    2211.91   116.408   1548.88   112.522   128.385 3.3852  107.397 3.9116  20.98810       5.173018 
1 1 1 -9  -5  24 o 30.260  1.9616  122.236   15.609    142.896   23.593    106.154   20.815    32.528  2.7333  27.993  2.8143  4.534992       3.923203 
1 1 1 -9  -5  25 o 51.749  2.0151  363.303   27.567    325.889   40.523    395.534   37.611    49.187  3.0915  54.310  2.5855  -5.123051      4.030164 
1 1 1 -9  -5  26 o 88.453  2.4162  1069.20   56.094    845.738   80.817    1276.94   77.921    79.349  3.8025  97.557  2.9820  -18.20776      4.832323 
1 1 1 -9  -5  27 o 238.770 4.6011  7708.25   294.149   7999.16   418.580   7424.43   413.447   243.249 6.4245  234.291 6.5883  8.958084       9.202190 
1 1 1 -9  -5  28 o 212.515 4.2380  6111.29   241.038   5890.66   343.157   6326.16   338.647   208.676 6.1395  216.354 5.8438  -7.677856      8.476002 
1 1 1 -9  -5  29 o 21.966  2.6012  68.405    14.408    56.348    21.866    77.658    19.155    20.083  4.1999  23.848  3.0700  -3.765202      5.202313 
1 1 1 -9  -5  30 o 30.367  2.2142  123.605   17.584    137.448   27.236    113.712   23.026    31.804  3.2426  28.929  3.0159  2.874613       4.428343 
1 1 1 -9  -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -5  32 o 48.548  1.9922  311.425   25.427    399.061   38.897    246.026   33.601    54.459  2.6666  42.636  2.9607  11.82270       3.984488 
1 1 1 -9  -5  33 o 35.790  2.1004  173.712   19.712    175.760   30.371    172.221   25.912    35.935  3.1885  35.645  2.7349  0.2899818      4.200713 
1 1 1 -9  -5  34 o 33.350  2.1791  153.208   18.775    144.073   29.398    159.500   24.400    32.422  3.4377  34.279  2.6788  -1.856274      4.358163 
1 1 1 -9  -5  35 o 8.2145  2.3660  -6.4816   9.1662    14.310    14.764    -19.5217  11.693    11.040  3.9459  5.3885  2.6119  5.651963       4.732052 
1 1 1 -9  -5  36 o 62.032  2.1355  518.609   35.184    549.524   53.935    495.708   46.421    63.589  3.1666  60.475  2.8658  3.114239       4.270908 
1 1 1 -9  -5  37 o 46.098  2.1439  288.709   25.893    298.531   40.714    282.038   33.554    46.681  3.2770  45.515  2.7654  1.165638       4.287894 
1 1 1 -9  -5  38 o 25.042  2.6129  87.574    16.451    89.432    26.927    86.467    20.780    25.115  4.1476  24.970  3.1791  0.1451931      5.225831 
1 1 1 -9  -5  39 o 16.516  5.9577  35.353    33.735    0.0000    0.0000    35.353    33.735    ?       ?       16.516  5.9577  ?              ?        
1 1 1 -9  -5  40 o 39.605  2.2994  213.581   23.624    237.879   38.437    198.830   29.949    41.274  3.5102  37.936  2.9711  3.337437       4.598785 
1 1 1 -9  -5  41 o 32.490  2.6693  153.463   21.430    138.617   35.646    161.867   26.818    30.860  4.4403  34.120  2.9640  -3.259274      5.338639 
1 1 1 -9  -5  42 o 32.563  2.8689  163.860   22.034    122.592   36.676    187.167   27.563    28.468  4.9919  36.658  2.8291  -8.189108      5.737822 
1 1 1 -9  -5  43 o 11.027  3.0827  3.0858    13.080    29.962    24.610    -7.4950   15.441    14.440  5.1015  7.6143  3.4622  6.825422       6.165388 
1 1 1 -9  -5  44 o 24.658  3.2836  96.539    19.351    84.321    34.105    102.340   23.500    22.702  5.6352  26.614  3.3723  -3.911812      6.567182 
1 1 1 -9  -5  45 o 31.659  2.9719  151.395   23.062    147.512   39.229    153.446   28.510    30.705  4.9372  32.613  3.3096  -1.907791      5.943797 
1 1 1 -9  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -5  47 o 19.999  3.6802  57.893    18.723    101.564   35.502    41.066    22.037    24.222  5.5862  15.775  4.7926  8.446672       7.360337 
1 1 1 -9  -4  1  o 182.523 3.5282  4465.73   172.422   4618.74   244.161   4313.51   243.524   185.645 4.9103  179.402 5.0679  6.242920       7.056485 
1 1 1 -9  -4  2  o 32.167  1.5200  139.234   13.016    139.882   18.166    138.550   18.658    32.247  2.1149  32.088  2.1839  0.1594009      3.040081 
1 1 1 -9  -4  3  o 332.104 6.1310  14802.60  545.372   14798.99  770.712   14806.22  771.833   332.064 8.6653  332.144 8.6758  -0.8026123E-01 12.26195 
1 1 1 -9  -4  4  o 378.621 6.9785  19251.80  707.708   19267.90  1000.44   19235.67  1001.27   378.780 9.8608  378.461 9.8773  0.3186951      13.95698 
1 1 1 -9  -4  5  o 435.344 8.0196  25475.14  935.107   25675.08  1322.40   25275.17  1322.48   437.059 11.296  433.629 11.386  3.429718       16.03910 
1 1 1 -9  -4  6  o 124.278 2.5661  2069.16   85.416    2080.88   121.300   2057.62   120.299   124.627 3.6338  123.929 3.6241  0.6984711      5.132103 
1 1 1 -9  -4  7  o 382.462 7.0491  19645.39  722.116   19623.93  1022.18   19666.77  1020.28   382.252 9.9836  382.672 9.9541  -0.4201660     14.09811 
1 1 1 -9  -4  8  o 294.668 5.4919  11648.45  433.455   11702.88  614.266   11594.47  611.739   295.354 7.7647  293.982 7.7688  1.371490       10.98388 
1 1 1 -9  -4  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -4  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -4  11 f 146.867 3.0483  2891.53   119.829   3023.66   169.708   2760.16   169.221   150.216 4.2179  143.518 4.4021  6.698151       6.096640 
1 1 1 -9  -4  12 o 483.738 8.9491  31505.34  1159.51   31335.22  1639.43   31675.62  1640.17   482.426 12.687  485.051 12.624  -2.625946      17.89822 
1 1 1 -9  -4  13 f 345.764 6.4381  16059.38  596.246   16028.66  842.694   16090.17  843.746   345.432 9.1079  346.095 9.1018  -0.6628723     12.87620 
1 1 1 -9  -4  14 o 158.816 3.2505  3382.25   138.208   3486.48   194.956   3276.95   195.959   161.280 4.5130  156.353 4.6792  4.926376       6.500924 
1 1 1 -9  -4  15 o 266.922 5.0668  9566.34   362.242   9485.34   511.565   9647.79   513.013   265.787 7.1858  268.057 7.1452  -2.270203      10.13359 
1 1 1 -9  -4  16 o 272.319 5.1629  9964.67   376.567   9837.69   531.795   10092.36  533.301   270.574 7.3378  274.063 7.2649  -3.488861      10.32586 
1 1 1 -9  -4  17 o 238.655 4.5919  7653.17   293.526   7685.24   414.485   7620.90   415.736   239.159 6.4704  238.150 6.5174  1.008835       9.183864 
1 1 1 -9  -4  18 o 131.022 2.8315  2302.93   99.354    2328.41   139.918   2277.02   141.106   131.755 3.9648  130.289 4.0434  1.466003       5.662928 
1 1 1 -9  -4  19 o 172.921 3.5108  4015.97   162.604   3990.05   229.254   4042.22   230.665   172.359 4.9659  173.482 4.9641  -1.123276      7.021515 
1 1 1 -9  -4  20 o 127.651 2.7632  2188.53   94.402    2118.25   134.667   2256.43   132.372   125.628 4.0021  129.674 3.8111  -4.045921      5.526410 
1 1 1 -9  -4  21 o 279.959 5.4043  10607.68  404.250   9772.39   572.479   11438.40  570.914   268.847 7.9500  291.071 7.3229  -22.22421      10.80866 
1 1 1 -9  -4  22 o 98.009  3.2512  1286.86   85.212    1382.27   124.468   1202.70   116.903   101.418 4.5820  94.599  4.6137  6.819183       6.502362 
1 1 1 -9  -4  23 o 215.719 4.2688  6277.99   246.393   5987.23   349.928   6563.90   346.995   210.723 6.1998  220.715 5.8695  -9.992142      8.537499 
1 1 1 -9  -4  24 o 56.663  1.9442  428.946   28.873    552.458   42.720    325.075   39.176    64.190  2.4847  49.136  2.9909  15.05433       3.888346 
1 1 1 -9  -4  25 o 205.528 4.1599  5713.70   228.057   5150.31   324.012   6266.86   321.053   195.380 6.1914  215.675 5.5576  -20.29491      8.319884 
1 1 1 -9  -4  26 o 283.543 5.4518  10902.26  413.911   10645.79  587.366   11155.25  583.372   280.177 7.8269  286.909 7.5912  -6.731903      10.90351 
1 1 1 -9  -4  27 o 53.269  2.2402  403.161   29.840    260.213   43.794    527.041   40.769    43.848  3.7654  62.690  2.4280  -18.84232      4.480354 
1 1 1 -9  -4  28 o 69.453  2.1027  646.907   39.021    656.668   57.401    638.520   53.205    69.934  3.0644  68.971  2.8800  0.9628983      4.205332 
1 1 1 -9  -4  29 o 59.463  2.1744  488.100   33.616    386.035   49.546    575.165   45.760    53.468  3.4785  65.459  2.6100  -11.99094      4.348791 
1 1 1 -9  -4  30 o 94.545  2.4027  1201.24   60.758    1233.71   88.777    1172.63   83.331    95.737  3.4621  93.354  3.3326  2.382698       4.805427 
1 1 1 -9  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -4  32 o 23.547  2.3691  74.260    14.296    88.321    22.797    65.147    18.353    25.351  3.4467  21.743  3.2513  3.607876       4.738225 
1 1 1 -9  -4  33 o 15.521  2.8334  33.162    11.670    38.346    18.616    29.805    14.979    16.482  4.2037  14.560  3.8003  1.921327       5.666870 
1 1 1 -9  -4  34 o 36.031  2.1057  172.448   19.889    208.639   31.111    147.433   25.865    39.169  2.9879  32.892  2.9678  6.277435       4.211336 
1 1 1 -9  -4  35 f 72.309  2.1959  704.020   42.317    758.009   63.847    661.724   56.511    74.739  3.1894  69.878  3.0193  4.860451       4.391838 
1 1 1 -9  -4  36 f 22.202  2.7794  73.548    15.087    54.629    24.394    85.267    19.199    19.497  4.7214  24.907  2.9342  -5.409672      5.558894 
1 1 1 -9  -4  37 o 68.444  2.2209  633.554   40.403    674.228   61.770    603.139   53.414    70.297  3.2806  66.590  2.9947  3.706940       4.441889 
1 1 1 -9  -4  38 o 15.270  3.2136  31.785    13.677    38.865    22.951    27.887    17.031    16.471  4.8653  14.068  4.1997  2.403421       6.427176 
1 1 1 -9  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -4  40 o 36.670  2.5951  198.025   23.360    158.038   38.042    222.229   29.597    33.158  4.3913  40.182  2.7668  -7.023552      5.190290 
1 1 1 -9  -4  41 o 20.003  3.1491  52.019    15.865    88.304    28.480    35.695    19.103    24.464  4.5127  15.543  4.3934  8.921108       6.298106 
1 1 1 -9  -4  42 o 19.364  3.2902  60.374    16.377    44.727    29.010    67.694    19.842    17.082  5.5439  21.646  3.5449  -4.564217      6.580343 
1 1 1 -9  -4  43 o 38.539  2.6179  214.921   25.486    213.531   42.438    215.706   31.873    38.005  4.2413  39.074  3.0702  -1.068413      5.235868 
1 1 1 -9  -4  44 o 21.207  3.4211  74.212    18.288    58.489    32.076    81.785    22.261    18.811  5.7948  23.603  3.6380  -4.792292      6.842126 
1 1 1 -9  -4  45 o 26.118  3.4414  113.466   21.043    89.550    37.645    124.336   25.378    22.900  6.0477  29.336  3.2862  -6.435860      6.882850 
1 1 1 -9  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -4  47 o 17.572  3.5712  55.999    18.097    37.277    33.446    63.750    21.520    15.039  5.8242  20.105  4.1342  -5.066783      7.142322 
1 1 1 -9  -3  1  o 324.759 7.3805  14164.60  606.229   14185.50  1046.75   14154.05  743.639   324.769 12.033  324.748 8.5492  0.2087402E-01  14.76097 
1 1 1 -9  -3  2  o 651.722 11.820  57349.25  2063.31   57505.27  2917.69   57193.18  2918.24   652.616 16.691  650.827 16.740  1.788818       23.63987 
1 1 1 -9  -3  3  o 64.483  1.7084  556.867   29.503    551.572   41.306    562.381   42.154    64.170  2.4032  64.796  2.4288  -0.6255722     3.416804 
1 1 1 -9  -3  4  o 300.320 5.5765  12101.95  448.501   11837.76  633.835   12366.87  634.717   297.032 7.9668  303.609 7.8051  -6.576935      11.15299 
1 1 1 -9  -3  5  o 403.273 7.3970  21849.21  798.998   21876.03  1130.51   21822.44  1129.40   403.520 10.460  403.025 10.462  0.4948425      14.79408 
1 1 1 -9  -3  6  o 743.686 13.626  74864.66  2714.13   74155.80  3838.84   75573.16  3837.88   740.127 19.364  747.245 19.175  -7.117432      27.25193 
1 1 1 -9  -3  7  o 303.582 5.6822  12365.37  462.040   12431.16  654.709   12300.10  652.146   304.387 8.0303  302.777 8.0414  1.609619       11.36444 
1 1 1 -9  -3  8  o 136.367 2.8812  2494.26   105.109   2362.32   149.162   2624.40   148.136   132.779 4.1941  139.955 3.9517  -7.175690      5.762481 
1 1 1 -9  -3  9  o 376.735 7.0229  19061.72  708.667   19068.99  1002.46   19054.46  1001.96   376.807 9.9325  376.664 9.9313  0.1434021      14.04581 
1 1 1 -9  -3  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -3  11 o 189.304 3.7398  4805.41   189.519   4981.38   267.698   4628.59   268.345   192.783 5.1843  185.825 5.3914  6.958038       7.479558 
1 1 1 -9  -3  12 f 211.995 4.1170  6025.31   233.765   5960.19   329.935   6090.95   331.255   210.844 5.8422  213.146 5.8022  -2.301849      8.233931 
1 1 1 -9  -3  13 o 226.345 4.3825  6871.54   265.649   7007.75   375.225   6734.66   376.146   228.598 6.1282  224.093 6.2667  4.505341       8.765052 
1 1 1 -9  -3  14 o 420.972 7.7877  23849.84  878.055   23503.55  1240.90   24197.09  1242.62   417.898 11.086  424.046 10.940  -6.147888      15.57544 
1 1 1 -9  -3  15 o 335.218 6.2784  15106.79  563.682   14881.79  796.378   15332.69  797.959   332.708 8.9365  337.728 8.8211  -5.019379      12.55681 
1 1 1 -9  -3  16 o 115.818 2.5997  1797.88   80.644    1794.24   113.550   1801.58   114.551   115.700 3.6641  115.936 3.6889  -0.2356873     5.199335 
1 1 1 -9  -3  17 o 117.397 2.6045  1850.92   81.743    1739.43   116.454   1959.20   114.769   113.902 3.8171  120.893 3.5444  -6.990860      5.208920 
1 1 1 -9  -3  18 o 105.764 2.4755  1507.24   69.739    1341.95   99.550    1666.53   97.728    100.034 3.7154  111.494 3.2725  -11.45988      4.951087 
1 1 1 -9  -3  19 f 412.753 7.7219  23134.02  853.608   23549.59  1208.86   22720.75  1205.51   416.493 10.836  409.012 11.004  7.481171       15.44378 
1 1 1 -9  -3  20 o 81.315  2.1299  887.811   46.319    858.570   66.647    915.130   64.420    80.015  3.1097  82.615  2.9112  -2.600243      4.259729 
1 1 1 -9  -3  21 o 86.453  2.1795  1000.73   50.354    1100.39   72.727    908.974   69.786    90.583  2.9975  82.322  3.1649  8.261261       4.359085 
1 1 1 -9  -3  22 o 127.042 3.2555  2069.17   107.287   1795.91   133.027   2577.68   181.466   115.624 4.2954  138.460 4.8931  -22.83584      6.510935 
1 1 1 -9  -3  23 o 151.150 3.2181  3083.78   129.650   2762.78   184.751   3395.25   181.987   143.335 4.8122  158.965 4.2741  -15.63068      6.436286 
1 1 1 -9  -3  24 o 93.269  2.3052  1166.01   57.551    1203.86   83.265    1131.39   79.634    94.715  3.2821  91.823  3.2379  2.892334       4.610433 
1 1 1 -9  -3  25 o 81.870  2.2224  900.608   48.628    877.911   70.614    921.080   67.064    80.881  3.2595  82.858  3.0218  -1.976692      4.444732 
1 1 1 -9  -3  26 o 101.896 2.4387  1392.81   66.512    1423.30   96.221    1364.92   92.042    102.960 3.4891  100.832 3.4080  2.127884       4.877326 
1 1 1 -9  -3  27 o 173.785 3.5320  4067.48   164.383   4118.86   235.057   4018.30   229.971   174.854 5.0189  172.716 4.9711  2.137985       7.064078 
1 1 1 -9  -3  28 o 152.114 3.2121  3117.34   130.805   3096.70   187.668   3136.84   182.417   151.609 4.6214  152.620 4.4624  -1.010223      6.424201 
1 1 1 -9  -3  29 o 97.624  2.4892  1288.23   64.758    1191.83   94.023    1375.23   89.322    94.106  3.7301  101.142 3.2971  -7.035477      4.978472 
1 1 1 -9  -3  30 o 72.048  2.2148  703.061   42.384    651.619   62.694    746.362   57.520    69.580  3.3640  74.516  2.8819  -4.935974      4.429604 
1 1 1 -9  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -3  32 o 53.719  2.0306  385.333   28.939    437.017   43.826    345.379   38.534    56.882  2.8860  50.556  2.8574  6.326626       4.061219 
1 1 1 -9  -3  33 o 25.429  2.4078  91.619    15.375    76.717    23.836    102.237   20.120    23.464  3.9318  27.395  2.7806  -3.930883      4.815643 
1 1 1 -9  -3  34 o 21.702  2.6191  67.972    14.171    55.781    22.233    76.314    18.390    19.833  4.3084  23.572  2.9793  -3.738571      5.238240 
1 1 1 -9  -3  35 o 54.063  2.1403  399.151   30.478    382.570   46.555    411.587   40.319    52.963  3.2981  55.162  2.7289  -2.198330      4.280695 
1 1 1 -9  -3  36 o 42.586  2.1380  243.565   23.822    268.506   37.966    227.369   30.594    44.311  3.2209  40.861  2.8125  3.449612       4.276011 
1 1 1 -9  -3  37 o 61.200  2.2539  514.605   36.255    493.287   55.836    530.145   47.671    59.939  3.4930  62.461  2.8494  -2.521980      4.507789 
1 1 1 -9  -3  38 o 38.148  2.2637  195.724   22.429    223.419   36.454    178.854   28.452    40.208  3.4172  36.088  2.9698  4.119846       4.527344 
1 1 1 -9  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -3  40 o 12.523  3.2110  19.347    13.410    18.608    23.091    19.724    16.472    12.849  4.8736  12.197  4.1822  0.6518936      6.422033 
1 1 1 -9  -3  41 o 16.458  3.2780  42.804    15.443    25.328    26.862    51.432    18.873    14.163  5.2808  18.754  3.8849  -4.591769      6.555922 
1 1 1 -9  -3  42 o 60.558  2.4542  523.193   38.582    502.023   61.251    537.119   49.677    59.068  3.8933  62.047  2.9891  -2.979614      4.908398 
1 1 1 -9  -3  43 o 16.610  3.2995  32.199    15.377    75.277    28.655    14.776    18.224    21.932  4.9902  11.288  4.3180  10.64426       6.599022 
1 1 1 -9  -3  44 o 38.374  2.6415  210.321   25.687    232.032   43.648    198.818   31.771    39.458  4.1942  37.290  3.2123  2.168453       5.283054 
1 1 1 -9  -3  45 o 15.515  3.0665  40.034    16.974    -11.0228  29.991    64.096    20.589    10.387  4.7615  20.644  3.8656  -10.25698      6.133094 
1 1 1 -9  -3  46 o 22.258  3.5679  93.949    20.978    46.937    37.762    114.933   25.229    16.605  6.2476  27.910  3.4480  -11.30511      7.135893 
1 1 1 -9  -3  47 o 41.760  2.8443  265.013   29.748    286.031   51.231    254.321   36.538    42.113  4.6176  41.407  3.3225  0.7062149      5.688677 
1 1 1 -9  -2  1  o 200.575 5.4640  5392.63   293.548   0.0000    0.0000    5392.63   293.548   ?       ?       200.575 5.4640  ?              ?        
1 1 1 -9  -2  2  o 226.948 4.2601  6905.39   258.938   6783.88   365.489   7027.84   366.903   224.942 6.0662  228.954 5.9829  -4.012299      8.520223 
1 1 1 -9  -2  3  o 356.924 6.5849  17108.24  629.354   16625.31  889.351   17592.67  890.732   351.866 9.4364  361.983 9.1869  -10.11725      13.16988 
1 1 1 -9  -2  4  o 660.844 12.093  58998.46  2140.55   58478.11  3027.41   59518.68  3026.99   657.904 17.180  663.784 17.025  -5.879517      24.18695 
1 1 1 -9  -2  5  o 707.634 12.978  67731.66  2459.76   67839.52  3479.96   67623.98  3477.29   708.200 18.345  707.068 18.361  1.131775       25.95523 
1 1 1 -9  -2  6  o 256.172 4.8317  8800.59   331.513   8916.03   469.966   8686.25   467.704   257.846 6.8048  254.499 6.8611  3.347031       9.663379 
1 1 1 -9  -2  7  f 149.121 3.0383  2979.62   121.348   3020.00   172.007   2939.61   171.221   150.127 4.2776  148.115 4.3159  2.012451       6.076554 
1 1 1 -9  -2  8  o 281.183 5.3314  10606.24  401.507   10735.52  567.880   10477.03  567.753   282.899 7.4944  279.467 7.5847  3.432037       10.66273 
1 1 1 -9  -2  9  o 40.043  1.7196  217.064   18.182    248.558   25.589    184.951   25.840    43.020  2.2284  37.066  2.6196  5.954254       3.439145 
1 1 1 -9  -2  10 o 106.845 2.4217  1529.23   69.298    1499.12   97.519    1559.94   98.492    105.783 3.4418  107.908 3.4077  -2.124969      4.843394 
1 1 1 -9  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -2  12 o 177.791 3.5500  4236.71   169.031   4145.78   238.434   4328.58   239.664   175.872 5.0615  179.710 4.9790  -3.838043      7.099965 
1 1 1 -9  -2  13 o 571.632 10.533  44101.06  1612.66   43521.98  2279.63   44681.18  2281.67   567.849 14.988  575.416 14.804  -7.567078      21.06654 
1 1 1 -9  -2  14 o 303.954 5.6742  12404.50  461.941   12546.12  654.309   12263.76  652.261   305.687 7.9913  302.221 8.0576  3.465790       11.34842 
1 1 1 -9  -2  15 o 109.772 2.4622  1616.29   72.066    1820.11   103.104   1421.60   100.768   116.548 3.3028  102.996 3.6527  13.55225       4.924500 
1 1 1 -9  -2  16 o 192.645 3.8648  4996.17   198.499   4456.28   281.375   5531.06   280.070   182.230 5.7647  203.060 5.1493  -20.83083      7.729654 
1 1 1 -9  -2  17 o 331.538 6.3271  14844.74  559.971   13454.16  792.040   16234.47  791.796   315.883 9.3612  347.193 8.5144  -31.30975      12.65415 
1 1 1 -9  -2  18 o 254.847 4.8639  8738.33   331.956   8948.17   470.959   8531.14   467.969   257.898 6.8178  251.796 6.9387  6.101746       9.727729 
1 1 1 -9  -2  19 o 157.659 3.2277  3336.80   136.292   3359.26   194.139   3314.96   191.384   158.180 4.5822  157.137 4.5471  1.043549       6.455435 
1 1 1 -9  -2  20 o 34.396  1.7766  158.682   16.210    175.291   23.804    144.321   22.134    36.078  2.4784  32.714  2.5461  3.364239       3.553167 
1 1 1 -9  -2  21 o 77.050  3.0649  800.600   62.708    898.789   89.698    706.733   87.701    81.713  4.1114  72.387  4.5464  9.325775       6.129717 
1 1 1 -9  -2  22 o 236.744 4.5963  7560.79   291.398   7436.78   413.762   7682.83   410.456   234.797 6.5791  238.691 6.4201  -3.893616      9.192533 
1 1 1 -9  -2  23 o 124.661 2.7220  2084.81   90.702    2275.56   130.419   1906.12   126.228   130.188 3.7401  119.134 3.9557  11.05330       5.443902 
1 1 1 -9  -2  24 o 182.544 3.7621  4497.54   183.425   4150.11   261.157   4835.78   257.682   175.526 5.5548  189.563 5.0751  -14.03650      7.524127 
1 1 1 -9  -2  25 o 166.550 3.4118  3731.76   152.165   3736.16   217.593   3727.55   212.873   166.638 4.8751  166.462 4.7744  0.1762238      6.823570 
1 1 1 -9  -2  26 o 116.583 2.6145  1821.87   81.437    2012.68   117.847   1647.47   112.667   122.423 3.5939  110.743 3.7983  11.68016       5.229098 
1 1 1 -9  -2  27 o 19.615  2.5914  52.503    12.976    83.211    19.689    28.922    17.254    24.714  3.0384  14.517  4.1988  10.19712       5.182800 
1 1 1 -9  -2  28 o 26.379  2.2918  92.538    15.645    112.294   24.503    78.941    20.328    28.732  3.2406  24.026  3.2415  4.705383       4.583549 
1 1 1 -9  -2  29 o 70.732  2.1297  668.819   40.212    713.703   59.946    632.100   54.220    72.874  3.0711  68.590  2.9513  4.283371       4.259320 
1 1 1 -9  -2  30 o 31.705  2.2579  133.578   18.668    156.178   29.426    118.355   24.150    33.908  3.2810  29.501  3.1028  4.406971       4.515779 
1 1 1 -9  -2  31 o 66.112  4.3948  594.596   77.380    594.596   77.380    0.0000    0.0000    66.112  4.3948  ?       ?       ?              ?        
1 1 1 -9  -2  32 o 88.067  2.3982  1051.80   56.239    1005.71   83.080    1090.77   76.406    86.231  3.5970  89.902  3.1730  -3.670609      4.796491 
1 1 1 -9  -2  33 o 56.990  2.1078  439.319   31.822    439.861   48.272    438.902   42.320    56.945  3.1775  57.035  2.7702  -0.8996201E-01 4.215539 
1 1 1 -9  -2  34 o 7.2424  2.3093  -5.7668   8.9764    -8.2724   15.650    -4.5384   10.958    7.7849  3.5180  6.6999  2.9923  1.084993       4.618522 
1 1 1 -9  -2  35 o 29.439  2.2800  113.696   17.252    151.324   28.028    90.743    21.891    33.234  3.1877  25.645  3.2607  7.589378       4.560017 
1 1 1 -9  -2  36 o 57.362  2.2571  455.461   33.790    410.855   52.007    488.045   44.450    54.723  3.5677  60.000  2.7658  -5.277096      4.514218 
1 1 1 -9  -2  37 o 29.195  2.4514  115.338   18.294    130.746   30.182    106.390   23.001    30.630  3.7575  27.759  3.1492  2.871271       4.902702 
1 1 1 -9  -2  38 o 42.225  2.3265  245.235   25.331    249.140   41.160    242.854   32.138    42.349  3.6648  42.102  2.8670  0.2470169      4.653000 
1 1 1 -9  -2  39 o 44.832  2.3089  277.563   26.866    282.221   43.041    274.590   34.387    44.980  3.6028  44.683  2.8886  0.2965927      4.617790 
1 1 1 -9  -2  40 o 13.169  3.2870  17.810    14.082    37.636    24.978    8.5710    17.051    16.072  5.1368  10.266  4.1025  5.805141       6.573974 
1 1 1 -9  -2  41 o 13.840  3.2977  25.765    13.814    31.972    24.109    22.732    16.856    14.931  5.0601  12.749  4.2302  2.181759       6.595332 
1 1 1 -9  -2  42 o 25.234  3.1555  97.289    19.143    89.617    33.330    101.066   23.386    23.894  5.3419  26.574  3.3606  -2.680122      6.311065 
1 1 1 -9  -2  43 o 39.759  2.5764  226.232   25.929    237.107   43.777    220.356   32.181    40.070  4.1385  39.448  3.0699  0.6220360      5.152837 
1 1 1 -9  -2  44 o 7.2416  2.4222  -19.4646  12.823    -61.4775  25.388    -5.0753   14.858    6.8053  3.3982  7.6779  3.4526  -0.8725777     4.844408 
1 1 1 -9  -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -2  46 o 28.272  3.3498  127.602   22.403    127.060   40.302    127.845   26.950    27.195  5.7145  29.349  3.4972  -2.153862      6.699686 
1 1 1 -9  -1  1  o 216.068 5.9139  6259.06   342.260   0.0000    0.0000    6259.06   342.260   ?       ?       216.068 5.9139  ?              ?        
1 1 1 -9  -1  2  o 262.493 6.0178  9272.01   398.697   9176.91   689.306   9319.82   488.749   261.380 9.8458  263.605 6.9222  -2.225586      12.03563 
1 1 1 -9  -1  3  f 353.922 6.5040  16818.91  616.558   16935.73  872.818   16702.56  871.075   355.151 9.1753  352.694 9.2208  2.457825       13.00806 
1 1 1 -9  -1  4  o 605.054 11.072  49394.00  1794.39   49328.59  2538.83   49459.28  2536.48   604.649 15.676  605.459 15.641  -0.8106079     22.14447 
1 1 1 -9  -1  5  o 601.079 11.072  48743.52  1782.49   48613.65  2521.57   48873.23  2520.09   600.271 15.683  601.886 15.632  -1.614990      22.14314 
1 1 1 -9  -1  6  o 323.135 6.0462  14014.40  523.302   13968.30  740.165   14060.48  739.957   322.603 8.5659  323.668 8.5353  -1.065308      12.09236 
1 1 1 -9  -1  7  o 378.514 7.0267  19245.90  712.265   19675.42  1007.22   18816.25  1007.37   382.751 9.8247  374.277 10.049  8.474518       14.05345 
1 1 1 -9  -1  8  o 382.122 7.0841  19613.42  724.978   19241.06  1024.51   19986.89  1026.04   378.480 10.106  385.765 9.9300  -7.285339      14.16827 
1 1 1 -9  -1  9  o 126.243 2.7118  2135.19   91.694    2112.03   129.256   2158.65   130.096   125.553 3.8436  126.932 3.8265  -1.378426      5.423594 
1 1 1 -9  -1  10 o 338.307 6.3090  15364.21  571.633   15088.12  807.717   15641.26  809.109   335.256 8.9948  341.359 8.8492  -6.102936      12.61810 
1 1 1 -9  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -1  12 o 187.923 3.6877  4733.44   185.598   4838.69   263.439   4629.72   261.522   189.998 5.1766  185.848 5.2537  4.150391       7.375492 
1 1 1 -9  -1  13 o 199.061 3.8888  5312.75   207.258   5515.52   294.248   5113.10   291.977   202.834 5.4161  195.288 5.5819  7.545990       7.777648 
1 1 1 -9  -1  14 o 590.855 10.905  47201.52  1725.81   46964.29  2441.54   47438.41  2439.78   589.355 15.467  592.355 15.377  -2.999939      21.81009 
1 1 1 -9  -1  15 o 315.571 5.9424  13383.58  502.271   13298.16  711.377   13468.50  709.264   314.562 8.4432  316.580 8.3644  -2.018463      11.88487 
1 1 1 -9  -1  16 o 73.688  2.0100  727.603   39.648    726.377   57.040    728.749   55.148    73.627  2.8924  73.748  2.7918  -0.1214752     4.019973 
1 1 1 -9  -1  17 o 167.001 3.4389  3752.47   153.298   3413.71   217.695   4085.69   215.909   159.488 5.0960  174.514 4.6190  -15.02536      6.877851 
1 1 1 -9  -1  18 o 314.418 5.9334  13338.35  499.532   12983.51  707.517   13691.05  705.378   310.214 8.5150  318.622 8.2653  -8.408234      11.86677 
1 1 1 -9  -1  19 o 40.627  1.8057  221.490   19.266    274.712   28.234    175.109   26.357    45.215  2.3393  36.038  2.7513  9.176907       3.611359 
1 1 1 -9  -1  20 f 169.366 3.4510  3857.36   156.439   3725.83   222.678   3985.54   219.828   166.500 4.9931  172.232 4.7652  -5.732407      6.902042 
1 1 1 -9  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -1  22 o 191.867 3.8495  4957.71   197.723   4819.19   281.396   5092.78   277.881   189.199 5.5528  194.535 5.3330  -5.335831      7.698991 
1 1 1 -9  -1  23 o 90.549  2.2902  1102.47   55.416    1056.42   80.079    1144.79   76.765    88.724  3.3697  92.375  3.1025  -3.650597      4.580459 
1 1 1 -9  -1  24 o 194.839 3.8365  5111.46   200.003   5436.12   285.512   4798.65   280.255   200.936 5.3049  188.741 5.5437  12.19490       7.672958 
1 1 1 -9  -1  25 f 62.069  2.0633  520.958   33.983    479.226   49.832    557.236   46.462    59.680  3.1283  64.458  2.6911  -4.778427      4.126533 
1 1 1 -9  -1  26 o 74.870  2.1218  750.305   42.493    789.999   62.084    715.322   58.285    76.727  3.0209  73.013  2.9803  3.714500       4.243640 
1 1 1 -9  -1  27 o 41.208  2.1555  238.194   22.622    174.658   33.537    291.236   30.642    35.884  3.5352  46.532  2.4674  -10.64774      4.311089 
1 1 1 -9  -1  28 o 57.349  2.0470  441.388   31.297    452.712   46.260    431.830   42.500    57.983  2.9888  56.715  2.7977  1.268654       4.093924 
1 1 1 -9  -1  29 o 83.486  2.2743  933.468   50.745    995.895   74.860    880.396   69.024    86.054  3.2478  80.917  3.1847  5.137367       4.548693 
1 1 1 -9  -1  30 o 72.956  4.4911  722.657   87.334    0.0000    0.0000    722.657   87.334    ?       ?       72.956  4.4911  ?              ?        
1 1 1 -9  -1  31 o 56.750  2.0827  435.040   31.357    428.630   47.069    440.154   42.045    56.310  3.1331  57.191  2.7448  -0.8802261     4.165376 
1 1 1 -9  -1  32 o 67.419  2.2831  626.965   40.271    530.161   60.135    705.683   54.227    62.482  3.6086  72.356  2.7980  -9.874329      4.566257 
1 1 1 -9  -1  33 o 20.987  2.5646  58.452    13.536    89.402    21.580    38.378    17.379    25.503  3.2316  16.470  3.9831  9.032722       5.129223 
1 1 1 -9  -1  34 f 34.995  2.1614  165.314   19.723    176.960   31.254    157.606   25.425    35.966  3.2804  34.024  2.8152  1.942120       4.322786 
1 1 1 -9  -1  35 o 15.976  2.9732  36.923    12.620    32.115    21.328    39.512    15.654    15.241  4.7302  16.711  3.6034  -1.469467      5.946380 
1 1 1 -9  -1  36 o 36.507  2.2071  174.785   20.890    231.040   33.787    139.973   26.579    41.096  3.0922  31.917  3.1501  9.178703       4.414156 
1 1 1 -9  -1  37 o 64.639  2.2885  572.963   39.011    565.705   59.984    578.284   51.356    64.125  3.5056  65.153  2.9429  -1.027519      4.577075 
1 1 1 -9  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -1  39 o 56.716  2.3824  452.362   35.044    414.800   55.017    478.006   45.459    54.399  3.7998  59.033  2.8750  -4.633923      4.764874 
1 1 1 -9  -1  40 f 26.791  2.9186  104.381   19.249    101.683   32.382    105.854   23.937    26.182  4.7943  27.401  3.3300  -1.219622      5.837275 
1 1 1 -9  -1  41 o 24.322  3.0593  90.083    18.089    78.964    30.559    96.081    22.444    22.641  5.1547  26.003  3.2965  -3.362148      6.118648 
1 1 1 -9  -1  42 o 37.067  2.7254  203.516   24.983    184.974   41.809    213.814   31.158    35.164  4.5454  38.969  3.0084  -3.804722      5.450763 
1 1 1 -9  -1  43 o 10.554  3.1624  4.3517    13.767    13.650    27.008    1.0876    16.002    12.342  5.0772  8.7657  3.7716  3.576488       6.324737 
1 1 1 -9  -1  44 o 43.065  2.6323  265.215   28.775    291.409   48.987    251.416   35.556    44.191  4.1886  41.939  3.1891  2.252617       5.264524 
1 1 1 -9  -1  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  -1  46 o 23.318  3.7415  93.831    21.379    88.298    39.369    96.145    25.461    21.627  6.3677  25.009  3.9306  -3.382196      7.483079 
1 1 1 -9  0   1  o 496.767 13.034  33226.15  1734.24   0.0000    0.0000    33226.15  1734.24   ?       ?       496.767 13.034  ?              ?        
1 1 1 -9  0   2  o 554.789 14.274  41484.01  2121.12   0.0000    0.0000    41484.01  2121.12   ?       ?       554.789 14.274  ?              ?        
1 1 1 -9  0   3  o 355.944 6.6209  17016.14  631.036   17535.43  893.970   16500.44  890.877   361.370 9.2360  350.517 9.4890  10.85245       13.24173 
1 1 1 -9  0   4  f 401.192 7.4009  21628.80  795.282   21765.95  1125.19   21491.90  1124.20   402.467 10.438  399.918 10.495  2.549103       14.80181 
1 1 1 -9  0   5  o 379.999 7.0942  19398.53  722.021   19626.29  1020.93   19170.62  1021.25   382.237 9.9718  377.760 10.093  4.477356       14.18834 
1 1 1 -9  0   6  o 62.822  1.8454  529.112   31.025    547.671   43.537    509.962   44.223    63.942  2.5420  61.701  2.6759  2.241238       3.690836 
1 1 1 -9  0   7  o 586.656 10.739  46415.40  1686.99   47758.57  2387.43   45075.96  2384.11   595.190 14.976  578.123 15.396  17.06647       21.47831 
1 1 1 -9  0   8  o 124.542 2.6717  2080.49   89.006    1969.81   126.405   2189.32   125.349   121.252 3.8921  127.832 3.6609  -6.580620      5.343323 
1 1 1 -9  0   9  o 122.664 2.7208  2028.87   88.624    1730.48   125.768   2323.17   124.902   113.644 4.1318  131.684 3.5412  -18.03960      5.441645 
1 1 1 -9  0   10 o 319.692 5.9793  13716.37  511.994   13648.05  724.844   13784.39  723.297   318.895 8.4861  320.489 8.4259  -1.593689      11.95863 
1 1 1 -9  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  0   12 o 42.000  1.7944  237.812   19.644    305.510   28.559    177.018   27.063    47.758  2.2325  36.243  2.8098  11.51560       3.588783 
1 1 1 -9  0   13 o 268.478 5.1377  9680.09   369.013   9143.00   522.369   10215.10  521.359   261.023 7.4715  275.933 7.0541  -14.90955      10.27544 
1 1 1 -9  0   14 o 193.945 3.7777  5045.02   196.040   5338.26   278.529   4757.14   275.973   199.537 5.2114  188.352 5.4702  11.18454       7.555310 
1 1 1 -9  0   15 o 179.331 3.5965  4316.48   172.582   4119.49   245.012   4510.46   243.135   175.260 5.2193  183.402 4.9494  -8.141388      7.192921 
1 1 1 -9  0   16 o 201.808 3.9764  5470.55   214.724   5211.79   304.689   5725.86   302.651   197.051 5.7728  206.564 5.4701  -9.513245      7.952870 
1 1 1 -9  0   17 o 296.937 5.5761  11871.56  443.483   11982.77  628.664   11761.41  625.708   298.325 7.8675  295.549 7.9041  2.775696       11.15227 
1 1 1 -9  0   18 o 82.328  2.2444  920.454   48.756    752.175   69.890    1079.99   68.050    74.894  3.4840  89.762  2.8304  -14.86828      4.488806 
1 1 1 -9  0   19 o 326.529 6.1427  14417.77  537.214   14625.44  761.557   14212.08  757.926   328.884 8.6451  324.173 8.7289  4.711060       12.28544 
1 1 1 -9  0   20 o 50.018  1.8513  334.220   24.366    419.199   35.945    261.973   33.142    55.924  2.3997  44.113  2.8197  11.81113       3.702604 
1 1 1 -9  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  0   22 o 181.975 3.6734  4459.78   178.883   4289.91   254.868   4624.70   251.131   178.535 5.3297  185.416 5.0567  -6.881195      7.346810 
1 1 1 -9  0   23 o 267.319 5.1889  9670.83   371.280   9318.34   527.008   10018.18  523.152   262.422 7.4977  272.216 7.1751  -9.793579      10.37772 
1 1 1 -9  0   24 o 86.749  2.2578  1007.07   52.391    1071.48   76.416    949.934   71.968    89.359  3.1927  84.138  3.1934  5.220840       4.515667 
1 1 1 -9  0   25 o 157.053 3.2951  3320.03   138.511   3249.07   198.384   3387.53   193.478   155.398 4.7662  158.707 4.5514  -3.308945      6.590276 
1 1 1 -9  0   26 o 63.079  2.1887  548.438   35.905    428.600   52.596    653.021   49.135    56.385  3.4999  69.774  2.6291  -13.38898      4.377372 
1 1 1 -9  0   27 o 16.356  2.4665  31.529    12.183    76.015    19.195    1.5251    15.765    23.590  3.1140  9.1209  3.8259  14.46940       4.933006 
1 1 1 -9  0   28 o 206.440 4.1551  5777.59   229.625   5655.27   327.987   5895.17   321.586   204.247 5.9953  208.633 5.7547  -4.386414      8.310268 
1 1 1 -9  0   29 o 99.822  2.5063  1342.55   66.846    1328.66   97.753    1354.75   91.613    99.317  3.6747  100.328 3.4092  -1.010757      5.012549 
1 1 1 -9  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  0   31 o 69.392  2.1876  648.288   40.446    658.154   60.584    640.355   54.324    69.846  3.2384  68.939  2.9420  0.9068451      4.375195 
1 1 1 -9  0   32 o 36.579  2.1095  176.732   20.186    214.541   32.012    151.775   26.009    39.748  3.0297  33.409  2.9363  6.338749       4.219075 
1 1 1 -9  0   33 o 39.587  2.1033  206.689   21.794    259.513   34.404    171.283   28.166    43.711  2.9559  35.464  2.9932  8.247307       4.206689 
1 1 1 -9  0   34 o 34.384  2.1905  158.125   19.640    180.812   31.341    143.456   25.202    36.351  3.2533  32.417  2.9343  3.934635       4.381085 
1 1 1 -9  0   35 o 63.245  2.2218  541.249   37.155    565.604   57.408    523.693   48.741    64.361  3.3416  62.130  2.9289  2.231667       4.443511 
1 1 1 -9  0   36 o 14.955  3.0913  32.649    13.174    22.617    22.677    37.760    16.186    13.638  4.8886  16.272  3.7851  -2.633345      6.182641 
1 1 1 -9  0   37 o 31.105  2.4445  130.404   19.400    150.183   32.485    119.440   24.187    32.803  3.7656  29.408  3.1182  3.395037       4.889082 
1 1 1 -9  0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  0   39 o 11.525  2.9598  15.040    12.985    -7.3895   22.942    25.612    15.751    9.6544  4.3195  13.396  4.0477  -3.741150      5.919663 
1 1 1 -9  0   40 o 16.639  3.2459  35.801    14.576    61.911    25.888    23.683    17.637    20.248  4.8392  13.029  4.3273  7.219396       6.491747 
1 1 1 -9  0   41 o 22.140  3.2317  75.794    17.651    67.498    30.260    80.072    21.731    20.719  5.3984  23.560  3.5542  -2.840420      6.463335 
1 1 1 -9  0   42 f 19.766  3.4638  63.874    17.655    50.288    31.859    69.895    21.209    17.736  5.8123  21.796  3.7693  -4.060478      6.927506 
1 1 1 -9  0   43 o 9.4948  3.0007  -4.1068   13.986    2.4890    26.527    -6.6464   16.460    11.039  4.8025  7.9506  3.5991  3.088360       6.001427 
1 1 1 -9  0   44 o 13.005  3.4436  23.187    16.710    1.3790    31.858    31.465    19.627    11.694  5.1692  14.317  4.5511  -2.622258      6.887145 
1 1 1 -9  0   45 o 13.568  2.8884  24.557    16.911    -53.1469  31.952    54.794    19.932    8.3268  4.0954  18.810  4.0741  -10.48270      5.776741 
1 1 1 -9  0   46 o 9.8058  3.1588  -7.7067   15.745    12.471    31.227    -14.5847  18.232    12.126  5.2429  7.4853  3.5246  4.640979       6.317540 
1 1 1 -9  1   1  f 622.046 15.826  52235.04  2636.82   0.0000    0.0000    52235.04  2636.82   ?       ?       622.046 15.826  ?              ?        
1 1 1 -9  1   2  o 250.570 6.9654  8421.45   467.479   0.0000    0.0000    8421.45   467.479   ?       ?       250.570 6.9654  ?              ?        
1 1 1 -9  1   3  o 290.896 6.6781  11360.84  489.612   11375.63  851.347   11353.53  598.488   290.900 10.926  290.893 7.6813  0.7080078E-02  13.35614 
1 1 1 -9  1   4  o 149.985 3.0657  3014.35   123.155   3051.42   174.641   2977.70   173.698   150.902 4.3208  149.067 4.3503  1.834564       6.131434 
1 1 1 -9  1   5  o 453.034 8.3589  27609.17  1014.03   26860.12  1433.97   28358.38  1434.13   446.860 11.981  459.207 11.660  -12.34698      16.71781 
1 1 1 -9  1   6  o 148.666 3.0659  2964.20   121.949   2812.91   172.845   3114.15   172.082   144.883 4.4540  152.449 4.2143  -7.565430      6.131729 
1 1 1 -9  1   7  o 354.936 6.5908  16915.95  626.521   17202.80  886.871   16630.18  885.199   357.947 9.2502  351.925 9.3908  6.021454       13.18156 
1 1 1 -9  1   8  o 300.888 5.6338  12149.83  453.828   12600.18  642.809   11702.27  640.815   306.457 7.8311  295.318 8.1013  11.13971       11.26752 
1 1 1 -9  1   9  o 162.941 3.2771  3557.75   142.998   3652.27   203.038   3464.73   201.432   165.089 4.5917  160.793 4.6770  4.296432       6.554244 
1 1 1 -9  1   10 o 360.447 6.6492  17458.18  641.071   18556.88  908.360   16367.90  904.874   371.782 9.1218  349.112 9.6769  22.66953       13.29846 
1 1 1 -9  1   11 o 146.687 4.3215  2891.41   169.399   2703.93   241.861   3071.94   237.337   142.003 6.3589  151.372 5.8537  -9.369507      8.642976 
1 1 1 -9  1   12 o 184.641 3.7650  4592.29   184.928   3982.69   261.961   5197.88   261.097   172.355 5.6744  196.927 4.9500  -24.57184      7.530070 
1 1 1 -9  1   13 o 313.782 5.8450  13222.07  491.050   13688.07  695.946   12760.05  692.964   319.301 8.1374  308.262 8.3927  11.03830       11.68994 
1 1 1 -9  1   14 o 284.995 5.4030  10908.49  412.332   10651.99  584.120   11163.24  582.135   281.645 7.7430  288.345 7.5374  -6.699921      10.80590 
1 1 1 -9  1   15 o 99.030  2.3508  1315.22   62.303    1282.13   89.223    1346.72   87.037    97.812  3.4056  100.249 3.2414  -2.436539      4.701620 
1 1 1 -9  1   16 o 389.724 7.2045  20517.35  750.614   22046.44  1064.20   19003.53  1058.88   404.292 9.8274  375.156 10.538  29.13541       14.40904 
1 1 1 -9  1   17 o 259.791 5.0107  9087.78   348.386   8695.97   493.859   9475.92   491.533   254.184 7.2538  265.398 6.9146  -11.21448      10.02142 
1 1 1 -9  1   18 o 169.396 3.4674  3857.51   157.162   3690.47   223.675   4020.39   220.873   165.757 5.0380  173.034 4.7656  -7.277328      6.934872 
1 1 1 -9  1   19 o 141.554 2.9870  2689.60   113.234   2713.63   161.857   2666.58   158.471   142.171 4.2504  140.937 4.1979  1.233612       5.973998 
1 1 1 -9  1   20 o 79.629  2.1967  857.772   46.441    750.432   67.064    956.670   64.373    74.792  3.3477  84.466  2.8453  -9.674309      4.393487 
1 1 1 -9  1   21 o 132.447 4.0104  2361.17   142.208   2385.92   204.653   2338.06   197.749   133.109 5.7401  131.785 5.6022  1.324707       8.020838 
1 1 1 -9  1   22 o 212.849 4.2491  6114.25   241.902   5789.52   344.037   6431.78   340.198   207.208 6.1988  218.489 5.8132  -11.28076      8.498137 
1 1 1 -9  1   23 o 232.373 4.5014  7285.84   279.965   7664.52   398.768   6917.75   393.152   238.359 6.2460  226.386 6.4837  11.97307       9.002788 
1 1 1 -9  1   24 o 117.858 2.6741  1864.06   84.363    1903.66   121.917   1827.68   116.859   119.055 3.8232  116.662 3.7398  2.392845       5.348143 
1 1 1 -9  1   25 o 119.014 2.7479  1905.90   87.441    1841.47   126.110   1965.56   121.347   117.060 4.0221  120.967 3.7452  -3.907280      5.495771 
1 1 1 -9  1   26 o 71.306  2.0997  677.909   39.942    767.845   59.039    601.998   54.240    75.641  2.9140  66.971  3.0237  8.670517       4.199342 
1 1 1 -9  1   27 o 218.126 4.3287  6443.44   252.841   6398.95   360.862   6486.34   354.369   217.356 6.1984  218.896 6.0441  -1.539551      8.657432 
1 1 1 -9  1   28 o 43.130  2.0782  250.572   23.625    254.613   36.168    247.564   31.202    43.411  3.1315  42.848  2.7329  0.5629044      4.156342 
1 1 1 -9  1   29 o 88.964  2.4194  1068.66   57.378    1033.23   84.570    1098.88   78.104    87.567  3.6057  90.360  3.2270  -2.793800      4.838873 
1 1 1 -9  1   30 o 91.821  2.8828  1151.12   68.661    1182.62   87.864    1101.72   110.036   93.623  3.5038  90.018  4.5788  3.605301       5.765588 
1 1 1 -9  1   31 o 67.248  2.1355  603.181   38.250    684.369   57.775    539.823   51.038    71.231  3.0282  63.265  3.0119  7.965546       4.271003 
1 1 1 -9  1   32 o 26.182  2.3061  92.092    15.600    106.585   24.721    82.501    20.110    27.857  3.3825  24.508  3.1353  3.348976       4.612134 
1 1 1 -9  1   33 o 57.418  2.1032  440.343   32.023    498.949   49.288    397.531   42.126    60.705  3.0313  54.131  2.9162  6.573490       4.206314 
1 1 1 -9  1   34 f 54.486  2.1994  406.063   31.414    393.461   48.698    415.044   41.111    53.668  3.4054  55.304  2.7842  -1.635933      4.398708 
1 1 1 -9  1   35 o 59.347  2.3047  489.688   35.609    430.563   54.671    533.250   46.928    55.986  3.6660  62.708  2.7939  -6.721992      4.609327 
1 1 1 -9  1   36 o 29.718  2.4263  118.960   18.569    139.457   30.195    106.494   23.548    31.686  3.6229  27.750  3.2285  3.936670       4.852641 
1 1 1 -9  1   37 o 16.616  2.8588  27.893    13.866    78.938    24.857    4.8334    16.707    23.528  4.0928  9.7032  3.9926  13.82510       5.717687 
1 1 1 -9  1   38 o 28.862  2.6713  116.669   19.352    121.400   32.326    114.025   24.160    29.116  4.2721  28.608  3.2083  0.5077171      5.342650 
1 1 1 -9  1   39 o 19.089  3.3640  52.852    16.518    60.256    28.153    48.965    20.398    19.945  5.2122  18.234  4.2543  1.710644       6.728025 
1 1 1 -9  1   40 o 12.704  3.2081  21.263    14.533    2.1436    26.004    29.947    17.525    11.130  4.7984  14.278  4.2596  -3.147692      6.416277 
1 1 1 -9  1   41 o 35.255  2.6550  175.480   23.705    194.023   40.135    165.547   29.376    36.352  4.1993  34.158  3.2500  2.193237       5.310032 
1 1 1 -9  1   42 o 6.5534  2.1938  -20.9287  11.196    -70.4715  22.205    -4.0386   12.965    5.8283  2.9448  7.2786  3.2525  -1.450282      4.387571 
1 1 1 -9  1   43 o 17.492  3.4179  52.047    17.122    29.117    30.804    62.300    20.597    14.586  5.6057  20.398  3.9122  -5.812331      6.835886 
1 1 1 -9  1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  1   45 o 28.606  3.2871  125.615   22.677    143.890   40.866    117.484   27.258    29.296  5.4071  27.916  3.7394  1.379385       6.574212 
1 1 1 -9  2   1  f 464.386 12.398  29024.17  1542.08   0.0000    0.0000    29024.17  1542.08   ?       ?       464.386 12.398  ?              ?        
1 1 1 -9  2   2  o 214.716 5.8200  6180.97   334.718   0.0000    0.0000    6180.97   334.718   ?       ?       214.716 5.8200  ?              ?        
1 1 1 -9  2   3  o 296.166 7.8238  11769.78  620.641   0.0000    0.0000    11769.78  620.641   ?       ?       296.166 7.8238  ?              ?        
1 1 1 -9  2   4  o 555.235 10.209  41562.81  1517.74   42822.39  2147.76   40306.40  2145.06   563.692 14.225  546.778 14.647  16.91321       20.41761 
1 1 1 -9  2   5  o 475.107 8.7495  30372.89  1113.38   30747.35  1575.32   29999.18  1573.78   478.045 12.303  472.168 12.444  5.877045       17.49903 
1 1 1 -9  2   6  o 353.172 6.5499  16748.83  619.508   17101.46  876.990   16397.59  875.246   356.891 9.1742  349.453 9.3509  7.438873       13.09983 
1 1 1 -9  2   7  f 139.987 3.0341  2648.98   112.329   2170.13   159.096   3124.98   158.621   127.254 4.6676  152.720 3.8777  -25.46594      6.068231 
1 1 1 -9  2   8  o 205.177 3.9472  5643.44   216.904   5720.56   306.442   5566.01   307.055   206.583 5.5381  203.771 5.6258  2.812607       7.894358 
1 1 1 -9  2   9  o 577.100 10.543  44894.87  1629.76   44852.14  2304.42   44937.63  2305.22   576.824 14.915  577.375 14.906  -0.5516968     21.08689 
1 1 1 -9  2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  2   11 o 421.624 7.8705  23902.55  888.776   23595.23  1256.30   24210.49  1257.54   418.901 11.197  424.347 11.064  -5.446503      15.74100 
1 1 1 -9  2   12 o 102.042 2.2921  1394.99   62.646    1391.81   88.287    1398.22   88.907    101.925 3.2339  102.159 3.2491  -0.2341309     4.584206 
1 1 1 -9  2   13 o 288.921 5.4580  11206.41  422.378   11175.15  596.892   11237.77  597.776   288.517 7.7239  289.325 7.7137  -0.8080444     10.91603 
1 1 1 -9  2   14 o 472.329 8.7560  30108.37  1107.75   30088.88  1566.18   30127.88  1567.00   472.176 12.384  472.483 12.382  -0.3063965     17.51202 
1 1 1 -9  2   15 o 237.671 4.5745  7585.54   291.208   7562.21   411.438   7608.96   412.224   237.305 6.4731  238.038 6.4655  -0.7330933     9.148909 
1 1 1 -9  2   16 o 100.633 2.3299  1358.49   62.745    1418.81   88.489    1297.49   88.983    102.883 3.2111  98.382  3.3768  4.501160       4.659801 
1 1 1 -9  2   17 o 165.942 3.3667  3696.65   149.639   3692.92   211.252   3700.40   211.992   165.859 4.7553  166.025 4.7671  -0.1670074     6.733338 
1 1 1 -9  2   18 o 144.901 3.0235  2818.88   117.323   2875.13   165.634   2762.24   166.208   146.356 4.2252  143.446 4.3259  2.909973       6.046969 
1 1 1 -9  2   19 o 77.827  2.0669  812.430   43.072    828.632   60.604    795.893   61.226    78.612  2.8782  77.041  2.9671  1.571495       4.133707 
1 1 1 -9  2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  2   21 o 215.356 4.2320  6249.69   244.094   6156.36   344.809   6343.44   345.593   213.736 6.0230  216.976 5.9465  -3.240265      8.463914 
1 1 1 -9  2   22 o 269.042 5.2415  9791.57   377.698   9890.58   533.970   9692.42   534.321   270.417 7.3721  267.666 7.4528  2.751709       10.48298 
1 1 1 -9  2   23 o 112.884 2.5931  1711.05   78.400    1725.07   110.523   1696.85   111.229   113.352 3.6403  112.416 3.6940  0.9349594      5.186263 
1 1 1 -9  2   24 o 51.749  1.8673  359.769   25.825    367.237   36.300    352.114   36.750    52.330  2.5898  51.168  2.6909  1.162048       3.734688 
1 1 1 -9  2   25 o 82.884  2.2011  923.359   48.774    984.740   68.809    861.375   69.146    85.663  2.9989  80.105  3.2227  5.557777       4.402177 
1 1 1 -9  2   26 o 81.000  2.1144  880.743   45.860    851.442   64.570    910.569   65.146    79.638  3.0270  82.362  2.9530  -2.723579      4.228885 
1 1 1 -9  2   27 o 55.951  2.5429  425.761   34.795    413.342   62.749    431.275   41.811    55.226  4.2753  56.677  2.7542  -1.450603      5.085703 
1 1 1 -9  2   28 o 53.745  2.1603  394.904   30.476    347.841   45.655    432.730   40.930    50.732  3.3792  56.758  2.6923  -6.025440      4.320583 
1 1 1 -9  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  2   30 o 52.753  2.0782  373.617   29.053    396.006   44.184    356.564   38.561    54.121  3.0605  51.385  2.8124  2.735714       4.156470 
1 1 1 -9  2   31 o 21.724  2.4493  62.484    13.446    87.277    21.533    46.638    17.214    25.207  3.2661  18.240  3.6509  6.966604       4.898620 
1 1 1 -9  2   32 o 40.362  2.0900  215.823   22.143    259.854   34.850    186.014   28.675    43.738  2.9928  36.987  2.9182  6.751427       4.180041 
1 1 1 -9  2   33 o 41.411  2.1151  228.716   22.999    263.305   36.274    205.464   29.741    43.964  3.1003  38.859  2.8779  5.105141       4.230147 
1 1 1 -9  2   34 f 30.647  2.3611  131.092   18.370    121.774   29.482    137.005   23.487    29.612  3.8052  31.683  2.7963  -2.070900      4.722154 
1 1 1 -9  2   35 o 64.421  2.4018  581.280   40.159    492.988   61.331    647.547   53.133    59.797  3.8497  69.045  2.8731  -9.247761      4.803581 
1 1 1 -9  2   36 o 31.656  2.5307  141.855   20.144    129.515   32.668    149.426   25.588    30.322  4.1298  32.991  2.9261  -2.668699      5.061374 
1 1 1 -9  2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  2   38 o 10.686  2.9897  8.4411    13.488    -9.2018   22.507    18.328    16.849    9.3914  4.2338  11.981  4.2224  -2.589664      5.979393 
1 1 1 -9  2   39 o 31.878  2.6084  138.553   21.047    166.904   36.038    123.877   25.929    34.104  4.0225  29.653  3.3217  4.451593       5.216733 
1 1 1 -9  2   40 o 32.841  2.7277  155.935   22.471    154.269   37.326    156.882   28.142    32.336  4.4257  33.346  3.1898  -1.009266      5.455391 
1 1 1 -9  2   41 o 31.280  2.9542  149.715   22.161    127.154   37.427    161.894   27.500    28.718  5.0500  33.842  3.0671  -5.123898      5.908406 
1 1 1 -9  2   42 o 24.752  3.3570  94.558    19.967    93.715    35.719    94.941    24.080    24.004  5.6495  25.500  3.6278  -1.496393      6.714046 
1 1 1 -9  2   43 o 24.986  3.3956  87.618    20.814    133.969   37.588    67.121    24.996    29.230  4.9794  20.741  4.6180  8.489277       6.791216 
1 1 1 -9  2   44 o 24.594  3.4802  84.409    20.895    142.638   38.794    60.613    24.800    29.808  5.0385  19.380  4.8021  10.42823       6.960352 
1 1 1 -9  2   45 o 10.413  3.2981  -2.2210   16.151    15.560    33.015    -7.8151   18.518    12.661  5.4318  8.1645  3.7423  4.496818       6.596140 
1 1 1 -9  3   1  o 185.170 5.1618  4595.90   256.014   0.0000    0.0000    4595.90   256.014   ?       ?       185.170 5.1618  ?              ?        
1 1 1 -9  3   2  o 484.464 12.610  31592.31  1636.30   0.0000    0.0000    31592.31  1636.30   ?       ?       484.464 12.610  ?              ?        
1 1 1 -9  3   3  o 216.025 5.8645  6256.57   339.331   0.0000    0.0000    6256.57   339.331   ?       ?       216.025 5.8645  ?              ?        
1 1 1 -9  3   4  o 435.929 11.361  25552.04  1326.56   0.0000    0.0000    25552.04  1326.56   ?       ?       435.929 11.361  ?              ?        
1 1 1 -9  3   5  o 476.007 8.7697  30488.87  1118.05   30873.23  1581.09   30104.43  1581.24   479.022 12.323  472.992 12.481  6.030121       17.53944 
1 1 1 -9  3   6  o 152.111 3.0717  3100.41   125.141   3055.63   176.592   3145.58   177.361   151.007 4.3660  153.214 4.3219  -2.207489      6.143340 
1 1 1 -9  3   7  o 68.786  1.8826  633.776   34.685    631.516   48.815    636.081   49.292    68.662  2.6543  68.910  2.6706  -0.2476273     3.765285 
1 1 1 -9  3   8  o 262.595 5.0275  9248.94   353.598   9339.08   499.825   9158.63   500.302   263.878 7.0717  261.312 7.1480  2.565887       10.05501 
1 1 1 -9  3   9  o 398.596 7.3791  21347.84  787.782   21096.77  1113.58   21599.36  1114.60   396.243 10.492  400.950 10.379  -4.706360      14.75822 
1 1 1 -9  3   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  3   11 o 209.955 4.0313  5910.57   226.678   6005.68   320.337   5815.18   320.805   211.649 5.6507  208.261 5.7510  3.387909       8.062526 
1 1 1 -9  3   12 o 161.697 3.3160  3504.49   143.617   3498.82   202.790   3510.20   203.423   161.565 4.6861  161.828 4.6931  -0.2623901     6.632059 
1 1 1 -9  3   13 o 527.972 9.7468  37665.42  1377.84   36451.93  1947.26   38882.14  1949.85   519.383 13.997  536.561 13.567  -17.17865      19.49356 
1 1 1 -9  3   14 o 346.113 6.4336  16122.64  596.306   15729.19  842.632   16517.35  843.977   341.863 9.2023  350.362 8.9934  -8.499023      12.86716 
1 1 1 -9  3   15 o 209.213 4.1384  5876.95   231.901   5847.66   327.579   5906.38   328.338   208.689 5.8604  209.736 5.8447  -1.046494      8.276730 
1 1 1 -9  3   16 o 173.272 3.4589  4030.07   160.524   3984.86   226.627   4075.59   227.407   172.295 4.9108  174.249 4.8724  -1.953705      6.917805 
1 1 1 -9  3   17 o 213.105 4.1883  6107.05   239.057   6025.17   337.632   6189.37   338.523   211.667 5.9553  214.542 5.8910  -2.874268      8.376681 
1 1 1 -9  3   18 o 211.917 4.1330  6042.81   234.572   5930.30   331.268   6155.95   332.204   209.930 5.8914  213.903 5.7983  -3.972519      8.266088 
1 1 1 -9  3   19 o 57.487  1.8543  443.044   28.550    442.496   40.143    443.605   40.614    57.451  2.6087  57.523  2.6360  -0.7131958E-01 3.708612 
1 1 1 -9  3   20 o 122.359 5.4841  2015.15   179.734   2015.15   179.734   0.0000    0.0000    122.359 5.4841  ?       ?       ?              ?        
1 1 1 -9  3   21 o 169.589 3.5224  3869.62   159.956   3969.75   225.986   3769.10   226.440   171.798 4.9110  167.380 5.0508  4.418671       7.044785 
1 1 1 -9  3   22 o 69.654  1.9975  650.862   37.259    659.404   52.370    642.105   53.021    70.118  2.7884  69.190  2.8610  0.9285355      3.995073 
1 1 1 -9  3   23 o 118.934 2.7019  1899.74   86.071    1893.14   121.375   1906.41   122.073   118.726 3.8167  119.141 3.8253  -0.4148331     5.403756 
1 1 1 -9  3   24 f 86.396  2.2421  1001.64   51.879    982.390   72.936    1021.35   73.807    85.555  3.1828  87.237  3.1587  -1.681564      4.484119 
1 1 1 -9  3   25 f 151.434 3.1380  3085.82   127.281   3074.94   179.644   3096.79   180.363   151.165 4.4368  151.701 4.4388  -0.5358582     6.276034 
1 1 1 -9  3   26 o 61.442  1.9623  506.614   32.288    493.017   45.315    520.635   46.017    60.604  2.7916  62.280  2.7585  -1.675961      3.924605 
1 1 1 -9  3   27 o 22.709  2.2825  70.785    13.372    59.745    18.594    82.611    19.244    20.801  3.4588  24.618  2.9792  -3.816982      4.564981 
1 1 1 -9  3   28 o 81.416  2.2011  892.071   47.982    914.477   67.624    869.353   68.093    82.452  3.0621  80.380  3.1628  2.071808       4.402198 
1 1 1 -9  3   29 o 53.325  2.4033  400.314   31.848    435.445   39.691    336.810   53.364    56.905  2.6041  49.746  4.0400  7.159420       4.806507 
1 1 1 -9  3   30 o 29.443  2.0146  118.015   15.671    122.426   21.988    113.462   22.341    30.021  2.7656  28.865  2.9302  1.155573       4.029212 
1 1 1 -9  3   31 o 71.752  2.0967  696.166   40.228    742.412   56.898    649.943   56.884    74.158  2.8645  69.347  3.0625  4.811234       4.193348 
1 1 1 -9  3   32 o 86.023  2.2596  1003.03   52.063    991.039   73.476    1015.13   73.781    85.503  3.2083  86.544  3.1829  -1.041283      4.519282 
1 1 1 -9  3   33 o 27.543  2.3944  98.201    16.558    147.257   27.219    69.383    20.862    32.794  3.1370  22.291  3.6182  10.50303       4.788790 
1 1 1 -9  3   34 o 24.767  2.5560  80.150    15.927    111.591   26.758    62.898    19.821    28.362  3.6037  21.172  3.6256  7.190006       5.111931 
1 1 1 -9  3   35 o 22.426  2.7634  65.031    15.430    104.351   26.125    43.968    19.121    27.349  3.6579  17.503  4.1430  9.846722       5.526709 
1 1 1 -9  3   36 o 44.443  2.3838  278.293   27.121    248.861   43.148    297.516   34.870    42.246  3.8557  46.641  2.8043  -4.394962      4.767666 
1 1 1 -9  3   37 o 22.236  3.0156  68.606    16.652    82.348    28.554    61.523    20.499    23.748  4.6555  20.724  3.8341  3.023094       6.031126 
1 1 1 -9  3   38 f 22.974  3.2393  77.344    18.237    78.744    31.799    76.658    22.263    22.800  5.3064  23.147  3.7167  -0.3464565     6.478563 
1 1 1 -9  3   39 o 63.980  2.4565  573.812   41.158    586.489   65.118    565.378   53.112    64.225  3.8023  63.734  3.1112  0.4910889      4.912983 
1 1 1 -9  3   40 o 29.549  3.2941  144.891   22.370    90.677    37.112    175.827   28.035    23.722  5.8723  35.376  2.9866  -11.65403      6.588109 
1 1 1 -9  3   41 o 13.259  3.3193  25.043    14.495    15.668    26.829    28.907    17.226    12.611  5.1082  13.907  4.2399  -1.295733      6.638591 
1 1 1 -9  3   42 o 19.842  3.5676  55.027    17.835    87.121    33.301    42.118    21.120    23.221  5.4479  16.463  4.6076  6.757971       7.135147 
1 1 1 -9  3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  3   44 o 14.739  3.6749  34.705    17.217    30.693    33.220    36.179    20.131    14.470  5.7441  15.008  4.5853  -0.5382156     7.349780 
1 1 1 -9  4   1  o 664.567 17.297  59715.55  3078.90   0.0000    0.0000    59715.55  3078.90   ?       ?       664.567 17.297  ?              ?        
1 1 1 -9  4   2  o 338.639 8.9097  15396.62  808.148   0.0000    0.0000    15396.62  808.148   ?       ?       338.639 8.9097  ?              ?        
1 1 1 -9  4   3  o 684.600 17.764  63386.48  3257.45   0.0000    0.0000    63386.48  3257.45   ?       ?       684.600 17.764  ?              ?        
1 1 1 -9  4   4  o 828.970 21.598  93354.76  4795.52   0.0000    0.0000    93354.76  4795.52   ?       ?       828.970 21.598  ?              ?        
1 1 1 -9  4   5  o 414.462 10.770  23086.26  1195.57   0.0000    0.0000    23086.26  1195.57   ?       ?       414.462 10.770  ?              ?        
1 1 1 -9  4   6  o 131.332 2.7465  2311.12   96.597    2260.10   136.409   2362.43   136.810   129.878 3.9212  132.787 3.8466  -2.908768      5.492904 
1 1 1 -9  4   7  o 138.308 2.8613  2563.10   105.999   2569.87   149.718   2556.30   150.093   138.491 4.0361  138.124 4.0570  0.3664703      5.722686 
1 1 1 -9  4   8  o 390.602 7.2484  20497.37  758.346   20458.13  1072.20   20536.66  1072.72   390.227 10.258  390.977 10.243  -0.7500305     14.49689 
1 1 1 -9  4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  4   10 o 357.796 6.6507  17195.94  637.330   16956.63  900.816   17435.78  901.827   355.296 9.4658  360.295 9.3449  -4.998596      13.30145 
1 1 1 -9  4   11 o 254.018 4.9225  8657.40   334.895   8761.49   473.441   8553.17   473.787   255.549 6.9168  252.486 7.0058  3.062195       9.844913 
1 1 1 -9  4   12 o 305.051 5.7694  12498.58  471.401   12422.77  666.328   12574.54  666.996   304.123 8.1799  305.979 8.1385  -1.856598      11.53888 
1 1 1 -9  4   13 o 223.036 4.2535  6675.74   254.056   6515.94   358.840   6836.35   359.742   220.355 6.0798  225.717 5.9503  -5.362335      8.507036 
1 1 1 -9  4   14 o 257.772 4.8996  8928.64   338.273   8837.41   478.000   9020.17   478.783   256.449 6.9589  259.095 6.8991  -2.645630      9.799128 
1 1 1 -9  4   15 o 111.522 2.4491  1667.47   73.156    1675.03   103.213   1659.85   103.705   111.776 3.4474  111.268 3.4797  0.5085068      4.898273 
1 1 1 -9  4   16 o 153.991 3.1685  3183.24   130.641   3077.50   184.346   3289.92   185.166   151.416 4.5454  156.565 4.4155  -5.148529      6.336963 
1 1 1 -9  4   17 o 116.500 2.5777  1820.76   80.432    1795.51   113.451   1846.28   114.047   115.687 3.6613  117.313 3.6295  -1.626045      5.155430 
1 1 1 -9  4   18 o 298.607 5.6624  12054.99  452.879   12106.93  640.210   12002.96  640.725   299.258 7.9871  297.956 8.0284  1.302307       11.32471 
1 1 1 -9  4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  4   20 o 151.252 3.1685  3074.61   128.361   3091.73   181.252   3057.39   181.809   151.677 4.4614  150.827 4.5004  0.8492889      6.337008 
1 1 1 -9  4   21 o 181.001 3.6000  4408.57   174.508   4321.75   246.362   4496.01   247.224   179.205 5.1326  182.796 5.0493  -3.591553      7.199941 
1 1 1 -9  4   22 o 218.623 4.2884  6446.04   251.111   6490.38   354.811   6401.54   355.440   219.383 6.0382  217.863 6.0911  1.519913       8.576768 
1 1 1 -9  4   23 o 76.542  2.0852  786.504   42.723    811.766   60.078    760.660   60.766    77.789  2.8834  75.295  3.0130  2.494293       4.170426 
1 1 1 -9  4   24 o 22.911  2.0656  71.825    12.332    75.596    17.026    67.664    17.886    23.579  2.7473  22.243  3.0853  1.336771       4.131238 
1 1 1 -9  4   25 o 74.201  2.0905  738.928   41.538    716.877   58.290    761.678   59.206    73.076  2.9781  75.327  2.9345  -2.251427      4.180912 
1 1 1 -9  4   26 o 92.266  2.2821  1144.04   56.393    1125.72   79.380    1162.70   80.130    91.519  3.2382  93.013  3.2163  -1.493423      4.564105 
1 1 1 -9  4   27 o 105.553 2.4870  1499.98   70.286    1444.99   98.932    1556.02   99.873    103.593 3.5655  107.514 3.4681  -3.921600      4.973986 
1 1 1 -9  4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  4   29 o 38.455  1.9085  199.982   19.527    198.851   27.259    201.174   27.987    38.346  2.6706  38.563  2.7272  -0.2165451     3.817044 
1 1 1 -9  4   30 o 72.172  2.0883  702.958   40.369    698.876   56.809    707.121   57.376    71.962  2.9473  72.383  2.9594  -0.4209671     4.176688 
1 1 1 -9  4   31 o 36.913  1.9406  185.176   19.027    192.070   26.647    178.006   27.176    37.633  2.6607  36.193  2.8257  1.440357       3.881280 
1 1 1 -9  4   32 o 20.199  2.3788  56.801    12.410    54.935    17.210    58.822    17.913    19.848  3.3570  20.551  3.3713  -0.7030754     4.757612 
1 1 1 -9  4   33 o 36.836  1.9511  184.754   19.108    184.166   26.782    185.364   27.270    36.781  2.7382  36.892  2.7802  -0.1106758     3.902163 
1 1 1 -9  4   34 o 58.061  2.0332  458.906   31.523    482.124   44.469    435.454   44.693    59.601  2.7856  56.520  2.9625  3.080685       4.066426 
1 1 1 -9  4   35 o 33.125  2.0736  150.791   18.189    155.023   25.427    146.357   26.029    33.627  2.8498  32.623  3.0129  1.004677       4.147197 
1 1 1 -9  4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  4   37 o 26.870  3.0597  113.123   19.365    77.697    32.050    133.492   24.302    22.708  5.3561  31.031  2.9598  -8.322466      6.119470 
1 1 1 -9  4   38 o 24.169  3.0361  81.972    18.254    99.190    31.160    72.976    22.524    25.883  4.6662  22.455  3.8856  3.428116       6.072222 
1 1 1 -9  4   39 o 19.356  3.4240  58.935    17.220    50.155    29.913    63.287    21.059    17.957  5.6065  20.755  3.9322  -2.797562      6.848002 
1 1 1 -9  4   40 o 9.0786  2.8878  -6.9561   12.965    3.1860    25.094    -10.6488  15.142    10.953  4.7179  7.2042  3.3316  3.748841       5.775607 
1 1 1 -9  4   41 o 20.805  3.5060  69.099    18.289    63.516    33.026    71.569    21.965    19.639  5.8448  21.971  3.8739  -2.332499      7.012047 
1 1 1 -9  4   42 o 14.041  3.4254  18.627    15.585    55.801    29.166    3.7706    18.438    18.450  5.4931  9.6328  4.0939  8.817000       6.850816 
1 1 1 -9  4   43 o 10.633  3.2754  1.0400    15.427    16.063    30.385    -4.1779   17.907    12.769  5.3304  8.4973  3.8080  4.271371       6.550879 
1 1 1 -9  4   44 o 19.989  3.6615  57.115    18.608    105.819   35.709    38.959    21.802    24.659  5.5415  15.318  4.7871  9.340817       7.322907 
1 1 1 -9  5   1  o 301.727 7.9973  12217.09  646.315   0.0000    0.0000    12217.09  646.315   ?       ?       301.727 7.9973  ?              ?        
1 1 1 -9  5   2  o 441.800 11.510  26249.05  1361.99   0.0000    0.0000    26249.05  1361.99   ?       ?       441.800 11.510  ?              ?        
1 1 1 -9  5   3  o 344.296 9.0873  15916.03  838.027   0.0000    0.0000    15916.03  838.027   ?       ?       344.296 9.0873  ?              ?        
1 1 1 -9  5   4  o 545.930 14.195  40159.86  2075.68   0.0000    0.0000    40159.86  2075.68   ?       ?       545.930 14.195  ?              ?        
1 1 1 -9  5   5  o 366.357 9.5993  18024.72  941.965   0.0000    0.0000    18024.72  941.965   ?       ?       366.357 9.5993  ?              ?        
1 1 1 -9  5   6  o 115.252 3.5555  1779.60   109.760   0.0000    0.0000    1779.60   109.760   ?       ?       115.252 3.5555  ?              ?        
1 1 1 -9  5   7  f 515.049 9.4420  35722.62  1302.34   34937.91  1841.09   36508.51  1842.48   509.357 13.495  520.740 13.210  -11.38272      18.88397 
1 1 1 -9  5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  5   9  o 652.230 12.018  57535.09  2098.77   55657.11  2966.50   59417.18  2969.74   641.472 17.265  662.989 16.723  -21.51624      24.03674 
1 1 1 -9  5   10 o 514.240 9.4956  35650.63  1307.90   35785.32  1849.55   35515.93  1849.73   515.218 13.403  513.262 13.455  1.956116       18.99111 
1 1 1 -9  5   11 o 133.211 2.8685  2378.24   102.340   2336.28   144.513   2420.45   144.948   132.032 4.0864  134.391 4.0268  -2.358673      5.737011 
1 1 1 -9  5   12 o 120.027 2.6240  1930.87   84.343    1883.35   119.025   1978.80   119.535   118.543 3.7486  121.512 3.6727  -2.968658      5.247943 
1 1 1 -9  5   13 o 238.167 4.5398  7617.56   289.605   7565.66   409.264   7669.62   409.863   237.353 6.4375  238.982 6.4030  -1.628647      9.079680 
1 1 1 -9  5   14 o 330.758 6.2006  14747.56  549.311   14600.39  776.440   14895.05  777.248   329.096 8.8084  332.419 8.7294  -3.323792      12.40122 
1 1 1 -9  5   15 o 261.537 4.9533  9208.43   346.988   9200.90   490.404   9215.98   491.028   261.431 7.0034  261.644 7.0066  -0.2135620     9.906551 
1 1 1 -9  5   16 o 106.443 2.4108  1519.75   68.726    1538.55   96.977    1500.78   97.410    107.106 3.3804  105.780 3.4380  1.325203       4.821528 
1 1 1 -9  5   17 o 165.169 3.4124  3666.02   150.945   3588.18   213.120   3744.37   213.819   163.405 4.8693  166.934 4.7820  -3.528656      6.824829 
1 1 1 -9  5   18 o 267.530 10.362  9748.54   742.498   0.0000    0.0000    9748.54   742.498   ?       ?       267.530 10.362  ?              ?        
1 1 1 -9  5   19 o 186.446 3.7371  4678.34   186.570   4534.87   263.393   4822.80   264.309   183.564 5.3571  189.327 5.2121  -5.762451      7.474216 
1 1 1 -9  5   20 o 227.336 4.4338  6970.78   269.979   6917.44   381.499   7024.29   382.119   226.460 6.2895  228.212 6.2513  -1.752228      8.867701 
1 1 1 -9  5   21 o 264.179 5.1256  9439.38   362.668   9327.59   512.487   9551.52   513.295   262.599 7.2862  265.760 7.2109  -3.160461      10.25112 
1 1 1 -9  5   22 o 85.991  2.2620  992.922   52.062    1029.69   73.340    955.578   73.918    87.600  3.1257  84.381  3.2705  3.218880       4.523952 
1 1 1 -9  5   23 o 37.802  1.8925  192.695   19.023    194.453   26.461    190.814   27.367    37.987  2.6166  37.617  2.7349  0.3697739      3.785017 
1 1 1 -9  5   24 o 186.314 3.6854  4681.01   183.904   4607.97   259.693   4754.49   260.468   184.848 5.2451  187.781 5.1786  -2.932114      7.370856 
1 1 1 -9  5   25 o 225.629 4.4117  6903.62   266.397   6570.13   376.093   7239.41   377.394   220.096 6.3796  231.162 6.0952  -11.06505      8.823326 
1 1 1 -9  5   26 o 111.909 2.5833  1685.92   77.430    1662.23   109.123   1709.95   109.886   111.115 3.6665  112.703 3.6401  -1.588058      5.166637 
1 1 1 -9  5   27 o 63.093  2.4289  548.728   38.933    497.711   64.224    578.369   48.953    60.597  3.9790  65.590  2.7865  -4.993229      4.857705 
1 1 1 -9  5   28 o 41.944  1.8770  237.645   20.940    219.680   29.368    256.223   29.865    40.314  2.7360  43.574  2.5703  -3.260086      3.753931 
1 1 1 -9  5   29 o 51.636  1.9164  360.443   26.391    371.064   37.003    349.448   37.650    52.423  2.6438  50.848  2.7749  1.575142       3.832725 
1 1 1 -9  5   30 o 28.713  2.0472  112.481   15.521    113.557   21.686    111.351   22.225    28.865  2.8417  28.562  2.9475  0.3036709      4.094307 
1 1 1 -9  5   31 o 60.611  2.0518  498.159   33.210    522.151   46.735    473.688   47.200    62.144  2.8077  59.079  2.9926  3.065319       4.103507 
1 1 1 -9  5   32 o 14.133  2.6298  27.994    10.395    37.794    14.855    18.591    14.551    16.359  3.4963  11.908  3.9294  4.451257       5.259628 
1 1 1 -9  5   33 o 55.512  2.0132  419.025   29.828    409.947   41.775    428.467   42.604    54.896  2.8510  56.128  2.8432  -1.231709      4.026345 
1 1 1 -9  5   34 o 59.423  2.0626  482.048   32.692    514.572   46.019    448.911   46.451    61.529  2.7923  57.317  3.0365  4.211975       4.125218 
1 1 1 -9  5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  5   36 o 22.556  2.5141  72.681    14.327    52.499    19.889    94.450    20.656    19.046  4.0248  26.067  3.0141  -7.021454      5.028277 
1 1 1 -9  5   37 o 48.733  2.0853  328.905   27.042    350.051   38.195    307.654   38.290    50.365  2.8429  47.101  3.0515  3.264034       4.170599 
1 1 1 -9  5   38 o 18.530  2.7975  50.483    13.681    31.337    18.758    72.239    19.996    14.591  4.4192  22.468  3.4316  -7.877082      5.595065 
1 1 1 -9  5   39 o 40.493  3.2383  246.227   29.479    235.861   57.585    249.908   34.317    38.821  5.7084  42.165  3.0593  -3.344193      6.476509 
1 1 1 -9  5   40 o 21.877  3.4340  79.160    18.741    59.126    33.077    88.633    22.744    19.036  5.8879  24.719  3.5360  -5.683018      6.868055 
1 1 1 -9  5   41 o 9.7946  3.0664  -3.4972   13.954    8.4048    27.480    -7.6327   16.198    11.810  5.0076  7.7789  3.5405  4.031404       6.132780 
1 1 1 -9  5   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  5   43 o 13.205  3.5031  15.604    15.510    50.190    31.012    4.0669    17.911    16.994  5.7389  9.4154  4.0189  7.578795       7.006237 
1 1 1 -9  6   1  o 588.861 15.385  46785.16  2426.68   46785.16  2426.68   0.0000    0.0000    588.861 15.385  ?       ?       ?              ?        
1 1 1 -9  6   2  o 289.191 7.6692  11220.67  594.047   0.0000    0.0000    11220.67  594.047   ?       ?       289.191 7.6692  ?              ?        
1 1 1 -9  6   3  o 271.384 7.2238  9879.15   525.094   0.0000    0.0000    9879.15   525.094   ?       ?       271.384 7.2238  ?              ?        
1 1 1 -9  6   4  o 279.533 7.4408  10482.16  557.110   0.0000    0.0000    10482.16  557.110   ?       ?       279.533 7.4408  ?              ?        
1 1 1 -9  6   5  o 486.159 12.644  31806.76  1646.49   0.0000    0.0000    31806.76  1646.49   ?       ?       486.159 12.644  ?              ?        
1 1 1 -9  6   6  o 500.495 12.986  33721.70  1740.90   0.0000    0.0000    33721.70  1740.90   ?       ?       500.495 12.986  ?              ?        
1 1 1 -9  6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  6   8  o 299.435 6.7803  11917.97  514.633   12437.05  893.442   11660.23  629.566   304.119 10.968  294.751 7.9744  9.367950       13.56064 
1 1 1 -9  6   9  o 81.967  2.1010  900.278   46.102    864.154   65.047    936.741   65.350    80.314  3.0237  83.620  2.9177  -3.306076      4.201928 
1 1 1 -9  6   10 o 570.044 10.534  43937.36  1608.03   42862.54  2273.10   45014.08  2275.10   563.000 15.074  577.087 14.719  -14.08667      21.06795 
1 1 1 -9  6   11 o 292.611 5.5164  11504.32  432.277   11247.50  610.961   11761.76  611.704   289.331 7.8837  295.891 7.7183  -6.560333      11.03287 
1 1 1 -9  6   12 o 188.131 3.7404  4749.35   188.448   4851.02   266.435   4647.57   266.576   190.150 5.2313  186.112 5.3476  4.037735       7.480817 
1 1 1 -9  6   13 o 174.497 3.4908  4086.16   163.152   4054.16   230.511   4118.27   230.952   173.811 4.9514  175.182 4.9220  -1.371033      6.981572 
1 1 1 -9  6   14 o 210.508 4.0985  5956.14   231.053   6078.92   326.650   5833.20   326.868   212.688 5.7339  208.329 5.8578  4.358414       8.197042 
1 1 1 -9  6   15 o 246.503 4.7357  8185.16   312.540   8464.85   442.001   7905.48   441.996   250.738 6.5813  242.266 6.8114  8.472092       9.471480 
1 1 1 -9  6   16 o 262.539 4.9682  9295.68   349.366   9313.64   493.820   9277.69   494.335   262.795 7.0156  262.282 7.0366  0.5131836      9.936406 
1 1 1 -9  6   17 o 67.500  1.9081  610.876   34.498    609.443   48.610    612.331   48.967    67.420  2.6918  67.580  2.7052  -0.1591339     3.816294 
1 1 1 -9  6   18 o 28.559  3.8667  111.493   28.818    111.493   28.818    0.0000    0.0000    28.559  3.8667  ?       ?       ?              ?        
1 1 1 -9  6   19 o 102.928 2.3952  1421.72   66.019    1383.77   93.037    1460.21   93.698    101.542 3.4207  104.314 3.3535  -2.771400      4.790352 
1 1 1 -9  6   20 o 46.888  1.8673  295.872   23.346    302.132   32.771    289.421   33.267    47.397  2.5912  46.378  2.6895  1.018566       3.734660 
1 1 1 -9  6   21 o 247.573 4.8128  8282.63   319.133   8176.74   450.957   8388.87   451.687   245.976 6.8447  249.171 6.7679  -3.195374      9.625687 
1 1 1 -9  6   22 o 91.873  2.3114  1132.89   56.870    1104.86   80.059    1161.43   80.799    90.725  3.2946  93.022  3.2429  -2.296852      4.622821 
1 1 1 -9  6   23 o 122.576 2.7110  2019.74   88.987    2062.91   125.599   1976.24   126.096   123.896 3.7848  121.255 3.8825  2.641403       5.422019 
1 1 1 -9  6   24 o 94.553  2.3308  1201.26   59.023    1213.78   83.149    1188.55   83.798    95.052  3.2659  94.054  3.3263  0.9982529      4.661631 
1 1 1 -9  6   25 o 38.600  1.9281  201.573   19.750    215.457   27.696    187.208   28.172    39.976  2.6008  37.225  2.8471  2.751415       3.856185 
1 1 1 -9  6   26 o 143.854 3.0860  2795.83   118.905   2799.33   167.952   2792.31   168.363   143.947 4.3561  143.762 4.3723  0.1853180      6.171924 
1 1 1 -9  6   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  6   28 o 73.146  2.0804  721.207   40.728    684.075   57.230    759.310   57.974    71.229  2.9997  75.063  2.8835  -3.833923      4.160833 
1 1 1 -9  6   29 o 43.742  1.9305  259.009   22.502    257.674   31.513    260.398   32.141    43.630  2.7100  43.854  2.7502  -0.2239342     3.861060 
1 1 1 -9  6   30 o 68.895  2.1086  642.634   38.878    668.068   54.726    616.718   55.241    70.289  2.9068  67.500  3.0554  2.789238       4.217229 
1 1 1 -9  6   31 o 71.193  2.1467  687.289   40.924    701.555   57.660    672.807   58.093    71.950  2.9920  70.435  3.0792  1.514160       4.293435 
1 1 1 -9  6   32 o 38.551  1.9638  202.611   20.117    210.008   28.164    194.905   28.745    39.293  2.6922  37.810  2.8596  1.483620       3.927514 
1 1 1 -9  6   33 o 66.967  2.1334  610.464   38.261    617.555   53.865    603.244   54.357    67.371  2.9850  66.563  3.0488  0.8077850      4.266823 
1 1 1 -9  6   34 o 8.6521  2.5204  2.2425    9.7684    8.8175    13.483    -5.0222   14.172    9.6375  3.7075  7.6667  3.4151  1.970797       5.040715 
1 1 1 -9  6   35 o 34.209  2.1265  161.185   19.263    153.718   26.478    169.582   28.077    33.368  2.9944  35.051  3.0202  -1.682911      4.252974 
1 1 1 -9  6   36 o 32.637  2.2190  148.796   19.075    159.719   26.615    137.261   27.351    33.952  2.9562  31.322  3.3102  2.629835       4.438068 
1 1 1 -9  6   37 o 10.391  2.7581  9.5680    11.247    21.033    15.721    -2.4530   16.097    12.331  4.0849  8.4502  3.7070  3.881084       5.516199 
1 1 1 -9  6   38 o 36.740  2.1808  190.739   21.100    210.784   29.451    169.598   30.245    38.872  2.8484  34.608  3.3029  4.264332       4.361516 
1 1 1 -9  6   39 o 30.303  2.3358  130.928   18.617    121.539   25.940    140.900   26.734    29.125  3.3886  31.480  3.2157  -2.355368      4.671535 
1 1 1 -9  6   40 o 19.456  2.8568  57.925    15.028    25.674    20.765    93.389    21.775    13.412  4.6902  25.500  3.2629  -12.08748      5.713547 
1 1 1 -9  6   41 o 7.4188  3.6887  -62.5031  28.601    0.0000    0.0000    -62.5031  28.601    ?       ?       7.4188  3.6887  ?              ?        
1 1 1 -9  6   42 o 13.297  3.5543  23.928    15.876    27.769    31.009    22.564    18.482    14.126  5.5680  12.468  4.4192  1.658114       7.108589 
1 1 1 -9  7   1  o 136.300 3.9580  2489.21   144.499   2489.21   144.499   0.0000    0.0000    136.300 3.9580  ?       ?       ?              ?        
1 1 1 -9  7   2  o ?       ?       5794.02   105805.10 5794.02   105805.10 0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 -9  7   3  o 166.326 4.7310  3707.46   210.767   0.0000    0.0000    3707.46   210.767   ?       ?       166.326 4.7310  ?              ?        
1 1 1 -9  7   4  f 453.453 11.808  27656.48  1434.11   0.0000    0.0000    27656.48  1434.11   ?       ?       453.453 11.808  ?              ?        
1 1 1 -9  7   5  f 184.974 5.1241  4586.06   253.875   0.0000    0.0000    4586.06   253.875   ?       ?       184.974 5.1241  ?              ?        
1 1 1 -9  7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  7   7  o 398.366 10.420  21334.15  1111.85   0.0000    0.0000    21334.15  1111.85   ?       ?       398.366 10.420  ?              ?        
1 1 1 -9  7   8  o 171.627 4.8384  3948.41   222.419   0.0000    0.0000    3948.41   222.419   ?       ?       171.627 4.8384  ?              ?        
1 1 1 -9  7   9  o 154.658 4.4776  3206.20   185.486   0.0000    0.0000    3206.20   185.486   ?       ?       154.658 4.4776  ?              ?        
1 1 1 -9  7   10 o 387.934 7.2162  20268.79  749.747   19936.76  1060.08   20601.08  1060.52   384.737 10.287  391.130 10.123  -6.392487      14.43249 
1 1 1 -9  7   11 o 242.173 4.6355  7878.51   300.584   7637.65   424.759   8120.11   425.422   238.455 6.6504  245.891 6.4593  -7.436661      9.270958 
1 1 1 -9  7   12 o 119.918 2.6102  1928.14   83.828    1890.25   118.345   1966.29   118.758   118.734 3.7212  121.101 3.6612  -2.366936      5.220342 
1 1 1 -9  7   13 o 145.461 3.0129  2839.08   117.384   2851.00   165.833   2827.11   166.179   145.768 4.2474  145.154 4.2742  0.6139526      6.025733 
1 1 1 -9  7   14 o 203.559 4.0101  5571.46   218.636   5616.91   309.046   5525.92   309.350   204.394 5.6450  202.725 5.6971  1.669601       8.020196 
1 1 1 -9  7   15 o 115.651 2.5816  1794.81   79.960    1823.18   112.921   1766.28   113.242   116.569 3.6166  114.732 3.6850  1.837349       5.163226 
1 1 1 -9  7   16 o 117.957 2.6285  1867.47   83.044    1879.11   117.247   1855.75   117.638   118.327 3.6994  117.587 3.7351  0.7403793      5.257009 
1 1 1 -9  7   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  7   18 o 51.644  1.8094  357.616   25.027    358.910   35.232    356.298   35.558    51.738  2.5424  51.549  2.5753  0.1894112      3.618808 
1 1 1 -9  7   19 o 162.072 3.3180  3532.24   144.038   3530.01   203.461   3534.48   203.939   162.021 4.6884  162.122 4.6964  -0.1013947     6.636063 
1 1 1 -9  7   20 o 171.126 3.5213  3941.13   161.372   4021.54   228.002   3860.41   228.427   172.884 4.9237  169.367 5.0353  3.516983       7.042572 
1 1 1 -9  7   21 o 240.982 4.7316  7849.51   305.407   7868.15   431.600   7830.81   432.223   241.273 6.6786  240.691 6.7044  0.5818024      9.463202 
1 1 1 -9  7   22 o 85.922  2.2145  990.890   50.959    972.226   71.729    1009.91   72.411    85.104  3.1467  86.740  3.1167  -1.635597      4.428949 
1 1 1 -9  7   23 o 103.163 2.4638  1430.25   68.076    1443.50   96.028    1416.86   96.521    103.646 3.4591  102.680 3.5095  0.9658432      4.927657 
1 1 1 -9  7   24 o 54.328  1.9626  397.204   28.473    417.069   40.218    377.242   40.316    55.734  2.6941  52.922  2.8547  2.812504       3.925191 
1 1 1 -9  7   25 o 155.619 3.3202  3274.83   138.380   3322.64   195.465   3226.79   195.934   156.771 4.6550  154.468 4.7357  2.303116       6.640431 
1 1 1 -9  7   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  7   27 o 9.3533  2.3213  5.9555    8.3826    -6.7816   11.571    20.022    12.160    6.6372  3.0098  12.069  3.5348  -5.432160      4.642624 
1 1 1 -9  7   28 o 40.288  1.9129  219.900   20.500    231.231   28.989    208.566   28.993    41.343  2.6315  39.232  2.7770  2.110287       3.825798 
1 1 1 -9  7   29 o 89.974  2.3443  1097.24   56.490    1112.24   79.696    1082.09   80.082    90.602  3.2841  89.346  3.3463  1.256226       4.688618 
1 1 1 -9  7   30 f 64.587  2.0591  565.156   35.590    588.429   50.115    541.478   50.551    65.947  2.8372  63.227  2.9849  2.720039       4.118156 
1 1 1 -9  7   31 o 67.301  2.0900  614.201   37.669    597.826   52.908    631.036   53.643    66.385  2.9755  68.216  2.9359  -1.830421      4.180077 
1 1 1 -9  7   32 o 42.130  2.0239  242.277   22.623    217.966   31.724    267.433   32.270    39.935  2.9875  44.326  2.7313  -4.391190      4.047881 
1 1 1 -9  7   33 o 19.682  2.5262  54.603    12.812    49.953    17.697    59.725    18.573    18.762  3.6530  20.602  3.4904  -1.840174      5.052472 
1 1 1 -9  7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  7   35 o 30.103  2.2646  126.232   17.974    123.585   25.059    129.038   25.797    29.779  3.1913  30.427  3.2139  -0.6479721     4.529231 
1 1 1 -9  7   36 o 15.764  2.9445  37.020    12.839    44.693    17.523    28.127    18.866    17.504  3.8429  14.023  4.4625  3.481087       5.889088 
1 1 1 -9  7   37 o 13.062  3.0384  24.180    12.357    26.745    17.127    21.396    17.845    13.574  4.2430  12.549  4.3502  1.025480       6.076767 
1 1 1 -9  7   38 o 14.579  2.7002  29.324    12.451    55.096    17.980    5.5780    17.259    19.425  3.5879  9.7328  4.0363  9.692424       5.400477 
1 1 1 -9  7   39 o 11.207  2.9476  15.397    11.851    13.051    16.669    17.796    16.853    10.766  4.1270  11.649  4.2096  -0.8829956     5.895143 
1 1 1 -9  7   40 o 9.8429  2.8290  6.5542    11.802    13.946    17.714    0.6551    15.825    11.030  4.2479  8.6556  3.7374  2.374496       5.657979 
1 1 1 -9  7   41 o 11.060  4.2579  14.627    17.792    0.0000    0.0000    14.627    17.792    ?       ?       11.060  4.2579  ?              ?        
1 1 1 -9  7   42 o 23.073  4.0316  82.356    24.008    0.0000    0.0000    82.356    24.008    ?       ?       23.073  4.0316  ?              ?        
1 1 1 -9  8   1  o 410.828 10.805  22686.80  1188.96   22686.80  1188.96   0.0000    0.0000    410.828 10.805  ?       ?       ?              ?        
1 1 1 -9  8   2  f 26.502  2.3703  94.831    16.648    94.831    16.648    0.0000    0.0000    26.502  2.3703  ?       ?       ?              ?        
1 1 1 -9  8   3  o 328.445 8.7001  14482.34  765.382   14482.34  765.382   0.0000    0.0000    328.445 8.7001  ?       ?       ?              ?        
1 1 1 -9  8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  8   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  8   6  o 522.975 13.619  36880.61  1907.76   0.0000    0.0000    36880.61  1907.76   ?       ?       522.975 13.619  ?              ?        
1 1 1 -9  8   7  o 310.284 8.1223  12928.63  675.037   0.0000    0.0000    12928.63  675.037   ?       ?       310.284 8.1223  ?              ?        
1 1 1 -9  8   8  o 319.390 8.4574  13707.92  723.515   0.0000    0.0000    13707.92  723.515   ?       ?       319.390 8.4574  ?              ?        
1 1 1 -9  8   9  o 483.923 12.700  31653.02  1646.08   0.0000    0.0000    31653.02  1646.08   ?       ?       483.923 12.700  ?              ?        
1 1 1 -9  8   10 o 464.119 12.226  29153.77  1519.86   0.0000    0.0000    29153.77  1519.86   ?       ?       464.119 12.226  ?              ?        
1 1 1 -9  8   11 f 141.674 4.1966  2692.21   159.247   0.0000    0.0000    2692.21   159.247   ?       ?       141.674 4.1966  ?              ?        
1 1 1 -9  8   12 o 148.778 3.7906  2973.35   141.885   2974.00   247.505   2973.02   173.163   148.712 6.2137  148.844 4.3435  -0.1323395     7.581260 
1 1 1 -9  8   13 o 244.126 4.6971  8026.51   307.079   7841.02   433.999   8212.47   434.552   241.287 6.7153  246.966 6.5692  -5.678833      9.394160 
1 1 1 -9  8   14 o 127.917 2.7580  2196.20   94.482    2150.93   133.412   2241.76   133.825   126.591 3.9346  129.242 3.8659  -2.650253      5.515975 
1 1 1 -9  8   15 o 76.636  2.0469  787.572   42.016    784.708   59.284    790.462   59.555    76.496  2.8934  76.776  2.8960  -0.2798538     4.093740 
1 1 1 -9  8   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  8   17 o 83.546  2.1898  936.794   48.978    969.458   69.144    903.899   69.387    85.012  3.0366  82.081  3.1561  2.930161       4.379691 
1 1 1 -9  8   18 o 117.171 2.6562  1843.46   83.362    1837.81   117.664   1849.16   118.122   116.991 3.7549  117.351 3.7580  -0.3606262     5.312428 
1 1 1 -9  8   19 o 106.426 2.4316  1520.92   69.284    1570.97   97.831    1470.55   98.134    108.188 3.3761  104.665 3.5005  3.523521       4.863263 
1 1 1 -9  8   20 o 85.970  2.2371  991.861   51.511    993.986   72.562    989.703   73.135    86.064  3.1478  85.876  3.1795  0.1874161      4.474134 
1 1 1 -9  8   21 o 155.062 3.2291  3236.60   134.060   3337.84   189.358   3134.86   189.820   157.506 4.4885  152.617 4.6436  4.889084       6.458235 
1 1 1 -9  8   22 o 53.239  1.9340  380.847   27.486    355.134   38.494    407.593   39.259    51.364  2.8086  55.115  2.6594  -3.750793      3.867911 
1 1 1 -9  8   23 o 45.640  1.8924  280.545   23.029    277.938   32.217    283.269   32.930    45.424  2.6595  45.856  2.6929  -0.4316521     3.784809 
1 1 1 -9  8   24 o 72.568  2.1037  707.838   40.888    704.323   57.457    711.445   58.199    72.386  2.9635  72.749  2.9867  -0.3629379     4.207454 
1 1 1 -9  8   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  8   26 o 128.741 2.8702  2244.83   98.937    2310.19   139.761   2179.18   140.077   130.642 3.9940  126.840 4.1231  3.802208       5.740396 
1 1 1 -9  8   27 o 41.797  1.9086  236.387   21.252    237.732   29.949    235.023   30.161    41.920  2.6814  41.674  2.7169  0.2462463      3.817242 
1 1 1 -9  8   28 o 33.882  1.9332  155.916   17.392    155.665   24.401    156.175   24.796    33.857  2.7135  33.906  2.7542  -0.4875946E-01 3.866339 
1 1 1 -9  8   29 o 66.234  2.0505  593.516   36.373    582.514   51.140    604.780   51.744    65.610  2.9100  66.857  2.8895  -1.247025      4.100945 
1 1 1 -9  8   30 o 40.118  1.9624  218.978   20.942    227.922   29.598    210.012   29.634    40.955  2.7135  39.280  2.8358  1.675571       3.924896 
1 1 1 -9  8   31 o 42.710  1.9767  248.419   22.485    242.935   31.742    253.943   31.856    42.228  2.8226  43.192  2.7682  -0.9639778     3.953468 
1 1 1 -9  8   32 o 13.405  2.8919  24.873    11.397    21.094    15.954    28.812    16.288    12.554  4.1130  14.257  4.0662  -1.702923      5.783728 
1 1 1 -9  8   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  8   34 o 58.318  2.1214  467.806   33.047    483.606   46.472    451.641   47.004    59.390  2.9214  57.246  3.0768  2.144260       4.242764 
1 1 1 -9  8   35 o 18.939  2.8075  52.705    13.837    66.307    19.628    39.263    19.511    21.562  3.5200  16.317  4.3748  5.245493       5.615080 
1 1 1 -9  8   36 o 29.181  2.3411  120.557   17.940    126.305   25.167    114.618   25.581    29.953  3.1858  28.410  3.4312  1.543152       4.682152 
1 1 1 -9  8   37 o 15.541  3.6077  29.521    15.190    53.645    32.016    22.513    17.256    18.413  5.8083  12.669  4.2810  5.744145       7.215458 
1 1 1 -9  8   38 o 20.138  4.1015  60.707    21.371    0.0000    0.0000    60.707    21.371    ?       ?       20.138  4.1015  ?              ?        
1 1 1 -9  8   39 o 18.812  4.3967  54.236    21.756    0.0000    0.0000    54.236    21.756    ?       ?       18.812  4.3967  ?              ?        
1 1 1 -9  8   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  8   41 f 16.787  4.7263  45.803    22.153    0.0000    0.0000    45.803    22.153    ?       ?       16.787  4.7263  ?              ?        
1 1 1 -9  9   1  o 422.821 11.037  24039.85  1250.01   24039.85  1250.01   0.0000    0.0000    422.821 11.037  ?       ?       ?              ?        
1 1 1 -9  9   2  o 348.139 12.990  16325.03  1211.34   16325.03  1211.34   0.0000    0.0000    348.139 12.990  ?       ?       ?              ?        
1 1 1 -9  9   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  9   4  o 275.900 7.4955  10215.79  553.914   10215.79  553.914   0.0000    0.0000    275.900 7.4955  ?       ?       ?              ?        
1 1 1 -9  9   5  o 310.607 8.3128  12956.59  691.587   12956.59  691.587   0.0000    0.0000    310.607 8.3128  ?       ?       ?              ?        
1 1 1 -9  9   6  o 222.392 6.1483  6634.92   366.237   0.0000    0.0000    6634.92   366.237   ?       ?       222.392 6.1483  ?              ?        
1 1 1 -9  9   7  o 377.367 9.9300  19170.70  1003.70   0.0000    0.0000    19170.70  1003.70   ?       ?       377.367 9.9300  ?              ?        
1 1 1 -9  9   8  o 255.512 6.8768  8769.63   470.640   0.0000    0.0000    8769.63   470.640   ?       ?       255.512 6.8768  ?              ?        
1 1 1 -9  9   9  o 358.735 9.5262  17355.61  915.336   0.0000    0.0000    17355.61  915.336   ?       ?       358.735 9.5262  ?              ?        
1 1 1 -9  9   10 o 418.126 11.093  23684.96  1242.32   0.0000    0.0000    23684.96  1242.32   ?       ?       418.126 11.093  ?              ?        
1 1 1 -9  9   11 o 101.640 3.3238  1385.25   90.487    0.0000    0.0000    1385.25   90.487    ?       ?       101.640 3.3238  ?              ?        
1 1 1 -9  9   12 o 324.406 8.6084  14229.53  747.994   0.0000    0.0000    14229.53  747.994   ?       ?       324.406 8.6084  ?              ?        
1 1 1 -9  9   13 o 100.448 3.3190  1353.44   89.297    0.0000    0.0000    1353.44   89.297    ?       ?       100.448 3.3190  ?              ?        
1 1 1 -9  9   14 o 95.883  3.2518  1233.31   83.514    0.0000    0.0000    1233.31   83.514    ?       ?       95.883  3.2518  ?              ?        
1 1 1 -9  9   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  9   16 o 196.692 3.9211  5210.35   206.542   5095.75   292.007   5325.10   292.181   194.516 5.6047  198.868 5.4853  -4.352722      7.842217 
1 1 1 -9  9   17 o 120.781 2.6469  1958.93   85.617    1916.53   120.945   2001.51   121.217   119.468 3.7796  122.094 3.7067  -2.626045      5.293850 
1 1 1 -9  9   18 o 195.227 3.8742  5134.15   202.553   5024.32   286.156   5244.43   286.753   193.123 5.5320  197.330 5.4253  -4.206894      7.748334 
1 1 1 -9  9   19 o 52.071  1.9007  364.696   26.414    370.639   37.205    358.657   37.507    52.502  2.6543  51.639  2.7213  0.8631935      3.801429 
1 1 1 -9  9   20 o 81.323  2.1734  887.814   47.332    903.571   66.675    871.808   67.203    82.053  3.0338  80.593  3.1131  1.459587       4.346888 
1 1 1 -9  9   21 f 33.613  1.9197  152.543   17.117    143.298   23.957    162.184   24.465    32.560  2.7735  34.666  2.6550  -2.105988      3.839462 
1 1 1 -9  9   22 o 48.298  1.9084  314.150   24.588    315.914   34.610    312.353   34.936    48.437  2.6781  48.159  2.7195  0.2787018      3.816788 
1 1 1 -9  9   23 o 96.674  2.3485  1257.40   60.806    1267.72   85.688    1246.92   86.302    97.077  3.2954  96.270  3.3469  0.8066177      4.696969 
1 1 1 -9  9   24 o 73.543  4.5189  734.600   88.584    0.0000    0.0000    734.600   88.584    ?       ?       73.543  4.5189  ?              ?        
1 1 1 -9  9   25 o 16.865  2.4794  39.941    10.825    42.656    14.996    36.986    15.643    17.500  3.3206  16.229  3.6829  1.270988       4.958866 
1 1 1 -9  9   26 o 48.209  1.9202  314.056   24.689    304.457   34.672    323.929   35.164    47.456  2.7393  48.963  2.6916  -1.506561      3.840416 
1 1 1 -9  9   27 o 37.799  1.9112  193.661   19.190    179.470   26.837    208.510   27.451    36.362  2.7764  39.235  2.6273  -2.872784      3.822487 
1 1 1 -9  9   28 o 38.037  1.9474  196.443   19.682    183.772   27.529    209.691   28.149    36.764  2.8170  39.310  2.6896  -2.545727      3.894830 
1 1 1 -9  9   29 f 52.755  2.0102  377.908   28.299    379.977   39.901    375.813   40.141    52.905  2.8260  52.605  2.8596  0.3000603      4.020441 
1 1 1 -9  9   30 o 62.869  2.0800  536.510   34.999    508.934   49.163    564.846   49.837    61.215  2.9984  64.523  2.8836  -3.308689      4.160025 
1 1 1 -9  9   31 o 37.143  2.0297  188.632   20.031    183.418   28.239    193.913   28.418    36.615  2.9032  37.671  2.8373  -1.056374      4.059400 
1 1 1 -9  9   32 o 36.021  2.8183  173.655   23.800    200.123   46.710    164.374   27.660    37.478  4.7606  34.565  3.0179  2.913082       5.636580 
1 1 1 -9  9   33 o 42.205  2.9059  244.983   32.650    0.0000    0.0000    244.983   32.650    ?       ?       42.205  2.9059  ?              ?        
1 1 1 -9  9   34 o 52.249  2.9754  377.074   41.468    0.0000    0.0000    377.074   41.468    ?       ?       52.249  2.9754  ?              ?        
1 1 1 -9  9   35 o 6.3806  2.9977  -12.8694  13.058    0.0000    0.0000    -12.8694  13.058    ?       ?       6.3806  2.9977  ?              ?        
1 1 1 -9  9   36 o 4.9864  2.4581  -24.4919  11.730    0.0000    0.0000    -24.4919  11.730    ?       ?       4.9864  2.4581  ?              ?        
1 1 1 -9  9   37 f 7.5938  3.4448  -7.0293   15.174    0.0000    0.0000    -7.0293   15.174    ?       ?       7.5938  3.4448  ?              ?        
1 1 1 -9  9   38 o 13.303  4.4353  25.742    18.522    0.0000    0.0000    25.742    18.522    ?       ?       13.303  4.4353  ?              ?        
1 1 1 -9  9   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  9   40 o 20.176  4.5299  64.398    23.881    0.0000    0.0000    64.398    23.881    ?       ?       20.176  4.5299  ?              ?        
1 1 1 -9  10  1  o 423.911 15.795  24291.07  1793.37   24291.07  1793.37   0.0000    0.0000    423.911 15.795  ?       ?       ?              ?        
1 1 1 -9  10  2  o 388.627 10.250  20309.83  1066.99   20309.83  1066.99   0.0000    0.0000    388.627 10.250  ?       ?       ?              ?        
1 1 1 -9  10  3  o 476.388 12.511  30591.83  1596.40   30591.83  1596.40   0.0000    0.0000    476.388 12.511  ?       ?       ?              ?        
1 1 1 -9  10  4  o 88.322  3.0520  1045.16   72.201    1045.16   72.201    0.0000    0.0000    88.322  3.0520  ?       ?       ?              ?        
1 1 1 -9  10  5  o 122.843 3.7082  2022.42   122.013   2022.42   122.013   0.0000    0.0000    122.843 3.7082  ?       ?       ?              ?        
1 1 1 -9  10  6  o 55.021  2.5367  405.589   37.385    405.589   37.385    0.0000    0.0000    55.021  2.5367  ?       ?       ?              ?        
1 1 1 -9  10  7  o 176.907 5.0355  4198.96   238.605   4198.96   238.605   0.0000    0.0000    176.907 5.0355  ?       ?       ?              ?        
1 1 1 -9  10  8  o 205.666 5.7190  5680.84   315.044   0.0000    0.0000    5680.84   315.044   ?       ?       205.666 5.7190  ?              ?        
1 1 1 -9  10  9  o 68.889  2.7291  636.052   50.357    0.0000    0.0000    636.052   50.357    ?       ?       68.889  2.7291  ?              ?        
1 1 1 -9  10  10 o 246.157 6.6607  8157.97   439.159   0.0000    0.0000    8157.97   439.159   ?       ?       246.157 6.6607  ?              ?        
1 1 1 -9  10  11 o 72.656  2.8132  707.742   54.747    0.0000    0.0000    707.742   54.747    ?       ?       72.656  2.8132  ?              ?        
1 1 1 -9  10  12 o 325.548 8.7148  14355.19  759.910   0.0000    0.0000    14355.19  759.910   ?       ?       325.548 8.7148  ?              ?        
1 1 1 -9  10  13 o 159.375 4.5452  3413.09   194.028   0.0000    0.0000    3413.09   194.028   ?       ?       159.375 4.5452  ?              ?        
1 1 1 -9  10  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  10  15 o 88.611  3.1309  1053.42   74.308    0.0000    0.0000    1053.42   74.308    ?       ?       88.611  3.1309  ?              ?        
1 1 1 -9  10  16 o 157.525 4.5880  3336.34   193.579   0.0000    0.0000    3336.34   193.579   ?       ?       157.525 4.5880  ?              ?        
1 1 1 -9  10  17 o 69.193  2.8950  642.224   53.654    0.0000    0.0000    642.224   53.654    ?       ?       69.193  2.8950  ?              ?        
1 1 1 -9  10  18 o 112.810 3.7219  1709.22   112.461   0.0000    0.0000    1709.22   112.461   ?       ?       112.810 3.7219  ?              ?        
1 1 1 -9  10  19 o 126.846 3.9130  2162.42   132.945   0.0000    0.0000    2162.42   132.945   ?       ?       126.846 3.9130  ?              ?        
1 1 1 -9  10  20 o 94.470  3.2922  1198.71   83.305    0.0000    0.0000    1198.71   83.305    ?       ?       94.470  3.2922  ?              ?        
1 1 1 -9  10  21 o 45.934  2.6890  284.206   32.939    0.0000    0.0000    284.206   32.939    ?       ?       45.934  2.6890  ?              ?        
1 1 1 -9  10  22 o 66.561  2.9041  595.376   51.775    0.0000    0.0000    595.376   51.775    ?       ?       66.561  2.9041  ?              ?        
1 1 1 -9  10  23 o 114.145 3.7457  1757.32   114.519   0.0000    0.0000    1757.32   114.519   ?       ?       114.145 3.7457  ?              ?        
1 1 1 -9  10  24 o 24.933  2.9814  84.902    19.516    0.0000    0.0000    84.902    19.516    ?       ?       24.933  2.9814  ?              ?        
1 1 1 -9  10  25 o 72.852  3.0148  715.986   58.829    0.0000    0.0000    715.986   58.829    ?       ?       72.852  3.0148  ?              ?        
1 1 1 -9  10  26 o 21.447  3.2253  63.578    17.955    0.0000    0.0000    63.578    17.955    ?       ?       21.447  3.2253  ?              ?        
1 1 1 -9  10  27 o 59.383  2.8764  476.845   45.750    0.0000    0.0000    476.845   45.750    ?       ?       59.383  2.8764  ?              ?        
1 1 1 -9  10  28 o 107.895 3.6941  1587.56   106.757   0.0000    0.0000    1587.56   106.757   ?       ?       107.895 3.6941  ?              ?        
1 1 1 -9  10  29 o 46.036  2.8358  288.377   34.797    0.0000    0.0000    288.377   34.797    ?       ?       46.036  2.8358  ?              ?        
1 1 1 -9  10  30 o 40.558  2.8473  224.542   30.736    0.0000    0.0000    224.542   30.736    ?       ?       40.558  2.8473  ?              ?        
1 1 1 -9  10  31 o 42.512  2.8786  247.378   32.585    0.0000    0.0000    247.378   32.585    ?       ?       42.512  2.8786  ?              ?        
1 1 1 -9  10  32 o 45.415  3.7859  288.100   45.633    0.0000    0.0000    288.100   45.633    ?       ?       45.415  3.7859  ?              ?        
1 1 1 -9  10  33 o 39.647  2.9485  217.236   31.087    0.0000    0.0000    217.236   31.087    ?       ?       39.647  2.9485  ?              ?        
1 1 1 -9  10  34 o 25.136  3.3201  89.378    21.806    0.0000    0.0000    89.378    21.806    ?       ?       25.136  3.3201  ?              ?        
1 1 1 -9  10  35 o 22.693  3.7789  74.827    22.162    0.0000    0.0000    74.827    22.162    ?       ?       22.693  3.7789  ?              ?        
1 1 1 -9  10  36 o 8.5649  3.7250  -0.7238   15.950    0.0000    0.0000    -0.7238   15.950    ?       ?       8.5649  3.7250  ?              ?        
1 1 1 -9  10  37 o 30.052  3.3979  129.595   26.871    0.0000    0.0000    129.595   26.871    ?       ?       30.052  3.3979  ?              ?        
1 1 1 -9  10  38 o 23.235  5.0692  85.405    30.660    0.0000    0.0000    85.405    30.660    ?       ?       23.235  5.0692  ?              ?        
1 1 1 -9  10  39 o 18.394  4.2772  52.622    20.674    52.622    20.674    0.0000    0.0000    18.394  4.2772  ?       ?       ?              ?        
1 1 1 -9  11  1  o 341.622 6.4226  15688.50  587.690   15693.08  830.794   15683.91  831.445   341.672 9.0781  341.571 9.0879  0.1011353      12.84529 
1 1 1 -9  11  2  o 226.360 6.2964  6875.53   381.749   6875.53   381.749   0.0000    0.0000    226.360 6.2964  ?       ?       ?              ?        
1 1 1 -9  11  3  o 211.319 5.8024  5991.54   328.425   5991.54   328.425   0.0000    0.0000    211.319 5.8024  ?       ?       ?              ?        
1 1 1 -9  11  4  o 305.500 8.1041  12550.53  663.141   12550.53  663.141   0.0000    0.0000    305.500 8.1041  ?       ?       ?              ?        
1 1 1 -9  11  5  f 377.182 9.9889  19190.19  1009.16   19190.19  1009.16   0.0000    0.0000    377.182 9.9889  ?       ?       ?              ?        
1 1 1 -9  11  6  o 25.107  2.4620  85.275    16.343    85.275    16.343    0.0000    0.0000    25.107  2.4620  ?       ?       ?              ?        
1 1 1 -9  11  7  f 112.070 3.5066  1684.09   105.261   1684.09   105.261   0.0000    0.0000    112.070 3.5066  ?       ?       ?              ?        
1 1 1 -9  11  8  o 285.034 7.6701  10953.89  585.584   10953.89  585.584   0.0000    0.0000    285.034 7.6701  ?       ?       ?              ?        
1 1 1 -9  11  9  o 137.227 4.1463  2527.56   152.399   2527.56   152.399   0.0000    0.0000    137.227 4.1463  ?       ?       ?              ?        
1 1 1 -9  11  10 o 194.600 7.6430  5114.33   398.377   0.0000    0.0000    5114.33   398.377   ?       ?       194.600 7.6430  ?              ?        
1 1 1 -9  11  11 o 53.109  2.5697  378.129   36.554    0.0000    0.0000    378.129   36.554    ?       ?       53.109  2.5697  ?              ?        
1 1 1 -9  11  12 o ?       ?       4103.35   81948.47  0.0000    0.0000    4103.35   81948.47  ?       ?       ?       ?       ?              ?        
1 1 1 -9  11  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  11  14 o 102.350 3.3886  1405.90   92.897    0.0000    0.0000    1405.90   92.897    ?       ?       102.350 3.3886  ?              ?        
1 1 1 -9  11  15 o 65.822  2.8065  581.093   49.479    0.0000    0.0000    581.093   49.479    ?       ?       65.822  2.8065  ?              ?        
1 1 1 -9  11  16 o 105.642 3.5180  1498.26   99.545    0.0000    0.0000    1498.26   99.545    ?       ?       105.642 3.5180  ?              ?        
1 1 1 -9  11  17 o 214.935 6.0076  6233.78   345.855   0.0000    0.0000    6233.78   345.855   ?       ?       214.935 6.0076  ?              ?        
1 1 1 -9  11  18 o 106.394 3.5444  1520.44   101.007   0.0000    0.0000    1520.44   101.007   ?       ?       106.394 3.5444  ?              ?        
1 1 1 -9  11  19 o 98.821  3.3941  1311.99   89.839    0.0000    0.0000    1311.99   89.839    ?       ?       98.821  3.3941  ?              ?        
1 1 1 -9  11  20 o 172.541 4.9700  4020.09   229.686   0.0000    0.0000    4020.09   229.686   ?       ?       172.541 4.9700  ?              ?        
1 1 1 -9  11  21 o 124.439 3.9402  2087.07   131.328   0.0000    0.0000    2087.07   131.328   ?       ?       124.439 3.9402  ?              ?        
1 1 1 -9  11  22 o 150.192 4.4319  3051.29   178.289   0.0000    0.0000    3051.29   178.289   ?       ?       150.192 4.4319  ?              ?        
1 1 1 -9  11  23 o 25.039  3.0370  85.678    19.951    0.0000    0.0000    85.678    19.951    ?       ?       25.039  3.0370  ?              ?        
1 1 1 -9  11  24 o 69.425  2.9664  650.036   55.162    0.0000    0.0000    650.036   55.162    ?       ?       69.425  2.9664  ?              ?        
1 1 1 -9  11  25 o 72.725  2.9924  714.537   58.290    0.0000    0.0000    714.537   58.290    ?       ?       72.725  2.9924  ?              ?        
1 1 1 -9  11  26 o 18.524  3.3721  47.960    16.115    0.0000    0.0000    47.960    16.115    ?       ?       18.524  3.3721  ?              ?        
1 1 1 -9  11  27 o 82.476  3.2051  923.407   70.804    0.0000    0.0000    923.407   70.804    ?       ?       82.476  3.2051  ?              ?        
1 1 1 -9  11  28 o 81.709  3.1868  907.846   69.744    0.0000    0.0000    907.846   69.744    ?       ?       81.709  3.1868  ?              ?        
1 1 1 -9  11  29 o 19.440  3.6540  53.381    18.328    0.0000    0.0000    53.381    18.328    ?       ?       19.440  3.6540  ?              ?        
1 1 1 -9  11  30 o 16.799  3.8750  40.452    17.080    0.0000    0.0000    40.452    17.080    ?       ?       16.799  3.8750  ?              ?        
1 1 1 -9  11  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  11  32 o 39.096  3.0448  211.533   31.632    0.0000    0.0000    211.533   31.632    ?       ?       39.096  3.0448  ?              ?        
1 1 1 -9  11  33 o 11.963  4.1947  18.668    16.615    0.0000    0.0000    18.668    16.615    ?       ?       11.963  4.1947  ?              ?        
1 1 1 -9  11  34 o 13.096  4.6873  22.785    20.841    0.0000    0.0000    22.785    20.841    ?       ?       13.096  4.6873  ?              ?        
1 1 1 -9  11  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  11  36 o 27.811  3.3522  110.867   24.468    110.867   24.468    0.0000    0.0000    27.811  3.3522  ?       ?       ?              ?        
1 1 1 -9  11  37 o 39.187  3.1022  217.987   32.295    217.987   32.295    0.0000    0.0000    39.187  3.1022  ?       ?       ?              ?        
1 1 1 -9  11  38 o 7.9711  3.5658  -4.1105   15.628    -4.1105   15.628    0.0000    0.0000    7.9711  3.5658  ?       ?       ?              ?        
1 1 1 -9  11  39 o 23.056  3.8860  81.195    23.145    81.195    23.145    0.0000    0.0000    23.056  3.8860  ?       ?       ?              ?        
1 1 1 -9  12  1  o 196.461 3.8570  5179.25   202.930   5278.02   286.825   5080.25   287.149   198.340 5.3990  194.581 5.5096  3.758865       7.713945 
1 1 1 -9  12  2  o 466.404 8.6861  29436.50  1085.12   29372.98  1534.46   29500.05  1534.72   465.896 12.296  466.912 12.272  -1.016388      17.37226 
1 1 1 -9  12  3  o 147.655 3.0506  2924.01   120.649   2926.95   170.665   2921.08   170.581   147.729 4.3131  147.581 4.3153  0.1482239      6.101204 
1 1 1 -9  12  4  o 161.266 4.6654  3489.61   201.523   3489.61   201.523   0.0000    0.0000    161.266 4.6654  ?       ?       ?              ?        
1 1 1 -9  12  5  o 74.909  2.9010  752.132   58.206    752.132   58.206    0.0000    0.0000    74.909  2.9010  ?       ?       ?              ?        
1 1 1 -9  12  6  o 222.267 6.0869  6644.24   362.379   6644.24   362.379   0.0000    0.0000    222.267 6.0869  ?       ?       ?              ?        
1 1 1 -9  12  7  o 107.567 3.5266  1552.06   101.607   1552.06   101.607   0.0000    0.0000    107.567 3.5266  ?       ?       ?              ?        
1 1 1 -9  12  8  o 46.503  2.4867  290.689   30.861    290.689   30.861    0.0000    0.0000    46.503  2.4867  ?       ?       ?              ?        
1 1 1 -9  12  9  o 242.824 6.6448  7950.03   432.180   7950.03   432.180   0.0000    0.0000    242.824 6.6448  ?       ?       ?              ?        
1 1 1 -9  12  10 o 221.055 6.0828  6583.79   360.160   6583.79   360.160   0.0000    0.0000    221.055 6.0828  ?       ?       ?              ?        
1 1 1 -9  12  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  12  12 o 163.383 4.7137  3589.38   206.282   3589.38   206.282   0.0000    0.0000    163.383 4.7137  ?       ?       ?              ?        
1 1 1 -9  12  13 f 38.248  2.6351  197.108   26.831    197.108   26.831    0.0000    0.0000    38.248  2.6351  ?       ?       ?              ?        
1 1 1 -9  12  14 o 56.933  3.7057  437.082   56.202    0.0000    0.0000    437.082   56.202    ?       ?       56.933  3.7057  ?              ?        
1 1 1 -9  12  15 f 50.657  2.7250  345.171   36.839    0.0000    0.0000    345.171   36.839    ?       ?       50.657  2.7250  ?              ?        
1 1 1 -9  12  16 o 146.469 4.3568  2884.86   170.926   0.0000    0.0000    2884.86   170.926   ?       ?       146.469 4.3568  ?              ?        
1 1 1 -9  12  17 o 58.777  2.7780  463.532   43.735    0.0000    0.0000    463.532   43.735    ?       ?       58.777  2.7780  ?              ?        
1 1 1 -9  12  18 f 75.038  3.0632  756.097   61.566    0.0000    0.0000    756.097   61.566    ?       ?       75.038  3.0632  ?              ?        
1 1 1 -9  12  19 o 127.274 3.9681  2181.24   135.273   0.0000    0.0000    2181.24   135.273   ?       ?       127.274 3.9681  ?              ?        
1 1 1 -9  12  20 o 36.372  2.8456  178.854   27.502    0.0000    0.0000    178.854   27.502    ?       ?       36.372  2.8456  ?              ?        
1 1 1 -9  12  21 o ?       ?       1337.14   265955.41 0.0000    0.0000    1337.14   265955.41 ?       ?       ?       ?       ?              ?        
1 1 1 -9  12  22 o 56.506  2.8584  430.967   43.122    0.0000    0.0000    430.967   43.122    ?       ?       56.506  2.8584  ?              ?        
1 1 1 -9  12  23 o 50.881  2.7570  349.842   37.433    0.0000    0.0000    349.842   37.433    ?       ?       50.881  2.7570  ?              ?        
1 1 1 -9  12  24 o 43.030  2.7435  250.797   31.455    0.0000    0.0000    250.797   31.455    ?       ?       43.030  2.7435  ?              ?        
1 1 1 -9  12  25 o 119.164 3.9210  1935.68   125.151   0.0000    0.0000    1935.68   125.151   ?       ?       119.164 3.9210  ?              ?        
1 1 1 -9  12  26 o 36.336  2.8554  179.788   27.566    0.0000    0.0000    179.788   27.566    ?       ?       36.336  2.8554  ?              ?        
1 1 1 -9  12  27 o 57.782  2.8832  452.724   44.623    0.0000    0.0000    452.724   44.623    ?       ?       57.782  2.8832  ?              ?        
1 1 1 -9  12  28 o 53.662  2.9534  392.619   42.286    0.0000    0.0000    392.619   42.286    ?       ?       53.662  2.9534  ?              ?        
1 1 1 -9  12  29 o 13.455  4.5116  24.065    19.164    0.0000    0.0000    24.065    19.164    ?       ?       13.455  4.5116  ?              ?        
1 1 1 -9  12  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  12  31 o 22.594  3.6574  72.629    21.378    72.629    21.378    0.0000    0.0000    22.594  3.6574  ?       ?       ?              ?        
1 1 1 -9  12  32 o 7.5607  3.3698  -4.5098   13.819    -4.5098   13.819    0.0000    0.0000    7.5607  3.3698  ?       ?       ?              ?        
1 1 1 -9  12  33 o 20.389  3.7456  60.453    19.702    60.453    19.702    0.0000    0.0000    20.389  3.7456  ?       ?       ?              ?        
1 1 1 -9  12  34 f 20.292  3.8731  60.597    20.283    60.597    20.283    0.0000    0.0000    20.292  3.8731  ?       ?       ?              ?        
1 1 1 -9  12  35 o 18.890  4.1587  53.650    20.472    53.650    20.472    0.0000    0.0000    18.890  4.1587  ?       ?       ?              ?        
1 1 1 -9  12  36 o 23.193  3.6984  78.925    22.203    78.925    22.203    0.0000    0.0000    23.193  3.6984  ?       ?       ?              ?        
1 1 1 -9  12  37 o 14.799  4.5246  33.910    19.598    33.910    19.598    0.0000    0.0000    14.799  4.5246  ?       ?       ?              ?        
1 1 1 -9  12  38 o 16.185  3.8299  43.210    17.868    44.391    20.007    38.556    39.720    16.688  4.4096  15.682  6.2633  1.006202       7.659845 
1 1 1 -9  13  1  o 322.983 6.0586  14061.65  524.133   14010.70  740.808   14112.72  741.665   322.395 8.5788  323.572 8.5575  -1.176819      12.11725 
1 1 1 -9  13  2  o 167.388 3.3836  3760.80   151.699   3727.69   214.364   3794.02   214.705   166.648 4.8024  168.127 4.7678  -1.478760      6.767197 
1 1 1 -9  13  3  o 48.115  1.7846  311.119   22.911    321.483   32.518    300.903   32.285    48.915  2.4902  47.315  2.5570  1.600101       3.569173 
1 1 1 -9  13  4  o 126.018 2.7781  2130.79   93.769    2114.26   132.805   2147.22   132.414   125.529 3.9499  126.506 3.9078  -0.9770737     5.556290 
1 1 1 -9  13  5  o 108.371 2.5078  1575.48   72.783    1609.91   103.119   1541.30   102.742   109.552 3.5142  107.189 3.5786  2.362724       5.015568 
1 1 1 -9  13  6  o 62.406  2.7175  522.122   45.424    522.122   45.424    0.0000    0.0000    62.406  2.7175  ?       ?       ?              ?        
1 1 1 -9  13  7  o 103.138 3.3925  1427.14   93.719    1427.14   93.719    0.0000    0.0000    103.138 3.3925  ?       ?       ?              ?        
1 1 1 -9  13  8  o 161.339 4.6777  3498.53   202.143   3498.53   202.143   0.0000    0.0000    161.339 4.6777  ?       ?       ?              ?        
1 1 1 -9  13  9  o 165.822 4.8173  3697.18   213.961   3697.18   213.961   0.0000    0.0000    165.822 4.8173  ?       ?       ?              ?        
1 1 1 -9  13  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  13  11 o 117.394 3.7026  1850.39   116.425   1850.39   116.425   0.0000    0.0000    117.394 3.7026  ?       ?       ?              ?        
1 1 1 -9  13  12 o 143.685 4.2675  2774.56   164.237   2774.56   164.237   0.0000    0.0000    143.685 4.2675  ?       ?       ?              ?        
1 1 1 -9  13  13 o 24.513  3.1428  81.943    20.159    81.943    20.159    0.0000    0.0000    24.513  3.1428  ?       ?       ?              ?        
1 1 1 -9  13  14 o 33.602  2.6989  152.417   24.086    152.417   24.086    0.0000    0.0000    33.602  2.6989  ?       ?       ?              ?        
1 1 1 -9  13  15 o 202.205 5.6056  5514.31   303.603   5514.31   303.603   0.0000    0.0000    202.205 5.6056  ?       ?       ?              ?        
1 1 1 -9  13  16 o 107.332 3.4988  1547.62   100.586   1547.62   100.586   0.0000    0.0000    107.332 3.4988  ?       ?       ?              ?        
1 1 1 -9  13  17 o 75.882  2.9677  773.186   60.318    773.186   60.318    0.0000    0.0000    75.882  2.9677  ?       ?       ?              ?        
1 1 1 -9  13  18 o 73.226  2.9717  720.411   58.284    720.411   58.284    0.0000    0.0000    73.226  2.9717  ?       ?       ?              ?        
1 1 1 -9  13  19 o 59.455  2.8170  475.064   44.861    475.064   44.861    0.0000    0.0000    59.455  2.8170  ?       ?       ?              ?        
1 1 1 -9  13  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  13  21 o 54.812  2.7385  404.384   40.205    404.384   40.205    0.0000    0.0000    54.812  2.7385  ?       ?       ?              ?        
1 1 1 -9  13  22 o 100.034 3.4754  1353.57   93.120    1353.57   93.120    0.0000    0.0000    100.034 3.4754  ?       ?       ?              ?        
1 1 1 -9  13  23 o 65.588  2.9008  580.961   50.960    580.961   50.960    0.0000    0.0000    65.588  2.9008  ?       ?       ?              ?        
1 1 1 -9  13  24 o 95.501  3.4239  1238.24   87.583    1238.24   87.583    0.0000    0.0000    95.501  3.4239  ?       ?       ?              ?        
1 1 1 -9  13  25 o 41.722  2.7721  236.506   30.802    236.506   30.802    0.0000    0.0000    41.722  2.7721  ?       ?       ?              ?        
1 1 1 -9  13  26 o 65.867  2.8998  588.384   51.159    588.384   51.159    0.0000    0.0000    65.867  2.8998  ?       ?       ?              ?        
1 1 1 -9  13  27 o 40.577  2.8344  224.629   30.613    224.629   30.613    0.0000    0.0000    40.577  2.8344  ?       ?       ?              ?        
1 1 1 -9  13  28 o 41.837  2.8441  239.338   31.682    239.338   31.682    0.0000    0.0000    41.837  2.8441  ?       ?       ?              ?        
1 1 1 -9  13  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  13  30 o 24.708  3.3274  85.739    21.460    85.739    21.460    0.0000    0.0000    24.708  3.3274  ?       ?       ?              ?        
1 1 1 -9  13  31 o 31.853  3.0582  141.433   25.771    141.433   25.771    0.0000    0.0000    31.853  3.0582  ?       ?       ?              ?        
1 1 1 -9  13  32 o 18.689  3.8735  51.214    18.753    51.214    18.753    0.0000    0.0000    18.689  3.8735  ?       ?       ?              ?        
1 1 1 -9  13  33 o 11.208  4.0804  15.765    15.877    15.765    15.877    0.0000    0.0000    11.208  4.0804  ?       ?       ?              ?        
1 1 1 -9  13  34 o 29.868  3.2641  127.093   25.688    127.093   25.688    0.0000    0.0000    29.868  3.2641  ?       ?       ?              ?        
1 1 1 -9  13  35 o 9.5921  3.0692  -3.0360   14.687    2.7845    16.262    -28.7853  34.205    9.0746  3.8502  10.110  4.7807  -1.035130      6.138354 
1 1 1 -9  13  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  13  37 o 9.4045  2.7932  4.9531    12.018    8.9772    16.648    0.5729    17.368    9.9112  4.0207  8.8979  3.8783  1.013325       5.586301 
1 1 1 -9  14  1  o 111.897 2.5269  1679.40   75.732    1659.48   106.760   1699.57   107.445   111.229 3.5835  112.565 3.5636  -1.336418      5.053784 
1 1 1 -9  14  2  o 221.660 4.3065  6612.11   255.670   6688.13   361.451   6535.99   361.691   222.941 6.0530  220.378 6.1275  2.563141       8.613037 
1 1 1 -9  14  3  o 182.794 3.7035  4492.44   181.305   4405.71   256.354   4579.23   256.454   181.023 5.2871  184.566 5.1876  -3.543625      7.407094 
1 1 1 -9  14  4  o 108.514 2.5030  1579.94   72.750    1582.42   103.055   1577.47   102.713   108.599 3.5429  108.429 3.5366  0.1695786      5.005975 
1 1 1 -9  14  5  o 118.754 2.6476  1893.01   84.206    1868.03   119.299   1917.81   118.872   117.971 3.7755  119.537 3.7127  -1.566025      5.295135 
1 1 1 -9  14  6  f 52.888  1.8476  375.473   26.127    383.252   37.101    367.819   36.800    53.465  2.5907  52.311  2.6349  1.154690       3.695234 
1 1 1 -9  14  7  o 59.565  1.9177  475.721   30.592    486.915   43.488    464.755   43.043    60.259  2.6944  58.871  2.7297  1.388214       3.835440 
1 1 1 -9  14  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  14  9  o 80.742  2.6655  868.175   53.693    853.303   64.913    900.393   95.541    79.753  3.0388  81.732  4.3802  -1.979050      5.331040 
1 1 1 -9  14  10 o 150.089 4.5248  3028.78   181.904   3028.78   181.904   0.0000    0.0000    150.089 4.5248  ?       ?       ?              ?        
1 1 1 -9  14  11 f 54.068  2.7341  393.080   39.467    393.080   39.467    0.0000    0.0000    54.068  2.7341  ?       ?       ?              ?        
1 1 1 -9  14  12 o 28.108  2.8302  107.045   21.018    107.045   21.018    0.0000    0.0000    28.108  2.8302  ?       ?       ?              ?        
1 1 1 -9  14  13 o 217.167 5.9914  6364.81   348.504   6364.81   348.504   0.0000    0.0000    217.167 5.9914  ?       ?       ?              ?        
1 1 1 -9  14  14 o 50.814  2.7268  347.404   36.978    347.404   36.978    0.0000    0.0000    50.814  2.7268  ?       ?       ?              ?        
1 1 1 -9  14  15 o 242.648 6.5916  7977.75   428.406   7977.75   428.406   0.0000    0.0000    242.648 6.5916  ?       ?       ?              ?        
1 1 1 -9  14  16 o 92.442  3.2484  1148.33   80.431    1148.33   80.431    0.0000    0.0000    92.442  3.2484  ?       ?       ?              ?        
1 1 1 -9  14  17 o 103.888 3.5179  1452.32   97.890    1452.32   97.890    0.0000    0.0000    103.888 3.5179  ?       ?       ?              ?        
1 1 1 -9  14  18 o 139.469 4.2815  2627.35   159.943   2627.35   159.943   0.0000    0.0000    139.469 4.2815  ?       ?       ?              ?        
1 1 1 -9  14  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  14  20 o 58.672  2.7854  463.533   43.773    463.533   43.773    0.0000    0.0000    58.672  2.7854  ?       ?       ?              ?        
1 1 1 -9  14  21 o 31.610  2.7192  135.647   22.799    135.647   22.799    0.0000    0.0000    31.610  2.7192  ?       ?       ?              ?        
1 1 1 -9  14  22 o 23.040  2.9923  72.916    18.030    72.916    18.030    0.0000    0.0000    23.040  2.9923  ?       ?       ?              ?        
1 1 1 -9  14  23 f 43.986  2.7290  262.401   31.993    262.401   31.993    0.0000    0.0000    43.986  2.7290  ?       ?       ?              ?        
1 1 1 -9  14  24 o 26.800  2.9509  98.444    20.831    98.444    20.831    0.0000    0.0000    26.800  2.9509  ?       ?       ?              ?        
1 1 1 -9  14  25 o 57.580  2.8476  449.498   43.918    449.498   43.918    0.0000    0.0000    57.580  2.8476  ?       ?       ?              ?        
1 1 1 -9  14  26 o 26.641  3.0093  97.729    21.097    97.729    21.097    0.0000    0.0000    26.641  3.0093  ?       ?       ?              ?        
1 1 1 -9  14  27 o 55.675  2.8876  423.346   42.913    423.346   42.913    0.0000    0.0000    55.675  2.8876  ?       ?       ?              ?        
1 1 1 -9  14  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  14  29 o 27.155  3.2172  103.008   22.945    103.008   22.945    0.0000    0.0000    27.155  3.2172  ?       ?       ?              ?        
1 1 1 -9  14  30 o 14.435  4.1569  30.350    16.944    30.350    16.944    0.0000    0.0000    14.435  4.1569  ?       ?       ?              ?        
1 1 1 -9  14  31 o 10.390  3.1223  0.5237    12.464    -3.5882   13.951    16.780    27.740    7.6916  3.4093  13.088  5.2318  -5.396589      6.244605 
1 1 1 -9  14  32 o 16.430  2.9790  41.163    13.448    50.555    18.335    30.227    19.785    18.527  3.8218  14.333  4.5707  4.193191       5.957962 
1 1 1 -9  14  33 o 16.335  3.0278  40.593    13.459    44.510    18.460    36.148    19.665    17.224  4.0666  15.446  4.4869  1.778033       6.055529 
1 1 1 -9  14  34 o 9.8702  2.8365  7.3001    11.786    3.9567    16.228    11.032    17.145    9.2368  3.8785  10.504  4.1402  -1.266767      5.673091 
1 1 1 -9  14  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  14  36 o 23.260  2.7871  82.711    16.610    93.093    23.137    71.670    23.860    25.060  3.5460  21.460  4.3008  3.599741       5.574129 
1 1 1 -9  15  1  o 176.795 3.5887  4202.64   169.938   4227.34   239.989   4177.80   240.670   177.320 5.0530  176.271 5.0974  1.048187       7.177477 
1 1 1 -9  15  2  o 139.067 2.9792  2598.00   110.935   2671.44   156.776   2524.36   156.995   141.041 4.1500  137.092 4.2755  3.948959       5.958321 
1 1 1 -9  15  3  o 190.059 3.7465  4861.71   190.619   4672.04   269.363   5051.97   269.790   186.328 5.3972  193.790 5.1976  -7.461838      7.493040 
1 1 1 -9  15  4  f 212.541 4.1684  6086.17   237.292   6159.30   335.877   6013.29   335.286   213.822 5.8646  211.260 5.9253  2.562637       8.336811 
1 1 1 -9  15  5  o 155.470 3.2221  3249.30   134.166   3212.05   189.990   3286.36   189.489   154.577 4.5888  156.363 4.5244  -1.785980      6.444143 
1 1 1 -9  15  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  15  7  o 85.577  2.1869  982.528   50.127    993.131   71.133    972.068   70.649    86.036  3.0868  85.118  3.0988  0.9178238      4.373878 
1 1 1 -9  15  8  o 104.115 2.4484  1455.19   68.276    1444.45   96.782    1465.83   96.335    103.731 3.4833  104.499 3.4418  -0.7677460     4.896880 
1 1 1 -9  15  9  o 135.180 2.9217  2455.51   105.784   2482.46   149.949   2428.81   149.258   135.920 4.1188  134.440 4.1449  1.479721       5.843363 
1 1 1 -9  15  10 o 106.804 2.5292  1531.85   72.343    1505.16   102.501   1558.34   102.118   105.874 3.6145  107.734 3.5388  -1.859940      5.058459 
1 1 1 -9  15  11 o 122.929 2.7244  2030.98   89.631    2131.35   127.027   1931.45   126.490   125.964 3.7650  119.895 3.9388  6.069572       5.448790 
1 1 1 -9  15  12 o 56.646  1.9166  431.161   29.005    452.859   41.107    409.648   40.931    58.104  2.6413  55.188  2.7778  2.915688       3.833156 
1 1 1 -9  15  13 o 149.526 3.1258  3009.85   125.150   3096.13   176.934   2923.46   177.044   151.682 4.3550  147.370 4.4852  4.311798       6.251676 
1 1 1 -9  15  14 o 24.552  2.6313  76.358    15.494    67.183    18.238    100.157   29.372    22.143  3.1651  26.961  4.2044  -4.818396      5.262608 
1 1 1 -9  15  15 o 136.175 3.7028  2511.32   125.700   2518.31   152.307   2496.39   222.604   136.713 4.1593  135.638 6.1272  1.075089       7.405577 
1 1 1 -9  15  16 o 197.493 5.6436  5293.06   298.535   5293.06   298.535   0.0000    0.0000    197.493 5.6436  ?       ?       ?              ?        
1 1 1 -9  15  17 o 148.018 4.4207  2963.09   175.265   2963.09   175.265   0.0000    0.0000    148.018 4.4207  ?       ?       ?              ?        
1 1 1 -9  15  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  15  19 o 15.142  3.5730  32.235    14.257    32.235    14.257    0.0000    0.0000    15.142  3.5730  ?       ?       ?              ?        
1 1 1 -9  15  20 o 60.964  2.8506  501.409   46.548    501.409   46.548    0.0000    0.0000    60.964  2.8506  ?       ?       ?              ?        
1 1 1 -9  15  21 o 86.342  3.2362  1009.59   74.842    1009.59   74.842    0.0000    0.0000    86.342  3.2362  ?       ?       ?              ?        
1 1 1 -9  15  22 f 57.509  2.8114  447.235   43.307    447.235   43.307    0.0000    0.0000    57.509  2.8114  ?       ?       ?              ?        
1 1 1 -9  15  23 o 48.545  2.7769  332.864   31.187    342.976   36.550    305.789   59.806    50.279  2.7242  46.811  4.8397  3.467232       5.553746 
1 1 1 -9  15  24 o 61.898  2.7599  518.628   40.985    508.401   48.235    545.188   77.734    61.202  2.9424  62.594  4.6701  -1.391655      5.519733 
1 1 1 -9  15  25 o 20.901  3.1552  47.313    15.189    32.555    17.119    101.926   32.931    15.114  4.1170  26.687  4.7825  -11.57345      6.310491 
1 1 1 -9  15  26 o 44.090  2.0662  266.203   24.244    268.885   33.746    263.342   34.853    44.342  2.8566  43.838  2.9860  0.5032082      4.132339 
1 1 1 -9  15  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  15  28 o 42.369  2.0900  247.830   23.554    254.131   33.052    241.328   33.575    42.946  2.8901  41.792  3.0197  1.154003       4.179907 
1 1 1 -9  15  29 o 8.2659  2.4731  -1.3639   10.035    8.4922    14.009    -11.7487  14.380    9.6040  3.7555  6.9278  3.2187  2.676268       4.946099 
1 1 1 -9  15  30 o 12.694  2.8289  20.971    11.589    8.2018    15.898    35.447    16.928    9.9102  3.9610  15.477  4.0401  -5.566954      5.657888 
1 1 1 -9  15  31 o 43.757  2.1578  268.180   25.091    248.628   34.921    289.046   36.075    42.058  3.1222  45.457  2.9794  -3.398952      4.315670 
1 1 1 -9  15  32 o 19.317  2.8796  55.835    14.437    61.692    20.406    49.964    20.429    20.445  3.8680  18.189  4.2668  2.255468       5.759113 
1 1 1 -9  15  33 o 35.352  2.2737  177.889   21.272    180.628   29.602    174.963   30.588    35.690  3.1281  35.013  3.3005  0.6765442      4.547366 
1 1 1 -9  15  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  15  35 o 17.982  3.0925  51.400    14.938    61.711    20.848    40.521    21.416    20.062  4.0198  15.902  4.7006  4.160117       6.185004 
1 1 1 -9  16  1  o 104.885 2.4495  1476.40   68.814    1472.63   96.983    1480.22   97.655    104.751 3.4566  105.020 3.4717  -0.2688293     4.899044 
1 1 1 -9  16  2  o 208.173 4.0905  5840.48   227.974   5625.17   321.930   6057.06   322.878   204.302 5.8830  212.044 5.6849  -7.741821      8.180954 
1 1 1 -9  16  3  o 52.083  1.8657  364.531   25.930    390.877   36.825    338.624   36.517    53.992  2.5464  50.175  2.7274  3.816605       3.731342 
1 1 1 -9  16  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  16  5  o 94.004  2.3490  1186.30   59.101    1244.25   83.880    1129.16   83.287    96.289  3.2523  91.719  3.3902  4.569283       4.697994 
1 1 1 -9  16  6  o 93.774  2.3367  1180.17   58.687    1202.34   83.311    1158.33   82.685    94.650  3.2862  92.899  3.3230  1.751007       4.673454 
1 1 1 -9  16  7  o 103.863 2.4640  1448.19   68.546    1459.49   97.290    1437.06   96.591    104.265 3.4837  103.461 3.4855  0.8042679      4.928000 
1 1 1 -9  16  8  o 52.377  1.9308  368.904   26.988    380.199   38.404    357.884   37.933    53.173  2.7054  51.581  2.7556  1.592201       3.861693 
1 1 1 -9  16  9  o 60.648  1.9752  495.378   31.915    450.848   45.329    539.155   44.944    57.894  2.9327  63.402  2.6465  -5.508030      3.950333 
1 1 1 -9  16  10 o 62.794  1.9593  528.957   32.929    557.009   46.906    501.697   46.240    64.437  2.7177  61.150  2.8231  3.287060       3.918656 
1 1 1 -9  16  11 o 181.634 3.6321  4447.27   176.699   4436.37   250.050   4458.13   249.732   181.409 5.1461  181.858 5.1269  -0.4488525     7.264102 
1 1 1 -9  16  12 o 135.752 2.9725  2480.95   108.040   2399.92   152.806   2561.95   152.778   133.524 4.2726  137.980 4.1339  -4.456192      5.945083 
1 1 1 -9  16  13 o 59.663  1.9479  477.936   31.128    475.174   44.078    480.684   43.966    59.491  2.7662  59.836  2.7433  -0.3451920     3.895805 
1 1 1 -9  16  14 f 203.483 4.0260  5615.21   219.412   5532.77   310.188   5697.77   310.402   201.970 5.7339  204.996 5.6532  -3.025787      8.052052 
1 1 1 -9  16  15 o 154.184 3.2260  3214.23   133.229   3210.51   188.370   3217.96   188.458   154.094 4.5639  154.273 4.5607  -0.1796112     6.452094 
1 1 1 -9  16  16 o 39.409  1.9229  209.776   20.158    220.465   28.756    199.448   28.265    40.406  2.6721  38.412  2.7658  1.994667       3.845724 
1 1 1 -9  16  17 o 94.512  3.3704  1205.37   85.321    1205.37   85.321    0.0000    0.0000    94.512  3.3704  ?       ?       ?              ?        
1 1 1 -9  16  18 o 51.925  1.9714  364.400   27.316    359.719   38.641    369.075   38.620    51.587  2.8071  52.262  2.7688  -0.6751442     3.942804 
1 1 1 -9  16  19 o 34.338  1.9643  160.135   17.905    165.376   25.347    154.915   25.295    34.910  2.7325  33.766  2.8228  1.144295       3.928694 
1 1 1 -9  16  20 f 16.958  2.4540  40.369    10.772    45.282    15.483    35.760    14.996    17.998  3.3344  15.917  3.6015  2.081707       4.908050 
1 1 1 -9  16  21 o 30.471  2.0031  126.663   16.161    126.566   22.770    126.761   22.941    30.461  2.8228  30.481  2.8428  -0.1955986E-01 4.006197 
1 1 1 -9  16  22 o 16.737  2.5765  39.652    11.223    39.823    15.812    39.479    15.931    16.777  3.6246  16.697  3.6629  0.7975197E-01  5.153083 
1 1 1 -9  16  23 o 63.145  2.0936  541.441   35.407    533.190   49.773    549.894   50.378    62.657  2.9658  63.634  2.9557  -0.9769020     4.187132 
1 1 1 -9  16  24 o 28.812  2.1469  114.301   16.237    101.354   22.682    127.908   23.252    27.081  3.1881  30.543  2.8762  -3.461834      4.293775 
1 1 1 -9  16  25 o 24.529  2.2803  83.537    14.598    80.777    20.019    86.671    21.335    24.103  3.1783  24.955  3.2706  -0.8516369     4.560572 
1 1 1 -9  16  26 o 32.031  3.0804  141.922   26.102    141.922   26.102    0.0000    0.0000    32.031  3.0804  ?       ?       ?              ?        
1 1 1 -9  16  27 o 26.847  2.6071  106.604   16.820    152.262   23.835    61.314    23.739    33.254  2.6993  20.441  4.4612  12.81294       5.214228 
1 1 1 -9  16  28 o 26.176  2.3754  96.737    16.241    89.944    22.703    103.856   23.243    25.184  3.4569  27.169  3.2589  -1.985403      4.750867 
1 1 1 -9  16  29 o 36.919  2.1652  190.658   21.211    184.418   29.697    197.157   30.306    36.287  3.0846  37.551  3.0392  -1.263538      4.330342 
1 1 1 -9  16  30 o 17.982  2.8588  48.300    13.666    64.719    19.644    32.899    19.025    21.118  3.6021  14.846  4.4402  6.271432       5.717598 
1 1 1 -9  16  31 f 24.076  2.6040  84.546    16.194    91.485    22.721    77.382    23.086    25.211  3.4557  22.942  3.8963  2.269087       5.208003 
1 1 1 -9  16  32 o 26.591  2.5503  103.541   17.445    117.918   24.317    88.296    25.040    28.743  3.2137  24.439  3.9609  4.303551       5.100632 
1 1 1 -9  16  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  16  34 o 15.102  3.2239  36.155    14.163    38.371    19.637    33.753    20.447    15.568  4.4725  14.635  4.6444  0.9328642      6.447769 
1 1 1 -9  17  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  17  2  o 160.624 6.7186  3486.53   289.053   3486.53   289.053   0.0000    0.0000    160.624 6.7186  ?       ?       ?              ?        
1 1 1 -9  17  3  o 148.244 3.1411  2955.09   124.715   2994.59   176.323   2915.54   176.425   149.239 4.4110  147.248 4.4732  1.991196       6.282240 
1 1 1 -9  17  4  o 113.160 2.5864  1719.68   78.389    1701.08   110.893   1738.25   110.824   112.546 3.6786  113.773 3.6367  -1.226631      5.172784 
1 1 1 -9  17  5  o 115.438 2.6686  1789.89   82.510    1815.54   116.999   1764.50   116.376   116.263 3.7571  114.614 3.7909  1.648849       5.337255 
1 1 1 -9  17  6  o 199.053 3.9819  5342.37   212.264   5238.14   300.431   5446.26   299.942   197.100 5.6908  201.005 5.5711  -3.905640      7.963781 
1 1 1 -9  17  7  o 163.380 3.3610  3592.37   147.080   3614.97   208.403   3569.95   207.603   163.893 4.7474  162.867 4.7590  1.025620       6.722008 
1 1 1 -9  17  8  o 173.459 3.5455  4052.87   164.725   4042.29   233.274   4063.39   232.640   173.230 5.0275  173.687 5.0007  -0.4570313     7.091029 
1 1 1 -9  17  9  o 195.240 3.9261  5144.26   205.316   5144.95   290.677   5143.57   290.043   195.251 5.5581  195.228 5.5467  0.2311707E-01  7.852284 
1 1 1 -9  17  10 o 248.867 4.8885  8405.18   325.833   8282.29   460.978   8527.88   460.617   247.024 6.9671  250.710 6.8593  -3.686874      9.777021 
1 1 1 -9  17  11 o 140.318 2.9960  2651.95   112.598   2681.85   159.542   2622.27   158.936   141.109 4.2211  139.527 4.2528  1.582138       5.992026 
1 1 1 -9  17  12 o 33.753  1.9609  154.974   17.412    133.117   24.717    176.508   24.533    31.335  2.9808  36.171  2.5486  -4.835844      3.921798 
1 1 1 -9  17  13 o 141.796 3.0200  2714.11   114.698   2739.76   162.393   2688.57   162.021   142.469 4.2556  141.124 4.2863  1.345398       6.040048 
1 1 1 -9  17  14 o 66.272  2.0467  590.724   36.330    594.825   51.509    586.663   51.248    66.501  2.8917  66.043  2.8971  0.4583588      4.093327 
1 1 1 -9  17  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  17  16 o 104.148 2.4784  1465.95   69.128    1439.11   97.708    1492.85   97.815    103.185 3.5353  105.111 3.4743  -1.925659      4.956719 
1 1 1 -9  17  17 o 40.692  1.9522  224.290   21.125    238.512   30.068    210.429   29.685    41.983  2.6880  39.400  2.8318  2.582985       3.904395 
1 1 1 -9  17  18 o 22.159  2.2461  68.031    12.756    82.345    18.329    54.586    17.764    24.534  2.8418  19.785  3.4791  4.749310       4.492198 
1 1 1 -9  17  19 o 101.399 2.4993  1397.48   67.873    1418.83   95.970    1376.11   96.004    102.186 3.5064  100.613 3.5624  1.573311       4.998553 
1 1 1 -9  17  20 o 40.036  1.9540  217.981   20.797    205.484   29.379    230.533   29.445    38.863  2.8421  41.209  2.6823  -2.346024      3.907917 
1 1 1 -9  17  21 o 21.539  2.3564  65.516    12.819    83.580    18.237    47.874    18.022    24.685  2.8083  18.392  3.7846  6.292891       4.712730 
1 1 1 -9  17  22 o 20.717  2.4520  60.289    13.063    68.411    18.564    52.323    18.384    22.192  3.2168  19.241  3.7014  2.950991       4.903954 
1 1 1 -9  17  23 o 14.846  2.7105  31.402    11.271    19.574    15.944    43.219    15.936    12.233  4.1150  17.459  3.5291  -5.226083      5.421074 
1 1 1 -9  17  24 o 14.014  2.6884  28.011    10.812    16.921    15.511    38.491    15.079    11.602  4.0538  16.427  3.5321  -4.825029      5.376753 
1 1 1 -9  17  25 o 27.986  2.2922  109.576   16.724    123.168   23.597    95.857    23.707    29.837  2.9930  26.134  3.4726  3.702209       4.584431 
1 1 1 -9  17  26 o 17.967  2.8569  47.421    13.541    35.670    19.193    59.066    19.106    15.621  4.3997  20.313  3.6455  -4.692374      5.713744 
1 1 1 -9  17  27 o 41.943  2.1316  244.485   23.779    236.365   33.429    252.803   33.832    41.217  3.0497  42.669  2.9789  -1.451946      4.263174 
1 1 1 -9  17  28 o 22.896  2.5978  76.082    15.229    89.749    21.655    62.708    21.420    25.136  3.2957  20.655  4.0164  4.481058       5.195506 
1 1 1 -9  17  29 o 6.3506  2.1140  -14.2866  9.3859    -8.0448   13.253    -20.5676  13.294    6.9201  3.1697  5.7812  2.7979  1.138922       4.227924 
1 1 1 -9  17  30 o 32.624  2.2986  151.217   19.817    149.457   27.792    153.038   28.264    32.434  3.2426  32.814  3.2589  -0.3798981     4.597280 
1 1 1 -9  17  31 o 34.887  2.3254  173.690   21.385    155.915   29.876    192.367   30.624    32.947  3.4360  36.828  3.1344  -3.880566      4.650885 
1 1 1 -9  17  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  17  33 o 27.655  2.5737  113.618   18.601    114.187   26.254    113.045   26.356    27.739  3.6199  27.570  3.6596  0.1694679      5.147406 
1 1 1 -9  18  1  o 92.231  2.2927  1141.69   56.636    1125.42   79.780    1158.23   80.416    91.567  3.2529  92.894  3.2319  -1.326752      4.585474 
1 1 1 -9  18  2  o 64.258  1.9926  554.045   34.276    531.239   48.361    577.064   48.588    62.927  2.8693  65.589  2.7657  -2.661999      3.985226 
1 1 1 -9  18  3  o 177.322 3.6148  4234.73   171.674   4173.95   242.606   4295.69   242.961   176.041 5.1452  178.603 5.0788  -2.561844      7.229554 
1 1 1 -9  18  4  o 124.162 2.7769  2071.56   92.350    2088.53   130.727   2054.65   130.477   124.671 3.9148  123.653 3.9395  1.017921       5.553882 
1 1 1 -9  18  5  o 127.500 2.8146  2185.12   96.109    2151.65   136.074   2218.43   135.765   126.521 4.0153  128.478 3.9452  -1.956329      5.629178 
1 1 1 -9  18  6  o 83.842  2.2255  943.638   49.977    945.030   70.920    942.264   70.438    83.903  3.1558  83.781  3.1388  0.1217957      4.450983 
1 1 1 -9  18  7  o 167.634 3.4612  3787.18   155.382   3708.43   219.945   3865.64   219.541   165.883 4.9502  169.386 4.8389  -3.503082      6.922427 
1 1 1 -9  18  8  o 57.081  1.9650  438.019   29.981    426.248   42.550    449.624   42.250    56.281  2.8316  57.881  2.7252  -1.600040      3.929967 
1 1 1 -9  18  9  o 39.381  1.9200  209.157   20.127    210.712   28.673    207.648   28.259    39.525  2.7251  39.237  2.7053  0.2877464      3.839906 
1 1 1 -9  18  10 o 124.598 2.7627  2090.83   92.196    2118.58   130.765   2063.41   130.008   125.423 3.8925  123.774 3.9215  1.648903       5.525381 
1 1 1 -9  18  11 o 39.117  1.9974  206.761   20.771    204.381   29.855    208.994   28.917    38.890  2.8866  39.344  2.7615  -0.4537659     3.994818 
1 1 1 -9  18  12 o 41.849  1.9644  236.535   21.889    232.014   31.110    240.966   30.802    41.446  2.8192  42.252  2.7365  -0.8059464     3.928891 
1 1 1 -9  18  13 o 76.847  2.5521  780.310   50.360    860.572   85.576    737.788   62.287    79.685  4.0224  74.009  3.1421  5.676498       5.104224 
1 1 1 -9  18  14 o 63.757  4.4663  554.525   75.790    554.525   75.790    0.0000    0.0000    63.757  4.4663  ?       ?       ?              ?        
1 1 1 -9  18  15 o 104.291 2.5268  1472.37   70.546    1532.96   100.015   1412.37   99.522    106.447 3.5079  102.136 3.6379  4.311432       5.053665 
1 1 1 -9  18  16 o 60.924  2.0287  501.034   33.099    514.198   47.006    488.089   46.614    61.722  2.8433  60.126  2.8945  1.595905       4.057372 
1 1 1 -9  18  17 o 103.636 2.5359  1459.08   70.393    1465.26   99.644    1452.92   99.457    103.856 3.5820  103.415 3.5906  0.4417953      5.071791 
1 1 1 -9  18  18 o 77.664  2.2061  817.970   45.862    784.467   64.822    851.550   64.897    76.052  3.1822  79.276  3.0563  -3.223755      4.412152 
1 1 1 -9  18  19 o 21.026  2.3047  61.443    12.556    60.155    17.822    62.711    17.692    20.791  3.3115  21.261  3.2063  -0.4706497     4.609342 
1 1 1 -9  18  20 o 36.961  2.0158  186.311   19.801    186.837   28.085    185.790   27.923    37.012  2.8550  36.909  2.8464  0.1023445      4.031513 
1 1 1 -9  18  21 o 22.333  2.4210  70.449    13.700    88.890    19.546    52.643    19.206    25.413  2.9250  19.254  3.8586  6.158371       4.841968 
1 1 1 -9  18  22 o 22.239  2.3964  69.378    13.783    64.450    19.685    74.117    19.304    21.400  3.5592  23.078  3.2097  -1.678188      4.792750 
1 1 1 -9  18  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  18  24 o 49.613  2.1094  338.959   27.880    323.165   39.309    354.945   39.547    48.417  3.0467  50.809  2.9182  -2.391830      4.218744 
1 1 1 -9  18  25 o 37.360  2.1237  193.499   21.070    196.046   29.791    190.951   29.805    37.617  2.9812  37.103  3.0254  0.5134087      4.247410 
1 1 1 -9  18  26 o 20.788  2.6646  62.718    14.262    68.329    20.064    56.988    20.276    21.833  3.5532  19.744  3.9717  2.088667       5.329119 
1 1 1 -9  18  27 o 13.022  2.8236  22.658    11.857    7.7238    16.563    38.357    16.981    9.9554  4.0203  16.088  3.9660  -6.132400      5.647295 
1 1 1 -9  18  28 o 15.828  2.7589  36.134    12.667    60.038    18.555    15.271    17.334    20.340  3.5339  11.315  4.2376  9.025562       5.517791 
1 1 1 -9  18  29 o 12.541  2.8952  20.547    11.989    34.408    17.452    8.1592    16.498    15.126  4.1722  9.9547  4.0151  5.171696       5.790310 
1 1 1 -9  18  30 o 27.086  2.5055  106.436   17.698    99.358    25.023    113.521   25.036    26.092  3.6829  28.079  3.3979  -1.987310      5.010927 
1 1 1 -9  18  31 o 17.923  5.0906  51.684    25.582    51.684    25.582    0.0000    0.0000    17.923  5.0906  ?       ?       ?              ?        
1 1 1 -9  18  32 o 29.091  2.5626  125.659   19.494    116.905   27.329    134.726   27.814    27.956  3.7437  30.225  3.5004  -2.268835      5.125257 
1 1 1 -9  19  1  o 137.801 2.9489  2552.98   108.836   2515.42   153.350   2591.10   154.490   136.777 4.1858  138.824 4.1548  -2.046204      5.897731 
1 1 1 -9  19  2  f 30.123  1.9950  122.791   15.901    123.411   22.881    122.211   22.114    30.193  2.8635  30.054  2.7786  0.1388607      3.990020 
1 1 1 -9  19  3  o 99.584  2.4110  1331.83   64.310    1322.84   90.770    1340.89   91.127    99.246  3.4146  99.922  3.4048  -0.6757889     4.822062 
1 1 1 -9  19  4  o 186.913 3.7989  4713.26   190.185   4746.84   268.982   4679.69   268.944   187.583 5.3535  186.242 5.3913  1.341019       7.597781 
1 1 1 -9  19  5  o 83.488  2.2682  936.109   50.715    957.602   71.907    914.836   71.538    84.443  3.1792  82.532  3.2361  1.911232       4.536493 
1 1 1 -9  19  6  o 164.015 3.3741  3627.23   148.219   3672.14   209.861   3582.54   209.367   165.033 4.7476  162.996 4.7956  2.036957       6.748121 
1 1 1 -9  19  7  o 87.002  2.2597  1017.43   52.646    993.656   74.606    1041.01   74.300    85.985  3.2394  88.019  3.1516  -2.033424      4.519500 
1 1 1 -9  19  8  o 170.465 3.5472  3928.98   161.960   3943.67   229.402   3914.38   228.693   170.784 5.0149  170.147 5.0181  0.6364746      7.094386 
1 1 1 -9  19  9  o 88.463  2.3098  1053.17   54.717    1031.08   77.635    1074.96   77.130    87.536  3.3112  89.391  3.2214  -1.854630      4.619636 
1 1 1 -9  19  10 o 108.324 2.5790  1581.82   74.826    1593.56   106.248   1570.26   105.397   108.723 3.6485  107.925 3.6460  0.7974930      5.157989 
1 1 1 -9  19  11 o 65.972  2.0795  585.654   36.739    600.428   52.377    571.345   51.547    66.792  2.9277  65.151  2.9539  1.640594       4.158916 
1 1 1 -9  19  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  19  13 o 78.367  2.1990  828.773   46.135    863.969   65.645    794.421   64.853    80.020  3.0628  76.714  3.1562  3.305977       4.397966 
1 1 1 -9  19  14 o 104.039 2.5535  1467.70   71.130    1423.27   100.753   1511.85   100.433   102.447 3.6717  105.630 3.5498  -3.183090      5.107065 
1 1 1 -9  19  15 o 33.088  1.9793  149.152   17.335    139.238   24.657    158.843   24.377    31.970  2.9114  34.205  2.6823  -2.234406      3.958608 
1 1 1 -9  19  16 o 74.928  2.1892  760.590   43.931    774.944   62.316    746.407   61.943    75.637  3.0759  74.220  3.1159  1.416664       4.378362 
1 1 1 -9  19  17 o 17.998  2.4717  45.492    11.482    47.262    16.526    43.840    15.965    18.345  3.4908  17.651  3.5004  0.6937370      4.943476 
1 1 1 -9  19  18 o 22.507  2.2464  70.104    13.162    72.195    18.868    68.122    18.369    22.842  3.1693  22.173  3.1844  0.6690445      4.492729 
1 1 1 -9  19  19 o 25.779  2.1839  91.780    14.727    99.552    20.840    84.026    20.815    26.921  2.9379  24.638  3.2322  2.283180       4.367825 
1 1 1 -9  19  20 o 44.060  2.0031  264.920   23.513    265.774   33.482    264.090   33.027    44.126  2.8481  43.994  2.8175  0.1317482      4.006285 
1 1 1 -9  19  21 o 49.716  2.0500  338.161   27.174    345.679   38.400    330.620   38.459    50.284  2.8629  49.148  2.9349  1.136459       4.100006 
1 1 1 -9  19  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  19  23 o 43.725  2.1251  264.284   24.675    244.204   34.897    284.361   34.894    42.002  3.1243  45.447  2.8814  -3.445522      4.250169 
1 1 1 -9  19  24 o 17.479  2.8478  45.062    13.182    34.836    18.750    55.056    18.537    15.407  4.3518  19.551  3.6746  -4.144113      5.695656 
1 1 1 -9  19  25 o 32.525  2.2514  149.032   19.160    126.227   26.893    172.539   27.304    29.852  3.4255  35.198  2.9226  -5.346226      4.502872 
1 1 1 -9  19  26 o 17.662  2.7972  47.187    13.596    22.841    19.196    71.696    19.260    12.927  4.5101  22.397  3.3102  -9.469949      5.594471 
1 1 1 -9  19  27 o 37.431  2.2431  198.632   22.122    221.505   31.157    175.382   31.414    39.757  2.9469  35.106  3.3827  4.651276       4.486287 
1 1 1 -9  19  28 o 27.709  2.4670  110.772   17.785    123.207   25.184    98.397    25.122    29.406  3.2517  26.011  3.7110  3.395069       4.934065 
1 1 1 -9  19  29 o 18.861  3.0667  54.434    15.184    50.416    21.633    58.336    21.317    18.087  4.4870  19.635  4.1815  -1.547911      6.133380 
1 1 1 -9  19  30 o 15.315  3.2163  36.572    14.170    38.434    19.953    34.678    20.127    15.689  4.5087  14.941  4.5881  0.7479095      6.432686 
1 1 1 -9  19  31 o 33.748  2.4334  167.635   21.666    174.720   30.604    160.516   30.676    34.546  3.3495  32.949  3.5309  1.596710       4.866893 
1 1 1 -9  20  1  o 60.840  1.9650  496.682   32.020    490.721   45.001    502.795   45.570    60.471  2.7784  61.210  2.7795  -0.7393112     3.930001 
1 1 1 -9  20  2  o 48.845  1.9180  321.124   24.994    317.708   35.116    324.632   35.582    48.581  2.7094  49.109  2.7156  -0.5276947     3.836094 
1 1 1 -9  20  3  o 120.567 2.7256  1955.48   88.017    1963.41   124.242   1947.48   124.709   120.815 3.8394  120.319 3.8697  0.4952850      5.451156 
1 1 1 -9  20  4  o 121.748 2.7638  1995.08   90.128    2008.16   127.412   1981.97   127.507   122.150 3.8943  121.347 3.9230  0.8037720      5.527691 
1 1 1 -9  20  5  o 173.306 3.5952  4060.28   166.889   4072.21   236.168   4048.38   235.867   173.562 5.0802  173.051 5.0887  0.5111389      7.190461 
1 1 1 -9  20  6  o 109.647 2.5696  1618.77   75.465    1613.69   106.885   1623.82   106.561   109.474 3.6452  109.821 3.6226  -0.3468781     5.139150 
1 1 1 -9  20  7  o 112.795 2.6523  1715.24   80.100    1661.38   113.299   1769.07   113.258   111.013 3.8103  114.577 3.6904  -3.564445      5.304527 
1 1 1 -9  20  8  o 77.577  2.2152  811.586   45.914    747.608   65.068    875.031   64.797    74.511  3.2603  80.644  2.9998  -6.133942      4.430426 
1 1 1 -9  20  9  o 126.209 2.8342  2153.69   95.774    2230.82   135.912   2077.62   134.983   128.471 3.9497  123.947 4.0659  4.523544       5.668455 
1 1 1 -9  20  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  20  11 o 31.220  2.0009  132.447   16.546    131.262   23.599    133.593   23.204    31.076  2.8675  31.365  2.7913  -0.2888966     4.001748 
1 1 1 -9  20  12 o 31.570  2.0243  135.565   16.927    135.205   24.170    135.913   23.714    31.522  2.8950  31.617  2.8302  -0.9420967E-01 4.048576 
1 1 1 -9  20  13 o 61.921  2.0596  518.010   34.156    526.420   48.595    509.798   48.019    62.419  2.9066  61.423  2.9187  0.9956169      4.119133 
1 1 1 -9  20  14 o 66.532  2.1077  599.129   37.532    629.156   53.337    569.676   52.825    68.197  2.9199  64.866  3.0404  3.331017       4.215418 
1 1 1 -9  20  15 f 64.422  2.0821  562.212   35.921    552.081   50.924    572.245   50.677    63.836  2.9783  65.008  2.9104  -1.172081      4.164215 
1 1 1 -9  20  16 o 38.978  1.9816  206.724   20.546    212.175   29.297    201.449   28.822    39.489  2.7878  38.467  2.8169  1.022366       3.963175 
1 1 1 -9  20  17 o 53.410  2.0276  388.084   28.881    406.129   41.067    370.426   40.624    54.657  2.8147  52.164  2.9193  2.493706       4.055201 
1 1 1 -9  20  18 o 26.692  2.2195  98.353    15.504    108.559   22.196    88.627    21.667    28.097  2.9955  25.287  3.2760  2.809904       4.439081 
1 1 1 -9  20  19 o 38.286  2.0669  201.704   20.899    178.463   29.731    224.403   29.382    36.027  3.1115  40.544  2.7214  -4.517178      4.133715 
1 1 1 -9  20  20 o 57.818  2.1187  458.060   32.714    441.802   46.653    473.787   45.885    56.734  3.0816  58.902  2.9084  -2.167667      4.237366 
1 1 1 -9  20  21 o 23.919  2.4248  80.626    15.029    88.321    21.286    72.977    21.223    25.140  3.2362  22.698  3.6119  2.441822       4.849595 
1 1 1 -9  20  22 o 48.196  2.1118  320.989   27.109    308.678   38.417    333.199   38.260    47.239  3.0525  49.152  2.9192  -1.913059      4.223687 
1 1 1 -9  20  23 o 20.077  2.7271  58.930    14.085    48.197    19.977    69.539    19.862    18.073  4.2057  22.081  3.4730  -4.007334      5.454288 
1 1 1 -9  20  24 o 34.105  2.2054  163.076   19.912    170.340   28.521    156.167   27.813    34.866  3.0858  33.343  3.1516  1.523663       4.410800 
1 1 1 -9  20  25 o 18.076  2.9302  48.830    14.004    60.204    20.068    38.034    19.552    20.258  3.8390  15.894  4.4280  4.363892       5.860465 
1 1 1 -9  20  26 o 38.458  2.2569  210.247   22.703    249.248   32.298    172.158   31.918    42.214  2.8736  34.702  3.4809  7.512161       4.513769 
1 1 1 -9  20  27 o 10.740  2.9293  11.628    12.219    18.860    17.419    4.6233    17.144    11.930  4.2836  9.5500  3.9968  2.380280       5.858657 
1 1 1 -9  20  28 o 23.888  3.8451  84.412    23.767    0.0000    0.0000    84.412    23.767    ?       ?       23.888  3.8451  ?              ?        
1 1 1 -9  20  29 f 9.0328  2.6673  1.0471    11.497    -11.0511  16.139    13.511    16.381    7.3789  3.4219  10.687  4.0925  -3.307867      5.334563 
1 1 1 -9  21  1  o 46.423  1.9009  290.601   23.507    303.332   33.037    277.544   33.456    47.465  2.6086  45.380  2.7657  2.084496       3.801803 
1 1 1 -9  21  2  o 55.363  1.9820  412.189   29.337    404.400   41.305    420.117   41.674    54.797  2.8238  55.928  2.7819  -1.130604      3.963958 
1 1 1 -9  21  3  o 40.604  1.9561  222.905   21.075    243.844   29.869    202.143   29.742    42.529  2.6350  38.678  2.8918  3.851341       3.912287 
1 1 1 -9  21  4  o 25.704  2.2521  91.652    14.779    111.993   20.790    70.872    21.014    28.741  2.7336  22.668  3.5799  6.073513       4.504252 
1 1 1 -9  21  5  o 134.470 2.9652  2442.81   106.794   2475.93   151.163   2409.81   150.897   135.387 4.1685  133.553 4.2183  1.833725       5.930472 
1 1 1 -9  21  6  o 53.328  2.0111  383.633   28.610    358.298   40.506    408.854   40.416    51.517  2.9477  55.138  2.7366  -3.621490      4.022186 
1 1 1 -9  21  7  o 140.913 3.0404  2690.75   114.692   2800.92   162.550   2581.52   161.852   143.816 4.2198  138.010 4.3784  5.805725       6.080873 
1 1 1 -9  21  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  21  9  o 36.709  1.9852  182.731   19.365    178.599   27.489    186.801   27.284    36.288  2.8512  37.131  2.7632  -0.8427887     3.970445 
1 1 1 -9  21  10 o 58.832  2.0276  467.223   31.942    460.103   45.469    474.160   44.882    58.383  2.9076  59.281  2.8266  -0.8978729     4.055110 
1 1 1 -9  21  11 o 72.482  2.1861  710.737   42.391    756.867   60.411    665.990   59.499    74.817  3.0146  70.147  3.1667  4.669853       4.372133 
1 1 1 -9  21  12 o 76.072  2.2031  783.928   44.887    783.962   63.831    783.895   63.135    76.069  3.1328  76.076  3.0984  -0.6332397E-02 4.406189 
1 1 1 -9  21  13 o 51.248  2.0118  356.491   27.507    357.888   39.030    355.113   38.772    51.347  2.8491  51.149  2.8412  0.1981850      4.023615 
1 1 1 -9  21  14 o 65.264  2.1072  577.932   36.811    557.991   52.296    597.518   51.826    64.130  3.0445  66.398  2.9141  -2.268517      4.214363 
1 1 1 -9  21  15 o 19.014  2.5316  50.979    12.400    57.620    17.673    44.541    17.402    20.309  3.3667  17.720  3.7816  2.589653       5.063171 
1 1 1 -9  21  16 o 41.539  2.0264  235.358   22.405    241.068   31.923    229.815   31.452    42.041  2.8518  41.037  2.8797  1.004467       4.052833 
1 1 1 -9  21  17 o 48.101  2.0543  315.863   26.329    330.467   37.646    301.879   36.838    49.204  2.8689  46.998  2.9412  2.206299       4.108637 
1 1 1 -9  21  18 o 25.834  2.2335  92.374    15.099    100.695   21.908    84.846    20.838    26.974  3.0880  24.694  3.2278  2.280092       4.467032 
1 1 1 -9  21  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  21  20 o 41.025  2.1388  232.703   23.317    226.524   33.326    238.630   32.636    40.457  3.0989  41.593  2.9486  -1.135216      4.277558 
1 1 1 -9  21  21 o 28.386  2.3083  113.049   17.231    113.782   24.406    112.322   24.330    28.481  3.2578  28.291  3.2711  0.1907845      4.616631 
1 1 1 -9  21  22 o 19.380  2.7540  56.160    13.799    37.178    19.661    74.587    19.371    15.819  4.4521  22.942  3.2428  -7.122776      5.507913 
1 1 1 -9  21  23 o 21.429  2.6729  67.434    14.565    87.178    20.915    48.843    20.295    24.783  3.2272  18.074  4.2616  6.709230       5.345709 
1 1 1 -9  21  24 o 13.406  2.9809  26.215    11.971    28.427    16.711    23.884    17.157    13.874  4.1641  12.938  4.2666  0.9364424      5.961803 
1 1 1 -9  21  25 o 30.990  2.4338  137.740   19.632    160.935   28.148    115.772   27.394    33.718  3.1533  28.263  3.7081  5.455141       4.867633 
1 1 1 -9  21  26 o 34.454  2.3732  170.287   21.434    147.270   30.191    193.676   30.434    31.923  3.5934  36.984  3.1009  -5.060547      4.746330 
1 1 1 -9  21  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  21  28 o 13.652  2.8895  26.897    12.881    7.7912    18.316    45.593    18.119    10.081  4.1675  17.222  4.0037  -7.141561      5.779087 
1 1 1 -9  22  1  o 32.432  2.0246  142.620   17.376    133.326   24.527    151.985   24.620    31.350  2.9558  33.514  2.7674  -2.163996      4.049131 
1 1 1 -9  22  2  o 158.025 3.3307  3382.25   140.947   3290.69   198.660   3475.06   200.004   155.854 4.7589  160.197 4.6612  -4.343918      6.661335 
1 1 1 -9  22  3  o 104.143 2.4755  1462.46   69.052    1462.22   97.346    1462.71   97.965    104.137 3.4900  104.149 3.5118  -0.1286316E-01 4.951008 
1 1 1 -9  22  4  o 43.991  1.9300  261.373   22.598    244.259   31.710    279.035   32.212    42.513  2.8004  45.470  2.6565  -2.957150      3.859933 
1 1 1 -9  22  5  o 89.033  3.2765  1069.46   78.137    0.0000    0.0000    1069.46   78.137    ?       ?       89.033  3.2765  ?              ?        
1 1 1 -9  22  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  22  7  o 83.349  2.2798  938.888   50.890    925.308   72.046    952.410   71.894    82.741  3.2509  83.957  3.1970  -1.215576      4.559532 
1 1 1 -9  22  8  o 27.891  2.1053  106.551   15.363    121.235   21.876    92.262    21.581    29.851  2.7675  25.932  3.1732  3.918631       4.210529 
1 1 1 -9  22  9  o 49.930  2.0211  338.205   26.886    321.514   38.102    354.757   37.944    48.682  2.9358  51.178  2.7784  -2.496479      4.042136 
1 1 1 -9  22  10 o 78.760  2.2613  841.063   47.701    837.426   67.778    844.632   67.145    78.584  3.2201  78.935  3.1758  -0.3507462     4.522673 
1 1 1 -9  22  11 o 65.542  2.1249  582.166   37.302    582.571   52.965    581.768   52.544    65.562  3.0161  65.523  2.9940  0.3952026E-01  4.249774 
1 1 1 -9  22  12 o 39.803  2.0335  215.697   21.528    222.102   30.673    209.479   30.223    40.393  2.8534  39.213  2.8981  1.180523       4.067043 
1 1 1 -9  22  13 o 9.5105  2.4808  6.8657    9.1826    -3.9739   12.897    18.010    13.077    7.4262  3.2854  11.595  3.7180  -4.168706      4.961589 
1 1 1 -9  22  14 o 12.552  2.7426  21.049    10.458    28.887    14.997    13.627    14.592    14.266  3.8400  10.837  3.9170  3.428234       5.485228 
1 1 1 -9  22  15 o 39.032  2.0507  208.445   21.270    217.875   30.131    199.077   30.030    39.935  2.8353  38.130  2.9636  1.805614       4.101463 
1 1 1 -9  22  16 o 13.287  2.7980  24.879    10.868    19.222    15.928    29.806    14.866    12.138  4.1129  14.437  3.7946  -2.299026      5.595974 
1 1 1 -9  22  17 o 21.842  3.4624  67.211    19.580    0.0000    0.0000    67.211    19.580    ?       ?       21.842  3.4624  ?              ?        
1 1 1 -9  22  18 o 22.970  2.6016  74.894    15.315    90.074    22.186    61.077    21.166    25.344  3.3505  20.596  3.9808  4.747656       5.203125 
1 1 1 -9  22  19 o 52.090  2.1754  375.616   30.183    396.187   42.811    355.285   42.560    53.556  2.9964  50.624  3.1544  2.931660       4.350739 
1 1 1 -9  22  20 o 16.037  2.8200  37.394    12.957    58.032    18.569    17.808    18.089    20.091  3.5819  11.983  4.3565  8.108150       5.639963 
1 1 1 -9  22  21 o 52.183  2.1746  380.097   30.240    395.779   42.877    364.577   42.656    53.298  3.0159  51.069  3.1336  2.229000       4.349152 
1 1 1 -9  22  22 o 15.218  2.7686  33.979    12.591    12.852    17.865    54.836    17.750    11.001  4.2578  19.435  3.5401  -8.433697      5.537209 
1 1 1 -9  22  23 o 40.422  2.2216  230.485   23.854    223.147   33.705    237.848   33.763    39.741  3.1934  41.104  3.0893  -1.362629      4.443145 
1 1 1 -9  22  24 o 27.774  2.4730  111.123   17.972    116.059   25.448    106.211   25.385    28.445  3.4079  27.104  3.5847  1.341743       4.946088 
1 1 1 -9  22  25 o 16.148  2.7100  35.594    14.362    76.312    20.904    -0.8049   19.764    22.885  3.5234  9.4108  4.1185  13.47383       5.419991 
1 1 1 -9  22  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  22  27 o 19.452  3.0614  59.360    15.541    58.715    22.004    60.002    21.953    19.328  4.3548  19.577  4.3039  -0.2486610     6.122742 
1 1 1 -9  23  1  o 93.328  2.3483  1174.90   58.696    1175.88   82.455    1173.89   83.575    93.372  3.2969  93.283  3.3449  0.8885193E-01  4.696594 
1 1 1 -9  23  2  o 61.895  2.0206  515.981   33.496    509.050   47.065    523.095   47.682    61.474  2.8584  62.317  2.8567  -0.8425026     4.041183 
1 1 1 -9  23  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  23  4  o 118.124 3.3085  1909.98   99.144    1923.06   122.342   1884.95   169.218   119.075 3.8359  117.173 5.3918  1.902184       6.617044 
1 1 1 -9  23  5  o 133.809 2.9939  2439.00   107.301   2433.29   151.649   2444.72   151.846   133.651 4.2362  133.967 4.2317  -0.3159637     5.987724 
1 1 1 -9  23  6  o 45.253  1.9952  277.843   24.033    292.583   33.942    263.023   34.034    46.478  2.7385  44.028  2.9023  2.449951       3.990338 
1 1 1 -9  23  7  o 66.410  2.1186  596.791   37.678    612.080   53.457    581.696   53.114    67.262  2.9672  65.558  3.0248  1.703682       4.237187 
1 1 1 -9  23  8  o 48.248  2.0274  316.059   26.077    323.130   37.005    309.083   36.754    48.791  2.8439  47.704  2.8901  1.086262       4.054714 
1 1 1 -9  23  9  o 28.684  2.1027  112.894   15.866    122.217   22.402    103.510   22.474    29.917  2.8292  27.452  3.1114  2.465466       4.205341 
1 1 1 -9  23  10 o 37.333  2.0122  189.870   19.966    194.840   28.454    185.049   28.023    37.820  2.8294  36.845  2.8619  0.9749527      4.024431 
1 1 1 -9  23  11 o 47.749  2.0540  310.590   26.132    299.658   36.959    321.519   36.954    46.891  2.9578  48.607  2.8509  -1.715725      4.108072 
1 1 1 -9  23  12 o 9.7514  2.5726  8.6987    9.4615    16.224    13.315    1.0227    13.448    11.195  3.7605  8.3074  3.5116  2.888021       5.145177 
1 1 1 -9  23  13 o 24.673  2.3874  85.229    15.094    103.218   21.587    68.020    21.113    27.376  2.9927  21.970  3.7206  5.405836       4.774871 
1 1 1 -9  23  14 o 33.544  2.1199  154.872   18.817    146.689   26.710    162.935   26.515    32.629  3.0932  34.459  2.8997  -1.829937      4.239812 
1 1 1 -9  23  15 o 18.522  2.7157  49.206    13.035    43.923    18.309    54.636    18.562    17.451  4.0022  19.593  3.6718  -2.142504      5.431379 
1 1 1 -9  23  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  23  17 f 28.660  2.3888  115.917   17.782    99.155    25.226    132.472   25.070    26.454  3.6580  30.867  3.0731  -4.413513      4.777519 
1 1 1 -9  23  18 o 25.607  2.4822  92.994    16.539    100.689   23.698    85.686    23.094    26.703  3.3897  24.511  3.6271  2.191593       4.964484 
1 1 1 -9  23  19 o 10.712  2.8351  13.115    10.994    11.040    16.147    14.909    15.011    10.447  4.0466  10.976  3.9718  -0.5282965     5.670115 
1 1 1 -9  23  20 o 32.617  2.3088  150.490   19.853    161.709   28.205    139.473   27.948    33.895  3.1425  31.339  3.3832  2.556160       4.617502 
1 1 1 -9  23  21 o 13.252  3.0048  25.336    12.086    27.980    17.552    22.952    16.666    13.793  4.2927  12.710  4.2057  1.083319       6.009616 
1 1 1 -9  23  22 o 50.517  2.2363  360.649   29.907    409.574   42.660    313.364   41.938    54.064  2.9571  46.971  3.3556  7.093307       4.472629 
1 1 1 -9  23  23 o 14.341  3.1486  30.759    13.385    33.970    19.269    27.767    18.606    14.967  4.4669  13.716  4.4386  1.251118       6.297176 
1 1 1 -9  23  24 f 17.385  4.3181  46.472    20.017    0.0000    0.0000    46.472    20.017    ?       ?       17.385  4.3181  ?              ?        
1 1 1 -9  23  25 o 26.766  2.6817  106.714   18.648    100.267   26.410    113.126   26.336    25.846  3.9395  27.686  3.6396  -1.839781      5.363425 
1 1 1 -9  24  1  f 49.511  2.3828  339.803   29.652    355.073   36.896    311.956   49.826    51.251  2.6973  47.772  3.9288  3.478428       4.765568 
1 1 1 -9  24  2  o 95.369  2.3845  1231.81   60.906    1231.21   85.680    1232.42   86.596    95.351  3.3548  95.387  3.3894  -0.3591919E-01 4.768910 
1 1 1 -9  24  3  o 78.700  2.1952  837.996   46.271    823.586   65.107    852.701   65.772    78.013  3.1158  79.386  3.0932  -1.372887      4.390431 
1 1 1 -9  24  4  o 16.557  2.5945  38.740    11.239    32.409    15.754    45.300    16.038    15.139  3.8702  17.975  3.4566  -2.836235      5.189088 
1 1 1 -9  24  5  o 32.225  2.0248  141.563   17.294    139.868   24.322    143.296   24.594    32.028  2.8655  32.422  2.8614  -0.3936615     4.049547 
1 1 1 -9  24  6  o 61.712  2.0703  515.935   34.219    518.129   48.240    513.713   48.547    61.847  2.9120  61.576  2.9435  0.2716522      4.140558 
1 1 1 -9  24  7  o 29.520  2.1024  119.384   16.372    126.940   23.259    111.962   23.050    30.475  2.8837  28.566  3.0602  1.908861       4.204824 
1 1 1 -9  24  8  o 59.803  2.1156  486.515   33.780    513.750   47.760    459.252   47.785    61.544  2.8973  58.062  3.0837  3.482353       4.231215 
1 1 1 -9  24  9  o 71.241  2.1888  690.352   41.765    690.398   58.980    690.305   59.151    71.245  3.0907  71.237  3.1000  0.8125305E-02  4.377500 
1 1 1 -9  24  10 f 38.513  2.0787  202.896   21.259    192.570   30.015    213.291   30.114    37.504  3.0134  39.522  2.8642  -2.018234      4.157413 
1 1 1 -9  24  11 o 46.848  2.0663  299.941   25.795    294.292   36.517    305.567   36.443    46.397  2.9538  47.300  2.8904  -0.9039040     4.132695 
1 1 1 -9  24  12 o 45.512  2.0827  283.659   25.250    288.558   35.872    278.849   35.548    45.907  2.9326  45.116  2.9580  0.7906075      4.165371 
1 1 1 -9  24  13 o 7.6293  2.3521  -2.7494   9.1814    1.9000    12.922    -7.4891   13.047    8.2583  3.4640  7.0002  3.1828  1.258105       4.704149 
1 1 1 -9  24  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  24  15 o 31.054  2.2808  134.356   18.648    146.590   26.838    122.937   25.929    32.470  3.1245  29.638  3.3234  2.831669       4.561518 
1 1 1 -9  24  16 o 24.931  2.4051  87.859    15.636    90.646    22.443    85.230    21.797    25.324  3.3941  24.538  3.4085  0.7856140      4.810169 
1 1 1 -9  24  17 o 40.215  2.2045  225.702   23.501    246.846   33.786    205.882   32.712    42.100  3.0161  38.330  3.2160  3.770763       4.409048 
1 1 1 -9  24  18 o 39.375  2.1958  217.482   22.961    213.314   32.678    221.547   32.270    38.970  3.1578  39.780  3.0519  -0.8094063     4.391526 
1 1 1 -9  24  19 o 32.204  2.3369  147.227   19.843    156.447   28.266    138.268   27.862    33.256  3.2133  31.153  3.3941  2.103344       4.673862 
1 1 1 -9  24  20 o 15.512  2.8660  35.903    12.807    19.407    18.071    52.551    18.154    12.125  4.3621  18.899  3.7187  -6.773857      5.732094 
1 1 1 -9  24  21 o 10.934  2.9575  13.538    12.094    14.663    16.603    12.266    17.652    11.057  4.1460  10.810  4.2187  0.2473917      5.914993 
1 1 1 -9  24  22 o 29.004  2.5632  122.286   19.448    130.428   27.838    114.523   27.182    30.015  3.5302  27.993  3.7172  2.021927       5.126371 
1 1 1 -9  24  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  24  24 o 30.197  2.5863  135.318   20.489    138.381   29.128    132.318   28.826    30.560  3.6294  29.834  3.6856  0.7263012      5.172685 
1 1 1 -9  25  1  o 22.909  2.2936  73.482    13.351    91.032    18.941    56.152    18.822    25.803  2.7848  20.016  3.6451  5.787090       4.587116 
1 1 1 -9  25  2  o 71.759  2.1330  697.852   40.993    698.964   57.606    696.711   58.347    71.823  2.9944  71.695  3.0384  0.1281357      4.265961 
1 1 1 -9  25  3  o 83.600  2.2905  949.485   51.285    931.613   72.154    967.732   72.908    82.800  3.2535  84.400  3.2251  -1.600426      4.581072 
1 1 1 -9  25  4  o 40.793  2.0087  226.687   21.768    210.121   30.647    243.553   30.923    39.258  2.9358  42.328  2.7423  -3.069229      4.017313 
1 1 1 -9  25  5  o 68.707  2.1485  641.206   39.529    657.658   55.965    624.826   55.841    69.597  3.0021  67.816  3.0742  1.781960       4.296947 
1 1 1 -9  25  6  o 15.882  2.5357  36.116    10.861    20.789    15.231    51.972    15.491    12.444  4.0148  19.319  3.0985  -6.875208      5.071429 
1 1 1 -9  25  7  o 20.510  2.4732  59.400    12.962    46.907    18.151    72.399    18.516    18.158  3.8514  22.863  3.1038  -4.705124      4.946420 
1 1 1 -9  25  8  o 31.517  2.1199  136.533   17.646    127.461   24.919    145.658   24.992    30.430  3.1006  32.604  2.8919  -2.173929      4.239880 
1 1 1 -9  25  9  o 34.135  2.1352  160.205   19.302    167.318   27.251    153.043   27.343    34.924  2.9405  33.347  3.0966  1.576809       4.270304 
1 1 1 -9  25  10 o 12.362  2.6719  19.825    10.557    6.9205    14.942    32.687    14.918    9.6231  3.8422  15.101  3.7140  -5.477764      5.343809 
1 1 1 -9  25  11 o 10.234  2.4302  5.5480    9.9575    28.037    14.510    -14.4685  13.689    13.986  3.7823  6.4812  3.0525  7.505249       4.860432 
1 1 1 -9  25  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  25  13 o 11.845  2.8783  18.148    11.207    22.971    15.688    13.122    16.016    12.818  4.0682  10.872  4.0729  1.946146       5.756648 
1 1 1 -9  25  14 o 10.957  2.8223  13.116    11.209    21.817    15.940    4.6059    15.764    12.553  4.1111  9.3608  3.8678  3.192257       5.644574 
1 1 1 -9  25  15 o 11.734  2.9573  17.488    11.782    20.731    16.735    14.302    16.589    12.358  4.2156  11.111  4.1486  1.246727       5.914598 
1 1 1 -9  25  16 o 27.960  2.3309  110.839   17.120    111.726   24.201    109.950   24.222    28.081  3.2793  27.839  3.3135  0.2423153      4.661861 
1 1 1 -9  25  17 o 10.273  2.7658  9.3738    11.091    -0.0330   15.266    19.890    16.141    8.4946  3.6693  12.051  4.1396  -3.556707      5.531676 
1 1 1 -9  25  18 o 37.741  2.2933  201.645   22.928    215.456   32.936    188.661   31.936    39.043  3.1771  36.440  3.3081  2.602791       4.586623 
1 1 1 -9  25  19 o 20.361  2.8324  61.638    14.892    66.152    21.411    57.409    20.726    21.137  3.9264  19.585  4.0832  1.552189       5.664720 
1 1 1 -9  25  20 f 22.243  2.8366  73.723    16.273    76.489    23.010    70.956    23.017    22.717  3.9235  21.769  4.0978  0.9475174      5.673251 
1 1 1 -9  25  21 o 30.669  3.6173  137.268   29.143    0.0000    0.0000    137.268   29.143    ?       ?       30.669  3.6173  ?              ?        
1 1 1 -9  25  22 o 9.9306  2.7086  4.6690    11.988    -15.9821  17.355    23.512    16.578    7.2656  3.4265  12.596  4.1959  -5.329973      5.417219 
1 1 1 -9  26  1  o 77.763  2.2128  821.940   46.085    814.281   64.637    829.860   65.725    77.399  3.1179  78.127  3.1408  -0.7284088     4.425591 
1 1 1 -9  26  2  o 47.470  2.0048  306.636   25.366    296.397   35.617    317.174   36.135    46.655  2.8640  48.284  2.8062  -1.628799      4.009662 
1 1 1 -9  26  3  o 87.320  2.3598  1040.24   55.185    1048.88   77.680    1031.43   78.412    87.700  3.3069  86.939  3.3673  0.7614594      4.719539 
1 1 1 -9  26  4  o 47.762  2.0325  311.032   25.877    303.726   36.504    318.412   36.689    47.189  2.9022  48.336  2.8464  -1.147617      4.065031 
1 1 1 -9  26  5  o 26.742  2.1599  98.556    15.186    94.826    21.150    102.525   21.817    26.210  3.0709  27.274  3.0381  -1.064390      4.319770 
1 1 1 -9  26  6  o 47.318  2.0591  306.082   25.966    302.793   36.878    309.315   36.568    47.056  2.9407  47.581  2.8829  -0.5249367     4.118120 
1 1 1 -9  26  7  o 22.837  2.5269  75.787    14.263    103.912   20.177    47.702    20.164    27.493  2.7782  18.181  4.2217  9.312214       5.053763 
1 1 1 -9  26  8  o 31.098  2.2106  134.719   17.807    106.552   24.953    163.947   25.418    27.626  3.4473  34.571  2.7682  -6.945698      4.421165 
1 1 1 -9  26  9  o 27.008  2.4219  103.806   16.628    127.408   23.343    79.494    23.691    30.383  2.9037  23.633  3.8770  6.749853       4.843845 
1 1 1 -9  26  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  26  11 o 26.428  2.4301  98.931    16.611    84.322    23.457    113.626   23.525    24.323  3.7186  28.534  3.1295  -4.210302      4.860211 
1 1 1 -9  26  12 o 32.209  2.2294  145.032   18.971    138.338   26.732    151.823   26.927    31.425  3.2214  32.994  3.0827  -1.568497      4.458786 
1 1 1 -9  26  13 o 20.812  2.7326  63.079    14.656    57.459    20.627    68.810    20.829    19.786  4.0290  21.838  3.6925  -2.051859      5.465125 
1 1 1 -9  26  14 o 22.601  2.6852  74.247    15.679    73.794    22.095    74.707    22.252    22.531  3.7962  22.672  3.7988  -0.1408138     5.370465 
1 1 1 -9  26  15 o 10.203  2.5021  6.6059    10.532    27.425    14.695    -15.3777  15.101    13.637  3.8529  6.7679  3.1931  6.869174       5.004118 
1 1 1 -9  26  16 f 36.510  2.3121  189.188   22.351    198.418   31.775    180.148   31.446    37.441  3.1993  35.580  3.3388  1.861008       4.624132 
1 1 1 -9  26  17 f 26.514  2.6384  102.375   18.145    113.230   25.978    92.035    25.355    28.009  3.5420  25.020  3.9115  2.988796       5.276878 
1 1 1 -9  26  18 f 7.5324  2.4029  -10.5190  10.910    2.8547    15.380    -24.0653  15.479    8.8789  3.7545  6.1859  3.0000  2.692977       4.805843 
1 1 1 -9  26  19 o 13.859  3.0737  27.610    13.754    42.999    19.378    11.984    19.526    16.722  4.3017  10.995  4.3914  5.726884       6.147335 
1 1 1 -9  26  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  26  21 o 18.518  3.2365  55.203    16.113    45.474    22.823    64.872    22.752    16.696  4.8291  20.340  4.3103  -3.643583      6.472919 
1 1 1 -9  27  1  o 20.812  2.4031  60.525    12.726    45.345    17.371    78.113    18.698    17.851  3.7522  23.773  3.0035  -5.922075      4.806200 
1 1 1 -9  27  2  o 20.815  2.5813  63.009    13.523    84.095    18.988    41.307    19.263    24.688  2.9285  16.942  4.2517  7.745956       5.162676 
1 1 1 -9  27  3  o 39.077  2.0425  209.221   21.161    189.615   29.665    229.533   30.195    37.167  3.0056  40.987  2.7666  -3.819786      4.085032 
1 1 1 -9  27  4  o 44.331  2.0329  269.038   23.997    258.036   33.742    280.297   34.134    43.396  2.9199  45.267  2.8294  -1.871391      4.065899 
1 1 1 -9  27  5  o 49.050  2.0780  329.927   27.173    332.763   38.339    327.064   38.519    49.270  2.9181  48.829  2.9591  0.4409752      4.155907 
1 1 1 -9  27  6  o 17.863  2.7257  45.886    12.667    41.384    17.678    50.637    18.160    16.918  3.9694  18.808  3.7365  -1.889809      5.451425 
1 1 1 -9  27  7  o 20.845  2.6300  62.323    14.099    55.915    20.179    68.435    19.707    19.689  3.9636  22.002  3.4581  -2.313299      5.260091 
1 1 1 -9  27  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  27  9  o 46.357  2.1315  297.651   26.318    290.852   37.073    304.558   37.368    45.809  3.0387  46.905  2.9899  -1.096092      4.263043 
1 1 1 -9  27  10 o 15.469  2.9586  35.270    12.665    41.157    17.878    29.339    17.944    16.723  4.0371  14.216  4.3259  2.506912       5.917113 
1 1 1 -9  27  11 o 27.220  2.4213  105.367   17.248    103.157   24.677    107.479   24.118    26.899  3.5086  27.541  3.3377  -0.6420212     4.842580 
1 1 1 -9  27  12 o 12.628  2.8170  20.451    12.077    37.361    16.957    3.0425    17.205    15.855  3.9948  9.4003  3.9727  6.454645       5.633910 
1 1 1 -9  27  13 o 26.098  2.4869  97.973    16.937    98.450    23.769    97.481    24.142    26.184  3.4750  26.012  3.5584  0.1720905      4.973703 
1 1 1 -9  27  14 o 41.432  2.3047  243.657   25.318    227.923   35.869    259.277   35.740    40.006  3.3790  42.858  3.1351  -2.852386      4.609440 
1 1 1 -9  27  15 o 34.828  2.3701  173.261   21.829    171.867   31.175    174.602   30.575    34.657  3.4023  34.998  3.3006  -0.3414612     4.740175 
1 1 1 -9  27  16 o 9.9309  2.7891  5.8248    11.972    18.685    16.878    -7.1949   16.983    11.811  4.2192  8.0509  3.6491  3.760057       5.578300 
1 1 1 -9  27  17 o 15.120  3.2040  34.701    14.673    21.350    20.839    47.827    20.663    12.634  4.6630  17.606  4.3953  -4.972447      6.407970 
1 1 1 -9  27  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  27  19 o 18.797  3.2239  56.362    16.073    53.972    22.845    58.706    22.618    18.338  4.6456  19.256  4.4712  -0.9174404     6.447707 
1 1 1 -9  28  1  o 30.304  2.1153  126.874   16.908    135.162   23.863    118.517   23.961    31.342  2.8745  29.266  3.1040  2.075912       4.230588 
1 1 1 -9  28  2  o 37.486  2.0735  193.297   20.647    187.695   29.070    199.001   29.331    36.924  2.9643  38.048  2.9000  -1.123978      4.146967 
1 1 1 -9  28  3  o 16.832  2.8161  41.103    12.507    43.660    17.444    38.398    17.941    17.400  3.8452  16.263  4.1152  1.136806       5.632105 
1 1 1 -9  28  4  o 61.398  2.1428  518.058   35.237    511.006   49.698    525.185   49.968    60.971  3.0432  61.825  3.0175  -0.8534889     4.285576 
1 1 1 -9  28  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  28  6  o 36.054  2.2053  180.940   21.064    171.069   29.641    191.010   29.940    35.021  3.1951  37.088  3.0406  -2.066948      4.410663 
1 1 1 -9  28  7  o 17.281  2.8468  44.427    13.246    59.247    18.629    29.272    18.838    20.318  3.5524  14.244  4.4495  6.073876       5.693651 
1 1 1 -9  28  8  o 41.771  2.1745  243.540   24.153    248.540   34.113    238.514   34.201    42.224  3.0366  41.318  3.1132  0.9056702      4.348920 
1 1 1 -9  28  9  o 23.990  2.5741  83.070    15.983    88.640    22.515    77.412    22.692    24.891  3.4716  23.090  3.8015  1.800863       5.148190 
1 1 1 -9  28  10 o 10.926  2.8360  14.575    10.926    16.949    15.315    12.115    15.592    11.368  4.0236  10.484  3.9979  0.8846903      5.672076 
1 1 1 -9  28  11 o 9.2741  2.6941  4.3262    10.978    -2.0683   15.239    11.224    15.828    8.2052  3.6030  10.343  4.0064  -2.137865      5.388161 
1 1 1 -9  28  12 o 28.268  2.4948  115.322   18.408    126.075   26.203    104.846   25.865    29.679  3.3551  26.857  3.6932  2.822176       4.989601 
1 1 1 -9  28  13 o 33.374  2.3623  159.495   20.739    143.706   29.185    175.599   29.475    31.582  3.5094  35.166  3.1631  -3.583532      4.724503 
1 1 1 -9  28  14 o 31.130  2.4890  140.111   20.360    146.960   28.741    133.211   28.847    31.971  3.4089  30.290  3.6278  1.681204       4.978062 
1 1 1 -9  28  15 o 8.7854  2.6233  -4.8772   12.002    14.377    16.921    -24.3718  17.026    10.980  4.1702  6.5904  3.1837  4.389924       5.246583 
1 1 1 -9  28  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  28  17 o 10.958  3.0509  13.576    13.169    12.061    18.709    15.064    18.539    10.735  4.2947  11.180  4.3344  -0.4448700     6.101752 
1 1 1 -9  29  1  o 11.318  2.8157  15.818    10.683    11.710    14.699    20.418    15.554    10.375  3.8990  12.260  4.0633  -1.885628      5.631408 
1 1 1 -9  29  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  29  3  o 39.603  3.0334  217.841   31.932    217.841   31.932    0.0000    0.0000    39.603  3.0334  ?       ?       ?              ?        
1 1 1 -9  29  4  o 11.794  2.9121  18.103    11.267    16.803    15.126    19.722    16.888    11.397  4.0020  12.191  4.2316  -0.7938080     5.824300 
1 1 1 -9  29  5  o 28.106  2.2678  111.338   16.766    112.256   23.728    110.423   23.693    28.228  3.1945  27.984  3.2197  0.2443581      4.535560 
1 1 1 -9  29  6  o 11.299  2.8324  15.289    11.273    24.437    15.903    6.0488    15.983    13.026  4.0914  9.5717  3.9179  3.454648       5.664737 
1 1 1 -9  29  7  o 26.044  2.5428  98.439    16.878    76.816    23.680    120.766   24.062    22.850  4.0155  29.238  3.1207  -6.387421      5.085599 
1 1 1 -9  29  8  o 18.685  2.9415  52.694    14.454    64.876    20.492    40.634    20.389    21.029  3.7769  16.341  4.5106  4.688248       5.883076 
1 1 1 -9  29  9  o 21.016  2.8721  66.345    15.530    78.634    21.889    53.889    22.037    23.235  3.6365  18.797  4.4465  4.437452       5.744205 
1 1 1 -9  29  10 o 13.334  3.0564  25.741    12.679    19.376    17.824    32.260    18.040    12.050  4.3325  14.618  4.3123  -2.567788      6.112843 
1 1 1 -9  29  11 o 14.404  2.8237  29.025    13.542    54.364    18.862    2.0711    19.454    19.123  3.8162  9.6860  4.1628  9.436844       5.647381 
1 1 1 -9  29  12 o 17.589  2.7891  47.928    14.683    83.414    20.581    11.147    20.954    24.052  3.2802  11.127  4.5118  12.92556       5.578201 
1 1 1 -9  29  13 o 30.851  2.5607  139.528   20.337    111.332   28.393    169.233   29.143    27.332  3.9965  34.370  3.2025  -7.037851      5.121322 
1 1 1 -9  29  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  29  15 o 14.706  3.1434  33.034    14.334    17.728    20.003    49.189    20.550    11.769  4.5187  17.643  4.3710  -5.874160      6.286796 
1 1 1 -9  30  1  o 28.575  2.3042  115.489   17.201    101.830   24.250    129.322   24.404    26.759  3.4648  30.392  3.0386  -3.632931      4.608467 
1 1 1 -9  30  2  o 18.689  2.8085  51.438    13.631    46.679    19.054    56.428    19.510    17.739  4.0933  19.639  3.8465  -1.899714      5.616942 
1 1 1 -9  30  3  o 49.181  2.1489  338.358   28.165    337.625   39.500    339.117   40.172    49.143  3.0155  49.219  3.0624  -0.7674026E-01 4.297814 
1 1 1 -9  30  4  o 17.361  2.8474  46.029    13.566    65.636    18.972    25.518    19.405    21.325  3.4385  13.398  4.5396  7.926958       5.694871 
1 1 1 -9  30  5  o 13.096  2.8088  23.025    11.993    40.516    17.159    6.3216    16.769    16.464  3.9432  9.7279  4.0010  6.736126       5.617530 
1 1 1 -9  30  6  o 18.048  2.8927  48.962    13.679    54.340    19.613    43.869    19.088    19.081  3.9670  17.014  4.2111  2.066334       5.785357 
1 1 1 -9  30  7  o 16.228  2.7107  38.482    13.763    72.249    19.591    5.5843    19.337    22.343  3.3793  10.113  4.2394  12.22989       5.421428 
1 1 1 -9  30  8  o 24.716  2.6435  89.913    16.879    97.158    23.640    82.376    24.109    25.881  3.4999  23.552  3.9626  2.329086       5.286939 
1 1 1 -9  30  9  o 10.707  2.9687  11.956    12.451    14.302    17.430    9.5117    17.793    11.063  4.2251  10.351  4.1715  0.7124634      5.937406 
1 1 1 -9  30  10 o 10.153  2.9097  8.2035    12.487    13.572    17.634    2.8045    17.684    10.946  4.2319  9.3610  3.9945  1.584959       5.819330 
1 1 1 -9  30  11 o 14.332  3.0714  30.932    13.612    44.265    19.066    17.072    19.439    16.941  4.2181  11.723  4.4656  5.217788       6.142745 
1 1 1 -9  30  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  30  13 o 18.779  3.1165  55.880    16.064    33.207    22.108    81.243    23.383    14.465  4.8457  23.094  3.9204  -8.629015      6.233011 
1 1 1 -9  31  1  o 11.854  2.9776  16.952    12.221    8.3281    16.348    27.878    18.400    9.9468  4.0020  13.761  4.4100  -3.814284      5.955181 
1 1 1 -9  31  2  o 37.675  2.2126  201.611   22.011    221.785   31.031    181.182   31.226    39.708  2.9385  35.642  3.3086  4.065838       4.425116 
1 1 1 -9  31  3  o 32.143  2.2989  147.800   19.473    155.239   27.238    140.022   27.851    33.061  3.1126  31.226  3.3841  1.835020       4.597889 
1 1 1 -9  31  4  o 33.269  2.3045  158.489   20.202    145.243   28.546    171.779   28.594    31.767  3.4082  34.771  3.1028  -3.004591      4.609004 
1 1 1 -9  31  5  o 8.9147  2.6529  1.9688    11.275    9.9980    14.866    -8.9048   17.300    9.8875  3.8680  7.9418  3.6317  1.945700       5.305772 
1 1 1 -9  31  6  o 8.9283  2.6560  3.5440    10.762    2.7415    14.626    4.4914    15.892    8.6523  3.6601  9.2043  3.8497  -0.5519876     5.311960 
1 1 1 -9  31  7  o 19.902  2.9645  60.404    15.301    63.499    21.396    57.165    21.892    20.520  4.0366  19.284  4.3427  1.235895       5.929062 
1 1 1 -9  31  8  o 14.201  2.7676  26.603    13.135    0.8503    18.038    55.669    19.164    9.1643  3.9735  19.237  3.8535  -10.07264      5.535219 
1 1 1 -9  31  9  o 27.656  2.7031  113.937   19.488    114.517   27.577    113.358   27.544    27.735  3.8131  27.578  3.8324  0.1562176      5.406235 
1 1 1 -9  31  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  31  11 o 14.889  3.0958  33.658    14.826    56.281    21.148    11.794    20.790    18.854  4.2849  10.923  4.4694  7.931095       6.191600 
1 1 1 -9  32  1  o 32.371  2.3351  150.681   19.950    144.824   28.137    156.602   28.289    31.691  3.3663  33.051  3.2371  -1.360695      4.670228 
1 1 1 -9  32  2  o 34.128  2.3217  167.370   20.958    168.022   29.437    166.700   29.844    34.218  3.2508  34.038  3.3156  0.1807976      4.643404 
1 1 1 -9  32  3  o 26.143  2.5205  99.989    17.187    100.389   24.134    99.578    24.482    26.220  3.5258  26.066  3.6028  0.1534100      5.041039 
1 1 1 -9  32  4  o 16.154  3.2050  40.457    14.566    33.107    20.148    48.504    21.083    14.660  4.6052  17.647  4.4586  -2.987545      6.409931 
1 1 1 -9  32  5  f 10.268  2.9511  8.7980    12.805    4.5343    17.925    13.241    18.299    9.5986  4.0557  10.938  4.2880  -1.339568      5.902154 
1 1 1 -9  32  6  o 21.649  3.0400  72.202    16.990    54.208    23.314    92.581    24.811    18.437  4.7053  24.861  3.8505  -6.423204      6.079969 
1 1 1 -9  32  7  o 16.502  4.7711  43.965    22.282    0.0000    0.0000    43.965    22.282    ?       ?       16.502  4.7711  ?              ?        
1 1 1 -9  32  8  o 12.544  4.4339  23.331    18.593    23.331    18.593    0.0000    0.0000    12.544  4.4339  ?       ?       ?              ?        
1 1 1 -9  32  9  o 16.849  3.2647  46.723    15.169    45.865    21.307    47.605    21.600    16.694  4.6122  17.004  4.6217  -0.3094196     6.529304 
1 1 1 -9  33  1  o 20.042  3.0846  62.422    16.048    63.858    21.827    60.732    23.677    20.436  4.1297  19.648  4.5830  0.7878418      6.169147 
1 1 1 -9  33  2  o 17.151  3.3186  47.466    15.748    51.845    20.825    41.617    24.066    18.227  4.3299  16.075  5.0305  2.151962       6.637285 
1 1 1 -9  33  3  o 20.651  3.0242  65.951    16.195    52.964    22.216    80.679    23.659    18.250  4.5583  23.051  3.9755  -4.800600      6.048335 
1 1 1 -9  33  4  f 33.237  2.4356  162.113   21.278    145.106   29.491    180.582   30.732    31.289  3.5835  35.185  3.2995  -3.895538      4.871101 
1 1 1 -9  33  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  33  6  o 13.922  3.3450  31.202    14.905    32.473    20.324    29.723    21.925    14.164  4.6424  13.679  4.8171  0.4851561      6.690022 
1 1 1 -9  34  1  o 15.514  4.0209  40.718    20.826    17.648    49.920    45.579    22.915    14.414  6.4158  16.615  4.8485  -2.201395      8.041763 
1 1 1 -9  34  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -9  34  3  o 24.267  2.9841  93.860    18.548    101.882   25.431    84.742    27.111    25.749  3.8016  22.785  4.6007  2.963755       5.968180 
1 1 1 -8  -34 12 o 42.460  2.4083  261.650   27.097    284.746   39.012    240.119   37.667    44.371  3.3062  40.548  3.5025  3.823017       4.816513 
1 1 1 -8  -34 13 o 42.100  2.4532  257.766   27.389    273.404   39.351    243.071   38.146    43.397  3.4129  40.803  3.5249  2.594116       4.906427 
1 1 1 -8  -34 14 o 49.767  2.3671  357.654   31.353    373.638   44.872    342.406   43.826    50.898  3.3095  48.637  3.3853  2.260880       4.734208 
1 1 1 -8  -34 15 o 46.233  2.4112  309.731   29.628    309.445   42.648    309.998   41.192    46.144  3.4762  46.321  3.3424  -0.1776199     4.822408 
1 1 1 -8  -34 16 o 25.784  3.2382  102.509   21.437    122.022   31.644    85.960    29.143    28.276  4.3149  23.293  4.8297  4.982941       6.476442 
1 1 1 -8  -34 17 o 49.238  2.5032  354.148   32.468    409.543   46.309    300.594   45.533    53.354  3.2561  45.122  3.8029  8.232540       5.006423 
1 1 1 -8  -34 18 o 15.145  3.5475  34.263    16.775    48.147    26.324    24.769    21.767    17.145  5.2442  13.146  4.7790  3.998859       7.095080 
1 1 1 -8  -34 19 o 35.649  2.7729  189.182   25.347    240.108   37.010    144.193   34.785    40.614  3.4343  30.685  4.3545  9.928560       5.545859 
1 1 1 -8  -34 20 o 36.430  2.6696  196.366   25.614    213.703   37.274    180.854   35.258    38.022  3.7072  34.838  3.8423  3.183666       5.339180 
1 1 1 -8  -34 21 o 22.079  3.6007  80.025    20.788    76.101    31.221    83.150    27.861    21.280  5.4528  22.878  4.7039  -1.597610      7.201306 
1 1 1 -8  -34 22 o 23.925  3.3089  90.293    20.400    109.094   30.075    74.269    27.764    26.493  4.3920  21.357  4.9502  5.136902       6.617720 
1 1 1 -8  -34 23 o 16.344  3.6448  40.900    19.541    69.749    28.925    16.682    26.503    20.373  5.2633  12.314  5.0433  8.058747       7.289546 
1 1 1 -8  -34 24 o 16.862  3.7667  44.723    19.925    72.111    30.776    24.956    26.145    20.442  5.5001  13.282  5.1480  7.159398       7.533459 
1 1 1 -8  -33 6  o 13.205  3.0082  17.907    13.462    48.864    22.193    -0.1145   16.933    17.617  4.6391  8.7922  3.8308  8.824900       6.016390 
1 1 1 -8  -33 7  o 15.459  3.3598  34.984    15.547    51.648    24.102    23.108    20.347    18.055  4.8714  12.864  4.6285  5.190515       6.719682 
1 1 1 -8  -33 8  o 15.247  3.1676  35.321    13.536    37.538    21.832    33.936    17.253    15.561  4.7785  14.932  4.1593  0.6295500      6.335161 
1 1 1 -8  -33 9  o 14.395  2.9732  29.599    15.065    -3.5554   23.074    54.235    19.890    9.8145  4.3657  18.976  4.0374  -9.161445      5.946406 
1 1 1 -8  -33 10 o 18.725  3.3784  53.865    16.944    63.291    25.712    46.630    22.528    20.137  4.8293  17.313  4.7258  2.824446       6.756871 
1 1 1 -8  -33 11 o 19.389  3.1964  56.360    16.150    68.135    25.218    48.171    21.029    21.058  4.5997  17.720  4.4397  3.337667       6.392858 
1 1 1 -8  -33 12 o 12.947  3.3059  22.883    14.612    20.473    22.967    24.522    18.940    12.792  4.8584  13.101  4.4847  -0.3089094     6.611846 
1 1 1 -8  -33 13 o 10.811  4.5469  6.5096    22.362    6.5096    22.362    0.0000    0.0000    10.811  4.5469  ?       ?       ?              ?        
1 1 1 -8  -33 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -33 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -33 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -33 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -33 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -33 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -33 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -33 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -33 22 o 20.840  5.4327  70.764    30.635    70.764    30.635    0.0000    0.0000    20.840  5.4327  ?       ?       ?              ?        
1 1 1 -8  -33 23 o 11.756  3.4829  10.153    18.289    13.044    27.890    7.9728    24.224    12.313  5.1207  11.200  4.7225  1.113544       6.965876 
1 1 1 -8  -33 24 o 47.805  2.4986  331.814   31.766    332.461   44.825    331.161   45.023    47.865  3.5210  47.745  3.5459  0.1199951      4.997139 
1 1 1 -8  -33 25 o 15.033  3.3821  32.865    17.776    4.5582    25.995    57.724    24.361    11.048  4.7801  19.018  4.7860  -7.970661      6.764294 
1 1 1 -8  -33 26 o 16.271  3.7919  42.383    19.244    52.973    28.809    33.850    25.859    17.782  5.4940  14.760  5.2278  3.021692       7.583773 
1 1 1 -8  -33 27 o 10.288  3.2024  -1.3853   17.729    -16.3390  26.543    10.659    23.821    9.2772  4.3311  11.298  4.7184  -2.021208      6.404818 
1 1 1 -8  -33 28 o 19.895  3.7624  66.994    20.646    78.932    29.616    55.709    28.796    21.776  5.1571  18.013  5.4798  3.763691       7.524869 
1 1 1 -8  -33 29 o 23.753  3.5091  94.212    21.625    76.460    31.125    110.780   30.068    21.002  5.4763  26.504  4.3891  -5.501785      7.018109 
1 1 1 -8  -33 30 o 19.937  3.9091  70.284    21.593    77.212    31.692    64.282    29.500    20.842  5.5703  19.033  5.4860  1.808840       7.818223 
1 1 1 -8  -32 2  o 17.501  3.2773  46.078    15.594    61.305    24.430    35.607    20.259    19.811  4.6785  15.190  4.5907  4.621778       6.554614 
1 1 1 -8  -32 3  o 8.0038  2.5423  -9.2258   11.452    3.8298    17.910    -18.2565  14.896    9.5736  4.0500  6.4339  3.0743  3.139623       5.084693 
1 1 1 -8  -32 4  o 14.739  3.2304  31.642    14.100    41.699    21.699    24.291    18.551    16.440  4.6948  13.037  4.4385  3.403138       6.460752 
1 1 1 -8  -32 5  o 43.254  2.2862  264.855   26.284    274.701   37.791    255.629   36.580    44.041  3.2261  42.468  3.2403  1.573677       4.572459 
1 1 1 -8  -32 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -32 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -32 8  o 23.037  3.9358  77.336    20.984    97.791    44.404    71.455    23.811    24.159  6.6515  21.914  4.2096  2.244621       7.871640 
1 1 1 -8  -32 9  o 25.865  2.7815  96.583    17.870    140.599   26.908    61.852    23.902    31.509  3.2342  20.220  4.5263  11.28962       5.562991 
1 1 1 -8  -32 10 o 24.491  3.0003  91.572    18.465    66.466    27.067    113.426   25.254    20.790  4.9346  28.191  3.4140  -7.400990      6.000513 
1 1 1 -8  -32 11 o 21.255  3.1001  67.918    16.895    65.811    25.916    69.474    22.279    20.773  4.7598  21.736  3.9732  -0.9625816     6.200134 
1 1 1 -8  -32 12 f 20.681  3.1721  64.557    16.975    63.235    25.541    65.602    22.719    20.350  4.7690  21.011  4.1839  -0.6610813     6.344156 
1 1 1 -8  -32 13 o 19.117  3.2690  55.738    16.499    53.704    24.761    57.362    22.126    18.688  4.8903  19.546  4.3393  -0.8585300     6.537919 
1 1 1 -8  -32 14 o 18.378  3.3423  50.398    16.725    66.569    25.239    37.735    22.333    20.952  4.6214  15.803  4.8298  5.148765       6.684635 
1 1 1 -8  -32 15 o 15.681  3.3152  37.519    15.548    25.057    23.361    47.428    20.832    13.650  4.9526  17.712  4.4085  -4.061895      6.630441 
1 1 1 -8  -32 16 o 44.437  2.3369  279.263   27.610    272.896   38.987    285.670   39.106    43.901  3.3406  44.973  3.2687  -1.071861      4.673788 
1 1 1 -8  -32 17 o 13.684  3.4881  25.245    16.685    16.760    24.839    32.221    22.523    12.587  4.9763  14.781  4.8892  -2.194299      6.976239 
1 1 1 -8  -32 18 o 19.991  3.3825  61.582    17.841    59.016    26.378    63.745    24.221    19.486  5.0223  20.496  4.5324  -1.009651      6.765055 
1 1 1 -8  -32 19 o 40.447  2.4677  234.285   26.105    278.150   37.343    192.359   36.508    44.408  3.1601  36.487  3.7910  7.921581       4.935380 
1 1 1 -8  -32 20 o 43.130  2.4631  266.402   27.956    228.452   39.369    305.001   39.705    39.807  3.7361  46.454  3.2107  -6.647518      4.926160 
1 1 1 -8  -32 21 o 9.0968  2.9062  -8.5270   14.888    -1.6724   23.112    -13.3887  19.464    10.068  4.4287  8.1252  3.7644  1.943100       5.812438 
1 1 1 -8  -32 22 o 40.198  2.5194  232.044   26.821    220.755   37.757    243.542   38.106    39.145  3.6429  41.252  3.4813  -2.106796      5.038857 
1 1 1 -8  -32 23 o 49.867  2.3965  354.640   31.765    330.500   44.628    379.430   45.224    48.048  3.4915  51.686  3.2837  -3.637863      4.793089 
1 1 1 -8  -32 24 o 15.386  3.3916  31.009    17.738    62.008    26.138    4.5474    24.149    19.885  4.9316  10.887  4.6574  8.998388       6.783177 
1 1 1 -8  -32 25 o 22.618  3.4921  80.141    20.625    93.811    29.579    67.205    28.773    24.731  4.6357  20.506  5.2240  4.224789       6.984279 
1 1 1 -8  -32 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -32 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -32 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -32 29 o 12.781  3.2002  11.791    18.238    -36.7872  27.948    47.820    24.069    8.3667  4.0511  17.196  4.9550  -8.829132      6.400304 
1 1 1 -8  -32 30 o 40.998  2.6048  248.374   28.270    263.267   40.739    234.541   39.262    42.237  3.6365  39.759  3.7304  2.478275       5.209584 
1 1 1 -8  -32 31 o 12.277  3.5337  17.000    18.102    19.179    27.677    15.372    23.931    12.716  5.1747  11.837  4.8137  0.8790636      7.067471 
1 1 1 -8  -32 32 o 40.105  2.6956  242.839   28.132    294.344   40.808    196.194   38.835    44.590  3.4434  35.619  4.1482  8.971096       5.391150 
1 1 1 -8  -32 33 o 23.117  3.5435  94.166    21.691    61.614    31.916    122.107   29.570    18.280  5.8028  27.954  4.0686  -9.673950      7.086996 
1 1 1 -8  -31 1  o 22.688  4.6744  78.373    27.460    78.373    27.460    0.0000    0.0000    22.688  4.6744  ?       ?       ?              ?        
1 1 1 -8  -31 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -31 3  o 6.8686  2.3207  -22.7643  11.290    -9.3945   18.663    -30.4803  14.178    8.3224  3.7927  5.4147  2.6753  2.907699       4.641308 
1 1 1 -8  -31 4  o 8.2564  2.5787  -5.0659   11.681    -18.6325  18.454    4.0021    15.087    7.4673  3.5252  9.0456  3.7644  -1.578311      5.157302 
1 1 1 -8  -31 5  o 19.240  2.9311  53.764    14.666    69.999    22.269    41.329    19.489    21.872  3.9464  16.608  4.3348  5.263870       5.862110 
1 1 1 -8  -31 6  o 19.011  3.0706  56.077    15.512    38.204    23.291    70.324    20.795    15.963  4.9412  22.060  3.6467  -6.097726      6.141173 
1 1 1 -8  -31 7  o 15.710  3.1483  37.825    14.610    21.697    22.454    49.668    19.240    13.092  4.8387  18.328  4.0290  -5.236336      6.296510 
1 1 1 -8  -31 8  o 21.999  2.8390  71.911    15.891    63.671    24.023    78.322    21.190    20.619  4.4780  23.378  3.4910  -2.758854      5.678035 
1 1 1 -8  -31 9  o 11.505  3.0426  15.694    12.517    13.125    19.972    17.356    16.063    11.427  4.4797  11.583  4.1184  -0.1567898     6.085180 
1 1 1 -8  -31 10 o 24.533  2.8497  86.839    17.812    112.100   26.574    66.231    24.003    27.983  3.6311  21.084  4.3929  6.898720       5.699318 
1 1 1 -8  -31 11 o 43.804  2.2221  268.570   25.894    272.783   37.036    264.542   36.217    44.135  3.1537  43.473  3.1312  0.6613922      4.444162 
1 1 1 -8  -31 12 o 33.309  2.3613  156.450   20.763    163.668   30.177    149.963   28.611    34.036  3.3538  32.582  3.3250  1.453781       4.722692 
1 1 1 -8  -31 13 o 12.963  2.9577  14.185    13.711    46.801    21.808    -7.1369   17.632    17.621  4.5788  8.3047  3.7453  9.316395       5.915446 
1 1 1 -8  -31 14 o 33.951  2.4375  163.615   21.814    155.708   31.184    171.191   30.525    33.069  3.5777  34.833  3.3115  -1.764431      4.875031 
1 1 1 -8  -31 15 o 36.567  2.3146  188.403   22.305    212.407   31.980    165.665   31.125    38.947  3.0910  34.186  3.4462  4.761189       4.629292 
1 1 1 -8  -31 16 o 29.865  2.6453  128.350   20.625    122.744   29.850    133.471   28.530    29.133  3.9253  30.597  3.5471  -1.463415      5.290554 
1 1 1 -8  -31 17 o 42.022  2.3446  249.281   26.025    279.846   37.076    219.595   36.539    44.700  3.1162  39.344  3.5040  5.355625       4.689228 
1 1 1 -8  -31 18 o 31.615  2.5469  142.631   21.153    152.492   30.540    133.538   29.328    32.706  3.5428  30.524  3.6601  2.181911       5.093863 
1 1 1 -8  -31 19 o 59.894  2.2849  503.806   36.519    506.835   51.560    500.756   51.731    60.089  3.2152  59.699  3.2474  0.3899574      4.569821 
1 1 1 -8  -31 20 f 29.995  2.8097  130.674   21.678    157.810   31.404    105.975   29.961    33.220  3.5863  26.770  4.3261  6.449984       5.619311 
1 1 1 -8  -31 21 o 10.175  2.9850  4.0980    14.075    -10.2937  21.656    14.625    18.521    8.9615  4.0845  11.389  4.3539  -2.427143      5.969901 
1 1 1 -8  -31 22 o 36.003  2.4772  186.575   23.258    157.913   33.249    214.037   32.546    33.038  3.8282  38.967  3.1450  -5.928673      4.954407 
1 1 1 -8  -31 23 o 30.938  2.7941  139.665   22.291    166.702   32.125    114.559   30.957    34.088  3.5715  27.788  4.2979  6.300070       5.588151 
1 1 1 -8  -31 24 f 48.473  2.4046  334.378   30.929    304.525   43.401    365.182   44.087    46.149  3.5381  50.797  3.2574  -4.648346      4.809238 
1 1 1 -8  -31 25 o 35.316  2.6183  180.618   24.301    196.681   34.411    164.639   34.321    37.026  3.5118  33.606  3.8845  3.420208       5.236654 
1 1 1 -8  -31 26 o 34.026  2.6451  168.055   23.700    174.014   33.862    162.333   33.181    34.646  3.7065  33.406  3.7745  1.239689       5.290104 
1 1 1 -8  -31 27 o 17.714  3.6051  49.640    18.033    48.087    26.114    51.055    24.931    17.426  5.1999  18.002  4.9948  -0.5759163     7.210200 
1 1 1 -8  -31 28 o 36.142  2.6858  190.458   25.467    215.068   36.777    167.785   35.299    38.545  3.6040  33.738  3.9830  4.807266       5.371525 
1 1 1 -8  -31 29 o 17.146  3.6702  46.563    18.354    53.771    26.849    40.240    25.148    18.286  5.2225  16.007  5.1583  2.278671       7.340477 
1 1 1 -8  -31 30 o 18.327  5.2622  54.554    27.189    0.0000    0.0000    54.554    27.189    ?       ?       18.327  5.2622  ?              ?        
1 1 1 -8  -31 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -31 32 o 43.451  2.5765  278.202   29.662    267.611   42.432    288.325   41.482    42.505  3.7660  44.396  3.5172  -1.891342      5.153006 
1 1 1 -8  -31 33 o 15.814  3.6043  39.870    19.358    14.411    28.424    61.894    26.437    12.288  5.1448  19.340  5.0491  -7.052074      7.208520 
1 1 1 -8  -31 34 o 28.403  3.2603  128.526   23.388    167.275   34.075    94.010    32.160    33.148  3.9133  23.658  5.2156  9.490080       6.520515 
1 1 1 -8  -31 35 o 10.717  3.2290  4.0963    17.391    -14.7230  25.058    21.584    24.155    8.9464  4.1869  12.487  4.9167  -3.540864      6.457901 
1 1 1 -8  -30 1  o 15.672  2.9597  37.280    13.434    20.468    19.971    51.175    18.155    12.621  4.5791  18.723  3.7510  -6.101474      5.919357 
1 1 1 -8  -30 2  o 38.473  2.2132  206.790   22.577    221.736   32.841    193.398   31.089    39.809  3.1045  37.138  3.1553  2.671597       4.426495 
1 1 1 -8  -30 3  o 8.7788  2.6826  0.0113    11.403    -2.7516   18.112    1.8257    14.677    8.9191  3.9219  8.6384  3.6610  0.2807064      5.365146 
1 1 1 -8  -30 4  o 20.872  2.8436  63.143    15.273    76.434    22.718    52.182    20.631    22.979  3.8254  18.765  4.2083  4.214193       5.687197 
1 1 1 -8  -30 5  o 17.699  3.0798  45.665    14.603    59.285    22.024    34.980    19.507    20.028  4.2377  15.370  4.4701  4.657763       6.159537 
1 1 1 -8  -30 6  o 25.213  2.5978  91.122    16.917    90.456    25.290    91.661    22.758    25.028  3.8996  25.398  3.4333  -0.3702469     5.195654 
1 1 1 -8  -30 7  o 26.974  2.4695  103.519   17.351    100.530   25.402    106.133   23.755    26.523  3.6745  27.424  3.3002  -0.9017830     4.938908 
1 1 1 -8  -30 8  f 9.0835  2.7510  0.9531    11.576    2.2655    19.010    0.1798    14.593    9.7680  4.1542  8.3989  3.6075  1.369109       5.501945 
1 1 1 -8  -30 9  o 49.985  2.1529  346.861   28.680    357.224   40.942    336.877   40.187    50.730  3.0269  49.239  3.0622  1.490742       4.305732 
1 1 1 -8  -30 10 o 60.309  2.1594  503.961   34.735    546.613   49.604    462.924   48.656    62.922  2.9433  57.696  3.1605  5.225262       4.318720 
1 1 1 -8  -30 11 f 56.977  2.1633  450.360   32.886    442.758   46.697    457.840   46.321    56.474  3.0990  57.481  3.0192  -1.007637      4.326564 
1 1 1 -8  -30 12 o 32.708  2.3706  150.260   20.470    149.619   29.207    150.879   28.698    32.621  3.3923  32.795  3.3124  -0.1739960     4.741288 
1 1 1 -8  -30 13 o 33.758  2.3909  160.673   21.199    144.588   30.230    176.237   29.736    31.976  3.5917  35.540  3.1566  -3.564819      4.781707 
1 1 1 -8  -30 14 o 41.042  2.2311  235.217   24.135    270.350   34.426    201.260   33.845    44.190  2.9251  37.894  3.3697  6.295589       4.462167 
1 1 1 -8  -30 15 o 10.136  2.9456  3.6858    12.940    14.621    20.231    -3.8861   16.835    11.778  4.5386  8.4943  3.7560  3.283500       5.891202 
1 1 1 -8  -30 16 o 10.519  3.0026  6.6547    13.139    15.754    20.222    0.0069    17.284    11.952  4.5541  9.0851  3.9144  2.867050       6.005195 
1 1 1 -8  -30 17 o 30.766  2.5090  134.412   20.047    156.703   28.579    112.822   28.127    33.453  3.2297  28.079  3.8406  5.373941       5.018074 
1 1 1 -8  -30 18 o 18.150  3.2859  49.478    16.039    46.300    23.714    52.158    21.776    17.558  4.8713  18.742  4.4113  -1.184013      6.571853 
1 1 1 -8  -30 19 f 76.194  2.3101  808.367   47.142    813.124   66.428    803.539   66.911    76.440  3.2445  75.948  3.2892  0.4915161      4.620118 
1 1 1 -8  -30 20 o 17.112  3.4601  43.732    16.645    49.097    24.607    39.206    22.601    18.010  4.9486  16.213  4.8373  1.796864       6.920134 
1 1 1 -8  -30 21 o 48.763  2.2100  331.932   28.707    333.958   40.284    329.842   40.921    48.938  3.0891  48.589  3.1615  0.3491516      4.420098 
1 1 1 -8  -30 22 o 13.627  3.3720  23.573    15.822    36.931    22.905    11.382    21.882    15.751  4.9041  11.502  4.6293  4.249165       6.743944 
1 1 1 -8  -30 23 o 34.508  2.5234  169.562   22.986    169.137   32.385    169.993   32.631    34.470  3.5589  34.547  3.5783  -0.7688522E-01 5.046742 
1 1 1 -8  -30 24 o 11.597  3.0485  6.5907    15.393    -23.0744  22.244    33.851    21.324    8.1019  3.8384  15.092  4.7372  -6.989782      6.097081 
1 1 1 -8  -30 25 f 9.1611  2.8708  -3.8110   13.981    -2.5781   19.998    -4.9898   19.554    9.3420  4.1141  8.9801  4.0050  0.3618402      5.741611 
1 1 1 -8  -30 26 o 20.269  3.1804  61.858    18.525    108.215   27.118    21.295    25.367    27.278  3.8160  13.260  5.0891  14.01826       6.360889 
1 1 1 -8  -30 27 o 26.256  3.0688  103.006   20.789    101.252   30.170    104.592   28.686    25.937  4.5062  26.575  4.1670  -0.6377144     6.137603 
1 1 1 -8  -30 28 o 12.721  3.2284  17.755    15.880    -4.7769   23.172    37.705    21.805    9.7548  4.3545  15.687  4.7675  -5.932063      6.456832 
1 1 1 -8  -30 29 o 23.562  3.1579  83.954    19.165    91.698    28.223    77.328    26.107    24.600  4.4470  22.524  4.4849  2.075842       6.315847 
1 1 1 -8  -30 30 o 22.669  3.3832  78.675    19.943    103.065   29.902    59.135    26.764    26.066  4.4423  19.272  5.1039  6.793230       6.766358 
1 1 1 -8  -30 31 o 13.944  3.4064  25.261    17.509    0.8264    25.576    46.813    24.020    10.694  4.6824  17.195  4.9486  -6.500794      6.812716 
1 1 1 -8  -30 32 o 31.771  2.8029  150.899   23.060    134.573   33.483    165.629   31.804    29.827  4.3167  33.715  3.5765  -3.888222      5.605859 
1 1 1 -8  -30 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -30 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -30 35 o 25.794  3.2725  105.411   21.762    112.300   31.040    98.752    30.518    26.753  4.4908  24.835  4.7612  1.918646       6.544975 
1 1 1 -8  -30 36 o 16.918  3.6445  47.238    19.165    69.823    27.858    26.941    26.409    20.337  5.1181  13.498  5.1898  6.838408       7.288935 
1 1 1 -8  -30 37 o 13.262  3.6617  26.396    18.816    25.549    26.593    27.245    26.628    13.148  5.1646  13.376  5.1922  -0.2281294     7.323414 
1 1 1 -8  -29 1  o 37.731  2.1886  199.082   21.857    183.823   31.041    214.085   30.780    36.216  3.2340  39.245  2.9498  -3.028778      4.377199 
1 1 1 -8  -29 2  o 13.114  3.0236  24.260    12.303    19.530    18.681    27.883    16.348    12.364  4.4365  13.863  4.1092  -1.498343      6.047136 
1 1 1 -8  -29 3  o 54.961  2.1422  419.176   31.377    400.605   44.622    437.341   44.131    53.699  3.1158  56.223  2.9407  -2.524570      4.284358 
1 1 1 -8  -29 4  o 73.665  2.2490  751.855   44.366    747.896   63.239    755.693   62.259    73.448  3.2145  73.883  3.1461  -0.4348450     4.497901 
1 1 1 -8  -29 5  o 25.704  2.4560  93.063    16.432    102.388   24.027    84.870    22.521    26.954  3.4039  24.455  3.5414  2.499420       4.912052 
1 1 1 -8  -29 6  o 28.789  2.4770  118.449   18.299    96.659    26.398    138.604   25.389    25.998  3.9122  31.580  3.0390  -5.582115      4.953923 
1 1 1 -8  -29 7  o 22.767  2.7082  73.535    15.768    92.197    23.422    58.067    21.324    25.549  3.5157  19.985  4.1204  5.564068       5.416436 
1 1 1 -8  -29 8  o 33.041  2.2544  151.682   19.660    164.934   28.298    139.318   27.334    34.480  3.0971  31.602  3.2769  2.878452       4.508879 
1 1 1 -8  -29 9  f 27.911  2.4135  108.883   17.633    117.649   25.775    101.170   24.175    28.988  3.3833  26.834  3.4430  2.153908       4.827090 
1 1 1 -8  -29 10 o 20.197  2.9355  59.136    15.288    59.061    22.778    59.197    20.622    20.120  4.3532  20.275  3.9393  -0.1552925     5.871030 
1 1 1 -8  -29 11 o 12.404  2.9532  19.817    12.275    8.5742    18.208    29.184    16.619    10.555  4.2318  14.252  4.1205  -3.696870      5.906447 
1 1 1 -8  -29 12 o 33.496  2.2777  155.879   20.176    151.617   28.563    160.123   28.503    33.016  3.2730  33.976  3.1685  -0.9601517     4.555474 
1 1 1 -8  -29 13 o 30.336  2.3793  128.626   18.699    156.002   27.031    103.503   25.895    33.581  3.0381  27.090  3.6627  6.491724       4.758680 
1 1 1 -8  -29 14 o 16.291  2.8946  34.401    14.152    67.594    21.705    9.8514    18.666    21.736  3.8699  10.846  4.3057  10.89022       5.789238 
1 1 1 -8  -29 15 o 36.923  2.2640  189.007   22.168    189.630   31.242    188.377   31.460    36.991  3.1843  36.854  3.2193  0.1369095      4.528082 
1 1 1 -8  -29 16 o 19.905  2.9624  58.631    15.329    43.465    22.179    72.500    21.209    17.204  4.6861  22.606  3.6254  -5.401955      5.924785 
1 1 1 -8  -29 17 o 45.840  2.1995  290.397   26.837    296.732   37.823    283.974   38.084    46.367  3.0628  45.313  3.1576  1.053879       4.398966 
1 1 1 -8  -29 18 o 18.158  3.3410  48.307    16.479    57.012    24.096    40.657    22.586    19.665  4.6482  16.652  4.8005  3.012850       6.682068 
1 1 1 -8  -29 19 o 47.902  2.2036  317.261   28.105    304.093   39.418    330.878   40.084    46.867  3.1585  48.937  3.0737  -2.070194      4.407225 
1 1 1 -8  -29 20 o 28.090  2.7395  113.246   19.512    143.046   27.968    84.983    27.236    31.997  3.3112  24.184  4.3653  7.812668       5.479086 
1 1 1 -8  -29 21 o 43.034  2.2182  257.132   25.374    263.374   35.534    250.639   36.245    43.605  3.0619  42.463  3.2105  1.141838       4.436450 
1 1 1 -8  -29 22 o 11.311  3.1872  10.328    14.623    16.291    21.305    5.0168    20.108    12.224  4.6706  10.397  4.3380  1.827254       6.374341 
1 1 1 -8  -29 23 o 19.729  3.2475  57.897    16.879    64.800    24.071    51.218    23.676    20.956  4.4273  18.503  4.7523  2.453091       6.494992 
1 1 1 -8  -29 24 o 51.900  2.2072  375.085   30.496    396.743   43.084    353.339   43.171    53.469  3.0207  50.331  3.2192  3.137741       4.414482 
1 1 1 -8  -29 25 o 14.932  3.2641  29.758    15.711    51.332    22.949    10.729    21.553    18.481  4.6422  11.383  4.5898  7.097909       6.528167 
1 1 1 -8  -29 26 o 8.5886  2.6834  -22.3045  13.564    12.879    20.977    -47.5838  17.781    11.562  4.5725  5.6152  2.8099  5.946936       5.366879 
1 1 1 -8  -29 27 o 46.249  2.2471  300.229   27.665    305.571   39.401    295.034   38.852    46.660  3.1714  45.837  3.1843  0.8230820      4.494160 
1 1 1 -8  -29 28 o 33.663  2.5064  162.154   21.891    196.469   31.631    130.610   30.327    37.311  3.1959  30.015  3.8618  7.296152       5.012761 
1 1 1 -8  -29 29 o 17.689  3.3487  46.867    17.409    72.598    25.300    23.728    23.992    21.923  4.4604  13.456  4.9961  8.467082       6.697438 
1 1 1 -8  -29 30 o 40.370  2.4071  232.915   25.739    228.853   37.278    236.615   35.581    39.946  3.5201  40.795  3.2841  -0.8489723     4.814246 
1 1 1 -8  -29 31 o 20.181  3.3844  63.042    18.122    75.939    26.423    51.588    24.901    22.257  4.5849  18.105  4.9793  4.151356       6.768709 
1 1 1 -8  -29 32 o 16.937  3.2028  43.873    17.600    7.9094    25.701    75.630    24.151    11.480  4.8537  22.395  4.1800  -10.91504      6.405574 
1 1 1 -8  -29 33 o 13.169  3.4821  21.595    16.752    33.579    25.331    12.280    22.333    14.885  5.1816  11.454  4.6531  3.431701       6.964264 
1 1 1 -8  -29 34 o 33.224  2.6761  162.483   23.124    190.481   33.380    136.651   32.063    36.224  3.4833  30.224  4.0637  6.000349       5.352258 
1 1 1 -8  -29 35 o 21.005  5.1643  71.898    28.851    0.0000    0.0000    71.898    28.851    ?       ?       21.005  5.1643  ?              ?        
1 1 1 -8  -29 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -29 37 o 11.024  3.3264  8.0590    17.304    7.8827    25.463    8.2103    23.586    11.146  4.7756  10.903  4.6319  0.2424250      6.652898 
1 1 1 -8  -29 38 o 8.9000  2.9082  -10.8983  16.359    -16.7113  23.631    -5.5490   22.669    8.5495  4.0218  9.2504  4.2018  -0.7008190     5.816319 
1 1 1 -8  -29 39 o 12.334  3.5481  20.249    18.404    21.008    25.901    19.475    26.155    12.417  5.0229  12.250  5.0127  0.1674089      7.096268 
1 1 1 -8  -28 1  o 20.462  2.7121  60.266    14.276    71.431    20.647    50.039    19.761    22.408  3.5590  18.517  4.0932  3.891392       5.424118 
1 1 1 -8  -28 2  o 46.497  2.1122  298.744   26.124    282.489   37.142    314.658   36.751    45.192  3.0868  47.801  2.8839  -2.608829      4.224398 
1 1 1 -8  -28 3  o 19.710  2.8464  56.563    14.456    51.889    21.434    60.462    19.579    18.842  4.3370  20.577  3.6877  -1.735067      5.692857 
1 1 1 -8  -28 4  o 17.357  2.8803  44.124    13.204    37.529    19.295    49.932    18.108    16.060  4.3693  18.654  3.7541  -2.593758      5.760575 
1 1 1 -8  -28 5  o 24.113  2.4487  81.368    15.287    92.684    22.377    71.465    20.933    25.750  3.3219  22.477  3.5985  3.273344       4.897337 
1 1 1 -8  -28 6  o 9.8497  2.6927  8.6291    10.428    -0.1268   16.581    14.360    13.414    8.9611  3.8470  10.738  3.7688  -1.777150      5.385452 
1 1 1 -8  -28 7  o 25.767  2.5236  94.105    16.732    83.872    24.604    102.909   22.822    24.314  3.9106  27.220  3.1908  -2.905876      5.047211 
1 1 1 -8  -28 8  o 15.283  3.0405  33.107    12.898    37.736    19.631    29.591    17.108    16.157  4.4120  14.409  4.1849  1.748436       6.081070 
1 1 1 -8  -28 9  o 40.519  2.1010  225.246   22.635    230.472   32.548    220.351   31.500    40.971  2.9865  40.067  2.9561  0.9043045      4.202073 
1 1 1 -8  -28 10 o 27.677  2.4500  108.214   17.444    90.747    25.275    124.099   24.104    25.363  3.8407  29.991  3.0428  -4.627184      4.900001 
1 1 1 -8  -28 11 o 34.465  2.2353  164.204   20.245    187.756   28.886    141.467   28.382    36.986  2.9401  31.945  3.3678  5.040901       4.470648 
1 1 1 -8  -28 12 o 32.833  2.3139  149.628   19.864    126.342   27.891    173.600   28.298    30.125  3.5231  35.540  3.0008  -5.414976      4.627815 
1 1 1 -8  -28 13 o 81.670  2.2875  913.778   49.997    959.389   70.838    868.506   70.575    83.744  3.1581  79.597  3.3103  4.147774       4.575078 
1 1 1 -8  -28 14 o 22.077  2.8380  69.414    16.163    68.493    22.790    70.346    22.927    21.921  4.0299  22.233  3.9970  -0.3112793     5.675910 
1 1 1 -8  -28 15 o 51.873  2.1351  368.679   29.512    369.229   40.937    368.083   42.586    51.938  2.9549  51.808  3.0828  0.1301003      4.270252 
1 1 1 -8  -28 16 o 49.945  2.1201  342.503   28.167    358.192   39.232    325.810   40.466    51.177  2.8736  48.712  3.1178  2.465221       4.240115 
1 1 1 -8  -28 17 o 22.564  2.9308  73.887    16.902    58.326    24.308    88.453    23.518    20.022  4.6256  25.106  3.6004  -5.083231      5.861629 
1 1 1 -8  -28 18 o 80.876  2.2974  897.368   49.758    910.015   70.004    884.453   70.739    81.477  3.2077  80.276  3.2899  1.200447       4.594883 
1 1 1 -8  -28 19 o 46.326  2.1426  295.259   26.392    310.958   37.044    279.076   37.611    47.626  2.9180  45.027  3.1382  2.598816       4.285199 
1 1 1 -8  -28 20 f 29.304  2.6540  123.160   19.585    155.826   27.548    89.779    27.848    33.587  3.0970  25.021  4.3108  8.565630       5.307978 
1 1 1 -8  -28 21 o 46.463  2.1514  297.506   26.584    311.256   37.250    283.234   37.950    47.606  2.9356  45.321  3.1458  2.285393       4.302732 
1 1 1 -8  -28 22 o 14.108  3.2646  27.306    14.445    20.460    20.779    33.709    20.094    12.911  4.6730  15.305  4.5600  -2.393369      6.529188 
1 1 1 -8  -28 23 f 52.731  2.1542  383.155   30.292    379.370   42.462    387.077   43.229    52.471  3.0342  52.991  3.0586  -0.5198669     4.308316 
1 1 1 -8  -28 24 o 43.913  2.2039  266.961   25.716    249.913   36.179    284.369   36.559    42.449  3.2057  45.378  3.0253  -2.929031      4.407791 
1 1 1 -8  -28 25 o 26.833  2.8416  105.758   19.011    73.417    27.052    137.319   26.723    22.302  4.6780  31.364  3.2271  -9.061932      5.683107 
1 1 1 -8  -28 26 o 29.463  2.5965  124.073   19.639    149.417   27.884    99.126    27.665    32.695  3.2261  26.232  4.0693  6.463228       5.193003 
1 1 1 -8  -28 27 o 51.687  2.1822  371.292   30.026    397.004   42.729    346.211   42.201    53.516  2.9929  49.858  3.1766  3.658047       4.364426 
1 1 1 -8  -28 28 o 23.972  2.9648  84.187    18.323    79.405    26.050    88.870    25.777    23.209  4.3503  24.736  4.0293  -1.526806      5.929603 
1 1 1 -8  -28 29 o 24.837  2.9731  92.651    18.606    66.637    26.634    117.450   26.004    20.940  4.8448  28.734  3.4476  -7.793993      5.946278 
1 1 1 -8  -28 30 o 17.534  3.3905  47.336    16.547    39.451    24.169    54.293    22.703    16.138  5.0398  18.930  4.5367  -2.792904      6.780911 
1 1 1 -8  -28 31 o 11.620  3.0751  10.994    14.849    -12.0976  21.861    30.770    20.231    8.8294  4.0541  14.410  4.6249  -5.580641      6.150180 
1 1 1 -8  -28 32 o 28.480  2.8319  119.107   20.586    148.929   30.052    92.739    28.258    32.148  3.5492  24.811  4.4138  7.336300       5.663814 
1 1 1 -8  -28 33 o 10.654  3.1666  6.4818    15.279    6.9747    22.574    6.0650    20.756    10.875  4.5707  10.433  4.3839  0.4414806      6.333209 
1 1 1 -8  -28 34 o 17.789  3.4251  50.258    17.211    36.727    24.714    63.000    23.982    15.409  5.1226  20.169  4.5478  -4.759973      6.850103 
1 1 1 -8  -28 35 o 12.498  2.9694  8.8699    16.027    -33.1984  23.115    47.816    22.241    7.5673  3.6691  17.429  4.6698  -9.861994      5.938794 
1 1 1 -8  -28 36 o 11.296  3.2988  10.819    16.230    8.0367    23.933    13.187    22.083    11.114  4.6906  11.479  4.6398  -0.3649216     6.597655 
1 1 1 -8  -28 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -28 38 o 15.921  3.7834  41.087    19.657    27.587    27.381    55.444    28.237    13.790  5.2886  18.052  5.4117  -4.262511      7.566748 
1 1 1 -8  -28 39 o 12.079  3.0188  -0.3414   17.153    50.322    24.333    -50.3905  24.185    17.291  4.9820  6.8670  3.4106  10.42410       6.037554 
1 1 1 -8  -28 40 o 16.592  3.4927  45.271    19.278    77.497    27.484    14.063    27.047    21.408  4.8992  11.777  4.9792  9.631161       6.985319 
1 1 1 -8  -27 1  o 23.760  2.4646  79.832    15.105    71.467    21.749    87.626    20.994    22.442  3.7506  25.077  3.1985  -2.634960      4.929225 
1 1 1 -8  -27 2  o 12.789  2.5623  17.624    11.195    43.714    16.679    -3.7655   15.102    17.486  3.6777  8.0923  3.5689  9.393806       5.124671 
1 1 1 -8  -27 3  o 36.722  2.0945  185.050   20.412    194.615   29.315    176.048   28.439    37.658  2.9294  35.786  2.9945  1.871910       4.189041 
1 1 1 -8  -27 4  o 51.318  2.0450  360.354   27.956    341.277   39.695    379.128   39.379    49.933  2.9816  52.704  2.7996  -2.771149      4.089921 
1 1 1 -8  -27 5  o 29.456  4.4325  123.108   33.889    123.108   33.889    0.0000    0.0000    29.456  4.4325  ?       ?       ?              ?        
1 1 1 -8  -27 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -27 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -27 8  o 15.850  3.5040  36.453    15.886    21.521    32.077    41.305    18.287    14.719  5.7029  16.981  4.0729  -2.261607      7.007997 
1 1 1 -8  -27 9  o 18.150  2.6253  45.574    13.111    84.354    19.733    14.922    17.544    24.719  3.0448  11.581  4.2777  13.13790       5.250691 
1 1 1 -8  -27 10 o 48.735  2.0598  324.229   26.697    351.325   37.883    297.496   37.629    50.802  2.7948  46.669  3.0266  4.132599       4.119568 
1 1 1 -8  -27 11 o 89.936  2.3523  1103.70   56.662    1116.46   80.416    1091.13   79.852    90.456  3.3191  89.416  3.3341  1.039482       4.704537 
1 1 1 -8  -27 12 o 42.569  2.0958  247.990   23.671    268.607   33.381    227.138   33.571    44.399  2.8216  40.739  3.0998  3.659969       4.191668 
1 1 1 -8  -27 13 o 78.648  2.2211  842.275   46.789    836.375   66.148    848.182   66.190    78.368  3.1513  78.928  3.1309  -0.5596771     4.442217 
1 1 1 -8  -27 14 o 49.016  2.0664  327.472   26.974    307.241   37.782    348.504   38.523    47.448  2.9881  50.585  2.8549  -3.137077      4.132732 
1 1 1 -8  -27 15 o 70.971  2.1402  685.268   40.679    689.952   57.173    680.465   57.890    71.228  2.9968  70.715  3.0564  0.5130386      4.280434 
1 1 1 -8  -27 16 o 57.909  2.0837  456.973   32.209    452.876   45.137    461.224   45.975    57.649  2.9328  58.169  2.9606  -0.5207329     4.167317 
1 1 1 -8  -27 17 o 11.919  2.6048  11.188    12.556    -23.7529  18.869    38.952    16.820    7.3215  3.4878  16.516  3.8698  -9.194674      5.209630 
1 1 1 -8  -27 18 o 32.717  2.2201  147.186   19.216    145.409   27.090    148.986   27.260    32.513  3.1502  32.920  3.1292  -0.4065475     4.440277 
1 1 1 -8  -27 19 f 20.109  2.9839  57.796    15.546    60.606    22.572    55.260    21.442    20.578  4.2364  19.639  4.2032  0.9394894      5.967727 
1 1 1 -8  -27 20 o 11.516  3.0656  11.419    13.563    23.811    19.519    -0.1484   18.859    13.456  4.5530  9.5747  4.1064  3.881640       6.131254 
1 1 1 -8  -27 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -27 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -27 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -27 24 o 47.316  2.1414  307.791   26.972    314.116   37.632    301.109   38.679    47.848  2.9507  46.784  3.1042  1.064182       4.282899 
1 1 1 -8  -27 25 o 42.929  2.1523  253.820   24.583    260.204   34.873    247.514   34.659    43.480  3.0130  42.378  3.0743  1.101906       4.304563 
1 1 1 -8  -27 26 o 11.911  3.1141  11.508    14.261    30.018    21.203    -3.7817   19.271    14.637  4.7385  9.1849  4.0420  5.452291       6.228262 
1 1 1 -8  -27 27 o 25.828  2.7483  95.542    18.305    85.568    26.220    105.025   25.566    24.370  4.1666  27.286  3.5850  -2.915466      5.496617 
1 1 1 -8  -27 28 o 40.105  2.2343  223.682   23.781    217.116   34.031    229.950   33.247    39.486  3.2464  40.724  3.0706  -1.237942      4.468522 
1 1 1 -8  -27 29 o 12.460  3.2878  18.161    14.691    20.784    21.769    15.968    19.907    12.975  4.7696  11.945  4.5264  1.029975       6.575568 
1 1 1 -8  -27 30 o 17.642  3.3903  47.122    16.531    41.089    24.235    52.372    22.606    16.575  5.0236  18.709  4.5540  -2.134090      6.780540 
1 1 1 -8  -27 31 o 24.343  2.9730  86.566    18.608    100.498   27.309    74.492    25.423    26.295  4.0038  22.390  4.3960  3.904930       5.946030 
1 1 1 -8  -27 32 o 24.300  3.0622  88.000    18.759    132.365   27.796    50.890    25.422    30.450  3.4700  18.150  5.0465  12.29965       6.124403 
1 1 1 -8  -27 33 o 12.739  3.3531  20.652    15.283    22.582    22.277    18.936    21.004    13.099  4.8236  12.379  4.6591  0.7205515      6.706229 
1 1 1 -8  -27 34 o 21.687  3.1458  71.697    17.682    87.793    25.439    56.652    24.595    24.310  4.0492  19.063  4.8153  5.247013       6.291519 
1 1 1 -8  -27 35 o 16.808  3.5726  44.622    17.402    46.813    24.576    42.418    24.645    17.200  5.0216  16.416  5.0831  0.7837772      7.145192 
1 1 1 -8  -27 36 o 20.059  3.2496  64.678    18.756    25.717    26.641    102.968   26.411    13.768  5.2317  26.350  3.8561  -12.58261      6.499278 
1 1 1 -8  -27 37 o 11.023  3.2556  8.3128    16.188    2.4276    22.875    14.217    22.913    10.307  4.4719  11.739  4.7327  -1.431819      6.511244 
1 1 1 -8  -27 38 o 20.272  3.5295  66.657    19.138    75.735    27.131    57.664    27.002    21.822  4.7744  18.721  5.1994  3.101274       7.058937 
1 1 1 -8  -27 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -27 40 o 21.911  3.6703  80.986    21.220    77.530    30.183    84.364    29.839    21.327  5.3054  22.495  5.0732  -1.168049      7.340647 
1 1 1 -8  -27 41 o 9.7423  3.0416  -9.7525   17.489    18.247    24.075    -41.0387  25.448    11.997  4.8462  7.4874  3.6770  4.509747       6.083233 
1 1 1 -8  -27 42 o 28.302  3.3870  135.864   24.462    160.899   34.755    111.288   34.435    31.599  4.2113  25.005  5.3058  6.594080       6.773933 
1 1 1 -8  -26 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -26 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -26 3  o 42.599  2.0398  247.592   23.071    271.645   33.006    224.611   32.261    44.660  2.7729  40.537  2.9924  4.123505       4.079642 
1 1 1 -8  -26 4  o 26.115  2.2060  93.952    15.112    96.008    21.919    92.089    20.864    26.380  3.1653  25.850  3.0736  0.5298939      4.412037 
1 1 1 -8  -26 5  o 68.758  2.1150  642.001   38.946    644.603   55.614    639.497   54.558    68.888  3.0141  68.629  2.9680  0.2587433      4.230090 
1 1 1 -8  -26 6  o 13.442  2.6136  21.276    11.252    45.527    16.944    2.1501    15.048    17.947  3.6492  8.9368  3.7427  9.010448       5.227266 
1 1 1 -8  -26 7  o 61.789  2.0667  518.023   34.184    501.944   48.600    533.769   48.092    60.824  2.9831  62.755  2.8611  -1.931103      4.133420 
1 1 1 -8  -26 8  o 61.748  2.0550  516.747   33.978    533.738   48.355    500.176   47.755    62.758  2.8766  60.738  2.9354  2.019936       4.109931 
1 1 1 -8  -26 9  o 35.237  2.1105  170.661   19.417    205.311   27.693    137.154   27.232    38.869  2.6763  31.605  3.2640  7.264141       4.220913 
1 1 1 -8  -26 10 o 41.535  2.0391  234.809   22.542    239.408   31.919    230.233   31.839    41.949  2.8578  41.121  2.9095  0.8271561      4.078249 
1 1 1 -8  -26 11 o 36.236  2.1040  179.194   20.235    182.747   28.525    175.595   28.710    36.609  2.9337  35.863  3.0168  0.7466087      4.208035 
1 1 1 -8  -26 12 o 84.838  2.2508  977.386   51.145    971.885   72.320    982.892   72.341    84.596  3.1917  85.080  3.1744  -0.4840317     4.501547 
1 1 1 -8  -26 13 o 32.996  2.1620  148.980   18.874    155.113   26.662    142.820   26.722    33.699  2.9848  32.294  3.1286  1.405098       4.323980 
1 1 1 -8  -26 14 o 44.536  2.0179  269.477   23.910    250.508   33.320    289.611   34.329    42.901  2.9170  46.172  2.7889  -3.271351      4.035730 
1 1 1 -8  -26 15 o 24.121  2.5624  81.881    15.751    64.440    22.248    99.406    22.303    21.362  4.0362  26.880  3.1578  -5.518213      5.124766 
1 1 1 -8  -26 16 o 50.662  2.0243  348.916   27.346    352.962   38.290    344.704   39.068    50.974  2.8153  50.349  2.9093  0.6257629      4.048509 
1 1 1 -8  -26 17 o 17.762  2.9087  44.619    13.715    57.728    20.008    33.003    18.835    20.231  3.8328  15.293  4.3764  4.937287       5.817472 
1 1 1 -8  -26 18 o 41.593  2.0756  236.228   22.818    203.904   31.928    269.978   32.624    38.621  3.1129  44.566  2.7464  -5.945324      4.151229 
1 1 1 -8  -26 19 f 56.359  2.0517  431.066   30.893    410.737   43.010    452.735   44.404    54.941  2.9333  57.776  2.8693  -2.835354      4.103312 
1 1 1 -8  -26 20 o 63.776  2.0757  552.114   35.387    506.783   49.473    599.602   50.637    61.070  3.0245  66.483  2.8436  -5.413200      4.151348 
1 1 1 -8  -26 21 o 59.422  2.0635  480.022   32.776    462.585   45.952    498.080   46.764    58.277  2.9535  60.566  2.8826  -2.289013      4.127061 
1 1 1 -8  -26 22 o 47.925  2.0721  313.477   26.456    321.839   37.189    304.908   37.645    48.592  2.8701  47.257  2.9895  1.334782       4.144170 
1 1 1 -8  -26 23 o 42.943  2.0583  252.093   23.517    259.497   32.991    244.445   33.530    43.607  2.8400  42.279  2.9800  1.328709       4.116577 
1 1 1 -8  -26 24 o 52.315  2.0761  373.898   28.966    364.211   41.001    383.552   40.927    51.622  2.9779  53.009  2.8935  -1.386627      4.152147 
1 1 1 -8  -26 25 f 35.296  3.2015  189.783   25.638    144.990   46.070    209.879   30.858    31.469  5.6743  39.123  2.9668  -7.653929      6.403098 
1 1 1 -8  -26 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -26 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -26 28 o 29.859  2.4912  124.243   19.375    145.601   28.386    105.612   26.511    32.350  3.3232  27.368  3.7123  4.982098       4.982440 
1 1 1 -8  -26 29 o 71.263  2.1964  698.763   41.910    725.030   59.818    673.436   58.737    72.596  3.0763  69.930  3.1359  2.666939       4.392884 
1 1 1 -8  -26 30 o 18.251  3.3284  49.432    16.356    49.653    23.919    49.237    22.416    18.265  4.8192  18.236  4.5921  0.2966499E-01  6.656742 
1 1 1 -8  -26 31 o 56.061  2.1743  435.689   32.515    444.144   46.681    427.722   45.316    56.580  3.0920  55.542  3.0578  1.037689       4.348633 
1 1 1 -8  -26 32 o 9.5158  2.9280  -2.6636   14.260    -11.4072  20.290    5.8702    20.045    8.5877  3.9293  10.444  4.3421  -1.856189      5.855997 
1 1 1 -8  -26 33 o 19.319  3.1890  56.942    16.991    31.231    23.958    82.958    24.100    14.764  5.0440  23.875  3.9036  -9.111414      6.378031 
1 1 1 -8  -26 34 o 26.257  2.9438  101.693   20.010    99.525    28.199    103.893   28.400    25.949  4.2008  26.565  4.1250  -0.6166134     5.887510 
1 1 1 -8  -26 35 o 14.801  3.5283  32.548    16.604    35.151    23.537    29.969    23.426    15.245  4.9958  14.357  4.9838  0.8878355      7.056655 
1 1 1 -8  -26 36 o 16.985  3.2368  42.811    17.384    11.638    24.378    75.062    24.796    11.726  4.8236  22.245  4.3173  -10.51931      6.473507 
1 1 1 -8  -26 37 o 14.489  3.3925  29.672    16.724    48.850    23.668    10.544    23.636    17.555  4.8651  11.423  4.7292  6.131838       6.784911 
1 1 1 -8  -26 38 o 20.077  3.3880  63.629    20.003    106.499   29.016    24.806    27.612    26.489  4.2320  13.664  5.2920  12.82522       6.776030 
1 1 1 -8  -26 39 o 9.7883  3.0672  -5.7799   16.497    -19.8939  22.747    9.8818    23.962    8.2819  3.9110  11.295  4.7259  -3.012739      6.134336 
1 1 1 -8  -26 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -26 41 o 30.552  3.1355  146.942   24.718    165.915   35.241    128.571   34.678    32.839  4.0956  28.266  4.7488  4.572683       6.270971 
1 1 1 -8  -26 42 o 13.518  3.7633  27.530    20.088    23.244    28.564    31.724    28.256    12.992  5.2680  14.044  5.3756  -1.051659      7.526592 
1 1 1 -8  -26 43 o 12.188  3.5909  17.557    19.870    30.126    28.528    5.7153    27.691    13.539  5.3393  10.836  4.8030  2.703223       7.181761 
1 1 1 -8  -25 1  o 33.347  2.0838  152.530   18.327    137.273   26.055    167.474   25.786    31.638  3.1149  35.055  2.7688  -3.416075      4.167614 
1 1 1 -8  -25 2  o 34.909  2.0119  166.361   18.603    179.286   26.349    153.515   26.267    36.296  2.7303  33.522  2.9557  2.773285       4.023757 
1 1 1 -8  -25 3  o 13.124  2.5667  23.487    10.475    6.5174    15.273    38.560    14.394    9.6959  3.8798  16.552  3.3614  -6.856134      5.133427 
1 1 1 -8  -25 4  o 29.948  2.1457  122.790   16.950    122.152   24.572    123.370   23.413    29.855  3.1188  30.041  2.9477  -0.1861935     4.291430 
1 1 1 -8  -25 5  o 54.189  1.9715  397.925   28.540    389.618   40.860    405.838   39.881    53.586  2.8571  54.792  2.7174  -1.205894      3.943041 
1 1 1 -8  -25 6  o 23.208  2.2908  74.284    13.726    87.484    19.949    62.419    18.914    25.245  3.0096  21.172  3.4545  4.073332       4.581574 
1 1 1 -8  -25 7  o 29.113  2.0783  115.799   15.979    116.696   22.944    114.955   22.266    29.217  2.9734  29.010  2.9046  0.2071648      4.156650 
1 1 1 -8  -25 8  o 36.892  1.9965  185.123   19.548    197.356   27.777    173.119   27.516    38.123  2.7385  35.661  2.9060  2.462486       3.993005 
1 1 1 -8  -25 9  o 47.896  1.9835  311.095   25.334    312.846   35.779    309.334   35.877    48.034  2.7930  47.757  2.8172  0.2764244      3.967030 
1 1 1 -8  -25 10 f 70.579  2.1045  674.496   39.736    636.345   56.162    712.737   56.229    68.559  3.0584  72.600  2.8916  -4.040054      4.208908 
1 1 1 -8  -25 11 o 87.918  2.2552  1047.54   53.082    1087.93   75.273    1007.57   74.866    89.621  3.1357  86.214  3.2420  3.406837       4.510381 
1 1 1 -8  -25 12 o 38.562  2.0243  202.876   20.664    220.560   28.934    184.467   29.521    40.325  2.6943  36.799  3.0217  3.525757       4.048502 
1 1 1 -8  -25 13 o 30.766  2.1898  130.613   17.536    152.607   24.673    108.163   24.927    33.495  2.7752  28.037  3.3880  5.457706       4.379547 
1 1 1 -8  -25 14 o 21.091  2.6822  62.315    14.591    65.108    20.840    59.630    20.436    21.577  3.7415  20.606  3.8441  0.9713726      5.364326 
1 1 1 -8  -25 15 o 40.609  2.0039  224.135   21.644    228.227   30.231    219.831   31.002    41.004  2.7688  40.213  2.8977  0.7904434      4.007805 
1 1 1 -8  -25 16 o 70.655  2.0806  676.140   39.340    699.506   55.213    652.045   56.067    71.915  2.8664  69.396  3.0164  2.519203       4.161115 
1 1 1 -8  -25 17 o 33.922  2.1125  157.434   18.930    168.537   26.470    145.810   27.084    35.190  2.8322  32.654  3.1352  2.536407       4.225069 
1 1 1 -8  -25 18 o 20.621  2.7858  61.146    14.716    36.706    20.537    86.940    21.098    16.123  4.5547  25.120  3.2091  -8.996635      5.571661 
1 1 1 -8  -25 19 f 50.036  1.9723  339.463   26.319    329.305   36.639    350.291   37.830    49.261  2.7883  50.811  2.7903  -1.549446      3.944693 
1 1 1 -8  -25 20 o 51.159  1.9948  355.079   27.214    339.406   37.991    371.598   39.003    49.990  2.8491  52.328  2.7928  -2.338139      3.989661 
1 1 1 -8  -25 21 o 29.069  2.2818  116.253   17.450    120.308   24.529    112.099   24.829    29.608  3.1409  28.530  3.3107  1.078072       4.563569 
1 1 1 -8  -25 22 o 47.624  2.0143  308.423   25.577    306.847   36.128    310.008   36.215    47.501  2.8528  47.747  2.8446  -0.2467308     4.028666 
1 1 1 -8  -25 23 o 91.948  2.3446  1151.47   57.737    1128.74   81.448    1174.44   81.860    91.024  3.3407  92.872  3.2908  -1.847824      4.689285 
1 1 1 -8  -25 24 o 28.717  2.3485  113.810   17.719    108.711   24.852    119.080   25.268    28.041  3.3768  29.393  3.2647  -1.352196      4.696982 
1 1 1 -8  -25 25 o 57.335  2.0643  447.808   31.604    429.162   45.022    465.922   44.375    56.092  3.0076  58.577  2.8283  -2.484833      4.128536 
1 1 1 -8  -25 26 o 96.267  2.3968  1267.70   61.799    1265.37   87.609    1270.00   87.187    96.172  3.4011  96.361  3.3780  -0.1892929     4.793556 
1 1 1 -8  -25 27 f 16.567  2.9977  39.527    14.689    15.154    21.196    62.051    20.376    12.200  4.6592  20.933  3.7730  -8.732221      5.995346 
1 1 1 -8  -25 28 o 35.819  3.8937  179.376   36.755    0.0000    0.0000    179.376   36.755    ?       ?       35.819  3.8937  ?              ?        
1 1 1 -8  -25 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -25 30 o 29.008  2.5108  117.619   19.046    129.630   27.719    106.875   26.214    30.458  3.4590  27.559  3.6404  2.898987       5.021669 
1 1 1 -8  -25 31 o 68.520  2.1672  645.647   39.740    683.836   56.893    609.261   55.534    70.529  3.0116  66.511  3.1173  4.017998       4.334417 
1 1 1 -8  -25 32 o 15.744  3.0793  32.783    15.461    62.248    22.543    6.6161    21.244    20.643  4.2195  10.844  4.4860  9.799641       6.158569 
1 1 1 -8  -25 33 o 12.083  3.2665  15.837    14.785    19.457    21.276    12.457    20.561    12.679  4.7053  11.488  4.5321  1.190414       6.532983 
1 1 1 -8  -25 34 o 30.407  2.6103  133.269   20.497    111.336   29.179    154.632   28.798    27.694  4.0537  33.120  3.2898  -5.426338      5.220636 
1 1 1 -8  -25 35 o 11.997  3.2684  15.584    15.066    21.917    21.074    8.9646    21.546    12.931  4.7020  11.063  4.5409  1.867994       6.536748 
1 1 1 -8  -25 36 o 11.249  3.2320  10.666    15.311    14.017    21.102    6.9406    22.249    11.629  4.5902  10.868  4.5512  0.7610426      6.464020 
1 1 1 -8  -25 37 o 12.750  3.3541  16.850    16.680    -1.7540   23.167    36.873    24.034    10.017  4.4188  15.483  5.0471  -5.465981      6.708127 
1 1 1 -8  -25 38 o 15.532  3.5932  36.842    17.885    50.224    25.284    23.441    25.302    17.717  5.0708  13.347  5.0922  4.369257       7.186322 
1 1 1 -8  -25 39 o 11.205  3.2933  9.8747    16.333    12.621    22.371    6.7395    23.902    11.448  4.6546  10.963  4.6602  0.4846172      6.586619 
1 1 1 -8  -25 40 o 13.246  3.4974  22.539    17.351    9.4323    24.020    36.841    25.090    11.246  4.7202  15.246  5.1620  -4.000009      6.994730 
1 1 1 -8  -25 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -25 42 o 17.453  3.7779  52.603    20.505    70.955    28.351    32.473    29.691    20.487  5.1673  14.419  5.5126  6.067675       7.555748 
1 1 1 -8  -25 43 o 16.467  3.8355  47.727    21.085    67.834    29.281    26.068    30.389    19.517  5.4123  13.417  5.4360  6.099128       7.670919 
1 1 1 -8  -25 44 o 13.322  3.5886  21.591    20.082    -6.8912   27.411    54.595    29.506    9.7315  4.4940  16.913  5.5960  -7.181114      7.177188 
1 1 1 -8  -24 1  o 37.250  2.0055  188.674   19.852    195.138   28.282    182.396   27.873    37.888  2.8068  36.612  2.8652  1.276165       4.010907 
1 1 1 -8  -24 2  o 57.262  1.9735  443.166   30.266    441.223   43.044    445.066   42.566    57.134  2.8128  57.390  2.7691  -0.2563629     3.947086 
1 1 1 -8  -24 3  o 56.473  1.9793  430.868   29.938    435.850   42.522    425.971   42.158    56.797  2.7951  56.148  2.8032  0.6488113      3.958629 
1 1 1 -8  -24 4  o 68.723  2.0756  638.921   38.180    620.499   54.465    656.719   53.535    67.734  3.0021  69.713  2.8671  -1.978874      4.151246 
1 1 1 -8  -24 5  o 27.597  2.1082  104.138   15.326    103.776   22.026    104.478   21.340    27.540  3.0364  27.655  2.9254  -0.1150303     4.216331 
1 1 1 -8  -24 6  o 35.673  1.9543  172.819   18.516    165.840   26.131    179.858   26.242    34.936  2.8164  36.410  2.7102  -1.474266      3.908652 
1 1 1 -8  -24 7  o 29.562  2.0650  119.107   16.088    130.872   23.089    108.004   22.430    31.013  2.8101  28.111  3.0267  2.902454       4.130077 
1 1 1 -8  -24 8  o 73.290  2.0886  725.507   40.998    734.839   58.215    716.325   57.748    73.759  2.9467  72.821  2.9607  0.9380569      4.177124 
1 1 1 -8  -24 9  o 31.500  2.0501  135.071   17.103    136.094   24.208    134.052   24.167    31.622  2.8901  31.379  2.9084  0.2429581      4.100204 
1 1 1 -8  -24 10 o 13.980  2.6647  27.065    11.092    11.297    16.001    41.648    15.389    10.721  4.0592  17.238  3.4532  -6.517466      5.329365 
1 1 1 -8  -24 11 o 74.680  2.0969  753.112   41.944    746.833   59.135    759.470   59.503    74.366  2.9688  74.994  2.9623  -0.6278992     4.193889 
1 1 1 -8  -24 12 o 10.037  2.7142  8.7720    10.265    13.565    15.142    4.6957    13.964    10.985  3.9870  9.0884  3.6839  1.896563       5.428409 
1 1 1 -8  -24 13 o 25.224  2.3252  87.580    15.313    91.754    21.555    83.329    21.757    25.862  3.1786  24.586  3.3944  1.276533       4.650326 
1 1 1 -8  -24 14 o 47.361  1.9578  303.387   24.718    294.225   34.397    313.171   35.546    46.620  2.7669  48.102  2.7706  -1.481869      3.915655 
1 1 1 -8  -24 15 o 33.187  2.0446  149.580   17.939    135.092   24.877    165.274   25.892    31.486  2.9855  34.887  2.7943  -3.401430      4.089153 
1 1 1 -8  -24 16 o 13.014  2.9314  22.580    11.563    25.638    16.370    19.535    16.334    13.663  4.1261  12.366  4.1650  1.297452       5.862767 
1 1 1 -8  -24 17 o 76.103  2.1229  782.957   43.259    788.505   60.571    777.182   61.803    76.388  2.9604  75.818  3.0433  0.5696640      4.245705 
1 1 1 -8  -24 18 f 57.161  1.9481  440.841   29.810    420.679   41.635    462.047   42.700    55.816  2.7849  58.506  2.7248  -2.690239      3.896184 
1 1 1 -8  -24 19 o 39.415  1.9931  210.975   20.895    213.066   29.258    208.799   29.852    39.624  2.7743  39.206  2.8624  0.4174652      3.986266 
1 1 1 -8  -24 20 o 42.430  1.9811  244.229   22.347    225.308   31.225    264.097   31.996    40.723  2.8813  44.137  2.7197  -3.414524      3.962145 
1 1 1 -8  -24 21 o 40.115  2.0103  219.398   21.357    241.583   30.099    196.900   30.310    42.207  2.6763  38.023  3.0005  4.184368       4.020661 
1 1 1 -8  -24 22 o 59.390  1.9941  477.223   31.715    485.972   44.760    468.401   44.944    59.944  2.7878  58.837  2.8519  1.107079       3.988116 
1 1 1 -8  -24 23 o 77.276  2.1585  809.664   44.677    800.551   63.039    818.860   63.327    76.836  3.0631  77.716  3.0422  -0.8801575     4.317097 
1 1 1 -8  -24 24 o 10.177  2.5679  -3.1647   11.621    28.756    17.242    -29.7332  15.730    14.342  4.2115  6.0115  2.9394  8.330728       5.135870 
1 1 1 -8  -24 25 o 24.319  2.5445  82.509    16.024    80.107    23.365    84.641    22.017    23.934  3.7694  24.704  3.4190  -0.7702866     5.089019 
1 1 1 -8  -24 26 o 13.552  2.8967  22.587    13.231    0.7712    19.063    42.863    18.378    9.7710  4.1579  17.333  4.0342  -7.561935      5.793330 
1 1 1 -8  -24 27 o 10.102  2.9323  4.1906    12.821    10.558    18.888    -1.2509   17.461    11.103  4.3554  9.1001  3.9275  2.002903       5.864690 
1 1 1 -8  -24 28 o 15.533  3.1391  33.491    14.095    45.836    20.565    22.554    19.356    17.848  4.3431  13.218  4.5336  4.630022       6.278196 
1 1 1 -8  -24 29 o 35.500  2.2149  172.983   20.819    181.368   30.362    165.541   28.603    36.309  3.1532  34.690  3.1114  1.619579       4.429874 
1 1 1 -8  -24 30 o 47.830  2.8928  333.954   32.299    286.832   59.463    353.677   38.469    44.797  5.0434  50.862  2.8350  -6.065201      5.785659 
1 1 1 -8  -24 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -24 32 o 18.225  3.1743  49.121    16.387    24.871    23.347    72.669    23.007    13.926  4.9637  22.523  3.9581  -8.596940      6.348591 
1 1 1 -8  -24 33 o 28.879  2.5208  117.528   19.078    119.808   27.422    115.389   26.559    29.144  3.5887  28.614  3.5410  0.5306015      5.041534 
1 1 1 -8  -24 34 o 19.630  3.2455  57.332    16.759    57.413    23.765    57.252    23.637    19.641  4.5984  19.619  4.5812  0.2222061E-01  6.490993 
1 1 1 -8  -24 35 o 15.091  3.4956  32.996    16.294    34.906    23.450    31.213    22.657    15.434  4.9819  14.748  4.9049  0.6861725      6.991225 
1 1 1 -8  -24 36 o 19.217  3.3892  57.206    18.546    30.188    26.514    83.088    25.951    14.735  5.2855  23.699  4.2439  -8.964784      6.778490 
1 1 1 -8  -24 37 o 27.785  2.8352  113.850   20.205    93.910    28.364    134.393   28.790    25.030  4.3909  30.540  3.5879  -5.510281      5.670365 
1 1 1 -8  -24 38 o 13.519  3.4039  23.985    16.622    38.770    22.947    7.6616    24.111    15.820  4.9059  11.218  4.7199  4.601458       6.807724 
1 1 1 -8  -24 39 o 12.478  3.3460  17.868    16.118    30.959    22.893    5.0018    22.696    14.351  4.9299  10.606  4.5255  3.745214       6.692076 
1 1 1 -8  -24 40 o 12.231  3.4939  15.949    17.692    15.887    24.616    16.016    25.446    12.171  4.9060  12.290  4.9761  -0.1188288     6.987884 
1 1 1 -8  -24 41 o 38.126  2.7157  216.069   27.354    218.672   38.884    213.520   38.487    38.360  3.8359  37.893  3.8452  0.4666176      5.431370 
1 1 1 -8  -24 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -24 43 o 15.282  3.9633  39.159    21.299    42.149    29.250    35.784    31.076    15.710  5.5605  14.854  5.6490  0.8566017      7.926559 
1 1 1 -8  -24 44 o 24.474  3.7994  105.346   24.247    113.780   33.897    96.509    34.698    25.848  5.0771  23.100  5.6538  2.748287       7.598797 
1 1 1 -8  -23 1  o 32.713  1.9990  145.555   17.342    144.210   24.578    146.888   24.473    32.558  2.8470  32.868  2.8068  -0.3100204     3.997942 
1 1 1 -8  -23 2  o 64.771  2.0229  566.343   35.094    567.491   49.922    565.221   49.343    64.834  2.8748  64.709  2.8469  0.1247940      4.045893 
1 1 1 -8  -23 3  o 61.449  1.9902  509.372   32.748    525.423   46.581    493.685   46.050    62.411  2.7865  60.488  2.8424  1.923141       3.980383 
1 1 1 -8  -23 4  o 73.180  2.1135  722.705   41.421    738.097   59.107    707.850   58.063    73.947  2.9842  72.414  2.9936  1.532791       4.226943 
1 1 1 -8  -23 5  o 39.794  1.9238  214.402   20.372    222.688   28.929    206.249   28.695    40.567  2.6774  39.021  2.7633  1.546150       3.847625 
1 1 1 -8  -23 6  o 9.4753  2.3609  7.7488    8.6057    -5.9200   12.772    19.115    11.647    7.1601  3.2118  11.790  3.4611  -4.630340      4.721767 
1 1 1 -8  -23 7  o 46.463  1.9389  291.836   24.017    299.577   34.043    284.166   33.888    47.084  2.7108  45.843  2.7729  1.240658       3.877802 
1 1 1 -8  -23 8  o 60.854  1.9919  499.083   32.452    515.991   45.882    482.158   45.905    61.892  2.7677  59.816  2.8652  2.075886       3.983700 
1 1 1 -8  -23 9  o 87.278  2.2249  1027.64   52.012    1032.91   73.725    1022.42   73.388    87.501  3.1457  87.055  3.1473  0.4457474      4.449830 
1 1 1 -8  -23 10 o 131.481 2.8416  2342.43   100.064   2382.03   141.803   2303.14   141.223   132.598 3.9926  130.364 4.0445  2.233841       5.683199 
1 1 1 -8  -23 11 o 89.994  2.2626  1092.64   54.538    1085.32   76.893    1100.03   77.367    89.691  3.2007  90.297  3.1988  -0.6061020     4.525165 
1 1 1 -8  -23 12 o 65.276  1.9985  573.860   34.939    568.920   49.029    578.958   49.804    64.992  2.8165  65.560  2.8362  -0.5682449     3.997039 
1 1 1 -8  -23 13 o 24.319  2.4513  82.065    15.273    66.172    21.471    98.342    21.729    21.805  3.8153  26.834  3.0789  -5.028849      4.902660 
1 1 1 -8  -23 14 o 107.094 2.4753  1549.72   71.000    1527.98   99.949    1571.87   100.877   106.333 3.5093  107.854 3.4919  -1.521095      4.950612 
1 1 1 -8  -23 15 o 78.572  2.1314  832.251   44.851    820.101   62.832    844.875   64.044    77.988  3.0079  79.155  3.0207  -1.166924      4.262863 
1 1 1 -8  -23 16 o 59.756  1.9615  480.896   31.387    473.618   43.816    488.566   44.982    59.293  2.7589  60.218  2.7888  -0.9246254     3.922910 
1 1 1 -8  -23 17 o 71.915  2.0636  698.132   39.705    721.890   55.527    673.276   56.796    73.182  2.8328  70.647  3.0015  2.534912       4.127159 
1 1 1 -8  -23 18 o 73.837  2.0755  735.189   41.039    716.988   57.478    754.116   58.614    72.903  2.9435  74.770  2.9267  -1.866837      4.150906 
1 1 1 -8  -23 19 o 32.110  2.0601  140.176   17.520    135.843   24.502    144.709   25.062    31.596  2.9285  32.624  2.8983  -1.027971      4.120196 
1 1 1 -8  -23 20 o 32.250  2.0470  141.481   17.494    140.100   24.635    142.885   24.846    32.090  2.8974  32.411  2.8925  -0.3208694     4.094086 
1 1 1 -8  -23 21 o 38.093  1.9929  197.180   20.153    208.970   28.399    185.219   28.604    39.265  2.7170  36.920  2.9162  2.344913       3.985765 
1 1 1 -8  -23 22 f 40.161  1.9728  219.075   21.058    230.726   29.658    207.230   29.904    41.261  2.6985  39.061  2.8785  2.199520       3.945536 
1 1 1 -8  -23 23 o 35.515  2.0146  171.550   18.986    180.837   27.019    162.493   26.683    36.482  2.7861  34.547  2.9107  1.934361       4.029263 
1 1 1 -8  -23 24 o 29.346  2.1895  119.057   16.698    99.082    23.803    138.410   23.430    26.809  3.3906  31.882  2.7713  -5.073111      4.379062 
1 1 1 -8  -23 25 o 69.579  2.0780  655.411   38.708    684.475   55.269    627.430   54.229    71.102  2.9021  68.056  2.9749  3.046051       4.156016 
1 1 1 -8  -23 26 o 54.902  1.9976  409.025   29.270    420.825   41.844    397.717   40.960    55.681  2.8148  54.122  2.8353  1.559380       3.995253 
1 1 1 -8  -23 27 o 8.3302  2.5127  -10.4871  11.782    -38.3272  17.916    10.725    15.639    6.1607  3.0371  10.500  4.0039  -4.338905      5.025488 
1 1 1 -8  -23 28 o 27.606  2.4023  105.498   17.348    104.010   25.263    106.825   23.863    27.385  3.5260  27.826  3.2637  -0.4409370     4.804653 
1 1 1 -8  -23 29 o 18.871  2.9133  54.044    15.149    21.285    22.254    82.334    20.680    13.372  4.8366  24.370  3.2492  -10.99783      5.826619 
1 1 1 -8  -23 30 o 9.2203  2.8109  -1.0554   12.635    0.5874    17.866    -2.6991   17.871    9.4257  4.0184  9.0149  3.9315  0.4107819      5.621761 
1 1 1 -8  -23 31 o 10.730  2.9145  5.0837    13.150    23.677    19.021    -11.9401  18.200    13.361  4.4946  8.0996  3.7116  5.261021       5.829041 
1 1 1 -8  -23 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -23 33 o 24.811  4.0073  85.964    22.731    80.433    25.820    105.018   47.924    23.643  4.2327  25.979  6.8058  -2.335979      8.014642 
1 1 1 -8  -23 34 f 41.152  2.2568  234.863   24.629    254.458   35.262    216.198   34.415    42.880  3.0909  39.423  3.2892  3.456707       4.513586 
1 1 1 -8  -23 35 o 32.470  2.5763  149.401   21.522    186.460   31.182    115.683   29.743    36.551  3.2178  28.389  4.0242  8.162634       5.152550 
1 1 1 -8  -23 36 o 17.350  3.3992  44.847    17.130    27.379    24.097    62.693    24.356    14.215  5.0452  20.485  4.5567  -6.269112      6.798368 
1 1 1 -8  -23 37 o 26.208  3.0127  101.735   20.299    91.330    29.196    111.472   28.242    24.699  4.5819  27.717  3.9131  -3.017658      6.025402 
1 1 1 -8  -23 38 o 28.630  2.8139  120.142   20.995    119.475   29.577    120.820   29.806    28.551  3.9755  28.709  3.9835  -0.1578102     5.627829 
1 1 1 -8  -23 39 o 11.079  3.2608  5.9752    16.558    -6.0475   23.119    18.638    23.726    9.5867  4.3092  12.571  4.8952  -2.984260      6.521659 
1 1 1 -8  -23 40 o 16.153  3.7107  41.159    18.791    51.263    26.319    30.654    26.837    17.822  5.1948  14.484  5.3001  3.338582       7.421369 
1 1 1 -8  -23 41 o 21.866  3.6822  77.693    21.225    75.161    29.081    80.580    31.049    21.542  5.1161  22.191  5.2972  -0.6486282     7.364419 
1 1 1 -8  -23 42 o 28.876  3.2201  129.754   23.863    109.500   33.269    151.217   34.247    26.189  4.9234  31.563  4.1517  -5.373459      6.440216 
1 1 1 -8  -23 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -23 44 o 16.630  3.9334  48.952    21.114    58.706    28.751    37.532    31.108    18.254  5.4582  15.007  5.6652  3.246432       7.866783 
1 1 1 -8  -23 45 f 14.141  3.7749  30.887    21.438    52.990    29.474    6.0606    31.237    16.895  5.5931  11.386  5.0711  5.508940       7.549824 
1 1 1 -8  -22 1  o 101.434 2.4478  1392.25   66.456    1339.97   94.385    1443.65   93.586    99.522  3.5407  103.346 3.3808  -3.824402      4.895607 
1 1 1 -8  -22 2  o 56.338  1.9479  427.593   29.388    421.577   41.769    433.491   41.355    55.942  2.7876  56.734  2.7214  -0.7926979     3.895743 
1 1 1 -8  -22 3  o 113.354 2.5877  1736.85   78.548    1792.40   111.810   1682.73   110.372   115.153 3.6251  111.555 3.6939  3.597969       5.175498 
1 1 1 -8  -22 4  o 84.924  2.2142  972.323   50.357    961.935   71.649    982.464   70.789    84.470  3.1668  85.379  3.0955  -0.9091568     4.428391 
1 1 1 -8  -22 5  o 8.9283  2.2737  2.6465    7.8200    19.263    12.691    -7.5248   9.9290    11.927  3.6398  5.9291  2.7260  5.998331       4.547475 
1 1 1 -8  -22 6  o 66.341  2.0092  592.213   35.700    600.777   50.715    583.801   50.264    66.818  2.8337  65.865  2.8491  0.9525146      4.018387 
1 1 1 -8  -22 7  o 103.972 2.4825  1457.94   69.133    1458.29   98.128    1457.60   97.413    103.981 3.5233  103.962 3.4983  0.1927185E-01  4.965028 
1 1 1 -8  -22 8  o 27.773  2.1600  105.545   15.683    118.296   22.115    92.646    22.242    29.521  2.8316  26.025  3.2625  3.496056       4.319928 
1 1 1 -8  -22 9  o 53.624  1.9378  386.983   27.771    372.080   38.840    402.572   39.724    52.529  2.7704  54.718  2.7104  -2.189846      3.875678 
1 1 1 -8  -22 10 o 72.360  2.0671  704.356   40.041    672.384   56.271    737.148   56.988    70.691  2.9719  74.028  2.8741  -3.337387      4.134289 
1 1 1 -8  -22 11 o 80.806  2.1557  878.841   46.650    883.755   65.508    873.784   66.450    81.040  3.0179  80.573  3.0790  0.4663162      4.311399 
1 1 1 -8  -22 12 o 74.038  2.0664  737.263   40.962    708.717   57.487    766.706   58.383    72.579  2.9571  75.498  2.8871  -2.918999      4.132791 
1 1 1 -8  -22 13 o 37.321  2.0007  188.601   19.824    193.583   27.583    183.278   28.509    37.846  2.7396  36.796  2.9165  1.049393       4.001406 
1 1 1 -8  -22 14 o 163.243 3.3239  3611.62   145.324   3547.61   205.057   3676.21   205.984   161.777 4.7323  164.709 4.6690  -2.932144      6.647883 
1 1 1 -8  -22 15 o 194.107 3.8746  5130.40   201.443   5133.75   284.449   5127.04   285.320   194.176 5.4692  194.037 5.4898  0.1389313      7.749185 
1 1 1 -8  -22 16 o 112.640 2.5323  1711.75   76.396    1706.16   107.486   1717.46   108.603   112.457 3.5684  112.823 3.5938  -0.3662033     5.064506 
1 1 1 -8  -22 17 o 49.094  1.9190  325.116   25.129    321.654   35.042    328.782   36.055    48.828  2.6898  49.361  2.7378  -0.5331993     3.837996 
1 1 1 -8  -22 18 o 58.800  1.9200  465.021   30.182    427.289   42.146    504.746   43.244    56.345  2.7926  61.256  2.6357  -4.910961      3.839988 
1 1 1 -8  -22 19 o 79.495  2.1181  851.371   45.096    839.098   63.345    863.985   64.216    78.914  2.9969  80.076  2.9940  -1.162209      4.236175 
1 1 1 -8  -22 20 o 147.763 3.0983  2965.20   122.607   2902.90   173.094   3027.93   173.692   146.187 4.4206  149.339 4.3423  -3.151855      6.196547 
1 1 1 -8  -22 21 o 119.740 2.6716  1941.74   85.683    1930.03   120.987   1953.53   121.363   119.376 3.7839  120.104 3.7726  -0.7284317     5.343209 
1 1 1 -8  -22 22 o 43.686  1.9440  258.246   22.620    268.538   32.138    248.140   31.844    44.559  2.7055  42.813  2.7922  1.746323       3.887966 
1 1 1 -8  -22 23 o 56.928  1.9384  436.915   29.546    453.716   42.166    420.708   41.413    58.007  2.7139  55.849  2.7684  2.157574       3.876778 
1 1 1 -8  -22 24 o 52.461  1.9597  372.515   27.431    370.426   39.211    374.517   38.388    52.309  2.8089  52.613  2.7334  -0.3037872     3.919343 
1 1 1 -8  -22 25 o 73.219  2.0831  724.948   40.845    720.570   58.258    729.180   57.281    72.993  2.9798  73.444  2.9118  -0.4509430     4.166291 
1 1 1 -8  -22 26 o 73.104  2.0988  722.945   41.086    743.489   58.875    703.444   57.363    74.116  2.9657  72.091  2.9707  2.024849       4.197681 
1 1 1 -8  -22 27 o 44.927  1.9913  273.855   23.827    283.125   34.449    265.353   32.991    45.655  2.8310  44.200  2.8011  1.454884       3.982586 
1 1 1 -8  -22 28 o 49.342  2.0010  331.097   26.300    323.815   37.915    337.849   36.511    48.796  2.9143  49.888  2.7429  -1.092609      4.002054 
1 1 1 -8  -22 29 o 59.917  2.0300  486.748   32.568    490.693   46.702    483.013   45.442    60.146  2.8989  59.688  2.8424  0.4578781      4.059903 
1 1 1 -8  -22 30 f 81.640  2.2321  907.910   48.781    880.182   69.345    935.073   68.634    80.378  3.2210  82.902  3.0909  -2.524147      4.464126 
1 1 1 -8  -22 31 o 50.549  2.0907  349.394   28.132    333.949   40.365    363.980   39.227    49.423  3.0644  51.676  2.8450  -2.253681      4.181452 
1 1 1 -8  -22 32 o 60.118  2.1026  493.921   33.749    476.039   48.347    510.917   47.134    58.982  3.0709  61.254  2.8728  -2.271931      4.205198 
1 1 1 -8  -22 33 o 24.476  2.8917  88.491    17.587    55.270    25.084    120.612   24.665    19.435  4.8376  29.516  3.1695  -10.08055      5.783383 
1 1 1 -8  -22 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -22 35 f 21.350  3.0963  66.287    17.126    82.018    24.957    52.285    23.545    23.895  4.0436  18.806  4.6901  5.089191       6.192556 
1 1 1 -8  -22 36 o 35.220  2.4727  173.999   22.988    183.788   33.535    165.322   31.573    36.155  3.5070  34.285  3.4867  1.870358       4.945331 
1 1 1 -8  -22 37 o 7.1912  2.4274  -24.4791  13.326    -14.3982  17.779    -37.4025  20.130    7.6603  3.5656  6.7221  3.2949  0.9381971      4.854896 
1 1 1 -8  -22 38 o 11.944  3.3607  13.239    16.405    20.206    22.384    5.1546    24.113    12.817  4.8124  11.071  4.6923  1.745613       6.721403 
1 1 1 -8  -22 39 o 14.917  3.2663  28.900    17.892    59.591    24.151    -8.4390   26.639    19.693  4.6526  10.141  4.5855  9.552119       6.532528 
1 1 1 -8  -22 40 o 25.879  3.2615  103.679   21.569    120.033   29.963    86.090    31.073    28.428  4.0494  23.329  5.1139  5.099791       6.522992 
1 1 1 -8  -22 41 o 19.980  3.8173  65.203    20.942    58.303    28.775    72.973    30.535    18.842  5.4145  21.118  5.3824  -2.275476      7.634598 
1 1 1 -8  -22 42 o 14.120  3.7078  28.262    19.218    39.026    26.781    16.835    27.593    15.631  5.3329  12.609  5.1529  3.022307       7.415606 
1 1 1 -8  -22 43 o 22.132  3.7793  82.501    22.507    100.345   31.491    63.870    32.179    25.043  4.8701  19.220  5.7805  5.822956       7.558589 
1 1 1 -8  -22 44 o 16.103  7.1808  33.348    62.840    33.348    62.840    0.0000    0.0000    16.103  7.1808  ?       ?       ?              ?        
1 1 1 -8  -22 45 o 22.925  3.8971  92.785    23.651    96.508    33.180    88.939    33.723    23.560  5.3766  22.290  5.6429  1.269918       7.794236 
1 1 1 -8  -22 46 o 12.430  3.6968  19.770    21.127    26.348    28.840    12.151    31.038    13.081  5.2970  11.780  5.1582  1.300253       7.393608 
1 1 1 -8  -21 1  o 37.546  1.9315  190.605   19.287    195.970   27.424    185.354   27.132    38.075  2.7067  37.018  2.7561  1.057396       3.862950 
1 1 1 -8  -21 2  o 74.668  2.1072  750.696   42.120    728.457   59.874    772.484   59.265    73.565  3.0386  75.770  2.9202  -2.205139      4.214332 
1 1 1 -8  -21 3  o 88.556  2.2569  1056.07   53.514    1033.73   76.110    1077.91   75.257    87.622  3.2430  89.490  3.1397  -1.868004      4.513799 
1 1 1 -8  -21 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 8  o 89.469  2.8410  1063.60   63.248    1126.34   113.647   1035.45   76.126    91.192  4.6684  87.745  3.2391  3.447548       5.682055 
1 1 1 -8  -21 9  o 191.409 3.7520  4961.56   192.310   5099.72   272.379   4824.23   271.556   194.092 5.2393  188.725 5.3721  5.367004       7.503976 
1 1 1 -8  -21 10 o 161.944 3.3039  3542.28   143.296   3479.36   202.511   3605.38   202.791   160.492 4.7109  163.396 4.6336  -2.903351      6.607789 
1 1 1 -8  -21 11 o 63.889  2.0103  547.960   34.338    503.098   47.857    595.562   49.297    61.190  2.9200  66.587  2.7640  -5.397423      4.020699 
1 1 1 -8  -21 12 o 47.150  1.9623  299.606   24.662    298.310   34.352    300.984   35.428    47.048  2.7378  47.251  2.8120  -0.2030602     3.924620 
1 1 1 -8  -21 13 f 89.391  2.2162  1074.02   53.048    1039.33   74.424    1109.84   75.634    87.921  3.1603  90.860  3.1078  -2.938972      4.432378 
1 1 1 -8  -21 14 o 90.230  2.8345  1101.85   64.035    1090.20   111.837   1107.54   78.106    89.711  4.6704  90.750  3.2133  -1.038666      5.669038 
1 1 1 -8  -21 15 o 83.083  4.1417  931.056   92.168    0.0000    0.0000    931.056   92.168    ?       ?       83.083  4.1417  ?              ?        
1 1 1 -8  -21 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 19 o 61.132  2.5517  497.528   37.777    487.362   44.663    523.085   70.814    60.206  2.7696  62.059  4.2864  -1.853489      5.103342 
1 1 1 -8  -21 20 o 62.771  1.9483  529.911   32.757    527.015   46.194    532.841   46.458    62.599  2.7550  62.944  2.7556  -0.3450089     3.896594 
1 1 1 -8  -21 21 o 87.414  2.2014  1029.94   51.490    1086.12   72.921    974.085   72.715    89.805  3.0315  85.022  3.1930  4.783432       4.402896 
1 1 1 -8  -21 22 o 87.897  2.2212  1041.44   52.292    1049.00   74.189    1033.97   73.718    88.214  3.1399  87.580  3.1425  0.6348190      4.442338 
1 1 1 -8  -21 23 o 74.400  2.0654  746.466   41.127    716.905   58.374    775.602   57.953    72.926  2.9885  75.874  2.8516  -2.948845      4.130704 
1 1 1 -8  -21 24 o 52.098  1.9396  366.938   26.952    359.937   38.599    373.598   37.651    51.602  2.8032  52.595  2.6815  -0.9933205     3.879223 
1 1 1 -8  -21 25 f 86.259  2.2207  1005.24   51.302    1025.68   73.099    985.396   72.018    87.125  3.1324  85.393  3.1487  1.732002       4.441409 
1 1 1 -8  -21 26 o 51.662  1.9462  361.238   26.816    359.682   38.583    362.692   37.297    51.544  2.8052  51.780  2.6985  -0.2366142     3.892466 
1 1 1 -8  -21 27 o 31.683  2.1343  136.462   17.852    148.914   26.149    125.591   24.432    33.049  2.9863  30.317  3.0502  2.732588       4.268647 
1 1 1 -8  -21 28 f 10.811  2.8568  10.411    11.678    0.9481    16.472    19.975    16.559    9.1628  3.8806  12.458  4.1937  -3.295586      5.713666 
1 1 1 -8  -21 29 o 55.461  2.0237  418.381   29.902    391.447   42.984    443.637   41.624    53.654  3.0031  57.268  2.7136  -3.614449      4.047433 
1 1 1 -8  -21 30 o 33.207  2.2063  150.677   19.365    161.460   28.180    141.029   26.656    34.345  3.0966  32.069  3.1437  2.275265       4.412647 
1 1 1 -8  -21 31 o 30.555  2.3572  130.040   18.712    110.839   26.961    147.882   25.990    28.246  3.6489  32.863  2.9852  -4.617170      4.714418 
1 1 1 -8  -21 32 o 11.226  2.9676  8.1709    13.455    26.170    19.125    -9.4707   18.934    13.890  4.5006  8.5621  3.8694  5.327909       5.935292 
1 1 1 -8  -21 33 o 14.547  3.2137  27.464    15.039    44.753    21.351    10.441    21.186    17.596  4.5095  11.498  4.5799  6.098433       6.427354 
1 1 1 -8  -21 34 o 41.566  2.2518  237.799   24.858    250.844   35.636    225.435   34.693    42.698  3.1379  40.434  3.2303  2.264347       4.503523 
1 1 1 -8  -21 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 36 o 12.234  3.2848  13.472    15.688    27.696    22.368    -0.2989   22.009    14.271  4.8737  10.197  4.4052  4.074462       6.569523 
1 1 1 -8  -21 37 o 19.564  3.4371  57.067    18.319    40.555    25.366    75.067    26.484    16.573  5.1610  22.556  4.5408  -5.982332      6.874172 
1 1 1 -8  -21 38 o 9.3112  2.8676  -8.4760   14.884    10.795    19.815    -33.4322  22.549    11.076  4.4237  7.5466  3.6502  3.529204       5.735284 
1 1 1 -8  -21 39 o 25.259  3.1743  95.525    20.652    101.495   28.890    89.287    29.532    26.210  4.2616  24.309  4.7058  1.901123       6.348683 
1 1 1 -8  -21 40 o 27.424  3.1035  112.515   21.956    100.339   30.350    125.882   31.801    25.724  4.5724  29.125  4.1978  -3.400339      6.207098 
1 1 1 -8  -21 41 o 9.9183  3.0270  -14.4771  16.739    -44.7501  22.844    20.624    24.598    6.9329  3.4200  12.904  4.9955  -5.970808      6.054072 
1 1 1 -8  -21 42 o 22.138  3.5192  79.024    20.584    98.289    29.106    59.748    29.114    25.266  4.4642  19.010  5.4414  6.255796       7.038319 
1 1 1 -8  -21 43 o 14.645  3.4938  25.167    19.240    -6.3482   26.305    61.424    28.215    10.048  4.5491  19.241  5.3039  -9.192871      6.987514 
1 1 1 -8  -21 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -21 45 o 13.725  3.8398  22.454    21.920    2.8022    29.486    46.731    32.773    11.147  4.9478  16.303  5.8734  -5.155840      7.679679 
1 1 1 -8  -21 46 o 10.530  3.3538  -0.0814   19.773    -2.5281   26.431    3.0285    29.798    10.056  4.5556  11.004  4.9232  -0.9483891     6.707575 
1 1 1 -8  -20 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -20 2  o 67.930  2.0161  619.883   36.652    655.399   52.276    585.542   51.403    69.848  2.7942  66.012  2.9072  3.835648       4.032289 
1 1 1 -8  -20 3  o 23.528  2.2152  75.706    13.611    77.512    19.311    73.924    19.186    23.817  3.1007  23.240  3.1646  0.5773659      4.430401 
1 1 1 -8  -20 4  o 60.428  1.9671  490.336   31.838    494.670   45.163    486.056   44.889    60.694  2.7781  60.163  2.7856  0.5312233      3.934137 
1 1 1 -8  -20 5  o 72.265  2.0373  701.223   39.416    730.949   56.112    672.267   55.381    73.779  2.8394  70.750  2.9225  3.029144       4.074693 
1 1 1 -8  -20 6  o 131.984 2.8184  2344.61   99.627    2391.39   141.361   2298.44   140.431   133.296 3.9593  130.672 4.0123  2.624680       5.636900 
1 1 1 -8  -20 7  f 104.447 2.4165  1466.49   67.586    1428.50   95.616    1504.42   95.546    103.090 3.4628  105.804 3.3715  -2.714073      4.833004 
1 1 1 -8  -20 8  o 50.275  1.9275  340.418   25.842    346.757   36.139    333.787   36.967    50.761  2.6674  49.789  2.7832  0.9719276      3.855021 
1 1 1 -8  -20 9  o 37.365  1.9467  188.081   19.312    173.504   26.762    203.917   27.895    35.843  2.8102  38.887  2.6947  -3.044189      3.893398 
1 1 1 -8  -20 10 o 25.629  2.2577  89.662    15.135    91.103    20.913    88.078    21.932    25.865  3.0792  25.394  3.3027  0.4713764      4.515428 
1 1 1 -8  -20 11 o 60.946  1.9494  499.253   31.777    519.339   44.401    478.164   45.497    62.208  2.6648  59.683  2.8461  2.525589       3.898866 
1 1 1 -8  -20 12 o 95.649  2.2966  1228.82   58.794    1165.10   82.480    1294.64   83.830    93.124  3.3067  98.175  3.1880  -5.051170      4.593225 
1 1 1 -8  -20 13 o 99.737  2.3388  1336.73   62.468    1347.37   87.717    1325.78   88.981    100.143 3.2702  99.330  3.3445  0.8129425      4.677572 
1 1 1 -8  -20 14 o 85.751  2.1683  987.479   49.795    980.313   69.769    994.920   71.093    85.435  3.0488  86.066  3.0839  -0.6313095     4.336601 
1 1 1 -8  -20 15 o 55.372  1.9026  411.366   28.211    402.344   39.372    420.884   40.442    54.749  2.6849  55.995  2.6964  -1.246647      3.805171 
1 1 1 -8  -20 16 o 141.717 2.9565  2705.49   112.218   2727.25   158.195   2683.44   159.210   142.296 4.1506  141.137 4.2115  1.159637       5.913083 
1 1 1 -8  -20 17 o 38.310  1.9576  198.142   19.902    180.951   27.866    216.039   28.432    36.594  2.8659  40.026  2.6673  -3.431805      3.915110 
1 1 1 -8  -20 18 o 82.675  2.1314  919.042   47.169    949.758   66.400    887.750   67.019    84.077  2.9485  81.274  3.0786  2.802719       4.262835 
1 1 1 -8  -20 19 o 70.554  1.9950  668.748   37.698    658.317   53.143    679.314   53.485    69.999  2.8344  71.109  2.8081  -1.109650      3.989913 
1 1 1 -8  -20 20 o 80.053  3.9888  864.145   85.529    0.0000    0.0000    864.145   85.529    ?       ?       80.053  3.9888  ?              ?        
1 1 1 -8  -20 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -20 22 o 67.615  4.0133  619.501   72.358    619.501   72.358    0.0000    0.0000    67.615  4.0133  ?       ?       ?              ?        
1 1 1 -8  -20 23 o 29.003  2.1583  114.425   16.476    115.466   24.177    113.522   22.513    29.112  3.1509  28.894  2.9504  0.2182579      4.316576 
1 1 1 -8  -20 24 o 15.618  2.9027  34.292    12.993    18.448    18.762    48.891    18.010    12.536  4.4516  18.700  3.7265  -6.163903      5.805474 
1 1 1 -8  -20 25 o 68.218  2.0143  626.541   36.793    647.793   52.769    606.433   51.328    69.344  2.8411  67.092  2.8562  2.252312       4.028622 
1 1 1 -8  -20 26 o 24.542  2.3860  83.142    15.206    79.634    22.181    86.252    20.887    24.008  3.5571  25.077  3.1811  -1.069990      4.772062 
1 1 1 -8  -20 27 o 11.894  3.0037  16.300    12.230    11.718    17.553    20.622    17.048    11.106  4.2403  12.681  4.2553  -1.574979      6.007305 
1 1 1 -8  -20 28 o 22.018  2.6464  68.821    14.829    55.092    21.492    81.298    20.488    19.738  4.1946  24.298  3.2279  -4.560188      5.292805 
1 1 1 -8  -20 29 o 27.195  2.3676  102.851   16.656    88.470    24.045    116.118   23.095    25.251  3.6620  29.139  3.0020  -3.888641      4.735183 
1 1 1 -8  -20 30 o 51.186  2.0221  355.594   27.604    363.052   39.655    348.584   38.449    51.705  2.8748  50.668  2.8446  1.036461       4.044245 
1 1 1 -8  -20 31 o 20.861  2.8847  62.859    15.457    46.102    22.201    78.624    21.534    17.941  4.5986  23.781  3.4840  -5.840416      5.769370 
1 1 1 -8  -20 32 o 49.331  2.0855  331.231   27.399    353.640   39.413    310.271   38.117    50.964  2.8992  47.699  2.9987  3.265221       4.171097 
1 1 1 -8  -20 33 o 22.802  2.9874  77.719    17.319    119.740   24.584    36.311    24.404    29.479  3.1629  16.124  5.0689  13.35501       5.974754 
1 1 1 -8  -20 34 o 27.036  2.6524  102.382   18.636    111.804   26.654    93.373    26.065    28.320  3.5948  25.752  3.9011  2.568857       5.304798 
1 1 1 -8  -20 35 o 12.256  3.3076  15.334    15.146    11.882    21.106    18.998    21.749    11.658  4.5941  12.853  4.7598  -1.195225      6.615278 
1 1 1 -8  -20 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -20 37 o 37.901  2.4100  201.415   24.051    179.835   34.265    222.373   33.768    35.776  3.6259  40.025  3.1758  -4.249886      4.820040 
1 1 1 -8  -20 38 o 9.5751  2.9975  -4.5772   15.185    -5.9425   20.897    -3.0497   22.104    9.2870  4.1412  9.8632  4.3350  -0.5762215     5.995096 
1 1 1 -8  -20 39 o 11.128  3.2410  8.3859    15.580    9.2951    21.365    7.3534    22.768    11.126  4.5391  11.130  4.6274  -0.3538132E-02 6.482019 
1 1 1 -8  -20 40 o 12.124  3.3313  13.024    16.879    28.854    22.599    -6.9479   25.384    14.193  4.8969  10.054  4.5178  4.138959       6.662597 
1 1 1 -8  -20 41 o 23.243  3.5197  84.274    21.258    76.755    29.517    92.376    30.640    22.061  5.0977  24.426  4.8544  -2.364531      7.039308 
1 1 1 -8  -20 42 o 44.977  2.6869  296.895   31.904    265.990   44.961    328.239   45.279    42.389  4.0075  47.565  3.5803  -5.175652      5.373812 
1 1 1 -8  -20 43 o 10.197  3.0757  -7.9204   17.186    21.706    23.651    -41.0645  25.015    12.841  4.9174  7.5528  3.6959  5.287793       6.151452 
1 1 1 -8  -20 44 o 24.853  3.5953  101.557   23.148    125.695   32.487    76.667    32.989    28.530  4.3923  21.177  5.6931  7.353004       7.190547 
1 1 1 -8  -20 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -20 46 o 32.503  3.2962  170.270   27.610    144.684   37.939    199.080   40.258    29.517  4.9756  35.488  4.3247  -5.971230      6.592387 
1 1 1 -8  -20 47 o 22.955  4.0319  100.113   25.083    116.645   34.549    81.687    36.473    25.762  5.1864  20.149  6.1746  5.613132       8.063760 
1 1 1 -8  -19 1  o 140.672 2.9998  2666.71   112.951   2564.12   160.182   2768.18   159.296   137.962 4.3348  143.382 4.1478  -5.420105      5.999545 
1 1 1 -8  -19 2  o 43.849  1.9140  259.053   22.348    273.895   31.805    244.580   31.408    45.100  2.6445  42.598  2.7677  2.502464       3.827978 
1 1 1 -8  -19 3  o 183.768 3.6441  4555.53   179.311   4707.67   254.465   4405.48   252.713   186.833 5.0849  180.703 5.2212  6.130005       7.288200 
1 1 1 -8  -19 4  o 113.840 2.6026  1741.60   79.327    1806.52   112.709   1677.87   111.670   115.947 3.6292  111.732 3.7314  4.215294       5.205215 
1 1 1 -8  -19 5  o 138.053 2.8926  2562.91   106.920   2654.60   151.802   2472.64   150.620   140.511 4.0335  135.594 4.1472  4.916412       5.785139 
1 1 1 -8  -19 6  o 187.694 3.7365  4748.99   187.838   4813.24   266.142   4685.22   265.147   188.965 5.2583  186.423 5.3100  2.541809       7.473016 
1 1 1 -8  -19 7  o 72.931  2.0544  713.655   40.119    690.186   56.449    737.610   57.030    71.717  2.9386  74.144  2.8717  -2.426285      4.108810 
1 1 1 -8  -19 8  o 49.649  1.9096  331.558   25.295    327.426   35.368    335.884   36.190    49.333  2.6868  49.965  2.7144  -0.6326714     3.819231 
1 1 1 -8  -19 9  o 147.880 3.0616  2941.26   121.255   2991.35   171.368   2891.05   171.593   149.147 4.2897  146.614 4.3695  2.533005       6.123256 
1 1 1 -8  -19 10 o 70.487  2.0138  666.215   38.009    646.456   53.063    687.036   54.469    69.414  2.8540  71.560  2.8418  -2.146034      4.027538 
1 1 1 -8  -19 11 o 86.822  2.1542  1011.19   50.067    963.902   70.072    1060.51   71.563    84.747  3.0870  88.898  3.0054  -4.150635      4.308367 
1 1 1 -8  -19 12 o 108.519 2.4714  1581.18   71.826    1546.78   100.869   1616.57   102.300   107.320 3.5090  109.717 3.4811  -2.396805      4.942785 
1 1 1 -8  -19 13 o 180.804 3.6187  4406.39   175.064   4161.19   246.845   4654.52   248.318   175.714 5.2448  185.895 4.9872  -10.18050      7.237372 
1 1 1 -8  -19 14 o 83.807  2.1104  942.940   47.356    960.429   66.521    924.969   67.431    84.598  2.9357  83.016  3.0325  1.582047       4.220727 
1 1 1 -8  -19 15 o 87.072  2.1672  1017.39   50.520    974.219   70.832    1062.09   72.077    85.190  3.1042  88.954  3.0251  -3.764191      4.334448 
1 1 1 -8  -19 16 o 74.189  2.0237  738.446   40.203    714.140   56.367    763.612   57.356    72.946  2.8849  75.433  2.8388  -2.486916      4.047397 
1 1 1 -8  -19 17 o 164.354 3.3074  3639.16   145.572   3548.00   205.436   3731.10   206.306   162.276 4.7264  166.432 4.6279  -4.155350      6.614897 
1 1 1 -8  -19 18 o 68.350  1.9792  627.048   36.234    622.188   51.090    631.966   51.397    68.083  2.8016  68.616  2.7965  -0.5331650     3.958470 
1 1 1 -8  -19 19 o 50.782  1.8963  347.164   25.695    339.233   36.381    355.057   36.295    50.198  2.7159  51.366  2.6471  -1.167191      3.792502 
1 1 1 -8  -19 20 o 82.398  2.1430  912.350   47.283    889.438   67.007    935.075   66.732    81.364  3.0747  83.433  2.9861  -2.068863      4.286089 
1 1 1 -8  -19 21 o 51.126  1.9081  352.172   26.020    344.213   37.161    359.828   36.446    50.551  2.7549  51.700  2.6407  -1.148983      3.816122 
1 1 1 -8  -19 22 o 97.173  2.3290  1270.02   60.612    1293.75   86.296    1246.92   85.153    98.070  3.2852  96.276  3.3021  1.793282       4.657957 
1 1 1 -8  -19 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -19 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -19 25 o 14.385  3.1668  27.983    13.504    24.886    20.531    30.345    17.928    13.954  4.6698  14.815  4.2786  -0.8609104     6.333556 
1 1 1 -8  -19 26 o 81.667  2.1696  899.133   47.436    888.808   67.940    908.954   66.259    81.200  3.1238  82.134  3.0119  -0.9338837     4.339295 
1 1 1 -8  -19 27 o 12.335  2.9672  16.915    12.486    29.697    18.003    5.0691    17.331    14.659  4.3032  10.010  4.0866  4.648473       5.934441 
1 1 1 -8  -19 28 o 61.386  2.0411  510.200   33.420    480.719   47.910    538.140   46.642    59.596  3.0111  63.175  2.7564  -3.578594      4.082230 
1 1 1 -8  -19 29 o 36.339  2.1530  180.106   20.704    173.995   30.079    185.608   28.542    35.723  3.1768  36.956  2.9069  -1.233513      4.306023 
1 1 1 -8  -19 30 o 72.231  2.1339  706.362   41.270    697.706   58.901    714.711   57.844    71.784  3.0634  72.677  2.9715  -0.8929138     4.267788 
1 1 1 -8  -19 31 o 43.042  2.1067  251.922   23.973    291.465   34.674    215.712   33.181    46.328  2.8076  39.756  3.1416  6.572262       4.213316 
1 1 1 -8  -19 32 o 40.124  2.1329  219.743   22.729    218.016   32.842    221.331   31.488    39.953  3.0931  40.295  2.9377  -0.3423615     4.265779 
1 1 1 -8  -19 33 o 40.390  2.1829  222.779   23.377    244.373   33.699    202.748   32.457    42.309  2.9930  38.470  3.1783  3.838905       4.365742 
1 1 1 -8  -19 34 f 32.358  2.3847  144.475   20.324    155.932   29.120    133.594   28.379    33.648  3.2725  31.067  3.4697  2.581091       4.769450 
1 1 1 -8  -19 35 o 42.441  2.2589  247.481   25.482    250.736   36.572    244.410   35.526    42.704  3.2210  42.177  3.1679  0.5273132      4.517786 
1 1 1 -8  -19 36 o 69.796  2.2990  668.467   42.966    690.950   61.196    646.608   60.341    70.969  3.2193  68.622  3.2829  2.347549       4.597978 
1 1 1 -8  -19 37 o 15.416  5.0597  33.351    24.139    33.351    24.139    0.0000    0.0000    15.416  5.0597  ?       ?       ?              ?        
1 1 1 -8  -19 38 o 9.7240  2.9891  -1.4256   14.541    1.8544    19.656    -5.3909   21.612    9.9068  4.2190  9.5413  4.2355  0.3655596      5.978233 
1 1 1 -8  -19 39 o 31.735  2.7852  144.398   23.162    145.101   32.551    143.676   32.964    31.835  3.8990  31.635  3.9782  0.1994038      5.570302 
1 1 1 -8  -19 40 f 44.680  2.5072  283.273   29.750    278.342   41.489    288.493   42.683    44.292  3.5264  45.069  3.5650  -0.7771645     5.014421 
1 1 1 -8  -19 41 o 29.826  2.9023  131.756   22.327    148.867   31.342    114.128   31.813    32.065  3.7184  27.587  4.4573  4.477785       5.804644 
1 1 1 -8  -19 42 o 12.333  3.4536  15.874    17.059    8.8953    23.154    24.160    25.230    11.180  4.6589  13.487  5.0994  -2.307041      6.907158 
1 1 1 -8  -19 43 o 29.785  3.3437  139.985   25.024    174.403   35.018    104.071   35.772    34.314  3.8782  25.255  5.4481  9.058746       6.687474 
1 1 1 -8  -19 44 o 11.444  3.4005  4.4612    18.368    -11.7297  24.537    25.098    27.702    9.2674  4.2699  13.621  5.2935  -4.353455      6.800976 
1 1 1 -8  -19 45 o 21.299  8.6503  107.175   77.153    0.0000    0.0000    107.175   77.153    ?       ?       21.299  8.6503  ?              ?        
1 1 1 -8  -19 46 o 26.746  3.7374  120.200   25.770    114.203   35.065    127.243   38.000    26.095  5.1994  27.398  5.3703  -1.302576      7.474883 
1 1 1 -8  -19 47 f 14.873  3.9480  35.040    22.237    15.539    29.775    59.634    33.439    12.131  5.1801  17.614  5.9592  -5.482983      7.895955 
1 1 1 -8  -18 1  o 41.624  1.8792  233.917   20.746    259.931   29.431    208.226   29.248    43.952  2.5104  39.296  2.7970  4.655403       3.758381 
1 1 1 -8  -18 2  f 104.148 2.4307  1456.48   67.803    1450.45   96.342    1462.40   95.441    103.933 3.4608  104.364 3.4142  -0.4309845     4.861494 
1 1 1 -8  -18 3  o 80.683  2.1023  873.366   45.431    882.914   64.540    863.988   63.961    81.120  2.9704  80.246  2.9758  0.8744125      4.204562 
1 1 1 -8  -18 4  o 163.260 3.3384  3585.55   145.968   3658.36   207.031   3513.57   205.835   164.914 4.6869  161.607 4.7552  3.306946       6.676788 
1 1 1 -8  -18 5  o 170.536 3.4196  3913.08   156.146   4046.53   221.409   3781.04   220.242   173.440 4.7660  167.632 4.9052  5.808014       6.839290 
1 1 1 -8  -18 6  o 85.950  2.1536  991.148   49.575    977.377   70.079    1004.94   70.140    85.351  3.0654  86.549  3.0256  -1.197250      4.307107 
1 1 1 -8  -18 7  o 139.004 2.9000  2596.46   107.935   2678.43   152.775   2514.77   152.510   141.202 4.0395  136.807 4.1620  4.394821       5.799956 
1 1 1 -8  -18 8  o 267.516 5.0419  9677.79   361.154   9965.71   511.016   9390.48   510.482   271.529 7.0263  263.504 7.2328  8.025116       10.08377 
1 1 1 -8  -18 9  o 62.497  1.9480  523.590   32.562    485.732   45.490    563.369   46.630    60.179  2.8222  64.815  2.6860  -4.635685      3.896044 
1 1 1 -8  -18 10 o 174.047 3.5151  4075.71   163.867   4060.23   231.281   4091.32   232.206   173.715 4.9707  174.379 4.9715  -0.6636353     7.030203 
1 1 1 -8  -18 11 f 69.484  1.9780  647.175   36.659    569.966   50.947    730.073   52.790    65.185  2.9180  73.784  2.6712  -8.599045      3.955990 
1 1 1 -8  -18 12 o 134.725 2.8516  2438.27   102.900   2412.62   144.925   2464.35   146.128   134.010 4.0375  135.440 4.0281  -1.430069      5.703260 
1 1 1 -8  -18 13 o 116.278 2.5580  1815.16   79.649    1758.42   112.014   1873.18   113.277   114.437 3.6544  118.118 3.5804  -3.681564      5.116061 
1 1 1 -8  -18 14 o 111.259 2.4844  1661.69   74.023    1620.46   104.156   1703.77   105.222   109.862 3.5395  112.655 3.4871  -2.792763      4.968731 
1 1 1 -8  -18 15 o 48.576  1.8490  317.599   23.949    325.982   33.531    308.869   34.219    49.238  2.5512  47.914  2.6770  1.323441       3.698012 
1 1 1 -8  -18 16 o 148.216 3.0529  2953.63   121.191   2910.69   170.992   2996.97   171.790   147.130 4.3389  149.301 4.2958  -2.170853      6.105780 
1 1 1 -8  -18 17 o 104.599 2.3668  1468.86   66.305    1446.79   93.513    1491.18   94.027    103.808 3.3632  105.391 3.3309  -1.582756      4.733502 
1 1 1 -8  -18 18 o 64.101  1.9361  551.268   33.239    543.870   46.963    558.694   47.052    63.670  2.7538  64.533  2.7221  -0.8631630     3.872155 
1 1 1 -8  -18 19 o 89.389  2.1994  1072.79   52.639    1111.02   74.681    1035.06   74.206    90.975  3.0648  87.804  3.1553  3.171196       4.398699 
1 1 1 -8  -18 20 o 143.801 2.9642  2782.51   114.171   2783.97   161.810   2781.06   161.117   143.837 4.1999  143.765 4.1841  0.7267761E-01  5.928406 
1 1 1 -8  -18 21 o 144.934 3.0239  2828.57   117.384   2813.57   166.416   2843.43   165.600   144.548 4.2983  145.321 4.2544  -0.7731781     6.047757 
1 1 1 -8  -18 22 o 89.057  2.2118  1065.70   52.750    1060.61   75.188    1070.64   74.025    88.844  3.1596  89.270  3.0959  -0.4251480     4.423519 
1 1 1 -8  -18 23 f 202.933 3.9866  5580.95   216.671   5504.14   307.084   5657.10   305.759   201.521 5.6892  204.345 5.5863  -2.824371      7.973301 
1 1 1 -8  -18 24 o 57.036  1.9964  438.720   30.363    417.820   43.795    458.064   42.132    55.677  2.9472  58.395  2.6937  -2.717815      3.992711 
1 1 1 -8  -18 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -18 26 o 14.015  2.7385  21.466    13.693    52.342    19.095    -11.2160  19.646    19.361  3.8178  8.6681  3.9271  10.69322       5.477059 
1 1 1 -8  -18 27 o 72.170  2.1030  701.235   40.636    709.115   58.438    693.856   56.545    72.558  3.0069  71.782  2.9410  0.7760391      4.206044 
1 1 1 -8  -18 28 o 74.149  2.1391  741.409   42.468    738.808   60.817    743.883   59.329    74.015  3.0677  74.283  2.9819  -0.2679977     4.278115 
1 1 1 -8  -18 29 o 26.979  2.4454  99.670    17.213    110.185   25.155    90.412    23.603    28.348  3.3796  25.610  3.5352  2.737944       4.890721 
1 1 1 -8  -18 30 o 100.274 2.4635  1363.11   66.159    1387.88   94.029    1338.83   93.103    101.182 3.4696  99.368  3.4981  1.814011       4.926902 
1 1 1 -8  -18 31 o 30.866  2.3471  130.598   18.974    149.193   27.366    113.383   26.330    33.045  3.1291  28.688  3.4991  4.356556       4.694156 
1 1 1 -8  -18 32 o 53.826  2.0903  393.623   30.017    396.844   42.832    390.515   42.079    54.039  2.9706  53.613  2.9415  0.4262657      4.180540 
1 1 1 -8  -18 33 o 31.190  2.3594  134.082   19.363    129.523   27.933    138.300   26.867    30.641  3.4643  31.739  3.2041  -1.098021      4.718856 
1 1 1 -8  -18 34 o 29.577  2.5416  121.313   19.655    132.932   28.108    110.195   27.495    31.024  3.4405  28.131  3.7419  2.892746       5.083193 
1 1 1 -8  -18 35 o 42.514  2.2863  248.092   25.779    269.630   36.859    227.469   36.068    44.365  3.1217  40.663  3.3411  3.701607       4.572550 
1 1 1 -8  -18 36 o 23.169  3.0650  77.039    18.305    81.281    25.637    72.628    26.144    23.891  4.1573  22.448  4.5048  1.443535       6.129914 
1 1 1 -8  -18 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -18 38 o 26.098  2.9389  98.740    19.608    114.117   27.343    82.461    28.133    28.435  3.6761  23.762  4.5863  4.672916       5.877771 
1 1 1 -8  -18 39 o 54.584  2.3483  415.212   34.168    409.736   48.112    420.783   48.533    54.215  3.3293  54.954  3.3127  -0.7389565     4.696641 
1 1 1 -8  -18 40 o 56.924  2.4398  456.328   36.974    479.563   52.103    432.758   52.476    58.475  3.3405  55.373  3.5570  3.101952       4.879643 
1 1 1 -8  -18 41 o 23.679  3.3221  86.110    20.267    104.501   28.348    66.880    28.986    26.670  4.0995  20.687  5.2288  5.983456       6.644229 
1 1 1 -8  -18 42 o 18.049  3.6799  51.864    19.032    60.851    26.482    42.264    27.371    19.653  5.0145  16.446  5.3873  3.207172       7.359856 
1 1 1 -8  -18 43 o 50.123  2.6205  367.302   34.764    399.749   48.840    333.981   49.493    52.616  3.4853  47.630  3.9141  4.985291       5.240933 
1 1 1 -8  -18 44 o 9.5667  3.0892  -9.3601   17.657    -4.8360   23.794    -14.9047  26.341    9.7304  4.3730  9.4030  4.3645  0.3273916      6.178331 
1 1 1 -8  -18 45 o 11.441  3.4908  5.9540    19.372    0.2466    25.703    13.461    29.477    10.503  4.6428  12.380  5.2142  -1.876440      6.981668 
1 1 1 -8  -18 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -18 47 o 17.226  3.5066  52.739    16.902    42.587    30.958    57.050    20.174    15.527  5.6909  18.925  4.0985  -3.398027      7.013168 
1 1 1 -8  -18 48 f 6.4959  2.2573  -24.1457  12.036    -49.8372  25.188    -16.5441  13.701    6.9564  3.4593  6.0354  2.9009  0.9210253      4.514627 
1 1 1 -8  -17 1  o 65.182  1.9817  569.896   34.595    564.538   49.080    575.187   48.771    64.877  2.8244  65.487  2.7804  -0.6105347     3.963337 
1 1 1 -8  -17 2  o 44.564  1.8630  267.288   22.115    252.349   31.110    282.547   31.443    43.296  2.6960  45.832  2.5717  -2.536419      3.725916 
1 1 1 -8  -17 3  o 66.492  1.9707  592.980   35.094    582.622   49.650    603.321   49.611    65.911  2.8123  67.073  2.7615  -1.162308      3.941451 
1 1 1 -8  -17 4  o 161.022 3.2927  3485.67   141.985   3572.69   201.338   3399.58   200.262   163.027 4.6108  159.017 4.7018  4.010468       6.585340 
1 1 1 -8  -17 5  o 153.931 3.1562  3184.26   130.130   3207.89   184.356   3160.79   183.708   154.502 4.4549  153.361 4.4722  1.140366       6.312418 
1 1 1 -8  -17 6  o 150.319 3.0808  3036.91   123.969   3163.48   175.630   2911.23   175.010   153.451 4.2731  147.187 4.4392  6.263382       6.161618 
1 1 1 -8  -17 7  o 103.441 2.4087  1440.57   66.274    1236.97   93.127    1649.51   94.337    95.997  3.6218  110.884 3.1763  -14.88684      4.817315 
1 1 1 -8  -17 8  o 194.657 3.8171  5100.90   198.974   5221.37   281.313   4980.31   281.471   196.969 5.3322  192.345 5.4634  4.623993       7.634176 
1 1 1 -8  -17 9  f 167.520 3.3771  3773.15   151.525   3726.49   213.849   3820.19   214.733   166.478 4.7958  168.563 4.7561  -2.085464      6.754240 
1 1 1 -8  -17 10 o 200.211 3.9453  5397.69   211.527   5260.86   298.505   5535.71   299.789   197.651 5.6385  202.771 5.5198  -5.120544      7.890531 
1 1 1 -8  -17 11 o 65.501  1.9454  574.606   34.100    542.438   47.358    609.242   49.142    63.599  2.7800  67.404  2.7219  -3.804462      3.890710 
1 1 1 -8  -17 12 o 163.659 3.2798  3600.64   143.763   3538.45   202.733   3663.54   203.896   162.234 4.6654  165.084 4.6112  -2.849915      6.559692 
1 1 1 -8  -17 13 o 63.053  1.9153  532.515   32.312    498.723   44.938    568.691   46.495    60.983  2.7512  65.123  2.6655  -4.140095      3.830661 
1 1 1 -8  -17 14 o 166.343 3.3309  3720.55   148.404   3689.33   209.427   3752.03   210.324   165.641 4.7204  167.045 4.7007  -1.404282      6.661763 
1 1 1 -8  -17 15 o 116.978 2.5849  1837.15   80.965    1775.31   114.038   1900.00   114.971   114.989 3.7026  118.967 3.6080  -3.977325      5.169816 
1 1 1 -8  -17 16 o 37.676  1.9028  191.265   19.072    187.747   26.668    194.946   27.285    37.320  2.6858  38.032  2.6960  -0.7114525     3.805505 
1 1 1 -8  -17 17 o 162.505 3.2726  3551.59   142.438   3588.45   201.400   3514.70   201.476   163.353 4.6030  161.658 4.6530  1.694504       6.545127 
1 1 1 -8  -17 18 o 144.244 2.9874  2796.57   115.421   2808.95   163.451   2784.26   163.010   144.563 4.2213  143.925 4.2285  0.6377411      5.974891 
1 1 1 -8  -17 19 o 55.902  1.8845  419.578   28.188    404.370   40.262    434.199   39.478    54.905  2.7377  56.899  2.5904  -1.993809      3.768983 
1 1 1 -8  -17 20 o 89.065  2.1956  1064.53   52.373    1088.00   74.535    1041.64   73.606    90.036  3.0907  88.094  3.1194  1.941170       4.391292 
1 1 1 -8  -17 21 o 45.241  1.9431  276.843   23.325    252.692   33.499    299.569   32.496    43.296  2.9055  47.187  2.5809  -3.890858      3.886275 
1 1 1 -8  -17 22 o 73.504  2.0367  724.711   40.085    747.774   57.522    702.937   55.890    74.640  2.8772  72.367  2.8834  2.272667       4.073363 
1 1 1 -8  -17 23 o 110.834 2.4986  1652.42   74.125    1606.68   105.732   1696.64   103.949   109.315 3.6111  112.353 3.4542  -3.037613      4.997150 
1 1 1 -8  -17 24 o 176.528 3.5637  4210.85   168.465   4134.37   239.037   4286.32   237.462   174.916 5.1021  178.140 4.9767  -3.223953      7.127314 
1 1 1 -8  -17 25 o 59.554  2.0224  476.757   32.223    471.358   46.564    481.718   44.637    59.225  2.9353  59.883  2.7829  -0.6575775     4.044845 
1 1 1 -8  -17 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -17 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -17 28 o 19.767  2.9284  55.022    15.008    49.299    21.448    60.514    21.008    18.707  4.3609  20.827  3.9094  -2.119806      5.856750 
1 1 1 -8  -17 29 o 13.169  3.0951  21.704    12.976    28.937    18.736    15.037    17.988    14.553  4.4186  11.786  4.3352  2.766966       6.190160 
1 1 1 -8  -17 30 o 71.560  2.1272  691.559   40.754    675.879   58.060    706.789   57.220    70.750  3.0638  72.371  2.9519  -1.620934      4.254460 
1 1 1 -8  -17 31 o 8.1797  2.5640  -5.2701   11.159    -5.3644   15.553    -5.1701   16.019    8.0990  3.5943  8.2603  3.6576  -0.1612749     5.128065 
1 1 1 -8  -17 32 o 26.674  2.4766  98.633    17.173    89.230    24.484    107.738   24.092    25.348  3.7166  28.000  3.2742  -2.652311      4.953164 
1 1 1 -8  -17 33 f 14.905  2.9790  29.750    14.224    51.189    19.527    5.5186    20.760    19.009  3.9635  10.802  4.4483  8.207406       5.957915 
1 1 1 -8  -17 34 o 85.180  2.3818  988.825   54.317    1024.51   76.947    953.381   76.684    86.736  3.3121  83.624  3.4237  3.112595       4.763530 
1 1 1 -8  -17 35 o 61.836  2.2328  522.899   36.736    578.196   52.014    467.861   51.891    65.211  2.9779  58.462  3.3276  6.748928       4.465535 
1 1 1 -8  -17 36 o 46.793  2.2589  300.626   28.094    280.856   39.649    320.559   39.812    45.204  3.2975  48.382  3.0882  -3.178600      4.517772 
1 1 1 -8  -17 37 o 60.851  2.2716  508.554   36.905    532.901   52.051    483.942   52.334    62.402  3.1142  59.300  3.3080  3.101627       4.543250 
1 1 1 -8  -17 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -17 39 o 32.345  2.7018  148.522   22.880    156.595   31.901    139.970   32.835    33.347  3.6302  31.344  4.0025  2.003109       5.403565 
1 1 1 -8  -17 40 o 31.633  2.8245  143.539   23.284    127.868   32.409    160.258   33.474    29.726  4.1864  33.540  3.7928  -3.814327      5.648985 
1 1 1 -8  -17 41 o 47.611  2.5226  322.169   31.887    334.385   44.590    309.384   45.617    48.630  3.4456  46.593  3.6854  2.037151       5.045213 
1 1 1 -8  -17 42 o 28.526  3.0445  121.498   22.417    126.292   30.684    116.009   32.831    29.323  4.0120  27.729  4.5803  1.593372       6.088931 
1 1 1 -8  -17 43 o 24.390  3.4964  93.291    21.998    94.118    29.965    92.324    32.396    24.675  4.7057  24.105  5.1725  0.5697556      6.992743 
1 1 1 -8  -17 44 o 14.597  3.8178  31.469    20.070    37.991    26.446    22.610    30.821    15.522  5.2994  13.672  5.4971  1.849526       7.635579 
1 1 1 -8  -17 45 o 18.796  3.2984  59.879    16.211    44.025    29.035    67.060    19.541    16.355  5.5529  21.238  3.5612  -4.883045      6.596749 
1 1 1 -8  -17 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -17 47 f 5.9757  2.0913  -29.1716  11.317    -48.7709  21.706    -21.8551  13.262    6.3764  3.1773  5.5751  2.7201  0.8013310      4.182629 
1 1 1 -8  -17 48 o 31.720  2.9286  160.555   22.694    159.248   38.767    161.236   27.992    30.646  4.8870  32.794  3.2287  -2.148220      5.857257 
1 1 1 -8  -16 1  o 128.616 2.7699  2221.28   95.415    2210.06   135.467   2232.33   134.413   128.291 3.9423  128.941 3.8919  -0.6490479     5.539713 
1 1 1 -8  -16 2  o 71.442  2.0414  685.139   39.017    648.601   55.287    721.393   55.072    69.540  2.9682  73.345  2.8033  -3.804344      4.082753 
1 1 1 -8  -16 3  o 193.274 3.7722  5026.62   195.279   5023.75   276.734   5029.47   275.602   193.217 5.3472  193.331 5.3222  -0.1141815     7.544442 
1 1 1 -8  -16 4  o 90.154  2.2044  1090.23   53.231    1100.31   75.490    1080.27   75.071    90.569  3.1119  89.739  3.1232  0.8291168      4.408876 
1 1 1 -8  -16 5  o 209.633 4.0264  5918.94   225.942   6172.75   320.070   5666.83   318.992   214.136 5.5804  205.130 5.8058  9.006424       8.052855 
1 1 1 -8  -16 6  o 185.853 3.6539  4646.61   181.869   4735.17   257.388   4558.31   257.017   187.628 5.1215  184.077 5.2128  3.551712       7.307790 
1 1 1 -8  -16 7  o 159.029 3.1958  3398.81   136.095   3308.14   192.248   3489.90   192.688   156.897 4.5747  161.162 4.4638  -4.265823      6.391613 
1 1 1 -8  -16 8  o 195.277 3.7899  5131.17   198.227   5129.53   280.097   5132.82   280.575   195.246 5.3559  195.308 5.3634  -0.6123352E-01 7.579725 
1 1 1 -8  -16 9  o 42.530  1.7756  243.173   20.128    233.821   28.080    253.057   28.869    41.686  2.5268  43.375  2.4954  -1.689163      3.551274 
1 1 1 -8  -16 10 o 101.892 2.3226  1392.81   63.383    1383.47   89.086    1402.38   90.199    101.547 3.2753  102.238 3.2938  -0.6905823     4.645116 
1 1 1 -8  -16 11 o 132.731 2.7448  2365.23   97.580    2334.96   137.427   2396.01   138.578   131.874 3.8907  133.588 3.8729  -1.714325      5.489701 
1 1 1 -8  -16 12 o 141.047 2.8988  2671.86   109.495   2601.22   154.262   2743.58   155.442   139.164 4.1385  142.929 4.0603  -3.765137      5.797690 
1 1 1 -8  -16 13 o 233.839 4.5176  7374.48   282.951   7327.94   399.724   7421.21   400.582   233.096 6.4023  234.582 6.3754  -1.485519      9.035239 
1 1 1 -8  -16 14 o 70.624  1.9294  668.722   36.494    657.797   51.193    680.011   52.038    70.038  2.7289  71.211  2.7282  -1.172768      3.858778 
1 1 1 -8  -16 15 o 85.831  2.1142  988.132   48.604    979.552   68.444    996.859   69.031    85.455  2.9902  86.207  2.9896  -0.7516479     4.228402 
1 1 1 -8  -16 16 o 201.767 3.9716  5483.27   214.624   5549.73   303.539   5416.83   303.510   202.996 5.5826  200.537 5.6505  2.459076       7.943176 
1 1 1 -8  -16 17 o 73.567  2.0063  725.895   39.532    722.973   56.046    728.788   55.767    73.419  2.8500  73.715  2.8245  -0.2956619     4.012524 
1 1 1 -8  -16 18 f 138.630 2.8782  2581.76   106.872   2592.29   151.503   2571.34   150.779   138.911 4.0719  138.349 4.0689  0.5621185      5.756405 
1 1 1 -8  -16 19 o 141.447 2.9348  2688.41   111.187   2690.40   157.786   2686.45   156.704   141.498 4.1632  141.397 4.1376  0.1009369      5.869611 
1 1 1 -8  -16 20 o 197.370 3.8392  5248.12   202.957   5286.25   287.776   5210.40   286.278   198.085 5.4239  196.656 5.4349  1.428543       7.678358 
1 1 1 -8  -16 21 o 193.360 3.7922  5038.00   196.397   5078.07   278.651   4998.44   276.852   194.125 5.3591  192.595 5.3668  1.529694       7.584326 
1 1 1 -8  -16 22 o 54.344  1.9231  396.269   27.918    405.827   40.584    387.682   38.465    54.930  2.7673  53.759  2.6714  1.171009       3.846290 
1 1 1 -8  -16 23 o 69.259  2.0394  644.672   37.768    624.362   54.482    663.461   52.402    68.202  2.9824  70.315  2.7824  -2.113350      4.078761 
1 1 1 -8  -16 24 o 74.770  2.1227  751.068   42.475    738.275   61.013    763.098   59.168    74.147  3.0721  75.392  2.9300  -1.245384      4.245345 
1 1 1 -8  -16 25 o 150.429 3.1103  3049.76   125.316   3084.31   177.965   3015.78   176.491   151.275 4.3922  149.583 4.4051  1.692825       6.220583 
1 1 1 -8  -16 26 o 43.165  2.0808  250.618   23.798    286.162   34.714    219.102   32.688    46.068  2.8269  40.261  3.0540  5.807281       4.161532 
1 1 1 -8  -16 27 f 47.607  3.8055  307.415   48.121    0.0000    0.0000    307.415   48.121    ?       ?       47.607  3.8055  ?              ?        
1 1 1 -8  -16 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -16 29 o 16.711  3.0309  39.323    13.652    36.364    19.598    42.112    19.028    16.124  4.4105  17.297  4.1584  -1.173391      6.061768 
1 1 1 -8  -16 30 f 35.125  2.2232  167.354   20.650    182.759   29.961    153.414   28.501    36.684  3.0776  33.566  3.2092  3.118126       4.446445 
1 1 1 -8  -16 31 o 36.085  2.1903  177.246   20.938    167.049   29.513    187.580   29.711    35.017  3.1813  37.154  3.0114  -2.136459      4.380600 
1 1 1 -8  -16 32 o 45.565  2.1033  281.847   25.524    288.918   36.212    274.866   35.981    46.141  2.9454  44.988  3.0033  1.152756       4.206545 
1 1 1 -8  -16 33 o 59.087  2.1366  473.768   33.701    504.678   47.894    443.455   47.429    61.059  2.9284  57.115  3.1120  3.944016       4.273243 
1 1 1 -8  -16 34 o 31.241  2.3865  134.314   19.631    126.940   27.582    141.882   27.945    30.343  3.4554  32.140  3.2926  -1.797005      4.772970 
1 1 1 -8  -16 35 o 87.183  2.4383  1037.23   56.936    1024.38   79.969    1050.43   81.080    86.636  3.4461  87.729  3.4505  -1.092705      4.876671 
1 1 1 -8  -16 36 o 42.986  2.3055  254.302   26.259    272.176   36.748    235.654   37.535    44.593  3.0959  41.379  3.4172  3.213875       4.611035 
1 1 1 -8  -16 37 o 27.270  2.7467  104.846   19.362    118.270   27.513    91.676    27.252    29.122  3.6041  25.419  4.1457  3.703590       5.493308 
1 1 1 -8  -16 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -16 39 o 65.041  2.3386  585.236   40.587    569.693   56.353    601.987   58.505    64.153  3.2906  65.928  3.3237  -1.775719      4.677126 
1 1 1 -8  -16 40 o 22.485  3.2819  74.569    19.138    58.092    26.263    93.224    27.946    19.647  4.9832  25.323  4.2723  -5.675814      6.563891 
1 1 1 -8  -16 41 o 46.844  2.4981  310.270   31.079    312.550   43.088    307.798   44.870    47.088  3.4402  46.601  3.6233  0.4867516      4.996280 
1 1 1 -8  -16 42 o 31.666  2.9153  146.040   23.933    124.282   32.601    171.471   35.245    28.952  4.3377  34.380  3.8962  -5.428278      5.830561 
1 1 1 -8  -16 43 o 21.174  3.0510  68.864    16.041    64.879    27.035    71.030    19.929    20.272  5.0082  22.076  3.4860  -1.804523      6.101981 
1 1 1 -8  -16 44 o 13.832  3.2696  29.534    14.687    15.688    25.637    36.298    17.919    12.312  4.9913  15.352  4.2247  -3.039701      6.539207 
1 1 1 -8  -16 45 o 18.963  3.4112  50.978    16.825    84.266    29.968    35.656    20.331    22.865  5.0299  15.060  4.6092  7.804979       6.822329 
1 1 1 -8  -16 46 f 22.509  6.6339  94.291    42.711    0.0000    0.0000    94.291    42.711    ?       ?       22.509  6.6339  ?              ?        
1 1 1 -8  -16 47 o 36.903  2.7242  208.307   24.972    200.081   41.963    212.817   31.073    35.540  4.5097  38.265  3.0573  -2.725346      5.448338 
1 1 1 -8  -16 48 f 18.214  3.5754  50.756    17.169    84.777    31.569    36.465    20.460    21.726  5.4377  14.702  4.6438  7.023994       7.150786 
1 1 1 -8  -15 1  o 119.440 2.6284  1915.78   84.045    1854.40   119.280   1976.29   118.439   117.534 3.7889  121.346 3.6440  -3.812080      5.256863 
1 1 1 -8  -15 2  o 40.903  1.7777  225.150   19.381    226.745   27.331    223.537   27.488    41.051  2.4975  40.756  2.5305  0.2950974      3.555451 
1 1 1 -8  -15 3  o 69.518  1.9444  648.011   36.201    660.845   51.307    635.287   51.086    70.204  2.7285  68.832  2.7709  1.372253       3.888791 
1 1 1 -8  -15 4  o 76.639  2.0166  787.587   41.393    797.347   58.671    777.914   58.407    77.112  2.8406  76.165  2.8630  0.9462662      4.033110 
1 1 1 -8  -15 5  o 206.979 4.0052  5769.21   221.807   6089.04   314.168   5451.36   313.198   212.729 5.5138  201.229 5.8108  11.49924       8.010453 
1 1 1 -8  -15 6  o 107.550 2.4052  1551.85   69.285    1539.32   97.855    1564.43   98.111    107.115 3.4107  107.986 3.3921  -0.8710938     4.810322 
1 1 1 -8  -15 7  o 205.435 3.9577  5679.76   217.739   5796.19   307.885   5563.26   307.974   207.552 5.5383  203.318 5.6552  4.233444       7.915413 
1 1 1 -8  -15 8  o 233.076 4.4660  7320.46   278.770   7453.97   394.033   7186.67   394.447   235.218 6.2542  230.935 6.3769  4.283020       8.931977 
1 1 1 -8  -15 9  o 174.700 3.4516  4102.53   161.476   3994.13   227.844   4211.92   228.882   172.374 4.9349  177.026 4.8271  -4.651291      6.903173 
1 1 1 -8  -15 10 o 108.700 2.3804  1585.00   69.298    1550.75   97.502    1619.96   98.511    107.512 3.3859  109.887 3.3469  -2.375198      4.760880 
1 1 1 -8  -15 11 o 245.694 4.6872  8139.92   308.457   8142.35   435.833   8137.48   436.617   245.732 6.6217  245.655 6.6357  0.7702637E-01  9.374379 
1 1 1 -8  -15 12 o 96.653  2.2288  1253.01   57.699    1247.59   81.214    1258.55   81.988    96.442  3.1440  96.864  3.1601  -0.4218750     4.457641 
1 1 1 -8  -15 13 f 89.783  2.1478  1081.10   51.650    1071.88   72.711    1090.51   73.382    89.396  3.0366  90.170  3.0383  -0.7734833     4.295646 
1 1 1 -8  -15 14 o 68.686  1.8530  632.554   34.089    635.702   48.163    629.394   48.256    68.858  2.6114  68.515  2.6296  0.3430023      3.705914 
1 1 1 -8  -15 15 o 130.319 2.7429  2280.25   95.744    2289.00   135.392   2271.49   135.412   130.570 3.8713  130.068 3.8868  0.5018311      5.485864 
1 1 1 -8  -15 16 o 24.877  2.0792  84.253    13.545    77.243    19.076    91.380    19.235    23.801  3.0634  25.952  2.8122  -2.150665      4.158442 
1 1 1 -8  -15 17 o 88.549  2.1458  1052.11   50.879    1031.50   72.310    1072.32   71.604    87.688  3.0787  89.411  2.9899  -1.722717      4.291629 
1 1 1 -8  -15 18 o 133.427 2.7925  2390.88   99.798    2409.58   141.704   2372.47   140.573   133.945 3.9497  132.910 3.9487  1.035339       5.585055 
1 1 1 -8  -15 19 o 118.479 2.5571  1884.20   81.095    1978.58   115.582   1792.70   113.809   121.405 3.5544  115.553 3.6771  5.852684       5.114177 
1 1 1 -8  -15 20 o 56.322  1.9133  424.531   28.832    450.858   41.842    400.729   39.786    57.982  2.6942  54.663  2.7174  3.318962       3.826609 
1 1 1 -8  -15 21 o 77.721  2.0922  811.117   43.505    791.481   62.556    829.511   60.544    76.806  3.0408  78.637  2.8745  -1.831230      4.184354 
1 1 1 -8  -15 22 o 121.666 2.6446  1988.42   86.165    1976.63   122.820   1999.86   120.914   121.307 3.7800  122.025 3.6995  -0.7183533     5.289125 
1 1 1 -8  -15 23 o 50.433  1.9798  342.538   26.598    337.220   38.513    347.387   36.779    50.050  2.8851  50.816  2.7119  -0.7663574     3.959584 
1 1 1 -8  -15 24 o 33.710  2.2705  155.822   19.973    135.725   29.257    173.363   27.334    31.593  3.5171  35.828  2.8725  -4.235165      4.541053 
1 1 1 -8  -15 25 o 77.324  2.1551  802.447   44.624    822.000   63.934    783.874   62.312    78.242  3.0507  76.406  3.0448  1.835640       4.310195 
1 1 1 -8  -15 26 o 74.734  2.1568  750.671   43.149    733.360   61.593    767.354   60.466    73.882  3.1124  75.585  2.9867  -1.702415      4.313624 
1 1 1 -8  -15 27 o 123.075 2.7163  2040.14   89.542    2045.38   127.069   2034.98   126.199   123.231 3.8497  122.920 3.8331  0.3104858      5.432565 
1 1 1 -8  -15 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -15 29 o 55.473  4.0848  418.046   60.267    418.046   60.267    0.0000    0.0000    55.473  4.0848  ?       ?       ?              ?        
1 1 1 -8  -15 30 o 108.301 2.5889  1584.66   75.094    1562.48   106.131   1606.89   106.269   107.536 3.6847  109.066 3.6377  -1.529739      5.177789 
1 1 1 -8  -15 31 o 46.596  2.0933  293.950   25.990    295.233   36.802    292.673   36.709    46.698  2.9575  46.493  2.9632  0.2046204      4.186617 
1 1 1 -8  -15 32 o 65.182  2.1517  574.206   37.557    588.248   53.037    560.081   53.191    65.990  3.0006  64.375  3.0848  1.614990       4.303470 
1 1 1 -8  -15 33 o 77.912  2.2733  822.850   47.423    837.146   66.584    808.132   67.559    78.614  3.1621  77.210  3.2668  1.403687       4.546537 
1 1 1 -8  -15 34 o 21.222  2.9227  65.314    15.910    84.787    22.194    44.731    22.819    24.741  3.4424  17.704  4.7243  7.036991       5.845472 
1 1 1 -8  -15 35 o 40.981  2.2293  229.982   24.234    240.479   33.838    218.930   34.723    41.979  3.0298  39.982  3.2710  1.997459       4.458611 
1 1 1 -8  -15 36 o 38.253  2.3561  201.993   23.775    217.242   33.016    185.569   34.264    39.830  3.1197  36.677  3.5315  3.152985       4.712117 
1 1 1 -8  -15 37 o 37.596  2.3506  194.693   23.407    192.587   32.370    197.001   33.886    37.401  3.2640  37.792  3.3834  -0.3914680     4.701172 
1 1 1 -8  -15 38 o 58.299  2.2977  467.370   35.722    464.899   49.763    469.996   51.311    58.159  3.2069  58.438  3.2915  -0.2791138     4.595443 
1 1 1 -8  -15 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -15 40 o 40.755  2.5426  233.587   27.362    238.539   37.397    227.882   40.141    41.317  3.4097  40.193  3.7728  1.124657       5.085300 
1 1 1 -8  -15 41 o 7.9570  2.6241  -16.8700  13.890    -8.3005   17.918    -29.7768  21.989    8.2788  3.7506  7.6352  3.6711  0.6435862      5.248297 
1 1 1 -8  -15 42 o 14.767  3.1983  32.022    13.335    32.643    23.240    31.717    16.282    14.919  4.9679  14.615  4.0294  0.3040028      6.396564 
1 1 1 -8  -15 43 o 10.136  2.9711  3.9963    12.653    16.010    22.037    -1.9117   15.454    12.016  4.7070  8.2571  3.6269  3.758773       5.942250 
1 1 1 -8  -15 44 o 21.613  3.1542  69.166    17.003    82.780    29.038    62.063    20.975    22.940  4.8761  20.286  4.0024  2.654148       6.308378 
1 1 1 -8  -15 45 o 28.042  2.8352  114.039   19.783    132.755   34.132    104.570   24.278    29.369  4.4808  26.715  3.4751  2.654310       5.670415 
1 1 1 -8  -15 46 o 20.082  3.3926  58.618    17.101    87.628    30.909    45.819    20.530    23.165  5.1179  17.000  4.4549  6.164745       6.785246 
1 1 1 -8  -15 47 o 21.197  3.5300  75.086    18.988    72.593    32.758    76.347    23.302    20.216  5.7668  22.178  4.0728  -1.961414      7.060019 
1 1 1 -8  -15 48 o 15.278  3.5953  36.928    16.540    54.363    28.670    28.231    20.250    17.311  5.5003  13.246  4.6316  4.065303       7.190600 
1 1 1 -8  -14 1  o 171.118 3.4353  3936.02   157.427   3871.28   223.155   4000.16   222.120   169.711 4.9092  172.525 4.8067  -2.814789      6.870527 
1 1 1 -8  -14 2  f 159.632 6.4256  3433.46   274.739   3433.46   274.739   0.0000    0.0000    159.632 6.4256  ?       ?       ?              ?        
1 1 1 -8  -14 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 7  o 175.805 6.9659  4166.65   328.019   0.0000    0.0000    4166.65   328.019   ?       ?       175.805 6.9659  ?              ?        
1 1 1 -8  -14 8  o 49.269  3.3336  327.067   43.734    0.0000    0.0000    327.067   43.734    ?       ?       49.269  3.3336  ?              ?        
1 1 1 -8  -14 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 14 o 215.604 4.1478  6258.17   239.531   6292.77   338.698   6223.56   338.799   216.204 5.8487  215.005 5.8831  1.198776       8.295672 
1 1 1 -8  -14 15 o 87.145  2.0944  1018.39   48.885    1034.05   69.413    1002.98   68.857    87.810  2.9513  86.480  2.9726  1.329872       4.188867 
1 1 1 -8  -14 16 o 58.483  1.8146  458.791   28.408    449.252   40.620    467.923   39.744    57.886  2.6198  59.079  2.5116  -1.193352      3.629253 
1 1 1 -8  -14 17 o 90.566  2.1596  1099.89   52.358    1151.81   74.705    1049.76   73.402    92.668  3.0097  88.464  3.0978  4.204170       4.319137 
1 1 1 -8  -14 18 o 240.976 4.6190  7835.05   298.072   8039.34   422.539   7632.69   420.543   244.122 6.4621  237.830 6.6017  6.291794       9.237994 
1 1 1 -8  -14 19 o 144.863 2.9729  2818.99   115.341   2871.97   164.094   2767.25   162.156   146.210 4.1901  143.516 4.2183  2.693161       5.945731 
1 1 1 -8  -14 20 o 208.758 4.0547  5871.82   226.719   5887.14   321.651   5856.70   319.617   209.026 5.7451  208.490 5.7234  0.5364075      8.109468 
1 1 1 -8  -14 21 o 165.341 3.3596  3676.43   148.774   3739.03   211.568   3615.20   209.247   166.735 4.7373  163.947 4.7651  2.788239       6.719240 
1 1 1 -8  -14 22 o 203.491 3.9831  5580.02   217.092   5616.86   308.003   5543.64   306.036   204.158 5.6325  202.824 5.6333  1.335083       7.966115 
1 1 1 -8  -14 23 f 100.971 2.4085  1368.61   65.127    1371.36   92.924    1365.95   91.306    101.069 3.4326  100.873 3.3794  0.1958389      4.816923 
1 1 1 -8  -14 24 f 135.082 2.9210  2453.28   105.678   2435.30   150.110   2470.95   148.800   134.587 4.1641  135.577 4.0976  -0.9898224     5.842056 
1 1 1 -8  -14 25 o 86.239  2.2700  999.258   52.398    968.082   74.650    1029.54   73.566    84.907  3.2824  87.571  3.1364  -2.663658      4.539952 
1 1 1 -8  -14 26 o 82.756  2.2235  919.641   49.273    949.481   70.097    890.498   69.275    84.085  3.1124  81.427  3.1763  2.658226       4.447027 
1 1 1 -8  -14 27 o 140.118 3.0138  2645.38   113.106   2665.92   160.069   2624.91   159.844   140.664 4.2485  139.572 4.2757  1.091492       6.027544 
1 1 1 -8  -14 28 o 80.082  2.2170  862.363   47.525    901.253   67.483    824.096   66.940    81.879  3.0770  78.285  3.1924  3.594551       4.433938 
1 1 1 -8  -14 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 30 o 57.771  2.1040  449.966   32.485    463.291   45.955    436.657   45.927    58.671  2.9243  56.871  3.0259  1.800434       4.208019 
1 1 1 -8  -14 31 o 87.158  2.3476  1025.17   54.803    1015.03   77.065    1035.55   77.949    86.722  3.3177  87.593  3.3224  -0.8713150     4.695249 
1 1 1 -8  -14 32 o 61.398  2.1352  509.355   35.028    484.685   49.121    534.879   49.964    59.838  3.0752  62.959  2.9629  -3.121029      4.270304 
1 1 1 -8  -14 33 o 22.589  2.7301  72.027    15.754    85.890    22.159    57.858    22.402    24.952  3.4044  20.227  4.2690  4.725023       5.460272 
1 1 1 -8  -14 34 o 17.002  3.1230  40.803    14.358    36.000    19.582    46.388    21.116    15.960  4.4261  18.044  4.4070  -2.084447      6.245924 
1 1 1 -8  -14 35 o 65.857  2.2060  588.297   38.890    563.342   54.019    615.148   56.034    64.405  3.1314  67.309  3.1081  -2.903221      4.411975 
1 1 1 -8  -14 36 f 35.211  2.4064  171.319   22.292    179.949   30.598    161.555   32.544    36.227  3.1857  34.196  3.6076  2.030640       4.812849 
1 1 1 -8  -14 37 o 18.220  3.1817  49.005    16.016    65.666    21.882    29.781    23.505    21.525  3.9406  14.915  4.9965  6.609913       6.363454 
1 1 1 -8  -14 38 o 16.532  3.2683  38.786    16.625    60.642    22.839    14.153    24.247    20.526  4.2924  12.539  4.9297  7.986170       6.536520 
1 1 1 -8  -14 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -14 40 o 29.793  2.3540  120.081   18.046    144.030   29.599    105.913   22.766    32.034  3.5070  27.552  3.1412  4.482491       4.708065 
1 1 1 -8  -14 41 o 43.536  2.2534  264.318   25.600    264.728   40.201    264.038   33.203    43.394  3.4882  43.678  2.8538  -0.2845001     4.506824 
1 1 1 -8  -14 42 o 25.733  2.9241  103.702   17.940    74.888    29.336    120.914   22.673    22.083  5.0672  29.382  2.9196  -7.299202      5.848112 
1 1 1 -8  -14 43 o 28.724  2.7126  119.869   19.325    121.982   32.705    118.735   23.954    28.543  4.4208  28.904  3.1447  -0.3611832     5.425210 
1 1 1 -8  -14 44 o 26.563  2.8637  103.185   18.930    112.887   32.024    97.974    23.468    27.163  4.5634  25.962  3.4610  1.201063       5.727377 
1 1 1 -8  -14 45 o 15.662  3.1556  27.218    14.487    71.775    26.758    8.7408    17.231    21.268  4.8098  10.055  4.0863  11.21293       6.311285 
1 1 1 -8  -14 46 o 22.769  3.3805  85.215    18.880    74.142    32.995    90.606    23.021    20.809  5.7354  24.728  3.5798  -3.919071      6.760937 
1 1 1 -8  -14 47 o 21.260  8.2440  104.901   67.076    104.901   67.076    0.0000    0.0000    21.260  8.2440  ?       ?       ?              ?        
1 1 1 -8  -14 48 o 18.615  3.7546  58.398    18.463    69.496    33.953    53.738    22.000    19.214  5.9689  18.016  4.5563  1.198750       7.509171 
1 1 1 -8  -13 1  o 181.393 3.5815  4421.63   174.010   4447.06   246.674   4396.44   245.505   181.912 5.0626  180.873 5.0675  1.038834       7.163091 
1 1 1 -8  -13 2  o 199.855 3.9151  5370.40   209.579   5382.65   296.884   5358.23   295.896   200.081 5.5398  199.628 5.5339  0.4535217      7.830235 
1 1 1 -8  -13 3  o 267.842 5.0755  9671.43   363.981   9998.89   515.392   9345.61   514.105   272.393 7.0640  263.291 7.2900  9.101746       10.15107 
1 1 1 -8  -13 4  o 258.704 4.9290  9016.91   341.485   9228.55   483.264   8805.85   482.601   261.753 6.8929  255.655 7.0476  6.098083       9.858076 
1 1 1 -8  -13 5  o 124.767 2.6598  2088.24   88.885    2086.70   125.562   2089.78   125.843   124.721 3.7586  124.813 3.7643  -0.9175110E-01 5.319501 
1 1 1 -8  -13 6  o 196.762 3.8196  5202.42   201.301   5167.90   284.445   5237.06   284.919   196.107 5.4152  197.418 5.3882  -1.311020      7.639236 
1 1 1 -8  -13 7  o 116.155 2.4767  1809.40   77.039    1759.99   108.522   1859.58   109.381   114.555 3.5368  117.755 3.4679  -3.199844      4.953369 
1 1 1 -8  -13 8  o 112.970 2.4286  1711.35   73.476    1669.38   103.417   1754.13   104.411   111.571 3.4606  114.370 3.4084  -2.799316      4.857244 
1 1 1 -8  -13 9  o 213.091 4.1023  6104.88   234.138   6052.40   330.631   6157.68   331.614   212.170 5.8180  214.012 5.7850  -1.842026      8.204577 
1 1 1 -8  -13 10 o 235.457 4.4980  7460.98   283.642   7582.73   400.858   7338.90   401.403   237.391 6.3043  233.523 6.4174  3.867874       8.995984 
1 1 1 -8  -13 11 o 174.528 3.4219  4091.33   159.947   4150.46   225.918   4031.91   226.481   175.797 4.7979  173.259 4.8803  2.537186       6.843763 
1 1 1 -8  -13 12 o 236.566 4.4699  7533.01   283.220   7610.29   400.335   7455.58   400.732   237.788 6.2856  235.345 6.3571  2.442749       8.939866 
1 1 1 -8  -13 13 o 34.323  1.7518  159.086   15.880    182.682   22.699    136.468   22.223    36.848  2.3116  31.798  2.6329  5.049532       3.503679 
1 1 1 -8  -13 14 o 156.193 4.4157  3283.92   184.707   3332.27   264.035   3237.58   258.484   157.316 6.2661  155.070 6.2233  2.245590       8.831390 
1 1 1 -8  -13 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -13 16 o 160.393 6.4646  3466.96   277.724   3466.96   277.724   0.0000    0.0000    160.393 6.4646  ?       ?       ?              ?        
1 1 1 -8  -13 17 o 84.203  2.0749  950.182   46.776    989.785   67.054    912.643   65.284    85.911  2.9140  82.494  2.9546  3.417358       4.149779 
1 1 1 -8  -13 18 o 142.405 2.9529  2723.90   112.616   2704.72   160.195   2742.65   158.347   141.905 4.2147  142.904 4.1369  -0.9990692     5.905704 
1 1 1 -8  -13 19 o 167.992 3.3723  3794.34   151.731   3788.39   215.661   3800.16   213.514   167.858 4.7967  168.126 4.7414  -0.2681732     6.744529 
1 1 1 -8  -13 20 o 100.896 2.3545  1366.09   63.609    1364.56   91.069    1367.55   88.885    100.839 3.3718  100.954 3.2871  -0.1154861     4.708921 
1 1 1 -8  -13 21 o 192.794 3.8092  5004.78   196.697   4985.94   279.108   5023.37   277.244   192.428 5.4152  193.160 5.3587  -0.7318878     7.618380 
1 1 1 -8  -13 22 o 165.334 3.3695  3676.96   149.206   3647.67   211.769   3705.84   210.258   164.675 4.8012  165.993 4.7290  -1.318527      6.739060 
1 1 1 -8  -13 23 o 77.009  2.1400  795.584   44.126    798.239   63.302    793.076   61.542    77.132  3.0640  76.886  2.9884  0.2463989      4.280047 
1 1 1 -8  -13 24 o 291.175 5.5590  11501.07  433.547   11493.57  613.460   11508.55  612.796   291.077 7.8685  291.273 7.8547  -0.1961670     11.11793 
1 1 1 -8  -13 25 o 177.587 3.5817  4248.49   170.346   4333.44   241.162   4163.90   240.650   179.369 5.0197  175.807 5.1105  3.562103       7.163375 
1 1 1 -8  -13 26 o 91.690  2.3249  1129.63   57.010    1208.10   80.993    1052.58   80.261    94.855  3.1879  88.525  3.3849  6.330025       4.649741 
1 1 1 -8  -13 27 o 68.413  2.1163  628.465   38.780    630.784   54.848    626.147   54.837    68.539  2.9877  68.286  2.9982  0.2530212      4.232638 
1 1 1 -8  -13 28 o 83.892  2.3007  946.036   51.692    926.066   72.828    966.310   73.383    82.997  3.2760  84.786  3.2313  -1.788628      4.601492 
1 1 1 -8  -13 29 o 23.473  2.7989  76.288    16.971    76.177    23.939    76.401    24.063    23.457  3.9506  23.490  3.9658  -0.3265953E-01 5.597744 
1 1 1 -8  -13 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -13 31 o 34.364  2.2184  160.742   20.147    169.736   28.224    151.397   28.769    35.374  3.0074  33.354  3.2619  2.019684       4.436764 
1 1 1 -8  -13 32 o 108.820 2.6230  1603.04   76.442    1605.18   107.273   1600.83   108.956   108.904 3.6776  108.737 3.7410  0.1673889      5.245900 
1 1 1 -8  -13 33 o 6.9386  2.2814  -16.4835  10.770    -4.9688   14.309    -31.5318  16.358    7.7721  3.4484  6.1051  2.9878  1.666942       4.562734 
1 1 1 -8  -13 34 o 29.582  2.5486  123.882   19.019    153.518   26.356    91.683    27.472    33.560  2.9625  25.603  4.1479  7.956673       5.097162 
1 1 1 -8  -13 35 o 70.191  2.2553  668.506   42.385    651.248   58.993    686.919   60.937    69.258  3.1801  71.124  3.1987  -1.865829      4.510519 
1 1 1 -8  -13 36 o 14.290  3.3048  27.460    14.542    28.686    19.522    25.931    21.794    14.446  4.5325  14.134  4.8109  0.3116055      6.609665 
1 1 1 -8  -13 37 o 32.019  2.5026  141.421   21.056    134.831   28.616    149.201   31.093    31.216  3.4818  32.822  3.5956  -1.606226      5.005107 
1 1 1 -8  -13 38 o 39.066  3.0487  230.502   28.189    267.118   35.359    166.650   46.693    44.156  3.0076  33.976  5.3041  10.18000       6.097465 
1 1 1 -8  -13 39 o 12.915  5.3119  10.459    29.558    0.0000    0.0000    10.459    29.558    ?       ?       12.915  5.3119  ?              ?        
1 1 1 -8  -13 40 o 10.938  2.9079  12.343    12.246    -3.3245   20.869    20.570    15.123    9.6101  4.2182  12.267  4.0038  -2.656706      5.815765 
1 1 1 -8  -13 41 o 20.986  2.8315  56.538    15.402    117.079   25.917    23.485    19.150    28.810  3.4257  13.162  4.5094  15.64843       5.663083 
1 1 1 -8  -13 42 o 48.556  2.3149  336.377   29.059    304.330   45.428    358.570   37.804    46.251  3.6980  50.861  2.7856  -4.610176      4.629740 
1 1 1 -8  -13 43 o 11.392  2.9973  16.218    12.097    5.9887    22.477    20.389    14.352    10.807  4.5524  11.978  3.9000  -1.171062      5.994560 
1 1 1 -8  -13 44 o 6.5037  2.9315  -20.7634  9.3877    -71.5302  19.065    -4.5139   10.786    ?       ?       6.5037  2.9315  ?              ?        
1 1 1 -8  -13 45 o 33.701  2.8048  176.992   22.765    139.213   37.185    199.641   28.791    29.879  4.8097  37.523  2.8869  -7.644083      5.609558 
1 1 1 -8  -13 46 o 29.079  2.8889  125.171   20.869    137.311   35.673    118.854   25.732    29.674  4.6403  28.484  3.4425  1.189737       5.777858 
1 1 1 -8  -13 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -13 48 o 22.593  3.4203  80.239    19.098    101.364   33.737    70.276    23.168    24.224  5.3430  20.961  4.2715  3.263218       6.840571 
1 1 1 -8  -12 1  o 407.659 7.6736  22547.01  837.880   22496.21  1185.52   22597.71  1184.36   407.191 10.870  408.126 10.834  -0.9347534     15.34714 
1 1 1 -8  -12 2  o 125.317 2.6901  2106.77   90.242    2200.78   128.066   2014.06   127.181   128.098 3.7325  122.536 3.8750  5.561340       5.380254 
1 1 1 -8  -12 3  o 203.494 3.9552  5564.61   215.463   5788.42   305.148   5342.08   304.276   207.587 5.4881  199.400 5.6971  8.187057       7.910496 
1 1 1 -8  -12 4  o 149.787 3.0406  3010.27   121.973   3069.51   172.583   2951.16   172.407   151.262 4.2597  148.312 4.3400  2.949646       6.081168 
1 1 1 -8  -12 5  o 103.252 2.3335  1429.18   64.535    1429.04   91.046    1429.32   91.486    103.247 3.2923  103.256 3.3079  -0.9414673E-02 4.667033 
1 1 1 -8  -12 6  o 96.697  2.2166  1253.75   57.334    1171.86   80.624    1337.54   81.550    93.499  3.2194  99.895  3.0478  -6.395767      4.433232 
1 1 1 -8  -12 7  o 308.795 5.7691  12846.46  477.131   13007.43  674.483   12685.21  675.047   310.744 8.1036  306.847 8.2134  3.897308       11.53815 
1 1 1 -8  -12 8  o 30.409  1.6881  124.521   13.616    115.085   18.928    134.640   19.601    29.205  2.4421  31.614  2.3313  -2.409073      3.376198 
1 1 1 -8  -12 9  o 34.437  1.6661  159.772   15.260    163.323   21.276    156.010   21.899    34.838  2.2929  34.036  2.4178  0.8017845      3.332179 
1 1 1 -8  -12 10 o 148.223 2.9758  2947.72   118.119   3006.06   166.759   2888.97   167.333   149.697 4.1590  146.747 4.2572  2.950058       5.951511 
1 1 1 -8  -12 11 o 254.983 4.8264  8747.45   329.627   8789.46   465.926   8705.36   466.400   255.599 6.8056  254.367 6.8456  1.232635       9.652900 
1 1 1 -8  -12 12 o 184.798 3.5972  4585.95   178.050   4606.12   251.658   4565.73   251.944   185.206 5.0730  184.389 5.1013  0.8165436      7.194342 
1 1 1 -8  -12 13 f 59.645  1.7655  476.759   28.205    477.825   40.085    475.714   39.693    59.711  2.5063  59.579  2.4873  0.1317444      3.531065 
1 1 1 -8  -12 14 o 55.565  1.7533  414.702   26.037    390.681   37.287    437.559   36.373    53.990  2.5785  57.140  2.3765  -3.150772      3.506612 
1 1 1 -8  -12 15 o 103.693 2.3058  1441.93   63.961    1540.03   91.225    1347.09   89.704    107.166 3.1781  100.221 3.3417  6.944305       4.611625 
1 1 1 -8  -12 16 o 98.711  2.2598  1306.15   59.727    1355.65   85.408    1258.77   83.555    100.542 3.1715  96.881  3.2199  3.661316       4.519553 
1 1 1 -8  -12 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -12 18 o 148.802 3.7593  2973.38   141.334   2963.67   173.087   2992.81   244.831   148.544 4.3503  149.060 6.1322  -0.5154419     7.518583 
1 1 1 -8  -12 19 o 112.144 2.5154  1687.67   75.544    1690.54   107.904   1684.90   105.798   112.235 3.5894  112.052 3.5251  0.1831131      5.030870 
1 1 1 -8  -12 20 o 253.838 4.8719  8700.47   331.191   8545.58   469.180   8854.30   467.574   251.565 6.9631  256.112 6.8160  -4.547684      9.743855 
1 1 1 -8  -12 21 o 186.898 3.7025  4701.34   185.286   4862.16   262.914   4542.65   261.164   190.087 5.1638  183.710 5.3075  6.376343       7.405052 
1 1 1 -8  -12 22 o 37.503  2.0780  191.070   20.554    170.477   29.614    210.209   28.551    35.507  3.1465  39.498  2.7151  -3.991325      4.155992 
1 1 1 -8  -12 23 o 176.262 3.5620  4182.88   168.061   4015.70   237.783   4349.76   237.567   172.724 5.1397  179.800 4.9330  -7.076523      7.123959 
1 1 1 -8  -12 24 o 64.893  2.0566  564.831   35.725    591.929   50.904    538.530   50.151    66.428  2.8610  63.357  2.9552  3.070557       4.113231 
1 1 1 -8  -12 25 o 102.049 2.4488  1399.15   66.871    1469.86   94.570    1328.44   94.571    104.636 3.3743  99.462  3.5498  5.173615       4.897685 
1 1 1 -8  -12 26 o 44.933  2.0572  273.151   24.484    304.330   34.524    241.602   34.729    47.551  2.7220  42.315  3.0854  5.236324       4.114455 
1 1 1 -8  -12 27 o 22.487  2.6878  69.948    15.592    73.193    21.817    66.559    22.293    23.056  3.6546  21.917  3.9423  1.139240       5.375685 
1 1 1 -8  -12 28 o 111.730 2.6095  1678.96   78.091    1661.00   109.814   1697.33   111.072   111.126 3.6894  112.334 3.6915  -1.208260      5.219066 
1 1 1 -8  -12 29 o 126.102 2.8248  2143.26   95.387    2170.89   134.038   2114.91   135.776   126.936 3.9423  125.269 4.0466  1.667526       5.649506 
1 1 1 -8  -12 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -12 31 o 78.343  2.2639  827.317   47.470    841.676   66.221    812.140   68.083    79.053  3.1274  77.632  3.2742  1.420456       4.527833 
1 1 1 -8  -12 32 f 35.227  2.2429  168.671   20.882    153.992   29.162    184.122   29.917    33.624  3.2798  36.830  3.0604  -3.206730      4.485890 
1 1 1 -8  -12 33 o 90.081  2.4108  1096.63   58.110    1029.82   80.746    1168.41   83.692    87.226  3.4561  92.936  3.3621  -5.710320      4.821672 
1 1 1 -8  -12 34 o 32.321  2.3733  142.139   20.124    123.490   27.356    164.134   29.710    29.977  3.4713  34.665  3.2373  -4.687551      4.746564 
1 1 1 -8  -12 35 o 23.947  2.7068  78.900    16.565    62.136    22.128    100.269   24.984    20.973  4.0860  26.922  3.5514  -5.948885      5.413682 
1 1 1 -8  -12 36 o 43.907  2.2336  262.906   26.064    254.810   35.853    271.979   37.955    43.198  3.1197  44.615  3.1973  -1.417210      4.467137 
1 1 1 -8  -12 37 f 49.008  2.0408  321.100   26.394    390.126   40.461    269.973   34.822    53.536  2.8317  44.479  2.9395  9.056900       4.081556 
1 1 1 -8  -12 38 o 40.093  2.1404  218.051   22.532    234.501   35.205    206.637   29.325    41.311  3.2068  38.875  2.8358  2.436615       4.280813 
1 1 1 -8  -12 39 o 30.664  2.3338  128.425   18.530    141.196   29.609    120.202   23.758    31.833  3.5321  29.494  3.0515  2.339310       4.667647 
1 1 1 -8  -12 40 o 8.6298  2.5737  -13.0062  10.530    16.769    19.104    -26.0006  12.620    12.038  4.4604  5.2212  2.5691  6.817155       5.147375 
1 1 1 -8  -12 41 o 19.181  3.1000  55.018    15.047    50.738    25.552    57.290    18.617    18.381  5.0395  19.981  3.6116  -1.599907      6.200051 
1 1 1 -8  -12 42 f 24.253  2.8940  86.094    17.494    84.810    28.667    86.855    22.082    23.819  4.6602  24.686  3.4325  -0.8667908     5.787931 
1 1 1 -8  -12 43 o 27.691  2.8145  116.383   19.088    95.336    30.595    129.796   24.425    25.057  4.7321  30.325  3.0483  -5.267864      5.628933 
1 1 1 -8  -12 44 o 35.658  2.4290  176.368   22.433    217.641   36.562    151.452   28.408    38.818  3.5560  32.498  3.3097  6.319592       4.857918 
1 1 1 -8  -12 45 o 16.187  3.3577  43.493    15.956    26.895    28.021    51.457    19.410    14.000  5.3546  18.373  4.0529  -4.373602      6.715449 
1 1 1 -8  -12 46 o 12.206  2.9237  18.769    14.507    -22.1596  25.648    38.021    17.591    8.7460  4.1371  15.666  4.1325  -6.920035      5.847492 
1 1 1 -8  -12 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -12 48 o 11.449  3.1875  16.458    14.891    -0.8202   26.857    24.128    17.894    10.374  4.6552  12.525  4.3553  -2.150695      6.374901 
1 1 1 -8  -12 49 o 11.080  3.1753  15.273    15.207    -8.2894   30.149    23.314    17.612    10.037  4.6622  12.124  4.3122  -2.087351      6.350660 
1 1 1 -8  -11 1  o 287.393 5.4518  11117.14  419.609   11347.97  594.152   10887.46  592.685   290.382 7.6390  284.403 7.7804  5.978790       10.90363 
1 1 1 -8  -11 2  o 477.187 8.8720  30866.79  1133.88   31301.84  1604.32   30432.57  1602.78   480.585 12.463  473.789 12.630  6.795471       17.74394 
1 1 1 -8  -11 3  o 130.148 2.7349  2271.11   95.324    2321.16   134.930   2221.25   134.688   131.581 3.8285  128.716 3.9067  2.865662       5.469866 
1 1 1 -8  -11 4  f 121.275 2.6004  1971.64   84.456    1929.78   119.288   2013.70   119.589   119.983 3.7118  122.567 3.6428  -2.583458      5.200702 
1 1 1 -8  -11 5  o 348.926 6.4653  16396.44  604.123   16778.15  854.443   16014.89  854.274   353.009 9.0367  344.842 9.2488  8.166443       12.93069 
1 1 1 -8  -11 6  o 24.434  1.8180  80.909    11.638    69.951    16.193    92.619    16.739    22.687  2.7189  26.182  2.4142  -3.495064      3.636014 
1 1 1 -8  -11 7  o 83.263  2.0051  929.329   44.699    950.370   62.824    907.757   63.610    84.219  2.7850  82.308  2.8854  1.911285       4.010165 
1 1 1 -8  -11 8  o 89.330  2.1009  1069.29   50.266    1067.19   70.683    1071.44   71.499    89.242  2.9570  89.419  2.9852  -0.1772156     4.201875 
1 1 1 -8  -11 9  o 174.529 3.3990  4085.68   158.893   4088.88   224.362   4082.47   225.057   174.598 4.7976  174.460 4.8162  0.1380920      6.798004 
1 1 1 -8  -11 10 o 97.479  2.2216  1273.73   57.991    1301.03   81.803    1246.14   82.221    98.530  3.0997  96.427  3.1834  2.102570       4.443216 
1 1 1 -8  -11 11 o 135.094 2.7738  2447.17   100.361   2479.97   141.815   2414.26   142.048   136.002 3.8930  134.186 3.9522  1.816177       5.547578 
1 1 1 -8  -11 12 o 206.086 3.9742  5703.80   219.290   5890.35   310.401   5517.92   309.847   209.459 5.5327  202.713 5.7066  6.746155       7.948302 
1 1 1 -8  -11 13 o 151.557 3.0497  3081.78   123.779   3023.05   175.377   3140.07   174.724   150.115 4.3617  152.999 4.2636  -2.883545      6.099424 
1 1 1 -8  -11 14 o 296.879 5.5516  11875.65  441.437   12005.71  625.057   11746.22  623.519   298.508 7.8176  295.250 7.8844  3.258759       11.10313 
1 1 1 -8  -11 15 o 205.303 3.9604  5664.46   217.702   5861.62   308.912   5469.92   306.854   208.862 5.5219  201.744 5.6786  7.118317       7.920704 
1 1 1 -8  -11 16 o 249.973 4.7552  8413.64   318.345   8588.61   451.352   8240.43   449.071   252.570 6.6718  247.376 6.7775  5.193359       9.510395 
1 1 1 -8  -11 17 o 39.796  1.7698  212.824   18.741    218.161   27.395    208.130   25.694    40.263  2.5535  39.330  2.4512  0.9323921      3.539582 
1 1 1 -8  -11 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -11 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -11 20 o 123.254 2.6816  2039.17   88.525    2050.55   125.786   2028.00   124.609   123.594 3.7997  122.914 3.7850  0.6802444      5.363152 
1 1 1 -8  -11 21 o 185.313 3.6963  4620.89   183.462   4576.47   259.734   4665.12   259.174   184.419 5.2582  186.207 5.1965  -1.787857      7.392667 
1 1 1 -8  -11 22 o 104.248 2.4223  1458.53   67.632    1482.93   95.871    1434.35   95.425    105.118 3.4050  103.379 3.4462  1.738861       4.844624 
1 1 1 -8  -11 23 o 102.576 2.4338  1412.28   66.867    1415.94   94.599    1408.63   94.530    102.709 3.4387  102.443 3.4451  0.2659836      4.867543 
1 1 1 -8  -11 24 o 126.665 2.7921  2155.23   94.720    2119.05   133.686   2191.70   134.225   125.595 3.9739  127.735 3.9231  -2.139839      5.584191 
1 1 1 -8  -11 25 o 68.053  2.0940  621.158   38.163    606.278   53.482    636.594   54.472    67.223  2.9703  68.884  2.9524  -1.660950      4.187979 
1 1 1 -8  -11 26 f 107.076 2.5259  1539.62   72.437    1522.91   101.695   1556.83   103.205   106.487 3.5654  107.665 3.5788  -1.178276      5.051755 
1 1 1 -8  -11 27 o 68.233  2.1272  624.800   38.873    616.632   54.454    633.288   55.510    67.779  2.9995  68.688  3.0172  -0.9083862     4.254479 
1 1 1 -8  -11 28 o 31.076  2.3520  130.724   19.233    123.029   26.226    139.678   28.291    30.081  3.3097  32.070  3.3426  -1.989449      4.703947 
1 1 1 -8  -11 29 o 144.702 3.1140  2824.12   120.667   2857.36   169.523   2789.99   171.798   145.577 4.3476  143.826 4.4596  1.751526       6.228087 
1 1 1 -8  -11 30 f 39.440  2.2731  212.030   23.625    228.271   32.442    193.692   34.473    41.101  2.9668  37.778  3.4447  3.322704       4.546203 
1 1 1 -8  -11 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -11 32 o 86.894  2.3681  1018.03   55.094    992.486   76.580    1045.43   79.322    85.768  3.3335  88.020  3.3645  -2.251991      4.736297 
1 1 1 -8  -11 33 o 98.322  2.5257  1307.30   66.482    1257.10   92.477    1360.99   95.643    96.367  3.5828  100.277 3.5609  -3.909325      5.051379 
1 1 1 -8  -11 34 o 86.440  2.4190  1013.53   55.949    1031.95   77.822    993.817   80.493    87.281  3.3288  85.599  3.5108  1.682243       4.838048 
1 1 1 -8  -11 35 o 19.424  2.7177  54.691    13.230    46.644    21.402    59.667    16.830    18.090  4.4482  20.759  3.1236  -2.669548      5.435344 
1 1 1 -8  -11 36 o 40.918  2.0345  228.529   21.910    224.211   33.357    231.806   29.057    40.522  3.0967  41.313  2.6396  -0.7918320     4.069076 
1 1 1 -8  -11 37 o 40.700  2.1356  230.671   22.546    201.585   34.428    252.511   29.832    38.293  3.3917  43.107  2.5959  -4.813995      4.271100 
1 1 1 -8  -11 38 o 24.377  2.6497  87.207    15.736    70.247    25.595    97.515    19.953    22.119  4.4738  26.635  2.8406  -4.515825      5.299419 
1 1 1 -8  -11 39 o 28.223  2.3593  110.095   17.201    114.348   27.038    107.203   22.295    28.597  3.6104  27.849  3.0382  0.7475262      4.718630 
1 1 1 -8  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -11 41 o 35.457  2.2850  173.653   21.004    183.822   33.670    167.175   26.874    36.174  3.5196  34.740  2.9150  1.433739       4.569998 
1 1 1 -8  -11 42 o 45.583  2.2821  291.843   27.071    286.061   42.631    295.751   35.044    44.983  3.5676  46.182  2.8469  -1.199249      4.564229 
1 1 1 -8  -11 43 o 25.333  2.7999  86.548    17.651    126.744   30.448    66.203    21.663    29.486  3.9550  21.180  3.9643  8.305676       5.599778 
1 1 1 -8  -11 44 o 31.120  2.5787  135.684   20.424    161.522   34.361    121.569   25.397    33.145  3.9482  29.095  3.3183  4.049652       5.157453 
1 1 1 -8  -11 45 o 22.225  3.1624  73.331    17.620    88.766    29.589    64.850    21.934    23.786  4.8096  20.665  4.1074  3.120991       6.324775 
1 1 1 -8  -11 46 o 10.935  3.1546  9.6992    13.627    17.963    24.599    6.0407    16.368    12.403  4.9368  9.4664  3.9287  2.936421       6.309232 
1 1 1 -8  -11 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -11 48 o 9.2633  2.9203  -2.5898   15.096    -22.4831  26.142    7.3629    18.491    8.6524  4.1172  9.8741  4.1427  -1.221748      5.840690 
1 1 1 -8  -11 49 o 15.271  3.6535  42.089    17.264    38.465    32.576    43.504    20.358    14.594  5.7212  15.948  4.5452  -1.353844      7.306906 
1 1 1 -8  -10 1  o 376.548 7.0442  19099.39  710.446   19277.44  1005.40   18921.82  1004.05   378.310 9.9220  374.787 10.002  3.523071       14.08846 
1 1 1 -8  -10 2  o 343.372 6.3616  15859.05  585.083   15951.68  827.891   15766.63  826.974   344.377 8.9753  342.367 9.0180  2.010315       12.72324 
1 1 1 -8  -10 3  o 378.533 7.0284  19285.57  712.557   19560.21  1008.02   19011.27  1007.40   381.239 9.8714  375.826 10.008  5.413116       14.05687 
1 1 1 -8  -10 4  o 86.571  2.1150  1004.61   48.980    941.301   68.981    1068.99   69.558    83.818  3.0726  89.324  2.9073  -5.506264      4.230043 
1 1 1 -8  -10 5  o 312.639 5.8355  13131.41  488.659   13145.44  690.768   13117.35  691.369   312.807 8.2445  312.471 8.2606  0.3362732      11.67090 
1 1 1 -8  -10 6  o 287.405 5.3753  11093.72  413.675   11393.44  584.843   10793.63  585.208   291.302 7.4956  283.509 7.7064  7.792175       10.75051 
1 1 1 -8  -10 7  o 206.390 3.9380  5712.81   217.693   5668.67   307.398   5757.22   308.333   205.590 5.5823  207.191 5.5560  -1.600784      7.875969 
1 1 1 -8  -10 8  o 467.930 8.6447  29532.62  1083.33   30097.02  1532.16   28968.36  1531.97   472.432 12.108  463.427 12.342  9.004791       17.28946 
1 1 1 -8  -10 9  o 181.365 3.5512  4410.75   172.508   4436.41   243.700   4384.98   244.228   181.895 5.0020  180.835 5.0422  1.059219       7.102433 
1 1 1 -8  -10 10 o 178.378 3.4748  4266.80   166.012   4304.47   234.626   4229.04   234.926   179.168 4.8891  177.589 4.9389  1.579147       6.949509 
1 1 1 -8  -10 11 o 426.615 7.8648  24546.70  898.571   25038.44  1271.24   24055.68  1270.31   430.915 11.014  422.316 11.230  8.598358       15.72969 
1 1 1 -8  -10 12 o 332.315 6.1655  14859.85  548.778   15005.46  776.599   14714.61  775.580   333.948 8.6822  330.682 8.7564  3.265564       12.33108 
1 1 1 -8  -10 13 o 106.471 2.3397  1518.94   66.711    1558.88   95.114    1480.27   93.592    107.848 3.2926  105.093 3.3249  2.755058       4.679339 
1 1 1 -8  -10 14 o 142.191 2.9016  2710.95   110.488   2788.89   157.191   2634.83   155.333   144.213 4.0694  140.170 4.1373  4.042694       5.803257 
1 1 1 -8  -10 15 o 195.947 3.8193  5155.42   200.447   5177.57   284.532   5133.60   282.430   196.364 5.4098  195.530 5.3927  0.8339844      7.638528 
1 1 1 -8  -10 16 o 168.373 3.3476  3805.18   150.967   3837.61   214.622   3773.42   212.396   169.083 4.7390  167.664 4.7295  1.419220       6.695257 
1 1 1 -8  -10 17 o 243.292 4.6878  7967.36   305.481   7962.83   433.018   7971.84   431.019   243.220 6.6469  243.364 6.6123  -0.1440430     9.375669 
1 1 1 -8  -10 18 o 46.341  1.8318  289.775   22.562    269.988   32.519    308.142   31.330    44.796  2.7232  47.886  2.4508  -3.090454      3.663626 
1 1 1 -8  -10 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -10 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -10 21 o 81.603  2.1440  893.177   46.860    886.578   66.324    899.754   66.216    81.301  3.0457  81.904  3.0183  -0.6030197     4.287956 
1 1 1 -8  -10 22 o 226.094 4.3873  6892.44   265.662   6768.28   375.350   7017.08   376.058   224.041 6.2549  228.146 6.1539  -4.105438      8.774652 
1 1 1 -8  -10 23 o 152.039 3.1528  3107.60   128.368   3168.50   181.257   3046.33   181.823   153.540 4.4074  150.538 4.5093  3.001617       6.305519 
1 1 1 -8  -10 24 f 263.721 5.0840  9406.62   359.097   9267.72   507.014   9546.42   508.670   261.752 7.2317  265.689 7.1478  -3.937042      10.16802 
1 1 1 -8  -10 25 o 41.354  2.1206  230.786   23.311    235.361   32.556    225.973   33.394    41.784  2.9274  40.924  3.0688  0.8598976      4.241132 
1 1 1 -8  -10 26 o 170.467 3.4786  3911.79   158.823   3916.89   223.596   3906.59   225.637   170.584 4.8937  170.350 4.9451  0.2334900      6.957209 
1 1 1 -8  -10 27 o 69.122  2.1368  642.327   39.493    668.833   55.063    614.247   56.674    70.598  2.9119  67.646  3.1279  2.952660       4.273540 
1 1 1 -8  -10 28 o 57.984  2.1031  452.903   32.528    476.781   45.484    427.908   46.536    59.600  2.8492  56.368  3.0941  3.232735       4.206128 
1 1 1 -8  -10 29 o 115.278 2.6951  1789.00   83.176    1815.29   116.345   1761.52   118.955   116.155 3.7396  114.401 3.8821  1.753799       5.390252 
1 1 1 -8  -10 30 f 75.903  2.2632  775.097   45.953    780.953   63.527    768.669   66.552    76.212  3.1120  75.593  3.2869  0.6189728      4.526433 
1 1 1 -8  -10 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -10 32 o 36.425  2.2394  180.021   21.594    178.248   29.617    182.033   31.551    36.245  3.0799  36.604  3.2519  -0.3587112     4.478900 
1 1 1 -8  -10 33 o 81.147  2.1975  887.307   47.690    911.702   69.755    865.896   65.349    82.180  3.1690  80.113  3.0454  2.066765       4.395072 
1 1 1 -8  -10 34 o 20.680  2.4934  56.952    12.999    83.802    20.613    39.226    16.749    24.691  3.1914  16.668  3.8318  8.023726       4.986763 
1 1 1 -8  -10 35 o 43.426  2.0670  260.577   23.418    228.572   35.377    285.540   31.242    40.927  3.2540  45.925  2.5499  -4.998169      4.134053 
1 1 1 -8  -10 36 o 50.600  2.0490  347.659   27.403    351.210   41.723    344.964   36.341    50.779  3.0822  50.422  2.7006  0.3568153      4.097965 
1 1 1 -8  -10 37 o 39.434  2.1766  217.571   22.130    186.984   34.049    239.941   29.118    36.848  3.4915  42.020  2.5999  -5.171902      4.353190 
1 1 1 -8  -10 38 o 33.412  2.2327  154.844   19.269    147.161   30.219    160.107   25.013    32.597  3.5168  34.228  2.7516  -1.631218      4.465324 
1 1 1 -8  -10 39 o 18.392  2.9158  43.785    13.828    72.504    23.575    28.722    17.073    22.553  4.0517  14.232  4.1943  8.320858       5.831648 
1 1 1 -8  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -10 41 o 41.858  2.2977  245.693   24.897    235.128   39.343    252.751   32.155    40.903  3.6287  42.813  2.8198  -1.909489      4.595491 
1 1 1 -8  -10 42 o 52.756  2.3531  396.636   32.161    355.740   49.968    425.558   42.021    50.069  3.7533  55.443  2.8392  -5.373577      4.706179 
1 1 1 -8  -10 43 o 32.438  2.5850  153.430   20.981    142.567   34.439    159.842   26.458    31.128  4.2410  33.748  2.9567  -2.620689      5.169993 
1 1 1 -8  -10 44 o 11.416  3.0435  14.676    13.740    -4.4992   23.202    25.033    17.051    9.7600  4.3570  13.072  4.2506  -3.312102      6.086955 
1 1 1 -8  -10 45 o 22.327  3.2925  88.042    18.386    48.274    31.626    108.346   22.598    17.178  5.7955  27.476  3.1262  -10.29861      6.584937 
1 1 1 -8  -10 46 o 18.186  3.5398  54.515    17.403    48.548    30.369    57.432    21.235    17.091  5.6783  19.281  4.2283  -2.189926      7.079676 
1 1 1 -8  -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -10 48 o 15.549  3.5251  42.630    17.337    25.270    31.007    50.526    20.912    13.482  5.4807  17.616  4.4349  -4.133355      7.050264 
1 1 1 -8  -9  1  o 49.982  1.7350  335.092   23.177    348.254   32.924    322.161   32.633    50.988  2.4108  48.976  2.4959  2.011414       3.470074 
1 1 1 -8  -9  2  o 385.707 7.1512  20004.41  738.703   20385.50  1045.25   19624.13  1044.12   389.391 10.022  382.023 10.204  7.368073       14.30240 
1 1 1 -8  -9  3  o 154.108 3.1429  3183.26   129.713   3248.12   183.464   3118.43   183.419   155.679 4.3998  152.537 4.4893  3.141861       6.285872 
1 1 1 -8  -9  4  o 277.391 5.1856  10324.98  385.283   10357.86  544.666   10292.06  545.079   277.834 7.3191  276.948 7.3481  0.8860168      10.37125 
1 1 1 -8  -9  5  o 450.828 8.2994  27354.29  1002.12   27678.39  1417.07   27030.05  1417.37   453.513 11.666  448.143 11.808  5.369598       16.59875 
1 1 1 -8  -9  6  o 332.067 6.1307  14807.12  545.286   14788.23  770.678   14826.06  771.625   331.855 8.6703  332.279 8.6699  -0.4242859     12.26139 
1 1 1 -8  -9  7  o 256.115 4.7971  8799.72   329.063   8902.41   465.050   8696.76   465.682   257.614 6.7397  254.616 6.8283  2.998260       9.594258 
1 1 1 -8  -9  8  o 260.287 4.8555  9089.10   338.510   9123.75   478.435   9054.36   479.016   260.785 6.8494  259.789 6.8840  0.9958191      9.710973 
1 1 1 -8  -9  9  o 274.686 5.1473  10125.36  378.704   10070.95  535.314   10179.88  535.822   273.946 7.2955  275.426 7.2632  -1.480042      10.29455 
1 1 1 -8  -9  10 o 553.705 10.261  41414.41  1521.39   42541.52  2152.58   40289.42  2150.56   561.295 14.318  546.115 14.702  15.18085       20.52199 
1 1 1 -8  -9  11 o 247.755 4.7166  8236.47   312.996   8270.75   443.077   8202.33   442.212   248.270 6.6629  247.240 6.6776  1.030212       9.433217 
1 1 1 -8  -9  12 o 66.890  1.8530  599.456   33.183    598.131   47.651    600.703   46.236    66.818  2.6625  66.962  2.5779  -0.1442337     3.705990 
1 1 1 -8  -9  13 o 183.274 3.6198  4505.23   177.678   4465.41   252.167   4544.48   250.391   182.468 5.1596  184.080 5.0783  -1.612610      7.239521 
1 1 1 -8  -9  14 o 351.288 6.5419  16615.60  615.532   16728.21  871.661   16503.59  869.330   352.479 9.2326  350.097 9.2706  2.382202       13.08379 
1 1 1 -8  -9  15 o 30.578  1.8201  126.489   14.710    121.908   21.524    130.504   20.150    30.041  2.7039  31.114  2.4373  -1.073061      3.640252 
1 1 1 -8  -9  16 o 98.332  2.3048  1296.52   60.681    1277.57   86.604    1314.80   85.048    97.624  3.3120  99.039  3.2060  -1.415138      4.609575 
1 1 1 -8  -9  17 o 312.966 5.9004  13210.95  494.580   13036.51  699.859   13384.97  699.026   310.886 8.4047  315.046 8.2838  -4.159454      11.80085 
1 1 1 -8  -9  18 o 160.987 3.2677  3479.49   140.896   3526.40   199.570   3432.87   198.946   162.071 4.5973  159.903 4.6451  2.167923       6.535418 
1 1 1 -8  -9  19 o 210.561 4.1286  5964.65   232.829   5873.14   329.216   6056.23   329.322   208.939 5.8827  212.184 5.7945  -3.246048      8.257259 
1 1 1 -8  -9  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -9  21 o 213.335 4.1522  6128.40   237.247   6035.52   335.017   6221.85   336.023   211.706 5.9080  214.964 5.8360  -3.257401      8.304435 
1 1 1 -8  -9  22 f 65.780  1.9931  580.308   35.114    584.159   49.444    576.389   49.875    66.001  2.7969  65.559  2.8403  0.4417953      3.986215 
1 1 1 -8  -9  23 o 111.826 2.5574  1679.73   76.548    1737.56   107.739   1620.77   108.779   113.776 3.5353  109.875 3.6962  3.901939       5.114753 
1 1 1 -8  -9  24 o 124.802 2.7548  2092.19   92.071    2108.48   129.346   2075.46   131.089   125.299 3.8540  124.306 3.9372  0.9927292      5.509523 
1 1 1 -8  -9  25 o 131.177 2.8654  2311.24   100.637   2222.60   141.132   2402.94   143.544   128.614 4.0968  133.740 4.0072  -5.125259      5.730735 
1 1 1 -8  -9  26 o 92.190  2.3675  1140.61   58.449    1128.09   81.739    1153.70   83.613    91.674  3.3289  92.706  3.3673  -1.032227      4.734938 
1 1 1 -8  -9  27 o 146.549 3.1409  2891.26   123.195   2989.69   173.118   2790.28   175.351   149.093 4.3351  144.005 4.5461  5.088531       6.281742 
1 1 1 -8  -9  28 o 111.950 2.6368  1685.65   79.009    1724.31   110.503   1645.21   113.010   113.273 3.6421  110.626 3.8139  2.646820       5.273621 
1 1 1 -8  -9  29 f 108.955 2.6206  1597.34   76.433    1618.93   106.704   1574.60   109.537   109.720 3.6308  108.189 3.7800  1.531174       5.241282 
1 1 1 -8  -9  30 o 127.999 2.8585  2207.49   97.985    2170.49   137.076   2246.15   140.118   126.904 4.0327  129.094 4.0523  -2.189148      5.716974 
1 1 1 -8  -9  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -9  32 o 27.027  2.2307  96.654    15.474    129.260   24.192    74.080    20.130    30.845  2.9647  23.209  3.3338  7.636101       4.461399 
1 1 1 -8  -9  33 o 21.702  2.3693  64.542    13.178    68.437    20.456    61.779    17.231    22.229  3.5555  21.175  3.1325  1.054077       4.738603 
1 1 1 -8  -9  34 o 44.698  2.0135  270.712   23.763    270.870   36.096    270.592   31.569    44.674  3.0346  44.722  2.6472  -0.4763031E-01 4.026962 
1 1 1 -8  -9  35 o 116.488 2.7281  1849.04   85.009    1853.41   123.477   1845.09   117.209   116.567 3.9548  116.408 3.7591  0.1598434      5.456298 
1 1 1 -8  -9  36 o 48.650  2.0975  324.917   26.743    304.195   40.960    340.313   35.307    47.203  3.2597  50.098  2.6405  -2.895550      4.194990 
1 1 1 -8  -9  37 o 33.862  2.1711  155.234   19.197    167.758   30.240    146.780   24.845    34.951  3.2682  32.773  2.8590  2.177971       4.342189 
1 1 1 -8  -9  38 o 28.944  2.8500  133.357   18.690    67.694    29.064    179.658   24.406    21.560  5.1109  36.328  2.5239  -14.76817      5.700071 
1 1 1 -8  -9  39 o 29.885  2.3495  119.151   18.110    150.758   29.337    99.690    23.020    32.986  3.3677  26.785  3.2770  6.200586       4.698956 
1 1 1 -8  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -9  41 o 46.689  2.1889  298.006   26.811    325.132   42.377    279.902   34.621    48.342  3.2924  45.037  2.8852  3.304939       4.377713 
1 1 1 -8  -9  42 o 10.682  3.0512  9.1455    12.746    8.9707    22.839    9.2247    15.361    11.375  4.6728  9.9888  3.9247  1.385724       6.102306 
1 1 1 -8  -9  43 o 11.948  2.9166  18.423    12.892    -4.9869   22.048    30.585    15.891    9.5456  4.2553  14.351  3.9898  -4.805363      5.833197 
1 1 1 -8  -9  44 o 22.457  3.2338  82.342    17.650    62.268    30.780    92.177    21.544    19.575  5.5921  25.338  3.2493  -5.762653      6.467535 
1 1 1 -8  -9  45 o 11.556  2.8584  -2.5294   12.868    45.499    23.263    -23.7007  15.445    16.936  4.8688  6.1768  2.9959  10.75900       5.716736 
1 1 1 -8  -9  46 o 12.848  3.4034  16.875    14.948    39.462    27.742    7.6337    17.745    15.723  5.4254  9.9737  4.1106  5.749331       6.806764 
1 1 1 -8  -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -9  48 o 15.386  3.5264  41.268    16.874    28.334    30.658    46.889    20.210    13.805  5.5062  16.967  4.4074  -3.162446      7.052871 
1 1 1 -8  -8  1  o 241.234 4.6198  7804.91   298.493   7729.25   422.465   7880.34   421.803   240.064 6.5701  242.403 6.4965  -2.338898      9.239680 
1 1 1 -8  -8  2  o 348.166 6.5092  16278.32  607.021   16270.56  858.567   16286.08  858.347   348.082 9.2088  348.249 9.2020  -0.1666260     13.01842 
1 1 1 -8  -8  3  f 231.885 4.4194  7209.97   274.489   7193.87   388.014   7226.09   388.357   231.625 6.2542  232.144 6.2457  -0.5185547     8.838816 
1 1 1 -8  -8  4  o 234.493 4.4435  7374.13   279.037   7534.25   394.401   7213.65   394.836   237.046 6.2118  231.941 6.3555  5.104630       8.887005 
1 1 1 -8  -8  5  o 729.648 13.418  72088.59  2622.19   72658.65  3708.34   71518.55  3708.33   732.565 18.899  726.731 19.051  5.833618       26.83502 
1 1 1 -8  -8  6  o 77.149  1.9025  797.389   39.306    802.694   55.128    791.904   56.059    77.410  2.6588  76.888  2.7221  0.5224838      3.805084 
1 1 1 -8  -8  7  o 474.954 8.6950  30354.14  1106.07   30713.01  1564.13   29995.19  1564.32   477.776 12.223  472.133 12.370  5.642761       17.38990 
1 1 1 -8  -8  8  o 68.378  1.8325  626.511   33.551    640.128   47.235    612.645   47.665    69.129  2.5510  67.628  2.6314  1.500725       3.664931 
1 1 1 -8  -8  9  o 421.698 7.7722  23912.06  877.737   24418.03  1241.75   23406.81  1240.87   426.174 10.878  417.222 11.104  8.951508       15.54440 
1 1 1 -8  -8  10 o 265.235 4.9422  9437.90   351.077   9296.82   496.776   9578.67   496.220   263.251 7.0453  267.219 6.9330  -3.967804      9.884467 
1 1 1 -8  -8  11 o 310.420 5.8296  12937.97  484.607   13264.06  686.313   12613.72  684.365   314.330 8.1517  306.510 8.3359  7.819550       11.65924 
1 1 1 -8  -8  12 o 269.616 5.0757  9754.94   366.534   9873.62   519.412   9637.23   517.309   271.251 7.1491  267.980 7.2071  3.271210       10.15142 
1 1 1 -8  -8  13 o 286.510 5.4051  11022.71  414.766   10899.19  587.611   11145.36  585.529   284.905 7.7002  288.115 7.5874  -3.210419      10.81025 
1 1 1 -8  -8  14 o 447.634 8.3001  27025.14  995.097   27419.71  1408.67   26632.12  1405.89   450.915 11.663  444.353 11.812  6.562592       16.60018 
1 1 1 -8  -8  15 o 177.801 3.5254  4239.99   167.885   4293.46   238.220   4187.22   236.637   178.916 4.9710  176.687 5.0002  2.229095       7.050719 
1 1 1 -8  -8  16 o 195.193 3.8426  5114.22   200.863   5012.31   284.375   5215.67   283.751   193.247 5.4940  197.138 5.3738  -3.890533      7.685144 
1 1 1 -8  -8  17 o 147.831 3.0494  2931.84   120.729   2874.97   170.747   2988.70   170.725   146.395 4.3545  149.267 4.2702  -2.872345      6.098853 
1 1 1 -8  -8  18 o 41.917  1.7922  236.290   20.015    247.969   28.531    224.975   28.084    42.944  2.4912  40.891  2.5773  2.052715       3.584478 
1 1 1 -8  -8  19 o 277.129 5.2767  10356.80  391.538   10019.36  553.084   10695.80  554.356   272.575 7.5756  281.684 7.3475  -9.108643      10.55343 
1 1 1 -8  -8  20 o 99.887  2.3770  1338.64   63.580    1365.65   89.570    1311.22   90.265    100.905 3.3141  98.869  3.4085  2.035416       4.754097 
1 1 1 -8  -8  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -8  22 o 74.338  2.0874  741.814   41.524    765.507   58.160    717.178   59.306    75.553  2.8740  73.123  3.0280  2.429276       4.174735 
1 1 1 -8  -8  23 o 78.310  2.1292  822.232   44.650    801.294   62.413    844.180   63.901    77.289  3.0149  79.331  3.0073  -2.041664      4.258320 
1 1 1 -8  -8  24 o 102.657 2.4624  1414.52   67.695    1413.03   94.807    1416.08   96.690    102.604 3.4498  102.711 3.5146  -0.1065979     4.924763 
1 1 1 -8  -8  25 o 98.848  2.4431  1312.55   64.631    1341.98   90.247    1281.56   92.602    99.992  3.3696  97.704  3.5385  2.287994       4.886194 
1 1 1 -8  -8  26 o 79.270  2.2449  844.958   47.568    886.324   66.376    801.281   68.205    81.275  3.0490  77.265  3.2957  4.009697       4.489770 
1 1 1 -8  -8  27 o 252.685 4.8950  8641.46   331.295   8583.08   467.066   8700.56   469.991   251.825 6.9245  253.544 6.9206  -1.719040      9.790017 
1 1 1 -8  -8  28 o 101.389 2.5128  1383.09   68.139    1440.79   95.261    1322.64   97.505    103.568 3.4340  99.210  3.6693  4.358261       5.025548 
1 1 1 -8  -8  29 o 118.644 2.7061  1897.37   85.816    1804.14   123.276   1985.03   119.536   115.790 3.9748  121.498 3.6732  -5.708160      5.412143 
1 1 1 -8  -8  30 o 27.735  2.5120  114.484   16.502    69.226    25.146    148.715   21.869    22.276  4.3705  33.193  2.4776  -10.91682      5.023979 
1 1 1 -8  -8  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -8  32 o 81.018  2.3009  893.569   49.414    788.131   72.208    986.440   67.768    76.433  3.5271  85.603  2.9556  -9.170082      4.601733 
1 1 1 -8  -8  33 f 27.650  2.2488  107.153   15.780    91.460    24.415    118.412   20.681    25.758  3.6402  29.542  2.6415  -3.783398      4.497574 
1 1 1 -8  -8  34 o 44.872  2.0355  271.367   24.136    284.209   36.887    261.753   31.917    45.771  3.0259  43.972  2.7233  1.798454       4.070936 
1 1 1 -8  -8  35 o 147.857 3.2068  2997.89   126.911   3006.13   183.027   2990.25   176.129   147.989 4.6174  147.725 4.4513  0.2644653      6.413621 
1 1 1 -8  -8  36 o 87.169  2.3550  1035.07   54.731    1012.72   80.878    1053.95   74.337    86.229  3.5018  88.108  3.1499  -1.878334      4.710027 
1 1 1 -8  -8  37 o 31.764  2.4427  147.165   19.024    108.938   29.950    173.022   24.632    27.867  4.1383  35.661  2.5966  -7.794733      4.885455 
1 1 1 -8  -8  38 o 22.662  2.7212  73.270    15.318    69.077    25.119    75.752    19.328    21.957  4.4239  23.366  3.1701  -1.408789      5.442468 
1 1 1 -8  -8  39 o 50.741  2.1800  355.023   28.976    342.450   44.858    364.024   37.956    49.842  3.3801  51.639  2.7541  -1.797043      4.360070 
1 1 1 -8  -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -8  41 o 36.255  2.2898  176.141   21.518    219.628   35.203    150.202   27.189    39.666  3.3446  32.844  3.1284  6.822044       4.579660 
1 1 1 -8  -8  42 o 10.517  2.9917  5.9597    12.410    18.500    21.717    -0.1206   15.122    12.546  4.7341  8.4883  3.6593  4.057925       5.983454 
1 1 1 -8  -8  43 o 22.702  3.0186  72.219    17.005    94.482    29.431    61.061    20.836    25.080  4.5486  20.324  3.9697  4.755789       6.037271 
1 1 1 -8  -8  44 o 33.791  2.5651  162.465   21.956    176.559   36.971    154.787   27.289    34.589  4.0684  32.993  3.1252  1.595215       5.130203 
1 1 1 -8  -8  45 o 12.064  2.8275  17.069    14.275    -31.7297  25.884    38.399    17.113    8.2629  3.9754  15.865  4.0217  -7.601910      5.654901 
1 1 1 -8  -8  46 o 13.384  3.3476  15.465    14.748    51.694    28.184    1.8050    17.306    17.675  5.4296  9.0924  3.9172  8.582393       6.695175 
1 1 1 -8  -8  47 o 15.417  5.7588  38.302    31.972    38.302    31.972    0.0000    0.0000    15.417  5.7588  ?       ?       ?              ?        
1 1 1 -8  -8  48 o 25.473  3.3435  103.794   20.458    112.856   36.820    99.747    24.605    25.377  5.5698  25.569  3.7004  -0.1920547     6.687002 
1 1 1 -8  -7  1  o 272.399 5.1235  9952.79   373.818   9938.14   528.999   9967.39   528.319   272.199 7.2557  272.600 7.2357  -0.4013977     10.24699 
1 1 1 -8  -7  2  o 622.816 11.425  52361.03  1904.70   54508.33  2695.40   50219.30  2691.90   635.668 15.831  609.963 16.477  25.70435       22.84934 
1 1 1 -8  -7  3  o 379.806 7.0025  19373.38  712.359   19473.60  1007.26   19273.10  1007.60   380.791 9.8756  378.820 9.9304  1.971283       14.00500 
1 1 1 -8  -7  4  o 497.245 9.1303  33271.00  1216.00   32996.98  1719.03   33545.44  1720.34   495.187 12.961  499.303 12.864  -4.116150      18.26061 
1 1 1 -8  -7  5  f 126.735 2.6038  2151.78   88.381    2116.73   124.519   2187.38   125.466   125.695 3.6985  127.776 3.6660  -2.081009      5.207523 
1 1 1 -8  -7  6  o 360.472 6.6826  17449.10  645.078   17864.96  912.242   17033.18  912.313   364.779 9.3366  356.165 9.5632  8.614868       13.36518 
1 1 1 -8  -7  7  o 439.710 8.0723  25991.67  950.679   25681.25  1343.98   26302.55  1344.95   437.073 11.480  442.347 11.351  -5.274078      16.14469 
1 1 1 -8  -7  8  o 578.175 10.604  45063.75  1642.10   44911.16  2322.12   45216.39  2322.44   577.189 15.020  579.160 14.971  -1.970520      21.20718 
1 1 1 -8  -7  9  o 418.571 7.7200  23548.71  865.425   23952.03  1224.62   23146.34  1223.18   422.163 10.830  414.979 11.005  7.184601       15.43993 
1 1 1 -8  -7  10 o 228.882 4.3533  7024.04   266.880   7049.82   378.196   6998.47   376.659   229.301 6.1578  228.464 6.1552  0.8365326      8.706571 
1 1 1 -8  -7  11 o 105.232 2.3483  1483.25   66.180    1501.53   94.653    1465.76   92.567    105.867 3.3380  104.598 3.3040  1.268288       4.696682 
1 1 1 -8  -7  12 o 153.380 3.0879  3152.72   126.848   3151.60   180.480   3153.80   178.319   153.352 4.3939  153.407 4.3397  -0.5480957E-01 6.175714 
1 1 1 -8  -7  13 o 247.837 4.7210  8240.48   313.376   8168.72   444.078   8311.66   442.290   246.760 6.7189  248.915 6.6339  -2.155060      9.441998 
1 1 1 -8  -7  14 o 457.598 8.4629  28220.23  1037.10   27630.21  1466.78   28810.08  1466.58   452.785 12.094  462.411 11.841  -9.626678      16.92583 
1 1 1 -8  -7  15 o 277.783 5.2557  10363.61  391.033   10465.77  553.239   10261.63  552.768   279.155 7.3991  276.412 7.4662  2.742981       10.51143 
1 1 1 -8  -7  16 f 211.547 4.1130  6006.29   233.039   5928.10   329.478   6084.57   329.656   210.166 5.8530  212.927 5.7802  -2.761276      8.226025 
1 1 1 -8  -7  17 o 155.376 3.1796  3238.20   132.327   3238.95   186.887   3237.45   187.392   155.395 4.4901  155.358 4.5033  0.3660583E-01  6.359261 
1 1 1 -8  -7  18 o 142.844 2.9976  2737.44   114.683   2761.63   161.764   2713.00   162.613   143.480 4.2092  142.207 4.2692  1.272369       5.995281 
1 1 1 -8  -7  19 o 194.731 3.8495  5095.98   200.760   5168.51   283.331   5022.84   284.508   196.129 5.3934  193.334 5.4941  2.795395       7.698978 
1 1 1 -8  -7  20 o 145.645 3.0475  2847.53   118.879   2812.80   167.310   2882.95   168.941   144.748 4.3154  146.543 4.3041  -1.794907      6.094923 
1 1 1 -8  -7  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -7  22 o 368.746 6.9381  18491.52  685.256   18409.23  968.046   18574.17  970.155   367.918 9.8233  369.575 9.8005  -1.657532      13.87613 
1 1 1 -8  -7  23 o 170.732 3.4761  3920.09   158.959   3912.81   223.855   3927.49   225.760   170.574 4.8996  170.889 4.9322  -0.3150940     6.952221 
1 1 1 -8  -7  24 o 186.511 3.7447  4683.90   187.026   4778.19   263.578   4588.29   265.419   188.415 5.2228  184.607 5.3678  3.807861       7.489396 
1 1 1 -8  -7  25 o 100.522 2.4565  1356.38   66.124    1355.72   92.490    1357.07   94.571    100.499 3.4359  100.544 3.5116  -0.4509735E-01 4.912946 
1 1 1 -8  -7  26 o 61.599  2.1220  508.998   34.997    506.258   48.745    511.914   50.276    61.429  2.9626  61.768  3.0388  -0.3393250     4.243975 
1 1 1 -8  -7  27 o 71.229  2.0840  681.493   39.672    668.613   57.761    692.995   54.582    70.586  3.0551  71.871  2.8354  -1.285606      4.168077 
1 1 1 -8  -7  28 o 159.049 3.2607  3403.86   138.844   3555.47   198.640   3259.03   194.147   162.518 4.5633  155.579 4.6590  6.939362       6.521462 
1 1 1 -8  -7  29 o 113.339 2.5817  1723.86   78.237    1875.13   113.127   1585.18   108.317   118.104 3.5761  108.573 3.7247  9.531609       5.163501 
1 1 1 -8  -7  30 o 139.330 3.0786  2626.80   114.498   2428.55   164.153   2814.64   159.784   134.144 4.5686  144.516 4.1279  -10.37172      6.157273 
1 1 1 -8  -7  31 o 99.170  5.0013  1335.58   132.418   0.0000    0.0000    1335.58   132.418   ?       ?       99.170  5.0013  ?              ?        
1 1 1 -8  -7  32 o 103.429 2.4876  1439.40   68.826    1522.72   100.383   1365.49   94.548    106.244 3.5275  100.614 3.5084  5.630554       4.975126 
1 1 1 -8  -7  33 o 99.106  2.5056  1333.85   66.175    1244.69   96.399    1413.31   91.003    95.903  3.7528  102.308 3.3209  -6.405357      5.011174 
1 1 1 -8  -7  34 o 78.839  2.2432  841.611   47.171    825.583   69.593    855.233   64.157    78.106  3.3265  79.571  3.0102  -1.464981      4.486353 
1 1 1 -8  -7  35 o 82.655  2.2579  922.562   49.857    969.779   73.822    882.965   67.604    84.573  3.2589  80.738  3.1261  3.834686       4.515865 
1 1 1 -8  -7  36 o 29.731  2.2397  116.208   16.900    168.171   26.856    82.139    21.746    35.121  2.8803  24.341  3.4306  10.78029       4.479431 
1 1 1 -8  -7  37 o 49.313  2.2099  338.936   28.266    294.027   43.354    372.139   37.278    46.274  3.5243  52.352  2.6673  -6.077942      4.419858 
1 1 1 -8  -7  38 o 21.294  2.8323  65.673    15.019    59.080    24.521    69.630    18.999    20.227  4.6264  22.361  3.2687  -2.133337      5.664622 
1 1 1 -8  -7  39 o 64.084  2.1904  556.114   37.291    603.755   57.280    521.068   49.128    66.389  3.2212  61.779  2.9689  4.609474       4.380714 
1 1 1 -8  -7  40 o 29.256  4.2984  122.395   32.678    122.395   32.678    0.0000    0.0000    29.256  4.2984  ?       ?       ?              ?        
1 1 1 -8  -7  41 o 12.187  3.1105  16.363    12.568    26.787    21.560    10.997    15.467    14.002  4.7849  10.372  3.9755  3.630341       6.220901 
1 1 1 -8  -7  42 f 27.120  2.7646  106.284   18.624    105.278   31.024    106.852   23.287    26.714  4.4953  27.527  3.2192  -0.8124466     5.529159 
1 1 1 -8  -7  43 o 49.646  2.3994  352.589   30.644    335.951   49.273    363.083   39.133    48.292  3.8410  50.999  2.8765  -2.706680      4.798733 
1 1 1 -8  -7  44 f 20.392  3.3129  61.149    16.827    75.537    29.835    54.437    20.378    21.808  5.1838  18.977  4.1267  2.831272       6.625842 
1 1 1 -8  -7  45 o 45.851  2.4748  299.105   29.271    326.107   48.233    283.363   36.828    47.105  3.8566  44.597  3.1024  2.508270       4.949573 
1 1 1 -8  -7  46 o 13.938  3.3814  23.679    14.175    46.847    27.113    14.964    16.629    16.908  5.3463  10.968  4.1417  5.939807       6.762874 
1 1 1 -8  -7  47 o 11.462  3.1899  14.567    15.548    -12.7010  28.893    25.682    18.447    9.9273  4.5948  12.997  4.4261  -3.069935      6.379850 
1 1 1 -8  -7  48 o 19.989  3.7445  67.927    19.153    75.599    35.459    64.766    22.759    19.976  6.0816  20.002  4.3702  -0.2644539E-01 7.488934 
1 1 1 -8  -6  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -6  3  o 266.638 7.1009  9548.45   507.104   9684.94   718.063   9412.65   716.248   268.543 9.9830  264.733 10.101  3.810669       14.20179 
1 1 1 -8  -6  4  o 458.372 11.960  28365.66  1468.14   28950.18  2077.73   27782.77  2074.81   463.124 16.750  453.620 17.076  9.503479       23.91971 
1 1 1 -8  -6  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -6  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -6  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -6  8  o 530.389 13.853  38084.19  1968.07   38059.64  2782.03   38108.77  2784.51   530.219 19.589  530.560 19.594  -0.3406982     27.70682 
1 1 1 -8  -6  9  o 397.329 7.3176  21207.69  778.762   21150.25  1102.07   21264.98  1100.61   396.790 10.370  397.869 10.328  -1.079681      14.63516 
1 1 1 -8  -6  10 f 563.524 10.375  42798.49  1565.93   42335.92  2215.27   43260.46  2213.85   560.461 14.757  566.588 14.588  -6.127563      20.75015 
1 1 1 -8  -6  11 o 247.439 4.7000  8210.46   311.491   8277.34   441.699   8144.28   439.340   248.442 6.6376  246.437 6.6559  2.005814       9.399930 
1 1 1 -8  -6  12 o 370.012 6.8822  18391.79  682.047   18200.37  965.133   18582.76  963.989   368.082 9.7893  371.942 9.6763  -3.859741      13.76449 
1 1 1 -8  -6  13 o 246.499 4.7141  8151.05   311.194   7979.58   440.244   8322.29   439.945   243.904 6.7388  249.095 6.5939  -5.190964      9.428252 
1 1 1 -8  -6  14 o 151.486 3.1118  3076.12   126.227   2990.71   178.463   3161.63   178.561   149.379 4.4603  153.592 4.3404  -4.212448      6.223642 
1 1 1 -8  -6  15 o 540.378 10.032  39468.20  1451.72   38446.55  2052.03   40491.88  2054.06   533.315 14.365  547.441 14.008  -14.12628      20.06469 
1 1 1 -8  -6  16 o 102.666 2.3672  1412.64   65.088    1428.78   91.763    1396.29   92.337    103.257 3.3179  102.076 3.3773  1.181778       4.734351 
1 1 1 -8  -6  17 o 163.722 3.3419  3596.11   146.516   3670.52   206.701   3520.97   207.713   165.428 4.6649  162.016 4.7865  3.411591       6.683702 
1 1 1 -8  -6  18 o 141.256 2.9764  2677.08   112.580   2734.77   158.604   2618.49   159.828   142.794 4.1468  139.719 4.2708  3.074982       5.952816 
1 1 1 -8  -6  19 o 232.014 4.4783  7240.27   278.287   7307.15   392.839   7172.89   394.279   233.096 6.2920  230.932 6.3743  2.164063       8.956630 
1 1 1 -8  -6  20 o 158.541 3.2540  3374.86   138.168   3308.07   194.553   3442.82   196.255   156.956 4.6278  160.126 4.5759  -3.169632      6.508044 
1 1 1 -8  -6  21 o 348.806 13.304  16706.48  1242.97   0.0000    0.0000    16706.48  1242.97   ?       ?       348.806 13.304  ?              ?        
1 1 1 -8  -6  22 o 125.340 3.5232  2153.01   109.482   2225.21   133.094   2001.91   192.536   128.750 3.8594  121.929 5.8954  6.820969       7.046362 
1 1 1 -8  -6  23 o 72.033  2.0779  696.121   40.071    703.172   55.968    688.705   57.397    72.409  2.8857  71.656  2.9905  0.7525253      4.155789 
1 1 1 -8  -6  24 f 144.898 3.0625  2821.05   118.842   2754.38   167.087   2889.30   169.065   143.163 4.3574  146.634 4.3046  -3.470749      6.125032 
1 1 1 -8  -6  25 o 49.160  2.0248  333.842   25.760    253.301   37.541    405.504   35.411    43.324  3.2590  54.996  2.4040  -11.67160      4.049701 
1 1 1 -8  -6  26 o 124.468 2.7241  2083.87   89.914    2481.42   129.654   1715.53   124.799   135.948 3.5606  112.989 4.1237  22.95923       5.448205 
1 1 1 -8  -6  27 o 185.771 3.7096  4649.42   184.556   4641.74   263.116   4656.85   258.937   185.610 5.2924  185.932 5.1994  -0.3213348     7.419140 
1 1 1 -8  -6  28 o 84.287  2.1964  949.717   49.386    1078.59   72.211    836.468   67.692    89.643  3.0074  78.931  3.2019  10.71181       4.392789 
1 1 1 -8  -6  29 o 161.640 3.3829  3526.91   146.285   3387.12   209.146   3660.80   204.682   158.468 4.9274  164.813 4.6366  -6.344711      6.765897 
1 1 1 -8  -6  30 o 52.593  2.0116  371.457   28.116    384.908   41.999    360.534   37.848    53.444  2.9453  51.742  2.7408  1.702801       4.023233 
1 1 1 -8  -6  31 o 53.388  4.3187  387.459   61.227    0.0000    0.0000    387.459   61.227    ?       ?       53.388  4.3187  ?              ?        
1 1 1 -8  -6  32 o 35.536  2.0637  169.248   19.313    185.314   29.672    157.439   25.440    36.978  3.0222  34.093  2.8109  2.884583       4.127338 
1 1 1 -8  -6  33 o 62.420  2.0612  520.591   34.308    577.619   51.527    475.176   45.982    65.461  2.9387  59.380  2.8911  6.081844       4.122443 
1 1 1 -8  -6  34 o 75.568  2.1855  766.383   44.080    843.434   65.698    703.293   59.448    78.995  3.1050  72.141  3.0766  6.854675       4.371078 
1 1 1 -8  -6  35 o 58.947  2.0927  469.854   32.727    478.414   49.590    463.249   43.560    59.346  3.1307  58.548  2.7777  0.7987671      4.185377 
1 1 1 -8  -6  36 o 24.657  2.5269  87.183    15.488    73.156    24.480    96.545    19.999    22.764  4.1685  26.550  2.8572  -3.786610      5.053730 
1 1 1 -8  -6  37 o 36.898  2.1451  181.892   20.689    210.993   32.975    163.001   26.568    39.257  3.1628  34.538  2.8987  4.718903       4.290239 
1 1 1 -8  -6  38 o 45.021  2.1607  275.321   25.587    290.488   39.803    264.640   33.402    46.011  3.2506  44.031  2.8474  1.979862       4.321416 
1 1 1 -8  -6  39 o 9.6662  2.8132  5.0605    11.542    -1.7268   19.767    8.5719    14.218    9.5831  4.1573  9.7494  3.7913  -0.1663351     5.626493 
1 1 1 -8  -6  40 o 35.057  2.3370  169.416   21.212    177.631   33.977    164.170   27.154    35.631  3.6100  34.483  2.9688  1.147739       4.673976 
1 1 1 -8  -6  41 o 20.929  3.0151  63.438    15.707    66.116    26.587    62.003    19.467    21.053  4.8189  20.805  3.6251  0.2480755      6.030210 
1 1 1 -8  -6  42 o 15.843  3.3808  37.488    15.127    34.955    26.166    38.760    18.539    15.541  5.2714  16.144  4.2347  -0.6039200     6.761666 
1 1 1 -8  -6  43 o 36.833  2.4497  185.816   23.110    225.449   39.094    164.527   28.652    39.569  3.7327  34.098  3.1736  5.470703       4.899495 
1 1 1 -8  -6  44 o 30.264  2.7067  128.651   20.540    154.538   35.573    115.704   25.157    32.196  4.2272  28.333  3.3818  3.862988       5.413486 
1 1 1 -8  -6  45 o 20.273  3.4779  64.875    17.817    66.234    31.562    64.240    21.585    19.949  5.6502  20.597  4.0568  -0.6487617     6.955801 
1 1 1 -8  -6  46 o 16.340  3.5661  44.536    17.054    32.466    31.808    49.405    20.203    14.867  5.7005  17.813  4.2864  -2.946028      7.132219 
1 1 1 -8  -6  47 o 23.966  3.5943  106.865   21.540    62.771    37.923    127.867   26.172    18.477  6.3452  29.455  3.3784  -10.97796      7.188542 
1 1 1 -8  -6  48 o 21.093  3.5702  87.175    20.254    48.852    37.643    102.790   24.028    16.171  6.2011  26.016  3.5401  -9.845665      7.140451 
1 1 1 -8  -5  1  o 426.159 7.8576  24408.21  896.895   24231.89  1268.48   24584.47  1268.32   424.615 11.153  427.704 11.071  -3.089050      15.71517 
1 1 1 -8  -5  2  o 460.281 8.4483  28495.41  1041.18   29393.55  1472.99   27598.59  1471.91   467.560 11.762  453.002 12.131  14.55798       16.89665 
1 1 1 -8  -5  3  o 474.966 8.6908  30343.92  1105.60   30587.35  1563.34   30100.34  1563.78   476.880 12.239  473.051 12.342  3.828705       17.38157 
1 1 1 -8  -5  4  o 237.224 4.4407  7545.23   282.162   7566.24   398.589   7524.12   399.486   237.556 6.2643  236.892 6.2960  0.6634216      8.881451 
1 1 1 -8  -5  5  o 187.117 3.5610  4692.78   178.438   4579.65   251.947   4806.63   252.755   184.852 5.0886  189.381 4.9828  -4.528549      7.121914 
1 1 1 -8  -5  6  o 629.101 11.560  53408.63  1947.79   52865.70  2754.11   53951.93  2755.07   625.878 16.429  632.323 16.267  -6.444702      23.11953 
1 1 1 -8  -5  7  o 285.526 5.3165  10936.68  406.548   10757.30  575.263   11115.66  574.629   283.183 7.5842  287.870 7.4525  -4.686249      10.63297 
1 1 1 -8  -5  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -5  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -5  10 o 264.355 5.0132  9375.11   354.852   9113.76   502.577   9634.93   501.099   260.674 7.1981  268.036 6.9798  -7.361420      10.02644 
1 1 1 -8  -5  11 o 456.954 8.4690  28082.04  1036.53   27874.75  1466.23   28289.14  1465.53   455.260 12.024  458.647 11.930  -3.386566      16.93798 
1 1 1 -8  -5  12 o 620.375 11.408  51960.72  1895.08   50553.13  2679.05   53370.41  2681.04   611.900 16.346  628.851 15.917  -16.95087      22.81554 
1 1 1 -8  -5  13 o 208.955 4.0662  5853.73   227.580   5854.31   321.683   5853.16   322.010   208.965 5.7473  208.945 5.7537  0.2073669E-01  8.132466 
1 1 1 -8  -5  14 o 156.380 3.1748  3277.83   132.964   3329.13   187.714   3226.18   188.367   157.609 4.4466  155.151 4.5328  2.458466       6.349654 
1 1 1 -8  -5  15 o 459.388 8.4858  28435.01  1043.91   27720.18  1475.15   29152.11  1477.48   453.572 12.142  465.205 11.857  -11.63300      16.97154 
1 1 1 -8  -5  16 o 108.396 2.4740  1574.74   71.819    1589.63   101.016   1559.51   102.129   108.915 3.4627  107.877 3.5345  1.038010       4.948055 
1 1 1 -8  -5  17 o 318.371 5.9720  13636.38  509.265   13638.33  719.536   13634.42  720.885   318.395 8.4372  318.346 8.4543  0.4852295E-01  11.94409 
1 1 1 -8  -5  18 o 281.438 5.3377  10656.58  402.365   10585.58  568.296   10727.95  569.767   280.495 7.5642  282.380 7.5331  -1.885254      10.67539 
1 1 1 -8  -5  19 o 123.472 2.7210  2044.73   89.985    2039.40   126.623   2050.17   127.902   123.310 3.8338  123.634 3.8623  -0.3237457     5.441994 
1 1 1 -8  -5  20 o 224.700 4.3711  6793.52   263.061   6857.72   371.343   6728.84   372.710   225.772 6.1407  223.627 6.2224  2.145309       8.742195 
1 1 1 -8  -5  21 o 258.235 4.9566  8992.37   342.836   8951.72   484.066   9033.27   485.626   257.648 7.0144  258.822 7.0051  -1.173248      9.913231 
1 1 1 -8  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -5  23 o 87.360  2.2140  1023.88   51.766    1021.22   74.631    1026.34   71.864    87.248  3.1936  87.472  3.0673  -0.2241745     4.427986 
1 1 1 -8  -5  24 o 160.768 3.2985  3475.99   141.996   3431.66   202.466   3518.90   199.200   159.750 4.7317  161.786 4.5968  -2.036224      6.596994 
1 1 1 -8  -5  25 o 146.817 3.0541  2895.34   120.015   3052.70   171.840   2745.49   167.690   150.717 4.2567  142.918 4.3806  7.799316       6.108111 
1 1 1 -8  -5  26 o 35.392  2.1584  172.616   19.825    143.488   29.269    197.308   26.948    32.518  3.4113  38.266  2.6454  -5.748146      4.316875 
1 1 1 -8  -5  27 o 135.778 2.9674  2481.82   107.762   2384.10   154.479   2574.44   150.400   133.154 4.3314  138.402 4.0571  -5.247665      5.934717 
1 1 1 -8  -5  28 o 172.102 3.5380  3993.42   162.995   3900.06   232.737   4083.30   228.346   170.105 5.1081  174.100 4.8967  -3.995300      7.076073 
1 1 1 -8  -5  29 o 167.132 3.4340  3766.74   153.692   3782.00   219.976   3752.19   214.822   167.451 4.9045  166.813 4.8079  0.6381226      6.868093 
1 1 1 -8  -5  30 o 107.547 2.5784  1559.30   74.110    1509.89   107.378   1604.25   102.412   105.897 3.7857  109.198 3.5015  -3.300903      5.156718 
1 1 1 -8  -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -5  32 o 66.350  2.0901  590.284   37.004    618.930   55.251    566.983   49.830    67.794  3.0427  64.907  2.8663  2.887138       4.180144 
1 1 1 -8  -5  33 o 58.868  2.0782  467.947   32.518    466.779   48.596    468.895   43.757    58.740  3.0997  58.997  2.7691  -0.2567711     4.156422 
1 1 1 -8  -5  34 o 98.701  2.4600  1316.03   64.907    1385.32   95.516    1256.57   88.473    101.091 3.5276  96.311  3.4296  4.780373       4.919965 
1 1 1 -8  -5  35 o 45.457  2.0518  274.831   24.581    334.190   37.907    231.761   32.289    49.629  2.8638  41.285  2.9392  8.344452       4.103691 
1 1 1 -8  -5  36 o 14.377  2.9711  29.477    12.119    23.372    19.955    33.044    15.255    13.494  4.6033  15.259  3.7574  -1.764827      5.942133 
1 1 1 -8  -5  37 o 23.194  2.6404  74.240    15.370    80.063    25.387    70.871    19.311    23.806  4.1313  22.582  3.2893  1.223907       5.280804 
1 1 1 -8  -5  38 o 82.915  2.4377  949.608   53.487    879.864   80.263    1005.32   71.737    79.987  3.7464  85.844  3.1199  -5.857674      4.875361 
1 1 1 -8  -5  39 o 27.841  3.1678  107.465   23.202    0.0000    0.0000    107.465   23.202    ?       ?       27.841  3.1678  ?              ?        
1 1 1 -8  -5  40 o 23.750  2.8508  76.107    17.014    105.193   28.324    59.687    21.281    27.170  4.0128  20.330  4.0503  6.840124       5.701524 
1 1 1 -8  -5  41 o 48.158  2.3221  321.871   29.083    330.107   46.541    316.594   37.252    48.466  3.6110  47.849  2.9206  0.6171913      4.644288 
1 1 1 -8  -5  42 o 30.726  2.5970  126.699   20.231    171.067   34.468    103.382   24.988    34.559  3.7856  26.892  3.5563  7.666544       5.194038 
1 1 1 -8  -5  43 o 33.059  2.6259  155.239   21.773    167.100   37.208    149.062   26.851    33.668  4.2187  32.451  3.1279  1.216885       5.251753 
1 1 1 -8  -5  44 o 16.279  3.3894  35.070    15.509    63.998    27.539    21.634    18.769    20.049  5.1125  12.510  4.4513  7.538970       6.778741 
1 1 1 -8  -5  45 o 23.103  3.4160  92.095    19.362    61.277    33.960    106.939   23.568    19.022  5.9795  27.185  3.3048  -8.162704      6.831961 
1 1 1 -8  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -5  47 o 16.611  3.6411  47.379    17.435    39.371    33.195    50.430    20.488    15.447  5.8471  17.775  4.3408  -2.328547      7.282210 
1 1 1 -8  -5  48 o 14.425  3.7641  32.091    17.313    46.930    34.288    27.013    20.058    15.868  5.9565  12.982  4.6035  2.886158       7.528101 
1 1 1 -8  -4  1  o 362.958 6.6623  17694.55  647.375   17048.41  915.147   18341.76  915.906   356.307 9.5891  369.610 9.2516  -13.30283      13.32454 
1 1 1 -8  -4  2  o 235.783 4.4290  7455.11   279.653   7624.78   395.316   7285.14   395.661   238.472 6.1890  233.094 6.3373  5.378235       8.858006 
1 1 1 -8  -4  3  o 109.034 2.3246  1593.20   67.866    1629.16   95.551    1556.58   96.408    110.277 3.2349  107.791 3.3392  2.485596       4.649168 
1 1 1 -8  -4  4  o 154.711 3.0585  3208.33   126.648   3057.14   178.646   3361.11   179.573   151.044 4.4157  158.379 4.2331  -7.335022      6.116980 
1 1 1 -8  -4  5  o 577.404 10.675  44953.09  1650.72   45768.93  2334.98   44137.95  2333.97   582.676 14.961  572.132 15.230  10.54407       21.34950 
1 1 1 -8  -4  6  o 719.172 13.199  69993.09  2541.27   72530.38  3596.45   67463.02  3591.34   732.320 18.335  706.024 18.991  26.29590       26.39766 
1 1 1 -8  -4  7  o 183.804 3.5910  4527.60   176.783   4582.24   250.988   4473.81   249.042   184.904 5.0678  182.703 5.0891  2.201447       7.181986 
1 1 1 -8  -4  8  o 328.545 6.1141  14488.55  537.985   14269.06  761.823   14706.89  759.832   326.056 8.7231  331.034 8.5695  -4.977173      12.22823 
1 1 1 -8  -4  9  o 69.897  1.9066  655.464   35.638    622.615   50.909    687.030   49.905    68.176  2.7879  71.617  2.6016  -3.440933      3.813204 
1 1 1 -8  -4  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -4  11 o 532.700 9.8104  38219.73  1399.43   37214.93  1978.19   39226.36  1979.99   525.653 14.050  539.747 13.696  -14.09454      19.62086 
1 1 1 -8  -4  12 o 574.480 10.614  44494.69  1633.28   44422.71  2309.38   44566.72  2310.22   574.013 15.021  574.947 15.002  -0.9345093     21.22881 
1 1 1 -8  -4  13 o 520.504 9.6296  36495.11  1342.52   36464.66  1898.02   36525.60  1899.20   520.286 13.620  520.721 13.617  -0.4352417     19.25920 
1 1 1 -8  -4  14 o 604.452 11.089  49352.52  1794.83   48080.10  2536.65   50628.20  2539.90   596.586 15.874  612.318 15.486  -15.73199      22.17715 
1 1 1 -8  -4  15 o 73.452  2.0216  722.759   39.770    721.788   55.859    723.756   56.634    73.402  2.8412  73.501  2.8767  -0.9972382E-01 4.043224 
1 1 1 -8  -4  16 o 287.892 5.4281  11132.98  418.414   10762.20  590.872   11505.92  592.585   283.070 7.7931  292.713 7.5582  -9.642426      10.85630 
1 1 1 -8  -4  17 o 319.657 6.0103  13745.78  514.531   13986.48  727.248   13504.54  728.067   322.472 8.4198  316.841 8.5791  5.630402       12.02054 
1 1 1 -8  -4  18 o 263.787 5.0323  9355.84   355.553   9390.53   502.208   9320.98   503.450   264.280 7.0946  263.293 7.1388  0.9869385      10.06463 
1 1 1 -8  -4  19 o 250.559 4.8092  8447.14   322.718   8578.59   455.817   8315.02   456.969   252.525 6.7390  248.594 6.8629  3.930298       9.618405 
1 1 1 -8  -4  20 o 288.922 5.4779  11261.29  423.853   11064.82  600.526   11456.31  598.317   286.389 7.8286  291.456 7.6643  -5.066406      10.95575 
1 1 1 -8  -4  21 o 116.361 2.6248  1819.18   81.700    1741.13   116.754   1894.07   114.365   113.905 3.8268  118.816 3.5936  -4.911591      5.249613 
1 1 1 -8  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -4  23 o 201.477 4.0224  5474.16   216.698   5139.30   307.841   5803.08   305.092   195.322 5.8842  207.632 5.4859  -12.31000      8.044805 
1 1 1 -8  -4  24 o 51.723  1.8862  356.839   25.982    400.485   38.487    320.293   35.218    54.650  2.6292  48.797  2.7051  5.853409       3.772333 
1 1 1 -8  -4  25 o 125.396 2.7946  2113.74   93.777    2065.17   134.549   2159.62   130.772   123.985 4.0516  126.808 3.8502  -2.822769      5.589191 
1 1 1 -8  -4  26 o 116.720 2.6416  1827.98   82.549    1889.88   118.871   1770.32   114.722   118.627 3.7411  114.814 3.7305  3.812790       5.283238 
1 1 1 -8  -4  27 o 142.755 3.0671  2743.89   117.122   2641.32   167.833   2841.25   163.522   140.133 4.4715  145.377 4.1995  -5.243927      6.134280 
1 1 1 -8  -4  28 o 150.916 3.1628  3064.61   127.814   3099.12   183.281   3031.94   178.333   151.736 4.5096  150.095 4.4358  1.641327       6.325603 
1 1 1 -8  -4  29 f 73.308  2.1898  726.697   42.673    670.289   62.758    775.204   58.197    70.628  3.3174  75.987  2.8594  -5.359077      4.379638 
1 1 1 -8  -4  30 o 35.165  2.1083  167.271   19.475    168.000   29.707    166.721   25.790    35.207  3.1847  35.124  2.7637  0.8359146E-01  4.216695 
1 1 1 -8  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -4  32 o 44.990  2.2993  292.172   25.538    187.800   38.232    376.260   34.316    37.072  3.9093  52.908  2.4215  -15.83675      4.598523 
1 1 1 -8  -4  33 o 77.236  2.2247  803.862   45.848    820.836   68.173    789.845   61.950    77.956  3.2649  76.517  3.0227  1.439423       4.449326 
1 1 1 -8  -4  34 o 25.299  2.4151  89.146    15.411    84.360    24.726    92.186    19.706    24.626  3.8768  25.972  2.8813  -1.345392      4.830292 
1 1 1 -8  -4  35 o 21.364  2.7404  68.169    14.334    49.573    23.213    79.630    18.224    18.633  4.6626  24.094  2.8809  -5.461899      5.480802 
1 1 1 -8  -4  36 o 35.488  2.2360  173.188   20.497    168.658   32.549    176.165   26.386    35.008  3.5189  35.968  2.7599  -0.9602013     4.472051 
1 1 1 -8  -4  37 o 18.956  2.8798  56.901    14.236    27.947    22.897    75.146    18.176    14.576  4.9313  23.336  2.9757  -8.759836      5.759539 
1 1 1 -8  -4  38 o 54.481  2.1906  403.497   31.464    424.039   48.819    388.901   41.150    55.586  3.2936  53.375  2.8891  2.210640       4.381168 
1 1 1 -8  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -4  40 o 47.177  2.2831  306.774   28.047    316.155   44.790    300.723   35.972    47.613  3.5373  46.741  2.8874  0.8715668      4.566185 
1 1 1 -8  -4  41 o 33.615  2.4854  150.230   21.369    203.091   35.846    121.091   26.615    37.951  3.5683  29.278  3.4607  8.672731       4.970851 
1 1 1 -8  -4  42 o 7.7410  2.5213  -8.4482   11.124    -19.3023  21.510    -4.4857   12.997    8.2042  3.8522  7.2778  3.2540  0.9263725      5.042601 
1 1 1 -8  -4  43 o 35.489  2.7854  192.016   23.909    155.186   39.550    213.227   30.015    32.002  4.7590  38.976  2.8958  -6.974567      5.570765 
1 1 1 -8  -4  44 o 13.285  3.2826  25.806    15.356    2.9729    28.423    35.217    18.248    11.397  4.9647  15.172  4.2960  -3.774693      6.565298 
1 1 1 -8  -4  45 o 13.330  3.1073  26.273    15.663    -16.0010  29.538    42.809    18.474    9.9707  4.6258  16.690  4.1501  -6.719100      6.214613 
1 1 1 -8  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -4  47 o 13.413  3.5195  26.670    15.689    27.585    30.307    26.335    18.336    13.801  5.4840  13.026  4.4129  0.7755432      7.039030 
1 1 1 -8  -3  1  o 315.864 5.8918  13393.30  498.267   13839.14  704.977   12948.27  704.336   321.129 8.1961  310.600 8.4662  10.52930       11.78359 
1 1 1 -8  -3  2  o 233.117 4.3783  7287.33   273.340   7421.80   386.198   7152.35   386.927   235.275 6.1284  230.959 6.2547  4.315857       8.756598 
1 1 1 -8  -3  3  o 313.009 5.8213  13148.44  488.045   13086.54  689.713   13210.53  690.688   312.270 8.2461  313.748 8.2189  -1.477966      11.64250 
1 1 1 -8  -3  4  o 178.522 3.4400  4271.61   164.462   4175.91   232.351   4367.69   232.818   176.517 4.9144  180.527 4.8149  -4.010468      6.879982 
1 1 1 -8  -3  5  o 230.126 4.3583  7103.81   268.477   6825.88   380.090   7380.57   379.278   225.626 6.2894  234.626 6.0352  -8.999649      8.716663 
1 1 1 -8  -3  6  o 417.353 7.6987  23410.73  860.602   23305.75  1218.10   23515.37  1216.05   416.414 10.921  418.291 10.854  -1.877716      15.39734 
1 1 1 -8  -3  7  o 278.669 5.2551  10417.18  392.240   10402.96  555.707   10431.30  553.721   278.478 7.4502  278.860 7.4134  -0.3813171     10.51014 
1 1 1 -8  -3  8  o 340.233 6.3589  15539.58  579.487   15561.97  819.925   15517.24  819.114   340.478 8.9908  339.988 8.9948  0.4901123      12.71771 
1 1 1 -8  -3  9  o 593.869 10.964  47563.36  1743.82   48311.11  2466.68   46816.25  2465.59   598.567 15.385  589.171 15.624  9.395874       21.92762 
1 1 1 -8  -3  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -3  11 o 340.164 9.0021  15571.90  819.896   16076.43  1160.27   15068.70  1158.74   345.693 12.531  334.635 12.928  11.05823       18.00424 
1 1 1 -8  -3  12 o 587.083 10.804  46478.35  1698.69   45636.02  2401.13   47322.34  2403.50   581.723 15.410  592.443 15.146  -10.71985      21.60760 
1 1 1 -8  -3  13 o 418.409 7.7306  23532.38  866.365   23612.32  1224.81   23452.34  1225.64   419.123 10.910  417.694 10.955  1.428558       15.46122 
1 1 1 -8  -3  14 o 518.204 9.5455  36192.94  1324.38   34969.06  1871.52   37420.58  1874.39   509.376 13.717  527.033 13.278  -17.65732      19.09105 
1 1 1 -8  -3  15 o 151.422 3.1282  3072.93   126.873   3052.72   178.889   3093.37   179.966   150.921 4.4253  151.923 4.4226  -1.001694      6.256427 
1 1 1 -8  -3  16 o 60.212  1.9051  485.624   30.722    479.842   43.078    491.608   43.825    59.848  2.6874  60.577  2.7010  -0.7292213     3.810149 
1 1 1 -8  -3  17 o 86.801  2.2900  1026.12   52.138    795.710   74.350    1249.06   73.135    77.051  3.6026  96.551  2.8280  -19.50005      4.579943 
1 1 1 -8  -3  18 o 75.646  2.0367  766.797   41.245    768.360   59.318    765.333   57.389    75.720  2.9248  75.572  2.8352  0.1477509      4.073386 
1 1 1 -8  -3  19 o 247.715 4.7747  8257.05   316.717   8070.71   449.049   8441.51   446.770   244.917 6.8452  250.512 6.6584  -5.594208      9.549360 
1 1 1 -8  -3  20 o 158.564 3.2455  3375.46   137.830   3398.71   196.334   3352.86   193.539   159.102 4.6071  158.028 4.5724  1.073868       6.490982 
1 1 1 -8  -3  21 o 161.480 3.2969  3502.11   142.579   3581.42   203.206   3425.21   200.105   163.283 4.6463  159.679 4.6787  3.603867       6.593794 
1 1 1 -8  -3  22 o 22.455  4.2055  69.913    24.364    69.913    24.364    0.0000    0.0000    22.455  4.2055  ?       ?       ?              ?        
1 1 1 -8  -3  23 o 33.803  1.8398  154.212   16.469    152.902   24.280    155.329   22.414    33.659  2.7163  33.948  2.4822  -0.2890396     3.679617 
1 1 1 -8  -3  24 o 88.723  2.2959  1059.92   54.370    989.297   78.395    1125.37   75.469    85.857  3.4090  91.589  3.0763  -5.732513      4.591861 
1 1 1 -8  -3  25 o 80.740  2.2017  874.814   47.545    871.928   69.067    877.413   65.547    80.609  3.1989  80.871  3.0260  -0.2614365     4.403365 
1 1 1 -8  -3  26 o 129.229 2.8338  2242.35   98.054    2296.88   140.990   2191.27   136.460   130.748 4.0259  127.711 3.9892  3.037460       5.667631 
1 1 1 -8  -3  27 f 110.575 2.5484  1639.77   75.423    1715.98   109.099   1569.99   104.385   113.033 3.6035  108.118 3.6046  4.915092       5.096897 
1 1 1 -8  -3  28 o 76.821  2.1905  794.407   44.888    765.603   65.827    819.442   61.370    75.506  3.2549  78.136  2.9323  -2.629738      4.380970 
1 1 1 -8  -3  29 o 54.004  2.0047  388.238   28.794    438.800   43.284    348.102   38.564    57.168  2.8267  50.839  2.8434  6.329483       4.009430 
1 1 1 -8  -3  30 o 29.417  2.5342  126.707   17.994    85.321    27.806    156.522   23.601    24.792  4.3458  34.041  2.6083  -9.249403      5.068458 
1 1 1 -8  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -3  32 o 71.700  2.2189  698.332   42.222    642.717   62.516    744.974   57.252    69.018  3.3818  74.383  2.8736  -5.364662      4.437797 
1 1 1 -8  -3  33 o 39.718  2.1288  216.547   22.064    199.048   33.722    229.646   29.175    38.234  3.3261  41.203  2.6578  -2.969143      4.257563 
1 1 1 -8  -3  34 o 50.914  2.0474  345.172   27.547    400.663   42.601    305.297   36.112    54.371  2.9361  47.457  2.8542  6.914089       4.094782 
1 1 1 -8  -3  35 f 79.381  2.3167  857.900   48.914    833.887   73.033    877.433   65.869    78.301  3.4823  80.461  3.0564  -2.160263      4.633325 
1 1 1 -8  -3  36 o 36.267  2.2200  180.861   20.892    175.590   32.789    184.464   27.108    35.731  3.4697  36.803  2.7703  -1.071205      4.439970 
1 1 1 -8  -3  37 o 23.813  2.8205  82.661    16.354    70.926    27.323    89.212    20.415    22.196  4.7400  25.431  3.0584  -3.235229      5.641058 
1 1 1 -8  -3  38 o 31.441  2.6809  147.497   20.201    106.921   32.611    172.760   25.732    27.335  4.6187  35.547  2.7233  -8.211863      5.361757 
1 1 1 -8  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -3  40 o 30.781  2.6035  135.271   20.054    127.797   33.011    139.642   25.246    29.834  4.2512  31.727  3.0067  -1.893425      5.207045 
1 1 1 -8  -3  41 o 25.786  2.8877  92.753    18.573    110.104   31.686    83.671    22.924    27.398  4.4721  24.174  3.6545  3.223974       5.775416 
1 1 1 -8  -3  42 o 10.838  3.1188  6.0195    13.280    19.913    24.398    0.1704    15.831    13.001  4.9907  8.6744  3.7418  4.326756       6.237649 
1 1 1 -8  -3  43 o 46.461  2.5291  314.404   29.773    293.057   48.861    327.011   37.549    44.662  4.1313  48.260  2.9186  -3.597832      5.058246 
1 1 1 -8  -3  44 o 8.7424  2.7985  -4.8421   13.055    -16.9617  25.404    -0.4924   15.219    9.1381  4.2564  8.3468  3.6344  0.7913551      5.596948 
1 1 1 -8  -3  45 o 14.042  3.2653  31.465    15.385    5.4488    29.341    41.331    18.068    11.687  5.0676  16.397  4.1192  -4.709814      6.530532 
1 1 1 -8  -3  46 f 18.380  3.5838  61.703    19.103    31.301    36.303    73.343    22.464    14.840  5.9663  21.921  3.9722  -7.081234      7.167611 
1 1 1 -8  -3  47 o 12.391  3.4654  20.557    15.798    17.926    31.392    21.450    18.282    12.724  5.3712  12.059  4.3803  0.6651077      6.930823 
1 1 1 -8  -2  1  o 486.252 8.8915  31829.66  1157.65   32807.15  1637.73   30853.54  1636.59   493.751 12.384  478.753 12.763  14.99811       17.78302 
1 1 1 -8  -2  2  o 114.977 2.4146  1770.90   74.349    1726.50   104.593   1816.24   105.706   113.520 3.4398  116.434 3.3895  -2.913620      4.829198 
1 1 1 -8  -2  3  o 493.472 9.0566  32783.70  1196.87   32090.53  1691.87   33478.13  1693.40   488.224 12.938  498.720 12.677  -10.49582      18.11328 
1 1 1 -8  -2  4  o 251.954 4.7329  8513.42   319.398   8557.92   452.463   8469.23   450.934   252.610 6.6872  251.297 6.6994  1.313095       9.465741 
1 1 1 -8  -2  5  o 370.032 6.8129  18390.15  675.239   18442.94  956.211   18337.64  953.659   370.562 9.6339  369.503 9.6358  1.059570       13.62573 
1 1 1 -8  -2  6  o 283.498 5.3135  10782.43  403.445   10953.43  571.420   10612.46  569.697   285.742 7.4661  281.253 7.5624  4.488861       10.62693 
1 1 1 -8  -2  7  o 322.256 6.0468  13938.79  521.927   14042.62  738.352   13835.10  737.882   323.458 8.5223  321.054 8.5806  2.403778       12.09367 
1 1 1 -8  -2  8  o 156.284 3.1802  3273.48   133.103   3337.10   188.016   3209.55   188.457   157.807 4.4481  154.760 4.5464  3.047180       6.360447 
1 1 1 -8  -2  9  f 615.610 11.341  51137.61  1869.98   51575.45  2644.40   50699.68  2644.70   618.266 15.968  612.954 16.109  5.311829       22.68217 
1 1 1 -8  -2  10 o 480.111 8.8377  31009.63  1136.47   30724.19  1606.59   31295.53  1607.84   477.891 12.551  482.332 12.445  -4.441193      17.67545 
1 1 1 -8  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -2  12 o 316.671 5.9336  13458.66  503.239   13669.28  711.362   13247.65  712.012   319.157 8.3214  314.185 8.4608  4.971497       11.86726 
1 1 1 -8  -2  13 o 261.803 4.9749  9193.32   348.856   9216.91   492.833   9169.62   493.882   262.140 7.0190  261.465 7.0521  0.6752319      9.949839 
1 1 1 -8  -2  14 o 221.482 4.3155  6584.74   255.648   6193.10   362.077   6974.08   361.008   214.900 6.2904  228.065 5.9097  -13.16539      8.630978 
1 1 1 -8  -2  15 o 192.680 3.7717  4996.23   193.190   5747.83   274.856   4262.35   271.597   207.070 4.9556  178.289 5.6874  28.78075       7.543491 
1 1 1 -8  -2  16 o 171.739 3.4560  3955.16   158.944   3896.78   225.822   4012.47   223.753   170.481 4.9454  172.997 4.8288  -2.516739      6.911908 
1 1 1 -8  -2  17 o 338.093 6.3524  15388.11  575.033   14912.09  814.063   15862.17  812.379   332.845 9.1312  343.341 8.8337  -10.49493      12.70485 
1 1 1 -8  -2  18 f 417.619 7.8288  23586.32  875.603   23166.47  1239.28   24004.83  1237.31   413.868 11.179  421.369 10.963  -7.501190      15.65768 
1 1 1 -8  -2  19 o 242.188 4.6676  7891.84   302.717   7732.68   429.346   8049.18   426.878   239.745 6.6860  244.631 6.5148  -4.885223      9.335212 
1 1 1 -8  -2  20 o 47.762  1.9724  318.062   24.022    220.843   34.814    406.415   33.189    40.453  3.2403  55.071  2.2500  -14.61811      3.944894 
1 1 1 -8  -2  21 f 152.990 3.9215  3160.81   150.261   3113.21   263.329   3183.80   182.974   152.012 6.4675  153.969 4.4368  -1.956833      7.843028 
1 1 1 -8  -2  22 f 252.813 4.8372  8623.12   327.477   8881.57   465.073   8368.97   461.197   256.591 6.7669  249.036 6.9141  7.554276       9.674493 
1 1 1 -8  -2  23 o 139.878 2.9585  2626.93   110.812   2711.70   158.629   2546.15   154.863   142.082 4.1682  137.674 4.1996  4.408569       5.916993 
1 1 1 -8  -2  24 o 71.747  2.0928  692.035   40.109    665.115   58.210    716.369   55.343    70.411  3.0865  73.084  2.8272  -2.672905      4.185652 
1 1 1 -8  -2  25 o 117.598 2.6353  1853.81   82.722    2077.71   119.638   1648.70   114.505   124.401 3.5905  110.795 3.8584  13.60627       5.270609 
1 1 1 -8  -2  26 o 35.677  2.0586  172.279   19.401    167.621   28.677    176.210   26.346    35.211  3.0714  36.142  2.7420  -0.9309120     4.117237 
1 1 1 -8  -2  27 o 82.626  2.2576  919.336   49.759    877.658   72.723    956.024   68.231    80.850  3.3582  84.403  3.0181  -3.553062      4.515131 
1 1 1 -8  -2  28 o 20.762  2.6487  62.748    13.728    44.999    21.063    75.859    18.102    17.931  4.4150  23.593  2.9274  -5.662542      5.297335 
1 1 1 -8  -2  29 o 82.556  2.2392  913.769   49.414    946.466   72.693    885.684   67.372    83.920  3.2340  81.192  3.0980  2.727654       4.478438 
1 1 1 -8  -2  30 o 53.849  2.0711  388.547   29.618    414.102   44.583    368.358   39.626    55.418  3.0148  52.279  2.8405  3.139111       4.142177 
1 1 1 -8  -2  31 o 37.287  4.4203  190.713   43.287    190.713   43.287    0.0000    0.0000    37.287  4.4203  ?       ?       ?              ?        
1 1 1 -8  -2  32 o 31.355  2.1288  128.612   17.128    180.073   27.075    94.274    22.117    36.464  2.7933  26.246  3.2132  10.21854       4.257643 
1 1 1 -8  -2  33 o 65.314  2.1832  581.342   37.707    541.242   56.396    613.760   50.707    63.169  3.3451  67.459  2.8064  -4.289444      4.366375 
1 1 1 -8  -2  34 o 75.904  2.2323  775.443   45.175    828.562   67.942    733.350   60.481    78.197  3.2439  73.612  3.0674  4.584534       4.464517 
1 1 1 -8  -2  35 o 31.936  2.2183  137.363   18.470    153.180   29.167    126.773   23.865    33.422  3.3014  30.450  2.9637  2.971943       4.436534 
1 1 1 -8  -2  36 o 44.239  2.1743  267.632   25.118    264.526   39.362    269.765   32.623    43.937  3.3704  44.541  2.7479  -0.6031036     4.348619 
1 1 1 -8  -2  37 o 31.987  2.5060  145.357   20.024    128.282   32.597    155.705   25.377    30.234  4.1335  33.740  2.8343  -3.505981      5.011943 
1 1 1 -8  -2  38 o 55.234  2.2516  413.466   32.672    449.018   51.624    389.711   42.198    57.105  3.3903  53.362  2.9640  3.743267       4.503266 
1 1 1 -8  -2  39 o 38.986  2.3794  211.269   23.879    209.827   38.503    212.171   30.441    38.706  3.7614  39.265  2.9152  -0.5586815     4.758826 
1 1 1 -8  -2  40 o 19.351  3.2346  49.146    15.946    79.813    28.348    34.951    19.286    23.244  4.7146  15.458  4.4300  7.785421       6.469281 
1 1 1 -8  -2  41 o 17.775  3.2755  43.590    15.160    62.732    26.479    34.257    18.490    20.333  4.9161  15.216  4.3297  5.116784       6.550933 
1 1 1 -8  -2  42 o 38.349  2.4635  199.074   24.262    255.652   40.950    168.469   30.117    42.245  3.6550  34.453  3.3041  7.792030       4.927068 
1 1 1 -8  -2  43 o 16.853  3.2735  35.997    15.460    73.366    27.372    18.491    18.734    21.728  4.8285  11.978  4.4212  9.749789       6.546909 
1 1 1 -8  -2  44 f 12.655  2.9937  1.3700    13.815    55.437    25.880    -20.1772  16.338    18.618  5.0581  6.6922  3.2036  11.92613       5.987305 
1 1 1 -8  -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -2  46 o 36.039  2.9277  192.586   25.849    215.870   46.309    182.048   31.154    36.823  4.8101  35.254  3.3391  1.569885       5.855454 
1 1 1 -8  -2  47 o 32.466  3.2227  164.998   25.109    185.650   45.629    156.028   30.072    32.829  5.3751  32.104  3.5570  0.7255707      6.445500 
1 1 1 -8  -1  1  o 501.678 9.2307  33894.64  1240.12   33106.70  1752.54   34684.85  1755.06   495.808 13.197  507.548 12.910  -11.74054      18.46135 
1 1 1 -8  -1  2  o 317.695 5.8937  13549.22  501.380   13169.74  708.445   13930.02  709.672   313.228 8.4442  322.162 8.2242  -8.933411      11.78735 
1 1 1 -8  -1  3  f 225.847 4.2671  6838.83   258.117   6941.17   366.060   6737.62   364.013   227.529 6.0066  224.165 6.0626  3.363342       8.534299 
1 1 1 -8  -1  4  o 341.165 6.3293  15627.52  578.355   15791.04  819.237   15465.05  816.606   342.947 8.9185  339.383 8.9833  3.564575       12.65856 
1 1 1 -8  -1  5  o 195.194 3.8219  5107.57   199.789   5221.67   283.005   4994.22   282.087   197.369 5.3534  193.019 5.4562  4.349838       7.643886 
1 1 1 -8  -1  6  o 625.647 11.550  52857.89  1935.47   52698.69  2736.87   53017.15  2737.48   624.698 16.357  626.597 16.311  -1.899170      23.09936 
1 1 1 -8  -1  7  o 195.644 3.8202  5130.71   200.187   5103.29   282.669   5158.30   283.547   195.120 5.4086  196.169 5.3964  -1.049210      7.640336 
1 1 1 -8  -1  8  o 460.233 8.4843  28489.44  1045.88   28423.35  1478.69   28555.61  1479.51   459.697 12.009  460.768 11.988  -1.071838      16.96866 
1 1 1 -8  -1  9  o 318.629 5.9641  13625.12  508.997   13522.81  719.330   13727.71  720.332   317.429 8.4604  319.829 8.4086  -2.399872      11.92829 
1 1 1 -8  -1  10 o 438.350 8.0944  25843.88  949.555   24571.05  1341.36   27122.49  1344.40   427.486 11.715  449.213 11.173  -21.72702      16.18890 
1 1 1 -8  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -1  12 o 171.426 3.4527  3940.10   158.458   3816.62   224.795   4062.04   223.399   168.753 4.9733  174.099 4.7907  -5.345566      6.905380 
1 1 1 -8  -1  13 o 173.456 3.5790  4053.73   165.054   3495.45   233.845   4607.98   233.001   161.482 5.4065  185.429 4.6913  -23.94661      7.158072 
1 1 1 -8  -1  14 o 72.835  2.0234  714.844   38.689    903.023   55.857    541.304   53.640    82.105  2.5399  63.565  3.1505  18.54053       4.046820 
1 1 1 -8  -1  15 o 323.232 6.0375  14033.18  522.622   14364.47  740.443   13704.29  737.761   327.043 8.4527  319.421 8.6231  7.621948       12.07503 
1 1 1 -8  -1  16 o 335.156 6.3081  15105.94  566.098   14681.33  801.379   15528.87  799.790   330.435 9.0545  339.878 8.7854  -9.443787      12.61616 
1 1 1 -8  -1  17 o 297.928 5.5751  11939.57  444.453   12591.46  630.311   11294.91  626.805   306.048 7.6891  289.807 8.0748  16.24097       11.15014 
1 1 1 -8  -1  18 o 183.647 3.6508  4526.35   179.540   4662.77   255.317   4392.92   252.520   186.388 5.1142  180.906 5.2114  5.481430       7.301582 
1 1 1 -8  -1  19 o 148.900 3.0682  2975.34   122.164   3205.97   174.373   2753.02   171.203   154.575 4.2116  143.224 4.4628  11.35139       6.136317 
1 1 1 -8  -1  20 o 91.063  2.2489  1111.69   54.826    1121.29   78.918    1102.73   76.224    91.441  3.2221  90.684  3.1381  0.7568283      4.497791 
1 1 1 -8  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -1  22 o 160.269 3.2759  3451.11   140.609   3510.54   200.774   3393.91   196.982   161.622 4.6379  158.915 4.6278  2.706284       6.551805 
1 1 1 -8  -1  23 o 220.985 4.3336  6583.99   256.476   6530.96   364.759   6635.85   360.700   220.091 6.1875  221.880 6.0693  -1.788452      8.667270 
1 1 1 -8  -1  24 o 177.706 3.5889  4248.85   170.804   4292.68   243.853   4206.64   239.317   178.602 5.0975  176.810 5.0533  1.791626       7.177762 
1 1 1 -8  -1  25 o 116.386 2.6243  1816.00   81.730    1928.89   118.089   1712.20   113.232   119.855 3.6784  112.917 3.7439  6.937790       5.248570 
1 1 1 -8  -1  26 o 63.868  2.0392  544.182   34.786    598.275   51.402    498.474   47.250    66.780  2.8737  60.956  2.8940  5.824669       4.078415 
1 1 1 -8  -1  27 o 57.269  2.0075  436.179   30.567    501.544   45.814    383.736   41.036    61.140  2.7976  53.399  2.8797  7.740719       4.014905 
1 1 1 -8  -1  28 o 143.358 3.1072  2768.54   119.211   2737.21   171.566   2797.78   165.764   142.555 4.4932  144.160 4.2930  -1.604553      6.214387 
1 1 1 -8  -1  29 o 31.454  2.1828  134.710   17.935    130.826   27.287    137.664   23.797    31.016  3.3371  31.893  2.8146  -0.8770065     4.365570 
1 1 1 -8  -1  30 o 46.076  4.4751  289.544   54.532    0.0000    0.0000    289.544   54.532    ?       ?       46.076  4.4751  ?              ?        
1 1 1 -8  -1  31 o 99.915  2.5359  1352.76   67.525    1274.83   98.755    1421.18   92.539    97.157  3.7949  102.674 3.3649  -5.517044      5.071850 
1 1 1 -8  -1  32 f 14.681  2.5661  23.079    11.291    57.898    18.864    3.6384    14.096    20.402  3.5827  8.9598  3.6747  11.44231       5.132188 
1 1 1 -8  -1  33 f 30.239  2.2550  126.510   17.496    117.638   27.472    132.565   22.694    29.247  3.5817  31.231  2.7406  -1.984541      4.509933 
1 1 1 -8  -1  34 f 55.913  2.0969  418.516   31.044    470.393   47.716    380.442   40.877    58.868  3.0365  52.959  2.8927  5.908672       4.193832 
1 1 1 -8  -1  35 o 24.984  2.5201  88.152    15.847    79.988    25.044    93.603    20.465    23.855  4.0653  26.113  2.9793  -2.258043      5.040146 
1 1 1 -8  -1  36 o 20.119  2.8349  55.790    14.342    64.549    23.772    50.777    17.984    21.278  4.3186  18.961  3.6738  2.317093       5.669849 
1 1 1 -8  -1  37 o 10.772  2.9413  10.768    11.535    11.957    19.844    10.161    14.176    11.483  4.4753  10.061  3.8180  1.421593       5.882593 
1 1 1 -8  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -1  39 o 8.9709  2.5610  -0.0585   11.346    -32.6743  20.206    14.960    13.711    7.0533  3.4223  10.889  3.8110  -3.835353      5.122087 
1 1 1 -8  -1  40 o 10.561  3.0525  7.9805    13.298    -1.1823   24.112    11.986    15.942    10.499  4.5731  10.623  4.0446  -0.1234026     6.105028 
1 1 1 -8  -1  41 o 23.071  2.9722  75.133    16.942    89.921    29.358    67.748    20.746    24.521  4.6398  21.622  3.7161  2.899248       5.944489 
1 1 1 -8  -1  42 o 15.884  3.4222  39.158    15.438    32.213    28.332    42.092    18.412    15.045  5.4548  16.722  4.1341  -1.677588      6.844408 
1 1 1 -8  -1  43 o 20.025  3.5169  62.904    17.703    62.922    32.506    62.896    21.108    19.551  5.7941  20.499  3.9878  -0.9482269     7.033832 
1 1 1 -8  -1  44 f 28.207  3.2457  127.910   21.426    104.400   37.298    139.490   26.176    25.217  5.6608  31.196  3.1771  -5.978884      6.491432 
1 1 1 -8  -1  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  -1  46 o 32.091  3.5184  175.010   25.735    143.672   45.894    189.384   31.082    28.242  6.2338  35.940  3.2644  -7.697697      7.036770 
1 1 1 -8  0   1  o 97.379  2.1767  1270.38   56.773    1273.15   79.971    1267.56   80.611    97.486  3.0627  97.272  3.0940  0.2145920      4.353473 
1 1 1 -8  0   2  o 570.120 10.444  43841.74  1594.75   44280.80  2256.83   43403.86  2253.79   572.988 14.705  567.251 14.834  5.737183       20.88721 
1 1 1 -8  0   3  o 223.803 4.2765  6715.72   256.344   6800.93   363.582   6631.49   361.478   225.215 6.0272  222.390 6.0684  2.825073       8.552961 
1 1 1 -8  0   4  o 156.146 3.1535  3267.39   131.889   3277.23   186.458   3257.54   186.579   156.382 4.4515  155.911 4.4679  0.4707794      6.306951 
1 1 1 -8  0   5  o 393.789 7.3044  20837.97  770.439   20842.07  1089.16   20833.86  1089.97   393.828 10.325  393.749 10.335  0.7876587E-01  14.60886 
1 1 1 -8  0   6  o 193.250 3.7839  5006.12   195.841   4910.82   276.508   5102.06   277.417   191.403 5.3935  195.097 5.3088  -3.694138      7.567868 
1 1 1 -8  0   7  o 206.245 3.9757  5724.50   218.095   6537.63   309.639   4923.91   307.241   220.850 5.2344  191.640 5.9855  29.21004       7.951478 
1 1 1 -8  0   8  o 330.199 6.1181  14661.38  539.380   16058.37  764.560   13277.19  761.050   345.921 8.2518  314.478 9.0351  31.44250       12.23620 
1 1 1 -8  0   9  o 529.688 9.7064  37795.43  1376.38   39259.35  1948.38   36337.16  1944.61   539.983 13.471  519.392 13.978  20.59106       19.41288 
1 1 1 -8  0   10 f 184.429 3.6314  4559.33   179.304   4741.22   254.460   4379.96   252.696   188.085 5.0510  180.773 5.2189  7.312164       7.262842 
1 1 1 -8  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  0   12 o 475.366 8.8323  30421.33  1123.54   28908.13  1588.62   31935.69  1589.23   463.477 12.797  487.255 12.177  -23.77716      17.66463 
1 1 1 -8  0   13 o 220.371 4.3588  6532.15   256.109   5819.87   362.486   7242.13   361.901   208.323 6.4963  232.419 5.8134  -24.09592      8.717617 
1 1 1 -8  0   14 o 157.234 3.2031  3313.12   134.895   3338.58   191.775   3288.18   189.780   157.832 4.5364  156.636 4.5234  1.195633       6.406265 
1 1 1 -8  0   15 o 419.179 7.8203  23663.44  877.336   22588.86  1241.05   24736.97  1240.44   409.612 11.312  428.745 10.802  -19.13336      15.64056 
1 1 1 -8  0   16 o 253.512 4.9456  8648.41   334.766   7872.87   474.033   9420.03   472.830   242.118 7.3096  264.905 6.6639  -22.78661      9.891252 
1 1 1 -8  0   17 o 176.914 3.5407  4199.32   167.759   4165.00   238.537   4232.90   235.977   176.195 5.0544  177.632 4.9598  -1.436279      7.081409 
1 1 1 -8  0   18 o 217.275 4.1964  6342.65   244.095   6610.86   346.917   6079.67   343.512   221.835 5.8386  212.714 6.0291  9.120544       8.392826 
1 1 1 -8  0   19 o 168.967 3.4254  3836.04   154.932   3719.56   220.539   3949.55   217.702   166.423 4.9475  171.511 4.7389  -5.087662      6.850898 
1 1 1 -8  0   20 o 117.596 2.6424  1857.29   83.146    1800.96   119.103   1910.84   116.125   115.849 3.8383  119.343 3.6328  -3.494118      5.284889 
1 1 1 -8  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  0   22 o 77.150  2.1193  798.660   43.726    792.268   63.513    804.419   60.289    76.853  3.0854  77.447  2.9063  -0.5940094     4.238685 
1 1 1 -8  0   23 o 59.416  1.9446  470.800   30.762    536.011   45.477    415.794   41.767    63.223  2.6855  55.609  2.8133  7.613846       3.889253 
1 1 1 -8  0   24 o 122.380 2.8597  2027.71   92.925    1753.91   133.172   2287.54   129.727   114.235 4.3524  130.525 3.7107  -16.28930      5.719432 
1 1 1 -8  0   25 f 53.869  2.0256  386.984   28.993    431.120   43.470    351.617   38.913    56.619  2.8759  51.119  2.8534  5.499439       4.051210 
1 1 1 -8  0   26 o 227.946 4.4488  7016.45   271.582   7185.43   387.044   6852.56   381.172   230.657 6.2648  225.235 6.3182  5.422150       8.897616 
1 1 1 -8  0   27 o 133.934 2.8955  2407.96   103.703   2611.93   149.924   2220.85   143.597   139.373 4.0161  128.495 4.1722  10.87737       5.791084 
1 1 1 -8  0   28 o 39.575  2.0534  211.499   21.417    210.784   32.502    212.048   28.472    39.494  3.0974  39.656  2.6966  -0.1619034     4.106735 
1 1 1 -8  0   29 o 65.821  2.1426  583.692   37.565    568.174   55.732    596.612   50.853    65.004  3.2009  66.639  2.8491  -1.634583      4.285206 
1 1 1 -8  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  0   31 o 91.325  2.3966  1122.23   58.481    1166.27   86.356    1084.91   79.482    92.960  3.4682  89.690  3.3085  3.270050       4.793204 
1 1 1 -8  0   32 o 34.771  2.4231  177.579   20.379    114.964   31.201    224.165   26.912    28.808  4.1645  40.734  2.4784  -11.92652      4.846162 
1 1 1 -8  0   33 o 53.727  2.1001  390.238   29.823    399.074   45.592    383.630   39.429    54.218  3.1531  53.237  2.7747  0.9810791      4.200161 
1 1 1 -8  0   34 o 52.728  2.1648  380.196   29.977    364.086   46.007    392.081   39.517    51.673  3.3420  53.782  2.7524  -2.108925      4.329537 
1 1 1 -8  0   35 f 18.552  2.9320  50.155    13.855    43.620    22.787    53.988    17.451    17.470  4.7463  19.635  3.4438  -2.164881      5.864023 
1 1 1 -8  0   36 o 47.861  2.2642  316.968   28.167    295.415   43.991    331.944   36.669    46.336  3.5720  49.385  2.7835  -3.048573      4.528479 
1 1 1 -8  0   37 f 46.656  2.2918  300.629   27.683    291.968   44.189    306.225   35.517    45.953  3.6194  47.360  2.8125  -1.406284      4.583672 
1 1 1 -8  0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  0   39 o 24.253  2.9650  87.689    17.537    75.306    29.239    94.646    21.917    22.502  4.9827  26.004  3.2151  -3.501762      5.929961 
1 1 1 -8  0   40 o 10.258  2.9268  2.2025    11.924    21.037    21.854    -5.7810   14.228    12.995  4.7787  7.5212  3.3807  5.474190       5.853630 
1 1 1 -8  0   41 o 19.089  3.3643  55.084    16.163    55.951    29.540    54.714    19.309    18.893  5.5025  19.285  3.8727  -0.3917923     6.728673 
1 1 1 -8  0   42 o 24.088  3.1527  83.222    18.627    102.501   32.924    74.146    22.590    25.772  4.9496  22.404  3.9064  3.367613       6.305429 
1 1 1 -8  0   43 o 21.237  3.5780  67.716    18.778    82.545    34.471    61.459    22.391    22.396  5.7246  20.077  4.2938  2.319309       7.155983 
1 1 1 -8  0   44 o 26.592  3.2560  104.726   21.029    122.745   37.620    96.537    25.361    27.691  5.2646  25.493  3.8328  2.197554       6.512029 
1 1 1 -8  0   45 o 12.704  3.5633  20.099    16.939    17.533    32.255    21.077    19.905    13.092  5.4809  12.316  4.5550  0.7759008      7.126575 
1 1 1 -8  0   46 o 15.720  3.3405  45.188    18.673    -4.1076   35.264    64.396    22.013    11.321  5.1799  20.120  4.2194  -8.799537      6.680923 
1 1 1 -8  1   1  o 344.100 7.6547  15742.59  668.813   16469.37  1157.57   15378.40  819.427   349.794 12.355  338.406 9.0403  11.38797       15.30931 
1 1 1 -8  1   2  o 304.267 5.7080  12469.83  462.166   14175.33  656.071   10789.77  651.159   325.035 7.5358  283.498 8.5753  41.53714       11.41596 
1 1 1 -8  1   3  o 54.821  1.7330  405.186   25.229    354.399   35.882    454.841   35.480    51.369  2.6165  58.272  2.2732  -6.903088      3.466054 
1 1 1 -8  1   4  o 181.749 3.5763  4428.97   173.971   4636.00   246.600   4223.83   245.468   185.982 4.9503  177.516 5.1626  8.466141       7.152509 
1 1 1 -8  1   5  o 430.930 7.9610  24973.24  918.733   24449.89  1299.38   25496.43  1299.19   426.397 11.377  435.464 11.139  -9.067169      15.92194 
1 1 1 -8  1   6  o 318.413 5.9239  13615.29  504.746   14330.06  714.894   12904.80  712.747   326.768 8.1680  310.059 8.5823  16.70923       11.84783 
1 1 1 -8  1   7  f 109.764 2.4822  1619.86   72.642    1447.67   103.086   1789.70   102.379   103.948 3.7025  115.581 3.3070  -11.63384      4.964357 
1 1 1 -8  1   8  f 249.712 4.7872  8366.73   319.968   8014.91   452.877   8717.38   452.130   244.460 6.9165  254.963 6.6206  -10.50334      9.574429 
1 1 1 -8  1   9  o 301.157 5.6349  12172.01  454.310   12646.70  643.629   11700.67  641.359   307.020 7.8267  295.294 8.1088  11.72595       11.26987 
1 1 1 -8  1   10 o 646.601 11.840  56455.36  2049.93   58058.51  2901.16   54856.88  2896.93   655.840 16.515  637.362 16.969  18.47845       23.67927 
1 1 1 -8  1   11 o 418.478 11.019  23624.26  1234.83   23040.77  1748.33   24205.08  1744.31   413.281 15.794  423.676 15.371  -10.39426      22.03886 
1 1 1 -8  1   12 o 99.132  2.3252  1315.94   61.694    1388.57   88.220    1246.41   86.310    101.809 3.2351  96.456  3.3407  5.353249       4.650434 
1 1 1 -8  1   13 o 280.733 5.3186  10576.02  399.851   10360.15  566.389   10790.49  564.564   277.870 7.6100  283.595 7.4323  -5.724731      10.63727 
1 1 1 -8  1   14 f 469.877 8.6940  29734.48  1094.18   29699.96  1548.65   29768.90  1546.17   469.601 12.312  470.153 12.278  -0.5520020     17.38793 
1 1 1 -8  1   15 o 473.506 10.506  29861.36  1263.68   31781.68  2192.67   28906.33  1546.31   484.041 16.912  462.970 12.470  21.07101       21.01227 
1 1 1 -8  1   16 o 102.651 2.3271  1412.18   63.980    1425.86   90.288    1398.38   90.676    103.151 3.2679  102.151 3.3141  0.9999619      4.654253 
1 1 1 -8  1   17 o 141.495 2.9860  2686.28   113.090   2798.22   159.822   2574.02   160.044   144.453 4.1307  138.537 4.3131  5.916031       5.972021 
1 1 1 -8  1   18 o 358.180 6.7276  17340.75  645.198   17877.55  912.661   16804.45  912.235   363.772 9.3668  352.588 9.6594  11.18384       13.45516 
1 1 1 -8  1   19 o 186.038 3.7102  4651.85   184.809   4798.31   261.338   4505.34   261.380   188.977 5.1630  183.098 5.3297  5.879425       7.420394 
1 1 1 -8  1   20 o 187.958 4.6423  4772.89   219.349   4723.56   382.055   4797.15   267.902   187.031 7.6265  188.885 5.2953  -1.853683      9.284573 
1 1 1 -8  1   21 o 112.739 3.5829  1707.86   108.122   1741.88   156.308   1676.66   149.719   113.809 5.1276  111.669 5.0056  2.140144       7.165769 
1 1 1 -8  1   22 o 19.899  2.1926  53.526    10.970    75.937    16.657    36.357    14.579    23.647  2.6770  16.151  3.4732  7.495398       4.385134 
1 1 1 -8  1   23 o 159.296 3.2809  3409.85   139.937   3536.79   200.376   3288.99   195.514   162.193 4.6124  156.400 4.6672  5.792358       6.561738 
1 1 1 -8  1   24 o 230.114 4.4848  7144.84   276.398   7275.69   393.698   7017.66   388.132   232.195 6.3303  228.034 6.3547  4.161194       8.969603 
1 1 1 -8  1   25 o 183.465 3.6330  4532.93   177.837   5072.82   254.943   4021.25   248.191   194.152 4.9025  172.779 5.3630  21.37308       7.266068 
1 1 1 -8  1   26 o 67.471  2.1113  611.442   38.004    604.587   56.134    617.243   51.639    67.115  3.1226  67.827  2.8424  -0.7117310     4.222557 
1 1 1 -8  1   27 o 61.501  2.1087  512.139   34.353    474.677   50.919    543.437   46.541    59.366  3.2142  63.637  2.7305  -4.271267      4.217405 
1 1 1 -8  1   28 o 79.938  2.2602  860.358   48.171    841.094   71.183    876.634   65.429    79.097  3.3599  80.780  3.0240  -1.683296      4.520348 
1 1 1 -8  1   29 o 39.956  2.1860  217.917   22.758    205.012   35.201    227.185   29.832    38.880  3.4148  41.031  2.7300  -2.150814      4.371909 
1 1 1 -8  1   30 o 103.837 3.0747  1480.25   82.405    1545.41   104.858   1375.03   133.259   107.026 3.6578  100.648 4.9431  6.377541       6.149314 
1 1 1 -8  1   31 o 57.373  2.0486  435.994   31.071    535.907   47.440    360.944   41.116    63.080  2.8078  51.666  2.9838  11.41452       4.097191 
1 1 1 -8  1   32 o 14.245  2.7999  27.393    10.970    34.683    17.307    22.496    14.183    15.685  4.0807  12.805  3.8347  2.879757       5.599717 
1 1 1 -8  1   33 o 31.090  2.2228  131.048   17.874    137.750   28.593    126.749   22.899    31.684  3.4237  30.497  2.8358  1.186750       4.445599 
1 1 1 -8  1   34 o 30.665  2.3784  132.759   18.450    113.886   28.949    145.669   23.943    28.630  3.8747  32.700  2.7594  -4.070572      4.756848 
1 1 1 -8  1   35 o 33.731  2.2281  149.084   19.434    196.303   31.599    120.356   24.647    37.872  3.1434  29.590  3.1585  8.282040       4.456163 
1 1 1 -8  1   36 o 39.144  2.3212  213.734   23.290    197.118   37.173    224.471   29.881    37.721  3.7281  40.568  2.7665  -2.847446      4.642391 
1 1 1 -8  1   37 o 26.705  2.6586  92.087    17.619    144.064   29.830    64.240    21.834    32.189  3.5170  21.220  3.9879  10.96934       5.317206 
1 1 1 -8  1   38 f 64.178  2.4674  583.448   40.972    504.725   63.464    639.706   53.650    60.023  3.9699  68.333  2.9312  -8.309193      4.934800 
1 1 1 -8  1   39 o 29.291  2.6707  111.336   19.471    172.139   33.500    80.318    23.927    34.944  3.6322  23.638  3.9162  11.30605       5.341357 
1 1 1 -8  1   40 o 15.347  3.3509  28.603    14.889    55.249    26.636    16.493    17.957    19.001  5.1187  11.692  4.3260  7.309130       6.701890 
1 1 1 -8  1   41 o 26.193  3.2164  109.939   20.001    81.665    33.796    125.180   24.813    22.659  5.6005  29.728  3.1648  -7.069027      6.432831 
1 1 1 -8  1   42 o 20.469  3.3246  59.646    16.873    82.075    30.504    49.758    20.254    22.846  5.1127  18.093  4.2513  4.752302       6.649284 
1 1 1 -8  1   43 o 23.159  3.4035  79.656    19.100    95.316    34.919    72.971    22.815    24.250  5.5022  22.067  4.0076  2.183189       6.806955 
1 1 1 -8  1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  1   45 o 16.192  3.5073  46.294    17.413    23.169    33.402    54.924    20.405    13.663  5.6364  18.720  4.1757  -5.056374      7.014667 
1 1 1 -8  2   1  o 449.421 11.680  27173.03  1405.99   0.0000    0.0000    27173.03  1405.99   ?       ?       449.421 11.680  ?              ?        
1 1 1 -8  2   2  o 240.841 4.5833  7779.32   295.635   7901.71   418.353   7657.23   417.829   242.735 6.4346  238.946 6.5285  3.789429       9.166501 
1 1 1 -8  2   3  o 277.429 5.2315  10326.36  388.749   10307.67  550.094   10345.01  549.455   277.178 7.4095  277.681 7.3875  -0.5030212     10.46306 
1 1 1 -8  2   4  o 410.393 9.3657  22743.53  968.819   22506.54  1678.72   22861.88  1186.32   408.389 15.347  412.398 10.740  -4.008850      18.73137 
1 1 1 -8  2   5  o 668.009 12.211  60330.28  2184.87   60112.04  3089.27   60548.69  3090.46   666.790 17.297  669.228 17.241  -2.437988      24.42225 
1 1 1 -8  2   6  o 190.620 3.7069  4870.58   189.241   4775.81   267.125   4966.06   268.131   188.758 5.2835  192.483 5.2007  -3.725662      7.413705 
1 1 1 -8  2   7  o 269.765 5.1212  9761.70   370.039   9727.58   522.852   9795.94   523.776   269.293 7.2488  270.238 7.2362  -0.9452515     10.24244 
1 1 1 -8  2   8  o 337.309 6.2159  15273.43  561.542   15024.21  793.511   15523.44  794.773   334.547 8.8554  340.072 8.7254  -5.524384      12.43179 
1 1 1 -8  2   9  o 93.994  2.1792  1183.78   54.853    1202.87   77.258    1164.36   77.894    94.759  3.0439  93.229  3.1193  1.529953       4.358395 
1 1 1 -8  2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  2   11 o 311.396 5.9208  13013.24  493.834   12945.56  697.921   13081.11  698.855   310.584 8.3895  312.208 8.3571  -1.624359      11.84167 
1 1 1 -8  2   12 o 140.691 2.9092  2652.22   109.628   2623.68   154.624   2681.07   155.454   139.930 4.1255  141.452 4.1030  -1.522552      5.818466 
1 1 1 -8  2   13 o 256.182 4.8191  8803.58   330.662   8692.01   467.107   8915.65   468.149   254.553 6.8509  257.811 6.7794  -3.258224      9.638271 
1 1 1 -8  2   14 o 446.650 8.2355  26863.99  985.250   26910.00  1392.97   26817.93  1393.74   447.036 11.634  446.265 11.660  0.7709351      16.47103 
1 1 1 -8  2   15 o 411.868 7.5856  22861.03  836.234   21841.64  1181.42   23884.55  1183.81   402.612 10.955  421.125 10.495  -18.51343      15.17122 
1 1 1 -8  2   16 f 91.029  2.1771  1110.47   53.080    1113.47   74.755    1107.42   75.381    91.153  3.0618  90.905  3.0959  0.2485886      4.354238 
1 1 1 -8  2   17 o 314.629 5.9086  13340.72  497.825   13658.08  703.932   13023.18  704.130   318.396 8.2542  310.861 8.4566  7.534485       11.81719 
1 1 1 -8  2   18 f 184.187 3.6197  4556.69   178.559   4477.16   252.092   4636.75   252.950   182.571 5.1551  185.804 5.0827  -3.233032      7.239382 
1 1 1 -8  2   19 o 140.451 2.9068  2648.45   109.276   2527.42   154.092   2770.90   154.993   137.216 4.1926  143.686 4.0273  -6.470169      5.813511 
1 1 1 -8  2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  2   21 o 80.059  2.0497  859.660   43.949    868.627   61.947    850.573   62.362    80.481  2.8737  79.638  2.9236  0.8426590      4.099424 
1 1 1 -8  2   22 o 58.917  1.8836  465.536   29.720    473.091   41.907    457.891   42.155    59.398  2.6340  58.435  2.6933  0.9635849      3.767219 
1 1 1 -8  2   23 o 136.419 3.0122  2501.67   110.014   2585.18   155.400   2417.77   155.768   138.710 4.1827  134.127 4.3358  4.582687       6.024471 
1 1 1 -8  2   24 o 184.886 3.6824  4602.06   182.356   4605.94   257.647   4598.18   258.134   184.965 5.2005  184.807 5.2148  0.1584473      7.364768 
1 1 1 -8  2   25 o 131.316 2.8144  2317.11   98.990    2306.91   139.740   2327.40   140.246   131.026 3.9818  131.607 3.9785  -0.5810242     5.628792 
1 1 1 -8  2   26 o 32.236  1.9353  140.616   16.526    146.965   23.168    134.038   23.581    32.993  2.6439  31.479  2.8268  1.513590       3.870529 
1 1 1 -8  2   27 o 71.252  2.0494  681.570   39.111    675.608   55.021    687.660   55.607    70.937  2.8958  71.566  2.9009  -0.6295853     4.098878 
1 1 1 -8  2   28 o 84.234  2.2121  953.733   49.908    940.372   70.280    967.326   70.885    83.638  3.1371  84.830  3.1197  -1.191940      4.424276 
1 1 1 -8  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  2   30 o 54.491  2.1046  401.316   30.325    394.892   46.086    406.222   40.271    54.036  3.1984  54.946  2.7363  -0.9104881     4.209160 
1 1 1 -8  2   31 o 38.520  2.0578  195.562   20.770    242.596   32.678    163.685   26.903    42.320  2.9004  34.721  2.9199  7.599480       4.115606 
1 1 1 -8  2   32 o 51.588  2.0767  354.741   28.309    405.577   43.855    318.429   37.065    54.700  3.0048  48.476  2.8673  6.223515       4.153359 
1 1 1 -8  2   33 o 69.776  2.2014  652.640   40.869    722.547   62.352    599.983   54.115    72.996  3.1891  66.556  3.0356  6.439781       4.402808 
1 1 1 -8  2   34 o 64.647  2.2188  565.635   37.992    587.292   58.255    549.607   50.116    65.625  3.3250  63.670  2.9387  1.954842       4.437544 
1 1 1 -8  2   35 o 34.062  2.4644  165.576   21.069    137.743   33.430    183.917   27.137    31.402  4.0703  36.722  2.7796  -5.320032      4.928810 
1 1 1 -8  2   36 o 82.561  2.4118  925.595   52.947    1000.44   80.923    869.574   70.012    85.382  3.5385  79.739  3.2780  5.643623       4.823514 
1 1 1 -8  2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  2   38 o 14.057  3.1571  22.906    13.579    44.886    22.948    11.064    16.844    17.440  4.7734  10.673  4.1333  6.767697       6.314244 
1 1 1 -8  2   39 o 48.974  2.4057  332.724   30.516    349.465   49.610    322.535   38.705    49.731  3.7520  48.217  3.0120  1.513664       4.811433 
1 1 1 -8  2   40 o 48.059  2.4427  324.227   30.310    337.076   49.456    316.497   38.359    48.523  3.8365  47.595  3.0247  0.9286385      4.885422 
1 1 1 -8  2   41 o 10.559  3.0168  9.8208    12.968    -1.9677   24.063    14.646    15.394    10.230  4.5087  10.888  4.0096  -0.6577806     6.033661 
1 1 1 -8  2   42 o 12.591  3.3398  15.612    14.571    35.134    26.336    7.0000    17.491    15.254  5.2849  9.9273  4.0851  5.326788       6.679652 
1 1 1 -8  2   43 o 14.050  3.5399  29.505    16.673    15.560    31.859    34.765    19.566    13.090  5.4608  15.011  4.5059  -1.920606      7.079817 
1 1 1 -8  2   44 o 39.246  2.7888  216.125   27.579    281.007   48.714    185.521   33.457    42.965  4.2904  35.528  3.5638  7.436287       5.577510 
1 1 1 -8  2   45 o 7.9630  2.6528  -13.1242  13.694    -36.5234  27.594    -5.4791   15.773    8.1783  3.9753  7.7477  3.5137  0.4305644      5.305551 
1 1 1 -8  3   1  o 432.752 9.7302  25080.59  1066.49   25727.99  1846.52   24756.52  1306.42   436.483 15.794  429.020 11.369  7.463043       19.46037 
1 1 1 -8  3   2  f 512.907 9.4433  35441.00  1297.30   35729.36  1834.67   35152.64  1834.65   515.006 13.300  510.808 13.409  4.197968       18.88656 
1 1 1 -8  3   3  o 549.535 10.101  40714.11  1486.79   40335.57  2102.06   41093.08  2103.23   546.963 14.348  552.107 14.222  -5.144409      20.20268 
1 1 1 -8  3   4  o 189.663 3.6875  4821.81   187.318   4754.34   264.605   4889.60   265.209   188.331 5.2455  190.994 5.1842  -2.662079      7.375031 
1 1 1 -8  3   5  o 521.019 9.5799  36566.71  1336.89   36360.28  1890.20   36773.34  1891.11   519.540 13.583  522.498 13.513  -2.958374      19.15973 
1 1 1 -8  3   6  o 616.764 11.290  51347.12  1865.02   51168.19  2637.06   51526.17  2638.00   615.681 15.991  617.846 15.941  -2.165222      22.57912 
1 1 1 -8  3   7  o 93.000  2.1940  1158.61   54.651    1145.78   77.063    1171.59   77.516    92.482  3.1110  93.518  3.0946  -1.036018      4.388042 
1 1 1 -8  3   8  o 191.763 3.7638  4929.04   193.318   4960.44   273.175   4897.55   273.611   192.376 5.3015  191.151 5.3440  1.224731       7.527607 
1 1 1 -8  3   9  o 824.655 15.227  92305.21  3363.47   92237.82  4756.33   92372.62  4756.99   824.351 21.541  824.960 21.528  -0.6087646     30.45479 
1 1 1 -8  3   10 o 60.118  2.6562  487.865   41.511    632.485   60.358    358.069   57.181    68.711  3.2796  51.525  4.1793  17.18623       5.312450 
1 1 1 -8  3   11 o 344.301 6.4207  15916.02  592.106   15802.59  836.984   16029.66  837.746   343.070 9.1085  345.531 9.0518  -2.461548      12.84132 
1 1 1 -8  3   12 o 437.452 8.1108  25745.65  950.022   24941.87  1342.61   26551.65  1344.46   430.584 11.641  444.320 11.297  -13.73618      16.22169 
1 1 1 -8  3   13 o 240.168 4.5629  7737.26   293.514   7806.04   414.891   7668.34   415.293   241.238 6.4209  239.098 6.4847  2.140808       9.125779 
1 1 1 -8  3   14 o 268.021 5.0289  9643.11   361.006   9719.41   510.342   9566.68   510.737   269.085 7.0808  266.957 7.1428  2.127930       10.05770 
1 1 1 -8  3   15 o 149.705 3.0644  3004.83   122.877   3002.05   173.527   3007.63   174.022   149.636 4.3296  149.774 4.3379  -0.1386871     6.128814 
1 1 1 -8  3   16 o 456.880 8.5411  28277.90  1045.15   28611.13  1478.03   27944.64  1478.10   459.603 12.006  454.157 12.151  5.446564       17.08213 
1 1 1 -8  3   17 o 233.212 4.5122  7315.88   281.750   7543.70   398.366   7087.87   398.544   236.861 6.2791  229.563 6.4817  7.297699       9.024384 
1 1 1 -8  3   18 f 166.820 3.3470  3737.25   149.551   3734.06   211.198   3740.47   211.796   166.749 4.7287  166.891 4.7380  -0.1422272     6.693970 
1 1 1 -8  3   19 o 265.332 5.0700  9498.07   360.297   9373.72   509.105   9622.85   509.970   263.581 7.2111  267.083 7.1287  -3.502197      10.13995 
1 1 1 -8  3   20 o 106.028 2.9850  1541.76   79.580    1608.55   98.223    1414.14   135.765   109.497 3.3491  102.560 4.9422  6.937187       5.970070 
1 1 1 -8  3   21 o 72.120  2.0350  697.629   39.307    703.503   55.358    691.656   55.823    72.427  2.8536  71.813  2.9022  0.6141663      4.070096 
1 1 1 -8  3   22 o 63.576  1.9382  541.873   32.992    521.054   46.241    563.459   47.085    62.332  2.7697  64.820  2.7120  -2.488689      3.876334 
1 1 1 -8  3   23 o 37.602  1.9715  190.579   19.706    182.962   27.557    198.550   28.192    36.827  2.8150  38.377  2.7610  -1.550564      3.943052 
1 1 1 -8  3   24 o 85.477  2.1562  980.237   49.362    963.117   69.462    997.704   70.161    84.723  3.0610  86.232  3.0377  -1.509079      4.312409 
1 1 1 -8  3   25 o 77.580  2.1642  808.563   44.921    848.130   63.277    768.364   63.781    79.500  2.9716  75.660  3.1473  3.839973       4.328481 
1 1 1 -8  3   26 o 120.947 2.7647  1967.37   89.552    1994.26   126.366   1940.23   126.928   121.782 3.8740  120.112 3.9453  1.670097       5.529323 
1 1 1 -8  3   27 o 67.064  2.0213  604.166   36.300    616.294   51.169    591.877   51.506    67.745  2.8200  66.384  2.8967  1.360474       4.042654 
1 1 1 -8  3   28 o 97.995  2.4337  1292.86   63.870    1313.04   90.080    1272.46   90.574    98.770  3.4050  97.221  3.4782  1.548836       4.867416 
1 1 1 -8  3   29 o 70.333  2.5134  668.485   45.046    669.142   55.930    667.271   75.999    70.514  2.9613  70.152  4.0620  0.3619232      5.026807 
1 1 1 -8  3   30 o 19.984  2.2887  55.158    11.823    53.196    16.365    57.301    17.102    19.605  3.2288  20.362  3.2445  -0.7567348     4.577342 
1 1 1 -8  3   31 o 30.708  1.9266  128.090   15.676    126.948   21.848    129.303   22.506    30.570  2.6958  30.846  2.7530  -0.2752552     3.853101 
1 1 1 -8  3   32 o 108.255 2.5919  1594.02   75.094    1665.87   106.201   1522.18   106.197   110.732 3.5807  105.777 3.7483  4.955460       5.183724 
1 1 1 -8  3   33 o 48.499  1.9512  319.677   25.177    345.457   35.628    293.961   35.583    50.487  2.6438  46.511  2.8703  3.976627       3.902378 
1 1 1 -8  3   34 o 36.975  1.9983  186.421   19.597    201.904   27.953    171.458   27.480    38.516  2.7273  35.434  2.9214  3.081539       3.996575 
1 1 1 -8  3   35 o 118.701 2.8742  1938.55   91.097    1998.88   135.040   1888.16   123.407   120.283 4.1915  117.118 3.9339  3.164742       5.748417 
1 1 1 -8  3   36 o 25.552  2.7935  93.099    17.483    89.316    29.663    95.113    21.641    24.908  4.6161  26.195  3.1474  -1.286716      5.586963 
1 1 1 -8  3   37 o 19.875  3.1600  58.269    15.782    54.606    27.007    60.169    19.449    19.193  5.1475  20.557  3.6667  -1.364147      6.319968 
1 1 1 -8  3   38 o 59.360  2.3860  484.946   36.927    517.039   59.528    464.873   47.080    60.732  3.6768  57.988  3.0418  2.744007       4.771933 
1 1 1 -8  3   39 o 21.503  3.2863  79.799    18.099    37.807    31.478    100.538   22.122    16.283  5.7678  26.722  3.1514  -10.43876      6.572556 
1 1 1 -8  3   40 o 15.505  3.3528  28.706    15.017    59.917    27.335    15.216    17.971    19.612  5.1411  11.399  4.3053  8.212749       6.705673 
1 1 1 -8  3   41 o 9.9485  2.9908  1.5752    12.487    13.400    24.200    -2.7149   14.577    11.974  4.8511  7.9227  3.4996  4.051479       5.981678 
1 1 1 -8  3   42 o 22.249  3.4869  73.926    19.063    89.298    34.389    67.108    22.904    23.446  5.5602  21.052  4.2091  2.394680       6.973719 
1 1 1 -8  3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  3   44 o 20.493  3.8024  65.730    19.468    86.380    37.106    57.887    22.869    21.974  6.0923  19.011  4.5514  2.962772       7.604721 
1 1 1 -8  4   1  o 445.442 8.1938  26693.36  977.501   26224.83  1382.22   27162.13  1382.57   441.514 11.688  449.369 11.487  -7.855408      16.38766 
1 1 1 -8  4   2  o 435.720 8.0638  25534.24  941.095   25619.79  1331.12   25448.75  1330.70   436.452 11.387  434.987 11.421  1.464996       16.12756 
1 1 1 -8  4   3  o 446.559 8.2463  26824.41  986.328   26636.43  1394.71   27012.49  1395.05   444.987 11.702  448.131 11.622  -3.143585      16.49267 
1 1 1 -8  4   4  o 166.021 3.3180  3693.97   147.544   3711.58   208.613   3676.35   208.705   166.417 4.6801  165.625 4.7046  0.7924805      6.635968 
1 1 1 -8  4   5  o 538.929 9.8917  39135.21  1427.87   39000.26  2019.06   39270.23  2019.57   537.994 14.011  539.863 13.966  -1.869385      19.78338 
1 1 1 -8  4   6  o 629.874 11.557  53567.52  1949.75   52988.47  2756.80   54147.04  2757.93   626.441 16.430  633.307 16.258  -6.865112      23.11454 
1 1 1 -8  4   7  o 320.122 5.9797  13754.17  512.694   13923.91  725.060   13584.43  725.059   322.102 8.4041  318.143 8.5087  3.959229       11.95938 
1 1 1 -8  4   8  o 438.698 8.0905  25876.19  950.509   26437.42  1344.49   25315.42  1343.95   443.472 11.319  433.924 11.563  9.547882       16.18104 
1 1 1 -8  4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  4   10 o 511.423 9.4986  35220.71  1301.14   35050.13  1839.70   35391.44  1840.47   510.177 13.463  512.668 13.403  -2.490417      18.99713 
1 1 1 -8  4   11 o 645.179 11.938  56266.95  2062.82   56977.07  2917.53   55557.10  2917.00   649.287 16.776  641.071 16.988  8.215820       23.87526 
1 1 1 -8  4   12 o 346.064 6.4382  16088.03  596.746   16276.25  843.781   15899.68  844.071   348.096 9.0499  344.033 9.1599  4.062927       12.87648 
1 1 1 -8  4   13 o 86.787  2.1670  1009.10   50.367    986.237   70.972    1032.29   71.491    85.797  3.0883  87.778  3.0407  -1.980919      4.334033 
1 1 1 -8  4   14 f 264.186 5.0136  9373.55   354.744   9230.95   501.288   9516.61   502.082   262.168 7.1387  266.204 7.0416  -4.035675      10.02722 
1 1 1 -8  4   15 o 311.892 5.8493  13093.62  488.592   13330.07  690.905   12857.07  691.043   314.724 8.1960  309.061 8.3478  5.662323       11.69869 
1 1 1 -8  4   16 o 278.815 5.3216  10466.73  397.413   10532.01  561.785   10401.34  562.269   279.690 7.4990  277.939 7.5528  1.751038       10.64328 
1 1 1 -8  4   17 o 332.625 6.2279  14951.13  554.853   15032.00  784.454   14870.17  784.908   333.534 8.7809  331.716 8.8341  1.818176       12.45576 
1 1 1 -8  4   18 f 162.212 3.2966  3534.68   143.220   3580.87   202.322   3488.29   202.767   163.278 4.6262  161.146 4.6977  2.131912       6.593218 
1 1 1 -8  4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  4   20 o 49.747  1.7954  332.648   23.843    327.370   33.628    337.983   33.810    49.348  2.5528  50.146  2.5253  -0.7976913     3.590850 
1 1 1 -8  4   21 o 182.686 3.7535  4493.23   183.603   4623.61   259.501   4362.54   259.808   185.354 5.2269  180.018 5.3882  5.336380       7.506936 
1 1 1 -8  4   22 o 88.772  2.2525  1057.27   53.556    1040.83   75.296    1074.10   76.192    88.074  3.1918  89.471  3.1794  -1.397003      4.505093 
1 1 1 -8  4   23 o 198.631 3.9055  5315.38   207.782   5270.38   293.505   5360.58   294.192   197.785 5.5403  199.477 5.5062  -1.692490      7.811075 
1 1 1 -8  4   24 o 103.456 2.4067  1437.05   66.687    1446.15   94.010    1427.83   94.611    103.787 3.3818  103.124 3.4252  0.6627960      4.813378 
1 1 1 -8  4   25 o 37.367  1.8833  188.160   18.709    177.650   26.134    199.206   26.794    36.287  2.7084  38.446  2.6175  -2.158489      3.766533 
1 1 1 -8  4   26 o 115.678 2.5770  1799.60   79.840    1820.09   112.664   1778.92   113.160   116.343 3.6154  115.012 3.6733  1.331100       5.154064 
1 1 1 -8  4   27 o 38.184  1.9817  197.115   20.043    175.845   28.092    219.171   28.606    36.057  2.9342  40.311  2.6644  -4.253979      3.963403 
1 1 1 -8  4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  4   29 o 50.961  1.9343  350.299   26.286    332.587   36.774    368.805   37.588    49.635  2.7772  52.287  2.6931  -2.652489      3.868529 
1 1 1 -8  4   30 o 48.488  1.9689  317.841   25.460    312.950   35.683    322.914   36.338    48.108  2.7810  48.869  2.7877  -0.7612000     3.937705 
1 1 1 -8  4   31 o 49.706  1.9574  334.448   25.955    328.920   36.404    340.164   37.015    49.287  2.7687  50.126  2.7676  -0.8381500     3.914819 
1 1 1 -8  4   32 o 50.976  1.9668  352.325   26.750    349.991   37.513    354.740   38.157    50.807  2.7670  51.145  2.7959  -0.3381538     3.933659 
1 1 1 -8  4   33 o 57.479  1.9975  447.478   30.752    442.794   43.250    452.267   43.733    57.175  2.8242  57.783  2.8256  -0.6080132     3.994999 
1 1 1 -8  4   34 o 30.044  2.0662  123.809   16.389    131.420   23.189    116.214   23.165    30.998  2.8239  29.089  3.0169  1.908236       4.132384 
1 1 1 -8  4   35 o 40.736  2.0238  226.960   21.933    232.241   30.907    221.602   31.131    41.229  2.8156  40.243  2.9077  0.9862022      4.047500 
1 1 1 -8  4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  4   37 o 31.192  2.1532  134.950   17.724    124.824   24.793    145.536   25.349    29.952  3.1369  32.431  2.9504  -2.479105      4.306388 
1 1 1 -8  4   38 o 32.209  2.7124  148.178   21.781    146.656   36.638    149.009   27.087    31.763  4.4269  32.655  3.1353  -0.8925495     5.424715 
1 1 1 -8  4   39 o 20.959  3.3420  73.690    17.973    43.725    31.318    88.405    21.947    17.023  5.7672  24.895  3.3787  -7.871727      6.683988 
1 1 1 -8  4   40 o 29.690  2.8520  124.523   20.933    144.802   36.838    114.853   25.440    31.082  4.5604  28.298  3.4261  2.783991       5.704021 
1 1 1 -8  4   41 o 28.768  3.2613  129.417   21.999    114.549   39.054    136.327   26.625    26.667  5.6437  30.868  3.2701  -4.200418      6.522641 
1 1 1 -8  4   42 o 10.918  3.1803  -3.8269   13.987    32.403    28.274    -15.5671  16.095    14.847  5.4391  6.9899  3.2975  7.856815       6.360548 
1 1 1 -8  4   43 o 12.985  3.5280  22.910    16.710    11.563    32.470    26.999    19.489    12.590  5.3935  13.380  4.5494  -0.7906246     7.056002 
1 1 1 -8  4   44 o 8.6835  2.8583  -20.2295  12.973    12.420    27.668    -29.4303  14.688    11.831  5.0211  5.5356  2.7328  6.295838       5.716647 
1 1 1 -8  5   1  f 250.225 4.7123  8398.13   315.797   8265.36   446.618   8530.88   446.592   248.245 6.7169  252.206 6.6110  -3.961609      9.424514 
1 1 1 -8  5   2  o 561.631 10.325  42538.36  1553.13   41847.27  2196.15   43229.84  2196.77   557.037 14.719  566.226 14.485  -9.189514      20.65097 
1 1 1 -8  5   3  o 460.665 8.4734  28550.85  1045.50   28351.30  1478.49   28750.44  1478.62   459.047 12.025  462.282 11.942  -3.234680      16.94679 
1 1 1 -8  5   4  o 119.732 2.5920  1920.80   83.120    1946.53   117.571   1895.08   117.528   120.535 3.6417  118.930 3.6894  1.604477       5.183989 
1 1 1 -8  5   5  o 505.518 9.2870  34410.45  1257.15   33484.60  1777.16   35337.81  1778.60   498.676 13.305  512.360 12.960  -13.68448      18.57402 
1 1 1 -8  5   6  o 194.837 3.7907  5088.43   197.821   5121.28   279.737   5055.56   279.786   195.467 5.3430  194.208 5.3786  1.259247       7.581388 
1 1 1 -8  5   7  o 473.116 8.7396  30116.23  1107.28   30834.63  1566.36   29398.62  1565.50   478.781 12.214  467.451 12.503  11.33063       17.47921 
1 1 1 -8  5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  5   9  o 488.931 9.0883  32182.99  1189.79   33171.24  1683.30   31196.33  1681.94   496.470 12.658  481.392 13.044  15.07831       18.17664 
1 1 1 -8  5   10 o 231.138 4.4513  7164.06   275.582   7143.16   389.566   7184.99   389.897   230.800 6.3017  231.475 6.2886  -0.6752930     8.902697 
1 1 1 -8  5   11 f 300.228 5.6484  12099.56  454.210   12196.76  642.276   12002.31  642.423   301.438 7.9549  299.019 8.0211  2.418213       11.29682 
1 1 1 -8  5   12 o 300.986 5.6285  12164.98  453.758   12181.73  641.535   12148.22  641.887   301.194 7.9522  300.777 7.9675  0.4160461      11.25694 
1 1 1 -8  5   13 o 132.906 2.7962  2367.81   99.516    2304.43   140.501   2431.62   140.976   131.120 4.0006  134.692 3.9076  -3.572525      5.592319 
1 1 1 -8  5   14 o 136.668 2.8952  2504.33   105.981   2487.03   149.662   2521.73   150.099   136.194 4.1026  137.142 4.0862  -0.9473572     5.790388 
1 1 1 -8  5   15 o 215.383 4.1548  6231.94   239.689   6234.70   338.722   6229.16   339.220   215.431 5.8701  215.334 5.8814  0.9704590E-01  8.309553 
1 1 1 -8  5   16 o 259.599 4.9032  9074.61   340.879   8871.82   481.615   9278.18   482.537   256.679 7.0052  262.520 6.8625  -5.841370      9.806439 
1 1 1 -8  5   17 o 304.895 5.7136  12557.90  466.557   12347.04  659.343   12769.36  660.281   302.311 8.1427  307.479 8.0172  -5.167511      11.42714 
1 1 1 -8  5   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  5   19 o 107.192 2.4510  1541.82   70.372    1536.07   99.299    1547.63   99.744    106.992 3.4650  107.393 3.4675  -0.4015350     4.902049 
1 1 1 -8  5   20 o 178.917 3.5702  4307.19   171.042   4424.82   241.753   4189.29   242.026   181.374 4.9763  176.459 5.1207  4.915588       7.140389 
1 1 1 -8  5   21 o 36.642  1.8495  181.054   18.020    184.578   25.194    177.363   25.785    37.014  2.5569  36.270  2.6731  0.7446060      3.699020 
1 1 1 -8  5   22 o 272.189 5.2054  10025.39  379.485   10127.70  536.476   9922.92   536.868   273.595 7.3207  270.784 7.4021  2.810883       10.41078 
1 1 1 -8  5   23 o 75.850  2.1034  772.555   42.694    806.107   60.139    738.462   60.622    77.516  2.8965  74.185  3.0509  3.330711       4.206861 
1 1 1 -8  5   24 o 192.332 3.8162  4988.46   196.581   5056.97   277.838   4919.79   278.177   193.665 5.3561  191.000 5.4375  2.664368       7.632472 
1 1 1 -8  5   25 o 134.902 2.8926  2449.09   104.509   2482.11   147.580   2415.87   148.018   135.820 4.0567  133.985 4.1245  1.835205       5.785198 
1 1 1 -8  5   26 o 112.460 2.6098  1702.06   78.609    1681.20   110.877   1723.14   111.466   111.765 3.7038  113.154 3.6777  -1.389275      5.219554 
1 1 1 -8  5   27 o 98.486  5.0923  1317.74   133.873   0.0000    0.0000    1317.74   133.873   ?       ?       98.486  5.0923  ?              ?        
1 1 1 -8  5   28 o 88.506  2.2744  1055.50   53.912    1066.85   76.035    1044.02   76.454    88.989  3.1900  88.023  3.2428  0.9657516      4.548807 
1 1 1 -8  5   29 o 48.923  1.9073  323.122   24.880    307.422   34.828    339.486   35.556    47.700  2.7374  50.146  2.6567  -2.445946      3.814664 
1 1 1 -8  5   30 o 33.697  1.9193  154.096   17.173    150.294   24.169    157.972   24.405    33.271  2.7363  34.123  2.6920  -0.8519211     3.838521 
1 1 1 -8  5   31 o 19.533  2.2982  53.316    11.550    57.860    16.055    48.440    16.629    20.465  3.0197  18.601  3.4652  1.863977       4.596315 
1 1 1 -8  5   32 o 40.119  1.9449  218.991   20.746    228.761   29.137    208.945   29.547    41.049  2.6644  39.188  2.8341  1.861225       3.889863 
1 1 1 -8  5   33 o 92.732  2.3884  1172.68   59.277    1224.19   83.792    1121.07   83.868    94.808  3.2996  90.655  3.4540  4.152954       4.776762 
1 1 1 -8  5   34 o 33.046  2.0372  149.481   17.848    146.380   24.929    152.742   25.563    32.693  2.8761  33.398  2.8860  -0.7055168     4.074423 
1 1 1 -8  5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  5   36 o 35.317  2.0670  171.899   19.373    168.897   27.083    175.045   27.725    35.002  2.9152  35.632  2.9310  -0.6297607     4.133913 
1 1 1 -8  5   37 o 20.867  2.7250  63.425    14.572    75.688    20.499    50.899    20.719    23.118  3.4132  18.616  4.2488  4.501888       5.449970 
1 1 1 -8  5   38 o 27.824  2.2967  109.034   16.644    92.655    22.951    127.202   24.173    25.511  3.4472  30.137  3.0360  -4.625889      4.593496 
1 1 1 -8  5   39 o 27.974  2.3949  112.662   17.335    128.394   24.213    96.121    24.828    30.185  3.0360  25.763  3.7046  4.421932       4.789731 
1 1 1 -8  5   40 o 51.749  2.1851  378.275   30.084    403.120   42.414    353.121   42.677    53.567  2.9677  49.930  3.2081  3.637383       4.370234 
1 1 1 -8  5   41 o 13.112  3.2732  24.542    15.371    0.9955    28.340    34.355    18.296    11.217  4.9197  15.008  4.3187  -3.790771      6.546398 
1 1 1 -8  5   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  5   43 o 32.192  3.5339  177.013   25.612    138.014   45.897    194.649   30.864    27.776  6.3124  36.608  3.1792  -8.832396      7.067803 
1 1 1 -8  6   1  o 218.116 4.1771  6379.33   243.989   6235.41   345.020   6523.31   345.085   215.652 5.9731  220.580 5.8408  -4.927948      8.354238 
1 1 1 -8  6   2  o 326.376 6.1079  14299.93  533.929   14153.79  755.126   14446.05  755.055   324.704 8.6825  328.047 8.5932  -3.343262      12.21586 
1 1 1 -8  6   3  o 329.858 6.1398  14608.42  542.315   15020.24  767.469   14197.71  766.429   334.513 8.5656  325.204 8.7989  9.308655       12.27966 
1 1 1 -8  6   4  o 297.488 5.5820  11874.88  444.782   11901.61  629.130   11848.17  628.904   297.824 7.8866  297.153 7.9016  0.6705017      11.16398 
1 1 1 -8  6   5  o 258.151 4.8862  8937.77   337.855   8925.86   477.779   8949.68   477.820   257.979 6.9144  258.323 6.9058  -0.3444214     9.772334 
1 1 1 -8  6   6  o 396.744 7.3603  21148.23  782.154   21106.89  1106.09   21189.58  1106.17   396.355 10.419  397.133 10.399  -0.7779846     14.72053 
1 1 1 -8  6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  6   8  o 368.852 6.8907  18274.37  680.761   18430.73  962.799   18118.05  962.683   370.435 9.7036  367.270 9.7861  3.164856       13.78145 
1 1 1 -8  6   9  o 228.642 4.3892  7010.96   268.735   6829.12   379.781   7193.31   380.316   225.669 6.2831  231.615 6.1304  -5.946426      8.778323 
1 1 1 -8  6   10 o 19.276  1.8559  50.693    9.3318    50.574    13.289    50.809    13.107    19.250  2.6475  19.301  2.6015  -0.5124092E-01 3.711772 
1 1 1 -8  6   11 o 263.518 5.0209  9320.21   354.353   9166.14   500.852   9474.63   501.411   261.333 7.1553  265.703 7.0454  -4.370056      10.04172 
1 1 1 -8  6   12 o 406.207 7.5580  22232.00  822.262   21899.56  1162.46   22564.88  1163.25   403.150 10.765  409.263 10.612  -6.113312      15.11608 
1 1 1 -8  6   13 o 165.638 3.3949  3680.52   150.590   3757.92   212.913   3603.05   213.019   167.383 4.7490  163.893 4.8525  3.490814       6.789700 
1 1 1 -8  6   14 o 155.717 3.1644  3253.05   131.983   3241.07   186.466   3265.08   186.838   155.430 4.4790  156.005 4.4713  -0.5751801     6.328820 
1 1 1 -8  6   15 o 390.190 7.3511  20630.00  768.264   20524.65  1086.20   20735.46  1086.78   389.182 10.420  391.197 10.372  -2.014618      14.70211 
1 1 1 -8  6   16 o 28.478  1.7329  109.538   13.084    112.208   18.431    106.825   18.578    28.834  2.4085  28.121  2.4923  0.7130909      3.465842 
1 1 1 -8  6   17 o 105.016 2.4325  1479.53   68.422    1482.30   96.661    1476.75   96.865    105.115 3.4332  104.917 3.4469  0.1977921      4.864999 
1 1 1 -8  6   18 o 218.544 5.2165  6515.28   286.950   6642.40   352.288   6264.67   494.643   222.080 5.9224  215.008 8.5891  7.072189       10.43301 
1 1 1 -8  6   19 o 127.793 2.8063  2193.16   96.055    2209.33   135.651   2176.89   136.034   128.267 3.9484  127.318 3.9890  0.9487228      5.612666 
1 1 1 -8  6   20 o 129.560 2.8517  2255.23   98.935    2312.27   139.731   2197.88   140.100   131.209 3.9759  127.912 4.0892  3.297562       5.703490 
1 1 1 -8  6   21 o 77.080  2.1318  796.888   44.006    778.693   61.772    815.637   62.706    76.186  3.0271  77.974  3.0024  -1.787415      4.263539 
1 1 1 -8  6   22 o 60.747  1.9538  495.112   31.778    508.708   44.855    481.411   45.029    61.586  2.7192  59.908  2.8062  1.678051       3.907517 
1 1 1 -8  6   23 o 143.668 3.0639  2776.27   117.891   2819.69   166.553   2732.68   166.892   144.799 4.2943  142.537 4.3714  2.262405       6.127851 
1 1 1 -8  6   24 o 117.103 2.6786  1843.54   84.012    1814.59   118.485   1872.81   119.140   116.176 3.8077  118.029 3.7686  -1.853554      5.357282 
1 1 1 -8  6   25 f 25.050  2.0656  85.445    13.564    78.571    19.021    92.558    19.349    23.996  3.0267  26.104  2.8117  -2.108198      4.131191 
1 1 1 -8  6   26 o 214.826 4.2762  6276.73   246.053   6320.48   347.809   6232.89   348.133   215.589 6.0232  214.063 6.0718  1.525482       8.552487 
1 1 1 -8  6   27 o 11.239  4.5728  6.7166    21.608    6.7166    21.608    0.0000    0.0000    11.239  4.5728  ?       ?       ?              ?        
1 1 1 -8  6   28 o 81.575  2.1948  897.326   47.946    913.612   67.594    880.834   68.021    82.327  3.0654  80.823  3.1421  1.503555       4.389649 
1 1 1 -8  6   29 o 30.672  1.9741  128.104   16.009    133.176   22.301    122.711   22.995    31.322  2.6841  30.023  2.8954  1.299053       3.948136 
1 1 1 -8  6   30 o 57.369  1.9680  444.461   30.239    440.617   42.599    448.365   42.933    57.118  2.7844  57.619  2.7819  -0.5004883     3.935968 
1 1 1 -8  6   31 o 46.762  1.9637  296.732   24.482    294.973   34.316    298.554   34.937    46.624  2.7602  46.900  2.7938  -0.2755890     3.927355 
1 1 1 -8  6   32 o 9.6753  2.4971  8.8191    9.0161    -0.1318   12.958    17.219    12.553    7.9974  3.4162  11.353  3.6429  -3.355907      4.994121 
1 1 1 -8  6   33 o 21.827  2.3920  67.035    13.408    75.198    18.643    58.288    19.297    23.320  3.0585  20.334  3.6785  2.985931       4.783930 
1 1 1 -8  6   34 o 6.4022  2.0990  -10.5703  8.6321    -13.9364  12.207    -7.2030   12.209    6.0391  2.8558  6.7653  3.0770  -0.7261534     4.198093 
1 1 1 -8  6   35 o 41.856  2.0507  240.540   22.839    238.070   31.786    243.177   32.838    41.645  2.8671  42.067  2.9327  -0.4227791     4.101326 
1 1 1 -8  6   36 o 31.380  2.2068  137.134   18.274    142.993   25.628    131.074   26.064    32.107  3.0154  30.653  3.2228  1.453804       4.413529 
1 1 1 -8  6   37 o 40.783  2.0972  230.875   22.744    223.618   31.700    238.574   32.651    40.117  2.9713  41.448  2.9605  -1.331612      4.194424 
1 1 1 -8  6   38 o 23.904  2.5378  82.237    15.672    72.494    21.772    92.715    22.578    22.324  3.7760  25.485  3.3918  -3.161186      5.075665 
1 1 1 -8  6   39 o 32.884  2.2635  153.588   19.656    160.595   27.661    146.441   27.937    33.705  3.0987  32.062  3.3002  1.642860       4.526938 
1 1 1 -8  6   40 o 22.631  2.8156  78.986    15.942    107.537   22.295    49.112    22.805    27.488  3.0811  17.774  4.7134  9.714525       5.631128 
1 1 1 -8  6   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  6   42 o 26.679  2.7270  108.723   18.317    132.888   25.488    82.912    26.342    30.291  3.1894  23.068  4.4242  7.222399       5.454016 
1 1 1 -8  6   43 o 12.616  3.5073  19.411    15.475    31.535    30.890    15.349    17.880    14.243  5.5746  10.990  4.2578  3.252967       7.014665 
1 1 1 -8  7   1  o 343.945 6.3926  15884.04  588.907   15767.98  832.713   16000.18  832.967   342.685 9.0722  345.206 9.0087  -2.520264      12.78516 
1 1 1 -8  7   2  o 722.047 13.300  70599.91  2571.68   68863.10  3635.76   72338.91  3638.04   713.063 19.036  731.030 18.580  -17.96722      26.60048 
1 1 1 -8  7   3  o 54.888  1.7799  403.746   26.133    429.693   37.109    378.217   36.808    56.638  2.4461  53.137  2.5861  3.501266       3.559719 
1 1 1 -8  7   4  o 339.088 6.3246  15437.47  574.330   15103.46  812.155   15771.61  812.295   335.409 9.0401  342.766 8.8476  -7.356384      12.64929 
1 1 1 -8  7   5  o 338.479 6.2574  15379.83  567.274   15548.90  802.523   15211.00  801.971   340.342 8.8034  336.616 8.8948  3.726471       12.51470 
1 1 1 -8  7   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  7   7  o 221.825 4.2822  6597.56   254.427   6578.50   359.730   6616.63   359.899   221.504 6.0633  222.146 6.0486  -0.6415710     8.564378 
1 1 1 -8  7   8  o 357.186 6.6172  17137.56  633.035   16889.47  895.002   17385.92  895.492   354.591 9.4234  359.780 9.2926  -5.188507      13.23450 
1 1 1 -8  7   9  o 233.733 4.5188  7327.81   282.889   7242.20   399.946   7413.52   400.185   232.365 6.4260  235.101 6.3550  -2.736359      9.037685 
1 1 1 -8  7   10 o 202.476 3.9687  5497.95   215.236   5497.87   304.332   5498.04   304.447   202.475 5.6116  202.477 5.6137  -0.2914429E-02 7.937473 
1 1 1 -8  7   11 o 249.281 4.7992  8342.87   320.437   8364.72   453.091   8321.00   453.242   249.608 6.7770  248.953 6.7971  0.6549683      9.598344 
1 1 1 -8  7   12 o 241.199 4.6574  7814.93   300.869   7920.19   425.442   7709.63   425.542   242.829 6.5411  239.570 6.6317  3.259354       9.314763 
1 1 1 -8  7   13 o 174.764 3.4675  4098.98   162.311   4063.51   229.331   4134.58   229.756   174.005 4.9205  175.522 4.8870  -1.517670      6.935039 
1 1 1 -8  7   14 o 302.055 5.6950  12306.03  460.685   12055.94  651.120   12556.72  651.893   298.962 8.1312  305.149 7.9758  -6.187286      11.38995 
1 1 1 -8  7   15 o 177.193 3.5794  4219.05   169.863   4285.80   240.121   4152.19   240.326   178.601 5.0195  175.785 5.1042  2.815811       7.158763 
1 1 1 -8  7   16 o 135.988 2.8845  2484.21   104.966   2607.85   148.407   2360.46   148.481   139.384 3.9751  132.592 4.1809  6.792130       5.769003 
1 1 1 -8  7   17 o 251.123 9.7672  8574.37   656.973   8574.37   656.973   0.0000    0.0000    251.123 9.7672  ?       ?       ?              ?        
1 1 1 -8  7   18 o 109.877 2.5239  1620.59   74.268    1647.89   104.859   1593.11   105.204   110.808 3.5330  108.945 3.6052  1.862228       5.047781 
1 1 1 -8  7   19 o 263.898 5.0734  9413.90   358.603   9467.15   506.938   9360.56   507.345   264.653 7.1514  263.143 7.1982  1.509979       10.14673 
1 1 1 -8  7   20 o 64.966  2.0428  566.552   35.520    585.353   49.877    547.205   50.596    66.063  2.8187  63.869  2.9576  2.193771       4.085666 
1 1 1 -8  7   21 o 58.584  1.9589  460.663   30.716    477.352   43.212    443.617   43.669    59.659  2.7042  57.508  2.8350  2.150799       3.917894 
1 1 1 -8  7   22 o 77.077  2.0932  797.140   43.213    792.628   60.876    801.722   61.351    76.858  2.9571  77.297  2.9633  -0.4393463     4.186331 
1 1 1 -8  7   23 o 85.546  2.2539  982.574   51.640    965.639   72.708    999.813   73.357    84.802  3.2010  86.291  3.1739  -1.489426      4.507763 
1 1 1 -8  7   24 o 35.910  1.9238  174.181   18.348    165.488   25.903    182.934   25.994    34.999  2.7863  36.822  2.6533  -1.823765      3.847559 
1 1 1 -8  7   25 o 162.643 3.3979  3575.65   148.017   3603.36   209.077   3547.81   209.580   163.282 4.7806  162.003 4.8299  1.278839       6.795699 
1 1 1 -8  7   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  7   27 f 36.048  1.9380  175.801   18.568    171.480   25.948    180.336   26.581    35.592  2.7430  36.505  2.7384  -0.9133606     3.875938 
1 1 1 -8  7   28 o 83.697  2.2541  946.024   50.526    923.166   71.130    969.303   71.783    82.671  3.2123  84.723  3.1632  -2.051582      4.508288 
1 1 1 -8  7   29 o 46.994  1.9435  299.048   24.352    298.674   34.091    299.438   34.798    46.969  2.7215  47.019  2.7753  -0.4988098E-01 3.887016 
1 1 1 -8  7   30 o 71.981  2.1152  701.585   40.775    710.101   57.485    692.962   57.847    72.428  2.9632  71.534  3.0191  0.8939056      4.230332 
1 1 1 -8  7   31 o 45.781  1.9657  284.730   23.987    278.074   33.778    291.501   34.069    45.234  2.8017  46.328  2.7581  -1.093376      3.931444 
1 1 1 -8  7   32 o 40.339  2.0003  221.769   21.473    216.341   30.158    227.351   30.581    39.832  2.8454  40.846  2.8123  -1.013897      4.000667 
1 1 1 -8  7   33 f 22.987  2.3493  73.775    14.011    75.849    19.370    71.500    20.292    23.370  3.1767  22.604  3.4620  0.7663212      4.698597 
1 1 1 -8  7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  7   35 o 32.222  2.1999  144.465   18.679    155.403   26.188    133.139   26.649    33.535  2.9454  30.909  3.2685  2.626122       4.399845 
1 1 1 -8  7   36 o 10.307  2.7903  10.200    10.835    5.7332    14.562    15.738    16.215    9.2533  3.7581  11.360  4.1255  -2.106343      5.580583 
1 1 1 -8  7   37 o 27.712  2.2708  108.545   16.526    104.741   23.520    112.254   23.225    27.189  3.2971  28.235  3.1233  -1.046511      4.541595 
1 1 1 -8  7   38 f 18.039  2.8387  49.425    13.530    63.045    18.821    34.859    19.464    20.862  3.4916  15.215  4.4767  5.646892       5.677344 
1 1 1 -8  7   39 o 29.092  2.3328  121.138   17.822    113.290   25.090    129.131   25.321    28.071  3.4069  30.113  3.1878  -2.042824      4.665679 
1 1 1 -8  7   40 o 15.743  3.0886  37.940    13.492    34.873    18.668    41.294    19.522    15.099  4.3676  16.386  4.3683  -1.287109      6.177216 
1 1 1 -8  7   41 o 16.367  3.0075  41.384    14.462    63.357    20.558    19.856    20.349    20.493  3.8874  12.242  4.5900  8.251616       6.015011 
1 1 1 -8  7   42 o 18.929  3.0359  56.995    15.032    60.518    20.609    52.989    21.975    19.740  4.0340  18.119  4.5379  1.621054       6.071740 
1 1 1 -8  8   1  o 487.703 9.0029  32014.23  1176.03   31786.40  1662.84   32242.24  1663.48   485.959 12.775  489.447 12.689  -3.488617      18.00577 
1 1 1 -8  8   2  o 345.697 6.4427  16045.39  596.558   16062.18  843.832   16028.62  843.489   345.878 9.1084  345.516 9.1143  0.3621826      12.88540 
1 1 1 -8  8   3  f 579.103 10.638  45222.42  1650.14   45411.05  2333.99   45033.90  2333.29   580.318 15.016  577.888 15.074  2.430237       21.27683 
1 1 1 -8  8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  8   5  f 280.785 5.3090  10577.36  399.273   10536.84  564.804   10617.85  564.512   280.246 7.5244  281.323 7.4917  -1.077332      10.61795 
1 1 1 -8  8   6  o 251.083 4.8301  8455.92   324.833   8482.95   459.516   8428.94   459.252   251.485 6.8218  250.682 6.8397  0.8028717      9.660177 
1 1 1 -8  8   7  o 295.871 5.4727  11748.56  433.707   11729.08  613.305   11768.06  613.405   295.625 7.7454  296.117 7.7338  -0.4917603     10.94549 
1 1 1 -8  8   8  o 309.811 5.8494  12889.15  485.393   12844.23  686.320   12934.11  686.578   309.270 8.2851  310.353 8.2593  -1.082825      11.69873 
1 1 1 -8  8   9  o 299.245 5.6237  12028.18  450.720   12202.72  637.493   11853.73  637.336   301.422 7.8961  297.068 8.0098  4.353882       11.24747 
1 1 1 -8  8   10 o 128.326 2.7604  2207.60   94.862    2258.20   134.176   2157.03   134.133   129.798 3.8594  126.854 3.9477  2.943291       5.520791 
1 1 1 -8  8   11 f 294.136 5.5250  11638.17  435.232   11426.01  615.255   11850.69  615.768   291.441 7.8816  296.831 7.7450  -5.389374      11.05008 
1 1 1 -8  8   12 o 259.602 4.9055  9064.97   341.099   9054.58   482.266   9075.37   482.507   259.453 6.9397  259.751 6.9352  -0.2984924     9.811014 
1 1 1 -8  8   13 o 281.716 5.3245  10696.12  401.735   10524.10  567.850   10868.49  568.428   279.435 7.5869  283.997 7.4726  -4.562195      10.64898 
1 1 1 -8  8   14 o 53.449  1.8089  382.919   25.896    383.537   36.537    382.295   36.709    53.492  2.5501  53.405  2.5663  0.8697128E-01  3.617850 
1 1 1 -8  8   15 o 96.440  2.3150  1247.58   59.790    1218.59   84.382    1276.81   84.730    95.313  3.3053  97.566  3.2422  -2.253464      4.630023 
1 1 1 -8  8   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  8   17 o 102.427 2.4353  1408.14   66.798    1441.04   94.397    1375.14   94.536    103.628 3.4009  101.226 3.4867  2.402199       4.870624 
1 1 1 -8  8   18 o 161.607 3.2706  3511.24   141.572   3520.44   200.010   3502.01   200.415   161.821 4.6145  161.394 4.6361  0.4270477      6.541229 
1 1 1 -8  8   19 o 38.846  1.9562  203.591   20.201    210.195   28.297    196.728   28.847    39.499  2.6907  38.193  2.8402  1.305897       3.912335 
1 1 1 -8  8   20 o 106.322 2.4626  1517.48   70.123    1487.44   98.850    1547.91   99.492    105.261 3.5061  107.382 3.4591  -2.121651      4.925247 
1 1 1 -8  8   21 o 205.952 4.0516  5721.73   223.435   5552.39   315.498   5892.13   316.473   202.875 5.8060  209.029 5.6525  -6.154129      8.103125 
1 1 1 -8  8   22 o 103.476 2.4772  1438.50   68.652    1453.41   96.819    1423.43   97.360    104.017 3.4751  102.934 3.5313  1.083481       4.954420 
1 1 1 -8  8   23 o 42.310  1.8902  241.120   21.307    234.823   29.800    247.705   30.475    41.742  2.6795  42.877  2.6668  -1.135551      3.780419 
1 1 1 -8  8   24 o 99.094  2.3843  1320.81   63.282    1309.38   89.137    1332.43   89.856    98.662  3.3730  99.526  3.3707  -0.8646774     4.768520 
1 1 1 -8  8   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  8   26 o 67.776  2.0402  618.491   37.029    627.178   52.099    609.623   52.640    68.261  2.8495  67.291  2.9206  0.9706116      4.080359 
1 1 1 -8  8   27 o 61.092  2.0001  503.085   32.723    508.749   45.998    497.282   46.562    61.445  2.7949  60.739  2.8620  0.7054672      4.000292 
1 1 1 -8  8   28 o 33.810  1.9655  155.468   17.617    160.856   24.593    149.789   25.247    34.432  2.6879  33.189  2.8683  1.243702       3.930912 
1 1 1 -8  8   29 o 45.880  1.9732  285.487   24.131    283.771   33.836    287.264   34.423    45.742  2.7748  46.017  2.8062  -0.2750778     3.946434 
1 1 1 -8  8   30 o 39.802  1.9715  215.716   20.835    231.980   29.465    199.450   29.466    41.335  2.6757  38.268  2.8961  3.066853       3.942941 
1 1 1 -8  8   31 o 43.275  1.9688  254.843   22.698    252.035   32.051    257.668   32.149    43.032  2.7959  43.517  2.7726  -0.4859352     3.937557 
1 1 1 -8  8   32 o 27.747  2.1993  106.478   16.001    114.263   22.414    98.387    22.851    28.838  2.9430  26.656  3.2691  2.181763       4.398624 
1 1 1 -8  8   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  8   34 o 46.360  2.0486  295.291   25.306    291.625   35.361    299.141   36.231    46.071  2.8800  46.649  2.9143  -0.5781059     4.097208 
1 1 1 -8  8   35 o 26.511  2.3518  98.513    16.285    89.547    22.392    108.582   23.729    25.187  3.4065  27.835  3.2435  -2.648064      4.703634 
1 1 1 -8  8   36 o 12.907  2.9547  23.273    11.851    17.462    16.792    29.040    16.728    11.720  4.2061  14.094  4.1510  -2.374519      5.909491 
1 1 1 -8  8   37 o 32.772  2.2015  151.338   19.067    142.028   26.712    161.008   27.223    31.697  3.1897  33.847  3.0351  -2.149841      4.402915 
1 1 1 -8  8   38 o 32.089  2.3252  147.071   19.640    154.361   27.322    139.277   28.252    33.011  3.1274  31.166  3.4418  1.844685       4.650457 
1 1 1 -8  8   39 o 16.192  2.9542  39.073    14.032    17.930    19.483    61.861    20.227    11.968  4.4906  20.417  3.8397  -8.448699      5.908329 
1 1 1 -8  8   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  8   41 o 20.391  2.9789  64.604    15.675    63.778    21.188    65.602    23.299    20.363  4.0274  20.419  4.3905  -0.5647850E-01 5.957845 
1 1 1 -8  9   1  o 378.237 7.0799  19219.86  717.249   19052.29  1014.07   19387.61  1014.62   376.583 10.054  379.892 9.9713  -3.309174      14.15983 
1 1 1 -8  9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  9   3  o 200.332 4.7416  5336.69   241.258   5241.19   295.988   5525.73   416.443   197.728 5.5888  202.935 7.6614  -5.207138      9.483225 
1 1 1 -8  9   4  o 88.586  2.1743  1051.29   51.591    1052.70   73.052    1049.90   72.871    88.645  3.0768  88.527  3.0732  0.1177750      4.348652 
1 1 1 -8  9   5  o 216.381 4.1882  6279.56   242.639   6497.08   343.514   6062.98   342.773   220.126 5.8262  212.637 6.0184  7.489563       8.376465 
1 1 1 -8  9   6  o 271.312 5.1508  9878.54   374.283   10030.86  529.626   9726.58   529.008   273.405 7.2322  269.219 7.3361  4.186371       10.30166 
1 1 1 -8  9   7  o 156.529 3.1952  3284.26   133.955   3323.10   189.594   3245.54   189.287   157.454 4.4955  155.605 4.5416  1.849579       6.390316 
1 1 1 -8  9   8  o 84.512  2.1205  956.977   48.000    966.234   67.913    947.736   67.850    84.921  2.9857  84.103  3.0120  0.8171768      4.241045 
1 1 1 -8  9   9  o 360.918 6.7162  17543.65  649.263   17531.55  918.129   17555.75  918.263   360.793 9.5007  361.043 9.4955  -0.2499695     13.43238 
1 1 1 -8  9   10 o 125.352 2.7334  2106.99   91.766    2143.18   129.758   2070.78   129.795   126.430 3.8317  124.274 3.8993  2.156227       5.466872 
1 1 1 -8  9   11 o 409.285 7.5976  22683.55  832.891   22696.83  1177.80   22670.28  1177.97   409.406 10.741  409.163 10.749  0.2429199      15.19511 
1 1 1 -8  9   12 o 136.828 2.9232  2512.43   107.122   2552.61   151.464   2472.22   151.521   137.925 4.0999  135.731 4.1678  2.193710       5.846362 
1 1 1 -8  9   13 o 29.352  1.7184  116.289   13.383    119.679   18.923    112.897   18.931    29.786  2.3919  28.917  2.4678  0.8690357      3.436776 
1 1 1 -8  9   14 o 78.834  2.0573  833.377   43.434    814.707   61.286    852.216   61.563    77.946  2.9355  79.722  2.8831  -1.775894      4.114517 
1 1 1 -8  9   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  9   16 f 101.726 2.3829  1388.74   64.919    1412.72   91.736    1364.69   91.884    102.608 3.3379  100.845 3.4017  1.763153       4.765815 
1 1 1 -8  9   17 o 43.379  1.8457  253.262   21.343    256.911   30.115    249.579   30.252    43.696  2.5846  43.062  2.6356  0.6343765      3.691348 
1 1 1 -8  9   18 o 149.296 3.1292  2996.75   125.091   3083.41   176.827   2909.94   176.985   151.465 4.3586  147.127 4.4911  4.338455       6.258389 
1 1 1 -8  9   19 o 81.026  2.1509  880.959   46.672    894.318   65.821    867.450   66.190    81.645  3.0099  80.406  3.0733  1.238815       4.301715 
1 1 1 -8  9   20 f 83.203  2.1830  929.136   48.644    940.569   68.550    917.541   69.038    83.720  3.0570  82.685  3.1172  1.034523       4.366022 
1 1 1 -8  9   21 o 94.395  2.3095  1196.44   58.392    1187.64   82.265    1205.38   82.896    94.045  3.2658  94.745  3.2665  -0.6996765     4.619040 
1 1 1 -8  9   22 o 66.549  2.0199  594.614   36.003    597.346   50.686    591.830   51.149    66.704  2.8369  66.393  2.8762  0.3109589      4.039897 
1 1 1 -8  9   23 o 70.886  2.0876  675.369   39.625    689.128   55.767    661.339   56.313    71.619  2.9071  70.153  2.9969  1.465897       4.175255 
1 1 1 -8  9   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  9   25 o 86.153  2.2503  1000.01   51.926    984.324   73.124    1015.97   73.747    85.470  3.1942  86.837  3.1707  -1.366737      4.500673 
1 1 1 -8  9   26 o 54.301  1.9387  397.729   28.142    401.342   39.527    394.015   40.076    54.591  2.7032  54.011  2.7796  0.5793381      3.877348 
1 1 1 -8  9   27 o 19.836  2.2728  54.538    11.659    55.972    16.496    53.106    16.481    20.111  3.1672  19.560  3.2605  0.5508976      4.545520 
1 1 1 -8  9   28 o 22.206  2.1935  67.995    12.677    67.659    17.512    68.364    18.376    22.162  3.0294  22.250  3.1733  -0.8796692E-01 4.387089 
1 1 1 -8  9   29 o 27.910  2.1504  108.186   15.469    130.101   21.760    85.799    21.994    30.914  2.6536  24.906  3.3845  6.008024       4.300793 
1 1 1 -8  9   30 o 85.327  2.3055  990.652   52.687    974.061   74.197    1007.53   74.828    84.600  3.2743  86.053  3.2465  -1.452690      4.610948 
1 1 1 -8  9   31 o 36.622  2.0506  184.185   19.798    208.342   27.981    159.968   28.016    39.104  2.6878  34.139  3.0975  4.964458       4.101104 
1 1 1 -8  9   32 o 32.462  3.0287  145.036   26.030    0.0000    0.0000    145.036   26.030    ?       ?       32.462  3.0287  ?              ?        
1 1 1 -8  9   33 o 63.089  2.1097  545.032   35.614    512.325   49.890    579.015   50.854    61.130  3.0470  65.049  2.9188  -3.919117      4.219413 
1 1 1 -8  9   34 o 15.401  2.9250  34.495    12.335    31.559    17.103    37.677    17.806    14.743  4.1536  16.058  4.1196  -1.314755      5.850016 
1 1 1 -8  9   35 o 21.663  2.6933  70.153    14.637    95.631    20.574    44.044    20.827    26.137  2.9928  17.188  4.4787  8.948893       5.386611 
1 1 1 -8  9   36 f 16.130  2.9169  38.817    12.652    38.414    18.068    39.204    17.722    16.038  4.1679  16.222  4.0820  -0.1837654     5.833832 
1 1 1 -8  9   37 o 14.661  3.0552  31.846    13.144    22.674    18.409    41.385    18.774    12.764  4.4188  16.559  4.2204  -3.794547      6.110452 
1 1 1 -8  9   38 o 11.496  2.8747  16.066    11.675    5.8516    16.296    26.838    16.735    9.5308  3.9348  13.461  4.1920  -3.930464      5.749349 
1 1 1 -8  9   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  9   40 o 13.559  3.0984  27.997    13.216    35.705    18.185    19.371    19.238    15.116  4.2914  12.001  4.4702  3.115465       6.196719 
1 1 1 -8  10  1  o 246.502 4.7167  8151.54   311.298   7876.15   439.792   8428.06   440.692   242.323 6.7759  250.681 6.5633  -8.358475      9.433426 
1 1 1 -8  10  2  o 203.636 3.9688  5559.57   216.473   5577.65   306.179   5541.50   306.100   203.968 5.6043  203.305 5.6212  0.6627655      7.937644 
1 1 1 -8  10  3  o 248.430 4.7475  8279.41   315.877   8152.48   446.826   8406.21   446.609   246.523 6.7669  250.336 6.6606  -3.813217      9.495023 
1 1 1 -8  10  4  f 249.649 4.7591  8361.65   318.220   8278.57   450.184   8444.62   449.876   248.407 6.7661  250.891 6.6945  -2.483551      9.518211 
1 1 1 -8  10  5  o 335.462 6.2481  15121.41  561.396   14999.12  794.011   15243.66  793.858   334.102 8.8728  336.823 8.7994  -2.721741      12.49619 
1 1 1 -8  10  6  f 263.358 4.9329  9310.67   347.960   9373.54   492.320   9247.93   491.860   264.248 6.9558  262.468 6.9964  1.780121       9.865741 
1 1 1 -8  10  7  o 228.633 4.4118  7016.88   270.143   7142.64   382.333   6891.50   381.746   230.683 6.1878  226.583 6.2901  4.100143       8.823526 
1 1 1 -8  10  8  o 122.464 2.7275  2010.64   89.465    2006.39   126.631   2014.87   126.413   122.334 3.8646  122.593 3.8498  -0.2590103     5.454902 
1 1 1 -8  10  9  o 168.846 3.4143  3825.85   154.408   3865.18   218.409   3786.55   218.323   169.716 4.8046  167.977 4.8524  1.738464       6.828661 
1 1 1 -8  10  10 o 280.892 5.3624  10630.55  403.434   10512.05  570.370   10749.20  570.714   279.317 7.6238  282.468 7.5433  -3.151154      10.72489 
1 1 1 -8  10  11 o 319.825 6.0027  13820.75  514.107   13475.60  726.649   14166.68  727.465   315.793 8.5908  323.857 8.3863  -8.064209      12.00549 
1 1 1 -8  10  12 o 176.792 3.4974  4200.08   165.608   4164.35   234.050   4235.92   234.360   176.036 4.9638  177.547 4.9281  -1.510620      6.994719 
1 1 1 -8  10  13 o 339.151 7.7825  15595.04  668.401   15978.45  1155.93   15402.45  819.249   341.280 12.645  337.022 9.0755  4.258942       15.56501 
1 1 1 -8  10  14 o 122.115 3.7870  2013.46   121.993   2447.68   176.152   1613.25   169.112   134.928 4.8741  109.301 5.7972  25.62644       7.573908 
1 1 1 -8  10  15 o 230.213 4.4945  7148.93   277.068   7334.19   391.851   6963.71   391.815   233.217 6.2730  227.209 6.4382  6.007980       8.988929 
1 1 1 -8  10  16 o 162.395 3.3382  3546.27   145.196   3503.16   205.113   3589.57   205.564   161.402 4.7446  163.387 4.6972  -1.985229      6.676407 
1 1 1 -8  10  17 o 200.043 4.0071  5392.11   214.664   5265.06   303.235   5519.75   303.928   197.667 5.7274  202.418 5.6057  -4.750717      8.014177 
1 1 1 -8  10  18 o 46.084  1.8808  285.749   23.111    277.182   32.535    294.473   32.834    45.382  2.6885  46.786  2.6308  -1.403439      3.761545 
1 1 1 -8  10  19 o 147.579 3.1175  2930.34   123.159   3043.46   174.064   2816.95   174.282   150.445 4.3196  144.714 4.4963  5.731125       6.235014 
1 1 1 -8  10  20 o 98.913  2.3975  1314.06   63.506    1277.89   89.518    1350.70   90.106    97.540  3.4264  100.286 3.3545  -2.746193      4.795063 
1 1 1 -8  10  21 o 100.209 2.4441  1349.80   65.597    1361.45   92.550    1338.03   92.987    100.646 3.4331  99.772  3.4796  0.8745575      4.888142 
1 1 1 -8  10  22 o 32.791  1.9682  145.373   17.116    140.020   23.913    150.996   24.509    32.166  2.8036  33.417  2.7631  -1.250786      3.936370 
1 1 1 -8  10  23 o 86.027  4.8264  1004.98   110.761   0.0000    0.0000    1004.98   110.761   ?       ?       86.027  4.8264  ?              ?        
1 1 1 -8  10  24 o 130.188 2.8769  2291.98   100.310   2253.04   141.471   2331.35   142.252   129.068 4.0922  131.307 4.0447  -2.238770      5.753748 
1 1 1 -8  10  25 o 63.844  2.0458  549.445   34.975    558.996   49.196    539.686   49.731    64.410  2.8516  63.277  2.9342  1.133545       4.091599 
1 1 1 -8  10  26 o 70.216  2.1305  666.011   40.059    675.147   56.307    656.647   57.002    70.712  2.9729  69.721  3.0524  0.9909515      4.260922 
1 1 1 -8  10  27 o 36.014  1.9211  176.085   18.394    173.132   25.850    179.114   26.178    35.706  2.7235  36.323  2.7102  -0.6176453     3.842223 
1 1 1 -8  10  28 o 41.051  1.9807  229.587   21.580    246.888   30.305    211.788   30.738    42.659  2.6656  39.443  2.9304  3.216095       3.961416 
1 1 1 -8  10  29 o 73.397  2.1679  731.807   42.599    753.531   60.016    709.750   60.474    74.515  3.0070  72.280  3.1237  2.234741       4.335832 
1 1 1 -8  10  30 o 25.837  2.1953  92.681    14.754    103.357   20.632    81.508    21.106    27.449  2.8477  24.224  3.3419  3.224514       4.390636 
1 1 1 -8  10  31 o 53.175  2.0449  386.620   28.983    402.905   40.716    369.893   41.264    54.345  2.8068  52.006  2.9747  2.338829       4.089839 
1 1 1 -8  10  32 o 62.560  2.1258  535.747   35.618    528.661   50.074    543.003   50.675    62.140  3.0085  62.980  3.0040  -0.8392830     4.251510 
1 1 1 -8  10  33 o 58.277  2.1129  467.938   32.868    460.988   46.191    475.066   46.779    57.836  2.9920  58.719  2.9841  -0.8829842     4.225762 
1 1 1 -8  10  34 f 29.831  2.2275  124.879   17.475    132.625   24.471    116.816   24.965    30.846  2.9998  28.816  3.2936  2.029751       4.454966 
1 1 1 -8  10  35 o 27.342  2.3820  106.810   16.945    116.626   23.579    96.325    24.370    28.779  3.1082  25.905  3.6103  2.873783       4.763919 
1 1 1 -8  10  36 o 11.020  2.7628  13.041    11.451    26.741    15.778    -2.2064   16.645    13.477  4.0465  8.5630  3.7627  4.913685       5.525550 
1 1 1 -8  10  37 o 16.024  2.9403  38.790    13.049    50.225    18.563    27.619    18.347    18.360  3.8953  13.688  4.4054  4.672829       5.880506 
1 1 1 -8  10  38 o 36.233  3.2735  187.824   31.426    0.0000    0.0000    187.824   31.426    ?       ?       36.233  3.2735  ?              ?        
1 1 1 -8  10  39 o 8.8053  2.5550  -2.1978   11.274    -22.8957  16.356    16.537    15.561    6.4769  3.1268  11.134  4.0417  -4.656865      5.109993 
1 1 1 -8  10  40 o 32.600  2.4704  158.206   21.136    169.743   29.573    146.160   30.219    34.006  3.2878  31.194  3.6880  2.811544       4.940763 
1 1 1 -8  11  1  o 159.775 3.2701  3421.75   139.931   3360.81   197.589   3483.07   198.197   158.347 4.6587  161.204 4.5902  -2.856506      6.540149 
1 1 1 -8  11  2  o 326.225 6.1669  14297.03  538.855   14302.71  762.060   14291.36  762.052   326.289 8.7196  326.160 8.7230  0.1298218      12.33378 
1 1 1 -8  11  3  o 255.722 4.9014  8776.93   335.697   8663.67   474.820   8890.12   474.673   254.068 6.9773  257.375 6.8856  -3.306274      9.802770 
1 1 1 -8  11  4  o 173.352 3.4730  4029.38   161.260   4043.05   228.312   4015.76   227.800   173.646 4.9088  173.058 4.9144  0.5872192      6.946065 
1 1 1 -8  11  5  o 307.139 5.7348  12682.99  471.729   12469.87  667.193   12896.03  667.058   304.549 8.1791  309.729 8.0407  -5.180511      11.46952 
1 1 1 -8  11  6  o 134.108 2.8452  2411.42   102.196   2387.99   144.682   2434.75   144.371   133.457 4.0475  134.759 3.9998  -1.302231      5.690347 
1 1 1 -8  11  7  o 286.385 5.4402  11037.53  417.302   10971.22  590.287   11103.78  590.020   285.521 7.7186  287.249 7.6687  -1.728760      10.88047 
1 1 1 -8  11  8  o 93.870  2.2450  1181.31   56.437    1207.35   79.965    1155.46   79.665    94.902  3.1458  92.839  3.2037  2.063423       4.489963 
1 1 1 -8  11  9  o 150.592 3.0837  3043.98   124.371   2995.29   175.922   3092.63   175.854   149.385 4.3967  151.799 4.3251  -2.413239      6.167411 
1 1 1 -8  11  10 o 198.729 3.8920  5310.20   207.161   5360.41   293.017   5260.02   292.923   199.672 5.4788  197.786 5.5293  1.885742       7.783982 
1 1 1 -8  11  11 o 222.510 4.2659  6666.22   254.214   6775.93   359.560   6556.57   359.467   224.350 5.9835  220.669 6.0817  3.680176       8.531701 
1 1 1 -8  11  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  11  13 o 175.384 3.5259  4137.35   165.593   4239.83   234.158   4034.84   234.210   177.566 4.9233  173.202 5.0485  4.363800       7.051716 
1 1 1 -8  11  14 o 149.570 3.0554  3006.12   122.388   2944.96   172.843   3067.61   173.324   148.040 4.3590  151.100 4.2826  -3.060120      6.110741 
1 1 1 -8  11  15 o 127.553 2.8026  2185.29   95.750    2196.03   135.260   2174.51   135.562   127.869 3.9493  127.238 3.9777  0.6307526      5.605247 
1 1 1 -8  11  16 o 122.458 2.6840  2013.79   88.036    2006.54   124.267   2021.10   124.737   122.237 3.7955  122.679 3.7961  -0.4427567     5.368027 
1 1 1 -8  11  17 o 94.862  2.3312  1207.75   59.228    1189.71   83.562    1225.96   83.961    94.149  3.3136  95.575  3.2798  -1.425789      4.662304 
1 1 1 -8  11  18 o 162.412 3.3203  3549.75   144.439   3532.36   203.968   3567.25   204.567   162.012 4.7003  162.812 4.6909  -0.7998810     6.640604 
1 1 1 -8  11  19 o 108.810 2.5415  1590.76   74.070    1578.77   104.486   1602.88   105.018   108.397 3.5988  109.222 3.5897  -0.8254776     5.083041 
1 1 1 -8  11  20 o 83.071  2.1863  927.148   48.631    950.031   68.618    904.055   68.932    84.105  3.0460  82.037  3.1370  2.067406       4.372529 
1 1 1 -8  11  21 o 61.974  1.9921  515.919   33.067    514.672   46.522    517.192   47.008    61.899  2.8060  62.049  2.8285  -0.1498184     3.984164 
1 1 1 -8  11  22 o 72.476  4.5552  713.056   87.978    0.0000    0.0000    713.056   87.978    ?       ?       72.476  4.5552  ?              ?        
1 1 1 -8  11  23 o 60.060  1.9667  485.270   31.636    483.253   44.457    487.340   45.027    59.934  2.7694  60.185  2.7932  -0.2505646     3.933330 
1 1 1 -8  11  24 o 47.887  1.9229  309.722   24.559    301.933   34.479    317.743   34.990    47.272  2.7348  48.503  2.7041  -1.230392      3.845898 
1 1 1 -8  11  25 o 71.719  2.1203  694.499   40.728    684.320   57.282    704.906   57.920    71.187  3.0042  72.252  2.9929  -1.065018      4.240610 
1 1 1 -8  11  26 o 103.363 2.4863  1450.34   68.829    1424.65   96.955    1476.45   97.728    102.433 3.5338  104.293 3.4984  -1.859863      4.972601 
1 1 1 -8  11  27 o 21.424  2.2728  63.553    12.611    58.011    17.562    69.453    18.119    20.417  3.3260  22.432  3.0984  -2.015148      4.545572 
1 1 1 -8  11  28 o 69.826  2.1109  661.366   39.477    650.789   55.541    672.165   56.121    69.259  2.9939  70.393  2.9765  -1.133530      4.221777 
1 1 1 -8  11  29 o 19.983  2.4738  56.038    12.753    53.191    17.803    59.039    18.277    19.438  3.5503  20.529  3.4460  -1.091648      4.947661 
1 1 1 -8  11  30 o 34.701  2.0311  165.000   18.703    165.815   26.162    164.149   26.747    34.800  2.8312  34.602  2.9130  0.1985130      4.062230 
1 1 1 -8  11  31 o 15.809  3.1526  35.387    13.580    33.302    17.103    38.945    22.341    15.205  4.1041  16.413  4.7867  -1.207892      6.305212 
1 1 1 -8  11  32 o 30.990  2.2002  133.651   17.974    140.589   25.151    126.409   25.696    31.866  2.9813  30.114  3.2365  1.751768       4.400352 
1 1 1 -8  11  33 o 32.594  2.1814  148.246   18.795    151.274   26.154    145.012   27.027    32.979  2.9935  32.210  3.1740  0.7687035      4.362885 
1 1 1 -8  11  34 o 31.458  2.2211  138.941   18.376    123.038   25.504    156.110   26.499    29.505  3.2829  33.412  2.9928  -3.906822      4.442273 
1 1 1 -8  11  35 o 15.235  3.0127  34.831    12.797    37.167    17.885    32.381    18.318    15.744  4.1737  14.726  4.3457  1.018233       6.025334 
1 1 1 -8  11  36 f 28.182  2.3998  114.102   17.625    100.380   24.764    128.190   25.091    26.324  3.6071  30.040  3.1661  -3.715719      4.799522 
1 1 1 -8  11  37 o 16.303  3.2040  40.953    14.502    38.982    20.342    42.990    20.681    15.912  4.5463  16.694  4.5159  -0.7820578     6.408030 
1 1 1 -8  11  38 o 10.308  2.6293  0.9254    12.188    -27.7861  17.012    31.203    17.469    6.3488  3.0939  14.267  4.2521  -7.917728      5.258568 
1 1 1 -8  11  39 o 13.277  3.0638  25.686    13.434    40.260    19.224    11.776    18.782    15.897  4.3764  10.657  4.2890  5.240376       6.127651 
1 1 1 -8  12  1  o 432.878 8.0513  25257.86  933.503   25381.69  1319.99   25133.97  1320.35   433.947 11.357  431.809 11.416  2.137360       16.10258 
1 1 1 -8  12  2  o 228.191 4.3799  6988.45   267.698   7015.74   378.513   6961.13   378.650   228.638 6.1808  227.744 6.2073  0.8936768      8.759705 
1 1 1 -8  12  3  o 106.817 2.4280  1529.39   69.454    1497.07   98.264    1561.66   98.182    105.688 3.4712  107.946 3.3957  -2.257668      4.855938 
1 1 1 -8  12  4  o 206.361 4.0209  5716.40   222.248   5754.62   314.600   5678.31   314.013   207.051 5.6727  205.671 5.7001  1.379730       8.041854 
1 1 1 -8  12  5  o 86.605  2.1993  1005.27   51.009    1028.62   72.384    982.243   71.895    87.604  3.0848  85.606  3.1355  1.998672       4.398557 
1 1 1 -8  12  6  o 233.967 4.5495  7361.46   285.040   7548.61   403.487   7175.00   402.729   236.947 6.3575  230.987 6.5093  5.959915       9.098902 
1 1 1 -8  12  7  o 212.950 4.1204  6096.44   235.012   6155.34   332.575   6037.70   332.139   213.981 5.8026  211.919 5.8514  2.061447       8.240725 
1 1 1 -8  12  8  o 250.025 4.7692  8420.29   319.386   8412.54   451.835   8428.04   451.526   249.908 6.7501  250.141 6.7392  -0.2324982     9.538378 
1 1 1 -8  12  9  o 106.873 2.4616  1532.38   70.450    1571.23   99.807    1493.80   99.457    108.225 3.4431  105.521 3.5189  2.704308       4.923160 
1 1 1 -8  12  10 o 136.868 2.9199  2515.36   107.043   2518.09   151.464   2512.62   151.301   136.943 4.1293  136.794 4.1294  0.1488342      5.839788 
1 1 1 -8  12  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  12  12 o 91.907  2.2759  1133.56   56.000    1176.77   79.324    1090.62   79.067    93.657  3.1621  90.158  3.2742  3.498955       4.551829 
1 1 1 -8  12  13 o 119.382 2.6293  1913.54   84.069    1886.11   118.780   1941.07   119.004   118.523 3.7415  120.241 3.6950  -1.718040      5.258545 
1 1 1 -8  12  14 o 127.573 2.7690  2186.05   94.606    2225.33   133.744   2146.72   133.842   128.723 3.8791  126.422 3.9526  2.300751       5.538043 
1 1 1 -8  12  15 o 106.990 2.4979  1536.70   71.582    1535.31   101.064   1538.10   101.401   106.942 3.5282  107.038 3.5368  -0.9642792E-01 4.995751 
1 1 1 -8  12  16 o 183.443 3.6727  4531.57   180.459   4510.55   254.905   4552.69   255.511   183.015 5.2000  183.870 5.1881  -0.8552399     7.345490 
1 1 1 -8  12  17 o 225.792 4.3972  6887.96   265.910   6985.82   375.849   6789.88   376.260   227.413 6.1703  224.171 6.2664  3.242142       8.794392 
1 1 1 -8  12  18 o 97.574  2.3631  1278.74   61.751    1249.29   87.022    1308.60   87.639    96.440  3.3689  98.708  3.3148  -2.267403      4.726216 
1 1 1 -8  12  19 o 123.329 2.7309  2046.77   90.209    2059.62   127.296   2033.80   127.854   123.722 3.8413  122.937 3.8828  0.7843857      5.461836 
1 1 1 -8  12  20 o 198.940 3.9761  5365.71   211.869   5356.29   299.230   5375.19   300.027   198.766 5.6205  199.114 5.6256  -0.3481598     7.952183 
1 1 1 -8  12  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  12  22 o 158.930 3.3282  3427.71   141.676   3394.38   199.938   3461.33   200.786   158.148 4.7200  159.712 4.6936  -1.563858      6.656448 
1 1 1 -8  12  23 o 26.643  2.0405  97.135    14.239    107.707   20.068    86.415    20.208    28.156  2.6939  25.131  3.0656  3.024834       4.081062 
1 1 1 -8  12  24 o 61.649  2.0211  513.156   33.353    530.476   46.960    495.526   47.378    62.710  2.7958  60.589  2.9194  2.120670       4.042208 
1 1 1 -8  12  25 o 96.247  2.3992  1256.55   61.845    1268.45   87.136    1244.47   87.790    96.717  3.3636  95.778  3.4221  0.9394684      4.798413 
1 1 1 -8  12  26 f 41.897  1.9397  238.180   21.614    220.759   30.162    256.566   30.987    40.303  2.8117  43.492  2.6730  -3.189297      3.879484 
1 1 1 -8  12  27 o 82.300  2.2593  920.364   49.775    879.035   69.903    962.872   70.892    80.407  3.2457  84.193  3.1436  -3.786118      4.518544 
1 1 1 -8  12  28 o 25.077  2.1889  86.804    14.386    84.532    20.320    89.087    20.371    24.734  3.1378  25.421  3.0528  -0.6874218     4.377790 
1 1 1 -8  12  29 o 45.990  2.0355  290.446   24.730    332.360   34.969    248.511   34.978    49.407  2.6522  42.573  3.0885  6.834320       4.070938 
1 1 1 -8  12  30 o 12.317  4.1280  20.129    16.044    20.129    16.044    0.0000    0.0000    12.317  4.1280  ?       ?       ?              ?        
1 1 1 -8  12  31 o 45.141  2.0875  280.622   25.092    270.378   35.178    291.233   35.802    44.286  2.9830  45.995  2.9212  -1.709393      4.175101 
1 1 1 -8  12  32 o 18.564  2.7943  50.217    13.459    50.336    18.654    50.088    19.437    18.613  3.8679  18.514  4.0338  0.9974289E-01  5.588570 
1 1 1 -8  12  33 o 22.215  2.5144  71.031    14.421    65.677    20.476    76.301    20.314    21.296  3.7254  23.135  3.3779  -1.838783      5.028773 
1 1 1 -8  12  34 o 12.591  2.9078  22.542    11.280    22.792    16.047    22.297    15.858    12.650  4.1241  12.533  4.1004  0.1171932      5.815659 
1 1 1 -8  12  35 o 30.808  2.2907  134.782   18.571    123.251   25.752    147.279   26.808    29.373  3.3321  32.242  3.1443  -2.868614      4.581406 
1 1 1 -8  12  36 o 11.831  3.0387  18.109    12.482    14.725    17.220    21.854    18.118    11.132  4.2120  12.529  4.3810  -1.396985      6.077345 
1 1 1 -8  12  37 o 12.933  3.1302  23.364    13.762    34.397    19.123    11.512    19.819    14.927  4.4488  10.940  4.4048  3.986895       6.260461 
1 1 1 -8  12  38 o 15.016  3.2441  35.901    14.290    33.171    20.376    38.544    20.047    14.487  4.6404  15.544  4.5346  -1.056705      6.488158 
1 1 1 -8  13  1  o 172.938 3.4564  4012.55   160.068   3904.35   225.946   4121.57   226.796   170.594 4.9448  175.282 4.8307  -4.688263      6.912827 
1 1 1 -8  13  2  o 229.025 4.4129  7046.86   270.697   7114.77   382.737   6978.89   382.911   230.133 6.2092  227.918 6.2724  2.215302       8.825872 
1 1 1 -8  13  3  o 253.135 4.7898  8618.64   324.671   8385.98   459.024   8851.56   459.285   249.702 6.8632  256.568 6.6833  -6.866043      9.579639 
1 1 1 -8  13  4  o 170.549 3.4893  3905.24   159.386   3961.96   225.690   3848.81   225.124   171.787 4.9049  169.311 4.9642  2.475906       6.978648 
1 1 1 -8  13  5  o 116.869 2.6268  1832.05   82.227    1846.46   116.559   1817.78   116.015   117.326 3.7090  116.411 3.7208  0.9155502      5.253664 
1 1 1 -8  13  6  o 188.676 3.7428  4784.77   189.132   4861.62   267.797   4708.28   267.150   190.193 5.2568  187.160 5.3291  3.032501       7.485544 
1 1 1 -8  13  7  o 177.928 3.5681  4255.40   170.019   4353.61   240.747   4157.68   240.141   179.983 4.9939  175.874 5.0977  4.109558       7.136245 
1 1 1 -8  13  8  o 273.920 5.2326  10132.48  383.900   10207.59  543.185   10057.52  542.648   274.941 7.3760  272.898 7.4238  2.043213       10.46510 
1 1 1 -8  13  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  13  10 o 139.072 3.5147  2563.92   124.976   2480.43   153.996   2725.00   213.899   135.884 4.2311  142.260 5.6135  -6.376144      7.029495 
1 1 1 -8  13  11 o 148.883 3.1125  2979.27   124.099   2916.58   175.512   3041.94   175.494   147.312 4.4482  150.455 4.3548  -3.143631      6.224966 
1 1 1 -8  13  12 o 86.259  2.1790  998.240   50.344    998.249   71.248    998.231   71.146    86.259  3.0837  86.259  3.0793  0.5950928E-03  4.357951 
1 1 1 -8  13  13 o 58.248  1.9625  455.049   30.614    445.247   43.193    464.944   43.398    57.617  2.7988  58.879  2.7518  -1.262127      3.925052 
1 1 1 -8  13  14 o 188.194 3.7610  4771.14   189.468   4574.08   267.589   4969.26   268.308   184.276 5.4214  192.113 5.2142  -7.836884      7.521935 
1 1 1 -8  13  15 o 57.673  1.9619  447.018   30.218    472.932   42.819    421.308   42.650    59.380  2.6922  55.967  2.8546  3.412354       3.923854 
1 1 1 -8  13  16 o 150.002 3.0906  3027.07   124.171   3048.49   175.433   3005.57   175.775   150.537 4.3509  149.468 4.3906  1.069458       6.181217 
1 1 1 -8  13  17 o 107.618 2.5484  1556.59   73.459    1543.29   103.676   1570.00   104.098   107.156 3.6122  108.081 3.5959  -0.9250717     5.096900 
1 1 1 -8  13  18 o 71.378  2.0763  684.249   39.693    675.625   55.919    693.008   56.353    70.924  2.9436  71.832  2.9290  -0.9076233     4.152523 
1 1 1 -8  13  19 o 149.078 3.1494  3000.32   125.754   2981.43   177.453   3019.37   178.236   148.605 4.4582  149.550 4.4496  -0.9449310     6.298774 
1 1 1 -8  13  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  13  21 o 89.102  2.2844  1070.16   54.516    1072.82   76.796    1067.45   77.401    89.217  3.2137  88.987  3.2474  0.2294235      4.568718 
1 1 1 -8  13  22 o 42.431  1.9328  243.778   21.817    257.123   30.750    230.250   30.960    43.620  2.6444  41.243  2.8195  2.377399       3.865546 
1 1 1 -8  13  23 o 28.462  2.0974  111.654   15.318    83.681    21.375    141.191   21.964    24.654  3.3215  32.270  2.5622  -7.616100      4.194895 
1 1 1 -8  13  24 o 50.277  1.9483  342.312   26.127    329.933   36.653    355.100   37.252    49.344  2.7846  51.209  2.7257  -1.865253      3.896580 
1 1 1 -8  13  25 o 34.320  1.9598  160.258   17.801    144.041   24.822    177.430   25.543    32.500  2.8813  36.141  2.6573  -3.640968      3.919590 
1 1 1 -8  13  26 o 44.403  1.9895  268.353   23.516    277.773   32.985    258.616   33.535    45.218  2.7363  43.589  2.8887  1.628704       3.978939 
1 1 1 -8  13  27 o 22.681  2.3236  71.614    13.678    74.110    19.018    68.939    19.686    23.131  3.1516  22.231  3.4153  0.9000187      4.647249 
1 1 1 -8  13  28 f 25.441  2.2374  89.728    14.842    79.915    20.780    99.947    21.205    23.955  3.3285  26.926  2.9908  -2.971066      4.474779 
1 1 1 -8  13  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  13  30 o 40.395  2.0982  224.935   22.526    213.435   31.545    236.900   32.176    39.316  3.0186  41.473  2.9151  -2.157017      4.196356 
1 1 1 -8  13  31 o 32.631  2.1718  148.323   18.745    150.487   26.175    146.046   26.858    32.905  3.0030  32.358  3.1384  0.5468674      4.343656 
1 1 1 -8  13  32 o 10.523  2.7927  12.099    10.769    7.9543    14.997    16.511    15.472    9.6878  3.8552  11.358  4.0416  -1.670458      5.585370 
1 1 1 -8  13  33 o 25.095  2.4557  90.249    16.031    83.390    22.355    97.509    23.000    24.050  3.5796  26.141  3.3627  -2.091604      4.911344 
1 1 1 -8  13  34 o 18.436  2.8568  52.078    14.097    73.469    19.824    30.195    20.050    22.587  3.3807  14.285  4.6061  8.301327       5.713648 
1 1 1 -8  13  35 o 8.8420  2.6654  1.8368    11.168    4.7235    15.189    -1.5612   16.479    9.1167  3.7841  8.5673  3.7547  0.5494318      5.330779 
1 1 1 -8  13  36 o 12.729  4.5194  22.829    19.337    22.829    19.337    0.0000    0.0000    12.729  4.5194  ?       ?       ?              ?        
1 1 1 -8  13  37 o 28.196  2.5721  118.165   18.883    129.187   26.750    107.218   26.659    29.672  3.4290  26.721  3.8346  2.950821       5.144183 
1 1 1 -8  14  1  o 219.651 4.2665  6485.94   251.007   6513.71   354.640   6458.07   355.315   220.125 6.0149  219.178 6.0524  0.9472198      8.532917 
1 1 1 -8  14  2  o 171.896 3.4825  3968.35   160.321   3891.87   226.475   4045.16   226.982   170.232 4.9670  173.560 4.8826  -3.328232      6.964942 
1 1 1 -8  14  3  o 143.777 3.0383  2774.79   117.006   2789.74   165.492   2759.84   165.451   144.165 4.2858  143.389 4.3079  0.7762451      6.076648 
1 1 1 -8  14  4  o 242.938 4.7495  7952.67   309.018   7817.11   437.101   8088.12   436.934   240.856 6.7754  245.021 6.6577  -4.165436      9.499002 
1 1 1 -8  14  5  o 260.127 5.0462  9129.33   351.589   9088.62   497.494   9169.95   496.950   259.543 7.1563  260.712 7.1164  -1.169403      10.09240 
1 1 1 -8  14  6  o 322.800 6.1008  14115.73  527.478   14174.30  746.310   14057.26  745.624   323.475 8.6137  322.125 8.6418  1.350220       12.20151 
1 1 1 -8  14  7  o 199.482 5.5736  5382.10   297.748   5240.36   417.743   5528.45   424.497   196.803 7.9248  202.162 7.8395  -5.359177      11.14718 
1 1 1 -8  14  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  14  9  o 108.680 2.4978  1585.47   72.706    1569.19   103.026   1601.62   102.620   108.122 3.5575  109.238 3.5073  -1.115196      4.995646 
1 1 1 -8  14  10 o 211.408 4.1443  6023.91   234.664   5965.95   331.995   6081.77   331.734   210.385 5.8915  212.432 5.8302  -2.046341      8.288611 
1 1 1 -8  14  11 o 116.289 2.6186  1815.79   81.562    1825.32   115.496   1806.30   115.196   116.594 3.6983  115.984 3.7081  0.6095886      5.237123 
1 1 1 -8  14  12 o 58.492  1.9655  459.135   30.771    438.859   43.548    479.352   43.484    57.199  2.8424  59.784  2.7156  -2.584743      3.931090 
1 1 1 -8  14  13 o 184.375 3.7459  4578.95   184.976   4645.62   261.690   4512.38   261.502   185.724 5.2605  183.027 5.3342  2.697388       7.491807 
1 1 1 -8  14  14 o 227.863 4.4529  7014.84   271.771   6992.25   384.265   7037.45   384.419   227.493 6.3063  228.233 6.2883  -0.7398071     8.905749 
1 1 1 -8  14  15 o 261.606 5.0250  9281.60   352.097   9346.55   497.883   9216.62   497.996   262.534 7.0803  260.679 7.1323  1.854950       10.04994 
1 1 1 -8  14  16 o 30.666  1.9595  127.355   15.897    119.710   22.455    135.036   22.509    29.726  2.8554  31.607  2.6841  -1.881046      3.918937 
1 1 1 -8  14  17 o 194.660 3.8703  5129.02   201.794   5095.96   285.151   5162.20   285.609   194.026 5.4869  195.294 5.4600  -1.267105      7.740648 
1 1 1 -8  14  18 o 88.477  2.2744  1053.18   53.893    1070.49   76.113    1035.77   76.320    89.210  3.1853  87.743  3.2474  1.466499       4.548849 
1 1 1 -8  14  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  14  20 o 56.096  1.9667  424.059   29.494    412.154   41.513    436.193   41.911    55.262  2.8139  56.930  2.7485  -1.667992      3.933469 
1 1 1 -8  14  21 o 70.973  2.1014  679.330   39.937    657.452   56.167    701.702   56.798    69.812  3.0037  72.134  2.9397  -2.322105      4.202888 
1 1 1 -8  14  22 o 44.085  1.9359  263.111   22.719    246.623   31.825    280.245   32.442    42.660  2.8008  45.510  2.6732  -2.849075      3.871731 
1 1 1 -8  14  23 o 31.329  1.9831  133.850   16.371    117.495   22.926    150.866   23.385    29.329  2.9588  33.329  2.6412  -3.999971      3.966168 
1 1 1 -8  14  24 f 28.177  2.0785  108.610   15.440    102.687   21.631    114.763   22.047    27.373  2.9993  28.980  2.8784  -1.606647      4.157050 
1 1 1 -8  14  25 f 62.366  2.0682  527.409   34.546    525.813   48.610    529.039   49.106    62.273  2.9143  62.459  2.9353  -0.1851959     4.136322 
1 1 1 -8  14  26 o 57.347  2.0701  447.850   31.698    467.745   44.576    427.499   45.083    58.702  2.8350  55.993  3.0172  2.708981       4.140138 
1 1 1 -8  14  27 o 25.290  2.2660  88.772    14.833    73.954    20.588    104.764   21.388    22.994  3.4491  27.586  2.9399  -4.591803      4.532034 
1 1 1 -8  14  28 o 26.793  5.7737  106.968   40.212    106.968   40.212    0.0000    0.0000    26.793  5.7737  ?       ?       ?              ?        
1 1 1 -8  14  29 o 26.835  2.3189  100.672   16.321    100.957   23.035    100.385   23.127    26.878  3.2668  26.792  3.2920  0.8567047E-01  4.637774 
1 1 1 -8  14  30 o 27.655  2.2345  107.039   16.147    93.417    22.471    121.584   23.220    25.748  3.3368  29.563  2.9727  -3.815086      4.468905 
1 1 1 -8  14  31 o 63.055  2.1900  552.868   36.900    526.813   51.506    580.342   52.890    61.463  3.1391  64.647  3.0545  -3.184715      4.379930 
1 1 1 -8  14  32 o 23.680  2.4906  80.882    15.265    86.314    21.359    75.210    21.825    24.594  3.3278  22.766  3.7066  1.827686       4.981267 
1 1 1 -8  14  33 o 12.941  3.0384  23.941    12.334    26.083    17.142    21.642    17.760    13.365  4.2537  12.517  4.3397  0.8477449      6.076784 
1 1 1 -8  14  34 o 10.786  2.9287  12.967    11.874    12.255    16.373    13.756    17.246    10.587  4.0820  10.985  4.2009  -0.3979807     5.857454 
1 1 1 -8  14  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  14  36 o 16.013  3.1022  40.284    13.773    34.823    19.200    46.075    19.770    14.887  4.4624  17.140  4.3105  -2.253279      6.204322 
1 1 1 -8  15  1  o 239.855 4.6391  7750.59   298.024   7831.40   421.158   7669.54   421.780   241.116 6.5213  238.594 6.5999  2.521530       9.278227 
1 1 1 -8  15  2  o 81.907  2.1512  900.068   47.170    931.891   66.601    868.038   66.817    83.363  2.9828  80.452  3.1007  2.910866       4.302498 
1 1 1 -8  15  3  o 172.781 3.5262  4014.04   163.141   3898.61   230.582   4129.75   230.852   170.284 5.0555  175.277 4.9172  -4.993713      7.052432 
1 1 1 -8  15  4  o 100.746 2.4070  1361.82   64.950    1376.91   92.020    1346.83   91.688    101.303 3.3913  100.189 3.4167  1.114098       4.814044 
1 1 1 -8  15  5  o 76.644  2.9423  787.979   59.652    649.160   81.814    945.536   87.161    69.368  4.4264  83.919  3.8777  -14.55106      5.884650 
1 1 1 -8  15  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  15  7  o 145.204 3.1012  2833.71   120.605   2803.72   170.812   2863.53   170.310   144.434 4.4153  145.973 4.3559  -1.539429      6.202322 
1 1 1 -8  15  8  o 43.539  1.8395  255.222   21.342    249.404   30.439    260.848   29.933    43.044  2.6531  44.033  2.5489  -0.9885788     3.679041 
1 1 1 -8  15  9  o 44.906  1.8666  271.565   22.333    264.155   31.928    278.663   31.250    44.299  2.7038  45.514  2.5740  -1.215210      3.733102 
1 1 1 -8  15  10 o 203.454 4.0085  5578.71   218.423   5500.37   309.049   5656.89   308.743   202.017 5.7115  204.891 5.6258  -2.873352      8.016927 
1 1 1 -8  15  11 o 189.468 3.8076  4835.87   193.224   4892.88   273.461   4779.03   273.061   190.589 5.3568  188.347 5.4127  2.241837       7.615280 
1 1 1 -8  15  12 o 194.755 3.8796  5113.21   202.336   5241.67   286.382   4985.17   285.913   197.212 5.4215  192.297 5.5510  4.915070       7.759289 
1 1 1 -8  15  13 o 106.905 2.5322  1535.30   72.504    1517.08   102.583   1553.49   102.488   106.269 3.6040  107.541 3.5581  -1.271950      5.064418 
1 1 1 -8  15  14 o 33.630  1.9222  152.731   17.156    159.887   24.440    145.780   24.087    34.416  2.6723  32.843  2.7638  1.572704       3.844435 
1 1 1 -8  15  15 o 113.557 2.5623  1734.33   77.931    1717.27   110.203   1751.40   110.220   112.996 3.6412  114.118 3.6059  -1.122139      5.124561 
1 1 1 -8  15  16 o 187.150 3.7316  4741.46   187.036   4653.26   264.321   4829.90   264.695   185.389 5.3230  188.910 5.2312  -3.520889      7.463258 
1 1 1 -8  15  17 o 53.929  1.9774  391.658   28.484    373.584   40.257    409.777   40.306    52.638  2.8661  55.220  2.7251  -2.581741      3.954883 
1 1 1 -8  15  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  15  19 o 76.520  2.1433  789.349   43.919    807.243   62.012    771.341   62.210    77.397  2.9913  75.644  3.0704  1.753242       4.286663 
1 1 1 -8  15  20 o 79.022  2.1943  843.299   46.413    803.945   65.390    883.254   65.888    77.151  3.1643  80.893  3.0409  -3.742096      4.388646 
1 1 1 -8  15  21 o 91.034  2.3559  1122.76   57.370    1051.03   80.710    1196.01   81.563    88.067  3.4216  94.002  3.2394  -5.935303      4.711789 
1 1 1 -8  15  22 o 80.915  2.2438  887.137   48.617    860.366   68.396    914.479   69.120    79.672  3.2051  82.158  3.1410  -2.486710      4.487563 
1 1 1 -8  15  23 o 77.802  2.1732  820.693   45.273    792.692   63.653    849.360   64.405    76.448  3.1086  79.156  3.0377  -2.707932      4.346400 
1 1 1 -8  15  24 o 51.770  2.0039  364.210   27.671    351.340   38.847    377.465   39.424    50.831  2.8649  52.709  2.8025  -1.878349      4.007761 
1 1 1 -8  15  25 o 33.091  2.0703  150.130   18.097    136.387   25.502    164.068   25.684    31.519  3.0594  34.662  2.7900  -3.143803      4.140512 
1 1 1 -8  15  26 o 27.976  2.1848  108.206   15.977    93.773    22.343    123.312   22.857    25.988  3.2829  29.963  2.8837  -3.974249      4.369599 
1 1 1 -8  15  27 o 28.391  2.5136  112.309   18.073    110.998   22.827    114.511   29.583    28.321  3.0577  28.461  3.9903  -0.1397705     5.027184 
1 1 1 -8  15  28 o 24.417  2.3442  83.861    14.887    89.383    20.869    78.139    21.243    25.304  3.1471  23.530  3.4753  1.774750       4.688451 
1 1 1 -8  15  29 o 26.866  2.2496  101.136   15.870    98.558    22.177    103.840   22.720    26.509  3.1872  27.223  3.1755  -0.7138462     4.499118 
1 1 1 -8  15  30 o 36.415  2.1924  186.153   20.894    152.377   29.179    221.697   29.933    32.855  3.3631  39.975  2.8135  -7.119896      4.384819 
1 1 1 -8  15  31 o 19.968  2.7100  60.066    13.847    81.323    19.499    38.437    19.668    23.954  3.1125  15.982  4.4371  7.972589       5.419976 
1 1 1 -8  15  32 o 12.154  2.9419  20.311    11.598    16.925    16.397    23.702    16.408    11.474  4.1513  12.834  4.1695  -1.360228      5.883747 
1 1 1 -8  15  33 o 10.829  2.8894  12.670    11.794    5.1256    16.541    20.473    16.822    9.4863  3.9442  12.172  4.2234  -2.685932      5.778753 
1 1 1 -8  15  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  15  35 o 16.683  2.8496  42.345    13.877    17.144    19.128    70.348    20.164    11.621  4.4290  21.746  3.5869  -10.12504      5.699268 
1 1 1 -8  16  1  o 22.192  2.4187  73.031    12.713    52.163    21.123    84.884    15.919    19.336  4.1988  25.049  2.4021  -5.713316      4.837373 
1 1 1 -8  16  2  o 79.806  2.1188  854.315   45.289    862.882   63.970    845.705   64.127    80.208  2.9776  79.404  3.0151  0.8038864      4.237607 
1 1 1 -8  16  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  16  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  16  5  o 151.107 3.1498  3069.42   127.479   3039.70   180.509   3098.99   180.056   150.374 4.4817  151.840 4.4272  -1.466354      6.299652 
1 1 1 -8  16  6  o 45.372  1.8742  276.963   22.675    280.081   32.341    273.949   31.801    45.623  2.6581  45.120  2.6429  0.5025215      3.748385 
1 1 1 -8  16  7  o 86.167  2.2218  996.278   51.276    994.527   72.795    998.003   72.238    86.091  3.1569  86.243  3.1272  -0.1518631     4.443547 
1 1 1 -8  16  8  o 80.175  2.1712  862.609   46.618    848.507   66.132    876.539   65.726    79.522  3.1048  80.828  3.0359  -1.306297      4.342432 
1 1 1 -8  16  9  o 41.729  1.9076  234.455   21.204    239.567   30.271    229.530   29.710    42.178  2.6936  41.280  2.7019  0.8975334      3.815203 
1 1 1 -8  16  10 o 89.511  2.2792  1075.36   54.643    1085.68   77.614    1065.21   76.944    89.937  3.2219  89.085  3.2246  0.8520584      4.558386 
1 1 1 -8  16  11 o 175.628 3.5603  4155.65   167.460   4082.75   236.958   4228.38   236.690   174.080 5.0820  177.177 4.9875  -3.097031      7.120535 
1 1 1 -8  16  12 o 82.816  2.1958  920.819   48.707    920.579   69.031    921.056   68.733    82.805  3.1125  82.827  3.0982  -0.2239227E-01 4.391585 
1 1 1 -8  16  13 f 162.262 3.3088  3549.76   143.784   3476.61   203.345   3622.90   203.338   160.579 4.7277  163.945 4.6305  -3.366028      6.617652 
1 1 1 -8  16  14 o 84.902  2.2100  968.755   50.257    976.207   71.181    961.346   70.967    85.229  3.1181  84.576  3.1327  0.6525803      4.419983 
1 1 1 -8  16  15 o 166.508 3.4196  3750.01   152.507   3786.40   215.694   3713.63   215.660   167.324 4.8127  165.693 4.8593  1.631241       6.839272 
1 1 1 -8  16  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  16  17 o 52.133  1.9547  366.729   27.185    380.920   38.620    352.792   38.272    53.141  2.7224  51.125  2.8056  2.016594       3.909323 
1 1 1 -8  16  18 o 70.929  2.0926  678.398   39.737    653.750   56.149    703.130   56.244    69.630  3.0106  72.228  2.9073  -2.598366      4.185225 
1 1 1 -8  16  19 o 138.218 3.0000  2600.96   111.023   2680.45   156.963   2521.38   157.057   140.367 4.1749  136.069 4.3093  4.298035       5.999969 
1 1 1 -8  16  20 o 34.185  1.9557  158.791   17.753    160.563   25.089    157.014   25.123    34.380  2.7475  33.989  2.7839  0.3905983      3.911402 
1 1 1 -8  16  21 o 10.193  2.5730  12.146    8.8758    12.678    12.408    11.588    12.702    10.285  3.6235  10.100  3.6538  0.1856136      5.145935 
1 1 1 -8  16  22 o 56.149  2.0102  427.927   30.132    428.664   42.475    427.180   42.754    56.201  2.8307  56.097  2.8548  0.1040306      4.020343 
1 1 1 -8  16  23 o 67.330  2.1279  616.374   38.301    658.962   54.115    573.626   54.217    69.696  2.8988  64.963  3.1159  4.733643       4.255816 
1 1 1 -8  16  24 o 29.841  2.1360  122.572   16.740    108.190   23.500    137.389   23.853    28.000  3.1903  31.682  2.8411  -3.681515      4.272017 
1 1 1 -8  16  25 o 12.985  2.7742  23.011    10.871    14.167    15.361    31.883    15.386    11.045  4.0148  14.924  3.8298  -3.878877      5.548457 
1 1 1 -8  16  26 o 11.214  2.7049  14.329    10.467    3.7171    14.587    25.591    15.027    8.9978  3.7194  13.430  3.9283  -4.432042      5.409783 
1 1 1 -8  16  27 o 11.285  2.8447  14.947    11.054    8.9993    15.203    21.617    16.100    9.9910  3.9108  12.580  4.1323  -2.588658      5.689483 
1 1 1 -8  16  28 o 22.296  2.4915  71.228    14.287    79.689    20.038    62.481    20.375    23.780  3.2295  20.812  3.7948  2.967606       4.983010 
1 1 1 -8  16  29 o 16.505  2.7390  40.525    12.425    58.400    17.598    22.759    17.544    20.192  3.3727  12.818  4.3166  7.374242       5.478002 
1 1 1 -8  16  30 o 8.3067  2.5332  -0.0975   10.285    1.9030    14.369    -2.1992   14.728    8.5419  3.6214  8.0715  3.5432  0.4704466      5.066453 
1 1 1 -8  16  31 o 26.586  2.4488  101.878   16.926    110.935   23.723    92.487    24.157    27.923  3.2316  25.250  3.6801  2.673288       4.897606 
1 1 1 -8  16  32 f 24.823  2.6359  90.297    16.615    68.663    23.026    113.795   23.998    21.408  4.1656  28.238  3.2310  -6.829836      5.271803 
1 1 1 -8  16  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  16  34 o 10.592  2.8761  12.289    11.783    5.0796    16.546    19.707    16.783    9.3473  3.9201  11.836  4.2095  -2.488608      5.752153 
1 1 1 -8  17  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  17  2  o 123.572 3.8036  2050.67   125.894   0.0000    0.0000    2050.67   125.894   ?       ?       123.572 3.8036  ?              ?        
1 1 1 -8  17  3  o 110.804 3.6218  1648.44   107.489   0.0000    0.0000    1648.44   107.489   ?       ?       110.804 3.6218  ?              ?        
1 1 1 -8  17  4  o 76.942  2.1288  795.517   43.771    733.582   61.929    857.346   61.876    73.939  3.1270  79.945  2.8896  -6.005501      4.257699 
1 1 1 -8  17  5  o 150.768 3.1449  3057.10   126.956   2967.94   179.744   3145.86   179.341   148.564 4.5170  152.971 4.3770  -4.407181      6.289829 
1 1 1 -8  17  6  f 97.331  2.3849  1271.55   62.172    1288.27   88.242    1255.07   87.611    97.967  3.3629  96.695  3.3827  1.271759       4.769872 
1 1 1 -8  17  7  f 45.314  1.9380  276.454   23.384    293.983   33.310    259.421   32.835    46.742  2.6717  43.887  2.8080  2.854740       3.875909 
1 1 1 -8  17  8  o 79.025  2.1668  838.000   45.862    851.133   65.101    825.062   64.617    79.640  3.0519  78.409  3.0768  1.230499       4.333650 
1 1 1 -8  17  9  o 89.231  2.2885  1069.10   54.687    1051.71   77.573    1086.28   77.108    88.507  3.2722  89.955  3.2003  -1.447716      4.577015 
1 1 1 -8  17  10 o 32.442  1.9573  142.210   16.842    146.107   24.054    138.461   23.588    32.883  2.7565  32.002  2.7795  0.8805809      3.914575 
1 1 1 -8  17  11 o 149.175 3.1294  2997.32   125.032   3044.10   177.170   2950.91   176.476   150.339 4.3998  148.010 4.4515  2.328979       6.258871 
1 1 1 -8  17  12 f 234.359 4.6116  7463.12   289.484   7482.17   409.623   7444.12   409.163   234.660 6.5171  234.058 6.5265  0.6022949      9.223268 
1 1 1 -8  17  13 o 154.834 3.2596  3238.26   135.172   3193.80   191.238   3282.66   191.087   153.762 4.6434  155.906 4.5759  -2.143738      6.519218 
1 1 1 -8  17  14 o 58.162  1.9717  454.816   30.709    446.976   43.631    462.513   43.229    57.662  2.8250  58.661  2.7513  -0.9993591     3.943354 
1 1 1 -8  17  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  17  16 o 96.899  2.4454  1267.80   63.463    1289.49   89.866    1246.23   89.635    97.731  3.4330  96.066  3.4835  1.664536       4.890833 
1 1 1 -8  17  17 o 36.034  1.9280  176.045   18.444    164.980   25.991    187.269   26.176    34.874  2.8062  37.194  2.6447  -2.320080      3.856085 
1 1 1 -8  17  18 o 30.392  1.9990  125.730   16.074    120.194   22.635    131.363   22.831    29.701  2.8815  31.082  2.7714  -1.380470      3.997984 
1 1 1 -8  17  19 o 51.592  1.9837  360.799   27.298    350.816   38.716    370.669   38.494    50.870  2.8530  52.314  2.7569  -1.444500      3.967405 
1 1 1 -8  17  20 o 52.372  2.0067  372.149   28.045    373.210   39.697    371.093   39.626    52.447  2.8363  52.297  2.8395  0.1502380      4.013442 
1 1 1 -8  17  21 o 25.069  2.2012  87.057    14.273    101.824   20.281    72.564    20.092    27.281  2.8160  22.858  3.3839  4.422752       4.402347 
1 1 1 -8  17  22 o 40.383  2.0003  222.268   21.492    228.961   30.454    215.627   30.337    41.001  2.7896  39.765  2.8675  1.236069       4.000508 
1 1 1 -8  17  23 o 41.032  2.0337  230.208   22.154    211.587   31.208    249.125   31.456    39.318  2.9856  42.745  2.7622  -3.426517      4.067357 
1 1 1 -8  17  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  17  25 o 43.820  2.0614  263.817   24.047    272.678   34.070    255.020   33.947    44.574  2.8689  43.066  2.9609  1.507244       4.122776 
1 1 1 -8  17  26 o 54.692  2.1125  412.682   30.793    434.203   43.516    391.099   43.579    56.169  2.9024  53.216  3.0704  2.953693       4.225065 
1 1 1 -8  17  27 o 38.924  2.1200  210.409   21.866    190.888   30.573    230.851   31.286    37.012  3.1128  40.836  2.8788  -3.823612      4.239982 
1 1 1 -8  17  28 o 16.986  2.8203  42.619    12.625    39.329    17.759    45.981    17.953    16.288  4.0794  17.683  3.8955  -1.394636      5.640616 
1 1 1 -8  17  29 o 14.015  2.8374  28.508    11.742    17.048    16.513    40.229    16.700    11.545  4.1677  16.485  3.8515  -4.940738      5.674792 
1 1 1 -8  17  30 o 16.572  2.9325  41.266    13.072    34.648    18.324    48.123    18.652    15.174  4.3078  17.970  3.9801  -2.796212      5.865037 
1 1 1 -8  17  31 o 28.812  2.4599  119.748   18.554    126.451   26.066    112.864   26.418    29.721  3.3316  27.903  3.6201  1.818710       4.919791 
1 1 1 -8  17  32 o 23.693  3.9588  83.759    24.236    83.759    24.236    0.0000    0.0000    23.693  3.9588  ?       ?       ?              ?        
1 1 1 -8  17  33 o 13.893  2.9557  28.216    13.216    10.261    18.638    46.375    18.744    10.480  4.2532  17.306  4.1056  -6.826329      5.911491 
1 1 1 -8  18  1  o 141.403 4.2132  2687.48   159.572   0.0000    0.0000    2687.48   159.572   ?       ?       141.403 4.2132  ?              ?        
1 1 1 -8  18  2  o 135.086 4.1199  2452.40   149.069   0.0000    0.0000    2452.40   149.069   ?       ?       135.086 4.1199  ?              ?        
1 1 1 -8  18  3  o 91.088  3.2623  1113.60   79.593    0.0000    0.0000    1113.60   79.593    ?       ?       91.088  3.2623  ?              ?        
1 1 1 -8  18  4  o 117.328 3.7944  1849.14   119.242   0.0000    0.0000    1849.14   119.242   ?       ?       117.328 3.7944  ?              ?        
1 1 1 -8  18  5  o 192.845 5.4578  5012.34   281.913   0.0000    0.0000    5012.34   281.913   ?       ?       192.845 5.4578  ?              ?        
1 1 1 -8  18  6  o 155.596 4.5929  3257.68   191.415   0.0000    0.0000    3257.68   191.415   ?       ?       155.596 4.5929  ?              ?        
1 1 1 -8  18  7  o 69.464  2.0784  649.387   38.538    592.152   54.794    705.418   54.214    66.419  3.0800  72.508  2.7915  -6.089203      4.156748 
1 1 1 -8  18  8  f 135.853 2.9914  2484.99   108.747   2363.58   153.944   2605.93   153.640   132.522 4.3370  139.183 4.1212  -6.661316      5.982810 
1 1 1 -8  18  9  o 21.409  2.2817  62.935    12.617    71.167    18.143    55.224    17.558    22.821  3.0440  19.997  3.3998  2.823725       4.563370 
1 1 1 -8  18  10 o 149.083 3.1562  2996.72   126.021   3048.13   178.670   2945.82   177.775   150.362 4.4363  147.805 4.4905  2.557068       6.312333 
1 1 1 -8  18  11 o 118.500 2.7148  1892.57   86.107    1816.11   122.006   1968.45   121.543   116.099 3.9234  120.901 3.7533  -4.802406      5.429578 
1 1 1 -8  18  12 o 38.050  1.9580  195.722   19.802    187.547   28.073    203.818   27.937    37.246  2.8353  38.853  2.7013  -1.607056      3.916060 
1 1 1 -8  18  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  18  14 o 99.225  2.4540  1328.92   65.200    1371.64   92.460    1286.66   91.955    100.822 3.4238  97.628  3.5165  3.193336       4.907958 
1 1 1 -8  18  15 o 42.204  1.9191  240.967   21.568    234.943   30.664    246.866   30.343    41.672  2.7629  42.736  2.6641  -1.063744      3.838120 
1 1 1 -8  18  16 o 81.085  2.2378  888.817   48.557    936.795   68.946    841.600   68.396    83.274  3.0911  78.897  3.2366  4.377182       4.475517 
1 1 1 -8  18  17 o 46.184  1.9551  288.976   24.074    289.149   34.156    288.806   33.937    46.196  2.7732  46.172  2.7567  0.2457047E-01  3.910266 
1 1 1 -8  18  18 o 14.792  2.5592  30.845    10.065    33.921    14.535    28.011    13.952    15.494  3.5750  14.089  3.6629  1.404431       5.118387 
1 1 1 -8  18  19 o 17.894  2.4508  44.954    11.319    47.648    16.225    42.400    15.798    18.439  3.4109  17.349  3.5201  1.089771       4.901574 
1 1 1 -8  18  20 o 9.6696  2.4231  7.9420    8.9697    -5.0698   12.911    20.081    12.471    7.2889  3.2523  12.050  3.5928  -4.761323      4.846179 
1 1 1 -8  18  21 o 70.571  2.1846  677.730   41.283    697.908   58.568    657.806   58.200    71.629  3.0527  69.514  3.1258  2.114319       4.369159 
1 1 1 -8  18  22 o 38.867  2.0361  206.727   20.987    188.249   29.424    225.860   29.942    37.057  2.9899  40.676  2.7646  -3.618710      4.072144 
1 1 1 -8  18  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  18  24 o 56.907  2.1335  445.534   32.370    468.699   45.850    422.514   45.706    58.424  2.9393  55.390  3.0930  3.034023       4.266925 
1 1 1 -8  18  25 o 31.296  2.2319  136.569   18.426    143.799   26.010    129.285   26.106    32.173  3.0549  30.418  3.2547  1.754913       4.463807 
1 1 1 -8  18  26 o 20.147  2.6684  58.802    13.854    52.941    19.472    64.811    19.715    19.040  3.9477  21.253  3.5912  -2.213099      5.336781 
1 1 1 -8  18  27 o 9.4782  2.6579  5.8307    10.407    14.694    15.333    -1.7398   14.171    10.964  4.0071  7.9925  3.4929  2.971356       5.315727 
1 1 1 -8  18  28 f 19.466  2.8385  56.376    14.326    68.031    20.417    45.073    20.106    21.642  3.6522  17.291  4.3463  4.350767       5.677005 
1 1 1 -8  18  29 o 19.978  2.8522  59.369    14.736    58.514    20.856    60.221    20.825    19.816  4.0656  20.140  4.0015  -0.3237686     5.704494 
1 1 1 -8  18  30 o 10.579  2.8452  9.0956    12.111    -4.1849   16.769    23.575    17.510    8.3306  3.7125  12.828  4.3124  -4.497083      5.690335 
1 1 1 -8  18  31 o 17.064  3.1279  44.877    14.778    31.908    20.490    58.935    21.333    14.459  4.6558  19.668  4.1784  -5.208325      6.255839 
1 1 1 -8  18  32 o 29.067  3.7076  133.589   23.795    143.994   48.708    130.327   27.270    28.363  6.5447  29.770  3.4859  -1.407909      7.415115 
1 1 1 -8  19  1  o 59.172  2.7890  469.698   44.202    469.698   44.202    0.0000    0.0000    59.172  2.7890  ?       ?       ?              ?        
1 1 1 -8  19  2  o 89.484  3.2403  1074.85   77.664    0.0000    0.0000    1074.85   77.664    ?       ?       89.484  3.2403  ?              ?        
1 1 1 -8  19  3  o 153.778 4.5810  3182.09   188.687   0.0000    0.0000    3182.09   188.687   ?       ?       153.778 4.5810  ?              ?        
1 1 1 -8  19  4  o 72.033  2.9504  696.333   56.924    0.0000    0.0000    696.333   56.924    ?       ?       72.033  2.9504  ?              ?        
1 1 1 -8  19  5  o 257.802 7.0588  9013.13   487.421   0.0000    0.0000    9013.13   487.421   ?       ?       257.802 7.0588  ?              ?        
1 1 1 -8  19  6  o 110.875 3.6412  1652.36   108.135   0.0000    0.0000    1652.36   108.135   ?       ?       110.875 3.6412  ?              ?        
1 1 1 -8  19  7  o 84.665  3.1541  962.928   71.527    0.0000    0.0000    962.928   71.527    ?       ?       84.665  3.1541  ?              ?        
1 1 1 -8  19  8  o 70.380  2.9427  665.380   55.473    0.0000    0.0000    665.380   55.473    ?       ?       70.380  2.9427  ?              ?        
1 1 1 -8  19  9  o 137.790 4.1979  2560.62   154.930   0.0000    0.0000    2560.62   154.930   ?       ?       137.790 4.1979  ?              ?        
1 1 1 -8  19  10 o 75.121  3.0765  759.052   61.902    0.0000    0.0000    759.052   61.902    ?       ?       75.121  3.0765  ?              ?        
1 1 1 -8  19  11 o 104.480 5.2926  1487.44   147.630   0.0000    0.0000    1487.44   147.630   ?       ?       104.480 5.2926  ?              ?        
1 1 1 -8  19  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  19  13 o 75.436  2.1953  767.687   44.348    760.154   63.156    775.014   62.287    75.065  3.1411  75.808  3.0676  -0.7428894     4.390533 
1 1 1 -8  19  14 o 84.306  2.3019  961.237   51.944    925.083   73.696    996.931   73.226    82.713  3.3265  85.900  3.1826  -3.186714      4.603744 
1 1 1 -8  19  15 o 77.650  2.2241  815.763   46.248    800.939   65.640    830.377   65.172    76.940  3.1851  78.361  3.1051  -1.420959      4.448190 
1 1 1 -8  19  16 o 72.744  2.1445  716.414   41.770    698.962   59.286    733.616   58.861    71.852  3.0806  73.636  2.9843  -1.784111      4.289072 
1 1 1 -8  19  17 o 26.233  2.1273  94.708    14.606    86.071    20.790    103.125   20.524    24.998  3.1767  27.468  2.8302  -2.469999      4.254581 
1 1 1 -8  19  18 f 21.151  2.3142  62.130    12.670    66.693    18.172    57.813    17.674    21.941  3.1852  20.360  3.3580  1.580900       4.628411 
1 1 1 -8  19  19 o 40.020  2.0183  218.449   21.477    212.704   30.664    223.981   30.090    39.484  2.9202  40.555  2.7869  -1.071182      4.036647 
1 1 1 -8  19  20 o 15.001  2.7489  32.003    11.160    35.670    16.056    28.575    15.523    15.806  3.8322  14.195  3.9422  1.611387       5.497871 
1 1 1 -8  19  21 f 8.1572  2.3879  2.2886    8.6528    -1.9768   12.687    5.9979    11.831    7.6130  3.3166  8.7015  3.4363  -1.088433      4.775723 
1 1 1 -8  19  22 o 34.270  5.2933  170.919   47.023    170.919   47.023    0.0000    0.0000    34.270  5.2933  ?       ?       ?              ?        
1 1 1 -8  19  23 o 26.816  2.3154  100.577   16.225    110.244   23.139    91.225    22.758    28.152  3.1212  25.481  3.4209  2.670858       4.630840 
1 1 1 -8  19  24 o 50.422  2.1340  351.860   28.675    341.167   40.638    362.462   40.467    49.627  3.0723  51.217  2.9625  -1.589714      4.267940 
1 1 1 -8  19  25 o 14.185  2.7274  28.720    11.896    9.6615    17.074    46.700    16.584    10.407  4.1222  17.963  3.5725  -7.555718      5.454850 
1 1 1 -8  19  26 o 31.730  3.2336  142.122   27.098    0.0000    0.0000    142.122   27.098    ?       ?       31.730  3.2336  ?              ?        
1 1 1 -8  19  27 o 22.657  3.7119  74.675    21.746    0.0000    0.0000    74.675    21.746    ?       ?       22.657  3.7119  ?              ?        
1 1 1 -8  19  28 o 30.073  3.3947  129.331   26.865    0.0000    0.0000    129.331   26.865    ?       ?       30.073  3.3947  ?              ?        
1 1 1 -8  19  29 o 7.9963  3.5743  -4.5157   15.669    0.0000    0.0000    -4.5157   15.669    ?       ?       7.9963  3.5743  ?              ?        
1 1 1 -8  19  30 o 13.330  4.4103  26.446    18.327    0.0000    0.0000    26.446    18.327    ?       ?       13.330  4.4103  ?              ?        
1 1 1 -8  19  31 o 21.312  4.0475  69.723    22.260    0.0000    0.0000    69.723    22.260    ?       ?       21.312  4.0475  ?              ?        
1 1 1 -8  20  1  o 215.941 6.0357  6301.06   349.102   6301.06   349.102   0.0000    0.0000    215.941 6.0357  ?       ?       ?              ?        
1 1 1 -8  20  2  o 56.950  2.7712  435.218   42.271    435.218   42.271    0.0000    0.0000    56.950  2.7712  ?       ?       ?              ?        
1 1 1 -8  20  3  o 39.637  2.7166  211.818   28.667    211.818   28.667    0.0000    0.0000    39.637  2.7166  ?       ?       ?              ?        
1 1 1 -8  20  4  o 43.947  2.7711  260.268   32.452    260.268   32.452    0.0000    0.0000    43.947  2.7711  ?       ?       ?              ?        
1 1 1 -8  20  5  o 50.003  3.7832  338.335   50.294    0.0000    0.0000    338.335   50.294    ?       ?       50.003  3.7832  ?              ?        
1 1 1 -8  20  6  o 150.220 4.5078  3045.02   181.375   0.0000    0.0000    3045.02   181.375   ?       ?       150.220 4.5078  ?              ?        
1 1 1 -8  20  7  o 161.648 4.7483  3532.51   205.587   0.0000    0.0000    3532.51   205.587   ?       ?       161.648 4.7483  ?              ?        
1 1 1 -8  20  8  o 42.578  2.8048  244.741   31.808    0.0000    0.0000    244.741   31.808    ?       ?       42.578  2.8048  ?              ?        
1 1 1 -8  20  9  o 64.831  2.9158  565.504   50.632    0.0000    0.0000    565.504   50.632    ?       ?       64.831  2.9158  ?              ?        
1 1 1 -8  20  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  20  11 o 16.203  3.5769  36.861    15.108    0.0000    0.0000    36.861    15.108    ?       ?       16.203  3.5769  ?              ?        
1 1 1 -8  20  12 o 14.626  3.6083  30.107    14.048    0.0000    0.0000    30.107    14.048    ?       ?       14.626  3.6083  ?              ?        
1 1 1 -8  20  13 o 35.142  2.7941  167.694   26.083    0.0000    0.0000    167.694   26.083    ?       ?       35.142  2.7941  ?              ?        
1 1 1 -8  20  14 o 51.705  2.8174  362.268   38.872    0.0000    0.0000    362.268   38.872    ?       ?       51.705  2.8174  ?              ?        
1 1 1 -8  20  15 o 85.790  3.2570  998.734   74.841    0.0000    0.0000    998.734   74.841    ?       ?       85.790  3.2570  ?              ?        
1 1 1 -8  20  16 o 107.797 3.6823  1585.11   106.319   0.0000    0.0000    1585.11   106.319   ?       ?       107.797 3.6823  ?              ?        
1 1 1 -8  20  17 o 35.475  2.8348  171.631   26.711    0.0000    0.0000    171.631   26.711    ?       ?       35.475  2.8348  ?              ?        
1 1 1 -8  20  18 o 58.661  2.9205  467.518   45.888    0.0000    0.0000    467.518   45.888    ?       ?       58.661  2.9205  ?              ?        
1 1 1 -8  20  19 o 23.262  3.2330  75.248    19.599    0.0000    0.0000    75.248    19.599    ?       ?       23.262  3.2330  ?              ?        
1 1 1 -8  20  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  20  21 o 27.488  3.1345  104.981   22.666    0.0000    0.0000    104.981   22.666    ?       ?       27.488  3.1345  ?              ?        
1 1 1 -8  20  22 o 24.834  3.4057  86.855    22.057    0.0000    0.0000    86.855    22.057    ?       ?       24.834  3.4057  ?              ?        
1 1 1 -8  20  23 o 9.8673  3.8855  8.6725    15.087    0.0000    0.0000    8.6725    15.087    ?       ?       9.8673  3.8855  ?              ?        
1 1 1 -8  20  24 o 20.753  3.6970  62.338    19.797    0.0000    0.0000    62.338    19.797    ?       ?       20.753  3.6970  ?              ?        
1 1 1 -8  20  25 o 18.312  4.1818  50.040    20.061    0.0000    0.0000    50.040    20.061    ?       ?       18.312  4.1818  ?              ?        
1 1 1 -8  20  26 o 22.815  3.7375  75.857    22.048    0.0000    0.0000    75.857    22.048    ?       ?       22.815  3.7375  ?              ?        
1 1 1 -8  20  27 o 16.758  4.3636  42.677    19.780    0.0000    0.0000    42.677    19.780    ?       ?       16.758  4.3636  ?              ?        
1 1 1 -8  20  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  20  29 o 15.606  4.5875  38.135    20.448    0.0000    0.0000    38.135    20.448    ?       ?       15.606  4.5875  ?              ?        
1 1 1 -8  21  1  o 48.920  2.6687  322.167   34.837    322.167   34.837    0.0000    0.0000    48.920  2.6687  ?       ?       ?              ?        
1 1 1 -8  21  2  o 84.090  3.1522  950.190   70.998    950.190   70.998    0.0000    0.0000    84.090  3.1522  ?       ?       ?              ?        
1 1 1 -8  21  3  o 70.451  2.9875  666.922   56.374    666.922   56.374    0.0000    0.0000    70.451  2.9875  ?       ?       ?              ?        
1 1 1 -8  21  4  o 90.552  3.2936  1103.02   79.882    1103.02   79.882    0.0000    0.0000    90.552  3.2936  ?       ?       ?              ?        
1 1 1 -8  21  5  o 51.717  2.8110  360.535   38.793    360.535   38.793    0.0000    0.0000    51.717  2.8110  ?       ?       ?              ?        
1 1 1 -8  21  6  o 160.558 4.7570  3492.24   204.576   3492.24   204.576   0.0000    0.0000    160.558 4.7570  ?       ?       ?              ?        
1 1 1 -8  21  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  21  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  21  9  o 60.149  2.9109  487.647   46.897    487.647   46.897    0.0000    0.0000    60.149  2.9109  ?       ?       ?              ?        
1 1 1 -8  21  10 o 54.905  3.8433  410.837   56.164    0.0000    0.0000    410.837   56.164    ?       ?       54.905  3.8433  ?              ?        
1 1 1 -8  21  11 o 39.561  3.6860  214.191   38.608    0.0000    0.0000    214.191   38.608    ?       ?       39.561  3.6860  ?              ?        
1 1 1 -8  21  12 o 94.468  3.4114  1210.75   86.319    0.0000    0.0000    1210.75   86.319    ?       ?       94.468  3.4114  ?              ?        
1 1 1 -8  21  13 o 57.913  2.9126  455.011   45.037    0.0000    0.0000    455.011   45.037    ?       ?       57.913  2.9126  ?              ?        
1 1 1 -8  21  14 o 33.311  2.9205  151.426   25.794    0.0000    0.0000    151.426   25.794    ?       ?       33.311  2.9205  ?              ?        
1 1 1 -8  21  15 o 90.200  3.3675  1107.90   81.359    0.0000    0.0000    1107.90   81.359    ?       ?       90.200  3.3675  ?              ?        
1 1 1 -8  21  16 o 13.109  3.9473  23.857    14.998    0.0000    0.0000    23.857    14.998    ?       ?       13.109  3.9473  ?              ?        
1 1 1 -8  21  17 o 15.296  3.7938  33.402    15.467    0.0000    0.0000    33.402    15.467    ?       ?       15.296  3.7938  ?              ?        
1 1 1 -8  21  18 o 39.990  2.9317  219.152   31.183    0.0000    0.0000    219.152   31.183    ?       ?       39.990  2.9317  ?              ?        
1 1 1 -8  21  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  21  20 o 43.100  2.9699  256.006   34.077    0.0000    0.0000    256.006   34.077    ?       ?       43.100  2.9699  ?              ?        
1 1 1 -8  21  21 o 23.909  3.5381  81.117    21.974    0.0000    0.0000    81.117    21.974    ?       ?       23.909  3.5381  ?              ?        
1 1 1 -8  21  22 o 38.586  3.1184  207.767   31.954    0.0000    0.0000    207.767   31.954    ?       ?       38.586  3.1184  ?              ?        
1 1 1 -8  21  23 o 23.536  4.3811  82.117    26.602    0.0000    0.0000    82.117    26.602    ?       ?       23.536  4.3811  ?              ?        
1 1 1 -8  21  24 o 9.0000  3.9158  -0.7697   17.638    0.0000    0.0000    -0.7697   17.638    ?       ?       9.0000  3.9158  ?              ?        
1 1 1 -8  21  25 o 46.536  4.2110  316.821   51.920    316.821   51.920    0.0000    0.0000    46.536  4.2110  ?       ?       ?              ?        
1 1 1 -8  21  26 o 17.059  4.5305  44.634    21.050    44.634    21.050    0.0000    0.0000    17.059  4.5305  ?       ?       ?              ?        
1 1 1 -8  21  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  21  28 o 15.836  4.4319  39.315    19.540    39.315    19.540    0.0000    0.0000    15.836  4.4319  ?       ?       ?              ?        
1 1 1 -8  22  1  o 87.436  2.2665  1029.36   53.029    1072.26   74.554    985.441   75.442    89.292  3.1172  85.581  3.2912  3.711716       4.533087 
1 1 1 -8  22  2  o 127.434 2.8760  2193.02   98.094    2278.06   138.281   2106.87   139.174   129.945 3.9730  124.923 4.1594  5.021736       5.751944 
1 1 1 -8  22  3  o 86.479  2.9550  1022.21   62.896    1038.86   75.885    985.678   112.417   87.840  3.2253  85.119  4.9522  2.721909       5.909936 
1 1 1 -8  22  4  f 52.760  2.7643  375.417   38.928    375.417   38.928    0.0000    0.0000    52.760  2.7643  ?       ?       ?              ?        
1 1 1 -8  22  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  22  6  o 22.055  3.1528  66.906    18.095    66.906    18.095    0.0000    0.0000    22.055  3.1528  ?       ?       ?              ?        
1 1 1 -8  22  7  o 73.382  3.0509  726.605   59.966    726.605   59.966    0.0000    0.0000    73.382  3.0509  ?       ?       ?              ?        
1 1 1 -8  22  8  o 48.737  2.8304  321.499   36.790    321.499   36.790    0.0000    0.0000    48.737  2.8304  ?       ?       ?              ?        
1 1 1 -8  22  9  o 41.446  2.8048  232.945   30.954    232.945   30.954    0.0000    0.0000    41.446  2.8048  ?       ?       ?              ?        
1 1 1 -8  22  10 o 32.213  2.9444  141.484   25.125    141.484   25.125    0.0000    0.0000    32.213  2.9444  ?       ?       ?              ?        
1 1 1 -8  22  11 o 81.760  3.2614  907.205   71.423    907.205   71.423    0.0000    0.0000    81.760  3.2614  ?       ?       ?              ?        
1 1 1 -8  22  12 o 47.480  2.8731  306.379   36.367    306.379   36.367    0.0000    0.0000    47.480  2.8731  ?       ?       ?              ?        
1 1 1 -8  22  13 o 75.544  3.2249  776.033   65.254    776.033   65.254    0.0000    0.0000    75.544  3.2249  ?       ?       ?              ?        
1 1 1 -8  22  14 o 51.411  2.9270  360.001   40.138    360.001   40.138    0.0000    0.0000    51.411  2.9270  ?       ?       ?              ?        
1 1 1 -8  22  15 o 30.601  3.0814  128.781   24.914    128.781   24.914    0.0000    0.0000    30.601  3.0814  ?       ?       ?              ?        
1 1 1 -8  22  16 o 91.715  3.5038  1154.72   86.074    1154.72   86.074    0.0000    0.0000    91.715  3.5038  ?       ?       ?              ?        
1 1 1 -8  22  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  22  18 o 20.794  3.6504  61.523    19.590    61.523    19.590    0.0000    0.0000    20.794  3.6504  ?       ?       ?              ?        
1 1 1 -8  22  19 o 23.105  3.6057  75.854    21.586    75.854    21.586    0.0000    0.0000    23.105  3.6057  ?       ?       ?              ?        
1 1 1 -8  22  20 o 26.754  3.3057  100.825   23.185    100.825   23.185    0.0000    0.0000    26.754  3.3057  ?       ?       ?              ?        
1 1 1 -8  22  21 f 33.992  3.1609  162.090   28.450    162.090   28.450    0.0000    0.0000    33.992  3.1609  ?       ?       ?              ?        
1 1 1 -8  22  22 o 6.1699  2.9518  -17.8635  13.824    -17.8635  13.824    0.0000    0.0000    6.1699  2.9518  ?       ?       ?              ?        
1 1 1 -8  22  23 o 18.689  4.2771  52.522    20.947    52.522    20.947    0.0000    0.0000    18.689  4.2771  ?       ?       ?              ?        
1 1 1 -8  22  24 o 19.670  4.1296  57.881    21.064    57.881    21.064    0.0000    0.0000    19.670  4.1296  ?       ?       ?              ?        
1 1 1 -8  22  25 o 11.479  4.3572  15.716    18.466    15.716    18.466    0.0000    0.0000    11.479  4.3572  ?       ?       ?              ?        
1 1 1 -8  22  26 o 15.530  4.6477  37.534    20.840    37.534    20.840    0.0000    0.0000    15.530  4.6477  ?       ?       ?              ?        
1 1 1 -8  22  27 o 27.024  3.6383  108.375   25.666    108.375   25.666    0.0000    0.0000    27.024  3.6383  ?       ?       ?              ?        
1 1 1 -8  23  1  o 86.847  2.2707  1016.65   52.805    1035.81   74.239    997.041   75.123    87.684  3.1610  86.011  3.2609  1.672890       4.541491 
1 1 1 -8  23  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  23  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  23  4  f 16.754  2.4799  39.254    10.774    44.477    15.582    34.470    14.913    17.855  3.3820  15.653  3.6278  2.201887       4.959717 
1 1 1 -8  23  5  o 70.698  2.1245  674.701   40.227    663.339   56.683    686.229   57.099    70.095  3.0191  71.300  2.9898  -1.204636      4.249007 
1 1 1 -8  23  6  o 34.641  1.9996  163.837   18.154    134.194   25.424    194.671   25.930    31.364  3.0655  37.918  2.5682  -6.553249      3.999149 
1 1 1 -8  23  7  o 101.677 2.5350  1403.91   69.036    1408.19   97.607    1399.62   97.657    101.834 3.5785  101.519 3.5914  0.3153229      5.069911 
1 1 1 -8  23  8  o 43.752  2.6328  263.684   27.674    265.589   32.955    259.129   50.965    44.240  2.7955  43.263  4.4622  0.9777107      5.265534 
1 1 1 -8  23  9  o 33.009  2.6377  147.406   21.040    143.014   25.089    157.814   38.623    32.371  2.9252  33.648  4.3901  -1.276119      5.275392 
1 1 1 -8  23  10 o 17.347  3.2302  36.844    13.840    29.183    16.023    59.354    27.465    14.389  4.0084  20.304  5.0666  -5.915451      6.460470 
1 1 1 -8  23  11 o 37.847  2.9082  195.362   29.255    195.362   29.255    0.0000    0.0000    37.847  2.9082  ?       ?       ?              ?        
1 1 1 -8  23  12 o 33.533  3.0031  153.981   26.687    153.981   26.687    0.0000    0.0000    33.533  3.0031  ?       ?       ?              ?        
1 1 1 -8  23  13 o 40.164  2.9638  220.605   31.659    220.605   31.659    0.0000    0.0000    40.164  2.9638  ?       ?       ?              ?        
1 1 1 -8  23  14 o 16.652  3.9506  39.773    17.354    39.773    17.354    0.0000    0.0000    16.652  3.9506  ?       ?       ?              ?        
1 1 1 -8  23  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  23  16 o 45.268  3.0207  282.064   36.416    282.064   36.416    0.0000    0.0000    45.268  3.0207  ?       ?       ?              ?        
1 1 1 -8  23  17 o 51.452  3.1204  365.893   42.800    365.893   42.800    0.0000    0.0000    51.452  3.1204  ?       ?       ?              ?        
1 1 1 -8  23  18 o 52.071  3.0998  375.981   43.037    375.981   43.037    0.0000    0.0000    52.071  3.0998  ?       ?       ?              ?        
1 1 1 -8  23  19 o 12.032  4.2071  19.082    16.707    19.082    16.707    0.0000    0.0000    12.032  4.2071  ?       ?       ?              ?        
1 1 1 -8  23  20 o 43.567  3.3418  283.658   32.667    287.958   37.947    271.350   64.197    45.332  3.1447  41.802  5.8975  3.530045       6.683575 
1 1 1 -8  23  21 o 11.014  3.3469  -1.0029   14.249    -6.2389   15.827    21.403    32.740    7.8870  3.5534  14.142  5.6728  -6.254604      6.693851 
1 1 1 -8  23  22 o 12.350  3.4809  14.557    14.853    12.940    16.766    20.455    32.020    10.805  4.1397  13.896  5.5974  -3.090802      6.961867 
1 1 1 -8  23  23 f 17.767  3.1693  48.443    15.143    53.737    21.150    42.876    21.690    18.840  4.2877  16.695  4.6684  2.144802       6.338626 
1 1 1 -8  23  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  23  25 o 14.835  3.2082  33.664    14.464    22.165    20.360    45.380    20.551    12.643  4.6180  17.028  4.4548  -4.384819      6.416443 
1 1 1 -8  24  1  o 13.087  2.5754  23.449    9.4204    29.122    13.967    18.714    12.760    14.390  3.6254  11.784  3.6589  2.605827       5.150854 
1 1 1 -8  24  2  o 14.101  2.4765  27.891    10.054    43.508    14.149    11.962    14.290    17.694  3.0984  10.509  3.8642  7.185849       4.952949 
1 1 1 -8  24  3  o 71.693  2.1407  694.619   41.106    686.828   57.861    702.559   58.409    71.287  3.0303  72.100  3.0245  -0.8130264     4.281412 
1 1 1 -8  24  4  o 98.046  2.4597  1304.61   64.555    1247.88   90.999    1362.09   91.594    95.876  3.5436  100.216 3.4122  -4.340584      4.919365 
1 1 1 -8  24  5  o 20.128  2.3853  56.426    12.404    55.572    17.569    57.275    17.515    19.966  3.4076  20.291  3.3388  -0.3252964     4.770658 
1 1 1 -8  24  6  o 65.543  2.1050  581.906   36.938    559.904   52.093    604.155   52.385    64.285  3.0254  66.801  2.9277  -2.516457      4.210080 
1 1 1 -8  24  7  o 37.822  1.9929  194.967   19.945    218.302   28.451    172.418   27.968    40.094  2.6644  35.549  2.9643  4.544868       3.985729 
1 1 1 -8  24  8  o 41.551  2.0297  235.053   22.448    239.726   31.820    230.423   31.673    41.969  2.8475  41.133  2.8933  0.8366127      4.059470 
1 1 1 -8  24  9  o 33.240  2.0790  151.192   18.298    143.906   25.920    158.431   25.835    32.417  3.0199  34.064  2.8580  -1.646954      4.157904 
1 1 1 -8  24  10 o 61.396  2.1386  512.593   35.169    516.544   49.842    508.676   49.630    61.633  3.0192  61.159  3.0297  0.4744186      4.277228 
1 1 1 -8  24  11 o 34.876  2.1119  166.694   19.536    170.399   27.836    163.097   27.425    35.264  2.9748  34.489  2.9987  0.7754326      4.223897 
1 1 1 -8  24  12 o 10.211  2.5113  7.4845    9.9793    -8.9180   13.892    24.971    14.344    7.1255  3.2569  13.296  3.8234  -6.170427      5.022557 
1 1 1 -8  24  13 o 34.281  2.1501  161.780   19.531    166.844   28.058    157.020   27.203    34.805  3.0402  33.757  3.0412  1.048027       4.300179 
1 1 1 -8  24  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  24  15 o 28.749  2.3290  115.531   17.603    114.021   25.113    116.989   24.683    28.542  3.3485  28.955  3.2380  -0.4130383     4.658000 
1 1 1 -8  24  16 o 43.966  2.1582  268.131   25.218    284.735   35.714    251.620   35.613    45.377  2.9545  42.555  3.1467  2.821690       4.316364 
1 1 1 -8  24  17 o 21.811  2.5854  68.649    14.493    59.721    20.497    77.574    20.495    20.251  3.9205  23.370  3.3716  -3.119457      5.170891 
1 1 1 -8  24  18 o 21.902  2.7596  69.941    15.590    73.079    22.213    66.896    21.886    22.425  3.8360  21.378  3.9681  1.046957       5.519150 
1 1 1 -8  24  19 o 17.434  2.9888  45.958    14.184    31.065    20.127    60.652    19.992    14.517  4.6081  20.352  3.8075  -5.834910      5.977589 
1 1 1 -8  24  20 o 15.246  3.0568  34.495    13.452    23.690    18.737    45.988    19.324    12.998  4.4603  17.494  4.1811  -4.495970      6.113541 
1 1 1 -8  24  21 o 11.244  2.8428  15.108    11.416    5.4526    16.164    24.717    16.125    9.4664  3.9143  13.021  4.1237  -3.555019      5.685665 
1 1 1 -8  24  22 o 10.751  2.8995  10.971    12.118    22.191    17.803    1.2853    16.541    12.566  4.3457  8.9372  3.8397  3.628467       5.799012 
1 1 1 -8  24  23 o 15.690  4.6571  38.364    20.988    38.364    20.988    0.0000    0.0000    15.690  4.6571  ?       ?       ?              ?        
1 1 1 -8  24  24 o 9.4481  2.8240  4.1982    12.402    8.2332    17.265    -0.1042   17.828    9.9464  4.0717  8.9497  3.9142  0.9967537      5.648008 
1 1 1 -8  25  1  o 29.543  2.0340  119.540   15.804    131.235   22.199    107.520   22.505    31.060  2.6950  28.025  3.0472  3.034945       4.068020 
1 1 1 -8  25  2  o 59.578  2.0224  480.232   32.265    485.925   45.321    474.382   45.945    59.944  2.8227  59.212  2.8970  0.7315025      4.044785 
1 1 1 -8  25  3  o 51.834  2.0036  364.742   27.700    375.316   39.125    354.114   39.224    52.601  2.7869  51.067  2.8794  1.533714       4.007216 
1 1 1 -8  25  4  o 127.445 2.9306  2226.86   100.035   2195.52   141.143   2258.50   141.801   126.530 4.1646  128.361 4.1244  -1.830696      5.861288 
1 1 1 -8  25  5  o 49.690  2.0117  335.633   26.661    337.744   37.659    333.512   37.751    49.850  2.8321  49.530  2.8577  0.3208656      4.023349 
1 1 1 -8  25  6  o 7.9182  2.3230  2.1500    8.1196    3.9396    11.271    0.2193    11.707    8.1771  3.3114  7.6592  3.2588  0.5179348      4.645978 
1 1 1 -8  25  7  o 27.020  2.2028  100.646   15.552    113.845   22.296    88.138    21.704    28.811  2.9299  25.229  3.2901  3.581888       4.405616 
1 1 1 -8  25  8  o 40.129  2.0481  219.981   21.846    208.350   30.729    231.866   31.064    39.034  2.9611  41.225  2.8304  -2.190784      4.096264 
1 1 1 -8  25  9  o 38.661  2.1001  205.102   21.524    190.438   30.592    219.479   30.290    37.246  3.0945  40.076  2.8402  -2.830448      4.200294 
1 1 1 -8  25  10 o 42.748  2.0840  250.415   23.703    241.194   33.490    259.670   33.552    41.938  3.0012  43.558  2.8922  -1.619755      4.167968 
1 1 1 -8  25  11 o 38.597  2.1408  204.954   21.954    207.254   31.176    202.691   30.919    38.814  3.0226  38.379  3.0325  0.4355469      4.281624 
1 1 1 -8  25  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  25  13 o 8.8234  2.5227  1.3050    9.9580    -9.4589   13.693    13.389    14.508    6.9684  3.2029  10.678  3.8986  -3.709872      5.045499 
1 1 1 -8  25  14 f 41.499  2.1977  239.091   24.227    252.655   34.558    225.981   33.974    42.693  3.0420  40.305  3.1727  2.387863       4.395460 
1 1 1 -8  25  15 o 30.838  2.3335  133.755   18.972    137.052   27.022    130.551   26.642    31.226  3.2799  30.451  3.3202  0.7743664      4.667039 
1 1 1 -8  25  16 o 14.734  2.9098  31.640    12.574    45.071    17.792    18.241    17.771    17.500  3.8960  11.968  4.3231  5.531989       5.819607 
1 1 1 -8  25  17 o 20.329  2.8091  60.896    14.746    62.352    20.978    59.474    20.733    20.585  3.9483  20.072  3.9969  0.5129395      5.618225 
1 1 1 -8  25  18 o 22.431  2.8132  74.428    16.218    65.291    23.032    83.415    22.841    20.887  4.2613  23.976  3.6739  -3.088924      5.626431 
1 1 1 -8  25  19 o 20.574  2.8927  63.105    15.380    63.459    21.781    62.754    21.720    20.635  4.0853  20.512  4.0966  0.1230621      5.785498 
1 1 1 -8  25  20 o 9.1003  2.6392  0.8750    11.305    15.060    15.897    -13.6396  16.080    11.017  4.0714  7.1836  3.3594  3.833419       5.278467 
1 1 1 -8  25  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  25  22 o 12.368  3.1683  20.343    13.857    29.044    19.872    12.109    19.333    13.827  4.5934  10.909  4.3651  2.918730       6.336661 
1 1 1 -8  26  1  o 92.265  2.3822  1158.67   58.855    1121.78   82.656    1196.61   83.822    90.761  3.4001  93.768  3.3375  -3.006752      4.764353 
1 1 1 -8  26  2  o 20.089  2.4811  56.873    12.635    38.879    17.371    77.093    18.413    16.520  3.9741  23.657  2.9715  -7.136847      4.962166 
1 1 1 -8  26  3  o 40.044  1.9852  218.452   21.143    208.393   29.719    228.760   30.086    39.094  2.8580  40.994  2.7560  -1.900055      3.970333 
1 1 1 -8  26  4  o 62.102  2.0915  525.625   34.628    568.863   48.923    482.216   49.019    64.746  2.8211  59.458  3.0886  5.287766       4.183096 
1 1 1 -8  26  5  o 39.786  2.0331  216.391   21.488    228.479   30.322    204.197   30.456    40.934  2.7821  38.639  2.9654  2.294201       4.066143 
1 1 1 -8  26  6  o 22.766  2.3867  72.378    14.100    75.703    19.932    69.048    19.948    23.324  3.2813  22.208  3.4668  1.115990       4.773438 
1 1 1 -8  26  7  o 41.753  2.0728  238.883   23.006    226.731   32.584    250.963   32.488    40.663  3.0131  42.844  2.8473  -2.180725      4.145561 
1 1 1 -8  26  8  o 11.054  2.6494  13.552    10.418    25.993    14.429    0.0028    15.058    13.522  3.8170  8.5849  3.6753  4.937366       5.298811 
1 1 1 -8  26  9  o 35.285  3.0712  171.813   28.737    0.0000    0.0000    171.813   28.737    ?       ?       35.285  3.0712  ?              ?        
1 1 1 -8  26  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  26  11 o 41.116  2.1727  234.046   23.749    228.595   33.550    239.521   33.623    40.618  3.1073  41.613  3.0376  -0.9948807     4.345365 
1 1 1 -8  26  12 o 20.613  2.6849  61.272    14.276    61.085    20.040    61.465    20.343    20.589  3.7730  20.637  3.8210  -0.4848862E-01 5.369837 
1 1 1 -8  26  13 o 33.841  2.3003  160.718   20.591    158.137   29.116    163.300   29.125    33.553  3.2817  34.128  3.2243  -0.5748672     4.600680 
1 1 1 -8  26  14 o 34.219  2.2750  164.872   20.571    175.566   29.181    154.307   29.003    35.384  3.1106  33.054  3.3208  2.330353       4.550077 
1 1 1 -8  26  15 o 22.091  2.7397  71.973    15.439    88.902    21.986    55.505    21.685    24.942  3.3779  19.240  4.3143  5.701620       5.479342 
1 1 1 -8  26  16 o 26.344  2.7326  103.413   17.947    72.372    25.479    133.981   25.284    21.895  4.4952  30.792  3.1082  -8.896362      5.465103 
1 1 1 -8  26  17 o 11.906  3.0662  18.267    12.703    16.325    17.976    20.203    17.954    11.559  4.3180  12.254  4.3543  -0.6949644     6.132358 
1 1 1 -8  26  18 o 11.573  3.0064  15.794    12.488    24.432    18.454    8.4987    16.960    13.067  4.4270  10.079  4.0690  2.987290       6.012882 
1 1 1 -8  26  19 o 13.200  3.8379  12.336    17.091    36.461    41.302    7.3512    18.774    16.182  6.4108  10.217  4.2212  5.964311       7.675731 
1 1 1 -8  26  20 o 17.532  3.0813  47.705    14.682    60.837    21.056    35.275    20.484    20.007  4.0677  15.057  4.6295  4.950082       6.162620 
1 1 1 -8  26  21 o 15.944  3.1389  38.546    15.069    61.916    22.221    18.646    20.504    19.911  4.2929  11.978  4.5806  7.933455       6.277828 
1 1 1 -8  27  1  o 8.2761  2.4226  0.9252    9.0346    -5.3278   12.313    8.2177    13.297    7.0461  3.1577  9.5062  3.6749  -2.460054      4.845202 
1 1 1 -8  27  2  o 31.984  2.0721  140.277   17.553    141.755   24.858    138.808   24.790    32.156  2.9179  31.811  2.9428  0.3448639      4.144167 
1 1 1 -8  27  3  o 31.971  2.0827  140.217   17.564    125.114   24.419    156.405   25.281    30.142  3.0674  33.801  2.8181  -3.658941      4.165422 
1 1 1 -8  27  4  o 22.102  2.3844  68.544    13.602    60.826    19.180    76.353    19.293    20.764  3.5777  23.439  3.1532  -2.674406      4.768857 
1 1 1 -8  27  5  o 49.491  2.0417  335.287   26.943    339.444   37.914    331.045   38.297    49.815  2.8534  49.168  2.9211  0.6468849      4.083489 
1 1 1 -8  27  6  f 41.091  2.1028  232.100   22.984    236.940   32.630    227.334   32.379    41.526  2.9529  40.656  2.9945  0.8692703      4.205554 
1 1 1 -8  27  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  27  8  o 29.510  2.3390  121.619   18.147    120.731   25.027    122.603   26.353    29.423  3.2287  29.596  3.3852  -0.1726952     4.678023 
1 1 1 -8  27  9  o 16.066  2.8020  38.610    12.902    57.147    17.695    17.571    18.851    20.038  3.4196  12.094  4.4396  7.943299       5.603936 
1 1 1 -8  27  10 o 33.937  2.2503  161.196   20.134    176.885   28.575    145.729   28.374    35.662  3.0200  32.212  3.3369  3.449284       4.500576 
1 1 1 -8  27  11 o 17.055  2.9411  43.172    13.487    33.236    18.995    53.275    19.154    15.014  4.4238  19.097  3.8770  -4.082651      5.882282 
1 1 1 -8  27  12 o 15.908  2.8510  37.612    13.041    56.246    18.376    18.705    18.510    19.689  3.6178  12.127  4.4072  7.561610       5.701921 
1 1 1 -8  27  13 o 29.505  2.4212  124.222   18.755    117.713   26.428    130.826   26.620    28.670  3.5152  30.340  3.3305  -1.669729      4.842402 
1 1 1 -8  27  14 o 39.995  2.3228  226.798   24.605    209.257   34.603    244.737   34.994    38.341  3.4050  41.650  3.1604  -3.309231      4.645622 
1 1 1 -8  27  15 o 11.712  3.0619  16.696    12.934    10.641    18.305    22.733    18.278    10.673  4.2554  12.751  4.4036  -2.077706      6.123751 
1 1 1 -8  27  16 o 7.6788  2.4438  -5.5830   10.562    -4.1859   14.609    -7.1128   15.287    7.7514  3.4590  7.6062  3.4532  0.1452270      4.887680 
1 1 1 -8  27  17 o 10.306  2.9107  9.0962    12.286    3.5460    16.907    15.307    17.884    9.3105  3.9366  11.302  4.2885  -1.991670      5.821382 
1 1 1 -8  27  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  27  19 o 12.277  3.1725  20.377    13.856    27.722    19.746    13.252    19.449    13.510  4.5794  11.045  4.3917  2.465025       6.344912 
1 1 1 -8  28  1  o 10.109  2.6595  10.778    9.6232    8.1635    12.978    13.972    14.343    9.3942  3.6309  10.825  3.8870  -1.430399      5.319011 
1 1 1 -8  28  2  o 31.081  2.1394  133.324   17.584    134.574   24.816    132.065   24.919    31.236  3.0032  30.927  3.0478  0.3083572      4.278825 
1 1 1 -8  28  3  o 31.506  2.1569  137.397   17.945    143.260   25.129    131.295   25.635    32.233  2.9431  30.780  3.1539  1.452442       4.313849 
1 1 1 -8  28  4  o 41.262  2.9321  234.383   32.195    0.0000    0.0000    234.383   32.195    ?       ?       41.262  2.9321  ?              ?        
1 1 1 -8  28  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  28  6  o 13.468  2.9840  25.602    12.032    29.059    17.022    22.151    17.010    14.193  4.1894  12.744  4.2504  1.448922       5.968035 
1 1 1 -8  28  7  o 15.559  2.8331  35.308    12.369    21.828    17.388    49.115    17.598    12.685  4.2972  18.432  3.6932  -5.747404      5.666203 
1 1 1 -8  28  8  o 44.213  2.1913  272.325   25.770    260.245   36.186    284.755   36.707    43.186  3.1500  45.241  3.0470  -2.054817      4.382545 
1 1 1 -8  28  9  o 38.357  2.2418  207.039   22.487    167.468   31.347    248.992   32.277    34.388  3.4498  42.327  2.8638  -7.939037      4.483621 
1 1 1 -8  28  10 o 30.270  2.3057  129.671   18.361    119.895   25.644    139.953   26.300    29.040  3.3589  31.501  3.1597  -2.460869      4.611440 
1 1 1 -8  28  11 o 16.776  2.9542  42.148    13.771    25.879    19.213    59.337    19.749    13.454  4.5174  20.097  3.8082  -6.643089      5.908379 
1 1 1 -8  28  12 o 16.856  3.0049  43.102    13.657    49.489    19.136    36.473    19.496    18.195  4.0325  15.516  4.4561  2.678857       6.009848 
1 1 1 -8  28  13 o 16.778  3.1733  43.047    14.554    45.653    20.695    40.498    20.470    17.286  4.4450  16.271  4.5300  1.014366       6.346583 
1 1 1 -8  28  14 o 7.7714  2.4962  -7.6685   11.374    -4.1938   15.671    -11.5372  16.535    8.0392  3.5853  7.5037  3.4741  0.5354548      4.992354 
1 1 1 -8  28  15 o 14.262  3.3178  30.537    14.707    32.939    20.617    28.048    20.984    14.707  4.6634  13.816  4.7205  0.8911123      6.635541 
1 1 1 -8  28  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  28  17 o 13.090  3.2312  25.108    14.093    30.702    19.975    19.564    19.885    14.082  4.6017  12.097  4.5371  1.984948       6.462311 
1 1 1 -8  29  1  o 38.792  2.9298  207.570   30.217    0.0000    0.0000    207.570   30.217    ?       ?       38.792  2.9298  ?              ?        
1 1 1 -8  29  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  29  3  o 11.651  2.7843  16.563    11.276    28.086    15.433    3.3670    16.516    13.932  3.9528  9.3697  3.9222  4.561973       5.568541 
1 1 1 -8  29  4  o 54.337  2.1383  409.009   30.989    395.502   43.358    423.116   44.309    53.406  3.0436  55.269  3.0044  -1.862114      4.276671 
1 1 1 -8  29  5  o 25.508  2.4532  93.061    16.116    107.852   22.776    78.228    22.808    27.719  3.1220  23.298  3.7849  4.421036       4.906404 
1 1 1 -8  29  6  o 31.292  2.2791  137.922   18.819    132.623   26.489    143.322   26.742    30.655  3.2768  31.930  3.1687  -1.275175      4.558292 
1 1 1 -8  29  7  o 20.670  2.7560  62.835    14.635    49.591    20.380    76.937    21.029    18.205  4.2557  23.135  3.5031  -4.930117      5.512021 
1 1 1 -8  29  8  o 20.172  2.8940  61.539    15.136    81.669    21.430    41.500    21.382    23.831  3.4584  16.514  4.6412  7.316790       5.788014 
1 1 1 -8  29  9  o 25.088  2.6214  92.734    16.717    110.788   23.361    73.785    23.934    27.921  3.1804  22.256  4.1680  5.664858       5.242862 
1 1 1 -8  29  10 o 26.428  2.5398  101.299   17.409    89.874    24.467    113.013   24.775    24.776  3.8089  28.081  3.3606  -3.305542      5.079527 
1 1 1 -8  29  11 o 12.665  3.0629  22.636    12.685    27.333    17.160    16.977    18.837    13.580  4.2474  11.750  4.4141  1.830600       6.125773 
1 1 1 -8  29  12 o 30.734  2.5056  136.612   20.238    140.281   28.550    132.906   28.691    31.194  3.4761  30.273  3.6096  0.9214649      5.011201 
1 1 1 -8  29  13 o 23.253  2.9210  81.294    17.524    80.019    24.572    82.613    25.000    23.065  4.1291  23.441  4.1328  -0.3762188     5.841989 
1 1 1 -8  29  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  29  15 o 15.767  3.3253  39.674    15.105    38.240    21.091    41.183    21.642    15.497  4.6842  16.037  4.7210  -0.5405893     6.650518 
1 1 1 -8  30  1  o 13.893  2.8833  27.109    11.650    18.985    15.659    37.181    17.435    11.905  4.0777  15.882  4.0776  -3.976818      5.766694 
1 1 1 -8  30  2  o 21.879  2.5234  68.713    14.270    65.733    19.827    71.916    20.554    21.368  3.5915  22.390  3.5454  -1.021761      5.046700 
1 1 1 -8  30  3  o 14.259  2.7973  28.661    11.677    15.746    15.869    43.908    17.243    11.240  4.0813  17.278  3.8267  -6.038630      5.594673 
1 1 1 -8  30  4  o 23.784  2.5631  82.084    15.713    90.261    21.965    73.515    22.487    25.149  3.3437  22.419  3.8855  2.729927       5.126114 
1 1 1 -8  30  5  o 25.550  2.4789  93.838    16.507    91.169    22.875    96.738    23.844    25.175  3.4859  25.924  3.5253  -0.7489376     4.957704 
1 1 1 -8  30  6  o 7.9268  2.4497  -2.9940   10.192    4.2387    14.001    -11.1461  14.864    8.7788  3.6376  7.0749  3.2820  1.703871       4.899367 
1 1 1 -8  30  7  o 15.504  2.9677  36.182    12.935    26.120    18.144    46.580    18.444    13.382  4.3864  17.626  3.9986  -4.244039      5.935423 
1 1 1 -8  30  8  o 21.238  2.8917  67.499    15.852    67.104    22.241    67.907    22.598    21.185  4.0674  21.291  4.1115  -0.1060886     5.783404 
1 1 1 -8  30  9  o 37.065  2.3678  196.696   23.218    207.849   32.865    185.584   32.806    38.193  3.2433  35.936  3.4507  2.257378       4.735632 
1 1 1 -8  30  10 o 11.887  3.0905  18.257    13.025    22.060    18.246    14.304    18.600    12.543  4.3959  11.232  4.3452  1.311594       6.181000 
1 1 1 -8  30  11 o 42.179  2.3643  256.171   26.416    274.375   37.212    237.678   37.505    43.826  3.1919  40.532  3.4886  3.293655       4.728529 
1 1 1 -8  30  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  30  13 o 11.536  3.0494  16.117    13.408    26.840    18.546    4.3779    19.405    13.273  4.4384  9.7986  4.1829  3.474211       6.098818 
1 1 1 -8  31  1  f 17.506  2.8544  46.968    13.728    67.556    19.177    25.330    19.660    21.640  3.4224  13.371  4.5692  8.268710       5.708759 
1 1 1 -8  31  2  o 33.727  2.2012  160.885   19.578    144.103   27.352    178.516   28.036    31.828  3.2542  35.625  2.9650  -3.796829      4.402391 
1 1 1 -8  31  3  o 64.594  2.2572  589.452   38.828    529.266   54.398    651.962   55.438    61.037  3.3400  68.151  3.0370  -7.113689      4.514350 
1 1 1 -8  31  4  o 26.521  2.4926  101.765   17.198    91.477    23.945    112.727   24.717    25.032  3.6814  28.011  3.3616  -2.978872      4.985285 
1 1 1 -8  31  5  o 15.456  3.0362  36.280    13.001    34.069    17.757    38.834    19.087    14.980  4.2364  15.932  4.3504  -0.9524717     6.072301 
1 1 1 -8  31  6  o 9.3439  2.7698  4.4077    11.673    5.8521    15.884    2.7113    17.213    9.4202  3.8865  9.2675  3.9475  0.1527309      5.539650 
1 1 1 -8  31  7  o 27.892  2.5111  113.573   18.141    129.315   25.657    97.834    25.654    30.036  3.2405  25.749  3.8369  4.286734       5.022223 
1 1 1 -8  31  8  o 12.310  2.9170  17.776    12.858    -0.0504   17.720    37.597    18.685    9.0002  3.9203  15.620  4.3206  -6.619867      5.834032 
1 1 1 -8  31  9  o 17.404  4.6728  47.907    22.241    0.0000    0.0000    47.907    22.241    ?       ?       17.404  4.6728  ?              ?        
1 1 1 -8  31  10 o 8.2430  3.6116  -0.8623   15.237    -0.8623   15.237    0.0000    0.0000    8.2430  3.6116  ?       ?       ?              ?        
1 1 1 -8  31  11 o 14.266  3.2462  32.147    14.065    31.304    19.263    33.110    20.586    14.098  4.5116  14.434  4.6686  -0.3364305     6.492315 
1 1 1 -8  32  1  o 10.349  2.8809  10.937    11.674    13.234    15.024    7.4381    18.546    10.511  3.9435  10.186  4.2008  0.3252296      5.761726 
1 1 1 -8  32  2  o 14.735  3.0401  33.125    13.133    42.204    18.225    23.320    18.941    16.650  4.1112  12.821  4.4796  3.828571       6.080194 
1 1 1 -8  32  3  o 18.304  2.6924  49.340    14.628    8.7440    19.901    97.050    21.574    10.598  4.3588  26.009  3.1619  -15.41077      5.384891 
1 1 1 -8  32  4  o 14.391  3.1001  31.646    13.049    33.582    17.778    29.385    19.212    14.819  4.2551  13.962  4.5096  0.8569012      6.200185 
1 1 1 -8  32  5  f 24.301  2.7617  87.978    17.357    84.483    24.081    91.757    25.039    23.784  3.9164  24.819  3.8948  -1.034536      5.523341 
1 1 1 -8  32  6  o 19.175  3.1856  57.466    16.079    54.711    22.309    60.444    23.196    18.684  4.5093  19.666  4.5010  -0.9814606     6.371275 
1 1 1 -8  32  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  32  8  o 12.876  3.0970  22.677    13.850    7.5592    19.283    38.786    19.905    10.166  4.2453  15.587  4.5103  -5.421177      6.193974 
1 1 1 -8  32  9  o 10.891  3.0158  12.391    13.237    2.8682    18.183    23.128    19.307    9.2880  4.0083  12.495  4.5071  -3.206484      6.031582 
1 1 1 -8  33  1  o 31.414  2.4511  143.540   20.264    144.752   28.210    142.249   29.128    31.609  3.3845  31.220  3.5462  0.3897133      4.902102 
1 1 1 -8  33  2  o 13.209  3.2107  25.694    13.703    24.464    18.679    27.127    20.163    12.925  4.4524  13.493  4.6271  -0.5670834     6.421322 
1 1 1 -8  33  3  o 12.576  3.2014  22.262    13.755    19.710    18.779    25.216    20.205    12.038  4.4293  13.114  4.6236  -1.075696      6.402804 
1 1 1 -8  33  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  33  5  o 43.669  3.2723  277.646   37.997    277.646   37.997    0.0000    0.0000    43.669  3.2723  ?       ?       ?              ?        
1 1 1 -8  33  6  o 7.0955  2.3693  -15.3057  11.566    -18.9613  15.150    -10.1977  17.908    6.3620  3.0560  7.8290  3.6214  -1.466978      4.738510 
1 1 1 -8  34  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -8  34  2  o 15.963  4.4533  41.061    19.761    41.061    19.761    0.0000    0.0000    15.963  4.4533  ?       ?       ?              ?        
1 1 1 -8  34  3  o 22.560  2.9638  80.009    17.215    78.096    23.507    82.220    25.281    22.353  4.0765  22.767  4.3034  -0.4140625     5.927639 
1 1 1 -7  -34 9  o 17.360  3.2190  45.952    15.325    63.185    23.582    33.353    20.163    20.087  4.4952  14.633  4.6087  5.454207       6.437914 
1 1 1 -7  -34 10 f 30.819  2.6850  139.736   21.182    177.442   31.199    107.490   28.851    35.000  3.3696  26.639  4.1812  8.360971       5.369995 
1 1 1 -7  -34 11 o 41.202  2.3937  246.046   26.054    226.825   37.439    264.094   36.280    39.450  3.5822  42.953  3.1760  -3.502380      4.787333 
1 1 1 -7  -34 12 o 11.585  3.1935  14.641    13.906    20.638    22.834    11.105    17.533    12.669  4.8364  10.501  4.1717  2.167567       6.387003 
1 1 1 -7  -34 13 o 41.970  2.3823  253.891   26.525    248.035   38.073    259.415   36.976    41.414  3.4641  42.527  3.2712  -1.112511      4.764519 
1 1 1 -7  -34 14 o 13.924  3.2741  29.222    15.176    13.905    23.900    39.569    19.645    11.878  4.8179  15.969  4.4348  -4.091239      6.548220 
1 1 1 -7  -34 15 o 23.016  3.2789  81.335    19.522    109.496   29.074    58.216    26.343    26.987  4.1555  19.045  5.0731  7.941763       6.557760 
1 1 1 -7  -34 16 o 43.608  2.4158  275.459   27.789    245.055   39.686    304.707   38.924    41.006  3.6515  46.210  3.1638  -5.204136      4.831532 
1 1 1 -7  -34 17 o 14.567  3.2884  25.470    15.668    57.023    25.555    6.4645    19.833    18.883  4.9807  10.250  4.2950  8.633240       6.576846 
1 1 1 -7  -34 18 o 32.765  2.7224  158.628   23.418    158.214   33.707    159.015   32.559    32.659  3.9322  32.871  3.7659  -0.2121429     5.444705 
1 1 1 -7  -34 19 o 34.462  2.7278  175.415   24.584    198.762   35.411    153.693   34.157    36.871  3.6328  32.053  4.0703  4.818485       5.455695 
1 1 1 -7  -34 20 o 77.373  2.5101  867.771   51.991    897.981   73.499    837.515   73.555    78.834  3.4808  75.912  3.6175  2.922470       5.020194 
1 1 1 -7  -34 21 o 40.541  2.6475  244.259   27.722    297.626   39.268    191.234   39.142    45.477  3.2450  35.605  4.1840  9.872166       5.294934 
1 1 1 -7  -34 22 o 16.051  3.6874  41.883    18.368    34.820    27.203    47.801    24.903    14.970  5.3555  17.133  5.0700  -2.162277      7.374703 
1 1 1 -7  -34 23 o 36.706  2.8030  201.740   27.058    219.175   39.097    185.712   37.486    38.336  3.8602  35.077  4.0653  3.258892       5.606018 
1 1 1 -7  -34 24 o 20.229  3.6725  65.380    20.415    94.383    31.587    44.573    26.754    24.071  5.0598  16.387  5.3242  7.684525       7.345021 
1 1 1 -7  -34 25 o 21.756  3.6148  78.928    20.730    71.850    30.414    85.069    28.330    20.524  5.4434  22.987  4.7579  -2.463585      7.229640 
1 1 1 -7  -34 26 f 19.046  3.5700  61.609    19.705    36.813    28.085    85.649    27.653    15.007  5.4325  23.085  4.6333  -8.077702      7.140028 
1 1 1 -7  -34 27 o 23.467  3.7196  95.259    23.051    73.144    33.225    115.783   32.007    20.108  5.8296  26.825  4.6214  -6.717104      7.439180 
1 1 1 -7  -33 4  o 20.165  3.0541  63.172    15.940    56.888    23.762    68.313    21.494    18.996  4.6967  21.334  3.9053  -2.338184      6.108211 
1 1 1 -7  -33 5  o 23.599  2.8253  81.951    17.098    96.421    26.096    71.065    22.633    25.454  3.9560  21.744  4.0348  3.710621       5.650587 
1 1 1 -7  -33 6  o 25.224  2.8017  93.506    18.218    105.558   27.352    83.895    24.425    26.708  3.9420  23.740  3.9822  2.967220       5.603325 
1 1 1 -7  -33 7  o 37.983  2.2949  204.553   23.036    229.590   33.820    182.882   31.464    40.208  3.1659  35.759  3.3231  4.449062       4.589761 
1 1 1 -7  -33 8  o 17.279  3.2728  46.583    15.456    41.484    23.748    50.329    20.358    16.348  4.9771  18.209  4.2513  -1.861292      6.545623 
1 1 1 -7  -33 9  f 35.460  2.4099  179.530   22.582    189.869   32.807    170.220   31.131    36.440  3.4005  34.480  3.4158  1.960400       4.819821 
1 1 1 -7  -33 10 o 23.271  6.9361  93.983    46.484    93.983    46.484    0.0000    0.0000    23.271  6.9361  ?       ?       ?              ?        
1 1 1 -7  -33 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -33 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -33 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -33 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -33 15 o 20.253  4.5038  62.451    23.801    0.0000    0.0000    62.451    23.801    ?       ?       20.253  4.5038  ?              ?        
1 1 1 -7  -33 16 o 34.909  2.5422  174.782   23.378    190.424   34.081    160.881   32.128    36.428  3.5375  33.389  3.6521  3.039806       5.084429 
1 1 1 -7  -33 17 o 10.713  3.0084  1.2843    13.444    27.934    22.945    -12.6471  16.590    14.001  4.9281  7.4246  3.4520  6.576248       6.016863 
1 1 1 -7  -33 18 o 9.0577  2.9177  -9.6535   15.363    -7.1572   23.802    -11.4362  20.115    9.6670  4.3563  8.4484  3.8827  1.218644       5.835473 
1 1 1 -7  -33 19 o 24.596  4.1227  111.676   25.573    65.935    51.167    126.906   29.526    19.721  7.3013  29.470  3.8310  -9.748951      8.245316 
1 1 1 -7  -33 20 o 44.627  4.2906  295.120   50.655    0.0000    0.0000    295.120   50.655    ?       ?       44.627  4.2906  ?              ?        
1 1 1 -7  -33 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -33 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -33 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -33 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -33 25 o 27.601  3.1904  117.007   22.750    114.788   32.668    119.097   31.701    27.242  4.6436  27.961  4.3764  -0.7185421     6.380865 
1 1 1 -7  -33 26 o 27.828  3.2662  120.329   23.437    112.974   33.492    127.388   32.808    26.794  4.8451  28.862  4.3816  -2.067728      6.532482 
1 1 1 -7  -33 27 o 20.074  3.5544  67.649    20.834    32.886    30.192    99.249    28.786    14.806  5.5831  25.342  4.4004  -10.53561      7.108810 
1 1 1 -7  -33 28 o 33.915  2.9061  174.366   25.778    191.009   37.158    158.925   35.792    35.623  3.9614  32.207  4.2531  3.416267       5.812195 
1 1 1 -7  -33 29 o 13.690  3.6857  27.371    19.006    18.994    29.059    33.634    25.125    12.832  5.2711  14.548  5.1530  -1.715398      7.371389 
1 1 1 -7  -33 30 o 10.621  3.1913  -6.3248   17.622    28.339    26.667    -33.1952  23.478    13.715  5.2288  7.5262  3.6603  6.188653       6.382653 
1 1 1 -7  -33 31 o 45.182  2.6970  310.451   32.305    327.206   46.738    295.123   44.702    46.378  3.7957  43.985  3.8326  2.392410       5.394079 
1 1 1 -7  -32 1  o 21.999  2.9463  72.718    16.695    76.421    24.530    69.522    22.786    22.497  4.2259  21.501  4.1065  0.9969120      5.892501 
1 1 1 -7  -32 2  o 27.858  2.6339  113.589   19.031    107.332   27.896    119.036   26.029    26.972  3.9810  28.744  3.4497  -1.772545      5.267701 
1 1 1 -7  -32 3  o 7.2151  2.3974  -15.4453  11.292    -9.4781   18.504    -18.9860  14.254    8.2354  3.7621  6.1949  2.9726  2.040566       4.794766 
1 1 1 -7  -32 4  o 14.968  4.8872  33.423    22.532    33.423    22.532    0.0000    0.0000    14.968  4.8872  ?       ?       ?              ?        
1 1 1 -7  -32 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -32 6  o 8.8352  3.7675  1.6197    15.711    0.0000    0.0000    1.6197    15.711    ?       ?       8.8352  3.7675  ?              ?        
1 1 1 -7  -32 7  o 27.341  2.6864  108.758   18.979    102.534   28.053    114.011   25.771    26.447  4.0925  28.236  3.4813  -1.789709      5.372830 
1 1 1 -7  -32 8  o 10.270  2.7309  10.819    11.097    -5.7049   18.812    19.638    13.743    8.7348  3.9095  11.806  3.8142  -3.071120      5.461899 
1 1 1 -7  -32 9  o 12.709  3.1834  21.571    13.419    22.255    20.876    21.089    17.518    12.979  4.6859  12.438  4.3102  0.5407219      6.366751 
1 1 1 -7  -32 10 o 37.021  2.3311  193.243   22.814    212.208   33.074    176.029   31.510    38.810  3.2105  35.231  3.3807  3.578793       4.662223 
1 1 1 -7  -32 11 o 40.046  2.3064  226.090   24.516    231.274   35.233    221.224   34.135    40.483  3.2774  39.608  3.2461  0.8749390      4.612826 
1 1 1 -7  -32 12 o 25.000  2.8334  90.704    18.051    115.891   26.752    69.654    24.457    28.420  3.5947  21.580  4.3807  6.839708       5.666783 
1 1 1 -7  -32 13 o 26.706  2.7265  105.066   18.554    87.640    27.106    120.430   25.452    24.300  4.3230  29.112  3.3236  -4.812527      5.452901 
1 1 1 -7  -32 14 o 44.249  2.2835  275.772   26.866    286.814   38.292    265.068   37.703    45.154  3.1866  43.345  3.2716  1.808910       4.567004 
1 1 1 -7  -32 15 o 10.922  3.0484  11.675    13.113    7.5191    20.792    14.420    16.898    10.732  4.4388  11.112  4.1796  -0.3797770     6.096853 
1 1 1 -7  -32 16 o 36.944  2.3991  194.191   23.344    216.123   33.148    172.613   32.880    39.153  3.1885  34.735  3.5856  4.418045       4.798266 
1 1 1 -7  -32 17 o 36.782  2.4933  193.305   24.140    215.005   34.415    172.288   33.869    38.951  3.3307  34.612  3.7112  4.339085       4.986575 
1 1 1 -7  -32 18 o 50.836  2.3209  365.402   31.366    391.277   44.394    339.612   44.322    52.739  3.1572  48.934  3.4028  3.805923       4.641847 
1 1 1 -7  -32 19 f 22.616  3.1126  77.416    18.297    121.691   26.969    39.659    24.905    29.108  3.5314  16.124  5.1267  12.98382       6.225274 
1 1 1 -7  -32 20 o 31.872  2.6907  147.230   22.512    150.488   32.204    144.116   31.481    32.220  3.8050  31.523  3.8054  0.6968250      5.381354 
1 1 1 -7  -32 21 o 55.058  2.3446  429.379   34.402    413.331   48.017    446.304   49.313    53.979  3.3375  56.138  3.2940  -2.158428      4.689227 
1 1 1 -7  -32 22 o 26.109  3.0972  102.044   20.865    110.435   30.012    94.194    29.027    27.244  4.2516  24.974  4.5051  2.270630       6.194468 
1 1 1 -7  -32 23 o 28.337  2.9160  118.824   21.478    120.943   30.778    116.813   29.986    28.574  4.1422  28.099  4.1053  0.4757633      5.831940 
1 1 1 -7  -32 24 o 24.875  3.2533  95.059    20.766    81.254    29.806    108.082   28.949    22.788  5.0188  26.962  4.1410  -4.173697      6.506621 
1 1 1 -7  -32 25 o 42.570  2.5136  261.243   28.338    242.697   39.919    280.084   40.235    40.931  3.6804  44.208  3.4246  -3.277203      5.027272 
1 1 1 -7  -32 26 o 18.973  3.6427  57.470    18.973    57.386    27.535    57.545    26.178    18.912  5.2499  19.033  5.0512  -0.1213818     7.285303 
1 1 1 -7  -32 27 o 23.764  3.3642  87.276    20.642    101.207   30.331    75.257    28.173    25.684  4.5768  21.844  4.9318  3.839504       6.728314 
1 1 1 -7  -32 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -32 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -32 30 o 41.033  2.6877  250.380   29.048    233.305   41.981    266.062   40.234    39.436  4.0311  42.630  3.5561  -3.194057      5.375471 
1 1 1 -7  -32 31 o 15.864  3.7368  41.494    18.862    33.778    28.155    47.777    25.406    14.739  5.4233  16.990  5.1423  -2.251678      7.473668 
1 1 1 -7  -32 32 o 20.479  3.6442  69.573    20.338    90.740    30.013    51.597    27.657    23.583  4.9109  17.375  5.3855  6.207783       7.288406 
1 1 1 -7  -32 33 o 13.900  3.5219  27.361    18.969    0.0940    28.111    50.157    25.703    10.692  4.7827  17.108  5.1711  -6.415859      7.043764 
1 1 1 -7  -32 34 o 10.428  3.2560  1.5888    17.866    11.874    26.760    -6.6828   23.998    11.519  4.9145  9.3367  4.2724  2.181917       6.511985 
1 1 1 -7  -31 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -31 2  o 15.393  3.1832  34.113    14.054    45.971    21.588    25.393    18.514    17.426  4.5691  13.359  4.4333  4.066311       6.366422 
1 1 1 -7  -31 3  o 11.882  2.7088  5.3441    12.212    43.583    20.104    -17.0144  15.373    17.039  4.3808  6.7246  3.1873  10.31418       5.417634 
1 1 1 -7  -31 4  o 14.630  3.0916  31.917    13.470    21.664    20.229    40.085    18.055    12.843  4.6157  16.417  4.1142  -3.573784      6.183160 
1 1 1 -7  -31 5  o 25.372  2.5583  91.944    16.766    107.525   24.587    78.404    22.921    27.494  3.4121  23.250  3.8128  4.244633       5.116652 
1 1 1 -7  -31 6  f 15.971  3.1749  37.755    13.921    40.221    22.184    36.153    17.880    16.347  4.7706  15.595  4.1907  0.7513142      6.349853 
1 1 1 -7  -31 7  f 20.434  2.9648  62.842    15.584    52.819    23.298    70.959    20.966    18.695  4.6671  22.173  3.6578  -3.477299      5.929646 
1 1 1 -7  -31 8  o 16.504  3.1908  41.271    14.600    34.983    22.029    46.196    19.497    15.378  4.8130  17.630  4.1904  -2.251842      6.381527 
1 1 1 -7  -31 9  o 21.336  2.8873  67.686    15.784    58.375    23.283    75.605    21.471    19.743  4.5027  22.930  3.6157  -3.187204      5.774692 
1 1 1 -7  -31 10 o 31.963  2.4377  144.120   20.476    159.493   29.955    130.637   28.054    33.608  3.3731  30.318  3.5202  3.290682       4.875459 
1 1 1 -7  -31 11 o 6.2979  2.1397  -18.4366  9.1434    -10.8411  16.738    -21.6675  10.916    7.6941  3.5382  4.9016  2.4074  2.792466       4.279481 
1 1 1 -7  -31 12 o 42.598  2.2429  254.135   25.283    284.157   36.110    225.261   35.413    45.175  3.0013  40.021  3.3339  5.154324       4.485828 
1 1 1 -7  -31 13 o 69.986  2.2552  682.304   42.274    685.773   60.089    678.906   59.485    70.155  3.1978  69.817  3.1809  0.3379211      4.510446 
1 1 1 -7  -31 14 o 19.671  3.1487  58.175    16.160    53.581    24.123    61.915    21.765    18.821  4.7771  20.520  4.1033  -1.699251      6.297401 
1 1 1 -7  -31 15 o 7.0112  2.3485  -17.5550  11.344    -14.8093  18.242    -19.2866  14.486    7.7447  3.6072  6.2778  3.0082  1.466903       4.696939 
1 1 1 -7  -31 16 o 36.838  2.3194  191.009   22.622    199.280   31.887    182.628   32.098    37.695  3.1881  35.981  3.3698  1.714245       4.638898 
1 1 1 -7  -31 17 o 22.307  3.0951  73.831    17.829    69.927    25.183    77.755    25.246    21.649  4.4903  22.966  4.2610  -1.317377      6.190184 
1 1 1 -7  -31 18 o 27.396  2.7094  109.730   18.813    84.144    26.695    134.975   26.517    23.862  4.3365  30.931  3.2493  -7.068935      5.418780 
1 1 1 -7  -31 19 o 19.821  3.1606  58.434    17.346    93.777    25.479    27.903    23.681    25.441  3.8602  14.202  5.0057  11.23945       6.321213 
1 1 1 -7  -31 20 o 32.637  2.5796  153.143   21.821    180.693   31.034    126.206   30.687    35.783  3.2743  29.491  3.9871  6.292004       5.159269 
1 1 1 -7  -31 21 o 37.159  2.4286  196.114   23.861    207.075   33.752    185.162   33.738    38.269  3.3259  36.048  3.5398  2.220352       4.857101 
1 1 1 -7  -31 22 o 49.942  2.2676  351.094   30.149    366.694   42.719    335.611   42.557    51.104  3.1360  48.780  3.2762  2.323849       4.535205 
1 1 1 -7  -31 23 o 53.248  2.3033  400.095   32.689    404.210   46.050    395.915   46.412    53.551  3.2255  52.945  3.2890  0.6060829      4.606666 
1 1 1 -7  -31 24 o 8.9545  2.9082  -12.6586  15.873    -8.8624   23.406    -15.8911  21.598    9.4577  4.2855  8.4513  3.9325  1.006416       5.816413 
1 1 1 -7  -31 25 o 42.424  2.4115  256.559   27.167    251.259   38.261    261.949   38.582    41.962  3.4343  42.886  3.3863  -0.9238892     4.823028 
1 1 1 -7  -31 26 o 51.626  2.3380  378.738   32.159    378.685   45.372    378.792   45.589    51.630  3.2981  51.622  3.3146  0.7625580E-02  4.675960 
1 1 1 -7  -31 27 o 8.2801  2.7405  -19.0481  15.515    -32.6220  23.428    -8.4431   20.708    7.7152  3.7290  8.8450  4.0169  -1.129752      5.480989 
1 1 1 -7  -31 28 o 17.992  3.4796  52.100    18.089    33.132    26.855    67.855    24.473    14.952  5.3240  21.031  4.4816  -6.079589      6.959182 
1 1 1 -7  -31 29 o 26.518  3.0621  106.267   20.974    107.068   30.440    105.543   28.940    26.541  4.4387  26.495  4.2195  0.4592323E-01  6.124207 
1 1 1 -7  -31 30 o 8.6018  2.7743  -13.6738  15.039    -34.4298  22.836    2.2238    19.985    7.4418  3.6171  9.7618  4.2075  -2.319985      5.548576 
1 1 1 -7  -31 31 o 14.197  5.1771  29.516    25.574    0.0000    0.0000    29.516    25.574    ?       ?       14.197  5.1771  ?              ?        
1 1 1 -7  -31 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -31 33 o 48.501  2.5004  344.829   32.200    371.561   46.148    319.465   44.951    50.456  3.4351  46.546  3.6344  3.910179       5.000866 
1 1 1 -7  -31 34 o 20.866  3.6523  74.693    20.800    55.041    30.735    91.298    28.253    17.764  5.7003  23.968  4.5677  -6.203611      7.304635 
1 1 1 -7  -31 35 o 19.806  3.8001  68.052    20.657    69.403    29.902    66.818    28.571    19.936  5.4457  19.676  5.3017  0.2596931      7.600235 
1 1 1 -7  -31 36 o 14.920  3.7002  37.335    18.699    49.286    26.997    26.316    25.924    16.659  5.3420  13.181  5.1213  3.477790       7.400342 
1 1 1 -7  -30 1  o 19.746  2.9524  58.460    15.121    47.985    22.052    67.757    20.775    17.853  4.5870  21.639  3.7184  -3.786005      5.904788 
1 1 1 -7  -30 2  f 39.816  2.1932  221.408   23.195    228.757   33.365    214.534   32.269    40.458  3.1026  39.175  3.1006  1.283463       4.386317 
1 1 1 -7  -30 3  o 30.688  2.3808  134.402   18.955    114.595   27.376    152.642   26.271    28.310  3.6988  33.066  2.9988  -4.756968      4.761681 
1 1 1 -7  -30 4  o 14.385  3.0130  28.901    12.512    39.748    19.379    21.147    16.384    16.356  4.3486  12.415  4.1715  3.940887       6.025904 
1 1 1 -7  -30 5  o 27.349  2.4965  108.106   17.419    87.956    25.380    126.050   23.950    24.657  3.9783  30.041  3.0173  -5.383816      4.993075 
1 1 1 -7  -30 6  o 29.862  2.4626  126.253   18.527    170.807   27.224    87.815    25.286    35.064  2.9254  24.660  3.9624  10.40398       4.925261 
1 1 1 -7  -30 7  o 16.201  2.9573  35.703    14.098    63.397    21.397    14.461    18.740    20.889  3.9695  11.513  4.3848  9.376011       5.914626 
1 1 1 -7  -30 8  o 34.490  2.2758  166.204   20.766    166.987   29.950    165.480   28.819    34.543  3.2762  34.437  3.1596  0.1062279      4.551542 
1 1 1 -7  -30 9  o 36.017  2.2153  180.429   21.108    197.037   30.395    164.958   29.335    37.667  3.0385  34.367  3.2246  3.300564       4.430582 
1 1 1 -7  -30 10 o 38.471  2.2280  205.985   22.566    239.139   32.476    175.031   31.380    41.578  2.9350  35.363  3.3530  6.214043       4.456100 
1 1 1 -7  -30 11 o 38.302  2.2087  204.136   22.356    227.256   31.856    181.697   31.383    40.527  2.9550  36.077  3.2836  4.449814       4.417495 
1 1 1 -7  -30 12 o 16.107  3.0047  36.212    13.448    53.327    20.706    23.727    17.685    19.099  4.1649  13.115  4.3321  5.984575       6.009444 
1 1 1 -7  -30 13 o 37.826  2.2350  198.933   22.433    199.160   32.014    198.714   31.444    37.835  3.1888  37.817  3.1325  0.1806641E-01  4.470034 
1 1 1 -7  -30 14 o 13.304  3.1958  22.950    13.793    31.897    20.527    15.583    18.625    14.889  4.6437  11.720  4.3919  3.169386       6.391615 
1 1 1 -7  -30 15 o 25.454  2.7178  92.599    17.940    91.348    25.713    93.786    25.043    25.248  3.9300  25.659  3.7550  -0.4111652     5.435533 
1 1 1 -7  -30 16 o 31.335  2.4008  137.772   19.827    137.567   27.908    137.980   28.172    31.317  3.3807  31.352  3.4097  -0.3543091E-01 4.801602 
1 1 1 -7  -30 17 o 52.686  2.1676  384.509   30.439    392.824   42.719    375.933   43.385    53.300  3.0045  52.072  3.1251  1.228519       4.335114 
1 1 1 -7  -30 18 o 11.956  3.2386  15.265    14.595    10.851    21.770    18.869    19.671    11.501  4.6215  12.411  4.5383  -0.9094639     6.477215 
1 1 1 -7  -30 19 o 60.161  2.2011  502.029   35.345    526.081   49.659    477.334   50.319    61.730  3.0034  58.592  3.2186  3.137577       4.402292 
1 1 1 -7  -30 20 o 34.952  2.3583  171.325   21.798    178.511   31.063    164.354   30.596    35.703  3.2851  34.201  3.3844  1.501366       4.716556 
1 1 1 -7  -30 21 o 23.850  2.9579  85.647    17.676    52.507    25.011    118.715   24.984    18.649  4.9316  29.051  3.2675  -10.40161      5.915874 
1 1 1 -7  -30 22 o 21.501  3.1733  69.146    17.740    52.398    24.914    86.372    25.266    18.602  4.9234  24.401  4.0049  -5.799107      6.346570 
1 1 1 -7  -30 23 o 26.185  2.9473  101.893   19.316    134.417   27.475    70.105    27.162    30.828  3.3830  21.542  4.8271  9.286034       5.894545 
1 1 1 -7  -30 24 o 20.670  3.2940  64.580    17.855    73.831    25.322    55.434    25.180    22.282  4.3991  19.059  4.9041  3.222832       6.588019 
1 1 1 -7  -30 25 o 11.487  3.2379  11.673    15.327    2.7568    22.976    18.822    20.574    10.590  4.5369  12.385  4.6209  -1.794854      6.475852 
1 1 1 -7  -30 26 o 43.324  2.3524  265.469   27.016    289.718   38.658    242.319   37.771    45.351  3.2030  41.298  3.4461  4.052738       4.704792 
1 1 1 -7  -30 27 o 27.313  2.8492  109.499   20.148    120.351   28.800    99.098    28.197    28.769  3.8329  25.857  4.2168  2.912333       5.698443 
1 1 1 -7  -30 28 o 26.255  2.9415  102.621   19.904    96.045    28.866    108.581   27.481    25.274  4.4253  27.236  3.8764  -1.962111      5.883022 
1 1 1 -7  -30 29 o 13.486  3.4857  24.474    16.246    28.422    25.045    21.605    21.347    14.181  5.1306  12.791  4.7198  1.390184       6.971363 
1 1 1 -7  -30 30 o 18.693  3.5282  55.513    18.066    50.021    26.363    60.376    24.805    17.720  5.2090  19.667  4.7602  -1.947027      7.056398 
1 1 1 -7  -30 31 o 16.023  3.6020  40.421    17.496    35.404    25.551    44.850    24.006    15.207  5.2089  16.838  4.9766  -1.631022      7.204092 
1 1 1 -7  -30 32 o 10.629  3.0892  2.0366    15.905    -22.1951  23.324    23.100    21.746    8.2974  3.9308  12.960  4.7667  -4.662836      6.178413 
1 1 1 -7  -30 33 o 28.821  2.9380  124.301   21.850    146.073   32.226    105.778   29.725    31.337  3.9255  26.304  4.3725  5.033413       5.876088 
1 1 1 -7  -30 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -30 35 o 19.926  4.0460  67.560    22.563    60.080    29.727    77.725    34.653    18.773  5.5349  21.079  5.9031  -2.306028      8.092070 
1 1 1 -7  -30 36 o 15.171  3.6777  36.850    18.401    48.947    26.746    25.979    25.355    16.973  5.3018  13.370  5.0983  3.603064       7.355355 
1 1 1 -7  -30 37 o 13.013  3.2903  16.524    18.017    -19.2369  25.727    50.947    25.241    8.7870  4.1524  17.239  5.1050  -8.451986      6.580531 
1 1 1 -7  -30 38 f 10.987  3.3181  8.3097    17.578    19.633    25.554    -1.8607   24.217    12.221  4.9726  9.7529  4.3947  2.468400       6.636238 
1 1 1 -7  -29 1  o 18.807  2.8487  51.467    13.880    55.930    20.643    47.785    18.750    19.547  4.0750  18.068  3.9818  1.479069       5.697408 
1 1 1 -7  -29 2  o 26.839  2.3344  101.302   16.409    102.969   23.854    99.804    22.607    27.026  3.3685  26.653  3.2329  0.3722763      4.668848 
1 1 1 -7  -29 3  o 39.595  2.1566  218.626   22.538    194.233   32.222    241.993   31.536    37.314  3.2566  41.876  2.8282  -4.561520      4.313277 
1 1 1 -7  -29 4  o 14.428  2.6976  25.313    12.085    54.328    18.802    4.8903    15.774    19.426  3.7492  9.4291  3.8796  9.997311       5.395200 
1 1 1 -7  -29 5  o 23.504  2.4848  77.800    15.024    92.906    22.041    64.689    20.534    25.745  3.2699  21.262  3.7423  4.483570       4.969638 
1 1 1 -7  -29 6  o 51.059  2.0866  359.740   28.345    339.731   40.648    378.677   39.546    49.611  3.0741  52.508  2.8222  -2.896912      4.173102 
1 1 1 -7  -29 7  o 10.718  2.8012  12.201    11.338    -1.1189   18.465    20.262    14.364    9.2935  4.0249  12.142  3.8970  -2.848397      5.602338 
1 1 1 -7  -29 8  o 37.842  2.1670  197.618   21.711    217.937   31.230    178.612   30.204    39.775  2.9524  35.909  3.1730  3.866566       4.334090 
1 1 1 -7  -29 9  o 25.119  2.5152  88.931    16.403    87.269    23.930    90.404    22.528    24.841  3.7103  25.397  3.3969  -0.5558014     5.030422 
1 1 1 -7  -29 10 o 8.8904  2.6383  -0.3484   10.699    9.7344    16.894    -7.1006   13.825    10.491  4.1179  7.2899  3.2993  3.201073       5.276604 
1 1 1 -7  -29 11 o 54.467  2.1244  407.644   30.845    428.077   43.741    387.433   43.502    55.860  2.9337  53.073  3.0733  2.786808       4.248805 
1 1 1 -7  -29 12 o 48.142  2.1139  318.549   27.110    329.776   38.353    307.338   38.325    49.015  2.9349  47.269  3.0433  1.746056       4.227886 
1 1 1 -7  -29 13 o 28.414  2.4590  113.387   18.044    134.844   25.782    92.786    25.263    31.209  3.1263  25.619  3.7965  5.589766       4.918053 
1 1 1 -7  -29 14 o 10.735  2.9986  9.6489    12.848    4.3852    19.529    13.665    17.060    10.268  4.2788  11.202  4.2023  -0.9344006     5.997286 
1 1 1 -7  -29 15 o 12.656  3.1793  19.786    13.789    12.906    20.312    25.668    18.779    11.643  4.5305  13.670  4.4616  -2.027543      6.358531 
1 1 1 -7  -29 16 o 52.714  2.1367  382.754   29.958    410.612   42.120    354.230   42.619    54.725  2.8837  50.702  3.1539  4.022770       4.273477 
1 1 1 -7  -29 17 o 62.991  2.1760  545.276   36.632    558.854   51.498    531.368   52.120    63.854  3.0110  62.128  3.1422  1.726131       4.351986 
1 1 1 -7  -29 18 o 62.211  2.1693  532.169   36.056    548.085   50.637    515.800   51.353    63.230  2.9899  61.191  3.1438  2.038658       4.338567 
1 1 1 -7  -29 19 o 21.924  3.0083  69.268    17.007    75.292    24.880    63.985    23.302    22.848  4.2209  21.000  4.2877  1.848059       6.016691 
1 1 1 -7  -29 20 o 41.828  2.2385  242.220   24.885    245.851   34.961    238.491   35.428    42.168  3.1174  41.488  3.2132  0.6795769      4.476926 
1 1 1 -7  -29 21 o 31.243  2.4681  137.253   20.209    148.299   28.339    125.823   28.828    32.616  3.2887  29.869  3.6812  2.747555       4.936275 
1 1 1 -7  -29 22 o 28.869  2.6001  117.789   19.644    114.574   27.572    121.104   27.995    28.452  3.7060  29.286  3.6481  -0.8338737     5.200254 
1 1 1 -7  -29 23 o 17.476  3.3771  45.375    16.351    39.390    23.234    51.248    23.017    16.367  4.9095  18.585  4.6384  -2.218079      6.754154 
1 1 1 -7  -29 24 f 13.428  2.9305  18.049    14.456    48.930    20.873    -10.4157  20.040    18.206  4.3415  8.6502  3.9374  9.555415       5.861056 
1 1 1 -7  -29 25 o 54.994  2.1992  420.056   32.244    400.826   45.132    440.104   46.082    53.678  3.1529  56.310  3.0669  -2.632057      4.398441 
1 1 1 -7  -29 26 o 25.917  2.8627  98.578    18.762    124.008   26.654    73.603    26.414    29.605  3.4245  22.229  4.5884  7.375441       5.725429 
1 1 1 -7  -29 27 o 18.161  3.1525  46.877    16.711    82.249    25.035    18.449    22.443    23.714  4.0891  12.607  4.7992  11.10722       6.304966 
1 1 1 -7  -29 28 o 25.969  2.8016  98.045    18.853    102.985   27.369    93.584    26.007    26.601  3.9622  25.337  3.9620  1.263779       5.603268 
1 1 1 -7  -29 29 o 37.033  2.4506  195.145   24.008    203.206   34.747    187.782   33.210    37.763  3.4742  36.302  3.4572  1.460976       4.901252 
1 1 1 -7  -29 30 o 43.201  2.2940  264.230   26.334    276.886   37.731    252.209   36.772    44.241  3.2058  42.161  3.2821  2.080265       4.587947 
1 1 1 -7  -29 31 o 31.486  2.5926  143.218   21.349    161.871   31.161    126.718   29.307    33.520  3.5235  29.452  3.8040  4.067518       5.185129 
1 1 1 -7  -29 32 o 13.636  3.4345  26.395    16.048    19.392    23.910    32.137    21.648    12.689  4.9216  14.583  4.7918  -1.893510      6.869071 
1 1 1 -7  -29 33 o 15.783  3.5055  37.013    17.427    56.465    25.608    20.234    23.783    18.820  4.9965  12.746  4.9183  6.073876       7.011063 
1 1 1 -7  -29 34 o 30.197  2.7408  135.070   21.646    140.192   31.135    130.279   30.116    30.766  3.8634  29.629  3.8887  1.137682       5.481602 
1 1 1 -7  -29 35 o 29.735  2.8462  132.651   22.082    131.167   31.386    134.107   31.073    29.529  4.0769  29.942  3.9727  -0.4125614     5.692408 
1 1 1 -7  -29 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -29 37 f 14.544  3.7005  31.627    18.853    45.916    27.792    19.446    25.660    16.515  5.4294  12.573  5.0297  3.942646       7.401090 
1 1 1 -7  -29 38 o 16.294  3.7927  45.501    19.176    46.707    27.159    44.303    27.079    16.487  5.3647  16.101  5.3626  0.3858051      7.585314 
1 1 1 -7  -29 39 o 17.406  3.7816  53.758    19.451    60.119    27.576    47.460    27.439    18.452  5.2998  16.360  5.3957  2.091883       7.563206 
1 1 1 -7  -29 40 o 8.6006  2.8660  -15.6147  17.142    -11.9735  24.011    -19.4000  24.482    8.8133  4.1161  8.3880  3.9893  0.4252729      5.732083 
1 1 1 -7  -28 1  o 11.948  2.9305  18.471    11.422    18.224    16.987    18.675    15.431    11.998  4.2385  11.897  4.0481  0.1007185      5.861050 
1 1 1 -7  -28 2  o 10.319  2.1572  0.4964    9.9419    -35.1599  14.281    34.027    13.849    5.2285  2.6008  15.409  3.4424  -10.18004      4.314369 
1 1 1 -7  -28 3  o 29.523  2.2368  120.790   17.396    124.875   25.273    117.113   23.982    29.991  3.1953  29.055  3.1310  0.9364433      4.473664 
1 1 1 -7  -28 4  o 18.641  2.7388  48.792    13.284    69.378    20.083    32.779    17.712    22.189  3.4946  15.093  4.2180  7.096181       5.477572 
1 1 1 -7  -28 5  f 23.848  2.5460  81.883    15.313    62.123    22.135    100.019   21.205    20.802  4.1185  26.894  2.9946  -6.092342      5.092092 
1 1 1 -7  -28 6  f 12.278  2.8340  18.692    11.968    2.1378    17.917    32.029    16.082    9.6173  4.0587  14.939  3.9564  -5.322035      5.667963 
1 1 1 -7  -28 7  o 41.713  2.0601  238.241   22.866    245.522   32.756    231.321   31.934    42.339  2.9060  41.086  2.9209  1.252758       4.120261 
1 1 1 -7  -28 8  o 16.715  2.8941  40.717    12.872    34.790    19.378    45.398    17.219    15.586  4.4317  17.843  3.7234  -2.256131      5.788226 
1 1 1 -7  -28 9  o 34.747  2.1674  166.125   19.946    160.834   28.462    171.232   27.962    34.176  3.1445  35.319  2.9837  -1.143013      4.334761 
1 1 1 -7  -28 10 o 77.001  4.2339  824.734   86.988    824.734   86.988    0.0000    0.0000    77.001  4.2339  ?       ?       ?              ?        
1 1 1 -7  -28 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 20 o 56.211  2.1507  433.764   32.204    457.684   44.770    408.116   46.358    57.922  2.8857  54.499  3.1897  3.423084       4.301315 
1 1 1 -7  -28 21 o 28.074  2.5526  110.709   18.469    90.272    25.745    132.375   26.508    25.244  3.9360  30.903  3.2513  -5.659391      5.105189 
1 1 1 -7  -28 22 o 57.940  2.1389  460.666   33.094    474.501   46.298    446.213   47.322    58.907  2.9343  56.972  3.1128  1.934654       4.277831 
1 1 1 -7  -28 23 o 54.553  2.1433  409.168   31.189    410.736   43.776    407.552   44.447    54.673  3.0008  54.432  3.0610  0.2407608      4.286522 
1 1 1 -7  -28 24 o 38.543  2.2480  205.794   22.983    214.005   32.469    197.549   32.538    39.347  3.1060  37.739  3.2506  1.607986       4.495941 
1 1 1 -7  -28 25 o 54.896  2.1517  415.599   31.510    424.711   44.682    406.586   44.442    55.510  3.0165  54.283  3.0692  1.227543       4.303402 
1 1 1 -7  -28 26 o 46.976  2.1796  305.499   27.262    302.493   38.957    308.385   38.165    46.725  3.1309  47.228  3.0330  -0.5028763     4.359122 
1 1 1 -7  -28 27 o 61.712  2.1916  526.856   36.151    545.338   51.538    508.955   50.721    62.837  3.0622  60.587  3.1362  2.249413       4.383224 
1 1 1 -7  -28 28 o 47.994  2.2200  321.081   28.328    301.739   40.245    340.073   39.880    46.488  3.2526  49.500  3.0224  -3.012211      4.440055 
1 1 1 -7  -28 29 o 61.627  2.1931  528.284   36.139    535.194   51.389    521.524   50.831    62.068  3.0911  61.186  3.1119  0.8816338      4.386237 
1 1 1 -7  -28 30 o 28.166  2.7041  116.344   19.341    91.666    27.830    139.396   26.898    24.909  4.3284  31.423  3.2425  -6.513407      5.408175 
1 1 1 -7  -28 31 o 12.402  3.3625  17.894    15.650    16.245    22.980    19.321    21.373    12.275  4.8072  12.528  4.7029  -0.2529659     6.725030 
1 1 1 -7  -28 32 o 7.5131  2.4998  -23.0259  13.661    -43.8137  20.204    -5.5154   18.543    6.3777  3.1588  8.6485  3.8754  -2.270860      4.999679 
1 1 1 -7  -28 33 o 15.921  3.4020  38.900    16.856    20.476    24.645    55.094    23.106    12.962  5.0052  18.881  4.6091  -5.919838      6.804078 
1 1 1 -7  -28 34 o 7.7971  2.5521  -22.3337  13.542    1.8943    19.471    -45.0315  18.847    9.6391  4.1539  5.9552  2.9663  3.683910       5.104275 
1 1 1 -7  -28 35 o 19.045  3.4954  57.982    18.035    53.088    25.765    62.683    25.252    18.167  5.0909  19.923  4.7909  -1.756256      6.990704 
1 1 1 -7  -28 36 o 12.801  3.4487  21.303    16.525    16.191    23.521    26.285    23.221    12.075  4.8207  13.527  4.9332  -1.452801      6.897480 
1 1 1 -7  -28 37 o 16.009  3.7046  41.401    18.433    35.661    26.184    47.041    25.953    15.070  5.2669  16.948  5.2110  -1.877619      7.409145 
1 1 1 -7  -28 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -28 39 o 19.330  3.1663  59.399    19.543    113.175   28.107    9.0759    27.190    27.182  3.9783  11.478  4.9268  15.70421       6.332533 
1 1 1 -7  -28 40 o 10.606  3.2172  1.5919    17.532    -18.3139  24.678    21.879    24.913    8.6236  4.0727  12.588  4.9815  -3.964055      6.434434 
1 1 1 -7  -28 41 o 14.143  3.5955  31.041    19.229    7.5267    27.287    54.238    27.103    11.016  4.8297  17.269  5.3277  -6.252932      7.190976 
1 1 1 -7  -27 1  o 21.541  2.5675  66.020    14.192    57.398    20.357    74.171    19.795    20.042  3.9325  23.040  3.3020  -2.997265      5.135005 
1 1 1 -7  -27 2  o 21.102  2.5437  62.730    13.765    75.354    19.985    51.336    18.986    23.241  3.3033  18.963  3.8691  4.277891       5.087417 
1 1 1 -7  -27 3  o 53.363  2.0450  388.554   29.034    433.966   41.524    345.117   40.612    56.504  2.7437  50.221  3.0333  6.283264       4.090090 
1 1 1 -7  -27 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -27 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -27 6  o 56.513  2.8505  445.029   37.859    434.270   72.371    449.082   44.422    55.605  4.9096  57.421  2.8977  -1.815922      5.700951 
1 1 1 -7  -27 7  o 23.446  2.5060  76.734    14.799    103.663   21.804    53.735    20.151    27.456  3.0146  19.435  4.0041  8.020430       5.012028 
1 1 1 -7  -27 8  f 25.899  2.3779  92.980    15.918    110.042   22.982    77.248    22.069    28.286  3.0833  23.511  3.6208  4.775702       4.755737 
1 1 1 -7  -27 9  f 29.584  2.1943  120.354   17.038    134.874   24.372    106.476   23.828    31.388  2.9329  27.780  3.2645  3.608131       4.388540 
1 1 1 -7  -27 10 o 57.751  2.0326  452.469   31.441    453.094   44.533    451.848   44.397    57.790  2.8770  57.711  2.8721  0.7828522E-01  4.065233 
1 1 1 -7  -27 11 o 74.107  2.1601  746.383   42.852    777.197   60.727    715.821   60.479    75.651  2.9969  72.563  3.1117  3.087692       4.320214 
1 1 1 -7  -27 12 o 11.158  2.8931  13.344    11.429    18.622    16.695    8.6898    15.678    12.172  4.2084  10.143  3.9711  2.029173       5.786154 
1 1 1 -7  -27 13 o 19.818  2.8964  55.784    14.876    65.094    21.420    47.112    20.674    21.493  3.8629  18.144  4.3168  3.348591       5.792826 
1 1 1 -7  -27 14 o 74.274  2.1695  749.635   43.133    713.995   60.600    786.231   61.407    72.466  3.1221  76.083  3.0133  -3.616539      4.339087 
1 1 1 -7  -27 15 o 27.460  2.4305  104.808   17.271    87.647    24.228    122.539   24.628    25.055  3.7234  29.864  3.1251  -4.808817      4.861024 
1 1 1 -7  -27 16 o 31.891  2.3187  141.878   19.059    172.107   26.820    111.043   27.088    35.509  2.8438  28.272  3.6632  7.237036       4.637461 
1 1 1 -7  -27 17 o 38.428  2.1213  202.081   21.606    185.998   30.477    218.332   30.636    36.850  3.1170  40.007  2.8782  -3.157063      4.242594 
1 1 1 -7  -27 18 o 83.408  2.2550  947.624   50.375    948.180   70.849    947.056   71.638    83.441  3.1701  83.375  3.2079  0.6612396E-01  4.509981 
1 1 1 -7  -27 19 o 56.194  2.0881  430.561   31.310    450.438   43.835    409.858   44.737    57.593  2.8416  54.796  3.0603  2.796734       4.176155 
1 1 1 -7  -27 20 o 49.679  2.0613  336.488   27.300    326.402   38.132    347.095   39.103    48.910  2.9241  50.447  2.9062  -1.537266      4.122661 
1 1 1 -7  -27 21 o 12.513  3.1762  18.817    13.523    19.048    19.768    18.614    18.540    12.637  4.5603  12.389  4.4224  0.2483215      6.352481 
1 1 1 -7  -27 22 o 97.850  2.4586  1312.83   64.433    1316.89   90.748    1308.70   91.501    98.016  3.4566  97.685  3.4971  0.3319016      4.917114 
1 1 1 -7  -27 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -27 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -27 25 o 39.762  3.1824  218.060   33.609    218.060   33.609    0.0000    0.0000    39.762  3.1824  ?       ?       ?              ?        
1 1 1 -7  -27 26 o 24.730  2.6584  86.265    17.017    94.581    24.756    78.816    23.429    25.908  3.6702  23.552  3.8468  2.356230       5.316813 
1 1 1 -7  -27 27 o 20.190  3.1056  59.456    16.347    68.220    23.362    51.047    22.882    21.741  4.1635  18.639  4.6092  3.101990       6.211216 
1 1 1 -7  -27 28 o 49.784  2.1598  341.760   28.560    381.291   41.228    305.287   39.601    52.614  2.9372  46.955  3.1673  5.659187       4.319619 
1 1 1 -7  -27 29 o 12.371  3.2563  16.249    15.370    0.9980    23.214    28.152    20.508    10.570  4.5452  14.173  4.6643  -3.602813      6.512609 
1 1 1 -7  -27 30 o 53.084  2.1677  390.799   30.672    409.127   43.953    373.401   42.823    54.319  3.0331  51.848  3.0977  2.470890       4.335407 
1 1 1 -7  -27 31 o 15.849  3.4164  37.457    15.982    31.076    23.511    42.938    21.791    14.779  4.9970  16.918  4.6602  -2.138614      6.832828 
1 1 1 -7  -27 32 o 13.019  3.3550  21.973    15.217    19.239    22.337    24.341    20.786    12.685  4.7976  13.353  4.6913  -0.6687536     6.710062 
1 1 1 -7  -27 33 o 23.697  2.9445  83.140    17.989    83.818    26.079    82.524    24.848    23.742  4.2573  23.653  4.0688  0.8931351E-01  5.888947 
1 1 1 -7  -27 34 o 30.736  2.5828  136.741   20.843    137.667   29.813    135.856   29.151    30.819  3.6846  30.653  3.6203  0.1662254      5.165535 
1 1 1 -7  -27 35 o 27.655  2.9289  114.131   20.945    102.964   29.427    125.596   29.817    26.115  4.3608  29.195  3.9113  -3.080774      5.857887 
1 1 1 -7  -27 36 o 12.413  3.3081  15.525    16.454    34.896    23.292    -3.7719   23.248    15.041  4.9718  9.7857  4.3654  5.255163       6.616289 
1 1 1 -7  -27 37 o 20.201  3.5049  65.720    19.056    52.229    26.930    79.249    26.968    17.880  5.2671  22.521  4.6255  -4.640841      7.009781 
1 1 1 -7  -27 38 o 22.537  3.4199  81.542    20.110    97.993    28.396    64.989    28.484    25.227  4.3603  19.847  5.2698  5.380091       6.839817 
1 1 1 -7  -27 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -27 40 o 17.418  3.4869  49.446    19.520    81.215    27.447    16.931    27.768    22.414  4.7209  12.421  5.1329  9.992657       6.973801 
1 1 1 -7  -27 41 o 10.646  3.2636  5.4765    17.384    11.804    23.941    -1.5801   25.283    11.237  4.7142  10.056  4.5144  1.180504       6.527103 
1 1 1 -7  -27 42 o 11.413  3.4173  13.130    18.048    11.359    24.960    15.071    26.126    11.142  4.7499  11.684  4.9144  -0.5419827     6.834665 
1 1 1 -7  -26 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -26 2  o 9.7272  2.4853  3.4039    9.8316    23.025    14.740    -12.3205  13.196    12.903  3.9195  6.5515  3.0570  6.351437       4.970672 
1 1 1 -7  -26 3  o 38.313  1.9895  200.155   20.258    192.521   28.774    207.657   28.526    37.568  2.8814  39.057  2.7442  -1.489124      3.979091 
1 1 1 -7  -26 4  o 46.314  2.0014  291.623   24.702    300.377   35.249    283.175   34.628    47.003  2.8128  45.624  2.8478  1.379066       4.002707 
1 1 1 -7  -26 5  o 46.070  1.9816  289.074   24.269    267.528   34.513    310.149   34.134    44.333  2.9229  47.807  2.6764  -3.474651      3.963112 
1 1 1 -7  -26 6  o 81.553  2.2157  902.819   48.393    900.842   68.992    904.734   67.897    81.455  3.1622  81.650  3.1046  -0.1958847     4.431479 
1 1 1 -7  -26 7  o 45.859  2.0127  285.716   24.577    302.578   35.084    269.468   34.439    47.206  2.7871  44.513  2.9044  2.693554       4.025375 
1 1 1 -7  -26 8  o 92.820  2.3651  1170.60   58.792    1195.43   83.804    1146.54   82.500    93.792  3.3359  91.848  3.3535  1.944687       4.730117 
1 1 1 -7  -26 9  o 43.097  1.9923  252.470   22.859    247.429   32.650    257.316   32.014    42.661  2.8741  43.533  2.7598  -0.8724937     3.984564 
1 1 1 -7  -26 10 o 12.767  2.9345  21.591    11.489    22.974    16.670    20.340    15.857    13.086  4.1978  12.447  4.1016  0.6393070      5.868973 
1 1 1 -7  -26 11 o 26.529  2.2997  97.295    15.875    109.208   22.423    85.323    22.479    28.238  3.0110  24.820  3.4767  3.418377       4.599308 
1 1 1 -7  -26 12 o 35.485  2.1074  171.764   19.836    174.498   27.817    168.935   28.295    35.785  2.9277  35.185  3.0320  0.6008072      4.214818 
1 1 1 -7  -26 13 o 35.139  2.0949  169.039   19.426    186.125   27.292    151.494   27.657    36.996  2.7744  33.281  3.1397  3.715321       4.189822 
1 1 1 -7  -26 14 o 41.654  2.0485  236.094   22.613    209.222   31.585    264.349   32.388    39.179  3.0334  44.129  2.7539  -4.949520      4.097024 
1 1 1 -7  -26 15 o 96.399  2.3715  1263.06   61.222    1285.23   86.406    1240.71   86.758    97.264  3.3167  95.534  3.3905  1.729965       4.742939 
1 1 1 -7  -26 16 o 55.269  2.0228  414.503   29.854    425.290   41.654    403.108   42.811    56.066  2.7737  54.472  2.9452  1.593407       4.045679 
1 1 1 -7  -26 17 f 86.149  2.2570  1008.12   52.059    1033.05   73.276    982.710   73.974    87.246  3.1356  85.053  3.2471  2.192909       4.513986 
1 1 1 -7  -26 18 o 36.811  2.1331  184.920   20.835    183.723   28.940    186.209   30.020    36.697  2.9697  36.925  3.0629  -0.2276573     4.266230 
1 1 1 -7  -26 19 o 86.351  2.2742  1013.16   52.586    980.992   73.715    1046.49   75.038    84.947  3.2398  87.756  3.1924  -2.808922      4.548396 
1 1 1 -7  -26 20 o 15.113  3.0297  31.856    13.430    18.815    19.144    44.493    18.845    12.556  4.4926  17.671  4.0661  -5.114618      6.059442 
1 1 1 -7  -26 21 o 84.326  2.2622  967.396   51.092    962.390   71.773    972.539   72.747    84.110  3.1858  84.542  3.2126  -0.4312515     4.524393 
1 1 1 -7  -26 22 o 52.249  2.0375  371.688   28.397    378.308   40.028    364.980   40.291    52.729  2.8447  51.768  2.9176  0.9609489      4.074903 
1 1 1 -7  -26 23 o 43.595  2.0536  259.316   23.839    264.659   33.710    253.970   33.716    44.055  2.8725  43.135  2.9357  0.9197159      4.107259 
1 1 1 -7  -26 24 o 45.825  2.0559  286.608   25.098    294.790   35.664    278.580   35.327    46.484  2.8786  45.166  2.9361  1.317703       4.111834 
1 1 1 -7  -26 25 o 69.782  2.1506  663.931   40.180    640.194   56.712    687.853   56.933    68.510  3.0905  71.055  2.9915  -2.544945      4.301203 
1 1 1 -7  -26 26 o 10.165  2.9702  3.5407    13.273    10.984    19.776    -2.5616   17.906    11.302  4.4491  9.0281  3.9364  2.273504       5.940489 
1 1 1 -7  -26 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -26 28 o 18.995  4.7218  52.842    23.919    52.842    23.919    0.0000    0.0000    18.995  4.7218  ?       ?       ?              ?        
1 1 1 -7  -26 29 o 27.094  2.5758  103.924   18.095    96.137    26.328    110.895   24.910    26.019  3.8979  28.170  3.3681  -2.151670      5.151516 
1 1 1 -7  -26 30 o 17.280  3.3453  43.534    16.068    53.152    23.517    35.113    22.006    18.969  4.6617  15.591  4.7991  3.378191       6.690529 
1 1 1 -7  -26 31 o 25.605  2.7617  94.262    18.236    89.323    26.754    98.547    24.921    24.854  4.1663  26.356  3.6262  -1.502298      5.523356 
1 1 1 -7  -26 32 o 44.905  2.2098  280.927   26.388    274.342   37.813    287.178   36.842    44.345  3.2050  45.464  3.0430  -1.118622      4.419509 
1 1 1 -7  -26 33 o 18.539  3.1292  51.605    17.079    17.780    24.121    85.615    24.187    12.744  4.9432  24.334  3.8381  -11.58959      6.258317 
1 1 1 -7  -26 34 o 12.777  3.2939  19.404    15.337    31.661    21.705    7.1818    21.674    14.691  4.7967  10.863  4.5157  3.827841       6.587808 
1 1 1 -7  -26 35 o 20.025  3.3138  61.535    17.455    63.052    25.027    60.097    24.357    20.263  4.7020  19.788  4.6707  0.4750671      6.627562 
1 1 1 -7  -26 36 o 19.113  3.1977  56.686    17.209    86.431    24.624    28.291    24.059    24.156  3.9417  14.070  5.0362  10.08605       6.395352 
1 1 1 -7  -26 37 o 19.709  3.5215  61.808    18.597    62.699    26.276    60.914    26.325    19.868  4.9544  19.550  5.0057  0.3185787      7.042998 
1 1 1 -7  -26 38 o 7.8068  2.6313  -23.1527  15.221    -24.5280  21.147    -21.6744  21.925    7.6184  3.6464  7.9952  3.7945  -0.3768358     5.262576 
1 1 1 -7  -26 39 o 21.363  3.4929  73.476    19.586    75.170    27.292    71.677    28.124    21.710  4.8191  21.016  5.0574  0.6938782      6.985802 
1 1 1 -7  -26 40 o 14.284  3.9721  26.775    21.706    39.959    35.585    18.964    27.392    15.816  6.0377  12.752  5.1629  3.063824       7.944126 
1 1 1 -7  -26 41 o 17.097  4.0734  46.373    22.627    26.840    29.123    76.125    35.942    13.731  5.4011  20.464  6.0990  -6.733350      8.146741 
1 1 1 -7  -26 42 o 16.705  3.8092  48.149    20.282    31.080    28.394    65.935    28.983    14.038  5.3850  19.373  5.3891  -5.334958      7.618457 
1 1 1 -7  -26 43 o 7.1338  2.4759  -36.3490  16.184    -32.0336  21.582    -41.8937  24.464    7.0703  3.4541  7.1972  3.5483  -0.1268826     4.951874 
1 1 1 -7  -25 1  o 20.314  2.5311  57.739    13.262    60.355    19.113    55.310    18.417    20.771  3.5638  19.856  3.5953  0.9151516      5.062260 
1 1 1 -7  -25 2  o 43.549  1.9960  258.580   22.917    303.967   32.775    215.163   32.056    47.365  2.5933  39.733  3.0351  7.632317       3.992071 
1 1 1 -7  -25 3  o 68.304  2.0778  631.590   38.008    629.996   54.196    633.133   53.317    68.212  2.9663  68.396  2.9104  -0.1835709     4.155616 
1 1 1 -7  -25 4  o 70.769  2.1172  678.441   40.105    657.037   57.109    699.267   56.333    69.650  3.0612  71.888  2.9256  -2.238304      4.234412 
1 1 1 -7  -25 5  o 49.203  1.9567  328.033   25.678    333.347   36.748    322.962   35.895    49.591  2.7778  48.814  2.7567  0.7765541      3.913451 
1 1 1 -7  -25 6  o 36.890  1.9440  185.091   18.983    206.295   27.052    164.522   26.644    39.012  2.6039  34.768  2.8872  4.243999       3.887932 
1 1 1 -7  -25 7  o 36.503  2.0110  181.495   19.380    206.329   27.668    157.572   27.155    39.007  2.6641  33.999  3.0132  5.008114       4.021994 
1 1 1 -7  -25 8  o 18.997  2.5265  50.700    12.359    47.847    17.898    53.300    17.086    18.436  3.7522  19.557  3.3844  -1.120359      5.052999 
1 1 1 -7  -25 9  o 87.016  2.2583  1025.21   52.632    1039.53   74.789    1011.17   74.083    87.619  3.1867  86.412  3.2008  1.207237       4.516671 
1 1 1 -7  -25 10 o 42.557  1.9647  245.525   22.270    240.133   31.238    251.097   31.756    42.079  2.7874  43.036  2.7696  -0.9572716     3.929430 
1 1 1 -7  -25 11 o 22.343  2.4910  69.345    14.394    74.096    20.479    64.707    20.236    23.141  3.4060  21.546  3.6359  1.595079       4.981992 
1 1 1 -7  -25 12 o 67.307  2.0503  612.039   36.953    592.604   51.887    632.043   52.640    66.218  2.9255  68.396  2.8734  -2.178894      4.100596 
1 1 1 -7  -25 13 o 66.356  2.0460  594.837   36.359    584.011   50.969    606.055   51.883    65.741  2.8946  66.970  2.8924  -1.229637      4.091986 
1 1 1 -7  -25 14 o 151.388 3.1865  3136.93   129.207   3128.37   182.691   3145.50   182.762   151.177 4.5117  151.598 4.5009  -0.4211426     6.372919 
1 1 1 -7  -25 15 o 27.113  2.3242  101.161   16.419    88.141    22.960    114.787   23.488    25.257  3.4868  28.968  3.0742  -3.710844      4.648457 
1 1 1 -7  -25 16 o 46.184  1.9681  289.785   24.176    304.932   33.731    273.787   34.667    47.455  2.6646  44.912  2.8972  2.542507       3.936226 
1 1 1 -7  -25 17 o 45.855  1.9942  284.874   24.356    269.971   33.841    300.888   35.080    44.602  2.8476  47.108  2.7927  -2.505566      3.988463 
1 1 1 -7  -25 18 o 89.039  2.2755  1075.20   54.248    1095.60   76.177    1054.21   77.271    89.915  3.1630  88.164  3.2722  1.750893       4.551022 
1 1 1 -7  -25 19 o 58.965  1.9988  469.939   31.559    454.579   44.077    486.096   45.207    57.975  2.8385  59.955  2.8151  -1.980881      3.997692 
1 1 1 -7  -25 20 o 57.158  2.0072  442.968   30.644    457.459   42.955    427.950   43.730    58.164  2.7572  56.151  2.9176  2.012558       4.014328 
1 1 1 -7  -25 21 o 31.725  2.1901  138.447   18.221    156.180   25.684    120.479   25.854    33.850  2.8596  29.601  3.3179  4.248281       4.380147 
1 1 1 -7  -25 22 o 38.828  2.0446  205.720   20.984    179.563   29.415    232.824   29.943    36.259  3.0573  41.398  2.7154  -5.139153      4.089104 
1 1 1 -7  -25 23 o 18.331  2.9596  48.086    14.253    41.492    20.317    54.475    19.999    17.046  4.4147  19.616  3.9432  -2.569851      5.919294 
1 1 1 -7  -25 24 o 38.077  2.1105  199.362   21.132    169.892   30.054    228.181   29.720    35.197  3.2237  40.957  2.7247  -5.759991      4.220915 
1 1 1 -7  -25 25 o 12.981  2.5814  18.094    12.325    -12.9879  17.940    45.877    16.961    7.9543  3.6597  18.007  3.6417  -10.05261      5.162889 
1 1 1 -7  -25 26 o 35.306  2.1235  170.562   19.854    184.546   28.534    157.439   27.642    36.738  2.9240  33.875  3.0801  2.862228       4.246954 
1 1 1 -7  -25 27 o 51.993  2.0532  368.682   28.472    379.655   40.717    358.182   39.830    52.755  2.8925  51.230  2.9147  1.525257       4.106365 
1 1 1 -7  -25 28 o 63.536  2.1113  550.559   35.912    546.305   51.482    554.591   50.120    63.277  3.0375  63.795  2.9332  -0.5177422     4.222580 
1 1 1 -7  -25 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -25 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -25 31 o 10.981  3.0982  9.3442    13.889    3.9964    20.054    14.274    19.254    10.309  4.3192  11.654  4.4430  -1.344455      6.196451 
1 1 1 -7  -25 32 o 60.634  2.1480  506.619   34.825    513.787   49.730    499.721   48.783    61.089  3.0393  60.179  3.0362  0.9097710      4.296023 
1 1 1 -7  -25 33 o 28.191  2.6744  113.124   19.656    121.121   28.276    105.646   27.343    29.205  3.6975  27.178  3.8651  2.027428       5.348860 
1 1 1 -7  -25 34 o 10.358  3.0643  3.5684    14.639    -5.9069   21.178    12.238    20.258    9.3333  4.1648  11.383  4.4960  -2.049314      6.128648 
1 1 1 -7  -25 35 o 15.775  3.4626  37.266    16.167    38.586    22.785    35.928    22.943    16.016  4.8749  15.534  4.9187  0.4821625      6.925177 
1 1 1 -7  -25 36 o 12.324  3.1608  10.841    16.197    -18.1522  23.031    39.218    22.784    8.6151  4.0261  16.033  4.8736  -7.417774      6.321553 
1 1 1 -7  -25 37 o 8.6896  2.7823  -15.0057  14.742    -33.4678  20.416    5.1098    21.310    6.9450  3.3855  10.434  4.4162  -3.489256      5.564561 
1 1 1 -7  -25 38 o 14.437  3.3601  28.928    16.922    50.308    23.507    5.9350    24.378    17.858  4.8079  11.016  4.6952  6.841450       6.720141 
1 1 1 -7  -25 39 o 16.013  3.5177  39.785    17.574    56.689    25.058    23.419    24.655    18.808  4.9183  13.219  5.0306  5.588995       7.035383 
1 1 1 -7  -25 40 o 15.468  3.5371  36.045    18.676    11.303    26.871    59.167    25.976    11.866  4.9870  19.071  5.0175  -7.205783      7.074265 
1 1 1 -7  -25 41 o 14.805  3.3457  28.060    18.481    -7.4222   26.137    63.540    26.136    9.8851  4.4984  19.725  4.9538  -9.840027      6.691466 
1 1 1 -7  -25 42 o 8.2800  3.9525  -24.2429  24.497    -24.2429  24.497    0.0000    0.0000    8.2800  3.9525  ?       ?       ?              ?        
1 1 1 -7  -25 43 o 10.439  3.2135  -9.9969   18.493    -38.5625  24.665    26.675    27.947    7.4596  3.6545  13.418  5.2868  -5.958109      6.426934 
1 1 1 -7  -25 44 o 15.329  3.8871  41.847    21.383    58.802    29.844    23.962    30.652    17.677  5.6112  12.981  5.3808  4.696584       7.774194 
1 1 1 -7  -24 1  o 50.487  1.9661  345.355   26.482    345.685   37.716    345.035   37.192    50.507  2.7989  50.467  2.7619  0.3972626E-01  3.932156 
1 1 1 -7  -24 2  o 74.519  2.1362  751.134   42.557    813.014   60.758    691.537   59.627    77.555  2.9249  71.483  3.1142  6.072235       4.272397 
1 1 1 -7  -24 3  o 14.254  2.6988  28.566    10.509    29.092    14.999    28.060    14.728    14.377  3.8273  14.130  3.8061  0.2476835      5.397616 
1 1 1 -7  -24 4  o 40.668  1.9266  224.111   20.864    226.838   29.652    221.436   29.362    40.915  2.7212  40.422  2.7279  0.4934196      3.853143 
1 1 1 -7  -24 5  o 17.943  2.5758  45.950    11.943    34.403    17.138    56.854    16.654    15.616  4.0597  20.270  3.1713  -4.654226      5.151501 
1 1 1 -7  -24 6  o 70.018  2.0540  661.660   38.520    669.472   54.821    654.042   54.135    70.426  2.9062  69.610  2.9035  0.8157806      4.108067 
1 1 1 -7  -24 7  o 84.446  2.2553  963.696   51.003    991.042   72.547    936.970   71.719    85.637  3.1627  83.256  3.2161  2.381668       4.510696 
1 1 1 -7  -24 8  o 34.219  2.0118  158.958   18.258    167.044   26.057    151.158   25.592    35.088  2.7957  33.351  2.8936  1.737171       4.023558 
1 1 1 -7  -24 9  o 96.425  2.3516  1257.08   60.711    1304.51   86.210    1210.42   85.511    98.242  3.2762  94.607  3.3745  3.635635       4.703277 
1 1 1 -7  -24 10 o 56.892  1.9672  436.378   29.974    442.464   42.257    430.215   42.523    57.296  2.7535  56.489  2.8104  0.8061142      3.934479 
1 1 1 -7  -24 11 o 42.334  1.9670  242.557   22.174    241.066   30.979    244.124   31.753    42.204  2.7556  42.464  2.8076  -0.2595901     3.933954 
1 1 1 -7  -24 12 o 31.202  2.0551  132.292   16.968    127.053   23.609    137.890   24.403    30.556  2.9203  31.848  2.8923  -1.292454      4.110152 
1 1 1 -7  -24 13 o 20.522  2.6550  60.924    13.779    37.642    19.657    83.415    19.320    16.354  4.3938  24.690  2.9819  -8.335485      5.310086 
1 1 1 -7  -24 14 o 53.734  1.9593  390.047   28.096    382.073   39.194    398.475   40.296    53.170  2.7616  54.299  2.7800  -1.128990      3.918536 
1 1 1 -7  -24 15 o 62.059  1.9869  519.265   33.017    517.085   46.121    521.557   47.289    61.930  2.7804  62.188  2.8390  -0.2584114     3.973723 
1 1 1 -7  -24 16 o 68.767  2.0442  638.269   37.632    646.750   52.596    629.374   53.866    69.245  2.8358  68.289  2.9449  0.9555664      4.088329 
1 1 1 -7  -24 17 o 25.201  2.3954  88.700    15.458    103.518   21.462    72.726    22.283    27.537  2.9561  22.864  3.7700  4.672503       4.790787 
1 1 1 -7  -24 18 o 73.863  2.0920  736.637   41.384    725.326   57.997    748.370   59.068    73.287  2.9546  74.440  2.9625  -1.153412      4.183996 
1 1 1 -7  -24 19 o 46.105  1.9333  287.661   23.760    279.032   33.216    296.703   34.000    45.393  2.7449  46.817  2.7232  -1.424232      3.866503 
1 1 1 -7  -24 20 o 26.125  2.3198  94.098    15.805    102.359   22.257    85.696    22.446    27.339  3.0939  24.911  3.4573  2.428221       4.639574 
1 1 1 -7  -24 21 o 105.036 2.4875  1497.93   69.974    1468.12   98.694    1528.06   99.224    103.975 3.5438  106.098 3.4916  -2.122833      4.974940 
1 1 1 -7  -24 22 o 77.836  2.1369  820.141   44.551    820.756   62.869    819.521   63.142    77.868  3.0143  77.805  3.0298  0.6288910E-01  4.273892 
1 1 1 -7  -24 23 o 45.387  1.9723  279.597   23.853    288.746   33.858    270.581   33.611    46.135  2.7525  44.639  2.8256  1.495369       3.944691 
1 1 1 -7  -24 24 o 64.907  2.0556  570.579   35.734    568.749   50.779    572.375   50.297    64.800  2.9256  65.015  2.8883  -0.2155151     4.111131 
1 1 1 -7  -24 25 o 48.269  1.9839  316.335   25.509    337.239   36.544    296.468   35.625    49.843  2.7479  46.696  2.8621  3.146660       3.967715 
1 1 1 -7  -24 26 o 31.801  2.1711  138.785   18.218    134.853   26.431    142.344   25.147    31.338  3.1934  32.264  2.9422  -0.9256439     4.342165 
1 1 1 -7  -24 27 o 61.853  2.0542  518.966   34.021    534.813   48.861    504.054   47.398    62.768  2.9062  60.937  2.9040  1.831139       4.108436 
1 1 1 -7  -24 28 o 11.239  3.0295  12.086    12.671    16.540    18.849    8.4126    17.116    12.081  4.4387  10.396  4.1243  1.685175       6.059037 
1 1 1 -7  -24 29 o 15.027  3.2460  31.374    14.253    35.722    21.171    27.770    19.274    15.851  4.6702  14.202  4.5095  1.649364       6.492076 
1 1 1 -7  -24 30 o 7.9308  2.4931  -14.4866  11.738    5.8724    16.864    -33.6158  16.347    9.9137  4.0373  5.9479  2.9261  3.965795       4.986202 
1 1 1 -7  -24 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -24 32 o 57.803  3.0801  459.574   47.516    459.574   47.516    0.0000    0.0000    57.803  3.0801  ?       ?       ?              ?        
1 1 1 -7  -24 33 f 74.884  2.2746  774.112   45.573    738.782   64.748    808.799   64.156    73.128  3.3056  76.639  3.1253  -3.511299      4.549182 
1 1 1 -7  -24 34 o 14.608  3.0273  25.480    15.519    56.488    21.958    -5.4689   21.937    19.616  4.2980  9.6012  4.2644  10.01437       6.054592 
1 1 1 -7  -24 35 o 36.118  2.3727  183.138   22.666    194.474   32.533    172.445   31.597    37.240  3.2956  34.995  3.4144  2.245430       4.745442 
1 1 1 -7  -24 36 o 15.060  3.5659  32.635    17.081    26.450    24.030    38.950    24.284    14.004  5.0310  16.117  5.0548  -2.113766      7.131716 
1 1 1 -7  -24 37 o 15.296  3.4191  34.300    16.501    48.568    23.159    19.587    23.517    17.781  4.7657  12.810  4.9040  4.971531       6.838193 
1 1 1 -7  -24 38 f 30.537  2.7011  136.319   21.567    144.899   30.572    127.818   30.430    31.592  3.6820  29.482  3.9531  2.110636       5.402243 
1 1 1 -7  -24 39 o 23.558  3.3280  86.126    20.261    79.825    28.329    92.726    28.990    22.569  4.8321  24.547  4.5776  -1.977901      6.656038 
1 1 1 -7  -24 40 o 16.054  3.7415  40.954    19.418    54.001    26.764    26.453    28.216    18.189  5.2204  13.920  5.3611  4.268441       7.482920 
1 1 1 -7  -24 41 o 17.513  3.4981  50.009    19.442    77.451    26.591    18.489    28.498    22.158  4.6296  12.869  5.2453  9.289558       6.996199 
1 1 1 -7  -24 42 o 30.363  3.4966  143.581   27.088    177.559   42.690    120.680   35.047    33.343  4.9285  27.382  4.9612  5.961330       6.993135 
1 1 1 -7  -24 43 o 11.729  3.5106  9.7201    19.746    22.933    27.131    -5.1632   28.794    13.046  5.1872  10.413  4.7319  2.633662       7.021278 
1 1 1 -7  -24 44 o 17.152  3.8789  50.554    21.686    26.325    29.682    78.295    31.761    13.423  5.3955  20.881  5.5743  -7.458192      7.757858 
1 1 1 -7  -24 45 o 25.524  3.8478  118.876   25.680    91.508    36.135    146.804   36.503    21.611  6.0195  29.437  4.7946  -7.826735      7.695573 
1 1 1 -7  -23 1  o 88.104  2.2778  1049.42   53.717    1101.71   76.535    998.640   75.411    90.282  3.1650  85.927  3.2766  4.355347       4.555546 
1 1 1 -7  -23 2  o 32.489  1.9640  143.338   16.923    143.045   24.178    143.620   23.696    32.451  2.8093  32.527  2.7455  -0.7578659E-01 3.928074 
1 1 1 -7  -23 3  o 77.970  2.1237  820.104   44.348    828.120   63.170    812.314   62.275    78.344  3.0103  77.596  2.9963  0.7486038      4.247343 
1 1 1 -7  -23 4  o 47.203  1.9361  301.094   24.373    304.988   34.703    297.304   34.238    47.506  2.7389  46.901  2.7373  0.6040306      3.872271 
1 1 1 -7  -23 5  o 40.825  1.9164  225.362   20.826    235.394   29.648    215.592   29.259    41.732  2.6664  39.918  2.7534  1.813995       3.832864 
1 1 1 -7  -23 6  o 76.461  2.1179  787.844   43.340    829.839   61.731    747.023   60.863    78.480  2.9367  74.443  3.0524  4.036957       4.235735 
1 1 1 -7  -23 7  o 14.334  2.7507  28.194    10.844    34.289    16.291    23.344    14.531    15.618  3.9047  13.050  3.8754  2.567986       5.501423 
1 1 1 -7  -23 8  o 53.846  1.9410  391.242   27.873    422.135   39.500    360.603   39.337    56.017  2.6326  51.676  2.8530  4.340984       3.882083 
1 1 1 -7  -23 9  f 86.450  2.2226  1007.43   51.433    1051.25   72.901    963.996   72.576    88.333  3.0812  84.567  3.2041  3.765800       4.445210 
1 1 1 -7  -23 10 o 123.610 2.7170  2065.06   89.956    2082.38   127.388   2047.83   127.048   124.130 3.8314  123.090 3.8535  1.040344       5.434081 
1 1 1 -7  -23 11 o 28.382  2.1578  109.656   16.129    103.351   22.516    116.300   23.115    27.526  3.1083  29.238  2.9939  -1.711769      4.315669 
1 1 1 -7  -23 12 o 78.803  2.1240  836.446   44.823    847.566   63.033    825.071   63.751    79.338  2.9662  78.268  3.0410  1.070732       4.248055 
1 1 1 -7  -23 13 o 90.779  2.2537  1110.42   54.793    1087.09   76.985    1134.37   78.003    89.811  3.2003  91.747  3.1741  -1.936630      4.507452 
1 1 1 -7  -23 14 o 57.122  1.9412  439.115   29.688    440.763   41.422    437.374   42.571    57.237  2.7019  57.008  2.7880  0.2289009      3.882393 
1 1 1 -7  -23 15 o 101.754 2.3874  1396.57   65.049    1349.02   91.321    1445.54   92.679    99.989  3.4098  103.519 3.3425  -3.530296      4.774841 
1 1 1 -7  -23 16 o 93.399  2.3014  1176.38   57.569    1160.57   80.836    1192.65   82.006    92.762  3.2534  94.035  3.2559  -1.272881      4.602775 
1 1 1 -7  -23 17 o 163.061 3.3492  3616.78   146.279   3611.00   206.395   3622.60   207.348   162.934 4.7293  163.188 4.7438  -0.2539063     6.698469 
1 1 1 -7  -23 18 o 60.692  1.9772  495.916   32.108    464.908   44.884    528.414   45.950    58.743  2.8526  62.641  2.7386  -3.898304      3.954416 
1 1 1 -7  -23 19 o 81.695  2.1556  900.102   47.148    864.378   66.166    936.951   67.200    80.041  3.0863  83.349  3.0101  -3.307396      4.311114 
1 1 1 -7  -23 20 o 36.222  2.0043  178.165   19.249    165.261   27.199    191.112   27.245    34.882  2.9385  37.563  2.7265  -2.680805      4.008537 
1 1 1 -7  -23 21 f 68.525  2.0302  633.473   37.261    626.889   52.553    640.129   52.839    68.166  2.8783  68.884  2.8638  -0.7186127     4.060342 
1 1 1 -7  -23 22 o 82.272  2.1896  914.849   48.251    914.018   68.192    915.681   68.283    82.235  3.0959  82.309  3.0972  -0.7444763E-01 4.379210 
1 1 1 -7  -23 23 o 115.744 2.6168  1819.85   81.115    1784.53   114.742   1855.14   114.686   114.605 3.7379  116.883 3.6633  -2.278206      5.233699 
1 1 1 -7  -23 24 o 58.575  1.9579  463.477   30.714    461.928   43.738    464.984   43.139    58.474  2.7926  58.676  2.7449  -0.2017136     3.915762 
1 1 1 -7  -23 25 o 39.603  2.0117  213.639   21.145    203.414   30.448    223.164   29.387    38.657  2.9632  40.550  2.7215  -1.892780      4.023329 
1 1 1 -7  -23 26 o 55.223  1.9876  413.639   29.293    415.426   41.978    411.944   40.897    55.332  2.8420  55.114  2.7793  0.2174454      3.975160 
1 1 1 -7  -23 27 o 34.821  2.0978  166.598   19.237    150.955   27.891    180.793   26.569    33.192  3.1759  36.449  2.7415  -3.256664      4.195502 
1 1 1 -7  -23 28 o 44.163  2.0267  265.472   23.815    266.549   34.566    264.499   32.858    44.231  2.9343  44.094  2.7965  0.1368561      4.053455 
1 1 1 -7  -23 29 o 84.336  2.2543  968.566   50.911    962.901   72.665    974.028   71.351    84.077  3.2267  84.595  3.1490  -0.5182724     4.508617 
1 1 1 -7  -23 30 o 19.364  2.9349  53.505    14.777    60.500    21.312    47.029    20.506    20.634  4.0005  18.094  4.2953  2.539516       5.869770 
1 1 1 -7  -23 31 o 61.831  2.0834  520.715   34.498    524.227   49.325    517.352   48.267    62.027  2.9689  61.635  2.9237  0.3921471      4.166865 
1 1 1 -7  -23 32 o 7.1118  2.3959  -24.0856  12.671    -32.6327  17.510    -14.6888  18.360    6.3383  3.0996  7.8853  3.6543  -1.546934      4.791793 
1 1 1 -7  -23 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -23 34 o 33.679  2.4607  158.326   21.798    175.564   31.431    142.353   30.256    35.513  3.3438  31.845  3.6109  3.667213       4.921335 
1 1 1 -7  -23 35 o 20.783  3.1912  64.724    17.527    87.462    24.763    41.900    24.810    24.721  3.8665  16.845  5.0779  7.875319       6.382411 
1 1 1 -7  -23 36 o 49.145  2.2327  336.389   29.233    336.430   41.563    336.349   41.124    49.137  3.1750  49.152  3.1401  -0.1490021E-01 4.465494 
1 1 1 -7  -23 37 o 36.903  2.5425  195.100   24.431    161.456   34.623    228.461   34.477    33.475  3.9368  40.331  3.2184  -6.856155      5.084909 
1 1 1 -7  -23 38 o 24.266  3.1927  90.986    19.687    128.843   28.033    54.145    27.654    29.951  3.5644  18.581  5.2979  11.36974       6.385365 
1 1 1 -7  -23 39 o 40.711  2.5085  238.796   27.026    224.263   38.294    253.219   38.148    39.367  3.6742  42.055  3.4161  -2.688354      5.016975 
1 1 1 -7  -23 40 o 30.240  2.9207  136.689   23.019    129.865   32.129    143.887   32.997    29.405  4.1984  31.075  4.0615  -1.669563      5.841475 
1 1 1 -7  -23 41 o 14.304  3.3962  27.288    17.957    52.938    24.669    -1.6215   26.190    18.126  4.9442  10.483  4.6575  7.643773       6.792472 
1 1 1 -7  -23 42 f 13.732  3.6741  26.764    18.525    23.608    25.466    30.311    26.999    13.206  5.0912  14.257  5.2986  -1.050262      7.348163 
1 1 1 -7  -23 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -23 44 f 17.019  3.9402  50.767    20.907    58.897    29.657    42.735    29.478    18.262  5.5623  15.777  5.5823  2.484973       7.880404 
1 1 1 -7  -23 45 o 11.990  3.5048  13.015    19.211    -4.3405   26.332    32.769    28.091    9.8990  4.5088  14.082  5.3671  -4.182611      7.009642 
1 1 1 -7  -23 46 o 16.094  3.8097  43.632    22.229    9.9635    30.149    83.735    32.904    11.377  5.0289  20.811  5.7241  -9.433847      7.619354 
1 1 1 -7  -22 1  o 138.967 2.9736  2618.38   110.616   2739.28   157.256   2499.97   155.626   142.173 4.1295  135.762 4.2797  6.411377       5.947183 
1 1 1 -7  -22 2  o 160.362 3.2968  3492.13   141.581   3581.17   201.117   3404.65   199.345   162.407 4.6233  158.318 4.7010  4.089737       6.593508 
1 1 1 -7  -22 3  o 98.835  2.3845  1317.25   63.117    1307.14   89.781    1327.13   88.749    98.453  3.4046  99.216  3.3396  -0.7629089     4.769080 
1 1 1 -7  -22 4  f 67.386  2.0088  610.892   36.233    640.868   51.553    581.629   50.936    69.025  2.7884  65.747  2.8924  3.278343       4.017593 
1 1 1 -7  -22 5  o 88.213  2.2386  1047.52   52.887    1070.05   75.225    1025.50   74.369    89.153  3.1502  87.273  3.1814  1.880104       4.477200 
1 1 1 -7  -22 6  o 62.993  1.9750  533.500   33.323    535.273   47.242    531.743   47.009    63.097  2.7953  62.889  2.7908  0.2079887      3.949963 
1 1 1 -7  -22 7  o 51.374  1.9563  356.048   26.790    374.211   37.854    337.821   37.921    52.700  2.6907  50.047  2.8406  2.652966       3.912621 
1 1 1 -7  -22 8  o 75.905  2.1359  777.300   43.203    869.450   61.197    685.745   60.999    80.422  2.8410  71.387  3.1902  9.034706       4.271801 
1 1 1 -7  -22 9  o 83.470  2.8534  965.812   58.514    1007.67   71.045    877.527   103.175   86.557  3.0644  80.383  4.8142  6.173866       5.706759 
1 1 1 -7  -22 10 o 67.978  3.8884  625.077   70.506    625.077   70.506    0.0000    0.0000    67.978  3.8884  ?       ?       ?              ?        
1 1 1 -7  -22 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -22 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -22 13 o 32.089  4.2349  141.372   35.509    141.372   35.509    0.0000    0.0000    32.089  4.2349  ?       ?       ?              ?        
1 1 1 -7  -22 14 o 138.476 4.2396  2619.21   156.708   2758.32   216.920   2467.37   226.638   142.449 5.6853  134.504 6.2908  7.945038       8.479210 
1 1 1 -7  -22 15 o 59.516  1.9624  475.784   31.271    462.867   43.511    489.583   44.973    58.682  2.7683  60.351  2.7822  -1.668663      3.924763 
1 1 1 -7  -22 16 o 210.456 4.1525  6033.30   234.072   5973.66   330.503   6093.33   331.554   209.401 5.8926  211.512 5.8524  -2.111511      8.304995 
1 1 1 -7  -22 17 o 62.792  1.9714  530.682   33.125    550.312   46.484    510.431   47.215    63.980  2.7125  61.605  2.8614  2.375187       3.942741 
1 1 1 -7  -22 18 o 77.672  2.0762  811.601   43.188    791.705   60.605    832.128   61.559    76.703  2.9499  78.641  2.9225  -1.937241      4.152448 
1 1 1 -7  -22 19 o 33.203  2.0124  149.665   17.674    137.496   24.989    161.844   25.000    31.824  2.9659  34.582  2.7209  -2.758642      4.024889 
1 1 1 -7  -22 20 o 67.435  1.9883  612.023   35.911    602.009   50.568    622.211   51.006    66.877  2.8230  67.993  2.8007  -1.115601      3.976586 
1 1 1 -7  -22 21 o 61.880  1.9388  515.463   32.134    515.635   45.441    515.290   45.448    61.891  2.7412  61.870  2.7425  0.2085114E-01  3.877542 
1 1 1 -7  -22 22 o 72.480  2.0399  708.021   39.583    736.459   56.190    680.005   55.771    73.932  2.8375  71.028  2.9315  2.904556       4.079844 
1 1 1 -7  -22 23 o 60.652  1.9664  495.463   31.913    527.608   45.748    464.992   44.541    62.574  2.7296  58.730  2.8314  3.843987       3.932874 
1 1 1 -7  -22 24 o 45.686  1.9437  282.166   23.662    294.104   34.059    271.029   32.897    46.624  2.7394  44.748  2.7582  1.876007       3.887356 
1 1 1 -7  -22 25 o 35.135  2.0474  167.558   19.077    177.611   27.555    158.303   26.438    36.157  2.8689  34.113  2.9217  2.044231       4.094737 
1 1 1 -7  -22 26 o 28.816  2.1740  113.202   16.463    126.101   24.015    101.765   22.613    30.393  2.9887  27.239  3.1580  3.153776       4.347985 
1 1 1 -7  -22 27 o 49.139  1.9557  326.785   25.595    353.631   37.023    302.207   35.424    51.086  2.7155  47.193  2.8152  3.892578       3.911448 
1 1 1 -7  -22 28 o 33.965  2.0973  156.996   18.793    178.861   27.349    137.435   25.867    36.242  2.8400  31.688  3.0868  4.553549       4.194510 
1 1 1 -7  -22 29 o 20.715  2.6812  60.425    14.252    73.865    20.613    48.117    19.726    23.047  3.4450  18.383  4.1095  4.663853       5.362482 
1 1 1 -7  -22 30 o 27.503  2.4754  104.911   17.515    128.575   25.403    83.469    24.181    30.593  3.1449  24.412  3.8236  6.180561       4.950769 
1 1 1 -7  -22 31 o 24.837  2.6126  87.107    16.640    73.626    23.872    99.849    23.208    22.810  4.0559  26.864  3.2944  -4.054071      5.225254 
1 1 1 -7  -22 32 o 55.591  2.1021  421.999   31.180    423.270   44.561    420.780   43.644    55.663  2.9998  55.518  2.9454  0.1448059      4.204129 
1 1 1 -7  -22 33 o 12.579  3.1832  17.597    14.212    6.5027    19.952    29.023    20.248    10.681  4.3754  14.477  4.6247  -3.795788      6.366478 
1 1 1 -7  -22 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -22 35 o 23.449  3.0797  81.283    18.408    102.785   25.733    58.749    26.343    26.992  3.6531  19.905  4.9591  7.087429       6.159389 
1 1 1 -7  -22 36 o 31.825  2.6339  143.427   21.933    157.282   31.167    129.832   30.872    33.450  3.5320  30.199  3.9083  3.251091       5.267855 
1 1 1 -7  -22 37 o 18.543  3.4648  51.269    17.847    67.144    25.937    36.994    24.595    21.197  4.6922  15.888  5.0993  5.309216       6.929563 
1 1 1 -7  -22 38 o 35.285  2.5274  177.090   23.538    185.867   33.649    168.680   32.939    36.180  3.5167  34.389  3.6310  1.790848       5.054796 
1 1 1 -7  -22 39 o 31.686  2.9683  150.896   23.231    101.159   32.723    201.434   32.985    25.697  4.9336  37.675  3.3020  -11.97775      5.936676 
1 1 1 -7  -22 40 o 11.255  3.1749  2.8756    16.045    -18.4680  21.449    29.994    24.177    8.1702  3.8396  14.340  5.0575  -6.169895      6.349852 
1 1 1 -7  -22 41 o 9.4967  3.0084  -7.0854   16.061    -17.3618  22.164    4.2775    23.307    8.3773  3.9260  10.616  4.5593  -2.238757      6.016756 
1 1 1 -7  -22 42 o 20.243  3.6819  67.252    20.396    52.715    28.580    82.340    29.116    17.803  5.4674  22.683  4.9329  -4.879881      7.363862 
1 1 1 -7  -22 43 o 17.855  3.8796  53.978    20.437    58.250    28.163    49.228    29.702    18.631  5.3574  17.080  5.6128  1.550812       7.759188 
1 1 1 -7  -22 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -22 45 o 17.801  4.0121  57.013    22.913    77.824    31.968    35.024    32.860    20.909  5.5971  14.692  5.7499  6.216784       8.024278 
1 1 1 -7  -22 46 o 22.447  3.8073  93.282    26.142    36.182    36.325    154.624   37.650    14.525  5.9215  30.369  4.7872  -15.84353      7.614502 
1 1 1 -7  -21 1  o 131.706 2.8441  2342.33   100.314   2305.21   142.459   2378.85   141.278   130.658 4.0707  132.754 3.9732  -2.096329      5.688284 
1 1 1 -7  -21 2  o 40.947  1.9190  226.349   20.921    232.102   29.519    220.542   29.655    41.477  2.6713  40.417  2.7558  1.060226       3.837997 
1 1 1 -7  -21 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -21 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -21 5  o 20.982  4.1903  61.435    22.725    0.0000    0.0000    61.435    22.725    ?       ?       20.982  4.1903  ?              ?        
1 1 1 -7  -21 6  o 108.246 2.4913  1576.22   72.228    1595.73   102.564   1557.01   101.734   108.912 3.5159  107.580 3.5305  1.331551       4.982574 
1 1 1 -7  -21 7  o 121.082 2.6656  1973.24   86.440    2014.11   122.591   1932.83   121.900   122.334 3.7413  119.831 3.7979  2.502747       5.331203 
1 1 1 -7  -21 8  o 133.775 2.8367  2409.96   101.640   2388.99   143.895   2430.83   143.586   133.190 4.0335  134.360 3.9898  -1.169357      5.673449 
1 1 1 -7  -21 9  o 141.537 2.9382  2698.44   111.389   2704.84   157.629   2692.04   157.426   141.706 4.1530  141.369 4.1575  0.3364716      5.876419 
1 1 1 -7  -21 10 o 167.265 3.3934  3775.58   152.028   3783.56   214.919   3767.59   215.083   167.444 4.7920  167.087 4.8059  0.3575592      6.786739 
1 1 1 -7  -21 11 o 114.970 2.5509  1777.78   78.551    1763.34   110.692   1792.44   111.489   114.499 3.6093  115.440 3.6057  -0.9412689     5.101752 
1 1 1 -7  -21 12 o 175.239 3.4813  4145.97   163.400   4157.07   230.752   4134.81   231.414   175.478 4.9095  174.999 4.9370  0.4782715      6.962533 
1 1 1 -7  -21 13 o 218.429 4.2462  6467.85   248.427   6428.68   350.914   6507.20   351.745   217.761 6.0163  219.096 5.9938  -1.335800      8.492475 
1 1 1 -7  -21 14 o 103.557 2.4005  1441.62   66.569    1401.21   93.419    1483.32   94.884    102.080 3.4167  105.034 3.3727  -2.953819      4.800903 
1 1 1 -7  -21 15 o 52.056  1.9131  364.879   26.565    365.918   36.933    363.765   38.239    52.138  2.6534  51.974  2.7567  0.1644669      3.826227 
1 1 1 -7  -21 16 o 128.103 2.7597  2210.43   94.685    2227.54   133.436   2193.07   134.378   128.607 3.8736  127.598 3.9318  1.009613       5.519438 
1 1 1 -7  -21 17 o 114.511 3.6222  1777.10   110.867   1720.03   160.417   1829.28   153.398   112.704 5.3140  116.319 4.9236  -3.614586      7.244335 
1 1 1 -7  -21 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -21 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -21 20 o 42.904  3.1461  261.968   33.540    292.435   42.816    213.573   53.962    46.468  3.4649  39.340  5.2523  7.128017       6.292282 
1 1 1 -7  -21 21 o 7.5165  2.3031  -14.4806  10.355    -41.2805  15.305    8.1445    14.063    5.2802  2.6370  9.7528  3.7768  -4.472579      4.606244 
1 1 1 -7  -21 22 o 93.574  2.2807  1179.75   57.150    1213.06   81.073    1146.84   80.573    94.894  3.1897  92.255  3.2607  2.638657       4.561401 
1 1 1 -7  -21 23 o 53.472  1.9153  385.215   27.377    385.887   39.196    384.575   38.255    53.480  2.7455  53.465  2.6714  0.1500702E-01  3.830682 
1 1 1 -7  -21 24 o 88.329  2.2378  1052.11   52.936    1071.70   75.553    1033.22   74.192    89.136  3.1645  87.521  3.1649  1.614922       4.475554 
1 1 1 -7  -21 25 o 41.442  1.9607  232.212   21.627    240.413   31.204    224.629   30.003    42.148  2.7797  40.736  2.7661  1.411091       3.921469 
1 1 1 -7  -21 26 o 14.457  2.5646  26.431    12.653    -6.9821   18.380    56.532    17.445    8.7310  3.8892  20.183  3.3441  -11.45205      5.129235 
1 1 1 -7  -21 27 o 45.400  1.9749  279.309   23.873    278.400   34.524    280.143   33.048    45.316  2.8589  45.483  2.7253  -0.1671600     3.949788 
1 1 1 -7  -21 28 o 42.393  1.9978  243.842   22.533    246.125   32.652    241.765   31.136    42.572  2.8804  42.214  2.7691  0.3580246      3.995589 
1 1 1 -7  -21 29 o 51.932  2.0071  366.686   27.754    350.089   39.921    382.212   38.612    50.763  2.9488  53.102  2.7238  -2.339474      4.014293 
1 1 1 -7  -21 30 o 27.964  2.3813  107.832   17.474    109.375   24.992    106.357   24.441    28.159  3.3812  27.769  3.3540  0.3900928      4.762542 
1 1 1 -7  -21 31 o 44.607  2.0514  270.506   24.330    294.396   35.204    248.661   33.664    46.512  2.8394  42.702  2.9615  3.809891       4.102777 
1 1 1 -7  -21 32 o 35.848  2.1795  175.924   20.686    190.200   29.747    162.555   28.786    37.285  3.0042  34.411  3.1585  2.874004       4.359038 
1 1 1 -7  -21 33 o 58.756  2.1684  471.778   34.005    472.409   48.352    471.161   47.832    58.789  3.0814  58.722  3.0516  0.6661224E-01  4.336714 
1 1 1 -7  -21 34 o 41.988  2.2404  242.437   25.006    241.935   35.642    242.923   35.093    41.934  3.1973  42.041  3.1391  -0.1061058     4.480746 
1 1 1 -7  -21 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -21 36 o 24.839  2.9209  88.469    18.711    97.224    26.844    80.196    26.094    26.123  3.9608  23.556  4.2939  2.566666       5.841737 
1 1 1 -7  -21 37 o 62.735  2.3220  546.667   38.876    559.062   55.311    534.566   54.653    63.452  3.2655  62.018  3.3020  1.433876       4.643963 
1 1 1 -7  -21 38 o 14.220  3.4728  27.023    16.790    38.631    23.084    13.984    24.464    16.126  4.9064  12.313  4.9163  3.813233       6.945637 
1 1 1 -7  -21 39 o 23.410  3.3199  82.591    20.091    84.791    28.359    80.374    28.468    23.769  4.6208  23.051  4.7683  0.7183132      6.639881 
1 1 1 -7  -21 40 o 11.000  2.9747  -1.4422   15.706    32.608    21.605    -39.6066  22.873    14.768  4.7835  7.2308  3.5374  7.537715       5.949371 
1 1 1 -7  -21 41 o 39.167  2.6111  223.516   26.949    203.202   38.159    243.730   38.065    37.213  3.8857  41.121  3.4889  -3.907978      5.222133 
1 1 1 -7  -21 42 o 22.630  3.6422  82.571    21.557    83.665    29.638    81.343    31.410    22.925  4.9701  22.334  5.3255  0.5902271      7.284453 
1 1 1 -7  -21 43 o 8.2641  2.7494  -28.2814  15.825    -49.1167  20.808    0.3023    24.372    6.2252  3.1034  10.303  4.5394  -4.077762      5.498827 
1 1 1 -7  -21 44 o 20.652  3.9093  72.678    22.061    70.769    31.074    74.618    31.325    20.355  5.5477  20.948  5.5093  -0.5928497     7.818504 
1 1 1 -7  -21 45 o 31.016  3.4610  156.966   27.544    168.814   37.800    143.554   40.217    32.773  4.4189  29.259  5.3281  3.514154       6.922057 
1 1 1 -7  -21 46 o 22.305  4.0058  90.610    24.119    99.629    33.340    80.707    34.937    23.899  5.3425  20.711  5.9703  3.188204       8.011621 
1 1 1 -7  -21 47 o 16.136  4.1249  50.603    23.064    40.365    31.526    62.393    33.831    14.731  5.6686  17.542  5.9938  -2.810610      8.249819 
1 1 1 -7  -20 1  o 177.747 3.5483  4269.42   168.906   4367.25   239.709   4172.95   238.038   179.782 4.9779  175.712 5.0577  4.069870       7.096519 
1 1 1 -7  -20 2  o 72.701  2.0648  709.820   40.205    718.768   57.123    701.036   56.598    73.156  2.9152  72.247  2.9248  0.9087143      4.129501 
1 1 1 -7  -20 3  o 92.164  2.2657  1141.39   55.921    1128.20   79.478    1154.32   78.696    91.633  3.2382  92.694  3.1697  -1.060753      4.531315 
1 1 1 -7  -20 4  o 180.453 3.6130  4395.12   174.606   4328.00   247.527   4461.59   246.336   179.068 5.1608  181.838 5.0577  -2.770660      7.225949 
1 1 1 -7  -20 5  o 116.109 2.5906  1812.36   80.560    1798.93   114.431   1825.57   113.433   115.678 3.6932  116.539 3.6339  -0.8605499     5.181235 
1 1 1 -7  -20 6  o 84.427  2.1627  957.090   48.901    940.907   69.238    973.195   69.075    83.713  3.0879  85.141  3.0289  -1.428299      4.325477 
1 1 1 -7  -20 7  o 88.822  2.2253  1059.37   52.932    1036.98   74.837    1081.80   74.876    87.880  3.1794  89.764  3.1143  -1.883789      4.450509 
1 1 1 -7  -20 8  o 19.293  2.6828  53.974    13.505    24.307    19.022    84.130    19.177    13.722  4.4909  24.865  2.9361  -11.14308      5.365515 
1 1 1 -7  -20 9  o 101.546 2.3700  1384.92   64.455    1396.40   90.858    1373.29   91.452    101.972 3.3265  101.120 3.3765  0.8517761      4.739910 
1 1 1 -7  -20 10 o 209.996 4.0518  5954.72   227.841   6112.28   322.255   5797.24   322.175   212.797 5.6539  207.196 5.8053  5.600693       8.103545 
1 1 1 -7  -20 11 o 41.414  1.9822  231.061   21.848    227.256   30.323    235.169   31.506    41.061  2.7733  41.767  2.8330  -0.7061462     3.964466 
1 1 1 -7  -20 12 o 90.725  2.2337  1104.77   54.272    1081.73   76.043    1128.68   77.483    89.761  3.1629  91.689  3.1550  -1.927933      4.467410 
1 1 1 -7  -20 13 o 66.438  1.9744  591.891   35.123    573.112   48.935    611.845   50.442    65.352  2.7956  67.524  2.7889  -2.172600      3.948852 
1 1 1 -7  -20 14 o 56.121  1.9221  422.628   28.795    390.724   40.017    456.882   41.465    53.888  2.7820  58.354  2.6529  -4.466507      3.844133 
1 1 1 -7  -20 15 o 142.438 2.9440  2729.82   112.316   2701.11   158.310   2758.92   159.373   141.683 4.1716  143.193 4.1553  -1.510651      5.888006 
1 1 1 -7  -20 16 o 72.553  2.0172  706.541   39.194    703.596   54.913    709.599   55.960    72.400  2.8317  72.705  2.8736  -0.3057022     4.034367 
1 1 1 -7  -20 17 o 76.419  2.0287  784.222   41.515    799.026   58.477    769.179   58.948    77.149  2.8299  75.689  2.9077  1.459724       4.057428 
1 1 1 -7  -20 18 o 52.904  1.9006  376.619   26.850    392.934   37.735    359.888   38.213    54.107  2.6037  51.701  2.7695  2.406067       3.801274 
1 1 1 -7  -20 19 o 17.283  2.5971  42.927    12.734    11.056    18.003    74.838    18.014    11.144  4.2848  23.422  2.9358  -12.27848      5.194132 
1 1 1 -7  -20 20 o 38.351  1.9204  198.528   19.589    206.399   27.796    190.762   27.612    39.115  2.6690  37.587  2.7620  1.528252       3.840855 
1 1 1 -7  -20 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -20 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -20 23 o 92.678  2.3108  1156.48   57.362    1158.69   81.479    1154.31   80.769    92.764  3.2793  92.592  3.2567  0.1721268      4.621665 
1 1 1 -7  -20 24 o 95.225  2.3169  1221.66   59.089    1229.99   84.229    1213.58   82.916    95.542  3.2914  94.908  3.2617  0.6341476      4.633817 
1 1 1 -7  -20 25 o 106.467 2.4704  1529.77   70.444    1541.97   100.407   1517.94   98.856    106.881 3.5073  106.052 3.4801  0.8296280      4.940888 
1 1 1 -7  -20 26 o 73.894  2.0856  735.874   41.261    737.857   59.247    734.007   57.496    73.984  2.9898  73.804  2.9085  0.1803894      4.171102 
1 1 1 -7  -20 27 o 44.146  1.9981  264.030   23.465    259.309   33.958    268.343   32.461    43.751  2.9144  44.540  2.7342  -0.7887840     3.996220 
1 1 1 -7  -20 28 o 50.965  1.9955  351.160   27.044    390.865   38.999    314.376   37.536    53.765  2.7169  48.165  2.9234  5.599728       3.990966 
1 1 1 -7  -20 29 o 75.730  2.1402  776.134   43.391    762.032   61.953    789.712   60.791    75.040  3.0824  76.419  2.9699  -1.379128      4.280348 
1 1 1 -7  -20 30 o 72.776  2.1344  717.357   41.598    718.635   59.407    716.127   58.265    72.832  3.0453  72.720  2.9913  0.1126099      4.268699 
1 1 1 -7  -20 31 o 11.782  3.0048  15.271    12.545    23.027    17.419    6.9144    18.081    13.158  4.2971  10.406  4.2012  2.751447       6.009548 
1 1 1 -7  -20 32 o 47.571  2.1225  308.125   26.889    323.478   38.684    293.772   37.402    48.727  2.9782  46.415  3.0250  2.312309       4.245074 
1 1 1 -7  -20 33 o 65.290  2.1585  579.836   37.743    590.579   53.794    569.421   52.968    65.887  3.0482  64.693  3.0568  1.193832       4.316926 
1 1 1 -7  -20 34 o 37.421  2.2916  192.869   22.704    186.811   32.687    198.517   31.558    36.814  3.3516  38.027  3.1260  -1.212879      4.583139 
1 1 1 -7  -20 35 o 30.056  2.6667  126.261   20.457    162.231   29.997    94.987    27.971    34.254  3.3108  25.857  4.1813  8.396511       5.333317 
1 1 1 -7  -20 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -20 37 o 29.273  2.6942  121.266   20.621    120.509   29.239    122.015   29.088    29.170  3.8352  29.375  3.7850  -0.2045078     5.388393 
1 1 1 -7  -20 38 o 12.891  3.4355  19.119    16.186    16.424    22.573    21.971    23.222    12.427  4.7925  13.354  4.9236  -0.9275150     6.870987 
1 1 1 -7  -20 39 o 15.863  3.6910  36.904    18.148    37.470    24.910    36.264    26.492    15.932  5.1338  15.793  5.3045  0.1387024      7.381975 
1 1 1 -7  -20 40 o 16.917  3.5683  42.659    18.157    26.376    25.111    60.499    26.285    14.023  5.1275  19.810  4.9638  -5.787110      7.136559 
1 1 1 -7  -20 41 o 41.874  2.5729  252.834   28.567    254.983   40.208    250.643   40.594    42.085  3.6016  41.664  3.6753  0.4207802      5.145792 
1 1 1 -7  -20 42 o 17.679  3.6764  50.137    19.659    69.038    27.409    30.111    28.212    20.846  4.9775  14.512  5.4118  6.333828       7.352777 
1 1 1 -7  -20 43 o 12.517  3.5438  14.724    18.508    1.8105    24.825    30.884    27.772    10.569  4.6209  14.465  5.3743  -3.895487      7.087699 
1 1 1 -7  -20 44 o 14.520  3.8073  31.279    19.781    24.066    26.928    39.733    29.153    13.373  5.2130  15.668  5.5505  -2.294597      7.614696 
1 1 1 -7  -20 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -20 46 o 17.452  4.0403  54.594    21.972    45.516    30.583    64.276    31.586    16.072  5.6860  18.831  5.7414  -2.759680      8.080514 
1 1 1 -7  -20 47 o 13.197  3.6993  19.779    21.287    -6.3025   28.986    50.316    31.364    10.084  4.6442  16.310  5.7595  -6.225914      7.398672 
1 1 1 -7  -19 1  o 116.571 2.6112  1826.84   81.510    1792.62   115.777   1860.47   114.776   115.482 3.7430  117.659 3.6420  -2.176544      5.222431 
1 1 1 -7  -19 2  o 153.538 3.1628  3172.45   130.066   3188.29   184.582   3156.83   183.306   153.918 4.4773  153.158 4.4684  0.7597504      6.325514 
1 1 1 -7  -19 3  o 109.117 2.5005  1599.04   73.079    1620.48   103.833   1577.99   102.872   109.842 3.5292  108.391 3.5433  1.450935       5.001061 
1 1 1 -7  -19 4  o 125.532 2.7086  2117.10   91.060    2163.80   129.303   2071.15   128.259   126.908 3.8039  124.156 3.8568  2.752449       5.417112 
1 1 1 -7  -19 5  o 108.533 2.4777  1581.81   71.981    1656.39   102.296   1508.68   101.305   111.073 3.4385  105.994 3.5683  5.078247       4.955353 
1 1 1 -7  -19 6  o 182.841 3.5957  4501.19   176.078   4580.63   249.509   4422.38   248.518   184.455 5.0502  181.227 5.1197  3.227615       7.191386 
1 1 1 -7  -19 7  o 210.833 4.0807  5994.66   230.335   6216.48   326.228   5774.16   325.260   214.747 5.6716  206.919 5.8687  7.828262       8.161418 
1 1 1 -7  -19 8  o 129.695 2.7713  2259.68   96.266    2234.04   135.991   2285.44   136.292   128.956 3.9371  130.434 3.9011  -1.478745      5.542554 
1 1 1 -7  -19 9  f 58.844  1.9260  464.310   30.346    460.380   42.290    468.483   43.571    58.589  2.6948  59.100  2.7525  -0.5114899     3.852043 
1 1 1 -7  -19 10 o 192.854 3.7479  5009.05   193.602   5008.59   273.533   5009.51   274.058   192.846 5.2955  192.862 5.3053  -0.1570129E-01 7.495888 
1 1 1 -7  -19 11 o 115.369 2.5276  1787.06   78.069    1712.64   109.768   1863.22   111.056   112.935 3.6288  117.804 3.5196  -4.869530      5.055253 
1 1 1 -7  -19 12 o 155.704 3.1554  3259.91   131.579   3189.36   185.447   3331.44   186.720   154.003 4.4958  157.405 4.4288  -3.402405      6.310785 
1 1 1 -7  -19 13 o 220.594 4.2873  6567.29   253.263   6392.99   357.551   6742.81   358.789   217.637 6.1336  223.551 5.9920  -5.914749      8.574693 
1 1 1 -7  -19 14 o 98.242  2.2851  1295.32   60.091    1233.23   84.395    1359.17   85.581    95.850  3.2873  100.633 3.1750  -4.783005      4.570206 
1 1 1 -7  -19 15 o 58.394  1.8897  457.543   29.537    462.631   41.166    452.145   42.404    58.730  2.6169  58.057  2.7269  0.6731224      3.779416 
1 1 1 -7  -19 16 o 101.435 2.3442  1381.25   63.686    1355.85   89.589    1407.18   90.549    100.492 3.3284  102.378 3.3021  -1.886566      4.688486 
1 1 1 -7  -19 17 o 121.667 2.6652  1989.59   86.785    1888.09   122.202   2092.88   123.270   118.526 3.8492  124.807 3.6875  -6.280594      5.330474 
1 1 1 -7  -19 18 o 215.862 4.1796  6295.65   241.647   6356.90   341.629   6234.32   341.851   216.923 5.8798  214.802 5.9417  2.121368       8.359155 
1 1 1 -7  -19 19 o 19.111  2.8636  51.367    14.255    63.892    20.195    38.928    20.125    21.511  3.6346  16.710  4.4261  4.800686       5.727182 
1 1 1 -7  -19 20 o 100.403 2.3356  1354.36   62.809    1370.53   89.061    1338.37   88.592    101.001 3.2921  99.806  3.3139  1.194290       4.671216 
1 1 1 -7  -19 21 o 88.495  2.1950  1051.92   52.021    1078.92   74.034    1025.59   73.113    89.618  3.0842  87.371  3.1242  2.246452       4.390084 
1 1 1 -7  -19 22 o 112.205 2.5404  1693.84   76.345    1704.98   108.543   1682.94   107.402   112.569 3.5999  111.841 3.5853  0.7279129      5.080722 
1 1 1 -7  -19 23 o 84.131  2.2016  952.487   49.566    919.586   70.755    984.191   69.456    82.695  3.1944  85.568  3.0305  -2.873032      4.403211 
1 1 1 -7  -19 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -19 25 f 69.698  2.0680  652.796   38.587    675.659   55.640    631.611   53.561    70.872  2.9311  68.524  2.9182  2.347755       4.136036 
1 1 1 -7  -19 26 f 111.891 2.5595  1689.53   76.700    1699.55   109.347   1679.82   107.613   112.213 3.6381  111.569 3.6011  0.6443024      5.118952 
1 1 1 -7  -19 27 o 86.937  2.2447  1020.12   52.222    985.467   74.580    1053.46   73.146    85.471  3.2577  88.403  3.0891  -2.931679      4.489495 
1 1 1 -7  -19 28 o 95.523  2.3738  1232.84   60.729    1243.11   86.682    1222.93   85.106    95.909  3.3743  95.136  3.3399  0.7731628      4.747681 
1 1 1 -7  -19 29 o 50.041  2.0074  339.240   26.762    331.551   38.536    346.402   37.195    49.475  2.9209  50.606  2.7545  -1.130707      4.014816 
1 1 1 -7  -19 30 o 66.843  2.0929  603.713   37.461    623.188   53.647    585.180   52.332    67.897  2.9499  65.790  2.9698  2.107216       4.185845 
1 1 1 -7  -19 31 o 48.048  2.0673  313.721   26.452    309.862   38.135    317.299   36.724    47.745  2.9972  48.351  2.8482  -0.6057930     4.134653 
1 1 1 -7  -19 32 o 44.112  2.1260  266.296   24.820    237.082   35.387    294.583   34.821    41.661  3.1956  46.563  2.8051  -4.901924      4.252093 
1 1 1 -7  -19 33 o 50.339  2.1226  345.080   28.478    357.727   40.791    333.054   39.776    51.246  2.9847  49.431  3.0187  1.814323       4.245119 
1 1 1 -7  -19 34 f 17.602  3.1788  44.419    15.378    57.772    21.915    31.468    21.584    20.114  4.2032  15.091  4.7700  5.022947       6.357638 
1 1 1 -7  -19 35 o 18.538  3.3294  49.842    16.635    43.481    23.572    56.154    23.480    17.362  4.8709  19.714  4.5402  -2.352924      6.658791 
1 1 1 -7  -19 36 o 65.788  2.2586  592.743   39.798    597.469   56.586    588.117   55.985    66.045  3.1987  65.531  3.1896  0.5147705      4.517243 
1 1 1 -7  -19 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -19 38 o 51.402  2.3250  367.227   31.757    338.107   44.903    396.369   44.920    49.278  3.4232  53.527  3.1470  -4.248600      4.649949 
1 1 1 -7  -19 39 o 19.027  3.3974  54.932    17.929    72.984    24.997    35.802    25.731    22.295  4.3420  15.759  5.2264  6.535441       6.794724 
1 1 1 -7  -19 40 o 48.080  2.4421  326.305   31.231    334.616   44.191    318.012   44.144    48.727  3.4074  47.433  3.4993  1.293591       4.884156 
1 1 1 -7  -19 41 o 18.401  3.6453  52.958    18.687    54.194    25.957    51.627    26.923    18.646  5.0656  18.156  5.2431  0.4908104      7.290499 
1 1 1 -7  -19 42 o 11.651  3.1892  3.0566    16.824    -26.2997  23.192    35.661    24.441    8.0309  3.8370  15.271  5.0951  -7.239882      6.378309 
1 1 1 -7  -19 43 o 14.141  3.3330  24.609    17.784    53.843    24.684    -6.9427   25.643    18.343  4.9217  9.9376  4.4959  8.405893       6.666054 
1 1 1 -7  -19 44 o 39.535  2.8012  233.872   29.228    241.454   40.997    226.035   41.682    40.309  3.8438  38.761  4.0759  1.548630       5.602441 
1 1 1 -7  -19 45 o 17.729  4.0711  53.795    22.159    46.936    30.244    61.744    32.559    16.661  5.6673  18.796  5.8461  -2.135662      8.142170 
1 1 1 -7  -19 46 o 29.843  3.6352  146.473   27.908    128.792   38.038    167.088   41.073    27.668  5.3261  32.017  4.9490  -4.349516      7.270465 
1 1 1 -7  -19 47 o 9.7470  3.1751  -7.8610   18.723    -10.3621  24.100    -4.0529   29.737    9.0398  4.1884  10.454  4.7732  -1.414506      6.350262 
1 1 1 -7  -19 48 o 13.196  3.2485  30.326    16.184    0.2964    29.642    43.080    19.318    10.512  4.7863  15.880  4.3934  -5.367811      6.496948 
1 1 1 -7  -18 1  o 266.950 5.1272  9645.74   366.608   9642.63   519.189   9648.82   517.737   266.903 7.2624  266.997 7.2396  -0.9457397E-01 10.25449 
1 1 1 -7  -18 2  o 127.866 2.7650  2196.07   94.674    2261.75   134.462   2131.49   133.323   129.766 3.8685  125.966 3.9515  3.800171       5.529911 
1 1 1 -7  -18 3  o 136.576 2.9301  2507.33   107.129   2419.57   151.863   2594.27   151.146   134.188 4.2252  138.965 4.0607  -4.777542      5.860207 
1 1 1 -7  -18 4  o 96.472  2.3264  1248.87   60.113    1255.39   85.246    1242.43   84.781    96.723  3.2904  96.222  3.2895  0.5007782      4.652746 
1 1 1 -7  -18 5  o 152.675 3.1337  3132.75   128.138   3187.75   181.681   3078.30   180.751   154.012 4.4042  151.338 4.4591  2.673676       6.267382 
1 1 1 -7  -18 6  o 174.853 3.4967  4112.55   163.750   4183.76   231.913   4041.75   231.243   176.368 4.9092  173.338 4.9806  3.029938       6.993381 
1 1 1 -7  -18 7  o 137.143 2.8690  2526.31   105.383   2553.27   149.068   2499.37   149.001   137.877 4.0365  136.410 4.0781  1.467072       5.737950 
1 1 1 -7  -18 8  o 211.158 4.1010  6007.69   231.902   5870.73   327.753   6144.99   328.164   208.735 5.8622  213.582 5.7364  -4.847565      8.201929 
1 1 1 -7  -18 9  o 93.219  2.2476  1165.59   56.097    1120.95   78.720    1211.64   79.960    91.404  3.2154  95.033  3.1413  -3.629456      4.495128 
1 1 1 -7  -18 10 o 240.900 4.6161  7831.34   297.848   7850.08   420.867   7812.54   421.576   241.193 6.5147  240.608 6.5415  0.5849915      9.232125 
1 1 1 -7  -18 11 o 191.098 3.7680  4915.75   192.850   4835.42   272.172   4996.75   273.295   189.524 5.3615  192.672 5.2957  -3.147842      7.535959 
1 1 1 -7  -18 12 o 34.862  1.9740  164.017   18.269    163.316   25.420    164.765   26.274    34.789  2.7505  34.936  2.8322  -0.1468620     3.947960 
1 1 1 -7  -18 13 o 76.477  2.0275  784.261   41.526    772.262   58.124    796.773   59.350    75.880  2.8598  77.074  2.8749  -1.194168      4.055081 
1 1 1 -7  -18 14 f 154.699 3.1397  3216.88   130.095   3207.27   183.548   3226.59   184.419   154.467 4.4363  154.931 4.4440  -0.4634705     6.279381 
1 1 1 -7  -18 15 o 157.414 3.1789  3331.83   134.014   3384.60   189.164   3278.65   189.886   158.672 4.4509  156.157 4.5399  2.515182       6.357768 
1 1 1 -7  -18 16 o 181.035 3.5542  4411.15   172.328   4331.08   243.258   4491.83   244.163   179.379 5.0630  182.691 4.9897  -3.311874      7.108499 
1 1 1 -7  -18 17 o 122.082 2.6301  2001.69   85.998    1970.11   121.419   2033.47   121.820   121.114 3.7429  123.050 3.6961  -1.936218      5.260261 
1 1 1 -7  -18 18 o 40.471  1.9043  220.672   20.523    220.251   29.218    221.082   28.835    40.431  2.7138  40.511  2.6724  -0.8017731E-01 3.808683 
1 1 1 -7  -18 19 o 190.896 3.7674  4911.63   192.632   4930.95   272.665   4892.38   272.181   191.272 5.3222  190.520 5.3337  0.7522125      7.534824 
1 1 1 -7  -18 20 o 211.967 4.1109  6066.71   233.379   5985.50   330.397   6147.57   329.700   210.538 5.8589  213.396 5.7682  -2.858215      8.221896 
1 1 1 -7  -18 21 o 42.175  1.9579  240.455   21.921    223.238   31.424    256.776   30.596    40.680  2.9031  43.669  2.6280  -2.989063      3.915878 
1 1 1 -7  -18 22 o 135.505 2.8605  2471.61   103.779   2407.81   147.402   2534.31   146.138   133.759 4.1143  137.250 3.9752  -3.490814      5.720973 
1 1 1 -7  -18 23 o 67.533  2.0063  612.674   36.263    604.516   52.144    620.315   50.463    67.094  2.9016  67.973  2.7717  -0.8791962     4.012688 
1 1 1 -7  -18 24 o 145.595 3.0197  2857.96   117.756   2865.79   167.496   2850.30   165.584   145.788 4.2894  145.402 4.2517  0.3859863      6.039487 
1 1 1 -7  -18 25 o 49.286  3.6812  328.967   48.246    0.0000    0.0000    328.967   48.246    ?       ?       49.286  3.6812  ?              ?        
1 1 1 -7  -18 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -18 27 o 99.123  2.3945  1324.35   63.563    1323.60   90.656    1325.07   89.147    99.090  3.4157  99.156  3.3566  -0.6591797E-01 4.788925 
1 1 1 -7  -18 28 o 17.958  2.9737  45.384    14.060    48.704    20.099    42.203    19.676    18.607  4.1396  17.309  4.2702  1.297548       5.947351 
1 1 1 -7  -18 29 o 37.047  2.1601  186.704   21.201    178.712   30.481    194.195   29.507    36.253  3.1709  37.841  2.9342  -1.588299      4.320210 
1 1 1 -7  -18 30 o 91.735  2.3686  1139.02   58.180    1117.07   82.725    1160.49   81.840    90.846  3.3997  92.623  3.2988  -1.777351      4.737105 
1 1 1 -7  -18 31 o 70.118  2.1254  664.589   39.903    689.067   57.043    641.134   55.839    71.387  2.9833  68.849  3.0280  2.537613       4.250719 
1 1 1 -7  -18 32 o 60.614  2.0994  497.777   34.010    519.431   48.698    477.159   47.519    61.944  2.9351  59.283  3.0024  2.661957       4.198720 
1 1 1 -7  -18 33 o 35.822  2.2825  175.708   21.658    177.193   31.065    174.303   30.212    35.962  3.2605  35.681  3.1950  0.2806969      4.564950 
1 1 1 -7  -18 34 o 33.948  2.3281  158.533   20.810    176.147   29.715    141.580   29.152    35.859  3.1250  32.037  3.4518  3.822308       4.656203 
1 1 1 -7  -18 35 o 70.929  2.2829  686.363   43.355    663.630   61.170    709.310   61.457    69.730  3.2751  72.128  3.1811  -2.398270      4.565720 
1 1 1 -7  -18 36 o 88.168  2.4376  1066.49   57.544    1092.77   81.064    1039.80   81.698    89.298  3.3892  87.038  3.5044  2.259621       4.875193 
1 1 1 -7  -18 37 o 48.967  2.3117  330.770   30.088    353.948   42.634    307.772   42.467    50.732  3.1531  47.201  3.3814  3.531250       4.623410 
1 1 1 -7  -18 38 o 21.031  4.3012  66.303    23.311    67.207    26.614    63.324    48.311    21.371  4.7702  20.692  7.1585  0.6785812      8.602324 
1 1 1 -7  -18 39 o 15.669  3.4233  35.187    16.403    47.326    22.977    22.570    23.425    17.845  4.7305  13.493  4.9496  4.352526       6.846647 
1 1 1 -7  -18 40 o 18.064  3.6171  49.912    19.090    65.532    26.143    32.071    27.941    20.873  4.7791  15.255  5.4308  5.618273       7.234202 
1 1 1 -7  -18 41 o 13.170  3.5981  19.672    17.946    15.718    24.019    24.670    27.001    12.374  4.8931  13.967  5.2767  -1.593009      7.196218 
1 1 1 -7  -18 42 o 21.015  3.5876  69.077    19.944    63.783    27.245    75.188    29.275    20.143  5.0572  21.887  5.0899  -1.743761      7.175127 
1 1 1 -7  -18 43 o 21.013  3.6757  70.452    20.972    51.369    28.674    92.401    30.752    17.762  5.4800  24.265  4.9004  -6.502489      7.351481 
1 1 1 -7  -18 44 o 16.708  3.9158  46.002    21.080    56.928    28.371    32.534    31.498    18.532  5.3911  14.884  5.6808  3.648588       7.831678 
1 1 1 -7  -18 45 o 10.829  3.3407  3.1491    18.361    7.9996    24.933    -2.5981   27.140    11.173  4.7547  10.485  4.6941  0.6878347      6.681473 
1 1 1 -7  -18 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -18 47 o 18.430  3.4438  59.606    16.917    49.349    30.500    64.164    20.330    16.563  5.6903  20.298  3.8809  -3.734615      6.887691 
1 1 1 -7  -18 48 o 12.259  3.2710  23.698    14.833    9.0883    28.751    28.997    17.316    11.260  4.9466  13.259  4.2811  -1.998215      6.541929 
1 1 1 -7  -17 1  o 66.150  1.9768  587.218   35.001    567.294   49.778    606.702   49.225    65.037  2.8575  67.263  2.7323  -2.225189      3.953542 
1 1 1 -7  -17 2  o 173.149 3.5100  4032.12   162.773   4106.54   230.845   3958.52   229.553   174.743 4.9321  171.555 4.9956  3.187622       7.020093 
1 1 1 -7  -17 3  o 186.578 3.6745  4683.46   183.626   4738.74   260.335   4628.72   259.043   187.677 5.1788  185.480 5.2142  2.197296       7.349017 
1 1 1 -7  -17 4  o 271.318 5.1423  9947.19   373.700   9996.87   529.081   9897.72   527.904   271.998 7.2622  270.639 7.2824  1.358948       10.28461 
1 1 1 -7  -17 5  o 93.063  2.2505  1162.05   56.079    1198.53   79.429    1125.80   79.186    94.522  3.1373  91.605  3.2273  2.917442       4.500916 
1 1 1 -7  -17 6  o 198.185 3.8845  5287.09   206.197   5334.26   291.834   5240.07   291.379   199.072 5.4732  197.299 5.5137  1.772827       7.768945 
1 1 1 -7  -17 7  o 190.782 3.7391  4897.63   191.066   4864.19   270.131   4931.11   270.285   190.127 5.3045  191.436 5.2712  -1.309097      7.478150 
1 1 1 -7  -17 8  o 101.135 2.3512  1372.31   63.686    1351.20   89.756    1393.71   90.379    100.351 3.3393  101.919 3.3108  -1.567726      4.702343 
1 1 1 -7  -17 9  o 134.892 2.8298  2443.40   102.239   2420.68   144.133   2466.42   145.046   134.260 4.0080  135.524 3.9958  -1.263748      5.659530 
1 1 1 -7  -17 10 o 51.720  1.8255  358.416   25.195    329.506   34.855    390.055   36.463    49.503  2.6382  53.938  2.5239  -4.435493      3.651051 
1 1 1 -7  -17 11 o 139.878 2.9087  2628.20   108.920   2516.57   153.355   2741.83   154.728   136.874 4.1830  142.883 4.0430  -6.008728      5.817478 
1 1 1 -7  -17 12 o 176.679 3.4966  4198.37   165.469   4208.11   233.538   4188.55   234.482   176.887 4.9291  176.471 4.9608  0.4163666      6.993248 
1 1 1 -7  -17 13 o 136.610 2.8290  2506.54   103.509   2524.13   145.933   2488.73   146.839   137.095 3.9741  136.125 4.0273  0.9700165      5.657987 
1 1 1 -7  -17 14 f 149.014 3.0333  2984.01   121.050   3032.54   170.841   2935.07   171.541   150.237 4.2455  147.792 4.3334  2.444199       6.066503 
1 1 1 -7  -17 15 o 70.946  1.9507  675.074   37.061    678.399   51.985    671.638   52.850    71.125  2.7288  70.767  2.7882  0.3573990      3.901355 
1 1 1 -7  -17 16 o 89.576  2.1862  1076.45   52.452    1068.14   74.003    1084.84   74.356    89.228  3.0964  89.923  3.0871  -0.6950150     4.372435 
1 1 1 -7  -17 17 o 132.127 2.7888  2344.84   98.696    2354.28   139.571   2335.41   139.583   132.394 3.9359  131.860 3.9521  0.5331879      5.577652 
1 1 1 -7  -17 18 o 78.991  2.0675  837.050   43.742    832.427   62.007    841.628   61.714    78.774  2.9388  79.209  2.9088  -0.4354935     4.134968 
1 1 1 -7  -17 19 o 156.894 3.1691  3310.55   133.150   3239.22   188.637   3381.36   187.969   155.201 4.5378  158.586 4.4252  -3.384644      6.338269 
1 1 1 -7  -17 20 o 91.763  2.2353  1129.78   54.934    1150.44   78.443    1109.89   76.954    92.586  3.1632  90.940  3.1593  1.646355       4.470647 
1 1 1 -7  -17 21 o 54.900  1.9037  404.333   27.919    429.063   40.190    381.270   38.812    56.557  2.6530  53.242  2.7308  3.314976       3.807309 
1 1 1 -7  -17 22 o 75.671  2.0722  767.478   41.959    816.823   60.440    721.574   58.295    78.018  2.8923  73.324  2.9682  4.693672       4.144380 
1 1 1 -7  -17 23 o 44.629  1.9641  268.711   23.296    262.562   34.009    274.148   31.977    44.134  2.8929  45.124  2.6575  -0.9893074     3.928256 
1 1 1 -7  -17 24 o 44.514  1.9909  266.547   23.593    280.303   34.267    254.150   32.532    45.608  2.8189  43.421  2.8123  2.187359       3.981862 
1 1 1 -7  -17 25 o 115.383 2.5882  1790.76   79.967    1849.77   114.106   1733.80   112.101   117.255 3.6332  113.512 3.6871  3.742897       5.176349 
1 1 1 -7  -17 26 o 67.482  2.0748  612.048   37.479    610.072   53.891    613.899   52.158    67.372  2.9864  67.592  2.8810  -0.2193756     4.149514 
1 1 1 -7  -17 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -17 28 f 28.844  2.4192  113.631   18.284    123.174   26.208    104.583   25.519    30.058  3.3102  27.630  3.5288  2.427237       4.838384 
1 1 1 -7  -17 29 o 21.071  2.9614  62.679    16.093    53.718    23.126    71.093    22.410    19.515  4.5141  22.627  3.8345  -3.112091      5.922822 
1 1 1 -7  -17 30 o 31.647  2.2133  136.304   18.416    154.562   26.596    119.484   25.526    33.727  2.9745  29.568  3.2783  4.158663       4.426633 
1 1 1 -7  -17 31 o 50.681  2.0691  347.716   27.961    356.306   40.070    339.565   39.035    51.292  2.9288  50.069  2.9234  1.222382       4.138110 
1 1 1 -7  -17 32 o 13.419  2.8877  20.657    13.313    42.979    18.753    -2.0226   18.902    17.412  4.0905  9.4251  4.0771  7.987268       5.775329 
1 1 1 -7  -17 33 o 66.966  2.1604  607.932   38.731    631.985   54.937    584.162   54.612    68.297  3.0031  65.636  3.1064  2.661407       4.320704 
1 1 1 -7  -17 34 o 31.693  2.3388  138.091   19.561    137.343   27.623    138.844   27.705    31.605  3.3123  31.781  3.3029  -0.1759567     4.677687 
1 1 1 -7  -17 35 f 22.320  2.9584  70.674    17.034    67.791    23.888    73.656    24.296    21.832  4.2379  22.809  4.1289  -0.9767113     5.916726 
1 1 1 -7  -17 36 o 22.699  2.9988  73.432    17.557    74.613    24.600    72.206    25.065    22.912  4.1617  22.486  4.3186  0.4255981      5.997542 
1 1 1 -7  -17 37 f 24.915  2.9200  88.148    18.798    84.935    26.295    91.506    26.885    24.428  4.1684  25.402  4.0902  -0.9742184     5.839988 
1 1 1 -7  -17 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -17 39 o 11.840  3.3424  11.633    15.886    9.3442    21.126    14.611    24.098    11.221  4.5372  12.458  4.9091  -1.237523      6.684762 
1 1 1 -7  -17 40 o 13.423  3.5468  21.230    17.090    16.985    22.809    26.663    25.804    12.521  4.8208  14.324  5.2038  -1.802315      7.093664 
1 1 1 -7  -17 41 o 44.418  2.6002  284.909   29.955    337.041   41.570    228.604   43.202    49.059  3.1807  39.777  4.1144  9.281471       5.200467 
1 1 1 -7  -17 42 o 36.357  2.7269  192.546   25.946    209.479   36.007    174.258   37.419    38.245  3.5557  34.469  4.1355  3.775753       5.453900 
1 1 1 -7  -17 43 o 14.946  3.5902  33.994    17.922    43.983    23.221    19.274    28.188    16.741  4.8794  13.151  5.2678  3.589905       7.180403 
1 1 1 -7  -17 44 o 8.2458  2.7613  -22.6555  16.452    -13.3252  21.982    -34.5368  24.806    8.6352  4.0006  7.8564  3.8072  0.7787833      5.522665 
1 1 1 -7  -17 45 o 36.334  2.5153  193.649   23.188    194.222   38.257    193.316   29.153    35.913  4.0477  36.754  2.9871  -0.8410530     5.030607 
1 1 1 -7  -17 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -17 47 o 19.555  3.4688  56.191    16.819    88.227    32.043    44.008    19.760    22.636  5.3666  16.474  4.3964  6.162001       6.937522 
1 1 1 -7  -17 48 o 7.7355  2.6159  -14.5912  12.094    -9.2767   25.791    -16.0892  13.693    9.3709  4.3386  6.1002  2.9236  3.270751       5.231726 
1 1 1 -7  -16 1  o 157.164 3.2072  3319.23   135.008   3340.34   191.522   3298.39   190.345   157.661 4.5353  156.668 4.5360  0.9932861      6.414376 
1 1 1 -7  -16 2  f 79.971  2.0939  857.774   44.849    853.601   63.710    861.873   63.145    79.778  2.9815  80.165  2.9408  -0.3872070     4.187810 
1 1 1 -7  -16 3  o 73.193  2.0241  719.211   39.626    677.006   56.166    761.036   55.913    71.049  2.9514  75.336  2.7709  -4.286705      4.048270 
1 1 1 -7  -16 4  o 167.882 3.3589  3788.28   151.026   3854.53   214.036   3722.59   213.132   169.348 4.7187  166.416 4.7815  2.931534       6.717781 
1 1 1 -7  -16 5  o 67.102  1.9080  603.754   34.289    614.497   48.512    593.029   48.472    67.699  2.6753  66.505  2.7211  1.194397       3.816023 
1 1 1 -7  -16 6  o 95.367  2.2410  1220.04   57.238    1237.57   80.912    1202.48   80.982    96.054  3.1449  94.680  3.1933  1.373970       4.481937 
1 1 1 -7  -16 7  o 103.155 2.3376  1427.71   64.562    1377.45   91.053    1478.53   91.559    101.326 3.3549  104.984 3.2560  -3.657280      4.675174 
1 1 1 -7  -16 8  o 145.600 2.9881  2847.10   116.532   2842.11   164.510   2852.12   165.094   145.473 4.2220  145.727 4.2296  -0.2550049     5.976240 
1 1 1 -7  -16 9  o 140.974 2.9211  2668.89   110.294   2686.91   155.620   2650.71   156.342   141.455 4.1073  140.494 4.1546  0.9605408      5.842151 
1 1 1 -7  -16 10 o 153.614 3.0790  3170.06   126.675   3205.98   178.757   3133.83   179.537   154.492 4.3198  152.736 4.3886  1.755493       6.157973 
1 1 1 -7  -16 11 o 185.684 3.6520  4637.32   181.624   4583.77   256.387   4691.27   257.327   184.605 5.1852  186.763 5.1441  -2.158401      7.303938 
1 1 1 -7  -16 12 o 216.374 4.1619  6305.52   241.205   6276.05   340.714   6335.12   341.517   215.866 5.8927  216.882 5.8789  -1.016327      8.323838 
1 1 1 -7  -16 13 o 61.435  1.8207  505.892   29.956    495.963   41.996    516.176   42.742    60.821  2.5779  62.048  2.5718  -1.227211      3.641402 
1 1 1 -7  -16 14 o 143.874 2.9769  2780.59   114.703   2719.12   161.825   2842.66   162.608   142.273 4.2465  145.476 4.1731  -3.203522      5.953828 
1 1 1 -7  -16 15 o 130.652 2.7255  2292.10   95.371    2316.01   134.653   2268.04   135.099   131.338 3.8277  129.966 3.8809  1.372040       5.450927 
1 1 1 -7  -16 16 o 53.660  1.8114  386.081   26.033    392.007   36.844    380.171   36.789    54.072  2.5440  53.248  2.5795  0.8234215      3.622893 
1 1 1 -7  -16 17 o 181.788 3.5569  4446.20   173.179   4514.14   245.133   4378.50   244.692   183.180 4.9962  180.395 5.0641  2.784180       7.113858 
1 1 1 -7  -16 18 o 136.071 2.8262  2486.97   103.005   2491.00   146.037   2482.98   145.308   136.180 4.0037  135.962 3.9901  0.2181244      5.652479 
1 1 1 -7  -16 19 o 116.730 2.5759  1829.19   80.522    1879.93   114.539   1779.61   113.222   118.333 3.6138  115.128 3.6717  3.205261       5.151739 
1 1 1 -7  -16 20 o 109.590 2.4586  1613.44   72.112    1556.22   102.664   1669.17   101.314   107.664 3.5601  111.515 3.3919  -3.851334      4.917249 
1 1 1 -7  -16 21 o 197.071 3.8832  5233.01   204.973   5250.65   290.810   5215.60   288.950   197.399 5.5002  196.743 5.4832  0.6562347      7.766433 
1 1 1 -7  -16 22 o 173.238 3.4682  4041.68   160.867   3934.15   228.402   4147.52   226.608   170.936 4.9886  175.541 4.8196  -4.605545      6.936447 
1 1 1 -7  -16 23 o 133.940 2.8777  2412.57   103.210   2372.28   146.932   2451.81   145.008   132.828 4.1299  135.052 4.0087  -2.223770      5.755469 
1 1 1 -7  -16 24 o 104.482 2.4338  1465.70   68.079    1530.86   97.381    1403.41   95.211    106.756 3.4056  102.208 3.4779  4.547195       4.867624 
1 1 1 -7  -16 25 f 103.157 2.4293  1429.40   67.101    1482.36   95.916    1378.64   93.907    105.030 3.4095  101.283 3.4616  3.746201       4.858698 
1 1 1 -7  -16 26 o 120.763 2.7046  1962.69   87.477    1976.06   124.472   1949.64   122.965   121.168 3.8353  120.358 3.8143  0.8094559      5.409100 
1 1 1 -7  -16 27 o 50.618  2.0524  344.839   27.674    369.824   39.970    321.832   38.355    52.387  2.8594  48.849  2.9452  3.537815       4.104889 
1 1 1 -7  -16 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -16 29 o 87.764  2.3218  1037.72   54.576    1044.07   77.618    1031.52   76.754    88.028  3.2920  87.500  3.2749  0.5278778      4.643528 
1 1 1 -7  -16 30 o 103.990 2.5210  1460.68   70.206    1495.46   99.530    1426.23   99.044    105.230 3.5312  102.749 3.5988  2.481171       5.041939 
1 1 1 -7  -16 31 o 58.586  2.0856  463.443   32.657    481.056   46.523    446.333   45.852    59.727  2.9080  57.444  2.9904  2.283337       4.171236 
1 1 1 -7  -16 32 o 119.007 2.7666  1925.60   88.173    1960.75   124.505   1890.24   124.886   120.115 3.8699  117.898 3.9548  2.217552       5.533195 
1 1 1 -7  -16 33 f 30.565  2.3264  128.443   18.651    115.324   26.379    141.555   26.373    28.943  3.4720  32.187  3.0973  -3.244368      4.652766 
1 1 1 -7  -16 34 o 33.983  2.3371  158.377   21.002    158.600   29.537    158.148   29.870    34.013  3.2829  33.953  3.3272  0.5976486E-01  4.674125 
1 1 1 -7  -16 35 o 13.088  2.8728  17.640    13.879    43.348    19.094    -11.1624  20.210    17.422  4.1508  8.7536  3.9727  8.668496       5.745539 
1 1 1 -7  -16 36 o 47.229  2.2540  305.627   28.313    318.921   39.812    292.023   40.274    48.304  3.0934  46.155  3.2790  2.148376       4.507909 
1 1 1 -7  -16 37 o 54.845  2.2720  413.653   33.116    444.036   46.346    381.959   47.336    56.979  3.0478  52.711  3.3704  4.268108       4.544077 
1 1 1 -7  -16 38 o 10.942  3.1613  7.3105    14.692    9.8177    19.872    4.2876    21.820    11.119  4.4336  10.766  4.5077  0.3527184      6.322629 
1 1 1 -7  -16 39 o 22.182  4.2991  64.613    22.098    57.155    24.590    95.907    50.370    19.699  4.7220  24.666  7.1856  -4.967897      8.598217 
1 1 1 -7  -16 40 o 57.885  2.3665  466.501   36.494    467.775   50.503    465.109   52.794    58.022  3.2629  57.748  3.4286  0.2740822      4.733028 
1 1 1 -7  -16 41 o 11.079  3.2037  3.5807    15.893    -11.0254  21.404    21.530    23.728    8.8938  4.0564  13.264  4.9598  -4.369745      6.407325 
1 1 1 -7  -16 42 o 40.022  2.6804  232.024   28.090    255.752   38.810    205.917   40.709    42.439  3.4440  37.606  4.1083  4.832344       5.360863 
1 1 1 -7  -16 43 o 14.505  3.1459  23.070    13.965    57.400    24.809    7.1465    16.896    19.168  4.8331  9.8416  4.0283  9.326501       6.291749 
1 1 1 -7  -16 44 o 15.260  3.3168  31.654    14.316    52.825    25.551    21.966    17.284    18.126  5.0663  12.394  4.2822  5.732111       6.633564 
1 1 1 -7  -16 45 o 14.946  3.4334  32.912    14.760    42.761    26.917    28.677    17.650    16.210  5.3440  13.682  4.3122  2.528295       6.866861 
1 1 1 -7  -16 46 o 16.994  3.2961  48.958    15.642    34.435    27.195    56.138    19.122    14.803  5.3477  19.186  3.8548  -4.383095      6.592246 
1 1 1 -7  -16 47 o 15.716  3.6945  37.579    17.385    57.303    30.580    28.160    21.132    17.985  5.6769  13.447  4.7298  4.537847       7.389051 
1 1 1 -7  -16 48 o 15.314  3.6493  40.401    17.064    40.045    31.271    40.553    20.363    15.078  5.6829  15.550  4.5799  -0.4714727     7.298663 
1 1 1 -7  -15 1  o 273.007 5.1971  10065.56  380.025   10159.80  538.177   9971.83   536.699   274.289 7.3253  271.725 7.3741  2.564240       10.39415 
1 1 1 -7  -15 2  o 130.119 2.7597  2272.62   96.180    2288.43   136.505   2257.05   135.538   130.568 3.9032  129.670 3.9024  0.8982544      5.519433 
1 1 1 -7  -15 3  o 118.144 2.5959  1874.38   82.075    1789.22   116.326   1958.80   115.819   115.464 3.7613  120.824 3.5788  -5.359901      5.191874 
1 1 1 -7  -15 4  o 174.238 3.4585  4080.19   161.399   4046.44   228.509   4113.79   227.998   173.516 4.9167  174.960 4.8652  -1.444580      6.916967 
1 1 1 -7  -15 5  o 234.835 4.4697  7428.18   281.136   7494.11   397.850   7362.43   397.324   235.880 6.2971  233.789 6.3450  2.091644       8.939367 
1 1 1 -7  -15 6  o 57.024  1.7985  435.787   27.464    423.180   38.558    448.770   39.128    56.186  2.5621  57.861  2.5247  -1.674706      3.597030 
1 1 1 -7  -15 7  o 104.651 2.3561  1469.44   66.021    1506.71   93.145    1431.82   93.592    105.987 3.2811  103.315 3.3821  2.672440       4.712123 
1 1 1 -7  -15 8  o 112.837 2.4454  1707.96   73.905    1686.01   104.138   1730.24   104.901   112.106 3.4681  113.569 3.4485  -1.462311      4.890812 
1 1 1 -7  -15 9  o 168.757 3.3376  3826.46   150.818   3704.32   212.729   3949.90   213.854   166.042 4.7832  171.472 4.6562  -5.430222      6.675288 
1 1 1 -7  -15 10 o 194.438 3.7751  5083.87   196.600   5020.58   277.553   5147.59   278.519   193.220 5.3630  195.656 5.3146  -2.435989      7.550282 
1 1 1 -7  -15 11 o 90.097  2.0991  1088.73   50.646    1103.39   71.255    1073.78   71.999    90.711  2.9327  89.483  3.0040  1.228226       4.198152 
1 1 1 -7  -15 12 o 64.926  1.8316  564.973   31.848    556.266   44.636    574.003   45.456    64.416  2.5870  65.435  2.5935  -1.018768      3.663204 
1 1 1 -7  -15 13 o 85.840  2.0659  988.201   47.495    996.653   66.889    979.607   67.450    86.211  2.8967  85.469  2.9464  0.7422867      4.131808 
1 1 1 -7  -15 14 o 182.556 3.6423  4482.14   178.083   4547.81   251.690   4416.30   252.005   183.901 5.1097  181.211 5.1920  2.690399       7.284616 
1 1 1 -7  -15 15 o 125.972 2.6746  2130.21   90.241    2157.12   127.646   2103.33   127.594   126.769 3.7593  125.175 3.8056  1.594139       5.349298 
1 1 1 -7  -15 16 o 99.377  2.2681  1324.89   60.370    1322.12   85.606    1327.62   85.148    99.273  3.2195  99.480  3.1956  -0.2074280     4.536142 
1 1 1 -7  -15 17 o 155.042 3.1440  3230.16   130.560   3253.30   185.113   3207.25   184.169   155.595 4.4417  154.489 4.4507  1.106171       6.287914 
1 1 1 -7  -15 18 o 188.987 3.7098  4806.85   187.780   4772.02   266.155   4841.38   264.971   188.300 5.2771  189.674 5.2156  -1.374222      7.419569 
1 1 1 -7  -15 19 o 258.867 4.9511  9055.04   343.282   9163.25   486.355   8947.62   484.597   260.418 6.9726  257.316 7.0311  3.101532       9.902207 
1 1 1 -7  -15 20 o 37.732  1.9848  193.910   19.697    173.659   28.984    211.288   26.850    35.849  3.0474  39.614  2.5439  -3.764835      3.969620 
1 1 1 -7  -15 21 o 82.448  2.1251  910.658   46.875    975.251   67.582    850.773   65.072    85.263  2.9592  79.632  3.0508  5.631279       4.250249 
1 1 1 -7  -15 22 o 68.542  2.0631  632.004   37.768    597.342   54.493    664.047   52.393    66.723  3.0491  70.361  2.7801  -3.637947      4.126242 
1 1 1 -7  -15 23 o 125.094 2.7428  2102.31   91.891    2108.66   130.973   2096.15   128.958   125.278 3.9032  124.910 3.8544  0.3673325      5.485569 
1 1 1 -7  -15 24 o 89.322  2.2451  1070.15   53.644    1148.71   76.976    995.971   74.800    92.512  3.1065  86.133  3.2422  6.378395       4.490227 
1 1 1 -7  -15 25 o 167.986 3.4620  3802.38   155.767   3791.56   220.967   3813.07   219.615   167.743 4.9181  168.228 4.8739  -0.4842529     6.924019 
1 1 1 -7  -15 26 o 126.507 2.8046  2153.28   95.023    2135.47   134.919   2170.81   133.852   125.983 3.9983  127.030 3.9339  -1.047668      5.609115 
1 1 1 -7  -15 27 o 33.762  2.2617  154.687   20.147    168.682   28.680    141.051   28.309    35.301  3.0635  32.222  3.3280  3.079086       4.523349 
1 1 1 -7  -15 28 o 127.323 2.8277  2185.50   96.421    2148.65   136.575   2222.12   136.145   126.245 4.0390  128.402 3.9586  -2.156975      5.655415 
1 1 1 -7  -15 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -15 30 o 53.952  2.0790  392.671   29.902    416.528   42.864    370.056   41.734    55.559  2.8904  52.345  2.9890  3.213936       4.157930 
1 1 1 -7  -15 31 o 24.216  2.7291  84.945    16.266    117.565   22.814    51.216    23.199    29.394  2.9370  19.038  4.6006  10.35630       5.458156 
1 1 1 -7  -15 32 o 110.751 2.6307  1662.36   78.022    1616.63   109.677   1709.20   111.014   109.199 3.7498  112.303 3.6906  -3.104179      5.261312 
1 1 1 -7  -15 33 o 72.169  2.2339  705.289   43.158    724.560   60.649    685.521   61.427    73.184  3.0940  71.155  3.2230  2.029274       4.467763 
1 1 1 -7  -15 34 f 31.735  2.4726  141.410   19.785    184.256   28.099    99.285    27.862    36.793  2.8741  26.678  4.0243  10.11460       4.945236 
1 1 1 -7  -15 35 o 12.198  2.9466  14.069    12.820    -1.5457   17.253    33.322    19.158    9.0257  3.8997  15.371  4.4183  -6.344858      5.893117 
1 1 1 -7  -15 36 o 66.943  2.2588  610.794   40.457    626.284   56.407    594.385   58.059    67.849  3.1039  66.038  3.2824  1.811371       4.517508 
1 1 1 -7  -15 37 o 10.555  2.9323  0.7751    13.704    -18.3211  18.638    23.250    20.220    7.6708  3.5966  13.439  4.6322  -5.768526      5.864547 
1 1 1 -7  -15 38 o 31.000  2.9178  142.719   21.677    199.549   30.303    83.156    31.023    38.121  2.9917  23.879  5.0103  14.24260       5.835516 
1 1 1 -7  -15 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -15 40 f 59.906  2.4017  499.640   38.310    514.920   53.216    483.200   55.197    60.940  3.2722  58.873  3.5164  2.067059       4.803399 
1 1 1 -7  -15 41 o 17.240  3.5011  43.108    18.037    23.687    24.922    64.470    26.138    13.759  5.0952  20.721  4.8032  -6.961555      7.002275 
1 1 1 -7  -15 42 f 22.014  3.0220  75.672    16.265    59.507    27.391    84.476    20.214    19.616  5.1483  24.412  3.1661  -4.796185      6.043963 
1 1 1 -7  -15 43 o 10.751  2.9257  12.240    12.521    -6.8132   22.978    20.287    14.933    9.5250  4.2874  11.978  3.9820  -2.452670      5.851314 
1 1 1 -7  -15 44 o 16.766  3.4265  43.065    15.565    48.388    27.190    40.471    18.984    17.326  5.3348  16.207  4.3017  1.119232       6.853037 
1 1 1 -7  -15 45 o 12.299  3.0517  4.9249    13.646    49.262    25.251    -13.3657  16.219    17.412  5.0920  7.1860  3.3648  10.22638       6.103330 
1 1 1 -7  -15 46 o 34.150  2.7362  177.280   22.879    163.980   38.774    184.384   28.338    32.428  4.5924  35.872  2.9762  -3.443638      5.472480 
1 1 1 -7  -15 47 o 24.517  8.6039  144.778   69.908    144.778   69.908    0.0000    0.0000    24.517  8.6039  ?       ?       ?              ?        
1 1 1 -7  -15 48 o 19.063  3.5767  64.997    18.089    55.030    33.320    69.162    21.539    17.150  5.9444  20.975  3.9793  -3.824905      7.153376 
1 1 1 -7  -15 49 o 12.915  3.2996  28.585    16.008    3.0014    30.795    38.059    18.739    10.887  4.9260  14.944  4.3913  -4.057173      6.599131 
1 1 1 -7  -14 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -14 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -14 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -14 4  o 110.964 3.5237  1652.63   104.401   1839.04   150.372   1479.15   145.063   117.012 4.7978  104.916 5.1621  12.09618       7.047468 
1 1 1 -7  -14 5  o 60.606  1.8314  492.423   29.725    500.314   41.874    484.408   42.202    61.096  2.5588  60.116  2.6209  0.9802895      3.662890 
1 1 1 -7  -14 6  o 133.836 2.7666  2403.65   99.162    2450.84   140.152   2356.35   140.320   135.154 3.8715  132.518 3.9533  2.636078       5.533250 
1 1 1 -7  -14 7  o 114.938 2.4856  1772.33   76.456    1679.22   107.677   1867.01   108.577   111.888 3.5929  117.987 3.4357  -6.098412      4.971254 
1 1 1 -7  -14 8  o 256.560 4.8470  8865.32   333.076   8821.19   470.624   8909.61   471.459   255.918 6.8657  257.202 6.8435  -1.284042      9.693909 
1 1 1 -7  -14 9  o 171.416 3.3652  3946.02   154.507   3944.70   218.088   3947.34   218.925   171.388 4.7507  171.444 4.7674  -0.5566406E-01 6.730371 
1 1 1 -7  -14 10 o 254.367 4.8140  8714.95   327.982   8656.69   463.402   8773.44   464.273   253.512 6.8245  255.222 6.7915  -1.710907      9.628001 
1 1 1 -7  -14 11 o 35.464  2.4599  176.402   22.129    133.357   32.904    211.947   29.901    31.268  4.0221  39.661  2.8333  -8.393177      4.919883 
1 1 1 -7  -14 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -14 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -14 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -14 15 o 43.214  1.7490  251.043   20.155    255.717   28.889    246.612   28.131    43.606  2.4837  42.822  2.4630  0.7843666      3.497902 
1 1 1 -7  -14 16 o 60.774  1.8099  494.857   29.436    524.628   42.143    466.496   41.132    62.558  2.5151  58.989  2.6033  3.569695       3.619765 
1 1 1 -7  -14 17 o 182.291 3.6043  4468.71   175.983   4510.15   249.573   4427.74   248.189   183.133 5.0879  181.449 5.1067  1.683563       7.208689 
1 1 1 -7  -14 18 o 101.368 2.3385  1378.17   63.481    1412.30   90.713    1345.42   88.866    102.598 3.3010  100.138 3.3132  2.459267       4.676918 
1 1 1 -7  -14 19 o 169.764 3.3852  3874.81   153.904   3974.20   218.694   3777.29   216.627   171.926 4.7490  167.602 4.8255  4.323807       6.770449 
1 1 1 -7  -14 20 o 213.175 4.1418  6124.28   236.476   6074.26   335.466   6173.68   333.397   212.301 5.8994  214.050 5.8151  -1.749298      8.283634 
1 1 1 -7  -14 21 o 64.105  1.9750  549.842   33.864    591.524   49.164    512.217   46.711    66.412  2.7639  61.798  2.8220  4.614037       3.950018 
1 1 1 -7  -14 22 o 174.912 3.4924  4116.31   163.607   4188.17   232.419   4045.73   230.346   176.429 4.9183  173.396 4.9597  3.032913       6.984817 
1 1 1 -7  -14 23 f 258.647 4.9358  9047.35   341.918   8937.30   484.210   9156.80   482.884   257.060 7.0325  260.235 6.9277  -3.175323      9.871625 
1 1 1 -7  -14 24 o 116.888 2.6179  1834.86   81.954    1872.73   116.567   1797.84   115.245   118.082 3.6856  115.694 3.7190  2.388359       5.235843 
1 1 1 -7  -14 25 o 251.418 4.8424  8557.04   326.094   8565.55   461.569   8548.56   460.764   251.542 6.8507  251.294 6.8455  0.2476044      9.684722 
1 1 1 -7  -14 26 o 90.664  2.3063  1103.95   55.986    1143.25   79.461    1065.20   78.896    92.270  3.2151  89.058  3.3074  3.212349       4.612628 
1 1 1 -7  -14 27 o 62.495  2.0616  524.343   34.504    526.829   49.326    521.962   48.283    62.639  2.9400  62.352  2.8910  0.2873573      4.123289 
1 1 1 -7  -14 28 o 90.412  2.3416  1099.45   56.650    1160.90   80.396    1038.85   79.838    92.931  3.2299  87.893  3.3913  5.037437       4.683270 
1 1 1 -7  -14 29 o 118.584 5.3036  1905.99   168.456   0.0000    0.0000    1905.99   168.456   ?       ?       118.584 5.3036  ?              ?        
1 1 1 -7  -14 30 o 116.985 5.4156  1860.68   169.694   1860.68   169.694   0.0000    0.0000    116.985 5.4156  ?       ?       ?              ?        
1 1 1 -7  -14 31 o 58.167  2.1177  457.351   32.818    496.413   46.329    418.006   46.496    60.726  2.8483  55.608  3.1345  5.118423       4.235302 
1 1 1 -7  -14 32 o 70.953  2.2039  679.908   41.847    701.702   58.650    657.309   59.724    72.125  3.0359  69.780  3.1955  2.345680       4.407713 
1 1 1 -7  -14 33 o 93.137  2.4327  1175.23   60.668    1187.69   85.050    1162.32   86.566    93.655  3.3904  92.619  3.4894  1.035416       4.865305 
1 1 1 -7  -14 34 o 64.974  2.1974  571.901   38.211    576.538   53.119    566.928   55.009    65.263  3.0387  64.685  3.1750  0.5777130      4.394816 
1 1 1 -7  -14 35 o 35.600  2.3341  175.068   21.762    198.511   30.412    150.471   31.152    38.152  3.0003  33.048  3.5762  5.103565       4.668107 
1 1 1 -7  -14 36 o 29.845  2.5508  124.482   19.745    137.454   27.196    110.023   28.712    31.616  3.2582  28.074  3.9256  3.541714       5.101597 
1 1 1 -7  -14 37 o 32.748  2.4440  147.532   21.048    133.586   28.786    163.553   30.853    31.056  3.5229  34.440  3.3885  -3.384243      4.887978 
1 1 1 -7  -14 38 o 26.873  2.8238  101.506   19.646    91.238    27.052    112.963   28.576    25.370  4.1225  28.376  3.8600  -3.005707      5.647568 
1 1 1 -7  -14 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -14 40 o 39.291  2.1963  211.818   22.565    224.310   35.563    203.399   29.194    40.160  3.3364  38.422  2.8573  1.737690       4.392629 
1 1 1 -7  -14 41 o 20.069  3.0997  61.688    15.648    50.763    26.376    67.622    19.438    18.343  5.1546  21.795  3.4442  -3.451797      6.199419 
1 1 1 -7  -14 42 o 14.467  3.3580  29.382    14.379    33.026    25.145    27.612    17.528    15.148  5.1674  13.785  4.2898  1.362955       6.716015 
1 1 1 -7  -14 43 o 22.318  3.0078  76.624    16.646    66.182    27.268    82.827    21.016    20.625  4.9900  24.011  3.3598  -3.385784      6.015696 
1 1 1 -7  -14 44 o 48.123  2.3522  332.792   29.254    324.488   46.801    338.116   37.477    47.232  3.7297  49.013  2.8673  -1.780350      4.704439 
1 1 1 -7  -14 45 o 27.293  2.9878  113.964   19.860    109.114   33.735    116.536   24.569    26.228  4.9843  28.359  3.2961  -2.130350      5.975532 
1 1 1 -7  -14 46 o 13.758  3.4611  28.160    15.333    26.807    28.093    28.734    18.298    13.844  5.3444  13.672  4.3995  0.1719837      6.922276 
1 1 1 -7  -14 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -14 48 o 16.503  3.5967  46.916    16.823    44.386    31.440    47.931    19.913    15.826  5.7449  17.181  4.3290  -1.355103      7.193352 
1 1 1 -7  -14 49 o 15.155  3.7334  36.308    17.174    60.686    32.439    26.815    20.244    17.515  5.8698  12.794  4.6152  4.720452       7.466897 
1 1 1 -7  -13 1  o 135.510 2.8838  2463.92   104.665   2502.18   148.535   2426.18   147.507   136.555 4.0610  134.464 4.0956  2.091904       5.767623 
1 1 1 -7  -13 2  o 140.300 2.9167  2641.05   109.602   2673.98   155.422   2608.48   154.583   141.170 4.1104  139.429 4.1392  1.741547       5.833380 
1 1 1 -7  -13 3  o 219.987 4.2477  6507.81   250.143   6776.78   354.267   6240.38   353.247   224.537 5.8905  215.436 6.1217  9.100967       8.495478 
1 1 1 -7  -13 4  o 225.350 4.3176  6827.20   260.584   6711.84   368.545   6942.52   368.497   223.439 6.1580  227.261 6.0537  -3.821930      8.635293 
1 1 1 -7  -13 5  o 197.847 3.8325  5257.37   203.095   5219.94   287.094   5294.86   287.345   197.141 5.4370  198.554 5.4030  -1.413177      7.665079 
1 1 1 -7  -13 6  o 152.580 3.0771  3123.48   125.752   3089.82   177.555   3157.36   178.128   151.755 4.3682  153.406 4.3351  -1.651749      6.154202 
1 1 1 -7  -13 7  o 68.430  1.8592  627.606   33.996    571.246   47.565    686.463   48.608    65.288  2.7200  71.573  2.5355  -6.285164      3.718489 
1 1 1 -7  -13 8  o 341.835 6.3849  15770.21  584.579   15587.91  826.140   15953.02  827.300   339.843 9.0758  343.827 8.9833  -3.983948      12.76986 
1 1 1 -7  -13 9  o 85.910  2.0602  989.144   47.375    940.157   66.514    1039.58   67.492    83.750  2.9651  88.070  2.8611  -4.319740      4.120402 
1 1 1 -7  -13 10 o 76.633  1.9160  787.216   39.318    797.880   55.267    776.287   55.949    77.159  2.6742  76.106  2.7446  1.052635       3.831982 
1 1 1 -7  -13 11 o 140.802 2.8404  2659.46   107.121   2654.77   151.183   2664.19   151.803   140.678 4.0123  140.926 4.0216  -0.2489014     5.680801 
1 1 1 -7  -13 12 o 93.996  2.1563  1184.59   54.283    1200.49   76.558    1168.51   76.978    94.632  3.0204  93.361  3.0783  1.271057       4.312654 
1 1 1 -7  -13 13 o 98.194  2.2195  1292.76   58.375    1285.69   82.535    1299.84   82.575    97.925  3.1467  98.463  3.1310  -0.5380630     4.439046 
1 1 1 -7  -13 14 o 203.193 3.9431  5550.83   214.561   5684.60   303.727   5417.58   303.145   205.645 5.5141  200.741 5.6380  4.904816       7.886231 
1 1 1 -7  -13 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -13 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -13 17 o 161.634 3.2275  3509.38   139.686   3626.84   198.493   3394.13   196.612   164.319 4.5099  158.948 4.6181  5.370575       6.454951 
1 1 1 -7  -13 18 o 143.103 2.9467  2750.51   112.924   2714.70   160.661   2785.47   158.754   142.178 4.2188  144.029 4.1151  -1.851013      5.893441 
1 1 1 -7  -13 19 o 107.649 2.4019  1554.43   69.244    1580.62   99.032    1529.37   96.856    108.535 3.4066  106.763 3.3870  1.772659       4.803810 
1 1 1 -7  -13 20 o 283.533 5.3981  10874.62  409.947   10885.34  580.832   10863.97  578.681   283.668 7.6445  283.397 7.6235  0.2708130      10.79613 
1 1 1 -7  -13 21 o 211.729 4.1460  6041.12   235.121   6029.39   333.457   6052.73   331.575   211.520 5.8857  211.939 5.8409  -0.4189758     8.292056 
1 1 1 -7  -13 22 o 171.691 3.4603  3965.82   159.120   3939.95   225.856   3991.32   224.214   171.130 4.9274  172.252 4.8597  -1.122635      6.920672 
1 1 1 -7  -13 23 o 116.737 2.6223  1829.72   81.981    1873.92   116.585   1786.49   115.303   118.134 3.6845  115.341 3.7322  2.792694       5.244514 
1 1 1 -7  -13 24 o 240.686 4.6592  7827.27   300.304   7649.66   424.836   8004.63   424.551   237.932 6.6662  243.440 6.5110  -5.507675      9.318371 
1 1 1 -7  -13 25 o 94.051  2.3533  1187.43   59.282    1193.81   84.069    1181.11   83.607    94.302  3.3283  93.799  3.3278  0.5029907      4.706594 
1 1 1 -7  -13 26 o 101.371 2.4496  1380.09   66.509    1397.30   94.243    1363.02   93.874    102.001 3.4495  100.740 3.4790  1.261215       4.899217 
1 1 1 -7  -13 27 o 39.336  2.1410  208.993   22.377    203.092   31.634    214.903   31.657    38.772  3.0713  39.900  2.9838  -1.127522      4.281997 
1 1 1 -7  -13 28 o 162.367 3.3738  3556.92   146.685   3644.77   207.084   3468.44   207.805   164.396 4.7029  160.337 4.8387  4.058624       6.747644 
1 1 1 -7  -13 29 o 74.980  2.2051  756.294   44.253    782.404   62.200    729.532   62.972    76.298  3.0436  73.662  3.1916  2.636108       4.410241 
1 1 1 -7  -13 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -13 31 o 24.754  2.6113  84.817    16.565    68.604    23.098    101.987   23.769    22.195  4.0339  27.313  3.3171  -5.118320      5.222628 
1 1 1 -7  -13 32 o 53.902  2.1412  393.872   30.703    414.729   42.699    371.543   44.179    55.411  2.8869  52.392  3.1630  3.018482       4.282396 
1 1 1 -7  -13 33 o 66.614  2.2075  599.543   39.349    603.081   54.556    595.708   56.807    66.832  3.0477  66.396  3.1943  0.4364014      4.414924 
1 1 1 -7  -13 34 o 25.827  2.9327  101.447   18.111    156.679   25.379    44.130    25.853    33.945  2.8168  17.708  5.1449  16.23665       5.865483 
1 1 1 -7  -13 35 o 79.596  2.3500  861.170   50.054    876.136   69.669    845.203   71.960    80.340  3.2376  78.852  3.4071  1.487679       4.700041 
1 1 1 -7  -13 36 o 27.163  2.5975  103.257   18.240    110.924   24.926    94.419    26.763    28.356  3.3463  25.970  3.9738  2.386309       5.195092 
1 1 1 -7  -13 37 o 32.605  2.4723  147.617   21.105    155.570   28.835    138.441   30.973    33.636  3.2406  31.575  3.7346  2.060980       4.944590 
1 1 1 -7  -13 38 o 32.372  2.3000  149.206   18.816    124.117   29.440    166.530   24.464    29.813  3.7711  34.930  2.6342  -5.117346      4.600032 
1 1 1 -7  -13 39 o 48.984  2.1968  334.478   28.041    302.456   43.076    358.027   36.939    46.761  3.4638  51.206  2.7028  -4.445000      4.393544 
1 1 1 -7  -13 40 o 20.764  2.8605  57.449    14.922    85.337    25.247    42.476    18.500    24.435  3.9957  17.093  4.0945  7.341175       5.721041 
1 1 1 -7  -13 41 o 11.896  2.9643  18.254    12.311    2.7263    21.795    25.531    14.919    10.463  4.4489  13.328  3.9187  -2.864946      5.928678 
1 1 1 -7  -13 42 o 30.275  2.5172  126.878   19.593    147.718   31.927    114.289   24.815    32.124  3.7831  28.426  3.3218  3.697437       5.034486 
1 1 1 -7  -13 43 o 49.125  2.2697  339.188   29.173    346.884   45.885    333.966   37.795    49.365  3.4928  48.884  2.8995  0.4815674      4.539494 
1 1 1 -7  -13 44 o 8.9564  2.6025  0.7895    11.720    -34.4088  21.989    14.756    13.851    7.2648  3.5353  10.648  3.8202  -3.383241      5.205020 
1 1 1 -7  -13 45 o 10.175  3.0134  -2.3508   13.013    23.955    24.839    -12.3022  15.277    13.321  5.0541  7.0288  3.2829  6.291934       6.026716 
1 1 1 -7  -13 46 o 42.704  2.4719  259.603   27.168    294.729   45.239    239.788   33.978    44.568  3.8268  40.841  3.1299  3.726913       4.943772 
1 1 1 -7  -13 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -13 48 o 13.071  3.4273  25.926    15.391    23.695    27.758    26.917    18.495    13.062  5.2292  13.079  4.4319  -0.1672268E-01 6.854660 
1 1 1 -7  -13 49 o 16.032  3.7081  43.660    17.352    58.785    30.955    36.730    20.953    17.463  5.7296  14.602  4.7088  2.861282       7.416284 
1 1 1 -7  -12 1  o 125.896 2.7254  2125.40   91.901    2149.67   130.412   2101.46   129.527   126.610 3.8456  125.182 3.8631  1.428703       5.450831 
1 1 1 -7  -12 2  o 185.222 3.6688  4604.76   182.014   4606.37   257.783   4603.16   257.034   185.254 5.1951  185.191 5.1818  0.6340027E-01  7.337629 
1 1 1 -7  -12 3  o 273.078 5.1490  10028.19  376.566   10225.24  532.932   9831.71   532.159   275.767 7.2151  270.388 7.3479  5.378632       10.29803 
1 1 1 -7  -12 4  o 277.249 5.1662  10335.17  383.579   10566.72  542.747   10104.10  542.179   280.363 7.2275  274.135 7.3840  6.228546       10.33244 
1 1 1 -7  -12 5  o 276.877 5.1442  10304.52  381.494   10368.14  539.458   10240.87  539.569   277.735 7.2517  276.019 7.2983  1.716278       10.28841 
1 1 1 -7  -12 6  o 159.633 3.1871  3417.39   136.273   3404.96   192.383   3429.91   193.057   159.341 4.5076  159.924 4.5069  -0.5828094     6.374276 
1 1 1 -7  -12 7  o 119.500 2.5353  1914.07   81.128    1855.44   114.253   1973.70   115.219   117.653 3.6256  121.347 3.5449  -3.693924      5.070614 
1 1 1 -7  -12 8  o 239.057 4.5579  7675.22   291.827   7553.95   412.180   7797.12   413.234   237.159 6.4887  240.955 6.4028  -3.795929      9.115878 
1 1 1 -7  -12 9  o 222.454 4.2467  6645.04   252.979   6798.94   357.534   6490.75   358.000   225.040 5.9315  219.867 6.0790  5.173203       8.493384 
1 1 1 -7  -12 10 o 159.786 3.1806  3424.29   136.122   3388.33   192.174   3460.50   192.839   158.943 4.5140  160.628 4.4821  -1.685501      6.361285 
1 1 1 -7  -12 11 o 274.351 5.1320  10121.47  377.111   10209.43  533.145   10033.39  533.485   275.549 7.2237  273.152 7.2917  2.396301       10.26402 
1 1 1 -7  -12 12 o 53.346  1.7242  381.358   24.623    397.279   34.950    365.668   34.696    54.452  2.3963  52.240  2.4797  2.212154       3.448346 
1 1 1 -7  -12 13 o 260.233 4.9200  9109.83   342.905   9260.63   485.221   8959.38   484.661   262.393 6.9040  258.072 7.0115  4.320587       9.839979 
1 1 1 -7  -12 14 o 163.258 3.2599  3577.06   142.533   3650.55   202.110   3504.35   201.039   164.928 4.5751  161.587 4.6450  3.341553       6.519790 
1 1 1 -7  -12 15 o 142.110 2.8915  2709.52   110.016   2814.30   156.380   2606.84   154.804   144.833 4.0311  139.386 4.1464  5.447464       5.782966 
1 1 1 -7  -12 16 o 91.641  2.1674  1126.26   53.179    1114.36   76.050    1137.63   74.389    91.166  3.1144  92.116  3.0150  -0.9502563     4.334736 
1 1 1 -7  -12 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -12 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -12 19 o 176.344 3.5181  4180.87   166.150   4139.07   236.012   4221.95   233.946   175.464 5.0218  177.224 4.9284  -1.760712      7.036132 
1 1 1 -7  -12 20 o 184.374 3.6629  4572.84   180.874   4534.43   256.659   4610.74   254.939   183.599 5.2191  185.150 5.1407  -1.550674      7.325737 
1 1 1 -7  -12 21 o 198.939 3.9280  5328.42   209.304   5371.11   296.676   5286.11   295.329   199.734 5.5455  198.144 5.5646  1.590286       7.856080 
1 1 1 -7  -12 22 o 155.582 3.1972  3253.90   133.230   3232.98   188.786   3274.64   188.047   155.081 4.5449  156.083 4.4980  -1.002029      6.394408 
1 1 1 -7  -12 23 o 112.765 2.5634  1707.17   77.423    1724.16   109.840   1690.39   109.150   113.324 3.6187  112.207 3.6317  1.116524       5.126818 
1 1 1 -7  -12 24 o 129.390 2.8295  2249.20   98.059    2267.81   138.785   2230.64   138.568   129.926 3.9880  128.854 4.0149  1.071945       5.658947 
1 1 1 -7  -12 25 o 171.090 3.4895  3940.28   159.883   4023.72   226.025   3856.71   226.193   172.912 4.8802  169.267 4.9890  3.645142       6.979060 
1 1 1 -7  -12 26 o 132.676 2.9000  2366.25   103.056   2363.88   145.380   2368.64   146.110   132.611 4.0930  132.742 4.1094  -0.1314545     5.799983 
1 1 1 -7  -12 27 o 89.162  2.3094  1067.66   55.143    1080.45   77.603    1054.62   78.370    89.704  3.2298  88.620  3.3016  1.084175       4.618721 
1 1 1 -7  -12 28 f 87.940  2.3298  1038.86   54.873    1033.82   77.042    1044.04   78.174    87.725  3.2788  88.155  3.3108  -0.4298172     4.659594 
1 1 1 -7  -12 29 o 129.064 2.8684  2243.59   99.151    2240.12   139.346   2247.15   141.113   128.967 4.0339  129.161 4.0789  -0.1939545     5.736721 
1 1 1 -7  -12 30 o 38.479  2.2554  200.118   22.977    181.692   31.798    220.253   33.239    36.605  3.2779  40.354  3.0989  -3.749043      4.510826 
1 1 1 -7  -12 31 o 83.625  2.9588  921.106   60.550    884.902   71.750    1010.68   112.862   81.055  3.3048  86.196  4.9088  -5.140305      5.917613 
1 1 1 -7  -12 32 o 141.066 3.1020  2698.78   117.181   2719.29   164.378   2677.58   167.092   141.632 4.3331  140.499 4.4401  1.132721       6.204017 
1 1 1 -7  -12 33 o 80.181  2.3237  868.964   49.860    878.687   69.310    858.536   71.781    80.663  3.2080  79.700  3.3625  0.9629822      4.647351 
1 1 1 -7  -12 34 o 58.819  2.2174  470.045   34.739    493.174   48.079    444.778   50.251    60.414  2.9712  57.224  3.2924  3.189919       4.434834 
1 1 1 -7  -12 35 o 53.233  2.2154  387.511   31.257    418.512   43.224    353.528   45.255    55.538  2.9158  50.927  3.3361  4.611172       4.430757 
1 1 1 -7  -12 36 o 30.476  2.4832  127.892   19.845    116.531   27.432    140.366   28.745    29.017  3.6074  31.935  3.4134  -2.917984      4.966357 
1 1 1 -7  -12 37 o 49.680  2.1494  342.359   27.878    301.233   42.219    374.153   37.121    46.871  3.3857  52.489  2.6489  -5.617905      4.298765 
1 1 1 -7  -12 38 o 10.890  2.8929  7.1639    11.551    24.769    19.856    -1.8416   14.201    13.677  4.5923  8.1029  3.5195  5.573759       5.785802 
1 1 1 -7  -12 39 o 25.737  2.4470  88.733    16.041    119.781   25.673    68.850    20.545    29.375  3.3213  22.099  3.5945  7.276224       4.893984 
1 1 1 -7  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -12 41 o 26.162  2.8213  104.531   17.666    76.700    28.691    121.523   22.419    22.715  4.8625  29.609  2.8626  -6.893789      5.642546 
1 1 1 -7  -12 42 o 12.748  3.2206  17.258    13.594    34.109    23.602    8.8924    16.630    15.308  5.0021  10.189  4.0580  5.118882       6.441116 
1 1 1 -7  -12 43 o 11.464  3.0472  15.352    13.078    4.4935    21.438    21.789    16.505    10.462  4.4286  12.466  4.1869  -2.004251      6.094466 
1 1 1 -7  -12 44 o 8.9744  2.7477  -1.5246   12.826    -21.3413  21.939    8.7643    15.808    8.0776  3.8225  9.8711  3.9482  -1.793577      5.495433 
1 1 1 -7  -12 45 o 36.776  2.5189  197.008   23.547    196.285   38.680    197.434   29.680    36.300  4.0471  37.253  3.0000  -0.9526749     5.037720 
1 1 1 -7  -12 46 o 14.823  3.1517  36.443    15.490    6.3083    27.050    51.144    18.894    11.358  4.8953  18.288  3.9709  -6.929865      6.303377 
1 1 1 -7  -12 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -12 48 o 12.650  3.4202  16.660    15.695    42.032    28.061    5.1097    18.933    15.631  5.4530  9.6699  4.1299  5.960762       6.840422 
1 1 1 -7  -12 49 o 15.783  3.7809  41.087    17.646    60.527    32.941    33.263    20.897    17.573  5.9148  13.993  4.7111  3.579753       7.561740 
1 1 1 -7  -11 1  o 135.449 2.8283  2459.36   102.602   2506.37   145.579   2412.98   144.628   136.735 3.9749  134.162 4.0247  2.573318       5.656690 
1 1 1 -7  -11 2  o 525.439 9.7027  37379.14  1364.79   38832.73  1931.60   35930.04  1928.62   535.747 13.461  515.131 13.978  20.61621       19.40545 
1 1 1 -7  -11 3  o 420.334 7.7467  23811.94  872.097   24160.94  1233.76   23463.42  1232.91   423.431 10.878  417.237 11.032  6.193665       15.49331 
1 1 1 -7  -11 4  o 252.302 4.7167  8545.14   318.677   8756.02   450.830   8334.54   450.524   255.421 6.5897  249.184 6.7501  6.236420       9.433349 
1 1 1 -7  -11 5  o 256.800 4.8306  8851.69   332.252   8745.69   469.547   8957.99   470.205   255.257 6.8677  258.343 6.7952  -3.085724      9.661284 
1 1 1 -7  -11 6  f 295.122 5.5329  11698.17  437.346   11571.34  618.016   11825.38  618.986   293.516 7.8610  296.728 7.7881  -3.212402      11.06573 
1 1 1 -7  -11 7  f 374.064 6.9257  18824.98  693.846   19109.21  981.070   18540.55  981.423   376.902 9.7181  371.226 9.8703  5.676239       13.85149 
1 1 1 -7  -11 8  o 405.251 7.4633  22111.78  810.095   21972.12  1145.16   22251.67  1146.13   403.964 10.584  406.538 10.526  -2.573547      14.92651 
1 1 1 -7  -11 9  o 147.845 3.0282  2930.11   119.909   2953.33   169.287   2906.74   169.870   148.433 4.2580  147.256 4.3068  1.176849       6.056304 
1 1 1 -7  -11 10 o 137.691 2.8377  2541.28   104.650   2561.10   147.781   2521.34   148.215   138.230 3.9914  137.152 4.0346  1.078522       5.675352 
1 1 1 -7  -11 11 o 139.911 2.8061  2624.81   105.104   2722.11   148.637   2527.49   148.643   142.507 3.8940  137.314 4.0415  5.193390       5.612223 
1 1 1 -7  -11 12 o 325.047 6.0730  14215.38  528.682   14447.00  747.989   13984.15  747.351   327.704 8.5217  322.389 8.6548  5.314972       12.14592 
1 1 1 -7  -11 13 o 95.348  2.1831  1218.56   55.743    1201.87   79.241    1234.91   78.429    94.701  3.1240  95.995  3.0503  -1.294571      4.366182 
1 1 1 -7  -11 14 o 238.478 4.5546  7641.10   290.930   7646.94   412.124   7635.29   410.753   238.568 6.4495  238.389 6.4329  0.1798401      9.109233 
1 1 1 -7  -11 15 o 91.345  2.1304  1118.08   52.112    1131.34   74.634    1105.46   72.795    91.873  3.0329  90.817  2.9926  1.056015       4.260742 
1 1 1 -7  -11 16 o 199.066 3.8832  5323.84   207.030   5263.60   293.749   5383.29   291.831   197.942 5.5405  200.190 5.4425  -2.248734      7.766481 
1 1 1 -7  -11 17 o 103.244 2.3534  1428.92   65.067    1451.41   93.109    1407.46   90.966    104.037 3.3413  102.451 3.3149  1.586357       4.706701 
1 1 1 -7  -11 18 o 77.385  2.0387  802.147   42.238    828.183   60.826    777.901   58.697    78.596  2.8893  76.173  2.8769  2.422920       4.077357 
1 1 1 -7  -11 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -11 20 o 67.183  1.9605  605.115   35.275    609.939   50.324    600.455   49.460    67.446  2.7857  66.920  2.7594  0.5257034      3.920977 
1 1 1 -7  -11 21 o 142.025 2.9926  2710.10   113.802   2629.85   161.126   2789.99   160.754   139.919 4.2993  144.130 4.1641  -4.210434      5.985286 
1 1 1 -7  -11 22 o 160.155 3.2817  3448.38   140.753   3524.11   199.172   3372.83   198.939   161.918 4.5924  158.392 4.6892  3.525909       6.563456 
1 1 1 -7  -11 23 o 222.470 4.3284  6674.18   257.921   6685.92   364.595   6662.42   364.915   222.668 6.1132  222.272 6.1294  0.3956299      8.656796 
1 1 1 -7  -11 24 o 242.131 4.6688  7918.09   302.772   8019.21   427.926   7816.73   428.444   243.693 6.5560  240.569 6.6491  3.124466       9.337650 
1 1 1 -7  -11 25 o 145.531 3.0657  2847.07   119.497   2850.01   168.429   2844.08   169.566   145.608 4.3186  145.453 4.3524  0.1557770      6.131357 
1 1 1 -7  -11 26 f 79.875  2.2250  856.559   47.585    872.602   66.788    840.019   67.813    80.638  3.0922  79.112  3.2002  1.525497       4.450091 
1 1 1 -7  -11 27 o 57.913  2.0731  451.235   32.056    469.097   44.901    432.667   45.781    59.128  2.8351  56.698  3.0255  2.429878       4.146280 
1 1 1 -7  -11 28 o 126.051 2.8201  2137.75   95.177    2179.34   133.661   2094.98   135.559   127.304 3.9199  124.798 4.0554  2.506241       5.640170 
1 1 1 -7  -11 29 o 155.375 3.2640  3255.68   135.811   3291.38   190.934   3219.12   193.217   156.249 4.5622  154.501 4.6690  1.748947       6.527900 
1 1 1 -7  -11 30 o 60.111  2.1406  485.551   34.380    464.862   47.564    508.186   49.750    58.732  3.0339  61.489  3.0207  -2.757874      4.281229 
1 1 1 -7  -11 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -11 32 o 104.763 2.6070  1482.37   73.115    1495.39   102.031   1468.62   104.827   105.251 3.6192  104.274 3.7533  0.9773483      5.213990 
1 1 1 -7  -11 33 o 44.398  2.1863  266.584   25.807    251.405   35.582    283.429   37.485    43.059  3.1060  45.737  3.0777  -2.678223      4.372593 
1 1 1 -7  -11 34 o 68.250  2.2389  629.318   40.904    615.937   56.663    643.880   59.109    67.500  3.1341  69.000  3.1983  -1.500793      4.477892 
1 1 1 -7  -11 35 o 33.671  2.0704  150.399   18.218    188.684   28.427    123.717   23.732    37.247  2.8715  30.094  2.9835  7.153843       4.140891 
1 1 1 -7  -11 36 o 37.978  2.1482  203.156   20.850    165.927   32.096    230.336   27.424    34.737  3.4972  41.219  2.4957  -6.482059      4.296400 
1 1 1 -7  -11 37 o 50.301  2.0471  343.633   27.261    351.471   41.318    337.589   36.279    50.764  3.0530  49.839  2.7280  0.9247398      4.094210 
1 1 1 -7  -11 38 o 68.539  2.1837  639.673   39.841    644.975   59.852    635.455   53.387    68.730  3.2512  68.349  2.9162  0.3811493      4.367424 
1 1 1 -7  -11 39 f 53.988  2.1496  401.600   30.583    379.661   46.382    418.476   40.679    52.526  3.3138  55.450  2.7389  -2.924786      4.299162 
1 1 1 -7  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -11 41 o 11.578  3.0819  14.112    12.399    19.027    21.521    11.670    15.170    12.708  4.7290  10.447  3.9532  2.260363       6.163737 
1 1 1 -7  -11 42 o 23.174  2.9090  74.062    16.857    97.011    28.558    61.790    20.883    25.756  4.2906  20.593  3.9294  5.162706       5.817968 
1 1 1 -7  -11 43 o 31.821  2.5145  141.532   20.361    158.204   34.061    132.261   25.399    33.041  3.9255  30.602  3.1434  2.439438       5.028936 
1 1 1 -7  -11 44 o 45.563  2.2974  290.023   27.346    323.073   43.820    268.943   34.997    47.474  3.4701  43.653  3.0115  3.820297       4.594708 
1 1 1 -7  -11 45 o 19.855  3.3144  63.559    16.803    55.460    28.870    67.708    20.663    18.379  5.4635  21.330  3.7538  -2.950699      6.628826 
1 1 1 -7  -11 46 f 29.666  2.9300  132.897   21.409    133.551   36.299    132.548   26.512    29.139  4.8193  30.193  3.3338  -1.054377      5.860027 
1 1 1 -7  -11 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -11 48 o 19.517  3.6758  60.123    18.531    84.147    33.263    49.312    22.314    21.786  5.6520  17.248  4.7012  4.537708       7.351625 
1 1 1 -7  -11 49 o 20.345  3.7010  79.934    20.328    58.974    37.320    88.775    24.239    17.048  6.2484  23.643  3.9682  -6.595089      7.401924 
1 1 1 -7  -10 1  o 278.566 5.2527  10416.78  391.920   10478.66  554.794   10355.13  553.724   279.393 7.4136  277.739 7.4433  1.654388       10.50543 
1 1 1 -7  -10 2  o 150.824 3.0714  3049.09   124.045   3137.09   175.722   2961.68   175.132   152.995 4.2881  148.653 4.3985  4.341644       6.142824 
1 1 1 -7  -10 3  o 660.218 12.131  59026.72  2145.05   60094.76  3034.49   57959.99  3032.64   666.252 17.004  654.184 17.307  12.06738       24.26297 
1 1 1 -7  -10 4  o 220.157 4.2039  6500.27   247.847   6338.08   350.201   6663.04   350.815   217.402 6.0140  222.912 5.8757  -5.510284      8.407845 
1 1 1 -7  -10 5  o 268.276 5.0507  9657.12   362.876   9455.20   512.718   9859.78   513.652   265.462 7.2109  271.091 7.0740  -5.629425      10.10138 
1 1 1 -7  -10 6  o 447.320 8.2674  26929.16  990.490   27267.60  1400.64   26590.60  1400.89   450.146 11.617  444.495 11.766  5.650787       16.53480 
1 1 1 -7  -10 7  f 258.484 4.8690  8963.52   337.087   9049.93   476.383   8876.87   477.043   259.734 6.8476  257.233 6.9237  2.500244       9.737963 
1 1 1 -7  -10 8  o 187.436 3.6202  4709.68   181.733   4622.72   256.615   4797.17   257.406   185.698 5.1592  189.173 5.0801  -3.474274      7.240501 
1 1 1 -7  -10 9  o 132.534 2.6793  2354.01   95.099    2396.03   134.283   2311.73   134.699   133.721 3.7491  131.347 3.8287  2.374939       5.358650 
1 1 1 -7  -10 10 o 257.526 4.7890  8898.05   330.326   8957.24   467.062   8838.82   467.241   258.384 6.7487  256.667 6.7964  1.716919       9.577913 
1 1 1 -7  -10 11 o 157.092 3.1386  3307.75   132.063   3306.42   186.892   3309.08   186.638   157.061 4.4426  157.124 4.4347  -0.6356812E-01 6.277218 
1 1 1 -7  -10 12 o 347.543 6.4388  16238.73  599.380   16216.77  848.058   16260.65  847.243   347.306 9.1164  347.779 9.0953  -0.4726868     12.87761 
1 1 1 -7  -10 13 o 200.715 3.8621  5403.82   207.603   5527.21   294.427   5281.82   292.770   202.996 5.4150  198.434 5.5084  4.562607       7.724283 
1 1 1 -7  -10 14 o 74.248  1.9572  738.635   38.904    738.612   55.893    738.656   54.183    74.246  2.8105  74.250  2.7245  -0.3326416E-02 3.914323 
1 1 1 -7  -10 15 o 151.593 3.0752  3081.25   124.840   3171.67   177.649   2993.04   175.471   153.791 4.3126  149.394 4.3851  4.396683       6.150467 
1 1 1 -7  -10 16 o 220.294 4.2257  6518.50   249.337   6522.84   353.704   6514.21   351.539   220.365 5.9925  220.223 5.9597  0.1422577      8.451470 
1 1 1 -7  -10 17 o 143.493 2.9755  2761.91   114.350   2821.63   162.666   2703.56   160.781   145.027 4.1875  141.958 4.2285  3.069138       5.951093 
1 1 1 -7  -10 18 o 170.913 3.4133  3922.58   156.248   3890.33   221.522   3954.51   220.419   170.211 4.8589  171.615 4.7952  -1.404205      6.826629 
1 1 1 -7  -10 19 o 230.412 4.4491  7146.04   274.576   7193.37   388.707   7098.90   387.912   231.176 6.2775  229.648 6.3064  1.528305       8.898214 
1 1 1 -7  -10 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -10 21 o 127.633 2.7739  2186.95   94.825    2208.19   134.082   2165.70   134.124   128.255 3.9031  127.012 3.9425  1.242996       5.547745 
1 1 1 -7  -10 22 o 70.330  2.0224  663.402   38.080    637.535   53.660    689.644   54.048    68.947  2.9057  71.712  2.8138  -2.765511      4.044806 
1 1 1 -7  -10 23 o 94.320  2.3228  1193.65   58.680    1182.77   82.625    1204.71   83.353    93.886  3.2857  94.753  3.2843  -0.8670273     4.645632 
1 1 1 -7  -10 24 o 91.738  2.3124  1130.56   56.755    1183.59   79.845    1076.41   80.687    93.920  3.1740  89.556  3.3637  4.364250       4.624793 
1 1 1 -7  -10 25 o 60.979  2.0724  500.915   33.683    534.015   47.048    466.110   48.244    63.098  2.7838  58.861  3.0707  4.237556       4.144732 
1 1 1 -7  -10 26 o 78.409  2.2112  825.470   46.408    840.609   64.837    809.567   66.453    79.150  3.0583  77.668  3.1944  1.481956       4.422373 
1 1 1 -7  -10 27 o 106.859 2.5383  1533.10   72.637    1494.32   101.690   1573.50   103.789   105.479 3.5993  108.239 3.5800  -2.760178      5.076575 
1 1 1 -7  -10 28 o 90.203  2.3550  1092.35   56.887    1071.71   79.513    1113.99   81.422    89.331  3.3231  91.075  3.3377  -1.743851      4.709953 
1 1 1 -7  -10 29 o 62.840  2.1276  529.825   35.795    514.672   49.714    546.137   51.580    61.909  2.9981  63.772  3.0197  -1.863117      4.255230 
1 1 1 -7  -10 30 o 110.609 2.6474  1647.53   78.396    1667.40   109.595   1626.70   112.187   111.302 3.6762  109.915 3.8106  1.387268       5.294828 
1 1 1 -7  -10 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -10 32 o 31.173  2.3651  132.100   19.406    122.999   26.722    142.256   28.228    30.021  3.3821  32.325  3.3068  -2.303917      4.730109 
1 1 1 -7  -10 33 o 95.020  2.4101  1222.98   61.133    1161.80   88.709    1278.31   84.365    92.711  3.5723  97.329  3.2362  -4.618095      4.820176 
1 1 1 -7  -10 34 o 42.657  2.0034  242.715   22.579    284.483   34.473    211.337   29.879    45.837  2.8216  39.478  2.8448  6.359013       4.006754 
1 1 1 -7  -10 35 o 55.587  2.0815  423.092   30.493    384.116   45.649    454.499   40.976    53.148  3.2219  58.026  2.6364  -4.878475      4.163079 
1 1 1 -7  -10 36 o 28.143  2.3577  112.512   16.717    92.628    25.803    126.896   21.946    25.773  3.8562  30.512  2.7136  -4.738972      4.715307 
1 1 1 -7  -10 37 f 25.565  2.5483  96.476    15.848    67.580    24.405    117.545   20.839    21.787  4.3344  29.343  2.6811  -7.555063      5.096631 
1 1 1 -7  -10 38 o 35.842  2.2214  177.249   20.588    172.174   32.600    180.615   26.553    35.307  3.4930  36.377  2.7454  -1.070480      4.442794 
1 1 1 -7  -10 39 o 23.994  2.7842  85.974    16.162    66.503    26.489    97.523    20.400    21.392  4.7469  26.597  2.9112  -5.204155      5.568495 
1 1 1 -7  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -10 41 o 31.662  2.4826  143.916   19.763    128.351   31.789    153.721   25.231    29.973  4.0645  33.350  2.8519  -3.377745      4.965266 
1 1 1 -7  -10 42 o 39.793  2.3571  220.092   24.238    231.658   39.340    213.015   30.772    40.441  3.6718  39.146  2.9566  1.295376       4.714222 
1 1 1 -7  -10 43 o 17.088  3.1114  46.742    14.627    29.654    24.291    56.463    18.322    14.476  5.0721  19.700  3.6050  -5.224616      6.222741 
1 1 1 -7  -10 44 o 22.640  3.0927  74.006    17.460    92.183    29.718    64.424    21.577    24.519  4.6960  20.760  4.0257  3.759027       6.185406 
1 1 1 -7  -10 45 o 19.646  3.3420  56.890    16.528    74.268    29.279    48.762    20.023    21.494  5.1527  17.797  4.2575  3.696856       6.684045 
1 1 1 -7  -10 46 o 11.509  3.2311  13.861    14.105    19.424    24.683    11.164    17.188    12.612  4.9688  10.407  4.1316  2.205088       6.462124 
1 1 1 -7  -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -10 48 o 12.258  3.0417  20.132    15.357    -19.7330  27.349    38.490    18.559    9.0710  4.2851  15.445  4.3182  -6.373490      6.083476 
1 1 1 -7  -10 49 o 27.819  3.3969  130.061   22.543    130.739   39.921    129.743   27.315    26.602  5.7688  29.036  3.5885  -2.433985      6.793887 
1 1 1 -7  -9  1  o 137.805 2.8938  2544.96   106.799   2507.20   151.353   2582.41   150.721   136.786 4.1311  138.824 4.0534  -2.037918      5.787556 
1 1 1 -7  -9  2  o 275.374 5.1655  10178.43  380.633   10706.31  538.912   9652.97   537.682   282.513 7.1218  268.234 7.4838  14.27982       10.33091 
1 1 1 -7  -9  3  o 416.374 7.6670  23305.46  854.912   22787.61  1208.57   23824.10  1209.48   411.728 10.959  421.020 10.725  -9.292664      15.33404 
1 1 1 -7  -9  4  o 433.049 7.9784  25213.54  925.386   25467.43  1308.62   24959.59  1308.77   435.238 11.225  430.860 11.341  4.378357       15.95673 
1 1 1 -7  -9  5  o 212.903 4.0837  6076.78   232.851   5967.84   328.812   6186.38   329.791   210.987 5.8184  214.819 5.7316  -3.831680      8.167330 
1 1 1 -7  -9  6  o 545.920 10.072  40160.66  1472.69   40566.61  2082.60   39754.63  2082.81   548.697 14.170  543.144 14.317  5.553345       20.14381 
1 1 1 -7  -9  7  f 137.244 2.7756  2524.23   102.015   2572.30   143.953   2475.73   144.590   138.558 3.8788  135.931 3.9713  2.627121       5.551260 
1 1 1 -7  -9  8  o 271.343 5.0726  9877.16   368.604   9653.90   520.838   10101.19  521.732   268.266 7.2485  274.420 7.0981  -6.153656      10.14514 
1 1 1 -7  -9  9  o 648.938 11.924  56918.73  2072.18   58187.73  2931.34   55651.17  2929.67   656.233 16.677  641.643 17.047  14.58997       23.84758 
1 1 1 -7  -9  10 o 810.582 14.977  89311.52  3251.56   89937.17  4599.02   88686.22  4597.79   813.461 21.108  807.703 21.252  5.758484       29.95324 
1 1 1 -7  -9  11 o 143.988 2.9435  2778.31   113.521   2775.90   160.973   2780.70   160.117   143.926 4.1757  144.051 4.1499  -0.1249695     5.887052 
1 1 1 -7  -9  12 o 169.323 3.3430  3844.12   151.561   3743.64   214.958   3943.46   213.727   167.120 4.8022  171.527 4.6520  -4.406738      6.685938 
1 1 1 -7  -9  13 o 556.110 10.228  41782.41  1523.35   42572.68  2155.89   40994.42  2152.80   561.404 14.337  550.816 14.592  10.58862       20.45659 
1 1 1 -7  -9  14 o 248.644 4.7430  8297.34   315.873   8358.79   447.812   8236.49   445.620   249.561 6.6993  247.727 6.7159  1.833664       9.485970 
1 1 1 -7  -9  15 f 254.796 4.8481  8719.12   330.802   8548.04   468.750   8888.86   466.905   252.298 6.9365  257.294 6.7750  -4.996597      9.696141 
1 1 1 -7  -9  16 o 166.276 3.3351  3708.88   148.509   3649.11   210.708   3767.88   209.345   164.942 4.7694  167.610 4.6631  -2.668335      6.670195 
1 1 1 -7  -9  17 o 442.084 8.2631  26466.48  978.432   26312.83  1384.02   26619.99  1383.40   440.786 11.723  443.383 11.649  -2.596191      16.52619 
1 1 1 -7  -9  18 o 242.425 4.6516  7904.24   302.042   7929.26   427.275   7879.24   427.030   242.809 6.5698  242.040 6.5869  0.7697906      9.303225 
1 1 1 -7  -9  19 o 170.034 3.4306  3883.15   156.192   3768.29   220.739   3998.32   221.038   167.508 4.9199  172.559 4.7823  -5.050140      6.861186 
1 1 1 -7  -9  20 o 112.105 5.0109  1688.72   150.465   0.0000    0.0000    1688.72   150.465   ?       ?       112.105 5.0109  ?              ?        
1 1 1 -7  -9  21 o 105.403 4.9359  1493.23   139.351   1493.23   139.351   0.0000    0.0000    105.403 4.9359  ?       ?       ?              ?        
1 1 1 -7  -9  22 o 81.880  2.1584  899.981   47.294    936.516   66.542    862.684   67.232    83.564  2.9729  80.196  3.1299  3.367775       4.316798 
1 1 1 -7  -9  23 o 121.649 2.6998  1987.73   87.934    2037.83   123.759   1936.65   124.963   123.204 3.7503  120.095 3.8848  3.108246       5.399654 
1 1 1 -7  -9  24 o 161.459 3.3217  3505.28   143.647   3464.46   202.226   3546.84   204.081   160.509 4.7038  162.408 4.6914  -1.898941      6.643419 
1 1 1 -7  -9  25 o 241.286 4.6840  7863.83   302.697   7935.04   427.062   7791.94   429.102   242.398 6.5777  240.174 6.6703  2.223953       9.367943 
1 1 1 -7  -9  26 f 61.492  2.1085  506.895   34.714    491.059   48.297    523.819   49.929    60.499  2.9805  62.484  2.9833  -1.985332      4.217001 
1 1 1 -7  -9  27 o 78.740  2.2116  831.135   46.614    793.183   64.775    871.903   67.133    76.876  3.1457  80.603  3.1096  -3.726563      4.423241 
1 1 1 -7  -9  28 o 40.554  2.1163  222.464   22.755    230.454   31.357    213.577   33.071    41.344  2.8490  39.765  3.1303  1.579086       4.232684 
1 1 1 -7  -9  29 o 82.243  2.2807  909.010   50.197    921.101   69.825    896.077   72.214    82.815  3.1479  81.671  3.3012  1.144173       4.561422 
1 1 1 -7  -9  30 o 44.683  2.1679  269.181   25.769    255.698   35.768    283.733   37.156    43.513  3.0890  45.853  3.0426  -2.340019      4.335817 
1 1 1 -7  -9  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -9  32 o 115.388 2.6477  1796.04   81.776    1820.41   118.162   1773.63   113.290   116.126 3.7989  114.650 3.6892  1.475906       5.295464 
1 1 1 -7  -9  33 o 75.944  2.1788  777.721   44.197    775.256   64.915    779.850   60.343    75.812  3.1968  76.075  2.9614  -0.2627640     4.357681 
1 1 1 -7  -9  34 o 41.874  2.0037  232.561   22.099    278.009   34.302    200.311   28.896    45.311  2.8407  38.436  2.8266  6.875858       4.007408 
1 1 1 -7  -9  35 o 50.822  2.0144  348.483   27.127    363.560   41.164    336.909   36.066    51.764  2.9816  49.881  2.7096  1.882439       4.028872 
1 1 1 -7  -9  36 o 87.992  2.3379  1050.27   54.961    1077.11   81.072    1027.44   74.763    88.994  3.4011  86.991  3.2087  2.003220       4.675831 
1 1 1 -7  -9  37 o 12.538  2.7987  21.252    11.502    4.8011    18.615    31.413    14.629    10.205  4.2086  14.871  3.6903  -4.665546      5.597367 
1 1 1 -7  -9  38 o 26.254  2.4708  97.979    16.342    85.882    25.580    106.322   21.243    24.682  4.0066  27.825  2.8925  -3.142866      4.941617 
1 1 1 -7  -9  39 o 16.919  2.8090  45.733    13.369    16.106    21.722    63.795    16.961    12.420  4.7230  21.417  3.0422  -8.997314      5.618020 
1 1 1 -7  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -9  41 o 24.509  3.0072  98.248    17.314    54.454    28.402    124.145   21.841    19.036  5.3488  29.983  2.7503  -10.94704      6.014469 
1 1 1 -7  -9  42 o 22.619  3.0448  72.800    17.074    83.873    29.240    67.072    21.033    23.696  4.7720  21.542  3.7831  2.153448       6.089684 
1 1 1 -7  -9  43 o 13.652  3.2256  27.053    13.811    19.805    23.652    30.804    17.013    12.894  4.9224  14.409  4.1699  -1.514395      6.451175 
1 1 1 -7  -9  44 o 14.939  3.2870  35.134    14.662    22.729    26.436    40.646    17.621    13.468  5.1886  16.410  4.0368  -2.942111      6.573951 
1 1 1 -7  -9  45 f 22.724  3.2192  83.751    17.963    66.922    30.417    92.763    22.259    20.175  5.4847  25.273  3.3723  -5.097918      6.438460 
1 1 1 -7  -9  46 o 15.826  3.4368  40.930    15.907    31.566    28.219    45.291    19.259    14.572  5.4168  17.080  4.2315  -2.507945      6.873654 
1 1 1 -7  -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -9  48 o 22.369  3.3087  101.517   20.424    29.242    35.925    136.032   24.826    14.238  5.8562  30.499  3.0813  -16.26070      6.617364 
1 1 1 -7  -9  49 o 23.623  3.6248  112.144   22.087    63.829    39.001    134.956   26.799    17.478  6.3903  29.767  3.4235  -12.28873      7.249587 
1 1 1 -7  -8  1  o 574.165 10.547  44450.09  1621.14   46175.67  2294.40   42729.80  2290.88   585.365 14.634  562.964 15.193  22.40076       21.09407 
1 1 1 -7  -8  2  o 519.472 9.5236  36339.81  1324.33   37804.20  1874.19   34879.46  1871.60   529.981 13.203  508.964 13.729  21.01645       19.04717 
1 1 1 -7  -8  3  o 432.822 7.9917  25180.05  926.440   24894.09  1309.77   25466.37  1310.60   430.354 11.363  435.289 11.241  -4.935333      15.98339 
1 1 1 -7  -8  4  o 565.462 10.394  43083.14  1574.23   43241.79  2226.08   42924.43  2226.53   566.510 14.670  564.414 14.728  2.096130       20.78784 
1 1 1 -7  -8  5  o 387.773 7.1670  20196.88  744.352   19921.73  1052.06   20472.67  1053.29   385.122 10.199  390.425 10.072  -5.303101      14.33405 
1 1 1 -7  -8  6  o 195.402 3.7601  5117.57   196.790   5071.46   277.880   5163.95   278.729   194.519 5.3334  196.286 5.3016  -1.766663      7.520107 
1 1 1 -7  -8  7  o 773.821 14.178  81114.91  2938.31   82347.46  4156.04   79883.13  4154.75   779.765 19.899  767.878 20.201  11.88684       28.35535 
1 1 1 -7  -8  8  f 819.203 15.091  91053.43  3311.30   90619.09  4682.41   91487.96  4683.38   817.224 21.391  821.182 21.293  -3.957581      30.18229 
1 1 1 -7  -8  9  o 43.818  1.7107  257.957   19.974    275.060   28.492    241.428   28.011    45.254  2.3587  42.382  2.4783  2.872021       3.421318 
1 1 1 -7  -8  10 o 240.432 4.5720  7752.06   294.384   7931.28   416.923   7573.87   415.724   243.206 6.4002  237.657 6.5308  5.549118       9.144044 
1 1 1 -7  -8  11 o 158.353 3.1475  3360.07   133.491   3411.81   189.595   3309.21   187.984   159.562 4.4362  157.144 4.4662  2.418030       6.294941 
1 1 1 -7  -8  12 o 399.733 7.3917  21477.66  791.330   21854.94  1120.38   21102.08  1117.85   403.247 10.373  396.219 10.533  7.028290       14.78331 
1 1 1 -7  -8  13 o 256.457 4.8632  8823.05   334.031   8982.69   473.630   8665.07   471.164   258.767 6.8335  254.146 6.9215  4.621506       9.726423 
1 1 1 -7  -8  14 o 426.965 7.9132  24537.66  904.920   24272.19  1280.48   24802.54  1279.02   424.645 11.258  429.285 11.124  -4.639923      15.82638 
1 1 1 -7  -8  15 o 387.430 7.1942  20199.92  746.515   19950.04  1056.13   20449.43  1055.34   385.023 10.241  389.837 10.107  -4.813690      14.38843 
1 1 1 -7  -8  16 o 224.881 4.3482  6788.00   261.871   6650.87   370.415   6925.02   370.267   222.606 6.2125  227.157 6.0855  -4.551529      8.696463 
1 1 1 -7  -8  17 o 153.293 3.1275  3151.34   128.414   3138.79   181.557   3163.91   181.654   152.987 4.4307  153.599 4.4154  -0.6117859     6.255082 
1 1 1 -7  -8  18 o 242.726 4.6596  7919.96   302.913   7795.54   428.020   8044.79   428.748   240.810 6.6359  244.642 6.5431  -3.832260      9.319178 
1 1 1 -7  -8  19 o 323.234 6.0897  14101.19  527.226   14156.73  745.230   14045.54  745.992   323.878 8.5905  322.591 8.6336  1.286835       12.17936 
1 1 1 -7  -8  20 o 76.684  2.0770  788.498   42.654    797.847   60.017    778.956   60.632    77.145  2.9046  76.224  2.9698  0.9205780      4.154034 
1 1 1 -7  -8  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -8  22 o 313.442 5.9446  13302.70  499.041   13083.59  704.652   13523.18  706.853   310.829 8.4638  316.055 8.3498  -5.225220      11.88929 
1 1 1 -7  -8  23 o 119.684 2.6694  1922.78   85.567    1904.60   120.155   1941.49   121.884   119.111 3.7662  120.257 3.7840  -1.146423      5.338778 
1 1 1 -7  -8  24 o 223.937 4.3811  6764.38   262.719   6913.50   370.627   6613.79   372.460   226.439 6.1108  221.434 6.2798  5.004578       8.762282 
1 1 1 -7  -8  25 o 269.039 5.1586  9792.54   371.732   9768.30   524.567   9816.98   526.859   268.708 7.2884  269.371 7.3022  -0.6635437     10.31711 
1 1 1 -7  -8  26 o 167.168 3.4421  3759.75   154.113   3698.34   216.706   3822.60   219.212   165.785 4.8802  168.551 4.8556  -2.766159      6.884269 
1 1 1 -7  -8  27 o 147.269 3.1567  2916.93   124.505   2923.63   174.955   2910.05   177.220   147.445 4.4300  147.093 4.4981  0.3520966      6.313358 
1 1 1 -7  -8  28 o 149.147 3.1756  2993.26   126.851   2988.26   178.171   2998.40   180.641   149.025 4.4637  149.269 4.5181  -0.2440033     6.351209 
1 1 1 -7  -8  29 o 28.077  2.2144  104.964   16.175    128.210   24.921    88.041    21.262    30.749  3.0667  25.405  3.1953  5.343864       4.428854 
1 1 1 -7  -8  30 o 96.916  2.4340  1268.25   62.916    1179.26   91.047    1349.59   87.042    93.626  3.6306  100.205 3.2430  -6.579376      4.868090 
1 1 1 -7  -8  31 o 70.529  3.1608  673.102   59.335    715.831   86.088    634.433   81.895    72.670  4.4442  68.388  4.4959  4.282036       6.321682 
1 1 1 -7  -8  32 o 139.984 3.0576  2653.59   114.498   2580.62   164.674   2721.89   159.309   138.076 4.4526  141.891 4.1918  -3.814362      6.115286 
1 1 1 -7  -8  33 o 115.209 2.6710  1794.68   82.333    1803.19   119.392   1786.97   113.690   115.444 3.8611  114.974 3.6918  0.4700089      5.342037 
1 1 1 -7  -8  34 f 64.753  2.1243  569.022   36.507    544.712   54.312    589.060   49.309    63.410  3.2082  66.096  2.7853  -2.685753      4.248555 
1 1 1 -7  -8  35 o 35.246  2.0775  164.108   19.137    202.500   30.325    138.699   24.670    38.590  2.9563  31.902  2.9195  6.687395       4.154908 
1 1 1 -7  -8  36 o 27.197  2.4147  106.312   16.296    84.362    25.498    121.469   21.189    24.537  4.0188  29.858  2.6779  -5.320679      4.829318 
1 1 1 -7  -8  37 o 14.539  3.0048  29.282    12.102    30.797    20.150    28.427    15.136    14.901  4.5932  14.177  3.8752  0.7243900      6.009570 
1 1 1 -7  -8  38 o 58.947  2.2819  486.857   34.885    405.980   52.969    548.806   46.358    54.298  3.6635  63.596  2.7215  -9.298489      4.563763 
1 1 1 -7  -8  39 o 32.473  2.3351  144.452   19.476    151.780   31.709    140.013   24.680    33.023  3.6457  31.923  2.9187  1.100048       4.670118 
1 1 1 -7  -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -8  41 o 31.806  2.4126  137.645   19.671    159.254   32.652    125.335   24.645    33.611  3.6875  30.001  3.1122  3.610130       4.825292 
1 1 1 -7  -8  42 o 29.274  2.6311  120.593   19.456    128.963   32.347    115.849   24.354    29.849  4.1589  28.698  3.2240  1.150652       5.262242 
1 1 1 -7  -8  43 o 24.257  2.9718  85.724    17.544    90.543    30.726    83.393    21.370    24.387  4.8742  24.127  3.4011  0.2604065      5.943514 
1 1 1 -7  -8  44 o 23.773  3.0914  86.632    17.813    81.064    30.810    89.428    21.832    22.641  5.1914  24.906  3.3583  -2.265366      6.182892 
1 1 1 -7  -8  45 o 20.150  3.4016  64.609    17.340    61.610    30.474    66.045    21.087    19.306  5.5790  20.994  3.8934  -1.688122      6.803224 
1 1 1 -7  -8  46 o 26.401  3.3060  115.388   20.483    89.788    35.709    127.941   25.006    23.027  5.7944  29.776  3.1848  -6.749140      6.611985 
1 1 1 -7  -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -8  48 o 13.533  3.5408  22.202    15.722    48.087    30.189    12.568    18.417    16.457  5.6608  10.609  4.2551  5.847947       7.081668 
1 1 1 -7  -7  1  o 233.307 4.4632  7298.06   278.902   7235.76   394.685   7360.20   394.169   232.311 6.3430  234.303 6.2808  -1.991608      8.926471 
1 1 1 -7  -7  2  f 128.922 2.7036  2226.88   93.358    2240.93   132.020   2212.83   132.036   129.329 3.8111  128.516 3.8357  0.8136139      5.407167 
1 1 1 -7  -7  3  o 67.712  1.8050  614.485   32.717    634.145   46.051    594.448   46.491    68.806  2.4988  66.617  2.6055  2.188942       3.610054 
1 1 1 -7  -7  4  o 244.128 6.4784  8018.78   421.658   7092.77   593.539   8962.32   599.130   229.835 9.6415  258.421 8.6557  -28.58578      12.95686 
1 1 1 -7  -7  5  o 204.945 3.8758  5630.10   212.751   5676.93   300.476   5583.01   301.276   205.801 5.4510  204.089 5.5113  1.711365       7.751618 
1 1 1 -7  -7  6  o 294.044 5.4224  11598.47  427.054   11493.44  603.505   11703.80  604.387   292.709 7.6976  295.379 7.6392  -2.670197      10.84481 
1 1 1 -7  -7  7  o 768.211 14.097  79923.19  2899.97   81854.15  4102.48   77994.67  4099.88   777.587 19.697  758.835 20.171  18.75140       28.19342 
1 1 1 -7  -7  8  o 472.439 8.6331  30018.32  1092.34   29515.44  1544.40   30521.73  1545.20   468.464 12.308  476.415 12.109  -7.951233      17.26620 
1 1 1 -7  -7  9  o 1011.59 18.786  139781.70 5089.91   140971.09 7199.51   138593.20 7196.93   1015.97 26.456  1007.21 26.677  8.769043       37.57148 
1 1 1 -7  -7  10 o 364.510 6.7639  17841.15  660.351   18075.26  934.813   17607.98  932.945   366.902 9.5123  362.118 9.6187  4.784149       13.52786 
1 1 1 -7  -7  11 o 535.278 9.8767  38593.25  1416.01   38260.81  2003.28   38925.20  2001.81   532.960 14.033  537.596 13.902  -4.636292      19.75341 
1 1 1 -7  -7  12 o 274.035 5.1356  10073.34  376.909   10271.61  534.284   9876.93   531.784   276.722 7.2084  271.347 7.3168  5.375092       10.27115 
1 1 1 -7  -7  13 o 174.669 3.4596  4089.04   161.855   4097.65   229.671   4080.56   228.133   174.851 4.9040  174.486 4.8813  0.3642883      6.919278 
1 1 1 -7  -7  14 o 469.350 8.6440  29659.79  1086.68   29591.85  1537.07   29727.67  1536.51   468.810 12.241  469.891 12.208  -1.081207      17.28799 
1 1 1 -7  -7  15 o 424.463 7.8418  24249.48  891.540   24094.43  1260.73   24404.58  1260.93   423.099 11.125  425.827 11.055  -2.727722      15.68369 
1 1 1 -7  -7  16 o 278.297 5.2668  10400.35  392.589   10330.31  554.928   10470.53  555.481   277.357 7.4698  279.238 7.4269  -1.880371      10.53358 
1 1 1 -7  -7  17 o 205.099 4.0024  5644.48   219.874   5607.58   310.517   5681.59   311.382   204.426 5.6710  205.772 5.6496  -1.346054      8.004888 
1 1 1 -7  -7  18 f 168.242 3.3949  3797.40   152.983   3794.38   215.811   3800.46   216.895   168.175 4.7910  168.309 4.8112  -0.1336060     6.789785 
1 1 1 -7  -7  19 o 108.031 2.4938  1565.42   72.132    1599.08   101.405   1530.95   102.626   109.209 3.4667  106.852 3.5858  2.356377       4.987534 
1 1 1 -7  -7  20 o 93.936  2.3037  1184.99   57.868    1250.64   81.303    1117.59   82.383    96.581  3.1429  91.291  3.3691  5.289406       4.607476 
1 1 1 -7  -7  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -7  22 o 104.999 2.4729  1480.38   69.492    1529.54   97.567    1429.76   99.002    106.775 3.4115  103.224 3.5808  3.550812       4.945741 
1 1 1 -7  -7  23 o 144.530 3.0604  2805.94   118.468   2764.44   166.674   2848.32   168.419   143.449 4.3379  145.611 4.3183  -2.162216      6.120854 
1 1 1 -7  -7  24 f 199.645 3.9475  5367.54   211.088   5317.56   297.520   5418.19   299.538   198.708 5.5900  200.583 5.5753  -1.874146      7.895079 
1 1 1 -7  -7  25 o 64.504  2.0695  558.417   35.727    566.429   49.772    549.900   51.316    64.984  2.8595  64.024  2.9924  0.9598846      4.138972 
1 1 1 -7  -7  26 o 55.040  2.1031  407.525   30.877    405.231   42.992    409.969   44.373    54.883  2.9352  55.197  3.0127  -0.3140221     4.206191 
1 1 1 -7  -7  27 o 98.049  2.3668  1289.26   61.574    1539.83   89.402    1063.14   84.927    107.119 3.1160  88.979  3.5634  18.13932       4.733637 
1 1 1 -7  -7  28 o 100.801 2.4022  1361.24   64.689    1507.11   93.786    1228.86   89.344    105.948 3.3049  95.655  3.4871  10.29271       4.804397 
1 1 1 -7  -7  29 o 48.332  1.9887  314.622   25.486    314.082   38.107    315.060   34.280    48.280  2.9611  48.384  2.6553  -0.1041756     3.977337 
1 1 1 -7  -7  30 o 33.104  2.0975  145.830   18.218    166.919   28.303    130.913   23.804    35.119  3.0388  31.088  2.8919  4.030779       4.194928 
1 1 1 -7  -7  31 o 78.552  2.1971  828.451   46.102    846.610   68.051    813.047   62.676    79.336  3.2024  77.767  3.0089  1.568756       4.394218 
1 1 1 -7  -7  32 o 62.084  2.0871  517.858   34.556    526.496   51.506    510.787   46.602    62.542  3.0747  61.626  2.8232  0.9157219      4.174237 
1 1 1 -7  -7  33 o 30.774  2.1778  124.933   17.298    167.542   27.030    95.379    22.511    35.151  2.8967  26.396  3.2528  8.755096       4.355628 
1 1 1 -7  -7  34 o 14.535  2.8729  27.636    11.688    40.470    18.552    19.189    15.052    16.925  4.1290  12.145  3.9958  4.780223       5.745860 
1 1 1 -7  -7  35 o 38.313  2.0802  198.663   20.978    206.131   32.212    193.163   27.643    38.903  3.1175  37.722  2.7550  1.180912       4.160399 
1 1 1 -7  -7  36 o 59.816  2.1544  489.221   34.039    459.974   51.237    512.327   45.541    58.093  3.3065  61.538  2.7629  -3.444973      4.308899 
1 1 1 -7  -7  37 o 50.421  2.0735  340.588   27.609    386.120   42.871    308.323   36.088    53.239  3.0188  47.603  2.8434  5.635914       4.147038 
1 1 1 -7  -7  38 o 22.865  2.7968  78.709    15.459    57.918    25.362    91.000    19.501    20.006  4.7954  25.723  2.8797  -5.717487      5.593624 
1 1 1 -7  -7  39 o 60.973  2.1662  500.573   35.026    574.475   53.869    446.445   46.102    64.837  3.1019  57.110  3.0246  7.726223       4.332470 
1 1 1 -7  -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -7  41 o 13.149  3.0328  17.680    12.696    41.910    21.808    5.2592    15.614    16.849  4.6703  9.4487  3.8705  7.400229       6.065679 
1 1 1 -7  -7  42 o 39.066  2.3603  209.963   23.825    233.847   39.099    195.857   30.048    40.642  3.6298  37.489  3.0180  3.153606       4.720617 
1 1 1 -7  -7  43 o 38.004  2.3765  198.550   23.263    231.789   38.714    179.766   29.103    40.258  3.6293  35.751  3.0690  4.507038       4.752962 
1 1 1 -7  -7  44 o 25.614  2.9869  95.828    18.876    106.335   32.458    90.459    23.203    26.298  4.7841  24.929  3.5775  1.369547       5.973799 
1 1 1 -7  -7  45 o 54.851  2.3475  412.990   33.528    528.578   55.043    344.802   42.277    60.612  3.4042  49.091  3.2333  11.52099       4.695021 
1 1 1 -7  -7  46 o 39.037  2.5062  203.177   24.723    305.603   43.067    152.835   30.193    45.776  3.5400  32.297  3.5487  13.47869       5.012487 
1 1 1 -7  -7  47 o 10.184  3.1604  2.0561    15.247    5.0418    28.094    0.8094    18.154    11.283  4.9247  9.0850  3.9623  2.197729       6.320761 
1 1 1 -7  -7  48 o 12.480  3.4622  13.422    15.674    43.657    30.360    2.4361    18.301    15.762  5.6557  9.1975  3.9951  6.564028       6.924478 
1 1 1 -7  -6  1  o 416.347 10.916  23373.33  1217.20   23716.50  1723.28   23031.66  1719.49   419.414 15.340  413.279 15.533  6.134888       21.83122 
1 1 1 -7  -6  2  o 108.464 2.3621  1576.04   68.624    1574.37   96.930    1577.73   97.167    108.406 3.3382  108.522 3.3428  -0.1154251     4.724230 
1 1 1 -7  -6  3  o 443.702 8.1296  26467.36  966.111   26789.78  1366.23   26144.89  1366.35   446.415 11.426  440.989 11.568  5.426453       16.25927 
1 1 1 -7  -6  4  o 433.090 7.9959  25212.56  927.543   25241.26  1311.36   25183.83  1312.12   433.338 11.298  432.842 11.318  0.4960327      15.99180 
1 1 1 -7  -6  5  o 289.308 5.3944  11228.64  417.981   11044.10  590.619   11413.81  591.612   286.923 7.6852  291.693 7.5722  -4.770233      10.78887 
1 1 1 -7  -6  6  o 74.574  2.7759  765.166   53.589    565.764   76.988    952.586   74.639    64.824  4.4612  84.325  3.3046  -19.50040      5.551836 
1 1 1 -7  -6  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -6  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -6  9  o 554.114 10.166  41362.37  1508.62   42030.85  2134.83   40695.54  2132.20   558.610 14.268  549.617 14.484  8.992859       20.33113 
1 1 1 -7  -6  10 f 539.782 9.9141  39237.10  1433.37   39420.86  2028.27   39053.77  2025.91   541.050 13.996  538.514 14.045  2.535522       19.82819 
1 1 1 -7  -6  11 o 224.481 4.2990  6755.73   258.481   6769.45   366.478   6742.15   364.624   224.707 6.0889  224.255 6.0704  0.4528198      8.597930 
1 1 1 -7  -6  12 o 357.666 6.6657  17177.72  638.538   16959.85  903.325   17395.30  902.732   355.393 9.4896  359.939 9.3636  -4.546021      13.33146 
1 1 1 -7  -6  13 o 353.646 6.5811  16797.19  623.193   16310.46  881.089   17284.46  881.568   348.505 9.4389  358.787 9.1734  -10.28201      13.16222 
1 1 1 -7  -6  14 o 488.980 9.0223  32196.05  1181.58   31704.05  1670.48   32688.65  1671.52   485.222 12.853  492.738 12.665  -7.515961      18.04462 
1 1 1 -7  -6  15 o 486.868 8.9731  31935.39  1170.15   32102.65  1654.61   31768.05  1655.05   488.151 12.655  485.585 12.725  2.566589       17.94627 
1 1 1 -7  -6  16 o 369.703 6.8667  18380.47  679.916   18106.31  960.728   18655.57  962.367   366.931 9.7752  372.475 9.6462  -5.544189      13.73332 
1 1 1 -7  -6  17 o 90.176  2.2232  1089.53   53.692    1084.27   75.351    1094.96   76.527    89.955  3.1274  90.397  3.1606  -0.4420242     4.446334 
1 1 1 -7  -6  18 o 377.278 7.0321  19195.22  710.445   18679.94  1003.53   19712.96  1005.92   372.169 10.067  382.386 9.8213  -10.21640      14.06427 
1 1 1 -7  -6  19 o 277.633 5.2865  10373.87  393.121   10381.88  555.211   10365.81  556.707   277.743 7.4632  277.523 7.4892  0.2196960      10.57300 
1 1 1 -7  -6  20 o 306.797 5.7973  12698.67  476.360   12497.79  672.771   12900.62  674.582   304.349 8.2529  309.245 8.1441  -4.896027      11.59470 
1 1 1 -7  -6  21 o 261.191 5.0084  9196.05   350.373   9082.62   494.672   9310.25   496.338   259.567 7.1150  262.815 7.0508  -3.248016      10.01687 
1 1 1 -7  -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -6  23 o 158.496 3.2913  3376.42   139.715   3395.63   196.834   3356.91   198.349   158.954 4.6232  158.038 4.6858  0.9163971      6.582551 
1 1 1 -7  -6  24 o 52.917  1.9365  380.998   27.012    327.375   39.454    428.308   37.059    49.311  3.0014  56.522  2.4479  -7.210743      3.873081 
1 1 1 -7  -6  25 o 43.112  1.8833  249.068   21.587    267.153   31.913    233.811   29.311    44.552  2.6868  41.673  2.6396  2.879490       3.766538 
1 1 1 -7  -6  26 o 119.767 2.7119  1929.26   86.869    1855.55   124.616   1998.94   121.160   117.527 3.9586  122.007 3.7075  -4.479309      5.423713 
1 1 1 -7  -6  27 f 173.816 3.4832  4065.64   161.917   4375.37   231.476   3768.88   226.573   180.320 4.7926  167.311 5.0558  13.00824       6.966397 
1 1 1 -7  -6  28 o 106.332 2.5345  1519.74   72.097    1495.89   104.100   1541.73   99.949    105.521 3.6832  107.144 3.4828  -1.622269      5.069060 
1 1 1 -7  -6  29 o 72.244  2.1265  700.563   41.029    702.351   60.405    699.032   55.905    72.323  3.1182  72.165  2.8922  0.1578293      4.253028 
1 1 1 -7  -6  30 f 40.632  2.0247  218.467   21.572    277.522   32.943    174.133   28.543    45.384  2.7226  35.880  2.9974  9.503777       4.049314 
1 1 1 -7  -6  31 o 41.423  2.5988  217.357   25.654    268.868   50.570    199.508   29.768    44.429  4.3035  38.418  2.9146  6.010612       5.197594 
1 1 1 -7  -6  32 o 92.387  2.4347  1157.06   59.883    1065.49   87.278    1238.52   82.315    88.874  3.6664  95.900  3.2046  -7.026245      4.869493 
1 1 1 -7  -6  33 o 57.148  2.0499  440.361   31.130    442.267   46.653    438.831   41.797    57.201  3.0560  57.095  2.7331  0.1063881      4.099887 
1 1 1 -7  -6  34 o 9.4522  2.5267  6.5252    9.7267    -7.9281   15.347    16.228    12.575    7.7456  3.4936  11.159  3.6513  -3.413201      5.053436 
1 1 1 -7  -6  35 o 43.678  2.1432  264.488   24.284    230.487   37.177    289.793   32.073    41.083  3.4092  46.272  2.5983  -5.188152      4.286498 
1 1 1 -7  -6  36 o 42.677  2.0969  247.111   23.464    252.785   36.627    243.161   30.557    43.036  3.2004  42.318  2.7101  0.7181969      4.193730 
1 1 1 -7  -6  37 o 16.158  2.7960  32.556    12.767    63.018    20.659    13.734    16.239    21.158  3.7844  11.159  4.1168  9.998738       5.591927 
1 1 1 -7  -6  38 o 17.222  2.9588  46.020    14.009    23.190    22.766    59.933    17.772    13.737  4.9009  20.706  3.3164  -6.968630      5.917530 
1 1 1 -7  -6  39 o 29.175  2.6476  125.107   18.778    98.623    30.454    141.353   23.852    26.249  4.4930  32.101  2.8021  -5.851976      5.295208 
1 1 1 -7  -6  40 o 26.829  2.9736  103.075   20.370    126.901   29.460    81.249    28.196    30.031  3.7437  23.627  4.6210  6.403904       5.947129 
1 1 1 -7  -6  41 o 13.383  3.2495  24.313    13.927    19.511    23.205    27.016    17.411    12.997  4.8960  13.770  4.2739  -0.7729073     6.498965 
1 1 1 -7  -6  42 o 11.685  3.1034  15.796    13.501    1.5940    23.807    22.528    16.391    10.680  4.5978  12.691  4.1696  -2.011096      6.206824 
1 1 1 -7  -6  43 o 30.583  2.5903  126.251   20.056    170.285   34.349    103.474   24.704    34.336  3.7985  26.830  3.5228  7.506304       5.180615 
1 1 1 -7  -6  44 o 40.982  2.4465  231.137   25.837    285.361   43.305    201.166   32.195    44.401  3.6743  37.564  3.2313  6.836983       4.893079 
1 1 1 -7  -6  45 o 36.635  2.6840  197.781   24.442    194.965   41.587    199.268   30.211    35.862  4.4233  37.408  3.0415  -1.546646      5.368053 
1 1 1 -7  -6  46 o 34.339  2.8188  171.090   24.058    193.377   42.140    160.312   29.303    35.437  4.5444  33.240  3.3363  2.196472       5.637581 
1 1 1 -7  -6  47 o 14.706  3.6819  32.500    16.662    40.220    32.245    29.688    19.462    15.634  5.7945  13.778  4.5441  1.856094       7.363779 
1 1 1 -7  -6  48 o 9.5886  3.0835  -6.5458   14.628    11.647    29.888    -12.2769  16.775    11.872  5.1310  7.3056  3.4212  4.565934       6.167004 
1 1 1 -7  -5  1  o 497.422 9.0924  33299.50  1211.40   33505.53  1713.55   33093.64  1712.81   498.967 12.821  495.877 12.896  3.090485       18.18484 
1 1 1 -7  -5  2  o 250.263 4.6814  8398.88   313.803   8367.35   443.567   8430.48   444.002   249.792 6.6297  250.734 6.6112  -0.9414215     9.362739 
1 1 1 -7  -5  3  o 287.526 5.3443  11091.04  411.567   11195.66  581.724   10986.19  582.365   288.887 7.5180  286.166 7.5978  2.720490       10.68862 
1 1 1 -7  -5  4  o 465.546 8.5263  29153.52  1063.13   28760.02  1502.79   29547.76  1504.19   462.388 12.134  468.704 11.982  -6.315399      17.05260 
1 1 1 -7  -5  5  o 283.951 5.3168  10818.38  404.261   11111.53  571.691   10525.18  571.732   287.806 7.4160  280.097 7.6207  7.709503       10.63358 
1 1 1 -7  -5  6  o 170.650 3.3501  3902.86   153.117   3957.80   216.594   3847.98   216.487   171.852 4.7055  169.449 4.7698  2.402664       6.700210 
1 1 1 -7  -5  7  o 382.737 7.1034  19677.34  728.173   19465.57  1030.11   19888.85  1029.47   380.672 10.103  384.802 9.9882  -4.129669      14.20678 
1 1 1 -7  -5  8  o 656.036 12.028  58127.89  2113.41   57503.64  2989.25   58751.78  2988.37   652.484 17.104  659.588 16.915  -7.104736      24.05565 
1 1 1 -7  -5  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -5  10 o 604.894 15.828  49704.02  2564.32   50141.18  3628.11   49267.63  3624.90   607.586 22.294  602.202 22.473  5.383972       31.65527 
1 1 1 -7  -5  11 o 195.014 3.8149  5097.90   199.243   5007.03   281.952   5188.55   281.593   193.276 5.4464  196.751 5.3434  -3.475388      7.629852 
1 1 1 -7  -5  12 o 598.896 11.025  48374.13  1768.39   47529.47  2500.14   49219.79  2501.62   593.628 15.724  604.163 15.459  -10.53473      22.05038 
1 1 1 -7  -5  13 o 65.918  1.9422  582.097   34.278    561.422   48.307    603.064   48.647    64.739  2.7859  67.097  2.7068  -2.358383      3.884330 
1 1 1 -7  -5  14 o 712.388 13.118  68708.46  2503.01   69237.70  3539.62   68179.12  3539.96   715.162 18.478  709.614 18.625  5.548523       26.23598 
1 1 1 -7  -5  15 o 338.489 6.3162  15390.36  572.414   14860.52  808.435   15923.05  810.601   332.630 9.0739  344.347 8.7886  -11.71689      12.63234 
1 1 1 -7  -5  16 o 269.016 5.0929  9712.33   366.970   9669.79   518.308   9755.10   519.644   268.424 7.2090  269.607 7.1959  -1.182556      10.18584 
1 1 1 -7  -5  17 o 125.555 2.7366  2113.65   91.991    2174.26   129.642   2052.20   130.552   127.370 3.8000  123.740 3.9390  3.630119       5.473187 
1 1 1 -7  -5  18 o 105.567 2.4438  1493.59   69.096    1487.87   97.184    1499.44   98.258    105.362 3.4437  105.771 3.4683  -0.4082336     4.887508 
1 1 1 -7  -5  19 o 418.710 7.8002  23724.26  874.451   22924.72  1235.34   24527.21  1237.98   411.570 11.206  425.850 10.853  -14.27960      15.60047 
1 1 1 -7  -5  20 o 129.656 2.8131  2255.72   97.669    2299.83   137.589   2210.92   138.667   130.937 3.9231  128.376 4.0328  2.561737       5.626174 
1 1 1 -7  -5  21 o 21.597  2.2096  63.881    12.160    48.587    16.688    81.193    17.755    18.738  3.4524  24.456  2.7587  -5.717911      4.419216 
1 1 1 -7  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -5  23 f 19.986  2.1047  55.957    10.648    47.496    16.131    62.489    14.174    18.528  3.3749  21.443  2.5156  -2.915369      4.209306 
1 1 1 -7  -5  24 o 50.342  1.8423  338.046   24.579    403.536   36.290    282.545   33.408    54.863  2.4696  45.820  2.7346  9.042618       3.684638 
1 1 1 -7  -5  25 o 76.958  2.0994  791.390   43.144    884.115   63.026    709.624   59.184    81.186  2.8983  72.729  3.0382  8.457146       4.198887 
1 1 1 -7  -5  26 f 49.582  2.0067  331.724   26.394    321.382   39.055    340.418   35.808    48.852  2.9992  50.311  2.6668  -1.459141      4.013333 
1 1 1 -7  -5  27 o 193.778 3.8248  5058.52   198.313   5374.40   283.027   4753.86   277.957   199.745 5.2901  187.811 5.5254  11.93439       7.649548 
1 1 1 -7  -5  28 o 180.853 3.5963  4404.72   174.145   4572.99   248.912   4243.38   243.727   184.243 5.0439  177.462 5.1275  6.781448       7.192522 
1 1 1 -7  -5  29 o 173.767 3.4939  4068.90   162.354   4393.63   232.575   3760.25   226.743   180.557 4.8091  166.977 5.0698  13.57912       6.987825 
1 1 1 -7  -5  30 o 157.495 3.3242  3350.51   140.076   3245.90   200.747   3449.77   195.550   155.063 4.8334  159.927 4.5651  -4.863968      6.648407 
1 1 1 -7  -5  31 o 164.951 6.9628  3720.34   307.627   0.0000    0.0000    3720.34   307.627   ?       ?       164.951 6.9628  ?              ?        
1 1 1 -7  -5  32 o 31.478  2.1533  132.571   17.710    147.333   27.774    122.455   22.991    32.924  3.1894  30.032  2.8940  2.892130       4.306685 
1 1 1 -7  -5  33 o 26.603  2.2777  94.028    15.639    113.520   25.007    81.508    20.042    28.819  3.2991  24.387  3.1412  4.431713       4.555332 
1 1 1 -7  -5  34 o 60.951  2.0738  496.213   33.658    551.506   51.083    453.793   44.743    63.912  2.9841  57.990  2.8806  5.921551       4.147605 
1 1 1 -7  -5  35 f 99.569  2.5188  1348.16   66.941    1332.43   98.530    1361.65   91.229    98.966  3.7170  100.173 3.4001  -1.206635      5.037568 
1 1 1 -7  -5  36 o 85.586  2.3470  993.888   53.563    1015.75   79.967    976.098   72.135    86.384  3.4561  84.787  3.1763  1.596664       4.694024 
1 1 1 -7  -5  37 o 52.486  2.1118  370.250   29.256    409.583   45.507    342.540   38.196    54.798  3.1133  50.173  2.8540  4.625393       4.223512 
1 1 1 -7  -5  38 o 31.474  2.4147  139.154   19.303    127.780   30.814    146.500   24.764    30.239  3.8950  32.709  2.8552  -2.469847      4.829389 
1 1 1 -7  -5  39 o 64.610  2.3254  578.813   39.390    540.590   60.621    606.743   51.820    62.529  3.6352  66.691  2.9010  -4.161587      4.650851 
1 1 1 -7  -5  40 o 25.131  2.9566  96.420    17.747    72.506    29.612    109.823   22.169    22.107  5.1042  28.154  2.9854  -6.046543      5.913112 
1 1 1 -7  -5  41 o 20.531  3.1762  65.720    16.274    50.255    28.145    73.488    19.947    18.276  5.3848  22.786  3.3701  -4.509377      6.352463 
1 1 1 -7  -5  42 o 18.331  3.2765  54.726    16.320    32.565    28.260    65.816    19.991    15.300  5.4601  21.361  3.6235  -6.061739      6.553063 
1 1 1 -7  -5  43 o 17.393  3.3106  48.662    15.574    35.567    27.954    54.556    18.754    15.539  5.4414  19.248  3.7726  -3.708868      6.621240 
1 1 1 -7  -5  44 o 8.5686  2.7733  -7.3582   12.955    -11.9276  24.734    -5.6310   15.207    9.4086  4.3172  7.7286  3.4825  1.680037       5.546666 
1 1 1 -7  -5  45 o 18.141  3.5366  53.587    17.324    47.926    30.291    56.339    21.119    17.121  5.6702  19.160  4.2285  -2.039076      7.073274 
1 1 1 -7  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -5  47 o 10.987  3.1742  -14.7518  14.367    44.107    30.147    -32.0474  16.342    16.107  5.6502  5.8682  2.8944  10.23851       6.348400 
1 1 1 -7  -5  48 o 10.127  3.1932  -1.0532   15.092    16.045    30.544    -6.5757   17.359    12.297  5.2487  7.9566  3.6383  4.340775       6.386368 
1 1 1 -7  -4  1  o 186.419 3.5971  4658.46   179.569   4776.94   254.119   4540.30   253.778   188.789 5.0254  184.050 5.1479  4.739136       7.194142 
1 1 1 -7  -4  2  o 300.762 5.5717  12137.84  448.852   12124.46  634.432   12151.24  635.113   300.596 7.8797  300.928 7.8795  -0.3317871     11.14347 
1 1 1 -7  -4  3  o 218.949 4.1557  6427.01   243.708   6365.17   344.183   6489.20   345.130   217.892 5.8974  220.006 5.8568  -2.114243      8.311495 
1 1 1 -7  -4  4  o 461.785 8.5042  28688.38  1051.78   29115.18  1487.47   28261.61  1487.41   465.236 11.937  458.335 12.116  6.900879       17.00832 
1 1 1 -7  -4  5  o 262.588 4.8956  9248.12   344.325   9205.76   486.895   9290.49   487.004   261.986 6.9386  263.190 6.9083  -1.204620      9.791259 
1 1 1 -7  -4  6  o 298.669 5.5801  11970.07  446.361   11811.06  631.720   12128.61  630.781   296.684 7.9495  300.654 7.8329  -3.970306      11.16016 
1 1 1 -7  -4  7  o 394.277 7.2872  20886.59  769.561   20781.70  1089.21   20991.14  1087.44   393.284 10.340  395.270 10.271  -1.985291      14.57434 
1 1 1 -7  -4  8  o 295.509 5.5383  11717.29  438.333   11579.01  620.759   11854.79  619.039   293.766 7.8892  297.252 7.7751  -3.485687      11.07661 
1 1 1 -7  -4  9  o 441.543 8.1663  26214.14  965.683   26699.99  1366.52   25729.47  1364.85   445.645 11.448  437.441 11.649  8.204071       16.33255 
1 1 1 -7  -4  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -4  11 o 183.173 3.6168  4496.91   177.448   4518.88   250.716   4474.86   251.183   183.622 5.0976  182.725 5.1322  0.8974304      7.233629 
1 1 1 -7  -4  12 f 384.223 7.1181  19828.26  732.528   19631.22  1035.30   20025.80  1036.61   382.307 10.110  386.140 10.023  -3.832672      14.23624 
1 1 1 -7  -4  13 o 346.332 6.4484  16102.89  598.165   15933.95  845.228   16272.40  846.640   344.509 9.1598  348.156 9.0790  -3.647003      12.89686 
1 1 1 -7  -4  14 o 193.012 3.7905  4993.62   195.941   4905.24   276.533   5082.73   277.676   191.296 5.3970  194.728 5.3238  -3.432556      7.580908 
1 1 1 -7  -4  15 o 242.187 4.6292  7866.78   300.278   7758.96   424.072   7975.20   425.244   240.521 6.5826  243.854 6.5106  -3.332565      9.258413 
1 1 1 -7  -4  16 o 349.304 6.5178  16399.30  609.493   15772.29  860.936   17029.28  862.973   342.588 9.3823  356.020 9.0497  -13.43231      13.03551 
1 1 1 -7  -4  17 o 43.860  1.8186  258.508   21.266    254.574   29.689    262.654   30.476    43.517  2.5584  44.203  2.5853  -0.6858597     3.637181 
1 1 1 -7  -4  18 o 137.917 2.9317  2550.45   108.285   2581.41   152.558   2519.02   153.725   138.762 4.1047  137.072 4.1870  1.689957       5.863403 
1 1 1 -7  -4  19 o 364.917 6.7938  17968.68  664.041   18048.20  940.217   17889.54  937.980   365.726 9.5981  364.109 9.6177  1.616669       13.58764 
1 1 1 -7  -4  20 o 154.425 3.1798  3200.16   131.518   3229.32   187.219   3171.75   184.795   155.119 4.5061  153.731 4.4879  1.387817       6.359669 
1 1 1 -7  -4  21 o 153.869 3.1444  3178.57   129.443   3386.27   184.603   2977.68   181.553   158.823 4.3395  148.916 4.5517  9.907410       6.288808 
1 1 1 -7  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -4  23 o 106.741 2.4706  1528.77   70.605    1534.01   101.407   1523.83   98.365    106.916 3.5411  106.566 3.4461  0.3496094      4.941146 
1 1 1 -7  -4  24 o 165.649 3.4147  3694.19   151.327   3529.51   215.660   3853.92   212.396   161.988 4.9705  169.310 4.6836  -7.321960      6.829449 
1 1 1 -7  -4  25 o 242.898 4.7130  7968.44   306.583   7875.94   435.495   8059.32   431.678   241.479 6.7331  244.316 6.5966  -2.836472      9.426003 
1 1 1 -7  -4  26 o 24.071  2.5395  78.898    15.746    84.019    24.113    75.090    20.791    24.735  3.7579  23.408  3.4168  1.326820       5.079003 
1 1 1 -7  -4  27 o 156.310 3.2660  3287.87   136.676   3243.39   195.495   3330.39   191.156   155.264 4.7008  157.357 4.5354  -2.093536      6.532034 
1 1 1 -7  -4  28 o 150.521 3.2158  3055.41   129.375   2881.28   185.182   3221.43   180.823   146.294 4.7259  154.748 4.3625  -8.454437      6.431622 
1 1 1 -7  -4  29 o 73.727  2.1451  727.734   42.272    761.097   62.283    699.241   57.559    75.286  3.0887  72.168  2.9777  3.117355       4.290275 
1 1 1 -7  -4  30 o 66.661  2.1891  606.267   38.445    522.473   56.512    678.459   52.454    62.241  3.4027  71.081  2.7551  -8.839512      4.378240 
1 1 1 -7  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -4  32 o 129.353 2.8740  2259.01   99.499    2341.33   144.207   2184.21   137.462   131.591 4.0914  127.115 4.0373  4.476059       5.747999 
1 1 1 -7  -4  33 o 112.130 2.5971  1692.65   77.713    1911.21   113.912   1502.35   106.290   118.898 3.5769  105.362 3.7663  13.53620       5.194179 
1 1 1 -7  -4  34 o 82.785  2.3430  931.966   51.581    883.104   76.461    972.773   69.876    80.724  3.5363  84.845  3.0747  -4.121246      4.686096 
1 1 1 -7  -4  35 o 76.681  2.3224  804.031   47.208    741.705   70.285    855.258   63.720    73.870  3.5523  79.493  2.9927  -5.623283      4.644866 
1 1 1 -7  -4  36 o 19.451  2.6708  50.514    13.140    69.000    21.589    39.637    16.560    22.188  3.7674  16.715  3.7866  5.473583       5.341502 
1 1 1 -7  -4  37 f 9.9655  2.7836  7.3569    10.384    11.067    18.309    5.5975    12.609    11.080  4.3041  8.8512  3.5309  2.228492       5.567119 
1 1 1 -7  -4  38 o 62.755  2.2101  535.305   36.667    555.599   56.610    520.637   48.127    63.657  3.3317  61.854  2.9049  1.802998       4.420284 
1 1 1 -7  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -4  40 o 11.645  2.8357  2.5952    11.688    40.144    22.004    -12.1641  13.796    16.565  4.7268  6.7261  3.1341  9.838788       5.671474 
1 1 1 -7  -4  41 o 43.657  2.4428  269.079   27.159    259.453   44.656    274.729   34.215    42.737  3.9457  44.577  2.8810  -1.840542      4.885526 
1 1 1 -7  -4  42 o 17.724  3.2036  51.939    15.787    26.258    27.657    64.352    19.227    14.309  5.3539  21.140  3.5195  -6.830726      6.407106 
1 1 1 -7  -4  43 o 30.599  2.9961  146.329   21.590    114.074   36.408    163.822   26.813    27.084  5.2079  34.115  2.9638  -7.030918      5.992153 
1 1 1 -7  -4  44 o 16.988  3.4367  47.226    16.462    34.273    29.109    53.318    19.961    15.208  5.5267  18.769  4.0866  -3.560713      6.873485 
1 1 1 -7  -4  45 o 46.334  2.6799  318.895   31.134    300.437   52.061    329.171   38.846    44.548  4.4215  48.120  3.0294  -3.571793      5.359751 
1 1 1 -7  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -4  47 o 13.841  3.5833  22.174    16.046    51.883    31.204    11.494    18.709    17.134  5.7569  10.548  4.2682  6.586081       7.166516 
1 1 1 -7  -3  1  o 162.564 3.2167  3543.03   139.973   3689.10   197.980   3397.04   197.923   165.918 4.4549  159.210 4.6413  6.707397       6.433310 
1 1 1 -7  -3  2  o 328.496 6.0707  14485.98  534.133   14554.03  754.974   14417.78  755.784   329.271 8.5603  327.721 8.6100  1.549438       12.14131 
1 1 1 -7  -3  3  o 155.419 3.0743  3237.22   127.936   3132.60   180.482   3342.89   181.378   152.893 4.4071  157.944 4.2874  -5.050995      6.148540 
1 1 1 -7  -3  4  o 348.540 6.4780  16312.83  604.755   16378.68  855.223   16246.97  855.282   349.246 9.1424  347.835 9.1801  1.410889       12.95598 
1 1 1 -7  -3  5  o 346.702 6.3961  16142.26  593.791   16623.58  840.776   15663.28  838.723   351.872 8.9209  341.533 9.1685  10.33871       12.79230 
1 1 1 -7  -3  6  o 90.671  2.1168  1102.38   51.359    1067.68   73.488    1135.51   71.806    89.274  3.0733  92.068  2.9118  -2.793625      4.233644 
1 1 1 -7  -3  7  o 89.486  2.1053  1072.47   50.455    1091.51   72.000    1054.09   70.726    90.266  2.9780  88.705  2.9767  1.560699       4.210617 
1 1 1 -7  -3  8  o 378.729 7.0449  19267.87  714.649   19274.21  1010.85   19261.52  1010.49   378.792 9.9631  378.667 9.9629  0.1247559      14.08981 
1 1 1 -7  -3  9  o 198.573 3.8576  5285.53   205.175   5289.01   289.969   5282.04   290.353   198.639 5.4500  198.508 5.4608  0.1312408      7.715158 
1 1 1 -7  -3  10 o 599.135 11.011  48417.15  1767.00   48624.64  2498.61   48209.56  2499.21   600.429 15.536  597.841 15.607  2.587585       22.02192 
1 1 1 -7  -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -3  12 o 355.900 6.6105  17007.40  630.047   16617.70  890.307   17398.36  891.737   351.806 9.4482  359.994 9.2481  -8.187836      13.22101 
1 1 1 -7  -3  13 o 548.120 10.098  40474.03  1482.45   40509.89  2096.09   40438.14  2096.92   548.365 14.271  547.875 14.289  0.4899902      20.19510 
1 1 1 -7  -3  14 o 109.171 2.4922  1597.26   72.778    1493.27   102.333   1703.68   103.525   105.573 3.6189  112.768 3.4275  -7.195152      4.984351 
1 1 1 -7  -3  15 o 653.236 12.030  57707.98  2104.48   56318.05  2974.53   59101.00  2977.83   645.287 17.210  661.185 16.815  -15.89844      24.06056 
1 1 1 -7  -3  16 o 237.657 4.5648  7577.60   290.453   7308.22   409.949   7849.13   411.581   233.409 6.5573  241.904 6.3522  -8.495926      9.129516 
1 1 1 -7  -3  17 o 279.329 5.3866  10500.26  401.753   9550.91   568.378   11448.18  567.951   266.649 7.9581  292.008 7.2615  -25.35916      10.77314 
1 1 1 -7  -3  18 o 178.336 3.5587  4266.91   169.956   4197.84   241.396   4334.81   239.325   176.901 5.0946  179.771 4.9703  -2.869827      7.117478 
1 1 1 -7  -3  19 o 195.379 3.8577  5125.74   201.849   5049.77   286.626   5200.47   284.302   193.938 5.5178  196.821 5.3929  -2.883575      7.715500 
1 1 1 -7  -3  20 o 86.759  2.1739  1008.05   50.490    1052.47   72.665    966.580   70.205    88.605  3.0618  84.912  3.0868  3.693283       4.347748 
1 1 1 -7  -3  21 o 81.720  2.1529  897.566   47.009    851.251   67.678    940.742   65.345    79.674  3.1713  83.766  2.9124  -4.091866      4.305762 
1 1 1 -7  -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -3  23 o 180.891 3.6018  4400.11   174.394   4622.83   248.585   4184.26   244.720   185.411 5.0056  176.371 5.1803  9.039932       7.203537 
1 1 1 -7  -3  24 o 184.486 3.6800  4579.04   181.819   4687.82   259.137   4473.56   255.172   186.647 5.1835  182.325 5.2251  4.322235       7.360041 
1 1 1 -7  -3  25 o 120.407 2.6663  1946.05   85.505    2233.97   123.307   1679.36   118.672   128.999 3.5687  111.815 3.9624  17.18420       5.332567 
1 1 1 -7  -3  26 o 190.332 3.8071  4881.42   193.996   4776.24   276.534   4983.35   272.221   188.292 5.4831  192.372 5.2831  -4.079666      7.614197 
1 1 1 -7  -3  27 o 143.283 3.0639  2762.37   117.479   2702.60   168.610   2818.76   163.777   141.761 4.4405  144.804 4.2226  -3.043365      6.127718 
1 1 1 -7  -3  28 o 36.205  2.1639  182.146   20.150    147.810   30.317    209.313   26.967    32.991  3.4835  39.419  2.5682  -6.427670      4.327862 
1 1 1 -7  -3  29 o 97.978  2.3869  1283.99   62.360    1468.12   91.327    1123.15   85.355    104.539 3.2616  91.416  3.4859  13.12312       4.773842 
1 1 1 -7  -3  30 o 161.256 3.3946  3512.49   146.545   3503.04   210.461   3521.39   204.174   161.023 4.8797  161.489 4.7203  -0.4663849     6.789164 
1 1 1 -7  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -3  32 o 62.856  2.0960  529.337   35.082    554.992   53.032    509.373   46.781    64.190  3.0845  61.522  2.8389  2.667786       4.192029 
1 1 1 -7  -3  33 o 74.235  2.1859  738.707   43.284    796.476   64.929    692.499   58.069    76.818  3.1556  71.651  3.0257  5.167068       4.371807 
1 1 1 -7  -3  34 o 28.962  2.3275  116.813   17.157    106.570   27.091    123.673   22.170    27.777  3.7361  30.147  2.7767  -2.370506      4.654921 
1 1 1 -7  -3  35 o 67.484  2.2349  623.025   39.806    583.097   60.088    654.253   53.140    65.422  3.4412  69.546  2.8527  -4.124741      4.469839 
1 1 1 -7  -3  36 o 45.474  2.1767  285.778   25.707    262.400   40.031    302.184   33.535    43.761  3.4430  47.186  2.6642  -3.424931      4.353467 
1 1 1 -7  -3  37 f 17.276  2.9938  41.604    13.380    47.729    22.120    38.069    16.803    18.217  4.5476  16.336  3.8950  1.880577       5.987619 
1 1 1 -7  -3  38 o 12.080  2.9043  18.490    12.351    -1.9051   21.449    28.607    15.107    9.9865  4.3315  14.174  3.8703  -4.187772      5.808671 
1 1 1 -7  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -3  40 o 24.617  2.8893  85.407    17.453    92.137    30.261    82.053    21.364    25.100  4.6732  24.134  3.3990  0.9655666      5.778557 
1 1 1 -7  -3  41 f 16.493  3.2468  33.889    15.052    65.236    26.130    18.323    18.413    20.865  4.7784  12.121  4.3971  8.743576       6.493618 
1 1 1 -7  -3  42 o 25.043  2.9170  85.929    18.125    115.509   31.598    71.425    22.127    27.975  4.3590  22.111  3.8774  5.864075       5.833996 
1 1 1 -7  -3  43 o 22.319  3.0406  67.642    16.744    103.323   29.824    51.220    20.233    26.227  4.4015  18.411  4.1962  7.815172       6.081229 
1 1 1 -7  -3  44 o 26.360  3.2206  106.902   20.344    103.767   35.867    108.389   24.702    25.383  5.4391  27.337  3.4504  -1.953617      6.441232 
1 1 1 -7  -3  45 o 18.894  3.4700  60.630    17.610    43.234    31.517    68.526    21.234    16.400  5.7754  21.387  3.8483  -4.986349      6.940090 
1 1 1 -7  -3  46 o 22.777  3.6210  98.198    21.541    50.081    38.979    119.353   25.846    17.075  6.3625  28.479  3.4593  -11.40411      7.242081 
1 1 1 -7  -3  47 o 9.9968  3.0683  4.7710    14.716    -13.9636  29.531    10.960    16.973    9.8297  4.5821  10.164  4.0819  -0.3342342     6.136575 
1 1 1 -7  -2  1  o 336.415 6.2983  15197.16  567.453   14904.68  802.006   15490.35  802.992   333.165 8.9873  339.664 8.8262  -6.498535      12.59654 
1 1 1 -7  -2  2  o 196.643 3.7762  5183.42   198.892   5169.59   280.769   5197.35   281.784   196.380 5.3378  196.906 5.3428  -0.5263977     7.552338 
1 1 1 -7  -2  3  o 395.024 7.2911  20971.46  771.393   21259.02  1091.01   20684.01  1090.82   397.741 10.241  392.307 10.381  5.434296       14.58220 
1 1 1 -7  -2  4  o 89.826  2.0487  1080.92   49.282    1079.77   70.362    1082.02   69.046    89.779  2.9260  89.873  2.8683  -0.9425354E-01 4.097366 
1 1 1 -7  -2  5  f 183.697 3.5821  4523.43   176.229   4479.33   250.307   4566.77   248.157   182.808 5.1120  184.586 5.0192  -1.778488      7.164173 
1 1 1 -7  -2  6  o 246.210 4.6877  8129.80   309.140   8149.64   437.567   8110.04   436.814   246.510 6.6271  245.910 6.6318  0.5998688      9.375434 
1 1 1 -7  -2  7  o 184.138 3.6251  4545.43   178.752   4657.78   252.759   4433.02   252.829   186.417 5.0621  181.859 5.1904  4.557114       7.250198 
1 1 1 -7  -2  8  o 574.313 10.568  44482.64  1625.42   45320.75  2298.93   43644.87  2298.45   579.760 14.804  568.867 15.085  10.89368       21.13560 
1 1 1 -7  -2  9  o 220.182 4.2596  6499.77   251.210   6470.93   354.894   6528.72   355.635   219.692 6.0311  220.671 6.0169  -0.9793854     8.519196 
1 1 1 -7  -2  10 o 723.144 13.293  70775.70  2574.36   69186.52  3639.16   72367.57  3642.24   714.936 19.004  731.352 18.593  -16.41663      26.58678 
1 1 1 -7  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -2  12 o 84.655  2.1378  959.909   48.472    948.829   68.136    971.263   68.971    84.160  3.0226  85.149  3.0241  -0.9891052     4.275675 
1 1 1 -7  -2  13 o 136.070 2.8846  2481.08   105.072   2371.86   147.958   2592.20   149.240   133.047 4.1519  139.092 4.0058  -6.045181      5.769276 
1 1 1 -7  -2  14 o 416.643 7.7624  23340.22  865.900   22576.17  1224.85   24103.57  1224.29   409.799 11.159  423.487 10.793  -13.68741      15.52472 
1 1 1 -7  -2  15 o 240.838 4.5683  7779.24   294.621   8004.88   417.838   7556.12   415.488   244.315 6.3851  237.361 6.5352  6.954666       9.136661 
1 1 1 -7  -2  16 o 135.324 2.9568  2466.42   106.490   2159.54   151.311   2767.61   149.899   126.936 4.4504  143.712 3.8942  -16.77686      5.913580 
1 1 1 -7  -2  17 o 137.200 2.9011  2523.33   106.591   2503.71   151.819   2542.41   149.689   136.672 4.1472  137.727 4.0577  -1.054886      5.802107 
1 1 1 -7  -2  18 o 114.653 2.5621  1761.57   78.671    1784.38   112.433   1739.69   110.118   115.380 3.6381  113.926 3.6087  1.453423       5.124291 
1 1 1 -7  -2  19 o 144.503 3.0267  2801.29   117.123   2776.15   166.862   2825.70   164.439   143.861 4.3304  145.145 4.2297  -1.283478      6.053317 
1 1 1 -7  -2  20 o 32.026  1.7997  137.658   15.220    159.438   22.322    118.734   20.807    34.406  2.4379  29.646  2.6481  4.760078       3.599453 
1 1 1 -7  -2  21 o 242.255 4.6417  7904.19   301.180   7928.48   427.555   7880.27   424.329   242.622 6.5792  241.889 6.5493  0.7325745      9.283305 
1 1 1 -7  -2  22 o 177.985 4.4051  4321.31   198.269   4438.22   245.007   4099.48   337.491   181.697 5.0343  174.273 7.2301  7.423325       8.810119 
1 1 1 -7  -2  23 o 316.355 5.9904  13563.81  507.468   13966.84  719.897   13165.74  715.460   321.071 8.3711  311.640 8.5712  9.430725       11.98085 
1 1 1 -7  -2  24 o 77.139  2.1338  799.096   44.003    782.450   63.858    814.147   60.721    76.369  3.1218  77.910  2.9097  -1.540482      4.267607 
1 1 1 -7  -2  25 o 64.550  2.0216  555.025   34.778    640.000   51.396    483.257   47.234    69.078  2.7778  60.021  2.9380  9.057365       4.043284 
1 1 1 -7  -2  26 o 110.299 2.5463  1630.39   75.129    1752.00   108.689   1519.13   103.964   114.234 3.5522  106.364 3.6492  7.869537       5.092660 
1 1 1 -7  -2  27 o 123.604 2.7311  2050.30   90.366    2132.65   130.415   1974.24   125.331   125.988 3.8646  121.219 3.8601  4.768799       5.462227 
1 1 1 -7  -2  28 o 46.463  2.0201  285.990   24.244    397.752   36.771    200.040   32.246    54.454  2.5211  38.472  3.1571  15.98246       4.040212 
1 1 1 -7  -2  29 o 80.484  2.2115  867.196   47.585    918.758   69.970    822.826   64.906    82.700  3.1588  78.268  3.0961  4.431847       4.423074 
1 1 1 -7  -2  30 o 15.938  2.7500  36.691    13.160    8.3157    19.675    59.660    17.702    11.064  4.4116  20.812  3.2845  -9.747828      5.500006 
1 1 1 -7  -2  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -2  32 o 61.799  2.0918  511.509   34.458    542.463   51.862    487.044   46.106    63.452  3.0515  60.146  2.8620  3.306820       4.183609 
1 1 1 -7  -2  33 o 42.213  2.0862  231.544   22.525    342.072   35.708    158.495   29.029    50.321  2.6587  34.106  3.2157  16.21472       4.172442 
1 1 1 -7  -2  34 o 28.322  2.6046  119.825   17.565    76.910    27.198    150.532   23.007    23.337  4.5144  33.308  2.5994  -9.970337      5.209284 
1 1 1 -7  -2  35 o 29.307  2.3547  120.848   17.467    105.890   27.510    130.951   22.609    27.613  3.8220  31.000  2.7515  -3.387156      4.709363 
1 1 1 -7  -2  36 o 20.976  2.7276  58.457    14.305    77.376    24.252    48.362    17.716    23.451  4.0048  18.501  3.7042  4.950392       5.455216 
1 1 1 -7  -2  37 o 59.148  2.2740  482.707   35.202    450.356   54.398    506.015   46.174    57.253  3.5650  61.044  2.8240  -3.791183      4.548011 
1 1 1 -7  -2  38 f 36.685  2.5204  197.443   22.687    147.110   36.085    230.344   29.175    32.284  4.2784  41.086  2.6655  -8.802120      5.040746 
1 1 1 -7  -2  39 o 13.141  3.1244  20.552    12.532    32.807    21.799    14.503    15.316    15.219  4.7918  11.063  4.0107  4.155736       6.248716 
1 1 1 -7  -2  40 o 21.603  3.0922  67.243    16.559    71.316    28.330    65.129    20.408    21.875  4.9506  21.331  3.7064  0.5434093      6.184342 
1 1 1 -7  -2  41 o 44.376  2.4254  278.516   27.594    270.191   44.808    283.601   35.023    43.541  3.8828  45.211  2.9076  -1.669979      4.850792 
1 1 1 -7  -2  42 o 25.016  3.1003  92.317    18.919    95.698    32.847    90.639    23.143    24.939  5.0896  25.093  3.5418  -0.1541176     6.200664 
1 1 1 -7  -2  43 o 9.8868  2.6434  4.0587    12.645    -48.5468  24.399    23.379    14.786    7.1382  3.5237  12.635  3.9413  -5.497302      5.286798 
1 1 1 -7  -2  44 o 24.423  3.3648  93.038    19.700    91.235    35.458    93.843    23.694    23.530  5.6888  25.315  3.5953  -1.785183      6.729686 
1 1 1 -7  -2  45 o 29.666  6.4211  152.537   49.542    0.0000    0.0000    152.537   49.542    ?       ?       29.666  6.4211  ?              ?        
1 1 1 -7  -2  46 f 10.693  3.2323  5.5160    14.432    15.534    28.844    2.1708    16.668    12.455  5.1959  8.9319  3.8462  3.522679       6.464540 
1 1 1 -7  -2  47 o 8.0487  2.7431  -18.9229  14.017    -16.3695  29.530    -19.6655  15.925    9.6053  4.5111  6.4921  3.1221  3.113190       5.486181 
1 1 1 -7  -1  1  f 352.835 6.5002  16720.46  614.285   16540.49  867.995   16901.03  869.468   350.928 9.2344  354.741 9.1507  -3.813263      13.00036 
1 1 1 -7  -1  2  o 353.196 6.4759  16754.18  612.640   16683.60  866.135   16824.85  866.673   352.450 9.1749  353.942 9.1418  -1.492523      12.95188 
1 1 1 -7  -1  3  o 296.243 5.4920  11776.94  435.769   11900.67  617.405   11654.11  615.142   297.796 7.7404  294.691 7.7933  3.105133       10.98402 
1 1 1 -7  -1  4  o 249.449 4.7395  8348.08   316.564   8116.69   448.338   8578.14   447.044   245.995 6.8044  252.902 6.5995  -6.907486      9.479071 
1 1 1 -7  -1  5  o 337.520 6.2895  15296.00  568.586   15204.02  804.057   15388.00  804.148   336.502 8.9209  338.537 8.8683  -2.034943      12.57894 
1 1 1 -7  -1  6  o 446.451 8.2506  26813.20  986.458   26245.39  1394.24   27382.34  1395.88   441.698 11.785  451.203 11.550  -9.505432      16.50118 
1 1 1 -7  -1  7  o 151.614 3.1137  3080.38   126.440   3038.69   178.503   3122.37   179.123   150.584 4.4257  152.644 4.3811  -2.060181      6.227408 
1 1 1 -7  -1  8  o 153.184 3.1243  3144.60   128.173   3075.54   180.899   3214.22   181.632   151.494 4.4581  154.874 4.3785  -3.379608      6.248665 
1 1 1 -7  -1  9  o 609.848 11.217  50191.68  1832.19   50245.35  2590.74   50137.97  2591.49   610.177 15.852  609.519 15.874  0.6586914      22.43321 
1 1 1 -7  -1  10 o 427.638 7.9110  24582.53  906.140   24690.10  1282.21   24475.21  1280.74   428.575 11.170  426.700 11.206  1.874207       15.82205 
1 1 1 -7  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -1  12 o 216.171 4.2312  6274.98   244.430   5795.48   346.106   6752.11   345.249   207.910 6.2151  224.432 5.7433  -16.52229      8.462387 
1 1 1 -7  -1  13 o 222.939 4.3185  6666.54   257.733   6428.58   365.181   6902.71   363.801   218.969 6.2264  226.910 5.9858  -7.941010      8.636992 
1 1 1 -7  -1  14 o 260.444 5.0631  9124.06   351.733   8169.67   497.574   10077.33  497.278   246.770 7.5279  274.117 6.7729  -27.34651      10.12629 
1 1 1 -7  -1  15 o 475.678 8.8396  30470.72  1125.96   29678.39  1592.73   31262.28  1591.95   469.461 12.666  481.894 12.334  -12.43277      17.67924 
1 1 1 -7  -1  16 o 457.564 8.4702  28201.31  1038.08   28089.85  1469.08   28312.47  1467.05   456.654 12.011  458.474 11.947  -1.820190      16.94042 
1 1 1 -7  -1  17 o 167.501 3.3613  3764.01   150.488   4080.09   214.287   3456.44   211.387   174.450 4.5860  160.552 4.9156  13.89799       6.722696 
1 1 1 -7  -1  18 f 175.592 3.5539  4143.19   166.821   3867.53   236.913   4414.27   234.940   169.779 5.2098  181.406 4.8352  -11.62721      7.107806 
1 1 1 -7  -1  19 o 57.885  1.8833  448.789   28.785    548.243   42.012    360.785   39.519    63.964  2.4521  51.805  2.8591  12.15921       3.766637 
1 1 1 -7  -1  20 o 370.326 6.9133  18568.68  685.713   18431.07  971.211   18705.46  968.285   368.937 9.8282  371.716 9.7253  -2.778534      13.82659 
1 1 1 -7  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -1  22 o 229.042 4.4311  7067.61   271.804   7232.13   386.425   6906.51   382.386   231.688 6.2269  226.395 6.3059  5.293152       8.862188 
1 1 1 -7  -1  23 o 93.762  2.4306  1195.36   60.152    985.245   86.557    1391.62   83.654    85.668  3.7722  101.856 3.0663  -16.18768      4.861235 
1 1 1 -7  -1  24 o 62.414  1.9951  521.924   33.283    530.499   48.851    514.494   45.469    62.890  2.9000  61.939  2.7407  0.9508553      3.990197 
1 1 1 -7  -1  25 o 145.045 3.1285  2834.87   121.246   2657.77   173.583   3003.59   169.428   140.588 4.6097  149.502 4.2310  -8.914398      6.257075 
1 1 1 -7  -1  26 o 150.275 3.1519  3034.17   126.815   3150.02   182.085   2925.04   176.722   153.061 4.4414  147.490 4.4734  5.571503       6.303766 
1 1 1 -7  -1  27 o 57.426  2.0038  438.296   30.438    535.812   45.480    359.178   40.965    63.201  2.6866  51.651  2.9736  11.55011       4.007507 
1 1 1 -7  -1  28 o 109.036 2.6059  1597.94   75.999    1597.64   110.430   1598.21   104.752   109.016 3.7819  109.056 3.5861  -0.3991699E-01 5.211779 
1 1 1 -7  -1  29 o 148.813 3.2014  2988.85   127.451   2913.01   183.316   3059.80   177.319   146.954 4.6572  150.671 4.3938  -3.716385      6.402744 
1 1 1 -7  -1  30 o 65.585  4.4292  583.412   77.352    0.0000    0.0000    583.412   77.352    ?       ?       65.585  4.4292  ?              ?        
1 1 1 -7  -1  31 f 91.639  2.3617  1126.44   57.835    1209.81   85.382    1055.77   78.617    94.754  3.3642  88.524  3.3156  6.229630       4.723464 
1 1 1 -7  -1  32 o 100.808 2.5081  1370.79   67.581    1406.63   99.320    1339.89   92.223    102.011 3.6350  99.605  3.4567  2.405540       5.016168 
1 1 1 -7  -1  33 o 51.852  2.0654  358.353   28.334    411.394   43.578    319.507   37.294    55.127  2.9622  48.577  2.8791  6.549091       4.130787 
1 1 1 -7  -1  34 o 65.688  2.1969  585.265   38.270    582.154   57.798    587.695   51.068    65.444  3.3079  65.931  2.8918  -0.4867935     4.393754 
1 1 1 -7  -1  35 o 34.051  2.2866  161.490   19.957    146.526   31.423    171.605   25.836    32.588  3.6635  35.514  2.7372  -2.925716      4.573101 
1 1 1 -7  -1  36 o 55.438  2.2561  424.280   32.677    389.506   50.422    449.460   42.906    53.293  3.5526  57.583  2.7818  -4.289883      4.512189 
1 1 1 -7  -1  37 o 33.425  2.4293  158.552   20.455    137.620   32.728    171.971   26.204    31.372  3.9848  35.478  2.7797  -4.106226      4.858537 
1 1 1 -7  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -1  39 o 41.240  2.4168  240.336   25.445    220.127   40.870    253.127   32.515    39.562  3.9079  42.918  2.8446  -3.355854      4.833563 
1 1 1 -7  -1  40 o 18.398  3.2120  45.420    15.223    69.246    26.628    33.852    18.554    21.584  4.7359  15.212  4.3404  6.372551       6.424016 
1 1 1 -7  -1  41 o 36.092  2.5488  181.735   23.324    197.501   39.454    173.265   28.919    37.017  4.0452  35.168  3.1018  1.848831       5.097506 
1 1 1 -7  -1  42 o 13.558  3.1439  27.408    14.612    1.1565    26.540    38.828    17.504    11.026  4.8003  16.091  4.0611  -5.064764      6.287720 
1 1 1 -7  -1  43 o 10.114  3.0506  4.8598    13.527    -0.6584   25.850    6.9407    15.874    10.638  4.6813  9.5912  3.9127  1.046454       6.101176 
1 1 1 -7  -1  44 o 20.470  3.4951  61.808    17.556    79.967    33.011    54.646    20.730    22.037  5.5854  18.903  4.2030  3.133413       6.990162 
1 1 1 -7  -1  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  -1  46 o 13.932  3.7182  25.496    17.245    43.556    33.174    18.809    20.187    15.993  5.8866  11.872  4.5438  4.120583       7.436319 
1 1 1 -7  0   1  o 465.876 8.5751  29219.84  1069.79   29951.69  1513.23   28488.61  1512.59   471.738 11.976  460.014 12.276  11.72394       17.15026 
1 1 1 -7  0   2  o 232.937 4.4212  7276.16   275.832   7377.48   391.422   7176.20   388.762   234.549 6.2305  231.325 6.2744  3.223907       8.842357 
1 1 1 -7  0   3  o 335.792 6.2767  15141.51  564.534   15164.76  798.756   15118.32  797.990   336.050 8.8740  335.534 8.8791  0.5154419      12.55340 
1 1 1 -7  0   4  o 391.945 7.2737  20647.26  763.587   20787.60  1079.63   20506.80  1080.12   393.283 10.249  390.607 10.324  2.675415       14.54731 
1 1 1 -7  0   5  o 197.978 3.8617  5254.47   204.762   5167.68   289.210   5341.70   289.946   196.337 5.4995  199.618 5.4228  -3.281174      7.723436 
1 1 1 -7  0   6  o 52.062  1.7011  362.977   23.691    388.486   33.860    338.511   33.160    53.854  2.3473  50.271  2.4627  3.583519       3.402186 
1 1 1 -7  0   7  f 409.987 7.5958  22598.02  833.916   22024.47  1179.51   23171.23  1179.16   404.765 10.879  415.208 10.603  -10.44315      15.19150 
1 1 1 -7  0   8  o 308.715 5.7535  12795.92  475.336   13443.95  673.407   12152.42  671.052   316.523 7.9430  300.906 8.3260  15.61700       11.50708 
1 1 1 -7  0   9  o 231.555 4.4312  7189.54   274.791   7348.01   389.426   7032.40   387.805   234.099 6.2106  229.011 6.3222  5.087524       8.862402 
1 1 1 -7  0   10 o 691.202 12.690  64604.82  2348.87   66246.28  3323.81   62967.32  3319.80   700.053 17.726  682.350 18.164  17.70300       25.38023 
1 1 1 -7  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  0   12 o 404.108 7.5140  21943.66  813.190   21514.11  1150.56   22372.41  1149.49   400.143 10.735  408.074 10.517  -7.930847      15.02803 
1 1 1 -7  0   13 o 415.307 7.6563  23181.25  851.507   23754.80  1205.63   22610.40  1202.80   420.449 10.706  410.165 10.948  10.28439       15.31258 
1 1 1 -7  0   14 o 370.489 6.8352  18441.22  677.960   19145.26  960.407   17741.93  957.162   377.558 9.4969  363.420 9.8330  14.13782       13.67041 
1 1 1 -7  0   15 o 389.004 7.2650  20347.52  756.701   19743.13  1070.84   20950.33  1069.44   383.210 10.433  394.798 10.113  -11.58801      14.52997 
1 1 1 -7  0   16 o 310.602 5.9370  12975.19  493.055   12103.86  697.821   13843.84  696.750   300.144 8.6801  321.060 8.1022  -20.91599      11.87390 
1 1 1 -7  0   17 o 210.529 4.1469  5954.24   233.508   5613.35   331.261   6290.91   329.210   204.519 6.0471  216.538 5.6761  -12.01811      8.293704 
1 1 1 -7  0   18 o 236.740 4.5479  7529.03   288.380   7575.85   409.341   7482.90   406.339   237.470 6.4356  236.010 6.4279  1.460403       9.095845 
1 1 1 -7  0   19 o 343.348 6.3850  15924.49  586.467   16899.86  831.833   14960.49  826.969   353.884 8.7758  332.812 9.2769  21.07196       12.77006 
1 1 1 -7  0   20 o 89.167  2.2888  1071.63   54.379    970.591   78.206    1166.21   75.665    85.070  3.4322  93.264  3.0289  -8.194519      4.577604 
1 1 1 -7  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  0   22 o 153.354 3.2497  3168.18   133.122   2938.18   189.939   3390.25   186.631   147.847 4.7964  158.862 4.3861  -11.01495      6.499441 
1 1 1 -7  0   23 o 33.572  2.0111  157.767   17.198    118.014   25.500    190.933   23.292    29.475  3.2858  37.669  2.3197  -8.193787      4.022189 
1 1 1 -7  0   24 o 162.727 3.3844  3566.39   147.302   3401.02   210.401   3725.36   206.294   158.999 4.9404  166.454 4.6270  -7.455093      6.768841 
1 1 1 -7  0   25 o 64.035  2.0833  547.765   35.648    584.328   52.676    516.872   48.419    65.997  2.9799  62.073  2.9122  3.923836       4.166593 
1 1 1 -7  0   26 o 189.937 3.7536  4857.23   190.870   5076.20   273.031   4647.92   266.934   194.134 5.2508  185.741 5.3655  8.393234       7.507250 
1 1 1 -7  0   27 o 74.124  2.2502  748.246   43.991    642.620   64.351    840.908   60.273    69.084  3.4890  79.165  2.8425  -10.08085      4.500331 
1 1 1 -7  0   28 o 98.564  2.4046  1299.54   63.277    1456.71   92.669    1162.24   86.611    104.130 3.3225  92.997  3.4771  11.13258       4.809293 
1 1 1 -7  0   29 o 140.676 3.0481  2666.69   114.783   2710.31   165.746   2626.49   159.113   141.769 4.3649  139.583 4.2558  2.185684       6.096263 
1 1 1 -7  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  0   31 o 72.781  2.1922  713.217   42.522    716.231   63.440    710.759   57.298    72.900  3.2490  72.662  2.9440  0.2381973      4.384396 
1 1 1 -7  0   32 f 76.606  2.2516  791.586   45.976    797.578   68.581    786.695   61.961    76.840  3.3321  76.371  3.0290  0.4691467      4.503110 
1 1 1 -7  0   33 o 29.384  2.3726  121.539   17.578    104.978   27.777    132.600   22.701    27.536  3.8732  31.232  2.7414  -3.696440      4.745197 
1 1 1 -7  0   34 o 39.370  2.2088  214.562   22.438    195.898   35.239    227.291   29.101    37.805  3.5205  40.935  2.6687  -3.129139      4.417662 
1 1 1 -7  0   35 o 20.175  2.8768  63.476    14.525    36.965    23.556    79.739    18.449    16.265  4.9580  24.085  2.9195  -7.820240      5.753685 
1 1 1 -7  0   36 o 27.204  2.4875  98.554    17.300    123.925   28.351    83.502    21.837    29.895  3.6140  24.512  3.4191  5.383072       4.975057 
1 1 1 -7  0   37 o 26.497  2.7191  101.602   17.586    88.389    29.214    109.112   22.023    24.840  4.5588  28.154  2.9650  -3.313522      5.438167 
1 1 1 -7  0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  0   39 o 23.144  2.9015  76.337    16.693    80.020    27.940    74.293    20.816    23.375  4.6262  22.912  3.5032  0.4634838      5.802965 
1 1 1 -7  0   40 o 10.963  2.8153  -6.9741   12.475    37.954    22.499    -26.9171  14.990    16.023  4.8369  5.9023  2.8825  10.12077       5.630606 
1 1 1 -7  0   41 f 19.840  3.2899  55.463    16.377    74.616    28.994    46.489    19.846    22.056  5.0206  17.625  4.2528  4.430834       6.579741 
1 1 1 -7  0   42 o 23.284  3.3997  85.839    19.146    75.722    34.234    90.444    23.095    21.577  5.7989  24.991  3.5501  -3.413538      6.799300 
1 1 1 -7  0   43 o 39.107  2.7316  223.463   26.806    224.806   45.256    222.738   33.269    38.661  4.4516  39.553  3.1669  -0.8916054     5.463144 
1 1 1 -7  0   44 o 9.1060  2.8465  -5.0980   14.601    -42.4447  28.079    8.7427    17.094    8.1546  3.9741  10.057  4.0762  -1.902739      5.692902 
1 1 1 -7  0   45 o 19.278  3.8286  57.011    19.127    79.670    35.756    47.927    22.639    21.315  6.0057  17.241  4.7503  4.073856       7.657286 
1 1 1 -7  0   46 o 17.716  3.7278  40.147    18.160    96.356    36.181    21.219    20.996    23.191  5.8308  12.242  4.6463  10.94866       7.455631 
1 1 1 -7  1   1  o 279.544 7.5657  10486.70  566.482   0.0000    0.0000    10486.70  566.482   ?       ?       279.544 7.5657  ?              ?        
1 1 1 -7  1   2  o 340.058 7.6262  15415.42  657.705   15966.60  1138.52   15139.35  805.755   344.366 12.343  335.749 8.9598  8.617859       15.25234 
1 1 1 -7  1   3  o 110.623 2.5180  1652.14   73.782    1371.35   104.449   1931.80   104.238   101.166 3.8546  120.081 3.2409  -18.91473      5.035994 
1 1 1 -7  1   4  o 226.607 4.3236  6885.81   262.424   6930.96   371.556   6840.86   370.693   227.349 6.1016  225.866 6.1274  1.483780       8.647201 
1 1 1 -7  1   5  o 500.183 9.2318  33702.08  1236.31   32588.25  1748.04   34816.85  1748.79   491.866 13.268  508.500 12.840  -16.63345      18.46369 
1 1 1 -7  1   6  o 422.397 7.8313  23997.11  885.606   23154.38  1252.33   24840.13  1252.55   414.947 11.268  429.847 10.879  -14.89963      15.66253 
1 1 1 -7  1   7  o 84.807  2.0939  964.187   47.527    931.831   67.691    995.646   66.747    83.402  3.0302  86.211  2.8905  -2.809654      4.187714 
1 1 1 -7  1   8  o 501.415 9.2746  33858.70  1245.19   32863.38  1760.92   34854.12  1761.02   494.004 13.308  508.826 12.921  -14.82254      18.54910 
1 1 1 -7  1   9  o 520.885 9.5828  36540.66  1336.88   36019.49  1889.99   37062.54  1891.28   517.148 13.644  524.622 13.459  -7.474060      19.16566 
1 1 1 -7  1   10 o 597.680 13.630  48793.20  2047.54   47100.99  3542.14   49642.39  2509.24   588.665 22.465  606.696 15.441  -18.03058      27.26007 
1 1 1 -7  1   11 f 391.894 8.6621  20256.56  864.650   19416.27  1058.84   21938.39  1497.99   380.168 10.398  403.619 13.856  -23.45071      17.32410 
1 1 1 -7  1   12 o 193.507 3.7905  5019.01   196.459   5041.73   277.566   4996.20   278.105   193.946 5.3431  193.067 5.3779  0.8786469      7.580953 
1 1 1 -7  1   13 o 335.156 6.2277  15078.83  559.063   15025.97  790.297   15131.77  790.973   334.567 8.8190  335.745 8.7956  -1.177795      12.45537 
1 1 1 -7  1   14 o 123.962 2.6988  2059.06   89.604    2077.02   126.469   2040.95   126.970   124.505 3.7923  123.419 3.8409  1.086693       5.397605 
1 1 1 -7  1   15 o 452.349 8.3195  27549.40  1007.91   27111.51  1424.75   27988.09  1426.04   448.732 11.854  455.965 11.676  -7.232697      16.63899 
1 1 1 -7  1   16 o 214.258 4.1545  6158.07   238.419   6149.05   336.870   6167.12   337.482   214.101 5.8743  214.415 5.8763  -0.3141327     8.308930 
1 1 1 -7  1   17 o 39.992  1.7148  215.768   18.210    235.003   25.585    196.020   25.923    41.820  2.2928  38.165  2.5506  3.655186       3.429691 
1 1 1 -7  1   18 o 96.019  2.2686  1235.90   58.341    1245.52   82.256    1226.16   82.761    96.396  3.1858  95.643  3.2306  0.7531433      4.537201 
1 1 1 -7  1   19 o 126.098 2.7258  2132.89   92.064    2121.28   129.905   2144.59   130.495   125.753 3.8567  126.442 3.8531  -0.6891556     5.451679 
1 1 1 -7  1   20 o 208.436 3.9743  5842.79   221.861   5749.52   313.426   5936.45   314.094   206.763 5.6594  210.109 5.5812  -3.346420      7.948514 
1 1 1 -7  1   21 o 101.417 2.8400  1374.76   73.341    1361.51   90.411    1400.26   125.418   100.743 3.3506  102.091 4.5865  -1.348419      5.679985 
1 1 1 -7  1   22 o 272.743 5.1937  10052.67  379.366   10247.93  536.422   9857.28   536.586   275.417 7.2715  270.069 7.4178  5.348206       10.38744 
1 1 1 -7  1   23 o 257.838 4.9662  8981.96   342.974   8945.38   484.773   9018.62   485.305   257.309 7.0339  258.367 7.0127  -1.058075      9.932464 
1 1 1 -7  1   24 o 139.571 2.9718  2617.52   111.093   2585.29   156.827   2649.98   157.392   138.707 4.2212  140.436 4.1842  -1.728638      5.943593 
1 1 1 -7  1   25 o 239.650 4.6517  7760.52   298.384   8096.79   422.118   7424.70   421.839   244.885 6.4355  234.416 6.7185  10.46902       9.303428 
1 1 1 -7  1   26 o 194.288 4.7820  5105.62   233.508   5104.94   407.770   5105.95   284.834   193.947 7.8495  194.629 5.4638  -0.6819916     9.563904 
1 1 1 -7  1   27 o 134.303 2.9707  2431.61   106.621   2320.03   153.671   2535.17   148.057   131.302 4.3695  137.305 4.0258  -6.002792      5.941369 
1 1 1 -7  1   28 o 87.066  2.3208  1016.53   53.997    1048.61   79.577    989.151   73.510    88.329  3.3635  85.803  3.1986  2.526169       4.641572 
1 1 1 -7  1   29 o 61.534  2.1031  505.088   34.492    546.610   52.028    472.528   46.072    63.768  3.0461  59.299  2.9006  4.468201       4.206234 
1 1 1 -7  1   30 o 76.428  2.2396  783.654   45.716    820.310   67.793    753.082   61.911    78.052  3.2427  74.804  3.0900  3.248184       4.479213 
1 1 1 -7  1   31 o 85.581  2.3621  990.100   53.856    968.500   79.924    1008.07   72.889    84.689  3.5234  86.473  3.1470  -1.784554      4.724173 
1 1 1 -7  1   32 o 84.596  2.3310  965.023   52.613    994.031   78.392    941.246   70.972    85.721  3.4142  83.471  3.1744  2.250496       4.661962 
1 1 1 -7  1   33 o 56.337  2.1184  428.268   31.573    445.911   48.323    415.126   41.707    57.308  3.1603  55.366  2.8217  1.942074       4.236722 
1 1 1 -7  1   34 o 74.298  2.2923  750.406   45.230    741.620   68.334    757.255   60.338    73.842  3.4550  74.754  3.0135  -0.9116058     4.584536 
1 1 1 -7  1   35 o 12.752  2.8963  18.941    11.099    32.626    18.823    11.647    13.742    15.209  4.3818  10.295  3.7888  4.914114       5.792695 
1 1 1 -7  1   36 o 27.266  2.6320  106.522   17.682    93.848    29.055    113.977   22.284    25.718  4.3745  28.814  2.9281  -3.095497      5.264074 
1 1 1 -7  1   37 o 34.013  2.5618  164.490   21.784    147.774   35.736    174.374   27.481    32.371  4.2221  35.655  2.9027  -3.284088      5.123696 
1 1 1 -7  1   38 o 25.260  2.8501  91.557    17.843    88.457    29.547    93.337    22.386    24.676  4.6407  25.843  3.3101  -1.167006      5.700222 
1 1 1 -7  1   39 o 21.069  3.2968  69.420    17.421    52.697    30.067    77.871    21.375    18.707  5.5790  23.432  3.5141  -4.724880      6.593519 
1 1 1 -7  1   40 o 33.277  2.6115  155.209   22.081    167.331   36.796    148.387   27.603    34.050  4.1182  32.504  3.2126  1.545513       5.223098 
1 1 1 -7  1   41 o 20.561  3.1370  51.232    16.958    116.349   30.863    23.074    20.296    28.087  4.2340  13.034  4.6298  15.05270       6.273912 
1 1 1 -7  1   42 o 29.401  2.8941  121.963   21.023    147.052   37.209    110.199   25.479    31.201  4.5895  27.601  3.5271  3.599777       5.788261 
1 1 1 -7  1   43 o 10.466  3.1563  3.4796    14.129    12.951    26.758    -0.1817   16.637    12.192  5.0385  8.7409  3.8030  3.451105       6.312607 
1 1 1 -7  1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  1   45 o 19.799  3.7148  57.013    18.677    94.540    35.481    42.628    21.967    23.409  5.7099  16.190  4.7536  7.218967       7.429604 
1 1 1 -7  2   1  o 333.444 8.7528  14930.78  781.739   0.0000    0.0000    14930.78  781.739   ?       ?       333.444 8.7528  ?              ?        
1 1 1 -7  2   2  o 132.609 2.7646  2357.10   98.164    2416.85   138.391   2296.59   139.262   134.302 3.8471  130.916 3.9715  3.386063       5.529291 
1 1 1 -7  2   3  o 298.197 5.5611  11934.21  444.151   11773.79  627.520   12095.26  628.731   296.185 7.9100  300.208 7.8190  -4.023560      11.12228 
1 1 1 -7  2   4  f 318.211 5.9574  13593.31  507.751   13460.52  717.547   13726.49  718.589   316.652 8.4602  319.771 8.3898  -3.119354      11.91485 
1 1 1 -7  2   5  o 357.706 6.6315  17185.60  635.374   17195.60  898.175   17175.58  898.935   357.811 9.3717  357.601 9.3851  0.2098083      13.26309 
1 1 1 -7  2   6  o 193.067 3.7461  4996.88   193.682   4875.40   273.472   5119.14   274.346   190.710 5.3537  195.423 5.2412  -4.712723      7.492144 
1 1 1 -7  2   7  o 452.952 8.3442  27597.95  1012.33   27723.20  1431.39   27472.60  1431.90   453.985 11.771  451.919 11.829  2.066254       16.68834 
1 1 1 -7  2   8  o 482.208 8.8670  31295.21  1145.03   30574.70  1618.43   32017.31  1620.22   476.624 12.677  487.791 12.401  -11.16669      17.73400 
1 1 1 -7  2   9  o 451.357 8.3354  27399.13  1007.60   27866.12  1424.98   26932.16  1424.93   455.220 11.687  447.494 11.888  7.725281       16.67074 
1 1 1 -7  2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  2   11 o 242.413 4.6222  7881.31   300.026   8104.08   424.153   7658.24   424.450   245.846 6.4412  238.979 6.6310  6.866592       9.244426 
1 1 1 -7  2   12 o 356.629 6.7519  17078.75  644.953   17007.12  911.705   17150.49  912.496   355.879 9.5645  357.379 9.5326  -1.500092      13.50376 
1 1 1 -7  2   13 o 145.931 3.0848  2853.68   120.576   2834.80   170.188   2872.71   170.855   145.446 4.3686  146.415 4.3566  -0.9695129     6.169652 
1 1 1 -7  2   14 o 270.274 5.1923  9801.67   375.877   9873.84   531.323   9729.37   531.817   271.272 7.3125  269.276 7.3735  1.996185       10.38468 
1 1 1 -7  2   15 o 430.019 7.8118  24892.52  899.753   24807.58  1272.04   24977.56  1272.85   429.281 11.063  430.756 11.032  -1.474396      15.62351 
1 1 1 -7  2   16 o 154.033 3.0779  3181.57   126.952   3262.97   179.314   3099.76   179.761   156.012 4.2911  152.055 4.4137  3.956345       6.155843 
1 1 1 -7  2   17 o 232.822 4.4321  7280.49   276.386   7222.56   390.487   7338.64   391.252   231.891 6.2868  233.752 6.2490  -1.860184      8.864246 
1 1 1 -7  2   18 o 191.192 3.8084  4909.96   194.995   5009.23   275.531   4810.36   275.999   193.134 5.3263  189.249 5.4448  3.884201       7.616779 
1 1 1 -7  2   19 o 72.318  2.0146  701.357   39.008    719.109   54.929    683.295   55.405    73.243  2.8000  71.393  2.8974  1.849518       4.029230 
1 1 1 -7  2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  2   21 o 221.508 4.3835  6611.11   260.072   6650.66   367.531   6571.45   368.063   222.176 6.1760  220.839 6.2224  1.337036       8.767045 
1 1 1 -7  2   22 o 259.567 5.0078  9101.16   348.156   9018.36   491.992   9184.21   492.744   258.376 7.1091  260.758 7.0550  -2.381989      10.01562 
1 1 1 -7  2   23 o 187.401 3.8150  4728.80   191.476   4800.77   270.552   4656.58   271.024   188.838 5.3490  185.964 5.4411  2.874390       7.630063 
1 1 1 -7  2   24 o 142.385 3.0415  2724.66   115.996   2707.73   163.702   2741.73   164.386   141.940 4.3059  142.830 4.2969  -0.8894501     6.083079 
1 1 1 -7  2   25 o 142.071 2.9546  2712.77   112.431   2703.89   158.752   2721.71   159.253   141.838 4.1787  142.304 4.1781  -0.4665375     5.909147 
1 1 1 -7  2   26 o 154.829 3.1917  3226.00   132.343   3287.81   186.977   3163.94   187.345   156.323 4.4656  153.335 4.5615  2.988586       6.383482 
1 1 1 -7  2   27 o 121.767 2.7213  1993.92   88.742    1949.57   125.148   2038.78   125.856   120.401 3.8806  123.134 3.8160  -2.732567      5.442546 
1 1 1 -7  2   28 o 16.994  2.5875  41.307    11.590    56.258    16.209    25.668    16.578    20.232  3.0891  13.756  4.1518  6.476220       5.174934 
1 1 1 -7  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  2   30 o 42.960  1.8951  249.751   21.641    265.225   30.276    233.584   30.946    44.344  2.5599  41.576  2.7952  2.768188       3.790250 
1 1 1 -7  2   31 o 44.111  1.8850  262.916   22.129    243.270   30.994    283.342   31.604    42.412  2.7431  45.809  2.5863  -3.396358      3.770051 
1 1 1 -7  2   32 o 42.134  2.4286  231.543   25.121    269.551   46.592    215.965   29.829    44.359  3.9631  39.909  2.8084  4.450497       4.857271 
1 1 1 -7  2   33 o 92.100  2.5331  1161.43   61.913    1079.86   91.990    1228.97   83.711    89.012  3.8584  95.187  3.2833  -6.175270      5.066275 
1 1 1 -7  2   34 o 51.827  2.1778  365.616   29.634    366.215   46.083    365.193   38.697    51.789  3.3399  51.865  2.7959  -0.7577133E-01 4.355669 
1 1 1 -7  2   35 o 11.257  2.8960  14.135    10.930    16.424    18.356    12.878    13.604    11.998  4.3844  10.515  3.7846  1.482482       5.791923 
1 1 1 -7  2   36 o 54.397  2.2648  402.741   32.322    419.872   50.874    391.146   41.855    55.265  3.4541  53.529  2.9303  1.735950       4.529636 
1 1 1 -7  2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  2   38 o 25.421  2.6960  87.618    17.183    108.312   29.281    76.749    21.221    27.536  4.0946  23.305  3.5083  4.231525       5.392019 
1 1 1 -7  2   39 o 42.841  2.4116  250.466   26.747    286.623   44.022    229.307   33.676    45.090  3.6771  40.592  3.1212  4.497646       4.823156 
1 1 1 -7  2   40 o 49.905  2.4756  354.687   31.716    341.678   51.394    362.689   40.307    48.784  3.9676  51.026  2.9619  -2.242161      4.951248 
1 1 1 -7  2   41 f 21.984  3.3723  75.354    17.959    70.029    32.884    77.617    21.439    20.839  5.7185  23.130  3.5759  -2.290939      6.744510 
1 1 1 -7  2   42 f 15.815  3.4608  39.648    15.986    30.456    28.715    43.776    19.244    14.694  5.4637  16.936  4.2492  -2.242448      6.921561 
1 1 1 -7  2   43 f 23.723  3.4981  89.242    20.177    86.186    36.008    90.642    24.361    22.695  5.8770  24.751  3.7959  -2.055626      6.996231 
1 1 1 -7  2   44 o 29.310  3.3337  131.951   23.632    141.962   41.805    127.250   28.649    29.356  5.5193  29.264  3.7405  0.9175110E-01  6.667425 
1 1 1 -7  2   45 o 18.385  3.6775  63.023    19.863    35.756    37.065    74.008    23.526    15.066  6.0387  21.704  4.1988  -6.637084      7.354980 
1 1 1 -7  3   1  o 247.599 4.7170  8223.18   312.814   8309.79   442.597   8136.73   442.174   248.904 6.6388  246.294 6.7027  2.609070       9.433967 
1 1 1 -7  3   2  o 576.734 10.608  44895.27  1638.43   45740.46  2317.70   44050.96  2316.50   582.201 14.863  571.266 15.139  10.93457       21.21540 
1 1 1 -7  3   3  o 257.028 4.8651  8861.63   334.931   8897.67   473.575   8825.56   473.754   257.551 6.8649  256.504 6.8956  1.047546       9.730167 
1 1 1 -7  3   4  o 331.264 6.1719  14733.38  547.618   14657.40  774.256   14809.44  774.642   330.407 8.7487  332.120 8.7080  -1.713135      12.34379 
1 1 1 -7  3   5  o 396.455 7.3320  21124.26  778.562   21322.54  1101.02   20925.96  1101.08   398.322 10.320  394.587 10.418  3.734711       14.66409 
1 1 1 -7  3   6  o 323.198 6.0198  14021.72  521.127   14028.62  736.762   14014.81  737.208   323.278 8.5087  323.118 8.5180  0.1599121      12.03970 
1 1 1 -7  3   7  o 549.674 10.090  40722.35  1485.42   41114.18  2100.75   40330.55  2100.67   552.335 14.200  547.013 14.337  5.322388       20.17908 
1 1 1 -7  3   8  o 271.279 5.1406  9872.09   373.498   10001.03  528.059   9743.00   528.352   273.055 7.2201  269.503 7.3193  3.551270       10.28117 
1 1 1 -7  3   9  o 333.413 8.7645  14962.81  781.794   14080.74  1102.13   15856.16  1109.15   323.477 12.720  343.348 12.061  -19.87097      17.52895 
1 1 1 -7  3   10 o 682.983 12.505  63039.85  2287.42   64069.91  3235.46   62010.50  3234.34   688.610 17.542  677.355 17.827  11.25537       25.01037 
1 1 1 -7  3   11 o 358.911 6.5988  17297.58  634.231   16873.13  896.336   17723.17  897.540   354.491 9.4401  363.332 9.2228  -8.841064      13.19755 
1 1 1 -7  3   12 o 238.454 4.5660  7624.77   291.628   7658.72   412.230   7590.76   412.619   238.986 6.4399  237.922 6.4748  1.064240       9.132076 
1 1 1 -7  3   13 o 167.979 3.3205  3781.90   149.391   3823.71   211.102   3739.95   211.441   168.910 4.6660  167.048 4.7256  1.861969       6.641047 
1 1 1 -7  3   14 o 163.148 3.2602  3567.70   142.458   3517.34   201.201   3618.32   201.733   161.993 4.6371  164.303 4.5840  -2.310532      6.520383 
1 1 1 -7  3   15 o 336.254 6.3406  15202.85  571.052   15338.72  807.454   15066.89  807.725   337.763 8.9252  334.744 9.0087  3.018494       12.68129 
1 1 1 -7  3   16 o 250.518 4.8092  8430.77   322.691   8497.05   456.153   8364.36   456.555   251.508 6.7713  249.529 6.8310  1.978195       9.618335 
1 1 1 -7  3   17 o 336.228 6.2403  15244.72  561.867   14862.44  794.017   15628.13  795.185   331.978 8.9296  340.477 8.7195  -8.498779      12.48066 
1 1 1 -7  3   18 o 161.166 3.3548  3488.60   144.745   3614.38   204.588   3362.56   204.814   164.083 4.6551  158.249 4.8320  5.833878       6.709561 
1 1 1 -7  3   19 o 129.952 2.8035  2266.52   97.576    2291.09   137.812   2241.82   138.176   130.660 3.9378  129.244 3.9915  1.416199       5.606987 
1 1 1 -7  3   20 o 199.508 3.9424  5356.13   210.654   5436.36   297.612   5275.57   298.208   201.013 5.5276  198.002 5.6229  3.010696       7.884881 
1 1 1 -7  3   21 o 343.630 6.5642  16040.55  604.164   15934.87  854.041   16146.40  854.792   342.484 9.3100  344.777 9.2562  -2.293884      13.12834 
1 1 1 -7  3   22 o 47.837  1.8831  308.281   23.989    326.934   33.761    289.260   34.093    49.313  2.5649  46.361  2.7579  2.951637       3.766294 
1 1 1 -7  3   23 o 140.250 3.0396  2643.39   114.174   2599.74   161.100   2687.43   161.837   139.084 4.3244  141.416 4.2726  -2.332199      6.079122 
1 1 1 -7  3   24 o 50.750  1.9039  346.478   25.781    351.152   36.207    341.671   36.717    51.102  2.6544  50.399  2.7301  0.7024612      3.807827 
1 1 1 -7  3   25 o 126.563 2.7241  2152.07   92.343    2133.80   130.311   2170.51   130.877   126.022 3.8605  127.103 3.8443  -1.081078      5.448148 
1 1 1 -7  3   26 o 80.263  2.1525  864.786   46.274    864.618   65.199    864.958   65.687    80.256  3.0330  80.270  3.0552  -0.1438904E-01 4.305031 
1 1 1 -7  3   27 o 110.812 2.5686  1651.58   76.227    1678.62   107.582   1624.32   108.021   111.728 3.5949  109.896 3.6697  1.831535       5.137171 
1 1 1 -7  3   28 f 130.581 2.8537  2298.57   99.808    2273.72   140.875   2323.62   141.426   129.870 4.0498  131.293 4.0216  -1.423538      5.707390 
1 1 1 -7  3   29 o 44.065  1.9349  262.334   22.695    274.408   31.905    249.965   32.291    45.106  2.6524  43.023  2.8177  2.083096       3.869736 
1 1 1 -7  3   30 o 18.314  2.3798  46.708    11.227    41.895    15.779    51.644    15.979    17.307  3.5236  19.320  3.1997  -2.013016      4.759607 
1 1 1 -7  3   31 o 46.726  1.9626  296.060   24.369    322.191   34.391    269.707   34.536    48.832  2.6391  44.621  2.9055  4.210697       3.925190 
1 1 1 -7  3   32 o 38.822  1.9641  204.929   20.239    219.068   28.487    190.516   28.761    40.205  2.6603  37.440  2.8903  2.765358       3.928300 
1 1 1 -7  3   33 o 78.574  2.1980  837.534   46.233    867.270   65.240    807.537   65.527    79.995  3.0448  77.152  3.1709  2.842514       4.396080 
1 1 1 -7  3   34 o 61.048  2.0606  506.539   33.595    531.087   47.310    481.571   47.715    62.603  2.8215  59.494  3.0040  3.108799       4.121223 
1 1 1 -7  3   35 o 53.279  1.9887  386.372   28.277    380.724   39.685    392.198   40.303    52.883  2.8118  53.675  2.8131  -0.7928352     3.977422 
1 1 1 -7  3   36 o 56.983  2.9924  444.165   45.513    0.0000    0.0000    444.165   45.513    ?       ?       56.983  2.9924  ?              ?        
1 1 1 -7  3   37 o 15.865  3.1439  32.723    13.950    53.550    23.156    20.860    17.477    19.130  4.5800  12.600  4.3080  6.529975       6.287706 
1 1 1 -7  3   38 o 33.452  2.9246  171.646   23.086    122.477   37.814    200.864   29.149    28.766  5.0942  38.139  2.8746  -9.372877      5.849258 
1 1 1 -7  3   39 o 26.398  2.8647  100.029   18.662    103.921   31.784    97.981    23.055    26.487  4.6498  26.309  3.3474  0.1776237      5.729375 
1 1 1 -7  3   40 o 33.421  2.8588  167.424   23.248    145.758   38.962    179.402   28.971    31.114  4.8318  35.727  3.0568  -4.612896      5.717561 
1 1 1 -7  3   41 o 19.210  3.4463  59.256    17.150    50.140    30.751    63.371    20.661    17.732  5.7030  20.687  3.8710  -2.955685      6.892667 
1 1 1 -7  3   42 o 45.306  2.6306  291.933   30.331    320.791   51.490    276.598   37.534    46.539  4.1751  44.073  3.2014  2.465881       5.261185 
1 1 1 -7  3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  3   44 o 32.190  3.0479  148.623   24.325    198.393   43.522    126.014   29.334    35.486  4.6942  28.895  3.8890  6.590620       6.095860 
1 1 1 -7  4   1  o 161.553 3.2562  3497.90   140.900   3485.99   199.395   3509.78   199.130   161.278 4.6158  161.828 4.5940  -0.5500183     6.512370 
1 1 1 -7  4   2  o 184.405 3.5798  4558.03   176.815   4566.02   250.180   4550.06   249.929   184.566 5.0607  184.243 5.0645  0.3229370      7.159589 
1 1 1 -7  4   3  o 419.277 7.7520  23639.34  870.430   24130.04  1231.35   23149.23  1230.60   423.644 10.852  414.911 11.073  8.732605       15.50392 
1 1 1 -7  4   4  o 286.652 5.3744  11026.21  412.585   11234.26  583.630   10818.38  583.338   289.360 7.5303  283.944 7.6701  5.416412       10.74871 
1 1 1 -7  4   5  o 233.081 4.4262  7284.81   276.325   7305.60   390.709   7264.00   390.856   233.414 6.2494  232.747 6.2697  0.6664581      8.852312 
1 1 1 -7  4   6  f 387.901 7.1472  20216.63  742.539   19944.19  1049.77   20489.42  1050.45   385.277 10.173  390.524 10.042  -5.246918      14.29445 
1 1 1 -7  4   7  o 189.782 3.7399  4827.88   190.093   4757.05   268.691   4898.86   268.974   188.387 5.3249  191.177 5.2527  -2.789520      7.479717 
1 1 1 -7  4   8  o 842.187 15.564  96378.45  3509.95   93625.48  4961.62   99136.28  4966.01   829.978 22.319  854.397 21.700  -24.41888      31.12896 
1 1 1 -7  4   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  4   10 o 566.731 10.439  43309.72  1583.30   41189.20  2237.29   45437.19  2240.96   552.741 15.112  580.720 14.407  -27.97864      20.87889 
1 1 1 -7  4   11 o 220.508 4.2806  6519.22   252.820   6567.30   357.377   6471.06   357.705   221.323 6.0285  219.693 6.0788  1.629807       8.561284 
1 1 1 -7  4   12 o 503.464 9.2646  34137.58  1249.34   33955.20  1766.44   34320.12  1767.23   502.111 13.134  504.816 13.070  -2.704803      18.52922 
1 1 1 -7  4   13 o 485.595 8.9559  31769.38  1164.84   31923.02  1647.19   31615.68  1647.48   486.777 12.634  484.413 12.697  2.363495       17.91175 
1 1 1 -7  4   14 o 67.789  1.9522  615.645   35.432    592.823   49.886    638.879   50.334    66.520  2.7999  69.057  2.7212  -2.536301      3.904408 
1 1 1 -7  4   15 o 401.731 7.4634  21759.85  803.045   21496.42  1135.19   22023.73  1136.16   399.282 10.615  404.181 10.495  -4.898193      14.92681 
1 1 1 -7  4   16 o 306.865 5.7951  12679.09  476.309   12756.83  673.406   12601.27  673.799   307.811 8.1678  305.918 8.2231  1.893524       11.59017 
1 1 1 -7  4   17 o 289.650 5.4730  11305.68  424.602   11264.03  600.186   11347.42  600.771   289.113 7.7505  290.186 7.7294  -1.073029      10.94592 
1 1 1 -7  4   18 o 145.410 3.0312  2838.26   118.059   2839.30   166.721   2837.20   167.201   145.437 4.2798  145.382 4.2938  0.5485535E-01  6.062451 
1 1 1 -7  4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  4   20 o 174.579 3.5207  4097.97   164.627   4097.74   232.574   4098.20   233.064   174.574 4.9738  174.583 4.9841  -0.8270264E-02 7.041308 
1 1 1 -7  4   21 o 82.632  2.1505  916.614   47.545    964.341   67.177    868.711   67.301    84.792  2.9578  80.471  3.1224  4.320984       4.300965 
1 1 1 -7  4   22 o 89.571  2.2479  1076.62   53.922    1094.30   76.074    1058.76   76.441    90.312  3.1449  88.830  3.2128  1.482124       4.495800 
1 1 1 -7  4   23 o 89.808  2.2421  1082.15   53.922    1053.31   75.882    1111.56   76.639    88.598  3.1976  91.018  3.1436  -2.419891      4.484113 
1 1 1 -7  4   24 o 111.706 2.5456  1675.61   76.166    1672.81   107.544   1678.42   107.886   111.613 3.5973  111.800 3.6028  -0.1866302     5.091264 
1 1 1 -7  4   25 o 134.433 2.9479  2430.22   106.145   2414.76   149.786   2445.81   150.439   134.003 4.1732  134.863 4.1646  -0.8598633     5.895725 
1 1 1 -7  4   26 o 78.223  2.1412  821.609   44.862    819.607   63.262    823.634   63.628    78.128  3.0231  78.318  3.0332  -0.1909714     4.282423 
1 1 1 -7  4   27 o 71.438  2.0665  685.532   39.538    679.483   55.560    691.739   56.278    71.119  2.9167  71.756  2.9281  -0.6376572     4.132905 
1 1 1 -7  4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  4   29 o 62.911  2.0046  532.628   33.776    534.213   47.480    531.005   48.059    63.009  2.8133  62.814  2.8565  0.1940727      4.009251 
1 1 1 -7  4   30 o 45.324  1.9098  277.345   23.052    259.754   32.084    296.118   33.144    43.827  2.7470  46.820  2.6538  -2.992699      3.819504 
1 1 1 -7  4   31 o 74.070  2.1513  742.152   42.634    776.982   60.040    706.726   60.551    75.843  2.9555  72.296  3.1269  3.546967       4.302656 
1 1 1 -7  4   32 o 81.767  2.2173  905.862   48.550    878.433   68.299    933.880   69.027    80.506  3.1674  83.028  3.1039  -2.521461      4.434674 
1 1 1 -7  4   33 o 36.135  1.9799  178.090   18.970    190.146   26.738    165.870   26.919    37.399  2.6871  34.871  2.9086  2.527950       3.959891 
1 1 1 -7  4   34 o 112.252 2.6516  1725.91   79.723    1738.86   112.675   1712.93   112.815   112.685 3.7331  111.819 3.7667  0.8657761      5.303234 
1 1 1 -7  4   35 o 26.089  2.2590  94.008    15.407    85.010    21.270    103.940   22.348    24.735  3.2922  27.444  3.0942  -2.708426      4.518095 
1 1 1 -7  4   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  4   37 o 31.693  2.1647  139.505   18.109    144.737   25.188    133.907   26.054    32.357  2.9383  31.030  3.1796  1.326714       4.329430 
1 1 1 -7  4   38 o 31.206  2.2145  136.172   18.234    139.134   25.353    132.998   26.245    31.601  3.0325  30.812  3.2280  0.7891293      4.429019 
1 1 1 -7  4   39 o 14.967  3.4321  22.484    14.614    58.617    29.852    11.094    16.760    19.388  5.4962  10.547  4.1122  8.841461       6.864279 
1 1 1 -7  4   40 o 42.211  2.6390  257.374   28.227    252.932   46.791    259.915   35.392    41.469  4.2739  42.953  3.0970  -1.484425      5.278020 
1 1 1 -7  4   41 o 16.778  3.5361  46.244    17.483    28.639    31.149    54.342    21.125    14.652  5.6357  18.904  4.2725  -4.252138      7.072120 
1 1 1 -7  4   42 o 10.732  3.0869  9.8395    14.165    -11.5014  27.336    17.674    16.563    9.9328  4.5506  11.532  4.1723  -1.599264      6.173805 
1 1 1 -7  4   43 o 39.582  2.8777  230.276   28.424    251.331   49.382    219.843   34.760    40.253  4.6667  38.910  3.3685  1.343388       5.755438 
1 1 1 -7  4   44 o 23.024  3.7102  94.122    21.032    77.971    39.088    100.703   24.951    20.261  6.4207  25.787  3.7200  -5.526497      7.420460 
1 1 1 -7  5   1  o 466.153 8.6129  29251.62  1075.11   28473.78  1519.99   30030.35  1520.87   459.920 12.339  472.386 12.020  -12.46533      17.22573 
1 1 1 -7  5   2  f 196.621 3.8318  5182.81   201.787   5119.67   285.474   5245.85   285.266   195.423 5.4538  197.819 5.3838  -2.396133      7.663555 
1 1 1 -7  5   3  o 243.994 4.6566  7984.94   304.274   8158.12   430.561   7812.17   430.056   246.640 6.5175  241.347 6.6526  5.293060       9.313193 
1 1 1 -7  5   4  o 472.310 8.6697  30019.93  1096.77   29857.45  1550.91   30182.48  1551.21   471.026 12.293  473.595 12.229  -2.568817      17.33935 
1 1 1 -7  5   5  o 387.116 7.1562  20134.42  742.014   20103.96  1049.34   20164.89  1049.39   386.822 10.128  387.410 10.113  -0.5875549     14.31239 
1 1 1 -7  5   6  o 377.274 6.9720  19119.48  704.503   18898.71  996.129   19340.41  996.508   375.089 9.9150  379.459 9.8045  -4.370575      13.94403 
1 1 1 -7  5   7  o 312.297 5.8584  13089.29  489.995   13308.43  693.046   12870.25  692.870   314.916 8.2163  309.678 8.3532  5.238098       11.71682 
1 1 1 -7  5   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  5   9  o 345.822 6.3929  16054.74  592.159   16128.07  837.359   15981.39  837.521   346.614 9.0194  345.030 9.0625  1.583618       12.78588 
1 1 1 -7  5   10 o 538.547 9.9754  39077.38  1438.84   38511.64  2034.24   39643.77  2035.41   534.623 14.206  542.470 14.008  -7.846619      19.95090 
1 1 1 -7  5   11 o 110.862 2.5199  1646.69   74.826    1655.27   105.747   1638.09   105.893   111.152 3.5519  110.573 3.5754  0.5786972      5.039827 
1 1 1 -7  5   12 o 204.684 3.9749  5617.92   217.877   5483.96   307.898   5752.28   308.351   202.237 5.6840  207.131 5.5579  -4.893814      7.949769 
1 1 1 -7  5   13 o 81.261  2.0659  884.738   44.962    894.823   63.490    874.591   63.682    81.726  2.9004  80.796  2.9426  0.9296494      4.131760 
1 1 1 -7  5   14 o 115.831 2.5642  1798.71   79.525    1853.95   112.377   1743.30   112.553   117.614 3.5672  114.048 3.6845  3.566589       5.128428 
1 1 1 -7  5   15 o 534.660 9.9185  38855.64  1420.40   38911.57  2008.58   38799.69  2008.92   535.052 14.015  534.269 14.038  0.7826538      19.83692 
1 1 1 -7  5   16 o 220.275 4.3181  6522.07   254.770   6542.53   360.075   6501.57   360.522   220.622 6.0933  219.927 6.1202  0.6951752      8.636279 
1 1 1 -7  5   17 o 87.440  2.1749  1025.25   50.930    1041.02   71.859    1009.33   72.195    88.117  3.0446  86.763  3.1066  1.353653       4.349790 
1 1 1 -7  5   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  5   19 o 181.091 3.6273  4410.05   175.933   4349.88   248.506   4470.51   249.109   179.848 5.1587  182.333 5.1008  -2.485260      7.254664 
1 1 1 -7  5   20 o 132.017 2.8391  2340.54   100.393   2347.16   141.757   2333.88   142.198   132.206 4.0032  131.829 4.0271  0.3766022      5.678299 
1 1 1 -7  5   21 o 117.015 2.5868  1838.20   81.076    1840.37   114.483   1836.01   114.836   117.085 3.6505  116.945 3.6661  0.1398163      5.173642 
1 1 1 -7  5   22 o 55.945  1.9679  420.294   29.430    408.336   41.453    432.447   41.790    55.105  2.8179  56.784  2.7476  -1.679546      3.935761 
1 1 1 -7  5   23 o 165.153 3.4286  3670.03   151.660   3623.42   214.201   3716.89   214.760   164.098 4.8734  166.209 4.8240  -2.110855      6.857192 
1 1 1 -7  5   24 o 161.124 3.2327  3493.19   139.507   3520.72   197.150   3465.58   197.436   161.764 4.5502  160.485 4.5931  1.278732       6.465310 
1 1 1 -7  5   25 o 171.932 3.4651  3984.38   159.568   4022.35   225.470   3946.27   225.858   172.759 4.8726  171.105 4.9282  1.653854       6.930288 
1 1 1 -7  5   26 o 169.278 3.4839  3869.02   157.960   3831.11   223.103   3907.11   223.677   168.442 4.9450  170.114 4.9090  -1.672714      6.967855 
1 1 1 -7  5   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  5   28 o 121.985 2.7358  2009.12   89.386    1996.82   126.133   2021.53   126.689   121.609 3.8724  122.361 3.8655  -0.7517014     5.471508 
1 1 1 -7  5   29 o 69.805  2.0613  656.410   38.534    639.990   54.173    673.226   54.824    68.919  2.9347  70.692  2.8954  -1.772575      4.122591 
1 1 1 -7  5   30 o 17.865  2.4487  44.677    11.287    45.568    15.695    43.722    16.243    18.071  3.3665  17.660  3.5569  0.4107380      4.897417 
1 1 1 -7  5   31 o 88.741  2.2964  1067.09   54.558    1026.37   76.829    1108.51   77.490    87.018  3.2963  90.464  3.1980  -3.446877      4.592702 
1 1 1 -7  5   32 o 54.735  1.9880  405.875   29.053    380.302   40.709    432.421   41.477    52.924  2.8826  56.545  2.7386  -3.620590      3.976098 
1 1 1 -7  5   33 o 8.8634  2.2859  0.8437    8.8605    -17.5827  12.500    19.453    12.562    5.8285  2.7933  11.898  3.6192  -6.069870      4.571776 
1 1 1 -7  5   34 o 50.905  1.9918  353.299   27.024    365.663   37.889    340.496   38.556    51.839  2.7385  49.972  2.8930  1.866692       3.983533 
1 1 1 -7  5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  5   36 o 65.138  2.1488  582.017   37.485    588.114   52.741    575.793   53.287    65.500  3.0062  64.777  3.0712  0.7223740      4.297637 
1 1 1 -7  5   37 o 30.741  2.2320  131.923   18.089    135.019   25.136    128.598   26.051    31.158  3.0510  30.323  3.2586  0.8349266      4.463998 
1 1 1 -7  5   38 o 27.807  2.3036  109.036   16.824    107.754   23.381    110.413   24.228    27.653  3.2168  27.962  3.2984  -0.3084812     4.607300 
1 1 1 -7  5   39 o 20.353  2.7649  61.889    14.438    77.154    20.311    46.296    20.528    23.200  3.3669  17.506  4.3867  5.693651       5.529842 
1 1 1 -7  5   40 o 7.3420  2.3530  -6.7362   9.9923    -9.2185   13.782    -3.9851   14.509    6.9353  3.1971  7.7488  3.4533  -0.8134184     4.705986 
1 1 1 -7  5   41 o 35.530  2.2896  181.760   21.218    211.886   29.826    150.895   30.190    38.777  2.8925  32.284  3.5499  6.492870       4.579115 
1 1 1 -7  5   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  5   43 o 13.373  3.5861  23.116    16.068    34.973    31.020    18.767    18.785    14.960  5.6548  11.787  4.4120  3.172520       7.172298 
1 1 1 -7  6   1  o 209.881 4.0741  5905.87   229.027   5882.83   323.892   5928.91   323.895   209.471 5.7728  210.291 5.7503  -0.8196259     8.148113 
1 1 1 -7  6   2  o 579.191 10.642  45261.71  1650.81   44418.01  2334.12   46106.09  2335.07   573.751 15.188  584.630 14.912  -10.87964      21.28493 
1 1 1 -7  6   3  o 93.185  2.1934  1163.33   54.742    1151.44   77.529    1175.16   77.305    92.709  3.1221  93.660  3.0815  -0.9505615     4.386739 
1 1 1 -7  6   4  o 318.677 5.9522  13630.94  508.060   13600.76  718.605   13661.12  718.406   318.324 8.4282  319.031 8.4071  -0.7073364     11.90436 
1 1 1 -7  6   5  o 409.326 7.6165  22520.19  834.931   22968.54  1181.11   22072.35  1180.43   413.412 10.666  405.239 10.875  8.173279       15.23300 
1 1 1 -7  6   6  o 272.398 5.0866  9952.68   371.124   9948.19   524.822   9957.18   524.876   272.337 7.1948  272.460 7.1923  -0.1230774     10.17316 
1 1 1 -7  6   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  6   8  o 292.413 5.4895  11472.09  429.916   11299.99  607.803   11644.42  608.184   290.214 7.8191  294.611 7.7072  -4.397247      10.97901 
1 1 1 -7  6   9  o 421.720 7.7383  23905.06  874.093   23971.72  1236.11   23838.38  1236.20   422.310 10.928  421.130 10.959  1.180542       15.47660 
1 1 1 -7  6   10 o 92.991  2.2538  1158.51   56.132    1139.43   79.279    1177.68   79.486    92.223  3.2094  93.759  3.1651  -1.535469      4.507574 
1 1 1 -7  6   11 o 175.166 3.5122  4113.46   164.745   4005.89   232.761   4221.44   233.210   172.869 5.0269  177.463 4.9063  -4.594086      7.024338 
1 1 1 -7  6   12 o 68.293  1.9107  624.840   34.945    610.502   49.312    639.303   49.527    67.506  2.7272  69.081  2.6767  -1.574402      3.821308 
1 1 1 -7  6   13 o 174.386 3.4835  4078.32   162.706   4045.75   229.938   4110.97   230.264   173.688 4.9426  175.084 4.9101  -1.395905      6.966908 
1 1 1 -7  6   14 o 369.563 6.9010  18420.83  683.047   18117.83  965.577   18724.33  966.372   366.500 9.8361  372.625 9.6824  -6.124939      13.80210 
1 1 1 -7  6   15 o 60.887  1.8972  496.860   30.936    486.013   43.683    507.774   43.817    60.220  2.7082  61.554  2.6576  -1.334183      3.794361 
1 1 1 -7  6   16 o 198.710 3.8355  5306.38   204.139   5289.33   288.501   5323.46   288.890   198.390 5.4292  199.031 5.4191  -0.6403351     7.670911 
1 1 1 -7  6   17 o 101.359 4.8708  1380.41   132.238   0.0000    0.0000    1380.41   132.238   ?       ?       101.359 4.8708  ?              ?        
1 1 1 -7  6   18 o 200.826 3.9505  5427.51   212.476   5328.54   300.195   5526.86   300.778   198.984 5.6324  202.669 5.5408  -3.684982      7.900919 
1 1 1 -7  6   19 o 96.306  2.3254  1244.56   59.973    1268.38   84.686    1220.59   84.944    97.233  3.2517  95.379  3.3250  1.853516       4.650733 
1 1 1 -7  6   20 o 171.175 3.4156  3940.79   156.583   4008.45   221.299   3872.95   221.586   172.653 4.7854  169.697 4.8751  2.956085       6.831262 
1 1 1 -7  6   21 o 126.586 2.8408  2152.81   96.300    2197.16   135.988   2108.20   136.389   127.899 3.9696  125.274 4.0647  2.625000       5.681527 
1 1 1 -7  6   22 o 18.835  2.4476  49.142    11.856    41.360    16.495    57.458    17.052    17.224  3.6868  20.446  3.2203  -3.221743      4.895212 
1 1 1 -7  6   23 o 223.711 4.3615  6758.06   261.295   6602.76   369.140   6914.00   369.915   221.116 6.2328  226.306 6.1026  -5.190460      8.722947 
1 1 1 -7  6   24 o 150.874 3.1934  3064.49   129.016   2978.82   182.132   3150.78   182.783   148.747 4.5714  153.000 4.4602  -4.252579      6.386772 
1 1 1 -7  6   25 o 90.585  2.3119  1103.27   56.051    1149.05   79.115    1057.14   79.423    92.479  3.1939  88.690  3.3434  3.789589       4.623776 
1 1 1 -7  6   26 o 106.732 2.5360  1533.70   72.485    1563.14   102.307   1504.03   102.714   107.767 3.5443  105.698 3.6281  2.069839       5.071952 
1 1 1 -7  6   27 o 80.496  2.6450  884.133   53.969    904.754   66.990    845.996   91.101    82.000  3.0500  78.992  4.3222  3.008522       5.290000 
1 1 1 -7  6   28 o 48.760  1.9234  321.384   24.971    342.861   35.241    299.725   35.389    50.418  2.6186  47.103  2.8179  3.315002       3.846788 
1 1 1 -7  6   29 o 35.953  1.9523  175.281   18.649    180.495   26.333    170.036   26.413    36.500  2.7129  35.406  2.8082  1.094036       3.904625 
1 1 1 -7  6   30 o 55.373  1.9742  414.823   29.201    431.149   41.122    398.217   41.473    56.522  2.7162  54.224  2.8657  2.298553       3.948455 
1 1 1 -7  6   31 o 115.970 2.6664  1833.22   82.796    1771.33   116.760   1895.81   117.425   113.972 3.8248  117.968 3.7163  -3.995834      5.332876 
1 1 1 -7  6   32 o 35.206  1.9854  168.931   18.548    160.149   26.119    177.867   26.346    34.263  2.8726  36.149  2.7414  -1.886238      3.970760 
1 1 1 -7  6   33 o 26.704  2.1605  98.354    14.983    81.257    20.819    116.721   21.579    24.203  3.2973  29.204  2.7927  -5.001244      4.321007 
1 1 1 -7  6   34 o 17.271  2.5894  41.862    12.312    15.923    16.674    72.957    18.256    11.602  4.1880  22.940  3.0465  -11.33817      5.178878 
1 1 1 -7  6   35 f 44.951  2.0492  277.148   24.536    275.688   34.314    278.675   35.099    44.839  2.8722  45.064  2.9237  -0.2243118     4.098476 
1 1 1 -7  6   36 o 79.979  2.2822  883.142   48.880    896.608   68.794    869.412   69.464    80.626  3.1856  79.332  3.2691  1.293335       4.564485 
1 1 1 -7  6   37 o 14.405  2.7317  28.860    12.414    50.917    17.441    6.2083    17.674    18.791  3.5963  10.020  4.1127  8.770981       5.463307 
1 1 1 -7  6   38 f 12.931  3.0030  23.267    12.032    19.266    16.199    28.191    17.972    11.962  4.1448  13.900  4.3467  -1.937490      6.006098 
1 1 1 -7  6   39 o 12.876  3.0562  23.562    12.526    26.981    17.282    19.778    18.182    13.549  4.2666  12.203  4.3770  1.346890       6.112424 
1 1 1 -7  6   40 o 27.557  2.4717  109.778   17.829    109.210   24.922    110.374   25.515    27.503  3.4597  27.610  3.5310  -0.1075153     4.943446 
1 1 1 -7  6   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  6   42 o 12.389  3.1105  21.844    13.021    18.299    18.306    25.474    18.526    11.726  4.3620  13.052  4.4356  -1.326302      6.221034 
1 1 1 -7  6   43 o 9.9123  2.8301  9.8202    11.563    9.2205    15.628    10.546    17.188    9.6788  3.9063  10.146  4.0961  -0.4671249     5.660129 
1 1 1 -7  7   1  o 632.241 11.649  54002.10  1972.63   54125.05  2789.74   53879.14  2789.70   632.967 16.455  631.515 16.492  1.452087       23.29728 
1 1 1 -7  7   2  o 354.782 6.5997  16906.39  626.992   16457.99  886.516   17355.17  886.883   350.061 9.4548  359.502 9.2103  -9.440826      13.19940 
1 1 1 -7  7   3  o 490.014 9.0656  32321.15  1189.85   32261.58  1682.83   32380.69  1682.58   489.560 12.833  490.468 12.808  -0.9078674     18.13116 
1 1 1 -7  7   4  o 249.543 4.6973  8351.16   313.952   8262.47   444.085   8439.79   443.905   248.216 6.6795  250.869 6.6062  -2.652969      9.394604 
1 1 1 -7  7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  7   6  o 272.261 5.1310  9942.99   374.156   10058.98  529.179   9827.04   529.093   273.851 7.2144  270.671 7.2980  3.180481       10.26195 
1 1 1 -7  7   7  o 235.112 4.4613  7412.32   280.915   7540.43   397.334   7284.29   397.213   237.146 6.2554  233.078 6.3626  4.067368       8.922542 
1 1 1 -7  7   8  o 481.825 8.9293  31249.38  1152.12   30479.87  1628.66   32020.18  1630.03   475.859 12.778  487.792 12.476  -11.93320      17.85850 
1 1 1 -7  7   9  o 68.816  1.9213  634.456   35.405    651.532   50.109    617.433   50.030    69.741  2.6825  67.891  2.7513  1.849937       3.842569 
1 1 1 -7  7   10 o 256.278 4.8583  8811.88   333.467   8693.46   471.451   8930.43   471.736   254.552 6.9147  258.004 6.8263  -3.451904      9.716523 
1 1 1 -7  7   11 o 173.287 3.4480  4025.87   160.035   4043.88   226.249   4007.83   226.396   173.676 4.8636  172.899 4.8887  0.7769012      6.895920 
1 1 1 -7  7   12 o 140.485 2.9493  2645.88   110.974   2671.84   156.861   2619.87   157.021   141.176 4.1483  139.795 4.1935  1.381439       5.898623 
1 1 1 -7  7   13 o 254.796 4.8417  8724.85   330.430   8725.97   467.126   8723.72   467.471   254.812 6.8442  254.779 6.8502  0.3369141E-01  9.683414 
1 1 1 -7  7   14 o 226.959 4.4330  6924.68   269.462   6821.30   380.798   7028.36   381.356   225.257 6.3114  228.662 6.2266  -3.404800      8.865910 
1 1 1 -7  7   15 o 340.141 6.3660  15641.20  579.974   15723.13  820.078   15559.22  820.338   341.041 8.9776  339.241 9.0281  1.800140       12.73197 
1 1 1 -7  7   16 o 221.189 5.1651  6494.19   291.096   6940.67   502.427   6268.59   357.148   226.592 8.2783  215.786 6.1792  10.80554       10.33020 
1 1 1 -7  7   17 o 213.329 5.0919  6117.24   275.295   6063.92   337.819   6222.63   474.991   212.218 5.9431  214.441 8.2697  -2.222656      10.18374 
1 1 1 -7  7   18 o 225.069 4.4400  6828.40   267.662   6836.57   378.354   6820.23   378.710   225.205 6.2724  224.932 6.2859  0.2724304      8.880025 
1 1 1 -7  7   19 o 261.835 4.9905  9262.77   349.960   9109.49   494.536   9416.52   495.300   259.648 7.1109  264.022 7.0039  -4.374359      9.980952 
1 1 1 -7  7   20 o 106.954 2.5255  1535.82   72.337    1563.16   102.075   1508.25   102.527   107.912 3.5315  105.995 3.6113  1.917831       5.051033 
1 1 1 -7  7   21 o 53.914  1.9405  390.679   27.946    404.762   39.299    376.271   39.749    54.938  2.6707  52.890  2.8160  2.047546       3.881000 
1 1 1 -7  7   22 o 168.163 3.4640  3806.34   156.027   3796.66   220.382   3816.07   220.931   167.949 4.8990  168.378 4.8987  -0.4288940     6.928070 
1 1 1 -7  7   23 o 115.612 2.6553  1796.14   82.226    1787.85   115.968   1804.52   116.604   115.343 3.7537  115.880 3.7568  -0.5360184     5.310694 
1 1 1 -7  7   24 o 99.451  2.3949  1329.17   63.791    1338.57   89.974    1319.68   90.455    99.806  3.3657  99.095  3.4079  0.7109222      4.789758 
1 1 1 -7  7   25 o 27.674  2.1120  104.036   15.310    90.549    21.246    118.608   22.083    25.765  3.1437  29.582  2.8212  -3.816620      4.223993 
1 1 1 -7  7   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  7   27 o 82.504  2.2200  917.067   49.056    904.067   69.173    930.222   69.582    81.913  3.1528  83.094  3.1263  -1.180656      4.440035 
1 1 1 -7  7   28 o 24.586  2.0740  82.605    13.385    80.345    18.753    84.953    19.112    24.236  2.9496  24.936  2.9165  -0.7008667     4.148037 
1 1 1 -7  7   29 f 60.193  2.0064  490.215   32.241    519.891   45.510    460.315   45.681    62.077  2.7371  58.308  2.9343  3.768509       4.012716 
1 1 1 -7  7   30 o 35.326  1.9509  169.723   18.302    174.678   25.753    164.667   26.014    35.861  2.7010  34.791  2.8158  1.070221       3.901793 
1 1 1 -7  7   31 o 87.116  2.2850  1030.94   53.317    1036.51   75.272    1025.33   75.531    87.358  3.2169  86.875  3.2460  0.4832458      4.570003 
1 1 1 -7  7   32 o 55.978  2.0116  426.064   30.060    422.532   42.317    429.663   42.708    55.743  2.8437  56.212  2.8458  -0.4689522     4.023105 
1 1 1 -7  7   33 f 63.071  2.1012  541.861   35.477    557.274   49.887    526.089   50.463    64.000  2.9101  62.142  3.0317  1.857979       4.202426 
1 1 1 -7  7   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  7   35 o 59.196  2.0992  481.276   33.224    482.968   46.687    479.540   47.289    59.351  2.9368  59.040  3.0002  0.3106880      4.198371 
1 1 1 -7  7   36 o 29.839  2.2655  124.629   17.815    126.968   25.040    122.231   25.352    30.148  3.1473  29.531  3.2595  0.6171703      4.531017 
1 1 1 -7  7   37 o 15.349  2.9392  34.850    12.362    33.812    16.934    36.034    18.090    15.121  4.0846  15.577  4.2276  -0.4559298     5.878480 
1 1 1 -7  7   38 o 18.683  2.8114  52.035    13.733    67.642    19.750    37.425    19.108    21.613  3.5338  15.753  4.3735  5.860644       5.622734 
1 1 1 -7  7   39 o 39.310  2.1967  218.706   22.921    225.825   32.183    211.377   32.651    40.017  3.0249  38.604  3.1862  1.413467       4.393454 
1 1 1 -7  7   40 f 20.961  2.8219  65.758    15.263    64.693    21.679    66.805    21.492    20.760  4.0442  21.162  3.9366  -0.4015884     5.643765 
1 1 1 -7  7   41 o 20.088  2.9989  62.044    15.641    54.679    21.841    69.797    22.409    18.724  4.4251  21.451  4.0486  -2.726843      5.997703 
1 1 1 -7  7   42 o 17.143  3.1400  47.148    14.615    53.217    20.685    41.097    20.654    18.341  4.2873  15.945  4.5888  2.396667       6.279950 
1 1 1 -7  8   1  o 457.088 8.4293  28105.12  1032.00   28152.05  1459.38   28058.18  1459.54   457.472 11.910  456.705 11.931  0.7670288      16.85852 
1 1 1 -7  8   2  o 472.720 8.7436  30072.61  1106.82   30853.24  1566.01   29293.42  1564.56   478.879 12.209  466.561 12.520  12.31711       17.48718 
1 1 1 -7  8   3  o 234.041 6.3233  7354.57   396.151   7031.24   558.140   7682.81   562.369   228.846 9.1056  239.236 8.7762  -10.38974      12.64652 
1 1 1 -7  8   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  8   5  o 436.890 8.0093  25661.47  937.210   25962.35  1325.80   25360.94  1325.03   439.459 11.263  434.321 11.390  5.138428       16.01868 
1 1 1 -7  8   6  o 228.334 4.3877  6990.89   268.323   7103.07   379.666   6878.94   379.268   230.166 6.1584  226.502 6.2515  3.664490       8.775417 
1 1 1 -7  8   7  o 370.438 6.8528  18433.35  679.935   18314.35  961.492   18552.39  961.656   369.238 9.7219  371.637 9.6608  -2.398834      13.70566 
1 1 1 -7  8   8  o 131.580 2.7671  2320.23   97.501    2375.87   137.895   2264.61   137.881   133.158 3.8663  130.001 3.9597  3.156967       5.534210 
1 1 1 -7  8   9  o 401.913 7.4566  21728.99  802.688   21508.00  1134.91   21950.18  1135.43   399.860 10.597  403.966 10.494  -4.106689      14.91323 
1 1 1 -7  8   10 o 240.785 4.5890  7781.47   295.873   7552.97   418.171   8010.53   418.684   237.238 6.5808  244.332 6.3976  -7.094086      9.178057 
1 1 1 -7  8   11 o 119.984 2.6386  1929.66   84.797    1944.60   119.903   1914.72   119.939   120.449 3.7165  119.520 3.7466  0.9299088      5.277227 
1 1 1 -7  8   12 o 317.946 6.0131  13614.33  512.066   13727.98  724.179   13500.69  724.164   319.280 8.4681  316.612 8.5393  2.668823       12.02612 
1 1 1 -7  8   13 o 448.582 8.3294  27318.91  1000.59   26666.84  1414.38   27972.20  1415.70   443.153 11.916  454.012 11.642  -10.85849      16.65880 
1 1 1 -7  8   14 o 137.284 2.9245  2529.19   107.532   2496.80   151.897   2561.74   152.249   136.402 4.1576  138.167 4.1140  -1.765213      5.848952 
1 1 1 -7  8   15 o 218.432 4.2455  6421.56   248.392   6420.61   351.149   6422.52   351.409   218.416 6.0023  218.448 6.0059  -0.3182983E-01 8.491044 
1 1 1 -7  8   16 o 86.598  2.6043  1003.01   57.513    995.389   71.052    1017.50   97.945    86.150  3.0792  87.047  4.2009  -0.8975372     5.208529 
1 1 1 -7  8   17 o 104.123 2.3964  1454.72   66.833    1453.88   94.367    1455.57   94.666    104.094 3.3846  104.153 3.3934  -0.5979919E-01 4.792740 
1 1 1 -7  8   18 o 80.743  2.1255  874.540   45.954    845.309   64.757    904.192   65.222    79.382  3.0456  82.104  2.9658  -2.721733      4.251076 
1 1 1 -7  8   19 o 124.689 2.7825  2088.07   92.923    2052.38   131.098   2124.11   131.731   123.616 3.9594  125.762 3.9107  -2.146011      5.565087 
1 1 1 -7  8   20 o 131.946 2.8454  2338.79   100.559   2334.26   141.954   2343.35   142.471   131.818 4.0205  132.074 4.0274  -0.2555695     5.690715 
1 1 1 -7  8   21 o 93.965  2.2832  1185.25   57.454    1207.45   81.064    1162.85   81.440    94.852  3.1908  93.079  3.2666  1.772926       4.566370 
1 1 1 -7  8   22 o 50.693  1.8911  345.670   25.586    343.123   36.009    348.267   36.361    50.504  2.6714  50.881  2.6774  -0.3776894     3.782219 
1 1 1 -7  8   23 o 102.137 2.4317  1401.79   66.516    1370.79   93.713    1433.26   94.425    100.996 3.4642  103.277 3.4135  -2.281021      4.863390 
1 1 1 -7  8   24 o 95.803  2.3714  1234.09   60.848    1212.90   85.652    1255.68   86.457    94.971  3.3671  96.634  3.3402  -1.663551      4.742854 
1 1 1 -7  8   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  8   26 o 56.179  1.9474  424.561   29.300    425.675   41.125    423.413   41.754    56.256  2.7293  56.102  2.7786  0.1540756      3.894855 
1 1 1 -7  8   27 o 32.332  1.9279  141.682   16.534    137.544   23.086    146.040   23.692    31.843  2.7333  32.821  2.7195  -0.9776917     3.855704 
1 1 1 -7  8   28 o 67.207  2.0389  609.534   36.698    595.047   51.570    624.396   52.233    66.395  2.8998  68.019  2.8670  -1.623726      4.077801 
1 1 1 -7  8   29 o 60.023  1.9930  486.747   32.024    465.324   44.930    508.867   45.656    58.673  2.8590  61.373  2.7774  -2.699703      3.985903 
1 1 1 -7  8   30 o 70.207  2.0997  667.775   39.483    661.201   55.636    674.446   56.040    69.858  2.9734  70.556  2.9654  -0.6984177     4.199319 
1 1 1 -7  8   31 o 17.152  2.5916  42.254    11.649    28.681    16.482    55.800    16.465    14.279  4.0962  20.025  3.1758  -5.745746      5.183168 
1 1 1 -7  8   32 o 44.420  2.0077  269.320   23.740    278.783   33.339    259.586   33.813    45.236  2.7648  43.604  2.9118  1.631817       4.015356 
1 1 1 -7  8   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  8   34 o 31.155  2.1927  134.440   18.050    134.046   25.220    134.854   25.845    31.120  3.0655  31.191  3.1361  -0.7130432E-01 4.385427 
1 1 1 -7  8   35 o 27.626  2.4095  108.158   17.011    83.049    23.753    134.594   24.372    24.105  3.8053  31.147  2.9569  -7.041788      4.819057 
1 1 1 -7  8   36 o 43.697  2.1008  265.090   24.407    246.451   33.921    285.097   35.144    42.068  3.0307  45.327  2.9101  -3.258556      4.201660 
1 1 1 -7  8   37 o 32.655  2.2122  150.730   19.036    160.627   26.529    140.228   27.329    33.858  2.9550  31.452  3.2928  2.405699       4.424331 
1 1 1 -7  8   38 o 14.138  3.0967  29.760    12.934    30.164    18.245    29.351    18.338    14.220  4.3686  14.056  4.3901  0.1639729      6.193341 
1 1 1 -7  8   39 f 10.903  2.9829  13.082    12.384    12.036    17.073    14.245    17.989    10.648  4.1508  11.158  4.2849  -0.5102587     5.965726 
1 1 1 -7  8   40 o 23.839  4.8021  88.964    29.602    88.964    29.602    0.0000    0.0000    23.839  4.8021  ?       ?       ?              ?        
1 1 1 -7  8   41 o 15.406  2.7999  34.235    14.360    67.854    20.409    1.2722    20.209    21.226  3.7257  9.5852  4.1805  11.64110       5.599742 
1 1 1 -7  9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  9   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  9   3  o 182.449 3.6352  4461.70   177.634   4529.26   251.457   4394.41   250.969   183.828 5.1070  181.069 5.1747  2.759125       7.270410 
1 1 1 -7  9   4  o 381.317 7.0708  19534.67  722.073   19927.61  1021.69   19142.54  1020.64   385.160 9.9035  377.475 10.095  7.685303       14.14155 
1 1 1 -7  9   5  o 472.464 8.7283  30042.76  1104.44   30568.38  1562.50   29517.93  1561.32   476.614 12.240  468.315 12.447  8.299011       17.45664 
1 1 1 -7  9   6  o 469.539 8.6693  29678.19  1090.22   30077.24  1542.29   29279.63  1541.33   472.709 12.181  466.369 12.339  6.340546       17.33853 
1 1 1 -7  9   7  o 230.956 4.3831  7156.55   270.986   6871.58   383.118   7441.87   383.346   226.347 6.3193  235.565 6.0756  -9.218719      8.766224 
1 1 1 -7  9   8  o 606.135 11.230  49745.74  1822.58   48310.54  2576.48   51183.26  2578.56   597.290 16.105  614.979 15.654  -17.68903      22.45909 
1 1 1 -7  9   9  o 30.815  1.7034  128.378   13.847    146.492   19.716    110.747   19.451    32.993  2.2444  28.637  2.5630  4.355509       3.406818 
1 1 1 -7  9   10 o 106.440 2.4100  1518.50   68.704    1496.30   97.087    1540.78   97.238    105.660 3.4305  107.220 3.3859  -1.560059      4.820029 
1 1 1 -7  9   11 o 144.998 3.0093  2820.13   116.859   2867.41   165.218   2772.80   165.309   146.216 4.2186  143.780 4.2925  2.436203       6.018513 
1 1 1 -7  9   12 o 136.906 2.9408  2514.67   107.838   2521.12   152.436   2508.20   152.577   137.083 4.1516  136.730 4.1662  0.3526764      5.881560 
1 1 1 -7  9   13 o 101.866 2.4308  1392.46   66.264    1460.75   93.757    1324.31   93.666    104.366 3.3539  99.366  3.5193  5.000481       4.861507 
1 1 1 -7  9   14 o 286.163 7.7148  11149.49  591.151   10788.93  832.324   11516.52  839.753   281.438 11.041  290.888 10.778  -9.450287      15.42968 
1 1 1 -7  9   15 o 158.671 3.9354  3347.42   159.057   3260.67   195.439   3517.60   273.728   155.773 4.6841  161.570 6.3251  -5.796814      7.870737 
1 1 1 -7  9   16 o 97.744  2.3466  1281.83   61.435    1278.59   86.740    1285.09   87.024    97.620  3.3174  97.868  3.3198  -0.2476730     4.693173 
1 1 1 -7  9   17 o 232.081 4.4708  7264.30   277.914   7233.73   392.797   7294.94   393.263   231.590 6.3323  232.573 6.3130  -0.9828644     8.941562 
1 1 1 -7  9   18 o 110.081 2.5455  1626.92   75.027    1570.26   105.799   1684.23   106.411   108.149 3.6523  112.013 3.5467  -3.863991      5.091040 
1 1 1 -7  9   19 o 81.459  2.1811  890.228   47.588    878.698   67.036    901.940   67.565    80.927  3.0926  81.991  3.0766  -1.064087      4.362289 
1 1 1 -7  9   20 o 36.870  1.8881  183.356   18.510    189.613   26.136    177.060   26.217    37.510  2.6178  36.231  2.7215  1.278824       3.776157 
1 1 1 -7  9   21 o 117.105 2.6482  1842.65   83.050    1795.42   117.086   1890.48   117.818   115.591 3.7817  118.619 3.7083  -3.028076      5.296486 
1 1 1 -7  9   22 o 74.097  2.0979  737.052   41.633    722.956   58.591    751.427   59.168    73.380  2.9810  74.813  2.9527  -1.432747      4.195816 
1 1 1 -7  9   23 o 59.573  2.0390  478.069   32.410    509.085   45.649    446.543   46.022    61.571  2.7680  57.574  2.9947  3.996387       4.077959 
1 1 1 -7  9   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  9   25 o 26.280  2.0387  94.104    14.097    96.082    19.622    91.994    20.268    26.581  2.7979  25.978  2.9659  0.6029949      4.077411 
1 1 1 -7  9   26 o 61.725  1.9953  513.047   32.983    500.333   46.273    526.178   47.025    60.946  2.8346  62.504  2.8089  -1.557564      3.990622 
1 1 1 -7  9   27 o 84.477  2.2552  964.439   51.024    947.234   71.774    982.017   72.550    83.713  3.2010  85.241  3.1776  -1.528847      4.510398 
1 1 1 -7  9   28 f 41.641  1.9339  235.157   21.444    236.754   30.036    233.496   30.626    41.793  2.6975  41.490  2.7718  0.3037109      3.867785 
1 1 1 -7  9   29 o 119.920 2.7360  1963.07   87.877    1978.24   123.969   1947.75   124.587   120.400 3.8441  119.440 3.8944  0.9609222      5.472031 
1 1 1 -7  9   30 o 79.466  2.2299  857.974   47.457    840.103   66.768    876.222   67.467    78.623  3.1705  80.308  3.1365  -1.684837      4.459753 
1 1 1 -7  9   31 o 48.789  2.0086  324.056   26.121    310.504   36.491    338.298   37.408    47.733  2.8675  49.846  2.8134  -2.113277      4.017157 
1 1 1 -7  9   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  9   33 o 36.249  2.1231  182.056   19.883    135.035   27.495    233.598   28.786    31.160  3.3468  41.337  2.6133  -10.17731      4.246202 
1 1 1 -7  9   34 o 18.171  2.8688  47.874    13.620    42.323    18.774    54.042    19.790    17.019  4.1548  19.323  3.9568  -2.304062      5.737500 
1 1 1 -7  9   35 o 47.773  2.1063  317.299   26.739    339.617   37.534    294.301   38.102    49.563  2.8392  45.982  3.1120  3.581467       4.212549 
1 1 1 -7  9   36 o 28.103  2.2865  111.672   16.888    108.002   23.443    115.632   24.350    27.620  3.2299  28.586  3.2373  -0.9661140     4.572966 
1 1 1 -7  9   37 o 11.759  2.9632  18.034    11.785    15.073    16.161    21.398    17.222    11.093  4.1040  12.425  4.2755  -1.331552      5.926440 
1 1 1 -7  9   38 o 14.286  3.0602  30.687    12.863    35.635    17.812    25.292    18.596    15.341  4.2082  13.232  4.4442  2.108731       6.120457 
1 1 1 -7  9   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  9   40 o 28.590  2.5321  120.500   18.960    122.823   26.799    118.172   26.829    28.900  3.5358  28.279  3.6255  0.6211071      5.064169 
1 1 1 -7  10  1  o 363.194 6.7414  17716.55  655.778   17506.34  926.987   17927.15  927.833   361.032 9.5860  365.357 9.4812  -4.324799      13.48279 
1 1 1 -7  10  2  o 350.632 6.5616  16510.09  616.234   16549.19  871.512   16470.99  871.462   351.048 9.2687  350.216 9.2902  0.8325500      13.12310 
1 1 1 -7  10  3  o 259.341 4.9301  9021.80   342.462   9059.28   484.517   8984.38   484.113   259.880 6.9606  258.802 6.9838  1.077850       9.860186 
1 1 1 -7  10  4  o 238.237 4.5863  7612.54   292.636   7514.00   414.000   7710.92   413.701   236.694 6.5302  239.780 6.4415  -3.086258      9.172541 
1 1 1 -7  10  5  o 197.972 3.8492  5254.82   204.094   5330.90   288.881   5178.99   288.384   199.404 5.4087  196.540 5.4781  2.864380       7.698322 
1 1 1 -7  10  6  o 254.990 4.8883  8725.29   333.839   8848.64   472.388   8602.22   471.852   256.793 6.8679  253.186 6.9579  3.607315       9.776532 
1 1 1 -7  10  7  o 232.863 4.4277  7276.26   276.138   7169.29   390.593   7383.15   390.444   231.148 6.3088  234.577 6.2142  -3.429047      8.855321 
1 1 1 -7  10  8  o 159.155 3.2928  3396.88   140.362   3360.20   198.629   3433.47   198.376   158.296 4.6847  160.015 4.6285  -1.719147      6.585557 
1 1 1 -7  10  9  o 130.407 2.7605  2280.09   96.421    2297.57   136.426   2262.65   136.294   130.907 3.8909  129.908 3.9170  0.9997559      5.521019 
1 1 1 -7  10  10 o 260.516 4.9945  9130.67   348.508   9142.74   492.838   9118.59   492.892   260.689 7.0582  260.343 7.0683  0.3462830      9.988937 
1 1 1 -7  10  11 o 250.158 4.8135  8425.63   322.402   8700.07   456.097   8151.55   455.794   254.250 6.6974  246.065 6.9156  8.185501       9.627089 
1 1 1 -7  10  12 o 319.897 5.9847  13830.79  512.788   13810.32  725.044   13851.28  725.339   319.658 8.4682  320.135 8.4590  -0.4768066     11.96931 
1 1 1 -7  10  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  10  14 o 290.034 5.5807  11376.03  433.526   11452.51  613.021   11299.51  613.177   291.020 7.8644  289.049 7.9200  1.970306       11.16130 
1 1 1 -7  10  15 f 68.254  1.9790  624.709   36.179    620.264   51.075    629.186   51.256    68.010  2.8038  68.497  2.7937  -0.4877090     3.958064 
1 1 1 -7  10  16 o 189.768 3.8079  4852.57   193.241   5172.08   273.443   4533.80   273.125   196.046 5.2074  183.490 5.5572  12.55626       7.615756 
1 1 1 -7  10  17 o 149.886 3.1576  3020.42   126.731   3099.16   179.112   2941.47   179.338   151.851 4.4037  147.922 4.5264  3.928436       6.315120 
1 1 1 -7  10  18 o 213.807 4.2099  6164.08   241.053   6031.59   340.507   6297.19   341.296   211.490 6.0110  216.124 5.8957  -4.634415      8.419737 
1 1 1 -7  10  19 f 98.123  2.3472  1292.36   61.689    1287.85   87.000    1296.93   87.483    97.951  3.3161  98.295  3.3228  -0.3443756     4.694389 
1 1 1 -7  10  20 o 163.456 3.3235  3596.99   145.498   3635.58   205.585   3558.26   205.946   164.340 4.6705  162.572 4.7295  1.767578       6.646936 
1 1 1 -7  10  21 o 45.637  1.9284  280.456   23.457    271.236   32.945    289.938   33.408    44.871  2.7545  46.403  2.6996  -1.531830      3.856768 
1 1 1 -7  10  22 o 79.708  2.1908  853.993   46.757    874.985   65.950    832.777   66.301    80.697  3.0512  78.719  3.1445  1.978424       4.381528 
1 1 1 -7  10  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  10  24 o 41.548  1.9196  233.052   21.185    210.945   29.563    256.390   30.375    39.502  2.8124  43.594  2.6134  -4.091885      3.839185 
1 1 1 -7  10  25 o 87.553  2.2924  1034.24   53.717    981.395   75.499    1088.42   76.445    85.275  3.3054  89.831  3.1771  -4.555801      4.584748 
1 1 1 -7  10  26 o 84.372  2.2402  962.164   50.608    984.061   71.243    939.860   71.902    85.353  3.1163  83.390  3.2191  1.962791       4.480373 
1 1 1 -7  10  27 f 66.246  2.0724  593.058   36.762    574.403   51.634    612.235   52.352    65.184  2.9574  67.308  2.9039  -2.123650      4.144733 
1 1 1 -7  10  28 o 104.099 2.5082  1474.16   69.910    1423.06   98.377    1526.30   99.365    102.256 3.5919  105.942 3.5017  -3.686241      5.016308 
1 1 1 -7  10  29 o 88.369  2.3421  1062.28   55.434    1059.57   78.033    1065.03   78.763    88.261  3.3008  88.478  3.3235  -0.2175827     4.684111 
1 1 1 -7  10  30 o 25.876  2.1957  92.330    14.863    83.646    20.747    101.484   21.302    24.579  3.2296  27.173  2.9755  -2.593569      4.391343 
1 1 1 -7  10  31 o 10.623  2.7951  12.210    10.654    10.489    15.295    13.833    14.850    10.347  3.9563  10.900  3.9496  -0.5538216     5.590298 
1 1 1 -7  10  32 o 78.401  2.2631  843.191   47.517    824.291   66.737    862.623   67.671    77.502  3.2149  79.301  3.1860  -1.798714      4.526126 
1 1 1 -7  10  33 o 14.330  2.9311  29.482    11.928    26.147    16.664    32.987    17.081    13.583  4.1754  15.078  4.1147  -1.494628      5.862183 
1 1 1 -7  10  34 o 30.914  2.1778  133.283   17.755    122.777   24.763    144.398   25.470    29.613  3.1713  32.215  2.9857  -2.601843      4.355639 
1 1 1 -7  10  35 o 13.072  2.2498  16.305    11.318    -20.2799  15.837    54.506    16.183    6.6059  3.1602  19.539  3.2032  -12.93288      4.499671 
1 1 1 -7  10  36 o 9.5789  2.7428  5.6158    11.239    13.198    16.147    -1.5107   15.654    10.761  4.0769  8.3966  3.6702  2.364548       5.485563 
1 1 1 -7  10  37 o 38.622  2.2073  211.140   22.573    193.240   31.772    229.384   32.075    36.873  3.2502  40.370  2.9875  -3.497063      4.414619 
1 1 1 -7  10  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  10  39 o 7.8630  2.5080  -6.6841   11.349    -0.1643   16.145    -13.0515  15.956    8.5804  3.7396  7.1456  3.3432  1.434776       5.016085 
1 1 1 -7  10  40 o 6.6379  2.2267  -15.4929  10.682    -12.6191  14.708    -18.7004  15.538    6.7720  3.1815  6.5037  3.1163  0.2682924      4.453458 
1 1 1 -7  11  1  o 566.787 10.493  43352.25  1592.90   42910.54  2252.10   43794.45  2253.29   563.877 14.911  569.697 14.767  -5.820068      20.98580 
1 1 1 -7  11  2  o 210.003 4.0833  5913.44   229.677   5861.61   324.717   5965.34   324.909   209.081 5.7983  210.925 5.7510  -1.844055      8.166674 
1 1 1 -7  11  3  o 357.677 6.7068  17193.70  642.490   17432.70  908.953   16955.06  908.284   360.169 9.4221  355.184 9.5473  4.984711       13.41363 
1 1 1 -7  11  4  o 257.406 4.8947  8891.81   337.455   9001.37   477.581   8782.58   476.886   258.993 6.8845  255.820 6.9597  3.172714       9.789448 
1 1 1 -7  11  5  o 275.595 5.2542  10199.97  387.805   10019.94  548.538   10379.88  548.341   273.157 7.4973  278.033 7.3632  -4.876251      10.50836 
1 1 1 -7  11  6  o 338.802 6.3337  15444.51  574.737   15264.79  812.846   15624.18  812.755   336.822 9.0099  340.782 8.9042  -3.960449      12.66737 
1 1 1 -7  11  7  o 370.804 6.9246  18537.30  687.722   18704.51  972.903   18370.31  972.271   372.486 9.7515  369.123 9.8339  3.363342       13.84910 
1 1 1 -7  11  8  f 218.039 4.2019  6386.04   245.391   6444.41   347.234   6327.81   346.837   219.037 5.9186  217.041 5.9661  1.995819       8.403818 
1 1 1 -7  11  9  o 73.058  1.9918  715.378   38.975    723.302   55.245    707.527   54.995    73.461  2.8077  72.655  2.8260  0.8058472      3.983627 
1 1 1 -7  11  10 o 224.020 4.3526  6752.29   261.104   6577.21   369.132   6927.61   369.382   221.100 6.2331  226.939 6.0768  -5.838974      8.705141 
1 1 1 -7  11  11 o 135.288 2.8490  2456.62   103.237   2472.50   145.996   2440.74   146.003   135.726 4.0159  134.849 4.0423  0.8766785      5.698040 
1 1 1 -7  11  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  11  13 o 37.764  1.7667  192.059   17.762    198.877   25.150    185.274   25.088    38.439  2.4556  37.088  2.5408  1.350559       3.533469 
1 1 1 -7  11  14 o 93.579  2.2601  1174.83   56.649    1173.28   80.015    1176.39   80.212    93.517  3.1944  93.641  3.1981  -0.1234283     4.520169 
1 1 1 -7  11  15 o 113.461 2.5876  1728.38   78.627    1759.78   111.132   1696.90   111.258   114.495 3.6238  112.426 3.6947  2.069481       5.175173 
1 1 1 -7  11  16 o 90.944  2.3056  1109.84   56.161    1109.12   79.243    1110.57   79.605    90.915  3.2542  90.973  3.2669  -0.5870056E-01 4.611102 
1 1 1 -7  11  17 o 228.777 4.5128  7064.83   276.525   7124.30   390.872   7005.25   391.259   229.749 6.3517  227.805 6.4123  1.944611       9.025629 
1 1 1 -7  11  18 o 26.181  2.0335  93.224    13.953    83.022    19.609    103.686   19.858    24.690  3.0286  27.671  2.7143  -2.980623      4.066905 
1 1 1 -7  11  19 o 198.013 3.9787  5290.94   211.020   5303.16   298.137   5278.68   298.718   198.245 5.6147  197.781 5.6388  0.4644775      7.957438 
1 1 1 -7  11  20 o 144.146 3.0578  2797.67   118.056   2802.68   166.655   2792.61   167.260   144.278 4.3125  144.014 4.3361  0.2637177      6.115514 
1 1 1 -7  11  21 o 199.235 4.0157  5377.37   214.296   5386.74   302.731   5367.96   303.391   199.414 5.6678  199.057 5.6903  0.3569031      8.031412 
1 1 1 -7  11  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  11  23 f 54.590  1.9422  401.221   28.348    393.762   39.823    408.884   40.363    54.039  2.7605  55.140  2.7329  -1.101131      3.884444 
1 1 1 -7  11  24 o 58.795  1.9759  466.121   31.009    431.415   43.474    502.064   44.242    56.520  2.8813  61.071  2.7046  -4.551369      3.951817 
1 1 1 -7  11  25 f 46.997  1.9367  298.713   24.272    296.237   34.079    301.262   34.579    46.800  2.7305  47.194  2.7474  -0.3936844     3.873483 
1 1 1 -7  11  26 o 42.838  1.9395  248.829   22.126    254.308   31.077    243.196   31.509    43.328  2.6912  42.348  2.7935  0.9798508      3.878958 
1 1 1 -7  11  27 o 34.268  1.9877  160.215   18.035    170.255   25.248    149.756   25.770    35.398  2.6829  33.137  2.9337  2.260723       3.975487 
1 1 1 -7  11  28 o 61.252  2.0471  508.404   33.582    508.465   47.167    508.341   47.823    61.261  2.8746  61.243  2.9154  0.1756668E-01  4.094196 
1 1 1 -7  11  29 o 36.497  2.0245  181.964   19.615    189.089   27.639    174.734   27.842    37.238  2.7914  35.755  2.9330  1.482922       4.049037 
1 1 1 -7  11  30 o 26.564  2.1739  97.476    15.173    98.884    21.224    96.005    21.700    26.779  3.0112  26.350  3.1362  0.4296398      4.347790 
1 1 1 -7  11  31 o 21.325  2.6269  67.615    13.928    98.459    19.659    36.534    19.735    26.737  2.7860  15.912  4.4542  10.82500       5.253716 
1 1 1 -7  11  32 o 47.290  2.0801  307.773   26.212    304.465   36.635    311.244   37.520    47.037  2.9223  47.542  2.9611  -0.5058098     4.160233 
1 1 1 -7  11  33 o 26.505  2.3252  98.821    16.145    102.208   22.908    95.479    22.756    26.982  3.2342  26.027  3.3415  0.9551125      4.650301 
1 1 1 -7  11  34 o 26.410  2.3599  99.381    16.208    108.298   22.587    89.915    23.272    27.756  3.0908  25.065  3.5671  2.690706       4.719875 
1 1 1 -7  11  35 o 24.645  2.5024  88.508    15.773    101.645   21.833    74.170    22.810    26.808  3.0977  22.483  3.9310  4.325071       5.004809 
1 1 1 -7  11  36 o 20.493  2.7706  63.432    14.534    83.692    20.548    43.148    20.560    24.178  3.2558  16.809  4.4839  7.368526       5.541210 
1 1 1 -7  11  37 o 10.917  2.9109  11.189    12.581    24.696    17.771    -2.3806   17.813    13.046  4.3442  8.7871  3.8756  4.259117       5.821702 
1 1 1 -7  11  38 o 22.108  2.8885  74.409    16.403    81.060    22.648    67.069    23.790    23.374  3.7438  20.843  4.3997  2.531424       5.776936 
1 1 1 -7  11  39 o 29.136  2.5090  125.871   19.155    119.397   26.899    132.531   27.283    28.304  3.6319  29.969  3.4626  -1.665237      5.018036 
1 1 1 -7  12  1  o 527.937 9.7487  37629.81  1378.44   37115.13  1948.74   38145.22  1950.09   524.296 13.877  531.577 13.696  -7.281677      19.49743 
1 1 1 -7  12  2  o 163.415 3.3101  3580.01   144.886   3587.34   204.820   3572.66   204.979   163.583 4.6746  163.247 4.6879  0.3355713      6.620280 
1 1 1 -7  12  3  o 157.246 3.2548  3315.44   137.069   3252.32   193.892   3378.50   193.797   155.748 4.6478  158.744 4.5578  -2.995956      6.509696 
1 1 1 -7  12  4  o 336.434 6.3721  15232.85  574.210   15267.28  812.340   15198.46  811.771   336.815 9.0044  336.053 9.0186  0.7626038      12.74420 
1 1 1 -7  12  5  o 270.152 5.1292  9810.72   371.135   9711.11   525.055   9910.19   524.673   268.776 7.2933  271.528 7.2142  -2.752014      10.25849 
1 1 1 -7  12  6  o 236.784 4.5310  7534.94   287.330   7676.66   406.695   7393.71   405.998   239.014 6.3527  234.554 6.4624  4.459976       9.061922 
1 1 1 -7  12  7  o 108.844 2.4466  1588.51   71.325    1580.28   101.024   1596.70   100.713   108.562 3.4742  109.125 3.4456  -0.5634155     4.893131 
1 1 1 -7  12  8  f 282.317 5.3545  10744.81  404.883   10857.97  572.862   10631.86  572.319   283.811 7.5358  280.823 7.6088  2.988373       10.70901 
1 1 1 -7  12  9  o 80.436  2.1030  867.476   45.302    886.559   64.255    848.615   63.880    81.316  2.9501  79.556  2.9978  1.760658       4.205951 
1 1 1 -7  12  10 o 181.317 4.3360  4330.40   200.759   4742.52   346.685   4122.47   246.248   187.536 6.9018  175.099 5.2505  12.43607       8.671935 
1 1 1 -7  12  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  12  12 o 83.193  2.1436  928.333   47.765    936.812   67.588    919.873   67.513    83.573  3.0194  82.813  3.0437  0.7600021      4.287245 
1 1 1 -7  12  13 o 315.348 5.9364  13483.20  501.416   13551.13  709.080   13415.26  709.139   316.153 8.3735  314.544 8.4171  1.608856       11.87280 
1 1 1 -7  12  14 o 286.677 5.4786  11127.22  420.676   11076.48  594.764   11178.01  595.088   286.017 7.7636  287.337 7.7321  -1.320526      10.95718 
1 1 1 -7  12  15 o 198.083 3.9780  5286.34   211.039   5367.92   298.385   5204.69   298.525   199.622 5.5806  196.545 5.6706  3.076965       7.956048 
1 1 1 -7  12  16 o 147.143 3.1084  2910.62   122.507   2896.59   173.060   2924.72   173.443   146.787 4.4017  147.499 4.3901  -0.7124023     6.216759 
1 1 1 -7  12  17 o 68.842  2.0165  635.793   37.182    633.303   52.440    638.310   52.727    68.706  2.8496  68.977  2.8539  -0.2708893     4.032978 
1 1 1 -7  12  18 f 126.376 2.7901  2147.80   94.405    2215.82   133.367   2079.50   133.651   128.390 3.8782  124.362 4.0123  4.028206       5.580228 
1 1 1 -7  12  19 o 56.217  1.9405  424.126   29.217    417.920   41.005    430.526   41.640    55.800  2.7436  56.635  2.7450  -0.8352852     3.881003 
1 1 1 -7  12  20 o 129.648 2.8032  2264.81   97.303    2335.28   137.398   2193.91   137.817   131.684 3.8954  127.611 4.0320  4.073296       5.606418 
1 1 1 -7  12  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  12  22 f 49.761  1.9185  333.886   25.467    324.358   35.723    343.734   36.317    49.035  2.7308  50.487  2.6953  -1.452435      3.836915 
1 1 1 -7  12  23 o 8.3145  2.3315  4.8757    7.7619    6.5303    10.792    3.1030    11.171    8.6015  3.3148  8.0275  3.2794  0.5740395      4.662905 
1 1 1 -7  12  24 o 15.044  2.4640  32.049    9.9307    42.843    14.084    21.377    14.004    17.556  3.1089  12.531  3.8235  5.025508       4.927928 
1 1 1 -7  12  25 o 37.100  1.9120  186.569   18.853    176.216   26.275    197.556   27.067    36.028  2.7434  38.172  2.6640  -2.144817      3.824048 
1 1 1 -7  12  26 o 34.773  1.9760  165.176   18.151    181.842   25.501    148.065   25.840    36.602  2.6185  32.944  2.9600  3.658340       3.951935 
1 1 1 -7  12  27 o 48.146  1.9939  315.544   25.543    335.103   35.859    295.400   36.392    49.696  2.7041  46.596  2.9308  3.099731       3.987731 
1 1 1 -7  12  28 o 30.557  2.0661  127.844   16.701    125.626   23.381    130.156   23.865    30.285  2.9185  30.829  2.9252  -0.5440941     4.132099 
1 1 1 -7  12  29 o 34.197  2.0600  160.364   18.672    164.177   26.091    156.360   26.734    34.637  2.8372  33.757  2.9876  0.8797836      4.120093 
1 1 1 -7  12  30 o 11.014  2.7147  15.082    9.8658    12.697    13.728    17.629    14.188    10.451  3.7958  11.576  3.8819  -1.124646      5.429356 
1 1 1 -7  12  31 o 42.743  2.0596  251.414   23.435    249.805   32.779    253.097   33.516    42.612  2.8891  42.874  2.9362  -0.2626152     4.119247 
1 1 1 -7  12  32 o 37.054  2.1150  190.718   20.769    201.829   29.179    179.309   29.567    38.205  2.8725  35.903  3.1052  2.301865       4.230021 
1 1 1 -7  12  33 o 19.561  2.6936  56.704    13.540    74.351    19.171    39.139    19.126    22.906  3.2131  16.217  4.3241  6.689016       5.387207 
1 1 1 -7  12  34 o 17.540  2.8591  45.945    13.182    41.202    18.882    50.456    18.412    16.572  4.2373  18.508  3.8398  -1.936337      5.718284 
1 1 1 -7  12  35 o 9.6133  2.7197  7.2513    10.775    12.397    15.367    2.2740    15.113    10.470  3.9746  8.7571  3.7134  1.712411       5.439336 
1 1 1 -7  12  36 o 23.293  2.6554  79.612    16.001    77.731    22.500    81.537    22.759    22.994  3.7850  23.592  3.7253  -0.5983467     5.310737 
1 1 1 -7  12  37 o 8.0102  2.5305  -5.8975   11.393    2.2226    15.949    -14.3586  16.281    8.8790  3.7913  7.1413  3.3526  1.737709       5.061016 
1 1 1 -7  12  38 o 20.335  3.0399  64.561    16.040    65.644    22.622    63.466    22.745    20.543  4.2515  20.128  4.3461  0.4142609      6.079823 
1 1 1 -7  13  1  o 201.257 3.9726  5435.09   214.121   5326.78   302.449   5543.92   303.178   199.243 5.6673  203.270 5.5685  -4.027161      7.945209 
1 1 1 -7  13  2  o 141.136 2.9391  2670.80   111.106   2674.36   157.002   2667.22   157.253   141.230 4.1504  141.041 4.1626  0.1893005      5.878182 
1 1 1 -7  13  3  o 121.869 2.6732  1991.23   87.259    2001.81   123.489   1980.68   123.318   122.193 3.7731  121.545 3.7879  0.6472626      5.346415 
1 1 1 -7  13  4  o 254.789 4.8854  8731.12   333.385   8631.38   471.604   8830.76   471.352   253.328 6.9503  256.250 6.8674  -2.922150      9.770781 
1 1 1 -7  13  5  o 96.232  2.2943  1242.13   59.103    1197.57   83.754    1286.33   83.415    94.510  3.3086  97.954  3.1793  -3.444107      4.588525 
1 1 1 -7  13  6  o 77.277  2.0720  800.509   42.882    817.518   60.877    783.758   60.413    78.092  2.9104  76.461  2.9499  1.630463       4.143941 
1 1 1 -7  13  7  o 271.267 5.1338  9922.35   373.009   9957.65   527.752   9887.11   527.279   271.752 7.2505  270.783 7.2699  0.9691162      10.26752 
1 1 1 -7  13  8  o 216.101 4.2088  6286.03   243.606   6359.69   344.766   6212.60   344.256   217.371 5.9215  214.832 5.9827  2.539536       8.417633 
1 1 1 -7  13  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  13  10 o 124.344 2.7755  2075.93   92.439    2067.92   130.891   2083.90   130.566   124.104 3.9376  124.585 3.9127  -0.4806061     5.551071 
1 1 1 -7  13  11 o 33.910  1.7550  155.003   15.828    153.111   22.469    156.866   22.300    33.701  2.5071  34.118  2.4567  -0.4173012     3.510073 
1 1 1 -7  13  12 o 146.493 3.0241  2883.56   118.659   2868.12   167.829   2899.00   167.790   146.100 4.2887  146.887 4.2648  -0.7870483     6.048256 
1 1 1 -7  13  13 o 165.059 3.3613  3665.98   148.471   3851.59   210.181   3481.12   209.760   169.248 4.6364  160.870 4.8681  8.378220       6.722676 
1 1 1 -7  13  14 o 309.156 5.9201  12971.88  490.204   13111.79  693.282   12832.00  693.222   310.845 8.3268  307.466 8.4176  3.378387       11.84021 
1 1 1 -7  13  15 o 203.883 4.0202  5603.76   219.523   5514.15   310.272   5693.58   310.634   202.241 5.7277  205.525 5.6428  -3.284012      8.040406 
1 1 1 -7  13  16 o 105.390 2.4729  1491.73   69.799    1516.39   98.604    1466.98   98.817    106.265 3.4643  104.515 3.5299  1.750893       4.945873 
1 1 1 -7  13  17 o 103.492 2.4374  1438.87   67.562    1451.24   95.414    1426.43   95.681    103.940 3.4272  103.044 3.4667  0.8961182      4.874806 
1 1 1 -7  13  18 o 162.961 3.3574  3581.64   146.544   3544.35   206.951   3619.15   207.539   162.106 4.7663  163.816 4.7299  -1.710434      6.714880 
1 1 1 -7  13  19 o 76.083  2.1548  778.282   43.893    802.006   61.939    754.351   62.210    77.253  2.9934  74.913  3.1003  2.339645       4.309566 
1 1 1 -7  13  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  13  21 o 39.180  1.9229  207.698   20.021    219.902   28.241    195.366   28.389    40.356  2.6270  38.004  2.8088  2.351601       3.845836 
1 1 1 -7  13  22 o 47.376  1.9223  303.157   24.288    296.839   34.142    309.630   34.557    46.873  2.7313  47.880  2.7057  -1.006546      3.844570 
1 1 1 -7  13  23 o 50.844  1.9403  349.980   26.278    373.017   37.120    326.839   37.205    52.545  2.6460  49.143  2.8386  3.402134       3.880561 
1 1 1 -7  13  24 o 64.475  2.0394  561.653   35.218    555.980   49.483    567.476   50.134    64.146  2.8800  64.804  2.8883  -0.6581573     4.078836 
1 1 1 -7  13  25 o 58.980  2.0204  471.741   31.809    499.948   44.879    443.270   45.090    60.813  2.7553  57.148  2.9558  3.664764       4.040836 
1 1 1 -7  13  26 o 30.437  2.0362  126.989   16.333    137.552   22.918    116.087   23.283    31.771  2.7194  29.103  3.0313  2.667818       4.072354 
1 1 1 -7  13  27 o 50.721  2.0074  349.995   27.145    333.520   38.074    367.024   38.710    49.490  2.8848  51.951  2.7922  -2.460548      4.014731 
1 1 1 -7  13  28 f 33.921  2.0659  158.335   18.490    172.947   25.897    143.140   26.408    35.582  2.7383  32.260  3.0942  3.321865       4.131861 
1 1 1 -7  13  29 o 18.916  2.6081  50.945    12.733    50.632    17.692    51.282    18.339    18.869  3.6325  18.963  3.7435  -0.9425926E-01 5.216153 
1 1 1 -7  13  30 o 23.723  2.4664  80.125    14.983    93.382    20.995    66.367    21.388    25.904  3.0867  21.543  3.8477  4.360559       4.932839 
1 1 1 -7  13  31 o 13.671  2.8663  26.277    11.616    17.266    16.169    35.889    16.698    11.665  4.1336  15.677  3.9719  -4.011833      5.732547 
1 1 1 -7  13  32 o 37.925  2.0983  200.145   21.137    193.648   29.455    207.044   30.350    37.284  2.9742  38.566  2.9607  -1.281845      4.196646 
1 1 1 -7  13  33 o 15.275  2.9413  34.641    12.415    29.845    17.226    39.823    17.907    14.212  4.2193  16.338  4.0989  -2.126042      5.882499 
1 1 1 -7  13  34 o 9.2362  2.6497  3.1842    11.057    -9.3808   16.016    14.624    15.282    7.5910  3.4798  10.881  3.9969  -3.290476      5.299413 
1 1 1 -7  13  35 o 11.640  2.9293  17.197    11.879    9.2679    16.795    25.135    16.804    10.167  4.0684  13.114  4.2156  -2.947909      5.858641 
1 1 1 -7  13  36 o 17.107  3.1542  45.410    14.602    46.036    20.448    44.757    20.858    17.248  4.4092  16.966  4.5117  0.2823219      6.308451 
1 1 1 -7  13  37 o 24.892  2.7272  93.208    17.549    101.267   25.003    85.384    24.636    26.087  3.6806  23.697  4.0253  2.390141       5.454391 
1 1 1 -7  14  1  o 200.988 3.9572  5425.12   213.033   5426.36   300.938   5423.86   301.611   201.011 5.5894  200.964 5.6033  0.4772949E-01  7.914427 
1 1 1 -7  14  2  o 161.094 3.2842  3482.91   141.707   3456.53   200.214   3509.38   200.596   160.482 4.6578  161.706 4.6314  -1.223999      6.568438 
1 1 1 -7  14  3  o 194.993 3.9042  5109.76   203.877   5220.64   288.453   4999.07   288.197   197.114 5.4635  192.872 5.5787  4.241684       7.808390 
1 1 1 -7  14  4  f 291.213 5.5471  11442.45  432.675   11451.44  612.097   11433.48  611.693   291.327 7.8442  291.098 7.8452  0.2287598      11.09412 
1 1 1 -7  14  5  o 345.182 6.5298  16139.32  603.709   16287.24  854.200   15991.70  853.347   346.779 9.1964  343.586 9.2726  3.192627       13.05967 
1 1 1 -7  14  6  o 143.689 3.0181  2772.53   116.138   2840.65   164.599   2704.99   163.891   145.451 4.2249  141.928 4.3112  3.523087       6.036260 
1 1 1 -7  14  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  14  8  o 203.898 4.0171  5597.68   219.352   5717.39   310.498   5478.41   309.924   206.084 5.6250  201.711 5.7364  4.373734       8.034113 
1 1 1 -7  14  9  o 155.559 3.1924  3252.16   133.013   3279.11   188.343   3225.34   187.876   156.204 4.5016  154.915 4.5278  1.289078       6.384828 
1 1 1 -7  14  10 o 44.137  1.8283  262.100   21.468    286.186   30.712    239.086   30.021    46.134  2.4947  42.140  2.6735  3.993473       3.656660 
1 1 1 -7  14  11 o 112.479 2.5354  1698.53   76.367    1743.50   108.172   1653.84   107.828   113.966 3.5436  110.991 3.6271  2.975037       5.070792 
1 1 1 -7  14  12 o 22.111  2.3052  67.407    13.097    56.264    18.460    78.702    18.585    20.178  3.5449  24.043  2.9478  -3.864237      4.610340 
1 1 1 -7  14  13 o 192.988 3.8716  5017.44   200.119   4965.65   282.950   5069.29   283.073   191.986 5.5024  193.990 5.4479  -2.004501      7.743110 
1 1 1 -7  14  14 o 74.882  2.1024  752.616   42.136    787.816   59.715    717.710   59.465    76.629  2.9094  73.134  3.0357  3.494743       4.204719 
1 1 1 -7  14  15 o 138.080 2.9379  2563.90   108.656   2584.00   153.669   2543.80   153.656   138.624 4.1387  137.537 4.1710  1.086960       5.875870 
1 1 1 -7  14  16 o 200.970 4.0035  5457.64   215.463   5583.80   304.727   5331.50   304.694   203.314 5.5957  198.627 5.7271  4.686890       8.006999 
1 1 1 -7  14  17 o 100.706 2.4357  1363.59   65.700    1354.90   92.753    1372.35   93.076    100.383 3.4497  101.029 3.4396  -0.6456451     4.871444 
1 1 1 -7  14  18 o 91.525  2.3108  1126.86   56.641    1145.70   79.981    1107.91   80.224    92.297  3.2353  90.754  3.3003  1.542633       4.621560 
1 1 1 -7  14  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  14  20 o 36.162  1.9058  177.190   18.241    157.423   25.629    197.484   25.968    34.085  2.8329  38.240  2.5500  -4.154934      3.811536 
1 1 1 -7  14  21 o 97.524  2.4071  1285.07   62.874    1292.67   88.669    1277.39   89.168    97.819  3.3842  97.229  3.4239  0.5897598      4.814157 
1 1 1 -7  14  22 o 43.960  1.9201  261.566   22.473    245.903   31.555    277.687   32.013    42.608  2.7801  45.312  2.6492  -2.703167      3.840274 
1 1 1 -7  14  23 o 29.165  2.0224  116.327   15.517    128.505   21.950    104.162   21.938    30.739  2.6931  27.591  3.0178  3.147850       4.044715 
1 1 1 -7  14  24 o 28.285  2.0445  109.435   15.248    103.123   21.534    115.781   21.594    27.441  2.9777  29.129  2.8023  -1.688173      4.088939 
1 1 1 -7  14  25 o 54.326  2.0203  400.801   29.286    387.635   41.091    414.393   41.751    53.410  2.8830  55.242  2.8312  -1.831715      4.040687 
1 1 1 -7  14  26 o 20.358  2.4568  58.251    12.873    64.522    18.186    51.953    18.225    21.535  3.2543  19.181  3.6814  2.354635       4.913548 
1 1 1 -7  14  27 o 19.738  2.5224  54.978    12.842    55.252    17.979    54.691    18.349    19.802  3.5187  19.674  3.6151  0.1277237      5.044868 
1 1 1 -7  14  28 o 32.601  2.1560  147.423   18.452    164.467   25.814    129.613   26.387    34.626  2.8075  30.577  3.2727  4.049074       4.311916 
1 1 1 -7  14  29 o 16.726  2.8552  40.506    12.664    36.433    17.584    44.896    18.255    15.841  4.1093  17.612  3.9652  -1.771291      5.710455 
1 1 1 -7  14  30 o 22.685  2.4737  73.143    14.537    74.814    20.359    71.405    20.764    22.985  3.4103  22.384  3.5841  0.6008358      4.947303 
1 1 1 -7  14  31 o 52.137  2.1031  377.468   29.244    371.141   40.944    384.057   41.783    51.693  2.9696  52.582  2.9790  -0.8886108     4.206275 
1 1 1 -7  14  32 o 20.235  2.6638  59.765    13.857    71.156    20.024    49.294    19.197    22.242  3.4747  18.227  4.0385  4.015425       5.327566 
1 1 1 -7  14  33 o 10.598  2.6971  8.6642    11.295    -8.1241   15.584    27.240    16.393    7.6015  3.4648  13.594  4.1342  -5.992317      5.394116 
1 1 1 -7  14  34 o 37.312  2.2234  197.307   21.991    203.690   30.836    190.700   31.371    37.986  3.0566  36.639  3.2297  1.346642       4.446797 
1 1 1 -7  14  35 o 24.406  3.6757  87.513    23.283    87.513    23.283    0.0000    0.0000    24.406  3.6757  ?       ?       ?              ?        
1 1 1 -7  14  36 f 39.539  2.2780  226.121   23.844    240.895   33.445    210.849   34.003    40.993  3.0682  38.085  3.3680  2.907955       4.556046 
1 1 1 -7  15  1  o 259.821 4.9889  9096.81   347.161   8953.62   490.469   9240.57   491.452   257.761 7.1040  261.881 7.0063  -4.120148      9.977749 
1 1 1 -7  15  2  o 142.634 3.0169  2731.23   115.252   2690.44   162.769   2772.25   163.213   141.563 4.2927  143.704 4.2403  -2.140701      6.033865 
1 1 1 -7  15  3  o 61.103  1.8954  500.645   31.011    515.533   43.856    485.756   43.857    62.013  2.6403  60.194  2.7202  1.819405       3.790879 
1 1 1 -7  15  4  o 122.878 2.7145  2026.68   89.340    2015.03   126.458   2038.30   126.234   122.525 3.8533  123.232 3.8244  -0.7073898     5.429013 
1 1 1 -7  15  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  15  6  o 51.810  2.1909  359.312   29.083    354.095   36.298    368.666   48.605    51.321  2.6496  52.298  3.4898  -0.9766006     4.381729 
1 1 1 -7  15  7  o 103.257 2.4313  1430.79   67.240    1448.63   95.380    1413.16   94.806    103.897 3.4274  102.616 3.4493  1.281319       4.862593 
1 1 1 -7  15  8  o 110.266 2.5373  1632.08   74.938    1646.33   106.293   1618.01   105.665   110.745 3.5834  109.788 3.5933  0.9574509      5.074649 
1 1 1 -7  15  9  o 74.211  2.0421  738.619   40.587    754.708   57.708    722.870   57.095    75.011  2.8722  73.411  2.9037  1.600449       4.084253 
1 1 1 -7  15  10 o 147.778 3.1090  2935.48   123.046   2990.15   174.313   2881.19   173.714   149.153 4.3632  146.402 4.4300  2.750778       6.217904 
1 1 1 -7  15  11 o 130.306 2.8369  2281.72   98.980    2213.17   140.072   2350.10   139.886   128.344 4.0746  132.268 3.9485  -3.923721      5.673890 
1 1 1 -7  15  12 o 32.428  1.8892  142.006   16.246    150.130   23.120    134.082   22.834    33.357  2.6085  31.499  2.7335  1.857529       3.778384 
1 1 1 -7  15  13 o 98.368  2.3904  1299.21   62.980    1302.26   89.142    1296.18   88.994    98.483  3.3793  98.253  3.3816  0.2302017      4.780726 
1 1 1 -7  15  14 o 156.385 3.2672  3293.40   136.834   3227.25   193.453   3359.64   193.572   154.805 4.6655  157.965 4.5750  -3.159927      6.534382 
1 1 1 -7  15  15 o 25.499  2.0845  88.459    13.974    88.578    19.815    88.342    19.710    25.515  2.9540  25.482  2.9418  0.3276253E-01  4.168980 
1 1 1 -7  15  16 o 39.230  1.9212  207.664   20.057    213.998   28.438    201.395   28.293    39.832  2.6811  38.629  2.7525  1.203724       3.842471 
1 1 1 -7  15  17 f 90.637  4.9367  1115.11   119.396   0.0000    0.0000    1115.11   119.396   ?       ?       90.637  4.9367  ?              ?        
1 1 1 -7  15  18 o 32.552  1.9765  143.536   17.066    141.604   24.053    145.493   24.217    32.329  2.8055  32.776  2.7849  -0.4469795     3.953074 
1 1 1 -7  15  19 o 106.982 2.5226  1545.58   72.284    1535.29   102.050   1555.94   102.400   106.623 3.5733  107.341 3.5616  -0.7175064     5.045171 
1 1 1 -7  15  20 o 132.830 2.9356  2395.85   104.441   2394.27   147.460   2397.44   147.946   132.788 4.1460  132.871 4.1570  -0.8306885E-01 5.871101 
1 1 1 -7  15  21 o 36.708  1.9301  182.741   18.841    182.293   26.497    183.198   26.795    36.664  2.7175  36.752  2.7418  -0.8744049E-01 3.860292 
1 1 1 -7  15  22 o 28.009  2.0371  107.135   15.061    110.033   21.380    104.281   21.220    28.395  2.8496  27.623  2.9119  0.7716484      4.074244 
1 1 1 -7  15  23 o 79.237  2.2389  851.792   47.510    864.355   66.962    839.056   67.420    79.836  3.1314  78.637  3.2009  1.198990       4.477893 
1 1 1 -7  15  24 o 25.045  2.1588  86.339    14.181    86.329    19.957    86.349    20.154    25.047  3.0370  25.042  3.0688  0.4034042E-02  4.317523 
1 1 1 -7  15  25 f 45.439  2.0064  281.266   24.275    266.256   34.105    296.681   34.561    44.189  2.8975  46.689  2.7762  -2.499210      4.012776 
1 1 1 -7  15  26 o 52.383  2.0579  374.877   28.729    394.263   40.644    355.520   40.615    53.767  2.8322  50.998  2.9863  2.769199       4.115772 
1 1 1 -7  15  27 o 21.623  2.5125  66.099    13.904    53.194    19.299    80.026    20.050    19.282  3.8714  23.965  3.2037  -4.683243      5.025060 
1 1 1 -7  15  28 o 10.680  2.5958  9.4122    10.617    -7.9031   14.844    27.546    15.191    7.5054  3.4057  13.855  3.9184  -6.349269      5.191553 
1 1 1 -7  15  29 o 27.591  2.4223  109.928   16.728    141.136   23.481    77.771    23.836    31.953  2.7710  23.228  3.9740  8.725206       4.844651 
1 1 1 -7  15  30 o 7.9074  2.3717  -2.3106   9.2879    -12.0691  12.864    8.3177    13.425    6.3943  2.9949  9.4205  3.6784  -3.026235      4.743375 
1 1 1 -7  15  31 o 24.681  2.4860  87.519    15.915    79.816    22.418    95.345    22.597    23.489  3.6845  25.873  3.3385  -2.384169      4.972065 
1 1 1 -7  15  32 o 8.9908  2.5026  0.7969    10.180    17.924    14.720    -14.9046  14.094    11.487  3.9527  6.4950  3.0706  4.991714       5.005262 
1 1 1 -7  15  33 o 18.722  2.8693  53.213    14.328    31.152    19.995    76.494    20.541    14.439  4.5939  23.004  3.4392  -8.565173      5.738673 
1 1 1 -7  15  34 o 16.784  4.4288  43.520    20.199    43.520    20.199    0.0000    0.0000    16.784  4.4288  ?       ?       ?              ?        
1 1 1 -7  15  35 f 8.7310  2.6302  -0.6017   11.328    -10.9165  15.610    10.873    16.464    7.2326  3.3580  10.229  4.0491  -2.996752      5.260413 
1 1 1 -7  16  1  o 194.384 3.8701  5084.04   201.490   5125.28   284.614   5042.60   285.288   195.179 5.4442  193.589 5.5019  1.589951       7.740172 
1 1 1 -7  16  2  o 173.917 4.9779  4082.89   231.848   4070.36   324.710   4095.92   331.149   173.656 6.9810  174.178 7.0981  -0.5214386     9.955763 
1 1 1 -7  16  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  16  4  o 68.668  2.0198  632.459   37.138    650.973   52.596    614.051   52.447    69.671  2.8185  67.664  2.8938  2.007149       4.039548 
1 1 1 -7  16  5  o 96.914  2.3671  1260.36   61.441    1280.90   87.152    1240.06   86.631    97.701  3.3304  96.128  3.3646  1.572212       4.734119 
1 1 1 -7  16  6  o 96.054  2.3425  1238.45   60.251    1208.47   85.405    1268.15   85.012    94.893  3.3601  97.214  3.2648  -2.320648      4.685056 
1 1 1 -7  16  7  o 79.872  2.1520  855.833   46.026    883.578   65.403    828.612   64.781    81.156  3.0088  78.588  3.0775  2.567970       4.303940 
1 1 1 -7  16  8  o 161.584 3.3517  3512.01   145.028   3604.80   205.501   3419.95   204.703   163.718 4.6863  159.450 4.7930  4.268250       6.703327 
1 1 1 -7  16  9  o 66.428  2.0416  592.242   36.305    574.195   51.600    609.935   51.089    65.423  2.9446  67.433  2.8286  -2.009773      4.083107 
1 1 1 -7  16  10 o 127.657 2.8021  2189.51   95.810    2185.59   135.737   2193.41   135.257   127.542 3.9733  127.772 3.9522  -0.2300949     5.604199 
1 1 1 -7  16  11 o 141.467 3.0214  2691.51   114.429   2795.62   162.196   2588.34   161.462   144.201 4.1994  138.733 4.3451  5.467865       6.042745 
1 1 1 -7  16  12 o 274.491 5.2637  10227.55  387.001   10212.67  547.446   10242.41  547.159   274.288 7.4515  274.695 7.4366  -0.4064026     10.52750 
1 1 1 -7  16  13 f 71.648  2.0760  689.139   39.836    703.385   56.529    675.084   56.147    72.385  2.9156  70.911  2.9561  1.473572       4.152054 
1 1 1 -7  16  14 o 54.270  1.9463  395.962   28.223    413.630   40.154    378.711   39.678    55.507  2.7008  53.034  2.8032  2.473183       3.892575 
1 1 1 -7  16  15 o 142.355 3.0315  2734.15   115.572   2675.23   163.382   2793.16   163.504   140.809 4.3320  143.902 4.2420  -3.092194      6.063064 
1 1 1 -7  16  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  16  17 o 9.8464  2.3064  9.3981    8.1210    21.857    11.658    -2.3471   11.319    12.527  3.3913  7.1658  3.1269  5.361287       4.612854 
1 1 1 -7  16  18 o 25.348  2.0474  87.694    13.646    85.616    19.362    89.745    19.236    25.038  2.9432  25.658  2.8470  -0.6197014     4.094865 
1 1 1 -7  16  19 o 90.124  2.3426  1098.09   56.549    1098.44   79.865    1097.74   80.079    90.139  3.3079  90.108  3.3179  0.3120422E-01  4.685177 
1 1 1 -7  16  20 o 71.408  2.0951  689.021   40.072    682.064   56.541    696.041   56.800    71.044  2.9713  71.772  2.9546  -0.7278214     4.190279 
1 1 1 -7  16  21 o 32.071  1.9681  140.236   16.666    155.406   23.720    125.444   23.422    33.826  2.6390  30.317  2.9205  3.508741       3.936183 
1 1 1 -7  16  22 o 62.495  2.0630  528.939   34.534    528.329   48.776    529.552   48.900    62.460  2.9155  62.531  2.9196  -0.7128525E-01 4.126063 
1 1 1 -7  16  23 o 26.981  2.1997  100.999   15.183    127.358   21.810    76.214    21.149    30.558  2.6921  23.404  3.4795  7.154165       4.399341 
1 1 1 -7  16  24 o 30.330  2.0915  126.115   16.724    114.324   23.319    138.602   23.997    28.831  3.0668  31.829  2.8448  -2.997763      4.183067 
1 1 1 -7  16  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  16  26 o 23.734  2.3569  78.819    14.559    82.238    20.651    75.439    20.530    24.277  3.2580  23.191  3.4065  1.085436       4.713737 
1 1 1 -7  16  27 o 42.857  2.0612  252.902   23.519    250.878   33.046    254.980   33.481    42.685  2.9077  43.028  2.9224  -0.3430748     4.122464 
1 1 1 -7  16  28 o 42.465  2.0907  249.665   23.619    251.344   32.929    247.886   33.895    42.638  2.9006  42.292  3.0119  0.3466835      4.181487 
1 1 1 -7  16  29 o 15.831  2.8493  37.017    12.118    38.460    17.044    35.541    17.233    16.152  3.9682  15.509  4.0898  0.6429110      5.698533 
1 1 1 -7  16  30 o 18.287  2.7688  49.567    13.170    56.046    18.521    42.941    18.730    19.617  3.6595  16.956  4.1562  2.661242       5.537673 
1 1 1 -7  16  31 o 14.144  3.0169  29.110    12.769    19.574    17.802    39.213    18.325    12.143  4.3336  16.144  4.1983  -4.001804      6.033716 
1 1 1 -7  16  32 o 12.195  3.0353  19.774    12.465    25.622    17.976    14.358    17.300    13.283  4.3666  11.108  4.2172  2.174898       6.070564 
1 1 1 -7  16  33 o 16.982  3.2342  44.105    15.281    33.047    20.763    57.169    22.569    14.714  4.6814  19.251  4.4639  -4.536473      6.468496 
1 1 1 -7  16  34 f 12.528  3.1259  22.429    13.214    27.156    18.468    17.469    18.916    13.391  4.4271  11.665  4.4143  1.725194       6.251810 
1 1 1 -7  17  1  o 190.507 4.5902  4865.41   221.803   4799.77   272.094   4995.42   382.933   188.827 5.3798  192.187 7.4389  -3.360916      9.180400 
1 1 1 -7  17  2  o 236.755 4.5556  7564.68   288.810   7349.40   407.944   7781.02   408.937   233.354 6.5268  240.156 6.3573  -6.802002      9.111214 
1 1 1 -7  17  3  o 102.464 2.3963  1409.14   65.757    1382.93   92.923    1435.43   93.067    101.507 3.4177  103.420 3.3597  -1.912430      4.792547 
1 1 1 -7  17  4  o 108.131 2.5260  1569.68   73.159    1571.41   103.538   1567.95   103.386   108.190 3.5729  108.071 3.5716  0.1192627      5.051931 
1 1 1 -7  17  5  o 140.921 2.9958  2669.80   113.018   2571.15   159.915   2768.26   159.749   138.309 4.3167  143.532 4.1553  -5.222504      5.991657 
1 1 1 -7  17  6  o 179.214 3.6004  4323.14   172.826   4355.76   244.791   4290.71   244.037   179.890 5.0804  178.538 5.1031  1.352295       7.200893 
1 1 1 -7  17  7  o 122.577 2.7484  2018.25   90.232    2039.52   127.953   1997.21   127.265   123.221 3.8768  121.934 3.8967  1.286514       5.496706 
1 1 1 -7  17  8  o 175.065 3.5450  4125.99   166.211   4201.92   235.452   4050.55   234.666   176.678 4.9754  173.453 5.0510  3.225067       7.089993 
1 1 1 -7  17  9  o 131.221 2.8759  2314.85   101.060   2267.37   143.132   2362.05   142.709   129.873 4.1146  132.569 4.0190  -2.695206      5.751747 
1 1 1 -7  17  10 o 60.384  1.9758  489.224   31.954    490.374   45.470    488.101   44.915    60.453  2.8081  60.314  2.7803  0.1390877      3.951626 
1 1 1 -7  17  11 f 165.111 3.3867  3673.91   149.773   3686.77   212.095   3661.12   211.530   165.400 4.7875  164.823 4.7914  0.5773468      6.773301 
1 1 1 -7  17  12 o 117.159 2.6635  1846.71   83.562    1902.33   118.525   1791.74   117.826   118.919 3.7211  115.398 3.8120  3.520790       5.327081 
1 1 1 -7  17  13 o 137.455 2.9739  2547.44   109.467   2613.11   155.061   2482.19   154.560   139.231 4.1579  135.678 4.2530  3.553009       5.947820 
1 1 1 -7  17  14 o 56.732  2.3715  431.144   34.406    447.173   57.901    422.395   42.778    57.478  3.7820  55.985  2.8623  1.493031       4.743047 
1 1 1 -7  17  15 o 70.244  4.4853  670.560   83.950    670.560   83.950    0.0000    0.0000    70.244  4.4853  ?       ?       ?              ?        
1 1 1 -7  17  16 f 32.966  1.9044  147.171   16.646    157.114   23.759    137.584   23.330    34.076  2.6233  31.855  2.7616  2.220470       3.808895 
1 1 1 -7  17  17 o 46.872  1.9433  297.051   24.282    289.923   34.428    304.106   34.253    46.304  2.7889  47.440  2.7069  -1.135891      3.886504 
1 1 1 -7  17  18 o 50.029  1.9794  338.941   26.359    366.900   37.488    311.603   37.069    52.096  2.6958  47.962  2.8991  4.133915       3.958816 
1 1 1 -7  17  19 o 28.391  2.0249  110.072   15.109    123.359   21.618    97.383    21.125    30.111  2.7095  26.670  3.0098  3.440557       4.049727 
1 1 1 -7  17  20 o 22.949  2.2210  72.882    13.216    64.814    18.687    80.957    18.695    21.610  3.3359  24.288  2.9331  -2.678055      4.441994 
1 1 1 -7  17  21 o 71.579  2.1497  694.876   41.216    695.333   58.221    694.417   58.354    71.604  3.0357  71.554  3.0447  0.4981995E-01  4.299479 
1 1 1 -7  17  22 o 38.108  1.9916  198.010   20.159    186.419   28.419    209.750   28.601    36.961  2.8937  39.255  2.7373  -2.294243      3.983251 
1 1 1 -7  17  23 f 25.462  2.2580  90.477    14.658    113.870   21.037    68.402    20.435    28.838  2.7571  22.087  3.5766  6.751129       4.515915 
1 1 1 -7  17  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  17  25 o 64.067  2.1352  562.045   36.639    563.168   51.645    560.907   51.988    64.138  3.0063  63.997  3.0329  0.1412964      4.270367 
1 1 1 -7  17  26 o 41.112  2.0913  233.176   22.869    239.854   32.486    226.615   32.198    41.711  2.9263  40.513  2.9883  1.197838       4.182504 
1 1 1 -7  17  27 o 29.836  2.1980  124.361   17.299    120.246   24.446    128.488   24.483    29.315  3.1635  30.357  3.0524  -1.041742      4.396058 
1 1 1 -7  17  28 o 33.228  2.2059  154.860   19.387    160.189   27.299    149.437   27.537    33.844  3.0440  32.611  3.1936  1.233006       4.411878 
1 1 1 -7  17  29 o 21.666  2.6829  68.583    14.979    72.005    20.916    64.980    21.461    22.308  3.6250  21.025  3.9560  1.282877       5.365732 
1 1 1 -7  17  30 o 19.324  2.8937  56.477    14.558    69.184    20.327    43.096    20.860    21.823  3.6034  16.825  4.5287  4.997450       5.787359 
1 1 1 -7  17  31 o 30.529  2.3347  133.257   18.750    139.675   26.296    126.620   26.742    31.354  3.1749  29.703  3.4240  1.651163       4.669452 
1 1 1 -7  17  32 o 18.139  3.1207  50.758    15.017    51.926    21.363    49.618    21.113    18.354  4.4022  17.925  4.4244  0.4292336      6.241322 
1 1 1 -7  17  33 o 6.9482  2.3102  -14.0437  11.014    -11.6090  15.754    -16.3714  15.405    7.2067  3.3551  6.6896  3.1765  0.5170712      4.620331 
1 1 1 -7  18  1  o 151.487 3.1422  3085.43   127.488   3114.40   179.899   3056.20   180.695   152.205 4.4128  150.768 4.4745  1.436981       6.284415 
1 1 1 -7  18  2  o 174.712 3.5546  4108.75   166.305   3998.56   234.765   4219.75   235.618   172.350 5.0855  177.073 4.9678  -4.723602      7.109254 
1 1 1 -7  18  3  o 176.746 3.5845  4205.46   169.671   4121.20   239.742   4290.02   240.160   174.964 5.1157  178.529 5.0223  -3.564438      7.168963 
1 1 1 -7  18  4  o 140.365 3.0068  2648.23   113.044   2658.09   159.918   2638.39   159.820   140.627 4.2456  140.103 4.2589  0.5237274      6.013591 
1 1 1 -7  18  5  o 219.199 4.3182  6484.34   253.523   6427.71   358.664   6540.88   358.407   218.234 6.1359  220.163 6.0777  -1.928787      8.636418 
1 1 1 -7  18  6  o 115.833 2.6222  1802.54   81.339    1764.58   115.266   1840.19   114.797   114.614 3.7547  117.052 3.6615  -2.438187      5.244456 
1 1 1 -7  18  7  o 127.181 2.8000  2174.18   95.372    2141.85   135.114   2206.28   134.640   126.235 3.9961  128.128 3.9232  -1.893135      5.599993 
1 1 1 -7  18  8  o 103.364 2.4818  1435.56   68.694    1402.65   97.374    1468.16   96.925    102.180 3.5578  104.548 3.4612  -2.367889      4.963687 
1 1 1 -7  18  9  o 93.107  2.3741  1164.64   59.171    1218.83   84.113    1111.54   83.254    95.256  3.2967  90.957  3.4173  4.299423       4.748260 
1 1 1 -7  18  10 o 122.013 2.7430  2003.24   89.644    2013.79   127.130   1992.81   126.424   122.333 3.8799  121.694 3.8786  0.6386719      5.486051 
1 1 1 -7  18  11 o 114.717 2.6194  1771.62   80.473    1742.77   114.082   1800.20   113.533   113.781 3.7434  115.652 3.6650  -1.871719      5.238804 
1 1 1 -7  18  12 o 40.652  1.9892  223.168   21.521    220.498   30.623    225.773   30.252    40.406  2.8477  40.897  2.7782  -0.4909172     3.978391 
1 1 1 -7  18  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  18  14 o 87.891  2.2763  1041.25   53.575    1018.39   75.875    1063.98   75.660    86.922  3.2589  88.860  3.1788  -1.938080      4.552555 
1 1 1 -7  18  15 o 11.895  2.5095  19.056    8.8639    25.408    12.471    12.571    12.601    13.461  3.4447  10.329  3.6502  3.132289       5.018979 
1 1 1 -7  18  16 o 29.581  1.9802  119.293   15.293    143.236   22.042    97.069    21.236    32.513  2.5515  26.649  3.0289  5.864706       3.960378 
1 1 1 -7  18  17 o 87.317  2.3197  1032.29   54.249    1019.83   76.786    1044.71   76.653    86.785  3.3033  87.850  3.2576  -1.065338      4.639390 
1 1 1 -7  18  18 o 36.852  1.9895  184.739   19.470    177.050   27.666    192.285   27.405    36.073  2.8875  37.631  2.7377  -1.558121      3.979024 
1 1 1 -7  18  19 o 25.856  2.1313  91.679    14.355    106.850   20.779    77.827    19.854    27.967  2.8119  23.744  3.2036  4.222980       4.262619 
1 1 1 -7  18  20 o 65.884  2.1133  588.791   37.291    594.620   52.806    582.992   52.670    66.212  2.9775  65.555  2.9996  0.6567535      4.226502 
1 1 1 -7  18  21 o 53.739  2.0251  393.145   29.025    377.473   41.038    408.831   41.056    52.647  2.9217  54.832  2.8049  -2.184517      4.050128 
1 1 1 -7  18  22 o 29.354  2.1688  118.679   16.671    136.463   23.984    102.054   23.190    31.554  2.8691  27.154  3.2531  4.399706       4.337577 
1 1 1 -7  18  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  18  24 o 39.484  2.0579  214.558   21.584    202.810   30.518    226.315   30.530    38.367  2.9933  40.601  2.8250  -2.234341      4.115896 
1 1 1 -7  18  25 o 78.507  2.3244  852.424   48.872    863.303   68.962    841.447   69.270    79.033  3.2577  77.982  3.3164  1.050774       4.648772 
1 1 1 -7  18  26 o 25.540  2.3096  92.131    15.337    81.312    21.579    103.175   21.802    23.920  3.4692  27.159  3.0497  -3.238762      4.619131 
1 1 1 -7  18  27 o 13.460  2.9562  25.938    11.910    31.543    17.057    20.605    16.638    14.622  4.1580  12.299  4.2034  2.322704       5.912452 
1 1 1 -7  18  28 o 10.028  2.7079  8.2118    10.868    19.412    15.459    -2.7358   15.283    11.901  4.0517  8.1548  3.5937  3.745839       5.415818 
1 1 1 -7  18  29 o 37.173  2.2323  195.262   21.992    204.399   31.064    186.083   31.138    38.102  3.0698  36.244  3.2417  1.858307       4.464567 
1 1 1 -7  18  30 o 16.104  3.0520  39.114    14.171    55.830    20.180    22.850    19.904    19.319  4.0303  12.889  4.5842  6.429727       6.103941 
1 1 1 -7  18  31 o 13.941  3.1780  29.284    13.502    30.279    18.610    28.179    19.619    14.134  4.4238  13.748  4.5638  0.3852606      6.355988 
1 1 1 -7  18  32 o 8.7250  2.5725  -4.2517   11.386    -22.6663  15.690    16.237    16.550    6.2920  3.0438  11.158  4.1481  -4.866045      5.145030 
1 1 1 -7  19  1  o 118.792 2.6727  1895.47   85.008    1826.47   119.648   1965.80   120.798   116.604 3.8309  120.980 3.7278  -4.375648      5.345336 
1 1 1 -7  19  2  o 96.849  2.3550  1259.04   61.070    1215.44   85.934    1303.54   86.806    95.152  3.3718  98.546  3.2887  -3.393753      4.710018 
1 1 1 -7  19  3  o 105.204 2.4441  1486.13   68.855    1442.62   97.072    1530.19   97.683    103.651 3.4965  106.757 3.4161  -3.105934      4.888270 
1 1 1 -7  19  4  o 52.879  1.9477  376.129   27.491    377.193   38.921    375.069   38.835    52.954  2.7536  52.804  2.7553  0.1499023      3.895400 
1 1 1 -7  19  5  o 81.183  2.2214  885.000   48.263    930.709   68.481    839.894   68.029    83.270  3.0704  79.095  3.2111  4.175194       4.442804 
1 1 1 -7  19  6  f 164.667 3.3498  3652.50   147.745   3634.89   209.133   3670.04   208.754   164.268 4.7532  165.067 4.7216  -0.7988281     6.699674 
1 1 1 -7  19  7  o 84.623  2.2253  962.045   50.423    936.508   71.470    987.353   71.149    83.501  3.1955  85.745  3.0979  -2.244263      4.450659 
1 1 1 -7  19  8  o 119.579 2.6918  1923.99   86.212    1951.27   122.297   1897.04   121.552   120.424 3.7915  118.735 3.8221  1.689728       5.383639 
1 1 1 -7  19  9  o 124.126 2.7958  2076.29   92.906    2006.47   131.613   2145.65   131.165   122.032 4.0266  126.220 3.8797  -4.188469      5.591561 
1 1 1 -7  19  10 o 134.965 2.9774  2458.21   107.601   2540.40   152.727   2377.21   151.619   137.219 4.1554  132.712 4.2654  4.506607       5.954893 
1 1 1 -7  19  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  19  12 o 110.428 2.6089  1646.16   77.162    1670.69   109.491   1621.96   108.760   111.249 3.6744  109.607 3.7046  1.641541       5.217805 
1 1 1 -7  19  13 o 78.066  2.2058  822.458   46.073    782.141   65.355    862.289   64.960    76.148  3.2043  79.984  3.0322  -3.836189      4.411502 
1 1 1 -7  19  14 o 91.288  2.3742  1126.47   58.029    1167.71   82.428    1085.95   81.708    92.956  3.3106  89.620  3.4039  3.336037       4.748341 
1 1 1 -7  19  15 o 27.450  2.0533  102.942   14.847    100.526   21.387    105.189   20.627    27.120  2.9941  27.781  2.8107  -0.6613922     4.106683 
1 1 1 -7  19  16 o 59.108  2.0405  472.798   32.220    498.857   45.872    447.423   45.266    60.766  2.8184  57.450  2.9516  3.315292       4.081092 
1 1 1 -7  19  17 o 99.866  2.5015  1356.32   66.912    1367.48   94.818    1345.25   94.438    100.278 3.5302  99.453  3.5452  0.8247070      5.003053 
1 1 1 -7  19  18 o 56.298  2.0388  430.056   30.669    415.856   43.502    444.088   43.243    55.321  2.9465  57.274  2.8188  -1.953373      4.077639 
1 1 1 -7  19  19 o 53.139  2.0135  383.575   28.539    413.442   40.645    354.529   40.082    55.245  2.7468  51.033  2.9448  4.211800       4.026987 
1 1 1 -7  19  20 o 50.939  2.0198  353.511   27.445    349.314   38.912    357.666   38.715    50.630  2.8813  51.249  2.8314  -0.6186066     4.039615 
1 1 1 -7  19  21 o 16.168  3.7767  37.387    16.060    0.0000    0.0000    37.387    16.060    ?       ?       16.168  3.7767  ?              ?        
1 1 1 -7  19  22 o 64.363  2.1659  566.914   37.338    571.893   52.842    561.950   52.766    64.650  3.0516  64.075  3.0745  0.5746994      4.331820 
1 1 1 -7  19  23 o 55.128  2.1123  417.989   31.073    423.232   44.051    412.797   43.837    55.479  2.9753  54.777  2.9992  0.7014809      4.224631 
1 1 1 -7  19  24 o 34.678  2.1875  167.165   20.098    163.704   28.534    170.573   28.314    34.300  3.1407  35.056  3.0458  -0.7558746     4.375020 
1 1 1 -7  19  25 o 43.274  2.1189  260.822   24.314    284.671   34.328    236.816   34.442    45.351  2.8404  41.196  3.1451  4.154537       4.237838 
1 1 1 -7  19  26 o 21.446  2.6401  66.746    14.609    66.326    20.923    67.145    20.406    21.351  3.7978  21.540  3.6685  -0.1885147     5.280231 
1 1 1 -7  19  27 o 10.808  2.8342  13.726    10.956    17.122    15.895    10.652    15.123    11.477  4.0950  10.139  3.9193  1.337965       5.668339 
1 1 1 -7  19  28 o 8.8685  2.5954  1.7386    10.498    11.769    15.410    -6.9476   14.340    10.370  3.9697  7.3671  3.3446  3.002731       5.190890 
1 1 1 -7  19  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  19  30 f 7.4431  2.3803  -7.7691   10.479    0.3234    14.463    -16.7104  15.203    8.2528  3.5682  6.6334  3.1515  1.619431       4.760672 
1 1 1 -7  19  31 o 21.749  2.8477  72.451    15.954    78.391    22.475    66.418    22.651    22.804  3.8144  20.693  4.2295  2.110693       5.695443 
1 1 1 -7  20  1  o 61.987  1.9694  515.406   32.684    494.942   45.873    536.505   46.579    60.736  2.8198  63.238  2.7499  -2.501633      3.938717 
1 1 1 -7  20  2  o 127.586 2.8069  2188.33   95.917    2159.39   135.272   2217.59   136.024   126.735 3.9849  128.436 3.9540  -1.700508      5.613745 
1 1 1 -7  20  3  o 27.058  2.0343  99.218    14.429    86.281    19.953    113.399   20.891    25.173  3.0195  28.943  2.7269  -3.770123      4.068613 
1 1 1 -7  20  4  o 121.259 2.7210  1977.34   88.371    1951.34   124.822   2003.46   125.129   120.457 3.8687  122.060 3.8273  -1.603348      5.442019 
1 1 1 -7  20  5  o 73.171  2.1079  719.074   41.305    705.532   58.461    732.572   58.367    72.481  3.0113  73.861  2.9503  -1.380020      4.215722 
1 1 1 -7  20  6  o 98.196  2.4406  1296.86   64.182    1273.93   90.884    1319.67   90.651    97.326  3.4864  99.066  3.4163  -1.739853      4.881175 
1 1 1 -7  20  7  o 215.826 4.2787  6328.06   247.336   6275.29   350.046   6380.66   349.527   214.913 6.0810  216.740 6.0208  -1.827347      8.557351 
1 1 1 -7  20  8  o 101.542 2.4564  1388.23   66.805    1409.34   94.768    1367.38   94.187    102.311 3.4582  100.772 3.4895  1.539391       4.912810 
1 1 1 -7  20  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  20  10 o 108.706 2.5643  1594.88   74.662    1613.19   105.884   1576.78   105.294   109.329 3.6158  108.083 3.6371  1.245979       5.128620 
1 1 1 -7  20  11 o 74.809  2.1815  754.458   43.710    752.737   62.143    756.143   61.492    74.721  3.1050  74.897  3.0652  -0.1751556     4.363098 
1 1 1 -7  20  12 o 52.272  1.9960  369.397   27.837    366.300   39.658    372.405   39.082    52.049  2.8556  52.494  2.7896  -0.4445686     3.991996 
1 1 1 -7  20  13 o 17.442  2.4913  42.653    11.234    43.146    16.128    42.187    15.658    17.537  3.5553  17.347  3.4908  0.1897469      4.982534 
1 1 1 -7  20  14 o 35.409  1.9743  170.303   18.569    175.052   26.461    165.696   26.065    35.901  2.7732  34.916  2.8109  0.9848175      3.948653 
1 1 1 -7  20  15 o 44.044  1.9705  263.427   23.107    253.716   32.851    272.936   32.508    43.222  2.8537  44.865  2.7180  -1.642220      3.940937 
1 1 1 -7  20  16 f 88.879  2.3762  1074.11   56.495    1142.61   80.293    1006.95   79.506    91.722  3.2682  86.036  3.4501  5.685410       4.752317 
1 1 1 -7  20  17 o 44.106  2.0087  264.831   23.586    255.836   33.560    273.611   33.155    43.346  2.9074  44.866  2.7725  -1.519550      4.017470 
1 1 1 -7  20  18 o 36.925  2.0785  187.641   20.153    157.855   28.589    217.062   28.413    33.909  3.1850  39.940  2.6713  -6.030422      4.156917 
1 1 1 -7  20  19 o 10.252  2.6540  11.613    9.6787    6.8924    14.406    15.496    13.067    9.5181  3.7813  10.985  3.7253  -1.467307      5.308068 
1 1 1 -7  20  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  20  21 o 7.8704  2.3911  -0.3669   9.0559    -1.2997   13.400    0.4172    12.286    7.9106  3.4274  7.8303  3.3351  0.8034706E-01  4.782251 
1 1 1 -7  20  22 o 15.612  2.9192  35.520    12.385    34.259    18.153    36.617    16.940    15.351  4.2631  15.873  3.9892  -0.5217152     5.838418 
1 1 1 -7  20  23 o 24.365  2.5163  84.435    15.589    107.458   22.716    63.940    21.433    27.721  3.1131  21.008  3.9541  6.713673       5.032529 
1 1 1 -7  20  24 o 31.338  2.1969  137.768   18.171    131.596   25.880    143.770   25.519    30.595  3.2057  32.081  3.0048  -1.485853      4.393763 
1 1 1 -7  20  25 o 17.179  2.9658  43.858    13.616    52.548    19.733    35.959    18.813    18.846  4.0311  15.512  4.3513  3.334589       5.931562 
1 1 1 -7  20  26 o 19.117  2.8105  54.113    13.908    55.132    20.192    53.194    19.184    19.263  4.0424  18.971  3.9056  0.2921677      5.620955 
1 1 1 -7  20  27 o 7.7189  2.4566  -5.9480   10.722    -9.9670   15.838    -2.5483   14.567    7.4791  3.4402  7.9586  3.5078  -0.4794731     4.913192 
1 1 1 -7  20  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  20  29 o 9.6732  2.8010  6.5512    11.652    11.658    16.964    1.9901    16.032    10.492  4.1238  8.8547  3.7916  1.636992       5.601901 
1 1 1 -7  20  30 o 29.792  2.5036  131.371   19.561    138.661   27.845    124.267   27.486    30.687  3.4473  28.896  3.6315  1.790667       5.007109 
1 1 1 -7  21  1  o 66.927  2.0218  601.248   36.241    595.554   50.920    607.093   51.591    66.607  2.8542  67.248  2.8642  -0.6416092     4.043525 
1 1 1 -7  21  2  o 96.360  2.4024  1248.08   62.003    1255.59   87.392    1240.47   87.982    96.653  3.3757  96.066  3.4193  0.5879059      4.804895 
1 1 1 -7  21  3  o 168.509 3.5069  3835.36   158.272   3878.73   223.603   3791.80   224.058   169.473 4.9259  167.544 4.9928  1.928894       7.013737 
1 1 1 -7  21  4  o 59.359  2.0235  474.700   32.043    508.952   45.246    440.237   45.386    61.558  2.7442  57.161  2.9746  4.397148       4.047091 
1 1 1 -7  21  5  o 148.136 3.1461  2963.86   124.810   2896.88   176.395   3031.02   176.620   146.447 4.4969  149.826 4.4011  -3.379181      6.292259 
1 1 1 -7  21  6  o 54.344  2.0052  398.103   29.086    395.625   41.116    400.585   41.151    54.173  2.8435  54.515  2.8279  -0.3414268     4.010313 
1 1 1 -7  21  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  21  8  o 163.079 3.4576  3615.16   150.943   3765.57   213.975   3466.18   212.961   166.500 4.7980  159.657 4.9799  6.842712       6.915221 
1 1 1 -7  21  9  o 88.923  2.3223  1067.10   55.300    1097.00   78.520    1037.68   77.897    90.166  3.2512  87.681  3.3169  2.484879       4.644562 
1 1 1 -7  21  10 o 77.562  2.2134  812.131   45.981    817.763   65.363    806.614   64.696    77.827  3.1356  77.297  3.1248  0.5302124      4.426778 
1 1 1 -7  21  11 o 25.389  2.1884  89.486    14.162    67.492    19.896    112.077   20.164    22.064  3.4821  28.714  2.6517  -6.649931      4.376823 
1 1 1 -7  21  12 o 55.173  2.0367  413.139   29.902    371.920   42.392    453.953   42.183    52.355  3.0361  57.992  2.7157  -5.637024      4.073427 
1 1 1 -7  21  13 o 56.843  2.0398  437.664   30.995    432.553   44.098    442.655   43.574    56.470  2.9255  57.216  2.8433  -0.7456055     4.079581 
1 1 1 -7  21  14 o 17.064  2.5774  41.367    11.593    58.356    16.722    25.647    16.086    20.515  3.1434  13.613  4.0855  6.901966       5.154788 
1 1 1 -7  21  15 o 73.259  2.2055  728.663   43.256    758.818   61.563    699.260   60.791    74.770  3.0740  71.747  3.1633  3.022415       4.410905 
1 1 1 -7  21  16 o 46.054  2.0375  288.811   24.989    303.457   35.625    274.625   35.060    47.221  2.8297  44.887  2.9322  2.334229       4.074924 
1 1 1 -7  21  17 o 57.755  2.0857  454.357   32.197    447.057   45.838    461.466   45.235    57.244  3.0000  58.266  2.8985  -1.021221      4.171488 
1 1 1 -7  21  18 o 58.923  2.5032  473.694   37.851    495.813   63.213    461.329   47.261    59.776  3.9707  58.070  3.0492  1.706116       5.006405 
1 1 1 -7  21  19 o 6.9355  2.1624  -6.8106   8.4566    -18.0666  12.207    3.5750    11.726    5.6661  2.7270  8.2048  3.3568  -2.538659      4.324898 
1 1 1 -7  21  20 o 30.807  2.2669  132.033   18.271    152.575   26.242    112.704   25.455    33.234  2.9797  28.381  3.4172  4.852114       4.533852 
1 1 1 -7  21  21 o 36.575  2.1742  185.544   21.098    190.638   30.122    180.638   29.559    37.077  3.0605  36.073  3.0891  1.003216       4.348485 
1 1 1 -7  21  22 o 18.653  2.7254  50.853    13.245    69.212    19.185    34.132    18.310    22.073  3.3502  15.233  4.2997  6.840253       5.450805 
1 1 1 -7  21  23 o 32.443  2.2584  148.532   19.254    132.691   27.313    164.182   27.147    30.607  3.3885  34.279  2.9865  -3.671440      4.516801 
1 1 1 -7  21  24 o 22.932  2.6184  76.288    15.512    71.076    21.839    81.594    22.036    22.065  3.8344  23.799  3.5667  -1.734215      5.236798 
1 1 1 -7  21  25 o 40.722  2.2380  233.882   24.214    231.248   34.422    236.463   34.068    40.470  3.2017  40.974  3.1278  -0.5035248     4.475927 
1 1 1 -7  21  26 o 17.076  3.0388  44.111    13.950    50.717    20.078    37.946    19.396    18.348  4.1790  15.803  4.4129  2.544867       6.077662 
1 1 1 -7  21  27 o 19.259  4.4231  56.962    22.335    56.962    22.335    0.0000    0.0000    19.259  4.4231  ?       ?       ?              ?        
1 1 1 -7  21  28 o 10.179  2.8502  7.1176    12.356    20.617    17.820    -5.3834   17.148    12.140  4.3355  8.2184  3.7011  3.922118       5.700389 
1 1 1 -7  22  1  o 47.246  1.9233  300.801   24.235    297.054   34.149    304.602   34.400    46.948  2.7274  47.544  2.7125  -0.5963058     3.846643 
1 1 1 -7  22  2  o 135.501 2.9377  2477.43   106.586   2393.69   150.160   2562.46   151.316   133.180 4.2095  137.822 4.0990  -4.642319      5.875488 
1 1 1 -7  22  3  o 75.848  2.1647  773.921   43.977    776.039   62.065    771.785   62.321    75.954  3.0508  75.743  3.0719  0.2107544      4.329379 
1 1 1 -7  22  4  f 57.420  4.2537  448.149   64.956    0.0000    0.0000    448.149   64.956    ?       ?       57.420  4.2537  ?              ?        
1 1 1 -7  22  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  22  6  o 96.103  2.4224  1246.91   62.326    1202.80   88.082    1291.14   88.204    94.387  3.4841  97.818  3.3665  -3.430656      4.844796 
1 1 1 -7  22  7  o 125.766 2.8841  2145.05   97.155    2147.01   137.584   2143.10   137.212   125.822 4.0825  125.710 4.0751  0.1118164      5.768254 
1 1 1 -7  22  8  o 35.886  1.9863  174.712   18.934    170.762   26.811    178.642   26.744    35.472  2.8458  36.299  2.7716  -0.8262100     3.972499 
1 1 1 -7  22  9  o 73.441  2.1871  729.110   43.021    724.659   61.015    733.510   60.670    73.214  3.1114  73.668  3.0747  -0.4538269     4.374280 
1 1 1 -7  22  10 o 41.253  1.9903  230.922   21.857    231.183   31.181    230.671   30.647    41.272  2.8379  41.235  2.7913  0.3712082E-01  3.980557 
1 1 1 -7  22  11 o 24.618  2.1560  83.279    13.907    86.026    19.753    80.580    19.582    25.035  3.0059  24.201  3.0916  0.8341827      4.311960 
1 1 1 -7  22  12 o 23.976  2.2075  79.278    13.806    85.460    19.636    73.234    19.415    24.941  2.9994  23.010  3.2397  1.931015       4.414986 
1 1 1 -7  22  13 o 15.755  2.6110  35.264    11.113    48.697    15.897    22.429    15.540    18.660  3.3016  12.851  4.0458  5.808314       5.221958 
1 1 1 -7  22  14 o 45.158  2.0227  277.734   24.333    273.906   34.672    281.450   34.157    44.840  2.9024  45.477  2.8180  -0.6373444     4.045407 
1 1 1 -7  22  15 o 69.865  2.2282  665.620   41.648    631.597   59.068    699.255   58.730    68.054  3.2405  71.676  3.0591  -3.622398      4.456343 
1 1 1 -7  22  16 o 29.167  2.2345  117.954   16.927    140.404   24.214    96.499    23.671    32.002  2.8548  26.332  3.4383  5.670300       4.468924 
1 1 1 -7  22  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  22  18 o 45.949  2.0982  290.273   25.683    289.547   36.552    290.982   36.095    45.883  2.9905  46.016  2.9440  -0.1327171     4.196460 
1 1 1 -7  22  19 o 45.081  2.1174  280.654   25.403    270.660   36.097    290.461   35.756    44.251  3.0644  45.911  2.9229  -1.660225      4.234818 
1 1 1 -7  22  20 o 20.961  2.6580  63.546    14.299    53.109    20.153    74.128    20.292    19.064  4.0705  22.858  3.4193  -3.794344      5.316065 
1 1 1 -7  22  21 o 13.103  2.9660  24.402    11.774    25.093    16.507    23.687    16.798    13.241  4.1699  12.964  4.2191  0.2777691      5.931996 
1 1 1 -7  22  22 o 6.1465  2.0249  -15.1815  8.7687    -30.5613  12.928    -2.0761   11.934    5.0218  2.4940  7.2713  3.1907  -2.249499      4.049801 
1 1 1 -7  22  23 o 7.8747  2.4358  -2.8260   9.8728    3.0269    14.521    -7.8571   13.463    8.7419  3.6697  7.0074  3.2042  1.734539       4.871669 
1 1 1 -7  22  24 o 23.568  2.6571  80.997    16.205    83.830    23.079    78.242    22.758    24.006  3.7088  23.130  3.8059  0.8760929      5.314149 
1 1 1 -7  22  25 o 18.571  4.4454  52.745    21.818    0.0000    0.0000    52.745    21.818    ?       ?       18.571  4.4454  ?              ?        
1 1 1 -7  22  26 o 16.649  3.0797  42.769    13.894    41.218    19.529    44.358    19.771    16.337  4.3753  16.961  4.3354  -0.6242428     6.159467 
1 1 1 -7  22  27 o 31.393  2.6896  147.806   21.207    193.677   30.546    105.120   29.466    36.678  3.1396  26.109  4.3679  10.56895       5.379136 
1 1 1 -7  23  1  o 20.163  2.7616  57.115    14.082    54.617    22.357    58.758    18.130    19.713  4.3508  20.613  3.4025  -0.9001446     5.523253 
1 1 1 -7  23  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  23  3  o 56.377  1.9983  428.458   30.126    426.423   42.480    430.517   42.730    56.206  2.8308  56.547  2.8212  -0.3404655     3.996554 
1 1 1 -7  23  4  o 103.119 2.4929  1437.27   68.854    1434.25   97.176    1440.31   97.573    103.011 3.5220  103.227 3.5290  -0.2154846     4.985785 
1 1 1 -7  23  5  o 89.795  2.3473  1089.87   56.444    1063.39   79.720    1116.49   79.929    88.692  3.3558  90.898  3.2829  -2.205566      4.694554 
1 1 1 -7  23  6  o 131.736 2.9820  2362.66   105.220   2376.00   148.900   2349.35   148.706   132.113 4.2079  131.360 4.2264  0.7521820      5.963979 
1 1 1 -7  23  7  o 24.903  2.1856  85.610    14.139    95.982    19.844    74.915    20.151    26.513  2.8385  23.292  3.3243  3.221090       4.371294 
1 1 1 -7  23  8  o 57.450  2.0467  446.810   31.441    444.421   44.572    449.177   44.357    57.257  2.9160  57.643  2.8729  -0.3858910     4.093478 
1 1 1 -7  23  9  o 53.325  2.0534  386.129   29.193    369.175   41.321    403.027   41.251    52.136  2.9713  54.514  2.8349  -2.378506      4.106727 
1 1 1 -7  23  10 o 39.764  2.0065  215.054   21.228    219.143   30.221    211.072   29.825    40.140  2.8290  39.387  2.8463  0.7532730      4.012999 
1 1 1 -7  23  11 o 22.473  2.3812  70.594    13.763    60.169    19.498    80.945    19.429    20.709  3.6484  24.237  3.0611  -3.527962      4.762478 
1 1 1 -7  23  12 o 76.736  2.2692  801.410   46.638    799.919   66.246    802.875   65.669    76.658  3.2263  76.813  3.1918  -0.1547241     4.538365 
1 1 1 -7  23  13 o 74.636  2.2448  759.263   44.831    802.291   63.721    717.089   63.086    76.760  3.0992  72.511  3.2482  4.248940       4.489519 
1 1 1 -7  23  14 o 75.028  2.2620  768.801   45.454    781.960   64.642    755.932   63.928    75.667  3.1895  74.389  3.2084  1.278580       4.524028 
1 1 1 -7  23  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  23  16 o 91.180  2.4814  1147.76   60.595    1133.64   85.907    1161.75   85.483    90.597  3.5402  91.762  3.4780  -1.164925      4.962766 
1 1 1 -7  23  17 o 32.176  2.2232  143.826   18.792    163.590   26.979    125.201   26.191    34.408  2.9561  29.944  3.3215  4.464354       4.446426 
1 1 1 -7  23  18 o 30.159  2.3724  127.692   18.671    147.569   26.841    109.055   25.990    32.551  3.1166  27.767  3.5777  4.784929       4.744833 
1 1 1 -7  23  19 o 42.376  2.2146  250.529   24.889    273.066   35.476    228.686   34.926    44.328  3.0057  40.423  3.2532  3.904613       4.429193 
1 1 1 -7  23  20 o 18.955  2.8920  53.798    14.413    36.782    20.332    70.985    20.434    15.693  4.5634  22.216  3.5538  -6.523399      5.783933 
1 1 1 -7  23  21 o 12.561  2.9102  20.312    11.929    33.688    17.710    9.2031    16.139    15.030  4.2238  10.092  4.0045  4.937170       5.820391 
1 1 1 -7  23  22 o 9.6175  2.5051  1.5431    10.504    24.450    15.328    -18.7441  14.424    12.958  4.0080  6.2773  3.0064  6.680424       5.010257 
1 1 1 -7  23  23 o 15.261  3.1116  35.352    13.687    27.005    19.856    42.910    18.894    13.664  4.5922  16.857  4.1999  -3.192846      6.223193 
1 1 1 -7  23  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  23  25 o 19.070  3.1065  56.286    15.536    53.081    21.480    59.801    22.497    18.484  4.4018  19.656  4.3846  -1.171614      6.212953 
1 1 1 -7  24  1  o 77.619  2.1743  812.583   45.191    785.058   63.329    841.141   64.507    76.276  3.0998  78.963  3.0500  -2.686974      4.348685 
1 1 1 -7  24  2  o 33.689  1.9333  154.044   17.285    158.083   24.293    149.902   24.600    34.149  2.6774  33.230  2.7897  0.9184837      3.866629 
1 1 1 -7  24  3  o 56.194  1.9990  426.730   30.027    433.407   42.233    419.904   42.699    56.682  2.7817  55.706  2.8715  0.9753189      3.997953 
1 1 1 -7  24  4  o 62.365  2.0546  525.596   34.301    545.769   48.518    505.437   48.501    63.572  2.8493  61.158  2.9608  2.414291       4.109145 
1 1 1 -7  24  5  o 88.573  2.3499  1063.73   55.748    1068.06   78.664    1059.35   79.016    88.759  3.3088  88.387  3.3376  0.3719177      4.699777 
1 1 1 -7  24  6  o 39.981  1.9695  217.105   20.959    215.368   29.525    218.870   29.759    39.819  2.7858  40.143  2.7849  -0.3242912     3.939056 
1 1 1 -7  24  7  o 38.989  1.9756  206.885   20.455    221.446   28.982    192.432   28.875    40.385  2.6948  37.594  2.8897  2.790710       3.951205 
1 1 1 -7  24  8  o 16.727  2.6155  39.700    11.421    35.574    16.189    43.789    16.116    15.826  3.8547  17.628  3.5362  -1.801875      5.231050 
1 1 1 -7  24  9  o 54.158  2.0668  398.750   29.847    430.672   42.422    367.460   42.000    56.376  2.8094  51.940  3.0321  4.435848       4.133550 
1 1 1 -7  24  10 o 49.114  2.0867  328.837   27.291    348.378   38.770    309.645   38.423    50.588  2.8732  47.640  3.0268  2.947430       4.173367 
1 1 1 -7  24  11 o 25.407  2.2715  89.410    15.091    94.206    21.345    84.616    21.338    26.124  3.1117  24.691  3.3099  1.433258       4.542902 
1 1 1 -7  24  12 f 52.968  2.1134  383.491   29.859    382.348   42.410    384.613   42.046    52.883  3.0065  53.052  2.9709  -0.1697235     4.226721 
1 1 1 -7  24  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  24  14 o 26.692  2.3168  99.393    16.176    92.341    22.840    106.490   22.913    25.688  3.4033  27.696  3.1444  -2.008257      4.633556 
1 1 1 -7  24  15 o 14.789  3.0166  31.529    12.650    34.761    17.912    28.313    17.868    15.470  4.2102  14.109  4.3214  1.361006       6.033244 
1 1 1 -7  24  16 o 33.050  2.3060  153.982   19.710    121.091   27.774    187.355   27.976    29.274  3.6192  36.826  2.8587  -7.551914      4.611973 
1 1 1 -7  24  17 o 42.652  2.2248  253.819   25.192    238.725   35.746    268.712   35.507    41.326  3.2558  43.977  3.0329  -2.651398      4.449564 
1 1 1 -7  24  18 o 20.074  2.8651  60.089    14.886    42.011    20.984    78.400    21.119    16.732  4.5584  23.417  3.4723  -6.685186      5.730280 
1 1 1 -7  24  19 o 15.601  2.7933  34.684    13.408    61.832    19.208    8.8846    18.725    20.654  3.6031  10.549  4.2695  10.10443       5.586684 
1 1 1 -7  24  20 o 12.973  3.0675  23.332    12.906    15.015    18.397    31.392    18.111    11.427  4.3463  14.519  4.3299  -3.091475      6.135041 
1 1 1 -7  24  21 o 11.986  2.8449  16.100    12.209    -0.6602   16.855    34.601    17.709    8.7988  3.8280  15.172  4.2096  -6.373618      5.689866 
1 1 1 -7  24  22 o 19.440  3.8739  67.784    20.960    29.546    46.849    77.354    23.437    16.038  6.6504  22.842  3.9750  -6.804686      7.747860 
1 1 1 -7  24  23 o 9.9009  2.8492  3.7655    12.773    -10.0627  17.844    18.294    18.291    7.9619  3.6583  11.840  4.3689  -3.877967      5.698322 
1 1 1 -7  24  24 o 33.733  2.4633  166.415   21.913    158.639   30.924    174.257   31.055    32.865  3.5704  34.601  3.3946  -1.735374      4.926535 
1 1 1 -7  25  1  o 70.037  2.1001  663.262   39.392    668.674   55.489    657.764   55.930    70.330  2.9456  69.743  2.9940  0.5868683      4.200113 
1 1 1 -7  25  2  o 76.048  2.1530  783.167   43.839    801.207   61.679    764.748   62.322    76.947  2.9926  75.149  3.0962  1.798370       4.306071 
1 1 1 -7  25  3  o 40.523  1.9539  223.029   21.078    219.410   29.838    226.634   29.780    40.188  2.7891  40.858  2.7370  -0.6697235     3.907721 
1 1 1 -7  25  4  o 36.110  1.9979  177.521   19.168    174.729   27.082    180.324   27.133    35.820  2.8461  36.401  2.8045  -0.5808678     3.995736 
1 1 1 -7  25  5  o 77.071  2.2278  806.539   45.988    807.950   64.927    805.117   65.147    77.142  3.1423  77.001  3.1587  0.1408768      4.455514 
1 1 1 -7  25  6  o 16.058  2.5625  36.535    10.764    34.343    15.098    38.801    15.349    15.555  3.6811  16.560  3.5659  -1.005671      5.125048 
1 1 1 -7  25  7  o 53.833  2.0454  394.325   29.378    384.976   41.461    403.752   41.634    53.181  2.9219  54.484  2.8629  -1.302521      4.090703 
1 1 1 -7  25  8  o 54.067  2.0797  398.368   30.005    398.722   42.403    398.013   42.464    54.093  2.9376  54.042  2.9447  0.5045700E-01  4.159459 
1 1 1 -7  25  9  o 9.8807  2.6416  9.2745    9.7337    14.215    13.988    4.6368    13.553    10.846  3.8445  8.9158  3.6238  1.929849       5.283239 
1 1 1 -7  25  10 o 16.962  2.7187  41.223    12.079    44.694    17.058    37.732    17.106    17.709  3.7149  16.214  3.9705  1.494616       5.437360 
1 1 1 -7  25  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  25  12 o 8.4452  2.3013  -6.3819   9.4715    -28.7646  13.062    18.435    13.754    5.2014  2.5696  11.689  3.8184  -6.487610      4.602502 
1 1 1 -7  25  13 o 15.916  2.8392  36.454    12.254    46.061    17.839    27.870    16.862    17.862  3.8427  13.970  4.1806  3.892630       5.678362 
1 1 1 -7  25  14 f 19.718  2.8224  56.505    14.392    51.705    20.396    61.264    20.311    18.807  4.1592  20.629  3.8164  -1.822168      5.644801 
1 1 1 -7  25  15 o 11.961  2.7960  18.325    11.186    29.288    15.610    6.7525    16.038    14.176  3.9592  9.7469  3.9491  4.429020       5.591962 
1 1 1 -7  25  16 o 30.125  2.3081  127.985   18.322    130.295   25.870    125.661   25.952    30.418  3.2244  29.831  3.3033  0.5867634      4.616117 
1 1 1 -7  25  17 o 26.623  2.5831  102.810   17.541    80.840    24.693    125.188   24.921    23.464  4.0770  29.781  3.1731  -6.317232      5.166223 
1 1 1 -7  25  18 o 7.9757  2.3839  -5.4357   10.051    -23.2362  14.507    10.993    13.937    5.9717  2.8980  9.9798  3.7860  -4.008084      4.767858 
1 1 1 -7  25  19 o 9.8374  2.7061  2.5134    11.823    22.158    17.021    -15.8015  16.435    12.560  4.2517  7.1143  3.3489  5.446166       5.412221 
1 1 1 -7  25  20 o 22.091  2.9483  73.025    16.770    83.780    23.996    62.756    23.448    23.862  3.8884  20.319  4.4329  3.542065       5.896620 
1 1 1 -7  25  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  25  22 o 14.808  3.2055  33.500    14.181    42.919    20.507    24.868    19.631    16.548  4.5054  13.068  4.5609  3.480082       6.410903 
1 1 1 -7  26  1  o 40.179  2.8110  219.599   30.061    0.0000    0.0000    219.599   30.061    ?       ?       40.179  2.8110  ?              ?        
1 1 1 -7  26  2  o 32.821  2.8419  147.003   24.737    0.0000    0.0000    147.003   24.737    ?       ?       32.821  2.8419  ?              ?        
1 1 1 -7  26  3  o 41.606  2.7928  235.580   30.942    0.0000    0.0000    235.580   30.942    ?       ?       41.606  2.7928  ?              ?        
1 1 1 -7  26  4  o 38.616  2.8199  203.278   28.966    0.0000    0.0000    203.278   28.966    ?       ?       38.616  2.8199  ?              ?        
1 1 1 -7  26  5  o 28.087  2.2170  109.246   16.262    96.282    23.181    121.809   22.818    26.362  3.3593  29.813  2.8940  -3.451578      4.433961 
1 1 1 -7  26  6  o 28.476  2.1791  111.685   16.355    112.569   23.144    110.803   23.114    28.592  3.0701  28.359  3.0932  0.2333584      4.358149 
1 1 1 -7  26  7  o 15.117  2.6142  32.575    10.901    19.532    15.275    46.113    15.563    12.144  4.0268  18.089  3.3348  -5.945556      5.228411 
1 1 1 -7  26  8  f 38.098  2.0895  199.576   21.090    215.115   29.708    183.789   29.945    39.646  2.8159  36.550  3.0877  3.096554       4.178918 
1 1 1 -7  26  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  26  10 f 25.832  2.4692  94.569    16.321    113.920   23.133    75.391    23.029    28.665  3.0602  22.999  3.8761  5.666059       4.938495 
1 1 1 -7  26  11 o 61.706  2.2163  525.510   36.522    500.106   51.709    550.796   51.590    60.129  3.2224  63.284  3.0436  -3.155132      4.432513 
1 1 1 -7  26  12 o 9.5803  2.6923  5.7785    10.790    14.188    15.229    -2.6987   15.290    10.929  3.9935  8.2318  3.6119  2.696914       5.384659 
1 1 1 -7  26  13 o 45.673  2.1730  290.340   26.393    276.252   37.510    304.156   37.144    44.518  3.1663  46.827  2.9769  -2.308609      4.345982 
1 1 1 -7  26  14 f 34.717  2.2719  169.571   20.809    185.331   29.526    154.018   29.330    36.410  3.0558  33.024  3.3628  3.386364       4.543861 
1 1 1 -7  26  15 o 44.588  2.2450  279.404   26.562    303.511   37.763    255.796   37.369    46.585  3.0431  42.591  3.3015  3.993526       4.490040 
1 1 1 -7  26  16 o 13.342  3.1121  25.441    12.967    28.927    18.407    22.005    18.271    14.023  4.4012  12.660  4.4011  1.362412       6.224168 
1 1 1 -7  26  17 o 8.5408  2.5845  -0.6561   10.739    7.2552    15.824    -7.4116   14.623    9.6825  3.9227  7.3992  3.3662  2.283314       5.169056 
1 1 1 -7  26  18 o 7.5530  2.3754  -13.7994  10.762    7.2696    15.658    -32.6643  14.816    9.6335  3.9024  5.4725  2.7095  4.161036       4.750771 
1 1 1 -7  26  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  26  20 o 22.007  3.0711  74.446    17.438    68.389    25.025    80.162    24.313    20.959  4.5854  23.055  4.0868  -2.095985      6.142254 
1 1 1 -7  26  21 o 30.629  2.6101  139.449   20.841    155.088   29.572    124.015   29.378    32.542  3.4451  28.716  3.9220  3.825422       5.220215 
1 1 1 -7  27  1  o 34.850  2.8947  166.027   26.776    0.0000    0.0000    166.027   26.776    ?       ?       34.850  2.8947  ?              ?        
1 1 1 -7  27  2  o 44.138  2.8807  265.802   33.870    0.0000    0.0000    265.802   33.870    ?       ?       44.138  2.8807  ?              ?        
1 1 1 -7  27  3  o 22.099  3.3276  68.141    19.086    0.0000    0.0000    68.141    19.086    ?       ?       22.099  3.3276  ?              ?        
1 1 1 -7  27  4  o 14.222  3.9799  28.759    15.758    0.0000    0.0000    28.759    15.758    ?       ?       14.222  3.9799  ?              ?        
1 1 1 -7  27  5  o 52.712  2.9628  380.241   41.662    0.0000    0.0000    380.241   41.662    ?       ?       52.712  2.9628  ?              ?        
1 1 1 -7  27  6  o 24.440  3.3728  83.520    21.491    0.0000    0.0000    83.520    21.491    ?       ?       24.440  3.3728  ?              ?        
1 1 1 -7  27  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  27  8  o 59.449  3.1064  487.237   49.293    0.0000    0.0000    487.237   49.293    ?       ?       59.449  3.1064  ?              ?        
1 1 1 -7  27  9  o 26.760  3.4335  100.789   24.043    0.0000    0.0000    100.789   24.043    ?       ?       26.760  3.4335  ?              ?        
1 1 1 -7  27  10 o 41.340  3.0527  237.223   33.563    0.0000    0.0000    237.223   33.563    ?       ?       41.340  3.0527  ?              ?        
1 1 1 -7  27  11 o 32.133  3.2246  144.896   27.379    0.0000    0.0000    144.896   27.379    ?       ?       32.133  3.2246  ?              ?        
1 1 1 -7  27  12 o 36.248  3.1997  184.593   30.747    0.0000    0.0000    184.593   30.747    ?       ?       36.248  3.1997  ?              ?        
1 1 1 -7  27  13 o 23.952  3.7494  83.175    23.265    0.0000    0.0000    83.175    23.265    ?       ?       23.952  3.7494  ?              ?        
1 1 1 -7  27  14 o 41.929  3.1806  247.839   35.454    0.0000    0.0000    247.839   35.454    ?       ?       41.929  3.1806  ?              ?        
1 1 1 -7  27  15 o 38.562  3.2682  210.850   33.439    0.0000    0.0000    210.850   33.439    ?       ?       38.562  3.2682  ?              ?        
1 1 1 -7  27  16 o 11.778  4.3901  17.216    18.562    0.0000    0.0000    17.216    18.562    ?       ?       11.778  4.3901  ?              ?        
1 1 1 -7  27  17 o 13.364  4.6277  25.611    20.192    0.0000    0.0000    25.611    20.192    ?       ?       13.364  4.6277  ?              ?        
1 1 1 -7  27  18 o 31.600  3.6252  145.810   30.129    0.0000    0.0000    145.810   30.129    ?       ?       31.600  3.6252  ?              ?        
1 1 1 -7  27  19 o 8.1940  3.6241  -2.1953   15.682    0.0000    0.0000    -2.1953   15.682    ?       ?       8.1940  3.6241  ?              ?        
1 1 1 -7  28  1  o 7.4496  3.2934  -3.7190   12.937    -3.7190   12.937    0.0000    0.0000    7.4496  3.2934  ?       ?       ?              ?        
1 1 1 -7  28  2  o 24.000  3.2089  80.206    20.111    80.206    20.111    0.0000    0.0000    24.000  3.2089  ?       ?       ?              ?        
1 1 1 -7  28  3  o 35.200  2.9919  170.632   27.941    170.632   27.941    0.0000    0.0000    35.200  2.9919  ?       ?       ?              ?        
1 1 1 -7  28  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  28  5  o 27.871  3.3082  108.548   24.214    108.548   24.214    0.0000    0.0000    27.871  3.3082  ?       ?       ?              ?        
1 1 1 -7  28  6  o 16.766  4.8933  41.372    23.339    0.0000    0.0000    41.372    23.339    ?       ?       16.766  4.8933  ?              ?        
1 1 1 -7  28  7  o 28.886  4.3124  120.645   32.344    0.0000    0.0000    120.645   32.344    ?       ?       28.886  4.3124  ?              ?        
1 1 1 -7  28  8  o 23.452  3.8348  79.215    23.256    0.0000    0.0000    79.215    23.256    ?       ?       23.452  3.8348  ?              ?        
1 1 1 -7  28  9  o 26.651  3.3985  100.806   23.708    0.0000    0.0000    100.806   23.708    ?       ?       26.651  3.3985  ?              ?        
1 1 1 -7  28  10 o 13.013  4.3286  23.865    17.645    0.0000    0.0000    23.865    17.645    ?       ?       13.013  4.3286  ?              ?        
1 1 1 -7  28  11 o 23.731  3.7566  81.835    23.083    0.0000    0.0000    81.835    23.083    ?       ?       23.731  3.7566  ?              ?        
1 1 1 -7  28  12 o 26.482  3.6805  101.537   25.401    0.0000    0.0000    101.537   25.401    ?       ?       26.482  3.6805  ?              ?        
1 1 1 -7  28  13 o 16.243  4.4909  40.196    20.193    0.0000    0.0000    40.196    20.193    ?       ?       16.243  4.4909  ?              ?        
1 1 1 -7  28  14 o 16.289  4.5075  40.588    20.332    0.0000    0.0000    40.588    20.332    ?       ?       16.289  4.5075  ?              ?        
1 1 1 -7  28  15 o 9.3688  3.9332  4.2640    16.684    0.0000    0.0000    4.2640    16.684    ?       ?       9.3688  3.9332  ?              ?        
1 1 1 -7  28  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  28  17 o 22.930  4.3220  81.098    25.571    0.0000    0.0000    81.098    25.571    ?       ?       22.930  4.3220  ?              ?        
1 1 1 -7  29  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  29  2  o 23.036  3.4213  74.906    20.469    74.906    20.469    0.0000    0.0000    23.036  3.4213  ?       ?       ?              ?        
1 1 1 -7  29  3  o 29.422  3.2216  120.952   24.973    120.952   24.973    0.0000    0.0000    29.422  3.2216  ?       ?       ?              ?        
1 1 1 -7  29  4  o 14.620  4.1654  31.135    17.101    31.135    17.101    0.0000    0.0000    14.620  4.1654  ?       ?       ?              ?        
1 1 1 -7  29  5  o 10.697  4.0068  12.909    15.498    12.909    15.498    0.0000    0.0000    10.697  4.0068  ?       ?       ?              ?        
1 1 1 -7  29  6  o 27.163  3.3866  104.591   24.104    104.591   24.104    0.0000    0.0000    27.163  3.3866  ?       ?       ?              ?        
1 1 1 -7  29  7  o 20.924  3.9010  64.043    21.059    64.043    21.059    0.0000    0.0000    20.924  3.9010  ?       ?       ?              ?        
1 1 1 -7  29  8  o 18.871  4.0297  52.821    19.749    52.821    19.749    0.0000    0.0000    18.871  4.0297  ?       ?       ?              ?        
1 1 1 -7  29  9  o 9.3968  3.8898  5.1325    15.987    5.1325    15.987    0.0000    0.0000    9.3968  3.8898  ?       ?       ?              ?        
1 1 1 -7  29  10 o 15.070  4.3453  34.232    18.505    34.232    18.505    0.0000    0.0000    15.070  4.3453  ?       ?       ?              ?        
1 1 1 -7  29  11 o 18.775  4.2572  53.301    20.915    53.301    20.915    0.0000    0.0000    18.775  4.2572  ?       ?       ?              ?        
1 1 1 -7  29  12 o 15.065  4.5554  34.492    19.944    34.492    19.944    0.0000    0.0000    15.065  4.5554  ?       ?       ?              ?        
1 1 1 -7  29  13 o 7.6707  3.5441  -11.1559  17.080    -11.1559  17.080    0.0000    0.0000    7.6707  3.5441  ?       ?       ?              ?        
1 1 1 -7  29  14 o 14.675  4.6503  33.151    20.504    33.151    20.504    0.0000    0.0000    14.675  4.6503  ?       ?       ?              ?        
1 1 1 -7  29  15 o 16.658  4.5249  43.910    20.713    43.910    20.713    0.0000    0.0000    16.658  4.5249  ?       ?       ?              ?        
1 1 1 -7  30  1  o 15.089  2.9493  33.480    12.385    37.387    17.265    29.339    17.776    15.952  4.0372  14.226  4.3004  1.726662       5.898519 
1 1 1 -7  30  2  o 19.303  2.7914  55.500    13.933    68.158    19.316    41.772    20.116    21.858  3.4107  16.748  4.4199  5.110346       5.582854 
1 1 1 -7  30  3  o 12.586  2.9833  21.860    11.824    20.528    16.084    23.427    17.440    12.235  4.1331  12.937  4.3033  -0.7018948     5.966628 
1 1 1 -7  30  4  o 19.200  2.8383  57.692    14.621    86.347    20.195    26.128    21.195    24.706  3.1214  13.694  4.7413  11.01190       5.676588 
1 1 1 -7  30  5  o 14.273  3.0413  30.303    12.739    35.120    17.361    24.683    18.750    15.332  4.1334  13.214  4.4625  2.118184       6.082675 
1 1 1 -7  30  6  o 6.7629  2.2087  -9.3524   9.3315    -9.6315   12.682    -9.0230   13.779    6.5557  3.0378  6.9701  3.2071  -0.4144197     4.417401 
1 1 1 -7  30  7  o 35.019  2.2981  174.036   21.198    153.559   29.473    195.984   30.512    32.774  3.4072  37.264  3.0847  -4.490524      4.596142 
1 1 1 -7  30  8  o 21.551  2.8191  68.880    15.661    66.962    21.617    71.000    22.720    21.251  3.9430  21.852  4.0303  -0.6012726     5.638264 
1 1 1 -7  30  9  o 12.181  3.4184  16.396    16.017    21.952    18.350    -1.3779   32.818    12.578  4.4085  11.784  5.2257  0.7944336      6.836862 
1 1 1 -7  30  10 o 40.171  3.5497  255.805   31.578    266.641   37.010    226.805   60.547    43.301  3.2140  37.040  6.3302  6.260620       7.099422 
1 1 1 -7  30  11 o 20.163  6.6068  70.750    41.165    0.0000    0.0000    70.750    41.165    ?       ?       20.163  6.6068  ?              ?        
1 1 1 -7  30  12 o 18.127  4.1393  40.231    19.074    28.625    21.135    91.186    44.284    13.822  4.7374  22.431  6.7892  -8.608945      8.278644 
1 1 1 -7  30  13 f 10.412  3.2628  2.8757    15.791    7.0655    17.605    -14.3675  35.715    9.8322  4.0770  10.993  5.0952  -1.160455      6.525512 
1 1 1 -7  31  1  o 40.613  2.1765  231.527   23.481    219.660   32.837    243.944   33.591    39.513  3.1282  41.713  3.0271  -2.200397      4.353095 
1 1 1 -7  31  2  o 20.473  2.7494  62.268    14.456    75.739    20.520    48.995    20.369    22.923  3.4490  18.023  4.2827  4.900444       5.498853 
1 1 1 -7  31  3  o 40.020  2.1969  226.010   23.363    224.343   32.854    227.716   33.230    39.874  3.1005  40.166  3.1131  -0.2917786     4.393721 
1 1 1 -7  31  4  o 32.769  2.2890  153.022   19.791    158.118   27.564    147.601   28.434    33.406  3.1165  32.131  3.3533  1.275253       4.577915 
1 1 1 -7  31  5  o 24.279  2.7148  87.311    16.899    98.995    23.612    75.042    24.197    26.188  3.4501  22.369  4.1925  3.818674       5.429572 
1 1 1 -7  31  6  o 35.934  2.3144  184.336   22.015    187.833   30.795    180.680   31.484    36.335  3.1968  35.533  3.3475  0.8023796      4.628706 
1 1 1 -7  31  7  o 21.552  2.9491  72.030    16.344    103.007   23.220    41.611    23.009    26.764  3.3096  16.340  4.8821  10.42382       5.898171 
1 1 1 -7  31  8  f 6.0811  2.0566  -17.2951  9.2636    -21.6468  12.159    -11.2741  14.302    5.3007  2.5902  6.8615  3.1952  -1.560741      4.113227 
1 1 1 -7  31  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  31  10 o 10.868  3.0021  12.375    13.026    20.024    18.148    4.2466    18.708    12.041  4.3657  9.6943  4.1220  2.346588       6.004183 
1 1 1 -7  31  11 o 19.819  3.2163  62.489    16.792    52.223    23.336    73.513    24.182    17.936  4.7736  21.703  4.3119  -3.767109      6.432663 
1 1 1 -7  32  1  o 15.349  3.0495  35.958    13.523    46.812    18.817    24.364    19.447    17.607  4.0713  13.091  4.5411  4.515890       6.098925 
1 1 1 -7  32  2  o 22.382  2.8134  74.556    16.092    57.152    22.140    94.049    23.431    19.328  4.3780  25.437  3.5346  -6.108400      5.626791 
1 1 1 -7  32  3  o 6.2117  2.0343  -11.7173  8.5855    -1.6438   11.020    -27.2706  13.694    6.9936  3.0676  5.4298  2.6726  1.563834       4.068535 
1 1 1 -7  32  4  o 13.343  3.1524  25.985    13.204    24.012    17.935    28.320    19.512    12.889  4.3643  13.796  4.5500  -0.9065619     6.304739 
1 1 1 -7  32  5  o 11.757  3.0638  17.589    12.719    13.758    17.131    22.296    18.987    10.898  4.1823  12.617  4.4784  -1.718093      6.127662 
1 1 1 -7  32  6  o 25.088  3.9139  93.929    25.442    0.0000    0.0000    93.929    25.442    ?       ?       25.088  3.9139  ?              ?        
1 1 1 -7  32  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  32  8  f 10.552  2.8962  11.058    12.426    21.417    17.149    -0.3936   18.031    12.162  4.2618  8.9411  3.9228  3.220883       5.792348 
1 1 1 -7  32  9  o 13.584  3.0271  25.165    14.180    3.5495    19.575    49.028    20.568    9.6652  4.1650  17.502  4.3939  -7.837175      6.054258 
1 1 1 -7  33  1  o 28.486  2.5956  118.601   18.831    89.559    25.752    151.976   27.607    24.418  4.0815  32.555  3.2077  -8.136652      5.191180 
1 1 1 -7  33  2  o 19.245  2.9921  60.246    16.048    91.322    22.069    25.369    23.379    25.056  3.3741  13.433  4.9422  11.62259       5.984130 
1 1 1 -7  33  3  o 17.478  3.1452  47.997    14.786    51.308    20.402    44.335    21.458    18.209  4.2590  16.747  4.6291  1.461241       6.290343 
1 1 1 -7  33  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  33  5  o 14.462  3.2862  32.440    14.500    26.484    19.612    39.623    21.537    13.232  4.5620  15.693  4.7312  -2.460599      6.572330 
1 1 1 -7  33  6  o 17.937  3.2164  51.703    15.443    47.759    20.947    56.399    22.858    17.211  4.4950  18.662  4.6017  -1.451607      6.432766 
1 1 1 -7  34  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -7  34  2  o 21.689  3.1662  76.815    17.728    92.981    24.032    57.516    26.258    24.843  3.7265  18.534  5.1197  6.308218       6.332371 
1 1 1 -7  34  3  o 31.935  2.5952  153.610   21.739    160.050   30.319    146.794   31.188    32.778  3.5078  31.093  3.8256  1.684908       5.190359 
1 1 1 -6  -35 14 o 9.1010  2.8401  -5.1085   13.061    10.641    22.349    -13.2788  16.097    11.074  4.5928  7.1281  3.3423  3.945622       5.680177 
1 1 1 -6  -35 15 o 11.702  3.1201  15.814    14.925    -6.8490   24.183    29.758    18.969    9.5619  4.3419  13.842  4.4820  -4.280035      6.240263 
1 1 1 -6  -35 16 o 30.748  2.8754  142.769   22.689    175.748   33.255    114.049   31.034    34.421  3.6634  27.075  4.4329  7.346058       5.750731 
1 1 1 -6  -35 17 o 39.236  2.4850  226.176   25.825    232.416   37.282    220.419   35.807    39.733  3.5402  38.739  3.4883  0.9945717      4.970058 
1 1 1 -6  -35 18 o 20.111  3.4513  66.061    18.312    63.949    27.844    67.670    24.309    19.568  5.2172  20.654  4.5197  -1.086138      6.902698 
1 1 1 -6  -35 19 o 15.774  3.6028  38.113    18.085    59.468    27.450    21.734    24.040    18.810  5.2489  12.737  4.9365  6.073194       7.205524 
1 1 1 -6  -35 20 o 29.426  3.0622  135.016   23.215    126.513   34.126    142.339   31.672    28.225  4.6779  30.628  3.9530  -2.402914      6.124475 
1 1 1 -6  -35 21 o 35.186  2.7945  187.729   25.863    194.184   37.442    181.837   35.768    35.741  3.9786  34.632  3.9253  1.109612       5.589012 
1 1 1 -6  -35 22 o 11.175  3.2990  11.053    16.587    1.7364    26.874    16.787    21.082    10.706  4.7393  11.643  4.5905  -0.9369802     6.597963 
1 1 1 -6  -35 23 o 28.065  3.2392  125.930   23.475    126.889   34.138    125.070   32.333    28.039  4.7128  28.091  4.4451  -0.5233574E-01 6.478397 
1 1 1 -6  -34 7  o 10.358  3.0200  3.5243    13.450    21.170    22.689    -6.0369   16.701    12.683  4.8260  8.0341  3.6321  4.648427       6.040068 
1 1 1 -6  -34 8  o 23.341  2.9508  82.824    17.627    81.236    26.573    84.072    23.555    22.928  4.4876  23.753  3.8328  -0.8249569     5.901583 
1 1 1 -6  -34 9  o 25.744  2.9011  99.610    19.200    98.986    28.767    100.112   25.782    25.488  4.3710  26.001  3.8157  -0.5120869     5.802179 
1 1 1 -6  -34 10 o 9.7548  2.9397  2.7304    12.999    9.1007    21.815    -0.7768   16.186    10.960  4.5410  8.5492  3.7346  2.411147       5.879473 
1 1 1 -6  -34 11 o 13.285  2.8254  12.899    13.158    55.874    22.284    -10.1025  16.303    19.021  4.4527  7.5495  3.4791  11.47109       5.650717 
1 1 1 -6  -34 12 o 27.875  2.8557  118.837   19.828    87.655    29.016    146.156   27.159    23.795  4.7193  31.956  3.2168  -8.160772      5.711360 
1 1 1 -6  -34 13 o 29.558  2.6832  127.360   20.346    159.547   29.994    99.926    27.691    33.277  3.4134  25.839  4.1408  7.437189       5.366335 
1 1 1 -6  -34 14 o 13.810  3.3947  27.969    15.539    21.141    24.312    32.685    20.205    12.971  4.9813  14.649  4.6134  -1.677194      6.789478 
1 1 1 -6  -34 15 o 13.738  3.3928  24.928    15.474    39.511    24.459    15.196    19.981    15.911  5.0830  11.564  4.4953  4.347294       6.785583 
1 1 1 -6  -34 16 o 18.147  3.4953  52.000    17.366    52.910    26.207    51.288    23.188    18.198  5.1466  18.096  4.7308  0.1012745      6.990560 
1 1 1 -6  -34 17 o 35.164  2.5839  179.822   23.801    205.714   34.277    155.716   33.073    37.794  3.4232  32.534  3.8714  5.260841       5.167785 
1 1 1 -6  -34 18 o 24.107  3.2925  91.253    20.306    76.757    30.077    103.396   27.527    21.884  5.2067  26.330  4.0315  -4.446110      6.585046 
1 1 1 -6  -34 19 o 21.797  3.5950  75.379    20.823    95.337    30.417    57.777    28.566    24.762  4.7590  18.832  5.3897  5.930140       7.190066 
1 1 1 -6  -34 20 o 51.267  2.4226  379.044   33.035    396.355   46.548    361.477   46.890    52.557  3.3237  49.977  3.5255  2.580357       4.845212 
1 1 1 -6  -34 21 o 25.556  3.1263  100.291   20.545    96.130    30.051    103.943   28.151    24.855  4.6858  26.257  4.1399  -1.401510      6.252656 
1 1 1 -6  -34 22 o 13.533  3.4729  26.147    16.902    13.007    26.571    35.078    21.905    12.078  5.0084  14.989  4.8126  -2.911193      6.945891 
1 1 1 -6  -34 23 o 20.204  3.6760  67.684    20.276    55.064    29.741    78.643    27.715    18.139  5.5785  22.270  4.7887  -4.131289      7.351919 
1 1 1 -6  -34 24 o 17.321  3.8164  48.756    19.895    63.225    29.539    36.742    26.915    19.412  5.4548  15.230  5.3390  4.182121       7.632826 
1 1 1 -6  -34 25 o 21.203  3.5243  71.918    20.858    113.353   31.187    38.383    28.057    26.976  4.4730  15.430  5.4475  11.54584       7.048611 
1 1 1 -6  -34 26 o 10.048  3.1750  -2.0568   17.175    -0.2404   26.906    -3.3060   22.312    10.602  4.7151  9.4949  4.2532  1.106854       6.349954 
1 1 1 -6  -34 27 o 36.484  2.7654  201.756   26.597    197.685   37.269    205.982   37.968    36.099  3.9173  36.868  3.9043  -0.7687416     5.530706 
1 1 1 -6  -34 28 o 25.071  3.5223  107.686   23.151    57.791    32.473    159.255   33.013    17.858  5.8688  32.284  3.8965  -14.42593      7.044597 
1 1 1 -6  -34 29 o 19.992  3.7751  69.741    20.723    81.831    30.264    59.068    28.435    21.752  5.2535  18.233  5.4227  3.519613       7.550199 
1 1 1 -6  -33 2  o 23.910  2.8629  86.516    17.551    83.296    26.161    89.152    23.668    23.293  4.3532  24.526  3.7195  -1.232569      5.725805 
1 1 1 -6  -33 3  o 14.774  2.7963  23.828    14.056    66.740    22.120    -5.2325   18.203    21.019  4.0761  8.5277  3.8292  12.49175       5.592631 
1 1 1 -6  -33 4  o 46.936  2.2045  313.142   27.496    296.340   39.322    329.218   38.464    45.591  3.2412  48.280  2.9891  -2.688656      4.409057 
1 1 1 -6  -33 5  o 22.697  3.1284  82.339    18.144    49.685    26.623    110.655   24.792    17.689  5.2440  27.706  3.4130  -10.01706      6.256855 
1 1 1 -6  -33 6  o 32.965  2.5432  159.067   21.642    136.578   31.910    178.226   29.452    30.475  4.0063  35.454  3.1337  -4.979725      5.086311 
1 1 1 -6  -33 7  o 33.778  2.4422  161.998   21.608    191.006   32.136    138.059   29.193    36.623  3.3119  30.934  3.5901  5.689098       4.884433 
1 1 1 -6  -33 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -33 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -33 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -33 11 o 13.107  4.6110  23.725    20.084    0.0000    0.0000    23.725    20.084    ?       ?       13.107  4.6110  ?              ?        
1 1 1 -6  -33 12 o 24.007  3.0130  85.141    18.245    127.919   27.368    50.923    24.477    29.874  3.4858  18.139  4.9155  11.73511       6.025968 
1 1 1 -6  -33 13 o 34.544  2.4455  170.190   22.304    179.351   32.221    161.763   30.905    35.457  3.4358  33.632  3.4811  1.824257       4.891090 
1 1 1 -6  -33 14 o 21.693  3.1882  70.529    17.920    86.842    26.583    56.940    24.262    24.144  4.2667  19.243  4.7386  4.900475       6.376418 
1 1 1 -6  -33 15 o 46.621  2.3344  308.489   28.887    286.731   41.016    329.901   40.689    44.872  3.4388  48.369  3.1580  -3.496674      4.668846 
1 1 1 -6  -33 16 o 10.268  3.0212  -1.4789   14.463    20.640    22.804    -16.3641  18.707    12.851  4.8507  7.6840  3.6030  5.167048       6.042373 
1 1 1 -6  -33 17 o 16.591  3.5290  42.486    16.925    43.514    24.871    41.600    23.098    16.751  5.0920  16.432  4.8875  0.3188782      7.058031 
1 1 1 -6  -33 18 o 39.582  2.4444  224.195   25.629    217.541   36.623    230.581   35.877    38.935  3.5508  40.230  3.3603  -1.295197      4.888762 
1 1 1 -6  -33 19 o 19.812  3.3912  59.850    18.025    78.823    26.880    44.348    24.297    22.747  4.5705  16.877  5.0111  5.869474       6.782408 
1 1 1 -6  -33 20 o 13.700  3.4148  25.526    15.466    33.960    24.192    19.695    20.113    15.043  5.0688  12.357  4.5771  2.685794       6.829530 
1 1 1 -6  -33 21 o 31.425  2.7892  145.287   22.865    133.705   32.488    156.656   32.186    30.024  4.1508  32.826  3.7268  -2.801760      5.578387 
1 1 1 -6  -33 22 o 42.820  2.4762  264.079   28.012    291.969   39.730    236.508   39.502    45.245  3.3011  40.394  3.6918  4.851166       4.952497 
1 1 1 -6  -33 23 o 37.044  2.7071  201.985   26.059    168.457   36.983    235.047   36.725    33.638  4.1958  40.450  3.4218  -6.811192      5.414202 
1 1 1 -6  -33 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -33 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -33 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -33 27 f 25.145  3.4328  102.808   22.082    69.290    31.711    134.360   30.767    20.293  5.6341  29.996  3.9234  -9.702978      6.865605 
1 1 1 -6  -33 28 o 34.184  2.7839  175.018   25.024    176.352   35.528    173.704   35.251    34.315  3.9367  34.053  3.9374  0.2615204      5.567764 
1 1 1 -6  -33 29 o 41.756  2.6569  259.138   29.078    304.356   41.999    217.508   40.298    45.577  3.4663  37.935  4.0276  7.641434       5.313831 
1 1 1 -6  -33 30 o 18.038  3.8042  54.728    20.273    72.210    29.739    39.552    27.709    20.615  5.3423  15.461  5.4173  5.154435       7.608332 
1 1 1 -6  -33 31 o 15.224  3.8120  37.719    19.771    50.494    29.042    26.684    26.991    16.972  5.5488  13.476  5.2285  3.495859       7.624006 
1 1 1 -6  -33 32 o 30.721  3.1945  151.252   25.440    160.303   37.601    143.611   34.549    31.490  4.5931  29.951  4.4411  1.538937       6.389064 
1 1 1 -6  -33 33 o 12.136  3.2785  3.0423    17.820    51.175    27.969    -29.8452  23.119    16.743  5.4440  7.5291  3.6549  9.214355       6.557067 
1 1 1 -6  -32 1  o 25.488  2.6973  95.099    17.799    96.014    26.178    94.313    24.274    25.524  3.9572  25.453  3.6663  0.7124710E-01  5.394592 
1 1 1 -6  -32 2  o 22.359  2.8891  74.351    16.618    72.273    24.314    76.172    22.764    21.952  4.2890  22.766  3.8719  -0.8142357     5.778158 
1 1 1 -6  -32 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -32 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -32 5  o 17.538  3.0784  44.560    14.730    65.094    22.519    29.204    19.475    20.942  4.1613  14.134  4.5377  6.807917       6.156864 
1 1 1 -6  -32 6  o 27.274  2.6017  107.217   18.427    106.140   27.302    108.118   24.972    27.042  3.8806  27.506  3.4664  -0.4639835     5.203379 
1 1 1 -6  -32 7  o 28.768  2.4975  117.606   18.738    134.303   27.647    103.420   25.484    30.723  3.4175  26.812  3.6429  3.911600       4.994966 
1 1 1 -6  -32 8  o 11.716  2.9852  15.876    13.262    -2.6313   21.015    28.125    17.096    9.5828  4.2189  13.848  4.2244  -4.265346      5.970309 
1 1 1 -6  -32 9  o 10.488  2.9420  9.0521    11.944    15.438    19.875    5.4420    14.944    11.744  4.5053  9.2327  3.7848  2.510890       5.884089 
1 1 1 -6  -32 10 o 29.085  2.5326  122.540   18.992    106.549   27.840    136.462   25.976    27.065  3.9572  31.106  3.1617  -4.040091      5.065141 
1 1 1 -6  -32 11 o 22.806  2.8518  75.773    16.710    89.308    24.702    64.355    22.689    24.797  3.8435  20.814  4.2142  3.983055       5.703650 
1 1 1 -6  -32 12 o 28.530  2.5986  116.698   18.672    157.014   27.546    82.426    25.397    33.410  3.1140  23.651  4.1611  9.758989       5.197278 
1 1 1 -6  -32 13 o 22.045  3.0307  72.273    17.216    71.437    25.177    73.007    23.594    21.840  4.4549  22.251  4.1103  -0.4109554     6.061406 
1 1 1 -6  -32 14 f 46.054  2.2632  297.797   27.708    318.642   39.859    278.305   38.544    47.658  3.1401  44.449  3.2602  3.209106       4.526463 
1 1 1 -6  -32 15 o 21.589  3.0703  69.188    17.135    87.981    25.149    52.905    23.409    24.540  3.9609  18.637  4.6924  5.903049       6.140654 
1 1 1 -6  -32 16 o 18.815  3.2731  54.449    16.634    41.556    24.037    66.296    23.042    16.517  5.0025  21.112  4.2222  -4.594612      6.546143 
1 1 1 -6  -32 17 o 42.987  2.3209  261.076   26.484    275.704   37.482    246.491   37.425    44.262  3.1829  41.713  3.3787  2.549076       4.641822 
1 1 1 -6  -32 18 o 37.675  2.4186  201.789   24.134    198.459   34.274    205.065   33.990    37.335  3.4669  38.014  3.3733  -0.6793785     4.837210 
1 1 1 -6  -32 19 o 22.482  3.1353  78.507    18.126    50.126    26.084    105.010   25.206    17.954  5.1538  27.009  3.5720  -9.054285      6.270627 
1 1 1 -6  -32 20 o 44.049  2.4096  276.474   28.056    246.767   39.680    306.173   39.675    41.516  3.6041  46.583  3.1992  -5.066719      4.819192 
1 1 1 -6  -32 21 o 37.135  2.5288  197.618   24.732    220.477   35.571    176.227   34.410    39.338  3.4097  34.933  3.7355  4.404453       5.057620 
1 1 1 -6  -32 22 o 28.392  2.8121  118.199   20.790    120.543   29.903    116.006   28.926    28.650  4.0063  28.133  3.9473  0.5165424      5.624183 
1 1 1 -6  -32 23 o 48.492  2.3814  334.849   30.739    332.820   43.333    336.904   43.610    48.344  3.3675  48.640  3.3681  -0.2965927     4.762800 
1 1 1 -6  -32 24 o 20.127  3.4787  62.935    18.678    74.783    27.354    52.585    25.567    21.986  4.7812  18.268  5.0543  3.718203       6.957409 
1 1 1 -6  -32 25 o 11.877  3.3800  13.062    16.822    4.4253    24.440    20.837    23.188    10.913  4.6773  12.841  4.8806  -1.928114      6.759965 
1 1 1 -6  -32 26 o 38.366  2.5502  213.675   25.748    190.736   36.387    236.678   36.438    36.112  3.8199  40.620  3.3797  -4.508453      5.100416 
1 1 1 -6  -32 27 o 29.137  2.9438  126.880   22.025    151.579   31.840    104.218   30.499    32.160  3.7677  26.115  4.5242  6.044985       5.887608 
1 1 1 -6  -32 28 o 9.3127  2.9534  -10.2464  15.627    7.1869    23.613    -23.8321  20.845    11.014  4.6544  7.6109  3.6367  3.403544       5.906728 
1 1 1 -6  -32 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -32 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -32 31 o 40.522  2.6074  242.152   27.947    260.163   40.502    225.783   38.611    42.018  3.6345  39.025  3.7396  2.992973       5.214796 
1 1 1 -6  -32 32 o 31.870  2.9319  154.751   24.164    182.532   35.232    130.078   33.203    34.863  3.8365  28.877  4.4345  5.985439       5.863753 
1 1 1 -6  -32 33 o 53.202  2.5023  420.112   35.407    403.277   50.483    436.411   49.674    51.987  3.6486  54.416  3.4256  -2.428295      5.004657 
1 1 1 -6  -32 34 f 10.892  3.3474  6.5352    18.137    5.1148    27.116    7.6852    24.399    10.955  4.8083  10.829  4.6583  0.1252956      6.694754 
1 1 1 -6  -32 35 o 13.454  3.6723  26.962    19.026    40.321    28.407    16.093    25.622    15.110  5.4645  11.798  4.9075  3.311658       7.344652 
1 1 1 -6  -31 1  o 24.172  2.5969  85.237    16.069    73.707    23.402    95.521    22.103    22.399  4.0496  25.945  3.2520  -3.545950      5.193751 
1 1 1 -6  -31 2  o 9.7706  2.8347  3.5841    11.981    14.403    18.799    -3.8170   15.548    11.432  4.3826  8.1090  3.5965  3.323093       5.669398 
1 1 1 -6  -31 3  o 21.283  2.7973  65.984    15.311    70.708    22.796    62.101    20.667    21.960  4.0238  20.606  3.8870  1.353943       5.594639 
1 1 1 -6  -31 4  o 47.326  2.1336  312.694   26.874    302.391   38.432    322.552   37.592    46.505  3.1031  48.146  2.9290  -1.640770      4.267148 
1 1 1 -6  -31 5  f 38.926  2.2144  212.811   22.819    200.389   32.828    224.424   31.742    37.736  3.2806  40.117  2.9753  -2.381218      4.428803 
1 1 1 -6  -31 6  o 13.727  3.0373  21.378    13.773    47.723    21.615    3.3696    17.871    17.826  4.5205  9.6275  4.0577  8.198278       6.074505 
1 1 1 -6  -31 7  o 20.937  2.9665  65.620    15.917    56.985    23.946    72.455    21.306    19.454  4.6574  22.420  3.6753  -2.966457      5.932902 
1 1 1 -6  -31 8  o 50.223  2.1540  351.043   28.825    356.275   41.512    346.172   40.056    50.564  3.0798  49.882  3.0122  0.6824303      4.307921 
1 1 1 -6  -31 9  o 44.852  2.1832  279.987   26.034    300.137   37.619    261.468   36.064    46.430  3.0418  43.273  3.1327  3.156349       4.366494 
1 1 1 -6  -31 10 o 12.131  3.0670  16.916    12.717    27.895    19.973    9.4305    16.492    14.007  4.6027  10.255  4.0547  3.751867       6.133960 
1 1 1 -6  -31 11 f 24.067  2.7042  83.566    16.802    82.382    24.579    84.604    23.022    23.831  3.9918  24.304  3.6492  -0.4735107     5.408442 
1 1 1 -6  -31 12 o 38.544  2.2308  207.637   22.821    204.739   32.520    210.449   32.034    38.253  3.2035  38.835  3.1056  -0.5823936     4.461688 
1 1 1 -6  -31 13 o 27.225  2.5189  105.260   17.750    123.503   25.741    88.722    24.508    29.611  3.3017  24.838  3.8051  4.773066       5.037894 
1 1 1 -6  -31 14 o 38.334  2.2999  205.796   23.386    211.244   33.310    200.501   32.841    38.848  3.2305  37.819  3.2743  1.029068       4.599712 
1 1 1 -6  -31 15 o 14.391  3.2776  29.662    14.335    31.801    21.065    27.818    19.563    14.806  4.7158  13.976  4.5534  0.8294935      6.555287 
1 1 1 -6  -31 16 o 17.389  3.2239  44.499    15.570    59.978    22.814    31.003    21.303    20.115  4.3601  14.662  4.7500  5.453626       6.447707 
1 1 1 -6  -31 17 o 33.316  2.4224  157.380   21.033    184.379   29.966    131.163   29.528    36.318  3.1104  30.314  3.7144  6.004251       4.844738 
1 1 1 -6  -31 18 o 28.806  2.6377  118.914   19.653    138.789   28.205    100.158   27.399    31.326  3.4169  26.287  4.0191  5.038965       5.275307 
1 1 1 -6  -31 19 o 6.7778  2.3217  -28.3761  13.003    -37.6093  20.221    -21.8664  16.979    6.7292  3.2992  6.8264  3.2674  -0.9726477E-01 4.643300 
1 1 1 -6  -31 20 o 30.885  2.5775  136.514   20.795    122.329   29.347    150.820   29.472    29.141  3.8544  32.629  3.4232  -3.487967      5.155095 
1 1 1 -6  -31 21 o 13.604  3.3263  25.189    15.364    13.474    22.971    34.673    20.668    11.943  4.7654  15.265  4.6421  -3.321692      6.652674 
1 1 1 -6  -31 22 o 25.676  2.9693  97.890    19.304    124.403   27.601    72.504    27.008    29.487  3.5672  21.864  4.7478  7.623356       5.938562 
1 1 1 -6  -31 23 o 32.278  2.5659  149.502   21.775    155.074   30.629    143.807   30.964    32.951  3.5250  31.605  3.7296  1.346624       5.131818 
1 1 1 -6  -31 24 o 40.728  2.3741  235.582   25.630    247.709   36.119    223.283   36.375    41.864  3.2465  39.592  3.4649  2.271999       4.748203 
1 1 1 -6  -31 25 o 68.344  2.3245  660.769   42.378    702.962   59.631    617.715   60.236    70.733  3.1474  65.954  3.4215  4.779190       4.648990 
1 1 1 -6  -31 26 o 43.810  2.3782  273.666   27.620    252.643   39.001    294.819   39.121    42.006  3.4982  45.613  3.2228  -3.607525      4.756458 
1 1 1 -6  -31 27 o 45.993  2.3437  301.563   28.639    285.043   40.524    318.047   40.479    44.645  3.4147  47.342  3.2112  -2.696655      4.687443 
1 1 1 -6  -31 28 o 12.627  3.4416  17.875    16.454    27.968    25.395    10.573    21.602    14.092  5.1559  11.161  4.5601  2.930909       6.883161 
1 1 1 -6  -31 29 o 37.303  2.5069  201.768   24.694    191.442   35.256    211.713   34.600    36.251  3.6821  38.356  3.4031  -2.105633      5.013893 
1 1 1 -6  -31 30 o 15.480  3.4915  35.331    17.069    53.688    25.370    20.150    23.071    18.319  5.0210  12.642  4.8531  5.677125       6.983050 
1 1 1 -6  -31 31 o 26.652  3.1854  109.832   21.761    101.452   32.021    117.024   29.663    25.391  4.8857  27.914  4.0886  -2.523235      6.370773 
1 1 1 -6  -31 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -31 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -31 34 o 23.848  3.4594  91.590    21.407    119.085   31.459    67.878    29.215    27.652  4.3945  20.044  5.3440  7.607296       6.918840 
1 1 1 -6  -31 35 f 13.258  3.6301  24.890    18.600    17.887    27.050    31.171    25.617    12.421  5.0920  14.094  5.1751  -1.672747      7.260210 
1 1 1 -6  -31 36 o 16.113  3.7002  44.057    19.541    24.434    27.744    63.377    27.528    13.127  5.2372  19.099  5.2284  -5.971735      7.400321 
1 1 1 -6  -31 37 o 15.978  3.8602  46.348    19.854    45.435    28.371    47.224    27.794    15.825  5.4852  16.132  5.4331  -0.3068218     7.720488 
1 1 1 -6  -30 1  o 28.658  2.3440  116.100   17.648    113.251   25.156    118.861   24.765    28.274  3.3893  29.041  3.2390  -0.7668076     4.688083 
1 1 1 -6  -30 2  o 16.258  3.0523  39.670    13.632    32.876    20.222    45.328    18.456    14.970  4.5993  17.546  4.0140  -2.576275      6.104603 
1 1 1 -6  -30 3  o 21.891  2.7535  69.385    15.411    87.710    22.478    53.133    21.169    24.832  3.4746  18.950  4.2726  5.882280       5.507057 
1 1 1 -6  -30 4  o 32.703  2.2682  149.988   19.569    145.830   28.323    153.787   27.070    32.210  3.3310  33.197  3.0796  -0.9867706     4.536434 
1 1 1 -6  -30 5  f 33.703  2.2377  158.803   19.525    200.024   28.405    121.886   26.882    38.032  2.8083  29.374  3.4846  8.658073       4.475354 
1 1 1 -6  -30 6  o 33.945  2.2220  160.638   19.952    161.155   28.891    160.167   27.587    33.968  3.2137  33.923  3.0694  0.4459381E-01  4.444015 
1 1 1 -6  -30 7  o 70.494  2.2121  686.534   41.762    698.785   59.714    674.805   58.427    71.105  3.1354  69.884  3.1214  1.221016       4.424209 
1 1 1 -6  -30 8  o 74.054  2.2677  757.750   44.912    816.419   64.425    702.284   62.642    76.898  3.1279  71.211  3.2842  5.686691       4.535374 
1 1 1 -6  -30 9  o 13.962  2.9708  26.120    12.042    38.023    19.172    18.366    15.475    16.107  4.3442  11.817  4.0536  4.290744       5.941677 
1 1 1 -6  -30 10 o 36.591  2.2477  185.927   21.781    198.605   31.182    173.847   30.437    37.847  3.1033  35.334  3.2525  2.512878       4.495448 
1 1 1 -6  -30 11 f 11.298  2.8737  11.755    12.811    -9.0731   19.414    27.819    17.050    8.6476  3.9122  13.949  4.2105  -5.301064      5.747496 
1 1 1 -6  -30 12 o 30.716  2.3767  132.059   19.211    127.521   27.435    136.426   26.910    30.155  3.4593  31.278  3.2600  -1.122993      4.753334 
1 1 1 -6  -30 13 f 19.319  3.0395  54.854    15.332    48.939    22.234    60.216    21.170    18.225  4.5645  20.413  4.0149  -2.188139      6.079019 
1 1 1 -6  -30 14 o 34.539  2.3015  166.019   21.034    161.133   29.619    170.990   29.875    34.007  3.2930  35.070  3.2163  -1.063591      4.603024 
1 1 1 -6  -30 15 o 14.264  3.2503  28.663    14.160    25.671    20.843    31.229    19.298    13.786  4.7046  14.743  4.4861  -0.9577932     6.500647 
1 1 1 -6  -30 16 o 74.365  2.2639  763.779   45.043    803.653   63.657    723.794   63.745    76.371  3.1119  72.358  3.2890  4.012398       4.527897 
1 1 1 -6  -30 17 o 48.431  2.1933  325.423   28.204    347.365   39.373    302.296   40.422    50.196  2.9413  46.665  3.2543  3.530933       4.386563 
1 1 1 -6  -30 18 o 46.731  2.1986  302.425   27.360    305.052   38.566    299.763   38.822    46.948  3.0840  46.513  3.1344  0.4349327      4.397209 
1 1 1 -6  -30 19 o 22.309  2.9909  72.322    17.212    76.899    24.702    68.003    23.995    23.039  4.1559  21.579  4.3023  1.459309       5.981752 
1 1 1 -6  -30 20 o 19.449  3.0795  57.847    16.431    28.055    23.731    85.284    22.774    14.394  5.0150  24.503  3.5752  -10.10922      6.158935 
1 1 1 -6  -30 21 f 28.822  2.5680  117.800   19.380    115.300   27.395    120.305   27.419    28.492  3.6754  29.151  3.5874  -0.6584930     5.135941 
1 1 1 -6  -30 22 o 57.585  2.2169  461.143   34.034    473.143   47.596    448.587   48.685    58.408  3.0529  56.762  3.2154  1.645874       4.433828 
1 1 1 -6  -30 23 o 49.655  2.2312  344.666   29.407    372.325   41.228    316.017   41.958    51.798  2.9842  47.512  3.3179  4.286556       4.462470 
1 1 1 -6  -30 24 o 20.544  3.1941  63.048    17.124    55.700    24.024    70.637    24.415    19.224  4.7040  21.864  4.3223  -2.639639      6.388247 
1 1 1 -6  -30 25 o 15.462  3.3744  35.530    15.687    26.733    22.812    43.422    21.607    13.953  4.9136  16.971  4.6263  -3.018601      6.748786 
1 1 1 -6  -30 26 o 41.785  2.3413  246.446   25.956    261.171   36.913    232.045   36.506    43.082  3.2222  40.488  3.3977  2.594494       4.682604 
1 1 1 -6  -30 27 o 45.001  2.3072  285.968   27.607    296.978   39.211    275.145   38.875    45.901  3.2095  44.101  3.3153  1.800133       4.614367 
1 1 1 -6  -30 28 o 17.232  3.4941  46.055    16.933    44.658    25.333    47.183    22.766    16.962  5.1353  17.502  4.7396  -0.5400009     6.988147 
1 1 1 -6  -30 29 o 28.387  2.7512  117.902   20.328    127.571   29.348    108.984   28.184    29.578  3.7917  27.196  3.9875  2.382477       5.502481 
1 1 1 -6  -30 30 o 10.876  3.2217  7.0212    15.780    10.964    23.134    3.5910    21.578    11.464  4.7054  10.289  4.4020  1.174903       6.443496 
1 1 1 -6  -30 31 o 16.845  3.5047  43.411    17.557    62.036    25.848    27.456    23.923    19.821  4.8972  13.868  5.0149  5.952709       7.009370 
1 1 1 -6  -30 32 o 24.680  3.0996  92.902    19.716    95.409    28.705    90.663    27.128    24.950  4.4590  24.409  4.3067  0.5406418      6.199182 
1 1 1 -6  -30 33 o 15.816  3.5026  36.701    17.664    60.379    26.372    17.433    23.790    19.345  5.0392  12.287  4.8662  7.058449       7.005247 
1 1 1 -6  -30 34 o 18.432  3.7310  55.396    19.668    69.539    28.704    42.880    27.004    20.613  5.1995  16.252  5.3523  4.360941       7.462072 
1 1 1 -6  -30 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -30 36 o 19.095  3.7556  61.699    19.904    65.695    28.840    58.065    27.503    19.673  5.3375  18.517  5.2848  1.155539       7.511176 
1 1 1 -6  -30 37 o 14.246  3.7002  32.327    18.556    35.646    26.437    29.103    26.052    14.733  5.2786  13.758  5.1867  0.9746990      7.400331 
1 1 1 -6  -30 38 o 13.226  3.6132  25.312    18.517    37.019    26.994    14.908    25.448    14.741  5.3275  11.710  4.8825  3.030670       7.226450 
1 1 1 -6  -30 39 o 12.577  3.5292  23.147    17.998    15.314    25.744    30.634    25.171    11.606  4.8797  13.547  5.1000  -1.941424      7.058443 
1 1 1 -6  -29 1  o 21.146  2.6887  64.785    14.605    57.511    21.014    71.583    20.314    19.857  4.0871  22.435  3.4944  -2.577333      5.377309 
1 1 1 -6  -29 2  o 25.135  2.4334  89.634    15.846    81.205    22.791    97.520    22.045    23.876  3.6822  26.394  3.1825  -2.517574      4.866900 
1 1 1 -6  -29 3  o 23.811  2.4864  79.946    15.353    86.135    22.448    74.506    21.046    24.698  3.4905  22.923  3.5420  1.775459       4.972837 
1 1 1 -6  -29 4  o 10.507  2.7804  6.9916    11.276    23.808    17.726    -4.4393   14.615    13.175  4.3364  7.8389  3.4812  5.336046       5.560852 
1 1 1 -6  -29 5  o 43.378  2.1026  259.938   24.201    241.819   34.684    277.130   33.784    41.835  3.1177  44.922  2.8222  -3.086262      4.205290 
1 1 1 -6  -29 6  o 42.650  2.0818  250.173   23.487    286.706   33.837    216.202   32.629    45.730  2.7756  39.570  3.1034  6.160011       4.163509 
1 1 1 -6  -29 7  o 35.812  2.2396  178.250   21.129    161.458   30.377    193.991   29.410    34.083  3.3717  37.540  2.9486  -3.457516      4.479140 
1 1 1 -6  -29 8  o 22.366  2.6558  72.272    15.098    59.981    22.263    82.738    20.543    20.382  4.2171  24.350  3.2295  -3.968031      5.311642 
1 1 1 -6  -29 9  o 31.727  2.2219  139.499   18.589    133.686   26.782    144.903   25.823    31.041  3.2704  32.414  3.0087  -1.372803      4.443834 
1 1 1 -6  -29 10 o 56.919  2.0877  443.888   31.711    457.398   45.016    430.581   44.677    57.796  2.9173  56.042  2.9871  1.753845       4.175349 
1 1 1 -6  -29 11 o 45.001  2.1048  278.629   25.103    248.204   35.451    309.228   35.552    42.460  3.1394  47.542  2.8043  -5.082409      4.209529 
1 1 1 -6  -29 12 o 38.392  2.1277  202.654   21.704    199.960   30.662    205.360   30.725    38.129  3.0273  38.655  2.9908  -0.5261993     4.255487 
1 1 1 -6  -29 13 o 23.034  2.6419  75.633    15.601    65.023    22.408    85.612    21.733    21.312  4.0740  24.756  3.3648  -3.444363      5.283835 
1 1 1 -6  -29 14 o 18.489  3.0815  49.481    15.000    51.749    21.744    47.423    20.718    18.891  4.3822  18.088  4.3333  0.8035698      6.162917 
1 1 1 -6  -29 15 o 20.352  2.8617  59.342    15.047    62.252    21.610    56.603    20.964    20.856  4.0140  19.848  4.0798  1.008905       5.723394 
1 1 1 -6  -29 16 o 15.914  3.2540  36.309    14.721    41.450    21.149    31.477    20.503    16.895  4.5653  14.934  4.6382  1.960869       6.508061 
1 1 1 -6  -29 17 o 38.475  2.2202  204.251   22.669    208.757   31.823    199.608   32.300    38.931  3.0768  38.020  3.2016  0.9112511      4.440364 
1 1 1 -6  -29 18 o 42.503  2.1536  248.170   24.273    222.489   33.631    276.094   35.068    40.160  3.1517  44.845  2.9357  -4.684750      4.307192 
1 1 1 -6  -29 19 o 24.564  2.6875  85.638    17.070    81.450    24.550    89.558    23.752    23.910  3.9727  25.217  3.6205  -1.306604      5.374963 
1 1 1 -6  -29 20 o 58.401  2.1312  468.687   33.231    484.981   46.491    451.667   47.517    59.522  2.9161  57.279  3.1088  2.242664       4.262384 
1 1 1 -6  -29 21 o 65.641  2.1713  591.715   38.172    586.606   53.550    596.993   54.427    65.359  3.0589  65.923  3.0824  -0.5635376     4.342589 
1 1 1 -6  -29 22 o 35.146  2.3337  171.902   21.708    174.533   30.638    169.249   30.761    35.432  3.2651  34.860  3.3351  0.5722237      4.667317 
1 1 1 -6  -29 23 o 59.463  2.1932  488.371   34.801    490.702   48.745    485.947   49.702    59.631  3.0622  59.296  3.1406  0.3355789      4.386408 
1 1 1 -6  -29 24 o 47.504  2.1888  312.574   27.693    316.926   39.032    308.162   39.297    47.855  3.0612  47.152  3.1292  0.7028923      4.377547 
1 1 1 -6  -29 25 o 20.567  3.1535  62.647    17.035    81.973    24.492    44.537    23.709    23.848  3.9741  17.287  4.8974  6.561403       6.306983 
1 1 1 -6  -29 26 f 68.977  2.2368  660.042   41.323    669.192   58.384    650.858   58.495    69.476  3.1374  68.479  3.1891  0.9970551      4.473691 
1 1 1 -6  -29 27 o 29.939  2.5582  127.431   20.075    130.671   29.232    124.538   27.617    30.273  3.6809  29.606  3.5537  0.6672344      5.116416 
1 1 1 -6  -29 28 o 8.7939  2.7979  -10.3855  13.932    2.1630    21.281    -19.7970  18.430    10.207  4.3693  7.3812  3.4960  2.825383       5.595833 
1 1 1 -6  -29 29 o 18.104  3.4587  50.171    17.204    55.252    24.693    45.378    23.982    18.990  4.8403  17.217  4.9417  1.773254       6.917310 
1 1 1 -6  -29 30 o 29.370  2.6523  124.760   20.152    147.384   29.185    104.144   27.859    32.111  3.4472  26.630  4.0319  5.480907       5.304661 
1 1 1 -6  -29 31 f 28.811  2.6523  121.317   19.817    115.445   29.326    126.251   26.884    27.987  4.0281  29.634  3.4516  -1.647011      5.304622 
1 1 1 -6  -29 32 o 15.882  3.2018  34.048    16.626    67.888    24.681    5.9368    22.495    21.030  4.5164  10.733  4.5397  10.29700       6.403690 
1 1 1 -6  -29 33 o 20.498  3.4065  65.739    18.704    86.585    27.295    47.284    25.682    23.794  4.4463  17.202  5.1621  6.591934       6.812983 
1 1 1 -6  -29 34 o 27.204  2.9328  111.422   20.603    124.554   29.577    99.044    28.715    28.942  3.9160  25.466  4.3670  3.476303       5.865634 
1 1 1 -6  -29 35 f 18.836  3.6007  57.690    18.617    54.927    26.313    60.460    26.343    18.351  5.1455  19.321  5.0383  -0.9697018     7.201419 
1 1 1 -6  -29 36 o 11.741  3.3624  13.668    16.697    5.9983    23.881    21.003    23.355    10.817  4.6295  12.665  4.8775  -1.848149      6.724775 
1 1 1 -6  -29 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -29 38 o 25.499  3.3532  106.749   21.749    145.850   31.075    69.208    30.449    31.040  3.8181  19.958  5.5134  11.08288       6.706369 
1 1 1 -6  -29 39 o 11.944  3.3677  12.588    17.766    -8.8504   24.816    35.126    25.445    9.3499  4.3028  14.537  5.1818  -5.187365      6.735347 
1 1 1 -6  -29 40 o 21.653  3.6317  83.540    21.465    110.676   30.409    56.593    30.303    25.936  4.5429  17.370  5.6674  8.566027       7.263410 
1 1 1 -6  -28 1  o 40.534  2.0719  226.067   22.313    240.837   31.776    211.701   31.339    41.875  2.8500  39.193  3.0082  2.682556       4.143856 
1 1 1 -6  -28 2  o 9.0375  2.2831  0.2233    9.6197    -29.5769  14.912    21.462    12.589    5.7419  2.8188  12.333  3.5922  -6.591187      4.566118 
1 1 1 -6  -28 3  o 28.423  2.3179  113.061   17.150    99.783    24.714    125.393   23.818    26.697  3.5437  30.149  2.9888  -3.452021      4.635830 
1 1 1 -6  -28 4  o 18.949  2.7698  53.600    13.661    32.412    19.944    72.328    18.750    15.110  4.5523  22.788  3.1567  -7.678498      5.539691 
1 1 1 -6  -28 5  o 26.553  2.3719  97.926    16.128    124.016   23.622    75.144    22.073    30.012  2.9779  23.095  3.6928  6.916954       4.743876 
1 1 1 -6  -28 6  o 36.246  2.0612  180.105   19.832    178.976   28.429    181.176   27.680    36.121  2.9645  36.372  2.8645  -0.2509422     4.122315 
1 1 1 -6  -28 7  o 11.013  2.8695  10.617    11.520    23.146    17.949    1.8396    15.023    13.168  4.3649  8.8567  3.7259  4.311675       5.738929 
1 1 1 -6  -28 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 13 o 94.658  3.6192  1258.96   90.731    1263.09   136.836   1255.72   121.207   94.520  5.4276  94.796  4.7891  -0.2758484     7.238437 
1 1 1 -6  -28 14 o 25.246  3.5303  93.571    20.907    86.841    39.317    96.225    24.687    24.219  6.0721  26.273  3.6030  -2.053402      7.060645 
1 1 1 -6  -28 15 o 18.869  3.5329  53.494    17.355    41.958    32.441    58.119    20.542    17.511  5.8699  20.227  3.9332  -2.716717      7.065835 
1 1 1 -6  -28 16 o 7.9254  2.6545  -11.6976  11.126    -29.0601  28.066    -8.4601   12.119    9.2586  4.3637  6.5921  3.0238  2.666455       5.308937 
1 1 1 -6  -28 17 o 9.6780  4.1768  -1.1376   19.747    0.0000    0.0000    -1.1376   19.747    ?       ?       9.6780  4.1768  ?              ?        
1 1 1 -6  -28 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 22 o 34.291  2.3616  163.125   21.366    168.335   29.605    157.461   30.867    34.914  3.2015  33.668  3.4727  1.245552       4.723228 
1 1 1 -6  -28 23 o 30.742  2.3920  131.488   19.364    133.824   27.242    129.103   27.530    31.039  3.3287  30.445  3.4361  0.5940075      4.783977 
1 1 1 -6  -28 24 o 37.419  2.2325  193.579   22.140    182.958   31.197    204.358   31.427    36.348  3.2382  38.490  3.0740  -2.142029      4.464953 
1 1 1 -6  -28 25 o 39.786  2.1979  218.678   23.194    235.671   33.180    202.441   32.434    41.341  3.0173  38.232  3.1967  3.109058       4.395741 
1 1 1 -6  -28 26 o 24.515  2.7836  86.129    17.605    81.508    25.432    90.381    24.396    23.790  4.1417  25.240  3.7202  -1.450121      5.567165 
1 1 1 -6  -28 27 o 10.331  3.0094  4.7107    13.838    -4.3907   20.032    13.018    19.138    9.2750  4.0994  11.387  4.4069  -2.111869      6.018801 
1 1 1 -6  -28 28 o 11.964  3.1832  13.978    14.430    26.265    21.069    3.1224    19.803    13.847  4.7301  10.080  4.2612  3.766922       6.366484 
1 1 1 -6  -28 29 o 41.988  2.2504  246.051   25.114    249.767   36.035    242.542   35.021    42.286  3.2054  41.691  3.1597  0.5949173      4.500863 
1 1 1 -6  -28 30 o 24.511  2.8537  87.709    18.027    83.703    26.162    91.332    24.876    23.864  4.2487  25.158  3.8109  -1.294622      5.707412 
1 1 1 -6  -28 31 o 16.111  3.4526  39.071    16.147    41.287    23.860    37.199    21.933    16.489  4.9818  15.732  4.7816  0.7563257      6.905186 
1 1 1 -6  -28 32 o 20.303  3.2970  62.714    17.547    69.451    25.682    56.816    24.031    21.361  4.6229  19.245  4.7020  2.115591       6.593928 
1 1 1 -6  -28 33 o 13.986  3.4622  27.734    16.010    32.717    23.647    23.517    21.756    14.816  5.0113  13.156  4.7784  1.659932       6.924369 
1 1 1 -6  -28 34 o 9.1037  2.8372  -9.3799   14.612    -29.3440  20.716    10.387    20.614    7.2463  3.5034  10.961  4.4637  -3.714628      5.674377 
1 1 1 -6  -28 35 o 16.819  3.5629  44.812    17.716    33.379    24.938    56.459    25.171    14.816  5.1421  18.822  4.9331  -4.006381      7.125775 
1 1 1 -6  -28 36 o 13.864  3.5667  27.830    17.239    23.208    24.257    32.546    24.505    13.137  4.9922  14.591  5.0955  -1.454081      7.133440 
1 1 1 -6  -28 37 o 12.150  3.4407  16.671    17.014    18.088    23.762    15.179    24.373    12.307  4.8668  11.994  4.8651  0.3132963      6.881474 
1 1 1 -6  -28 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -28 39 o 15.983  3.7823  42.366    20.016    57.625    27.749    25.814    28.900    18.372  5.3280  13.594  5.3699  4.778446       7.564577 
1 1 1 -6  -28 40 o 15.288  3.1939  27.551    19.219    -22.4548  27.103    78.128    27.257    8.8437  4.2035  21.732  4.8099  -12.88856      6.387821 
1 1 1 -6  -28 41 o 6.5866  2.3187  -48.4823  16.105    -47.5693  21.877    -49.5628  23.797    6.4223  3.1985  6.7509  3.3579  -0.3286004     4.637469 
1 1 1 -6  -28 42 o 18.095  3.9586  63.134    21.270    55.804    29.813    70.733    30.356    16.949  5.6259  19.241  5.5705  -2.291763      7.917169 
1 1 1 -6  -27 1  o 10.800  2.8401  12.503    10.951    15.065    16.283    10.388    14.798    11.375  4.1337  10.224  3.8958  1.151261       5.680179 
1 1 1 -6  -27 2  o 65.020  2.1115  575.808   36.768    564.784   52.005    586.828   51.991    64.387  3.0155  65.653  2.9565  -1.266060      4.223058 
1 1 1 -6  -27 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -27 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -27 5  o 130.551 2.9095  2345.49   101.726   2398.84   144.929   2293.68   142.820   132.028 4.0983  129.074 4.1311  2.954407       5.819062 
1 1 1 -6  -27 6  o 43.396  2.0139  256.207   23.255    272.317   33.458    241.150   32.346    44.730  2.8069  42.062  2.8886  2.668228       4.027730 
1 1 1 -6  -27 7  o 76.309  2.1865  790.814   44.649    838.756   63.950    745.217   62.367    78.583  3.0383  74.034  3.1451  4.548355       4.372926 
1 1 1 -6  -27 8  o 27.175  2.2603  101.358   16.106    109.060   23.622    94.668    22.017    28.151  3.1890  26.200  3.2041  1.950573       4.520621 
1 1 1 -6  -27 9  o 65.015  2.0787  573.559   36.182    558.105   51.414    588.723   50.928    64.132  2.9930  65.898  2.8853  -1.766037      4.157303 
1 1 1 -6  -27 10 o 60.023  2.0488  489.158   32.857    511.954   46.550    466.526   46.384    61.471  2.8272  58.575  2.9661  2.896507       4.097695 
1 1 1 -6  -27 11 o 44.557  2.0192  270.198   23.960    277.256   33.713    262.994   34.058    45.160  2.8009  43.953  2.9094  1.207249       4.038497 
1 1 1 -6  -27 12 o 73.255  2.1391  728.153   41.971    724.506   59.278    731.820   59.434    73.069  3.0288  73.440  3.0215  -0.3701859     4.278182 
1 1 1 -6  -27 13 o 18.310  2.9174  47.752    13.982    52.408    19.886    43.202    19.661    19.223  3.9928  17.397  4.2547  1.826136       5.834823 
1 1 1 -6  -27 14 o 36.362  2.1344  180.525   20.595    177.156   28.729    184.087   29.540    36.014  3.0057  36.710  3.0314  -0.6962090     4.268874 
1 1 1 -6  -27 15 o 35.648  2.1519  173.632   20.333    164.389   28.442    183.293   29.078    34.659  3.0963  36.638  2.9892  -1.978291      4.303767 
1 1 1 -6  -27 16 o 74.925  2.1646  763.668   43.347    815.610   61.054    710.877   61.552    77.538  2.9398  72.311  3.1779  5.227295       4.329132 
1 1 1 -6  -27 17 o 20.093  2.8139  57.765    14.547    50.632    21.331    63.967    19.889    18.817  4.3231  21.368  3.6033  -2.550758      5.627844 
1 1 1 -6  -27 18 f 29.589  2.3342  120.642   18.183    121.528   25.836    119.774   25.595    29.696  3.3042  29.481  3.2979  0.2157192      4.668373 
1 1 1 -6  -27 19 o 77.248  2.2039  813.135   45.514    860.027   63.883    764.799   64.860    79.558  2.9979  74.938  3.2314  4.620834       4.407840 
1 1 1 -6  -27 20 o 85.315  2.2815  991.496   52.124    965.479   73.008    1018.54   74.443    84.168  3.2384  86.461  3.2145  -2.293167      4.562925 
1 1 1 -6  -27 21 o 29.868  2.3088  123.441   18.093    133.061   25.349    113.450   25.832    31.118  3.0818  28.618  3.4388  2.500080       4.617695 
1 1 1 -6  -27 22 o 70.630  2.1606  679.402   40.865    659.355   57.363    700.061   58.232    69.563  3.0786  71.697  3.0323  -2.133469      4.321210 
1 1 1 -6  -27 23 o 38.964  2.1221  208.024   21.976    208.583   30.992    207.459   31.166    39.020  2.9881  38.907  3.0142  0.1134720      4.244251 
1 1 1 -6  -27 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -27 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -27 26 o 14.639  5.4601  25.110    28.721    25.110    28.721    0.0000    0.0000    14.639  5.4601  ?       ?       ?              ?        
1 1 1 -6  -27 27 o 31.593  2.3153  139.084   19.232    128.995   27.553    148.671   26.858    30.402  3.4443  32.785  3.0951  -2.382847      4.630675 
1 1 1 -6  -27 28 f 13.960  3.0651  25.447    14.225    5.2939    20.593    43.842    19.674    10.589  4.4016  17.332  4.2667  -6.742685      6.130130 
1 1 1 -6  -27 29 o 15.807  3.3530  36.093    15.372    41.725    22.419    31.095    21.118    16.827  4.7607  14.787  4.7229  2.039436       6.705921 
1 1 1 -6  -27 30 o 50.526  2.1706  353.572   29.225    361.096   42.031    346.530   40.664    51.037  3.0892  50.015  3.0500  1.022038       4.341161 
1 1 1 -6  -27 31 o 24.062  3.0002  85.260    18.137    129.342   26.783    47.924    24.649    30.296  3.3570  17.828  4.9735  12.46762       6.000411 
1 1 1 -6  -27 32 o 22.524  3.0960  74.794    17.958    93.823    26.356    58.305    24.534    25.407  4.0056  19.641  4.7218  5.765886       6.191997 
1 1 1 -6  -27 33 o 8.8799  2.8017  -6.3548   13.590    0.8139    20.229    -12.2517  18.347    9.7890  4.2261  7.9707  3.6794  1.818245       5.603425 
1 1 1 -6  -27 34 o 18.730  3.3364  54.054    16.724    54.018    23.994    54.089    23.324    18.700  4.7740  18.760  4.6621  -0.5971909E-01 6.672834 
1 1 1 -6  -27 35 o 13.316  3.4246  23.891    16.052    30.984    22.654    16.740    22.747    14.440  4.9049  12.193  4.7806  2.246691       6.849269 
1 1 1 -6  -27 36 o 26.186  3.0215  104.089   20.351    94.548    29.285    112.999   28.301    24.786  4.5800  27.587  3.9422  -2.801641      6.042914 
1 1 1 -6  -27 37 o 8.1543  2.6940  -15.6158  14.623    -11.3841  20.188    -20.2865  21.209    8.3853  3.8669  7.9234  3.7521  0.4619260      5.388039 
1 1 1 -6  -27 38 o 30.593  2.9110  142.590   22.732    114.394   32.182    170.668   32.114    27.092  4.5993  34.093  3.5696  -7.001146      5.822011 
1 1 1 -6  -27 39 o 15.419  3.5062  35.012    18.772    62.249    26.489    7.5362    26.605    19.472  5.0398  11.365  4.8758  8.107389       7.012403 
1 1 1 -6  -27 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -27 41 o 12.242  3.4920  16.912    18.349    29.600    25.535    3.3649    26.384    13.769  5.1459  10.716  4.7221  3.052934       6.984097 
1 1 1 -6  -27 42 o 15.497  3.4773  33.804    20.266    77.336    29.228    -6.5058   28.125    20.990  5.2205  10.003  4.5951  10.98609       6.954698 
1 1 1 -6  -27 43 o 20.571  3.5360  78.436    22.246    125.584   31.433    31.126    31.487    27.529  4.4120  13.614  5.5271  13.91520       7.072076 
1 1 1 -6  -26 1  o 37.893  2.0431  195.859   20.546    210.437   29.361    181.871   28.762    39.301  2.8077  36.484  2.9690  2.816917       4.086294 
1 1 1 -6  -26 2  o 46.560  1.9878  294.790   24.667    303.425   34.961    286.230   34.810    47.251  2.7745  45.870  2.8473  1.380741       3.975586 
1 1 1 -6  -26 3  o 40.487  1.9929  223.314   21.447    213.745   30.631    232.516   30.038    39.611  2.9074  41.363  2.7265  -1.752281      3.985871 
1 1 1 -6  -26 4  o 51.419  1.9797  358.780   27.157    369.114   38.762    348.817   38.060    52.152  2.7850  50.687  2.8144  1.465450       3.959430 
1 1 1 -6  -26 5  o 22.394  2.4514  70.128    14.144    64.503    20.566    75.176    19.483    21.462  3.7120  23.327  3.2028  -1.865019      4.902766 
1 1 1 -6  -26 6  o 79.101  2.1600  848.713   45.723    820.470   65.264    875.936   64.076    77.784  3.1325  80.419  2.9747  -2.635254      4.319914 
1 1 1 -6  -26 7  o 76.788  2.1735  799.302   44.685    783.334   63.626    814.844   62.772    76.016  3.1250  77.560  3.0216  -1.544304      4.346907 
1 1 1 -6  -26 8  f 34.084  2.0597  158.438   18.494    181.727   26.559    136.517   25.768    36.570  2.7312  31.598  3.0839  4.971996       4.119455 
1 1 1 -6  -26 9  o 24.983  2.2643  85.982    14.787    90.464    20.989    81.565    20.835    25.657  3.1183  24.308  3.2840  1.348303       4.528627 
1 1 1 -6  -26 10 o 43.779  2.0010  260.932   23.248    284.536   32.751    236.958   33.006    45.819  2.6803  41.739  2.9717  4.079277       4.001912 
1 1 1 -6  -26 11 o 76.799  2.1555  799.171   44.292    755.093   62.518    843.591   62.760    74.650  3.1267  78.949  2.9679  -4.298813      4.310987 
1 1 1 -6  -26 12 o 37.614  2.0600  192.728   20.489    169.889   28.666    216.581   29.295    35.289  3.0631  39.940  2.7553  -4.650318      4.119983 
1 1 1 -6  -26 13 o 57.769  1.9899  451.092   30.782    435.936   43.168    466.770   43.905    56.777  2.8386  58.761  2.7896  -1.983383      3.979855 
1 1 1 -6  -26 14 o 53.566  2.0106  389.539   28.704    416.992   40.319    361.322   40.875    55.551  2.7097  51.581  2.9711  3.969887       4.021210 
1 1 1 -6  -26 15 f 124.768 2.7643  2124.67   92.354    2182.17   130.585   2067.12   130.631   126.490 3.8543  123.046 3.9636  3.443512       5.528639 
1 1 1 -6  -26 16 o 72.492  2.1068  711.667   40.901    711.914   57.365    711.412   58.334    72.512  2.9536  72.472  3.0051  0.3942871E-01  4.213586 
1 1 1 -6  -26 17 o 83.916  2.2344  955.213   50.218    955.354   70.582    955.069   71.464    83.929  3.1397  83.903  3.1800  0.2610779E-01  4.468783 
1 1 1 -6  -26 18 o 86.909  2.2582  1024.98   52.559    999.622   73.785    1051.10   74.886    85.812  3.2102  88.006  3.1769  -2.194221      4.516407 
1 1 1 -6  -26 19 o 73.916  2.1106  740.821   41.772    752.218   58.621    729.064   59.539    74.508  2.9374  73.325  3.0315  1.183441       4.221182 
1 1 1 -6  -26 20 o 21.949  2.6407  67.505    14.966    65.453    21.077    69.592    21.255    21.593  3.7820  22.305  3.6866  -0.7115726     5.281486 
1 1 1 -6  -26 21 o 56.865  2.0122  438.618   30.582    422.514   42.870    455.306   43.640    55.758  2.8804  57.972  2.8105  -2.214165      4.024316 
1 1 1 -6  -26 22 o 38.392  2.0909  201.406   21.302    212.524   30.025    190.136   30.227    39.490  2.8579  37.294  3.0528  2.195557       4.181769 
1 1 1 -6  -26 23 o 69.898  2.0857  663.483   39.048    655.969   55.058    671.087   55.387    69.497  2.9578  70.298  2.9415  -0.8016357     4.171452 
1 1 1 -6  -26 24 o 48.235  2.0430  317.246   26.242    335.414   37.233    299.311   36.993    49.634  2.8122  46.835  2.9641  2.799171       4.085904 
1 1 1 -6  -26 25 o 50.790  2.0286  351.897   27.467    340.106   39.007    363.493   38.685    49.924  2.9299  51.656  2.8065  -1.732334      4.057195 
1 1 1 -6  -26 26 o 71.596  2.1424  698.773   41.083    699.741   58.419    697.827   57.787    71.639  3.0445  71.553  3.0152  0.8587646E-01  4.284859 
1 1 1 -6  -26 27 o 23.674  3.2688  71.302    18.792    111.926   34.919    54.741    22.296    27.881  4.8522  19.468  4.3814  8.412376       6.537690 
1 1 1 -6  -26 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -26 29 o 28.435  2.4448  113.015   18.233    115.094   25.747    110.924   25.824    28.715  3.4145  28.155  3.4998  0.5601768      4.889530 
1 1 1 -6  -26 30 o 43.333  2.1386  259.268   24.625    252.740   35.557    265.285   34.136    42.763  3.1259  43.903  2.9195  -1.139496      4.277267 
1 1 1 -6  -26 31 o 15.325  3.4121  33.495    15.631    37.819    22.999    29.784    21.309    16.099  4.8971  14.551  4.7527  1.548305       6.824225 
1 1 1 -6  -26 32 o 25.571  2.8545  96.034    18.344    68.695    25.966    123.274   25.919    21.518  4.6416  29.624  3.3239  -8.106186      5.708969 
1 1 1 -6  -26 33 o 33.348  2.4579  158.373   21.365    135.776   30.561    179.974   29.880    30.824  3.7809  35.871  3.1416  -5.047359      4.915796 
1 1 1 -6  -26 34 o 10.672  3.1369  5.3907    15.044    -2.2474   21.072    13.332    21.486    9.6524  4.2377  11.691  4.6264  -2.038972      6.273850 
1 1 1 -6  -26 35 o 21.715  3.1916  73.764    18.376    39.001    26.044    108.224   25.931    16.041  5.2551  27.390  3.6235  -11.34909      6.383278 
1 1 1 -6  -26 36 o 13.323  3.3371  24.188    15.316    33.056    21.459    14.980    21.867    14.799  4.7645  11.846  4.6737  2.953276       6.674128 
1 1 1 -6  -26 37 o 18.865  3.5097  56.484    18.540    39.271    25.987    74.327    26.459    15.847  5.2522  21.884  4.6569  -6.037250      7.019435 
1 1 1 -6  -26 38 o 16.732  3.6196  45.038    18.003    53.344    25.151    36.312    25.780    18.206  5.0033  15.258  5.2321  2.948097       7.239284 
1 1 1 -6  -26 39 o 17.723  3.7077  51.681    19.090    61.269    27.058    42.179    26.937    19.336  5.1372  16.110  5.3476  3.226343       7.415377 
1 1 1 -6  -26 40 o 16.260  3.5078  40.691    18.535    15.730    25.787    67.369    26.659    12.179  4.9798  20.342  4.9418  -8.163142      7.015648 
1 1 1 -6  -26 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -26 42 o 16.743  3.5782  44.504    20.406    10.256    28.529    80.382    29.201    11.675  5.0295  21.811  5.0911  -10.13624      7.156492 
1 1 1 -6  -26 43 o 13.618  3.7804  29.390    20.141    30.554    27.595    28.064    29.466    13.739  5.2988  13.498  5.3933  0.2410755      7.560758 
1 1 1 -6  -26 44 o 14.411  3.9122  37.713    21.435    29.270    30.086    46.417    30.548    13.326  5.4054  15.497  5.6571  -2.170419      7.824442 
1 1 1 -6  -25 1  o 97.147  2.4239  1283.28   63.040    1247.49   89.636    1318.29   88.676    95.779  3.4940  98.515  3.3606  -2.736366      4.847810 
1 1 1 -6  -25 2  o 15.962  2.6873  36.050    11.322    37.370    16.259    34.807    15.776    16.245  3.8038  15.678  3.7970  0.5667858      5.374538 
1 1 1 -6  -25 3  o 106.385 2.5481  1538.35   72.599    1574.60   103.412   1503.11   101.944   107.628 3.5872  105.142 3.6199  2.485870       5.096233 
1 1 1 -6  -25 4  o 45.706  1.9671  283.521   23.940    270.299   34.034    296.470   33.680    44.630  2.8622  46.782  2.6993  -2.151718      3.934245 
1 1 1 -6  -25 5  o 67.951  2.0590  623.891   37.466    641.664   53.530    606.824   52.457    68.902  2.9006  67.000  2.9230  1.901428       4.117940 
1 1 1 -6  -25 6  o 31.326  2.0022  133.555   16.606    140.284   23.710    127.077   23.265    32.115  2.7839  30.537  2.8783  1.577524       4.004381 
1 1 1 -6  -25 7  o 43.082  1.9483  251.500   22.363    253.820   31.861    249.248   31.395    43.277  2.7631  42.887  2.7475  0.3904152      3.896579 
1 1 1 -6  -25 8  o 63.404  2.0269  543.028   34.389    573.510   48.858    513.100   48.412    65.180  2.7985  61.628  2.9328  3.552338       4.053805 
1 1 1 -6  -25 9  o 25.303  2.2650  88.086    14.944    96.737    21.237    79.601    21.033    26.586  3.0368  24.020  3.3612  2.566338       4.529911 
1 1 1 -6  -25 10 o 98.551  2.4069  1315.86   63.500    1370.15   90.022    1262.09   89.584    100.595 3.3411  96.507  3.4657  4.088287       4.813878 
1 1 1 -6  -25 11 o 59.296  1.9874  474.689   31.554    484.421   44.370    464.731   44.883    59.919  2.7646  58.674  2.8560  1.245007       3.974894 
1 1 1 -6  -25 12 o 25.913  2.3267  93.417    15.226    66.949    21.179    121.729   21.905    21.915  3.7426  29.912  2.7653  -7.997797      4.653363 
1 1 1 -6  -25 13 o 76.747  2.1215  796.010   43.598    811.291   61.373    780.444   61.944    77.500  2.9565  75.993  3.0432  1.506859       4.242911 
1 1 1 -6  -25 14 o 141.593 3.0154  2733.60   114.351   2774.43   161.683   2692.75   161.752   142.670 4.2310  140.516 4.2977  2.154678       6.030867 
1 1 1 -6  -25 15 o 99.654  2.3844  1345.23   63.643    1340.59   89.683    1349.94   90.330    99.483  3.3657  99.825  3.3784  -0.3419876     4.768744 
1 1 1 -6  -25 16 o 52.922  1.9603  378.724   27.676    363.882   38.507    394.582   39.804    51.845  2.7831  53.999  2.7613  -2.153030      3.920523 
1 1 1 -6  -25 17 o 42.707  1.9591  247.017   22.277    238.997   30.920    255.673   32.123    41.985  2.7650  43.429  2.7761  -1.444115      3.918153 
1 1 1 -6  -25 18 o 65.955  2.0197  587.334   35.660    561.505   49.714    614.710   51.180    64.457  2.8795  67.452  2.8328  -2.994499      4.039334 
1 1 1 -6  -25 19 o 33.147  2.0613  149.631   18.071    137.066   25.232    162.865   25.894    31.689  3.0087  34.604  2.8183  -2.914488      4.122520 
1 1 1 -6  -25 20 o 41.730  1.9646  236.465   21.826    241.460   30.704    231.363   31.031    42.187  2.7319  41.274  2.8239  0.9135780      3.929113 
1 1 1 -6  -25 21 o 53.565  1.9553  388.710   27.980    400.287   39.328    376.843   39.817    54.423  2.6979  52.708  2.8308  1.715309       3.910500 
1 1 1 -6  -25 22 o 55.015  1.9608  410.184   28.817    428.559   40.764    391.828   40.742    56.298  2.7033  53.732  2.8410  2.565853       3.921603 
1 1 1 -6  -25 23 o 70.976  2.0854  682.984   39.632    701.049   55.927    664.763   56.169    71.932  2.9027  70.020  2.9949  1.912445       4.170801 
1 1 1 -6  -25 24 o 56.895  2.0044  439.165   30.492    445.597   43.135    432.743   43.108    57.353  2.8080  56.438  2.8610  0.9151459      4.008757 
1 1 1 -6  -25 25 o 73.141  2.1267  726.476   41.662    735.898   59.030    717.124   58.808    73.618  2.9936  72.664  3.0215  0.9544678      4.253417 
1 1 1 -6  -25 26 o 26.807  2.4990  99.621    17.342    116.954   25.187    83.999    23.912    29.118  3.2870  24.495  3.7651  4.622314       4.998011 
1 1 1 -6  -25 27 o 30.343  2.2853  127.654   18.155    115.736   26.233    138.609   25.150    28.899  3.4577  31.786  2.9891  -2.886721      4.570605 
1 1 1 -6  -25 28 o 47.516  2.0621  308.120   26.103    316.842   37.703    300.091   36.174    48.157  2.9370  46.875  2.8953  1.281799       4.124182 
1 1 1 -6  -25 29 o 30.186  2.3906  128.751   18.543    106.184   27.226    148.274   25.324    27.511  3.7960  32.862  2.9071  -5.351578      4.781293 
1 1 1 -6  -25 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -25 31 o 34.930  2.3502  169.429   21.705    177.656   30.825    161.338   30.567    35.805  3.2495  34.055  3.3963  1.750134       4.700459 
1 1 1 -6  -25 32 o 20.522  3.0601  61.607    16.300    53.939    23.184    69.102    22.920    19.144  4.5824  21.900  4.0569  -2.755430      6.120170 
1 1 1 -6  -25 33 o 38.942  2.3026  212.396   23.469    251.827   33.447    174.152   32.940    42.681  2.9437  35.203  3.5415  7.477280       4.605141 
1 1 1 -6  -25 34 o 13.666  3.0148  18.302    15.509    51.390    22.073    -13.9581  21.795    18.581  4.4860  8.7507  4.0290  9.830518       6.029649 
1 1 1 -6  -25 35 o 32.560  2.5651  151.579   21.800    171.700   30.927    131.708   30.733    34.877  3.3519  30.243  3.8837  4.634214       5.130139 
1 1 1 -6  -25 36 o 16.528  3.4829  41.624    16.867    32.362    24.044    50.597    23.668    14.893  5.0532  18.162  4.7947  -3.269135      6.965898 
1 1 1 -6  -25 37 o 48.634  2.3275  336.282   30.106    322.006   42.805    350.257   42.351    47.529  3.3846  49.739  3.1959  -2.210308      4.654981 
1 1 1 -6  -25 38 f 10.863  3.2162  7.5487    15.717    5.4474    21.884    9.7873    22.587    10.535  4.4679  11.191  4.6273  -0.6558580     6.432308 
1 1 1 -6  -25 39 o 33.165  2.7099  162.943   23.556    152.628   33.579    172.936   33.052    31.978  4.0085  34.353  3.6479  -2.374920      5.419885 
1 1 1 -6  -25 40 f 11.525  3.3845  10.325    17.294    3.1409    23.458    18.877    25.596    10.439  4.5288  12.612  5.0308  -2.172205      6.769007 
1 1 1 -6  -25 41 o 13.508  3.6794  25.335    18.803    22.111    25.960    28.894    27.272    12.999  5.1038  14.017  5.3013  -1.018905      7.358826 
1 1 1 -6  -25 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -25 43 o 16.636  3.8617  48.595    20.282    58.657    28.363    38.066    29.013    18.248  5.4132  15.023  5.5088  3.225211       7.723314 
1 1 1 -6  -25 44 o 13.009  3.7946  23.809    21.431    25.919    29.203    21.346    31.548    13.184  5.3333  12.834  5.3992  0.3503628      7.589143 
1 1 1 -6  -25 45 o 12.571  3.6961  23.631    20.534    24.121    28.520    23.103    29.587    12.599  5.2037  12.544  5.2503  0.5471611E-01  7.392175 
1 1 1 -6  -24 1  o 48.439  1.9548  317.692   25.249    328.698   35.972    307.004   35.449    49.274  2.7363  47.604  2.7924  1.669521       3.909571 
1 1 1 -6  -24 2  o 41.974  1.9306  238.772   21.578    232.753   30.632    244.701   30.402    41.438  2.7759  42.510  2.6839  -1.071304      3.861190 
1 1 1 -6  -24 3  o 109.605 2.5534  1628.54   74.939    1684.37   106.729   1574.26   105.244   111.470 3.5747  107.739 3.6470  3.731514       5.106754 
1 1 1 -6  -24 4  o 87.327  2.2524  1030.57   52.681    1043.47   75.082    1018.07   73.936    87.864  3.1903  86.791  3.1805  1.073654       4.504849 
1 1 1 -6  -24 5  o 63.157  2.0104  538.204   33.992    523.226   48.342    552.853   47.808    62.279  2.8980  64.035  2.7874  -1.756298      4.020894 
1 1 1 -6  -24 6  o 64.327  2.0197  558.041   34.793    550.731   49.477    565.194   48.938    63.905  2.8905  64.749  2.8218  -0.8442230     4.039478 
1 1 1 -6  -24 7  o 75.170  2.1113  762.066   42.508    773.244   60.487    751.158   59.749    75.715  2.9825  74.625  2.9892  1.090363       4.222692 
1 1 1 -6  -24 8  f 79.544  2.1675  853.576   46.166    882.569   65.534    825.013   65.045    80.892  3.0246  78.195  3.1056  2.697128       4.335098 
1 1 1 -6  -24 9  o 50.248  1.9450  341.080   26.076    346.138   36.951    336.062   36.805    50.623  2.7353  49.873  2.7660  0.7492523      3.890075 
1 1 1 -6  -24 10 o 153.091 3.1995  3186.80   131.190   3164.22   185.848   3209.23   185.216   152.539 4.5487  153.644 4.5006  -1.105576      6.398951 
1 1 1 -6  -24 11 o 83.502  2.1972  940.470   49.142    942.107   69.354    938.819   69.640    83.577  3.0981  83.428  3.1165  0.1494904      4.394390 
1 1 1 -6  -24 12 o 54.842  1.9531  406.483   28.567    430.120   39.980    381.827   40.832    56.527  2.6406  53.157  2.8785  3.369724       3.906248 
1 1 1 -6  -24 13 o 57.153  1.9475  439.776   29.806    426.140   41.772    453.919   42.542    56.249  2.7726  58.057  2.7357  -1.808762      3.895008 
1 1 1 -6  -24 14 o 68.589  2.0342  635.100   37.298    672.126   52.336    596.887   53.169    70.640  2.7661  66.538  2.9833  4.102165       4.068339 
1 1 1 -6  -24 15 o 56.544  1.9323  430.346   29.255    418.053   40.734    443.441   42.041    55.711  2.7298  57.377  2.7355  -1.666054      3.864568 
1 1 1 -6  -24 16 o 51.381  1.9508  357.029   26.724    376.845   37.347    336.235   38.257    52.900  2.6357  49.861  2.8768  3.038971       3.901686 
1 1 1 -6  -24 17 o 115.827 2.6076  1816.82   80.896    1812.17   113.919   1821.55   114.896   115.681 3.6766  115.972 3.6988  -0.2911301     5.215204 
1 1 1 -6  -24 18 o 84.418  2.1919  962.351   49.556    964.868   69.604    959.763   70.572    84.536  3.0740  84.301  3.1255  0.2354050      4.383825 
1 1 1 -6  -24 19 o 52.113  1.9316  367.116   26.863    364.881   37.592    369.448   38.402    51.955  2.7107  52.272  2.7525  -0.3175011     3.863209 
1 1 1 -6  -24 20 o 45.047  1.9194  274.682   23.048    275.833   32.350    273.496   32.844    45.148  2.6873  44.946  2.7413  0.2017441      3.838773 
1 1 1 -6  -24 21 o 103.093 2.4374  1440.72   67.304    1445.34   94.882    1436.05   95.484    103.265 3.4304  102.921 3.4637  0.3446732      4.874898 
1 1 1 -6  -24 22 o 125.622 2.7931  2149.57   93.970    2106.66   132.641   2192.80   133.147   124.346 3.9825  126.898 3.9173  -2.552025      5.586217 
1 1 1 -6  -24 23 o 22.410  2.5864  70.368    14.890    60.719    21.138    79.872    20.979    20.777  3.9425  24.042  3.3487  -3.265182      5.172753 
1 1 1 -6  -24 24 o 20.589  2.6762  60.231    14.072    77.392    20.064    43.615    19.742    23.671  3.2504  17.507  4.2523  6.163239       5.352322 
1 1 1 -6  -24 25 o 59.920  2.0006  486.217   32.095    473.166   45.582    499.049   45.198    59.111  2.8790  60.729  2.7787  -1.618156      4.001169 
1 1 1 -6  -24 26 o 27.228  2.3307  101.956   16.519    118.531   24.045    87.140    22.734    29.391  3.1013  25.064  3.4802  4.326620       4.661483 
1 1 1 -6  -24 27 o 55.445  2.0337  419.008   30.020    390.156   43.251    445.829   41.702    53.516  3.0297  57.373  2.7137  -3.857067      4.067348 
1 1 1 -6  -24 28 o 26.611  2.4429  99.765    16.657    82.924    24.263    114.777   22.908    24.310  3.8549  28.912  3.0019  -4.601637      4.885837 
1 1 1 -6  -24 29 o 10.939  2.8735  7.7906    12.909    -12.1878  18.898    25.265    17.674    8.2869  3.7918  13.590  4.3186  -5.303331      5.747025 
1 1 1 -6  -24 30 o 46.355  2.0472  293.718   25.265    290.741   36.454    296.469   35.047    46.105  2.9677  46.605  2.8209  -0.5002823     4.094496 
1 1 1 -6  -24 31 o 18.464  3.1684  49.419    15.493    49.986    22.534    48.910    21.337    18.550  4.5660  18.378  4.3941  0.1720619      6.336851 
1 1 1 -6  -24 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -24 33 o 32.426  2.4372  146.835   20.842    147.286   29.603    146.391   29.350    32.472  3.4567  32.380  3.4366  0.9218597E-01  4.874323 
1 1 1 -6  -24 34 o 80.785  2.3457  903.888   50.744    882.797   71.848    924.880   71.679    79.810  3.3610  81.761  3.2731  -1.951324      4.691393 
1 1 1 -6  -24 35 o 15.704  3.0080  31.364    16.297    67.859    22.996    -5.4629   23.100    21.568  4.1311  9.8412  4.3733  11.72631       6.015981 
1 1 1 -6  -24 36 o 13.939  3.4565  25.601    16.509    36.446    23.159    14.395    23.540    15.685  4.9390  12.192  4.8368  3.492716       6.912933 
1 1 1 -6  -24 37 o 9.6346  2.9901  -2.1641   14.824    -4.8404   20.434    0.8093    21.539    9.2068  4.1010  10.062  4.3524  -0.8556452     5.980111 
1 1 1 -6  -24 38 o 14.076  3.3223  23.295    16.849    -1.0866   23.143    50.791    24.576    10.119  4.4419  18.033  4.9416  -7.913487      6.644541 
1 1 1 -6  -24 39 o 36.071  2.6507  190.155   25.230    193.847   35.616    186.436   35.744    36.465  3.6977  35.677  3.7989  0.7878494      5.301350 
1 1 1 -6  -24 40 o 21.406  3.4585  74.782    20.341    107.612   28.715    41.717    28.817    26.684  4.1527  16.129  5.5317  10.55436       6.916984 
1 1 1 -6  -24 41 o 20.857  3.6291  71.102    20.228    61.290    28.115    81.633    29.126    19.210  5.2943  22.504  4.9652  -3.294289      7.258295 
1 1 1 -6  -24 42 o 13.999  3.7638  28.761    19.581    32.203    26.563    24.665    28.979    14.436  5.2745  13.561  5.3708  0.8755770      7.527619 
1 1 1 -6  -24 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -24 44 o 10.045  3.2391  -9.4475   19.519    -24.0978  26.268    8.6176    29.169    8.5582  4.0874  11.531  5.0260  -2.973108      6.478269 
1 1 1 -6  -24 45 o 18.173  3.7584  60.920    21.746    90.296    30.312    29.769    31.214    22.707  5.1076  13.639  5.5150  9.068061       7.516881 
1 1 1 -6  -23 1  o 32.295  2.0118  141.861   17.190    132.329   24.336    151.351   24.283    31.186  2.9484  33.404  2.7381  -2.217997      4.023671 
1 1 1 -6  -23 2  o 12.489  2.6727  20.668    10.313    10.003    14.939    30.380    14.255    10.278  3.9148  14.700  3.6399  -4.421659      5.345464 
1 1 1 -6  -23 3  o 17.011  2.5326  40.596    11.222    52.199    16.194    29.877    15.565    19.417  3.2271  14.605  3.9040  4.812264       5.065101 
1 1 1 -6  -23 4  o 30.965  1.9773  130.132   16.221    131.621   22.878    128.627   23.003    31.148  2.7711  30.781  2.8214  0.3664398      3.954632 
1 1 1 -6  -23 5  f 62.669  1.9849  528.508   33.305    549.521   47.457    508.115   46.752    63.900  2.7727  61.438  2.8410  2.462029       3.969799 
1 1 1 -6  -23 6  o 10.569  2.5892  11.882    9.7102    1.0354    14.092    21.687    13.399    8.5569  3.6047  12.581  3.7178  -4.023726      5.178432 
1 1 1 -6  -23 7  o 105.588 2.4761  1503.53   70.024    1529.07   99.569    1478.54   98.496    106.477 3.4912  104.699 3.5123  1.778404       4.952259 
1 1 1 -6  -23 8  o 34.663  1.9903  162.758   18.308    167.532   25.765    157.888   26.021    35.188  2.7557  34.138  2.8725  1.049839       3.980596 
1 1 1 -6  -23 9  o 61.497  1.9682  508.706   32.415    516.324   45.700    500.992   45.986    61.963  2.7535  61.031  2.8131  0.9324112      3.936426 
1 1 1 -6  -23 10 o 63.575  1.9804  543.691   33.715    552.303   47.446    534.907   47.919    64.087  2.7640  63.063  2.8369  1.024227       3.960743 
1 1 1 -6  -23 11 o 97.726  2.3463  1286.52   61.415    1284.16   86.606    1288.91   87.104    97.637  3.3117  97.815  3.3246  -0.1781769     4.692575 
1 1 1 -6  -23 12 o 95.361  2.3179  1225.12   59.190    1248.97   83.411    1200.93   84.006    96.303  3.2337  94.418  3.3217  1.885002       4.635782 
1 1 1 -6  -23 13 o 144.446 3.0229  2821.80   116.954   2826.92   165.129   2816.64   165.668   144.581 4.2640  144.311 4.2860  0.2704620      6.045805 
1 1 1 -6  -23 14 o 90.605  2.2468  1105.19   54.506    1063.26   76.427    1148.59   77.758    88.852  3.2114  92.359  3.1432  -3.507706      4.493647 
1 1 1 -6  -23 15 o 12.638  2.9871  19.139    12.490    8.5127    17.791    29.467    17.539    10.666  4.2132  14.611  4.2354  -3.945047      5.974125 
1 1 1 -6  -23 16 o 199.833 3.9577  5445.88   211.826   5381.59   299.094   5510.58   300.044   198.633 5.6217  201.032 5.5722  -2.398407      7.915376 
1 1 1 -6  -23 17 o 115.633 2.5939  1805.68   80.329    1825.66   113.137   1785.36   114.072   116.288 3.6323  114.979 3.7040  1.309105       5.187797 
1 1 1 -6  -23 18 o 52.670  1.9239  374.150   27.039    369.703   37.628    378.897   38.881    52.350  2.6927  52.991  2.7488  -0.6407051     3.847898 
1 1 1 -6  -23 19 f 134.459 2.8722  2449.01   103.427   2485.93   145.861   2411.69   146.678   135.494 4.0191  133.424 4.1043  2.069870       5.744430 
1 1 1 -6  -23 20 o 31.712  2.0779  137.225   17.333    153.508   24.470    120.831   24.554    33.654  2.7384  29.770  3.1260  3.883482       4.155801 
1 1 1 -6  -23 21 o 41.587  1.9201  233.992   21.262    225.732   29.995    242.334   30.142    40.840  2.7582  42.335  2.6719  -1.495071      3.840153 
1 1 1 -6  -23 22 o 49.053  1.9174  325.313   25.087    334.173   35.503    316.478   35.453    49.728  2.6753  48.377  2.7473  1.350281       3.834728 
1 1 1 -6  -23 23 o 72.630  2.0605  712.113   40.083    720.558   56.818    703.746   56.556    73.061  2.9034  72.199  2.9245  0.8615112      4.121027 
1 1 1 -6  -23 24 o 104.811 2.4527  1489.53   68.840    1529.67   97.623    1449.83   97.089    106.230 3.4310  103.393 3.5058  2.836906       4.905346 
1 1 1 -6  -23 25 o 23.926  2.4248  79.826    14.944    69.453    21.477    89.562    20.806    22.312  3.7250  25.540  3.1055  -3.227274      4.849699 
1 1 1 -6  -23 26 o 38.319  2.0064  199.467   20.437    208.092   29.386    191.388   28.441    39.128  2.8229  37.510  2.8522  1.617630       4.012896 
1 1 1 -6  -23 27 o 12.135  2.9496  17.543    12.142    7.6971    17.548    26.586    16.817    10.411  4.1613  13.859  4.1813  -3.448241      5.899162 
1 1 1 -6  -23 28 o 46.292  1.9951  290.965   24.599    307.705   35.481    275.472   34.134    47.583  2.7962  45.001  2.8465  2.581955       3.990132 
1 1 1 -6  -23 29 o 63.033  2.0701  539.283   34.935    539.335   50.142    539.235   48.701    63.024  2.9704  63.043  2.8841  -0.1884842E-01 4.140198 
1 1 1 -6  -23 30 o 8.8113  2.6851  -2.8014   11.781    5.1754    16.934    -10.2832  16.400    9.8543  4.0331  7.7684  3.5460  2.085897       5.370296 
1 1 1 -6  -23 31 o 12.213  3.1655  17.118    13.548    16.601    19.278    17.622    19.043    12.142  4.4843  12.283  4.4692  -0.1416702     6.331085 
1 1 1 -6  -23 32 o 48.552  2.1175  323.383   27.342    309.424   39.393    336.359   37.980    47.493  3.1139  49.611  2.8704  -2.118843      4.235055 
1 1 1 -6  -23 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -23 34 o 21.634  3.1358  68.565    17.556    79.720    24.597    56.981    25.066    23.604  4.0356  19.665  4.8008  3.939119       6.271648 
1 1 1 -6  -23 35 o 39.298  2.3112  214.777   24.092    216.172   34.742    213.485   33.437    39.397  3.3233  39.199  3.2129  0.1980247      4.622443 
1 1 1 -6  -23 36 o 9.7615  3.0309  -2.9590   15.259    0.0476    20.602    -6.6128   22.712    9.8764  4.2644  9.6466  4.3082  0.2298183      6.061841 
1 1 1 -6  -23 37 o 11.626  3.2952  10.692    16.097    19.909    21.920    -0.0980   23.715    12.782  4.7695  10.471  4.5481  2.310715       6.590384 
1 1 1 -6  -23 38 o 20.159  3.5175  62.894    18.928    68.597    26.315    56.782    27.245    21.216  4.7491  19.101  5.1900  2.115644       7.034929 
1 1 1 -6  -23 39 o 16.455  3.4237  39.924    18.011    65.932    25.514    14.091    25.428    20.671  4.7127  12.239  4.9677  8.431778       6.847499 
1 1 1 -6  -23 40 o 16.621  3.2980  40.468    18.200    74.426    25.634    5.9459    25.846    21.981  4.5052  11.260  4.8176  10.72131       6.595957 
1 1 1 -6  -23 41 o 12.556  3.5962  17.139    18.786    19.156    25.218    14.625    28.158    12.661  5.0115  12.451  5.1590  0.2103109      7.192365 
1 1 1 -6  -23 42 o 15.573  3.8330  39.005    20.031    47.858    27.364    28.783    29.402    16.968  5.3716  14.179  5.4693  2.789341       7.665956 
1 1 1 -6  -23 43 o 14.345  3.8420  30.793    20.209    27.006    27.275    35.403    30.093    13.710  5.2734  14.980  5.5887  -1.270540      7.683923 
1 1 1 -6  -23 44 o 19.909  4.1538  70.756    23.912    57.013    32.501    86.975    35.308    17.794  5.8725  22.024  5.8763  -4.230614      8.307676 
1 1 1 -6  -23 45 o 23.482  4.0610  100.071   25.382    91.934    35.640    108.444   36.156    22.293  5.8830  24.671  5.5997  -2.377844      8.121961 
1 1 1 -6  -23 46 o 13.897  3.8177  30.277    22.106    52.900    30.781    6.1805    31.768    16.503  5.7137  11.290  5.0650  5.212331       7.635497 
1 1 1 -6  -22 1  o 28.394  2.0499  110.329   15.137    131.521   21.566    89.752    21.251    31.167  2.6074  25.621  3.1640  5.546276       4.099884 
1 1 1 -6  -22 2  o 107.121 2.4947  1548.85   71.496    1473.85   101.561   1622.54   100.667   104.527 3.6275  109.716 3.4255  -5.188759      4.989306 
1 1 1 -6  -22 3  o 84.378  2.1859  958.039   49.398    966.392   70.380    949.929   69.350    84.739  3.1008  84.016  3.0817  0.7223816      4.371735 
1 1 1 -6  -22 4  o 36.747  1.9035  182.755   18.518    203.902   26.366    162.169   26.015    38.877  2.5461  34.617  2.8304  4.259129       3.807086 
1 1 1 -6  -22 5  o 91.774  2.2859  1133.35   56.184    1129.79   79.942    1136.82   78.980    91.628  3.2573  91.920  3.2079  -0.2912979     4.571704 
1 1 1 -6  -22 6  o 83.999  2.1859  948.798   49.180    954.839   69.800    942.842   69.304    84.264  3.0926  83.733  3.0901  0.5307693      4.371843 
1 1 1 -6  -22 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 17 o 70.786  2.5233  644.242   43.947    599.064   51.963    757.738   82.361    66.753  2.9062  74.819  4.1258  -8.065208      5.046616 
1 1 1 -6  -22 18 o 96.779  2.3055  1260.79   59.761    1260.24   84.148    1261.34   84.887    96.760  3.2468  96.798  3.2741  -0.3781891E-01 4.611004 
1 1 1 -6  -22 19 o 64.339  1.9678  556.449   33.899    536.512   47.553    577.049   48.338    63.165  2.8107  65.513  2.7547  -2.348072      3.935507 
1 1 1 -6  -22 20 o 43.032  1.9135  250.806   21.849    274.235   30.724    226.837   31.076    45.098  2.5540  40.965  2.8500  4.132942       3.826907 
1 1 1 -6  -22 21 o 13.141  2.8007  21.575    11.579    36.514    16.747    7.8915    16.028    16.119  3.9172  10.162  4.0039  5.956801       5.601397 
1 1 1 -6  -22 22 o 61.469  1.9491  508.626   32.085    520.149   45.422    497.151   45.328    62.168  2.7278  60.771  2.7847  1.396160       3.898138 
1 1 1 -6  -22 23 o 46.761  1.9691  297.635   24.339    258.062   34.799    335.533   34.054    43.653  2.9943  49.870  2.5581  -6.217014      3.938220 
1 1 1 -6  -22 24 o 91.176  2.2848  1122.72   55.793    1142.22   79.309    1103.62   78.504    91.962  3.2198  90.389  3.2426  1.572815       4.569576 
1 1 1 -6  -22 25 o 60.069  1.9765  486.496   31.792    494.198   45.623    479.227   44.327    60.528  2.8141  59.610  2.7763  0.9181328      3.953063 
1 1 1 -6  -22 26 o 72.951  2.0727  719.598   40.463    697.998   57.875    740.252   56.594    71.862  3.0068  74.039  2.8538  -2.176735      4.145437 
1 1 1 -6  -22 27 o 43.231  1.9816  253.137   22.801    263.713   33.111    243.599   31.445    44.088  2.8186  42.373  2.7862  1.715412       3.963240 
1 1 1 -6  -22 28 o 73.056  2.1034  722.857   41.140    719.906   59.006    725.649   57.388    72.898  3.0220  73.214  2.9264  -0.3162003     4.206720 
1 1 1 -6  -22 29 o 35.988  2.1782  180.040   20.306    141.671   29.162    216.153   28.292    32.084  3.4475  39.891  2.6632  -7.806950      4.356318 
1 1 1 -6  -22 30 o 40.856  2.0741  227.244   22.524    241.245   32.529    214.347   31.220    42.076  2.9041  39.636  2.9621  2.440517       4.148224 
1 1 1 -6  -22 31 o 14.370  3.1820  28.355    13.747    23.090    19.616    33.438    19.271    13.371  4.5640  15.369  4.4352  -1.997943      6.364059 
1 1 1 -6  -22 32 o 28.108  2.6628  111.306   18.835    147.061   27.279    78.731    26.037    32.697  3.1539  23.519  4.2913  9.178303       5.325635 
1 1 1 -6  -22 33 o 24.843  2.8137  87.366    18.061    82.957    25.804    91.601    25.288    24.165  4.1354  25.521  3.8167  -1.355984      5.627468 
1 1 1 -6  -22 34 o 51.884  3.0920  369.685   42.775    0.0000    0.0000    369.685   42.775    ?       ?       51.884  3.0920  ?              ?        
1 1 1 -6  -22 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 36 o 10.981  3.1288  6.6914    14.772    -4.9851   20.871    18.411    20.910    9.4223  4.1735  12.541  4.6625  -3.118359      6.257539 
1 1 1 -6  -22 37 o 32.141  2.6637  147.048   22.437    137.450   31.851    156.502   31.612    31.010  3.9224  33.272  3.6049  -2.261007      5.327342 
1 1 1 -6  -22 38 o 29.630  2.8670  127.296   22.108    135.135   31.206    119.397   31.327    30.647  3.8891  28.614  4.2136  2.032772       5.734054 
1 1 1 -6  -22 39 o 18.240  3.5814  50.503    18.633    34.791    25.417    68.761    27.398    15.349  5.1955  21.130  4.9309  -5.781288      7.162865 
1 1 1 -6  -22 40 f 27.545  3.1337  114.578   22.254    123.278   31.153    105.512   31.801    28.810  4.1574  26.279  4.6901  2.531687       6.267440 
1 1 1 -6  -22 41 o 14.333  3.4302  24.336    17.974    -1.7299   24.464    54.911    26.495    10.214  4.5214  18.451  5.1596  -8.237782      6.860417 
1 1 1 -6  -22 42 o 10.328  3.1818  -0.9542   17.248    12.662    23.598    -16.5722  25.273    11.592  4.7545  9.0637  4.2296  2.528550       6.363603 
1 1 1 -6  -22 43 o 13.748  3.7622  25.961    20.063    34.302    27.786    16.876    28.999    14.820  5.3976  12.676  5.2424  2.143767       7.524453 
1 1 1 -6  -22 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -22 45 o 17.070  3.4442  43.580    21.560    93.078    30.269    -7.3937   30.717    23.671  4.9341  10.470  4.8067  13.20081       6.888337 
1 1 1 -6  -22 46 o 16.124  3.7402  39.111    22.500    -0.8223   30.790    84.874    32.961    10.782  4.8974  21.465  5.6543  -10.68245      7.480364 
1 1 1 -6  -22 47 o 31.596  3.5245  175.486   28.811    167.636   40.621    183.432   40.871    30.673  5.1252  32.520  4.8396  -1.847153      7.049092 
1 1 1 -6  -21 1  o 112.454 3.1718  1711.50   89.634    1718.04   109.415   1698.16   156.292   112.949 3.6167  111.960 5.2117  0.9885941      6.343701 
1 1 1 -6  -21 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -21 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -21 4  o 44.647  1.9059  268.582   22.680    276.396   32.233    260.918   31.919    45.295  2.6686  43.999  2.7218  1.296310       3.811773 
1 1 1 -6  -21 5  o 85.623  2.2046  984.888   50.556    1001.81   71.833    968.275   71.166    86.353  3.1057  84.893  3.1298  1.459877       4.409161 
1 1 1 -6  -21 6  o 38.350  1.9229  198.407   19.624    197.883   27.830    198.926   27.675    38.298  2.7309  38.401  2.7080  -0.1035156     3.845892 
1 1 1 -6  -21 7  o 54.825  1.9240  404.042   28.189    387.786   39.740    420.503   39.991    53.677  2.7736  55.974  2.6674  -2.297455      3.848083 
1 1 1 -6  -21 8  o 84.860  2.1825  967.133   49.607    969.244   69.999    965.004   70.311    84.954  3.0763  84.766  3.0968  0.1875763      4.365019 
1 1 1 -6  -21 9  o 62.996  1.9667  532.467   33.175    513.626   46.460    552.066   47.385    61.859  2.8041  64.134  2.7584  -2.275402      3.933438 
1 1 1 -6  -21 10 o 53.147  1.9550  379.177   27.753    358.507   38.560    401.389   39.974    51.606  2.8002  54.688  2.7289  -3.082138      3.910000 
1 1 1 -6  -21 11 o 196.071 3.8611  5192.79   202.746   5089.31   286.378   5296.78   287.077   194.098 5.5085  198.044 5.4119  -3.946289      7.722129 
1 1 1 -6  -21 12 f 125.902 2.7249  2132.47   91.869    2177.24   129.553   2087.19   130.296   127.238 3.8014  124.565 3.9052  2.673241       5.449867 
1 1 1 -6  -21 13 o 61.415  1.9510  505.760   32.020    459.934   44.534    554.807   46.072    58.533  2.8405  64.296  2.6753  -5.762730      3.901994 
1 1 1 -6  -21 14 o 184.179 3.6575  4579.85   180.402   4474.42   254.579   4686.20   255.678   182.036 5.2213  186.322 5.1232  -4.286575      7.314979 
1 1 1 -6  -21 15 o 117.376 2.5672  1853.16   80.692    1885.92   113.643   1819.84   114.596   118.429 3.5826  116.323 3.6780  2.105927       5.134437 
1 1 1 -6  -21 16 o 140.475 2.9502  2657.79   111.001   2634.58   156.505   2681.29   157.457   139.857 4.1779  141.094 4.1664  -1.236679      5.900318 
1 1 1 -6  -21 17 o 150.525 3.0679  3054.23   123.687   3057.53   174.453   3050.90   175.391   150.610 4.3245  150.440 4.3527  0.1695557      6.135716 
1 1 1 -6  -21 18 f 205.004 4.0252  5695.55   221.025   5668.77   312.165   5722.47   312.988   204.519 5.6985  205.490 5.6865  -0.9716492     8.050463 
1 1 1 -6  -21 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -21 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -21 21 o 98.078  3.4297  1305.59   89.676    1327.19   122.969   1281.06   131.058   99.055  4.6348  97.101  5.0566  1.954460       6.859305 
1 1 1 -6  -21 22 o 10.885  2.5056  3.5319    11.559    -27.2440  16.542    32.895    16.158    6.4480  3.1208  15.322  3.9208  -8.874240      5.011206 
1 1 1 -6  -21 23 o 66.413  1.9834  593.196   35.277    606.925   50.303    579.911   49.485    67.170  2.7960  65.656  2.8139  1.513741       3.966825 
1 1 1 -6  -21 24 o 40.350  1.9705  220.516   21.125    212.503   30.451    227.951   29.331    39.625  2.8890  41.076  2.6807  -1.451099      3.941082 
1 1 1 -6  -21 25 o 109.527 2.5139  1620.98   73.737    1664.15   104.922   1578.85   103.649   110.974 3.5298  108.079 3.5804  2.895439       5.027835 
1 1 1 -6  -21 26 o 77.414  2.1241  808.455   44.034    813.417   63.052    803.730   61.522    77.641  3.0319  77.188  2.9757  0.4530869      4.248251 
1 1 1 -6  -21 27 o 85.547  2.2201  988.570   50.853    1026.52   72.837    952.482   71.030    87.153  3.1202  83.941  3.1592  3.211304       4.440290 
1 1 1 -6  -21 28 o 54.705  1.9927  404.974   29.117    397.877   41.826    411.647   40.558    54.190  2.8921  55.220  2.7421  -1.030499      3.985367 
1 1 1 -6  -21 29 o 56.584  2.0106  433.073   30.401    452.863   43.748    414.590   42.278    57.874  2.8222  55.294  2.8644  2.579166       4.021148 
1 1 1 -6  -21 30 o 65.616  2.0787  583.405   36.524    579.895   52.144    586.786   51.177    65.413  2.9761  65.819  2.9029  -0.4064026     4.157390 
1 1 1 -6  -21 31 o 70.524  2.1563  675.397   40.727    672.583   57.972    678.139   57.228    70.371  3.0757  70.678  3.0230  -0.3068161     4.312562 
1 1 1 -6  -21 32 f 7.2004  2.4076  -19.6815  12.265    -18.1852  16.938    -21.3307  17.783    7.2018  3.3930  7.1989  3.4168  0.2909660E-02  4.815270 
1 1 1 -6  -21 33 o 69.637  2.1663  660.387   40.401    669.626   57.702    651.502   56.585    70.111  3.0727  69.163  3.0545  0.9484634      4.332586 
1 1 1 -6  -21 34 o 76.287  2.2645  795.763   46.261    792.422   65.996    798.991   64.866    76.113  3.2372  76.462  3.1673  -0.3490295     4.528915 
1 1 1 -6  -21 35 o 27.957  2.7665  110.140   20.142    113.496   28.965    106.997   28.028    28.375  3.9155  27.539  3.9095  0.8357410      5.533055 
1 1 1 -6  -21 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -21 37 o 9.2174  2.8618  -18.3122  15.148    -43.6811  20.432    12.647    22.571    6.5135  3.2170  11.921  4.7340  -5.407784      5.723669 
1 1 1 -6  -21 38 o 27.152  2.9448  107.815   20.394    87.030    28.975    128.223   28.711    24.253  4.6292  30.051  3.6413  -5.797869      5.889660 
1 1 1 -6  -21 39 o 12.674  3.3604  18.311    15.963    28.228    22.118    7.5286    23.062    14.152  4.8464  11.197  4.6565  2.955086       6.720851 
1 1 1 -6  -21 40 o 13.966  3.2080  20.021    16.783    -10.5741  23.164    53.830    24.350    9.2584  4.2216  18.673  4.8316  -9.414886      6.416081 
1 1 1 -6  -21 41 o 9.9720  3.1474  -4.1663   17.015    -4.0503   22.778    -4.3128   25.592    9.7047  4.3257  10.239  4.5731  -0.5347471     6.294842 
1 1 1 -6  -21 42 o 27.485  3.3350  119.190   23.157    151.173   32.675    86.917    32.823    31.914  3.9039  23.056  5.4083  8.857622       6.670091 
1 1 1 -6  -21 43 o 14.555  3.7681  32.180    19.272    35.896    26.468    27.987    28.116    15.089  5.2941  14.021  5.3635  1.067481       7.536204 
1 1 1 -6  -21 44 o 13.441  3.7249  24.248    19.451    20.307    26.154    29.126    29.098    12.757  5.0864  14.126  5.4432  -1.369413      7.449778 
1 1 1 -6  -21 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -21 46 o 12.344  3.6205  18.156    19.625    15.921    27.120    20.612    28.435    12.018  5.0280  12.671  5.2106  -0.6530142     7.240951 
1 1 1 -6  -21 47 o 11.900  3.4766  8.1810    19.388    -15.8566  25.376    41.889    30.050    8.7611  4.1353  15.039  5.5898  -6.277711      6.953193 
1 1 1 -6  -20 1  o 130.229 2.8160  2282.58   98.219    2269.03   139.523   2295.88   138.290   129.842 4.0118  130.617 3.9528  -0.7754059     5.631991 
1 1 1 -6  -20 2  o 111.045 2.5268  1657.27   75.148    1690.90   106.855   1624.35   105.705   112.162 3.5568  109.929 3.5900  2.233269       5.053625 
1 1 1 -6  -20 3  o 250.874 4.8242  8534.58   324.031   8841.54   459.372   8230.59   457.134   255.412 6.7148  246.335 6.9283  9.076920       9.648335 
1 1 1 -6  -20 4  o 42.359  1.8907  241.726   21.316    226.952   29.948    256.896   30.347    41.036  2.7405  43.683  2.6056  -2.646729      3.781407 
1 1 1 -6  -20 5  o 80.269  2.1732  865.141   46.705    839.944   66.210    890.096   65.892    79.102  3.1250  81.436  3.0209  -2.333542      4.346368 
1 1 1 -6  -20 6  o 64.140  1.9509  551.927   33.515    559.291   47.503    544.627   47.294    64.567  2.7468  63.714  2.7713  0.8530693      3.901886 
1 1 1 -6  -20 7  o 159.441 3.2679  3421.04   139.549   3477.15   197.696   3365.32   197.010   160.749 4.5916  158.133 4.6513  2.616013       6.535838 
1 1 1 -6  -20 8  o 100.697 2.3610  1361.48   63.671    1385.53   89.998    1337.37   90.091    101.590 3.3074  99.804  3.3701  1.785774       4.721948 
1 1 1 -6  -20 9  o 234.831 4.5106  7451.75   283.710   7505.81   401.309   7397.75   401.144   235.690 6.3569  233.973 6.4010  1.717102       9.021264 
1 1 1 -6  -20 10 o 126.224 2.7082  2140.63   91.551    2094.86   129.091   2186.95   129.857   124.864 3.8599  127.585 3.8000  -2.721344      5.416466 
1 1 1 -6  -20 11 o 87.041  2.1558  1016.34   50.214    958.031   70.279    1077.15   71.771    84.488  3.1055  89.594  2.9908  -5.105591      4.311500 
1 1 1 -6  -20 12 o 95.937  2.2647  1235.13   58.186    1208.17   81.575    1263.04   83.018    94.871  3.2102  97.003  3.1952  -2.131508      4.529348 
1 1 1 -6  -20 13 o 194.801 3.8004  5116.57   198.250   5235.85   280.029   4996.71   280.707   197.095 5.3044  192.508 5.4440  4.586441       7.600896 
1 1 1 -6  -20 14 f 103.753 2.3717  1445.16   65.901    1412.00   92.556    1479.26   93.855    102.544 3.3698  104.961 3.3384  -2.416679      4.743466 
1 1 1 -6  -20 15 o 51.843  1.8821  360.764   26.041    333.419   36.270    389.857   37.411    49.777  2.7308  53.910  2.5909  -4.133591      3.764292 
1 1 1 -6  -20 16 o 132.726 2.7893  2368.46   99.160    2363.92   139.796   2373.06   140.675   132.599 3.9361  132.853 3.9533  -0.2539825     5.578632 
1 1 1 -6  -20 17 o 146.961 3.0291  2906.99   119.212   2962.20   168.249   2851.33   168.935   148.371 4.2337  145.551 4.3333  2.819458       6.058131 
1 1 1 -6  -20 18 o 52.733  1.9064  374.136   26.834    373.460   37.655    374.835   38.250    52.686  2.6771  52.780  2.7149  -0.9371567E-01 3.812814 
1 1 1 -6  -20 19 o 27.192  2.1798  101.163   15.455    87.976    21.984    114.048   21.732    25.375  3.3137  29.009  2.8330  -3.634363      4.359641 
1 1 1 -6  -20 20 o 124.533 2.7140  2087.14   90.528    2099.97   128.060   2074.33   127.992   124.917 3.8274  124.149 3.8490  0.7681580      5.428062 
1 1 1 -6  -20 21 o 122.906 2.6655  2033.56   87.739    2072.18   124.352   1995.26   123.813   124.073 3.7419  121.740 3.7971  2.333893       5.330953 
1 1 1 -6  -20 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -20 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -20 24 o 145.081 3.0624  2845.73   118.993   2824.29   168.910   2866.86   167.661   144.528 4.3633  145.634 4.2981  -1.105789      6.124713 
1 1 1 -6  -20 25 o 66.849  2.0204  601.502   36.150    594.262   51.922    608.313   50.363    66.452  2.9171  67.246  2.7961  -0.7942047     4.040781 
1 1 1 -6  -20 26 o 95.037  2.3119  1217.43   58.822    1272.67   84.169    1164.71   82.237    97.150  3.2346  92.925  3.3041  4.225594       4.623806 
1 1 1 -6  -20 27 o 54.633  1.9927  403.107   29.046    405.321   41.801    401.041   40.390    54.771  2.8592  54.494  2.7764  0.2770424      3.985414 
1 1 1 -6  -20 28 o 70.168  2.0726  664.513   38.933    658.925   55.808    669.811   54.341    69.871  2.9820  70.464  2.8792  -0.5933456     4.145127 
1 1 1 -6  -20 29 o 7.9195  2.5021  -11.2505  11.578    2.3522    16.076    -25.9094  16.688    9.2737  3.8748  6.5654  3.1668  2.708265       5.004242 
1 1 1 -6  -20 30 o 116.153 2.6560  1837.02   82.611    1798.63   117.159   1874.99   116.504   114.920 3.8062  117.385 3.7054  -2.465172      5.311984 
1 1 1 -6  -20 31 o 68.498  2.1327  636.045   39.121    630.900   55.748    641.037   54.913    68.215  3.0511  68.781  2.9807  -0.5650406     4.265449 
1 1 1 -6  -20 32 o 40.920  2.1308  228.602   23.166    224.558   33.335    232.380   32.218    40.548  3.0927  41.292  2.9321  -0.7442360     4.261643 
1 1 1 -6  -20 33 o 41.646  2.1810  237.458   24.119    227.484   34.512    246.980   33.721    40.757  3.1868  42.535  2.9786  -1.777988      4.362040 
1 1 1 -6  -20 34 o 15.778  3.2028  35.012    14.894    48.509    20.891    21.058    21.241    18.369  4.3188  13.187  4.7308  5.181716       6.405694 
1 1 1 -6  -20 35 o 40.093  2.3237  222.130   24.640    204.886   35.242    238.622   34.464    38.498  3.4545  41.688  3.1089  -3.189487      4.647448 
1 1 1 -6  -20 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -20 37 o 25.867  3.0914  98.086    20.321    116.857   28.159    77.685    29.355    28.780  3.7413  22.953  4.9225  5.827429       6.182876 
1 1 1 -6  -20 38 o 26.895  2.9396  104.469   20.415    109.399   28.184    99.027    29.612    27.681  3.9101  26.108  4.3904  1.573334       5.879158 
1 1 1 -6  -20 39 o 22.380  3.3531  76.292    19.597    97.495    27.430    54.186    28.007    25.929  4.0846  18.831  5.3187  7.098623       6.706151 
1 1 1 -6  -20 40 o 14.326  3.6665  27.106    18.293    19.310    25.230    35.746    26.561    13.041  5.0563  15.611  5.3110  -2.570302      7.333047 
1 1 1 -6  -20 41 o 24.687  3.3738  93.106    21.488    86.178    29.743    100.669   31.078    23.651  4.8577  25.723  4.6833  -2.072050      6.747586 
1 1 1 -6  -20 42 o 15.698  3.4894  32.499    18.449    6.5916    24.601    65.796    27.890    11.129  4.7292  20.268  5.1322  -9.139356      6.978835 
1 1 1 -6  -20 43 o 13.516  3.5853  23.329    18.736    39.236    25.772    5.5006    27.285    15.685  5.2319  11.347  4.9034  4.338086       7.170520 
1 1 1 -6  -20 44 o 15.458  3.6699  36.936    19.715    57.706    27.074    13.489    28.766    18.628  5.2180  12.288  5.1619  6.340293       7.339821 
1 1 1 -6  -20 45 o 11.305  5.5424  -67.0114  57.034    0.0000    0.0000    -67.0114  57.034    ?       ?       11.305  5.5424  ?              ?        
1 1 1 -6  -20 46 o 12.751  3.7176  19.606    20.478    16.108    27.741    23.794    30.358    12.203  5.0936  13.299  5.4164  -1.096212      7.435182 
1 1 1 -6  -20 47 f 18.365  3.9713  62.843    23.644    92.836    33.174    31.876    33.709    22.670  5.5159  14.059  5.7148  8.610416       7.942523 
1 1 1 -6  -20 48 o 17.322  4.0630  61.204    23.991    85.163    33.083    34.630    34.843    20.776  5.7500  13.869  5.7419  6.906669       8.126012 
1 1 1 -6  -19 1  o 148.772 3.1216  2977.21   124.388   2987.59   176.582   2966.99   175.248   149.029 4.4237  148.516 4.4054  0.5121460      6.243186 
1 1 1 -6  -19 2  o 152.915 3.1570  3144.81   129.303   3171.53   183.529   3118.48   182.202   153.561 4.4621  152.270 4.4673  1.290451       6.314054 
1 1 1 -6  -19 3  o 156.067 3.1823  3275.60   132.975   3399.73   188.889   3153.63   187.233   159.008 4.4351  153.126 4.5650  5.881668       6.364688 
1 1 1 -6  -19 4  o 126.171 2.7366  2138.19   92.480    2159.38   131.276   2117.30   130.301   126.792 3.8655  125.550 3.8748  1.242142       5.473171 
1 1 1 -6  -19 5  o 186.587 3.7256  4689.56   186.006   4952.02   263.871   4430.33   262.240   191.803 5.1363  181.371 5.3981  10.43236       7.451233 
1 1 1 -6  -19 6  o 174.470 3.4634  4098.05   161.613   4369.96   229.240   3829.35   227.878   180.252 4.7481  168.688 5.0435  11.56367       6.926843 
1 1 1 -6  -19 7  o 153.559 3.1165  3170.08   128.133   3281.28   181.533   3059.68   180.883   156.252 4.3375  150.866 4.4763  5.385895       6.233077 
1 1 1 -6  -19 8  o 37.850  1.9406  193.010   19.525    190.032   26.996    196.275   28.273    37.546  2.7024  38.154  2.7859  -0.6071892     3.881252 
1 1 1 -6  -19 9  o 120.644 2.6635  1955.18   86.028    2019.68   121.473   1890.28   121.852   122.647 3.6977  118.642 3.8345  4.005424       5.326941 
1 1 1 -6  -19 10 o 60.226  1.9276  486.724   31.071    495.289   43.338    477.665   44.569    60.773  2.6624  59.678  2.7882  1.094856       3.855177 
1 1 1 -6  -19 11 o 99.256  2.3220  1322.15   61.726    1326.15   86.768    1318.04   87.829    99.410  3.2587  99.103  3.3088  0.3075562      4.644014 
1 1 1 -6  -19 12 f 146.232 2.9947  2873.56   117.295   2860.10   165.291   2887.22   166.475   145.888 4.2300  146.576 4.2403  -0.6885986     5.989417 
1 1 1 -6  -19 13 o 209.105 4.0833  5894.02   228.691   5940.44   323.026   5847.37   323.810   209.937 5.7446  208.272 5.8046  1.665009       8.166607 
1 1 1 -6  -19 14 o 192.111 3.7509  4970.28   193.006   4930.23   272.470   5010.61   273.435   191.332 5.3167  192.890 5.2924  -1.558350      7.501814 
1 1 1 -6  -19 15 o 147.847 3.0557  2938.51   121.000   2894.18   170.686   2983.28   171.557   146.723 4.3432  148.971 4.2995  -2.247131      6.111378 
1 1 1 -6  -19 16 o 157.701 3.1900  3344.86   134.746   3329.06   190.194   3360.79   190.928   157.326 4.5134  158.075 4.5094  -0.7484589     6.380089 
1 1 1 -6  -19 17 f 58.304  1.8799  455.904   29.355    450.645   41.211    461.321   41.824    57.963  2.6544  58.646  2.6626  -0.6822968     3.759711 
1 1 1 -6  -19 18 o 70.108  1.9618  659.680   36.819    634.148   52.080    685.193   52.060    68.749  2.8282  71.467  2.7196  -2.718384      3.923664 
1 1 1 -6  -19 19 o 130.620 2.7644  2293.55   96.713    2269.16   136.707   2317.99   136.839   129.923 3.9284  131.318 3.8904  -1.395340      5.528821 
1 1 1 -6  -19 20 o 108.109 2.4344  1570.10   70.491    1584.33   99.928    1556.01   99.452    108.598 3.4354  107.621 3.4501  0.9762802      4.868780 
1 1 1 -6  -19 21 o 26.519  2.3511  96.534    16.017    118.142   22.982    76.124    22.336    29.519  2.9461  23.520  3.6649  5.998657       4.702225 
1 1 1 -6  -19 22 o 193.720 3.8285  5072.77   198.652   5098.98   281.509   5046.79   280.368   194.219 5.4114  193.221 5.4173  0.9984741      7.657086 
1 1 1 -6  -19 23 o 57.139  1.9910  441.538   30.228    396.904   43.432    483.467   42.096    54.270  2.9996  60.009  2.6190  -5.739841      3.982033 
1 1 1 -6  -19 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -19 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -19 26 o 131.873 2.8507  2349.02   100.685   2352.05   143.283   2346.06   141.514   131.951 4.0541  131.796 4.0088  0.1554565      5.701389 
1 1 1 -6  -19 27 o 50.551  2.0018  345.586   26.944    331.179   38.756    359.065   37.486    49.512  2.9355  51.591  2.7224  -2.079491      4.003559 
1 1 1 -6  -19 28 o 101.993 2.4375  1405.37   66.572    1386.70   94.771    1423.55   93.535    101.313 3.4924  102.673 3.4012  -1.360390      4.874904 
1 1 1 -6  -19 29 o 85.135  2.2507  978.994   51.317    980.026   73.118    977.992   72.042    85.174  3.2050  85.095  3.1607  0.7834625E-01  4.501374 
1 1 1 -6  -19 30 o 48.149  2.0616  314.016   26.452    322.065   38.026    306.468   36.821    48.746  2.9260  47.551  2.9050  1.195374       4.123106 
1 1 1 -6  -19 31 o 113.856 2.6551  1764.78   80.952    1729.88   114.761   1799.34   114.207   112.713 3.8013  114.999 3.7077  -2.286896      5.310101 
1 1 1 -6  -19 32 o 16.586  3.2276  39.014    14.994    47.217    21.087    30.626    21.323    18.192  4.3800  14.980  4.7418  3.212708       6.455145 
1 1 1 -6  -19 33 o 72.494  2.2144  714.727   42.964    692.427   61.284    736.279   60.248    71.355  3.2065  73.632  3.0549  -2.276558      4.428751 
1 1 1 -6  -19 34 o 62.489  2.1610  531.530   36.048    571.663   51.607    493.293   50.374    64.858  2.9707  60.120  3.1391  4.737946       4.321929 
1 1 1 -6  -19 35 o 19.162  3.2604  53.378    16.844    68.674    23.777    37.968    23.866    21.949  4.1974  16.375  4.9902  5.573799       6.520769 
1 1 1 -6  -19 36 o 62.219  2.2418  530.653   37.185    577.798   52.938    484.735   52.244    65.046  3.0385  59.392  3.2971  5.654453       4.483636 
1 1 1 -6  -19 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -19 38 o 25.498  2.9462  93.425    19.390    85.680    27.202    101.425   27.646    24.335  4.3322  26.662  3.9942  -2.326838      5.892500 
1 1 1 -6  -19 39 o 32.585  2.6548  150.603   22.603    132.047   31.485    170.337   32.469    30.390  3.9622  34.780  3.5345  -4.389946      5.309564 
1 1 1 -6  -19 40 o 26.855  2.9782  105.280   20.701    110.952   29.521    99.793    29.036    27.628  4.1148  26.082  4.3067  1.546040       5.956482 
1 1 1 -6  -19 41 o 8.6297  2.7513  -12.3424  14.403    3.7435    19.252    -32.7879  21.705    9.9221  4.1983  7.3374  3.5571  2.584716       5.502640 
1 1 1 -6  -19 42 o 11.797  3.3596  11.022    16.725    0.0472    22.692    24.075    24.748    10.116  4.4205  13.478  5.0603  -3.361413      6.719151 
1 1 1 -6  -19 43 o 12.814  3.5896  18.929    18.196    15.029    24.178    24.024    27.632    12.037  4.8585  13.591  5.2855  -1.554376      7.179256 
1 1 1 -6  -19 44 o 18.204  3.8654  54.022    21.010    36.552    28.461    74.942    31.144    15.240  5.4752  21.169  5.4578  -5.929232      7.730769 
1 1 1 -6  -19 45 o 19.493  3.8623  64.835    20.970    66.968    28.335    62.251    31.179    20.021  5.2274  18.964  5.6870  1.057112       7.724512 
1 1 1 -6  -19 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -19 47 o 31.772  3.0037  164.592   22.666    141.204   38.486    177.013   28.047    28.806  5.1784  34.738  3.0450  -5.931917      6.007338 
1 1 1 -6  -19 48 o 11.067  3.3108  10.273    15.295    25.779    29.185    4.4007    17.959    12.941  5.2952  9.1941  3.9756  3.746499       6.621531 
1 1 1 -6  -18 1  o 90.637  2.2797  1103.80   55.257    1037.90   78.450    1168.68   77.844    87.943  3.3304  93.331  3.1139  -5.388153      4.559427 
1 1 1 -6  -18 2  f 79.562  2.1359  849.252   45.512    840.235   64.623    858.126   64.107    79.142  3.0486  79.983  2.9924  -0.8405991     4.271777 
1 1 1 -6  -18 3  o 129.163 2.7740  2240.29   95.935    2321.67   136.333   2160.48   135.021   131.491 3.8709  126.835 3.9744  4.655952       5.547972 
1 1 1 -6  -18 4  o 85.052  2.1399  970.298   48.746    989.253   69.195    951.623   68.682    85.878  3.0082  84.227  3.0444  1.650764       4.279891 
1 1 1 -6  -18 5  o 314.941 5.9658  13450.86  503.034   13926.92  712.292   12977.19  710.506   320.565 8.2957  309.316 8.5758  11.24872       11.93160 
1 1 1 -6  -18 6  o 283.988 5.3408  10908.08  406.228   11063.29  574.998   10753.42  573.988   286.023 7.5055  281.954 7.6004  4.068756       10.68165 
1 1 1 -6  -18 7  o 240.905 4.6311  7831.06   298.762   8021.10   422.854   7641.62   422.173   243.844 6.4743  237.966 6.6235  5.878082       9.262112 
1 1 1 -6  -18 8  o 63.208  1.9439  535.648   32.842    489.928   45.893    583.638   47.018    60.441  2.8348  65.974  2.6608  -5.533119      3.887893 
1 1 1 -6  -18 9  o 38.692  1.9176  201.428   19.656    176.946   27.207    228.156   28.427    36.214  2.8274  41.169  2.5912  -4.955730      3.835111 
1 1 1 -6  -18 10 o 231.023 4.4626  7197.87   276.139   7203.81   390.123   7191.91   390.918   231.120 6.3019  230.925 6.3201  0.1957397      8.925166 
1 1 1 -6  -18 11 o 93.944  2.2390  1183.90   56.336    1170.96   79.098    1197.23   80.256    93.424  3.1610  94.465  3.1719  -1.041611      4.477998 
1 1 1 -6  -18 12 f 95.984  2.2403  1235.89   57.594    1221.27   80.905    1250.92   82.005    95.408  3.1659  96.559  3.1707  -1.151070      4.480688 
1 1 1 -6  -18 13 o 158.579 3.1771  3380.17   134.946   3385.97   190.399   3374.31   191.288   158.717 4.4787  158.440 4.5075  0.2771912      6.354224 
1 1 1 -6  -18 14 o 143.946 2.9641  2784.14   114.272   2814.62   161.217   2753.36   161.997   144.741 4.1584  143.150 4.2250  1.591141       5.928152 
1 1 1 -6  -18 15 o 139.598 2.9013  2617.99   108.473   2574.31   152.979   2662.16   153.834   138.424 4.1260  140.771 4.0799  -2.346848      5.802535 
1 1 1 -6  -18 16 o 103.028 2.3577  1424.60   65.061    1426.15   91.658    1423.02   92.365    103.086 3.3196  102.970 3.3489  0.1150284      4.715412 
1 1 1 -6  -18 17 o 209.900 4.0562  5938.46   228.044   5959.21   322.357   5917.67   322.650   210.270 5.7236  209.530 5.7491  0.7401581      8.112416 
1 1 1 -6  -18 18 o 71.009  1.9729  676.538   37.499    707.300   53.164    646.083   52.899    72.618  2.7333  69.400  2.8458  3.218056       3.945818 
1 1 1 -6  -18 19 o 76.723  2.0531  789.664   42.186    806.721   59.952    772.937   59.371    77.544  2.8865  75.902  2.9204  1.642670       4.106125 
1 1 1 -6  -18 20 o 61.305  1.9365  503.894   31.785    524.464   45.492    484.275   44.428    62.527  2.7163  60.082  2.7607  2.445118       3.872958 
1 1 1 -6  -18 21 o 113.576 2.5302  1732.80   76.968    1742.27   109.378   1723.50   108.329   113.883 3.5857  113.270 3.5706  0.6138840      5.060313 
1 1 1 -6  -18 22 o 95.631  2.2926  1227.76   58.704    1274.26   83.752    1182.86   82.307    97.413  3.2099  93.849  3.2743  3.563797       4.585263 
1 1 1 -6  -18 23 o 109.713 2.4853  1617.53   73.028    1637.92   104.185   1597.83   102.393   110.392 3.5235  109.035 3.5061  1.357483       4.970675 
1 1 1 -6  -18 24 o 92.778  2.2766  1156.78   56.554    1153.88   80.985    1159.55   79.011    92.660  3.2630  92.896  3.1754  -0.2361603     4.553115 
1 1 1 -6  -18 25 o 69.253  2.0437  644.112   37.890    650.834   54.585    637.862   52.637    69.599  2.9281  68.908  2.8519  0.6913605      4.087449 
1 1 1 -6  -18 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -18 27 f 64.446  2.0873  558.623   36.016    560.501   51.681    556.850   50.219    64.547  2.9893  64.344  2.9139  0.2033157      4.174506 
1 1 1 -6  -18 28 o 159.911 3.2975  3469.31   141.224   3422.59   200.206   3515.58   199.239   158.821 4.7063  161.002 4.6201  -2.181198      6.595079 
1 1 1 -6  -18 29 o 55.404  2.0714  414.352   30.616    429.722   44.041    399.978   42.591    56.401  2.9253  54.407  2.9335  1.993805       4.142794 
1 1 1 -6  -18 30 o 99.355  2.4470  1335.23   65.113    1362.07   92.536    1308.91   91.639    100.349 3.4428  98.361  3.4783  1.988129       4.894008 
1 1 1 -6  -18 31 o 71.475  2.1600  690.256   41.337    716.806   59.101    664.830   57.837    72.826  3.0298  70.125  3.0792  2.700500       4.319923 
1 1 1 -6  -18 32 o 119.559 2.7499  1948.42   88.063    1952.81   124.832   1944.07   124.248   119.690 3.8939  119.427 3.8842  0.2629013      5.499887 
1 1 1 -6  -18 33 o 20.020  3.0446  57.669    15.952    73.613    22.518    41.607    22.601    22.934  3.7986  17.105  4.7591  5.829039       6.089167 
1 1 1 -6  -18 34 o 56.048  2.1503  427.961   32.156    422.760   45.677    433.072   45.275    55.699  3.0736  56.396  3.0081  -0.6975136     4.300644 
1 1 1 -6  -18 35 o 31.330  2.5359  136.076   20.880    140.061   29.338    131.985   29.724    31.826  3.4994  30.835  3.6712  0.9908199      5.071803 
1 1 1 -6  -18 36 f 67.412  2.2595  620.721   40.798    617.842   57.587    623.621   57.807    67.254  3.1968  67.569  3.1941  -0.3149033     4.519006 
1 1 1 -6  -18 37 o 61.821  2.2742  524.752   37.547    547.448   52.968    501.828   53.233    63.246  3.1267  60.395  3.3032  2.850494       4.548380 
1 1 1 -6  -18 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -18 39 o 43.055  2.4043  258.438   27.462    241.305   38.434    276.310   39.255    41.547  3.4859  44.564  3.3123  -3.017456      4.808650 
1 1 1 -6  -18 40 o 49.606  2.4378  345.742   32.132    362.951   45.071    327.956   45.821    50.949  3.3209  48.263  3.5698  2.686066       4.875624 
1 1 1 -6  -18 41 o 18.004  3.7115  49.236    19.146    39.493    26.016    60.748    28.279    16.218  5.2487  19.790  5.2490  -3.571608      7.422990 
1 1 1 -6  -18 42 o 11.638  3.1607  0.7682    16.041    -24.2267  20.838    37.126    25.132    7.6371  3.6456  15.639  5.1642  -8.001659      6.321322 
1 1 1 -6  -18 43 o 16.338  3.6641  42.131    18.613    53.961    25.680    29.035    27.018    18.378  5.0576  14.298  5.3031  4.079712       7.328169 
1 1 1 -6  -18 44 o 20.407  3.7520  69.568    21.011    81.140    28.632    56.064    30.929    22.570  4.8784  18.243  5.7018  4.326595       7.503978 
1 1 1 -6  -18 45 o 36.825  2.9884  206.195   28.794    182.911   39.670    232.119   41.859    34.434  4.4019  39.217  4.0430  -4.782272      5.976838 
1 1 1 -6  -18 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -18 47 o 22.213  3.4162  84.350    18.574    74.794    33.353    88.646    22.362    20.221  5.8347  24.205  3.5551  -3.984896      6.832427 
1 1 1 -6  -18 48 o 8.5665  2.8143  -7.2775   13.999    -11.8153  27.073    -5.6215   16.355    9.3660  4.3731  7.7669  3.5437  1.599073       5.628655 
1 1 1 -6  -17 1  f 177.440 3.5677  4234.72   169.543   4321.50   240.526   4149.03   239.021   179.252 5.0097  175.628 5.0811  3.624130       7.135398 
1 1 1 -6  -17 2  o 201.947 3.9528  5490.59   213.810   5487.02   303.029   5494.12   301.721   201.879 5.6041  202.015 5.5761  -0.1357422     7.905625 
1 1 1 -6  -17 3  o 81.262  2.1154  885.726   46.040    882.182   65.366    889.215   64.858    81.100  3.0091  81.424  2.9739  -0.3240738     4.230712 
1 1 1 -6  -17 4  o 135.184 2.8651  2454.16   103.740   2441.96   147.036   2466.25   146.387   134.847 4.0709  135.520 4.0328  -0.6724701     5.730278 
1 1 1 -6  -17 5  o 84.521  2.1149  958.464   47.847    1001.93   67.803    915.348   67.529    86.433  2.9287  82.609  3.0519  3.824036       4.229834 
1 1 1 -6  -17 6  o 318.796 5.9600  13770.24  508.908   13867.67  720.043   13672.99  719.367   319.934 8.4025  317.658 8.4548  2.276520       11.91996 
1 1 1 -6  -17 7  o 75.586  2.0205  766.109   40.905    757.773   57.541    774.627   58.162    75.171  2.8578  76.002  2.8571  -0.8313904     4.041071 
1 1 1 -6  -17 8  f 157.442 3.1808  3331.00   134.128   3373.29   189.494   3288.53   189.876   158.448 4.4650  156.437 4.5315  2.010956       6.361662 
1 1 1 -6  -17 9  o 58.466  1.8270  457.973   28.600    442.338   39.878    474.532   41.040    57.439  2.5920  59.493  2.5754  -2.053989      3.653948 
1 1 1 -6  -17 10 o 148.369 3.0363  2957.06   120.655   2911.35   170.106   3003.34   171.162   147.213 4.3140  149.525 4.2737  -2.311813      6.072521 
1 1 1 -6  -17 11 o 123.808 2.6522  2057.93   87.883    1954.10   123.638   2163.96   124.943   120.645 3.8261  126.971 3.6738  -6.325340      5.304309 
1 1 1 -6  -17 12 f 164.004 3.2528  3615.20   142.889   3622.26   201.647   3608.08   202.506   164.167 4.5858  163.841 4.6145  0.3254089      6.505640 
1 1 1 -6  -17 13 o 324.102 6.1210  14250.87  531.298   14510.27  751.238   13991.28  751.500   327.092 8.5747  321.112 8.7374  5.979950       12.24207 
1 1 1 -6  -17 14 o 95.291  2.2473  1218.09   57.353    1194.30   80.659    1242.43   81.566    94.349  3.1917  96.233  3.1644  -1.883705      4.494524 
1 1 1 -6  -17 15 o 29.354  1.9533  118.061   14.883    141.264   20.926    94.313    21.171    32.370  2.4314  26.339  3.0578  6.030617       3.906606 
1 1 1 -6  -17 16 o 133.184 2.7713  2382.20   98.859    2369.25   139.611   2395.22   140.006   132.821 3.9243  133.548 3.9140  -0.7269135     5.542538 
1 1 1 -6  -17 17 o 100.100 2.3131  1344.77   62.002    1383.26   87.793    1306.46   87.575    101.532 3.2283  98.668  3.3137  2.863708       4.626265 
1 1 1 -6  -17 18 o 104.110 2.3540  1454.82   65.636    1435.41   93.053    1474.03   92.595    103.417 3.3593  104.803 3.2986  -1.386093      4.708014 
1 1 1 -6  -17 19 o 83.773  2.1039  941.358   47.203    959.164   67.158    923.974   66.359    84.556  2.9653  82.990  2.9853  1.566566       4.207720 
1 1 1 -6  -17 20 o 155.435 3.1530  3248.47   131.264   3281.12   186.259   3216.24   185.018   156.212 4.4516  154.658 4.4664  1.554199       6.305943 
1 1 1 -6  -17 21 o 22.563  2.5646  70.405    14.908    64.869    21.547    75.489    20.648    21.652  3.8567  23.474  3.3816  -1.821377      5.129234 
1 1 1 -6  -17 22 o 41.371  1.9987  232.633   21.815    209.725   31.927    252.694   29.877    39.414  3.0480  43.328  2.5862  -3.914097      3.997331 
1 1 1 -6  -17 23 o 97.548  2.3290  1277.95   60.827    1270.85   87.109    1284.70   84.977    97.279  3.3431  97.816  3.2434  -0.5365677     4.657917 
1 1 1 -6  -17 24 o 76.414  2.1092  784.017   43.146    779.969   61.950    787.830   60.127    76.219  3.0345  76.609  2.9303  -0.3896637     4.218380 
1 1 1 -6  -17 25 o 64.597  2.0127  560.202   34.809    561.542   50.008    558.942   48.482    64.669  2.8871  64.524  2.8053  0.1452103      4.025491 
1 1 1 -6  -17 26 o 156.129 3.2196  3288.97   134.635   3330.91   191.169   3247.70   189.647   157.119 4.5426  155.138 4.5639  1.980316       6.439264 
1 1 1 -6  -17 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -17 28 o 83.571  2.8675  931.533   59.651    909.559   71.900    980.057   106.844   82.193  3.2659  84.948  4.7143  -2.755966      5.735049 
1 1 1 -6  -17 29 f 87.373  2.2795  1028.58   53.343    1040.62   75.955    1016.86   74.931    87.878  3.2269  86.869  3.2204  1.008324       4.558956 
1 1 1 -6  -17 30 o 40.159  2.0946  218.195   22.354    230.221   32.261    207.088   31.004    41.232  2.9404  39.087  2.9839  2.144264       4.189264 
1 1 1 -6  -17 31 o 50.271  2.0896  342.859   27.949    323.113   39.988    361.715   39.078    48.826  3.0734  51.716  2.8319  -2.889687      4.179122 
1 1 1 -6  -17 32 o 35.127  2.2718  168.318   21.132    173.814   30.137    163.003   29.640    35.701  3.1850  34.553  3.2405  1.148239       4.543673 
1 1 1 -6  -17 33 o 85.841  2.3189  1000.62   53.248    1059.60   75.345    941.759   75.262    88.403  3.1820  83.279  3.3740  5.124100       4.637807 
1 1 1 -6  -17 34 o 73.595  2.2474  736.908   44.190    796.201   62.500    677.636   62.489    76.602  3.0461  70.588  3.3051  6.014626       4.494729 
1 1 1 -6  -17 35 o 71.538  2.2533  696.495   43.173    684.947   60.779    708.256   61.336    70.935  3.1989  72.141  3.1743  -1.205856      4.506583 
1 1 1 -6  -17 36 o 50.448  2.2408  348.648   30.092    363.434   42.311    333.514   42.806    51.566  3.0774  49.330  3.2580  2.236183       4.481637 
1 1 1 -6  -17 37 o 34.365  2.4919  163.721   22.607    159.192   31.685    168.418   32.266    33.870  3.5451  34.861  3.5030  -0.9909706     4.983885 
1 1 1 -6  -17 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -17 39 o 42.985  2.4258  257.003   27.556    225.827   38.309    290.425   39.665    40.191  3.5967  45.780  3.2560  -5.589294      4.851568 
1 1 1 -6  -17 40 o 10.812  3.1405  4.8067    15.345    16.823    20.919    -9.1908   22.578    12.243  4.6399  9.3805  4.2336  2.862356       6.281035 
1 1 1 -6  -17 41 o 26.982  3.1480  107.115   21.861    105.453   29.479    109.146   32.585    26.856  4.2387  27.109  4.6554  -0.2523975     6.296019 
1 1 1 -6  -17 42 o 17.424  3.2106  44.717    18.347    81.962    25.400    4.0841    26.530    23.505  4.1878  11.342  4.8676  12.16341       6.421165 
1 1 1 -6  -17 43 o 23.898  3.4619  92.586    21.435    120.462   29.299    60.482    31.442    28.577  3.9318  19.219  5.6992  9.358191       6.923860 
1 1 1 -6  -17 44 o 31.776  3.7491  171.887   28.443    203.602   36.300    121.451   45.777    37.261  3.6855  26.292  6.5299  10.96843       7.498189 
1 1 1 -6  -17 45 o 12.409  3.2378  17.288    13.721    34.963    24.239    8.9525    16.645    14.882  5.0735  9.9367  4.0241  4.945328       6.475626 
1 1 1 -6  -17 46 o 11.014  3.1343  13.256    13.733    4.4699    25.690    16.771    16.250    10.862  4.7258  11.166  4.1184  -0.3037128     6.268559 
1 1 1 -6  -17 47 o 14.136  3.4732  32.675    15.803    24.107    29.933    35.987    18.608    13.336  5.3979  14.937  4.3721  -1.600561      6.946384 
1 1 1 -6  -17 48 o 15.103  3.6624  35.619    16.528    54.551    31.006    28.104    19.535    17.045  5.7385  13.162  4.5522  3.883554       7.324807 
1 1 1 -6  -16 1  f 185.676 3.7028  4637.91   184.137   4584.73   260.992   4690.62   259.831   184.610 5.2782  186.743 5.1947  -2.132950      7.405642 
1 1 1 -6  -16 2  o 144.562 2.9880  2806.66   115.665   2895.25   164.259   2719.52   162.900   146.830 4.1766  142.295 4.2741  4.535019       5.975944 
1 1 1 -6  -16 3  o 20.736  2.1962  60.120    11.396    80.026    16.291    41.045    15.947    24.301  2.5405  17.171  3.5833  7.129755       4.392465 
1 1 1 -6  -16 4  o 47.382  1.7755  301.797   22.453    303.709   31.837    299.905   31.670    47.532  2.5096  47.232  2.5124  0.2996597      3.551065 
1 1 1 -6  -16 5  o 47.501  1.7691  303.299   22.429    302.121   31.711    304.478   31.729    47.408  2.5062  47.593  2.4977  -0.1856956     3.538279 
1 1 1 -6  -16 6  o 191.054 3.7033  4908.64   189.506   4947.02   268.102   4870.32   267.902   191.803 5.2186  190.305 5.2558  1.498245       7.406567 
1 1 1 -6  -16 7  f 105.233 2.3355  1485.48   65.826    1467.44   92.938    1503.63   93.247    104.591 3.3175  105.874 3.2882  -1.283478      4.670952 
1 1 1 -6  -16 8  o 58.624  1.7994  460.636   28.219    429.524   39.520    493.001   40.307    56.604  2.6066  60.645  2.4814  -4.041386      3.598885 
1 1 1 -6  -16 9  o 257.630 4.8871  8952.62   337.232   8886.78   476.510   9018.68   477.328   256.676 6.9310  258.584 6.8917  -1.908295      9.774186 
1 1 1 -6  -16 10 f 84.461  2.0420  956.418   46.177    920.114   64.854    993.746   65.763    82.834  2.9231  86.088  2.8520  -3.253281      4.083902 
1 1 1 -6  -16 11 o 206.183 4.0115  5721.58   221.512   5611.45   312.785   5832.38   313.749   204.184 5.7192  208.182 5.6267  -3.997406      8.022989 
1 1 1 -6  -16 12 o 127.737 2.6651  2189.97   91.181    2161.43   128.587   2218.83   129.316   126.899 3.7831  128.575 3.7550  -1.675987      5.330276 
1 1 1 -6  -16 13 f 87.844  2.1169  1034.83   49.806    1022.07   70.088    1047.85   70.790    87.297  2.9975  88.392  2.9900  -1.094376      4.233766 
1 1 1 -6  -16 14 o 194.606 3.8035  5095.85   198.257   5077.12   280.091   5114.66   280.664   194.247 5.3834  194.965 5.3745  -0.7181702     7.606996 
1 1 1 -6  -16 15 o 99.989  2.2801  1341.59   61.050    1373.91   86.184    1309.03   86.492    101.201 3.1795  98.777  3.2691  2.423317       4.560276 
1 1 1 -6  -16 16 f 130.971 2.7252  2303.17   95.598    2321.01   135.197   2285.32   135.196   131.480 3.8390  130.462 3.8689  1.017593       5.450374 
1 1 1 -6  -16 17 o 134.383 2.7969  2425.21   100.671   2438.81   142.614   2411.70   142.126   134.759 3.9511  134.007 3.9597  0.7521667      5.593738 
1 1 1 -6  -16 18 o 226.548 4.3046  6920.28   261.181   7038.87   369.908   6802.38   368.825   228.495 6.0441  224.602 6.1308  3.892807       8.609143 
1 1 1 -6  -16 19 o 53.209  1.8558  380.818   26.352    362.199   37.723    398.564   36.828    51.898  2.7232  54.521  2.5219  -2.622971      3.711618 
1 1 1 -6  -16 20 f 182.216 3.6240  4469.29   176.866   4448.65   250.921   4489.68   249.339   181.793 5.1531  182.639 5.0969  -0.8464508     7.247996 
1 1 1 -6  -16 21 f 120.779 2.6265  1958.39   84.938    2035.62   121.173   1883.79   119.093   123.123 3.6743  118.435 3.7542  4.687790       5.253078 
1 1 1 -6  -16 22 o 69.628  2.0155  650.852   37.537    639.825   54.262    660.971   51.982    69.058  2.9335  70.197  2.7647  -1.138840      4.031025 
1 1 1 -6  -16 23 o 110.358 2.5410  1637.02   75.048    1585.12   107.130   1687.03   105.164   108.631 3.6818  112.085 3.5029  -3.453499      5.081991 
1 1 1 -6  -16 24 o 142.223 3.0237  2721.40   115.160   2680.48   163.759   2761.44   161.978   141.157 4.3312  143.289 4.2204  -2.132263      6.047437 
1 1 1 -6  -16 25 o 87.933  2.2809  1038.60   53.541    1153.65   76.693    929.212   74.780    92.695  3.0890  83.172  3.3568  9.522903       4.561772 
1 1 1 -6  -16 26 o 27.408  2.4234  102.773   17.349    96.162    24.807    109.101   24.272    26.506  3.5862  28.311  3.2604  -1.804684      4.846749 
1 1 1 -6  -16 27 o 112.554 2.6286  1705.98   79.202    1653.69   112.582   1757.21   111.444   110.834 3.7923  114.273 3.6410  -3.439369      5.257259 
1 1 1 -6  -16 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -16 29 o 105.107 2.5323  1489.10   71.284    1517.80   101.170   1460.81   100.457   106.117 3.5594  104.097 3.6029  2.019478       5.064616 
1 1 1 -6  -16 30 o 106.710 2.5437  1537.06   72.703    1555.02   103.088   1519.29   102.550   107.333 3.5858  106.087 3.6090  1.245674       5.087479 
1 1 1 -6  -16 31 o 15.003  2.5742  24.744    13.362    64.932    19.545    -10.5142  18.308    21.655  3.4882  8.3513  3.7867  13.30405       5.148420 
1 1 1 -6  -16 32 o 46.357  2.0893  291.488   25.756    313.159   36.539    270.088   36.310    48.096  2.8490  44.617  3.0568  3.479820       4.178611 
1 1 1 -6  -16 33 o 74.777  2.2376  757.212   44.809    767.784   63.093    746.454   63.649    75.313  3.1277  74.241  3.2008  1.072151       4.475201 
1 1 1 -6  -16 34 o 34.622  2.3090  164.509   21.102    173.853   29.485    154.696   30.214    35.674  3.1170  33.570  3.4075  2.104675       4.618052 
1 1 1 -6  -16 35 o 37.211  2.2787  190.009   22.439    199.859   31.405    179.735   32.074    38.238  3.0928  36.185  3.3472  2.052929       4.557355 
1 1 1 -6  -16 36 o 40.224  2.3153  222.963   24.595    242.935   34.351    201.955   35.231    42.151  3.0635  38.296  3.4724  3.854801       4.630659 
1 1 1 -6  -16 37 f 78.369  2.3638  840.456   49.593    847.320   69.208    833.211   71.102    78.728  3.2820  78.010  3.4028  0.7177505      4.727666 
1 1 1 -6  -16 38 o 22.869  3.1772  77.040    18.605    89.466    25.179    62.097    27.612    25.171  3.8577  20.567  5.0495  4.603846       6.354451 
1 1 1 -6  -16 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -16 40 o 16.729  3.1298  40.191    17.352    72.414    23.337    0.3562    25.948    22.393  4.0396  11.065  4.7816  11.32797       6.259554 
1 1 1 -6  -16 41 o 47.717  2.5103  320.716   31.799    319.525   43.699    322.058   46.361    47.692  3.4440  47.743  3.6531  -0.5146408E-01 5.020612 
1 1 1 -6  -16 42 o 16.889  3.7911  43.495    19.210    42.054    26.038    45.216    28.455    16.618  5.2377  17.160  5.4825  -0.5424805     7.582259 
1 1 1 -6  -16 43 o 34.792  2.3633  168.914   21.276    192.869   34.628    154.387   26.966    36.581  3.5799  33.003  3.0863  3.578121       4.726640 
1 1 1 -6  -16 44 o 21.948  3.1291  71.085    16.964    84.696    29.556    64.398    20.716    23.164  4.9159  20.732  3.8729  2.431486       6.258232 
1 1 1 -6  -16 45 o 10.784  3.0264  12.039    13.491    -7.1321   25.232    19.714    15.965    9.7874  4.4408  11.781  4.1129  -1.993842      6.052772 
1 1 1 -6  -16 46 f 10.727  3.1041  6.9366    13.392    22.853    24.195    -0.0936   16.080    12.934  4.9688  8.5195  3.7220  4.414913       6.208216 
1 1 1 -6  -16 47 o 18.086  3.2996  56.689    20.101    5.5189    30.988    93.865    26.413    11.619  5.1189  24.553  4.1650  -12.93431      6.599292 
1 1 1 -6  -16 48 o 25.346  3.4895  111.511   21.296    96.797    37.132    118.722   25.996    22.730  6.0081  27.963  3.5509  -5.232805      6.978969 
1 1 1 -6  -16 49 o 9.6355  3.0565  -3.1377   14.069    18.649    28.348    -10.2582  16.206    12.041  5.0946  7.2302  3.3784  4.810628       6.112990 
1 1 1 -6  -15 1  o 100.855 2.3700  1364.73   64.010    1344.34   90.926    1384.77   90.127    100.106 3.3911  101.604 3.3117  -1.498169      4.739941 
1 1 1 -6  -15 2  o 97.270  2.3103  1269.20   60.182    1254.28   85.481    1283.86   84.744    96.701  3.3003  97.838  3.2338  -1.136795      4.620515 
1 1 1 -6  -15 3  o 166.932 3.3443  3743.49   149.521   3801.30   211.947   3686.21   210.967   168.218 4.7040  165.646 4.7549  2.571548       6.688564 
1 1 1 -6  -15 4  o 67.077  1.8990  603.170   34.117    595.300   48.223    611.057   48.273    66.638  2.7017  67.515  2.6694  -0.8769531     3.798036 
1 1 1 -6  -15 5  o 36.949  3.3568  184.620   32.859    184.620   32.859    0.0000    0.0000    36.949  3.3568  ?       ?       ?              ?        
1 1 1 -6  -15 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -15 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -15 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -15 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -15 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -15 11 o 141.342 5.7272  2687.33   216.822   2687.33   216.822   0.0000    0.0000    141.342 5.7272  ?       ?       ?              ?        
1 1 1 -6  -15 12 o 143.483 2.8948  2763.82   111.239   2802.98   157.042   2724.39   157.591   144.506 4.0573  142.460 4.1300  2.045898       5.789542 
1 1 1 -6  -15 13 o 30.155  1.7817  122.924   14.232    130.192   20.028    115.510   20.228    31.072  2.4257  29.238  2.6104  1.833437       3.563496 
1 1 1 -6  -15 14 o 74.997  1.9394  754.126   38.955    762.945   55.059    745.286   55.123    75.436  2.7249  74.557  2.7603  0.8791428      3.878724 
1 1 1 -6  -15 15 o 365.422 6.8588  18140.71  671.322   18169.34  949.434   18112.07  949.352   365.715 9.6924  365.130 9.7071  0.5846558      13.71757 
1 1 1 -6  -15 16 o 174.242 3.4751  4081.61   162.182   4113.47   229.642   4049.91   229.081   174.923 4.9014  173.562 4.9277  1.360184       6.950212 
1 1 1 -6  -15 17 o 232.855 4.4420  7309.03   277.045   7308.27   392.308   7309.78   391.296   232.840 6.2904  232.869 6.2734  -0.2812195E-01 8.884001 
1 1 1 -6  -15 18 o 174.024 3.4417  4072.28   160.406   4159.85   227.569   3985.81   226.134   175.888 4.8304  172.159 4.9040  3.729370       6.883466 
1 1 1 -6  -15 19 o 181.221 3.5690  4418.22   173.203   4541.29   245.897   4297.03   244.006   183.734 4.9966  178.708 5.0976  5.025742       7.138039 
1 1 1 -6  -15 20 o 152.612 3.1207  3130.24   127.560   3155.34   181.363   3105.66   179.445   153.217 4.4193  152.007 4.4073  1.209671       6.241385 
1 1 1 -6  -15 21 f 155.413 3.1600  3246.98   131.535   3258.77   187.134   3235.48   184.922   155.689 4.4875  155.137 4.4502  0.5524445      6.319991 
1 1 1 -6  -15 22 o 65.829  2.0093  580.450   35.401    602.687   51.322    560.266   48.894    67.030  2.8586  64.629  2.8245  2.400780       4.018617 
1 1 1 -6  -15 23 o 117.796 2.6369  1863.88   83.180    1850.10   118.586   1877.21   116.706   117.364 3.7723  118.229 3.6854  -0.8646622     5.273737 
1 1 1 -6  -15 24 o 69.931  2.0901  655.852   39.140    670.701   56.151    641.819   54.586    70.700  2.9651  69.162  2.9467  1.538200       4.180298 
1 1 1 -6  -15 25 o 98.717  2.3946  1309.30   63.286    1277.13   90.128    1340.59   88.886    97.515  3.4506  99.919  3.3212  -2.403702      4.789267 
1 1 1 -6  -15 26 o 106.798 2.4947  1532.79   71.350    1516.37   101.416   1548.88   100.401   106.228 3.5643  107.368 3.4912  -1.140068      4.989304 
1 1 1 -6  -15 27 o 93.182  2.3385  1166.80   58.334    1218.34   82.943    1116.35   82.056    95.224  3.2520  91.141  3.3613  4.082657       4.676939 
1 1 1 -6  -15 28 o 61.487  2.0624  507.984   33.960    503.345   48.330    512.509   47.729    61.208  2.9480  61.766  2.8850  -0.5588608     4.124747 
1 1 1 -6  -15 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -15 30 o 43.222  2.1471  252.647   24.699    252.144   34.944    253.149   34.915    43.178  3.0409  43.266  3.0320  -0.8766937E-01 4.294184 
1 1 1 -6  -15 31 f 46.031  2.1213  286.733   25.985    271.756   36.645    301.880   36.854    44.805  3.0721  47.256  2.9260  -2.451275      4.242522 
1 1 1 -6  -15 32 o 111.108 2.6273  1671.78   78.179    1684.44   109.943   1658.82   111.193   111.546 3.6798  110.671 3.7511  0.8747864      5.254663 
1 1 1 -6  -15 33 o 129.251 2.9017  2274.38   100.450   2261.47   141.203   2287.60   142.929   128.887 4.0902  129.616 4.1169  -0.7286377     5.803351 
1 1 1 -6  -15 34 o 62.913  2.1748  535.960   36.645    529.535   51.386    542.608   52.272    62.532  3.0680  63.295  3.0833  -0.7636528     4.349613 
1 1 1 -6  -15 35 o 11.734  2.9524  14.638    12.676    26.179    16.933    -0.0714   19.117    13.773  4.2048  9.6949  4.1455  4.078062       5.904735 
1 1 1 -6  -15 36 o 37.398  2.3060  192.783   22.740    206.156   31.418    178.071   32.955    38.833  3.0450  35.964  3.4640  2.869461       4.612097 
1 1 1 -6  -15 37 o 30.326  2.5298  127.546   20.126    125.857   27.674    129.442   29.321    30.135  3.4933  30.518  3.6601  -0.3826885     5.059650 
1 1 1 -6  -15 38 o 43.497  2.3480  260.159   27.110    242.352   37.532    279.586   39.201    41.917  3.3714  45.077  3.2690  -3.160660      4.696033 
1 1 1 -6  -15 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -15 40 o 31.322  2.7545  138.904   22.590    136.050   31.164    142.064   32.791    31.006  3.8342  31.639  3.9558  -0.6331501     5.509068 
1 1 1 -6  -15 41 o 26.030  2.7114  96.412    17.811    100.057   28.968    94.197    22.584    26.231  4.2699  25.829  3.3428  0.4017792      5.422750 
1 1 1 -6  -15 42 o 20.532  3.0864  70.188    16.099    38.893    27.006    87.442    20.052    16.168  5.3539  24.896  3.0722  -8.728529      6.172747 
1 1 1 -6  -15 43 o 13.096  2.5589  22.361    13.240    -26.1552  22.194    49.167    16.497    7.8425  3.7488  18.349  3.4841  -10.50615      5.117855 
1 1 1 -6  -15 44 o 36.631  2.4109  192.522   22.665    197.077   36.855    189.752   28.743    36.664  3.8085  36.599  2.9574  0.6458664E-01  4.821879 
1 1 1 -6  -15 45 o 17.829  3.0848  57.409    17.127    8.6931    29.508    82.159    21.033    11.983  5.1378  23.675  3.4156  -11.69268      6.169510 
1 1 1 -6  -15 46 o 11.292  3.2277  11.797    14.030    20.552    25.680    8.0720    16.751    12.780  5.0575  9.8049  4.0118  2.974733       6.455486 
1 1 1 -6  -15 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -15 48 o 22.141  3.5164  91.389    19.897    59.804    35.233    106.179   24.110    17.739  6.1146  26.543  3.4746  -8.804611      7.032864 
1 1 1 -6  -15 49 o 16.437  3.6346  38.033    17.679    86.690    32.945    18.355    20.951    21.396  5.6610  11.479  4.5601  9.917346       7.269206 
1 1 1 -6  -14 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -14 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -14 3  o 110.508 2.4738  1637.74   73.220    1652.53   103.833   1623.11   103.268   111.005 3.4923  110.011 3.5046  0.9931870      4.947526 
1 1 1 -6  -14 4  o 257.080 4.8955  8898.94   337.021   9127.96   477.029   8670.71   476.211   260.400 6.8394  253.761 7.0062  6.638153       9.791027 
1 1 1 -6  -14 5  o 412.745 7.6667  23101.94  847.577   23179.79  1198.79   23024.14  1198.52   413.448 10.825  412.042 10.860  1.406738       15.33345 
1 1 1 -6  -14 6  o 299.198 5.6120  12068.72  449.699   12270.09  636.009   11867.40  635.933   301.710 7.8702  296.686 8.0025  5.024628       11.22406 
1 1 1 -6  -14 7  o 123.977 2.6210  2061.62   87.024    2090.48   122.771   2032.49   123.372   124.851 3.6713  123.103 3.7416  1.747116       5.241925 
1 1 1 -6  -14 8  o 196.696 3.7976  5196.85   200.073   5159.48   282.554   5234.44   283.339   195.986 5.3825  197.407 5.3586  -1.421036      7.595189 
1 1 1 -6  -14 9  o 204.628 3.9484  5627.77   216.319   5810.19   305.694   5444.81   306.150   207.961 5.4880  201.294 5.6782  6.667435       7.896883 
1 1 1 -6  -14 10 o 124.553 2.6097  2080.58   87.062    2068.44   122.730   2092.89   123.522   124.187 3.6896  124.919 3.6917  -0.7318115     5.219419 
1 1 1 -6  -14 11 o 40.751  1.6735  223.388   18.178    228.603   25.535    218.030   25.884    41.238  2.3212  40.264  2.4112  0.9741516      3.346960 
1 1 1 -6  -14 12 o 34.641  1.7043  161.637   15.710    165.393   22.152    157.838   22.282    35.051  2.3736  34.231  2.4463  0.8193436      3.408578 
1 1 1 -6  -14 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -14 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -14 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -14 16 o 134.611 2.7757  2432.34   100.067   2405.47   142.012   2458.83   141.025   133.870 3.9605  135.352 3.8900  -1.482239      5.551354 
1 1 1 -6  -14 17 o 67.640  1.8893  612.849   34.201    649.369   49.105    578.443   47.663    69.597  2.6342  65.684  2.7092  3.912621       3.778689 
1 1 1 -6  -14 18 f 152.706 3.0983  3132.26   126.706   3214.66   180.129   3051.55   178.265   154.697 4.3472  150.715 4.4159  3.982849       6.196668 
1 1 1 -6  -14 19 o 40.475  1.8150  220.181   19.552    227.339   28.504    213.819   26.871    41.095  2.6030  39.855  2.5302  1.239918       3.630088 
1 1 1 -6  -14 20 o 117.484 2.5710  1852.12   80.888    1902.87   115.561   1803.39   113.259   119.062 3.6237  115.906 3.6482  3.155830       5.142032 
1 1 1 -6  -14 21 o 108.908 2.4607  1592.30   71.757    1579.89   102.544   1604.22   100.448   108.489 3.5289  109.328 3.4302  -0.8390045     4.921328 
1 1 1 -6  -14 22 o 130.714 2.7868  2294.75   97.563    2323.14   138.951   2267.15   137.018   131.511 3.9447  129.917 3.9375  1.593628       5.573559 
1 1 1 -6  -14 23 o 262.272 5.0551  9307.25   355.028   9084.50   502.625   9529.05   501.548   259.105 7.2423  265.439 7.0544  -6.333832      10.11018 
1 1 1 -6  -14 24 o 152.121 3.1449  3111.81   128.135   3101.89   181.736   3121.62   180.690   151.877 4.4674  152.365 4.4275  -0.4877472     6.289746 
1 1 1 -6  -14 25 o 188.252 3.7589  4776.09   189.510   4696.29   268.280   4855.56   267.736   186.671 5.3656  189.833 5.2656  -3.161255      7.517748 
1 1 1 -6  -14 26 o 48.002  2.0342  310.530   26.015    301.259   37.108    319.491   36.482    47.288  2.9443  48.716  2.8078  -1.427544      4.068490 
1 1 1 -6  -14 27 o 121.271 2.7492  1979.31   89.168    2108.01   126.351   1851.61   125.857   125.217 3.7673  117.325 4.0050  7.891609       5.498355 
1 1 1 -6  -14 28 o 136.594 2.9575  2513.07   108.197   2545.63   152.805   2480.32   153.223   137.487 4.1494  135.700 4.2156  1.787094       5.915097 
1 1 1 -6  -14 29 o 139.064 3.0185  2608.34   112.430   2581.80   158.520   2635.21   159.485   138.350 4.2777  139.778 4.2598  -1.427841      6.037003 
1 1 1 -6  -14 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -14 31 o 87.721  2.3507  1037.79   55.199    1064.12   77.415    1010.55   78.727    88.866  3.2524  86.577  3.3949  2.289597       4.701436 
1 1 1 -6  -14 32 o 22.212  2.8151  69.923    15.957    83.233    22.126    55.499    23.034    24.590  3.4546  19.835  4.4457  4.755960       5.630200 
1 1 1 -6  -14 33 o 30.480  2.3379  127.562   18.690    135.418   25.862    118.974   27.040    31.515  3.1041  29.445  3.4969  2.069643       4.675845 
1 1 1 -6  -14 34 o 21.925  2.8447  66.989    16.029    55.877    21.802    80.061    23.646    19.871  4.2263  23.979  3.8089  -4.108763      5.689446 
1 1 1 -6  -14 35 o 93.429  2.4848  1189.21   62.111    1228.53   86.826    1148.00   88.886    95.056  3.4102  91.803  3.6148  3.253395       4.969576 
1 1 1 -6  -14 36 o 42.640  2.2654  248.568   25.663    247.247   35.563    250.004   37.071    42.537  3.1436  42.742  3.2627  -0.2052193     4.530735 
1 1 1 -6  -14 37 o 56.202  2.2631  433.005   33.824    454.842   46.928    409.398   48.794    57.739  3.0452  54.665  3.3486  3.074413       4.526184 
1 1 1 -6  -14 38 o 52.457  2.2802  376.423   31.834    350.890   43.787    405.050   46.365    50.559  3.2506  54.355  3.1987  -3.796204      4.560489 
1 1 1 -6  -14 39 o 10.169  3.0512  1.7079    14.246    -0.3997   18.578    4.7159    22.195    9.4425  4.0633  10.896  4.5528  -1.453785      6.102331 
1 1 1 -6  -14 40 o 34.144  2.3128  162.046   20.406    162.324   32.428    161.864   26.256    34.031  3.6128  34.256  2.8884  -0.2249031     4.625536 
1 1 1 -6  -14 41 o 12.407  3.0147  20.613    12.644    7.5203    21.230    27.810    15.740    10.948  4.5023  13.865  4.0103  -2.916905      6.029356 
1 1 1 -6  -14 42 o 20.289  3.1637  62.483    16.057    57.409    27.525    65.100    19.769    19.327  5.2021  21.250  3.6019  -1.923025      6.327364 
1 1 1 -6  -14 43 o 24.285  2.8346  85.328    17.241    92.772    28.549    81.055    21.632    24.877  4.4478  23.693  3.5152  1.183817       5.669242 
1 1 1 -6  -14 44 o 14.920  3.1790  25.736    14.305    60.309    25.246    9.3860    17.361    19.593  4.8392  10.247  4.1238  9.345483       6.357943 
1 1 1 -6  -14 45 o 14.099  3.3825  28.639    14.338    35.495    25.977    25.635    17.194    15.110  5.2480  13.088  4.2690  2.021787       6.765072 
1 1 1 -6  -14 46 o 10.696  3.1141  9.3967    13.230    14.095    24.730    7.5131    15.659    11.870  4.8677  9.5216  3.8854  2.347928       6.228207 
1 1 1 -6  -14 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -14 48 o 10.780  3.1761  10.320    15.632    -11.0075  29.166    18.916    18.516    9.9399  4.6062  11.621  4.3743  -1.680925      6.352294 
1 1 1 -6  -14 49 o 7.4153  2.5036  -18.1064  13.731    -53.3847  27.462    -6.3481   15.855    7.2725  3.6157  7.5581  3.4637  -0.2855487     5.007100 
1 1 1 -6  -13 1  o 152.419 3.1083  3117.11   126.892   3157.34   179.996   3077.38   178.913   153.398 4.3808  151.441 4.4107  1.956894       6.216593 
1 1 1 -6  -13 2  o 335.515 6.2386  15183.84  560.618   15358.82  793.503   15009.45  792.167   337.457 8.7789  333.573 8.8662  3.883514       12.47712 
1 1 1 -6  -13 3  o 122.049 2.6263  1997.39   85.838    2046.27   121.642   1948.90   121.147   123.538 3.6762  120.560 3.7516  2.977745       5.252508 
1 1 1 -6  -13 4  o 274.773 5.1324  10154.38  377.723   10242.72  534.425   10066.21  533.939   275.971 7.2299  273.574 7.2866  2.397125       10.26484 
1 1 1 -6  -13 5  o 191.957 3.7187  4945.48   191.190   4999.74   270.349   4891.18   270.419   193.013 5.2294  190.901 5.2886  2.111511       7.437443 
1 1 1 -6  -13 6  o 232.969 4.4373  7290.48   276.855   7150.39   391.114   7431.17   391.950   230.719 6.3289  235.218 6.2212  -4.498138      8.874589 
1 1 1 -6  -13 7  o 297.890 5.5753  11939.14  444.848   11999.62  628.817   11878.55  629.402   298.650 7.8609  297.131 7.9084  1.518646       11.15068 
1 1 1 -6  -13 8  o 197.517 3.8326  5236.18   202.762   5228.91   286.362   5243.49   287.138   197.380 5.4166  197.654 5.4237  -0.2744141     7.665227 
1 1 1 -6  -13 9  o 127.495 2.6809  2179.46   91.513    2099.86   128.948   2260.24   129.894   125.147 3.8468  129.843 3.7349  -4.695427      5.361719 
1 1 1 -6  -13 10 o 283.447 5.3229  10808.23  404.112   10884.91  571.256   10731.43  571.747   284.458 7.4976  282.436 7.5578  2.022675       10.64587 
1 1 1 -6  -13 11 o 148.646 2.9819  2963.85   118.709   3012.64   167.668   2914.81   168.093   149.875 4.1767  147.417 4.2571  2.457718       5.963859 
1 1 1 -6  -13 12 o 209.178 4.0018  5877.42   224.167   6009.07   316.931   5745.63   317.110   211.529 5.5938  206.826 5.7242  4.702408       8.003568 
1 1 1 -6  -13 13 o 150.111 3.0306  3023.42   121.834   3083.75   172.310   2963.10   172.289   151.612 4.2432  148.611 4.3283  3.000610       6.061227 
1 1 1 -6  -13 14 o 116.303 2.5280  1813.94   78.742    1851.75   111.654   1776.52   111.065   117.510 3.5474  115.096 3.6027  2.414078       5.056031 
1 1 1 -6  -13 15 o 172.798 3.4253  4009.48   158.528   4057.65   224.773   3961.80   223.616   173.832 4.8275  171.764 4.8605  2.068634       6.850516 
1 1 1 -6  -13 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -13 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -13 18 f 11.809  2.5564  18.348    9.1829    11.072    13.187    25.198    12.795    10.160  3.7156  13.459  3.5121  -3.299199      5.112826 
1 1 1 -6  -13 19 o 226.928 4.3654  6937.43   265.338   6970.67   376.344   6904.58   374.154   227.468 6.1770  226.388 6.1703  1.079529       8.730859 
1 1 1 -6  -13 20 o 54.634  1.8442  399.769   26.962    409.494   39.158    391.003   37.180    55.264  2.6454  54.004  2.5704  1.260387       3.688491 
1 1 1 -6  -13 21 o 209.162 4.0685  5893.11   227.928   5896.71   323.237   5889.55   321.449   209.223 5.7680  209.102 5.7394  0.1209717      8.136955 
1 1 1 -6  -13 22 o 145.007 3.0332  2825.40   117.804   2866.14   167.334   2785.36   165.876   146.045 4.2777  143.969 4.3016  2.075546       6.066473 
1 1 1 -6  -13 23 o 114.989 2.6044  1775.43   80.214    1778.45   113.849   1772.46   113.033   115.085 3.6934  114.893 3.6730  0.1923523      5.208834 
1 1 1 -6  -13 24 o 68.198  2.0644  623.881   37.706    627.803   53.734    620.077   52.925    68.408  2.9326  67.987  2.9063  0.4211884      4.128770 
1 1 1 -6  -13 25 o 223.747 4.3576  6757.76   261.146   6806.04   369.409   6709.54   369.223   224.551 6.1419  222.942 6.1831  1.609253       8.715158 
1 1 1 -6  -13 26 o 277.619 5.3535  10454.96  398.086   10430.72  562.699   10479.25  563.260   277.295 7.5761  277.944 7.5659  -0.6490784     10.70704 
1 1 1 -6  -13 27 o 62.412  2.0832  523.076   34.808    538.129   48.980    507.717   49.475    63.323  2.8878  61.502  3.0034  1.820576       4.166480 
1 1 1 -6  -13 28 o 136.491 2.9559  2507.44   108.048   2448.91   152.145   2567.01   153.469   134.878 4.2114  138.103 4.1489  -3.224457      5.911752 
1 1 1 -6  -13 29 o 111.720 2.6084  1679.77   78.042    1695.14   109.669   1664.01   111.081   112.244 3.6478  111.197 3.7296  1.047089       5.216893 
1 1 1 -6  -13 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -13 31 o 17.649  3.0662  42.201    15.589    17.235    21.385    70.513    22.772    12.759  4.7208  22.538  3.9142  -9.779107      6.132475 
1 1 1 -6  -13 32 o 31.101  2.3677  132.860   19.253    144.939   26.617    119.605   27.883    32.655  3.0795  29.548  3.5973  3.106871       4.735382 
1 1 1 -6  -13 33 o 57.939  2.1502  454.362   33.216    458.533   46.044    449.835   47.963    58.232  2.9618  57.646  3.1179  0.5862808      4.300461 
1 1 1 -6  -13 34 o 59.550  2.1697  480.450   34.482    469.035   48.149    492.469   49.405    58.822  3.0666  60.277  3.0703  -1.454468      4.339430 
1 1 1 -6  -13 35 o 41.962  2.2194  240.517   24.684    248.938   34.005    231.137   35.889    42.778  2.9865  41.145  3.2838  1.633007       4.438765 
1 1 1 -6  -13 36 o 35.565  2.3096  172.841   21.698    166.182   29.438    180.763   32.108    34.830  3.1909  36.300  3.3398  -1.470222      4.619123 
1 1 1 -6  -13 37 o 16.067  3.3039  35.049    15.236    25.109    20.120    48.412    23.328    13.799  4.6228  18.335  4.7216  -4.536076      6.607884 
1 1 1 -6  -13 38 o 7.7941  2.4465  -5.4640   9.5905    0.5671    16.764    -8.3981   11.693    9.1408  3.8947  6.4474  2.9621  2.693410       4.893065 
1 1 1 -6  -13 39 o 42.796  2.1804  254.062   24.328    238.334   37.610    265.377   31.901    41.520  3.4121  44.073  2.7156  -2.553642      4.360820 
1 1 1 -6  -13 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -13 41 o 9.3072  2.7142  -3.0573   11.107    17.061    19.238    -13.1155  13.603    12.058  4.4744  6.5565  3.0737  5.501413       5.428417 
1 1 1 -6  -13 42 o 29.149  2.5494  117.107   18.914    137.483   31.572    105.701   23.621    30.944  3.8956  27.355  3.2899  3.589005       5.098877 
1 1 1 -6  -13 43 o 12.482  3.0442  21.962    12.826    5.8965    23.526    28.756    15.299    11.022  4.6512  13.942  3.9286  -2.919519      6.088313 
1 1 1 -6  -13 44 o 25.123  2.9032  93.110    17.940    97.437    30.660    90.857    22.123    25.169  4.7213  25.077  3.3798  0.9201050E-01  5.806351 
1 1 1 -6  -13 45 o 10.796  2.9875  2.0964    12.665    31.650    23.266    -10.3482  15.097    14.428  4.9691  7.1645  3.3179  7.263318       5.975022 
1 1 1 -6  -13 46 o 15.157  3.3396  28.840    14.935    61.002    26.985    14.639    17.931    19.259  5.1367  11.056  4.2693  8.203228       6.679280 
1 1 1 -6  -13 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -13 48 o 22.593  3.4258  80.148    19.147    99.700    33.717    70.843    23.261    24.080  5.3651  21.105  4.2616  2.974306       6.851659 
1 1 1 -6  -13 49 o 30.720  2.9248  143.249   22.487    179.878   39.001    125.008   27.522    33.061  4.5228  28.378  3.7097  4.683435       5.849571 
1 1 1 -6  -12 1  o 360.013 6.7209  17465.96  648.053   17698.79  917.209   17233.86  915.762   362.422 9.4486  357.604 9.5607  4.817932       13.44183 
1 1 1 -6  -12 2  o 265.371 4.9945  9463.20   354.816   9838.94   502.529   9089.67   501.046   270.640 6.9323  260.101 7.1919  10.53891       9.989065 
1 1 1 -6  -12 3  f 164.296 3.2854  3619.60   144.578   3606.05   204.627   3633.10   204.303   163.988 4.6587  164.604 4.6339  -0.6150208     6.570848 
1 1 1 -6  -12 4  o 398.189 7.3524  21361.11  784.093   21013.52  1108.61   21709.03  1109.14   394.929 10.480  401.449 10.315  -6.520050      14.70489 
1 1 1 -6  -12 5  o 267.107 4.9846  9580.24   356.597   9702.21   504.261   9458.22   504.346   268.812 7.0035  265.401 7.0947  3.410583       9.969209 
1 1 1 -6  -12 6  o 286.290 5.3489  11008.88  410.164   10971.56  579.742   11046.27  580.377   285.803 7.5732  286.777 7.5557  -0.9733582     10.69778 
1 1 1 -6  -12 7  o 83.608  2.0254  936.469   45.354    926.850   63.765    946.317   64.522    83.173  2.8623  84.042  2.8663  -0.8688736     4.050702 
1 1 1 -6  -12 8  o 222.974 4.3020  6671.74   256.899   6781.07   363.002   6562.04   363.619   224.808 6.0285  221.140 6.1389  3.668182       8.604001 
1 1 1 -6  -12 9  o 57.348  1.7190  440.480   26.402    433.250   36.997    447.983   37.688    56.868  2.4289  57.827  2.4332  -0.9588699     3.438031 
1 1 1 -6  -12 10 f 352.157 6.5503  16690.04  617.771   17006.43  873.666   16373.65  873.655   355.512 9.1749  348.803 9.3513  6.708527       13.10059 
1 1 1 -6  -12 11 o 103.507 2.2631  1435.99   62.728    1467.16   88.561    1404.60   88.860    104.635 3.1599  102.379 3.2405  2.256554       4.526107 
1 1 1 -6  -12 12 o 234.149 4.4451  7362.59   278.707   7555.76   394.243   7169.60   394.059   237.227 6.2046  231.070 6.3669  6.156998       8.890101 
1 1 1 -6  -12 13 o 237.868 4.4930  7599.77   286.258   7572.97   405.006   7626.52   404.653   237.448 6.3680  238.289 6.3400  -0.8410797     8.985961 
1 1 1 -6  -12 14 o 188.838 3.7314  4786.80   188.722   4737.30   267.383   4835.94   266.407   187.862 5.3138  189.814 5.2400  -1.951752      7.462834 
1 1 1 -6  -12 15 o 90.338  2.1286  1093.33   51.458    1161.03   73.628    1028.69   71.946    93.072  2.9535  87.604  3.0661  5.467674       4.257252 
1 1 1 -6  -12 16 o 131.738 2.7585  2327.49   97.322    2383.14   138.582   2273.34   136.706   133.292 3.8816  130.184 3.9205  3.108887       5.517018 
1 1 1 -6  -12 17 o 183.447 3.6204  4520.94   177.879   4495.06   252.566   4546.40   250.563   182.923 5.1549  183.972 5.0848  -1.049316      7.240721 
1 1 1 -6  -12 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -12 19 o 107.819 2.4245  1559.18   70.008    1577.94   100.004   1541.14   98.037    108.454 3.4426  107.184 3.4149  1.270393       4.848958 
1 1 1 -6  -12 20 o 89.625  2.1942  1077.18   52.668    1088.85   75.182    1065.94   73.804    90.101  3.1153  89.149  3.0908  0.9517593      4.388401 
1 1 1 -6  -12 21 o 73.471  2.0463  724.470   40.238    700.065   57.312    748.197   56.508    72.248  2.9616  74.695  2.8244  -2.447289      4.092518 
1 1 1 -6  -12 22 o 111.677 2.5379  1674.02   75.913    1695.47   107.700   1652.83   107.017   112.389 3.5777  110.965 3.6006  1.423637       5.075871 
1 1 1 -6  -12 23 o 84.226  2.2026  951.843   49.683    974.097   70.374    929.730   70.150    85.209  3.0834  83.243  3.1463  1.966179       4.405280 
1 1 1 -6  -12 24 o 176.899 3.5784  4212.10   169.538   4269.70   239.718   4154.46   239.809   178.115 5.0247  175.683 5.0962  2.432358       7.156759 
1 1 1 -6  -12 25 o 156.372 3.2383  3288.92   135.619   3333.09   191.467   3244.44   192.122   157.431 4.5406  155.312 4.6183  2.118881       6.476572 
1 1 1 -6  -12 26 o 114.589 2.6287  1763.93   80.672    1785.55   113.705   1742.01   114.472   115.300 3.6818  113.879 3.7529  1.421059       5.257401 
1 1 1 -6  -12 27 o 93.559  2.3751  1175.86   59.494    1201.85   83.610    1149.20   84.674    94.611  3.2993  92.507  3.4173  2.104103       4.750142 
1 1 1 -6  -12 28 o 64.642  2.1039  560.607   36.400    530.826   50.855    591.893   52.123    62.881  3.0194  66.404  2.9305  -3.523178      4.207703 
1 1 1 -6  -12 29 o 102.181 2.5090  1404.07   68.650    1412.89   96.180    1394.91   98.019    102.513 3.5028  101.848 3.5931  0.6649017      5.017932 
1 1 1 -6  -12 30 o 36.230  2.2386  178.831   21.351    198.202   29.850    158.536   30.553    38.295  2.9324  34.164  3.3832  4.130142       4.477198 
1 1 1 -6  -12 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -12 32 o 96.107  2.4796  1246.76   63.787    1268.84   89.120    1223.57   91.339    96.995  3.4303  95.219  3.5813  1.776222       4.959159 
1 1 1 -6  -12 33 o 60.488  2.1582  494.980   34.820    510.783   48.188    477.712   50.372    61.560  2.9225  59.416  3.1767  2.143326       4.316490 
1 1 1 -6  -12 34 o 57.685  2.1811  450.945   33.551    451.786   46.557    450.037   48.392    57.755  3.0201  57.615  3.1477  0.1399078      4.362201 
1 1 1 -6  -12 35 o 62.406  2.2279  528.339   37.139    529.533   51.477    527.043   53.635    62.537  3.0731  62.275  3.2266  0.2620392      4.455892 
1 1 1 -6  -12 36 o 70.172  2.1462  669.550   40.126    650.415   59.379    685.632   54.436    69.196  3.2038  71.147  2.8565  -1.951637      4.292318 
1 1 1 -6  -12 37 o 8.8999  2.5626  2.5984    9.5536    10.323    15.396    -2.2389   12.183    10.367  3.9681  7.4329  3.2437  2.933938       5.125148 
1 1 1 -6  -12 38 o 75.447  2.2836  782.238   45.742    727.710   67.824    827.732   61.952    72.907  3.4732  77.986  2.9658  -5.079514      4.567182 
1 1 1 -6  -12 39 o 77.109  2.2630  813.118   46.538    822.329   69.235    805.525   62.857    77.434  3.3381  76.785  3.0563  0.6492081      4.525922 
1 1 1 -6  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -12 41 o 22.937  2.7799  73.005    15.948    86.091    26.814    65.842    19.838    24.376  4.2620  21.498  3.5704  2.878107       5.559880 
1 1 1 -6  -12 42 o 12.464  2.9095  10.589    12.836    43.729    21.625    -7.4381   15.949    17.095  4.6150  7.8323  3.5444  9.263086       5.819025 
1 1 1 -6  -12 43 o 29.150  2.7180  127.859   19.477    102.795   30.874    144.429   25.103    26.212  4.5634  32.089  2.9538  -5.877426      5.435930 
1 1 1 -6  -12 44 o 11.866  2.9895  10.191    13.016    37.790    21.725    -5.2625   16.257    15.666  4.7583  8.0654  3.6204  7.600216       5.978991 
1 1 1 -6  -12 45 o 11.993  3.2215  14.610    13.762    30.238    24.135    7.0804    16.752    14.250  5.0502  9.7359  4.0011  4.514328       6.443037 
1 1 1 -6  -12 46 o 17.070  3.1827  51.011    16.709    15.497    28.283    70.054    20.710    12.503  5.1747  21.637  3.7069  -9.133663      6.365377 
1 1 1 -6  -12 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -12 48 o 22.970  3.4582  84.695    19.747    96.792    34.066    78.574    24.233    23.619  5.4893  22.321  4.2076  1.298374       6.916372 
1 1 1 -6  -12 49 o 17.393  3.7428  47.543    17.987    81.053    33.210    33.631    21.398    20.710  5.7714  14.076  4.7670  6.634047       7.485564 
1 1 1 -6  -11 1  o 32.032  1.7455  138.277   14.858    141.127   21.030    135.437   20.994    32.365  2.4439  31.698  2.4928  0.6670856      3.490935 
1 1 1 -6  -11 2  o 334.432 6.2154  15028.45  556.707   15277.27  787.872   14780.35  786.734   337.205 8.7231  331.659 8.8562  5.545837       12.43081 
1 1 1 -6  -11 3  f 729.447 13.433  72291.76  2624.14   73614.73  3712.25   70970.43  3709.94   736.211 18.825  722.684 19.166  13.52759       26.86503 
1 1 1 -6  -11 4  o 471.141 8.6573  29903.97  1092.15   30790.31  1545.17   29019.09  1543.89   478.158 12.065  464.124 12.419  14.03342       17.31457 
1 1 1 -6  -11 5  o 290.081 5.4284  11294.16  421.774   11294.61  596.219   11293.71  596.739   290.087 7.6734  290.075 7.6804  0.1214600E-01  10.85681 
1 1 1 -6  -11 6  o 261.711 4.9138  9189.68   344.413   9021.26   486.585   9358.79   487.563   259.304 7.0058  264.118 6.8920  -4.814117      9.827552 
1 1 1 -6  -11 7  o 286.632 5.3602  11026.52  411.519   11061.84  581.643   10991.12  582.310   287.093 7.5639  286.172 7.5969  0.9217529      10.72034 
1 1 1 -6  -11 8  o 192.148 3.6645  4949.64   188.600   4951.08   266.366   4948.18   267.077   192.177 5.1747  192.120 5.1901  0.5686951E-01  7.329061 
1 1 1 -6  -11 9  o 104.028 2.2676  1449.81   63.183    1435.29   89.063    1464.53   89.648    103.503 3.2126  104.552 3.2012  -1.049255      4.535265 
1 1 1 -6  -11 10 o 418.968 7.7738  23624.80  872.372   23721.38  1233.59   23528.18  1233.84   419.829 10.970  418.107 11.018  1.722076       15.54763 
1 1 1 -6  -11 11 o 356.035 6.6375  17044.67  632.810   17500.70  895.195   16589.18  894.661   360.814 9.2629  351.257 9.5092  9.557526       13.27501 
1 1 1 -6  -11 12 o 318.441 5.9161  13626.19  504.604   13646.63  713.830   13605.77  713.407   318.680 8.3628  318.202 8.3704  0.4783630      11.83213 
1 1 1 -6  -11 13 o 109.410 2.4113  1604.94   70.627    1555.09   100.299   1653.96   99.470    107.723 3.4762  111.097 3.3427  -3.374481      4.822591 
1 1 1 -6  -11 14 o 247.165 4.6515  8204.10   307.845   8458.64   436.281   7951.69   434.443   250.992 6.4896  243.337 6.6655  7.654709       9.302919 
1 1 1 -6  -11 15 o 139.463 2.8619  2607.94   106.895   2600.08   152.085   2615.61   150.277   139.254 4.0775  139.672 4.0169  -0.4175110     5.723768 
1 1 1 -6  -11 16 o 108.395 2.3901  1574.32   69.367    1636.62   99.180    1514.66   97.055    110.495 3.3512  106.296 3.4089  4.198631       4.780243 
1 1 1 -6  -11 17 o 179.128 3.5690  4308.33   171.221   4270.02   243.206   4345.97   241.094   178.335 5.0915  179.922 5.0028  -1.586807      7.138058 
1 1 1 -6  -11 18 o 158.663 3.2248  3379.07   137.040   3408.17   194.765   3350.53   192.857   159.339 4.5635  157.986 4.5575  1.352798       6.449536 
1 1 1 -6  -11 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -11 20 o 75.025  2.0343  754.966   40.823    807.110   58.094    704.099   57.378    77.588  2.7954  72.463  2.9563  5.125023       4.068630 
1 1 1 -6  -11 21 o 159.655 3.2597  3425.21   139.384   3375.19   197.146   3475.20   197.091   158.485 4.6442  160.824 4.5754  -2.338898      6.519402 
1 1 1 -6  -11 22 o 137.910 2.9158  2554.45   107.707   2563.49   152.249   2545.38   152.394   138.155 4.1143  137.664 4.1329  0.4906158      5.831692 
1 1 1 -6  -11 23 o 73.337  2.0698  721.500   40.650    735.693   57.407    707.228   57.568    74.061  2.8939  72.612  2.9599  1.449417       4.139570 
1 1 1 -6  -11 24 o 62.561  2.0101  525.049   33.675    529.399   47.220    520.546   48.037    62.826  2.8061  62.296  2.8789  0.5299873      4.020227 
1 1 1 -6  -11 25 o 187.516 3.7472  4735.64   188.194   4776.17   265.511   4694.72   266.788   188.329 5.2635  186.703 5.3349  1.626755       7.494375 
1 1 1 -6  -11 26 f 127.584 2.8180  2187.10   96.291    2183.72   135.307   2190.56   137.062   127.486 3.9625  127.681 4.0078  -0.1947708     5.635911 
1 1 1 -6  -11 27 o 64.390  2.0833  556.843   35.889    569.623   49.950    543.206   51.600    65.158  2.8621  63.622  3.0280  1.535763       4.166526 
1 1 1 -6  -11 28 o 52.560  2.0995  372.491   29.392    385.386   40.953    358.794   42.209    53.512  2.8676  51.608  3.0673  1.903755       4.198976 
1 1 1 -6  -11 29 o 215.319 4.2806  6277.96   246.793   6430.18   347.853   6123.69   350.196   217.984 5.9578  212.654 6.1482  5.329865       8.561278 
1 1 1 -6  -11 30 o 117.620 2.7285  1864.35   85.886    1923.00   120.354   1803.50   122.600   119.522 3.7594  115.717 3.9555  3.804962       5.457045 
1 1 1 -6  -11 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -11 32 o 50.059  2.1749  338.320   28.995    331.346   40.040    346.009   42.044    49.521  3.0333  50.597  3.1176  -1.075699      4.349704 
1 1 1 -6  -11 33 o 104.705 2.6093  1482.30   73.149    1479.92   101.973   1484.83   104.991   104.632 3.6386  104.778 3.7410  -0.1459351     5.218668 
1 1 1 -6  -11 34 o 34.919  2.5870  161.692   22.834    149.656   28.057    185.298   39.292    33.126  3.2021  36.712  4.0641  -3.585201      5.173968 
1 1 1 -6  -11 35 o 60.692  2.0201  495.563   32.743    526.650   48.622    469.766   44.292    62.415  2.9084  58.968  2.8043  3.447693       4.040143 
1 1 1 -6  -11 36 o 68.866  2.1110  641.394   38.816    659.489   57.534    626.277   52.587    69.729  3.0805  68.003  2.8871  1.726273       4.221943 
1 1 1 -6  -11 37 o 23.647  2.4186  77.098    14.649    81.353    23.022    74.203    18.990    24.135  3.6775  23.159  3.1425  0.9762917      4.837292 
1 1 1 -6  -11 38 o 49.929  2.0883  339.129   27.496    347.495   42.332    333.025   36.162    50.397  3.1518  49.461  2.7403  0.9361115      4.176533 
1 1 1 -6  -11 39 o 28.229  2.3773  106.715   17.283    133.688   27.871    89.862    22.031    31.046  3.4077  25.412  3.3157  5.633471       4.754559 
1 1 1 -6  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -11 41 o 10.801  3.0333  9.8094    12.465    11.454    21.777    9.0082    15.201    11.622  4.6390  9.9807  3.9094  1.641237       6.066652 
1 1 1 -6  -11 42 o 24.161  2.9664  87.435    17.514    77.025    29.240    93.260    21.872    22.607  4.9648  25.714  3.2481  -3.107481      5.932894 
1 1 1 -6  -11 43 o 14.489  3.2661  28.083    13.664    41.406    24.031    21.717    16.610    16.497  5.0030  12.481  4.2001  4.016221       6.532289 
1 1 1 -6  -11 44 o 13.230  3.3220  22.557    13.884    31.785    25.070    18.475    16.675    14.708  5.1529  11.752  4.1942  2.955895       6.644045 
1 1 1 -6  -11 45 o 8.0220  2.5907  -13.2841  11.819    3.8714    20.382    -21.9754  14.507    10.027  4.2838  6.0168  2.9147  4.010343       5.181359 
1 1 1 -6  -11 46 o 17.464  3.4435  48.623    16.218    50.603    27.518    47.570    20.075    17.481  5.3643  17.447  4.3190  0.3407097E-01  6.886939 
1 1 1 -6  -11 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -11 48 o 26.708  3.4779  119.789   22.537    107.751   38.276    126.177   27.883    24.537  5.8970  28.879  3.6890  -4.341404      6.955828 
1 1 1 -6  -11 49 o 18.866  3.6848  67.119    19.299    52.841    35.028    73.343    23.126    16.460  6.0503  21.273  4.2078  -4.812363      7.369697 
1 1 1 -6  -10 1  o 606.857 11.196  49750.73  1819.50   50971.24  2574.54   48532.84  2571.77   614.355 15.646  599.359 16.020  14.99567       22.39235 
1 1 1 -6  -10 2  o 516.152 9.4698  35895.02  1308.81   36935.87  1852.05   34856.68  1849.82   523.670 13.204  508.634 13.578  15.03568       18.93953 
1 1 1 -6  -10 3  o 122.608 2.6243  2014.14   86.183    2005.99   121.853   2022.29   121.910   122.360 3.7180  122.856 3.7047  -0.4962463     5.248636 
1 1 1 -6  -10 4  o 323.922 6.0048  14084.39  520.940   14298.22  736.753   13870.61  736.690   326.386 8.4276  321.457 8.5560  4.928528       12.00955 
1 1 1 -6  -10 5  o 305.359 5.6766  12512.89  464.263   12340.50  656.144   12685.73  656.990   303.249 8.0781  307.470 7.9775  -4.220093      11.35326 
1 1 1 -6  -10 6  o 374.522 6.9700  18841.42  699.197   18766.08  988.427   18916.88  989.203   373.771 9.8730  375.273 9.8412  -1.502350      13.94008 
1 1 1 -6  -10 7  o 173.300 3.3854  4025.88   157.100   4129.79   221.933   3921.51   222.415   175.543 4.7201  171.056 4.8544  4.487305       6.770847 
1 1 1 -6  -10 8  o 168.745 3.2934  3816.07   148.853   3815.97   210.200   3816.17   210.821   168.743 4.6507  168.747 4.6643  -0.3967285E-02 6.586725 
1 1 1 -6  -10 9  o 170.814 3.3611  3910.74   153.763   3970.09   217.302   3851.22   217.607   172.113 4.7137  169.515 4.7926  2.598267       6.722218 
1 1 1 -6  -10 10 o 449.204 8.2808  27148.44  996.325   26990.53  1408.80   27306.44  1409.23   447.891 11.743  450.516 11.678  -2.625000      16.56166 
1 1 1 -6  -10 11 f 287.411 5.4173  11085.79  417.029   11152.53  590.015   11019.17  589.521   288.277 7.6413  286.545 7.6810  1.731842       10.83451 
1 1 1 -6  -10 12 o 239.586 4.5069  7699.48   289.195   7835.19   409.560   7564.54   408.410   241.694 6.3265  237.478 6.4207  4.216537       9.013888 
1 1 1 -6  -10 13 o 327.904 6.0861  14445.17  534.437   14778.24  756.793   14113.82  754.827   331.685 8.5185  324.122 8.6946  7.562347       12.17213 
1 1 1 -6  -10 14 o 168.401 3.3043  3801.84   149.040   3803.05   211.691   3800.66   209.870   168.426 4.6925  168.375 4.6535  0.5151367E-01  6.608700 
1 1 1 -6  -10 15 o 169.702 3.3731  3862.15   153.302   3824.85   217.819   3898.77   215.799   168.888 4.8151  170.516 4.7249  -1.628174      6.746147 
1 1 1 -6  -10 16 o 343.250 6.4236  15865.43  590.577   15835.17  836.252   15895.54  834.156   342.919 9.1045  343.581 9.0642  -0.6613770     12.84725 
1 1 1 -6  -10 17 o 183.385 3.6171  4513.21   177.665   4523.56   252.086   4503.01   250.434   183.593 5.1263  183.177 5.1043  0.4159088      7.234111 
1 1 1 -6  -10 18 o 280.802 5.3066  10617.20  399.118   10605.18  564.939   10629.19  563.940   280.641 7.5155  280.963 7.4937  -0.3218689     10.61313 
1 1 1 -6  -10 19 o 107.917 2.4373  1561.79   70.448    1578.09   99.816    1545.61   99.443    108.479 3.4353  107.356 3.4583  1.123413       4.874523 
1 1 1 -6  -10 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -10 21 o 148.969 3.1062  2980.43   123.941   2969.10   175.107   2991.81   175.453   148.685 4.3969  149.253 4.3888  -0.5682983     6.212455 
1 1 1 -6  -10 22 o 102.480 2.4108  1409.06   66.173    1396.74   93.248    1421.56   93.922    102.029 3.4122  102.931 3.4067  -0.9026031     4.821631 
1 1 1 -6  -10 23 o 296.582 5.6385  11910.45  447.900   11767.39  632.682   12054.19  634.173   294.780 8.0131  298.383 7.9350  -3.602570      11.27708 
1 1 1 -6  -10 24 o 139.399 2.9783  2611.12   111.194   2622.52   156.535   2599.50   157.979   139.709 4.1831  139.089 4.2405  0.6206055      5.956531 
1 1 1 -6  -10 25 o 191.736 3.8512  4952.00   197.776   4963.45   278.780   4940.40   280.625   191.964 5.4219  191.508 5.4708  0.4562683      7.702404 
1 1 1 -6  -10 26 o 203.227 4.0368  5567.47   219.728   5489.56   309.569   5646.58   311.931   201.790 5.7276  204.664 5.6902  -2.874252      8.073615 
1 1 1 -6  -10 27 o 99.428  2.4559  1328.00   65.369    1349.32   91.406    1305.67   93.522    100.250 3.4041  98.605  3.5410  1.644928       4.911865 
1 1 1 -6  -10 28 o 231.028 4.5137  7217.46   279.298   7122.50   393.530   7313.83   396.459   229.490 6.4021  232.565 6.3645  -3.075134      9.027421 
1 1 1 -6  -10 29 o 157.968 3.3225  3363.75   140.525   3432.78   197.469   3292.92   200.021   159.627 4.6185  156.309 4.7775  3.318024       6.644958 
1 1 1 -6  -10 30 o 30.440  2.3357  125.479   18.697    117.572   25.464    134.729   27.542    29.394  3.2907  31.486  3.3155  -2.092661      4.671367 
1 1 1 -6  -10 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -10 32 o 21.943  2.9345  66.744    16.505    46.373    22.385    91.008    24.431    18.159  4.5979  25.727  3.6474  -7.568752      5.868918 
1 1 1 -6  -10 33 o 16.934  2.7459  40.622    12.036    38.092    18.918    42.343    15.602    16.459  4.2586  17.410  3.4676  -0.9506721     5.491840 
1 1 1 -6  -10 34 o 89.975  2.3393  1094.56   56.260    1091.74   82.170    1097.04   77.190    89.839  3.4148  90.111  3.1981  -0.2726517     4.678524 
1 1 1 -6  -10 35 o 61.985  2.0513  516.810   33.900    543.381   50.904    495.634   45.443    63.391  2.9980  60.579  2.8007  2.812057       4.102679 
1 1 1 -6  -10 36 o 57.218  2.1021  448.625   31.720    410.534   47.531    479.212   42.592    54.895  3.2470  59.540  2.6708  -4.644760      4.204298 
1 1 1 -6  -10 37 o 31.442  2.2493  137.683   18.206    125.586   28.233    146.293   23.820    30.132  3.5675  32.752  2.7405  -2.620119      4.498562 
1 1 1 -6  -10 38 o 20.905  2.7621  61.853    14.459    61.817    23.653    61.874    18.269    20.769  4.3893  21.041  3.3542  -0.2719536     5.524171 
1 1 1 -6  -10 39 o 51.515  2.1547  363.110   29.161    365.210   45.295    361.623   38.110    51.546  3.2980  51.484  2.7738  0.6156540E-01  4.309361 
1 1 1 -6  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -10 41 o 45.381  2.2115  282.862   26.263    297.267   41.497    273.237   33.921    46.220  3.3753  44.542  2.8583  1.678062       4.422969 
1 1 1 -6  -10 42 o 20.400  3.1491  69.879    16.679    34.170    28.157    89.183    20.703    15.615  5.4615  25.185  3.1370  -9.570267      6.298298 
1 1 1 -6  -10 43 o 15.444  3.0224  38.761    14.157    12.220    24.762    51.649    17.256    12.031  4.8950  18.856  3.5467  -6.825424      6.044859 
1 1 1 -6  -10 44 o 14.722  2.7862  33.207    14.627    -10.9781  24.137    58.851    18.388    9.3904  4.2924  20.054  3.5534  -10.66346      5.572425 
1 1 1 -6  -10 45 o 9.0874  2.8482  -9.3608   12.344    13.496    24.156    -17.4389  14.360    11.857  4.8306  6.3182  3.0189  5.538365       5.696321 
1 1 1 -6  -10 46 o 30.594  2.9613  145.351   21.947    128.764   36.772    154.529   27.353    28.436  5.0110  32.751  3.1573  -4.314632      5.922694 
1 1 1 -6  -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -10 48 o 11.864  3.3791  15.647    15.083    23.763    28.622    12.527    17.747    13.195  5.3002  10.534  4.1931  2.661127       6.758246 
1 1 1 -6  -10 49 o 31.897  3.3092  169.913   25.084    162.016   43.750    173.781   30.616    29.931  5.6647  33.863  3.4224  -3.932682      6.618339 
1 1 1 -6  -9  1  o 226.749 4.3419  6893.50   263.679   7011.52   373.416   6776.12   372.383   228.686 6.0963  224.811 6.1842  3.875122       8.683817 
1 1 1 -6  -9  2  o 368.896 6.8325  18275.58  674.994   18675.36  955.105   17876.67  954.067   372.937 9.5615  364.855 9.7627  8.082153       13.66501 
1 1 1 -6  -9  3  o 97.824  2.2223  1282.10   58.220    1305.68   82.264    1258.43   82.406    98.725  3.1109  96.922  3.1743  1.803131       4.444571 
1 1 1 -6  -9  4  o 432.525 7.9579  25146.29  921.794   25659.32  1303.76   24633.50  1303.47   436.952 11.140  428.098 11.368  8.854309       15.91589 
1 1 1 -6  -9  5  o 229.960 4.3776  7091.76   269.529   7315.89   381.002   6867.24   381.341   233.602 6.0892  226.318 6.2908  7.284119       8.755137 
1 1 1 -6  -9  6  o 602.047 11.122  48885.18  1793.24   49726.04  2536.34   48044.73  2535.72   607.260 15.593  596.835 15.862  10.42517       22.24322 
1 1 1 -6  -9  7  o 569.484 10.434  43702.13  1591.59   43591.44  2250.45   43812.89  2251.25   568.758 14.772  570.209 14.740  -1.450562      20.86856 
1 1 1 -6  -9  8  o 771.159 14.240  80574.27  2941.04   81658.32  4159.84   79490.82  4158.68   776.405 20.003  765.914 20.272  10.49115       28.47918 
1 1 1 -6  -9  9  o 617.071 11.306  51377.02  1868.58   50963.49  2642.15   51790.81  2642.98   614.569 16.051  619.573 15.926  -5.004150      22.61136 
1 1 1 -6  -9  10 o 697.038 12.803  65715.56  2389.79   67226.45  3381.01   64207.07  3378.33   705.121 17.902  688.954 18.307  16.16687       25.60516 
1 1 1 -6  -9  11 o 339.511 6.3054  15475.64  573.360   15685.92  811.498   15266.02  810.210   341.819 8.8635  337.202 8.9705  4.616241       12.61075 
1 1 1 -6  -9  12 o 287.508 5.3573  11094.33  412.304   11572.71  584.231   10619.68  581.948   293.694 7.4268  281.321 7.7231  12.37360       10.71464 
1 1 1 -6  -9  13 o 110.711 2.4318  1641.56   72.076    1716.11   102.960   1569.90   100.932   113.176 3.3964  108.246 3.4812  4.929680       4.863561 
1 1 1 -6  -9  14 o 418.243 7.7356  23536.61  866.552   23793.16  1226.77   23281.13  1224.22   420.526 10.891  415.959 10.988  4.566589       15.47115 
1 1 1 -6  -9  15 o 43.280  1.7570  251.389   20.266    264.166   29.295    239.662   28.067    44.338  2.4767  42.223  2.4928  2.114216       3.513940 
1 1 1 -6  -9  16 o 183.703 3.6106  4525.78   177.657   4554.31   251.912   4497.55   250.583   184.279 5.1037  183.127 5.1087  1.152206       7.221238 
1 1 1 -6  -9  17 o 376.708 7.0201  19130.23  708.248   18791.45  1001.60   19469.02  1001.62   373.350 10.016  380.065 9.8391  -6.715210      14.04019 
1 1 1 -6  -9  18 o 231.382 4.4462  7193.11   275.555   7216.81   389.721   7169.42   389.666   231.765 6.2780  231.000 6.2978  0.7646027      8.892439 
1 1 1 -6  -9  19 o 191.281 3.7696  4914.20   193.115   4838.83   272.926   4989.77   273.285   189.808 5.3684  192.753 5.2933  -2.945465      7.539105 
1 1 1 -6  -9  20 o 300.445 5.7009  12184.12  458.644   11834.34  647.954   12535.34  649.289   296.092 8.1701  304.798 7.9531  -8.706238      11.40188 
1 1 1 -6  -9  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -9  22 o 90.634  2.2634  1102.28   54.924    1126.19   77.198    1077.77   78.159    91.632  3.1453  89.635  3.2555  1.996674       4.526723 
1 1 1 -6  -9  23 o 234.485 4.5506  7414.80   285.808   7406.36   403.290   7423.33   405.102   234.354 6.4248  234.617 6.4464  -0.2628784     9.101298 
1 1 1 -6  -9  24 o 115.651 2.6393  1795.36   81.747    1759.71   114.665   1832.21   116.573   114.483 3.7394  116.819 3.7256  -2.335503      5.278545 
1 1 1 -6  -9  25 o 243.367 4.7327  8001.39   308.452   8138.22   435.233   7863.32   437.206   245.480 6.6194  241.254 6.7659  4.226639       9.465345 
1 1 1 -6  -9  26 o 187.816 3.7723  4750.91   189.763   4726.52   267.102   4775.77   269.647   187.332 5.3232  188.301 5.3463  -0.9690094     7.544533 
1 1 1 -6  -9  27 o 164.629 3.4184  3648.57   150.694   3711.88   211.921   3583.82   214.327   166.085 4.7638  163.172 4.9039  2.913300       6.836824 
1 1 1 -6  -9  28 o 34.741  2.2438  165.681   20.317    184.488   27.630    143.541   29.978    36.975  2.8109  32.506  3.4982  4.469269       4.487565 
1 1 1 -6  -9  29 o 76.400  2.2467  784.927   45.904    811.185   63.888    756.905   66.000    77.729  3.0686  75.070  3.2824  2.659218       4.493385 
1 1 1 -6  -9  30 o 65.976  2.1818  584.806   38.537    586.370   53.715    583.147   55.319    66.070  3.0353  65.882  3.1348  0.1883926      4.363520 
1 1 1 -6  -9  31 o 22.054  2.6846  63.775    14.879    97.386    23.923    42.570    19.002    26.686  3.4259  17.422  4.1342  9.264585       5.369242 
1 1 1 -6  -9  32 o 62.703  2.1217  533.229   35.275    494.451   52.069    566.122   47.957    60.516  3.2240  64.890  2.7592  -4.374016      4.243476 
1 1 1 -6  -9  33 o 73.281  2.1375  719.850   41.842    775.419   61.981    673.320   56.717    75.862  3.0503  70.699  2.9951  5.162956       4.274904 
1 1 1 -6  -9  34 o 107.967 2.5695  1577.99   74.206    1585.67   107.910   1571.10   102.209   108.187 3.7239  107.748 3.5415  0.4390335      5.139060 
1 1 1 -6  -9  35 o 76.425  2.2090  790.509   45.047    787.498   66.594    793.049   61.163    76.256  3.2604  76.594  2.9813  -0.3379517     4.417983 
1 1 1 -6  -9  36 o 56.962  2.0326  432.047   30.616    529.568   46.662    358.331   40.569    62.570  2.7842  51.354  2.9620  11.21662       4.065129 
1 1 1 -6  -9  37 o 51.665  2.0483  360.495   28.050    385.586   42.642    341.357   37.241    53.213  3.0041  50.117  2.7853  3.095562       4.096591 
1 1 1 -6  -9  38 o 10.077  2.7541  7.8960    10.354    15.095    17.061    3.6993    13.026    11.534  4.2251  8.6206  3.5338  2.913532       5.508100 
1 1 1 -6  -9  39 o 51.095  2.1614  357.830   29.041    355.539   44.796    359.491   38.142    50.858  3.3064  51.332  2.7846  -0.4742050     4.322759 
1 1 1 -6  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -9  41 o 28.813  2.6381  121.065   18.808    103.406   30.320    132.111   23.979    26.741  4.3852  30.885  2.9338  -4.144726      5.276132 
1 1 1 -6  -9  42 o 62.427  2.2569  536.801   37.245    575.857   57.841    509.137   48.680    64.178  3.3767  60.676  2.9953  3.502377       4.513767 
1 1 1 -6  -9  43 o 40.492  2.3198  222.591   24.423    277.907   39.775    189.112   30.944    44.340  3.3744  36.645  3.1843  7.695705       4.639632 
1 1 1 -6  -9  44 o 16.260  3.4015  41.032    15.349    37.956    27.301    42.453    18.559    15.781  5.3844  16.740  4.1580  -0.9584570     6.803027 
1 1 1 -6  -9  45 o 38.175  2.4750  202.744   24.251    246.495   40.846    178.928   30.137    41.027  3.7588  35.323  3.2207  5.703941       4.949922 
1 1 1 -6  -9  46 o 11.045  3.0423  -5.3856   13.224    39.937    26.133    -20.9864  15.332    15.773  5.2685  6.3166  3.0440  9.456873       6.084674 
1 1 1 -6  -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -9  48 o 20.520  3.1621  53.372    17.568    131.288   32.295    20.627    20.936    28.890  4.3050  12.151  4.6329  16.73957       6.324284 
1 1 1 -6  -9  49 o 17.619  3.6115  59.531    18.679    39.803    34.641    67.619    22.180    14.852  5.8752  20.385  4.2018  -5.533541      7.223060 
1 1 1 -6  -8  1  o 374.173 6.9107  18800.59  692.558   18556.30  979.610   19044.70  979.240   371.736 9.8385  376.610 9.7075  -4.873596      13.82144 
1 1 1 -6  -8  2  o 325.911 6.0566  14257.71  528.475   14760.47  747.893   13756.34  746.862   331.662 8.4189  320.160 8.7093  11.50189       12.11323 
1 1 1 -6  -8  3  o 440.932 8.1237  26137.08  959.191   26823.36  1356.89   25451.58  1356.11   446.739 11.340  435.125 11.636  11.61429       16.24741 
1 1 1 -6  -8  4  o 594.294 10.928  47614.37  1739.56   47580.45  2459.71   47648.31  2460.52   594.081 15.458  594.506 15.452  -0.4250488     21.85645 
1 1 1 -6  -8  5  o 54.017  1.6341  390.877   23.637    393.108   33.114    388.559   33.751    54.175  2.2820  53.860  2.3396  0.3146057      3.268224 
1 1 1 -6  -8  6  o 496.853 9.0799  33214.00  1208.31   32825.57  1708.14   33603.03  1709.47   493.933 12.911  499.773 12.770  -5.840179      18.15980 
1 1 1 -6  -8  7  o 887.279 16.304  107001.60 3874.73   107713.10 5480.02   106290.40 5479.38   890.272 22.981  884.287 23.134  5.984863       32.60841 
1 1 1 -6  -8  8  o 578.942 10.622  45172.04  1647.17   44816.58  2329.06   45527.72  2329.83   576.650 15.079  581.235 14.965  -4.584778      21.24482 
1 1 1 -6  -8  9  o 131.170 2.7233  2305.19   95.679    2320.49   135.496   2289.97   135.127   131.604 3.8438  130.736 3.8588  0.8685303      5.446634 
1 1 1 -6  -8  10 o 211.004 4.0367  5968.18   228.134   6040.10   323.152   5896.72   322.110   212.272 5.6836  209.736 5.7338  2.536346       8.073417 
1 1 1 -6  -8  11 o 96.181  2.2280  1238.84   57.321    1328.28   81.995    1153.35   80.164    99.576  3.0743  92.786  3.2256  6.789886       4.455966 
1 1 1 -6  -8  12 o 689.323 12.663  64257.86  2337.55   65737.80  3307.99   62781.85  3303.59   697.323 17.711  681.323 18.103  16.00098       25.32560 
1 1 1 -6  -8  13 o 491.551 9.0758  32529.07  1194.91   32823.98  1691.19   32235.08  1688.53   493.786 12.787  489.317 12.883  4.468750       18.15169 
1 1 1 -6  -8  14 o 143.712 2.9580  2767.52   113.860   2781.30   161.848   2754.02   160.210   144.066 4.1943  143.359 4.1723  0.7078247      5.916070 
1 1 1 -6  -8  15 o 359.813 6.6960  17398.59  645.327   17384.29  913.015   17412.87  912.245   359.665 9.4774  359.962 9.4616  -0.2975769     13.39195 
1 1 1 -6  -8  16 o 578.721 10.692  45318.91  1657.30   45737.40  2344.21   44900.73  2343.34   581.419 15.053  576.023 15.188  5.395264       21.38386 
1 1 1 -6  -8  17 o 288.444 5.4349  11179.27  419.897   11151.66  593.717   11206.90  593.932   288.087 7.6943  288.801 7.6780  -0.7146301     10.86984 
1 1 1 -6  -8  18 o 194.344 3.8200  5068.67   198.837   4998.54   280.834   5139.16   281.564   192.993 5.4327  195.694 5.3717  -2.700211      7.640011 
1 1 1 -6  -8  19 o 285.434 5.3938  10967.86  412.326   10754.60  582.423   11182.14  583.812   282.640 7.6934  288.229 7.5622  -5.588623      10.78769 
1 1 1 -6  -8  20 o 28.887  1.9382  113.036   14.785    119.901   20.798    106.023   21.023    29.794  2.6333  27.980  2.8448  1.813997       3.876479 
1 1 1 -6  -8  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -8  22 o 121.091 2.6866  1967.92   87.130    1968.94   122.438   1966.88   124.018   121.124 3.7739  121.057 3.8248  0.6700134E-01  5.373208 
1 1 1 -6  -8  23 o 220.690 4.3007  6562.71   254.109   6315.43   358.205   6813.23   360.536   216.484 6.1776  224.897 5.9852  -8.412766      8.601430 
1 1 1 -6  -8  24 o 131.027 2.8525  2305.71   100.105   2293.42   140.685   2318.30   142.472   130.675 4.0195  131.379 4.0487  -0.7042542     5.705071 
1 1 1 -6  -8  25 o 84.323  2.2339  953.982   50.436    951.645   70.366    956.451   72.330    84.219  3.1194  84.427  3.1985  -0.2084122     4.467746 
1 1 1 -6  -8  26 o 92.837  2.3771  1156.31   59.097    1125.39   82.590    1188.74   84.597    91.566  3.3675  94.109  3.3561  -2.542938      4.754280 
1 1 1 -6  -8  27 o 265.223 5.1288  9525.50   364.260   9737.40   514.123   9311.91   516.166   268.223 7.1562  262.222 7.3490  6.000916       10.25765 
1 1 1 -6  -8  28 o 117.152 2.6983  1843.65   84.660    1811.43   118.605   1877.13   120.882   116.109 3.8137  118.195 3.8183  -2.086609      5.396646 
1 1 1 -6  -8  29 o 80.401  2.1638  864.101   46.421    977.902   67.922    764.353   63.590    85.353  2.9710  75.450  3.1466  9.903313       4.327569 
1 1 1 -6  -8  30 o 129.400 2.8787  2258.26   99.589    2154.69   142.945   2355.94   138.826   126.487 4.2193  132.313 3.9172  -5.826149      5.757332 
1 1 1 -6  -8  31 o 128.235 2.8439  2217.62   97.588    2187.67   140.559   2245.50   135.596   127.378 4.1198  129.092 3.9216  -1.713409      5.687805 
1 1 1 -6  -8  32 o 114.600 3.3227  1854.08   95.612    2038.33   120.368   1539.05   157.391   122.957 3.6548  106.243 5.5501  16.71484       6.645441 
1 1 1 -6  -8  33 o 61.891  2.0965  517.348   34.464    509.219   51.521    523.932   46.366    61.389  3.1438  62.393  2.7744  -1.004017      4.192976 
1 1 1 -6  -8  34 o 63.017  2.0845  534.395   35.020    548.107   52.391    523.320   47.085    63.727  3.0694  62.306  2.8214  1.420338       4.169065 
1 1 1 -6  -8  35 o 37.520  2.0693  188.744   20.468    212.447   31.463    171.354   26.950    39.534  2.9935  35.507  2.8579  4.027283       4.138646 
1 1 1 -6  -8  36 o 35.224  2.1173  166.098   19.590    193.511   30.391    146.611   25.623    37.672  3.0377  32.776  2.9503  4.895931       4.234632 
1 1 1 -6  -8  37 f 59.405  2.1105  478.776   33.285    486.719   50.252    472.568   44.429    59.759  3.1507  59.051  2.8090  0.7077789      4.221050 
1 1 1 -6  -8  38 o 36.738  2.2028  183.807   21.167    192.411   33.111    177.860   27.527    37.402  3.3402  36.075  2.8726  1.327442       4.405563 
1 1 1 -6  -8  39 o 44.541  2.2258  276.693   25.674    250.329   39.987    295.182   33.487    42.555  3.5403  46.527  2.6987  -3.971756      4.451593 
1 1 1 -6  -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -8  41 o 53.659  2.2606  399.137   31.782    396.140   49.576    401.228   41.410    53.319  3.4906  53.999  2.8734  -0.6801224     4.521138 
1 1 1 -6  -8  42 o 15.470  3.2280  37.009    14.844    19.781    25.584    45.753    18.226    13.270  5.1065  17.671  3.9501  -4.400755      6.455991 
1 1 1 -6  -8  43 o 32.041  2.4951  143.307   20.407    159.808   33.913    133.939   25.552    33.266  3.8789  30.816  3.1395  2.450512       4.990217 
1 1 1 -6  -8  44 f 26.667  2.8410  100.534   18.813    121.443   32.677    90.168    23.008    28.413  4.4389  24.921  3.5470  3.492373       5.681987 
1 1 1 -6  -8  45 o 22.352  3.3191  76.499    18.161    82.024    32.261    73.936    21.973    22.422  5.4296  22.282  3.8190  0.1399021      6.638154 
1 1 1 -6  -8  46 o 11.805  3.1804  6.2148    14.457    39.479    25.702    -9.1795   17.485    15.702  5.2242  7.9072  3.6288  7.795199       6.360861 
1 1 1 -6  -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -8  48 o 10.049  3.1253  -5.1196   14.943    21.051    28.166    -15.3713  17.629    12.805  5.2165  7.2924  3.4435  5.512754       6.250592 
1 1 1 -6  -8  49 o 14.334  3.7546  34.474    17.640    39.760    35.067    32.683    20.410    14.786  5.8916  13.882  4.6559  0.9045982      7.509192 
1 1 1 -6  -7  1  o 390.355 7.2279  20475.80  755.198   21378.51  1069.03   19576.52  1067.00   398.971 10.004  381.739 10.435  17.23257       14.45578 
1 1 1 -6  -7  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -7  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -7  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -7  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -7  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -7  7  o 528.560 9.7179  37622.38  1375.58   36830.98  1944.64   38414.96  1946.09   522.967 13.883  534.153 13.602  -11.18622      19.43578 
1 1 1 -6  -7  8  o 330.761 6.1023  14683.10  540.627   14639.30  764.616   14726.90  764.508   330.267 8.6435  331.256 8.6165  -0.9888916     12.20465 
1 1 1 -6  -7  9  o 523.811 9.6612  36942.44  1355.40   37460.29  1917.67   36425.50  1915.97   527.497 13.573  520.124 13.753  7.373047       19.32248 
1 1 1 -6  -7  10 o 358.381 6.5995  17243.54  633.481   17125.55  896.581   17361.15  895.175   357.153 9.3723  359.609 9.2937  -2.455750      13.19898 
1 1 1 -6  -7  11 o 515.642 9.4906  35790.60  1310.78   35986.93  1854.86   35594.75  1852.57   517.060 13.393  514.224 13.450  2.836304       18.98123 
1 1 1 -6  -7  12 o 362.241 6.7278  17621.01  652.695   17327.85  923.756   17913.28  922.346   359.224 9.6007  365.259 9.4277  -6.035278      13.45564 
1 1 1 -6  -7  13 o 237.447 4.5360  7560.60   288.427   7760.50   408.745   7362.35   407.056   240.577 6.3432  234.318 6.4857  6.258911       9.072002 
1 1 1 -6  -7  14 o 320.970 6.0112  13832.57  516.579   13371.22  730.400   14294.31  730.706   315.602 8.6404  326.339 8.3596  -10.73685      12.02242 
1 1 1 -6  -7  15 o 300.519 5.6330  12122.98  453.345   11864.10  640.866   12382.29  641.389   297.300 8.0479  303.737 7.8838  -6.437103      11.26599 
1 1 1 -6  -7  16 f 479.008 8.8617  30922.81  1136.94   30630.37  1607.36   31215.63  1608.38   476.728 12.588  481.288 12.477  -4.559753      17.72340 
1 1 1 -6  -7  17 o 42.019  1.8055  237.581   20.209    244.321   28.328    230.597   28.838    42.633  2.4916  41.406  2.6137  1.226917       3.611020 
1 1 1 -6  -7  18 o 346.734 6.4924  16185.39  602.935   15984.17  851.854   16387.39  853.508   344.565 9.2301  348.903 9.1330  -4.338196      12.98484 
1 1 1 -6  -7  19 o 302.333 5.7151  12305.46  462.791   12409.77  653.799   12200.70  655.174   303.626 8.0393  301.041 8.1253  2.585052       11.43027 
1 1 1 -6  -7  20 o 289.135 5.4837  11264.45  424.621   11018.98  599.495   11511.57  601.518   285.957 7.8270  292.312 7.6827  -6.354614      10.96747 
1 1 1 -6  -7  21 o 272.626 6.3869  10043.68  440.451   10081.20  760.210   10024.72  540.392   272.567 10.413  272.685 7.3988  -0.1179504     12.77379 
1 1 1 -6  -7  22 o 133.700 4.1198  2407.53   146.957   2138.88   205.660   2687.81   210.067   126.043 6.0918  141.357 5.5482  -15.31458      8.239640 
1 1 1 -6  -7  23 o 137.095 2.9624  2528.18   108.566   2697.18   152.999   2356.79   154.076   141.731 4.0303  132.458 4.3428  9.272568       5.924760 
1 1 1 -6  -7  24 f 348.767 6.6270  16540.36  619.023   16751.62  874.700   16328.39  876.163   351.037 9.3029  346.498 9.4405  4.539429       13.25393 
1 1 1 -6  -7  25 o 117.823 2.6687  1863.62   84.192    1798.16   118.111   1931.25   120.045   115.717 3.8107  119.929 3.7371  -4.212021      5.337332 
1 1 1 -6  -7  26 o 87.877  2.2525  1035.76   52.985    1050.28   76.517    1022.38   73.442    88.467  3.2292  87.288  3.1412  1.178169       4.504967 
1 1 1 -6  -7  27 o 135.129 2.9047  2452.01   105.030   2610.10   150.666   2302.57   146.492   139.371 4.0360  130.888 4.1785  8.483521       5.809443 
1 1 1 -6  -7  28 o 102.000 2.4225  1396.26   66.139    1415.93   95.594    1378.20   91.602    102.685 3.4757  101.315 3.3755  1.369438       4.845046 
1 1 1 -6  -7  29 o 152.407 3.2250  3132.47   131.435   2980.71   187.997   3277.57   183.829   148.762 4.7181  156.052 4.3980  -7.290115      6.450047 
1 1 1 -6  -7  30 o 40.993  2.1406  233.715   22.594    183.973   33.682    274.411   30.466    36.835  3.4542  45.150  2.5294  -8.315437      4.281263 
1 1 1 -6  -7  31 o 18.977  2.7128  49.532    13.247    57.490    20.124    43.446    17.597    20.331  3.8360  17.623  3.8369  2.708735       5.425575 
1 1 1 -6  -7  32 o 113.340 3.1911  1748.88   93.148    1779.32   117.269   1696.85   153.326   114.849 3.8121  111.832 5.1187  3.016228       6.382267 
1 1 1 -6  -7  33 o 96.453  2.5132  1267.58   64.318    1120.95   93.644    1398.52   88.492    91.059  3.8394  101.846 3.2439  -10.78722      5.026358 
1 1 1 -6  -7  34 o 58.040  2.0263  449.520   31.261    514.013   47.217    399.192   41.711    61.745  2.8550  54.336  2.8762  7.408646       4.052662 
1 1 1 -6  -7  35 f 50.846  2.0325  348.233   27.370    367.190   41.693    333.877   36.282    52.032  3.0044  49.661  2.7382  2.370300       4.065003 
1 1 1 -6  -7  36 o 54.844  2.0702  406.512   30.082    423.562   45.733    393.509   39.939    55.818  3.0707  53.869  2.7775  1.948875       4.140482 
1 1 1 -6  -7  37 o 28.571  2.2862  112.091   16.840    113.908   26.636    110.882   21.735    28.688  3.5416  28.453  2.8921  0.2351589      4.572460 
1 1 1 -6  -7  38 o 20.804  2.7068  58.098    14.243    79.947    23.179    44.845    18.053    23.875  3.7481  17.734  3.9062  6.140919       5.413517 
1 1 1 -6  -7  39 o 58.533  2.2151  470.656   34.151    457.539   52.427    480.326   45.011    57.668  3.4093  59.399  2.8291  -1.730728      4.430248 
1 1 1 -6  -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -7  41 o 43.869  2.2400  257.529   25.670    324.398   41.161    214.970   32.838    48.375  3.1947  39.364  3.1407  9.011002       4.479949 
1 1 1 -6  -7  42 o 15.087  3.3954  32.940    14.908    31.580    26.216    33.590    18.124    15.070  5.2699  15.104  4.2830  -0.3368950E-01 6.790868 
1 1 1 -6  -7  43 o 23.914  2.8375  76.301    16.815    122.164   28.814    52.615    20.707    29.074  3.7901  18.753  4.2239  10.32122       5.675086 
1 1 1 -6  -7  44 o 48.521  2.3430  331.604   29.479    352.359   47.892    318.944   37.405    49.433  3.6427  47.609  2.9478  1.824100       4.685999 
1 1 1 -6  -7  45 o 40.569  2.5230  236.380   26.181    249.902   43.395    228.641   32.828    41.078  3.9945  40.059  3.0833  1.019962       5.046066 
1 1 1 -6  -7  46 o 13.023  3.1411  6.7362    14.320    56.995    27.244    -12.4496  16.833    18.613  5.2417  7.4322  3.4628  11.18078       6.282233 
1 1 1 -6  -7  47 f 15.618  3.8892  34.940    20.187    61.266    33.511    19.947    25.290    18.622  5.9497  12.614  5.0104  6.007708       7.778352 
1 1 1 -6  -7  48 o 16.099  3.8182  39.134    17.725    64.115    34.278    30.016    20.709    18.524  6.0269  13.673  4.6893  4.851163       7.636321 
1 1 1 -6  -6  1  o 293.590 5.4721  11564.33  430.305   11493.63  608.744   11634.92  608.343   292.692 7.7649  294.489 7.7124  -1.797058      10.94418 
1 1 1 -6  -6  2  o 807.835 14.841  88559.47  3210.90   86849.14  4539.51   90271.89  4542.29   799.929 21.187  815.741 20.789  -15.81189      29.68283 
1 1 1 -6  -6  3  o 404.681 7.4614  22005.96  808.760   21936.56  1143.38   22075.46  1144.14   404.041 10.565  405.321 10.539  -1.280518      14.92274 
1 1 1 -6  -6  4  o 86.176  1.9909  994.747   45.953    985.996   64.699    1003.66   65.281    85.794  2.8155  86.559  2.8157  -0.7649612     3.981839 
1 1 1 -6  -6  5  o 159.758 3.1606  3420.22   135.228   3355.48   190.898   3485.43   191.588   158.240 4.5040  161.276 4.4352  -3.036346      6.321117 
1 1 1 -6  -6  6  o 381.508 6.9875  19551.35  713.921   19155.11  1009.18   19948.32  1010.10   377.627 9.9773  385.389 9.7853  -7.761383      13.97498 
1 1 1 -6  -6  7  o 354.978 9.3289  16965.58  886.873   16685.85  1256.20   17243.56  1252.27   352.043 13.322  357.914 13.063  -5.871399      18.65771 
1 1 1 -6  -6  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -6  9  o 356.571 9.3687  17115.19  894.756   17255.51  1265.43   16974.90  1265.32   358.040 13.195  355.102 13.303  2.937927       18.73745 
1 1 1 -6  -6  10 o 407.215 7.5360  22281.17  821.960   22195.57  1163.34   22366.51  1161.51   406.431 10.686  408.000 10.629  -1.569397      15.07204 
1 1 1 -6  -6  11 o 256.282 4.8474  8807.98   332.746   8831.79   471.357   8784.33   469.796   256.628 6.8574  255.937 6.8531  0.6902313      9.694760 
1 1 1 -6  -6  12 o 229.344 4.3938  7052.28   269.895   6980.84   381.962   7123.51   381.417   228.183 6.2495  230.506 6.1777  -2.322906      8.787564 
1 1 1 -6  -6  13 o 854.710 15.826  99285.97  3621.58   95878.05  5119.14   102700.70 5124.26   839.815 22.757  869.605 22.000  -29.78955      31.65274 
1 1 1 -6  -6  14 o 374.338 6.9451  18822.07  696.333   18648.58  984.388   18995.83  985.139   372.607 9.8634  376.070 9.7800  -3.462494      13.89012 
1 1 1 -6  -6  15 o 714.244 13.146  69100.31  2514.87   68341.20  3555.50   69860.34  3557.61   710.276 18.689  718.212 18.493  -7.935974      26.29228 
1 1 1 -6  -6  16 o 310.789 5.7944  12968.41  482.310   12756.54  681.325   13181.23  682.855   308.239 8.2523  313.339 8.1363  -5.099945      11.58878 
1 1 1 -6  -6  17 o 84.431  2.1445  955.292   48.486    967.328   68.101    942.918   69.049    84.971  2.9922  83.891  3.0729  1.079834       4.289071 
1 1 1 -6  -6  18 o 312.411 5.8827  13123.20  492.168   12817.28  695.092   13430.78  696.971   308.747 8.4053  316.075 8.2326  -7.328308      11.76535 
1 1 1 -6  -6  19 f 326.358 6.1275  14345.83  535.404   13841.11  756.116   14853.38  758.238   320.570 8.8060  332.145 8.5229  -11.57510      12.25499 
1 1 1 -6  -6  20 o 210.107 4.1054  5931.27   231.027   5978.04   326.119   5884.16   327.328   210.943 5.7720  209.272 5.8396  1.670670       8.210752 
1 1 1 -6  -6  21 o 286.124 5.4239  11039.96  415.637   10840.60  586.918   11240.53  588.685   283.517 7.7287  288.730 7.6121  -5.212433      10.84790 
1 1 1 -6  -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -6  23 o 217.477 4.2625  6370.04   248.288   6312.97   350.300   6427.65   351.972   216.496 6.0409  218.459 6.0152  -1.962784      8.524955 
1 1 1 -6  -6  24 o 145.688 3.0659  2853.87   119.546   2761.75   170.407   2943.14   167.751   143.360 4.4378  148.016 4.2313  -4.655701      6.131709 
1 1 1 -6  -6  25 o 21.210  2.3677  64.640    12.473    45.983    18.602    79.878    16.812    18.155  3.9386  24.265  2.6287  -6.109957      4.735315 
1 1 1 -6  -6  26 f 206.901 4.0727  5769.34   225.668   5908.69   321.169   5633.44   317.155   209.376 5.7269  204.426 5.7922  4.949982       8.145356 
1 1 1 -6  -6  27 o 55.248  2.0513  411.479   30.128    394.971   44.390    425.578   41.024    54.168  3.0722  56.329  2.7190  -2.161335      4.102606 
1 1 1 -6  -6  28 o 303.646 5.7988  12533.31  471.604   12484.53  669.189   12581.45  664.731   303.034 8.2446  304.257 8.1567  -1.222107      11.59764 
1 1 1 -6  -6  29 o 121.770 2.7356  1993.40   89.166    1994.43   128.439   1992.44   123.883   121.792 3.9372  121.748 3.7989  0.4416656E-01  5.471153 
1 1 1 -6  -6  30 o 104.891 2.5191  1479.87   70.680    1467.51   102.387   1491.13   97.691    104.461 3.6593  105.321 3.4630  -0.8603668     5.038136 
1 1 1 -6  -6  31 o 146.345 3.1389  2892.98   122.920   2826.76   176.473   2955.38   171.311   144.688 4.5536  148.003 4.3214  -3.315125      6.277742 
1 1 1 -6  -6  32 o 85.965  2.3065  992.353   53.009    1037.09   77.928    953.828   72.319    87.756  3.3153  84.175  3.2076  3.581406       4.613064 
1 1 1 -6  -6  33 o 39.434  2.1096  215.125   21.535    185.862   32.937    236.973   28.460    36.969  3.3631  41.900  2.5480  -4.931515      4.219293 
1 1 1 -6  -6  34 o 69.221  2.1238  643.109   39.221    684.362   58.710    609.859   52.707    71.202  3.0784  67.240  2.9265  3.961723       4.247513 
1 1 1 -6  -6  35 o 80.990  2.2772  887.995   49.201    890.272   72.943    886.095   66.645    81.046  3.3602  80.934  3.0743  0.1118011      4.554369 
1 1 1 -6  -6  36 o 100.083 2.5313  1364.10   67.649    1361.71   99.556    1366.15   92.206    99.936  3.7192  100.230 3.4346  -0.2937241     5.062510 
1 1 1 -6  -6  37 o 9.2291  2.2663  -14.5374  8.8932    28.902    16.063    -33.7393  10.679    14.312  4.0228  4.1461  2.0883  10.16612       4.532536 
1 1 1 -6  -6  38 o 33.493  2.3575  158.121   20.055    139.454   31.792    170.458   25.846    31.649  3.8282  35.337  2.7524  -3.688309      4.714947 
1 1 1 -6  -6  39 o 32.833  2.3632  149.198   19.905    148.947   32.060    149.356   25.392    32.682  3.7292  32.983  2.9038  -0.3009071     4.726404 
1 1 1 -6  -6  40 o 18.546  3.1763  51.464    17.877    12.085    26.254    85.504    24.410    12.541  5.0625  24.552  3.8374  -12.01132      6.352565 
1 1 1 -6  -6  41 o 31.768  2.5530  144.176   20.360    134.527   33.312    149.930   25.724    30.642  4.1668  32.894  2.9510  -2.252115      5.105979 
1 1 1 -6  -6  42 o 44.943  2.2919  269.172   26.724    353.506   43.955    219.714   33.661    50.261  3.2830  39.625  3.1987  10.63593       4.583703 
1 1 1 -6  -6  43 o 58.161  2.3829  477.582   36.150    481.609   57.355    474.928   46.563    58.042  3.7087  58.280  2.9930  -0.2380600     4.765716 
1 1 1 -6  -6  44 o 44.460  2.4105  275.651   27.628    313.881   46.008    254.091   34.551    46.544  3.7216  42.376  3.0647  4.168701       4.821069 
1 1 1 -6  -6  45 o 14.371  3.5021  26.452    15.417    46.938    28.329    17.831    18.377    17.007  5.4742  11.736  4.3695  5.270688       7.004200 
1 1 1 -6  -6  46 o 40.694  2.6536  241.906   27.150    252.313   46.300    236.452   33.517    40.774  4.3046  40.615  3.1045  0.1590042      5.307252 
1 1 1 -6  -6  47 o 15.034  3.2811  13.352    15.983    82.333    31.775    -10.0121  18.493    22.045  5.4194  8.0228  3.7001  14.02239       6.562115 
1 1 1 -6  -6  48 o 12.746  3.5402  13.759    16.382    47.715    32.018    1.7170    19.067    16.243  5.8102  9.2487  4.0464  6.994300       7.080413 
1 1 1 -6  -5  1  o 132.211 2.7449  2342.31   97.190    2297.80   137.528   2386.71   137.366   130.955 3.9208  133.466 3.8426  -2.510834      5.489834 
1 1 1 -6  -5  2  o 164.247 3.2408  3615.80   142.545   3697.07   201.451   3534.30   201.727   166.097 4.5281  162.396 4.6377  3.700211       6.481652 
1 1 1 -6  -5  3  o 383.065 7.0549  19714.67  723.752   19322.12  1022.92   20108.18  1024.16   379.235 10.070  386.895 9.8829  -7.659698      14.10972 
1 1 1 -6  -5  4  o 312.037 5.8209  13068.27  486.448   12828.79  687.414   13308.49  688.469   309.168 8.3011  314.906 8.1623  -5.738556      11.64181 
1 1 1 -6  -5  5  o 341.818 6.3296  15687.06  579.487   15525.54  819.205   15848.83  819.834   340.052 8.9941  343.583 8.9085  -3.530334      12.65920 
1 1 1 -6  -5  6  f 52.580  1.5793  370.673   22.214    350.205   31.482    390.971   31.350    51.132  2.2986  54.027  2.1664  -2.894638      3.158648 
1 1 1 -6  -5  7  o 127.562 2.6200  2179.98   89.504    2232.51   127.170   2128.42   125.995   129.085 3.6781  126.039 3.7322  3.045959       5.239945 
1 1 1 -6  -5  8  o 209.936 4.0087  5908.64   225.397   5854.99   319.603   5961.73   317.924   208.986 5.7096  210.885 5.6284  -1.899292      8.017387 
1 1 1 -6  -5  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -5  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -5  11 o 208.159 4.0305  5809.28   224.673   5668.77   317.730   5949.81   317.740   205.639 5.7685  210.679 5.6307  -5.040619      8.061050 
1 1 1 -6  -5  12 o 193.504 3.7904  5019.98   196.364   4835.07   277.337   5205.85   278.067   189.927 5.4517  197.081 5.2676  -7.153397      7.580824 
1 1 1 -6  -5  13 o 520.702 9.5835  36503.87  1336.52   36950.71  1890.05   36056.96  1890.20   523.906 13.469  517.498 13.637  6.408386       19.16690 
1 1 1 -6  -5  14 o 156.910 3.1787  3299.40   133.592   3313.76   188.425   3284.88   189.434   157.254 4.4735  156.567 4.5172  0.6876831      6.357473 
1 1 1 -6  -5  15 o 251.755 4.7943  8500.90   323.277   8571.91   456.670   8429.57   457.697   252.811 6.7440  250.700 6.8161  2.111588       9.588562 
1 1 1 -6  -5  16 f 76.248  2.0715  780.123   42.231    825.057   59.327    733.969   60.127    78.479  2.8224  74.018  3.0328  4.460358       4.142910 
1 1 1 -6  -5  17 o 110.173 2.4997  1626.62   73.756    1643.74   103.856   1609.20   104.763   110.758 3.5008  109.587 3.5691  1.171219       4.999421 
1 1 1 -6  -5  18 o 119.950 2.6526  1928.47   85.219    1940.40   120.018   1916.34   121.024   120.325 3.7239  119.576 3.7787  0.7495728      5.305293 
1 1 1 -6  -5  19 o 267.969 5.1031  9651.72   366.274   9593.28   517.340   9710.45   518.641   267.154 7.2298  268.784 7.2040  -1.630035      10.20624 
1 1 1 -6  -5  20 o 185.128 3.6987  4601.29   183.389   4523.19   258.639   4680.27   260.069   183.545 5.2609  186.710 5.2003  -3.165176      7.397362 
1 1 1 -6  -5  21 o 123.988 2.7355  2062.27   90.844    2051.00   127.857   2073.76   129.097   123.646 3.8606  124.330 3.8766  -0.6832581     5.471044 
1 1 1 -6  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -5  23 o 53.523  1.8943  387.154   26.913    351.665   39.096    419.118   37.103    51.130  2.8663  55.915  2.4774  -4.785149      3.788545 
1 1 1 -6  -5  24 o 94.555  2.2824  1198.31   57.482    1377.55   83.082    1033.73   79.612    101.339 3.0609  87.770  3.3864  13.56829       4.564744 
1 1 1 -6  -5  25 f 134.141 2.9064  2420.92   104.269   2309.56   149.077   2527.57   145.893   131.103 4.2453  137.180 3.9706  -6.076706      5.812763 
1 1 1 -6  -5  26 o 104.771 2.4823  1472.41   69.627    1512.78   100.364   1434.95   96.675    106.153 3.5299  103.389 3.4910  2.764046       4.964576 
1 1 1 -6  -5  27 o 110.806 2.5897  1649.56   76.787    1630.55   110.674   1667.20   106.626   110.183 3.7501  111.429 3.5725  -1.246475      5.179383 
1 1 1 -6  -5  28 o 183.580 3.7048  4540.56   182.150   4577.56   259.951   4504.87   255.310   184.309 5.2657  182.851 5.2129  1.457825       7.409602 
1 1 1 -6  -5  29 o 59.607  2.0231  472.217   31.834    587.382   47.596    378.995   42.822    66.165  2.6857  53.048  3.0263  13.11633       4.046118 
1 1 1 -6  -5  30 o 107.718 2.5448  1560.10   73.337    1565.30   106.396   1555.41   101.225   107.878 3.6821  107.558 3.5137  0.3208160      5.089592 
1 1 1 -6  -5  31 o 92.329  3.5164  1158.26   86.477    1095.50   124.994   1215.89   119.768   89.801  5.2191  94.856  4.7139  -5.055428      7.032815 
1 1 1 -6  -5  32 o 71.019  2.2004  683.144   41.526    637.167   61.435    721.819   56.347    68.778  3.3349  73.259  2.8716  -4.480568      4.400826 
1 1 1 -6  -5  33 o 101.856 2.5263  1403.46   68.720    1369.48   100.406   1433.40   94.255    100.657 3.7241  103.055 3.4147  -2.397743      5.052638 
1 1 1 -6  -5  34 o 32.180  2.1575  134.782   17.697    195.768   28.232    95.309    22.713    38.004  2.7930  26.355  3.2891  11.64915       4.315009 
1 1 1 -6  -5  35 o 43.621  2.0643  258.409   23.664    257.838   36.488    258.823   31.089    43.531  3.1507  43.711  2.6681  -0.1802406     4.128613 
1 1 1 -6  -5  36 o 36.363  2.1321  181.040   20.160    177.167   31.621    183.693   26.168    35.962  3.3204  36.765  2.6756  -0.8038216     4.264257 
1 1 1 -6  -5  37 o 39.495  2.1516  211.477   22.207    221.890   35.067    204.505   28.693    40.242  3.2819  38.748  2.7832  1.493477       4.303134 
1 1 1 -6  -5  38 o 31.270  2.3049  130.945   18.610    153.522   30.372    117.373   23.548    33.333  3.4518  29.207  3.0553  4.125765       4.609742 
1 1 1 -6  -5  39 o 17.078  3.1539  39.063    14.280    56.452    24.038    29.578    17.752    19.708  4.6319  14.448  4.2818  5.260297       6.307814 
1 1 1 -6  -5  40 o 19.498  3.0236  50.666    14.951    75.705    25.580    37.675    18.425    22.889  4.3310  16.106  4.2202  6.782709       6.047150 
1 1 1 -6  -5  41 o 65.294  2.3522  591.912   40.404    592.946   62.821    591.182   52.765    65.094  3.6173  65.493  3.0078  -0.3990097     4.704489 
1 1 1 -6  -5  42 o 47.172  2.3249  304.120   28.543    349.487   46.553    276.793   36.131    49.782  3.5139  44.563  3.0453  5.219101       4.649883 
1 1 1 -6  -5  43 o 9.0280  2.7827  -12.2355  11.911    16.244    22.846    -22.8656  13.958    12.234  4.7926  5.8220  2.8293  6.412076       5.565411 
1 1 1 -6  -5  44 o 26.392  3.3327  119.607   20.479    72.794    34.952    144.081   25.272    20.902  5.9549  31.883  2.9944  -10.98122      6.665354 
1 1 1 -6  -5  45 o 22.747  3.4211  88.377    19.134    62.258    33.796    100.698   23.212    19.166  5.9553  26.328  3.3688  -7.161922      6.842166 
1 1 1 -6  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -5  47 o 19.219  3.7741  63.271    19.237    60.525    35.862    64.380    22.794    18.262  6.1715  20.177  4.3460  -1.915194      7.548161 
1 1 1 -6  -5  48 o 19.734  3.6901  74.817    20.167    49.424    37.975    84.792    23.801    16.213  6.2258  23.255  3.9632  -7.041578      7.380219 
1 1 1 -6  -4  1  o 547.354 10.050  40390.83  1472.99   41606.82  2084.11   39177.15  2082.12   555.638 14.004  539.069 14.420  16.56915       20.10086 
1 1 1 -6  -4  2  o 317.359 5.8792  13518.38  499.749   13452.03  706.372   13584.87  707.133   316.578 8.3304  318.140 8.2984  -1.562073      11.75833 
1 1 1 -6  -4  3  o 89.028  2.0172  1061.69   48.099    1049.52   67.730    1074.07   68.319    88.513  2.8568  89.543  2.8486  -1.029053      4.034322 
1 1 1 -6  -4  4  o 323.208 5.9973  14025.91  519.000   14470.15  734.088   13581.94  733.866   328.338 8.3471  318.079 8.6138  10.25964       11.99466 
1 1 1 -6  -4  5  o 354.396 6.5750  16868.33  624.042   16550.01  882.344   17186.91  882.713   351.041 9.3841  357.750 9.2119  -6.709198      13.14992 
1 1 1 -6  -4  6  o 114.392 2.4243  1753.52   74.263    1724.78   105.565   1781.67   104.491   113.463 3.4736  115.320 3.3829  -1.857193      4.848656 
1 1 1 -6  -4  7  o 86.258  2.0477  997.266   47.282    976.586   67.616    1017.05   66.141    85.382  2.9566  87.134  2.8340  -1.752052      4.095491 
1 1 1 -6  -4  8  o 174.950 3.4435  4101.97   161.359   4129.29   228.955   4075.01   227.445   175.529 4.8698  174.371 4.8698  1.157532       6.886962 
1 1 1 -6  -4  9  o 473.643 8.7322  30185.36  1107.78   30427.83  1567.09   29943.18  1566.19   475.552 12.303  471.733 12.395  3.818970       17.46440 
1 1 1 -6  -4  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -4  11 o 139.476 4.1303  2610.61   153.958   2825.35   218.577   2399.18   216.891   145.179 5.6210  133.773 6.0532  11.40657       8.260543 
1 1 1 -6  -4  12 o 401.152 7.4318  21621.71  798.435   21210.38  1128.33   22034.24  1129.98   397.319 10.603  404.985 10.417  -7.665649      14.86364 
1 1 1 -6  -4  13 o 53.525  1.7966  383.760   25.756    383.962   36.216    383.553   36.635    53.540  2.5255  53.511  2.5560  0.2867126E-01  3.593223 
1 1 1 -6  -4  14 o 213.115 4.1377  6088.80   236.169   5988.10   333.481   6190.12   334.508   211.346 5.8910  214.885 5.8118  -3.538559      8.275324 
1 1 1 -6  -4  15 o 305.813 5.7415  12550.60  470.277   12412.10  664.528   12689.54  665.618   304.120 8.1579  307.506 8.0813  -3.386108      11.48301 
1 1 1 -6  -4  16 o 255.120 4.8605  8731.19   332.092   8560.71   469.000   8902.61   470.301   252.619 6.9314  257.621 6.8156  -5.002304      9.720932 
1 1 1 -6  -4  17 o 156.399 3.2103  3278.52   134.483   3263.43   189.645   3293.80   190.736   156.036 4.5376  156.761 4.5426  -0.7242584     6.420685 
1 1 1 -6  -4  18 o 279.309 5.2933  10478.75  395.947   10250.19  559.152   10708.63  560.760   276.246 7.5569  282.372 7.4142  -6.125519      10.58668 
1 1 1 -6  -4  19 o 132.383 2.8606  2355.42   101.145   2168.08   143.853   2538.58   142.243   127.158 4.2236  137.608 3.8592  -10.45067      5.721235 
1 1 1 -6  -4  20 o 158.813 3.2571  3385.33   138.508   3321.15   197.030   3448.04   194.751   157.320 4.6758  160.307 4.5356  -2.986664      6.514240 
1 1 1 -6  -4  21 o 184.781 3.6330  4588.82   179.462   4957.62   255.526   4229.84   252.104   192.129 4.9654  177.432 5.3047  14.69698       7.265992 
1 1 1 -6  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -4  23 o 108.423 2.4826  1576.69   72.077    1605.13   103.474   1549.88   100.457   109.371 3.5321  107.475 3.4897  1.896294       4.965253 
1 1 1 -6  -4  24 o 131.871 2.8688  2337.82   101.230   2259.72   144.749   2412.59   141.624   129.703 4.1665  134.039 3.9447  -4.336197      5.737658 
1 1 1 -6  -4  25 o 139.317 2.9327  2606.11   109.280   2802.55   156.613   2419.70   152.558   144.441 4.0481  134.193 4.2444  10.24806       5.865319 
1 1 1 -6  -4  26 o 174.516 3.5350  4098.14   165.222   4131.17   235.743   4066.25   231.630   175.203 5.0235  173.829 4.9749  1.373962       7.070027 
1 1 1 -6  -4  27 o 103.982 2.4673  1448.38   68.565    1591.94   99.339    1317.77   94.755    108.898 3.4057  99.066  3.5710  9.831818       4.934687 
1 1 1 -6  -4  28 o 86.207  2.3985  1013.94   54.432    824.959   78.715    1187.12   75.352    78.361  3.7503  94.054  2.9911  -15.69380      4.797020 
1 1 1 -6  -4  29 o 76.056  2.2011  779.723   44.612    740.252   65.459    813.957   60.963    74.240  3.2919  77.872  2.9228  -3.631828      4.402157 
1 1 1 -6  -4  30 o 84.450  2.2436  953.996   50.634    1038.72   74.447    881.068   69.069    87.924  3.1612  80.975  3.1845  6.948792       4.487119 
1 1 1 -6  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -4  32 o 100.422 2.5306  1363.78   67.801    1308.01   99.152    1412.77   92.920    98.453  3.7600  102.392 3.3881  -3.939476      5.061284 
1 1 1 -6  -4  33 o 98.608  2.5179  1318.54   66.184    1254.90   97.031    1373.91   90.505    96.325  3.7608  100.892 3.3491  -4.566582      5.035891 
1 1 1 -6  -4  34 o 34.975  2.0842  161.389   19.016    207.333   29.772    129.731   24.714    39.099  2.8628  30.851  3.0299  8.248024       4.168401 
1 1 1 -6  -4  35 o 13.495  2.8430  25.871    11.447    14.414    18.617    32.834    14.514    11.744  4.3929  15.245  3.6102  -3.500964      5.686044 
1 1 1 -6  -4  36 o 37.810  2.1890  197.599   21.422    183.268   33.485    207.529   27.872    36.537  3.4630  39.084  2.6786  -2.546520      4.378051 
1 1 1 -6  -4  37 o 33.693  2.3012  157.180   19.827    150.792   31.951    161.180   25.284    33.012  3.6759  34.375  2.7696  -1.363712      4.602495 
1 1 1 -6  -4  38 o 17.505  3.0237  41.618    13.595    54.117    23.138    35.028    16.801    19.365  4.5398  15.646  3.9950  3.718213       6.047349 
1 1 1 -6  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -4  40 o 62.058  2.2770  526.820   37.283    557.558   58.162    505.379   48.576    63.422  3.4366  60.693  2.9881  2.729424       4.554051 
1 1 1 -6  -4  41 o 17.536  3.2467  47.080    15.151    38.078    26.087    51.662    18.612    16.187  5.2574  18.885  3.8110  -2.697367      6.493348 
1 1 1 -6  -4  42 o 41.267  2.3730  224.749   25.145    312.939   42.340    176.699   31.253    47.145  3.3753  35.388  3.3365  11.75674       4.746046 
1 1 1 -6  -4  43 o 30.578  2.7593  134.949   20.937    140.699   35.797    131.959   25.813    30.683  4.4884  30.474  3.2108  0.2093678      5.518635 
1 1 1 -6  -4  44 o 12.659  3.3087  13.062    14.440    41.369    26.900    1.6038    17.115    16.227  5.3420  9.0899  3.9056  7.137469       6.617449 
1 1 1 -6  -4  45 o 22.860  3.1863  71.793    18.097    119.517   32.092    49.541    21.914    27.960  4.4332  17.760  4.5778  10.20019       6.372511 
1 1 1 -6  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -4  47 f 24.342  3.5832  106.045   20.934    78.155    38.116    118.092   25.051    20.439  6.3202  28.245  3.3784  -7.805883      7.166454 
1 1 1 -6  -4  48 o 9.6966  2.9267  0.5639    15.664    -54.5174  31.563    18.562    18.042    7.9986  3.9592  11.395  4.3113  -3.395989      5.853420 
1 1 1 -6  -3  1  o 358.086 6.5982  17224.32  632.768   16883.67  894.473   17565.57  895.266   354.532 9.4194  361.641 9.2424  -7.108734      13.19648 
1 1 1 -6  -3  2  o 82.084  1.9254  902.482   42.329    889.901   59.533    915.345   60.196    81.505  2.7270  82.662  2.7188  -1.157021      3.850713 
1 1 1 -6  -3  3  o 119.822 2.4723  1923.57   79.346    1921.59   111.951   1925.56   112.475   119.760 3.4900  119.883 3.5027  -0.1236191     4.944645 
1 1 1 -6  -3  4  o 427.724 7.8703  24607.81  901.386   23893.12  1274.25   25323.63  1275.25   421.481 11.287  433.966 10.971  -12.48505      15.74062 
1 1 1 -6  -3  5  o 117.369 2.4743  1846.84   77.732    1783.20   110.520   1909.13   109.348   115.366 3.5766  119.372 3.4199  -4.006065      4.948556 
1 1 1 -6  -3  6  o 101.379 2.2709  1378.29   61.602    1324.33   87.858    1430.47   86.397    99.424  3.2991  103.334 3.1215  -3.909584      4.541849 
1 1 1 -6  -3  7  f 409.534 7.5944  22545.96  832.985   22230.85  1178.23   22860.84  1177.81   406.662 10.817  412.406 10.663  -5.743744      15.18873 
1 1 1 -6  -3  8  o 156.972 3.1540  3302.03   132.609   3313.94   187.466   3290.11   187.608   157.255 4.4507  156.689 4.4702  0.5666351      6.308022 
1 1 1 -6  -3  9  o 292.733 5.4746  11497.94  429.235   11372.41  606.588   11623.84  607.473   291.130 7.7789  294.336 7.7054  -3.205780      10.94914 
1 1 1 -6  -3  10 o 286.533 5.3869  11014.90  413.429   11039.66  584.295   10990.07  585.058   286.857 7.6046  286.210 7.6318  0.6468811      10.77379 
1 1 1 -6  -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -3  12 o 646.982 11.903  56532.07  2062.03   54916.22  2914.57   58151.43  2917.73   637.651 17.065  656.314 16.598  -18.66321      23.80522 
1 1 1 -6  -3  13 o 134.492 2.8434  2423.49   102.428   2404.10   144.454   2443.09   145.259   133.951 4.0262  135.033 4.0162  -1.081955      5.686834 
1 1 1 -6  -3  14 o 256.390 4.8826  8816.04   335.282   8680.03   473.579   8952.72   474.742   254.405 6.9499  258.375 6.8599  -3.969864      9.765215 
1 1 1 -6  -3  15 f 152.894 3.1569  3132.65   129.257   3052.37   182.251   3213.90   183.348   150.922 4.5085  154.866 4.4201  -3.943802      6.313755 
1 1 1 -6  -3  16 o 259.666 4.9589  9051.75   344.559   8601.59   487.788   9500.05   486.774   253.207 7.1923  266.126 6.8289  -12.91896      9.917809 
1 1 1 -6  -3  17 o 182.428 3.6579  4471.44   178.232   4099.35   252.732   4839.59   251.390   174.853 5.3963  190.003 4.9397  -15.15031      7.315793 
1 1 1 -6  -3  18 o 241.924 4.6326  7856.81   300.142   7730.06   425.499   7982.34   423.438   239.976 6.6198  243.872 6.4824  -3.895950      9.265152 
1 1 1 -6  -3  19 o 119.389 2.6093  1910.80   83.223    2099.07   119.109   1731.20   116.329   125.139 3.5535  113.638 3.8219  11.50114       5.218650 
1 1 1 -6  -3  20 o 384.566 7.2359  19999.77  745.245   19668.86  1055.07   20329.25  1052.80   381.357 10.329  387.776 10.136  -6.419250      14.47181 
1 1 1 -6  -3  21 o 255.950 4.8653  8821.48   333.518   8970.47   473.296   8674.52   470.052   258.104 6.8462  253.797 6.9147  4.307144       9.730527 
1 1 1 -6  -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -3  23 o 128.395 2.7729  2211.68   95.294    2329.79   136.511   2099.42   133.087   131.740 3.8687  125.049 3.9734  6.690788       5.545702 
1 1 1 -6  -3  24 o 202.694 3.9559  5531.40   214.662   5776.60   305.685   5292.84   301.514   207.142 5.5096  198.246 5.6782  8.895279       7.911878 
1 1 1 -6  -3  25 o 106.935 2.5180  1537.02   72.016    1487.69   103.611   1583.14   100.169   105.264 3.6748  108.605 3.4434  -3.340973      5.036023 
1 1 1 -6  -3  26 o 227.994 4.4425  7014.36   271.273   7121.46   386.046   6909.89   381.275   229.716 6.2742  226.273 6.2910  3.442612       8.884920 
1 1 1 -6  -3  27 o 149.165 3.1678  2992.63   126.514   2976.99   181.298   3007.47   176.629   148.776 4.5496  149.555 4.4093  -0.7791443     6.335678 
1 1 1 -6  -3  28 o 40.916  2.3165  242.152   23.044    144.322   33.923    325.971   31.400    32.529  3.9763  49.303  2.3777  -16.77488      4.632987 
1 1 1 -6  -3  29 o 189.699 3.7723  4854.45   191.599   5047.08   274.102   4670.41   267.927   193.388 5.2917  186.009 5.3777  7.379547       7.544595 
1 1 1 -6  -3  30 o 64.607  2.2515  575.821   37.872    461.120   55.989    672.569   51.421    58.439  3.5944  70.776  2.7125  -12.33738      4.502997 
1 1 1 -6  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -3  32 o 131.606 2.9181  2338.04   102.777   2452.34   149.021   2234.35   141.934   134.666 4.1314  128.545 4.1223  6.121628       5.836285 
1 1 1 -6  -3  33 o 80.786  2.2475  877.052   48.478    923.465   72.084    838.724   65.505    82.715  3.2536  78.857  3.1013  3.858437       4.494903 
1 1 1 -6  -3  34 o 19.553  2.7400  55.676    13.407    45.434    21.698    62.001    17.052    17.902  4.5234  21.203  3.0935  -3.301247      5.480056 
1 1 1 -6  -3  35 o 40.525  2.0752  220.302   22.140    243.783   34.441    203.766   28.902    42.323  3.0588  38.726  2.8054  3.596523       4.150429 
1 1 1 -6  -3  36 o 60.806  2.2297  509.250   35.579    462.777   54.080    544.714   47.243    58.184  3.4862  63.428  2.7808  -5.243732      4.459378 
1 1 1 -6  -3  37 o 49.325  2.2407  337.124   28.652    309.963   44.935    355.734   37.195    47.492  3.5583  51.157  2.7243  -3.665405      4.481397 
1 1 1 -6  -3  38 o 34.267  2.3506  161.877   20.716    162.650   33.351    161.391   26.434    34.215  3.6979  34.318  2.9030  -0.1030846     4.701262 
1 1 1 -6  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -3  40 o 16.566  3.2641  40.673    14.612    36.204    25.415    42.879    17.859    15.943  5.1897  17.190  3.9603  -1.246704      6.528185 
1 1 1 -6  -3  41 o 27.809  2.9118  113.558   19.760    104.968   33.333    118.212   24.535    26.587  4.8598  29.031  3.2090  -2.443098      5.823642 
1 1 1 -6  -3  42 o 23.981  3.1360  87.068    18.191    80.432    31.599    90.357    22.247    22.793  5.2795  25.169  3.3859  -2.375662      6.271997 
1 1 1 -6  -3  43 o 14.090  3.0431  30.950    14.762    -3.2567   26.603    46.170    17.745    10.580  4.6977  17.600  3.8695  -7.020502      6.086193 
1 1 1 -6  -3  44 o 25.742  3.1194  101.686   19.201    97.179    33.858    103.823   23.312    24.658  5.2852  26.826  3.3150  -2.167675      6.238816 
1 1 1 -6  -3  45 o 44.863  2.5503  281.172   29.299    341.293   49.988    249.710   36.162    48.052  3.9179  41.673  3.2658  6.379185       5.100574 
1 1 1 -6  -3  46 o 24.003  3.4814  90.964    20.188    97.364    36.589    88.163    24.206    23.838  5.7884  24.169  3.8698  -0.3309669     6.962848 
1 1 1 -6  -3  47 o 16.498  3.7046  47.834    18.070    38.181    34.815    51.394    21.140    15.197  5.9264  17.800  4.4469  -2.603008      7.409273 
1 1 1 -6  -2  1  o 288.652 5.3468  11181.30  413.383   11129.52  584.271   11233.20  584.952   287.982 7.5746  289.323 7.5483  -1.340363      10.69352 
1 1 1 -6  -2  2  o 120.606 2.4966  1948.92   80.649    1950.88   113.688   1946.94   114.425   120.667 3.5175  120.545 3.5439  0.1223679      4.993217 
1 1 1 -6  -2  3  o 218.785 4.1346  6418.54   242.280   6499.79   342.703   6337.35   342.569   220.171 5.8112  217.399 5.8830  2.771835       8.269259 
1 1 1 -6  -2  4  o 337.722 6.2579  15316.82  566.080   15306.64  801.390   15326.96  799.729   337.609 8.8622  337.836 8.8379  -0.2265320     12.51585 
1 1 1 -6  -2  5  o 27.521  1.4673  102.366   10.697    96.044    15.449    108.188   14.826    26.689  2.1801  28.353  1.9643  -1.664019      2.934547 
1 1 1 -6  -2  6  o 256.522 4.8600  8826.71   333.922   8773.38   472.262   8880.03   472.212   255.745 6.8942  257.298 6.8519  -1.552185      9.720035 
1 1 1 -6  -2  7  o 398.543 7.3532  21347.50  784.911   21096.66  1109.54   21598.77  1110.53   396.192 10.456  400.894 10.342  -4.702393      14.70642 
1 1 1 -6  -2  8  o 329.525 6.1415  14578.50  541.995   14302.78  765.975   14854.98  767.019   326.397 8.7615  332.652 8.6085  -6.255188      12.28291 
1 1 1 -6  -2  9  o 502.751 9.2694  34034.22  1248.19   33723.93  1764.71   34344.86  1765.69   500.446 13.165  505.056 13.052  -4.609558      18.53872 
1 1 1 -6  -2  10 o 235.176 4.4934  7416.45   283.040   7471.87   400.010   7360.89   400.547   236.057 6.3265  234.295 6.3827  1.762161       8.986828 
1 1 1 -6  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -2  12 o 727.261 13.391  71578.26  2608.45   71688.18  3688.55   71468.30  3689.26   727.826 18.921  726.696 18.954  1.130310       26.78141 
1 1 1 -6  -2  13 o 284.429 5.3178  10859.35  404.596   11533.72  573.468   10190.98  570.911   293.240 7.3012  275.617 7.7335  17.62308       10.63552 
1 1 1 -6  -2  14 o 368.266 6.8263  18212.06  673.345   18264.77  953.195   18159.55  951.315   368.798 9.6495  367.733 9.6583  1.064789       13.65269 
1 1 1 -6  -2  15 o 361.756 6.7425  17576.12  653.306   17461.07  924.851   17690.71  922.980   360.570 9.5762  362.942 9.4944  -2.372009      13.48503 
1 1 1 -6  -2  16 o 245.467 4.7093  8082.42   309.603   8004.36   438.836   8159.77   436.861   244.284 6.7068  246.650 6.6126  -2.365417      9.418521 
1 1 1 -6  -2  17 o 194.635 3.8015  5081.21   197.950   5399.03   281.355   4769.69   278.554   200.670 5.2346  188.601 5.5141  12.06961       7.603059 
1 1 1 -6  -2  18 o 331.900 6.2370  14816.28  554.393   14574.07  785.043   15057.24  783.022   329.181 8.9037  334.619 8.7364  -5.438721      12.47401 
1 1 1 -6  -2  19 o 60.790  1.9239  497.436   31.183    455.755   44.910    536.237   43.331    58.319  2.8751  63.262  2.5572  -4.943951      3.847743 
1 1 1 -6  -2  20 o 197.904 3.9132  5261.62   207.396   5192.31   294.647   5329.69   291.977   196.605 5.5952  199.202 5.4722  -2.596909      7.826365 
1 1 1 -6  -2  21 o 349.205 6.5903  16515.79  615.697   15626.14  871.569   17402.02  869.887   339.708 9.5787  358.702 9.0540  -18.99347      13.18054 
1 1 1 -6  -2  22 o 56.266  2.8494  443.964   40.792    318.329   59.972    552.131   55.648    48.455  4.6791  64.078  3.2530  -15.62297      5.698770 
1 1 1 -6  -2  23 o 85.876  2.2325  992.296   51.189    933.334   73.882    1046.73   70.989    83.408  3.3070  88.343  3.0001  -4.935379      4.465072 
1 1 1 -6  -2  24 o 35.780  2.0030  177.671   18.445    137.327   27.126    212.366   25.155    31.830  3.2262  39.731  2.3747  -7.900175      4.005910 
1 1 1 -6  -2  25 o 116.242 2.6402  1813.34   82.170    1847.46   118.288   1781.53   114.230   117.295 3.7650  115.188 3.7024  2.106834       5.280449 
1 1 1 -6  -2  26 o 135.221 2.9250  2455.23   105.900   2527.93   152.241   2387.07   147.406   137.158 4.1440  133.284 4.1290  3.874313       5.849931 
1 1 1 -6  -2  27 o 200.936 3.9716  5441.20   213.684   5638.87   305.081   5250.84   299.390   204.529 5.5689  197.344 5.6640  7.184723       7.943164 
1 1 1 -6  -2  28 o 43.439  2.0072  250.675   23.024    300.716   34.806    211.741   30.700    47.262  2.7614  39.616  2.9137  7.646690       4.014377 
1 1 1 -6  -2  29 o 46.586  2.0053  288.519   24.728    337.205   37.425    250.794   32.944    50.044  2.8033  43.128  2.8682  6.915340       4.010612 
1 1 1 -6  -2  30 o 230.345 4.4922  7210.12   277.120   7349.22   395.434   7075.88   388.472   232.529 6.3490  228.160 6.3567  4.369171       8.984302 
1 1 1 -6  -2  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -2  32 o 70.575  2.1528  664.572   40.503    743.460   60.882    601.935   54.250    74.295  3.0595  66.854  3.0296  7.440643       4.305663 
1 1 1 -6  -2  33 o 27.213  2.2819  97.753    15.916    131.438   25.146    75.240    20.557    31.065  3.0620  23.360  3.3840  7.704187       4.563707 
1 1 1 -6  -2  34 o 136.174 2.9886  2520.82   108.798   2746.65   158.518   2319.69   149.596   141.955 4.1691  130.393 4.2833  11.56229       5.977244 
1 1 1 -6  -2  35 o 20.322  2.6354  55.730    13.542    69.733    22.063    47.267    17.152    22.316  3.8290  18.329  3.6223  3.987827       5.270897 
1 1 1 -6  -2  36 o 34.757  2.2851  168.043   20.317    155.104   32.392    176.434   26.087    33.513  3.6685  36.000  2.7256  -2.486938      4.570200 
1 1 1 -6  -2  37 o 31.962  2.4711  145.404   19.744    125.393   31.860    157.881   25.158    29.923  4.0815  34.000  2.7871  -4.076382      4.942297 
1 1 1 -6  -2  38 o 40.120  2.3544  226.394   24.080    203.117   38.569    241.263   30.827    38.206  3.8201  42.034  2.7532  -3.827782      4.708898 
1 1 1 -6  -2  39 o 22.542  2.9025  65.570    16.258    107.843   28.116    44.335    19.928    27.617  3.9102  17.467  4.2905  10.14973       5.804985 
1 1 1 -6  -2  40 o 30.460  2.4820  123.593   19.247    159.200   32.611    104.559   23.843    33.615  3.6821  27.304  3.3292  6.311865       4.964001 
1 1 1 -6  -2  41 o 11.566  2.6517  12.874    13.118    -37.6152  23.610    35.422    15.778    7.5794  3.6826  15.552  3.8164  -7.972190      5.303385 
1 1 1 -6  -2  42 o 18.623  3.2729  53.304    15.782    49.729    26.880    55.185    19.496    17.899  5.2593  19.347  3.8970  -1.448587      6.545750 
1 1 1 -6  -2  43 o 23.384  3.1752  80.545    18.321    91.832    31.671    74.869    22.460    24.256  5.0394  22.511  3.8641  1.744810       6.350346 
1 1 1 -6  -2  44 f 38.670  2.6721  214.223   26.044    235.124   44.682    203.468   32.052    39.620  4.2783  37.720  3.2027  1.900330       5.344289 
1 1 1 -6  -2  45 f 11.327  5.1414  -6.7037   33.862    0.0000    0.0000    -6.7037   33.862    ?       ?       11.327  5.1414  ?              ?        
1 1 1 -6  -2  46 o 9.8337  3.0337  1.7413    15.109    -25.6264  30.090    10.968    17.471    9.3194  4.4295  10.348  4.1465  -1.028637      6.067415 
1 1 1 -6  -2  47 o 16.118  3.7731  46.197    18.632    37.773    35.675    49.357    21.849    15.016  5.9552  17.219  4.6348  -2.202968      7.546256 
1 1 1 -6  -1  1  o 236.941 4.4567  7531.17   282.715   7256.42   399.066   7808.02   400.578   232.596 6.4055  241.286 6.1982  -8.690201      8.913386 
1 1 1 -6  -1  2  f 136.613 2.7386  2500.90   100.206   2477.40   141.711   2524.39   141.713   135.971 3.8911  137.255 3.8547  -1.284256      5.477147 
1 1 1 -6  -1  3  o 350.616 6.4658  16514.39  607.150   16817.36  859.984   16213.32  857.302   353.831 9.0741  347.402 9.2132  6.428619       12.93151 
1 1 1 -6  -1  4  o 228.271 4.3589  6988.01   266.513   7016.65   377.277   6959.49   376.537   228.738 6.1579  227.804 6.1710  0.9342804      8.717874 
1 1 1 -6  -1  5  o 394.045 7.2949  20872.43  769.939   20908.45  1088.61   20836.39  1089.10   394.387 10.305  393.704 10.328  0.6834412      14.58988 
1 1 1 -6  -1  6  o 211.497 4.0809  5997.33   231.179   5979.48   326.678   6015.24   327.194   211.182 5.7753  211.812 5.7672  -0.6307678     8.161793 
1 1 1 -6  -1  7  o 214.060 4.1515  6144.20   237.984   5997.03   336.188   6292.02   336.934   211.488 5.9348  216.633 5.8067  -5.144470      8.303021 
1 1 1 -6  -1  8  o 84.883  2.1092  965.154   47.951    950.916   67.554    979.611   68.074    84.252  2.9936  85.514  2.9720  -1.261940      4.218341 
1 1 1 -6  -1  9  o 484.536 8.9432  31601.06  1160.66   31708.37  1641.16   31493.69  1641.69   485.363 12.624  483.708 12.671  1.654968       17.88644 
1 1 1 -6  -1  10 o 598.191 11.043  48284.41  1769.24   47819.04  2502.41   48749.55  2501.76   595.287 15.694  601.096 15.539  -5.808716      22.08536 
1 1 1 -6  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -1  12 o 475.906 8.7295  30471.38  1112.46   31314.28  1574.73   29631.65  1571.78   482.504 12.185  469.308 12.504  13.19617       17.45893 
1 1 1 -6  -1  13 o 301.362 5.6429  12185.09  455.472   12333.94  645.107   12037.13  643.166   303.200 7.9435  299.524 8.0168  3.675476       11.28579 
1 1 1 -6  -1  14 o 176.879 3.5463  4196.97   167.823   3985.14   238.058   4406.26   236.624   172.434 5.1543  181.324 4.8721  -8.889587      7.092551 
1 1 1 -6  -1  15 o 147.043 3.0287  2898.75   119.032   3145.54   169.621   2659.29   167.081   153.215 4.1332  140.870 4.4281  12.34489       6.057360 
1 1 1 -6  -1  16 o 195.835 3.8103  5146.68   199.367   5603.49   283.438   4699.36   280.481   204.452 5.1758  187.218 5.5933  17.23450       7.620606 
1 1 1 -6  -1  17 o 444.944 8.2590  26677.08  983.963   25911.14  1392.12   27441.72  1390.94   438.521 11.852  451.366 11.505  -12.84515      16.51792 
1 1 1 -6  -1  18 o 93.467  2.2617  1170.00   56.606    1200.03   81.235    1141.66   78.922    94.632  3.2049  92.302  3.1922  2.329819       4.523491 
1 1 1 -6  -1  19 o 309.799 5.8485  12921.93  485.287   13061.73  687.851   12783.38  684.758   311.473 8.2449  308.126 8.2970  3.347076       11.69693 
1 1 1 -6  -1  20 o 148.230 3.0425  2959.11   119.550   3504.66   171.184   2439.71   167.032   161.638 3.9540  134.822 4.6254  26.81601       6.085076 
1 1 1 -6  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -1  22 o 108.138 2.5015  1570.52   72.372    1528.75   104.001   1609.74   100.774   106.737 3.6377  109.539 3.4347  -2.802498      5.003048 
1 1 1 -6  -1  23 o 195.938 3.9081  5169.29   205.027   5066.38   291.859   5269.56   288.084   193.996 5.6168  197.880 5.4353  -3.884369      7.816107 
1 1 1 -6  -1  24 o 123.680 2.8352  2071.17   93.063    1780.36   133.246   2348.13   130.035   115.107 4.3218  132.254 3.6708  -17.14727      5.670342 
1 1 1 -6  -1  25 o 192.690 3.8604  5005.87   199.031   4796.75   283.603   5208.81   279.388   188.690 5.6114  196.690 5.3032  -8.000076      7.720846 
1 1 1 -6  -1  26 o 195.741 3.9453  5168.55   206.617   4949.74   294.532   5380.56   289.922   191.623 5.7385  199.859 5.4159  -8.236298      7.890608 
1 1 1 -6  -1  27 o 176.599 3.5715  4197.40   168.867   4373.86   241.775   4029.33   235.960   180.229 5.0084  172.969 5.0931  7.259995       7.143058 
1 1 1 -6  -1  28 o 100.567 2.5366  1368.33   67.849    1235.06   98.528    1488.53   93.571    95.854  3.8376  105.281 3.3182  -9.426559      5.073226 
1 1 1 -6  -1  29 o 119.925 2.6875  1929.58   86.125    2125.57   125.086   1752.92   118.758   125.712 3.7149  114.139 3.8846  11.57315       5.374940 
1 1 1 -6  -1  30 o 47.544  3.2239  304.593   40.312    341.174   61.155    276.484   53.607    50.053  4.6135  45.035  4.5045  5.018372       6.447814 
1 1 1 -6  -1  31 o 131.762 2.9184  2342.56   102.912   2413.13   149.288   2278.66   142.061   133.639 4.1706  129.886 4.0834  3.753021       5.836834 
1 1 1 -6  -1  32 o 71.293  2.1479  676.348   40.742    790.853   61.446    586.511   54.427    76.617  2.9942  65.969  3.0802  10.64790       4.295727 
1 1 1 -6  -1  33 o 199.426 4.0879  5480.35   218.275   5500.92   313.205   5460.92   304.361   199.717 5.8550  199.134 5.7063  0.5831757      8.175719 
1 1 1 -6  -1  34 o 50.666  2.0982  344.296   28.059    375.162   43.548    322.384   36.691    52.561  3.1071  48.771  2.8208  3.789215       4.196501 
1 1 1 -6  -1  35 o 25.230  2.4618  83.048    15.646    119.638   25.709    61.524    19.718    29.498  3.3110  20.963  3.6440  8.535324       4.923568 
1 1 1 -6  -1  36 o 20.750  2.7003  60.155    14.065    62.818    22.989    58.563    17.781    21.018  4.2300  20.481  3.3575  0.5370502      5.400566 
1 1 1 -6  -1  37 o 28.803  2.4353  110.675   18.008    136.600   29.487    95.255    22.741    31.390  3.5706  26.216  3.3126  5.173939       4.870566 
1 1 1 -6  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -1  39 o 30.227  2.4860  126.036   19.115    135.236   31.625    120.740   23.994    30.945  3.9023  29.509  3.0811  1.436033       4.972081 
1 1 1 -6  -1  40 o 21.126  3.2547  66.345    17.221    64.031    29.230    67.576    21.312    20.572  5.2787  21.681  3.8090  -1.108784      6.509450 
1 1 1 -6  -1  41 o 30.825  2.5805  125.436   20.051    182.896   34.181    95.287    24.759    35.884  3.6050  25.765  3.6934  10.11976       5.161078 
1 1 1 -6  -1  42 o 15.293  3.4436  33.580    15.014    40.285    26.989    30.576    18.067    16.257  5.3508  14.329  4.3363  1.927238       6.887294 
1 1 1 -6  -1  43 o 20.694  3.3853  68.006    17.467    61.812    31.257    70.819    21.062    19.459  5.6581  21.930  3.7185  -2.471270      6.770612 
1 1 1 -6  -1  44 o 11.463  3.0980  14.792    14.526    -15.7668  28.188    25.840    16.949    9.7572  4.5239  13.169  4.2338  -3.411855      6.196049 
1 1 1 -6  -1  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  -1  46 o 22.471  3.7060  83.374    20.399    88.388    37.952    81.336    24.190    22.018  6.1818  22.925  4.0895  -0.9070473     7.412020 
1 1 1 -6  0   1  o 418.561 9.3744  23564.69  991.706   23790.73  1717.58   23451.65  1214.62   419.603 15.282  417.520 10.861  2.082855       18.74873 
1 1 1 -6  0   2  o 463.788 8.5502  28967.75  1062.15   28897.70  1503.19   29037.59  1501.02   463.224 12.115  464.353 12.068  -1.129761      17.10045 
1 1 1 -6  0   3  o 372.004 6.9051  18599.90  687.999   18777.61  972.886   18422.13  973.070   373.788 9.7174  370.220 9.8129  3.567902       13.81011 
1 1 1 -6  0   4  o 184.049 3.6142  4541.30   178.145   4622.43   251.807   4460.00   252.061   185.696 5.0626  182.401 5.1593  3.295181       7.228315 
1 1 1 -6  0   5  o 209.096 4.0565  5862.50   227.157   5737.43   320.832   5988.23   321.666   206.857 5.7905  211.335 5.6826  -4.477417      8.113056 
1 1 1 -6  0   6  o 118.211 2.5519  1876.36   80.411    2104.67   114.403   1653.43   113.047   125.336 3.4078  111.085 3.7994  14.25106       5.103756 
1 1 1 -6  0   7  o 66.007  1.8617  584.123   32.888    565.429   46.951    602.130   46.081    64.969  2.6981  67.045  2.5660  -2.076103      3.723451 
1 1 1 -6  0   8  o 161.424 3.2314  3492.50   139.647   3634.48   198.230   3352.61   196.760   164.684 4.4940  158.165 4.6445  6.518494       6.462747 
1 1 1 -6  0   9  o 473.905 8.7073  30227.87  1104.82   31248.82  1563.92   29210.75  1560.98   481.931 12.115  465.879 12.509  16.05182       17.41464 
1 1 1 -6  0   10 o 115.873 2.5742  1803.02   79.673    1658.57   113.190   1944.85   112.166   111.261 3.7982  120.485 3.4757  -9.224426      5.148449 
1 1 1 -6  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  0   12 o 393.865 7.3279  20844.35  772.862   20303.93  1093.46   21383.86  1092.53   388.746 10.501  398.984 10.223  -10.23773      14.65583 
1 1 1 -6  0   13 f 642.772 11.770  55776.72  2026.08   57003.54  2867.21   54553.15  2863.41   649.885 16.472  635.659 16.818  14.22589       23.54042 
1 1 1 -6  0   14 o 245.796 4.6888  8101.80   308.687   8083.86   437.604   8119.57   435.503   245.524 6.6542  246.068 6.6077  -0.5438232     9.377633 
1 1 1 -6  0   15 o 293.263 5.5075  11542.08  432.452   11941.63  613.101   11146.48  610.068   298.323 7.6728  288.203 7.9030  10.12000       11.01495 
1 1 1 -6  0   16 o 352.217 6.5435  16668.81  617.205   17078.99  874.464   16261.62  871.264   356.547 9.1566  347.887 9.3502  8.659851       13.08705 
1 1 1 -6  0   17 o 132.001 2.9816  2359.92   103.964   1922.81   147.786   2788.15   146.279   119.763 4.6071  144.239 3.7863  -24.47591      5.963286 
1 1 1 -6  0   18 o 28.430  1.8139  108.790   13.587    124.960   19.825    94.471    18.657    30.442  2.4522  26.418  2.6734  4.023272       3.627722 
1 1 1 -6  0   19 o 173.300 3.5759  4041.39   165.475   3701.53   235.201   4374.50   232.851   166.049 5.2883  180.551 4.8149  -14.50179      7.151868 
1 1 1 -6  0   20 o 196.096 3.8458  5166.04   201.954   5314.27   287.453   5021.55   283.794   198.878 5.3962  193.313 5.4809  5.564880       7.691535 
1 1 1 -6  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  0   22 o 154.436 3.1869  3202.65   131.781   3326.40   188.427   3084.18   184.372   157.359 4.4706  151.514 4.5431  5.844955       6.373856 
1 1 1 -6  0   23 o 169.256 3.4840  3854.95   157.841   3748.62   225.200   3957.61   221.293   166.945 5.0362  171.567 4.8155  -4.622238      6.967995 
1 1 1 -6  0   24 o 141.132 2.9826  2673.73   112.627   2852.93   161.761   2505.12   156.908   145.726 4.1443  136.539 4.2904  9.186890       5.965114 
1 1 1 -6  0   25 o 74.660  2.2568  759.956   44.362    639.471   64.702    866.840   60.941    68.929  3.5162  80.391  2.8302  -11.46134      4.513697 
1 1 1 -6  0   26 o 267.544 5.2181  9699.92   373.594   9290.34   530.804   10101.99  525.912   261.868 7.5677  273.221 7.1864  -11.35355      10.43618 
1 1 1 -6  0   27 o 135.721 2.9554  2475.31   107.384   2518.29   154.740   2435.38   149.141   136.851 4.2215  134.590 4.1371  2.260849       5.910726 
1 1 1 -6  0   28 o 187.790 3.7312  4755.82   187.316   5169.85   268.580   4363.71   261.378   195.784 5.1216  179.796 5.4275  15.98872       7.462494 
1 1 1 -6  0   29 o 133.343 2.9844  2398.86   106.405   2332.94   153.783   2459.41   147.381   131.556 4.3643  135.131 4.0719  -3.575714      5.968838 
1 1 1 -6  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  0   31 f 51.250  2.1498  360.455   28.811    315.837   43.562    395.145   38.411    48.289  3.3895  54.211  2.6453  -5.922009      4.299564 
1 1 1 -6  0   32 o 128.158 2.8856  2224.08   98.932    2276.13   144.131   2177.71   136.042   129.546 4.1538  126.769 4.0065  2.776299       5.771175 
1 1 1 -6  0   33 o 53.234  2.0567  379.308   28.975    417.342   44.571    351.469   38.132    55.505  3.0092  50.963  2.8043  4.542332       4.113352 
1 1 1 -6  0   34 o 56.205  2.1176  424.641   31.485    458.590   48.491    399.896   41.398    58.101  3.1275  54.310  2.8559  3.790745       4.235217 
1 1 1 -6  0   35 o 11.284  2.6552  15.729    10.552    -2.1503   17.540    25.871    13.210    9.0303  3.9168  13.537  3.5860  -4.507034      5.310472 
1 1 1 -6  0   36 o 17.864  2.9326  43.006    13.318    56.372    22.675    35.966    16.456    19.843  4.3833  15.885  3.8971  3.957955       5.865218 
1 1 1 -6  0   37 o 28.254  2.4886  106.834   17.906    128.780   29.916    94.583    22.352    30.389  3.7553  26.118  3.2665  4.270788       4.977171 
1 1 1 -6  0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  0   39 o 25.003  2.9897  92.012    18.158    83.352    30.853    96.601    22.461    23.727  5.0118  26.278  3.2611  -2.551403      5.979423 
1 1 1 -6  0   40 f 23.683  3.0103  74.746    17.723    114.045   30.602    54.912    21.740    28.077  4.1981  19.290  4.3156  8.786970       6.020672 
1 1 1 -6  0   41 o 12.448  3.1935  20.253    13.977    5.1286    25.675    26.624    16.663    11.367  4.8309  13.529  4.1781  -2.162045      6.386999 
1 1 1 -6  0   42 f 24.336  3.2152  87.989    19.084    94.620    33.479    84.797    23.227    24.565  5.2475  24.106  3.7168  0.4595833      6.430451 
1 1 1 -6  0   43 f 45.804  2.5960  298.028   30.306    326.698   51.313    282.671   37.556    47.026  4.1153  44.583  3.1656  2.443420       5.191949 
1 1 1 -6  0   44 o 16.978  3.6700  47.836    18.097    35.655    33.390    52.902    21.534    15.492  5.8642  18.463  4.4142  -2.970955      7.339931 
1 1 1 -6  0   45 o 14.407  3.5036  17.830    16.819    65.414    31.570    -1.0293   19.875    19.538  5.6878  9.2766  4.0926  10.26127       7.007170 
1 1 1 -6  0   46 o 11.974  3.3691  18.504    15.600    7.5721    30.692    22.311    18.114    11.709  5.1280  12.239  4.3711  -0.5304394     6.738111 
1 1 1 -6  1   1  o 319.933 8.4346  13745.90  722.790   0.0000    0.0000    13745.90  722.790   ?       ?       319.933 8.4346  ?              ?        
1 1 1 -6  1   2  o 38.063  2.5007  231.829   20.494    121.172   35.234    288.408   25.194    29.723  4.5722  46.402  2.0271  -16.67942      5.001371 
1 1 1 -6  1   3  o 186.486 3.6526  4662.14   182.438   4722.22   258.377   4602.42   257.636   187.684 5.1397  185.286 5.1913  2.397934       7.305179 
1 1 1 -6  1   4  o 384.164 7.1080  19837.62  731.388   19982.55  1034.87   19692.98  1033.81   385.570 10.021  382.757 10.084  2.812653       14.21609 
1 1 1 -6  1   5  o 490.366 9.0639  32389.80  1190.48   32407.42  1684.14   32372.21  1683.06   490.499 12.819  490.233 12.818  0.2662354      18.12779 
1 1 1 -6  1   6  o 187.133 3.6275  4694.23   181.818   4734.64   256.923   4653.69   257.336   187.941 5.1038  186.326 5.1563  1.615158       7.255075 
1 1 1 -6  1   7  f 345.992 6.4402  16075.82  596.819   15912.98  843.632   16238.97  844.427   344.233 9.1498  347.750 9.0658  -3.516724      12.88050 
1 1 1 -6  1   8  o 243.986 4.6512  7984.04   303.934   8099.42   429.654   7868.47   430.002   245.754 6.5272  242.219 6.6279  3.534332       9.302329 
1 1 1 -6  1   9  o 728.940 13.344  71971.05  2604.43   74295.86  3684.74   69650.07  3681.69   740.834 18.569  717.046 19.170  23.78784       26.68881 
1 1 1 -6  1   10 f 307.864 8.1136  12746.77  668.560   12128.36  941.694   13375.23  949.325   300.308 11.707  315.419 11.237  -15.11078      16.22719 
1 1 1 -6  1   11 o 130.901 3.3037  2259.38   110.306   2180.09   135.448   2415.54   190.072   127.558 3.9644  134.245 5.2860  -6.687378      6.607471 
1 1 1 -6  1   12 o 345.962 6.4315  16067.60  595.971   15957.40  842.426   16178.01  843.235   344.772 9.1224  347.152 9.0686  -2.379944      12.86305 
1 1 1 -6  1   13 o 176.711 3.6176  4185.26   171.224   4204.89   241.910   4165.55   242.385   177.127 5.0990  176.295 5.1331  0.8312378      7.235175 
1 1 1 -6  1   14 o 329.372 6.1500  14564.25  542.448   14200.62  766.521   14929.04  767.753   325.244 8.7989  333.499 8.5948  -8.255463      12.30004 
1 1 1 -6  1   15 o 427.852 7.9894  24623.80  915.539   24881.92  1294.69   24365.62  1294.84   430.104 11.238  425.599 11.359  4.505402       15.97876 
1 1 1 -6  1   16 o 393.589 7.2146  20836.31  760.481   20442.34  1074.84   21231.23  1076.13   389.848 10.293  397.329 10.112  -7.481110      14.42915 
1 1 1 -6  1   17 o 223.642 4.3169  6711.78   258.588   6713.69   365.375   6709.87   366.024   223.674 6.0987  223.610 6.1112  0.6445313E-01  8.633707 
1 1 1 -6  1   18 o 99.950  2.4150  1340.72   64.545    1425.70   91.102    1255.08   91.459    103.136 3.2978  96.763  3.5288  6.373619       4.829925 
1 1 1 -6  1   19 o 403.223 7.6220  22023.74  823.042   22507.04  1164.05   21540.60  1163.86   407.697 10.660  398.749 10.897  8.947632       15.24393 
1 1 1 -6  1   20 f 86.989  2.1605  1014.60   50.337    1018.17   70.939    1010.99   71.439    87.144  3.0392  86.835  3.0715  0.3087540      4.320980 
1 1 1 -6  1   21 o 100.844 2.3704  1364.20   64.023    1368.52   90.132    1359.79   90.959    101.007 3.3315  100.682 3.3729  0.3245850      4.740817 
1 1 1 -6  1   22 o 179.723 3.6356  4344.47   174.994   4405.43   247.248   4283.28   247.710   180.992 5.1002  178.453 5.1824  2.538818       7.271099 
1 1 1 -6  1   23 o 123.142 2.7224  2036.29   89.785    2063.42   126.744   2008.96   127.209   123.968 3.8171  122.316 3.8828  1.652245       5.444807 
1 1 1 -6  1   24 o 113.263 2.5726  1722.89   78.010    1779.99   110.191   1665.52   110.455   115.150 3.5727  111.376 3.7026  3.773705       5.145197 
1 1 1 -6  1   25 o 83.542  2.1939  936.365   49.064    893.912   68.927    979.969   69.856    81.620  3.1528  85.464  3.0516  -3.843773      4.387789 
1 1 1 -6  1   26 o 85.697  2.1960  985.493   50.406    979.004   71.077    992.059   71.495    85.413  3.1068  85.980  3.1045  -0.5677185     4.392059 
1 1 1 -6  1   27 o 87.502  2.2353  1028.22   52.365    1064.21   74.021    992.163   74.090    89.039  3.1037  85.964  3.2177  3.074165       4.470687 
1 1 1 -6  1   28 o 75.020  2.1053  755.811   42.298    765.652   59.580    745.811   60.058    75.514  2.9457  74.525  3.0087  0.9890060      4.210635 
1 1 1 -6  1   29 o 12.319  2.8119  17.508    10.715    29.537    17.187    9.8611    13.703    14.629  4.1786  10.008  3.7639  4.621101       5.623850 
1 1 1 -6  1   30 o 94.025  2.4209  1187.13   60.831    1242.98   89.749    1139.68   82.734    96.054  3.4884  91.996  3.3576  4.057999       4.841705 
1 1 1 -6  1   31 o 37.782  2.0710  187.899   20.401    246.495   31.746    146.676   26.627    42.707  2.7906  32.857  3.0608  9.849777       4.141975 
1 1 1 -6  1   32 o 45.151  2.0585  269.283   24.449    324.852   38.352    231.239   31.733    48.990  2.9363  41.312  2.8859  7.678303       4.117062 
1 1 1 -6  1   33 o 25.868  2.3280  90.723    15.414    98.195    24.903    86.082    19.625    26.672  3.5758  25.064  2.9818  1.607485       4.655920 
1 1 1 -6  1   34 o 41.735  2.1319  234.425   23.303    252.270   36.839    222.521   30.088    43.002  3.2218  40.468  2.7930  2.534031       4.263892 
1 1 1 -6  1   35 o 37.373  2.2186  191.219   21.537    190.183   34.015    191.911   27.825    37.206  3.4526  37.540  2.7871  -0.3336372     4.437183 
1 1 1 -6  1   36 o 22.824  2.6799  68.836    15.330    93.611    25.856    55.405    19.038    25.848  3.8523  19.800  3.7265  6.048445       5.359769 
1 1 1 -6  1   37 o 24.276  3.3174  82.106    21.006    0.0000    0.0000    82.106    21.006    ?       ?       24.276  3.3174  ?              ?        
1 1 1 -6  1   38 o 15.574  3.1576  33.118    13.196    41.708    23.225    29.023    16.036    16.918  4.8651  14.230  4.0264  2.687737       6.315158 
1 1 1 -6  1   39 o 16.716  3.3061  41.967    15.194    35.342    25.549    45.592    18.898    15.759  5.2070  17.674  4.0754  -1.915087      6.612270 
1 1 1 -6  1   40 o 15.773  3.2954  38.953    15.344    20.668    27.409    47.299    18.517    13.594  5.2703  17.952  3.9576  -4.357994      6.590789 
1 1 1 -6  1   41 o 21.899  3.3027  81.120    18.085    48.159    31.352    97.557    22.140    17.598  5.7658  26.200  3.2230  -8.601292      6.605438 
1 1 1 -6  1   42 o 7.7353  2.5644  -12.9187  12.394    -26.1519  23.675    -7.9229   14.547    8.1713  3.8965  7.2993  3.3349  0.8719616      5.128782 
1 1 1 -6  1   43 o 14.643  3.5750  23.564    16.244    56.165    30.919    11.134    19.092    18.487  5.6883  10.799  4.3320  7.687771       7.149998 
1 1 1 -6  1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  1   45 o 20.904  3.5388  82.948    20.271    39.466    37.158    101.371   24.187    15.699  6.1225  26.108  3.5508  -10.40904      7.077644 
1 1 1 -6  1   46 o 15.450  3.7811  38.486    17.390    50.760    34.063    34.159    20.224    16.528  5.9829  14.372  4.6252  2.156180       7.562240 
1 1 1 -6  2   1  o 133.473 3.3180  2338.93   113.189   2549.04   194.951   2232.09   139.021   137.887 5.2785  129.060 4.0216  8.827820       6.635989 
1 1 1 -6  2   2  f 61.369  1.7982  504.759   29.542    520.755   41.618    488.515   41.940    62.350  2.4921  60.388  2.5929  1.961452       3.596312 
1 1 1 -6  2   3  o 81.286  2.0167  885.486   43.890    910.432   61.877    860.226   62.264    82.439  2.8023  80.133  2.9009  2.306107       4.033360 
1 1 1 -6  2   4  o 341.586 6.3455  15672.04  580.533   15469.35  820.590   15875.14  821.406   339.368 9.0275  343.803 8.9199  -4.434235      12.69092 
1 1 1 -6  2   5  f 373.486 6.8821  18742.66  688.467   18695.54  973.386   18789.83  973.893   373.016 9.7425  373.957 9.7230  -0.9418640     13.76418 
1 1 1 -6  2   6  o 439.473 8.1085  25981.56  954.342   26472.64  1349.77   25490.65  1349.52   443.644 11.359  435.302 11.574  8.341949       16.21699 
1 1 1 -6  2   7  o 533.034 9.8230  38291.51  1402.33   37699.24  1982.49   38884.63  1983.91   528.884 13.995  537.184 13.788  -8.300293      19.64605 
1 1 1 -6  2   8  o 501.308 9.2302  33838.38  1239.38   33832.05  1752.50   33844.71  1753.00   501.261 13.053  501.354 13.054  -0.9341431E-01 18.46045 
1 1 1 -6  2   9  o 219.470 4.2279  6457.98   248.530   6495.61   351.273   6420.25   351.676   220.111 5.9582  218.829 6.0000  1.282242       8.455729 
1 1 1 -6  2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  2   11 o 698.863 12.801  66041.98  2395.79   67588.49  3389.05   64497.07  3387.28   707.119 17.894  690.607 18.312  16.51147       25.60275 
1 1 1 -6  2   12 o 196.904 3.8830  5197.95   204.732   5336.74   289.420   5058.94   289.649   199.538 5.4152  194.271 5.5664  5.267624       7.765911 
1 1 1 -6  2   13 o 606.617 11.102  49648.76  1803.46   50815.30  2551.14   48483.43  2549.83   613.792 15.518  599.442 15.881  14.34930       22.20357 
1 1 1 -6  2   14 o 398.558 7.4468  21352.38  794.806   20834.19  1123.35   21871.81  1124.70   393.699 10.653  403.417 10.409  -9.718079      14.89365 
1 1 1 -6  2   15 o 313.751 5.8430  13217.20  491.025   13109.95  694.062   13324.67  694.767   312.474 8.2927  315.029 8.2338  -2.554169      11.68606 
1 1 1 -6  2   16 o 297.720 5.6497  11907.87  450.420   12205.72  636.955   11609.96  637.026   301.455 7.8885  293.984 8.0899  7.470978       11.29939 
1 1 1 -6  2   17 o 339.968 6.3960  15558.76  582.414   15491.86  823.308   15625.78  824.008   339.234 9.0610  340.703 9.0296  -1.469208      12.79196 
1 1 1 -6  2   18 o 143.386 3.0367  2758.11   116.607   2809.32   164.686   2706.63   165.131   144.723 4.2484  142.048 4.3401  2.674286       6.073380 
1 1 1 -6  2   19 o 319.081 5.9647  13742.31  509.765   13648.32  720.548   13836.49  721.287   317.981 8.4600  320.180 8.4105  -2.199097      11.92936 
1 1 1 -6  2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  2   21 o 70.277  2.0358  663.232   38.251    706.555   53.942    619.413   54.249    72.592  2.7743  67.962  2.9802  4.629921       4.071607 
1 1 1 -6  2   22 o 180.647 3.6876  4391.31   178.374   4512.54   252.093   4269.75   252.425   183.156 5.1387  178.137 5.2904  5.018860       7.375233 
1 1 1 -6  2   23 o 205.521 4.0759  5691.77   224.317   5835.21   317.052   5548.00   317.412   208.130 5.6873  202.912 5.8402  5.218735       8.151893 
1 1 1 -6  2   24 o 48.269  1.9289  314.194   24.751    342.396   34.947    285.808   35.061    50.465  2.5942  46.073  2.8552  4.391987       3.857711 
1 1 1 -6  2   25 o 81.133  2.1715  883.135   47.183    864.668   66.385    901.987   67.075    80.275  3.0875  81.991  3.0543  -1.715691      4.342907 
1 1 1 -6  2   26 o 71.736  2.0515  690.339   39.408    668.232   55.332    713.096   56.140    70.570  2.9273  72.903  2.8750  -2.332916      4.102993 
1 1 1 -6  2   27 o 92.879  2.3083  1158.86   57.408    1185.13   80.938    1132.26   81.438    93.942  3.2167  91.815  3.3115  2.126686       4.616590 
1 1 1 -6  2   28 o 57.310  1.9506  441.934   29.862    459.638   41.981    423.802   42.485    58.514  2.6786  56.107  2.8362  2.406612       3.901185 
1 1 1 -6  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  2   30 o 114.506 2.5858  1769.69   79.261    1838.67   112.035   1700.57   112.148   116.758 3.5825  112.254 3.7299  4.503616       5.171673 
1 1 1 -6  2   31 o 61.999  1.9907  517.738   33.057    519.114   46.574    516.341   46.928    62.084  2.8007  61.914  2.8298  0.1696815      3.981438 
1 1 1 -6  2   32 o 53.572  1.9626  388.195   28.059    392.693   39.406    383.569   39.963    53.894  2.7388  53.249  2.8119  0.6450691      3.925294 
1 1 1 -6  2   33 o 34.136  1.9195  158.294   17.400    156.163   24.231    160.563   25.001    33.902  2.6906  34.371  2.7384  -0.4683838     3.839001 
1 1 1 -6  2   34 o 58.275  2.1857  461.547   33.632    460.862   51.611    462.052   44.340    58.132  3.3284  58.418  2.8337  -0.2854004     4.371331 
1 1 1 -6  2   35 o 25.786  2.8318  100.338   17.480    69.613    28.059    119.824   22.345    21.983  4.8915  29.590  2.8548  -7.606752      5.663622 
1 1 1 -6  2   36 f 39.091  2.2965  210.169   23.194    209.354   37.196    210.688   29.667    38.911  3.6100  39.270  2.8396  -0.3590088     4.593014 
1 1 1 -6  2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  2   38 o 14.314  2.7929  30.537    14.058    -12.5352  24.513    51.644    17.160    9.5829  4.3592  19.045  3.4927  -9.462454      5.585784 
1 1 1 -6  2   39 o 24.578  3.0720  88.802    18.400    85.599    31.600    90.446    22.632    23.872  5.0971  25.284  3.4304  -1.412039      6.143965 
1 1 1 -6  2   40 o 11.162  3.1423  11.834    13.478    6.4703    24.616    14.131    16.107    11.349  4.7716  10.976  4.0899  0.3728228      6.284586 
1 1 1 -6  2   41 o 9.5581  2.9643  0.0486    13.369    -4.0828   25.379    1.6354    15.728    10.296  4.5793  8.8202  3.7655  1.475882       5.928649 
1 1 1 -6  2   42 o 20.766  3.4581  72.602    18.377    51.255    32.859    82.317    22.167    17.790  5.9064  23.742  3.5986  -5.952137      6.916290 
1 1 1 -6  2   43 o 43.502  2.5768  265.965   28.583    309.271   48.845    243.413   35.248    45.740  4.0280  41.263  3.2147  4.477776       5.153504 
1 1 1 -6  2   44 o 35.335  3.0161  184.787   26.200    205.042   46.380    175.294   31.751    36.038  4.9345  34.632  3.4696  1.405903       6.032173 
1 1 1 -6  2   45 o 24.618  3.5439  85.875    21.159    148.598   40.075    61.633    24.914    29.926  5.1876  19.309  4.8296  10.61770       7.087711 
1 1 1 -6  3   1  o 199.868 3.8961  5356.07   208.568   5400.48   295.160   5311.79   294.760   200.696 5.4907  199.040 5.5289  1.656372       7.792103 
1 1 1 -6  3   2  o 165.524 3.2857  3672.21   145.672   3681.30   206.035   3663.13   205.987   165.729 4.6414  165.319 4.6519  0.4096222      6.571369 
1 1 1 -6  3   3  o 113.817 2.5001  1735.88   76.206    1771.11   107.744   1700.62   107.799   114.974 3.4987  112.661 3.5723  2.312325       5.000242 
1 1 1 -6  3   4  o 72.562  1.9320  705.332   37.549    707.018   53.055    703.640   53.150    72.649  2.7265  72.475  2.7379  0.1738510      3.863951 
1 1 1 -6  3   5  o 50.841  1.6800  346.338   22.869    356.668   32.311    335.968   32.373    51.602  2.3378  50.081  2.4133  1.520149       3.359985 
1 1 1 -6  3   6  o 60.418  1.7733  488.997   28.690    475.370   40.485    502.746   40.664    59.572  2.5372  61.263  2.4781  -1.691628      3.546640 
1 1 1 -6  3   7  o 92.342  2.1820  1142.34   53.968    1147.36   76.207    1137.29   76.437    92.545  3.0744  92.138  3.0972  0.4074249      4.364007 
1 1 1 -6  3   8  o 586.755 10.786  46442.82  1695.14   46774.07  2397.35   46111.61  2397.23   588.862 15.199  584.647 15.308  4.214966       21.57237 
1 1 1 -6  3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  3   10 o 174.628 3.5006  4087.00   163.731   4108.73   231.364   4065.21   231.739   175.093 4.9333  174.162 4.9677  0.9306030      7.001112 
1 1 1 -6  3   11 o 330.785 6.1591  14685.90  545.682   14550.79  771.364   14821.26  772.059   329.259 8.7465  332.311 8.6740  -3.052032      12.31821 
1 1 1 -6  3   12 o 537.261 9.8660  38877.23  1419.76   38722.61  2007.49   39031.95  2008.18   536.186 13.978  538.335 13.927  -2.148621      19.73202 
1 1 1 -6  3   13 o 617.523 11.392  51485.85  1884.10   52288.78  2664.94   50683.42  2664.11   622.375 15.986  612.670 16.234  9.704163       22.78411 
1 1 1 -6  3   14 o 386.494 7.1707  20077.68  742.321   19968.79  1049.51   20186.69  1050.09   385.442 10.166  387.546 10.116  -2.104156      14.34149 
1 1 1 -6  3   15 o 391.690 7.2878  20639.82  764.582   20754.29  1081.16   20525.29  1081.41   392.781 10.277  390.598 10.336  2.183228       14.57566 
1 1 1 -6  3   16 o 595.927 11.053  48216.48  1764.19   47570.34  2494.20   48863.38  2495.70   591.879 15.733  599.975 15.530  -8.095886      22.10664 
1 1 1 -6  3   17 o 177.185 3.4980  4212.42   165.997   4148.05   234.484   4277.08   235.028   175.826 4.9790  178.544 4.9146  -2.718033      6.995932 
1 1 1 -6  3   18 o 354.194 6.6403  16958.30  629.434   16136.29  889.242   17783.69  891.068   345.515 9.6087  362.873 9.1678  -17.35837      13.28067 
1 1 1 -6  3   19 o 114.043 3.5686  1744.09   108.437   1509.68   149.796   2002.16   157.175   105.990 5.2765  122.095 4.8061  -16.10545      7.137257 
1 1 1 -6  3   20 o 185.045 3.6950  4607.21   182.939   4855.19   258.728   4359.27   258.702   190.048 5.0827  180.042 5.3646  10.00572       7.389997 
1 1 1 -6  3   21 o 194.759 3.8832  5104.56   202.569   5101.73   286.233   5107.40   286.720   194.706 5.4885  194.813 5.4948  -0.1069336     7.766342 
1 1 1 -6  3   22 o 129.414 2.8261  2250.08   97.911    2330.12   138.344   2169.77   138.592   131.728 3.9210  127.101 4.0710  4.626503       5.652155 
1 1 1 -6  3   23 f 124.405 2.7276  2078.38   90.880    2042.84   128.201   2114.28   128.849   123.334 3.8808  125.476 3.8338  -2.142151      5.455130 
1 1 1 -6  3   24 o 126.751 2.7720  2157.98   94.099    2117.11   132.737   2199.26   133.418   125.542 3.9474  127.960 3.8927  -2.418083      5.543927 
1 1 1 -6  3   25 o 45.084  1.8726  273.568   22.512    275.126   31.705    271.983   31.970    45.216  2.6292  44.953  2.6671  0.2628593      3.745172 
1 1 1 -6  3   26 o 94.643  2.3427  1203.27   59.358    1242.17   83.770    1164.04   84.121    96.185  3.2516  93.101  3.3733  3.083260       4.685318 
1 1 1 -6  3   27 o 143.529 3.1049  2775.85   119.304   2871.66   168.511   2679.56   168.932   146.028 4.3083  141.029 4.4721  4.998917       6.209773 
1 1 1 -6  3   28 o 74.711  2.0883  749.944   41.777    725.248   58.739    775.225   59.431    73.464  2.9851  75.958  2.9211  -2.494545      4.176583 
1 1 1 -6  3   29 o 119.452 2.7071  1924.89   86.605    1952.61   122.228   1896.93   122.728   120.324 3.7925  118.580 3.8640  1.743752       5.414256 
1 1 1 -6  3   30 o 11.353  2.5623  15.630    9.6012    26.387    13.373    4.1872    13.793    13.731  3.5942  8.9755  3.6528  4.755437       5.124521 
1 1 1 -6  3   31 o 57.199  1.9736  441.437   30.174    424.651   42.366    458.720   42.987    56.054  2.8309  58.343  2.7508  -2.288574      3.947281 
1 1 1 -6  3   32 o 27.563  2.0308  103.972   14.725    110.860   20.610    96.790    21.044    28.533  2.7302  26.593  3.0072  1.939465       4.061656 
1 1 1 -6  3   33 o 54.818  1.9712  407.356   28.841    431.842   40.751    382.783   40.824    56.527  2.6915  53.109  2.8806  3.418068       3.942372 
1 1 1 -6  3   34 o 12.118  2.7299  19.699    10.060    22.963    14.067    16.282    14.393    12.859  3.8118  11.378  3.9090  1.480905       5.459827 
1 1 1 -6  3   35 o 58.149  2.0434  459.850   31.774    454.375   44.815    465.384   45.057    57.762  2.9059  58.536  2.8737  -0.7749443     4.086894 
1 1 1 -6  3   36 o 33.823  4.8777  163.433   42.912    0.0000    0.0000    163.433   42.912    ?       ?       33.823  4.8777  ?              ?        
1 1 1 -6  3   37 o 17.684  3.3145  38.528    14.622    65.911    28.854    29.067    16.960    21.100  5.1505  14.268  4.1734  6.831603       6.629081 
1 1 1 -6  3   38 o 24.356  3.1106  90.811    18.328    71.664    30.773    101.336   22.816    21.806  5.3167  26.907  3.2304  -5.100422      6.221161 
1 1 1 -6  3   39 o 9.6914  2.9033  1.8280    12.129    8.6371    21.941    -1.1685   14.556    11.184  4.5856  8.1990  3.5622  2.984926       5.806590 
1 1 1 -6  3   40 o 26.457  3.0403  104.954   19.527    98.374    33.317    108.397   24.101    25.320  5.0891  27.595  3.3279  -2.275658      6.080656 
1 1 1 -6  3   41 o 16.097  3.5577  36.285    15.987    52.532    29.200    29.330    19.104    18.144  5.5177  14.049  4.4926  4.095399       7.115357 
1 1 1 -6  3   42 o 50.572  2.5488  364.237   33.193    390.849   54.873    348.880   41.684    51.587  4.0026  49.557  3.1568  2.029926       5.097622 
1 1 1 -6  3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  3   44 o 33.782  2.9515  160.570   24.564    217.981   45.053    136.285   29.302    37.332  4.6031  30.232  3.6956  7.100496       5.903056 
1 1 1 -6  3   45 o 10.817  3.1677  9.2042    16.574    -35.2826  34.045    23.024    18.975    9.2978  4.4942  12.335  4.4654  -3.037684      6.335421 
1 1 1 -6  4   1  o 223.674 4.2725  6709.49   255.952   6624.82   362.055   6794.09   361.887   222.261 6.0816  225.087 6.0025  -2.825455      8.544991 
1 1 1 -6  4   2  o 128.991 2.7206  2229.57   93.994    2212.38   133.046   2246.71   132.810   128.495 3.8657  129.488 3.8292  -0.9935913     5.441209 
1 1 1 -6  4   3  o 321.792 6.0042  13902.48  517.512   13904.42  731.858   13900.54  731.888   321.814 8.4905  321.769 8.4920  0.4504395E-01  12.00845 
1 1 1 -6  4   4  o 223.076 4.2681  6673.23   254.984   6808.19   360.710   6538.43   360.494   225.333 5.9764  220.819 6.0950  4.514679       8.536213 
1 1 1 -6  4   5  o 37.264  1.5785  186.871   15.649    172.852   22.084    201.011   22.179    35.848  2.3123  38.679  2.1493  -2.830887      3.156961 
1 1 1 -6  4   6  o 156.337 3.1299  3275.75   131.034   3190.22   185.158   3361.56   185.461   154.291 4.4804  158.383 4.3718  -4.091751      6.259869 
1 1 1 -6  4   7  o 377.320 6.9838  19125.22  705.813   19203.88  998.136   19046.54  998.205   378.098 9.8559  376.541 9.8973  1.556885       13.96767 
1 1 1 -6  4   8  o 547.203 10.085  40349.25  1478.06   40359.60  2090.25   40338.91  2090.35   547.274 14.259  547.133 14.264  0.1413574      20.16905 
1 1 1 -6  4   9  o 1159.98 31.407  190900.91 9737.64   204719.20 13787.90  177149.59 13754.37  1204.27 42.745  1115.70 46.026  88.56970       62.81350 
1 1 1 -6  4   10 f 377.796 6.9855  19168.97  706.863   19005.74  999.411   19332.36  999.900   376.182 9.9188  379.409 9.8392  -3.227142      13.97110 
1 1 1 -6  4   11 o 133.257 2.8011  2379.32   99.972    2404.71   141.305   2353.87   141.459   133.969 3.9379  132.544 3.9846  1.424576       5.602127 
1 1 1 -6  4   12 o 125.890 2.7302  2123.46   92.055    2097.35   130.047   2149.68   130.324   125.114 3.8807  126.666 3.8413  -1.551514      5.460302 
1 1 1 -6  4   13 o 252.456 4.8059  8548.91   324.975   8553.58   459.414   8544.23   459.753   252.525 6.7922  252.387 6.8009  0.1385498      9.611811 
1 1 1 -6  4   14 o 135.316 2.8726  2453.84   104.107   2412.38   146.973   2495.60   147.489   134.168 4.0898  136.463 4.0351  -2.295670      5.745278 
1 1 1 -6  4   15 o 262.421 4.9439  9247.62   347.411   9491.25   491.274   9003.92   491.352   265.887 6.8982  258.954 7.0840  6.933289       9.887828 
1 1 1 -6  4   16 o 353.388 6.5838  16826.38  623.141   16574.12  880.800   17079.16  881.711   350.721 9.3762  356.055 9.2453  -5.333466      13.16769 
1 1 1 -6  4   17 o 269.017 5.1390  9739.54   370.290   9703.99   523.403   9775.15   523.936   268.524 7.2772  269.510 7.2579  -0.9862061     10.27791 
1 1 1 -6  4   18 o 166.118 3.3359  3705.24   148.425   3670.47   209.630   3740.19   210.180   165.335 4.7337  166.901 4.7016  -1.565750      6.671748 
1 1 1 -6  4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  4   20 o 317.646 6.0136  13664.90  511.606   13475.41  723.103   13854.83  723.938   315.418 8.5590  319.874 8.4496  -4.455414      12.02714 
1 1 1 -6  4   21 o 77.839  2.0758  813.045   43.254    842.080   61.009    783.701   61.333    79.240  2.8745  76.439  2.9956  2.800659       4.151679 
1 1 1 -6  4   22 o 112.472 2.6135  1699.23   78.680    1768.27   111.105   1629.78   111.435   114.771 3.6142  110.173 3.7762  4.597862       5.227087 
1 1 1 -6  4   23 o 203.358 4.0104  5572.56   218.395   5428.76   308.425   5717.17   309.292   200.713 5.7370  206.004 5.6054  -5.291519      8.020815 
1 1 1 -6  4   24 o 65.130  2.0732  569.367   36.144    591.464   51.024    547.112   51.207    66.401  2.8689  63.858  2.9938  2.542789       4.146451 
1 1 1 -6  4   25 o 45.447  1.8962  278.035   22.978    279.459   32.378    276.590   32.615    45.566  2.6645  45.328  2.6986  0.2383156      3.792340 
1 1 1 -6  4   26 o 82.475  2.1812  913.309   48.184    911.049   67.859    915.608   68.429    82.373  3.0757  82.577  3.0938  -0.2045898     4.362471 
1 1 1 -6  4   27 o 28.798  2.0397  112.389   15.513    108.445   21.558    116.624   22.342    28.269  2.8876  29.327  2.8814  -1.058260      4.079309 
1 1 1 -6  4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  4   29 o 80.841  2.1836  879.976   47.281    876.989   66.563    883.018   67.171    80.704  3.0793  80.978  3.0969  -0.2744064     4.367223 
1 1 1 -6  4   30 o 95.466  2.3986  1231.01   61.333    1234.62   86.538    1227.37   86.938    95.610  3.3792  95.323  3.4051  0.2872162      4.797252 
1 1 1 -6  4   31 o 77.752  2.1847  816.873   45.494    801.386   63.994    832.698   64.688    77.004  3.1027  78.500  3.0765  -1.495880      4.369410 
1 1 1 -6  4   32 o 50.684  1.9674  348.238   26.600    353.202   37.394    343.154   37.846    51.059  2.7444  50.309  2.8199  0.7497673      3.934893 
1 1 1 -6  4   33 o 88.608  2.3106  1066.91   54.836    1073.08   77.395    1060.68   77.706    88.872  3.2513  88.345  3.2839  0.5276642      4.621128 
1 1 1 -6  4   34 o 32.786  2.0342  146.710   17.661    137.444   24.508    156.721   25.473    31.693  2.9199  33.880  2.8331  -2.186399      4.068477 
1 1 1 -6  4   35 o 52.342  2.0113  373.445   28.052    348.008   39.266    399.961   40.089    50.494  2.9157  54.191  2.7712  -3.697235      4.022560 
1 1 1 -6  4   36 o 44.149  2.9598  267.367   34.797    267.367   34.797    0.0000    0.0000    44.149  2.9598  ?       ?       ?              ?        
1 1 1 -6  4   37 o 40.128  2.0941  222.136   22.337    226.313   31.292    217.798   31.895    40.538  2.9011  39.719  3.0207  0.8196449      4.188178 
1 1 1 -6  4   38 o 12.690  2.9245  21.972    11.790    29.498    16.353    13.826    17.013    14.246  4.0782  11.135  4.1927  3.111168       5.848976 
1 1 1 -6  4   39 o 20.752  2.6394  62.696    13.932    43.135    19.106    84.905    20.359    17.012  4.2147  24.492  3.1784  -7.479689      5.278837 
1 1 1 -6  4   40 o 21.208  3.3765  88.405    20.433    10.451    40.143    115.666   23.739    13.865  5.9696  28.551  3.1570  -14.68611      6.752980 
1 1 1 -6  4   41 o 21.410  3.2572  60.188    17.476    110.621   31.933    38.626    20.880    26.979  4.5830  15.840  4.6298  11.13887       6.514488 
1 1 1 -6  4   42 o 11.819  3.3541  14.609    16.052    -2.8878   30.792    21.138    18.809    11.240  5.0184  12.398  4.4514  -1.157734      6.708149 
1 1 1 -6  4   43 o 27.123  3.3008  107.702   22.031    140.970   38.973    92.077    26.709    29.706  5.0807  24.540  4.2153  5.166409       6.601635 
1 1 1 -6  4   44 o 14.627  3.7376  26.392    16.996    58.382    34.065    15.790    19.611    17.940  6.0151  11.315  4.4381  6.624795       7.475165 
1 1 1 -6  5   1  o 157.106 3.1738  3308.41   133.526   3225.99   188.834   3390.82   188.835   155.148 4.5441  159.065 4.4322  -3.917145      6.347692 
1 1 1 -6  5   2  o 250.648 4.7412  8426.67   318.302   8454.59   450.322   8398.80   449.971   251.063 6.6965  250.232 6.7135  0.8307953      9.482377 
1 1 1 -6  5   3  f 32.305  1.5454  140.437   13.293    138.998   18.841    141.863   18.757    32.138  2.2020  32.472  2.1690  -0.3333740     3.090879 
1 1 1 -6  5   4  f 97.112  2.2569  1263.60   58.692    1295.54   83.031    1231.71   82.976    98.339  3.1523  95.885  3.2308  2.453949       4.513887 
1 1 1 -6  5   5  o 119.965 2.5759  1928.22   82.770    1937.87   117.046   1918.56   117.062   120.265 3.6335  119.665 3.6523  0.6007996      5.151834 
1 1 1 -6  5   6  o 420.055 7.7834  23720.21  875.719   23786.31  1238.49   23654.12  1238.42   420.642 10.992  419.467 11.023  1.174835       15.56687 
1 1 1 -6  5   7  o 345.699 6.4357  16045.43  595.908   15948.17  842.627   16142.75  842.856   344.648 9.1279  346.749 9.0750  -2.101105      12.87147 
1 1 1 -6  5   8  o 415.040 15.418  23232.17  1714.01   23232.17  1714.01   0.0000    0.0000    415.040 15.418  ?       ?       ?              ?        
1 1 1 -6  5   9  o 254.235 4.8265  8669.54   328.556   8405.07   464.311   8934.78   464.985   250.346 6.9244  258.124 6.7255  -7.778305      9.652903 
1 1 1 -6  5   10 o 197.318 3.9313  5219.10   207.767   5268.37   293.771   5169.81   293.883   198.251 5.5323  196.386 5.5870  1.864899       7.862589 
1 1 1 -6  5   11 o 463.319 8.5538  28877.45  1061.47   28573.81  1500.83   29181.34  1501.47   460.871 12.158  465.766 12.035  -4.894653      17.10752 
1 1 1 -6  5   12 o 258.219 4.9071  8945.57   339.291   8685.58   479.524   9206.23   480.138   254.455 7.0358  261.982 6.8423  -7.527283      9.814249 
1 1 1 -6  5   13 o 207.740 3.9998  5786.88   222.561   5807.22   314.647   5766.52   314.851   208.106 5.6448  207.375 5.6684  0.7315216      7.999664 
1 1 1 -6  5   14 o 299.090 5.7332  12019.62  459.248   11826.23  649.170   12213.37  649.780   296.674 8.1694  301.505 8.0460  -4.831573      11.46638 
1 1 1 -6  5   15 o 108.260 2.4205  1570.84   70.181    1545.05   99.096    1596.80   99.408    107.367 3.4458  109.152 3.4002  -1.784500      4.840961 
1 1 1 -6  5   16 o 359.480 6.7139  17444.73  646.339   17058.69  913.581   17831.60  914.543   355.468 9.5953  363.492 9.3933  -8.024261      13.42774 
1 1 1 -6  5   17 o 238.337 4.5364  7645.23   289.397   7309.36   408.777   7982.71   409.762   233.065 6.5482  243.610 6.2798  -10.54501      9.072771 
1 1 1 -6  5   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  5   19 o 163.403 3.3413  3587.96   146.237   3610.59   206.626   3565.24   206.995   163.921 4.7061  162.884 4.7445  1.037231       6.682632 
1 1 1 -6  5   20 o 83.602  2.1402  937.464   47.925    937.408   67.595    937.520   67.959    83.600  3.0187  83.605  3.0348  -0.4325867E-02 4.280471 
1 1 1 -6  5   21 o 37.849  1.8039  192.974   18.178    194.342   25.504    191.562   25.915    37.989  2.5208  37.710  2.5812  0.2789879      3.607898 
1 1 1 -6  5   22 f 105.278 2.4363  1488.01   68.678    1526.38   96.940    1449.36   97.311    106.644 3.3937  103.912 3.4963  2.732285       4.872512 
1 1 1 -6  5   23 o 65.504  1.9942  575.523   34.988    568.946   49.370    582.159   49.592    65.128  2.8302  65.880  2.8104  -0.7526245     3.988482 
1 1 1 -6  5   24 o 133.564 2.8555  2397.52   102.154   2373.29   144.249   2421.90   144.686   132.885 4.0527  134.242 4.0239  -1.357285      5.711094 
1 1 1 -6  5   25 o 105.714 2.4364  1501.15   68.986    1486.01   97.376    1516.41   97.747    105.177 3.4565  106.250 3.4347  -1.072411      4.872855 
1 1 1 -6  5   26 o 79.371  2.1574  846.209   45.863    849.206   64.670    843.177   65.053    79.513  3.0365  79.228  3.0655  0.2850113      4.314802 
1 1 1 -6  5   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  5   28 o 95.587  2.3719  1231.16   60.707    1262.90   85.673    1199.14   86.034    96.833  3.3032  94.341  3.4047  2.492760       4.743730 
1 1 1 -6  5   29 o 81.925  2.2414  905.078   49.177    921.394   69.461    888.680   69.633    82.672  3.1369  81.179  3.2024  1.492188       4.482800 
1 1 1 -6  5   30 o 46.458  1.9201  291.887   23.749    270.512   33.281    314.064   33.900    44.706  2.7933  48.210  2.6352  -3.503735      3.840191 
1 1 1 -6  5   31 o 84.718  2.2835  972.494   51.788    1004.85   73.053    939.808   73.428    86.154  3.1657  83.283  3.2917  2.871094       4.566935 
1 1 1 -6  5   32 o 48.909  1.9404  324.392   25.314    316.645   35.544    332.367   36.061    48.312  2.7582  49.507  2.7301  -1.194889      3.880858 
1 1 1 -6  5   33 o 40.259  1.9883  220.623   21.141    187.352   29.326    256.627   30.506    37.044  2.9808  43.474  2.6322  -6.430420      3.976670 
1 1 1 -6  5   34 f 26.963  2.2438  100.974   15.724    115.080   22.149    86.641    22.327    28.965  2.8936  24.962  3.4300  4.003298       4.487566 
1 1 1 -6  5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  5   36 o 30.476  2.1824  128.478   17.480    113.314   24.252    144.872   25.217    28.542  3.2291  32.410  2.9368  -3.867756      4.364834 
1 1 1 -6  5   37 o 35.853  2.1506  178.389   20.441    184.581   28.768    172.076   29.049    36.515  2.9671  35.190  3.1140  1.324551       4.301229 
1 1 1 -6  5   38 o 36.378  2.1167  184.479   20.428    187.827   28.561    180.971   29.228    36.750  2.9258  36.007  3.0596  0.7427788      4.233375 
1 1 1 -6  5   39 o 12.331  2.9493  20.937    11.662    17.128    16.345    24.887    16.645    11.534  4.1487  13.128  4.1930  -1.593803      5.898520 
1 1 1 -6  5   40 o 12.786  3.0182  23.165    12.212    27.661    17.579    18.971    16.977    13.672  4.3028  11.899  4.2336  1.772832       6.036335 
1 1 1 -6  5   41 o 23.738  2.7121  83.139    16.268    59.522    22.228    110.382   23.873    19.753  4.3213  27.723  3.2785  -7.969341      5.424232 
1 1 1 -6  5   42 o 12.462  4.3714  22.100    18.045    22.100    18.045    0.0000    0.0000    12.462  4.3714  ?       ?       ?              ?        
1 1 1 -6  5   43 o 13.593  3.5216  27.745    16.087    19.981    31.450    30.496    18.722    13.221  5.4629  13.965  4.4455  -0.7448435     7.043142 
1 1 1 -6  6   1  o 60.007  1.8100  482.431   29.085    493.954   41.112    470.886   41.153    60.725  2.5276  59.290  2.5914  1.435242       3.619978 
1 1 1 -6  6   2  o 142.150 2.9397  2707.81   111.924   2682.84   158.411   2732.70   158.160   141.495 4.1798  142.805 4.1349  -1.309647      5.879451 
1 1 1 -6  6   3  o 245.823 4.6859  8104.60   308.532   8172.02   436.526   8037.31   436.134   246.846 6.6023  244.801 6.6515  2.045563       9.371900 
1 1 1 -6  6   4  o 307.464 5.7313  12686.98  471.989   12721.77  667.618   12652.21  667.369   307.886 8.0956  307.042 8.1148  0.8444824      11.46252 
1 1 1 -6  6   5  o 353.320 6.5421  16766.36  618.921   16267.97  874.929   17265.57  875.645   348.049 9.3852  358.590 9.1168  -10.54068      13.08423 
1 1 1 -6  6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  6   7  o 363.046 8.3359  17854.27  761.680   18112.93  933.520   17339.12  1317.42   367.271 9.4896  358.822 13.707  8.449005       16.67172 
1 1 1 -6  6   8  o 325.708 6.0699  14238.14  529.520   14082.73  748.688   14393.69  749.021   323.926 8.6291  327.490 8.5390  -3.564026      12.13984 
1 1 1 -6  6   9  o 108.873 2.4491  1588.17   71.407    1620.45   100.983   1555.89   100.988   109.980 3.4280  107.766 3.4986  2.213959       4.898142 
1 1 1 -6  6   10 o 416.784 7.6748  23348.31  856.737   23586.57  1211.72   23110.14  1211.50   418.918 10.799  414.650 10.908  4.267456       15.34951 
1 1 1 -6  6   11 o 271.425 5.1407  9884.00   373.721   9796.63   528.328   9971.49   528.716   270.222 7.2995  272.627 7.2404  -2.404816      10.28137 
1 1 1 -6  6   12 o 372.348 6.9285  18637.10  690.988   18759.14  977.148   18515.04  977.262   373.572 9.7656  371.124 9.8311  2.447662       13.85702 
1 1 1 -6  6   13 o 133.585 2.7897  2391.69   99.814    2363.32   140.988   2420.20   141.329   132.790 3.9639  134.380 3.9265  -1.589279      5.579474 
1 1 1 -6  6   14 o 395.108 7.3746  21056.25  780.249   20505.93  1102.86   21607.73  1104.02   389.904 10.560  400.312 10.297  -10.40826      14.74912 
1 1 1 -6  6   15 o 315.104 5.8998  13376.08  497.940   13329.85  704.060   13422.35  704.327   314.557 8.3564  315.652 8.3306  -1.095215      11.79954 
1 1 1 -6  6   16 o 194.654 3.8162  5090.91   198.938   5192.38   281.317   4989.41   281.365   196.600 5.3422  192.707 5.4511  3.893173       7.632421 
1 1 1 -6  6   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  6   18 o 209.885 4.1159  5929.49   231.355   5811.20   326.909   6048.19   327.462   207.778 5.8741  211.992 5.7671  -4.213837      8.231862 
1 1 1 -6  6   19 o 121.719 2.6486  1988.77   86.337    1946.44   121.884   2031.39   122.316   120.417 3.7789  123.022 3.7120  -2.604614      5.297138 
1 1 1 -6  6   20 o 208.756 4.1690  5872.00   233.096   5941.08   329.514   5802.81   329.782   209.993 5.8584  207.519 5.9331  2.474030       8.338026 
1 1 1 -6  6   21 o 125.410 2.7221  2112.07   91.436    2119.40   129.140   2104.71   129.479   125.629 3.8378  125.191 3.8613  0.4382553      5.444145 
1 1 1 -6  6   22 o 73.382  2.0763  722.522   40.802    735.773   57.487    709.070   57.920    74.062  2.8979  72.702  2.9744  1.359474       4.152680 
1 1 1 -6  6   23 o 287.361 5.5300  11201.51  425.568   11435.37  601.831   10967.62  601.857   290.400 7.7373  284.322 7.9030  6.077362       11.06001 
1 1 1 -6  6   24 o 245.648 4.7467  8170.01   312.285   8298.92   441.515   8040.95   441.759   247.609 6.6572  243.687 6.7681  3.922287       9.493408 
1 1 1 -6  6   25 o 24.729  2.0984  83.252    13.618    81.451    19.049    85.135    19.477    24.451  2.9695  25.006  2.9657  -0.5551891     4.196791 
1 1 1 -6  6   26 o 33.060  2.0030  147.879   17.565    149.294   24.907    146.479   24.775    33.219  2.8262  32.900  2.8393  0.3183784      4.006096 
1 1 1 -6  6   27 o 80.379  2.1866  869.520   47.056    896.507   66.460    842.391   66.635    81.636  3.0394  79.121  3.1443  2.514580       4.373141 
1 1 1 -6  6   28 o 73.040  2.1252  718.596   41.570    732.549   58.693    704.552   58.884    73.756  2.9710  72.324  3.0397  1.432457       4.250453 
1 1 1 -6  6   29 o 24.782  2.0673  84.007    13.442    80.359    19.090    87.594    18.931    24.226  3.0065  25.337  2.8383  -1.111225      4.134636 
1 1 1 -6  6   30 o 48.350  1.9468  316.444   25.105    314.176   35.213    318.790   35.801    48.176  2.7402  48.525  2.7660  -0.3487129     3.893508 
1 1 1 -6  6   31 o 15.126  2.5440  32.675    10.431    44.039    14.652    20.997    14.852    17.762  3.1974  12.491  3.9578  5.271053       5.087930 
1 1 1 -6  6   32 o 80.375  2.2194  877.218   47.775    882.962   67.294    871.380   67.839    80.649  3.1152  80.102  3.1619  0.5469971      4.438722 
1 1 1 -6  6   33 o 51.334  2.0157  358.769   27.598    368.371   38.966    349.105   39.093    52.039  2.8059  50.630  2.8947  1.408203       4.031473 
1 1 1 -6  6   34 o 73.346  2.1971  734.048   43.163    733.665   60.825    734.436   61.259    73.331  3.0967  73.361  3.1176  -0.2941132E-01 4.394210 
1 1 1 -6  6   35 f 54.090  2.0520  401.096   29.584    421.324   41.716    380.629   41.961    55.502  2.8153  52.678  2.9862  2.824345       4.104060 
1 1 1 -6  6   36 o 11.294  2.9112  14.638    11.638    20.219    16.447    9.0416    16.469    12.325  4.1793  10.263  4.0538  2.061986       5.822352 
1 1 1 -6  6   37 f 22.969  2.5662  75.097    15.196    65.600    20.797    85.975    22.258    21.329  3.7786  24.609  3.4734  -3.279858      5.132482 
1 1 1 -6  6   38 o 8.4834  2.4958  -2.0729   10.472    12.309    14.568    -17.4521  15.064    10.372  3.8847  6.5946  3.1343  3.777447       4.991501 
1 1 1 -6  6   39 o 14.109  3.0544  29.635    12.641    31.246    17.297    27.787    18.519    14.455  4.2108  13.762  4.4257  0.6936073      6.108773 
1 1 1 -6  6   40 o 30.842  2.3849  136.622   19.356    138.805   26.917    134.285   27.854    31.157  3.2743  30.526  3.4683  0.6316433      4.769712 
1 1 1 -6  6   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  6   42 o 18.181  2.8734  52.040    14.954    85.563    21.307    19.497    20.993    24.153  3.3865  12.209  4.6429  11.94452       5.746784 
1 1 1 -6  6   43 o 13.737  3.1098  29.601    13.185    22.239    18.381    37.403    18.922    12.254  4.4003  15.220  4.3956  -2.966051      6.219690 
1 1 1 -6  7   1  o 294.594 5.5249  11646.00  435.945   11602.95  616.419   11689.07  616.620   294.048 7.8265  295.140 7.8001  -1.091309      11.04971 
1 1 1 -6  7   2  o 277.843 5.2607  10359.28  391.353   10699.02  553.841   10020.49  553.073   282.402 7.3220  273.285 7.5558  9.116974       10.52145 
1 1 1 -6  7   3  o 428.044 7.8936  24634.59  905.010   24704.70  1280.12   24564.53  1279.64   428.655 11.149  427.433 11.177  1.221893       15.78728 
1 1 1 -6  7   4  o 336.531 6.2739  15204.18  565.526   15222.69  799.927   15185.69  799.622   336.736 8.8689  336.326 8.8764  0.4101868      12.54783 
1 1 1 -6  7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  7   6  o 647.744 11.926  56661.87  2069.09   56826.75  2926.28   56497.02  2925.98   648.694 16.842  646.794 16.889  1.899902       23.85160 
1 1 1 -6  7   7  o 175.277 3.4709  4117.30   162.949   4127.46   230.402   4107.14   230.489   175.493 4.9016  175.060 4.9156  0.4329834      6.941783 
1 1 1 -6  7   8  o 397.397 7.3626  21222.10  783.436   21863.46  1108.41   20581.83  1107.48   403.417 10.258  391.378 10.565  12.03955       14.72530 
1 1 1 -6  7   9  o 67.686  1.9517  613.835   35.369    634.752   50.074    593.008   49.966    68.837  2.7158  66.535  2.8037  2.302460       3.903409 
1 1 1 -6  7   10 o 142.012 2.9553  2703.19   112.367   2795.63   159.013   2610.99   158.808   144.439 4.1102  139.585 4.2476  4.854019       5.910625 
1 1 1 -6  7   11 o 168.183 3.3980  3792.33   153.017   3672.06   216.212   3913.01   216.586   165.509 4.8772  170.857 4.7327  -5.348572      6.795985 
1 1 1 -6  7   12 o 406.729 7.5581  22282.12  823.284   21860.01  1163.83   22704.90  1164.77   402.852 10.786  410.606 10.591  -7.753571      15.11617 
1 1 1 -6  7   13 o 273.781 5.2057  10075.53  381.621   9772.48   539.277   10379.51  540.112   269.642 7.4668  277.919 7.2557  -8.276337      10.41142 
1 1 1 -6  7   14 o 87.061  2.1640  1016.10   50.451    1039.88   71.254    992.192   71.444    88.083  3.0201  86.038  3.1002  2.045219       4.328071 
1 1 1 -6  7   15 o 143.028 3.0188  2745.05   115.647   2747.39   163.417   2742.70   163.684   143.089 4.2639  142.966 4.2745  0.1229553      6.037514 
1 1 1 -6  7   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  7   17 o 125.313 2.7362  2107.65   91.838    2087.35   129.707   2128.06   130.051   124.707 3.8832  125.919 3.8560  -1.212181      5.472423 
1 1 1 -6  7   18 o 18.760  1.9986  48.458    9.6672    42.392    13.695    54.481    13.648    17.530  3.0261  19.989  2.6115  -2.459251      3.997149 
1 1 1 -6  7   19 o 256.700 4.9653  8900.23   341.395   8840.79   482.575   8959.78   483.035   255.836 7.0423  257.565 7.0017  -1.728531      9.930651 
1 1 1 -6  7   20 o 164.698 3.3362  3647.61   147.155   3575.62   207.805   3720.03   208.414   163.062 4.7579  166.334 4.6780  -3.271774      6.672392 
1 1 1 -6  7   21 o 71.574  2.0677  687.161   39.639    685.648   55.823    688.698   56.295    71.495  2.9151  71.653  2.9333  -0.1581192     4.135418 
1 1 1 -6  7   22 o 165.607 3.4151  3690.44   151.487   3673.47   213.996   3707.50   214.473   165.224 4.8355  165.990 4.8240  -0.7655182     6.830285 
1 1 1 -6  7   23 o 59.022  1.9209  467.361   30.366    468.766   42.762    465.932   43.128    59.112  2.7008  58.932  2.7322  0.1800804      3.841810 
1 1 1 -6  7   24 o 86.651  2.2340  1008.33   51.835    974.872   72.934    1042.47   73.682    85.196  3.1961  88.106  3.1222  -2.910294      4.468074 
1 1 1 -6  7   25 o 105.728 2.5110  1504.24   71.052    1429.35   100.130   1580.19   100.838   103.066 3.6271  108.389 3.4733  -5.323082      5.021958 
1 1 1 -6  7   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  7   27 o 79.527  2.1941  852.118   46.715    877.205   65.854    826.705   66.278    80.714  3.0461  78.340  3.1586  2.373634       4.388118 
1 1 1 -6  7   28 o 13.879  2.3554  26.290    9.7148    46.507    13.898    6.9759    13.585    18.353  2.9255  9.4053  3.6923  8.947393       4.710818 
1 1 1 -6  7   29 o 57.706  1.9764  449.418   30.539    460.801   43.087    437.928   43.290    58.447  2.7523  56.966  2.8372  1.481857       3.952815 
1 1 1 -6  7   30 o 23.059  2.2227  73.441    13.215    60.860    18.375    86.918    19.019    20.921  3.3955  25.198  2.8691  -4.276411      4.445344 
1 1 1 -6  7   31 o 20.875  2.2959  60.610    12.399    64.348    17.478    56.824    17.591    21.566  3.1162  20.185  3.3726  1.380774       4.591829 
1 1 1 -6  7   32 o 56.535  2.0234  434.016   30.574    418.515   42.986    449.886   43.495    55.466  2.9035  57.604  2.8190  -2.137886      4.046888 
1 1 1 -6  7   33 o 49.981  2.0468  340.900   27.258    323.001   38.417    359.047   38.681    48.633  2.9633  51.328  2.8244  -2.695282      4.093689 
1 1 1 -6  7   34 o 63.987  3.0004  559.299   51.424    559.299   51.424    0.0000    0.0000    63.987  3.0004  ?       ?       ?              ?        
1 1 1 -6  7   35 o 43.767  2.0379  263.213   23.732    247.521   33.171    279.668   33.968    42.404  2.9387  45.130  2.8243  -2.726543      4.075843 
1 1 1 -6  7   36 o 15.054  2.9554  32.641    12.450    25.958    16.987    40.396    18.299    13.514  4.2259  16.594  4.1327  -3.079907      5.910856 
1 1 1 -6  7   37 o 23.623  2.4859  80.340    15.124    89.316    21.099    70.855    21.689    25.135  3.2070  22.111  3.7991  3.024160       4.971722 
1 1 1 -6  7   38 o 10.916  2.7934  11.856    11.696    25.969    16.316    -3.0576   16.773    13.332  4.1372  8.5003  3.7544  4.831978       5.586740 
1 1 1 -6  7   39 o 21.637  2.8088  70.508    15.527    83.012    21.494    56.859    22.456    23.966  3.4476  19.308  4.4354  4.657543       5.617696 
1 1 1 -6  7   40 o 19.320  2.9412  57.515    14.869    42.174    21.348    71.970    20.722    16.487  4.6390  22.153  3.6170  -5.666609      5.882427 
1 1 1 -6  7   41 o 20.633  2.9968  65.476    16.008    71.663    22.583    59.227    22.694    21.765  4.0219  19.501  4.4438  2.264086       5.993604 
1 1 1 -6  7   42 o 10.230  2.9326  9.9787    12.585    6.5945    18.351    12.983    17.291    9.8427  4.1282  10.617  4.1665  -0.7747459     5.865255 
1 1 1 -6  8   1  o 126.482 2.6922  2143.61   91.193    2100.81   128.836   2186.58   129.097   125.217 3.8414  127.748 3.7729  -2.531654      5.384318 
1 1 1 -6  8   2  o 440.943 8.1104  26147.71  957.740   26676.71  1354.95   25619.50  1353.95   445.418 11.357  436.468 11.581  8.950043       16.22073 
1 1 1 -6  8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  8   4  o 210.861 5.8592  5981.58   329.871   5459.01   468.118   6497.01   464.913   201.670 8.6661  220.051 7.8879  -18.38158      11.71836 
1 1 1 -6  8   5  o 61.868  1.8173  512.688   30.114    519.024   42.715    506.428   42.460    62.248  2.5619  61.488  2.5781  0.7600594      3.634595 
1 1 1 -6  8   6  o 290.294 5.4481  11307.77  423.487   10984.63  598.725   11631.30  599.078   286.136 7.8121  294.453 7.5959  -8.316559      10.89615 
1 1 1 -6  8   7  o 263.875 5.0265  9340.16   355.224   9515.04   502.559   9165.55   502.167   266.348 7.0445  261.403 7.1721  4.944489       10.05307 
1 1 1 -6  8   8  o 187.112 3.6679  4692.91   183.829   4704.64   259.928   4681.18   260.018   187.346 5.1799  186.878 5.1946  0.4682159      7.335895 
1 1 1 -6  8   9  o 291.290 5.5038  11389.06  429.354   11607.51  607.287   11170.75  607.109   294.089 7.7095  288.491 7.8568  5.597748       11.00753 
1 1 1 -6  8   10 o 464.810 8.6125  29115.26  1072.11   29654.12  1516.54   28576.89  1515.84   469.135 12.069  460.484 12.290  8.651184       17.22498 
1 1 1 -6  8   11 o 382.140 7.1440  19661.45  731.232   19657.60  1034.05   19665.30  1034.19   382.102 10.104  382.177 10.103  -0.7507324E-01 14.28809 
1 1 1 -6  8   12 o 124.901 2.7194  2091.59   90.961    2135.36   128.626   2047.80   128.650   126.210 3.8049  123.593 3.8862  2.617447       5.438761 
1 1 1 -6  8   13 o 343.996 6.4213  15962.48  591.613   15761.04  836.389   16164.20  836.945   341.809 9.1356  346.183 9.0262  -4.373962      12.84252 
1 1 1 -6  8   14 o 244.733 4.6523  8059.47   304.948   7959.31   431.052   8159.82   431.473   243.204 6.6171  246.262 6.5413  -3.057755      9.304604 
1 1 1 -6  8   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  8   16 o 297.327 5.6267  11949.06  448.101   11966.07  633.550   11932.03  633.870   297.542 7.9496  297.113 7.9651  0.4287415      11.25337 
1 1 1 -6  8   17 o 85.367  2.1842  977.758   49.924    1007.09   70.529    948.306   70.678    86.653  3.0387  84.082  3.1383  2.570900       4.368403 
1 1 1 -6  8   18 o 263.878 5.0592  9407.55   357.578   9339.91   505.439   9475.33   505.945   262.921 7.1772  264.835 7.1325  -1.913727      10.11850 
1 1 1 -6  8   19 o 151.122 3.1431  3069.53   127.224   3078.12   179.728   3060.90   180.116   151.336 4.4339  150.909 4.4560  0.4266663      6.286141 
1 1 1 -6  8   20 o 160.898 3.3260  3481.42   143.337   3474.76   202.480   3488.11   202.940   160.744 4.7028  161.052 4.7045  -0.3080902     6.651977 
1 1 1 -6  8   21 o 111.167 2.5744  1659.86   76.634    1702.82   108.249   1616.69   108.506   112.614 3.5887  109.721 3.6921  2.893112       5.148868 
1 1 1 -6  8   22 o 109.071 2.5154  1599.69   73.366    1703.61   103.675   1495.44   103.836   112.634 3.4365  105.508 3.6743  7.125778       5.030864 
1 1 1 -6  8   23 o 103.125 2.4829  1429.71   68.546    1479.59   96.736    1379.42   97.143    104.939 3.4416  101.311 3.5799  3.628021       4.965895 
1 1 1 -6  8   24 o 83.198  2.2072  930.048   49.183    914.620   69.205    945.791   69.910    82.500  3.1318  83.896  3.1111  -1.395927      4.414407 
1 1 1 -6  8   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  8   26 o 69.465  2.0487  649.170   38.116    638.838   53.581    659.755   54.233    68.905  2.9032  70.025  2.8915  -1.120277      4.097465 
1 1 1 -6  8   27 o 27.028  2.0099  99.457    14.331    98.783    20.086    100.155   20.453    26.937  2.8261  27.120  2.8588  -0.1831551     4.019869 
1 1 1 -6  8   28 o 75.040  2.1674  760.698   43.556    770.259   61.268    750.928   61.932    75.525  3.0287  74.556  3.1013  0.9686890      4.334892 
1 1 1 -6  8   29 o 32.250  1.9724  141.495   16.869    143.609   24.016    139.436   23.699    32.490  2.7867  32.010  2.7921  0.4799805      3.944780 
1 1 1 -6  8   30 o 101.278 2.4768  1395.64   67.159    1342.76   94.605    1449.36   95.355    99.320  3.5562  103.237 3.4484  -3.917023      4.953619 
1 1 1 -6  8   31 o 34.875  2.0659  167.820   18.840    195.371   26.377    139.126   26.920    37.915  2.6133  31.836  3.2003  6.078516       4.131734 
1 1 1 -6  8   32 o 22.789  2.3571  72.162    13.944    67.780    19.271    76.977    20.203    22.041  3.3714  23.537  3.2949  -1.496122      4.714121 
1 1 1 -6  8   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  8   34 o 16.885  2.7334  40.881    12.478    24.192    17.177    59.527    18.156    13.242  4.2626  20.527  3.4228  -7.284372      5.466768 
1 1 1 -6  8   35 o 38.832  2.1006  208.775   21.656    214.338   30.209    202.893   31.063    39.404  2.8823  38.261  3.0566  1.142948       4.201234 
1 1 1 -6  8   36 o 13.693  2.8705  26.882    11.910    37.714    16.493    15.075    17.219    16.030  3.8823  11.355  4.2292  4.675070       5.740966 
1 1 1 -6  8   37 o 24.607  2.4714  87.152    15.710    98.513    22.303    75.963    22.134    26.346  3.2280  22.868  3.7432  3.478212       4.942810 
1 1 1 -6  8   38 o 24.759  2.5476  88.861    16.379    83.670    22.968    94.233    23.365    23.963  3.6974  25.555  3.5059  -1.591820      5.095249 
1 1 1 -6  8   39 o 12.543  3.0614  21.569    12.637    15.866    17.362    27.994    18.427    11.350  4.2429  13.736  4.4144  -2.385859      6.122844 
1 1 1 -6  8   40 o 7.6106  2.5023  -16.7854  12.169    -26.8263  15.671    -1.5328   19.315    6.0392  2.9488  9.1821  4.0435  -3.142877      5.004554 
1 1 1 -6  8   41 o 33.005  2.4029  159.838   20.839    172.607   29.212    146.607   29.735    34.520  3.1957  31.491  3.5894  3.029236       4.805853 
1 1 1 -6  9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  9   2  o 205.844 4.0489  5680.66   223.207   5568.85   315.536   5792.64   315.789   203.814 5.7800  207.873 5.6717  -4.058838      8.097882 
1 1 1 -6  9   3  o 269.154 5.0981  9717.27   367.512   9843.91   519.999   9590.87   519.482   270.909 7.1662  267.400 7.2531  3.509521       10.19615 
1 1 1 -6  9   4  o 416.947 7.7122  23367.83  861.081   23981.43  1218.46   22755.65  1217.04   422.435 10.769  411.460 11.043  10.97421       15.42446 
1 1 1 -6  9   5  o 765.388 14.059  79398.45  2882.01   78440.52  4075.18   80356.95  4076.38   760.715 20.000  770.060 19.763  -9.345276      28.11765 
1 1 1 -6  9   6  o 291.167 5.4590  11375.31  425.736   11435.26  602.290   11315.45  601.873   291.934 7.7025  290.399 7.7379  1.535828       10.91802 
1 1 1 -6  9   7  o 229.633 4.3980  7071.46   270.496   7152.09   382.738   6991.00   382.339   230.942 6.1874  228.323 6.2519  2.618835       8.796021 
1 1 1 -6  9   8  o 640.207 11.828  55493.31  2027.31   57385.79  2868.58   53604.86  2865.52   651.227 16.445  629.186 17.003  22.04169       23.65521 
1 1 1 -6  9   9  o 321.013 5.9639  13845.58  512.781   13725.53  725.034   13965.73  725.330   319.616 8.4692  322.410 8.3992  -2.793213      11.92784 
1 1 1 -6  9   10 o 116.424 2.6176  1817.49   81.576    1892.55   115.368   1742.44   115.363   118.831 3.6246  114.018 3.7775  4.813667       5.235232 
1 1 1 -6  9   11 o 450.816 8.4084  27506.97  1014.78   28547.49  1435.81   26468.45  1434.44   459.423 11.668  442.210 12.111  17.21326       16.81687 
1 1 1 -6  9   12 o 108.619 2.4503  1581.83   71.284    1562.69   100.708   1601.04   100.915   107.960 3.4827  109.278 3.4477  -1.318077      4.900597 
1 1 1 -6  9   13 o 229.057 4.4484  7058.10   272.912   6997.73   385.819   7118.55   386.092   228.072 6.3157  230.041 6.2661  -1.968460      8.896736 
1 1 1 -6  9   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  9   15 o 333.155 6.2687  15037.37  559.387   15027.94  790.945   15046.81  791.240   333.050 8.8664  333.260 8.8641  -0.2099915     12.53738 
1 1 1 -6  9   16 f 95.740  2.3193  1229.81   59.469    1249.96   84.033    1209.60   84.170    96.527  3.2502  94.953  3.3095  1.573952       4.638588 
1 1 1 -6  9   17 o 129.349 2.7972  2246.78   96.912    2257.18   136.912   2236.34   137.195   129.650 3.9426  129.048 3.9692  0.6020813      5.594496 
1 1 1 -6  9   18 o 77.684  2.0835  809.454   43.350    797.138   61.143    821.902   61.471    77.089  2.9612  78.279  2.9318  -1.189514      4.167046 
1 1 1 -6  9   19 o 205.087 4.0537  5667.59   222.677   5630.00   314.665   5705.29   315.160   204.402 5.7474  205.771 5.7182  -1.368713      8.107438 
1 1 1 -6  9   20 o 167.434 3.4311  3772.58   153.855   3840.89   217.431   3704.08   217.737   168.960 4.8045  165.908 4.8998  3.051849       6.862277 
1 1 1 -6  9   21 o 86.409  2.2405  1002.32   51.849    1016.32   73.184    988.209   73.468    87.017  3.1400  85.801  3.1968  1.215416       4.480961 
1 1 1 -6  9   22 f 112.272 2.6421  1694.87   79.431    1737.62   112.153   1651.85   112.511   113.699 3.6827  110.845 3.7896  2.853561       5.284247 
1 1 1 -6  9   23 o 132.689 2.8773  2371.09   102.258   2354.75   144.308   2387.57   144.923   132.228 4.0745  133.149 4.0636  -0.9202576     5.754545 
1 1 1 -6  9   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  9   25 o 46.154  1.9431  287.500   23.908    290.248   33.581    284.676   34.044    46.383  2.7148  45.926  2.7807  0.4571991      3.886203 
1 1 1 -6  9   26 o 59.066  1.9660  469.680   31.101    465.620   43.708    473.843   44.264    58.808  2.7749  59.323  2.7857  -0.5158310     3.931903 
1 1 1 -6  9   27 o 83.900  2.2304  950.902   50.122    943.395   70.604    958.528   71.164    83.567  3.1544  84.234  3.1542  -0.6676407     4.460804 
1 1 1 -6  9   28 o 97.465  2.4271  1288.70   63.339    1321.04   89.291    1255.94   89.861    98.716  3.3770  96.214  3.4869  2.501366       4.854150 
1 1 1 -6  9   29 o 58.856  2.0334  469.529   31.984    483.113   45.045    455.718   45.420    59.764  2.8140  57.948  2.9359  1.816277       4.066706 
1 1 1 -6  9   30 o 12.774  2.6710  22.401    9.9085    17.318    13.811    27.791    14.223    11.529  3.8293  14.019  3.7246  -2.489826      5.341909 
1 1 1 -6  9   31 o 54.647  2.0436  407.088   29.754    439.191   41.895    374.416   42.265    56.905  2.7487  52.389  3.0248  4.516014       4.087147 
1 1 1 -6  9   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  9   33 o 37.561  2.0515  194.224   20.433    206.695   28.743    181.484   29.052    38.828  2.7822  36.295  3.0157  2.532036       4.103051 
1 1 1 -6  9   34 o 39.607  2.1206  216.889   22.312    219.964   31.104    213.629   32.023    39.925  2.9290  39.288  3.0674  0.6377182      4.241248 
1 1 1 -6  9   35 f 8.0464  2.3822  -1.3233   9.2729    -11.7242  13.008    9.4218    13.222    6.4858  3.0293  9.6071  3.6773  -3.121333      4.764325 
1 1 1 -6  9   36 o 28.301  2.3488  114.546   17.247    128.757   23.976    99.306    24.828    30.301  2.9932  26.300  3.6204  4.001070       4.697552 
1 1 1 -6  9   37 o 24.800  2.5762  90.166    16.337    102.888   22.575    76.177    23.673    26.899  3.1958  22.701  4.0415  4.197863       5.152403 
1 1 1 -6  9   38 o 23.086  2.6260  77.926    15.673    73.670    21.736    82.536    22.621    22.396  3.7566  23.776  3.6703  -1.380129      5.251921 
1 1 1 -6  9   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  9   40 o 11.097  2.9468  12.778    12.827    -0.7310   18.078    26.474    18.203    8.9433  3.9257  13.250  4.3959  -4.306926      5.893646 
1 1 1 -6  9   41 f 25.972  2.7277  103.020   18.310    91.585    25.536    115.118   26.268    24.296  4.0677  27.648  3.6352  -3.351404      5.455400 
1 1 1 -6  10  1  o 413.415 7.6795  22971.48  850.332   23231.49  1202.56   22711.47  1202.54   415.764 10.799  411.067 10.922  4.696198       15.35903 
1 1 1 -6  10  2  o 378.924 7.0567  19288.70  716.141   18961.69  1012.51   19616.05  1013.04   375.701 10.062  382.148 9.8971  -6.446686      14.11342 
1 1 1 -6  10  3  o 380.976 6.9982  19497.86  714.074   19224.05  1009.77   19771.77  1009.94   378.292 9.9656  383.659 9.8279  -5.367310      13.99647 
1 1 1 -6  10  4  o 346.185 6.4963  16095.05  602.279   15772.00  851.757   16418.08  851.744   342.701 9.2792  349.668 9.0942  -6.967712      12.99262 
1 1 1 -6  10  5  o 341.953 6.4016  15704.34  586.289   15937.94  829.548   15471.20  828.729   344.500 8.9901  339.405 9.1160  5.094879       12.80323 
1 1 1 -6  10  6  o 146.715 3.0284  2884.72   119.007   2898.12   168.450   2871.36   168.153   147.055 4.2766  146.374 4.2889  0.6808014      6.056781 
1 1 1 -6  10  7  o 229.850 4.4488  7087.49   273.871   7187.51   387.554   6987.72   387.071   231.472 6.2509  228.227 6.3319  3.244736       8.897585 
1 1 1 -6  10  8  o 160.924 3.2386  3471.91   139.590   3492.60   197.532   3451.27   197.289   161.403 4.5692  160.444 4.5908  0.9588470      6.477104 
1 1 1 -6  10  9  o 472.030 8.7856  30137.05  1110.76   29932.77  1570.72   30341.41  1570.99   470.414 12.466  473.645 12.383  -3.231262      17.57116 
1 1 1 -6  10  10 o 204.573 3.9835  5619.17   218.266   5568.88   308.591   5669.51   308.760   203.654 5.6572  205.491 5.6097  -1.836258      7.966957 
1 1 1 -6  10  11 f 154.702 3.2182  3211.82   133.351   3210.89   188.501   3212.77   188.674   154.679 4.5498  154.724 4.5526  -0.4510498E-01 6.436397 
1 1 1 -6  10  12 o 299.079 5.6739  12071.03  454.522   12023.04  642.616   12119.08  642.966   298.480 8.0380  299.677 8.0102  -1.197632      11.34783 
1 1 1 -6  10  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  10  14 o 285.987 5.4123  11051.28  414.525   10826.56  585.875   11276.55  586.579   283.052 7.7277  288.923 7.5798  -5.871460      10.82451 
1 1 1 -6  10  15 o 61.884  1.9009  513.693   31.491    533.606   44.519    493.753   44.549    63.086  2.6347  60.682  2.7409  2.404343       3.801847 
1 1 1 -6  10  16 o 77.970  2.0864  815.540   43.564    833.374   61.553    797.641   61.665    78.826  2.9154  77.115  2.9855  1.711235       4.172806 
1 1 1 -6  10  17 o 246.915 4.7578  8232.99   314.605   8407.00   444.884   8058.92   444.954   249.547 6.6559  244.284 6.8004  5.263367       9.515542 
1 1 1 -6  10  18 o 53.058  1.9614  378.541   27.766    363.789   39.016    393.680   39.523    52.005  2.8114  54.111  2.7358  -2.106220      3.922861 
1 1 1 -6  10  19 o 165.410 3.3602  3681.00   148.869   3712.95   210.313   3648.93   210.752   166.133 4.7263  164.687 4.7778  1.446625       6.720478 
1 1 1 -6  10  20 o 133.310 2.9074  2389.20   103.806   2346.29   146.542   2432.43   147.067   132.105 4.1415  134.515 4.0818  -2.410477      5.814901 
1 1 1 -6  10  21 o 226.041 4.4279  6916.58   267.974   6678.13   378.479   7156.27   379.467   222.096 6.3623  229.987 6.1600  -7.891052      8.855755 
1 1 1 -6  10  22 o 12.279  2.5270  19.216    9.8728    4.6375    14.127    33.133    13.803    9.1602  3.7081  15.398  3.4342  -6.237409      5.054053 
1 1 1 -6  10  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  10  24 o 17.627  2.4684  45.002    11.236    63.881    15.739    25.379    16.046    21.620  2.7825  13.634  4.0779  7.985875       4.936740 
1 1 1 -6  10  25 o 85.120  2.2446  976.882   51.173    965.057   72.059    988.913   72.683    84.599  3.1801  85.640  3.1686  -1.041351      4.489182 
1 1 1 -6  10  26 o 48.503  1.9162  317.963   24.767    298.742   34.721    337.876   35.340    46.996  2.7706  50.010  2.6477  -3.014042      3.832329 
1 1 1 -6  10  27 o 92.773  2.3638  1166.11   58.726    1135.57   82.708    1197.18   83.399    91.538  3.3733  94.008  3.3121  -2.470322      4.727527 
1 1 1 -6  10  28 o 33.286  1.9955  151.548   17.518    167.353   24.588    135.255   24.965    35.104  2.6343  31.468  2.9982  3.635920       3.991094 
1 1 1 -6  10  29 o 8.1626  2.4106  1.7898    8.7974    0.4871    12.188    3.2068    12.711    7.8591  3.3338  8.4660  3.4829  -0.6068335     4.821274 
1 1 1 -6  10  30 o 21.650  2.2947  65.182    12.895    64.037    18.156    66.348    18.319    21.450  3.2631  21.850  3.2272  -0.3997765     4.589372 
1 1 1 -6  10  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  10  32 o 13.225  2.8573  24.188    11.193    29.976    16.116    18.794    15.558    14.466  4.0167  11.985  4.0648  2.480781       5.714522 
1 1 1 -6  10  33 o 40.007  2.0951  220.759   22.289    216.579   31.306    225.055   31.741    39.618  2.9718  40.397  2.9540  -0.7788467     4.190214 
1 1 1 -6  10  34 o 7.8069  2.4147  -2.5403   9.7061    1.4145    13.319    -7.0188   14.174    8.2427  3.4901  7.3710  3.3379  0.8716974      4.829358 
1 1 1 -6  10  35 o 20.789  2.7018  63.441    14.414    72.571    20.140    53.852    20.639    22.513  3.4499  19.064  4.1590  3.449450       5.403571 
1 1 1 -6  10  36 o 12.013  2.9968  18.630    12.341    25.976    17.381    11.163    17.524    13.376  4.2861  10.651  4.1897  2.724987       5.993642 
1 1 1 -6  10  37 o 54.867  2.2258  425.645   32.472    460.132   45.836    390.897   46.009    57.237  3.0003  52.498  3.2885  4.738117       4.451533 
1 1 1 -6  10  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  10  39 o 22.250  2.8277  74.749    16.231    75.766    23.123    73.762    22.789    22.401  4.0005  22.098  3.9974  0.3033009      5.655396 
1 1 1 -6  10  40 f 27.464  2.6450  114.208   18.705    130.598   26.315    97.470    26.592    29.777  3.3580  25.152  4.0876  4.625372       5.290095 
1 1 1 -6  11  1  o 220.205 4.2358  6501.55   249.831   6456.34   353.059   6546.89   353.572   219.438 6.0068  220.973 5.9738  -1.534851      8.471629 
1 1 1 -6  11  2  o 484.151 8.9422  31560.34  1159.57   31858.74  1640.09   31262.09  1639.68   486.451 12.587  481.851 12.705  4.600311       17.88433 
1 1 1 -6  11  3  o 428.627 8.0060  24716.02  919.136   24578.71  1299.90   24853.31  1299.81   427.431 11.354  429.823 11.290  -2.391907      16.01204 
1 1 1 -6  11  4  o 164.631 3.3488  3633.10   147.645   3713.57   209.129   3553.12   208.476   166.450 4.6907  162.812 4.7806  3.638306       6.697542 
1 1 1 -6  11  5  o 365.592 6.8275  17972.19  668.508   17697.72  945.442   18246.63  945.384   362.789 9.7295  368.395 9.5809  -5.605591      13.65492 
1 1 1 -6  11  6  o 212.995 4.1240  6086.06   235.274   6102.54   332.939   6069.61   332.518   213.283 5.8280  212.707 5.8364  0.5767212      8.247966 
1 1 1 -6  11  7  f 262.574 5.0298  9264.58   353.560   9621.51   500.465   8908.95   499.556   267.639 6.9813  257.509 7.2427  10.13028       10.05959 
1 1 1 -6  11  8  o 66.793  1.9457  597.830   34.808    595.197   49.342    600.438   49.112    66.646  2.7641  66.940  2.7392  -0.2931366     3.891408 
1 1 1 -6  11  9  o 321.544 6.0560  13939.96  521.556   13808.70  737.596   14071.23  737.588   320.020 8.6050  323.068 8.5237  -3.048248      12.11201 
1 1 1 -6  11  10 o 210.403 4.0848  5950.55   230.203   5953.95   325.596   5947.16   325.517   210.463 5.7758  210.343 5.7777  0.1202240      8.169584 
1 1 1 -6  11  11 o 294.219 5.5535  11684.50  437.632   11565.58  618.763   11803.53  619.046   292.709 7.8922  295.728 7.8152  -3.018372      11.10697 
1 1 1 -6  11  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  11  13 o 88.320  2.1994  1046.36   52.024    1066.46   73.544    1026.23   73.601    89.171  3.0792  87.470  3.1415  1.700745       4.398893 
1 1 1 -6  11  14 o 62.263  1.9373  519.935   32.299    532.992   45.646    506.841   45.711    63.047  2.7030  61.479  2.7759  1.568169       3.874505 
1 1 1 -6  11  15 o 215.215 4.2188  6242.06   243.173   6149.78   343.608   6334.66   344.189   213.613 6.0055  216.818 5.9267  -3.204895      8.437501 
1 1 1 -6  11  16 o 209.204 4.0496  5897.87   226.814   5679.74   320.313   6117.23   321.215   205.302 5.8249  213.106 5.6274  -7.804016      8.099255 
1 1 1 -6  11  17 o 134.979 2.9225  2447.97   105.640   2390.36   149.100   2506.04   149.698   133.380 4.1735  136.577 4.0921  -3.197800      5.844951 
1 1 1 -6  11  18 o 65.417  2.0085  574.228   35.180    590.502   49.655    557.827   49.848    66.349  2.7941  64.484  2.8861  1.865273       4.017021 
1 1 1 -6  11  19 o 32.663  1.9530  144.161   16.902    134.854   23.719    153.762   24.091    31.577  2.8347  33.750  2.6872  -2.172911      3.905967 
1 1 1 -6  11  20 o 134.956 2.9144  2450.63   105.325   2384.58   148.562   2517.38   149.344   133.121 4.1665  136.791 4.0761  -3.670410      5.828721 
1 1 1 -6  11  21 o 136.311 2.9860  2503.54   109.022   2498.32   153.857   2508.80   154.505   136.170 4.2184  136.453 4.2274  -0.2833710     5.972064 
1 1 1 -6  11  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  11  23 o 28.581  1.9850  110.905   14.999    108.896   21.154    112.937   21.270    28.316  2.8269  28.847  2.7875  -0.5312538     3.970092 
1 1 1 -6  11  24 o 50.428  1.9200  343.185   25.826    329.093   36.264    357.687   36.788    49.369  2.7534  51.487  2.6768  -2.117577      3.840092 
1 1 1 -6  11  25 o 31.069  1.9589  131.425   15.967    109.982   22.261    154.148   22.915    28.399  2.9704  33.738  2.5547  -5.338596      3.917891 
1 1 1 -6  11  26 o 94.732  2.3637  1216.28   59.945    1257.43   84.606    1174.81   84.945    96.362  3.2780  93.101  3.4064  3.260727       4.727446 
1 1 1 -6  11  27 o 28.934  2.0226  114.250   15.458    108.679   21.622    120.075   22.109    28.198  2.9044  29.671  2.8157  -1.472979      4.045200 
1 1 1 -6  11  28 o 49.155  1.9846  328.273   25.984    307.117   36.559    349.870   36.937    47.530  2.8854  50.780  2.7257  -3.250751      3.969217 
1 1 1 -6  11  29 o 15.987  2.5998  36.099    11.434    18.307    15.794    55.689    16.574    11.984  4.0954  19.990  3.2036  -8.006770      5.199543 
1 1 1 -6  11  30 o 21.128  3.5778  62.796    19.524    0.0000    0.0000    62.796    19.524    ?       ?       21.128  3.5778  ?              ?        
1 1 1 -6  11  31 o 34.826  2.1145  168.650   19.176    201.740   27.055    135.241   27.185    38.420  2.6452  31.231  3.2997  7.188231       4.229022 
1 1 1 -6  11  32 o 29.992  2.2016  124.933   17.417    126.409   24.304    123.374   24.973    30.198  3.0463  29.785  3.1793  0.4125710      4.403222 
1 1 1 -6  11  33 o 19.171  2.7892  53.372    13.838    51.964    19.196    54.896    19.965    18.910  3.9186  19.431  3.9702  -0.5207024     5.578367 
1 1 1 -6  11  34 o 38.319  2.1241  204.993   21.605    212.093   30.320    197.668   30.795    39.039  2.9207  37.600  3.0850  1.439342       4.248291 
1 1 1 -6  11  35 f 19.171  2.7336  54.143    13.552    52.430    19.076    55.887    19.256    18.841  3.9083  19.502  3.8230  -0.6613445     5.467176 
1 1 1 -6  11  36 o 11.784  2.9642  18.468    11.768    18.123    16.479    18.826    16.810    11.699  4.1700  11.870  4.2138  -0.1717768     5.928368 
1 1 1 -6  11  37 o 35.910  3.3500  184.513   31.849    0.0000    0.0000    184.513   31.849    ?       ?       35.910  3.3500  ?              ?        
1 1 1 -6  11  38 o 7.7143  2.4864  -8.3952   11.480    -2.9426   16.009    -14.1668  16.471    8.2242  3.6484  7.2044  3.3790  1.019783       4.972724 
1 1 1 -6  11  39 o 12.733  3.1565  24.077    13.354    21.425    19.462    26.436    18.357    12.305  4.5119  13.160  4.4155  -0.8549414     6.312994 
1 1 1 -6  12  1  o 29.628  1.7532  118.541   13.757    126.981   19.484    110.150   19.428    30.696  2.3886  28.560  2.5670  2.135944       3.506424 
1 1 1 -6  12  2  o 399.777 7.4573  21502.30  798.473   21786.35  1129.38   21218.43  1129.05   402.428 10.478  397.125 10.614  5.303162       14.91461 
1 1 1 -6  12  3  o 329.900 6.1298  14625.24  541.642   14687.97  766.135   14562.56  765.860   330.610 8.6517  329.191 8.6859  1.418884       12.25952 
1 1 1 -6  12  4  o 273.331 5.1732  10035.37  378.621   9750.90   535.437   10319.87  535.466   269.445 7.4191  277.216 7.2115  -7.771515      10.34640 
1 1 1 -6  12  5  o 323.285 6.1281  14061.74  530.625   14191.94  750.791   13931.79  750.043   324.786 8.6304  321.783 8.7023  3.002838       12.25619 
1 1 1 -6  12  6  o 186.073 3.6704  4647.14   182.870   4513.05   258.708   4781.05   258.527   183.384 5.2669  188.762 5.1133  -5.377563      7.340754 
1 1 1 -6  12  7  o 98.269  2.3021  1294.48   60.589    1318.34   85.896    1270.85   85.477    99.171  3.2337  97.367  3.2775  1.803802       4.604230 
1 1 1 -6  12  8  o 83.520  2.1281  935.079   47.603    951.829   67.477    918.484   67.164    84.265  2.9897  82.774  3.0294  1.490189       4.256201 
1 1 1 -6  12  9  o 73.012  1.9881  714.595   38.875    729.390   55.133    699.965   54.823    73.764  2.7905  72.260  2.8325  1.504257       3.976177 
1 1 1 -6  12  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  12  11 o 162.308 3.3236  3539.78   144.486   3570.67   204.421   3508.95   204.247   163.017 4.6817  161.598 4.7188  1.419159       6.647203 
1 1 1 -6  12  12 o 141.053 2.9974  2672.45   113.231   2722.63   160.189   2622.33   160.078   142.380 4.2004  139.725 4.2773  2.654327       5.994887 
1 1 1 -6  12  13 o 136.403 2.9058  2499.25   106.140   2434.81   149.968   2563.92   150.240   134.636 4.1586  138.169 4.0596  -3.532974      5.811580 
1 1 1 -6  12  14 o 40.466  1.8481  220.518   19.916    213.027   28.105    228.073   28.225    39.770  2.6537  41.163  2.5729  -1.393227      3.696206 
1 1 1 -6  12  15 o 188.017 3.7578  4760.11   189.147   4579.95   267.135   4941.25   267.855   184.431 5.4076  191.603 5.2193  -7.171677      7.515535 
1 1 1 -6  12  16 o 95.064  2.3101  1212.80   58.820    1216.12   82.966    1209.44   83.404    95.196  3.2538  94.933  3.2801  0.2634735      4.620199 
1 1 1 -6  12  17 o 109.420 2.5272  1607.69   74.067    1603.33   104.510   1612.09   104.985   109.271 3.5708  109.569 3.5773  -0.2976990     5.054442 
1 1 1 -6  12  18 o 86.089  2.2380  994.988   51.575    950.942   72.600    1039.86   73.281    84.162  3.2206  88.016  3.1084  -3.854370      4.475970 
1 1 1 -6  12  19 o 67.638  2.0473  614.234   37.084    623.875   52.301    604.485   52.590    68.174  2.8642  67.102  2.9260  1.071144       4.094529 
1 1 1 -6  12  20 o 79.297  2.2016  845.167   46.750    861.618   65.890    828.491   66.342    80.078  3.0720  78.516  3.1546  1.561493       4.403237 
1 1 1 -6  12  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  12  22 o 113.945 2.6473  1751.99   80.794    1748.27   113.915   1755.75   114.608   113.825 3.7364  114.065 3.7512  -0.2400208     5.294558 
1 1 1 -6  12  23 o 95.455  2.3702  1230.82   60.522    1299.64   85.459    1161.57   85.725    98.156  3.2505  92.754  3.4505  5.402641       4.740461 
1 1 1 -6  12  24 f 56.980  1.9820  437.671   30.246    431.553   42.475    443.966   43.082    56.576  2.8029  57.384  2.8029  -0.8078423     3.963923 
1 1 1 -6  12  25 o 37.220  1.9346  188.353   19.099    202.287   26.884    174.156   27.137    38.641  2.6128  35.799  2.8538  2.842102       3.869240 
1 1 1 -6  12  26 o 48.605  1.9637  320.386   25.456    324.791   35.925    315.944   36.075    48.947  2.7514  48.263  2.8027  0.6842766      3.927488 
1 1 1 -6  12  27 o 58.483  2.0148  463.253   31.555    470.383   44.446    456.005   44.807    58.944  2.8152  58.021  2.8832  0.9231453      4.029663 
1 1 1 -6  12  28 o 55.796  2.0458  423.535   30.468    418.465   42.896    428.697   43.282    55.457  2.8979  56.136  2.8884  -0.6785698     4.091509 
1 1 1 -6  12  29 o 11.752  2.8517  17.456    10.895    20.633    15.495    14.350    15.323    12.413  4.0528  11.092  4.0131  1.321157       5.703463 
1 1 1 -6  12  30 o 41.451  2.0465  235.389   22.568    225.642   31.568    245.578   32.276    40.560  2.9254  42.343  2.8627  -1.782757      4.093019 
1 1 1 -6  12  31 o 53.552  2.0830  394.167   29.762    394.153   41.921    394.181   42.261    53.557  2.9335  53.547  2.9580  0.9552002E-02  4.165943 
1 1 1 -6  12  32 o 14.115  2.9734  28.649    12.169    24.223    17.186    33.098    17.233    13.171  4.2664  15.059  4.1427  -1.887906      5.946742 
1 1 1 -6  12  33 o 47.619  2.1130  315.094   26.780    294.424   37.370    336.915   38.395    45.971  3.0523  49.266  2.9227  -3.295246      4.225966 
1 1 1 -6  12  34 o 14.253  2.8920  29.122    12.332    43.452    17.739    15.719    17.155    17.116  3.9496  11.390  4.2255  5.725906       5.783917 
1 1 1 -6  12  35 o 34.876  2.2425  172.685   20.503    146.022   28.762    200.231   29.234    31.966  3.4120  37.787  2.9109  -5.821388      4.484979 
1 1 1 -6  12  36 o 9.3780  2.7712  4.5534    11.636    5.3269    16.233    3.7358    16.688    9.4421  3.9150  9.3139  3.9231  0.1281576      5.542369 
1 1 1 -6  12  37 o 16.200  3.2065  40.980    14.666    48.407    20.461    33.134    21.031    17.705  4.3467  14.695  4.7153  3.010448       6.413091 
1 1 1 -6  12  38 o 13.876  3.2065  29.663    13.783    34.064    19.782    25.510    19.215    14.696  4.5546  13.055  4.5147  1.641202       6.412989 
1 1 1 -6  13  1  f 337.882 6.3422  15355.68  573.830   15755.81  811.565   14955.66  811.471   342.303 8.8516  333.461 9.0853  8.841187       12.68440 
1 1 1 -6  13  2  o 403.148 7.5602  21912.72  816.328   21644.14  1154.18   22181.57  1154.74   400.660 10.755  405.636 10.628  -4.975677      15.12045 
1 1 1 -6  13  3  o 192.379 3.7960  4967.38   195.519   4798.14   276.393   5136.91   276.618   189.092 5.4571  195.666 5.2781  -6.574142      7.592008 
1 1 1 -6  13  4  o 81.158  2.0923  882.768   45.478    873.312   64.440    892.151   64.193    80.724  2.9803  81.591  2.9373  -0.8668594     4.184505 
1 1 1 -6  13  5  o 189.160 3.7060  4805.23   187.704   4662.50   265.585   4947.66   265.322   186.346 5.3210  191.975 5.1599  -5.628632      7.411996 
1 1 1 -6  13  6  o 185.194 3.5986  4605.79   178.497   4653.88   252.746   4557.93   252.120   186.161 5.0688  184.228 5.1093  1.933182       7.197103 
1 1 1 -6  13  7  o 166.608 3.3340  3727.59   148.759   3805.70   210.673   3649.93   210.083   168.352 4.6720  164.863 4.7575  3.489334       6.667924 
1 1 1 -6  13  8  o 186.257 3.7210  4663.78   185.600   4781.34   262.882   4546.94   262.075   188.605 5.2038  183.909 5.3203  4.696487       7.442083 
1 1 1 -6  13  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  13  10 o 174.507 3.5137  4094.23   164.234   4112.99   232.445   4075.52   232.079   174.907 4.9616  174.107 4.9766  0.8003998      7.027391 
1 1 1 -6  13  11 o 285.837 5.4357  11053.50  415.961   10656.38  587.998   11451.32  588.517   280.647 7.8222  291.028 7.5498  -10.38052      10.87132 
1 1 1 -6  13  12 o 103.506 2.4230  1437.77   67.174    1435.92   95.060    1439.62   94.938    103.439 3.4310  103.573 3.4222  -0.1339874     4.845948 
1 1 1 -6  13  13 f 132.532 2.8562  2359.34   101.389   2341.14   143.351   2377.57   143.419   132.018 4.0539  133.045 4.0246  -1.026199      5.712420 
1 1 1 -6  13  14 o 131.561 2.8495  2325.31   100.393   2377.58   142.020   2273.10   141.934   133.044 3.9854  130.079 4.0737  2.964462       5.698951 
1 1 1 -6  13  15 o 128.398 2.8057  2214.77   96.483    2182.63   136.311   2247.05   136.586   127.462 3.9926  129.334 3.9428  -1.872314      5.611309 
1 1 1 -6  13  16 o 66.923  2.0111  600.847   36.048    595.088   50.927    606.630   51.031    66.601  2.8548  67.244  2.8333  -0.6436157     4.022125 
1 1 1 -6  13  17 o 141.197 3.0039  2682.12   113.592   2724.31   160.516   2639.80   160.770   142.314 4.2109  140.079 4.2849  2.235489       6.007728 
1 1 1 -6  13  18 o 153.293 3.2265  3166.82   132.466   3213.48   187.170   3119.98   187.502   154.432 4.5249  152.153 4.6008  2.278915       6.453084 
1 1 1 -6  13  19 o 49.437  1.9032  329.115   25.104    322.792   35.326    335.566   35.682    48.955  2.7046  49.920  2.6784  -0.9649010     3.806405 
1 1 1 -6  13  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  13  21 o 65.835  2.0538  583.232   36.184    551.443   50.842    615.860   51.509    64.011  2.9654  67.660  2.8423  -3.648926      4.107560 
1 1 1 -6  13  22 o 32.394  1.9426  142.262   16.691    138.018   23.467    146.606   23.746    31.897  2.7743  32.890  2.7199  -0.9924011     3.885157 
1 1 1 -6  13  23 o 32.351  1.9436  142.046   16.673    136.164   23.387    148.125   23.776    31.659  2.7864  33.043  2.7103  -1.383385      3.887136 
1 1 1 -6  13  24 o 37.895  1.9345  195.208   19.456    207.795   27.318    182.253   27.715    39.164  2.6194  36.627  2.8474  2.536995       3.868962 
1 1 1 -6  13  25 o 83.487  2.2723  945.517   50.794    970.221   71.584    920.467   72.085    84.603  3.1589  82.370  3.2673  2.232277       4.544653 
1 1 1 -6  13  26 o 44.390  1.9758  267.761   23.371    269.287   32.932    266.213   33.171    44.522  2.7754  44.257  2.8129  0.2645187      3.951591 
1 1 1 -6  13  27 o 43.307  1.9944  255.293   23.004    251.094   32.153    259.696   32.925    42.943  2.8109  43.671  2.8300  -0.7275543     3.988773 
1 1 1 -6  13  28 o 41.785  2.0437  238.747   22.639    213.028   31.708    265.493   32.335    39.438  3.0248  44.132  2.7491  -4.694477      4.087377 
1 1 1 -6  13  29 o 31.221  2.1449  134.912   17.612    147.749   24.706    121.649   25.114    32.805  2.8398  29.637  3.2152  3.167673       4.289714 
1 1 1 -6  13  30 o 35.255  2.2021  173.799   20.243    204.120   28.401    142.491   28.860    38.554  2.7687  31.956  3.4251  6.597851       4.404249 
1 1 1 -6  13  31 o 47.114  2.0892  306.862   26.126    274.042   36.570    341.071   37.337    44.463  3.0899  49.765  2.8126  -5.302155      4.178338 
1 1 1 -6  13  32 o 42.526  2.1213  251.685   23.997    252.742   33.477    250.567   34.415    42.645  2.9490  42.407  3.0503  0.2382431      4.242692 
1 1 1 -6  13  33 o 7.1301  2.2828  -8.5625   9.6144    -16.2454  13.306    -0.1699   13.907    6.1380  2.9253  8.1223  3.5053  -1.984254      4.565617 
1 1 1 -6  13  34 o 18.138  2.9635  49.618    14.159    42.865    20.133    56.228    19.918    16.804  4.4154  19.472  3.9539  -2.667496      5.926978 
1 1 1 -6  13  35 o 19.162  2.9815  55.448    14.885    56.613    20.829    54.231    21.281    19.411  4.1330  18.913  4.2984  0.4979897      5.963050 
1 1 1 -6  13  36 o 25.168  2.7849  95.083    17.826    114.862   25.171    75.185    25.247    28.173  3.4048  22.164  4.4079  6.008190       5.569750 
1 1 1 -6  13  37 o 14.187  3.1357  30.743    13.756    41.708    19.475    19.827    19.432    16.280  4.3731  12.094  4.4951  4.186550       6.271364 
1 1 1 -6  14  1  o 302.972 5.7693  12357.27  468.173   12444.85  661.865   12269.56  662.328   304.052 8.1270  301.891 8.1909  2.161194       11.53864 
1 1 1 -6  14  2  o 154.632 3.1640  3207.95   131.042   3230.72   185.221   3185.14   185.423   155.182 4.4562  154.081 4.4929  1.100769       6.327981 
1 1 1 -6  14  3  o 117.910 2.6555  1864.69   83.855    1899.54   118.619   1829.87   118.559   119.013 3.7211  116.808 3.7894  2.206039       5.310952 
1 1 1 -6  14  4  o 159.679 3.2685  3423.40   139.749   3528.48   197.893   3318.87   197.378   162.129 4.5570  157.229 4.6868  4.899918       6.537001 
1 1 1 -6  14  5  o 310.139 5.8948  12992.55  489.684   12985.23  692.810   12999.85  692.225   310.050 8.3424  310.228 8.3306  -0.1782532     11.78964 
1 1 1 -6  14  6  o 73.384  2.0188  722.075   39.678    716.246   56.331    727.815   55.898    73.090  2.8774  73.679  2.8325  -0.5891876     4.037617 
1 1 1 -6  14  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  14  8  o 98.738  2.3579  1307.89   62.354    1330.25   88.441    1285.79   87.924    99.577  3.3159  97.898  3.3531  1.679977       4.715797 
1 1 1 -6  14  9  o 83.708  2.1534  939.824   48.280    954.175   68.516    925.670   68.042    84.344  3.0328  83.073  3.0579  1.270447       4.306867 
1 1 1 -6  14  10 o 155.806 3.2250  3262.88   134.586   3286.10   190.567   3239.76   190.100   156.361 4.5502  155.252 4.5715  1.109009       6.450003 
1 1 1 -6  14  11 o 98.456  2.3833  1300.97   62.844    1282.04   88.986    1319.82   88.765    97.739  3.3991  99.172  3.3417  -1.433075      4.766609 
1 1 1 -6  14  12 o 66.232  1.9968  588.341   35.422    595.502   50.220    581.251   49.971    66.634  2.8138  65.831  2.8340  0.8028107      3.993605 
1 1 1 -6  14  13 f 42.963  1.8786  248.518   21.499    259.718   30.522    237.488   30.288    43.932  2.6055  41.994  2.7071  1.937733       3.757274 
1 1 1 -6  14  14 o 269.458 5.1528  9829.61   371.895   9800.97   525.837   9858.28   526.041   269.062 7.2964  269.855 7.2778  -0.7929382     10.30554 
1 1 1 -6  14  15 o 91.438  2.2973  1122.44   56.261    1135.68   79.608    1109.24   79.522    91.978  3.2313  90.898  3.2662  1.079483       4.594528 
1 1 1 -6  14  16 o 141.434 3.0529  2692.19   115.644   2649.74   163.395   2734.79   163.695   140.312 4.3476  142.556 4.2871  -2.243744      6.105834 
1 1 1 -6  14  17 o 22.205  2.1712  68.097    12.360    81.212    17.499    55.043    17.459    24.447  2.7185  19.963  3.3861  4.483318       4.342349 
1 1 1 -6  14  18 o 149.567 3.1660  3019.30   126.828   3046.82   179.271   2991.72   179.453   150.255 4.4544  148.879 4.5002  1.376434       6.331944 
1 1 1 -6  14  19 o 63.425  2.4058  543.299   39.023    544.830   48.703    540.552   65.218    63.659  2.8563  63.190  3.8719  0.4687614      4.811505 
1 1 1 -6  14  20 o 57.352  1.9687  443.450   30.159    463.115   42.489    423.483   42.815    58.679  2.7034  56.025  2.8627  2.653530       3.937391 
1 1 1 -6  14  21 o 34.209  1.9486  158.595   17.699    154.116   24.899    163.170   25.164    33.714  2.7822  34.705  2.7291  -0.9904633     3.897271 
1 1 1 -6  14  22 o 48.078  1.9430  312.667   24.910    302.623   35.083    322.879   35.374    47.291  2.7819  48.865  2.7134  -1.574230      3.886068 
1 1 1 -6  14  23 o 38.865  1.9152  204.833   19.808    204.075   27.713    205.624   28.323    38.796  2.6834  38.935  2.7332  -0.1388092     3.830312 
1 1 1 -6  14  24 f 74.941  2.1765  761.121   43.677    774.562   61.455    747.401   62.088    75.622  3.0340  74.260  3.1215  1.362068       4.353072 
1 1 1 -6  14  25 o 48.384  1.9833  317.946   25.588    315.949   35.816    320.028   36.570    48.234  2.7841  48.535  2.8253  -0.3013229     3.966546 
1 1 1 -6  14  26 o 24.054  2.2715  80.054    14.264    77.566    19.978    82.640    20.373    23.660  3.2374  24.447  3.1871  -0.7866325     4.542931 
1 1 1 -6  14  27 o 41.004  2.9162  229.867   31.820    0.0000    0.0000    229.867   31.820    ?       ?       41.004  2.9162  ?              ?        
1 1 1 -6  14  28 o 15.498  2.7920  34.534    11.619    34.461    16.224    34.611    16.649    15.484  3.9109  15.512  3.9856  -0.2846146E-01 5.583902 
1 1 1 -6  14  29 o 14.008  2.7781  26.867    11.760    11.700    16.358    43.088    16.917    10.713  4.0927  17.302  3.7579  -6.589504      5.556239 
1 1 1 -6  14  30 o 21.773  2.6509  69.632    14.555    89.584    20.383    48.876    20.790    25.318  3.0685  18.228  4.3236  7.089872       5.301846 
1 1 1 -6  14  31 o 18.892  2.7609  52.338    13.514    59.427    19.105    45.240    19.118    20.290  3.6494  17.493  4.1440  2.797333       5.521855 
1 1 1 -6  14  32 o 14.742  2.8640  31.944    11.872    23.927    16.513    40.521    17.080    12.941  4.1809  16.544  3.9153  -3.602818      5.727961 
1 1 1 -6  14  33 o 19.990  2.8282  60.126    14.590    75.306    20.513    44.584    20.756    22.854  3.4592  17.126  4.4752  5.728270       5.656313 
1 1 1 -6  14  34 o 32.415  2.3337  149.859   19.976    151.374   28.121    148.315   28.381    32.603  3.2641  32.227  3.3361  0.3761978      4.667335 
1 1 1 -6  14  35 o 6.9170  2.2863  -12.4941  10.519    -14.0127  15.139    -11.0765  14.627    6.8554  3.2230  6.9787  3.2436  -0.1233869     4.572608 
1 1 1 -6  14  36 o 10.399  2.8861  10.838    12.068    3.4949    17.243    17.888    16.896    9.2836  3.9525  11.514  4.2066  -2.230079      5.772151 
1 1 1 -6  15  1  o 291.625 5.5624  11469.70  434.457   11309.33  613.937   11630.57  614.893   289.570 7.9155  293.679 7.8169  -4.109375      11.12477 
1 1 1 -6  15  2  o 205.349 4.0500  5670.45   222.738   5759.97   314.900   5580.81   315.099   206.978 5.6801  203.720 5.7746  3.257843       8.100017 
1 1 1 -6  15  3  o 289.388 5.5009  11309.78  426.130   11767.08  602.989   10853.54  602.289   295.280 7.6241  283.497 7.9317  11.78308       11.00175 
1 1 1 -6  15  4  o 96.241  3.3290  1250.43   85.331    1325.77   118.331   1168.80   123.168   99.355  4.4465  93.126  4.9557  6.229324       6.658076 
1 1 1 -6  15  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  15  6  o 310.277 5.9240  13038.15  492.323   13095.63  696.667   12980.80  695.833   310.966 8.3642  309.589 8.3913  1.377533       11.84795 
1 1 1 -6  15  7  o 197.070 3.9045  5228.81   206.046   5099.65   291.585   5357.63   291.200   194.626 5.5934  199.514 5.4491  -4.888641      7.808924 
1 1 1 -6  15  8  o 205.151 4.0388  5669.91   221.862   5511.04   313.886   5828.52   313.634   202.261 5.7939  208.040 5.6284  -5.778702      8.077654 
1 1 1 -6  15  9  o 106.462 2.4757  1521.34   70.594    1511.06   100.055   1531.53   99.615    106.102 3.5207  106.821 3.4816  -0.7186508     4.951446 
1 1 1 -6  15  10 o 196.244 3.8785  5186.45   203.867   5209.96   288.533   5163.01   288.089   196.689 5.4768  195.798 5.4933  0.8913879      7.757002 
1 1 1 -6  15  11 o 240.574 4.6582  7815.91   300.082   8031.86   424.783   7600.77   423.979   243.917 6.5018  237.230 6.6725  6.686462       9.316413 
1 1 1 -6  15  12 o 132.993 2.8481  2376.41   101.452   2368.51   143.628   2384.26   143.322   132.771 4.0387  133.214 4.0168  -0.4430237     5.696117 
1 1 1 -6  15  13 f 200.738 3.9099  5432.64   210.207   5350.57   297.281   5514.71   297.274   199.212 5.5714  202.265 5.4872  -3.052689      7.819793 
1 1 1 -6  15  14 o 122.390 2.7499  2013.98   90.112    1948.13   127.403   2079.90   127.471   120.380 3.9513  124.399 3.8257  -4.019394      5.499839 
1 1 1 -6  15  15 o 39.137  1.9067  207.111   19.783    186.851   28.037    227.199   27.918    37.202  2.8350  41.071  2.5504  -3.869068      3.813388 
1 1 1 -6  15  16 o 75.381  2.1208  763.368   42.821    760.684   60.510    766.061   60.605    75.248  3.0022  75.514  2.9964  -0.2659454     4.241632 
1 1 1 -6  15  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  15  18 o 53.170  1.9318  380.909   27.417    357.800   38.741    404.096   38.806    51.507  2.8188  54.833  2.6422  -3.325180      3.863540 
1 1 1 -6  15  19 o 47.710  1.9000  307.187   24.181    306.675   34.056    307.707   34.340    47.671  2.6780  47.749  2.6961  -0.7801819E-01 3.800076 
1 1 1 -6  15  20 o 63.529  2.0407  544.042   34.719    531.403   49.008    556.776   49.192    62.784  2.9142  64.274  2.8574  -1.489536      4.081358 
1 1 1 -6  15  21 o 59.882  2.0063  483.855   32.164    464.123   45.232    504.038   45.747    58.640  2.8798  61.124  2.7942  -2.483459      4.012585 
1 1 1 -6  15  22 o 61.018  2.0425  503.238   33.377    492.555   47.073    514.039   47.333    60.363  2.9115  61.674  2.8653  -1.311424      4.084952 
1 1 1 -6  15  23 o 35.147  1.9624  168.018   18.306    158.854   25.676    177.492   26.107    34.155  2.8322  36.138  2.7170  -1.983448      3.924711 
1 1 1 -6  15  24 o 42.548  1.9997  246.451   22.639    253.951   31.708    238.653   32.333    43.229  2.7528  41.868  2.9011  1.361351       3.999300 
1 1 1 -6  15  25 o 16.550  2.6269  38.909    11.353    38.203    15.757    39.671    16.373    16.398  3.6782  16.703  3.7514  -0.3051147     5.253782 
1 1 1 -6  15  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  15  27 o 30.641  2.1583  129.478   17.221    104.298   23.719    157.547   25.043    27.388  3.2997  33.894  2.7831  -6.505896      4.316680 
1 1 1 -6  15  28 o 40.373  2.1031  225.513   22.468    246.026   31.456    204.148   32.103    42.332  2.7900  38.414  3.1478  3.918011       4.206246 
1 1 1 -6  15  29 o 6.3870  2.0904  -10.8971  8.6079    -4.4496   12.290    -17.1056  12.060    7.0996  3.1700  5.6744  2.7259  1.425187       4.180878 
1 1 1 -6  15  30 o 12.153  2.8698  20.250    10.972    19.058    15.342    21.497    15.699    11.879  4.0365  12.428  4.0804  -0.5486240     5.739557 
1 1 1 -6  15  31 o 9.5577  2.3959  -1.6091   10.518    26.471    14.839    -29.9654  14.911    13.445  3.8953  5.6709  2.7908  7.773598       4.791883 
1 1 1 -6  15  32 o 6.5459  2.1593  -11.5192  9.3263    -8.6320   13.313    -14.3017  13.069    6.8694  3.1576  6.2224  2.9463  0.6469755      4.318699 
1 1 1 -6  15  33 o 8.7616  2.6007  0.3815    10.920    -10.3010  15.534    10.818    15.354    7.3510  3.3906  10.172  3.9444  -2.821193      5.201405 
1 1 1 -6  15  34 o 25.999  2.8009  97.292    18.604    81.647    23.987    120.913   29.474    23.410  3.9671  28.588  3.9550  -5.177830      5.601789 
1 1 1 -6  15  35 o 9.0166  2.6831  3.7484    11.101    0.0762    15.629    7.4873    15.770    8.4699  3.6855  9.5634  3.9005  -1.093433      5.366253 
1 1 1 -6  16  1  o 139.038 2.9300  2595.44   109.105   2544.95   153.894   2646.48   154.705   137.676 4.1732  140.400 4.1138  -2.724487      5.860003 
1 1 1 -6  16  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  16  3  o 89.065  4.6425  1068.90   110.368   1068.90   110.368   0.0000    0.0000    89.065  4.6425  ?       ?       ?              ?        
1 1 1 -6  16  4  o 39.044  1.7799  205.221   18.512    200.788   26.117    209.696   26.243    38.616  2.5392  39.471  2.4951  -0.8544540     3.559875 
1 1 1 -6  16  5  o 162.903 3.3532  3568.92   146.245   3449.43   206.935   3688.14   206.708   160.167 4.8236  165.639 4.6592  -5.471466      6.706329 
1 1 1 -6  16  6  o 215.072 4.2234  6234.30   243.286   6306.86   344.475   6162.08   343.642   216.327 5.9451  213.817 6.0003  2.509857       8.446788 
1 1 1 -6  16  7  o 281.568 5.3671  10729.97  404.772   10724.96  572.794   10734.97  572.075   281.499 7.5968  281.636 7.5836  -0.1365662     10.73419 
1 1 1 -6  16  8  o 167.378 3.3968  3768.22   152.283   3753.93   215.623   3782.44   215.098   167.059 4.8188  167.697 4.7888  -0.6376495     6.793586 
1 1 1 -6  16  9  o 203.790 4.0481  5596.77   220.964   5585.27   312.759   5608.23   312.223   203.579 5.7357  204.001 5.7140  -0.4227295     8.096220 
1 1 1 -6  16  10 f 95.409  2.3730  1221.80   60.642    1224.76   85.992    1218.88   85.531    95.523  3.3609  95.294  3.3510  0.2290649      4.746019 
1 1 1 -6  16  11 o 134.094 2.9039  2416.71   104.297   2433.82   147.748   2399.72   147.249   134.568 4.0991  133.620 4.1142  0.9478149      5.807734 
1 1 1 -6  16  12 o 105.606 2.4358  1497.86   68.896    1479.71   97.571    1515.91   97.295    104.965 3.4705  106.246 3.4189  -1.280640      4.871668 
1 1 1 -6  16  13 o 153.284 3.2070  3164.19   131.661   3125.66   186.249   3202.67   186.144   152.346 4.5643  154.222 4.5062  -1.876160      6.413960 
1 1 1 -6  16  14 o 87.307  2.2502  1024.14   52.619    1038.67   74.546    1009.72   74.283    87.926  3.1653  86.688  3.1992  1.237251       4.500463 
1 1 1 -6  16  15 o 55.774  1.9682  417.832   29.402    418.098   41.630    417.567   41.532    55.791  2.7858  55.756  2.7810  0.3520966E-01  3.936348 
1 1 1 -6  16  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  16  17 o 41.014  1.9127  227.281   20.884    220.284   29.640    234.178   29.429    40.378  2.7570  41.651  2.6518  -1.272858      3.825326 
1 1 1 -6  16  18 o 35.888  1.8972  174.408   18.073    186.599   25.666    162.417   25.455    37.152  2.5955  34.625  2.7678  2.527161       3.794418 
1 1 1 -6  16  19 o 43.860  1.9299  260.225   22.560    258.831   31.932    261.615   31.877    43.741  2.7393  43.980  2.7194  -0.2386971     3.859886 
1 1 1 -6  16  20 o 71.147  2.1131  683.973   40.249    656.852   56.684    711.552   57.161    69.714  3.0356  72.580  2.9403  -2.865074      4.226157 
1 1 1 -6  16  21 o 62.747  2.0481  532.470   34.413    546.469   48.662    518.465   48.672    63.580  2.8574  61.914  2.9350  1.666340       4.096211 
1 1 1 -6  16  22 o 48.080  2.0007  313.909   25.630    298.949   36.123    329.076   36.372    46.908  2.8891  49.251  2.7684  -2.342999      4.001371 
1 1 1 -6  16  23 o 77.921  2.2199  824.827   46.328    810.044   65.323    839.788   65.715    77.212  3.1586  78.630  3.1202  -1.418404      4.439870 
1 1 1 -6  16  24 o 12.125  2.6518  19.908    9.6272    15.141    13.529    24.798    13.703    10.986  3.7889  13.263  3.7111  -2.277227      5.303608 
1 1 1 -6  16  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  16  26 o 49.497  2.0534  336.075   27.057    355.376   38.090    316.417   38.441    50.976  2.8004  48.017  3.0040  2.959274       4.106876 
1 1 1 -6  16  27 o 18.628  2.7382  50.046    13.226    42.956    18.510    57.441    18.904    17.193  4.0807  20.063  3.6522  -2.870415      5.476399 
1 1 1 -6  16  28 o 22.186  2.5457  70.584    14.505    80.411    20.465    60.665    20.561    23.886  3.2856  20.486  3.8892  3.400200       5.091333 
1 1 1 -6  16  29 o 38.068  2.1241  202.418   21.407    218.435   30.105    186.035   30.446    39.675  2.8519  36.460  3.1486  3.215511       4.248146 
1 1 1 -6  16  30 o 11.134  2.6715  13.206    10.879    29.160    15.443    -2.5111   15.328    14.064  3.9414  8.2028  3.6074  5.861500       5.343031 
1 1 1 -6  16  31 o 19.004  2.8861  53.757    14.269    46.699    19.824    61.344    20.556    17.611  4.2511  20.397  3.9048  -2.785431      5.772267 
1 1 1 -6  16  32 o 18.547  2.9156  52.250    14.514    74.292    20.778    31.244    20.284    22.622  3.5456  14.473  4.6294  8.149217       5.831206 
1 1 1 -6  16  33 o 19.230  3.0354  56.554    15.288    47.964    21.434    65.452    21.814    17.592  4.5235  20.868  4.0486  -3.276636      6.070711 
1 1 1 -6  16  34 o 15.145  3.2050  36.000    14.001    36.121    19.246    35.864    20.405    15.188  4.4467  15.103  4.6168  0.8504486E-01  6.409946 
1 1 1 -6  17  1  o 158.691 3.2659  3384.83   138.817   3367.33   195.929   3402.47   196.708   158.279 4.6215  159.104 4.6159  -0.8245850     6.531813 
1 1 1 -6  17  2  o 51.111  1.8572  351.217   25.338    352.979   35.727    349.434   35.940    51.242  2.6117  50.981  2.6410  0.2607269      3.714332 
1 1 1 -6  17  3  o 145.858 3.0832  2859.05   120.443   2812.65   170.192   2905.60   170.473   144.669 4.3921  147.048 4.3282  -2.378433      6.166375 
1 1 1 -6  17  4  o 126.947 2.7947  2164.46   95.026    2175.06   134.488   2153.89   134.285   127.258 3.9456  126.635 3.9590  0.6221313      5.589385 
1 1 1 -6  17  5  o 204.617 4.0485  5642.67   221.832   5505.06   313.806   5780.13   313.629   202.107 5.7968  207.127 5.6531  -5.019775      8.096985 
1 1 1 -6  17  6  o 190.487 3.7896  4887.20   193.291   4752.91   273.530   5021.16   273.181   187.857 5.4361  193.116 5.2813  -5.258911      7.579161 
1 1 1 -6  17  7  o 199.544 3.9698  5365.49   212.163   5299.15   300.323   5431.59   299.763   198.304 5.6542  200.784 5.5739  -2.480118      7.939672 
1 1 1 -6  17  8  o 180.350 3.6410  4379.17   175.885   4400.19   249.135   4358.28   248.345   180.783 5.1450  179.918 5.1534  0.8645630      7.282073 
1 1 1 -6  17  9  o 165.764 3.4571  3698.62   153.491   3727.30   217.406   3670.11   216.734   166.407 4.8777  165.122 4.9004  1.285294       6.914176 
1 1 1 -6  17  10 o 14.046  2.5995  27.488    9.9505    23.462    14.136    31.443    14.009    13.090  3.8046  15.001  3.5431  -1.910933      5.198950 
1 1 1 -6  17  11 o 116.951 2.6808  1838.65   83.975    1834.16   119.023   1843.10   118.495   116.808 3.8043  117.095 3.7781  -0.2872925     5.361575 
1 1 1 -6  17  12 o 96.164  2.3602  1242.96   60.776    1212.62   86.125    1273.05   85.777    94.990  3.3850  97.337  3.2901  -2.347275      4.720479 
1 1 1 -6  17  13 o 76.431  2.1491  785.535   43.952    746.276   62.239    824.588   62.076    74.518  3.1183  78.344  2.9582  -3.826027      4.298236 
1 1 1 -6  17  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  17  15 o 80.938  2.1965  881.733   47.616    871.244   67.432    892.164   67.246    80.455  3.1291  81.421  3.0835  -0.9661026     4.393086 
1 1 1 -6  17  16 o 23.310  2.1634  75.208    12.970    62.088    18.494    87.905    18.194    21.201  3.3696  25.419  2.7142  -4.218245      4.326795 
1 1 1 -6  17  17 o 65.402  2.0519  576.523   35.942    571.546   50.940    581.458   50.721    65.118  2.9206  65.686  2.8829  -0.5676193     4.103750 
1 1 1 -6  17  18 o 36.272  1.9625  178.598   18.898    169.607   26.794    187.499   26.660    35.345  2.8546  37.200  2.6939  -1.855263      3.925004 
1 1 1 -6  17  19 o 68.712  2.0949  638.176   38.554    645.104   54.580    631.276   54.467    69.087  2.9495  68.337  2.9757  0.7499695      4.189780 
1 1 1 -6  17  20 o 21.908  2.2463  66.349    12.787    69.764    18.227    63.040    17.943    22.488  3.1092  21.329  3.2429  1.159542       4.492641 
1 1 1 -6  17  21 o 16.773  2.5354  39.776    11.046    37.989    15.741    41.508    15.504    16.380  3.6779  17.166  3.4909  -0.7854557     5.070779 
1 1 1 -6  17  22 o 64.509  2.0836  564.720   35.995    552.352   50.890    577.103   50.920    63.793  2.9783  65.225  2.9146  -1.431934      4.167182 
1 1 1 -6  17  23 o 9.4924  2.5212  8.4289    9.0681    1.3215    13.372    14.481    12.339    8.3304  3.5104  10.654  3.6199  -2.324013      5.042488 
1 1 1 -6  17  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  17  25 o 47.527  2.0663  309.923   26.165    319.013   36.928    300.758   37.079    48.249  2.8704  46.805  2.9731  1.444244       4.132659 
1 1 1 -6  17  26 f 47.367  2.0961  309.277   26.440    319.625   37.211    298.726   37.576    48.200  2.8957  46.533  3.0314  1.667320       4.192174 
1 1 1 -6  17  27 o 21.378  2.6613  68.542    14.214    39.782    20.231    96.574    19.973    16.410  4.4780  26.346  2.8771  -9.936134      5.322588 
1 1 1 -6  17  28 o 36.013  2.1845  181.456   20.764    160.703   29.033    203.183   29.707    33.812  3.2457  38.214  2.9246  -4.401310      4.368945 
1 1 1 -6  17  29 o 24.354  2.5814  85.947    16.052    68.255    22.397    104.634   23.018    21.534  4.0311  27.173  3.2256  -5.638897      5.162751 
1 1 1 -6  17  30 o 19.849  2.8637  58.655    14.702    61.890    20.540    55.255    21.054    20.498  3.8833  19.201  4.2099  1.296659       5.727414 
1 1 1 -6  17  31 o 12.607  3.0879  22.038    12.705    24.087    18.508    20.212    17.473    13.019  4.4333  12.195  4.2997  0.8245573      6.175878 
1 1 1 -6  17  32 o 12.772  3.0866  22.957    12.968    30.032    18.326    15.860    18.354    14.099  4.3861  11.445  4.3440  2.653939       6.173199 
1 1 1 -6  17  33 o 27.537  2.5683  112.137   18.454    106.361   26.081    117.927   26.113    26.740  3.7442  28.334  3.5164  -1.594454      5.136539 
1 1 1 -6  18  1  o 177.285 3.6024  4230.20   171.021   4115.56   241.342   4345.83   242.380   174.862 5.1529  179.707 5.0355  -4.845459      7.204751 
1 1 1 -6  18  2  o 350.365 6.6571  16722.12  624.564   16262.30  882.537   17183.46  883.998   345.462 9.5377  355.268 9.2898  -9.806061      13.31421 
1 1 1 -6  18  3  o 163.764 3.3726  3607.90   147.915   3672.88   209.089   3542.80   209.279   165.247 4.7240  162.281 4.8147  2.966202       6.745168 
1 1 1 -6  18  4  o 119.223 2.7076  1909.10   86.462    1906.95   122.289   1911.24   122.263   119.156 3.8316  119.291 3.8265  -0.1345596     5.415105 
1 1 1 -6  18  5  o 126.187 2.8015  2139.26   94.677    2181.02   134.046   2097.70   133.740   127.419 3.9276  124.955 3.9960  2.464470       5.603032 
1 1 1 -6  18  6  f 153.054 3.2005  3150.49   131.204   3151.15   185.819   3149.83   185.283   153.069 4.5322  153.039 4.5201  0.3028870E-01  6.400960 
1 1 1 -6  18  7  o 59.026  1.9946  468.653   31.421    439.006   44.586    497.904   44.288    57.126  2.9237  60.925  2.7139  -3.798626      3.989167 
1 1 1 -6  18  8  o 122.249 2.7685  2008.71   90.652    2010.23   128.525   2007.21   127.881   122.294 3.9237  122.204 3.9069  0.9009552E-01  5.537030 
1 1 1 -6  18  9  o 87.319  2.2743  1023.93   53.189    1019.04   75.510    1028.75   74.935    87.110  3.2363  87.528  3.1963  -0.4171448     4.548642 
1 1 1 -6  18  10 o 161.045 3.3316  3497.25   143.679   3418.38   203.444   3575.73   202.942   159.220 4.7704  162.870 4.6520  -3.650391      6.663208 
1 1 1 -6  18  11 o 179.978 3.6558  4379.07   176.228   4342.92   249.500   4415.07   248.948   179.227 5.1973  180.728 5.1427  -1.500458      7.311614 
1 1 1 -6  18  12 o 116.599 3.2563  1860.01   95.936    1764.05   163.494   1910.41   118.477   114.099 5.3497  119.098 3.7140  -4.998520      6.512533 
1 1 1 -6  18  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  18  14 o 70.750  2.0959  674.126   39.695    649.799   56.266    698.231   56.010    69.472  3.0238  72.029  2.9031  -2.557404      4.191823 
1 1 1 -6  18  15 o 12.851  2.5440  22.962    9.1150    21.472    13.065    24.374    12.722    12.497  3.6651  13.206  3.5292  -0.7088013     5.088099 
1 1 1 -6  18  16 o 86.945  2.2963  1021.49   53.451    1062.46   75.816    981.001   75.367    88.692  3.1915  85.198  3.3026  3.493568       4.592695 
1 1 1 -6  18  17 o 21.516  2.2054  63.807    12.333    66.565    17.699    61.205    17.194    21.982  3.0915  21.051  3.1460  0.9311199      4.410719 
1 1 1 -6  18  18 o 27.762  2.0343  105.372   14.821    118.805   21.211    92.557    20.717    29.541  2.7109  25.984  3.0339  3.557180       4.068615 
1 1 1 -6  18  19 o 41.805  1.9578  237.376   21.793    233.159   30.948    241.525   30.695    41.428  2.8055  42.183  2.7313  -0.7555161     3.915520 
1 1 1 -6  18  20 o 11.261  2.4926  14.406    9.5302    0.4396    13.317    29.067    13.644    8.1948  3.4809  14.327  3.5688  -6.132408      4.985284 
1 1 1 -6  18  21 o 47.520  2.0108  307.355   25.475    308.394   36.226    306.338   35.833    47.597  2.8547  47.443  2.8327  0.1538200      4.021651 
1 1 1 -6  18  22 o 48.732  2.0536  324.195   26.669    313.341   37.800    334.953   37.633    47.899  2.9608  49.565  2.8466  -1.665909      4.107278 
1 1 1 -6  18  23 o 17.087  2.8279  42.047    12.724    44.855    17.803    39.116    18.191    17.696  3.8642  16.477  4.1300  1.219414       5.655841 
1 1 1 -6  18  24 o 28.276  2.1643  110.793   16.124    114.096   22.856    107.521   22.751    28.714  3.0169  27.839  3.1040  0.8745747      4.328567 
1 1 1 -6  18  25 o 59.675  2.1615  491.319   34.432    496.582   48.608    486.018   48.780    60.009  3.0340  59.340  3.0796  0.6689301      4.323073 
1 1 1 -6  18  26 o 35.884  2.1215  179.205   20.151    192.656   28.495    165.747   28.502    37.294  2.8748  34.473  3.1206  2.820454       4.242914 
1 1 1 -6  18  27 o 8.7136  2.5501  2.1196    10.159    -6.4465   14.656    10.041    14.094    7.5560  3.4105  9.8712  3.7922  -2.315224      5.100233 
1 1 1 -6  18  28 o 23.944  2.5699  82.998    15.843    71.529    22.277    94.733    22.535    22.107  3.9050  25.782  3.3419  -3.674595      5.139834 
1 1 1 -6  18  29 o 11.767  3.0161  17.748    12.270    19.879    17.506    15.691    17.202    12.171  4.3023  11.363  4.2281  0.8077087      6.032183 
1 1 1 -6  18  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  18  31 o 10.739  2.8040  9.0830    12.216    -8.7079   17.108    27.594    17.450    7.9041  3.6133  13.574  4.2888  -5.670261      5.607998 
1 1 1 -6  18  32 o 10.661  2.9391  12.335    12.352    18.158    17.143    6.0492    17.813    11.582  4.2364  9.7398  4.0749  1.841853       5.878106 
1 1 1 -6  19  1  o 101.789 2.4335  1390.95   66.343    1396.98   93.447    1384.83   94.205    102.012 3.4200  101.565 3.4629  0.4475937      4.867030 
1 1 1 -6  19  2  o 126.433 2.8020  2148.36   94.852    2211.93   133.896   2084.33   134.388   128.318 3.8958  124.548 4.0284  3.769341       5.604031 
1 1 1 -6  19  3  o 39.205  1.8962  207.485   19.751    219.594   27.725    195.006   28.145    40.383  2.5766  38.027  2.7826  2.356571       3.792349 
1 1 1 -6  19  4  o 88.400  2.2856  1049.08   54.105    1075.37   76.519    1022.80   76.513    89.510  3.1916  87.290  3.2725  2.220146       4.571181 
1 1 1 -6  19  5  o 116.788 2.6536  1832.56   83.009    1827.51   117.550   1837.58   117.236   116.627 3.7630  116.950 3.7426  -0.3229294     5.307284 
1 1 1 -6  19  6  f 132.651 2.9260  2366.47   103.958   2388.31   147.293   2344.78   146.745   133.262 4.1265  132.039 4.1493  1.223099       5.851901 
1 1 1 -6  19  7  o 39.466  1.9285  210.172   20.237    199.490   28.657    220.797   28.582    38.453  2.8017  40.479  2.6508  -2.026382      3.856954 
1 1 1 -6  19  8  o 55.264  1.9907  410.600   29.384    433.358   41.833    388.436   41.283    56.818  2.7488  53.710  2.8801  3.108109       3.981338 
1 1 1 -6  19  9  o 27.466  2.0955  102.507   15.171    103.326   21.619    101.712   21.293    27.574  2.9743  27.358  2.9526  0.2157173      4.190966 
1 1 1 -6  19  10 o 117.495 2.6985  1860.87   84.866    1786.45   120.229   1934.77   119.811   115.137 3.8985  119.852 3.7322  -4.715088      5.397020 
1 1 1 -6  19  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  19  12 o 122.731 2.7750  2035.15   91.205    1994.83   129.216   2075.18   128.753   121.507 3.9703  123.955 3.8780  -2.448105      5.549973 
1 1 1 -6  19  13 o 63.488  2.0485  542.875   34.833    540.846   49.500    544.866   49.025    63.369  2.9164  63.608  2.8775  -0.2398491     4.097005 
1 1 1 -6  19  14 o 131.377 2.9200  2342.91   102.751   2359.84   145.556   2326.08   145.069   131.854 4.1214  130.900 4.1376  0.9533539      5.840010 
1 1 1 -6  19  15 f 7.6179  2.2352  -0.0970   7.8699    7.1445    11.248    -7.0424   11.015    8.8399  3.3897  6.3958  2.9143  2.444096       4.470305 
1 1 1 -6  19  16 o 62.108  2.0491  521.362   34.045    555.629   48.462    487.974   47.837    64.138  2.8210  60.078  2.9728  4.059654       4.098217 
1 1 1 -6  19  17 o 66.900  2.0967  605.695   37.567    619.136   53.405    592.531   52.853    67.639  2.9478  66.162  2.9825  1.477371       4.193398 
1 1 1 -6  19  18 o 78.304  2.2447  832.476   47.030    880.404   66.778    785.311   66.245    80.567  3.0945  76.042  3.2525  4.525505       4.489357 
1 1 1 -6  19  19 o 23.370  2.2729  75.745    13.760    85.480    19.611    66.305    19.312    24.926  2.9975  21.814  3.4174  3.112013       4.545717 
1 1 1 -6  19  20 o 39.477  2.0198  212.668   21.208    217.702   30.039    207.664   29.946    39.953  2.8252  39.001  2.8872  0.9522324      4.039528 
1 1 1 -6  19  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  19  22 o 48.762  2.0573  325.693   26.722    343.350   38.008    308.434   37.578    50.097  2.8442  47.427  2.9732  2.670471       4.114523 
1 1 1 -6  19  23 o 17.026  2.7938  42.489    12.873    26.076    18.264    58.693    18.148    13.693  4.3942  20.359  3.4513  -6.665498      5.587530 
1 1 1 -6  19  24 o 22.899  2.5596  74.760    15.148    70.317    21.604    79.057    21.244    22.158  3.7754  23.640  3.4573  -1.481878      5.119196 
1 1 1 -6  19  25 f 18.762  2.6717  51.209    12.955    48.503    18.534    53.794    18.116    18.218  3.9148  19.306  3.6367  -1.087618      5.343396 
1 1 1 -6  19  26 o 10.006  2.7744  9.3965    10.837    10.917    15.713    8.0177    14.965    10.331  3.9946  9.6801  3.8513  0.6510296      5.548810 
1 1 1 -6  19  27 o 9.7947  2.6581  8.0000    10.519    -2.9501   15.316    17.776    14.472    8.1366  3.5910  11.453  3.9201  -3.316263      5.316260 
1 1 1 -6  19  28 o 8.7912  2.6343  2.0209    10.811    5.2130    15.207    -1.2419   15.374    9.2295  3.8047  8.3529  3.6446  0.8765154      5.268640 
1 1 1 -6  19  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  19  30 o 34.898  2.3598  175.558   21.706    160.590   30.721    190.481   30.674    33.281  3.4986  36.514  3.1677  -3.232777      4.719607 
1 1 1 -6  19  31 o 13.216  3.0663  25.043    13.544    10.417    19.179    39.594    19.129    10.579  4.3066  15.852  4.3661  -5.272910      6.132669 
1 1 1 -6  20  1  o 128.149 2.8316  2207.67   97.169    2252.14   137.016   2162.67   137.824   129.453 3.9516  126.844 4.0566  2.609528       5.663137 
1 1 1 -6  20  2  o 154.724 3.2151  3221.46   133.240   3209.75   188.025   3233.27   188.837   154.442 4.5453  155.007 4.5483  -0.5643921     6.430115 
1 1 1 -6  20  3  o 123.514 2.7948  2050.96   92.459    2049.86   130.541   2052.06   130.975   123.482 3.9469  123.546 3.9579  -0.6484222E-01 5.589552 
1 1 1 -6  20  4  o 46.463  1.9204  290.691   23.791    297.318   33.688    284.098   33.603    46.996  2.6874  45.931  2.7440  1.065449       3.840751 
1 1 1 -6  20  5  o 109.640 2.6015  1616.32   76.392    1643.07   108.150   1589.68   107.921   110.549 3.6524  108.732 3.7056  1.816910       5.203052 
1 1 1 -6  20  6  o 201.438 4.0052  5491.67   216.095   5541.52   305.880   5441.99   305.330   202.358 5.6434  200.518 5.6850  1.840820       8.010422 
1 1 1 -6  20  7  o 113.859 2.6915  1745.52   82.078    1769.21   116.368   1722.06   115.787   114.630 3.7900  113.088 3.8226  1.542732       5.382979 
1 1 1 -6  20  8  o 81.579  2.2247  894.967   48.609    901.989   69.064    888.073   68.427    81.896  3.1485  81.262  3.1438  0.6337204      4.449310 
1 1 1 -6  20  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  20  10 o 39.959  1.9449  215.807   20.682    213.884   29.555    217.652   28.953    39.779  2.7915  40.140  2.7088  -0.3611450     3.889748 
1 1 1 -6  20  11 o 54.194  1.9988  396.389   28.909    406.482   41.214    386.613   40.562    54.877  2.8134  53.512  2.8401  1.365704       3.997672 
1 1 1 -6  20  12 o 37.286  1.9515  188.505   19.327    179.825   27.500    196.976   27.169    36.420  2.8416  38.152  2.6756  -1.732136      3.902965 
1 1 1 -6  20  13 o 94.482  2.3987  1208.18   60.697    1192.77   86.073    1223.42   85.606    93.874  3.4232  95.091  3.3610  -1.216606      4.797379 
1 1 1 -6  20  14 o 72.041  2.1438  702.171   41.333    672.118   58.593    731.940   58.315    70.489  3.1034  73.593  2.9584  -3.103462      4.287558 
1 1 1 -6  20  15 o 34.692  2.0021  163.718   18.440    166.397   26.276    161.119   25.884    34.974  2.8292  34.410  2.8336  0.5635605      4.004195 
1 1 1 -6  20  16 o 17.722  2.5554  44.255    11.720    49.606    16.773    39.151    16.382    18.818  3.4551  16.626  3.7660  2.191547       5.110811 
1 1 1 -6  20  17 o 41.705  2.0300  236.718   22.464    261.629   32.197    213.089   31.357    43.879  2.7535  39.531  2.9835  4.348408       4.059910 
1 1 1 -6  20  18 o 39.481  2.0389  212.981   21.366    199.457   30.401    226.180   30.034    38.207  2.9947  40.756  2.7676  -2.549835      4.077707 
1 1 1 -6  20  19 o 30.502  2.2280  129.734   17.526    101.705   24.839    157.524   24.733    27.045  3.5118  33.958  2.7427  -6.912922      4.455929 
1 1 1 -6  20  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  20  21 o 15.461  2.7184  33.821    12.065    53.504    17.363    15.444    16.777    19.438  3.4618  11.484  4.1924  7.953437       5.436897 
1 1 1 -6  20  22 o 17.537  2.7984  44.526    13.169    63.541    19.089    27.259    18.190    21.170  3.4879  13.905  4.3771  7.265194       5.596833 
1 1 1 -6  20  23 o 21.350  2.6801  67.066    14.403    95.834    20.714    40.138    20.040    26.207  3.0053  16.494  4.4386  9.713232       5.360271 
1 1 1 -6  20  24 o 28.286  2.2777  113.051   16.846    101.794   24.000    123.984   23.651    26.790  3.4229  29.782  3.0060  -2.991726      4.555472 
1 1 1 -6  20  25 o 13.653  2.9730  25.994    12.518    38.402    18.147    14.730    17.290    16.050  4.1799  11.255  4.2289  4.795111       5.946021 
1 1 1 -6  20  26 f 38.185  2.2185  205.435   22.452    192.643   31.699    218.314   31.806    36.925  3.2378  39.446  3.0336  -2.520920      4.436901 
1 1 1 -6  20  27 o 23.184  2.7402  79.117    16.348    71.111    23.288    86.896    22.956    21.871  4.1266  24.498  3.6063  -2.627405      5.480356 
1 1 1 -6  20  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  20  29 o 8.0666  2.5172  -2.5178   10.703    0.7670    15.047    -5.8815   15.227    8.4544  3.6474  7.6788  3.4701  0.7755919      5.034432 
1 1 1 -6  20  30 o 12.226  3.0505  21.064    12.715    14.010    17.796    28.421    18.175    10.893  4.2401  13.560  4.3868  -2.667172      6.101015 
1 1 1 -6  21  1  o 132.196 2.9045  2352.15   102.804   2418.43   144.974   2285.11   145.804   134.081 4.0368  130.312 4.1773  3.768738       5.809087 
1 1 1 -6  21  2  o 55.677  1.9404  416.571   28.885    406.960   40.672    426.352   41.030    54.993  2.7701  56.361  2.7179  -1.368214      3.880806 
1 1 1 -6  21  3  o 56.402  1.9546  427.735   29.453    406.513   41.475    449.325   41.832    54.951  2.8275  57.854  2.6995  -2.903713      3.909218 
1 1 1 -6  21  4  o 56.703  1.9933  432.467   30.207    416.341   42.607    448.764   42.832    55.600  2.8708  57.807  2.7663  -2.206772      3.986692 
1 1 1 -6  21  5  o 119.850 2.7397  1935.35   87.948    1933.81   124.424   1936.89   124.331   119.802 3.8775  119.898 3.8715  -0.9648895E-01 5.479346 
1 1 1 -6  21  6  o 70.103  4.5005  666.862   84.059    0.0000    0.0000    666.862   84.059    ?       ?       70.103  4.5005  ?              ?        
1 1 1 -6  21  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  21  8  o 72.038  2.1427  698.855   41.339    689.548   58.629    708.058   58.296    71.558  3.0589  72.519  3.0012  -0.9615097     4.285331 
1 1 1 -6  21  9  o 90.776  2.3844  1112.05   57.963    1143.58   82.360    1081.10   81.589    92.057  3.3402  89.494  3.4037  2.563156       4.768813 
1 1 1 -6  21  10 o 85.993  2.2979  998.784   52.918    981.949   75.062    1015.42   74.614    85.264  3.2867  86.721  3.2122  -1.457489      4.595742 
1 1 1 -6  21  11 o 118.863 2.7789  1918.66   88.468    1938.48   125.508   1899.09   124.723   119.476 3.9219  118.249 3.9378  1.226852       5.557715 
1 1 1 -6  21  12 o 47.569  1.9921  306.578   25.265    306.583   35.989    306.573   35.478    47.565  2.8377  47.572  2.7966  -0.7251740E-02 3.984155 
1 1 1 -6  21  13 o 18.086  2.4928  45.890    11.639    48.612    16.619    43.269    16.307    18.637  3.4564  17.534  3.5928  1.102335       4.985511 
1 1 1 -6  21  14 o 63.842  2.1128  552.052   36.091    586.213   51.422    518.889   50.666    65.805  2.9174  61.879  3.0569  3.926357       4.225646 
1 1 1 -6  21  15 o 39.801  2.0347  215.805   21.530    208.480   30.589    222.996   30.309    39.114  2.9413  40.489  2.8122  -1.375183      4.069385 
1 1 1 -6  21  16 o 38.809  2.0466  205.406   21.118    205.291   30.076    205.517   29.660    38.793  2.9159  38.825  2.8725  -0.3179169E-01 4.093138 
1 1 1 -6  21  17 o 27.808  2.2275  107.226   16.177    96.356    23.270    117.392   22.503    26.362  3.3728  29.254  2.9106  -2.891500      4.455052 
1 1 1 -6  21  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  21  19 o 20.744  2.6256  61.503    13.883    79.672    20.004    44.620    19.283    23.915  3.2034  17.573  4.1610  6.341541       5.251241 
1 1 1 -6  21  20 o 42.275  2.1333  246.663   23.939    229.612   34.000    263.426   33.711    40.768  3.1377  43.781  2.8910  -3.012333      4.266521 
1 1 1 -6  21  21 o 9.7994  2.4809  6.2164    9.7252    22.796    13.954    -9.4429   13.561    12.676  3.8053  6.9231  3.1840  5.752496       4.961726 
1 1 1 -6  21  22 o 40.367  2.1472  226.499   23.009    242.238   32.785    211.225   32.298    41.798  2.9473  38.936  3.1233  2.862328       4.294359 
1 1 1 -6  21  23 o 16.718  2.9083  41.362    12.915    42.752    18.876    40.139    17.709    16.964  4.1811  16.471  4.0438  0.4931927      5.816698 
1 1 1 -6  21  24 o 10.288  2.7551  11.657    10.445    13.616    14.967    9.7968    14.583    10.680  3.9498  9.8965  3.8422  0.7830544      5.510286 
1 1 1 -6  21  25 o 16.968  3.0378  43.716    14.021    34.022    20.129    52.852    19.542    15.065  4.5811  18.871  3.9909  -3.805291      6.075674 
1 1 1 -6  21  26 o 11.253  2.8817  14.381    11.870    3.5554    16.736    25.338    16.837    9.3217  3.9277  13.185  4.2178  -3.863468      5.763379 
1 1 1 -6  21  27 o 28.122  2.6958  117.383   19.178    88.558    27.047    146.530   27.197    24.213  4.3293  32.031  3.2133  -7.818520      5.391510 
1 1 1 -6  21  28 o 11.639  3.0206  17.832    12.503    12.846    18.196    22.290    17.208    10.857  4.2698  12.421  4.2738  -1.563777      6.041212 
1 1 1 -6  22  1  o 193.810 3.8579  5087.08   200.259   5010.45   282.493   5164.48   283.930   192.332 5.4836  195.288 5.4281  -2.955948      7.715821 
1 1 1 -6  22  2  o 164.700 3.4069  3667.96   150.234   3534.59   211.804   3803.00   213.127   161.663 4.8914  167.737 4.7437  -6.074570      6.813885 
1 1 1 -6  22  3  o 82.271  2.2415  910.661   49.389    922.334   69.722    898.904   69.971    82.803  3.1437  81.738  3.1960  1.064598       4.482961 
1 1 1 -6  22  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  22  5  o 71.517  2.6169  705.675   47.148    737.789   58.582    646.620   79.441    74.041  2.9539  68.993  4.3206  5.048164       5.233892 
1 1 1 -6  22  6  f 37.184  1.9509  187.208   19.276    194.577   27.160    179.729   27.362    37.935  2.6904  36.433  2.8260  1.502232       3.901892 
1 1 1 -6  22  7  f 71.509  2.1357  689.453   40.898    675.821   57.912    703.017   57.766    70.798  3.0539  72.219  2.9863  -1.421089      4.271346 
1 1 1 -6  22  8  o 35.161  1.9897  167.855   18.553    157.843   26.249    177.850   26.227    34.091  2.9023  36.230  2.7226  -2.139019      3.979421 
1 1 1 -6  22  9  o 27.127  2.1098  100.589   15.068    97.646    21.390    103.488   21.230    26.718  3.0432  27.537  2.9231  -0.8189259     4.219646 
1 1 1 -6  22  10 o 90.525  2.4122  1111.59   58.446    1065.74   82.822    1157.07   82.490    88.639  3.4884  92.411  3.3326  -3.771072      4.824480 
1 1 1 -6  22  11 o 45.223  1.9786  277.402   23.824    294.261   33.967    261.079   33.423    46.593  2.7337  43.853  2.8612  2.740696       3.957220 
1 1 1 -6  22  12 o 35.102  2.0138  167.748   18.769    169.874   26.785    165.697   26.307    35.320  2.8557  34.883  2.8402  0.4365807      4.027640 
1 1 1 -6  22  13 o 95.838  2.4884  1251.30   63.871    1237.86   90.644    1264.55   90.015    95.312  3.5506  96.363  3.4875  -1.051178      4.976884 
1 1 1 -6  22  14 f 87.948  2.3727  1053.51   55.883    1080.85   79.489    1026.79   78.580    89.087  3.3312  86.809  3.3795  2.277740       4.745337 
1 1 1 -6  22  15 o 23.324  2.4335  76.333    14.466    94.276    20.728    59.295    20.199    26.167  3.0125  20.480  3.8227  5.686575       4.867024 
1 1 1 -6  22  16 o 13.073  2.7738  23.697    10.769    16.369    15.498    30.537    14.974    11.517  4.0506  14.629  3.7906  -3.111837      5.547636 
1 1 1 -6  22  17 o 20.420  3.7060  59.141    19.523    59.141    19.523    0.0000    0.0000    20.420  3.7060  ?       ?       ?              ?        
1 1 1 -6  22  18 o 13.431  2.6602  23.248    11.479    43.785    16.465    3.8226    16.013    17.493  3.6328  9.3693  3.8869  8.123615       5.320311 
1 1 1 -6  22  19 o 21.936  2.6369  68.435    14.846    81.550    21.644    56.782    20.402    24.046  3.4602  19.827  3.9800  4.218367       5.273810 
1 1 1 -6  22  20 o 19.223  2.6993  53.366    13.390    55.396    19.555    51.573    18.374    19.557  3.8701  18.889  3.7639  0.6679974      5.398543 
1 1 1 -6  22  21 o 15.704  2.8646  36.278    12.173    40.948    17.454    31.855    16.986    16.684  3.9642  14.724  4.1362  1.960917       5.729114 
1 1 1 -6  22  22 o 12.768  2.9059  23.153    11.448    18.091    16.696    27.645    15.727    11.798  4.1982  13.738  4.0190  -1.939590      5.811836 
1 1 1 -6  22  23 o 12.931  2.9554  22.369    12.150    34.527    18.053    12.303    16.427    15.196  4.2625  10.666  4.0949  4.529970       5.910819 
1 1 1 -6  22  24 f 7.1334  2.3017  -8.8196   9.7745    -2.6345   14.656    -13.7744  13.118    7.9802  3.5178  6.2866  2.9691  1.693570       4.603357 
1 1 1 -6  22  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  22  26 o 10.655  2.9317  9.7279    12.574    21.797    18.550    -0.5303   17.102    12.501  4.4277  8.8095  3.8438  3.691219       5.863394 
1 1 1 -6  22  27 o 23.879  2.8552  86.492    17.610    86.846    25.012    86.144    24.799    23.922  4.0479  23.837  4.0278  0.8531380E-01  5.710392 
1 1 1 -6  23  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  23  2  o 40.563  4.3305  225.174   46.322    225.174   46.322    0.0000    0.0000    40.563  4.3305  ?       ?       ?              ?        
1 1 1 -6  23  3  o 114.661 2.6614  1776.58   81.724    1735.29   115.181   1818.44   115.974   113.311 3.7951  116.011 3.7323  -2.700470      5.322813 
1 1 1 -6  23  4  o 101.334 2.4685  1387.15   67.000    1393.78   94.591    1380.47   94.914    101.581 3.4765  101.088 3.5055  0.4935226      4.937060 
1 1 1 -6  23  5  o 74.691  2.1651  752.693   43.312    741.472   61.090    764.034   61.417    74.129  3.0768  75.253  3.0470  -1.124825      4.330229 
1 1 1 -6  23  6  f 64.580  2.0831  563.231   35.989    529.872   50.802    596.838   50.990    62.645  3.0277  66.515  2.8620  -3.869568      4.166290 
1 1 1 -6  23  7  o 44.000  1.9518  262.326   22.879    255.448   32.430    269.141   32.282    43.416  2.8037  44.585  2.7162  -1.168724      3.903642 
1 1 1 -6  23  8  o 23.800  2.1765  77.880    13.549    76.894    19.112    78.876    19.211    23.643  3.0920  23.956  3.0641  -0.3130665     4.353088 
1 1 1 -6  23  9  o 51.296  2.0069  356.978   27.453    345.183   38.862    368.728   38.787    50.435  2.8888  52.156  2.7866  -1.720268      4.013752 
1 1 1 -6  23  10 o 58.166  2.0751  458.757   32.251    479.153   45.877    438.828   45.348    59.495  2.8789  56.837  2.9893  2.657799       4.150163 
1 1 1 -6  23  11 o 52.790  2.0521  378.648   28.901    384.932   41.214    372.568   40.540    53.222  2.9021  52.358  2.9021  0.8642273      4.104179 
1 1 1 -6  23  12 o 32.753  2.1099  146.872   18.227    163.393   26.061    131.051   25.503    34.605  2.8366  30.901  3.1242  3.703659       4.219824 
1 1 1 -6  23  13 o 34.595  2.1231  164.641   19.334    143.933   27.417    185.124   27.268    32.353  3.2061  36.838  2.7842  -4.484936      4.246288 
1 1 1 -6  23  14 o 21.024  2.4387  61.908    13.191    71.443    19.085    53.186    18.253    22.659  3.2367  19.389  3.6486  3.269360       4.877345 
1 1 1 -6  23  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  23  16 o 52.799  2.1180  382.620   29.809    401.263   42.427    364.443   41.892    54.096  2.9391  51.501  3.0505  2.595306       4.236024 
1 1 1 -6  23  17 o 39.127  2.1819  211.644   22.666    221.553   32.235    201.955   31.876    40.062  3.0264  38.193  3.1439  1.868137       4.363807 
1 1 1 -6  23  18 o 36.791  2.2176  187.887   21.507    215.490   31.103    162.594   29.773    39.465  2.9641  34.117  3.2992  5.347492       4.435127 
1 1 1 -6  23  19 o 37.511  2.1992  196.293   21.888    192.860   31.195    199.622   30.719    37.160  3.1643  37.862  3.0551  -0.7021255     4.398423 
1 1 1 -6  23  20 o 27.851  2.3484  109.849   17.168    109.054   24.508    110.616   24.058    27.730  3.3688  27.973  3.2728  -0.2431812     4.696802 
1 1 1 -6  23  21 o 20.983  2.8523  64.969    15.441    60.837    21.899    69.053    21.774    20.238  4.1783  21.728  3.8838  -1.490402      5.704607 
1 1 1 -6  23  22 f 54.722  2.2720  421.571   33.106    450.592   47.232    393.544   46.416    56.651  3.1248  52.794  3.2990  3.856773       4.543980 
1 1 1 -6  23  23 o 15.028  3.1667  33.916    13.718    37.228    19.827    30.874    19.001    15.666  4.4922  14.391  4.4644  1.274995       6.333334 
1 1 1 -6  23  24 o 12.586  4.5925  21.172    20.129    21.172    20.129    0.0000    0.0000    12.586  4.5925  ?       ?       ?              ?        
1 1 1 -6  23  25 o 56.468  2.3050  456.589   34.710    466.726   49.417    446.720   48.763    57.106  3.2442  55.831  3.2752  1.274769       4.609913 
1 1 1 -6  24  1  o 25.664  2.1700  91.614    14.136    67.579    19.951    115.845   20.033    22.102  3.4856  29.226  2.5858  -7.123367      4.340053 
1 1 1 -6  24  2  o 45.839  1.9311  284.620   23.540    307.002   33.236    262.091   33.344    47.675  2.6127  44.002  2.8444  3.672508       3.862184 
1 1 1 -6  24  3  o 57.951  2.0094  453.045   31.189    455.180   43.968    450.883   44.250    58.091  2.8258  57.811  2.8577  0.2795296      4.018884 
1 1 1 -6  24  4  o 18.499  2.3853  47.985    11.330    39.644    15.949    56.482    16.098    16.778  3.6525  20.220  3.0687  -3.442310      4.770540 
1 1 1 -6  24  5  f 9.8829  2.2149  7.7108    8.2557    25.315    11.886    -8.6960   11.475    13.407  3.3259  6.3584  2.9260  7.049059       4.429846 
1 1 1 -6  24  6  f 37.840  1.9642  194.741   19.733    207.289   27.878    182.141   27.935    39.088  2.6789  36.592  2.8733  2.496181       3.928370 
1 1 1 -6  24  7  o 21.194  2.3159  62.701    12.609    53.171    17.840    72.213    17.824    19.480  3.5499  22.908  2.9751  -3.427204      4.631789 
1 1 1 -6  24  8  o 36.837  2.0152  184.844   19.708    194.562   27.962    175.251   27.782    37.819  2.7798  35.854  2.9183  1.965504       4.030355 
1 1 1 -6  24  9  o 51.900  2.0297  366.180   28.097    355.604   39.691    376.802   39.779    51.137  2.9098  52.664  2.8304  -1.527966      4.059344 
1 1 1 -6  24  10 o 26.870  2.1658  99.260    15.281    106.913   21.921    92.026    21.313    27.909  2.9785  25.832  3.1452  2.076845       4.331680 
1 1 1 -6  24  11 o 47.287  2.0510  304.938   25.764    337.562   36.889    273.869   35.999    49.801  2.7765  44.774  3.0194  5.026936       4.101938 
1 1 1 -6  24  12 o 67.766  2.2117  626.862   40.119    604.421   56.945    648.977   56.529    66.534  3.1954  68.998  3.0588  -2.464043      4.423462 
1 1 1 -6  24  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  24  14 o 36.044  2.1872  179.447   20.878    170.171   29.706    188.501   29.348    35.081  3.1965  37.008  2.9862  -1.926414      4.374318 
1 1 1 -6  24  15 o 14.514  2.7459  30.223    11.719    14.393    16.836    45.099    16.321    11.273  4.1852  17.756  3.5558  -6.483640      5.491776 
1 1 1 -6  24  16 o 16.800  2.8983  41.159    12.909    42.966    18.858    39.566    17.707    17.136  4.1522  16.464  4.0446  0.6722355      5.796552 
1 1 1 -6  24  17 o 21.161  2.7065  66.008    14.542    46.164    20.621    85.642    20.512    17.649  4.3822  24.673  3.1777  -7.023775      5.413100 
1 1 1 -6  24  18 o 37.162  2.2747  194.019   22.244    222.511   31.846    166.874   31.084    39.957  2.9974  34.367  3.4224  5.590717       4.549404 
1 1 1 -6  24  19 o 17.614  2.9501  46.588    14.231    27.935    19.997    65.727    20.256    13.945  4.6066  21.284  3.6868  -7.339352      5.900248 
1 1 1 -6  24  20 o 19.978  2.9652  59.453    15.372    67.949    22.130    51.531    21.370    21.471  3.9951  18.484  4.3828  2.987310       5.930391 
1 1 1 -6  24  21 f 31.257  2.4620  139.926   20.245    136.918   28.951    142.805   28.321    30.876  3.5662  31.638  3.3952  -0.7610950     4.923904 
1 1 1 -6  24  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  24  23 o 46.505  2.3592  311.079   28.747    372.308   41.067    252.249   40.255    51.318  3.0008  41.691  3.6413  9.626389       4.718476 
1 1 1 -6  24  24 o 15.049  3.1646  34.666    14.566    19.334    20.506    50.278    20.693    12.155  4.5970  17.944  4.3505  -5.788207      6.329234 
1 1 1 -6  25  1  o 54.748  1.9824  405.091   29.003    388.197   40.642    422.621   41.400    53.541  2.8442  55.954  2.7624  -2.413326      3.964853 
1 1 1 -6  25  2  o 16.736  2.4759  40.520    10.879    23.578    15.492    57.003    15.280    13.132  4.0240  20.340  2.8855  -7.207833      4.951703 
1 1 1 -6  25  3  o 53.060  2.0055  381.700   28.397    379.927   39.887    383.523   40.437    52.938  2.8232  53.183  2.8491  -0.2448730     4.010965 
1 1 1 -6  25  4  o 58.159  2.0168  458.423   31.351    469.931   44.142    446.711   44.534    58.943  2.7960  57.375  2.9074  1.568745       4.033638 
1 1 1 -6  25  5  o 59.347  2.0675  478.035   32.776    500.162   46.307    455.822   46.397    60.781  2.8444  57.914  3.0013  2.866673       4.135036 
1 1 1 -6  25  6  o 70.558  2.1612  675.627   40.843    677.568   57.692    673.676   57.829    70.662  3.0482  70.453  3.0645  0.2081985      4.322303 
1 1 1 -6  25  7  o 17.433  2.5192  44.303    11.895    73.680    17.026    16.292    16.626    23.155  2.8023  11.711  4.1871  11.44363       5.038309 
1 1 1 -6  25  8  o 28.798  2.1636  114.659   16.236    132.903   22.989    96.506    22.932    31.185  2.7815  26.411  3.3147  4.773941       4.327108 
1 1 1 -6  25  9  o 35.157  2.0839  169.202   19.414    157.801   27.191    181.059   27.728    33.921  3.0244  36.394  2.8677  -2.472290      4.167835 
1 1 1 -6  25  10 o 71.685  2.2370  701.911   42.943    687.802   60.839    715.918   60.623    70.950  3.2014  72.419  3.1253  -1.469360      4.473990 
1 1 1 -6  25  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  25  12 o 22.870  2.4744  73.620    14.668    74.215    21.109    73.065    20.397    22.945  3.5494  22.794  3.4486  0.1509705      4.948835 
1 1 1 -6  25  13 o 25.359  2.4736  90.560    16.279    100.555   23.260    80.963    22.792    26.817  3.3085  23.901  3.6781  2.916025       4.947191 
1 1 1 -6  25  14 o 23.704  2.5912  80.758    15.591    61.565    21.893    100.508   22.208    20.588  4.1139  26.820  3.1516  -6.231350      5.182302 
1 1 1 -6  25  15 o 15.099  2.8319  32.837    12.185    47.085    17.548    19.569    16.933    18.012  3.7588  12.187  4.2368  5.824251       5.663840 
1 1 1 -6  25  16 o 21.488  2.7671  69.038    15.061    46.324    21.490    90.963    21.113    17.581  4.5340  25.395  3.1733  -7.813288      5.534121 
1 1 1 -6  25  17 o 25.378  2.5774  92.645    17.015    94.385    24.088    90.914    24.037    25.637  3.6077  25.120  3.6818  0.5172424      5.154724 
1 1 1 -6  25  18 o 17.283  3.0143  44.920    13.886    47.976    19.505    41.780    19.772    17.920  4.1461  16.647  4.3764  1.273146       6.028516 
1 1 1 -6  25  19 o 14.471  2.9331  30.316    12.634    44.608    18.208    17.045    17.545    17.290  4.0095  11.652  4.2822  5.638111       5.866295 
1 1 1 -6  25  20 o 12.507  2.9376  20.801    12.790    3.7976    19.165    34.455    17.174    9.8776  4.1847  15.136  4.1238  -5.258582      5.875155 
1 1 1 -6  25  21 o 13.529  3.2251  24.778    14.561    12.021    19.926    39.398    21.332    11.097  4.4347  15.960  4.6838  -4.863264      6.450220 
1 1 1 -6  25  22 o 23.854  2.9919  89.284    17.898    54.466    25.331    123.996   25.292    18.409  5.0054  29.299  3.2790  -10.89024      5.983804 
1 1 1 -6  26  1  o 82.244  2.2430  917.884   49.404    897.596   69.396    938.735   70.349    81.318  3.1861  83.170  3.1579  -1.852402      4.485946 
1 1 1 -6  26  2  o 14.689  2.5500  30.966    10.383    43.197    14.445    17.893    14.934    17.575  3.1860  11.804  3.9825  5.770700       5.100063 
1 1 1 -6  26  3  o 79.038  2.2150  848.982   46.870    873.945   66.059    823.675   66.513    80.229  3.0740  77.847  3.1899  2.382347       4.430000 
1 1 1 -6  26  4  o 45.309  1.9953  279.288   24.084    268.578   33.811    290.318   34.315    44.415  2.8573  46.203  2.7859  -1.787643      3.990643 
1 1 1 -6  26  5  o 78.630  2.2724  842.062   47.856    855.198   67.724    828.962   67.633    79.252  3.1904  78.008  3.2369  1.243942       4.544893 
1 1 1 -6  26  6  o 46.160  2.0603  290.919   25.303    271.951   35.686    310.098   35.883    44.614  3.0038  47.707  2.8207  -3.092957      4.120614 
1 1 1 -6  26  7  o 32.133  2.1479  143.141   17.905    174.083   25.478    112.946   25.169    35.713  2.6831  28.553  3.3549  7.159679       4.295859 
1 1 1 -6  26  8  o 17.556  2.7254  44.218    12.515    52.898    17.821    35.772    17.580    19.333  3.5730  15.778  4.1165  3.555557       5.450889 
1 1 1 -6  26  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  26  10 o 48.765  2.1335  327.134   27.716    337.586   39.110    316.587   39.283    49.575  2.9588  47.955  3.0745  1.619682       4.267028 
1 1 1 -6  26  11 f 38.003  2.1365  199.558   21.554    190.676   30.323    208.627   30.643    37.121  3.0775  38.884  2.9645  -1.762424      4.273086 
1 1 1 -6  26  12 o 43.972  2.1701  267.807   25.399    265.707   35.936    269.904   35.902    43.792  3.0834  44.152  3.0547  -0.3596802     4.340285 
1 1 1 -6  26  13 o 23.328  2.7176  79.431    15.986    103.753   22.850    56.116    22.372    27.182  3.1997  19.475  4.3934  7.707018       5.435138 
1 1 1 -6  26  14 o 11.694  2.8943  17.460    11.380    23.230    16.222    11.870    15.967    12.824  4.1440  10.564  4.0416  2.259518       5.788593 
1 1 1 -6  26  15 o 27.988  2.3768  111.240   17.457    113.358   25.019    109.231   24.369    28.245  3.3739  27.732  3.3485  0.5130596      4.753523 
1 1 1 -6  26  16 o 7.1679  2.2463  -8.1444   9.2996    -21.3482  13.282    4.5544    13.025    5.7210  2.7756  8.6147  3.5327  -2.893715      4.492667 
1 1 1 -6  26  17 o 11.433  2.6434  12.673    11.660    34.435    16.132    -11.1315  16.872    15.204  3.9320  7.6627  3.5341  7.540882       5.286811 
1 1 1 -6  26  18 o 23.397  2.8548  81.109    17.105    97.282    24.584    65.932    23.815    25.906  3.6437  20.887  4.3959  5.018398       5.709650 
1 1 1 -6  26  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  26  20 o 24.058  2.7542  86.146    17.127    91.159    24.503    81.358    23.950    24.805  3.8098  23.311  3.9785  1.493612       5.508405 
1 1 1 -6  26  21 o 24.995  2.8943  94.753    18.454    118.058   26.962    74.210    25.313    28.228  3.6516  21.762  4.4915  6.465313       5.788624 
1 1 1 -6  27  1  o 30.065  2.0935  124.051   16.613    130.490   23.383    117.487   23.607    30.884  2.8591  29.246  3.0588  1.638329       4.186965 
1 1 1 -6  27  2  o 47.407  1.9987  306.082   25.256    296.176   35.527    316.203   35.911    46.620  2.8589  48.194  2.7939  -1.574276      3.997392 
1 1 1 -6  27  3  o 31.024  2.1218  132.109   17.394    124.820   24.365    139.686   24.840    30.128  3.0619  31.920  2.9384  -1.791561      4.243690 
1 1 1 -6  27  4  o 48.161  2.0396  316.693   26.184    308.757   36.944    324.705   37.118    47.543  2.9152  48.779  2.8533  -1.236477      4.079205 
1 1 1 -6  27  5  o 19.441  2.5346  53.667    12.672    45.784    17.847    61.682    17.996    17.897  3.8382  20.986  3.3113  -3.089170      5.069149 
1 1 1 -6  27  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  27  7  o 37.958  2.5349  203.389   24.376    211.445   30.848    189.996   39.777    39.210  2.9591  36.707  4.1166  2.502705       5.069762 
1 1 1 -6  27  8  o 6.4187  2.0191  -11.9781  8.0743    4.2948    11.144    -29.9636  11.715    8.1566  3.2963  4.6808  2.3327  3.475838       4.038198 
1 1 1 -6  27  9  o 19.586  2.6858  55.253    13.574    59.801    19.211    50.720    19.182    20.460  3.6389  18.712  3.9512  1.748091       5.371540 
1 1 1 -6  27  10 o 36.139  2.2059  181.705   21.141    185.017   29.931    178.407   29.865    36.482  3.0922  35.797  3.1468  0.6850357      4.411794 
1 1 1 -6  27  11 o 62.604  2.2446  545.114   37.503    509.843   52.882    580.803   53.195    60.452  3.2782  64.756  3.0669  -4.304367      4.489172 
1 1 1 -6  27  12 o 11.256  2.8764  14.903    11.476    7.5277    16.151    22.424    16.310    9.8610  3.9742  12.652  4.1594  -2.790639      5.752788 
1 1 1 -6  27  13 o 8.4333  2.4948  -2.4954   10.103    12.052    15.346    -13.6233  13.422    10.454  3.9711  6.4131  3.0211  4.040410       4.989669 
1 1 1 -6  27  14 o 17.638  3.0641  46.976    14.500    55.774    20.534    38.224    20.480    19.369  4.0864  15.906  4.5670  3.463585       6.128260 
1 1 1 -6  27  15 f 34.467  2.3972  169.353   21.813    161.128   30.974    177.445   30.723    33.565  3.4966  35.369  3.2803  -1.804134      4.794433 
1 1 1 -6  27  16 o 31.748  2.4213  144.247   20.248    150.351   28.700    138.199   28.569    32.466  3.3484  31.030  3.4985  1.436934       4.842664 
1 1 1 -6  27  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  27  18 o 10.709  2.9837  9.8255    13.193    -0.9745   18.592    20.781    18.725    9.0971  3.9875  12.321  4.4395  -3.223854      5.967341 
1 1 1 -6  27  19 o 14.886  3.2348  33.903    14.842    20.519    20.808    47.765    21.177    12.373  4.6410  17.400  4.5075  -5.027700      6.469646 
1 1 1 -6  28  1  o 42.971  2.0042  252.231   22.931    242.926   32.069    261.966   32.801    42.150  2.8574  43.792  2.8113  -1.641773      4.008498 
1 1 1 -6  28  2  o 20.780  2.5338  60.978    13.498    49.679    18.684    73.311    19.521    18.640  3.8689  22.919  3.2728  -4.278933      5.067555 
1 1 1 -6  28  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  28  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  28  5  o 36.410  2.1193  182.998   20.474    175.931   28.868    190.151   29.041    35.679  3.0500  37.141  2.9433  -1.462044      4.238597 
1 1 1 -6  28  6  o 73.141  2.2701  738.143   44.465    751.278   62.804    724.943   62.963    73.816  3.1765  72.466  3.2439  1.349838       4.540137 
1 1 1 -6  28  7  o 30.754  2.2631  132.236   18.302    144.291   25.974    120.348   25.793    32.220  3.0458  29.288  3.3481  2.931335       4.526213 
1 1 1 -6  28  8  o 48.292  2.1576  323.924   27.715    302.095   39.142    345.870   39.247    46.596  3.1548  49.989  2.9442  -3.393330      4.315222 
1 1 1 -6  28  9  o 21.099  2.7219  65.311    14.653    47.567    20.521    83.766    20.929    17.883  4.3304  24.315  3.2988  -6.431879      5.443779 
1 1 1 -6  28  10 o 25.126  2.4593  90.306    16.042    81.796    22.576    98.987    22.800    23.832  3.6532  26.421  3.2933  -2.589270      4.918538 
1 1 1 -6  28  11 f 43.824  2.2459  269.937   26.178    262.404   36.768    277.680   37.279    43.185  3.2015  44.463  3.1506  -1.278225      4.491768 
1 1 1 -6  28  12 o 25.625  2.5657  94.831    17.115    93.121    24.111    96.567    24.299    25.377  3.6526  25.873  3.6042  -0.4967251     5.131412 
1 1 1 -6  28  13 o 36.272  2.3745  187.847   22.662    167.514   32.196    207.813   31.903    34.169  3.5706  38.375  3.1312  -4.206009      4.749062 
1 1 1 -6  28  14 o 22.758  2.8594  76.838    16.779    80.093    23.607    73.513    23.854    23.320  3.9183  22.195  4.1655  1.125368       5.718767 
1 1 1 -6  28  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  28  16 o 25.743  2.8430  99.013    18.915    106.234   26.714    91.754    26.785    26.820  3.8273  24.665  4.2051  2.155249       5.686042 
1 1 1 -6  28  17 o 22.281  3.0503  76.681    17.526    83.172    24.626    70.020    24.949    23.414  4.0746  21.148  4.5403  2.266870       6.100558 
1 1 1 -6  29  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  29  2  o 42.388  2.0709  247.602   23.355    251.155   32.677    243.892   33.393    42.723  2.8723  42.053  2.9840  0.6692886      4.141781 
1 1 1 -6  29  3  o 30.284  2.2622  128.067   17.878    107.604   24.905    149.822   25.680    27.670  3.4343  32.899  2.9454  -5.228920      4.524347 
1 1 1 -6  29  4  o 17.161  2.8674  43.120    12.965    44.313    17.937    41.816    18.762    17.441  3.9336  16.882  4.1730  0.5590038      5.734703 
1 1 1 -6  29  5  o 40.991  2.1325  233.365   23.242    239.218   32.813    227.473   32.925    41.532  2.9693  40.451  3.0615  1.080853       4.264935 
1 1 1 -6  29  6  o 14.905  2.9611  32.485    12.433    26.321    17.305    39.062    17.876    13.549  4.2699  16.262  4.1038  -2.713120      5.922241 
1 1 1 -6  29  7  o 40.009  2.1650  223.778   22.998    211.101   32.321    236.779   32.731    38.815  3.1356  41.203  2.9860  -2.388607      4.329919 
1 1 1 -6  29  8  o 32.885  2.3092  152.899   20.062    148.142   28.352    157.670   28.392    32.340  3.3202  33.430  3.2103  -1.090481      4.618384 
1 1 1 -6  29  9  o 19.986  2.9194  59.446    15.113    63.885    21.525    55.131    21.224    20.791  4.0106  19.182  4.2434  1.609308       5.838769 
1 1 1 -6  29  10 o 38.253  2.2840  206.986   23.160    195.610   32.377    218.907   33.144    37.134  3.2893  39.373  3.1696  -2.239662      4.567905 
1 1 1 -6  29  11 o 11.533  2.9128  16.740    11.797    24.339    16.363    8.5161    17.023    12.952  4.1596  10.113  4.0786  2.839549       5.825528 
1 1 1 -6  29  12 o 13.824  2.9493  25.670    13.911    48.079    19.350    1.7024    20.012    17.863  4.1273  9.7859  4.2141  8.076692       5.898621 
1 1 1 -6  29  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  29  14 o 22.516  3.0388  77.869    17.581    91.991    24.739    63.461    24.989    24.913  3.8300  20.118  4.7190  4.795782       6.077622 
1 1 1 -6  29  15 o 15.122  3.1728  34.556    14.660    18.858    20.258    51.816    21.242    12.053  4.5665  18.191  4.4062  -6.137953      6.345624 
1 1 1 -6  30  1  o 11.156  2.7282  14.247    10.812    25.829    15.113    2.1045    15.474    13.391  3.9460  8.9200  3.7685  4.471265       5.456451 
1 1 1 -6  30  2  o 6.6002  2.1401  -9.7705   8.8556    -2.4044   12.183    -18.0220  12.895    7.3276  3.2195  5.8729  2.8205  1.454770       4.280253 
1 1 1 -6  30  3  o 21.841  2.6224  68.634    14.724    58.590    20.246    79.911    21.452    20.029  3.9141  23.653  3.4909  -3.624107      5.244706 
1 1 1 -6  30  4  o 10.530  2.7928  10.085    11.210    0.4709    15.175    21.634    16.632    8.5652  3.6788  12.495  4.2030  -3.930033      5.585530 
1 1 1 -6  30  5  o 10.444  2.5729  9.3549    10.777    26.767    14.580    -11.6213  16.003    13.502  3.8458  7.3865  3.4191  6.115772       5.145868 
1 1 1 -6  30  6  o 17.063  2.9584  43.659    13.412    42.041    18.636    45.398    19.318    16.737  4.1718  17.389  4.1958  -0.6521797     5.916838 
1 1 1 -6  30  7  o 24.439  2.5833  86.597    16.351    79.120    22.805    94.506    23.455    23.266  3.7900  25.611  3.5116  -2.344753      5.166700 
1 1 1 -6  30  8  o 27.571  2.5523  110.111   18.301    121.250   25.946    99.081    25.818    29.094  3.3933  26.048  3.8134  3.046021       5.104571 
1 1 1 -6  30  9  o 39.798  2.3164  225.165   24.464    231.615   34.617    218.729   34.577    40.405  3.2256  39.191  3.3253  1.214382       4.632731 
1 1 1 -6  30  10 o 11.950  3.0094  16.931    13.085    30.463    18.503    3.3930    18.507    14.241  4.4034  9.6581  4.1030  4.582954       6.018703 
1 1 1 -6  30  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  30  12 o 7.8609  2.4874  -4.2371   10.754    -2.8472   14.627    -5.8720   15.864    7.8709  3.4897  7.8508  3.5454  0.2006149E-01  4.974760 
1 1 1 -6  30  13 o 31.314  2.5330  144.355   20.859    142.686   29.157    146.105   29.854    31.145  3.5591  31.483  3.6052  -0.3385181     5.066039 
1 1 1 -6  31  1  o 43.271  2.1293  261.841   24.484    243.094   34.235    281.470   35.031    41.629  3.0924  44.912  2.9281  -3.283020      4.258686 
1 1 1 -6  31  2  o 39.152  2.1459  215.509   22.231    193.206   31.270    238.303   31.612    36.999  3.1864  41.305  2.8752  -4.306461      4.291882 
1 1 1 -6  31  3  o 10.527  2.8749  11.675    11.447    10.079    15.361    13.667    17.164    10.061  3.9330  10.994  4.1941  -0.9325581     5.749716 
1 1 1 -6  31  4  o 55.746  2.1964  437.336   32.647    417.682   45.737    457.753   46.615    54.427  3.1508  57.065  3.0609  -2.637672      4.392821 
1 1 1 -6  31  5  o 34.865  2.3189  172.971   21.391    169.455   29.703    176.759   30.831    34.512  3.2516  35.218  3.3071  -0.7061386     4.637826 
1 1 1 -6  31  6  o 38.102  2.2490  205.722   22.711    191.980   31.558    220.486   32.709    36.736  3.2404  39.468  3.1195  -2.731701      4.497967 
1 1 1 -6  31  7  o 34.396  2.4199  170.918   21.492    133.458   30.098    209.890   30.699    30.228  3.8014  38.564  2.9955  -8.335644      4.839845 
1 1 1 -6  31  8  o 9.1985  2.7597  0.7830    12.282    10.618    17.380    -9.0288   17.359    10.449  4.1526  7.9484  3.6359  2.500260       5.519395 
1 1 1 -6  31  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  31  10 o 8.0259  2.5464  -7.8815   11.639    -17.4729  15.735    3.7068    17.296    6.7066  3.1921  9.3451  3.9682  -2.638451      5.092736 
1 1 1 -6  31  11 o 16.792  3.3564  45.575    15.776    47.021    21.980    44.038    22.656    17.099  4.6682  16.485  4.8239  0.6132622      6.712773 
1 1 1 -6  32  1  o 8.7851  2.2667  -8.5993   10.289    23.509    13.876    -47.8055  15.334    12.650  3.7940  4.9202  2.4812  7.729818       4.533336 
1 1 1 -6  32  2  o 19.418  2.9486  56.539    14.869    49.692    20.242    64.564    21.913    18.081  4.2511  20.755  4.0873  -2.673948      5.897251 
1 1 1 -6  32  3  o 18.400  2.8929  50.863    13.866    47.240    18.894    55.093    20.413    17.686  4.0726  19.114  4.1096  -1.427580      5.785711 
1 1 1 -6  32  4  o 19.041  2.9904  54.705    14.994    40.216    20.490    71.411    22.002    16.147  4.5452  21.934  3.8872  -5.787029      5.980746 
1 1 1 -6  32  5  f 37.223  2.3089  197.955   22.706    178.100   31.523    219.364   32.733    35.185  3.3867  39.261  3.1390  -4.075726      4.617711 
1 1 1 -6  32  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  32  7  o 18.154  3.2210  51.880    15.622    52.447    21.446    51.240    22.802    18.332  4.4193  17.977  4.6872  0.3546810      6.442034 
1 1 1 -6  32  8  o 16.861  3.1746  44.721    14.899    33.112    20.570    57.530    21.608    14.528  4.6635  19.195  4.3085  -4.667242      6.349108 
1 1 1 -6  32  9  o 43.834  2.3999  281.902   27.955    277.165   39.295    286.757   39.778    43.448  3.4038  44.219  3.3842  -0.7704926     4.799854 
1 1 1 -6  33  1  o 24.304  4.0702  88.444    25.559    0.0000    0.0000    88.444    25.559    ?       ?       24.304  4.0702  ?              ?        
1 1 1 -6  33  2  o 9.1939  4.0313  -0.8852   19.018    0.0000    0.0000    -0.8852   19.018    ?       ?       9.1939  4.0313  ?              ?        
1 1 1 -6  33  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  33  4  o 23.532  4.2905  85.026    26.047    0.0000    0.0000    85.026    26.047    ?       ?       23.532  4.2905  ?              ?        
1 1 1 -6  33  5  o 26.524  3.9330  106.188   27.095    0.0000    0.0000    106.188   27.095    ?       ?       26.524  3.9330  ?              ?        
1 1 1 -6  33  6  o 15.027  4.7495  36.453    21.399    0.0000    0.0000    36.453    21.399    ?       ?       15.027  4.7495  ?              ?        
1 1 1 -6  34  1  o 22.891  4.1706  80.512    24.629    80.512    24.629    0.0000    0.0000    22.891  4.1706  ?       ?       ?              ?        
1 1 1 -6  34  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -6  34  3  o 8.3422  3.8896  -13.5450  21.298    0.0000    0.0000    -13.5450  21.298    ?       ?       8.3422  3.8896  ?              ?        
1 1 1 -5  -35 11 o 14.491  3.4533  31.577    15.697    41.165    24.859    25.218    20.244    15.912  5.1286  13.069  4.6258  2.843875       6.906583 
1 1 1 -5  -35 12 f 20.996  3.2688  69.446    17.756    72.486    27.055    67.146    23.533    21.241  4.8606  20.751  4.3719  0.4898129      6.537513 
1 1 1 -5  -35 13 o 20.154  3.2484  62.619    17.343    87.090    26.390    44.016    23.009    23.775  4.3024  16.533  4.8681  7.242290       6.496847 
1 1 1 -5  -35 14 o 9.0861  2.7862  1.4843    12.340    -5.7915   21.033    5.3038    15.239    9.0595  4.0877  9.1126  3.7871  -0.5312252E-01 5.572319 
1 1 1 -5  -35 15 o 12.960  2.9708  8.8135    14.116    55.513    24.299    -14.9727  17.342    18.577  4.8362  7.3436  3.4516  11.23325       5.941583 
1 1 1 -5  -35 16 o 16.484  3.5163  44.426    17.002    37.013    26.173    49.839    22.363    15.282  5.2700  17.685  4.6568  -2.403013      7.032660 
1 1 1 -5  -35 17 o 28.922  2.8824  126.730   21.624    121.643   31.416    131.309   29.808    28.186  4.2973  29.659  3.8426  -1.473206      5.764754 
1 1 1 -5  -35 18 o 24.043  3.2402  91.001    20.016    86.134    29.492    95.158    27.254    23.181  4.9031  24.906  4.2372  -1.724972      6.480329 
1 1 1 -5  -35 19 o 18.008  3.5549  54.481    18.629    36.191    28.019    68.974    24.940    15.139  5.4332  20.876  4.5858  -5.736381      7.109744 
1 1 1 -5  -35 20 o 9.9987  3.0559  0.9251    15.772    -17.5645  25.276    12.716    20.184    8.9474  4.1930  11.050  4.4466  -2.102567      6.111751 
1 1 1 -5  -35 21 o 18.352  3.6630  57.280    19.252    44.061    29.059    67.621    25.702    16.240  5.5550  20.464  4.7762  -4.223625      7.325984 
1 1 1 -5  -35 22 o 21.387  3.5960  75.191    20.348    87.699    29.875    64.367    27.791    23.187  4.9603  19.586  5.2076  3.600447       7.191930 
1 1 1 -5  -35 23 o 24.591  3.4693  96.914    22.175    146.288   33.563    58.663    29.542    30.797  4.1765  18.384  5.5408  12.41319       6.938589 
1 1 1 -5  -35 24 o 12.375  3.2072  12.702    17.955    -32.4516  28.033    44.110    23.379    8.4894  4.0971  16.262  4.9354  -7.772237      6.414443 
1 1 1 -5  -35 25 o 32.821  3.0165  168.874   25.835    166.333   37.427    171.186   35.707    32.406  4.4278  33.237  4.0977  -0.8302917     6.032933 
1 1 1 -5  -35 26 o 39.275  2.7174  236.583   28.149    228.066   40.551    244.504   39.107    38.382  4.0033  40.167  3.6756  -1.784924      5.434789 
1 1 1 -5  -34 5  o 38.088  2.3785  208.997   23.944    230.229   35.356    191.010   32.542    39.896  3.3394  36.280  3.3880  3.615337       4.757092 
1 1 1 -5  -34 6  o 32.335  2.5859  153.247   21.939    154.006   32.243    152.593   29.937    32.303  3.7992  32.368  3.5092  -0.6557465E-01 5.171881 
1 1 1 -5  -34 7  o 19.970  3.2438  61.982    16.848    63.058    25.827    61.186    22.230    19.953  4.8742  19.986  4.2815  -0.3271484E-01 6.487584 
1 1 1 -5  -34 8  o 25.966  2.7706  100.094   18.490    99.212    27.969    100.778   24.644    25.672  4.2137  26.260  3.5984  -0.5879669     5.541114 
1 1 1 -5  -34 9  o 33.739  2.4719  164.243   21.987    169.599   32.067    159.492   30.206    34.223  3.5499  33.254  3.4410  0.9692993      4.943889 
1 1 1 -5  -34 10 o 16.050  2.9633  41.247    14.766    11.254    22.846    62.765    19.350    11.447  4.6846  20.653  3.6305  -9.206229      5.926696 
1 1 1 -5  -34 11 o 19.875  3.2062  60.634    16.597    62.469    25.065    59.202    22.148    20.035  4.7442  19.715  4.3141  0.3198204      6.412386 
1 1 1 -5  -34 12 o 23.832  3.0145  84.781    18.254    117.122   27.168    58.164    24.647    28.359  3.6621  19.305  4.7894  9.053812       6.029068 
1 1 1 -5  -34 13 o 22.994  2.9840  80.304    17.513    72.808    26.276    86.296    23.492    21.736  4.6538  24.253  3.7363  -2.517235      5.968013 
1 1 1 -5  -34 14 o 29.963  3.0172  134.338   23.340    137.141   31.437    130.895   34.840    30.539  3.9348  29.386  4.5752  1.152702       6.034490 
1 1 1 -5  -34 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -34 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -34 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -34 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -34 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -34 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -34 21 o 41.289  3.0304  262.989   31.447    300.766   41.501    212.057   48.188    45.690  3.4159  36.889  5.0064  8.800903       6.060751 
1 1 1 -5  -34 22 o 19.965  3.5345  63.399    19.572    88.498    28.499    40.993    26.927    23.877  4.6231  16.054  5.3475  7.823460       7.068906 
1 1 1 -5  -34 23 o 35.109  2.7156  182.595   25.059    172.523   35.719    192.357   35.164    34.012  3.9971  36.206  3.6770  -2.194229      5.431121 
1 1 1 -5  -34 24 o 26.903  3.2486  112.345   22.144    148.177   32.385    80.881    30.347    31.505  3.9227  22.302  5.1794  9.203123       6.497229 
1 1 1 -5  -34 25 o 20.772  3.5597  69.952    19.536    72.991    29.021    67.434    26.418    21.091  5.1758  20.454  4.8886  0.6375523      7.119489 
1 1 1 -5  -34 26 o 9.8346  3.1254  -5.0616   17.433    -14.5293  25.754    2.9440    23.682    9.2580  4.3034  10.411  4.5335  -1.153129      6.250731 
1 1 1 -5  -34 27 o 47.805  2.5639  338.567   32.584    340.140   46.120    337.000   46.043    47.924  3.6196  47.686  3.6322  0.2385406      5.127769 
1 1 1 -5  -34 28 o 20.660  3.7222  72.429    20.676    77.473    29.590    67.616    28.903    21.436  5.2055  19.884  5.3217  1.551237       7.444328 
1 1 1 -5  -34 29 o 9.7163  3.0846  -2.1697   16.515    -4.0579   25.723    -0.8457   21.540    9.9422  4.5000  9.4905  4.2199  0.4517469      6.169133 
1 1 1 -5  -34 30 o 12.938  3.5650  23.145    19.000    4.4763    29.209    36.838    25.016    11.127  4.9325  14.748  5.1485  -3.621387      7.129917 
1 1 1 -5  -34 31 o 11.644  3.4650  13.976    18.765    3.7115    28.013    22.331    25.273    10.788  4.8037  12.501  4.9949  -1.713190      6.929993 
1 1 1 -5  -33 1  o 29.619  2.5857  128.237   19.980    144.752   29.193    113.684   27.404    31.518  3.5181  27.719  3.7903  3.798510       5.171432 
1 1 1 -5  -33 2  o 46.323  2.2515  305.901   27.742    301.522   39.829    310.026   38.664    45.934  3.2583  46.712  3.1080  -0.7771683     4.502944 
1 1 1 -5  -33 3  o 30.990  2.5051  138.945   20.364    140.046   29.923    137.995   27.792    31.021  3.6726  30.959  3.4080  0.6193352E-01  5.010241 
1 1 1 -5  -33 4  f 19.295  2.9971  55.748    14.977    62.063    22.768    50.930    19.886    20.224  4.3335  18.366  4.1413  1.857798       5.994153 
1 1 1 -5  -33 5  o 18.465  2.9455  54.804    15.659    18.527    23.139    85.454    21.269    12.551  4.8489  24.380  3.3453  -11.82848      5.890936 
1 1 1 -5  -33 6  o 8.4383  2.6190  -7.3500   10.849    9.6052    19.436    -15.0250  13.076    10.724  4.3464  6.1527  2.9231  4.571193       5.237918 
1 1 1 -5  -33 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -33 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -33 9  o 7.7849  2.5384  -12.7239  11.643    -2.9317   19.737    -17.9499  14.418    9.2312  4.0751  6.3387  3.0276  2.892421       5.076724 
1 1 1 -5  -33 10 o 37.082  2.3724  197.125   23.005    169.676   33.190    222.508   31.917    34.356  3.6631  39.808  3.0157  -5.451714      4.744801 
1 1 1 -5  -33 11 o 12.628  3.2008  21.129    13.577    22.448    21.256    20.221    17.647    13.006  4.7234  12.250  4.3207  0.7565832      6.401508 
1 1 1 -5  -33 12 o 20.467  2.9512  64.368    15.504    49.664    23.285    76.076    20.779    17.975  4.7609  22.959  3.4887  -4.984482      5.902331 
1 1 1 -5  -33 13 o 22.836  3.0356  77.913    17.847    77.740    26.152    78.063    24.416    22.725  4.4557  22.948  4.1238  -0.2231522     6.071180 
1 1 1 -5  -33 14 o 53.979  2.2423  410.497   32.258    427.676   45.868    393.684   45.375    55.144  3.1182  52.815  3.2230  2.329041       4.484528 
1 1 1 -5  -33 15 o 36.041  2.4370  185.434   23.221    194.327   33.093    176.809   32.592    36.938  3.3823  35.143  3.5093  1.795383       4.873955 
1 1 1 -5  -33 16 o 38.367  2.4110  209.989   24.491    200.071   34.666    219.872   34.605    37.393  3.5020  39.341  3.3149  -1.947308      4.822091 
1 1 1 -5  -33 17 o 16.274  3.5238  40.176    16.975    49.640    24.836    31.879    23.253    17.848  4.9972  14.701  4.9695  3.147161       7.047516 
1 1 1 -5  -33 18 o 24.040  3.1452  89.638    19.180    58.704    27.345    119.593   26.909    19.295  5.1816  28.785  3.5666  -9.489845      6.290373 
1 1 1 -5  -33 19 o 32.362  2.6084  152.135   22.105    141.889   31.796    161.719   30.752    31.157  3.8951  33.566  3.4705  -2.409128      5.216894 
1 1 1 -5  -33 20 o 8.7685  2.7620  -7.6269   12.674    6.0630    21.388    -15.0345  15.733    10.578  4.4476  6.9594  3.2761  3.618260       5.523994 
1 1 1 -5  -33 21 o 20.672  3.4232  69.115    18.904    48.875    28.708    84.609    25.119    17.512  5.4965  23.832  4.0819  -6.319496      6.846450 
1 1 1 -5  -33 22 o 19.718  3.5067  62.143    18.784    48.548    27.549    73.955    25.679    17.452  5.3693  21.984  4.5121  -4.532024      7.013431 
1 1 1 -5  -33 23 o 10.424  3.0727  -2.0662   14.957    22.970    24.042    -17.8736  19.103    13.220  4.9828  7.6287  3.5969  5.591313       6.145426 
1 1 1 -5  -33 24 o 34.658  2.6584  175.471   24.074    202.249   34.710    150.651   33.417    37.412  3.5046  31.904  3.9983  5.507915       5.316860 
1 1 1 -5  -33 25 o 10.935  3.3085  5.2883    17.213    3.4387    25.523    6.8313    23.313    10.937  4.7344  10.933  4.6228  0.3701210E-02  6.616968 
1 1 1 -5  -33 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -33 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -33 28 o 36.357  3.0990  203.913   28.847    216.340   38.117    187.253   44.133    38.243  3.7702  34.471  4.9196  3.772057       6.198097 
1 1 1 -5  -33 29 o 16.921  3.7820  47.643    19.171    46.690    28.425    48.438    25.964    16.728  5.4906  17.114  5.2027  -0.3859100     7.564026 
1 1 1 -5  -33 30 o 34.695  2.8297  183.146   25.631    167.205   36.841    198.101   35.683    32.935  4.2772  36.455  3.7060  -3.519367      5.659409 
1 1 1 -5  -33 31 o 16.694  3.7838  46.132    19.604    63.217    29.226    32.157    26.433    19.109  5.4457  14.280  5.2548  4.829033       7.567647 
1 1 1 -5  -33 32 o 18.232  3.9210  59.553    20.972    53.927    31.611    63.976    28.030    17.265  5.7943  19.199  5.2841  -1.934776      7.841926 
1 1 1 -5  -33 33 o 15.805  3.6969  43.527    19.764    22.038    29.157    61.794    26.883    12.839  5.2777  18.771  5.1783  -5.932035      7.393893 
1 1 1 -5  -33 34 o 16.426  3.9178  50.006    20.429    56.580    30.114    44.402    27.806    17.276  5.6504  15.576  5.4285  1.699841       7.835522 
1 1 1 -5  -32 1  o 17.885  3.1244  49.431    15.010    39.839    22.392    57.258    20.228    16.138  4.8150  19.632  3.9829  -3.494099      6.248811 
1 1 1 -5  -32 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -32 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -32 4  o 39.329  2.2231  216.980   23.154    240.092   33.551    195.966   31.993    41.391  3.0478  37.268  3.2372  4.123035       4.446143 
1 1 1 -5  -32 5  o 29.721  2.3928  126.065   18.611    119.304   27.111    132.090   25.593    28.853  3.5854  30.589  3.1697  -1.736326      4.785576 
1 1 1 -5  -32 6  o 10.330  3.0230  6.5978    13.627    2.3941    21.160    9.5766    17.813    10.181  4.3576  10.480  4.1912  -0.2985725     6.046091 
1 1 1 -5  -32 7  o 38.783  2.2693  211.674   23.340    213.701   33.811    209.829   32.259    38.924  3.2734  38.643  3.1439  0.2810516      4.538689 
1 1 1 -5  -32 8  o 25.252  2.6917  92.886    17.492    86.833    25.817    98.023    23.783    24.321  4.1096  26.182  3.4774  -1.861010      5.383408 
1 1 1 -5  -32 9  o 24.515  2.7067  86.483    17.055    103.380   25.258    72.323    23.122    26.842  3.6041  22.189  4.0393  4.652973       5.413489 
1 1 1 -5  -32 10 o 7.5148  2.4161  -6.3865   10.026    -9.4416   17.685    -4.9395   12.171    8.0730  3.6840  6.9567  3.1269  1.116309       4.832104 
1 1 1 -5  -32 11 o 10.124  2.9367  6.9170    12.498    7.2965    19.939    6.6715    16.040    10.568  4.3566  9.6794  3.9391  0.8884687      5.873404 
1 1 1 -5  -32 12 o 20.084  3.1148  61.002    16.287    53.165    23.936    67.760    22.227    18.689  4.7666  21.480  4.0108  -2.790716      6.229551 
1 1 1 -5  -32 13 o 12.387  3.1630  17.202    13.870    31.001    21.225    6.9187    18.323    14.578  4.7425  10.196  4.1866  4.382831       6.326018 
1 1 1 -5  -32 14 f 28.213  2.7227  115.465   19.575    143.998   28.226    89.025    27.171    31.876  3.3565  24.550  4.2881  7.325396       5.445490 
1 1 1 -5  -32 15 o 22.635  2.9628  75.403    17.277    83.214    25.183    68.456    23.748    23.808  4.0968  21.462  4.2812  2.346249       5.925599 
1 1 1 -5  -32 16 o 46.162  2.2712  299.539   27.876    283.074   39.209    316.369   39.641    44.821  3.2889  47.502  3.1332  -2.680931      4.542444 
1 1 1 -5  -32 17 o 52.349  2.2513  384.855   31.407    393.665   44.250    375.911   44.583    52.994  3.1314  51.704  3.2355  1.289845       4.502653 
1 1 1 -5  -32 18 o 33.071  2.4922  156.195   21.611    175.102   30.911    138.117   30.226    35.160  3.3216  30.983  3.7164  4.177343       4.984430 
1 1 1 -5  -32 19 o 39.354  2.3701  219.353   24.717    232.758   35.365    206.552   34.560    40.580  3.2818  38.128  3.4204  2.451786       4.740141 
1 1 1 -5  -32 20 o 29.179  2.7622  123.687   21.017    132.123   30.317    115.881   29.163    30.188  3.8359  28.169  3.9756  2.018620       5.524481 
1 1 1 -5  -32 21 o 38.999  2.4352  216.816   25.163    224.347   35.629    209.321   35.543    39.722  3.3809  38.277  3.5057  1.444164       4.870413 
1 1 1 -5  -32 22 o 28.275  2.9910  120.730   21.253    90.049    30.466    149.817   29.664    24.220  4.8652  32.330  3.4804  -8.110407      5.981943 
1 1 1 -5  -32 23 o 35.151  2.5693  178.233   23.813    169.155   33.579    187.416   33.775    34.178  3.7285  36.124  3.5360  -1.945843      5.138565 
1 1 1 -5  -32 24 o 26.808  3.0200  107.518   20.913    100.384   29.683    114.551   29.470    25.788  4.4587  27.828  4.0745  -2.040285      6.040055 
1 1 1 -5  -32 25 o 29.002  2.8833  124.634   21.690    137.440   31.007    112.364   30.352    30.616  3.8675  27.388  4.2774  3.227583       5.766583 
1 1 1 -5  -32 26 o 14.016  3.5046  28.276    16.494    32.802    23.643    23.986    23.022    14.755  5.0108  13.278  4.9011  1.476717       7.009244 
1 1 1 -5  -32 27 f 17.135  3.5792  47.209    17.978    35.945    26.793    56.433    24.246    15.328  5.3295  18.942  4.7791  -3.613448      7.158393 
1 1 1 -5  -32 28 o 24.364  3.2339  91.638    20.321    89.140    28.994    94.049    28.488    23.951  4.6874  24.777  4.4565  -0.8262520     6.467784 
1 1 1 -5  -32 29 o 13.515  3.2495  15.355    17.054    54.261    25.873    -14.5351  22.677    18.330  5.0892  8.6998  4.0420  9.629667       6.499022 
1 1 1 -5  -32 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -32 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -32 32 o 22.388  3.5863  82.054    20.962    83.588    30.830    80.736    28.587    22.462  5.2233  22.314  4.9158  0.1480980      7.172667 
1 1 1 -5  -32 33 o 33.597  2.8186  171.882   24.836    172.143   36.001    171.645   34.306    33.511  4.0961  33.682  3.8731  -0.1705742     5.637259 
1 1 1 -5  -32 34 o 15.551  3.6675  40.802    19.092    22.809    28.423    55.594    25.771    13.055  5.2684  18.047  5.1035  -4.992131      7.334989 
1 1 1 -5  -32 35 o 28.260  3.1485  129.098   22.896    122.252   33.530    135.079   31.341    27.199  4.7768  29.321  4.1030  -2.122707      6.297019 
1 1 1 -5  -32 36 o 11.598  3.4170  13.743    18.266    0.1490    26.090    26.810    25.580    10.152  4.5692  13.044  5.0820  -2.892466      6.833989 
1 1 1 -5  -31 1  o 6.9126  2.2573  -9.4015   9.3047    -7.2732   15.587    -10.5799  11.598    7.7216  3.4982  6.1036  2.8539  1.617924       4.514698 
1 1 1 -5  -31 2  f 23.554  2.6812  80.180    16.316    86.714    23.681    74.275    22.513    24.513  3.7239  22.594  3.8585  1.918892       5.362389 
1 1 1 -5  -31 3  o 28.278  2.4593  113.269   18.068    133.357   26.494    95.804    24.704    30.735  3.2684  25.822  3.6755  4.913090       4.918528 
1 1 1 -5  -31 4  f 54.149  2.1457  408.235   30.988    418.898   44.431    398.135   43.240    54.837  3.0368  53.460  3.0322  1.376919       4.291460 
1 1 1 -5  -31 5  o 28.062  2.4161  111.439   17.762    118.532   25.869    105.113   24.430    28.920  3.4048  27.204  3.4289  1.716639       4.832227 
1 1 1 -5  -31 6  o 30.132  2.3881  127.682   18.809    147.943   27.586    110.079   25.713    32.450  3.2162  27.814  3.5310  4.636215       4.776153 
1 1 1 -5  -31 7  o 23.109  2.7996  77.550    16.640    77.043    24.616    77.976    22.579    22.950  4.1577  23.268  3.7505  -0.3177280     5.599283 
1 1 1 -5  -31 8  o 14.582  3.1805  30.520    13.545    34.563    20.824    27.555    17.834    15.326  4.6593  13.837  4.3305  1.489460       6.360992 
1 1 1 -5  -31 9  f 40.271  2.1857  225.387   23.167    267.633   33.730    187.658   31.875    43.955  2.8809  36.587  3.2878  7.368755       4.371407 
1 1 1 -5  -31 10 o 15.637  3.1299  35.893    13.568    37.206    21.033    34.956    17.756    15.862  4.6498  15.412  4.1908  0.4496460      6.259704 
1 1 1 -5  -31 11 o 9.8729  2.8435  6.7000    11.749    2.7257    18.797    9.2484    15.052    9.7914  4.1460  9.9544  3.8927  -0.1630802     5.687047 
1 1 1 -5  -31 12 o 57.487  2.1594  458.180   33.118    474.705   47.099    442.021   46.576    58.540  3.0140  56.434  3.0931  2.105938       4.318715 
1 1 1 -5  -31 13 o 28.016  2.5312  111.281   18.545    116.941   26.494    105.843   25.968    28.752  3.5133  27.281  3.6449  1.470943       5.062470 
1 1 1 -5  -31 14 o 27.924  2.5866  111.366   18.358    141.792   26.552    83.502    25.410    31.851  3.1538  23.996  4.1006  7.854334       5.173141 
1 1 1 -5  -31 15 o 45.217  2.1983  284.287   26.462    283.859   37.330    284.719   37.517    45.186  3.1031  45.249  3.1145  -0.6268311E-01 4.396519 
1 1 1 -5  -31 16 o 30.435  2.5370  132.218   19.729    165.587   28.282    100.589   27.535    34.457  3.0975  26.413  4.0188  8.043959       5.073927 
1 1 1 -5  -31 17 o 38.382  2.3035  206.509   23.390    220.964   32.887    191.714   33.272    39.825  3.1077  36.938  3.4011  2.887032       4.607054 
1 1 1 -5  -31 18 o 19.541  3.1526  58.204    16.515    37.434    23.888    77.220    22.857    15.939  5.0157  23.143  3.8206  -7.204205      6.305144 
1 1 1 -5  -31 19 o 11.255  3.1580  9.4339    14.462    20.275    21.737    0.8246    19.371    12.847  4.7583  9.6632  4.1535  3.183418       6.316082 
1 1 1 -5  -31 20 o 21.265  3.1596  67.032    17.566    91.784    25.741    45.459    24.030    25.182  3.9458  17.348  4.9360  7.834793       6.319290 
1 1 1 -5  -31 21 o 39.461  2.2819  219.046   23.809    238.717   33.574    199.146   33.769    41.351  3.0528  37.570  3.3923  3.780952       4.563710 
1 1 1 -5  -31 22 o 24.046  3.0407  86.892    18.503    116.923   26.402    57.904    25.939    28.636  3.5161  19.456  4.9620  9.179928       6.081481 
1 1 1 -5  -31 23 o 46.312  2.2726  301.372   27.966    279.238   39.146    324.441   39.965    44.505  3.3076  48.119  3.1175  -3.614727      4.545245 
1 1 1 -5  -31 24 o 68.186  2.2963  652.777   41.926    654.540   58.645    650.935   59.960    68.321  3.2047  68.050  3.2896  0.2704315      4.592580 
1 1 1 -5  -31 25 o 34.174  2.5080  167.452   22.506    185.981   32.071    149.473   31.591    36.174  3.3480  32.175  3.7353  3.998993       5.016068 
1 1 1 -5  -31 26 o 27.287  2.8829  109.738   20.354    121.116   29.190    98.969    28.397    28.797  3.8834  25.778  4.2618  3.019613       5.765720 
1 1 1 -5  -31 27 o 18.968  3.3787  56.381    17.868    35.839    25.349    76.666    25.190    15.392  5.1886  22.544  4.3290  -7.152259      6.757402 
1 1 1 -5  -31 28 o 28.772  2.9120  122.666   21.710    137.527   31.524    109.258   29.943    30.563  3.9429  26.982  4.2865  3.580580       5.824090 
1 1 1 -5  -31 29 o 9.6274  2.9324  -7.4216   14.873    16.403    22.179    -26.8913  20.050    12.027  4.7191  7.2273  3.4824  4.800077       5.864871 
1 1 1 -5  -31 30 o 19.876  3.4109  61.144    18.273    83.331    27.453    43.497    24.484    23.213  4.5781  16.538  5.0574  6.675085       6.821770 
1 1 1 -5  -31 31 o 32.071  2.7912  153.197   23.402    149.769   34.039    156.269   32.227    31.588  4.1214  32.555  3.7653  -0.9669952     5.582421 
1 1 1 -5  -31 32 o 41.648  2.4445  251.660   26.987    269.416   39.006    235.357   37.377    43.110  3.4058  40.187  3.5075  2.922455       4.889008 
1 1 1 -5  -31 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -31 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -31 35 o 15.538  3.4214  35.449    18.910    1.7107    26.899    68.412    26.588    10.727  4.7454  20.349  4.9300  -9.621938      6.842767 
1 1 1 -5  -31 36 o 25.057  3.3537  103.407   21.559    84.858    30.782    121.268   30.205    22.273  5.2461  27.841  4.1795  -5.567680      6.707494 
1 1 1 -5  -31 37 o 36.961  2.7661  212.929   26.574    182.278   37.930    242.477   37.241    33.832  4.2815  40.090  3.5033  -6.258415      5.532122 
1 1 1 -5  -31 38 o 19.151  3.9098  68.792    21.174    68.992    30.006    68.594    29.884    19.174  5.5347  19.128  5.5239  0.4570580E-01  7.819627 
1 1 1 -5  -30 1  o 13.522  3.0796  26.052    12.650    24.988    18.987    26.902    16.964    13.389  4.4907  13.655  4.2153  -0.2661219     6.159185 
1 1 1 -5  -30 2  o 13.682  2.9549  26.623    12.403    15.523    17.941    36.784    17.167    11.553  4.3143  15.811  4.0389  -4.257995      5.909792 
1 1 1 -5  -30 3  o 34.002  2.2324  161.059   20.035    178.537   29.084    145.275   27.639    35.807  3.0620  32.197  3.2494  3.610176       4.464804 
1 1 1 -5  -30 4  o 41.588  2.1150  239.479   23.387    250.217   33.706    229.510   32.478    42.495  2.9801  40.681  3.0019  1.814648       4.229909 
1 1 1 -5  -30 5  o 46.276  2.0846  295.881   25.689    298.404   37.012    293.536   35.684    46.446  2.9910  46.106  2.9044  0.3398933      4.169118 
1 1 1 -5  -30 6  o 13.248  2.9143  22.562    11.682    36.203    18.436    13.410    15.101    15.731  4.2673  10.766  3.9703  4.965307       5.828644 
1 1 1 -5  -30 7  o 46.072  2.1166  293.170   25.952    290.311   37.406    295.824   36.037    45.821  3.0655  46.323  2.9194  -0.5022926     4.233228 
1 1 1 -5  -30 8  o 38.005  2.1774  199.710   21.956    206.643   31.857    193.436   30.302    38.626  3.1055  37.384  3.0529  1.241295       4.354744 
1 1 1 -5  -30 9  o 29.020  2.3595  117.785   17.978    116.679   26.052    118.791   24.840    28.851  3.4391  29.189  3.2314  -0.3378010     4.719054 
1 1 1 -5  -30 10 o 27.261  2.3987  104.542   17.035    98.913    24.925    109.476   23.335    26.483  3.6077  28.039  3.1623  -1.556162      4.797495 
1 1 1 -5  -30 11 o 13.937  3.2595  26.578    14.110    28.657    20.978    24.860    19.067    14.368  4.7168  13.505  4.5000  0.8627577      6.519056 
1 1 1 -5  -30 12 o 14.067  3.1411  25.324    13.681    41.054    21.125    13.959    17.956    16.753  4.5777  11.382  4.3023  5.370632       6.282112 
1 1 1 -5  -30 13 o 9.6630  2.7615  5.1771    10.776    11.751    17.837    1.3989    13.522    10.992  4.2544  8.3341  3.5220  2.657910       5.523050 
1 1 1 -5  -30 14 o 19.234  3.0671  54.008    15.430    50.804    21.979    57.122    21.667    18.627  4.4636  19.840  4.2077  -1.212851      6.134196 
1 1 1 -5  -30 15 o 58.533  2.1527  471.714   33.632    474.671   47.379    468.710   47.748    58.730  3.0221  58.336  3.0666  0.3940353      4.305444 
1 1 1 -5  -30 16 o 36.092  2.2756  180.855   21.683    162.516   30.363    199.940   30.974    34.154  3.3627  38.031  3.0667  -3.877438      4.551127 
1 1 1 -5  -30 17 o 40.203  2.2103  223.791   23.597    230.277   33.159    217.136   33.589    40.826  3.0545  39.581  3.1955  1.245331       4.420509 
1 1 1 -5  -30 18 o 54.364  2.1561  407.351   31.259    396.704   43.545    418.671   44.901    53.632  3.0438  55.096  3.0546  -1.463482      4.312224 
1 1 1 -5  -30 19 o 43.139  2.2099  258.039   25.309    274.529   35.674    241.329   35.912    44.588  3.0046  41.689  3.2416  2.898815       4.419860 
1 1 1 -5  -30 20 o 58.196  2.1725  467.563   33.731    452.096   46.997    483.995   48.441    57.198  3.0790  59.194  3.0658  -1.996468      4.345000 
1 1 1 -5  -30 21 o 28.878  2.6592  119.089   19.892    104.913   28.486    132.580   27.790    27.035  4.0592  30.720  3.4362  -3.685011      5.318308 
1 1 1 -5  -30 22 o 27.393  2.6791  106.966   19.126    110.012   27.182    103.979   26.916    27.804  3.7452  26.983  3.8318  0.8209953      5.358129 
1 1 1 -5  -30 23 o 29.941  2.6199  128.763   19.988    159.974   28.442    98.305    28.097    33.836  3.1755  26.046  4.1679  7.789597       5.239750 
1 1 1 -5  -30 24 o 24.283  2.8482  85.874    17.655    104.979   25.323    67.806    24.627    27.168  3.5661  21.399  4.4421  5.769157       5.696461 
1 1 1 -5  -30 25 o 25.450  2.8212  93.846    18.582    95.357    26.939    92.474    25.666    25.615  4.0620  25.285  3.9163  0.3293285      5.642446 
1 1 1 -5  -30 26 o 33.641  2.5858  163.712   22.305    127.473   31.724    199.138   31.366    29.603  4.1121  37.680  3.1364  -8.077171      5.171658 
1 1 1 -5  -30 27 o 52.626  2.2481  388.879   31.540    387.395   44.628    390.361   44.580    52.519  3.1876  52.733  3.1710  -0.2138481     4.496220 
1 1 1 -5  -30 28 o 18.625  3.2920  52.752    16.611    66.685    24.127    40.197    22.904    21.029  4.4237  16.222  4.8764  4.807241       6.583928 
1 1 1 -5  -30 29 o 24.540  2.9279  89.219    18.533    96.836    26.970    82.404    25.510    25.587  4.0716  23.492  4.2087  2.095238       5.855873 
1 1 1 -5  -30 30 o 26.964  2.8517  107.469   19.941    114.300   28.914    101.272   27.538    27.815  3.9957  26.114  4.0698  1.701372       5.703427 
1 1 1 -5  -30 31 o 18.178  3.0953  52.062    17.416    11.838    25.245    88.594    24.059    11.855  4.8962  24.502  3.7882  -12.64650      6.190546 
1 1 1 -5  -30 32 o 9.2868  2.9250  -5.1200   14.777    3.5617    21.971    -12.2924  19.970    10.298  4.4249  8.2753  3.8266  2.023013       5.849980 
1 1 1 -5  -30 33 o 13.693  3.3564  22.058    16.724    48.544    25.068    0.8136    22.450    17.334  5.0747  10.051  4.3944  7.282928       6.712894 
1 1 1 -5  -30 34 o 24.670  3.3579  98.659    21.131    72.590    30.965    121.381   28.908    20.852  5.4744  28.488  3.8902  -7.635872      6.715864 
1 1 1 -5  -30 35 o 16.109  6.8297  35.608    51.110    0.0000    0.0000    35.608    51.110    ?       ?       16.109  6.8297  ?              ?        
1 1 1 -5  -30 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -30 37 o 31.014  2.8266  147.251   22.857    161.538   32.904    133.929   31.774    32.626  3.8387  29.402  4.1500  3.224247       5.653155 
1 1 1 -5  -30 38 o 8.3527  2.7895  -19.5064  16.619    -31.1468  23.998    -8.7791   23.037    7.6970  3.7335  9.0084  4.1456  -1.311424      5.578989 
1 1 1 -5  -30 39 o 24.062  3.5695  99.581    22.248    106.709   32.494    93.290    30.525    24.899  5.0451  23.224  5.0509  1.674425       7.138948 
1 1 1 -5  -30 40 o 13.409  3.3079  19.310    18.969    62.337    26.847    -23.5854  26.806    18.344  5.2165  8.4743  4.0691  9.870132       6.615842 
1 1 1 -5  -29 1  o 30.553  2.2010  129.886   17.756    133.300   25.414    126.630   24.818    30.951  3.1076  30.155  3.1177  0.7954769      4.401926 
1 1 1 -5  -29 2  o 21.106  2.6680  63.698    14.520    65.687    20.998    61.875    20.101    21.420  3.7990  20.792  3.7472  0.6285019      5.336048 
1 1 1 -5  -29 3  o 43.121  2.1075  256.069   24.143    277.852   34.629    235.469   33.676    44.947  2.8918  41.294  3.0666  3.652584       4.215033 
1 1 1 -5  -29 4  o 35.727  2.1668  176.533   20.507    170.305   29.355    182.468   28.659    35.073  3.1587  36.381  2.9668  -1.308220      4.333527 
1 1 1 -5  -29 5  o 36.393  2.1431  182.604   20.699    184.359   29.524    180.906   29.028    36.562  3.0424  36.224  3.0193  0.3383255      4.286280 
1 1 1 -5  -29 6  o 51.619  2.0556  364.982   28.295    379.030   40.524    351.619   39.525    52.598  2.8875  50.639  2.9265  1.958679       4.111200 
1 1 1 -5  -29 7  o 17.554  2.8385  44.147    12.989    46.997    19.582    41.908    17.357    18.037  4.1408  17.071  3.8836  0.9663677      5.677024 
1 1 1 -5  -29 8  o 77.539  2.2269  822.976   46.201    875.310   66.050    772.839   64.648    79.988  3.0829  75.091  3.2143  4.896599       4.453733 
1 1 1 -5  -29 9  o 61.541  2.1104  517.058   34.778    534.017   49.598    500.654   48.778    62.543  2.9607  60.539  3.0082  2.003780       4.220774 
1 1 1 -5  -29 10 o 21.598  2.7493  66.780    15.103    89.875    21.892    45.807    20.862    25.411  3.2939  17.784  4.4029  7.627018       5.498680 
1 1 1 -5  -29 11 o 16.301  3.0300  37.525    13.570    48.911    20.179    28.126    18.335    18.423  4.1845  14.178  4.3833  4.245140       6.059953 
1 1 1 -5  -29 12 o 11.398  3.0596  12.755    12.922    18.240    19.245    8.2524    17.438    12.392  4.4953  10.404  4.1517  1.987437       6.119197 
1 1 1 -5  -29 13 o 49.817  2.1000  340.518   27.802    368.724   39.160    311.852   39.477    51.961  2.8243  47.674  3.1085  4.286480       4.199957 
1 1 1 -5  -29 14 o 81.007  2.2675  898.128   49.191    917.383   69.619    878.930   69.515    81.892  3.1739  80.122  3.2392  1.769554       4.534987 
1 1 1 -5  -29 15 o 52.363  2.1187  375.799   29.558    391.077   41.510    360.085   42.100    53.480  2.9088  51.246  3.0814  2.233524       4.237445 
1 1 1 -5  -29 16 o 19.152  2.9861  52.822    14.909    56.197    21.351    49.610    20.828    19.772  4.1631  18.532  4.2821  1.240704       5.972260 
1 1 1 -5  -29 17 o 15.623  3.2126  34.831    14.877    21.289    21.605    47.041    20.515    13.216  4.7677  18.030  4.3071  -4.813876      6.425141 
1 1 1 -5  -29 18 o 46.648  2.0981  298.375   26.077    295.067   36.799    301.712   36.959    46.383  2.9777  46.912  2.9565  -0.5292931     4.196157 
1 1 1 -5  -29 19 f 77.026  2.2346  813.128   46.100    803.295   64.813    823.198   65.586    76.555  3.1608  77.498  3.1596  -0.9432526     4.469202 
1 1 1 -5  -29 20 o 54.714  2.1320  411.110   31.104    416.793   43.430    405.127   44.567    55.131  2.9517  54.297  3.0771  0.8341484      4.263930 
1 1 1 -5  -29 21 o 16.484  3.2060  39.000    15.398    55.909    21.793    22.145    21.758    19.637  4.2655  13.332  4.7875  6.305323       6.412085 
1 1 1 -5  -29 22 f 24.737  2.7803  88.507    17.378    65.400    24.572    111.630   24.581    21.186  4.4706  28.287  3.3066  -7.101023      5.560613 
1 1 1 -5  -29 23 o 39.225  2.2366  213.261   23.217    192.763   32.592    234.380   33.082    37.241  3.3016  41.209  3.0181  -3.968124      4.473178 
1 1 1 -5  -29 24 o 27.759  2.5655  108.760   18.612    112.484   26.599    105.188   26.053    28.243  3.5978  27.276  3.6583  0.9672585      5.130983 
1 1 1 -5  -29 25 o 30.269  2.4914  129.067   19.731    142.956   28.191    115.732   27.624    31.957  3.3430  28.581  3.6950  3.375734       4.982806 
1 1 1 -5  -29 26 o 50.403  2.1708  352.345   29.154    342.572   41.341    362.015   41.121    49.675  3.1230  51.130  3.0160  -1.455101      4.341541 
1 1 1 -5  -29 27 o 18.898  3.0312  52.501    16.139    86.691    23.478    21.873    22.221    24.617  3.6731  13.179  4.8228  11.43757       6.062311 
1 1 1 -5  -29 28 o 8.7871  2.7708  -6.8993   13.530    -15.9811  19.595    1.3766    18.706    8.0075  3.7326  9.5668  4.0960  -1.559310      5.541583 
1 1 1 -5  -29 29 o 18.536  3.0481  52.249    16.886    14.032    24.087    89.183    23.679    12.187  4.8738  24.886  3.6618  -12.69942      6.096171 
1 1 1 -5  -29 30 o 19.769  3.2499  60.245    17.047    46.843    24.729    72.382    23.532    17.431  5.0224  22.107  4.1258  -4.676651      6.499713 
1 1 1 -5  -29 31 o 13.651  3.2920  23.507    15.217    41.785    23.056    9.4007    20.255    16.465  4.8798  10.837  4.4202  5.628366       6.584085 
1 1 1 -5  -29 32 o 15.448  2.8192  31.405    16.037    -15.7985  23.634    71.689    21.833    8.8816  4.1264  22.015  3.8423  -13.13363      5.638308 
1 1 1 -5  -29 33 o 21.801  3.3292  75.333    18.917    59.591    27.673    89.142    25.919    19.234  5.2326  24.369  4.1177  -5.134703      6.658481 
1 1 1 -5  -29 34 o 30.534  2.7470  139.653   21.556    118.166   31.170    159.349   29.842    27.903  4.3093  33.165  3.4078  -5.261860      5.493923 
1 1 1 -5  -29 35 o 16.983  3.5198  46.441    17.655    32.252    25.150    60.227    24.790    14.542  5.1550  19.423  4.7941  -4.881269      7.039684 
1 1 1 -5  -29 36 o 16.419  3.6397  44.041    17.803    43.117    26.011    44.854    24.418    16.242  5.2473  16.595  5.0455  -0.3531685     7.279461 
1 1 1 -5  -29 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -29 38 o 11.342  2.9978  -10.1691  17.536    43.948    24.236    -69.6323  25.404    16.238  5.0427  6.4456  3.2432  9.792306       5.995637 
1 1 1 -5  -29 39 o 30.815  3.0093  149.374   24.092    141.373   34.568    156.930   33.594    29.776  4.4725  31.854  4.0274  -2.077702      6.018585 
1 1 1 -5  -29 40 o 12.464  3.4739  19.375    18.076    36.387    25.734    2.8052    25.398    14.560  5.2089  10.369  4.5977  4.191401       6.947738 
1 1 1 -5  -29 41 o 15.053  3.6394  39.504    19.071    19.120    26.818    60.358    27.126    12.036  5.0147  18.071  5.2756  -6.034930      7.278716 
1 1 1 -5  -28 1  o 21.484  2.5135  64.969    13.884    75.913    20.250    55.260    19.073    23.282  3.3431  19.685  3.7543  3.597094       5.027077 
1 1 1 -5  -28 2  o 19.171  2.7383  54.127    13.541    37.126    19.669    69.445    18.670    16.043  4.4309  22.300  3.2189  -6.257320      5.476681 
1 1 1 -5  -28 3  o 35.276  2.0956  171.361   19.533    155.032   27.705    187.498   27.543    33.542  3.1195  37.009  2.7992  -3.466908      4.191278 
1 1 1 -5  -28 4  o 48.035  2.0302  315.375   25.989    308.776   37.045    321.771   36.470    47.521  2.9246  48.550  2.8166  -1.028820      4.060365 
1 1 1 -5  -28 5  o 9.9044  2.7210  8.1134    10.264    12.758    16.016    4.8763    13.371    10.905  4.0754  8.9042  3.6064  2.000461       5.441932 
1 1 1 -5  -28 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -28 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -28 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -28 9  o 17.775  4.4961  45.431    21.421    0.0000    0.0000    45.431    21.421    ?       ?       17.775  4.4961  ?              ?        
1 1 1 -5  -28 10 o 17.177  2.9833  42.241    13.570    42.318    20.330    42.180    18.225    17.174  4.3998  17.180  4.0301  -0.5876541E-02 5.966558 
1 1 1 -5  -28 11 o 20.170  2.7639  57.707    14.347    73.921    20.807    43.008    19.810    23.018  3.4837  17.322  4.2918  5.696507       5.527734 
1 1 1 -5  -28 12 o 17.122  2.8871  41.482    13.100    50.067    19.326    34.186    17.817    18.754  3.9710  15.490  4.1920  3.263766       5.774278 
1 1 1 -5  -28 13 o 18.871  3.0681  51.102    15.211    45.856    21.495    56.365    21.529    17.865  4.4957  19.877  4.1764  -2.012716      6.136217 
1 1 1 -5  -28 14 f 63.079  2.0897  541.204   35.270    564.803   49.630    517.123   50.134    64.495  2.8729  61.664  3.0354  2.831387       4.179394 
1 1 1 -5  -28 15 o 50.363  2.0400  345.955   27.370    357.152   38.228    334.180   39.203    51.229  2.7966  49.498  2.9707  1.730480       4.079943 
1 1 1 -5  -28 16 o 38.322  2.1768  201.775   22.055    220.491   31.008    182.614   31.375    40.185  2.9004  36.460  3.2467  3.725170       4.353567 
1 1 1 -5  -28 17 o 83.930  2.2762  960.583   51.167    955.148   71.947    966.144   72.783    83.694  3.2094  84.165  3.2286  -0.4714279     4.552364 
1 1 1 -5  -28 18 o 28.133  2.5226  111.734   17.894    80.273    25.077    144.369   25.540    23.821  4.0768  32.445  2.9720  -8.623549      5.045129 
1 1 1 -5  -28 19 o 33.319  2.2844  152.863   20.120    146.493   28.219    159.448   28.694    32.594  3.2768  34.043  3.1838  -1.449715      4.568758 
1 1 1 -5  -28 20 o 68.997  4.0945  660.364   75.330    0.0000    0.0000    660.364   75.330    ?       ?       68.997  4.0945  ?              ?        
1 1 1 -5  -28 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -28 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -28 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -28 24 o 34.465  2.2633  165.213   20.403    192.412   28.919    138.254   28.791    37.422  2.9079  31.507  3.4691  5.915207       4.526640 
1 1 1 -5  -28 25 o 26.003  2.6019  94.958    17.538    107.249   25.594    84.076    24.081    27.659  3.5356  24.348  3.8182  3.311289       5.203767 
1 1 1 -5  -28 26 o 55.062  2.1200  417.178   31.148    415.801   44.138    418.544   43.961    54.966  3.0094  55.159  2.9867  -0.1925812     4.239915 
1 1 1 -5  -28 27 o 23.675  2.8079  80.298    17.133    89.202    24.647    71.972    23.833    25.035  3.7945  22.315  4.1399  2.720884       5.615760 
1 1 1 -5  -28 28 o 8.7041  2.7413  -7.1749   13.057    0.9950    19.166    -14.2500  17.835    9.6853  4.1464  7.7228  3.5869  1.962551       5.482526 
1 1 1 -5  -28 29 o 43.154  2.2066  258.980   25.327    266.011   36.218    252.250   35.431    43.734  3.1121  42.574  3.1290  1.160107       4.413154 
1 1 1 -5  -28 30 f 12.514  3.2613  18.233    15.005    7.0811    22.015    27.908    20.505    10.988  4.5578  14.040  4.6660  -3.051918      6.522644 
1 1 1 -5  -28 31 o 24.361  2.9261  88.390    18.136    72.287    26.401    102.777   24.955    21.922  4.6410  26.800  3.5650  -4.877932      5.852177 
1 1 1 -5  -28 32 f 36.123  2.4003  184.821   22.746    217.163   33.150    156.050   31.267    39.247  3.1809  33.000  3.5955  6.246380       4.800626 
1 1 1 -5  -28 33 o 44.003  2.2867  274.480   26.565    315.773   38.190    235.768   36.977    47.375  3.0254  40.631  3.4298  6.744003       4.573493 
1 1 1 -5  -28 34 o 10.327  3.0483  3.8333    14.759    -9.3500   21.311    15.985    20.460    8.8880  4.0513  11.767  4.5558  -2.878793      6.096616 
1 1 1 -5  -28 35 o 11.162  3.2450  8.8762    15.992    -0.8872   22.550    18.753    22.682    9.9304  4.3712  12.394  4.7973  -2.463530      6.490098 
1 1 1 -5  -28 36 f 8.2134  2.7128  -15.0736  14.668    -13.9152  19.610    -16.5450  22.101    8.0257  3.7387  8.4011  3.9319  -0.3754578     5.425627 
1 1 1 -5  -28 37 o 13.030  3.4827  23.361    16.648    24.248    23.275    22.431    23.822    13.142  4.9127  12.917  4.9378  0.2259150      6.965375 
1 1 1 -5  -28 38 o 21.699  3.5139  77.475    20.184    60.862    28.841    93.422    28.257    18.978  5.4102  24.419  4.4856  -5.441334      7.027840 
1 1 1 -5  -28 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -28 40 o 14.680  3.2845  26.912    18.443    67.169    26.322    -11.9117  25.849    20.021  4.9391  9.3392  4.3309  10.68160       6.568909 
1 1 1 -5  -28 41 o 15.376  3.8222  41.679    19.581    44.839    27.282    38.322    28.119    15.878  5.3827  14.874  5.4279  1.004292       7.644342 
1 1 1 -5  -28 42 o 8.1763  2.7579  -31.0534  17.671    -0.5699   24.873    -62.1200  25.110    9.8458  4.4436  6.5068  3.2677  3.338996       5.515710 
1 1 1 -5  -27 1  o 48.285  3.0304  340.478   33.316    358.768   39.122    292.209   63.556    51.297  2.8587  45.273  5.3442  6.024498       6.060780 
1 1 1 -5  -27 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -27 3  o 54.387  3.7626  407.171   54.474    0.0000    0.0000    407.171   54.474    ?       ?       54.387  3.7626  ?              ?        
1 1 1 -5  -27 4  o 53.240  2.0245  385.499   28.760    393.990   40.961    377.242   40.391    53.823  2.8514  52.656  2.8747  1.166222       4.049006 
1 1 1 -5  -27 5  o 49.622  1.9924  335.176   26.335    318.362   37.472    351.586   37.020    48.363  2.9062  50.881  2.7263  -2.517166      3.984804 
1 1 1 -5  -27 6  o 57.981  2.0149  456.114   31.193    487.144   44.520    426.192   43.718    59.974  2.7715  55.987  2.9254  3.986256       4.029767 
1 1 1 -5  -27 7  o 38.586  2.0410  202.865   20.886    221.694   29.872    184.857   29.213    40.371  2.7794  36.801  2.9895  3.569923       4.081946 
1 1 1 -5  -27 8  o 54.672  2.0326  405.969   29.649    421.550   42.202    390.783   41.663    55.720  2.8371  53.624  2.9116  2.096905       4.065287 
1 1 1 -5  -27 9  o 50.340  2.0045  344.382   26.885    364.696   38.120    324.278   37.922    51.841  2.7552  48.838  2.9123  3.003613       4.009030 
1 1 1 -5  -27 10 o 11.005  2.8697  13.137    11.265    8.9690    16.713    16.607    15.250    10.431  4.0953  11.580  4.0210  -1.148964      5.739310 
1 1 1 -5  -27 11 o 9.9077  2.5655  2.0336    10.115    24.182    16.320    -11.7823  12.889    13.305  4.1391  6.5108  3.0324  6.793885       5.131029 
1 1 1 -5  -27 12 o 39.258  2.0412  210.031   21.289    219.264   29.949    200.600   30.268    40.154  2.8022  38.362  2.9689  1.792000       4.082487 
1 1 1 -5  -27 13 o 9.6551  2.7413  5.7783    10.836    9.4593    16.090    2.7230    14.658    10.381  4.0342  8.9294  3.7128  1.451378       5.482698 
1 1 1 -5  -27 14 o 32.601  2.1532  145.277   18.520    130.741   25.792    160.747   26.609    30.878  3.1632  34.324  2.9221  -3.446028      4.306318 
1 1 1 -5  -27 15 o 52.969  2.0305  380.992   28.688    366.117   40.163    396.489   40.993    51.903  2.9005  54.035  2.8424  -2.131489      4.061052 
1 1 1 -5  -27 16 o 120.932 2.7331  2000.11   88.524    1973.39   124.907   2027.08   125.479   120.109 3.8826  121.755 3.8476  -1.645874      5.466151 
1 1 1 -5  -27 17 o 37.120  2.1273  188.037   20.949    177.322   29.283    199.269   29.983    36.018  3.0645  38.223  2.9514  -2.205196      4.254640 
1 1 1 -5  -27 18 o 65.368  2.0828  579.721   36.459    583.349   51.121    575.966   52.011    65.586  2.9100  65.150  2.9805  0.4362564      4.165570 
1 1 1 -5  -27 19 o 100.295 2.4473  1372.30   65.727    1394.36   92.474    1349.78   93.438    101.135 3.4137  99.456  3.5076  1.678711       4.894555 
1 1 1 -5  -27 20 o 40.007  2.0843  218.029   22.147    203.211   30.647    234.227   32.042    38.568  2.9900  41.445  2.9048  -2.876541      4.168690 
1 1 1 -5  -27 21 o 45.803  2.0667  286.943   25.133    307.490   35.121    265.376   35.982    47.537  2.7704  44.069  3.0674  3.467060       4.133317 
1 1 1 -5  -27 22 o 35.268  2.1675  170.820   20.220    182.633   28.474    158.804   28.718    36.543  2.9338  33.993  3.1915  2.549767       4.335060 
1 1 1 -5  -27 23 o 17.654  2.9643  44.084    14.364    65.619    21.006    25.173    19.685    21.564  3.7744  13.744  4.5719  7.820101       5.928639 
1 1 1 -5  -27 24 o 24.916  2.4528  86.578    15.923    87.155    22.742    86.022    22.301    24.992  3.4928  24.839  3.4447  0.1522846      4.905650 
1 1 1 -5  -27 25 o 34.111  3.8784  162.542   34.805    0.0000    0.0000    162.542   34.805    ?       ?       34.111  3.8784  ?              ?        
1 1 1 -5  -27 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -27 27 o 35.602  4.5536  180.636   42.428    180.636   42.428    0.0000    0.0000    35.602  4.5536  ?       ?       ?              ?        
1 1 1 -5  -27 28 o 11.435  3.1068  12.052    13.603    19.911    19.892    5.1495    18.642    12.708  4.5761  10.163  4.2033  2.544235       6.213530 
1 1 1 -5  -27 29 o 17.258  3.2949  44.186    15.761    35.902    23.137    51.358    21.529    15.788  4.9311  18.727  4.3715  -2.939388      6.589822 
1 1 1 -5  -27 30 o 44.791  2.1862  278.846   25.970    263.087   37.577    293.256   35.933    43.493  3.2491  46.089  2.9259  -2.596382      4.372347 
1 1 1 -5  -27 31 o 32.648  2.4219  149.553   20.830    158.516   30.509    141.726   28.510    33.563  3.4425  31.734  3.4075  1.828449       4.843730 
1 1 1 -5  -27 32 o 51.394  2.1940  368.529   30.014    357.484   43.198    378.837   41.732    50.579  3.2052  52.208  2.9968  -1.629150      4.387950 
1 1 1 -5  -27 33 o 11.641  3.2037  13.059    14.756    4.1819    20.923    21.845    20.814    10.358  4.3795  12.924  4.6770  -2.565465      6.407339 
1 1 1 -5  -27 34 o 20.159  3.2518  62.246    17.214    69.609    23.971    54.407    24.735    21.554  4.3028  18.763  4.8768  2.790737       6.503628 
1 1 1 -5  -27 35 o 12.744  3.2666  18.742    15.709    0.8428    22.475    35.840    21.966    10.173  4.4231  15.316  4.8081  -5.142523      6.533151 
1 1 1 -5  -27 36 o 11.784  3.3112  14.673    15.657    17.790    22.428    11.710    21.867    12.249  4.7622  11.318  4.6020  0.9302340      6.622442 
1 1 1 -5  -27 37 o 19.425  3.5382  60.719    18.532    63.314    26.311    58.163    26.108    19.870  4.9594  18.981  5.0478  0.8894119      7.076378 
1 1 1 -5  -27 38 o 17.763  3.6428  51.799    18.423    46.480    26.078    57.099    26.030    16.835  5.2313  18.690  5.0708  -1.854872      7.285576 
1 1 1 -5  -27 39 o 13.924  3.6621  28.807    18.241    28.520    25.429    29.113    26.179    13.860  5.1440  13.988  5.2138  -0.1278543     7.324276 
1 1 1 -5  -27 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -27 41 o 31.381  3.1265  156.542   24.869    121.951   35.000    191.814   35.343    27.175  4.9924  35.587  3.7650  -8.412476      6.252976 
1 1 1 -5  -27 42 o 11.081  3.3226  6.8459    18.213    24.430    25.269    -12.1656  26.275    12.861  5.0398  9.3014  4.3312  3.560007       6.645192 
1 1 1 -5  -27 43 o 12.126  3.5627  19.351    19.053    16.583    26.263    22.425    27.682    11.737  4.9315  12.515  5.1431  -0.7773256     7.125429 
1 1 1 -5  -26 1  o 8.3320  2.4961  0.0677    9.6493    4.2653    14.511    -3.2595   12.919    9.1301  3.7347  7.5340  3.3126  1.596062       4.992121 
1 1 1 -5  -26 2  o 59.188  2.0151  474.316   31.943    483.472   45.498    465.416   44.857    59.752  2.8428  58.623  2.8568  1.129543       4.030227 
1 1 1 -5  -26 3  o 19.206  2.5628  53.020    12.569    36.672    17.916    68.863    17.638    16.067  4.1381  22.346  3.0246  -6.278866      5.125575 
1 1 1 -5  -26 4  o 26.266  2.2260  95.083    15.299    90.395    22.087    99.406    21.211    25.601  3.2976  26.931  2.9910  -1.330097      4.451950 
1 1 1 -5  -26 5  o 22.658  2.2964  71.202    13.484    68.148    19.656    73.917    18.531    22.150  3.4235  23.165  3.0616  -1.015232      4.592782 
1 1 1 -5  -26 6  o 60.396  2.0130  493.196   32.561    500.599   46.432    486.033   45.672    60.841  2.8493  59.951  2.8443  0.8906593      4.025927 
1 1 1 -5  -26 7  o 39.108  1.9914  207.822   20.671    226.040   29.525    190.305   28.950    40.817  2.7161  37.399  2.9130  3.418472       3.982800 
1 1 1 -5  -26 8  o 29.297  2.1583  117.926   16.550    102.356   23.400    133.507   23.409    27.289  3.2663  31.305  2.8221  -4.015635      4.316619 
1 1 1 -5  -26 9  o 52.562  1.9724  374.381   27.664    382.278   39.121    366.483   39.124    53.125  2.7588  52.000  2.8196  1.125229       3.944767 
1 1 1 -5  -26 10 o 22.625  2.4870  71.495    14.456    60.761    20.453    82.207    20.433    20.817  3.8086  24.433  3.1992  -3.615507      4.973929 
1 1 1 -5  -26 11 o 111.554 2.5797  1691.83   77.063    1737.84   109.306   1646.36   108.665   113.080 3.6089  110.028 3.6872  3.051765       5.159375 
1 1 1 -5  -26 12 o 37.663  2.0721  193.371   20.686    205.434   28.989    180.857   29.526    38.895  2.8014  36.432  3.0540  2.462704       4.144227 
1 1 1 -5  -26 13 o 89.719  2.2679  1090.68   54.501    1089.43   76.873    1091.95   77.280    89.670  3.2007  89.769  3.2140  -0.9928131E-01 4.535899 
1 1 1 -5  -26 14 o 44.121  2.0187  263.904   23.702    247.353   32.948    281.655   34.122    42.674  2.8997  45.568  2.8094  -2.894207      4.037437 
1 1 1 -5  -26 15 o 102.194 2.4522  1418.29   67.123    1408.94   94.580    1427.79   95.275    101.855 3.4668  102.533 3.4692  -0.6780777     4.904471 
1 1 1 -5  -26 16 o 49.735  1.9995  337.191   26.368    371.831   36.883    300.975   37.712    52.410  2.6357  47.060  3.0076  5.350380       3.999100 
1 1 1 -5  -26 17 o 49.396  1.9575  330.934   25.783    334.680   36.043    327.010   36.897    49.694  2.7182  49.097  2.8175  0.5961494      3.914961 
1 1 1 -5  -26 18 o 78.273  2.1626  830.281   45.327    834.468   63.472    825.922   64.751    78.486  3.0192  78.060  3.0969  0.4260635      4.325125 
1 1 1 -5  -26 19 o 49.271  1.9885  329.955   26.094    342.088   36.414    317.149   37.410    50.228  2.7167  48.314  2.9044  1.914009       3.976933 
1 1 1 -5  -26 20 o 67.325  2.0415  613.656   36.805    593.581   51.550    634.529   52.564    66.197  2.9074  68.453  2.8668  -2.255936      4.083099 
1 1 1 -5  -26 21 o 58.817  2.0184  468.608   31.796    467.596   44.659    469.650   45.281    58.757  2.8377  58.878  2.8713  -0.1210518     4.036891 
1 1 1 -5  -26 22 o 27.664  2.2860  105.392   16.596    98.951    23.260    112.070   23.685    26.773  3.3144  28.555  3.1491  -1.781939      4.571932 
1 1 1 -5  -26 23 o 38.636  2.0593  204.578   21.010    179.894   29.843    228.836   29.584    36.255  3.1031  41.018  2.7080  -4.763447      4.118528 
1 1 1 -5  -26 24 o 60.515  2.0413  497.130   33.082    507.878   46.864    486.454   46.708    61.174  2.8601  59.855  2.9134  1.318996       4.082647 
1 1 1 -5  -26 25 o 68.046  2.0869  629.506   38.035    625.882   53.901    633.100   53.679    67.846  2.9661  68.246  2.9365  -0.4002991     4.173813 
1 1 1 -5  -26 26 o 47.519  2.0513  308.011   25.871    346.725   37.253    271.947   35.956    50.452  2.7673  44.586  3.0287  5.865318       4.102575 
1 1 1 -5  -26 27 o 16.108  3.1258  36.175    14.383    51.527    21.126    22.911    19.636    18.920  4.2701  13.295  4.5659  5.624712       6.251501 
1 1 1 -5  -26 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -26 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -26 30 o 13.997  3.2290  26.807    14.406    16.349    21.372    35.516    19.503    12.333  4.6861  15.660  4.4436  -3.326368      6.457960 
1 1 1 -5  -26 31 o 48.354  2.0966  321.545   26.994    340.909   39.223    304.121   37.207    49.743  2.9572  46.966  2.9730  2.776733       4.193298 
1 1 1 -5  -26 32 o 53.563  2.1691  398.183   30.890    369.195   44.147    425.987   43.237    51.559  3.2127  55.568  2.9151  -4.008987      4.338177 
1 1 1 -5  -26 33 o 28.410  2.6162  114.903   19.378    125.901   27.895    104.647   26.938    29.799  3.5657  27.020  3.8293  2.778925       5.232380 
1 1 1 -5  -26 34 o 39.357  2.2863  217.734   23.846    213.228   34.497    221.857   32.998    38.902  3.3432  39.812  3.1195  -0.9099388     4.572548 
1 1 1 -5  -26 35 o 8.2982  2.6346  -21.0556  13.896    8.4195    19.631    -50.6610  19.674    10.635  4.3463  5.9613  2.9790  4.673833       5.269213 
1 1 1 -5  -26 36 o 22.834  3.2582  81.434    19.218    57.042    27.617    104.335   26.760    18.976  5.2541  26.692  3.8546  -7.715712      6.516381 
1 1 1 -5  -26 37 o 18.129  3.4956  52.054    17.702    41.453    25.021    62.678    25.048    16.235  5.1361  20.024  4.7432  -3.788794      6.991261 
1 1 1 -5  -26 38 o 18.858  3.5495  57.430    19.111    36.683    26.999    78.266    27.056    15.349  5.3492  22.366  4.6673  -7.017037      7.099081 
1 1 1 -5  -26 39 o 11.691  3.3247  14.253    16.088    19.608    22.619    8.7700    22.888    12.397  4.7929  10.985  4.6089  1.412595       6.649349 
1 1 1 -5  -26 40 f 23.374  3.4160  91.794    21.046    51.942    30.325    128.827   29.232    17.438  5.6685  29.311  3.8138  -11.87253      6.832055 
1 1 1 -5  -26 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -26 42 o 12.673  3.5373  18.415    19.096    36.894    26.438    -1.7407   27.612    14.893  5.2848  10.454  4.7032  4.438767       7.074552 
1 1 1 -5  -26 43 o 19.419  3.8543  68.705    21.636    86.610    30.290    50.051    30.916    22.360  5.1621  16.477  5.7251  5.882435       7.708663 
1 1 1 -5  -26 44 o 17.293  4.0147  57.835    21.487    53.175    29.526    63.080    31.328    16.632  5.5999  17.953  5.7544  -1.320749      8.029423 
1 1 1 -5  -25 1  o 67.092  2.0540  608.694   36.902    628.412   52.609    589.596   51.775    68.167  2.8814  66.018  2.9280  2.149300       4.107958 
1 1 1 -5  -25 2  o 77.726  2.1555  817.558   44.871    822.648   63.918    812.612   63.006    77.961  3.0610  77.491  3.0356  0.4702759      4.310946 
1 1 1 -5  -25 3  o 31.438  1.9910  134.640   16.533    147.810   23.588    121.921   23.180    32.984  2.6934  29.892  2.9329  3.091331       3.982036 
1 1 1 -5  -25 4  o 37.355  1.9722  189.441   19.587    194.113   27.771    184.816   27.628    37.821  2.7605  36.889  2.8175  0.9319534      3.944431 
1 1 1 -5  -25 5  o 16.566  2.6306  38.580    11.375    41.407    16.630    36.095    15.594    17.140  3.7286  15.992  3.7120  1.148002       5.261271 
1 1 1 -5  -25 6  o 60.115  2.0005  488.030   32.194    473.226   45.739    502.567   45.323    59.202  2.8845  61.028  2.7727  -1.826527      4.000998 
1 1 1 -5  -25 7  o 41.058  1.9389  228.382   21.190    237.383   30.101    219.540   29.835    41.871  2.6984  40.245  2.7848  1.625580       3.877701 
1 1 1 -5  -25 8  o 83.592  2.2192  944.249   49.682    963.352   70.682    925.593   69.849    84.430  3.1255  82.753  3.1513  1.677338       4.438385 
1 1 1 -5  -25 9  o 41.827  1.9413  236.961   21.623    242.371   30.511    231.501   30.649    42.316  2.7061  41.339  2.7842  0.9766579      3.882635 
1 1 1 -5  -25 10 o 37.429  1.9894  190.785   19.694    209.630   27.634    171.334   28.075    39.354  2.6368  35.505  2.9797  3.849823       3.978891 
1 1 1 -5  -25 11 o 116.567 2.6293  1842.12   82.091    1863.43   116.314   1820.97   115.876   117.245 3.7038  115.890 3.7330  1.354233       5.258663 
1 1 1 -5  -25 12 o 16.453  2.7028  38.839    12.447    17.135    17.761    59.784    17.448    12.113  4.3281  20.792  3.2385  -8.678704      5.405550 
1 1 1 -5  -25 13 o 22.389  2.4657  69.467    14.282    74.344    20.274    64.662    20.122    23.212  3.3586  21.566  3.6110  1.645262       4.931484 
1 1 1 -5  -25 14 o 31.798  2.0863  138.173   17.334    113.129   24.205    164.540   24.836    28.759  3.1962  34.837  2.6823  -6.077755      4.172630 
1 1 1 -5  -25 15 o 36.631  1.9832  181.967   19.305    178.838   26.918    185.281   27.702    36.308  2.7893  36.955  2.8200  -0.6466904     3.966405 
1 1 1 -5  -25 16 o 75.351  2.0858  766.534   42.090    760.346   58.888    772.998   60.183    75.045  2.9297  75.658  2.9698  -0.6133652     4.171656 
1 1 1 -5  -25 17 o 52.854  1.9593  377.737   27.632    368.503   38.545    387.501   39.633    52.188  2.7673  53.519  2.7743  -1.330711      3.918531 
1 1 1 -5  -25 18 o 67.099  2.0174  607.644   36.236    578.927   50.670    637.703   51.841    65.470  2.8894  68.728  2.8161  -3.257645      4.034770 
1 1 1 -5  -25 19 o 73.414  2.0672  728.301   40.646    722.672   57.097    734.085   57.876    73.128  2.9150  73.699  2.9319  -0.5713120     4.134384 
1 1 1 -5  -25 20 o 68.445  2.0372  633.050   37.341    623.966   52.220    642.556   53.417    67.945  2.8694  68.945  2.8926  -0.9996338     4.074360 
1 1 1 -5  -25 21 o 83.010  2.1838  933.326   48.547    940.591   68.259    925.889   69.061    83.346  3.0576  82.674  3.1187  0.6721573      4.367566 
1 1 1 -5  -25 22 o 63.034  2.0151  538.576   33.928    582.304   47.885    494.492   48.080    65.635  2.7238  60.432  2.9704  5.203682       4.030138 
1 1 1 -5  -25 23 o 63.372  2.0094  543.714   34.097    558.460   48.192    528.932   48.250    64.242  2.8007  62.501  2.8822  1.740482       4.018824 
1 1 1 -5  -25 24 o 16.529  2.9835  39.019    13.283    35.396    19.135    42.388    18.452    15.802  4.3728  17.256  4.0600  -1.454115      5.967007 
1 1 1 -5  -25 25 o 66.515  2.0305  599.869   36.169    595.679   51.512    603.945   50.797    66.277  2.9017  66.753  2.8410  -0.4754333     4.060960 
1 1 1 -5  -25 26 o 48.844  2.0085  324.768   26.151    319.189   37.323    330.148   36.653    48.416  2.8913  49.271  2.7888  -0.8551331     4.017073 
1 1 1 -5  -25 27 o 32.352  2.2499  145.792   18.888    119.383   27.130    170.634   26.313    29.352  3.5211  35.353  2.8017  -6.000826      4.499788 
1 1 1 -5  -25 28 o 39.356  2.1015  213.083   21.851    192.145   31.427    232.679   30.402    37.408  3.1662  41.304  2.7640  -3.896038      4.202964 
1 1 1 -5  -25 29 o 81.721  2.2368  912.399   48.954    909.281   69.785    915.421   68.691    81.568  3.1941  81.875  3.1323  -0.3064194     4.473661 
1 1 1 -5  -25 30 o 46.988  2.1202  302.880   26.506    298.709   38.353    306.695   36.674    46.645  3.0872  47.332  2.9069  -0.6872787     4.240392 
1 1 1 -5  -25 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -25 32 o 23.279  2.8339  77.599    16.972    88.317    24.383    67.524    23.638    24.957  3.7647  21.602  4.2368  3.354725       5.667721 
1 1 1 -5  -25 33 o 29.939  2.4448  125.798   19.231    131.993   27.569    119.927   26.840    30.682  3.4125  29.196  3.5020  1.486374       4.889694 
1 1 1 -5  -25 34 o 11.980  3.1119  11.094    15.053    -11.2977  21.443    32.851    21.136    8.9101  4.0624  15.050  4.7151  -6.140266      6.223737 
1 1 1 -5  -25 35 o 30.452  2.5938  132.289   20.701    140.046   29.462    124.726   29.092    31.393  3.5672  29.511  3.7664  1.882502       5.187539 
1 1 1 -5  -25 36 o 46.969  2.2714  310.205   28.401    312.473   40.529    308.017   39.810    47.125  3.2304  46.812  3.1941  0.3133736      4.542850 
1 1 1 -5  -25 37 o 31.899  2.7315  149.694   21.929    194.934   31.469    106.988   30.575    37.084  3.1994  26.714  4.4281  10.37029       5.463013 
1 1 1 -5  -25 38 o 31.197  2.6717  142.522   21.853    136.449   30.758    148.711   31.053    30.466  3.8555  31.928  3.6997  -1.462061      5.343468 
1 1 1 -5  -25 39 o 30.937  2.8890  145.355   22.368    104.180   31.487    187.301   31.780    25.855  4.7207  36.019  3.3318  -10.16483      5.778078 
1 1 1 -5  -25 40 o 43.856  2.5379  281.807   29.445    311.053   42.268    254.234   41.042    46.230  3.4381  41.481  3.7339  4.748280       5.075706 
1 1 1 -5  -25 41 o 16.562  3.8818  45.992    20.064    45.366    27.829    46.670    28.954    16.475  5.4339  16.650  5.5451  -0.1754551     7.763669 
1 1 1 -5  -25 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -25 43 o 23.631  3.6884  94.933    22.731    90.001    32.079    99.906    32.213    22.873  5.3341  24.389  5.0955  -1.515682      7.376825 
1 1 1 -5  -25 44 o 38.468  2.9545  234.499   29.892    220.140   42.087    249.116   42.464    37.076  4.3190  39.860  4.0328  -2.784504      5.909086 
1 1 1 -5  -25 45 o 8.8524  2.9829  -19.6840  19.537    -17.3087  26.673    -22.4332  28.696    8.8375  4.1916  8.8672  4.2451  -0.2970314E-01 5.965780 
1 1 1 -5  -24 1  o 87.779  2.2722  1042.28   53.415    1037.71   76.035    1046.73   75.056    87.581  3.2412  87.976  3.1852  -0.3950882     4.544327 
1 1 1 -5  -24 2  o 89.183  2.3008  1075.39   54.957    1082.23   78.248    1068.73   77.203    89.459  3.2656  88.906  3.2420  0.5532074      4.601587 
1 1 1 -5  -24 3  o 47.609  1.9125  306.386   24.279    317.797   34.580    295.292   34.097    48.492  2.6727  46.727  2.7362  1.764183       3.824946 
1 1 1 -5  -24 4  o 48.125  1.9191  312.985   24.635    314.881   35.033    311.130   34.650    48.268  2.7208  47.981  2.7072  0.2870636      3.838188 
1 1 1 -5  -24 5  o 21.881  2.3746  67.134    13.249    54.850    19.136    78.444    18.361    19.814  3.7430  23.949  2.9231  -4.134838      4.749104 
1 1 1 -5  -24 6  o 121.172 2.7079  1987.42   87.858    2056.48   125.049   1920.09   123.467   123.265 3.7875  119.079 3.8710  4.185783       5.415702 
1 1 1 -5  -24 7  o 50.595  1.9234  345.496   25.965    355.235   37.075    336.121   36.375    51.299  2.7079  49.892  2.7324  1.406548       3.846846 
1 1 1 -5  -24 8  o 36.611  1.9929  181.724   19.361    192.674   27.354    170.732   27.406    37.737  2.7246  35.485  2.9091  2.252155       3.985731 
1 1 1 -5  -24 9  o 57.547  1.9762  446.425   30.383    423.392   42.726    469.986   43.213    56.002  2.8579  59.093  2.7302  -3.090622      3.952442 
1 1 1 -5  -24 10 o 149.672 3.1149  3039.48   124.754   3202.81   176.956   2878.09   175.906   153.716 4.2979  145.627 4.5097  8.088608       6.229726 
1 1 1 -5  -24 11 o 93.372  2.3065  1175.82   57.659    1132.48   81.317    1219.64   81.770    91.631  3.3132  95.112  3.2097  -3.481361      4.612980 
1 1 1 -5  -24 12 o 104.005 2.4399  1459.92   67.967    1468.52   95.961    1451.26   96.280    104.317 3.4344  103.694 3.4665  0.6222153      4.879752 
1 1 1 -5  -24 13 o 89.600  2.2594  1082.24   54.220    1062.52   76.279    1102.37   77.084    88.773  3.2080  90.427  3.1826  -1.654243      4.518838 
1 1 1 -5  -24 14 o 75.502  2.1006  768.550   42.445    793.989   59.554    742.287   60.511    76.784  2.8957  74.220  3.0438  2.563583       4.201178 
1 1 1 -5  -24 15 o 134.900 2.8596  2464.36   103.322   2469.76   145.721   2458.91   146.523   135.054 4.0283  134.745 4.0598  0.3086395      5.719202 
1 1 1 -5  -24 16 o 60.859  1.9722  499.156   32.119    510.900   44.819    486.757   46.054    61.604  2.7162  60.114  2.8602  1.490143       3.944457 
1 1 1 -5  -24 17 o 139.519 2.9636  2640.73   110.745   2649.26   156.182   2632.10   157.056   139.753 4.1723  139.284 4.2098  0.4692230      5.927127 
1 1 1 -5  -24 18 o 37.980  1.9960  195.294   20.151    188.293   28.102    202.703   28.911    37.274  2.8360  38.686  2.8093  -1.411968      3.991910 
1 1 1 -5  -24 19 o 101.797 2.4045  1401.16   65.554    1416.86   92.314    1385.19   93.105    102.382 3.3663  101.212 3.4344  1.170067       4.809084 
1 1 1 -5  -24 20 o 145.273 3.0731  2873.11   119.576   2871.95   168.761   2874.28   169.452   145.247 4.3379  145.298 4.3541  -0.5027771E-01 6.146159 
1 1 1 -5  -24 21 o 69.089  2.0413  644.214   37.771    631.018   53.184    657.643   53.651    68.372  2.9041  69.806  2.8694  -1.434074      4.082563 
1 1 1 -5  -24 22 o 73.069  2.0738  721.248   40.586    719.945   57.333    722.557   57.463    73.003  2.9321  73.135  2.9334  -0.1319885     4.147527 
1 1 1 -5  -24 23 o 20.285  2.7287  59.829    14.120    36.469    20.162    82.316    19.781    16.092  4.5013  24.478  3.0857  -8.385563      5.457381 
1 1 1 -5  -24 24 o 30.502  2.1327  127.224   17.180    122.738   24.458    131.594   24.139    29.950  3.0934  31.054  2.9369  -1.103985      4.265497 
1 1 1 -5  -24 25 o 36.774  2.0127  184.058   19.587    205.911   28.099    163.405   27.316    38.937  2.7112  34.612  2.9755  4.325218       4.025436 
1 1 1 -5  -24 26 o 48.148  1.9437  314.373   24.948    329.684   35.898    300.070   34.696    49.289  2.7297  47.008  2.7679  2.281639       3.887474 
1 1 1 -5  -24 27 o 33.020  2.1488  150.238   18.639    134.492   26.938    164.699   25.816    31.281  3.2631  34.758  2.7966  -3.476936      4.297559 
1 1 1 -5  -24 28 o 65.961  2.0512  590.578   36.229    588.182   51.798    592.872   50.692    65.819  2.9381  66.103  2.8631  -0.2846069     4.102416 
1 1 1 -5  -24 29 o 35.442  2.1779  173.518   20.289    156.166   29.541    189.010   27.913    33.675  3.3183  37.209  2.8217  -3.534641      4.355837 
1 1 1 -5  -24 30 o 25.503  2.5489  90.963    16.897    88.476    24.357    93.271    23.460    25.123  3.7332  25.883  3.4715  -0.7595749     5.097836 
1 1 1 -5  -24 31 f 36.680  2.1625  185.500   20.971    172.689   30.164    197.486   29.177    35.393  3.2170  37.967  2.8908  -2.574074      4.325005 
1 1 1 -5  -24 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -24 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -24 34 o 52.722  2.1417  383.645   30.102    376.666   42.964    390.374   42.189    52.220  3.0854  53.223  2.9713  -1.003075      4.283484 
1 1 1 -5  -24 35 o 29.378  2.6411  122.711   20.209    136.435   28.867    109.517   28.302    31.100  3.5277  27.655  3.9315  3.444649       5.282207 
1 1 1 -5  -24 36 o 15.784  3.4818  35.992    16.863    49.009    24.122    23.553    23.582    18.005  4.8800  13.563  4.9675  4.441894       6.963535 
1 1 1 -5  -24 37 o 30.071  2.8806  133.543   21.465    181.414   30.931    89.069    29.813    35.852  3.2566  24.291  4.7525  11.56103       5.761167 
1 1 1 -5  -24 38 o 11.297  3.2764  9.9930    15.878    12.334    22.167    7.5271    22.753    11.559  4.6569  11.034  4.6101  0.5248318      6.552835 
1 1 1 -5  -24 39 o 26.150  3.1121  103.424   21.005    109.149   30.481    98.245    28.988    26.859  4.3884  25.441  4.4140  1.418438       6.224286 
1 1 1 -5  -24 40 o 12.207  3.1158  5.0713    16.598    -29.9018  22.724    45.067    24.302    7.6537  3.6926  16.760  5.0196  -9.106140      6.231524 
1 1 1 -5  -24 41 o 20.535  3.6473  69.151    20.042    64.496    27.793    74.194    28.927    19.779  5.1834  21.290  5.1327  -1.511362      7.294694 
1 1 1 -5  -24 42 o 17.200  3.8118  49.825    19.954    61.001    28.066    38.402    28.374    19.023  5.3072  15.376  5.4728  3.647184       7.623515 
1 1 1 -5  -24 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -24 44 o 26.563  3.5400  118.082   24.126    145.106   34.677    92.727    33.589    30.172  4.4222  22.954  5.5290  7.218166       7.079946 
1 1 1 -5  -24 45 o 7.5005  2.6045  -38.2884  17.312    -44.7196  22.494    -28.9426  27.116    6.6584  3.3040  8.3425  4.0271  -1.684018      5.208985 
1 1 1 -5  -24 46 o 17.025  4.1031  59.410    23.039    71.615    31.963    46.212    33.239    18.871  5.7797  15.178  5.8255  3.693061       8.206172 
1 1 1 -5  -23 1  o 70.568  2.0842  671.016   39.387    689.857   56.108    652.710   55.305    71.548  2.9278  69.589  2.9671  1.958809       4.168412 
1 1 1 -5  -23 2  o 112.640 2.5988  1714.52   78.402    1735.11   111.540   1694.41   110.225   113.309 3.6752  111.972 3.6752  1.336884       5.197510 
1 1 1 -5  -23 3  o 47.697  1.9064  307.000   24.208    332.774   34.609    282.312   33.872    49.674  2.6104  45.719  2.7792  3.954716       3.812861 
1 1 1 -5  -23 4  o 44.690  1.9064  269.776   22.689    256.477   32.133    283.002   32.043    43.577  2.7673  45.803  2.6228  -2.225300      3.812735 
1 1 1 -5  -23 5  o 110.846 2.5570  1657.33   75.864    1741.60   108.008   1575.26   106.583   113.642 3.5484  108.050 3.6828  5.591927       5.114068 
1 1 1 -5  -23 6  f 46.329  1.9161  289.743   23.640    307.599   33.495    272.020   33.371    47.767  2.6281  44.891  2.7891  2.875858       3.832237 
1 1 1 -5  -23 7  o 35.036  1.9810  166.179   18.388    151.982   25.801    180.832   26.213    33.492  2.9049  36.581  2.6943  -3.088974      3.962032 
1 1 1 -5  -23 8  o 66.561  2.0403  595.926   36.361    614.737   51.386    577.061   51.460    67.618  2.8372  65.504  2.9330  2.113655       4.080694 
1 1 1 -5  -23 9  o 127.947 2.7765  2208.57   95.142    2251.70   134.825   2165.80   134.279   129.199 3.8960  126.696 3.9569  2.502884       5.553037 
1 1 1 -5  -23 10 o 63.993  2.0115  550.246   34.446    518.130   48.154    583.900   49.294    62.078  2.8961  65.909  2.7923  -3.831409      4.022954 
1 1 1 -5  -23 11 o 200.211 3.9367  5446.87   211.053   5597.66   298.698   5296.52   298.249   203.016 5.4930  197.405 5.6407  5.611115       7.873419 
1 1 1 -5  -23 12 o 32.432  2.2745  144.975   19.069    174.491   26.764    114.543   27.176    35.922  2.8039  28.942  3.5821  6.979870       4.548993 
1 1 1 -5  -23 13 o 119.076 2.6309  1911.53   83.905    1929.08   118.289   1893.76   119.032   119.632 3.6916  118.519 3.7496  1.112175       5.261866 
1 1 1 -5  -23 14 o 63.261  1.9743  537.392   33.412    501.068   46.485    576.212   48.057    61.048  2.8429  65.475  2.7403  -4.426800      3.948527 
1 1 1 -5  -23 15 o 68.213  2.0141  625.743   36.783    628.128   51.312    623.223   52.755    68.351  2.8028  68.075  2.8933  0.2760925      4.028203 
1 1 1 -5  -23 16 o 37.708  2.0076  194.018   19.893    222.893   27.856    163.967   28.418    40.646  2.5719  34.770  3.0833  5.875847       4.015193 
1 1 1 -5  -23 17 o 28.504  2.1969  110.515   16.489    106.703   22.805    114.692   23.871    27.986  3.0940  29.023  3.1197  -1.037210      4.393794 
1 1 1 -5  -23 18 f 181.862 3.6496  4497.02   177.775   4456.88   250.871   4537.51   251.957   181.041 5.1735  182.684 5.1492  -1.643280      7.299256 
1 1 1 -5  -23 19 o 73.559  2.0374  728.226   40.139    719.464   56.351    737.250   57.189    73.110  2.8777  74.007  2.8850  -0.8972168     4.074848 
1 1 1 -5  -23 20 o 121.843 2.7075  2007.44   88.358    2015.68   124.737   1999.15   125.178   122.098 3.8141  121.587 3.8437  0.5107803      5.414952 
1 1 1 -5  -23 21 o 33.135  2.0256  149.256   17.672    128.553   24.708    170.937   25.285    30.733  3.0415  35.536  2.6761  -4.802822      4.051175 
1 1 1 -5  -23 22 o 33.156  2.0557  150.175   17.901    128.634   25.368    171.540   25.265    30.719  3.1267  35.592  2.6696  -4.872246      4.111347 
1 1 1 -5  -23 23 o 24.714  2.4659  85.552    15.531    68.097    22.275    102.066   21.665    22.089  3.9079  27.339  3.0084  -5.250025      4.931772 
1 1 1 -5  -23 24 o 45.561  1.9588  282.273   23.677    256.913   33.967    306.241   33.021    43.526  2.9306  47.597  2.6000  -4.071259      3.917667 
1 1 1 -5  -23 25 f 78.909  2.1465  842.125   45.354    834.085   64.751    849.870   63.547    78.528  3.0785  79.289  2.9922  -0.7611618     4.293040 
1 1 1 -5  -23 26 o 18.813  2.7281  49.533    13.460    75.776    19.965    27.664    18.225    23.424  3.2713  14.202  4.3668  9.222175       5.456271 
1 1 1 -5  -23 27 o 41.610  1.9999  235.175   22.130    237.614   32.160    232.982   30.501    41.802  2.8900  41.417  2.7653  0.3850288      3.999851 
1 1 1 -5  -23 28 o 21.560  2.7167  64.766    14.913    88.215    22.219    45.545    20.116    25.253  3.3690  17.868  4.2628  7.385063       5.433395 
1 1 1 -5  -23 29 o 35.955  2.1259  177.579   20.144    167.127   29.679    186.506   27.430    34.912  3.2098  36.997  2.7885  -2.085629      4.251861 
1 1 1 -5  -23 30 o 49.883  2.0437  339.486   27.142    323.769   38.861    354.456   37.925    48.720  2.9924  51.046  2.7844  -2.325375      4.087434 
1 1 1 -5  -23 31 o 41.996  2.1219  242.370   23.577    218.814   33.803    264.686   32.901    39.934  3.1868  44.058  2.8026  -4.123802      4.243872 
1 1 1 -5  -23 32 o 70.327  2.1789  675.265   41.029    659.838   58.332    690.370   57.720    69.509  3.1331  71.144  3.0290  -1.635017      4.357860 
1 1 1 -5  -23 33 o 28.076  2.8149  113.306   19.413    160.884   28.171    70.283    26.789    34.157  3.1133  21.994  4.6906  12.16370       5.629774 
1 1 1 -5  -23 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -23 35 o 60.249  2.2322  502.063   35.828    461.698   50.934    541.596   50.406    57.720  3.3083  62.779  2.9976  -5.059875      4.464409 
1 1 1 -5  -23 36 o 26.259  2.9015  99.812    19.571    114.938   27.773    84.892    27.582    28.433  3.7373  24.084  4.4393  4.349077       5.802963 
1 1 1 -5  -23 37 o 22.696  3.1544  76.362    18.477    74.529    26.619    78.066    25.669    22.364  4.5974  23.028  4.3202  -0.6642227     6.308731 
1 1 1 -5  -23 38 o 51.049  2.3214  367.045   31.558    358.415   44.889    375.478   44.376    50.407  3.3438  51.691  3.2211  -1.283680      4.642891 
1 1 1 -5  -23 39 o 34.556  2.5782  172.213   23.500    175.530   33.531    169.012   32.946    34.889  3.6419  34.224  3.6503  0.6649742      5.156370 
1 1 1 -5  -23 40 o 12.821  3.4586  19.269    16.871    9.3011    23.063    30.742    24.744    11.206  4.6581  14.436  5.1138  -3.230602      6.917263 
1 1 1 -5  -23 41 o 8.2512  2.7248  -19.4062  15.452    -4.2675   21.153    -36.7263  22.626    9.2584  4.1446  7.2441  3.5385  2.014326       5.449667 
1 1 1 -5  -23 42 o 13.660  3.4876  23.274    18.695    47.175    25.602    -4.0259   27.362    16.918  5.1713  10.403  4.6810  6.514826       6.975209 
1 1 1 -5  -23 43 o 20.837  3.6117  73.497    21.622    109.081   30.631    38.157    30.526    26.334  4.5046  15.340  5.6467  10.99404       7.223320 
1 1 1 -5  -23 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -23 45 o 10.312  3.2859  -1.2993   19.150    -1.5080   27.040    -1.0894   27.126    10.288  4.6390  10.337  4.6550  -0.4862690E-01 6.571900 
1 1 1 -5  -23 46 o 21.498  3.9916  87.168    23.479    75.645    33.269    98.601    33.141    19.696  5.8673  23.300  5.4135  -3.604187      7.983241 
1 1 1 -5  -22 1  o 67.646  2.0258  615.310   36.693    637.521   52.266    593.727   51.524    68.852  2.8341  66.439  2.8953  2.412949       4.051562 
1 1 1 -5  -22 2  o 106.434 2.4875  1525.83   70.906    1558.27   100.907   1494.20   99.658    107.553 3.5028  105.314 3.5330  2.239639       4.975049 
1 1 1 -5  -22 3  o 34.934  1.9480  164.994   18.079    167.353   25.630    162.658   25.505    35.186  2.7412  34.682  2.7686  0.5036278      3.896059 
1 1 1 -5  -22 4  o 108.677 2.5193  1590.35   73.324    1571.10   104.204   1609.22   103.194   108.020 3.6016  109.335 3.5238  -1.315048      5.038684 
1 1 1 -5  -22 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 9  o 76.514  4.1635  791.052   85.005    0.0000    0.0000    791.052   85.005    ?       ?       76.514  4.1635  ?              ?        
1 1 1 -5  -22 10 o 69.891  3.0009  668.933   55.153    586.705   81.356    738.858   75.024    65.784  4.6471  73.997  3.7980  -8.213333      6.001718 
1 1 1 -5  -22 11 o 56.818  2.4484  425.131   34.957    467.151   61.817    405.376   42.385    58.773  3.9498  54.863  2.8946  3.910431       4.896881 
1 1 1 -5  -22 12 o 113.420 3.1861  1726.72   90.866    1758.63   159.319   1711.34   110.623   114.059 5.2149  112.781 3.6620  1.277908       6.372271 
1 1 1 -5  -22 13 o 69.818  2.8653  659.616   53.168    647.386   78.062    670.198   72.614    69.183  4.2330  70.453  3.8627  -1.270218      5.730530 
1 1 1 -5  -22 14 o 177.774 7.1289  4309.73   339.451   0.0000    0.0000    4309.73   339.451   ?       ?       177.774 7.1289  ?              ?        
1 1 1 -5  -22 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 19 o 46.365  1.9285  289.810   23.840    283.159   33.454    296.672   33.982    45.822  2.7383  46.909  2.7162  -1.087162      3.856979 
1 1 1 -5  -22 20 o 56.134  1.9121  423.527   28.749    422.648   40.543    424.417   40.773    56.076  2.6993  56.192  2.7090  -0.1164932     3.824267 
1 1 1 -5  -22 21 o 16.782  2.7377  40.250    12.804    17.920    18.255    61.876    17.964    12.374  4.3913  21.190  3.2704  -8.816172      5.475326 
1 1 1 -5  -22 22 o 72.459  2.0368  706.601   39.529    715.162   56.080    698.148   55.727    72.897  2.8722  72.022  2.8887  0.8744202      4.073618 
1 1 1 -5  -22 23 o 12.122  2.9712  16.160    12.110    26.596    18.205    7.8755    16.219    14.045  4.3719  10.199  4.0248  3.845836       5.942431 
1 1 1 -5  -22 24 o 117.386 2.6388  1864.33   82.965    1894.33   117.765   1834.76   116.899   118.329 3.7156  116.444 3.7481  1.885696       5.277685 
1 1 1 -5  -22 25 o 28.245  2.2093  108.947   16.402    109.685   23.971    108.296   22.492    28.319  3.2174  28.170  3.0285  0.1483917      4.418529 
1 1 1 -5  -22 26 o 67.150  2.0366  608.313   36.615    617.716   52.699    599.538   50.911    67.646  2.9085  66.653  2.8517  0.9925766      4.073247 
1 1 1 -5  -22 27 o 19.775  2.7478  54.724    14.022    78.886    20.744    34.394    19.028    23.908  3.3298  15.641  4.3721  8.266932       5.495677 
1 1 1 -5  -22 28 o 43.801  1.9609  260.152   22.854    263.054   33.308    257.570   31.414    44.019  2.8402  43.583  2.7044  0.4355736      3.921783 
1 1 1 -5  -22 29 o 23.051  2.6384  75.804    15.392    58.086    22.228    92.127    21.336    20.226  4.2388  25.876  3.1429  -5.650105      5.276843 
1 1 1 -5  -22 30 o 24.732  2.5934  86.284    16.356    68.899    23.282    103.226   22.983    22.083  4.0867  27.381  3.1939  -5.297825      5.186721 
1 1 1 -5  -22 31 o 46.231  2.0596  291.057   25.365    299.401   36.461    283.232   35.309    46.873  2.9186  45.588  2.9068  1.284962       4.119217 
1 1 1 -5  -22 32 o 60.112  2.1076  493.633   33.756    457.810   48.308    527.817   47.189    57.886  3.1273  62.337  2.8262  -4.451614      4.215149 
1 1 1 -5  -22 33 o 61.255  2.1265  511.557   34.883    507.927   49.717    515.078   48.957    61.029  3.0414  61.482  2.9729  -0.4527435     4.253038 
1 1 1 -5  -22 34 o 20.336  3.2082  60.040    17.086    69.826    24.375    50.586    23.957    22.051  4.2813  18.621  4.7793  3.429565       6.416495 
1 1 1 -5  -22 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -22 36 o 51.989  2.2420  373.630   31.036    397.682   44.395    350.638   43.404    53.665  3.1018  50.313  3.2380  3.352783       4.483950 
1 1 1 -5  -22 37 o 21.277  3.1372  69.102    17.882    32.474    25.286    105.743   25.291    15.220  5.1820  27.333  3.5375  -12.11293      6.274304 
1 1 1 -5  -22 38 o 21.306  3.3783  68.603    19.086    47.995    26.577    90.550    27.427    17.760  5.2327  24.853  4.2743  -7.092726      6.756534 
1 1 1 -5  -22 39 o 27.751  2.9837  114.487   21.140    132.920   29.466    94.934    30.348    30.398  3.6950  25.104  4.6857  5.293985       5.967312 
1 1 1 -5  -22 40 o 29.324  2.8838  127.171   21.954    117.136   31.171    137.048   30.925    28.018  4.2902  30.629  3.8549  -2.611147      5.767652 
1 1 1 -5  -22 41 o 21.783  3.3660  75.714    19.519    104.090   27.679    47.640    27.530    26.386  4.0454  17.180  5.3810  9.205511       6.732080 
1 1 1 -5  -22 42 o 19.335  3.8071  62.540    20.755    72.980    28.718    51.124    30.032    21.184  5.1184  17.486  5.6371  3.697298       7.614153 
1 1 1 -5  -22 43 o 14.007  3.6922  28.182    18.950    17.882    26.390    39.145    27.227    12.496  5.0647  15.518  5.3738  -3.021946      7.384317 
1 1 1 -5  -22 44 f 19.953  3.8780  69.659    21.951    83.898    29.971    53.185    32.239    22.507  5.0907  17.399  5.8516  5.108562       7.756061 
1 1 1 -5  -22 45 o 12.202  3.3962  5.1918    20.150    44.429    27.765    -38.4677  29.288    16.018  5.4302  8.3856  4.0806  7.632733       6.792485 
1 1 1 -5  -22 46 o 14.151  3.6254  22.636    21.279    -15.0208  29.143    65.635    31.141    9.5526  4.4848  18.749  5.6974  -9.196589      7.250784 
1 1 1 -5  -22 47 o 8.7200  2.9328  -19.7033  18.966    -9.2563   25.702    -32.1941  28.104    9.2036  4.2850  8.2364  4.0055  0.9672632      5.865594 
1 1 1 -5  -21 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -21 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -21 3  f 214.836 4.1842  6250.53   240.739   6394.58   341.415   6108.08   339.505   217.319 5.8654  212.353 5.9690  4.965302       8.368471 
1 1 1 -5  -21 4  o 54.750  1.9068  402.325   27.962    406.836   39.610    397.845   39.478    55.056  2.6860  54.444  2.7072  0.6126938      3.813605 
1 1 1 -5  -21 5  o 124.922 2.7454  2099.21   91.850    2073.84   130.362   2124.21   129.435   124.167 3.9197  125.676 3.8451  -1.509132      5.490805 
1 1 1 -5  -21 6  o 57.765  1.9213  447.912   29.712    464.175   42.041    431.683   41.997    58.815  2.6687  56.715  2.7646  2.099892       3.842512 
1 1 1 -5  -21 7  o 74.499  2.0786  745.417   41.442    780.117   58.586    710.666   58.629    76.239  2.8690  72.759  3.0084  3.480614       4.157107 
1 1 1 -5  -21 8  o 101.193 2.3640  1375.41   64.069    1394.60   90.599    1356.22   90.616    101.901 3.3194  100.485 3.3668  1.416145       4.727933 
1 1 1 -5  -21 9  o 138.056 2.8737  2563.63   106.238   2631.53   150.303   2495.83   150.184   139.891 4.0114  136.222 4.1161  3.669174       5.747478 
1 1 1 -5  -21 10 o 138.002 2.9205  2561.51   107.950   2554.21   152.418   2568.86   152.913   137.805 4.1294  138.199 4.1309  -0.3944702     5.840909 
1 1 1 -5  -21 11 o 161.252 3.2629  3501.06   140.925   3478.22   198.959   3524.06   199.639   160.723 4.6216  161.781 4.6071  -1.058319      6.525721 
1 1 1 -5  -21 12 o 90.162  2.2051  1091.14   53.235    1052.65   74.698    1130.86   75.888    88.545  3.1496  91.780  3.0870  -3.234917      4.410204 
1 1 1 -5  -21 13 o 217.744 4.2415  6409.31   247.360   6321.45   349.315   6497.67   350.326   216.236 6.0311  219.252 5.9654  -3.015518      8.482961 
1 1 1 -5  -21 14 o 134.488 2.8141  2432.47   101.368   2422.55   142.743   2442.56   143.977   134.212 3.9708  134.763 3.9887  -0.5505981     5.628214 
1 1 1 -5  -21 15 o 129.247 2.7480  2246.48   95.131    2234.56   133.934   2258.61   135.145   128.902 3.8792  129.592 3.8934  -0.6899719     5.496077 
1 1 1 -5  -21 16 o 79.973  2.0785  858.812   44.514    866.367   62.515    851.042   63.399    80.332  2.9054  79.614  2.9731  0.7182465      4.156975 
1 1 1 -5  -21 17 o 168.978 3.3971  3851.43   153.742   3893.88   217.025   3808.67   217.826   169.922 4.7684  168.035 4.8397  1.887054       6.794155 
1 1 1 -5  -21 18 f 136.365 2.8813  2503.91   105.237   2494.27   148.457   2513.64   149.202   136.101 4.0724  136.628 4.0771  -0.5266113     5.762525 
1 1 1 -5  -21 19 o 77.228  2.0683  801.412   42.767    824.452   60.370    778.199   60.596    78.346  2.8768  76.109  2.9725  2.236900       4.136609 
1 1 1 -5  -21 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -21 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -21 22 o 37.388  2.7183  180.242   24.370    167.361   28.535    214.956   46.844    35.143  3.0621  39.632  4.4922  -4.489277      5.436554 
1 1 1 -5  -21 23 o 84.231  2.1675  954.493   48.893    979.459   69.744    930.365   68.561    85.316  3.0520  83.146  3.0786  2.169090       4.335026 
1 1 1 -5  -21 24 o 17.271  2.9760  42.156    13.670    37.483    19.854    46.367    18.850    16.366  4.4237  18.176  3.9820  -1.810629      5.951977 
1 1 1 -5  -21 25 o 31.030  2.1267  130.414   17.341    150.788   25.330    112.441   23.791    33.344  2.8639  28.715  3.1447  4.629644       4.253362 
1 1 1 -5  -21 26 o 71.913  2.0757  696.296   39.959    727.794   57.537    666.948   55.539    73.484  2.9232  70.341  2.9478  3.142578       4.151468 
1 1 1 -5  -21 27 o 28.429  2.2612  110.627   16.834    109.480   24.971    111.582   22.792    28.261  3.3651  28.597  3.0213  -0.3365479     4.522364 
1 1 1 -5  -21 28 o 43.857  1.9770  260.328   23.084    267.373   33.477    253.941   31.873    44.418  2.8285  43.296  2.7629  1.122684       3.953964 
1 1 1 -5  -21 29 o 33.300  2.1262  151.706   18.687    142.161   26.963    160.529   25.923    32.249  3.1622  34.350  2.8431  -2.101070      4.252348 
1 1 1 -5  -21 30 o 57.304  2.0338  444.785   31.049    494.192   44.636    398.466   43.219    60.451  2.7567  54.156  2.9910  6.295479       4.067642 
1 1 1 -5  -21 31 o 62.510  2.0886  530.466   34.931    511.855   49.967    548.255   48.850    61.414  3.0376  63.606  2.8673  -2.191803      4.177138 
1 1 1 -5  -21 32 o 79.894  2.2625  869.624   48.371    837.211   68.931    901.068   67.893    78.392  3.2829  81.396  3.1141  -3.003860      4.524911 
1 1 1 -5  -21 33 o 19.849  3.1008  58.330    16.537    32.067    23.781    82.919    23.011    15.347  5.0213  24.351  3.6396  -9.003835      6.201632 
1 1 1 -5  -21 34 o 43.434  2.2044  260.095   25.323    237.671   36.615    280.654   35.059    41.554  3.3174  45.314  2.9038  -3.759949      4.408790 
1 1 1 -5  -21 35 o 46.356  2.2417  296.757   27.521    267.819   39.328    324.526   38.525    44.049  3.3586  48.664  2.9698  -4.614761      4.483316 
1 1 1 -5  -21 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -21 37 o 34.775  2.5029  169.672   22.948    165.523   33.122    173.501   31.824    34.310  3.6607  35.241  3.4142  -0.9316635     5.005741 
1 1 1 -5  -21 38 o 12.196  3.0567  11.039    15.339    37.128    20.954    -19.0851  22.516    15.868  4.6380  8.5245  3.9828  7.343735       6.113423 
1 1 1 -5  -21 39 o 14.568  3.5974  29.254    17.364    23.861    24.087    35.087    25.053    13.630  5.0162  15.507  5.1578  -1.876448      7.194744 
1 1 1 -5  -21 40 o 39.854  2.5687  227.962   26.974    204.168   38.123    251.813   38.170    37.604  3.8388  42.103  3.4140  -4.499054      5.137353 
1 1 1 -5  -21 41 o 13.256  3.2780  15.901    16.462    -7.7929   21.755    47.639    25.179    9.1385  4.1371  17.374  5.0858  -8.235623      6.556007 
1 1 1 -5  -21 42 f 15.975  3.7011  40.166    18.903    52.487    26.310    27.021    27.177    17.996  5.1791  13.954  5.2885  4.041738       7.402126 
1 1 1 -5  -21 43 o 13.726  3.6064  24.931    19.067    42.188    26.111    5.2204    27.907    16.092  5.2614  11.359  4.9338  4.732681       7.212805 
1 1 1 -5  -21 44 o 22.054  3.7837  83.893    23.079    111.718   32.102    54.128    33.203    26.520  4.6908  17.587  5.9382  8.933500       7.567457 
1 1 1 -5  -21 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -21 46 o 18.184  3.8818  59.586    21.217    43.467    30.366    74.962    29.658    15.678  5.6529  20.691  5.3214  -5.013195      7.763517 
1 1 1 -5  -21 47 o 11.603  3.4942  14.436    18.980    15.660    25.111    12.806    28.988    11.561  4.8378  11.645  5.0432  -0.8384514E-01 6.988409 
1 1 1 -5  -20 1  o 99.868  2.3986  1339.93   64.154    1330.62   91.218    1349.04   90.246    99.522  3.4219  100.214 3.3621  -0.6919174     4.797194 
1 1 1 -5  -20 2  o 18.942  2.3969  49.989    11.625    39.516    16.327    60.756    16.554    16.821  3.7223  21.062  3.0209  -4.241432      4.793891 
1 1 1 -5  -20 3  o 70.548  2.0641  668.357   38.971    640.356   55.307    695.970   54.921    69.076  2.9892  72.020  2.8471  -2.944145      4.128117 
1 1 1 -5  -20 4  o 96.063  2.3306  1239.04   59.961    1222.57   85.074    1255.30   84.523    95.427  3.3284  96.700  3.2633  -1.273544      4.661285 
1 1 1 -5  -20 5  o 107.847 2.4859  1562.11   71.797    1532.43   101.782   1591.51   101.291   106.824 3.5572  108.871 3.4735  -2.046623      4.971851 
1 1 1 -5  -20 6  f 53.258  1.8924  381.075   26.935    391.999   38.003    370.047   38.182    54.063  2.6244  52.454  2.7271  1.609238       3.784784 
1 1 1 -5  -20 7  o 32.434  2.0295  142.180   17.446    139.008   24.446    145.473   24.905    32.062  2.8773  32.806  2.8630  -0.7443886     4.059039 
1 1 1 -5  -20 8  o 175.163 3.4692  4129.29   162.763   4152.89   230.354   4105.76   230.009   175.664 4.8958  174.661 4.9165  1.003250       6.938383 
1 1 1 -5  -20 9  o 229.065 4.4114  7083.43   270.623   7224.82   382.836   6942.23   382.602   231.367 6.1776  226.763 6.2992  4.604752       8.822881 
1 1 1 -5  -20 10 o 256.508 4.8487  8896.32   333.128   8932.16   471.031   8860.47   471.197   257.030 6.8419  255.986 6.8722  1.044357       9.697362 
1 1 1 -5  -20 11 o 139.185 2.8935  2603.47   107.868   2617.98   152.125   2588.81   152.974   139.578 4.0691  138.793 4.1149  0.7851257      5.787049 
1 1 1 -5  -20 12 o 191.725 3.7535  4952.17   192.701   4808.09   271.965   5097.44   273.079   188.911 5.3749  194.540 5.2407  -5.630005      7.506947 
1 1 1 -5  -20 13 o 102.052 2.3314  1397.85   63.657    1310.73   89.258    1488.03   90.810    98.811  3.3725  105.293 3.2199  -6.482376      4.662795 
1 1 1 -5  -20 14 o 120.284 2.6021  1943.29   83.831    1938.65   118.003   1948.01   119.115   120.140 3.6670  120.427 3.6928  -0.2871170     5.204193 
1 1 1 -5  -20 15 o 118.980 2.5828  1901.51   82.307    1901.67   115.917   1901.35   116.887   118.987 3.6372  118.974 3.6680  0.1287079E-01  5.165554 
1 1 1 -5  -20 16 o 51.501  1.8726  356.644   25.736    353.785   35.882    359.673   36.933    51.290  2.6207  51.711  2.6756  -0.4216461     3.745242 
1 1 1 -5  -20 17 o 86.540  2.1389  1005.62   49.558    1031.37   69.744    979.360   70.432    87.663  2.9703  85.417  3.0785  2.245842       4.277840 
1 1 1 -5  -20 18 o 120.898 2.5997  1964.20   84.183    1943.29   118.748   1985.33   119.360   120.250 3.6868  121.546 3.6663  -1.295906      5.199474 
1 1 1 -5  -20 19 o 120.136 2.6002  1940.05   83.668    1944.21   118.342   1935.90   118.308   120.266 3.6737  120.007 3.6806  0.2582855      5.200310 
1 1 1 -5  -20 20 o 140.559 2.9661  2659.85   111.665   2631.44   157.970   2688.23   157.867   139.805 4.2185  141.314 4.1708  -1.508896      5.932243 
1 1 1 -5  -20 21 o 161.066 3.2744  3498.84   141.251   3458.06   199.947   3539.46   199.571   160.121 4.6620  162.010 4.5990  -1.889084      6.548708 
1 1 1 -5  -20 22 o 91.180  2.2522  1117.52   55.001    1117.83   78.208    1117.22   77.367    91.190  3.2019  91.169  3.1682  0.2126312E-01  4.504456 
1 1 1 -5  -20 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -20 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -20 25 o 119.217 2.6614  1917.04   84.977    1948.63   121.142   1886.44   119.231   120.184 3.7632  118.250 3.7644  1.933632       5.322860 
1 1 1 -5  -20 26 o 12.203  3.0890  16.032    13.393    5.2247    19.706    25.310    18.258    10.608  4.3471  13.797  4.3899  -3.189608      6.178083 
1 1 1 -5  -20 27 o 158.361 3.2698  3408.73   138.667   3351.45   196.767   3465.24   195.448   157.011 4.6788  159.710 4.5689  -2.698395      6.539552 
1 1 1 -5  -20 28 o 67.747  2.0664  618.931   37.480    617.402   53.765    620.376   52.276    67.658  2.9668  67.835  2.8771  -0.1769714     4.132769 
1 1 1 -5  -20 29 o 31.516  2.2468  135.137   18.617    153.357   27.147    118.960   25.580    33.557  3.0537  29.475  3.2965  4.082090       4.493506 
1 1 1 -5  -20 30 o 38.383  2.0944  200.387   21.336    199.711   30.954    200.999   29.450    38.305  3.0420  38.461  2.8796  -0.1558495     4.188780 
1 1 1 -5  -20 31 o 93.552  2.3691  1188.54   59.357    1214.18   84.482    1163.53   83.414    94.554  3.3358  92.549  3.3649  2.004410       4.738157 
1 1 1 -5  -20 32 o 39.158  2.1450  208.648   22.262    230.358   32.369    189.162   30.666    41.113  2.9592  37.202  3.1060  3.911819       4.289999 
1 1 1 -5  -20 33 o 17.990  3.0591  46.437    14.567    43.892    20.947    48.820    20.271    17.496  4.4573  18.483  4.1910  -0.9871407     6.118200 
1 1 1 -5  -20 34 o 30.643  2.5369  130.895   20.072    157.965   28.759    105.184   28.027    33.892  3.2061  27.395  3.9325  6.497162       5.073795 
1 1 1 -5  -20 35 o 15.057  3.3268  29.922    15.916    13.405    22.390    46.795    22.631    12.141  4.7477  17.973  4.6615  -5.831975      6.653587 
1 1 1 -5  -20 36 o 13.209  3.2126  19.856    14.952    36.329    21.143    3.3750    21.149    15.904  4.6618  10.513  4.4217  5.390798       6.425282 
1 1 1 -5  -20 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -20 38 o 11.916  3.2716  13.392    15.120    7.0240    20.870    20.427    21.937    10.840  4.4617  12.992  4.7861  -2.151163      6.543191 
1 1 1 -5  -20 39 o 8.1244  2.6917  -20.7093  15.084    -9.1655   19.782    -36.7459  23.316    8.6862  3.9376  7.5627  3.6710  1.123411       5.383376 
1 1 1 -5  -20 40 o 38.053  2.6704  208.241   26.458    246.275   37.701    171.330   37.140    41.749  3.4010  34.358  4.1179  7.390976       5.340761 
1 1 1 -5  -20 41 o 33.649  2.6777  164.139   23.685    172.521   33.571    155.833   33.420    34.581  3.6809  32.717  3.8900  1.864681       5.355453 
1 1 1 -5  -20 42 o 18.230  3.6772  53.331    19.044    44.369    26.975    62.237    26.890    16.696  5.3384  19.763  5.0585  -3.067398      7.354383 
1 1 1 -5  -20 43 o 13.403  3.2967  17.380    17.553    -13.8450  24.394    50.910    25.278    9.0967  4.2144  17.709  5.0707  -8.612405      6.593413 
1 1 1 -5  -20 44 o 22.119  3.6202  79.841    21.231    61.689    29.041    100.680   31.117    19.111  5.4222  25.127  4.7983  -6.016150      7.240494 
1 1 1 -5  -20 45 o 12.224  3.5696  14.802    19.467    24.533    26.334    3.0758    28.907    13.266  5.1596  11.182  4.9343  2.083744       7.139230 
1 1 1 -5  -20 46 f 20.898  4.1646  79.137    24.262    74.044    33.045    85.093    35.737    20.236  5.7986  21.560  5.9794  -1.323851      8.329241 
1 1 1 -5  -20 47 o 18.986  4.1418  68.451    23.160    65.403    32.202    71.717    33.333    18.575  5.8200  19.398  5.8944  -0.8226337     8.283541 
1 1 1 -5  -20 48 o 16.535  4.3530  55.237    25.384    42.182    32.464    75.775    40.718    14.774  5.7336  18.296  6.5514  -3.521881      8.706070 
1 1 1 -5  -19 1  o 61.046  1.9357  499.713   31.644    515.227   45.129    484.708   44.384    61.979  2.7185  60.114  2.7565  1.864902       3.871496 
1 1 1 -5  -19 2  o 167.357 3.4186  3768.50   153.231   3729.78   217.283   3806.79   216.125   166.496 4.8723  168.218 4.7967  -1.722015      6.837217 
1 1 1 -5  -19 3  o 124.322 2.7220  2075.71   90.614    2144.50   128.730   2008.15   127.574   126.368 3.8032  122.277 3.8952  4.091530       5.443995 
1 1 1 -5  -19 4  o 207.410 4.0511  5796.26   225.049   5860.44   318.957   5732.63   317.582   208.557 5.7098  206.262 5.7484  2.295151       8.102189 
1 1 1 -5  -19 5  o 99.475  2.3421  1328.27   62.349    1399.23   88.512    1258.39   87.840    102.117 3.2361  96.833  3.3867  5.284325       4.684213 
1 1 1 -5  -19 6  o 24.528  2.1235  82.280    13.505    69.219    18.970    95.700    19.229    22.483  3.2441  26.573  2.7410  -4.090363      4.247036 
1 1 1 -5  -19 7  o 233.404 4.5058  7349.82   281.649   7496.08   398.654   7204.07   397.970   235.738 6.3136  231.070 6.4301  4.667938       9.011539 
1 1 1 -5  -19 8  o 122.519 2.6916  2015.78   88.319    2047.00   124.781   1984.43   125.023   123.473 3.7730  121.566 3.8396  1.907272       5.383150 
1 1 1 -5  -19 9  o 35.062  1.9803  165.878   18.430    164.752   25.550    167.099   26.610    34.942  2.7522  35.182  2.8482  -0.2402916     3.960638 
1 1 1 -5  -19 10 f 103.787 2.3667  1445.36   65.787    1423.29   92.466    1467.99   93.618    102.985 3.3521  104.590 3.3418  -1.605148      4.733335 
1 1 1 -5  -19 11 o 105.601 2.3926  1496.34   67.668    1468.45   95.037    1525.02   96.371    104.602 3.3921  106.599 3.3752  -1.996887      4.785221 
1 1 1 -5  -19 12 o 153.624 3.1447  3172.20   129.398   3145.62   182.467   3199.09   183.530   152.977 4.4532  154.272 4.4415  -1.295975      6.289497 
1 1 1 -5  -19 13 o 59.025  1.8994  467.051   30.014    462.289   41.684    472.177   43.251    58.714  2.6506  59.336  2.7213  -0.6225319     3.798853 
1 1 1 -5  -19 14 o 109.502 2.4284  1609.43   71.222    1606.41   100.140   1612.52   101.315   109.399 3.4175  109.604 3.4511  -0.2053604     4.856887 
1 1 1 -5  -19 15 o 99.559  2.3037  1330.58   61.413    1353.27   86.351    1307.35   87.361    100.421 3.2104  98.697  3.3047  1.724342       4.607302 
1 1 1 -5  -19 16 o 217.173 4.1865  6360.89   243.528   6339.56   343.993   6382.33   344.809   216.807 5.9236  217.539 5.9177  -0.7317505     8.373082 
1 1 1 -5  -19 17 o 110.508 2.4222  1639.41   71.692    1621.01   101.050   1658.06   101.730   109.883 3.4333  111.133 3.4176  -1.250122      4.844332 
1 1 1 -5  -19 18 o 47.134  1.8769  298.910   23.595    298.429   33.071    299.409   33.674    47.097  2.6321  47.170  2.6762  -0.7381058E-01 3.753699 
1 1 1 -5  -19 19 o 142.406 2.9602  2726.85   112.904   2759.44   159.737   2694.32   159.605   143.259 4.1629  141.553 4.2096  1.706512       5.920311 
1 1 1 -5  -19 20 o 60.852  1.9180  496.864   31.258    491.974   44.440    501.651   43.973    60.554  2.7400  61.149  2.6848  -0.5948524     3.836066 
1 1 1 -5  -19 21 o 64.580  1.9652  559.287   33.967    591.441   48.679    528.775   47.419    66.389  2.7375  62.770  2.8204  3.619373       3.930466 
1 1 1 -5  -19 22 o 15.436  3.0688  32.859    13.887    18.445    20.263    45.624    19.069    12.811  4.6180  18.061  4.0427  -5.249845      6.137518 
1 1 1 -5  -19 23 o 212.655 4.1494  6124.70   236.313   6019.99   334.836   6228.61   333.562   210.819 5.9297  214.491 5.8060  -3.671570      8.298865 
1 1 1 -5  -19 24 o 75.116  2.0929  758.542   42.062    747.264   60.652    768.992   58.383    74.571  3.0366  75.660  2.8809  -1.089180      4.185753 
1 1 1 -5  -19 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -19 26 o 12.461  3.2182  16.552    14.056    21.494    20.461    12.136    19.342    13.348  4.6564  11.575  4.4435  1.773047       6.436360 
1 1 1 -5  -19 27 o 54.527  2.0118  400.872   29.253    405.439   42.394    396.720   40.418    54.817  2.8976  54.237  2.7917  0.5797157      4.023648 
1 1 1 -5  -19 28 o 132.896 2.9009  2392.09   103.234   2346.28   146.633   2437.10   145.365   131.614 4.1595  134.178 4.0447  -2.564011      5.801825 
1 1 1 -5  -19 29 o 60.067  2.0518  486.071   32.996    495.998   47.518    476.827   45.855    60.656  2.9248  59.478  2.8783  1.177563       4.103540 
1 1 1 -5  -19 30 f 116.242 2.6592  1833.21   82.793    1838.38   117.622   1828.13   116.560   116.399 3.7727  116.084 3.7488  0.3154755      5.318486 
1 1 1 -5  -19 31 o 118.342 2.7134  1905.86   86.000    1884.25   121.967   1927.22   121.281   117.659 3.8702  119.025 3.8042  -1.366219      5.426816 
1 1 1 -5  -19 32 o 55.996  2.0985  425.375   31.325    454.615   44.986    397.852   43.644    57.882  2.9109  54.110  3.0234  3.771984       4.196993 
1 1 1 -5  -19 33 o 35.570  2.2471  174.169   21.048    157.583   30.309    189.617   29.251    33.861  3.3874  37.280  2.9536  -3.419113      4.494204 
1 1 1 -5  -19 34 o 23.075  2.8572  76.323    16.587    109.767   24.112    46.277    22.855    28.210  3.2506  17.941  4.6998  10.26874       5.714407 
1 1 1 -5  -19 35 o 39.920  2.2596  218.761   23.952    215.338   34.087    222.098   33.662    39.595  3.2425  40.244  3.1480  -0.6488914     4.519233 
1 1 1 -5  -19 36 o 74.510  2.3315  760.529   46.512    738.007   65.919    782.861   65.639    73.383  3.3537  75.638  3.2399  -2.254608      4.663090 
1 1 1 -5  -19 37 o 58.114  3.2946  465.358   51.072    0.0000    0.0000    465.358   51.072    ?       ?       58.114  3.2946  ?              ?        
1 1 1 -5  -19 38 o 13.944  3.4577  24.437    16.274    15.676    22.451    34.135    23.622    12.376  4.7778  15.512  4.9994  -3.135756      6.915313 
1 1 1 -5  -19 39 o 9.2723  2.8955  -6.5896   14.382    -15.9268  19.732    3.9941    21.008    8.0867  3.7615  10.458  4.4031  -2.371299      5.791076 
1 1 1 -5  -19 40 o 33.050  2.7323  156.733   23.648    167.661   33.222    145.509   33.669    34.335  3.6693  31.764  4.0495  2.571058       5.464602 
1 1 1 -5  -19 41 f 32.206  2.8754  152.601   23.751    180.616   33.386    123.894   33.795    35.566  3.5521  28.846  4.5227  6.719395       5.750824 
1 1 1 -5  -19 42 o 22.541  3.4691  81.293    20.782    110.496   29.060    50.725    29.731    27.289  4.1028  17.793  5.5951  9.495752       6.938166 
1 1 1 -5  -19 43 o 20.467  3.6735  68.560    20.389    79.068    27.997    56.692    29.751    22.414  4.8076  18.521  5.5556  3.892889       7.346950 
1 1 1 -5  -19 44 o 20.624  3.8424  71.521    21.583    76.622    29.518    65.659    31.639    21.630  5.1660  19.617  5.6893  2.013365       7.684733 
1 1 1 -5  -19 45 o 11.260  3.3746  9.0723    17.234    7.2130    21.987    12.035    27.754    10.572  4.4808  11.948  5.0473  -1.375422      6.749251 
1 1 1 -5  -19 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -19 47 o 10.653  3.1294  3.3939    14.071    28.912    25.807    -7.4034   16.787    13.550  5.1491  7.7566  3.5582  5.793063       6.258878 
1 1 1 -5  -19 48 o 13.055  3.4062  28.596    15.645    19.279    29.260    32.327    18.514    12.266  5.1821  13.844  4.4222  -1.578094      6.812466 
1 1 1 -5  -18 1  o 136.415 2.8672  2499.18   104.750   2553.22   148.857   2446.18   147.432   137.877 4.0308  134.952 4.0787  2.925735       5.734366 
1 1 1 -5  -18 2  o 106.504 2.4565  1522.15   70.062    1564.83   99.603    1480.36   98.570    107.983 3.4437  105.024 3.5040  2.958984       4.912960 
1 1 1 -5  -18 3  o 78.582  2.1142  828.465   44.488    809.445   63.066    847.306   62.767    77.682  3.0310  79.481  2.9483  -1.799400      4.228428 
1 1 1 -5  -18 4  o 159.005 3.2763  3398.37   139.528   3443.53   197.820   3353.66   196.828   160.059 4.6143  157.951 4.6524  2.107330       6.552543 
1 1 1 -5  -18 5  o 145.709 3.0311  2852.45   118.274   2923.15   167.624   2782.35   166.906   147.512 4.2425  143.906 4.3302  3.605667       6.062110 
1 1 1 -5  -18 6  o 80.474  2.0731  868.791   44.671    894.149   63.129    843.362   63.219    81.652  2.8865  79.295  2.9765  2.356339       4.146287 
1 1 1 -5  -18 7  o 168.531 3.3668  3818.58   151.981   3809.04   214.938   3828.12   214.929   168.319 4.7675  168.742 4.7554  -0.4227600     6.733675 
1 1 1 -5  -18 8  o 131.616 2.7744  2326.10   97.801    2290.97   138.103   2361.46   138.521   130.617 3.9474  132.615 3.8997  -1.998474      5.548856 
1 1 1 -5  -18 9  o 130.895 2.7653  2300.85   96.911    2215.13   136.571   2387.80   137.539   128.434 3.9700  133.357 3.8505  -4.922729      5.530591 
1 1 1 -5  -18 10 f 252.291 4.8334  8593.60   326.617   8607.52   461.534   8579.63   462.280   252.499 6.8242  252.083 6.8465  0.4160309      9.666715 
1 1 1 -5  -18 11 o 189.918 3.7231  4853.92   189.386   4797.20   267.321   4911.07   268.347   188.801 5.2862  191.036 5.2444  -2.234909      7.446270 
1 1 1 -5  -18 12 o 76.062  2.0015  775.572   40.768    757.770   56.950    794.282   58.386    75.168  2.8286  76.957  2.8325  -1.789482      4.003000 
1 1 1 -5  -18 13 o 109.704 2.4230  1615.01   71.194    1591.79   100.147   1638.74   101.228   108.907 3.4332  110.502 3.4201  -1.595367      4.846030 
1 1 1 -5  -18 14 o 105.855 2.3828  1503.75   67.557    1500.63   95.112    1506.93   95.973    105.745 3.3581  105.965 3.3814  -0.2201080     4.765535 
1 1 1 -5  -18 15 o 113.380 2.4887  1725.50   75.577    1716.71   106.420   1734.44   107.351   113.089 3.5133  113.671 3.5259  -0.5815887     4.977421 
1 1 1 -5  -18 16 o 65.237  1.9081  570.760   33.320    544.733   46.870    597.354   47.378    63.731  2.7457  66.742  2.6503  -3.010498      3.816111 
1 1 1 -5  -18 17 o 159.172 3.2143  3406.60   137.031   3358.43   193.568   3455.00   194.015   158.040 4.5727  160.304 4.5186  -2.263702      6.428656 
1 1 1 -5  -18 18 o 60.917  1.9096  497.683   31.158    502.508   44.158    492.899   43.970    61.211  2.6934  60.623  2.7079  0.5885429      3.819270 
1 1 1 -5  -18 19 o 226.247 4.3627  6908.57   264.370   6982.94   374.230   6834.48   373.523   227.471 6.1422  225.024 6.1972  2.446609       8.725399 
1 1 1 -5  -18 20 o 59.796  1.9167  480.135   30.664    462.227   43.822    497.318   42.924    58.700  2.7872  60.893  2.6318  -2.192844      3.833335 
1 1 1 -5  -18 21 o 140.732 2.9429  2662.75   110.929   2672.83   157.508   2652.82   156.255   140.995 4.1707  140.469 4.1530  0.5263672      5.885788 
1 1 1 -5  -18 22 o 126.450 2.7333  2149.22   92.568    2146.05   131.644   2152.33   130.190   126.355 3.8897  126.545 3.8410  -0.1905365     5.466566 
1 1 1 -5  -18 23 o 101.928 2.3911  1394.90   65.258    1447.29   93.387    1344.91   91.229    103.799 3.3589  100.057 3.4041  3.742538       4.782269 
1 1 1 -5  -18 24 o 146.014 3.0606  2871.02   119.693   2894.22   170.357   2848.40   168.207   146.594 4.3386  145.433 4.3181  1.161011       6.121247 
1 1 1 -5  -18 25 o 76.300  2.1253  782.453   43.404    771.281   62.319    792.979   60.487    75.766  3.0708  76.835  2.9391  -1.068726      4.250691 
1 1 1 -5  -18 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -18 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -18 28 o 158.858 3.3477  3421.13   142.436   3400.45   202.075   3441.55   200.802   158.369 4.7638  159.347 4.7047  -0.9781494     6.695379 
1 1 1 -5  -18 29 o 79.086  2.2089  843.191   46.774    829.015   66.649    856.949   65.659    78.423  3.1729  79.749  3.0739  -1.326141      4.417711 
1 1 1 -5  -18 30 o 100.173 2.4567  1356.43   65.912    1360.75   93.693    1352.20   92.743    100.328 3.4866  100.019 3.4619  0.3088608      4.913310 
1 1 1 -5  -18 31 o 38.783  2.1258  204.427   21.895    200.436   31.327    208.238   30.613    38.398  3.0716  39.167  2.9395  -0.7687721     4.251534 
1 1 1 -5  -18 32 o 65.084  2.1431  572.997   37.357    583.272   53.190    562.995   52.479    65.661  3.0244  64.507  3.0373  1.154182       4.286249 
1 1 1 -5  -18 33 o 44.750  2.1449  272.838   25.482    298.055   36.278    248.278   35.802    46.831  2.9065  42.668  3.1550  4.162872       4.289732 
1 1 1 -5  -18 34 o 10.968  2.9781  9.5755    12.720    0.7701    17.591    19.224    18.414    9.4102  3.9990  12.526  4.4141  -3.115837      5.956209 
1 1 1 -5  -18 35 o 40.198  2.2257  221.526   23.743    212.408   33.855    230.352   33.308    39.351  3.2408  41.044  3.0516  -1.692295      4.451396 
1 1 1 -5  -18 36 o 24.642  2.9280  87.330    18.306    109.052   25.838    65.439    25.939    28.003  3.5228  21.282  4.6779  6.720583       5.855995 
1 1 1 -5  -18 37 o 11.067  3.1138  8.8464    14.057    15.703    20.045    2.2129    19.717    12.078  4.5504  10.057  4.2517  2.020825       6.227571 
1 1 1 -5  -18 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -18 39 o 27.327  2.8938  107.206   20.463    112.744   28.422    101.245   29.485    28.165  3.8699  26.488  4.3035  1.676804       5.787595 
1 1 1 -5  -18 40 o 15.823  3.4524  36.115    17.360    53.037    23.650    16.343    25.564    18.826  4.7036  12.820  5.0548  6.005303       6.904729 
1 1 1 -5  -18 41 o 30.101  2.9492  132.146   23.100    133.567   31.937    130.587   33.454    30.353  4.0277  29.849  4.3092  0.5039463      5.898475 
1 1 1 -5  -18 42 o 27.253  3.2012  113.539   22.123    133.153   30.415    91.502    32.238    30.250  3.8404  24.257  5.1226  5.992746       6.402346 
1 1 1 -5  -18 43 o 19.071  3.6094  59.541    19.833    79.011    26.992    36.697    29.237    22.611  4.6131  15.532  5.5526  7.079281       7.218875 
1 1 1 -5  -18 44 o 12.074  3.4720  13.830    17.767    6.0332    24.208    22.933    26.156    10.907  4.6644  13.240  5.1442  -2.333747      6.944037 
1 1 1 -5  -18 45 o 18.274  3.5996  55.768    20.876    86.854    28.647    20.561    30.486    23.321  4.7474  13.226  5.4121  10.09449       7.199215 
1 1 1 -5  -18 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -18 47 o 16.072  3.5819  38.704    16.193    62.513    29.849    28.775    19.276    18.707  5.5542  13.437  4.5247  5.270152       7.163895 
1 1 1 -5  -18 48 o 8.0557  2.6832  -11.2948  13.357    -13.9407  25.533    -10.2978  15.673    8.9653  4.2055  7.1460  3.3334  1.819363       5.366396 
1 1 1 -5  -17 1  f 120.163 2.6692  1938.30   85.906    1944.10   122.021   1932.60   120.966   120.340 3.7856  119.985 3.7640  0.3549347      5.338368 
1 1 1 -5  -17 2  o 116.895 2.5581  1833.99   80.090    1831.10   113.789   1836.83   112.747   116.802 3.6371  116.988 3.5981  -0.1854324     5.116161 
1 1 1 -5  -17 3  o 101.017 2.3476  1368.97   63.515    1388.90   90.202    1349.38   89.449    101.746 3.3099  100.287 3.3300  1.459274       4.695118 
1 1 1 -5  -17 4  o 75.892  2.0207  772.534   41.055    802.609   58.187    742.717   57.935    77.365  2.8080  74.419  2.9065  2.945908       4.041322 
1 1 1 -5  -17 5  o 136.169 2.8491  2489.76   103.900   2543.99   147.209   2435.93   146.666   137.650 3.9927  134.688 4.0655  2.961609       5.698241 
1 1 1 -5  -17 6  o 96.575  2.2884  1251.27   59.188    1272.51   83.674    1230.01   83.736    97.397  3.2074  95.754  3.2649  1.643250       4.576790 
1 1 1 -5  -17 7  o 163.085 3.2781  3574.50   143.170   3653.48   202.494   3495.55   202.452   164.893 4.5848  161.278 4.6866  3.615219       6.556277 
1 1 1 -5  -17 8  o 162.175 3.2521  3534.27   141.258   3571.88   199.580   3496.53   199.958   163.043 4.5701  161.307 4.6280  1.735611       6.504187 
1 1 1 -5  -17 9  o 71.144  1.9261  678.395   36.696    659.111   51.364    698.499   52.444    70.112  2.7351  72.177  2.7127  -2.065216      3.852257 
1 1 1 -5  -17 10 o 235.511 4.4935  7476.27   283.453   7487.14   400.460   7465.35   401.268   235.685 6.3436  235.337 6.3658  0.3484192      8.986960 
1 1 1 -5  -17 11 o 155.502 3.0760  3248.41   128.096   3167.28   180.669   3330.42   181.644   153.545 4.3930  157.459 4.3069  -3.914108      6.152040 
1 1 1 -5  -17 12 o 219.198 4.2280  6472.62   248.232   6458.02   350.643   6487.29   351.464   218.951 5.9790  219.446 5.9795  -0.4954987     8.455939 
1 1 1 -5  -17 13 o 217.224 4.1999  6356.88   244.357   6387.36   345.261   6326.30   345.887   217.750 5.9197  216.698 5.9592  1.051682       8.399714 
1 1 1 -5  -17 14 o 38.790  1.7651  202.864   18.212    210.798   25.414    194.488   26.111    39.581  2.4086  37.999  2.5808  1.582180       3.530105 
1 1 1 -5  -17 15 o 85.460  2.0837  979.857   47.684    998.443   67.145    960.946   67.729    86.280  2.9055  84.641  2.9875  1.639214       4.167325 
1 1 1 -5  -17 16 o 130.081 2.7188  2272.31   94.724    2301.19   133.867   2243.36   134.052   130.911 3.8177  129.251 3.8721  1.660019       5.437695 
1 1 1 -5  -17 17 o 200.979 3.9055  5439.99   210.240   5458.46   297.407   5421.54   297.242   201.322 5.5153  200.636 5.5311  0.6852570      7.811013 
1 1 1 -5  -17 18 o 82.359  2.0614  909.882   45.472    907.101   64.474    912.635   64.142    82.233  2.9272  82.485  2.9032  -0.2515335     4.122757 
1 1 1 -5  -17 19 o 186.487 3.6686  4681.84   183.230   4763.48   259.662   4600.88   258.595   188.113 5.1535  184.861 5.2226  3.251266       7.337158 
1 1 1 -5  -17 20 o 157.262 3.2075  3325.51   135.099   3380.80   191.742   3271.01   190.383   158.563 4.5147  155.961 4.5575  2.601929       6.415034 
1 1 1 -5  -17 21 o 57.834  1.9525  450.042   30.129    432.066   43.459    466.677   41.806    56.679  2.8720  58.988  2.6460  -2.309242      3.905094 
1 1 1 -5  -17 22 o 101.601 2.3992  1386.59   65.258    1358.19   93.153    1413.96   91.448    100.574 3.4579  102.628 3.3267  -2.053940      4.798389 
1 1 1 -5  -17 23 o 93.849  2.3071  1183.74   57.931    1142.88   82.895    1222.75   80.993    92.257  3.3546  95.440  3.1683  -3.182915      4.614258 
1 1 1 -5  -17 24 o 115.242 2.5965  1784.41   80.135    1801.93   114.553   1767.61   112.143   115.794 3.6935  114.690 3.6505  1.103447       5.193065 
1 1 1 -5  -17 25 o 76.829  2.1357  792.660   43.914    790.501   63.354    794.656   60.925    76.724  3.0828  76.934  2.9566  -0.2097321     4.271447 
1 1 1 -5  -17 26 o 129.464 2.8164  2256.11   97.648    2314.66   139.008   2199.07   137.201   131.126 3.9579  127.802 4.0080  3.324326       5.632839 
1 1 1 -5  -17 27 o 158.071 3.2906  3374.97   139.304   3331.98   197.593   3417.44   196.425   157.058 4.6970  159.085 4.6098  -2.026352      6.581182 
1 1 1 -5  -17 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -17 29 o 198.227 3.9573  5353.17   210.074   5241.86   297.291   5464.18   296.887   196.131 5.6591  200.322 5.5331  -4.191833      7.914618 
1 1 1 -5  -17 30 o 104.170 2.5160  1465.29   70.198    1482.61   99.665    1448.23   98.890    104.783 3.5511  103.557 3.5652  1.225533       5.031996 
1 1 1 -5  -17 31 o 20.507  2.9263  59.754    15.548    80.914    22.263    39.608    21.724    24.213  3.5372  16.801  4.6628  7.411627       5.852664 
1 1 1 -5  -17 32 o 22.743  2.7137  71.940    15.872    83.401    23.047    61.598    21.892    24.548  3.6132  20.939  4.0498  3.609009       5.427321 
1 1 1 -5  -17 33 f 98.106  2.4886  1307.60   65.392    1317.34   92.356    1297.80   92.601    98.480  3.5013  97.732  3.5375  0.7477264      4.977211 
1 1 1 -5  -17 34 o 51.465  2.1314  360.415   29.200    387.507   41.590    334.077   41.007    53.404  2.9186  49.526  3.1070  3.878216       4.262833 
1 1 1 -5  -17 35 o 85.134  2.3780  987.691   54.211    955.566   76.117    1020.76   77.226    83.716  3.3946  86.553  3.3312  -2.837105      4.756021 
1 1 1 -5  -17 36 o 88.006  2.4543  1059.18   57.845    1032.97   81.295    1086.05   82.325    86.892  3.4930  89.119  3.4488  -2.227905      4.908690 
1 1 1 -5  -17 37 o 48.300  2.2872  321.607   29.211    363.634   41.349    279.736   41.272    51.557  3.0073  45.044  3.4470  6.512608       4.574435 
1 1 1 -5  -17 38 o 12.279  3.2122  12.822    15.794    31.092    21.190    -10.0120  23.689    14.899  4.7281  9.6577  4.3496  5.241759       6.424476 
1 1 1 -5  -17 39 o 31.784  4.2496  161.248   28.894    169.386   32.868    133.567   60.619    34.793  3.5779  28.776  7.7094  6.017029       8.499200 
1 1 1 -5  -17 40 o 29.731  2.7759  126.525   21.464    133.007   29.641    119.378   31.123    30.651  3.6842  28.810  4.1532  1.841074       5.551800 
1 1 1 -5  -17 41 o 48.180  2.4684  328.657   31.450    353.187   43.519    301.839   45.502    50.236  3.2517  46.124  3.7146  4.112164       4.936750 
1 1 1 -5  -17 42 o 25.010  3.2764  94.922    21.031    104.205   28.967    84.575    30.583    26.575  4.2099  23.445  5.0215  3.129955       6.552723 
1 1 1 -5  -17 43 o 8.0752  2.6921  -17.9659  14.682    -12.5567  18.164    -28.1598  24.936    7.8365  3.6327  8.3138  3.9740  -0.4773436     5.384170 
1 1 1 -5  -17 44 o 16.007  3.0044  44.125    14.717    12.044    25.658    59.854    17.966    11.853  4.9189  20.161  3.4510  -8.308626      6.008772 
1 1 1 -5  -17 45 o 33.377  2.5653  163.316   21.707    169.179   35.923    159.943   27.243    33.429  4.0978  33.326  3.0871  0.1034203      5.130547 
1 1 1 -5  -17 46 f 7.0128  2.4303  -30.0970  11.894    -9.9887   23.494    -37.0266  13.792    9.1275  4.1953  4.8981  2.4545  4.229435       4.860548 
1 1 1 -5  -17 47 o 12.501  3.2741  10.404    13.821    49.475    28.080    -2.0879   15.877    16.844  5.4531  8.1571  3.6252  8.687128       6.548161 
1 1 1 -5  -17 48 o 18.339  3.5725  53.377    17.103    77.976    31.020    42.634    20.500    20.760  5.4933  15.918  4.5689  4.841297       7.145021 
1 1 1 -5  -17 49 f 18.962  3.6821  61.246    18.458    88.985    32.492    48.028    22.429    21.563  5.5821  16.361  4.8032  5.201881       7.364151 
1 1 1 -5  -16 1  o 161.709 3.2877  3513.67   142.390   3581.24   202.036   3446.99   200.710   163.257 4.6203  160.161 4.6787  3.095932       6.575468 
1 1 1 -5  -16 2  o 191.292 3.7728  4922.22   193.238   5090.28   274.004   4755.92   272.560   194.552 5.2581  188.031 5.4118  6.521332       7.545596 
1 1 1 -5  -16 3  o 155.969 3.1901  3267.63   133.268   3292.26   188.910   3243.23   188.031   156.555 4.5050  155.383 4.5179  1.171616       6.380194 
1 1 1 -5  -16 4  o 154.404 3.1391  3202.27   129.788   3298.44   183.945   3106.92   183.155   156.719 4.3821  152.090 4.4960  4.629166       6.278277 
1 1 1 -5  -16 5  o 158.364 3.2018  3368.54   135.807   3400.10   192.241   3337.11   191.881   159.106 4.5110  157.622 4.5449  1.484207       6.403539 
1 1 1 -5  -16 6  o 134.084 2.7924  2413.61   100.252   2488.97   141.813   2338.32   141.742   136.181 3.8878  131.987 4.0094  4.194550       5.584856 
1 1 1 -5  -16 7  o 203.162 3.9332  5551.89   214.021   5618.44   302.597   5485.27   302.746   204.385 5.5275  201.938 5.5972  2.447632       7.866481 
1 1 1 -5  -16 8  o 118.918 2.5609  1897.75   81.551    1937.39   115.063   1857.74   115.600   120.168 3.5749  117.667 3.6679  2.501396       5.121816 
1 1 1 -5  -16 9  o 141.911 2.9007  2703.61   110.249   2729.18   155.595   2677.82   156.238   142.587 4.0740  141.234 4.1301  1.352570       5.801320 
1 1 1 -5  -16 10 o 130.640 2.7212  2290.64   95.212    2311.60   134.291   2269.45   135.011   131.243 3.8202  130.037 3.8763  1.205994       5.442346 
1 1 1 -5  -16 11 f 73.136  1.8976  716.914   37.163    694.509   52.142    740.045   52.980    71.975  2.7047  74.298  2.6622  -2.323280      3.795110 
1 1 1 -5  -16 12 o 113.919 2.4755  1741.24   75.531    1752.82   106.495   1729.53   107.142   114.301 3.4785  113.537 3.5232  0.7645569      4.951006 
1 1 1 -5  -16 13 o 191.739 3.7083  4944.55   190.423   5025.83   269.063   4862.98   269.534   193.325 5.1961  190.153 5.2920  3.172226       7.416524 
1 1 1 -5  -16 14 o 20.948  2.1970  60.682    11.776    49.048    16.637    72.361    16.670    18.829  3.4251  23.068  2.7524  -4.238707      4.393936 
1 1 1 -5  -16 15 o 44.395  1.7370  265.196   20.553    278.964   29.071    251.439   29.060    45.556  2.3908  43.234  2.5204  2.322083       3.473948 
1 1 1 -5  -16 16 o 118.488 2.5593  1884.35   81.223    1892.71   114.860   1875.99   114.874   118.752 3.6111  118.225 3.6276  0.5265884      5.118567 
1 1 1 -5  -16 17 o 83.280  2.0644  930.176   46.045    946.798   65.321    913.761   64.916    84.020  2.9026  82.540  2.9363  1.480316       4.128757 
1 1 1 -5  -16 18 o 162.257 3.2464  3539.72   141.069   3480.29   199.923   3598.65   199.082   160.895 4.6391  163.620 4.5426  -2.725861      6.492806 
1 1 1 -5  -16 19 o 76.659  2.0215  788.078   41.500    795.073   59.349    781.385   58.051    76.991  2.8780  76.327  2.8395  0.6641006      4.042969 
1 1 1 -5  -16 20 o 135.771 2.8411  2476.02   103.310   2515.10   147.027   2437.91   145.195   136.829 4.0117  134.712 4.0240  2.117325       5.682107 
1 1 1 -5  -16 21 o 128.324 2.7814  2212.71   95.572    2176.26   136.080   2248.20   134.255   127.275 3.9917  129.374 3.8743  -2.098274      5.562771 
1 1 1 -5  -16 22 o 130.660 2.8016  2293.46   98.037    2307.67   139.793   2279.70   137.525   131.056 3.9824  130.264 3.9416  0.7924652      5.603144 
1 1 1 -5  -16 23 o 28.999  2.2995  114.553   17.470    111.062   25.695    117.553   23.823    28.558  3.4277  29.439  3.0663  -0.8806744     4.599018 
1 1 1 -5  -16 24 o 144.004 3.0175  2788.53   116.383   2814.00   165.559   2763.65   163.637   144.653 4.2730  143.355 4.2617  1.298203       6.034965 
1 1 1 -5  -16 25 o 51.261  2.0248  353.022   27.659    376.112   40.087    332.044   38.211    52.865  2.8415  49.658  2.8853  3.206997       4.049531 
1 1 1 -5  -16 26 o 187.737 3.7623  4758.53   189.164   4691.76   268.073   4824.75   266.967   186.412 5.3690  189.063 5.2718  -2.650909      7.524508 
1 1 1 -5  -16 27 o 94.809  2.3520  1208.27   59.719    1205.01   85.171    1211.43   83.757    94.680  3.3585  94.939  3.2937  -0.2584000     4.704054 
1 1 1 -5  -16 28 f 86.710  2.2839  1010.90   53.023    1050.51   75.510    972.366   74.472    88.390  3.1894  85.030  3.2699  3.359825       4.567772 
1 1 1 -5  -16 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -16 30 o 87.635  2.3205  1034.85   54.465    1027.21   77.234    1042.41   76.819    87.310  3.3026  87.960  3.2606  -0.6504898     4.640961 
1 1 1 -5  -16 31 f 91.949  2.3776  1141.72   58.504    1197.95   82.796    1085.65   82.677    94.228  3.2805  89.670  3.4423  4.558472       4.755111 
1 1 1 -5  -16 32 o 18.751  2.9676  49.706    14.551    54.627    20.534    44.743    20.623    19.714  4.0250  17.787  4.3620  1.926470       5.935287 
1 1 1 -5  -16 33 o 64.093  2.1760  555.758   37.339    572.607   52.659    538.720   52.954    65.081  3.0208  63.104  3.1329  1.977448       4.352093 
1 1 1 -5  -16 34 o 26.052  2.6488  94.556    17.739    77.985    24.751    112.054   25.435    23.575  4.0667  28.530  3.3951  -4.955009      5.297670 
1 1 1 -5  -16 35 o 65.849  2.2171  589.327   39.083    601.903   54.778    576.287   55.780    66.583  3.0715  65.114  3.1982  1.469444       4.434283 
1 1 1 -5  -16 36 o 38.698  2.3023  206.179   23.521    226.347   33.071    185.533   33.461    40.687  3.0570  36.709  3.4433  3.977917       4.604546 
1 1 1 -5  -16 37 o 59.495  2.2643  483.994   35.922    459.505   49.962    510.202   51.685    57.922  3.2333  61.068  3.1708  -3.146160      4.528575 
1 1 1 -5  -16 38 o 41.016  2.3624  231.938   25.703    218.487   35.770    246.298   36.958    39.762  3.3910  42.270  3.2902  -2.507912      4.724799 
1 1 1 -5  -16 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -16 40 o 45.267  2.4166  285.176   29.060    273.111   40.187    298.399   42.073    44.260  3.4163  46.273  3.4188  -2.012650      4.833156 
1 1 1 -5  -16 41 o 42.936  2.5268  259.108   28.750    243.807   39.422    276.492   42.020    41.577  3.5747  44.294  3.5721  -2.717136      5.053505 
1 1 1 -5  -16 42 o 14.566  3.6525  28.936    17.877    23.114    24.100    36.059    26.656    13.464  5.0056  15.669  5.3205  -2.205045      7.305067 
1 1 1 -5  -16 43 o 17.830  3.0700  53.616    15.240    25.163    25.631    69.177    18.955    13.768  5.1535  21.893  3.3379  -8.125305      6.140092 
1 1 1 -5  -16 44 o 35.528  2.6026  188.393   23.076    169.078   37.752    199.913   29.156    33.490  4.3085  37.566  2.9206  -4.076328      5.205133 
1 1 1 -5  -16 45 f 30.777  2.6309  135.535   20.551    160.121   34.639    122.180   25.529    32.606  4.0538  28.948  3.3547  3.657339       5.261820 
1 1 1 -5  -16 46 o 9.0998  2.8156  -8.1626   12.450    16.376    22.772    -18.6245  14.869    11.867  4.7414  6.3326  3.0380  5.534492       5.631228 
1 1 1 -5  -16 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -16 48 o 13.804  3.2579  32.400    16.096    3.0952    29.235    45.147    19.281    10.981  4.8972  16.627  4.2980  -5.646044      6.515801 
1 1 1 -5  -16 49 o 20.310  3.5821  63.186    18.990    118.188   34.721    39.712    22.683    25.702  5.2218  14.918  4.9051  10.78361       7.164295 
1 1 1 -5  -15 1  o 301.784 5.7576  12309.44  465.282   12002.00  658.378   12616.20  657.639   297.983 8.2489  305.585 8.0346  -7.601593      11.51517 
1 1 1 -5  -15 2  o 256.634 4.9117  8876.38   337.622   8929.50   478.070   8823.52   476.871   257.403 6.9341  255.865 6.9583  1.537720       9.823401 
1 1 1 -5  -15 3  o 115.688 3.5878  1799.26   111.104   1834.54   155.363   1762.34   158.947   116.857 4.9637  114.518 5.1819  2.338852       7.175669 
1 1 1 -5  -15 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 13 o 43.171  2.5158  247.619   28.559    222.923   37.382    282.240   44.260    40.619  3.4692  45.723  3.6443  -5.103481      5.031512 
1 1 1 -5  -15 14 o 198.201 3.8761  5282.82   205.775   5294.42   290.868   5271.19   291.151   198.420 5.4729  197.982 5.4904  0.4384308      7.752267 
1 1 1 -5  -15 15 o 271.926 5.1432  9979.08   374.559   10154.01  529.898   9804.40   529.516   274.325 7.2117  269.527 7.3348  4.798523       10.28630 
1 1 1 -5  -15 16 o 57.106  1.7734  437.176   27.122    435.869   38.632    438.446   38.087    57.021  2.5294  57.191  2.4863  -0.1692429     3.546802 
1 1 1 -5  -15 17 o 214.398 4.1391  6189.58   237.671   6298.33   336.745   6081.63   335.495   216.282 5.8129  212.513 5.8940  3.769135       8.278217 
1 1 1 -5  -15 18 o 133.174 2.7939  2381.50   99.653    2369.24   141.586   2393.54   140.285   132.832 3.9795  133.516 3.9227  -0.6844025     5.587852 
1 1 1 -5  -15 19 o 133.526 2.7893  2393.87   99.741    2456.85   141.941   2332.44   140.186   135.263 3.9178  131.789 3.9714  3.474091       5.578588 
1 1 1 -5  -15 20 o 143.148 2.9757  2753.22   114.086   2749.67   162.270   2756.70   160.431   143.054 4.2350  143.243 4.1815  -0.1887817     5.951417 
1 1 1 -5  -15 21 o 229.321 4.4245  7095.26   271.762   7100.13   385.422   7090.45   383.247   229.395 6.2728  229.247 6.2415  0.1480408      8.848974 
1 1 1 -5  -15 22 o 139.810 2.9455  2627.00   110.285   2610.34   157.031   2643.21   154.923   139.368 4.2066  140.252 4.1240  -0.8841705     5.890914 
1 1 1 -5  -15 23 o 46.227  2.0154  286.776   24.733    324.217   36.047    253.471   33.999    49.088  2.7528  43.367  2.9444  5.721138       4.030795 
1 1 1 -5  -15 24 o 100.709 2.4194  1361.65   65.254    1364.00   93.083    1359.38   91.505    100.793 3.4479  100.626 3.3950  0.1667938      4.838814 
1 1 1 -5  -15 25 o 188.930 3.7893  4811.87   191.749   4786.53   271.701   4837.01   270.651   188.429 5.3834  189.432 5.3342  -1.002350      7.578531 
1 1 1 -5  -15 26 o 65.015  2.0739  567.095   36.082    601.236   51.578    534.372   50.496    66.933  2.8770  63.096  2.9879  3.836712       4.147818 
1 1 1 -5  -15 27 f 130.650 2.8756  2296.87   100.629   2304.25   142.483   2289.53   142.140   130.860 4.0651  130.441 4.0683  0.4189453      5.751171 
1 1 1 -5  -15 28 o 61.930  2.0807  515.250   34.506    509.376   49.149    520.960   48.458    61.579  2.9798  62.280  2.9048  -0.7009125     4.161420 
1 1 1 -5  -15 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 30 o 61.970  2.1919  517.713   36.290    537.964   51.219    497.299   51.425    63.236  3.0240  60.704  3.1738  2.532578       4.383772 
1 1 1 -5  -15 31 o 129.448 2.8939  2267.40   100.315   2312.05   141.452   2222.23   142.285   130.747 4.0391  128.149 4.1453  2.598282       5.787752 
1 1 1 -5  -15 32 o 45.068  2.1306  274.887   25.563    267.263   35.621    282.984   36.708    44.422  3.0115  45.715  3.0148  -1.293030      4.261242 
1 1 1 -5  -15 33 o 49.533  2.1174  332.822   27.930    345.193   39.165    320.020   39.842    50.490  2.9084  48.575  3.0781  1.914574       4.234783 
1 1 1 -5  -15 34 f 42.361  2.1833  244.796   24.520    264.197   34.465    224.912   34.891    44.106  2.9341  40.616  3.2340  3.489838       4.366666 
1 1 1 -5  -15 35 o 86.523  2.4028  1017.92   55.673    1002.14   77.771    1034.50   79.731    85.841  3.3825  87.204  3.4135  -1.362350      4.805542 
1 1 1 -5  -15 36 o 60.688  2.2584  503.152   36.525    529.294   50.792    475.155   52.563    62.415  3.0382  58.960  3.3422  3.455795       4.516702 
1 1 1 -5  -15 37 o 42.059  2.3358  242.755   25.652    189.949   35.245    302.235   37.406    37.074  3.5944  47.043  2.9841  -9.968746      4.671640 
1 1 1 -5  -15 38 o 94.491  2.5834  1228.62   65.345    1232.01   90.940    1225.00   93.959    94.671  3.5863  94.310  3.7195  0.3613281      5.166874 
1 1 1 -5  -15 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 40 o 62.331  2.4279  541.804   40.154    592.179   55.772    487.589   57.859    65.556  3.1763  59.107  3.6728  6.448887       4.855755 
1 1 1 -5  -15 41 f 12.030  3.0452  15.926    12.080    27.250    20.679    10.060    14.884    13.987  4.6865  10.074  3.8898  3.913088       6.090499 
1 1 1 -5  -15 42 o 36.176  2.2962  181.300   21.539    197.950   34.758    170.921   27.443    37.364  3.5144  34.987  2.9561  2.377022       4.592336 
1 1 1 -5  -15 43 o 27.768  2.5578  106.653   18.072    133.063   30.120    91.796    22.591    30.270  3.7985  25.266  3.4266  5.004709       5.115678 
1 1 1 -5  -15 44 o 29.130  2.7601  127.195   19.752    118.389   33.013    132.106   24.652    27.814  4.5915  30.446  3.0646  -2.631603      5.520301 
1 1 1 -5  -15 45 o 13.161  2.9423  26.063    14.427    -12.8601  26.135    43.123    17.302    9.5157  4.3922  16.807  3.9161  -7.290817      5.884536 
1 1 1 -5  -15 46 o 18.905  3.3713  56.046    16.328    63.628    28.461    52.326    19.935    19.475  5.3100  18.335  4.1553  1.140154       6.742600 
1 1 1 -5  -15 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -15 48 o 19.311  3.5677  63.840    18.143    63.967    30.886    63.773    22.419    18.746  5.6690  19.877  4.3331  -1.131807      7.135316 
1 1 1 -5  -15 49 f 9.0342  2.9331  -4.6948   15.371    -9.7936   27.277    -2.3225   18.606    9.4939  4.4183  8.5745  3.8589  0.9194250      5.866205 
1 1 1 -5  -14 1  o 177.525 5.0019  4244.13   237.273   4641.82   339.392   3863.94   331.843   185.694 6.8236  169.357 7.3155  16.33725       10.00389 
1 1 1 -5  -14 2  o 221.089 4.2431  6570.82   251.268   6614.69   355.892   6527.22   354.804   221.827 5.9899  220.352 6.0115  1.474564       8.486252 
1 1 1 -5  -14 3  o 208.985 4.0407  5867.91   226.181   5896.17   320.256   5839.79   319.483   209.488 5.7075  208.482 5.7212  1.005585       8.081364 
1 1 1 -5  -14 4  o 210.010 4.0434  5925.21   227.402   6061.03   321.884   5789.89   321.306   212.419 5.6574  207.600 5.7783  4.819016       8.086722 
1 1 1 -5  -14 5  o 163.359 3.2828  3580.99   143.630   3633.07   203.132   3528.92   203.117   164.549 4.6089  162.168 4.6762  2.380157       6.565681 
1 1 1 -5  -14 6  o 19.323  2.1310  51.522    10.574    59.776    14.990    43.348    14.917    20.942  2.7379  17.703  3.2662  3.239511       4.261984 
1 1 1 -5  -14 7  o 87.613  2.0816  1028.63   48.841    1001.34   68.675    1056.55   69.474    86.437  2.9663  88.788  2.9213  -2.351913      4.163269 
1 1 1 -5  -14 8  o 215.126 4.1275  6216.12   237.824   6248.99   336.001   6183.12   336.668   215.698 5.8157  214.553 5.8584  1.144379       8.254903 
1 1 1 -5  -14 9  o 240.440 4.5365  7770.15   292.156   7766.04   412.812   7774.27   413.530   240.377 6.4117  240.503 6.4194  -0.1262817     9.072969 
1 1 1 -5  -14 10 f 286.997 5.4090  11089.00  415.788   11001.39  587.628   11176.85  588.400   285.857 7.6748  288.137 7.6240  -2.280518      10.81794 
1 1 1 -5  -14 11 o 63.011  1.8019  532.002   30.409    528.299   42.702    535.812   43.314    62.788  2.5391  63.233  2.5574  -0.4445801     3.603797 
1 1 1 -5  -14 12 o 151.239 3.0141  3068.86   122.099   3072.52   172.433   3065.17   172.915   151.331 4.2541  151.148 4.2711  0.1822205      6.028224 
1 1 1 -5  -14 13 o 134.588 2.7667  2430.01   99.727    2464.63   140.915   2395.28   141.154   135.550 3.8812  133.626 3.9438  1.924042       5.533317 
1 1 1 -5  -14 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -14 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -14 16 o 216.934 5.9647  6365.61   346.344   6608.44   488.504   6120.17   491.116   221.141 8.2473  212.727 8.6193  8.414124       11.92937 
1 1 1 -5  -14 17 o 238.236 4.5569  7646.35   290.774   7593.35   411.867   7699.02   410.568   237.406 6.4770  239.066 6.4118  -1.660416      9.113894 
1 1 1 -5  -14 18 o 148.017 3.0576  2942.72   121.210   2923.36   172.283   2961.70   170.564   147.531 4.3598  148.503 4.2881  -0.9712524     6.115222 
1 1 1 -5  -14 19 o 99.459  2.3023  1326.87   61.320    1336.99   87.705    1317.19   85.768    99.829  3.2800  99.089  3.2315  0.7395935      4.604506 
1 1 1 -5  -14 20 o 206.319 4.0421  5732.73   223.371   5740.76   317.010   5724.80   314.789   206.459 5.7326  206.178 5.7002  0.2806091      8.084207 
1 1 1 -5  -14 21 o 124.905 2.7166  2094.89   90.872    2098.87   129.616   2091.03   127.437   125.019 3.8708  124.790 3.8127  0.2286987      5.433142 
1 1 1 -5  -14 22 o 233.195 4.5154  7340.10   281.999   7223.89   399.621   7455.37   397.999   231.339 6.4493  235.052 6.3216  -3.713318      9.030846 
1 1 1 -5  -14 23 o 111.680 2.5442  1675.98   76.043    1612.84   108.217   1737.56   106.878   109.593 3.6866  113.766 3.5074  -4.172806      5.088480 
1 1 1 -5  -14 24 o 167.019 3.3922  3753.35   151.747   3789.20   215.141   3717.86   214.069   167.815 4.7863  166.224 4.8081  1.590698       6.784302 
1 1 1 -5  -14 25 o 358.228 6.7904  17526.46  651.513   17344.13  921.428   17708.76  921.330   356.328 9.6543  360.129 9.5514  -3.800934      13.58073 
1 1 1 -5  -14 26 o 172.011 3.5005  3985.77   161.223   4109.10   228.217   3862.90   227.790   174.682 4.8776  169.340 5.0221  5.341705       7.000927 
1 1 1 -5  -14 27 o 74.133  2.1744  737.815   43.174    737.323   61.290    738.300   60.828    74.108  3.0877  74.158  3.0624  -0.5059814E-01 4.348785 
1 1 1 -5  -14 28 o 107.160 2.5418  1543.86   72.955    1534.62   103.163   1553.10   103.185   106.838 3.6050  107.482 3.5842  -0.6438751     5.083597 
1 1 1 -5  -14 29 o 36.137  2.2012  177.101   21.045    164.189   29.841    189.877   29.685    34.799  3.2387  37.476  2.9820  -2.676525      4.402445 
1 1 1 -5  -14 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -14 31 o 96.060  2.4579  1243.57   63.232    1221.08   88.671    1266.83   90.195    95.176  3.4783  96.944  3.4736  -1.767342      4.915707 
1 1 1 -5  -14 32 o 19.890  2.9157  55.654    15.141    35.629    20.869    77.909    22.000    16.018  4.6134  23.762  3.5668  -7.744280      5.831402 
1 1 1 -5  -14 33 o 41.595  2.1670  234.557   23.845    204.579   33.069    267.028   34.417    38.788  3.2119  44.403  2.9099  -5.614998      4.334024 
1 1 1 -5  -14 34 o 56.985  2.1823  440.442   33.171    440.771   46.257    440.094   47.593    57.017  3.0398  56.952  3.1320  0.6538391E-01  4.364615 
1 1 1 -5  -14 35 o 30.734  2.4454  129.915   19.543    107.353   27.011    154.700   28.310    27.839  3.7152  33.629  3.1808  -5.790461      4.890770 
1 1 1 -5  -14 36 o 47.632  2.2182  309.863   28.099    315.877   38.926    303.320   40.602    48.145  3.0341  47.119  3.2368  1.026814       4.436456 
1 1 1 -5  -14 37 o 22.588  2.9793  72.041    17.294    67.886    23.240    77.197    25.890    21.870  4.1184  23.305  4.3062  -1.435158      5.958565 
1 1 1 -5  -14 38 o 72.652  2.3805  722.043   46.296    708.756   64.176    736.462   66.852    71.973  3.3290  73.331  3.4036  -1.358070      4.760955 
1 1 1 -5  -14 39 o 17.869  3.7894  45.074    18.867    41.928    23.287    51.083    32.186    17.006  4.8661  18.732  5.8103  -1.725977      7.578784 
1 1 1 -5  -14 40 o 14.846  3.0248  31.378    14.562    5.5617    22.305    50.558    19.225    10.981  4.5740  18.712  3.9594  -7.731527      6.049680 
1 1 1 -5  -14 41 o 20.316  2.9815  68.153    15.508    32.897    25.286    89.412    19.635    15.307  5.1821  25.324  2.9500  -10.01767      5.962907 
1 1 1 -5  -14 42 o 41.962  2.3268  252.343   25.081    221.704   39.155    273.664   32.662    39.459  3.7497  44.465  2.7561  -5.005806      4.653633 
1 1 1 -5  -14 43 o 10.797  2.9722  6.3970    12.189    25.656    21.598    -2.6030   14.765    13.579  4.7811  8.0156  3.5323  5.563611       5.944402 
1 1 1 -5  -14 44 o 11.839  2.8447  18.700    12.681    -9.3039   22.475    31.778    15.359    9.1462  4.1657  14.532  3.8750  -5.385600      5.689350 
1 1 1 -5  -14 45 o 34.895  2.6705  184.378   23.083    161.270   37.738    198.191   29.177    32.465  4.4576  37.326  2.9422  -4.861427      5.341048 
1 1 1 -5  -14 46 o 8.5382  2.7505  -5.0129   12.571    -12.3564  24.587    -2.4134   14.628    9.2004  4.2514  7.8759  3.4910  1.324512       5.501009 
1 1 1 -5  -14 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -14 48 o 10.418  3.1536  -5.5203   14.685    30.260    28.396    -18.5832  17.157    13.923  5.3737  6.9128  3.3021  7.010044       6.307136 
1 1 1 -5  -14 49 o 13.414  3.5772  24.467    16.031    47.685    30.805    15.843    18.774    15.872  5.6968  10.955  4.3278  4.917102       7.154313 
1 1 1 -5  -13 1  o 244.867 4.6514  8057.97   305.055   8169.26   432.063   7947.36   430.766   246.558 6.5424  243.177 6.6135  3.380722       9.302766 
1 1 1 -5  -13 2  o 481.877 8.9040  31461.26  1149.01   32194.35  1626.02   30730.10  1623.89   487.545 12.451  476.208 12.731  11.33725       17.80795 
1 1 1 -5  -13 3  o 276.092 5.1615  10246.11  381.633   10471.23  540.206   10021.81  539.215   279.129 7.2255  273.054 7.3727  6.075378       10.32295 
1 1 1 -5  -13 4  o 68.686  1.8868  632.115   34.711    624.847   49.010    639.430   49.168    68.290  2.6794  69.083  2.6572  -0.7925720     3.773562 
1 1 1 -5  -13 5  o 263.356 4.9674  9316.84   350.366   9454.94   495.512   9178.77   495.473   265.314 6.9728  261.399 7.0766  3.915100       9.934703 
1 1 1 -5  -13 6  o 148.303 2.9976  2948.74   119.052   2880.20   168.041   3017.82   168.691   146.571 4.2803  150.035 4.1977  -3.463989      5.995157 
1 1 1 -5  -13 7  o 374.616 6.9243  18900.79  694.719   19197.00  982.396   18604.48  982.565   377.568 9.7141  371.663 9.8701  5.905396       13.84857 
1 1 1 -5  -13 8  o 234.900 4.4408  7407.07   279.389   7481.54   394.825   7332.38   395.407   236.085 6.2438  233.714 6.3164  2.371567       8.881549 
1 1 1 -5  -13 9  o 153.156 3.0472  3144.91   125.002   3132.76   176.440   3157.16   177.121   152.859 4.3094  153.453 4.3093  -0.5940552     6.094341 
1 1 1 -5  -13 10 o 336.621 6.2655  15251.52  564.875   15467.95  798.737   15034.96  798.970   339.022 8.7960  334.219 8.9250  4.802734       12.53102 
1 1 1 -5  -13 11 o 131.306 2.7141  2311.36   95.444    2261.35   134.680   2361.82   135.277   129.878 3.8715  132.734 3.8050  -2.856079      5.428294 
1 1 1 -5  -13 12 o 365.153 6.7576  17976.01  660.900   18173.15  934.632   17778.85  934.675   367.169 9.5035  363.138 9.6095  4.031616       13.51516 
1 1 1 -5  -13 13 o 200.465 3.8669  5394.74   207.630   5372.33   293.602   5417.16   293.664   200.048 5.4794  200.882 5.4578  -0.8347168     7.733832 
1 1 1 -5  -13 14 o 141.030 2.9343  2667.71   110.840   2691.46   157.051   2644.13   156.455   141.656 4.1392  140.404 4.1603  1.252289       5.868630 
1 1 1 -5  -13 15 o 128.159 2.6858  2202.87   92.192    2198.30   130.909   2207.37   129.855   128.027 3.8175  128.292 3.7789  -0.2657013     5.371569 
1 1 1 -5  -13 16 o 113.530 2.4890  1728.60   75.679    1722.94   107.772   1734.10   106.296   113.345 3.5499  113.714 3.4899  -0.3690338     4.978060 
1 1 1 -5  -13 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -13 18 o 75.882  2.8827  774.827   58.209    688.673   81.469    864.679   83.199    71.494  4.2739  80.271  3.8696  -8.776642      5.765466 
1 1 1 -5  -13 19 o 171.904 3.4352  3971.44   158.165   3966.29   224.752   3976.50   222.620   171.790 4.8845  172.017 4.8317  -0.2273712     6.870494 
1 1 1 -5  -13 20 o 148.865 3.0542  2976.65   121.775   2981.15   173.255   2972.25   171.195   148.974 4.3420  148.757 4.2966  0.2177429      6.108472 
1 1 1 -5  -13 21 o 147.452 3.0546  2920.91   120.638   2939.68   171.501   2902.52   169.728   147.920 4.3286  146.984 4.3112  0.9360962      6.109281 
1 1 1 -5  -13 22 o 171.476 3.4500  3955.39   158.438   3896.43   224.615   4013.78   223.519   170.196 4.9272  172.755 4.8305  -2.558762      6.900088 
1 1 1 -5  -13 23 o 167.731 3.4325  3784.73   154.208   3805.86   218.406   3763.71   217.760   168.199 4.8479  167.263 4.8606  0.9360199      6.864922 
1 1 1 -5  -13 24 o 195.230 3.8509  5134.73   201.370   5116.07   284.887   5153.37   284.672   194.873 5.4580  195.587 5.4339  -0.7141113     7.701768 
1 1 1 -5  -13 25 o 99.060  2.4041  1317.40   63.776    1348.48   90.342    1286.52   90.046    100.227 3.3652  97.893  3.4342  2.334152       4.808168 
1 1 1 -5  -13 26 o 56.671  2.0644  431.699   31.258    446.992   44.138    416.312   44.274    57.721  2.8549  55.621  2.9827  2.100082       4.128775 
1 1 1 -5  -13 27 f 75.316  2.1630  761.635   43.620    782.079   61.535    740.987   61.842    76.335  3.0096  74.297  3.1076  2.037804       4.326066 
1 1 1 -5  -13 28 f 37.870  2.1466  193.810   21.588    196.368   30.410    191.211   30.650    38.127  3.0021  37.613  3.0691  0.5144234      4.293213 
1 1 1 -5  -13 29 o 55.605  2.1091  416.534   31.291    419.850   43.881    413.103   44.632    55.835  2.9445  55.376  3.0206  0.4597778      4.218289 
1 1 1 -5  -13 30 o 78.589  2.2504  830.217   47.361    816.926   66.192    844.158   67.793    77.946  3.1705  79.232  3.1945  -1.286095      4.500717 
1 1 1 -5  -13 31 o 112.529 3.9285  1723.55   117.917   1722.75   161.402   1724.46   172.691   112.632 5.3501  112.427 5.7540  0.2050095      7.856942 
1 1 1 -5  -13 32 o 86.276  2.3584  1004.60   54.444    1038.23   76.226    969.575   77.790    87.767  3.2425  84.784  3.4255  2.982635       4.716743 
1 1 1 -5  -13 33 o 83.962  2.3383  951.490   52.570    931.512   73.238    972.723   75.504    83.057  3.2921  84.868  3.3215  -1.811096      4.676574 
1 1 1 -5  -13 34 o 50.634  2.2037  350.504   29.487    389.900   40.961    308.126   42.483    53.672  2.8596  47.596  3.3539  6.076622       4.407444 
1 1 1 -5  -13 35 o 42.022  2.2064  240.339   24.618    237.977   33.816    243.002   35.909    41.819  3.0398  42.225  3.1987  -0.4061661     4.412707 
1 1 1 -5  -13 36 o 37.370  2.3152  191.950   22.824    200.556   31.278    182.148   33.380    38.325  3.0728  36.415  3.4640  1.909233       4.630471 
1 1 1 -5  -13 37 o 45.447  2.2843  282.488   27.605    278.072   38.213    287.308   39.922    45.087  3.1847  45.806  3.2755  -0.7188339     4.568503 
1 1 1 -5  -13 38 o 41.093  2.0890  227.733   22.591    252.495   35.218    210.420   29.448    42.935  3.0830  39.250  2.8199  3.685207       4.178091 
1 1 1 -5  -13 39 o 42.067  2.1064  235.618   23.225    291.754   36.734    198.232   29.978    46.135  2.9887  37.999  2.9689  8.135330       4.212725 
1 1 1 -5  -13 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -13 41 o 35.277  2.3439  174.500   21.286    170.183   33.929    177.302   27.335    34.736  3.7039  35.817  2.8735  -1.081688      4.687835 
1 1 1 -5  -13 42 o 20.322  2.9984  70.653    16.207    25.004    26.245    98.786    20.604    14.065  5.2248  26.579  2.9436  -12.51410      5.996890 
1 1 1 -5  -13 43 o 13.185  2.8599  25.346    13.370    -6.7754   23.210    41.297    16.356    9.6343  4.3252  16.735  3.7427  -7.100913      5.719707 
1 1 1 -5  -13 44 o 11.988  3.1751  14.862    13.537    29.491    22.840    6.9398    16.808    14.191  4.9214  9.7861  4.0130  4.404588       6.350145 
1 1 1 -5  -13 45 o 31.409  2.8233  151.819   21.753    127.734   35.156    166.760   27.690    28.655  4.7466  34.163  3.0584  -5.508417      5.646582 
1 1 1 -5  -13 46 o 9.1871  2.8913  -3.9652   12.794    7.5124    24.433    -8.3012   15.018    11.056  4.7061  7.3178  3.3601  3.738665       5.782512 
1 1 1 -5  -13 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -13 48 o 11.694  3.3470  15.094    14.955    22.146    28.103    12.309    17.664    12.921  5.2302  10.468  4.1781  2.453775       6.694088 
1 1 1 -5  -13 49 o 12.816  3.3419  11.761    15.553    57.002    29.093    -6.3413   18.403    17.464  5.5399  8.1687  3.7393  9.294783       6.683721 
1 1 1 -5  -12 1  o 32.683  1.7453  144.244   15.086    161.711   21.461    127.183   21.210    34.666  2.3248  30.701  2.6038  3.964972       3.490606 
1 1 1 -5  -12 2  o 141.401 2.9285  2679.92   110.914   2687.29   157.182   2672.62   156.533   141.595 4.1445  141.208 4.1386  0.3868256      5.857030 
1 1 1 -5  -12 3  o 31.824  1.7146  136.480   14.502    138.687   20.436    134.240   20.584    32.087  2.3950  31.560  2.4542  0.5263920      3.429219 
1 1 1 -5  -12 4  o 164.863 3.2826  3643.44   144.947   3606.67   204.904   3680.28   205.069   164.030 4.6638  165.697 4.6206  -1.666901      6.565113 
1 1 1 -5  -12 5  o 202.431 3.8761  5494.87   210.154   5423.46   296.954   5566.51   297.452   201.112 5.5127  203.750 5.4504  -2.637787      7.752223 
1 1 1 -5  -12 6  f 234.236 4.4560  7359.77   279.565   7349.40   395.069   7370.17   395.661   234.071 6.3014  234.401 6.3019  -0.3303833     8.911904 
1 1 1 -5  -12 7  f 360.622 6.6838  17481.91  645.448   17023.91  912.109   17941.30  913.497   355.875 9.5689  365.370 9.3344  -9.495605      13.36764 
1 1 1 -5  -12 8  o 256.910 4.8020  8856.11   330.441   8819.92   466.936   8892.42   467.694   256.384 6.7995  257.437 6.7827  -1.052826      9.604076 
1 1 1 -5  -12 9  o 69.635  1.8460  649.537   34.429    644.338   48.371    654.875   49.015    69.353  2.6039  69.918  2.6173  -0.5647049     3.691971 
1 1 1 -5  -12 10 o 31.781  1.7306  136.431   14.575    146.570   20.491    126.046   20.737    32.996  2.3336  30.567  2.5563  2.428272       3.461214 
1 1 1 -5  -12 11 o 343.457 6.3590  15859.03  584.982   15961.68  827.200   15756.33  827.378   344.573 8.9627  342.340 9.0231  2.232544       12.71799 
1 1 1 -5  -12 12 o 251.907 4.7568  8519.17   320.914   8676.81   453.952   8361.68   453.730   254.242 6.6661  249.572 6.7875  4.670090       9.513567 
1 1 1 -5  -12 13 o 216.017 4.0870  6261.96   236.433   6404.50   334.763   6120.10   333.971   218.474 5.7207  213.560 5.8385  4.914368       8.174016 
1 1 1 -5  -12 14 o 209.622 4.0355  5898.00   226.518   6074.88   321.068   5722.71   319.628   212.758 5.6341  206.487 5.7791  6.270248       8.071001 
1 1 1 -5  -12 15 o 225.824 4.3282  6849.17   261.795   6828.39   370.920   6869.79   369.552   225.480 6.1416  226.167 6.1004  -0.6867676     8.656438 
1 1 1 -5  -12 16 o 220.787 4.2535  6549.18   251.539   6547.79   356.630   6550.56   354.838   220.762 6.0312  220.812 5.9995  -0.5035400E-01 8.507056 
1 1 1 -5  -12 17 o 163.234 3.2885  3576.38   143.771   3573.76   204.308   3578.94   202.352   163.173 4.6746  163.295 4.6264  -0.1219788     6.576943 
1 1 1 -5  -12 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -12 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -12 20 o 102.780 2.3696  1416.94   65.229    1427.56   92.923    1406.63   91.587    103.159 3.3630  102.401 3.3392  0.7577286      4.739176 
1 1 1 -5  -12 21 o 92.327  2.2418  1143.43   55.437    1143.55   78.792    1143.32   78.012    92.331  3.1860  92.323  3.1547  0.7942200E-02  4.483639 
1 1 1 -5  -12 22 o 37.199  1.9087  186.369   18.880    192.845   27.156    180.310   26.266    37.827  2.6979  36.570  2.7005  1.256924       3.817306 
1 1 1 -5  -12 23 o 89.593  2.2487  1077.26   53.939    1116.80   76.368    1037.90   76.194    91.237  3.1250  87.949  3.2345  3.287689       4.497499 
1 1 1 -5  -12 24 o 236.072 4.5799  7524.36   289.591   7556.59   409.353   7492.06   409.734   236.583 6.4599  235.561 6.4940  1.022293       9.159789 
1 1 1 -5  -12 25 o 275.065 5.2865  10247.41  389.469   10137.70  550.279   10357.53  551.307   273.576 7.5096  276.554 7.4426  -2.977966      10.57291 
1 1 1 -5  -12 26 o 150.812 3.1752  3058.77   128.255   3010.68   180.666   3107.63   182.101   149.615 4.5083  152.010 4.4725  -2.394897      6.350450 
1 1 1 -5  -12 27 o 106.566 2.5494  1525.52   72.756    1535.59   102.194   1515.18   103.606   106.925 3.5682  106.206 3.6420  0.7192078      5.098714 
1 1 1 -5  -12 28 o 87.169  2.3221  1021.02   54.183    1046.54   75.977    994.614   77.293    88.283  3.2130  86.055  3.3533  2.228104       4.644157 
1 1 1 -5  -12 29 o 66.385  2.1454  591.897   38.137    596.220   53.456    587.416   54.426    66.634  2.9951  66.136  3.0724  0.4984131      4.290745 
1 1 1 -5  -12 30 o 108.672 2.5937  1589.38   75.485    1590.66   105.812   1588.05   107.717   108.722 3.6335  108.622 3.7023  0.9926605E-01  5.187478 
1 1 1 -5  -12 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -12 32 o 42.427  2.2232  244.276   25.017    254.612   34.668    233.047   36.135    43.391  3.0014  41.463  3.2805  1.928051       4.446359 
1 1 1 -5  -12 33 o 53.619  2.1357  388.286   30.516    379.650   42.047    397.897   44.359    52.995  2.9742  54.243  3.0658  -1.247120      4.271363 
1 1 1 -5  -12 34 o 111.299 2.7057  1681.83   80.596    1716.06   112.541   1645.80   115.476   112.496 3.7350  110.102 3.9157  2.394341       5.411315 
1 1 1 -5  -12 35 o 75.177  2.3020  764.953   46.326    736.227   64.240    796.077   66.869    73.709  3.2538  76.646  3.2572  -2.936508      4.604025 
1 1 1 -5  -12 36 o 89.354  2.3619  1088.45   56.319    1041.92   82.137    1129.73   77.371    87.479  3.5055  91.228  3.1664  -3.749329      4.723784 
1 1 1 -5  -12 37 o 36.130  2.0873  178.485   19.766    177.538   30.393    179.180   26.021    35.987  3.1860  36.272  2.6976  -0.2850266     4.174613 
1 1 1 -5  -12 38 o 47.016  2.0774  302.262   25.663    298.806   39.591    304.767   33.702    46.705  3.1837  47.326  2.6696  -0.6214142     4.154864 
1 1 1 -5  -12 39 o 46.136  2.0943  289.089   25.488    307.962   39.367    275.469   33.444    47.371  3.1201  44.901  2.7946  2.470406       4.188699 
1 1 1 -5  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -12 41 o 19.019  2.9750  56.732    14.850    33.741    23.390    72.257    19.220    15.382  4.9765  22.655  3.2614  -7.272779      5.949974 
1 1 1 -5  -12 42 o 12.581  3.1575  17.437    12.977    31.767    22.464    10.261    15.898    14.873  4.8810  10.288  4.0068  4.585045       6.314940 
1 1 1 -5  -12 43 o 38.942  2.3132  208.258   23.466    245.217   37.854    185.191   29.906    41.590  3.4287  36.294  3.1062  5.295887       4.626488 
1 1 1 -5  -12 44 o 24.935  2.8815  87.885    17.904    110.100   30.714    76.451    22.035    27.055  4.3888  22.815  3.7352  4.239983       5.763049 
1 1 1 -5  -12 45 o 19.474  3.3069  57.531    16.576    69.564    27.493    50.660    20.776    20.863  4.9876  18.085  4.3436  2.778551       6.613816 
1 1 1 -5  -12 46 o 10.745  2.8646  8.0881    14.293    -35.9180  25.424    28.423    17.283    7.8801  3.8270  13.610  4.2636  -5.729427      5.729248 
1 1 1 -5  -12 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -12 48 o 43.657  2.6632  288.308   29.486    287.028   48.790    289.044   37.009    42.811  4.3136  44.504  3.1246  -1.693001      5.326366 
1 1 1 -5  -12 49 o 14.377  3.6406  34.903    16.999    37.857    30.595    33.584    20.445    14.645  5.5966  14.109  4.6577  0.5359383      7.281206 
1 1 1 -5  -11 1  o 242.349 4.6290  7878.21   300.473   7943.39   425.432   7813.34   424.437   243.350 6.5269  241.348 6.5657  2.002533       9.257925 
1 1 1 -5  -11 2  o 209.309 4.0465  5874.16   226.840   5971.23   321.168   5777.52   320.433   211.037 5.6818  207.582 5.7631  3.454651       8.092988 
1 1 1 -5  -11 3  o 249.976 4.7153  8381.20   315.713   8440.97   446.663   8321.53   446.309   250.868 6.6473  249.084 6.6896  1.783630       9.430679 
1 1 1 -5  -11 4  o 123.270 2.6184  2036.34   86.430    2088.99   122.177   1983.61   122.283   124.866 3.6531  121.674 3.7521  3.191612       5.236731 
1 1 1 -5  -11 5  o 118.330 2.5119  1876.08   79.606    1894.66   112.331   1857.34   112.830   118.918 3.5267  117.741 3.5777  1.177574       5.023699 
1 1 1 -5  -11 6  o 107.177 2.3265  1538.93   66.783    1542.94   94.120    1534.87   94.776    107.317 3.2743  107.036 3.3058  0.2811356      4.652914 
1 1 1 -5  -11 7  o 267.872 5.0389  9625.60   361.538   9635.22   510.963   9615.96   511.623   268.007 7.1179  267.738 7.1343  0.2690125      10.07786 
1 1 1 -5  -11 8  o 208.022 3.9405  5801.45   219.548   5859.68   310.218   5743.02   310.760   209.069 5.5397  206.975 5.6056  2.094101       7.881048 
1 1 1 -5  -11 9  o 220.415 4.1822  6514.38   246.893   6595.10   349.006   6433.50   349.313   221.783 5.8751  219.046 5.9537  2.737503       8.364436 
1 1 1 -5  -11 10 o 174.652 3.3952  4088.43   158.827   4080.45   224.427   4096.44   224.803   174.482 4.8022  174.823 4.8008  -0.3414612     6.790323 
1 1 1 -5  -11 11 o 329.606 6.1581  14595.21  543.359   15172.70  768.850   14018.98  768.003   336.139 8.5395  323.072 8.8751  13.06717       12.31630 
1 1 1 -5  -11 12 o 373.797 6.9670  18784.25  697.535   18882.01  986.805   18686.62  986.122   374.772 9.8305  372.821 9.8751  1.950592       13.93398 
1 1 1 -5  -11 13 o 541.744 9.9004  39643.72  1436.40   40430.06  2032.57   38859.22  2030.19   547.154 13.869  536.333 14.132  10.82013       19.80083 
1 1 1 -5  -11 14 o 239.658 4.5793  7708.50   293.935   7631.47   416.359   7785.04   415.018   238.461 6.5187  240.855 6.4331  -2.393921      9.158547 
1 1 1 -5  -11 15 o 295.341 5.5477  11723.30  438.849   11826.70  621.644   11620.58  619.612   296.642 7.8238  294.040 7.8673  2.602112       11.09533 
1 1 1 -5  -11 16 o 256.730 4.8503  8856.54   333.488   8717.24   472.561   8994.74   470.690   254.710 6.9266  258.749 6.7915  -4.038818      9.700676 
1 1 1 -5  -11 17 o 212.061 4.1019  6039.03   232.986   6073.62   330.562   6004.88   328.431   212.664 5.8032  211.458 5.7987  1.206390       8.203798 
1 1 1 -5  -11 18 o 319.901 6.0192  13803.06  515.743   13905.15  730.292   13701.49  728.453   321.086 8.4915  318.715 8.5332  2.371002       12.03831 
1 1 1 -5  -11 19 o 477.591 18.162  31711.24  2323.29   0.0000    0.0000    31711.24  2323.29   ?       ?       477.591 18.162  ?              ?        
1 1 1 -5  -11 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -11 21 o 57.210  1.8906  438.788   28.969    445.815   41.073    431.832   40.864    57.666  2.6592  56.754  2.6882  0.9122276      3.781183 
1 1 1 -5  -11 22 o 159.321 3.2605  3411.17   139.137   3392.92   196.635   3429.46   196.904   158.893 4.6203  159.748 4.6018  -0.8554688     6.521006 
1 1 1 -5  -11 23 o 159.045 3.2801  3400.61   139.726   3427.10   197.327   3373.97   197.880   159.669 4.6140  158.420 4.6634  1.248917       6.560184 
1 1 1 -5  -11 24 o 241.081 4.6815  7849.24   302.227   8032.59   427.018   7665.21   427.811   243.928 6.5358  238.235 6.7044  5.693054       9.362946 
1 1 1 -5  -11 25 o 81.806  2.2141  898.649   48.480    928.294   68.110    868.207   69.021    83.179  3.0571  80.434  3.2037  2.744347       4.428265 
1 1 1 -5  -11 26 o 69.733  2.1387  651.817   39.923    621.289   55.559    684.405   57.404    68.046  3.0484  71.421  3.0007  -3.374870      4.277479 
1 1 1 -5  -11 27 o 171.359 3.5163  3954.38   161.367   4006.80   227.247   3901.06   229.180   172.515 4.9179  170.203 5.0271  2.311707       7.032639 
1 1 1 -5  -11 28 o 59.378  2.0899  473.514   33.175    461.535   46.298    486.155   47.559    58.568  2.9609  60.187  2.9501  -1.618652      4.179758 
1 1 1 -5  -11 29 f 80.775  2.2853  878.572   49.315    933.484   68.924    820.974   70.589    83.377  3.0862  78.172  3.3713  5.205856       4.570640 
1 1 1 -5  -11 30 o 104.471 2.5419  1467.95   71.109    1463.05   99.379    1473.10   101.792   104.297 3.5574  104.646 3.6317  -0.3483887     5.083706 
1 1 1 -5  -11 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -11 32 o 60.774  2.2148  502.070   35.653    555.670   49.326    443.432   51.592    64.275  2.8651  57.272  3.3781  7.003059       4.429516 
1 1 1 -5  -11 33 o 33.719  2.3132  154.859   20.548    155.916   27.928    153.610   30.338    33.871  3.1132  33.567  3.4222  0.3046265      4.626442 
1 1 1 -5  -11 34 o 53.620  1.9863  387.126   28.313    405.023   42.331    372.638   38.086    54.724  2.8983  52.516  2.7169  2.207882       3.972614 
1 1 1 -5  -11 35 o 52.211  2.0973  378.683   28.446    304.601   42.258    440.071   38.467    47.292  3.3578  57.131  2.5138  -9.838737      4.194564 
1 1 1 -5  -11 36 o 38.071  2.1010  198.864   20.910    189.123   32.095    206.049   27.563    37.186  3.2551  38.957  2.6573  -1.771015      4.202064 
1 1 1 -5  -11 37 o 44.688  2.3770  277.623   27.713    302.686   37.056    245.813   41.746    47.137  2.9498  42.238  3.7282  4.898705       4.754040 
1 1 1 -5  -11 38 o 9.3236  2.5915  4.7419    10.498    -13.3612  17.542    14.845    13.104    7.7976  3.5989  10.850  3.7297  -3.052026      5.182955 
1 1 1 -5  -11 39 o 45.984  2.1445  289.551   25.842    290.800   40.299    288.679   33.679    45.976  3.2943  45.993  2.7464  -0.1708984E-01 4.288961 
1 1 1 -5  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -11 41 o 26.147  2.5625  93.231    17.130    120.393   27.317    75.630    21.990    29.245  3.5608  23.050  3.6860  6.195049       5.125048 
1 1 1 -5  -11 42 o 31.502  2.6090  145.560   20.463    122.171   32.572    160.809   26.300    28.984  4.3282  34.019  2.9145  -5.034981      5.218031 
1 1 1 -5  -11 43 o 13.967  3.1377  20.283    13.680    51.162    24.180    5.7474    16.590    18.285  4.8554  9.6496  3.9755  8.635591       6.275310 
1 1 1 -5  -11 44 o 16.989  2.9332  32.627    14.425    84.698    25.660    8.5696    17.442    23.805  4.1768  10.173  4.1194  13.63198       5.866467 
1 1 1 -5  -11 45 o 15.574  3.3609  33.164    14.547    54.504    26.477    23.936    17.411    18.360  5.1663  12.789  4.3002  5.570667       6.721771 
1 1 1 -5  -11 46 o 7.5256  2.5076  -21.3225  11.663    0.5979    21.357    -30.6380  13.923    9.7743  4.2793  5.2769  2.6151  4.497476       5.015103 
1 1 1 -5  -11 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -11 48 o 22.819  3.5799  85.833    20.203    91.661    35.728    83.093    24.496    22.587  5.8566  23.051  4.1185  -0.4643097     7.159788 
1 1 1 -5  -11 49 o 13.411  3.3276  30.629    16.426    3.2715    30.731    41.571    19.435    11.067  4.9721  15.755  4.4238  -4.687686      6.655169 
1 1 1 -5  -10 1  o 261.042 4.9600  9139.81   346.773   9282.69   490.951   8997.56   489.874   263.081 6.9672  259.004 7.0614  4.077087       9.919933 
1 1 1 -5  -10 2  o 407.713 7.5036  22339.77  819.187   22990.92  1159.29   21690.38  1157.72   413.667 10.463  401.759 10.758  11.90723       15.00721 
1 1 1 -5  -10 3  o 448.158 8.2442  27003.89  989.619   26966.81  1399.50   27040.97  1399.57   447.849 11.667  448.467 11.651  -0.6177673     16.48839 
1 1 1 -5  -10 4  o 193.337 3.7195  5010.09   192.600   4934.73   272.142   5085.71   272.614   191.879 5.2952  194.794 5.2250  -2.915161      7.439003 
1 1 1 -5  -10 5  o 244.176 4.6076  7994.58   301.336   7911.61   425.783   8077.83   426.524   242.905 6.5443  245.446 6.4878  -2.541061      9.215167 
1 1 1 -5  -10 6  o 226.578 4.2738  6882.71   259.366   6929.41   366.519   6835.86   367.080   227.349 6.0189  225.807 6.0692  1.541916       8.547642 
1 1 1 -5  -10 7  o 364.888 6.7351  17878.02  658.245   17989.33  930.663   17766.60  931.135   366.028 9.4927  363.749 9.5570  2.279358       13.47024 
1 1 1 -5  -10 8  o 549.014 10.043  40606.61  1476.70   39942.11  2087.58   41272.13  2089.16   544.493 14.314  553.535 14.091  -9.042053      20.08592 
1 1 1 -5  -10 9  o 673.326 12.417  61276.79  2239.12   60226.92  3165.62   62327.95  3167.57   667.503 17.706  679.149 17.413  -11.64594      24.83359 
1 1 1 -5  -10 10 f 384.896 7.1140  19901.54  733.403   19800.44  1037.06   20002.68  1037.31   383.915 10.085  385.877 10.036  -1.961395      14.22800 
1 1 1 -5  -10 11 o 516.326 9.5237  35908.48  1317.09   35726.37  1862.75   36090.54  1862.54   515.009 13.504  517.643 13.433  -2.633606      19.04743 
1 1 1 -5  -10 12 o 268.579 5.0206  9676.81   361.168   9757.29   511.337   9596.68   510.203   269.694 7.0786  267.463 7.1218  2.231598       10.04125 
1 1 1 -5  -10 13 o 448.188 8.2796  27035.50  993.874   26697.43  1406.05   27373.09  1405.06   445.373 11.787  451.003 11.631  -5.629913      16.55922 
1 1 1 -5  -10 14 o 236.673 4.4935  7513.65   284.853   7517.42   403.795   7509.92   401.898   236.732 6.3682  236.615 6.3414  0.1165619      8.987048 
1 1 1 -5  -10 15 o 303.294 5.6738  12355.27  460.915   12391.74  652.922   12319.04  650.749   303.740 8.0255  302.848 8.0223  0.8919678      11.34751 
1 1 1 -5  -10 16 o 204.007 3.9588  5584.25   216.279   5483.24   306.717   5684.15   305.020   202.167 5.6642  205.846 5.5322  -3.678833      7.917600 
1 1 1 -5  -10 17 o 224.663 4.3216  6777.17   260.021   6666.36   368.313   6887.29   367.141   222.827 6.1711  226.500 6.0517  -3.673126      8.643207 
1 1 1 -5  -10 18 o 311.426 5.8654  13061.57  489.251   13157.77  692.346   12965.62  691.465   312.577 8.2695  310.275 8.3202  2.301300       11.73072 
1 1 1 -5  -10 19 o 177.169 3.5329  4214.27   167.645   4255.51   237.147   4173.08   237.026   178.037 4.9730  176.300 5.0194  1.736832       7.065790 
1 1 1 -5  -10 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -10 21 o 127.687 3.9635  2197.10   134.898   1932.68   189.371   2469.51   192.211   119.843 5.8995  135.531 5.2948  -15.68828      7.927085 
1 1 1 -5  -10 22 o 120.980 2.6699  1964.37   86.498    1909.39   121.835   2020.25   122.825   119.270 3.8138  122.689 3.7376  -3.418968      5.339874 
1 1 1 -5  -10 23 o 85.179  2.2008  974.296   50.154    1018.80   70.530    928.771   71.334    87.153  3.0214  83.205  3.2008  3.947655       4.401563 
1 1 1 -5  -10 24 o 246.596 4.7630  8211.21   314.594   8214.36   444.058   8208.05   445.754   246.648 6.7216  246.544 6.7501  0.1032410      9.525967 
1 1 1 -5  -10 25 o 17.096  2.8827  41.260    13.142    49.815    18.207    31.956    18.988    18.934  3.7228  15.259  4.4022  3.675200       5.765336 
1 1 1 -5  -10 26 o 203.420 4.0443  5578.19   220.336   5471.61   310.386   5686.44   312.832   201.454 5.7523  205.386 5.6866  -3.932251      8.088612 
1 1 1 -5  -10 27 o 106.191 2.5530  1515.62   72.553    1558.57   101.543   1470.82   103.701   107.737 3.5188  104.645 3.6998  3.091301       5.105905 
1 1 1 -5  -10 28 o 32.178  2.2991  140.112   19.516    135.052   26.731    145.888   28.558    31.556  3.2072  32.800  3.2951  -1.243671      4.598241 
1 1 1 -5  -10 29 o 54.405  2.0882  398.718   30.264    402.684   41.737    394.320   43.950    54.701  2.8586  54.110  3.0448  0.5905952      4.176372 
1 1 1 -5  -10 30 o 193.354 3.8853  5054.50   201.207   4973.93   282.981   5136.89   286.144   191.791 5.5086  194.917 5.4808  -3.125839      7.770700 
1 1 1 -5  -10 31 o 89.937  2.8955  1071.11   66.889    1158.17   113.704   1025.04   82.715    92.606  4.5841  87.268  3.5387  5.337578       5.791022 
1 1 1 -5  -10 32 o 135.961 2.9868  2499.07   108.685   2459.52   156.051   2536.32   151.460   134.888 4.3192  137.033 4.1265  -2.145432      5.973590 
1 1 1 -5  -10 33 o 66.910  2.1761  613.303   38.296    524.718   56.467    688.752   52.113    62.275  3.3981  71.546  2.7194  -9.270573      4.352259 
1 1 1 -5  -10 34 o 45.069  1.9843  269.106   23.340    358.723   35.581    201.420   30.922    51.616  2.5736  38.523  3.0211  13.09322       3.968675 
1 1 1 -5  -10 35 o 41.809  2.1482  245.353   23.025    196.391   35.046    282.539   30.542    37.902  3.4914  45.716  2.5038  -7.814812      4.296379 
1 1 1 -5  -10 36 o 32.473  2.1974  147.661   18.272    126.730   28.206    162.796   23.985    30.325  3.5391  34.620  2.6056  -4.295265      4.394825 
1 1 1 -5  -10 37 o 90.309  2.3340  1102.39   56.219    1253.04   83.240    976.037   76.232    95.970  3.2382  84.649  3.3622  11.32109       4.668067 
1 1 1 -5  -10 38 o 53.328  2.0791  385.533   29.383    405.867   44.641    369.989   39.031    54.523  3.0693  52.133  2.8055  2.390404       4.158268 
1 1 1 -5  -10 39 o 42.778  2.1956  255.249   24.385    227.978   37.488    275.252   32.105    40.624  3.4787  44.932  2.6798  -4.307472      4.391249 
1 1 1 -5  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -10 41 f 32.145  2.4739  146.200   20.314    138.470   32.278    151.270   26.140    31.235  3.9462  33.054  2.9847  -1.818558      4.947790 
1 1 1 -5  -10 42 o 35.275  2.3665  172.518   21.584    184.850   34.848    164.843   27.493    36.142  3.6498  34.409  3.0134  1.732265       4.733065 
1 1 1 -5  -10 43 o 17.372  3.2228  44.107    14.614    51.301    24.999    40.372    18.013    18.282  4.9732  16.462  4.1005  1.820379       6.445669 
1 1 1 -5  -10 44 o 9.9871  2.8916  7.2731    12.419    -7.5797   22.771    13.561    14.816    9.4006  4.2463  10.574  3.9261  -1.173098      5.783145 
1 1 1 -5  -10 45 o 22.975  3.2251  85.296    18.133    69.702    30.834    93.540    22.419    20.581  5.4914  25.369  3.3837  -4.787663      6.450195 
1 1 1 -5  -10 46 o 25.432  3.1761  100.793   19.440    98.481    34.085    101.907   23.667    24.496  5.3451  26.368  3.4323  -1.872013      6.352268 
1 1 1 -5  -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -10 48 o 23.187  3.4645  79.364    19.714    122.415   36.108    61.080    23.531    27.041  5.1737  19.334  4.6091  7.707745       6.929049 
1 1 1 -5  -10 49 o 15.352  3.6926  42.101    17.616    37.644    33.660    43.782    20.673    14.647  5.7922  16.057  4.5815  -1.410610      7.385105 
1 1 1 -5  -9  1  o 284.641 5.3247  10870.54  405.755   11282.91  574.564   10460.29  573.088   290.035 7.3960  279.247 7.6620  10.78864       10.64933 
1 1 1 -5  -9  2  o 179.982 3.5299  4341.75   170.141   4255.01   240.684   4428.40   240.546   178.184 5.0430  181.781 4.9404  -3.596741      7.059719 
1 1 1 -5  -9  3  o 416.078 7.6416  23260.13  851.613   23120.25  1204.19   23400.09  1204.53   414.823 10.838  417.333 10.776  -2.510620      15.28319 
1 1 1 -5  -9  4  o 276.017 5.1726  10218.70  382.381   10047.41  540.362   10390.51  541.176   273.697 7.3710  278.338 7.2590  -4.640289      10.34527 
1 1 1 -5  -9  5  o 539.724 9.9060  39226.31  1432.01   39614.61  2025.17   38838.02  2025.16   542.410 13.939  537.038 14.079  5.371887       19.81210 
1 1 1 -5  -9  6  f 403.424 7.4364  21864.23  803.503   21564.71  1135.79   22164.31  1136.86   400.650 10.584  406.197 10.449  -5.547729      14.87289 
1 1 1 -5  -9  7  o 555.651 10.190  41595.95  1516.14   40421.85  2142.96   42772.67  2145.34   547.756 14.606  563.547 14.213  -15.79169      20.38000 
1 1 1 -5  -9  8  o 281.493 5.2080  10628.08  392.670   10615.66  555.122   10640.53  555.516   281.328 7.3669  281.658 7.3635  -0.3295288     10.41599 
1 1 1 -5  -9  9  o 288.440 5.3765  11160.41  415.381   11169.80  587.385   11151.02  587.489   288.562 7.5997  288.319 7.6074  0.2431641      10.75305 
1 1 1 -5  -9  10 o 230.409 4.3802  7118.98   270.227   7348.40   382.565   6890.53   381.753   234.118 6.1007  226.700 6.2870  7.418640       8.760411 
1 1 1 -5  -9  11 f 242.903 4.5698  7912.07   297.253   8114.39   421.032   7711.01   419.730   246.002 6.3898  239.803 6.5347  6.199142       9.139580 
1 1 1 -5  -9  12 o 581.265 10.720  45565.05  1668.89   46151.10  2361.38   44980.19  2358.97   585.023 15.070  577.506 15.250  7.516541       21.43976 
1 1 1 -5  -9  13 f 228.979 4.3738  7030.29   268.249   7062.97   380.366   6997.96   378.365   229.509 6.1875  228.450 6.1834  1.058578       8.747567 
1 1 1 -5  -9  14 o 112.378 2.4727  1691.90   74.420    1699.35   106.241   1684.72   104.279   112.621 3.5220  112.136 3.4719  0.4851151      4.945500 
1 1 1 -5  -9  15 o 195.133 3.8050  5105.25   198.866   5084.65   282.059   5125.61   280.425   194.741 5.4075  195.526 5.3546  -0.7850342     7.609987 
1 1 1 -5  -9  16 o 78.292  2.0341  821.159   42.652    824.378   60.790    818.037   59.860    78.443  2.8933  78.141  2.8600  0.3019714      4.068257 
1 1 1 -5  -9  17 o 312.884 5.8825  13163.12  492.800   13592.05  697.417   12735.40  696.434   317.994 8.1881  307.774 8.4481  10.22018       11.76502 
1 1 1 -5  -9  18 f 314.140 5.9002  13279.41  496.426   13121.06  701.841   13437.96  702.265   312.258 8.3914  316.023 8.2965  -3.765320      11.80033 
1 1 1 -5  -9  19 o 119.424 2.6340  1912.29   84.249    1882.04   118.878   1942.82   119.416   118.474 3.7462  120.373 3.7038  -1.899376      5.268001 
1 1 1 -5  -9  20 o 231.380 4.4691  7200.56   276.944   7075.53   391.086   7326.33   392.232   229.357 6.3660  233.402 6.2741  -4.044083      8.938162 
1 1 1 -5  -9  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -9  22 o 117.102 2.6263  1840.06   82.371    1828.66   115.757   1851.74   117.237   116.735 3.7022  117.468 3.7261  -0.7329559     5.252614 
1 1 1 -5  -9  23 o 97.081  2.3534  1264.69   61.180    1275.68   85.803    1253.32   87.260    97.513  3.2851  96.650  3.3707  0.8629532      4.706777 
1 1 1 -5  -9  24 o 203.103 4.0175  5556.38   218.542   5599.04   308.147   5513.22   309.992   203.895 5.6424  202.311 5.7206  1.584457       8.035046 
1 1 1 -5  -9  25 o 209.089 4.1211  5893.74   230.753   5998.74   325.400   5787.53   327.277   210.978 5.7583  207.199 5.8971  3.779099       8.242166 
1 1 1 -5  -9  26 o 88.566  2.3030  1052.39   54.619    1038.76   76.243    1066.76   78.283    87.978  3.2355  89.153  3.2783  -1.175262      4.606008 
1 1 1 -5  -9  27 o 172.358 3.5257  3998.60   162.738   3896.63   228.773   4103.05   231.544   170.128 5.0204  174.589 4.9514  -4.460526      7.051330 
1 1 1 -5  -9  28 o 91.430  2.3764  1121.89   58.180    1102.16   81.116    1142.80   83.493    90.604  3.3425  92.257  3.3788  -1.652832      4.752769 
1 1 1 -5  -9  29 o 51.914  2.1626  364.626   29.801    392.894   41.454    334.390   42.872    54.030  2.8747  49.798  3.2317  4.232376       4.325254 
1 1 1 -5  -9  30 o 85.841  2.2542  991.457   51.707    963.901   75.130    1016.26   71.272    84.695  3.3118  86.986  3.0590  -2.291039      4.508365 
1 1 1 -5  -9  31 o 63.552  2.0328  540.095   34.517    580.366   51.034    506.140   46.862    65.723  2.8990  61.380  2.8504  4.343258       4.065589 
1 1 1 -5  -9  32 o 100.313 3.3903  1352.31   90.191    1613.17   134.001   1136.26   121.948   109.198 4.5815  91.427  4.9987  17.77058       6.780641 
1 1 1 -5  -9  33 o 107.954 2.5830  1576.65   74.505    1520.89   108.034   1627.22   102.887   106.094 3.8017  109.815 3.4979  -3.720543      5.166095 
1 1 1 -5  -9  34 o 66.767  2.0922  599.965   37.249    613.252   55.620    589.159   50.158    67.416  3.0802  66.117  2.8323  1.299484       4.184412 
1 1 1 -5  -9  35 o 70.441  2.1360  669.688   40.155    681.860   59.596    659.567   54.343    71.002  3.1337  69.880  2.9034  1.121605       4.271951 
1 1 1 -5  -9  36 o 45.482  2.0032  275.798   24.058    324.987   37.065    239.987   31.626    48.934  2.8402  42.029  2.8257  6.904606       4.006400 
1 1 1 -5  -9  37 o 14.562  2.5637  32.428    11.812    0.5320    19.173    51.941    14.996    9.7759  4.1651  19.347  2.9903  -9.571563      5.127378 
1 1 1 -5  -9  38 o 22.821  2.5723  72.341    14.739    75.483    24.170    70.481    18.597    23.105  4.0534  22.538  3.1681  0.5666332      5.144578 
1 1 1 -5  -9  39 o 69.158  2.2661  657.377   41.446    633.311   62.676    676.078   55.250    67.871  3.4592  70.444  2.9282  -2.573540      4.532128 
1 1 1 -5  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -9  41 o 56.474  2.2114  433.847   32.927    484.094   51.559    399.240   42.788    59.121  3.2686  53.827  2.9794  5.294083       4.422754 
1 1 1 -5  -9  42 o 27.662  2.7677  112.377   18.808    100.492   31.052    119.264   23.637    26.113  4.6080  29.210  3.0669  -3.096630      5.535315 
1 1 1 -5  -9  43 o 24.910  2.8431  85.269    17.584    110.970   30.604    72.603    21.484    27.446  4.3045  22.374  3.7153  5.072775       5.686120 
1 1 1 -5  -9  44 o 13.953  3.2574  29.228    14.095    21.249    24.557    33.148    17.212    13.084  5.0107  14.822  4.1636  -1.737907      6.514759 
1 1 1 -5  -9  45 o 7.2600  2.4593  -21.7913  11.386    -6.7926   21.953    -27.3113  13.318    9.2211  4.1669  5.2990  2.6135  3.922164       4.918668 
1 1 1 -5  -9  46 o 23.750  3.2664  87.586    18.987    90.754    32.993    86.018    23.217    23.479  5.3637  24.020  3.7295  -0.5414009     6.532872 
1 1 1 -5  -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -9  48 o 21.685  3.6104  83.583    19.874    67.499    35.690    90.812    23.928    18.996  6.1476  24.375  3.7879  -5.379383      7.220876 
1 1 1 -5  -9  49 o 11.672  3.3298  4.7186    14.858    45.615    30.187    -8.3559   17.068    15.671  5.6378  7.6737  3.5446  7.997467       6.659521 
1 1 1 -5  -8  1  o 388.870 7.2135  20317.11  750.968   21082.19  1062.97   19554.73  1061.09   396.201 10.016  381.539 10.383  14.66275       14.42699 
1 1 1 -5  -8  2  o 428.056 7.8794  24626.00  903.410   24564.21  1277.65   24687.78  1277.58   427.518 11.158  428.595 11.129  -1.077881      15.75889 
1 1 1 -5  -8  3  o 403.046 7.4407  21826.86  803.119   22304.00  1135.95   21350.01  1135.61   407.464 10.408  398.628 10.636  8.836548       14.88138 
1 1 1 -5  -8  4  o 590.076 10.838  46949.88  1712.78   46055.04  2421.23   47846.20  2423.24   584.411 15.468  595.741 15.186  -11.32953      21.67656 
1 1 1 -5  -8  5  o 170.426 3.3361  3893.27   152.237   4000.87   215.085   3785.25   215.507   172.787 4.6474  168.064 4.7874  4.723785       6.672139 
1 1 1 -5  -8  6  o 95.342  2.1343  1217.68   54.504    1213.59   76.813    1221.84   77.351    95.181  3.0130  95.504  3.0238  -0.3228760     4.268698 
1 1 1 -5  -8  7  o 294.254 5.4341  11616.75  428.231   11839.76  605.583   11393.70  605.638   297.084 7.6104  291.424 7.7589  5.659576       10.86819 
1 1 1 -5  -8  8  f 200.206 3.8346  5372.92   205.606   5274.19   290.632   5471.84   290.909   198.363 5.4701  202.049 5.3754  -3.685776      7.669210 
1 1 1 -5  -8  9  o 427.552 7.8689  24572.32  900.871   25275.93  1274.77   23870.34  1273.28   433.689 10.974  421.416 11.280  12.27209       15.73770 
1 1 1 -5  -8  10 o 164.573 3.2155  3629.31   141.732   3688.57   200.969   3570.66   199.914   165.910 4.5224  163.236 4.5723  2.674438       6.431027 
1 1 1 -5  -8  11 o 594.924 10.938  47723.98  1742.92   47317.60  2465.34   48130.04  2464.37   592.374 15.538  597.474 15.399  -5.100037      21.87604 
1 1 1 -5  -8  12 o 332.697 6.1561  14856.24  548.556   15065.01  776.956   14648.74  774.600   335.031 8.6581  330.362 8.7538  4.669037       12.31228 
1 1 1 -5  -8  13 o 301.635 5.6679  12213.99  457.637   11727.49  647.763   12698.78  646.632   295.624 8.1806  307.647 7.8472  -12.02301      11.33587 
1 1 1 -5  -8  14 o 506.460 9.3578  34544.09  1269.30   33974.28  1795.30   35113.59  1794.82   502.260 13.345  510.659 13.122  -8.399353      18.71569 
1 1 1 -5  -8  15 o 327.470 6.1215  14401.35  536.774   14002.39  759.083   14800.37  759.144   322.921 8.7761  332.019 8.5363  -9.097565      12.24295 
1 1 1 -5  -8  16 o 250.380 4.7688  8411.73   319.745   8203.59   452.000   8620.22   452.375   247.275 6.8245  253.486 6.6628  -6.211914      9.537610 
1 1 1 -5  -8  17 o 420.888 7.7912  23858.71  878.294   23596.26  1241.63   24121.54  1242.56   418.559 11.075  423.217 10.961  -4.657654      15.58232 
1 1 1 -5  -8  18 o 258.800 4.9218  8995.64   341.165   9050.45   482.103   8940.66   482.858   259.593 6.9336  258.008 6.9871  1.585114       9.843505 
1 1 1 -5  -8  19 o 223.641 4.3246  6717.50   259.034   6791.40   365.794   6643.17   366.867   224.879 6.0729  222.402 6.1586  2.476501       8.649206 
1 1 1 -5  -8  20 f 205.264 4.0279  5660.12   221.433   5559.33   312.317   5761.98   313.997   203.422 5.7320  207.105 5.6604  -3.682480      8.055824 
1 1 1 -5  -8  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -8  22 o 239.868 4.6302  7751.71   297.434   7569.80   419.556   7935.50   421.724   237.026 6.6085  242.711 6.4871  -5.684509      9.260399 
1 1 1 -5  -8  23 o 161.012 3.3156  3483.82   142.988   3466.48   201.320   3501.48   203.123   160.609 4.6798  161.415 4.6981  -0.8066254     6.631217 
1 1 1 -5  -8  24 o 161.414 3.3255  3502.33   143.760   3431.26   202.338   3574.77   204.290   159.757 4.7285  163.071 4.6772  -3.313370      6.650941 
1 1 1 -5  -8  25 o 76.965  2.1752  796.630   44.727    849.653   62.675    741.605   63.847    79.587  2.9401  74.343  3.2064  5.243721       4.350306 
1 1 1 -5  -8  26 o 77.346  2.1884  802.041   45.291    753.036   63.148    853.954   64.995    74.912  3.1471  79.779  3.0416  -4.867027      4.376727 
1 1 1 -5  -8  27 f 157.733 3.3207  3346.62   140.272   3263.39   197.173   3431.92   199.598   155.742 4.7266  159.723 4.6655  -3.980270      6.641394 
1 1 1 -5  -8  28 o 165.659 3.3545  3694.83   148.383   4084.03   212.228   3322.64   207.542   174.230 4.5477  157.089 4.9325  17.14125       6.709063 
1 1 1 -5  -8  29 o 150.770 3.1345  3057.51   126.526   3189.39   181.149   2931.89   176.801   153.949 4.3931  147.591 4.4724  6.358414       6.269069 
1 1 1 -5  -8  30 o 135.776 2.9585  2483.36   107.504   2435.96   154.312   2528.07   149.854   134.499 4.2834  137.053 4.0822  -2.553833      5.917099 
1 1 1 -5  -8  31 o 20.174  2.6107  53.939    13.363    77.308    21.268    38.696    17.177    23.729  3.4471  16.619  3.9220  7.109573       5.221491 
1 1 1 -5  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -8  33 o 111.394 2.5779  1672.11   76.838    1746.51   111.779   1605.46   105.799   113.733 3.6693  109.055 3.6220  4.678093       5.155825 
1 1 1 -5  -8  34 o 39.861  2.0448  212.579   21.458    233.587   33.351    197.739   28.031    41.508  3.0206  38.214  2.7571  3.293488       4.089647 
1 1 1 -5  -8  35 f 52.302  2.0487  367.527   28.371    394.168   43.406    347.655   37.488    53.923  3.0174  50.681  2.7721  3.242470       4.097457 
1 1 1 -5  -8  36 o 39.437  2.1480  214.601   22.030    196.691   33.949    227.628   28.953    37.910  3.3788  40.964  2.6531  -3.053905      4.295926 
1 1 1 -5  -8  37 o 31.944  2.2548  142.790   18.372    127.701   28.994    152.914   23.748    30.378  3.6356  33.510  2.6680  -3.132202      4.509501 
1 1 1 -5  -8  38 o 29.542  2.3494  118.899   17.920    128.604   28.666    112.674   22.958    30.459  3.5821  28.626  3.0409  1.833340       4.698787 
1 1 1 -5  -8  39 o 41.651  2.1832  237.396   23.707    241.174   37.483    234.877   30.606    41.832  3.3740  41.470  2.7714  0.3620644      4.366301 
1 1 1 -5  -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -8  41 o 19.335  3.0622  50.787    14.908    70.280    25.817    41.037    18.259    21.895  4.5508  16.775  4.0987  5.119825       6.124447 
1 1 1 -5  -8  42 o 44.962  2.3198  281.994   27.080    285.080   43.249    280.004   34.731    44.960  3.6221  44.963  2.8993  -0.2502441E-02 4.639535 
1 1 1 -5  -8  43 o 13.412  3.1288  26.167    14.170    4.9171    24.774    36.499    17.275    11.168  4.7458  15.656  4.0787  -4.488544      6.257668 
1 1 1 -5  -8  44 o 11.349  3.0861  8.0153    12.883    30.449    23.497    -1.6266   15.404    14.417  4.9921  8.2810  3.6297  6.136139       6.172186 
1 1 1 -5  -8  45 o 6.2011  2.1775  -36.0132  10.521    -12.0908  19.741    -45.5044  12.434    8.2357  3.8070  4.1665  2.1149  4.069245       4.354991 
1 1 1 -5  -8  46 o 9.3436  2.9050  -0.2899   12.988    3.1125    23.587    -1.7703   15.559    10.469  4.5415  8.2183  3.6236  2.250655       5.809916 
1 1 1 -5  -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -8  48 o 16.055  3.7301  38.386    16.999    62.818    32.734    29.364    19.892    18.532  5.8760  13.579  4.5962  4.952984       7.460112 
1 1 1 -5  -8  49 o 25.874  3.6780  116.566   22.571    119.922   41.715    115.176   26.839    24.626  6.2991  27.122  3.7988  -2.496138      7.355907 
1 1 1 -5  -7  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  8  o 362.387 6.7030  17635.35  650.582   17398.14  920.055   17872.57  920.069   359.943 9.5431  364.831 9.4154  -4.887787      13.40603 
1 1 1 -5  -7  9  o 565.208 10.373  43054.61  1570.35   43075.16  2221.33   43034.08  2220.28   565.343 14.669  565.073 14.669  0.2695923      20.74571 
1 1 1 -5  -7  10 o 472.531 8.6920  30035.06  1100.10   30219.95  1556.70   29850.61  1554.85   473.989 12.262  471.073 12.323  2.915649       17.38392 
1 1 1 -5  -7  11 o 161.684 3.2108  3503.40   139.036   3475.13   197.489   3531.18   195.774   161.037 4.5786  162.332 4.5026  -1.295059      6.421565 
1 1 1 -5  -7  12 o 483.881 8.9209  31500.71  1156.17   31196.41  1635.62   31804.61  1634.51   481.534 12.681  486.228 12.550  -4.694153      17.84182 
1 1 1 -5  -7  13 o 482.545 8.9046  31328.88  1150.83   30916.14  1627.58   31741.57  1627.46   479.351 12.677  485.738 12.509  -6.386475      17.80916 
1 1 1 -5  -7  14 o 401.879 7.4349  21704.64  800.115   21144.95  1131.19   22265.00  1131.88   396.676 10.647  407.081 10.381  -10.40448      14.86978 
1 1 1 -5  -7  15 o 108.699 2.4599  1583.24   71.607    1616.01   101.150   1550.31   101.385   109.827 3.4385  107.571 3.5188  2.256508       4.919842 
1 1 1 -5  -7  16 o 289.791 5.4713  11270.78  424.682   11266.70  600.216   11274.86  600.967   289.738 7.7341  289.843 7.7410  -0.1043701     10.94261 
1 1 1 -5  -7  17 o 253.614 4.8307  8630.95   328.118   8474.49   463.332   8788.36   464.730   251.305 6.8834  255.923 6.7796  -4.618942      9.661445 
1 1 1 -5  -7  18 o 96.127  2.3162  1239.36   59.578    1292.47   83.803    1185.08   84.716    98.212  3.1857  94.041  3.3632  4.171295       4.632492 
1 1 1 -5  -7  19 o 131.115 2.8111  2304.59   98.718    2286.00   138.874   2323.58   140.355   130.580 3.9706  131.649 3.9804  -1.068451      5.622178 
1 1 1 -5  -7  20 o 224.949 4.3619  6799.35   262.808   6744.26   370.872   6854.92   372.467   224.032 6.1805  225.865 6.1567  -1.833481      8.723764 
1 1 1 -5  -7  21 o 164.328 3.3538  3625.27   147.608   3573.62   207.978   3677.70   209.529   163.147 4.7594  165.508 4.7265  -2.361435      6.707538 
1 1 1 -5  -7  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  23 o 136.929 2.9321  2517.45   107.536   2493.19   151.321   2542.22   152.847   136.263 4.1460  137.596 4.1473  -1.333252      5.864261 
1 1 1 -5  -7  24 o 106.797 2.5176  1532.13   71.949    1593.23   101.141   1469.53   102.374   108.960 3.4655  104.633 3.6528  4.327194       5.035196 
1 1 1 -5  -7  25 o 156.332 3.2555  3285.69   136.269   3168.90   191.764   3404.81   193.678   153.518 4.6636  159.145 4.5436  -5.627853      6.510991 
1 1 1 -5  -7  26 o 152.583 3.1479  3129.02   128.628   3213.16   183.674   3048.04   180.192   154.597 4.4356  150.568 4.4680  4.028976       6.295871 
1 1 1 -5  -7  27 o 93.388  2.4145  1182.40   59.761    1012.01   86.063    1341.05   83.046    86.807  3.7015  99.969  3.1014  -13.16185      4.829048 
1 1 1 -5  -7  28 o 170.489 3.5509  3921.77   161.816   3675.16   230.681   4160.67   227.047   165.166 5.2144  175.812 4.8214  -10.64680      7.101833 
1 1 1 -5  -7  29 o 67.939  2.1028  619.312   38.172    622.366   56.042    616.669   52.138    68.091  3.0728  67.788  2.8715  0.3023300      4.205667 
1 1 1 -5  -7  30 o 97.710  2.4309  1286.01   63.453    1231.05   91.868    1336.15   87.745    95.694  3.5842  99.725  3.2849  -4.031471      4.861827 
1 1 1 -5  -7  31 o 174.671 3.5976  4128.76   168.176   4013.41   240.423   4239.28   235.333   172.239 5.2114  177.103 4.9610  -4.864059      7.195151 
1 1 1 -5  -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  33 f 116.820 2.6932  1843.01   84.188    1860.73   122.063   1826.92   116.267   117.335 3.8839  116.305 3.7323  1.030380       5.386481 
1 1 1 -5  -7  34 o 38.204  2.0718  198.070   20.738    196.976   32.064    198.856   27.190    38.072  3.1732  38.336  2.6646  -0.2640305     4.143594 
1 1 1 -5  -7  35 o 12.517  2.8593  18.751    10.856    29.370    17.773    12.430    13.712    14.548  4.2770  10.486  3.7959  4.061670       5.718545 
1 1 1 -5  -7  36 o 75.892  2.2323  780.490   45.178    786.494   67.210    775.541   61.020    76.115  3.2967  75.668  3.0107  0.4472046      4.464575 
1 1 1 -5  -7  37 o 33.531  2.1919  153.535   19.052    156.158   30.251    151.810   24.529    33.695  3.3982  33.367  2.7696  0.3287621      4.383866 
1 1 1 -5  -7  38 o 34.027  2.3208  163.998   19.964    139.915   31.665    179.887   25.720    31.719  3.8030  36.334  2.6613  -4.615023      4.641678 
1 1 1 -5  -7  39 o 29.161  2.3940  117.889   17.877    118.339   28.602    117.600   22.902    29.091  3.7586  29.230  2.9662  -0.1392040     4.788082 
1 1 1 -5  -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -7  41 f 48.884  2.2152  326.310   28.384    354.471   45.027    307.743   36.563    50.506  3.3474  47.261  2.9024  3.245186       4.430457 
1 1 1 -5  -7  42 o 20.983  3.0542  63.917    15.939    68.140    27.148    61.695    19.691    21.281  4.8683  20.685  3.6893  0.5952263      6.108308 
1 1 1 -5  -7  43 o 33.789  2.5485  164.659   21.773    157.466   35.512    168.992   27.562    32.861  4.1256  34.718  2.9932  -1.857399      5.097045 
1 1 1 -5  -7  44 o 45.412  2.3322  280.868   27.460    355.393   45.503    238.183   34.437    49.852  3.4286  40.972  3.1624  8.879704       4.664368 
1 1 1 -5  -7  45 o 10.844  3.0272  11.380    13.878    -13.0606  25.913    21.208    16.433    9.5054  4.3826  12.182  4.1773  -2.676885      6.054449 
1 1 1 -5  -7  46 o 14.411  3.2675  34.014    15.719    6.9613    29.103    45.156    18.677    11.732  5.0671  17.090  4.1268  -5.358086      6.534949 
1 1 1 -5  -7  47 o 18.222  7.7383  61.720    65.789    61.720    65.789    0.0000    0.0000    18.222  7.7383  ?       ?       ?              ?        
1 1 1 -5  -7  48 o 10.486  3.1107  8.9611    14.975    -15.6936  29.854    17.250    17.310    9.7430  4.5630  11.230  4.2290  -1.487038      6.221341 
1 1 1 -5  -7  49 o 25.053  3.7071  118.299   22.370    95.271    40.573    128.358   26.814    21.256  6.5121  28.850  3.5445  -7.594830      7.414286 
1 1 1 -5  -6  1  f 376.680 6.9576  19069.63  701.306   20052.22  992.794   18090.97  990.802   386.398 9.5926  366.961 10.080  19.43665       13.91517 
1 1 1 -5  -6  2  o 129.283 2.6757  2239.58   92.647    2270.64   130.952   2208.45   131.094   130.181 3.7555  128.385 3.8122  1.796097       5.351372 
1 1 1 -5  -6  3  f 568.904 10.449  43648.46  1591.83   42499.42  2250.01   44799.93  2252.38   561.357 14.964  576.450 14.588  -15.09308      20.89820 
1 1 1 -5  -6  4  o 99.207  2.1735  1318.43   57.755    1304.48   81.431    1332.54   81.926    98.679  3.0809  99.735  3.0668  -1.055946      4.347079 
1 1 1 -5  -6  5  o 240.361 4.5569  7747.50   293.368   7790.47   414.684   7704.45   415.087   241.030 6.4233  239.693 6.4654  1.336502       9.113729 
1 1 1 -5  -6  6  o 112.987 2.3360  1710.29   70.690    1686.44   99.870    1734.24   100.071   112.197 3.3233  113.776 3.2837  -1.579582      4.671940 
1 1 1 -5  -6  7  o 123.947 2.5513  2058.36   84.697    2041.14   119.887   2075.52   119.673   123.429 3.6263  124.465 3.5897  -1.035713      5.102550 
1 1 1 -5  -6  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -6  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -6  10 o 343.197 6.3866  15812.72  587.084   15773.97  831.036   15851.33  829.490   342.775 9.0515  343.618 9.0125  -0.8431091     12.77323 
1 1 1 -5  -6  11 o 221.859 4.2554  6599.46   252.855   6513.17   358.073   6685.28   357.110   220.410 6.0653  223.307 5.9705  -2.896912      8.510844 
1 1 1 -5  -6  12 o 277.673 5.2315  10343.86  388.996   10080.30  550.095   10607.47  550.153   274.129 7.4919  281.217 7.3039  -7.088013      10.46307 
1 1 1 -5  -6  13 o 376.578 6.9765  19049.88  703.380   18384.51  994.024   19717.14  995.435   369.973 10.031  383.184 9.6988  -13.21039      13.95293 
1 1 1 -5  -6  14 o 290.868 5.4761  11350.47  426.625   11268.75  602.915   11432.43  603.765   289.818 7.7668  291.918 7.7218  -2.100098      10.95212 
1 1 1 -5  -6  15 o 294.181 5.5305  11612.57  435.753   11751.43  615.842   11473.34  616.655   295.946 7.7690  292.416 7.8732  3.530029       11.06098 
1 1 1 -5  -6  16 o 377.582 7.0139  19157.31  709.284   18837.80  1002.21   19477.94  1003.96   374.418 9.9934  380.745 9.8444  -6.327393      14.02783 
1 1 1 -5  -6  17 o 87.624  2.2046  1030.02   51.663    1087.60   72.716    971.335   73.413    90.101  3.0131  85.147  3.2190  4.954041       4.409142 
1 1 1 -5  -6  18 o 321.282 6.0297  13872.05  518.850   13665.80  733.008   14079.14  734.524   318.881 8.5821  323.682 8.4722  -4.800934      12.05945 
1 1 1 -5  -6  19 o 65.269  1.9622  570.771   34.297    569.638   48.004    571.953   49.017    65.203  2.7487  65.335  2.8010  -0.1317902     3.924406 
1 1 1 -5  -6  20 o 287.680 5.4491  11137.93  419.849   10965.52  592.944   11311.29  594.572   285.438 7.7556  289.922 7.6566  -4.483612      10.89824 
1 1 1 -5  -6  21 o 166.694 3.4040  3730.38   151.980   3697.03   214.258   3764.16   215.611   165.943 4.8205  167.444 4.8074  -1.500763      6.807941 
1 1 1 -5  -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -6  23 o 156.205 3.2556  3278.90   136.181   3340.70   191.926   3216.25   193.258   157.694 4.5439  154.716 4.6635  2.977783       6.511185 
1 1 1 -5  -6  24 o 157.051 3.1902  3314.84   133.972   3574.44   191.177   3064.34   187.798   163.109 4.3759  150.993 4.6435  12.11673       6.380479 
1 1 1 -5  -6  25 o 83.659  2.1511  936.792   48.085    1033.36   69.668    848.941   66.450    87.770  2.9635  79.547  3.1187  8.223358       4.302169 
1 1 1 -5  -6  26 o 173.698 3.5187  4061.91   163.630   3971.71   233.186   4149.40   229.671   171.782 5.0680  175.614 4.8827  -3.831955      7.037403 
1 1 1 -5  -6  27 o 74.662  2.2036  754.839   43.666    664.834   63.393    836.097   60.234    70.377  3.3630  78.948  2.8485  -8.571350      4.407181 
1 1 1 -5  -6  28 o 117.990 2.6842  1872.42   84.719    1817.57   121.840   1923.75   117.879   116.304 3.9112  119.676 3.6774  -3.371834      5.368471 
1 1 1 -5  -6  29 o 144.454 3.1187  2814.62   120.382   2644.47   172.418   2976.45   168.154   140.156 4.5929  148.753 4.2204  -8.597412      6.237459 
1 1 1 -5  -6  30 o 54.449  2.2368  417.747   30.815    284.005   45.181    534.065   42.135    45.808  3.7144  63.091  2.4934  -17.28305      4.473643 
1 1 1 -5  -6  31 o 127.001 2.8146  2172.41   95.679    2188.90   138.110   2157.19   132.675   127.452 4.0457  126.550 3.9141  0.9015503      5.629199 
1 1 1 -5  -6  32 o 106.200 3.1257  1555.17   85.196    1643.37   108.015   1409.98   138.590   110.421 3.6521  101.979 5.0738  8.442108       6.251493 
1 1 1 -5  -6  33 o 49.978  2.1014  341.809   27.528    309.323   41.690    366.922   36.654    47.791  3.2767  52.166  2.6318  -4.375015      4.202729 
1 1 1 -5  -6  34 o 79.384  2.2601  851.664   47.844    842.448   70.870    859.382   64.852    78.957  3.3510  79.811  3.0337  -0.8539810     4.520258 
1 1 1 -5  -6  35 o 63.487  2.1086  541.580   35.655    573.537   53.901    516.716   47.543    65.121  3.0902  61.853  2.8697  3.268417       4.217190 
1 1 1 -5  -6  36 o 88.473  2.4172  1068.74   56.891    1015.33   84.230    1113.55   77.147    86.343  3.6421  90.602  3.1790  -4.259872      4.834346 
1 1 1 -5  -6  37 o 27.112  2.4934  105.785   16.727    86.474    26.588    118.435   21.519    24.780  4.1529  29.444  2.7609  -4.664188      4.986840 
1 1 1 -5  -6  38 o 61.309  2.1734  509.963   35.293    529.936   54.092    495.158   46.572    62.249  3.2555  60.368  2.8802  1.880547       4.346738 
1 1 1 -5  -6  39 o 48.371  2.2666  326.765   28.345    295.142   44.429    348.470   36.809    46.192  3.6199  50.551  2.7286  -4.359432      4.533132 
1 1 1 -5  -6  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -6  41 o 15.518  3.1704  36.766    14.620    18.711    24.396    46.884    18.262    13.060  4.9960  17.977  3.9045  -4.917443      6.340709 
1 1 1 -5  -6  42 o 56.935  2.3251  451.307   34.612    462.346   54.812    443.985   44.637    57.286  3.5903  56.585  2.9554  0.7009659      4.650259 
1 1 1 -5  -6  43 o 50.769  2.2964  353.799   30.433    410.396   49.372    319.119   38.648    53.813  3.4434  47.724  3.0393  6.089115       4.592817 
1 1 1 -5  -6  44 o 46.840  2.3950  308.165   29.049    338.533   47.605    290.149   36.666    48.365  3.7029  45.316  3.0385  3.049145       4.789991 
1 1 1 -5  -6  45 o 12.251  3.0988  19.911    14.566    -7.9457   26.155    32.435    17.537    9.9583  4.5194  14.543  4.2409  -4.584808      6.197605 
1 1 1 -5  -6  46 o 13.308  3.2856  27.058    14.941    8.0431    28.464    34.290    17.553    11.747  5.0417  14.868  4.2146  -3.120720      6.571221 
1 1 1 -5  -6  47 o 31.577  3.1595  156.325   24.140    152.130   41.600    158.454   29.641    30.349  5.3110  32.804  3.4240  -2.454609      6.318994 
1 1 1 -5  -6  48 o 15.915  3.6795  32.957    17.307    76.267    33.336    16.977    20.249    20.374  5.8194  11.455  4.5045  8.918870       7.359092 
1 1 1 -5  -5  1  o 219.580 4.2008  6464.72   247.057   6396.87   349.477   6532.50   349.306   218.427 5.9734  220.733 5.9081  -2.306259      8.401652 
1 1 1 -5  -5  2  o 196.228 3.7608  5161.82   197.641   5064.65   279.226   5259.38   279.788   194.376 5.3632  198.080 5.2735  -3.704575      7.521547 
1 1 1 -5  -5  3  o 42.578  1.4707  243.136   16.722    227.925   23.458    258.854   23.845    41.196  2.1332  43.961  2.0251  -2.765434      2.941363 
1 1 1 -5  -5  4  o 121.112 2.4971  1965.31   81.003    1978.49   114.307   1952.00   114.807   121.521 3.5118  120.704 3.5510  0.8168488      4.994293 
1 1 1 -5  -5  5  o 152.053 3.0158  3098.50   122.801   3021.50   173.500   3175.79   173.833   150.159 4.3138  153.947 4.2157  -3.788376      6.031691 
1 1 1 -5  -5  6  o 206.853 3.9538  5736.13   219.063   5735.03   309.912   5737.23   309.692   206.833 5.5941  206.873 5.5890  -0.3988647E-01 7.907655 
1 1 1 -5  -5  7  o 130.748 2.6902  2290.44   94.180    2370.39   133.818   2211.97   132.572   133.010 3.7561  128.486 3.8522  4.523041       5.380327 
1 1 1 -5  -5  8  o 68.892  1.8291  636.988   33.687    603.925   48.260    668.407   47.045    67.145  2.6834  70.640  2.4864  -3.494827      3.658276 
1 1 1 -5  -5  9  o 284.348 5.3389  10849.21  406.544   10616.76  575.500   11080.76  574.382   281.302 7.6381  287.395 7.4616  -6.093170      10.67782 
1 1 1 -5  -5  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -5  11 o 805.163 14.797  87963.19  3191.18   88528.19  4513.39   87398.38  4512.62   807.781 20.860  802.544 20.993  5.236938       29.59476 
1 1 1 -5  -5  12 o 387.367 7.1872  20157.42  745.675   19902.42  1054.01   20412.95  1055.08   384.908 10.223  389.827 10.105  -4.919220      14.37445 
1 1 1 -5  -5  13 o 330.220 6.1757  14636.13  546.218   14498.96  771.873   14773.72  773.065   328.668 8.7680  331.773 8.6993  -3.105316      12.35136 
1 1 1 -5  -5  14 o 455.342 8.3832  27880.31  1022.43   27762.35  1445.31   27998.49  1446.56   454.375 11.876  456.309 11.836  -1.934601      16.76638 
1 1 1 -5  -5  15 o 350.104 6.5091  16457.92  610.336   16194.88  862.442   16721.83  863.851   347.295 9.2713  352.913 9.1386  -5.617859      13.01815 
1 1 1 -5  -5  16 o 384.019 7.1286  19817.00  733.110   19372.81  1035.93   20262.64  1037.63   379.694 10.186  388.343 9.9755  -8.648865      14.25715 
1 1 1 -5  -5  17 o 252.502 4.8171  8554.33   325.714   8320.77   459.983   8789.21   461.278   249.040 6.8958  255.965 6.7281  -6.925125      9.634285 
1 1 1 -5  -5  18 o 235.085 4.5223  7415.23   284.727   7283.58   402.012   7547.73   403.320   232.989 6.4419  237.182 6.3486  -4.193542      9.044514 
1 1 1 -5  -5  19 f 253.769 4.8573  8648.86   330.145   8540.26   466.193   8758.12   467.600   252.167 6.9022  255.370 6.8362  -3.203140      9.714646 
1 1 1 -5  -5  20 o 267.049 5.0956  9590.28   364.473   9511.28   514.697   9669.75   516.191   265.943 7.2256  268.155 7.1868  -2.212311      10.19113 
1 1 1 -5  -5  21 o 288.859 5.4690  11244.49  423.127   11200.38  599.519   11288.27  597.271   288.288 7.7641  289.430 7.7044  -1.142731      10.93793 
1 1 1 -5  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -5  23 o 42.445  1.7978  242.480   20.290    240.936   29.762    243.820   27.733    42.311  2.6393  42.579  2.4419  -0.2682991     3.595668 
1 1 1 -5  -5  24 o 195.659 3.8676  5152.27   202.678   5179.79   288.302   5125.37   284.986   196.173 5.4868  195.145 5.4523  1.027145       7.735121 
1 1 1 -5  -5  25 o 67.289  1.9962  604.366   35.605    734.722   52.319    491.910   48.594    74.021  2.6388  60.556  2.9960  13.46511       3.992410 
1 1 1 -5  -5  26 o 52.357  1.9309  365.896   26.931    408.186   39.824    330.256   36.559    55.169  2.6950  49.545  2.7659  5.623810       3.861763 
1 1 1 -5  -5  27 o 48.158  2.0333  311.942   26.017    315.550   38.536    308.920   35.267    48.405  2.9869  47.912  2.7598  0.4933739      4.066674 
1 1 1 -5  -5  28 o 166.241 3.4005  3719.02   151.392   3763.54   216.480   3676.41   211.798   167.210 4.8335  165.272 4.7845  1.938507       6.801060 
1 1 1 -5  -5  29 o 113.762 2.5915  1735.38   78.835    1882.23   114.153   1601.48   109.004   118.360 3.6007  109.164 3.7280  9.196091       5.182968 
1 1 1 -5  -5  30 o 133.837 2.9012  2408.35   103.940   2514.49   149.834   2309.89   144.309   136.678 4.0928  130.996 4.1129  5.681778       5.802302 
1 1 1 -5  -5  31 o 113.999 2.6395  1749.41   80.510    1758.58   116.723   1741.08   111.194   114.271 3.8136  113.727 3.6503  0.5431595      5.279016 
1 1 1 -5  -5  32 o 42.426  2.2044  249.508   24.209    205.884   36.344    284.298   32.457    38.933  3.5234  45.919  2.6502  -6.985748      4.408804 
1 1 1 -5  -5  33 o 76.277  2.2236  784.528   45.221    779.656   67.140    788.574   61.179    76.036  3.2966  76.517  2.9850  -0.4810944     4.447266 
1 1 1 -5  -5  34 o 54.036  2.0435  391.919   29.276    419.651   44.542    370.828   38.846    55.691  2.9971  52.380  2.7787  3.310585       4.087011 
1 1 1 -5  -5  35 o 63.672  2.1621  551.665   36.427    528.881   54.891    569.595   48.695    62.398  3.2959  64.946  2.7992  -2.547516      4.324237 
1 1 1 -5  -5  36 o 33.865  2.1984  158.840   19.146    147.161   30.202    166.686   24.756    32.710  3.5016  35.019  2.6591  -2.309692      4.396821 
1 1 1 -5  -5  37 o 56.531  2.1554  434.646   32.194    439.954   49.208    430.674   42.568    56.768  3.2498  56.293  2.8322  0.4747391      4.310738 
1 1 1 -5  -5  38 o 33.137  2.3014  152.499   19.574    145.190   31.130    157.278   25.172    32.350  3.6568  33.923  2.7953  -1.572182      4.602836 
1 1 1 -5  -5  39 o 13.281  3.1054  23.543    12.560    23.647    20.715    23.482    15.795    13.530  4.6872  13.032  4.0748  0.4981050      6.210803 
1 1 1 -5  -5  40 o 48.247  2.2874  323.801   28.635    310.292   45.299    332.792   36.954    47.221  3.6088  49.272  2.8118  -2.050877      4.574875 
1 1 1 -5  -5  41 o 17.255  3.2703  44.186    14.894    41.901    25.953    45.308    18.187    16.868  5.2151  17.643  3.9474  -0.7745781     6.540563 
1 1 1 -5  -5  42 o 48.953  2.3115  327.630   29.568    376.779   47.680    296.919   37.690    51.748  3.4599  46.157  3.0660  5.590858       4.622948 
1 1 1 -5  -5  43 o 25.856  2.8445  95.623    18.031    106.007   31.547    90.585    21.974    26.550  4.6029  25.161  3.3432  1.389072       5.688910 
1 1 1 -5  -5  44 o 20.670  3.2849  65.816    16.941    66.635    29.504    65.414    20.692    20.344  5.3451  20.996  3.8201  -0.6527672     6.569895 
1 1 1 -5  -5  45 o 15.878  3.5432  38.890    15.900    41.552    29.495    37.799    18.878    16.143  5.5929  15.613  4.3516  0.5303402      7.086406 
1 1 1 -5  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -5  47 o 14.952  3.1133  38.291    17.181    -15.6892  32.161    59.847    20.324    10.240  4.7762  19.664  3.9949  -9.424323      6.226645 
1 1 1 -5  -5  48 o 23.898  3.6632  105.336   21.518    80.453    38.762    116.421   25.870    20.127  6.3955  27.669  3.5742  -7.542521      7.326455 
1 1 1 -5  -4  1  o 60.032  1.7292  482.748   27.805    484.842   39.306    480.651   39.338    60.163  2.4392  59.902  2.4518  0.2606659      3.458431 
1 1 1 -5  -4  2  o 620.058 15.863  51990.60  2490.49   51175.08  3049.55   53623.78  4315.53   614.506 18.528  625.610 25.754  -11.10388      31.72591 
1 1 1 -5  -4  3  o 140.018 2.8070  2627.17   105.267   2653.95   148.630   2600.22   149.112   140.734 3.9429  139.301 3.9964  1.432968       5.614068 
1 1 1 -5  -4  4  o 191.479 3.6750  4914.84   188.474   4869.03   266.361   4960.77   266.725   190.584 5.2179  192.373 5.1764  -1.788559      7.349962 
1 1 1 -5  -4  5  o 97.690  2.1633  1278.66   56.597    1254.55   80.130    1302.65   79.951    96.771  3.0914  98.609  3.0270  -1.838379      4.326657 
1 1 1 -5  -4  6  o 99.731  2.2221  1332.39   59.356    1341.35   84.511    1323.67   83.384    100.062 3.1532  99.401  3.1319  0.6611786      4.444256 
1 1 1 -5  -4  7  o 237.088 4.5066  7538.42   286.173   7473.54   405.405   7602.86   404.017   236.069 6.4115  238.107 6.3349  -2.037582      9.013231 
1 1 1 -5  -4  8  o 94.090  2.1886  1185.99   55.153    1185.40   78.413    1186.56   77.591    94.066  3.1122  94.113  3.0780  -0.4659271E-01 4.377208 
1 1 1 -5  -4  9  o 47.517  1.6501  302.902   20.954    291.356   29.599    314.503   29.668    46.577  2.3805  48.456  2.2859  -1.878483      3.300288 
1 1 1 -5  -4  10 o 268.719 7.1843  9703.07   517.020   9860.34   729.660   9544.48   732.704   270.915 10.055  266.523 10.264  4.391937       14.36854 
1 1 1 -5  -4  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -4  12 f 405.744 7.5033  22129.91  814.897   21171.59  1151.27   23092.12  1153.61   396.909 10.829  414.578 10.389  -17.66907      15.00661 
1 1 1 -5  -4  13 o 219.900 4.2251  6482.88   248.842   6385.66   351.457   6580.62   352.377   218.245 6.0123  221.555 5.9380  -3.309387      8.450253 
1 1 1 -5  -4  14 o 795.966 14.682  85923.50  3128.77   82991.09  4422.12   88862.89  4427.38   782.201 21.107  809.730 20.413  -27.52979      29.36339 
1 1 1 -5  -4  15 o 103.873 2.4122  1445.74   67.101    1466.72   94.523    1424.41   95.271    104.634 3.3727  103.113 3.4495  1.521057       4.824337 
1 1 1 -5  -4  16 o 39.995  1.8659  215.124   19.870    207.620   27.821    222.938   28.389    39.279  2.6601  40.712  2.6172  -1.432674      3.731768 
1 1 1 -5  -4  17 o 279.678 5.2981  10497.22  396.871   10581.80  560.783   10412.36  561.740   280.809 7.4558  278.546 7.5292  2.262909       10.59613 
1 1 1 -5  -4  18 o 190.632 3.7777  4872.97   192.885   4819.13   272.200   4927.26   273.363   189.574 5.3607  191.690 5.3242  -2.116608      7.555387 
1 1 1 -5  -4  19 o 237.546 4.5875  7584.50   291.441   7117.32   412.837   8048.62   411.486   230.227 6.6947  244.865 6.2739  -14.63890      9.175049 
1 1 1 -5  -4  20 o 102.807 2.3913  1416.95   65.828    1409.50   94.157    1424.07   92.067    102.542 3.4282  103.073 3.3348  -0.5311813     4.782596 
1 1 1 -5  -4  21 o 216.241 4.2580  6295.91   246.130   5859.07   349.047   6727.94   347.120   208.738 6.2430  223.744 5.7921  -15.00578      8.516100 
1 1 1 -5  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -4  23 f 205.288 4.0363  5671.29   221.932   5712.96   315.508   5630.48   312.237   206.033 5.7172  204.544 5.6991  1.489563       8.072590 
1 1 1 -5  -4  24 o 155.047 3.1718  3229.14   131.638   3394.03   188.034   3070.64   184.348   158.935 4.4170  151.158 4.5532  7.776855       6.343634 
1 1 1 -5  -4  25 o 44.277  1.8815  261.979   22.060    307.886   32.599    223.197   29.963    47.851  2.5527  40.702  2.7648  7.149212       3.762999 
1 1 1 -5  -4  26 o 93.219  2.3840  1172.20   59.222    1068.32   85.357    1268.63   82.236    89.204  3.5725  97.234  3.1576  -8.030235      4.767902 
1 1 1 -5  -4  27 o 106.135 2.5779  1521.42   72.851    1368.53   104.878   1663.99   101.271   100.933 3.8794  111.336 3.3959  -10.40313      5.155773 
1 1 1 -5  -4  28 o 27.368  2.2721  101.515   16.283    106.535   24.251    97.394    21.972    27.978  3.2995  26.758  3.1246  1.220610       4.544181 
1 1 1 -5  -4  29 o 55.830  2.0052  416.400   29.836    449.319   44.466    389.442   40.238    57.862  2.8691  53.799  2.8021  4.063183       4.010393 
1 1 1 -5  -4  30 o 209.436 4.1236  5935.18   231.290   6056.09   330.292   5818.84   323.985   211.529 5.8296  207.343 5.8337  4.186340       8.247217 
1 1 1 -5  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -4  32 o 79.339  2.3287  856.143   48.971    766.288   72.087    933.147   66.733    75.396  3.5696  83.281  2.9916  -7.885506      4.657436 
1 1 1 -5  -4  33 o 82.298  2.2486  906.902   49.395    1002.01   73.479    828.489   66.719    86.207  3.1823  78.389  3.1777  7.818153       4.497143 
1 1 1 -5  -4  34 o 72.011  2.2249  704.083   42.522    670.469   63.713    731.081   57.100    70.406  3.3785  73.616  2.8959  -3.209915      4.449795 
1 1 1 -5  -4  35 o 10.292  2.6700  11.150    10.091    0.5070    16.572    17.420    12.720    9.1377  3.8823  11.447  3.6665  -2.308933      5.339981 
1 1 1 -5  -4  36 o 46.213  2.1266  292.034   25.746    282.724   39.809    298.729   33.757    45.502  3.2885  46.924  2.6972  -1.421875      4.253123 
1 1 1 -5  -4  37 o 41.636  2.1172  231.005   23.104    269.638   36.750    205.758   29.709    44.430  3.1077  38.842  2.8760  5.588009       4.234300 
1 1 1 -5  -4  38 o 24.392  2.6240  83.544    16.020    82.698    26.213    84.048    20.240    24.142  4.2066  24.642  3.1377  -0.4997139     5.247941 
1 1 1 -5  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -4  40 o 11.454  3.0594  14.268    12.292    12.233    21.820    15.214    14.878    11.784  4.6624  11.124  3.9626  0.6599588      6.118864 
1 1 1 -5  -4  41 f 22.297  3.1811  79.723    17.458    52.382    29.384    94.641    21.705    18.618  5.5067  25.976  3.1864  -7.358158      6.362161 
1 1 1 -5  -4  42 o 32.725  2.8014  161.639   22.094    129.823   36.573    179.924   27.726    29.514  4.7907  35.936  2.9053  -6.422832      5.602848 
1 1 1 -5  -4  43 o 9.7103  2.9225  1.8212    12.382    9.8029    22.412    -1.6851   14.855    11.273  4.6297  8.1480  3.5680  3.124622       5.845076 
1 1 1 -5  -4  44 o 23.989  3.1453  83.946    18.429    99.876    32.715    76.541    22.304    25.233  5.0171  22.745  3.7947  2.487839       6.290570 
1 1 1 -5  -4  45 o 9.3320  2.9171  -0.3498   13.568    -14.0627  26.360    4.5926    15.825    9.4993  4.3939  9.1647  3.8382  0.3345356      5.834202 
1 1 1 -5  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -4  47 f 9.5198  3.0146  -0.2889   14.492    -12.9831  29.483    3.7554    16.641    9.9464  4.6170  9.0931  3.8775  0.8533220      6.029189 
1 1 1 -5  -4  48 f 18.839  3.7639  58.669    18.309    79.339    34.739    50.718    21.545    20.323  5.9810  17.355  4.5712  2.967249       7.527783 
1 1 1 -5  -3  1  o 178.582 3.4856  4274.87   166.725   4285.95   235.687   4263.77   235.883   178.814 4.9209  178.350 4.9378  0.4637756      6.971187 
1 1 1 -5  -3  2  o 283.045 5.2844  10751.50  400.624   10697.88  566.237   10805.25  566.899   282.337 7.4876  283.752 7.4589  -1.415680      10.56881 
1 1 1 -5  -3  3  o 150.258 2.9745  3025.71   119.705   2981.50   169.044   3070.17   169.534   149.157 4.2312  151.360 4.1817  -2.202927      5.948965 
1 1 1 -5  -3  4  o 28.959  1.3929  112.855   10.739    112.350   15.270    113.348   15.106    28.894  1.9852  29.025  1.9544  -0.1309681     2.785797 
1 1 1 -5  -3  5  o 351.049 6.4629  16553.72  607.687   16665.80  860.180   16442.06  858.619   352.238 9.1172  349.861 9.1626  2.377563       12.92581 
1 1 1 -5  -3  6  o 180.507 3.5350  4367.30   170.910   4405.34   242.445   4329.72   240.968   181.289 4.9929  179.725 5.0056  1.563095       7.070054 
1 1 1 -5  -3  7  o 218.624 4.1825  6408.78   244.911   6473.50   346.573   6344.22   346.140   219.727 5.8887  217.520 5.9411  2.207382       8.364996 
1 1 1 -5  -3  8  o 181.265 3.5544  4404.51   172.525   4280.27   243.606   4529.52   244.369   178.698 5.0895  183.832 4.9629  -5.133240      7.108718 
1 1 1 -5  -3  9  o 327.455 6.0820  14394.96  533.404   14180.77  753.826   14609.74  754.868   325.011 8.6593  329.900 8.5428  -4.889679      12.16401 
1 1 1 -5  -3  10 o 58.079  1.7952  451.812   27.915    434.615   39.262    469.393   39.697    56.961  2.5734  59.196  2.5037  -2.235489      3.590370 
1 1 1 -5  -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -3  12 f 174.707 3.4709  4090.78   162.398   4007.09   229.255   4175.08   230.077   172.912 4.9500  176.502 4.8667  -3.589508      6.941707 
1 1 1 -5  -3  13 o 545.365 10.040  40067.64  1466.60   39723.44  2073.40   40412.30  2074.76   543.008 14.256  547.722 14.142  -4.713623      20.08053 
1 1 1 -5  -3  14 o 760.858 14.008  78435.62  2852.84   75069.56  4031.49   81811.82  4037.57   744.323 20.222  777.394 19.391  -33.07068      28.01617 
1 1 1 -5  -3  15 o 547.393 10.082  40376.11  1477.87   39290.51  2088.71   41464.45  2091.35   539.982 14.441  554.805 14.073  -14.82306      20.16466 
1 1 1 -5  -3  16 f 150.570 3.1446  3045.20   126.450   2790.17   179.465   3296.64   178.195   144.290 4.6436  156.849 4.2415  -12.55894      6.289176 
1 1 1 -5  -3  17 o 167.357 3.3803  3754.58   151.509   3717.56   215.271   3790.91   213.274   166.539 4.8259  168.176 4.7346  -1.637604      6.760638 
1 1 1 -5  -3  18 o 42.802  2.5558  240.006   27.156    267.589   48.865    227.680   32.665    44.490  4.1485  41.115  2.9865  3.374409       5.111692 
1 1 1 -5  -3  19 o 88.276  2.1973  1044.31   51.929    1041.57   74.551    1046.90   72.375    88.163  3.1570  88.390  3.0570  -0.2269897     4.394566 
1 1 1 -5  -3  20 o 215.067 4.1730  6211.81   240.380   6243.19   341.331   6180.94   338.584   215.605 5.9105  214.529 5.8924  1.075897       8.345943 
1 1 1 -5  -3  21 o 252.146 4.8165  8558.45   325.233   8405.48   461.259   8709.70   458.649   249.891 6.8914  254.402 6.7309  -4.511673      9.633042 
1 1 1 -5  -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -3  23 o 143.342 3.0531  2761.76   117.125   2674.27   167.154   2846.15   164.167   141.100 4.4228  145.584 4.2100  -4.484070      6.106195 
1 1 1 -5  -3  24 o 178.439 3.5816  4281.65   171.126   4438.39   244.003   4129.92   240.062   181.660 5.0147  175.219 5.1151  6.441452       7.163213 
1 1 1 -5  -3  25 o 148.627 3.0749  2967.15   122.253   3180.95   175.080   2763.72   170.784   153.861 4.2483  143.393 4.4466  10.46793       6.149850 
1 1 1 -5  -3  26 o 105.654 2.4760  1495.43   69.940    1629.94   101.249   1372.65   96.727    110.194 3.4304  101.114 3.5715  9.080269       4.952070 
1 1 1 -5  -3  27 o 126.415 2.8334  2150.17   95.798    2075.13   137.695   2220.56   133.365   124.261 4.1371  128.570 3.8727  -4.308372      5.666867 
1 1 1 -5  -3  28 o 68.995  2.1860  647.480   39.817    559.481   58.132    725.248   54.648    64.464  3.3785  73.525  2.7749  -9.061676      4.372005 
1 1 1 -5  -3  29 o 152.161 3.2106  3117.95   130.788   3106.69   187.742   3128.56   182.302   151.881 4.6150  152.442 4.4648  -0.5608521     6.421213 
1 1 1 -5  -3  30 o 169.381 3.5267  3876.63   159.863   3783.58   229.062   3964.99   223.212   167.364 5.1098  171.398 4.8621  -4.034439      7.053344 
1 1 1 -5  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -3  32 o 37.751  2.1027  193.924   20.802    186.595   31.778    199.421   27.518    37.083  3.2316  38.419  2.6911  -1.336510      4.205373 
1 1 1 -5  -3  33 o 68.140  2.1165  620.652   38.457    682.703   57.790    571.334   51.520    71.166  3.0317  65.113  2.9541  6.052155       4.232951 
1 1 1 -5  -3  34 o 60.880  2.0927  493.943   33.821    566.951   51.654    439.157   44.746    64.799  2.9761  56.961  2.9429  7.837616       4.185388 
1 1 1 -5  -3  35 o 66.175  2.1776  595.018   38.180    582.971   57.646    604.432   50.961    65.484  3.2971  66.866  2.8454  -1.382057      4.355159 
1 1 1 -5  -3  36 o 66.380  2.1961  597.094   38.720    605.820   58.854    590.435   51.414    66.752  3.2917  66.008  2.9080  0.7444534      4.392282 
1 1 1 -5  -3  37 o 51.816  2.2446  372.637   30.220    336.052   46.856    398.694   39.544    49.465  3.5603  54.167  2.7344  -4.702007      4.489187 
1 1 1 -5  -3  38 o 45.333  2.2472  280.861   26.506    286.523   42.301    277.200   34.011    45.600  3.4898  45.065  2.8320  0.5352554      4.494379 
1 1 1 -5  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -3  40 o 29.049  2.8449  127.549   19.714    96.088    32.377    146.087   24.853    25.571  4.9056  32.527  2.8824  -6.956930      5.689783 
1 1 1 -5  -3  41 o 35.951  2.5012  177.682   22.993    199.738   38.483    165.436   28.675    37.473  3.8908  34.430  3.1441  3.043175       5.002351 
1 1 1 -5  -3  42 o 16.295  3.3193  41.537    15.163    30.151    27.114    46.718    18.290    14.804  5.3410  17.786  3.9427  -2.982560      6.638662 
1 1 1 -5  -3  43 o 22.960  3.0977  75.591    17.669    94.487    30.364    65.916    21.727    24.865  4.7321  21.055  3.9989  3.810078       6.195449 
1 1 1 -5  -3  44 o 16.344  3.2280  26.070    15.749    83.482    29.796    3.8112    18.552    23.010  4.9791  9.6777  4.1096  13.33222       6.456012 
1 1 1 -5  -3  45 o 23.272  3.2559  77.306    18.618    109.609   33.363    62.698    22.436    26.369  4.9042  20.176  4.2840  6.192610       6.511868 
1 1 1 -5  -3  46 f 15.405  3.7415  37.356    17.561    38.821    33.254    36.790    20.680    15.608  5.8646  15.202  4.6479  0.4058676      7.483100 
1 1 1 -5  -3  47 o 16.309  3.7916  40.865    17.463    61.330    33.873    33.457    20.380    18.259  5.9937  14.358  4.6453  3.901106       7.583111 
1 1 1 -5  -2  1  o 292.731 5.4470  11502.96  427.073   11594.66  603.759   11411.13  604.186   293.901 7.6696  291.560 7.7367  2.341187       10.89398 
1 1 1 -5  -2  2  o 252.236 4.7386  8535.68   320.132   8446.02   452.337   8625.66   453.132   250.907 6.7307  253.565 6.6719  -2.658142      9.477146 
1 1 1 -5  -2  3  o 449.333 8.2551  27201.61  992.352   28756.74  1404.70   25652.22  1402.10   462.229 11.346  436.438 11.994  25.79068       16.51020 
1 1 1 -5  -2  4  o 427.782 7.8919  24624.99  904.240   24484.22  1279.56   24765.42  1278.02   426.554 11.199  429.010 11.122  -2.456635      15.78371 
1 1 1 -5  -2  5  o 273.452 5.1362  10034.09  376.188   10107.89  532.546   9960.60   531.476   274.457 7.2443  272.447 7.2830  2.009918       10.27239 
1 1 1 -5  -2  6  o 148.292 3.0246  2947.02   120.136   2946.42   169.714   2947.62   170.082   148.277 4.2732  148.307 4.2816  -0.2993774E-01 6.049180 
1 1 1 -5  -2  7  o 169.724 3.3733  3861.05   153.335   3786.37   216.507   3936.20   217.190   168.077 4.8092  171.372 4.7316  -3.295380      6.746644 
1 1 1 -5  -2  8  o 342.800 6.3683  15780.52  584.725   15796.87  826.683   15764.15  827.168   342.979 8.9988  342.622 9.0134  0.3569946      12.73655 
1 1 1 -5  -2  9  o 408.464 7.5575  22427.15  826.814   22205.19  1168.86   22649.43  1169.72   406.434 10.737  410.493 10.639  -4.059326      15.11506 
1 1 1 -5  -2  10 o 123.104 2.6612  2030.52   87.732    1979.94   123.758   2081.62   124.387   121.562 3.8009  124.645 3.7257  -3.083649      5.322397 
1 1 1 -5  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -2  12 o 211.917 4.1135  6020.90   233.469   6098.21   329.871   5943.30   330.480   213.282 5.7743  210.553 5.8600  2.729523       8.226914 
1 1 1 -5  -2  13 o 428.612 7.8992  24721.51  904.999   26601.51  1282.12   22854.68  1277.62   444.928 10.758  412.296 11.569  32.63150       15.79841 
1 1 1 -5  -2  14 o 130.431 2.7843  2279.84   97.250    2247.39   138.305   2311.57   136.773   129.512 3.9869  131.350 3.8876  -1.837936      5.568575 
1 1 1 -5  -2  15 o 75.378  2.0541  762.541   41.396    724.188   59.299    799.000   57.816    73.525  3.0111  77.231  2.7949  -3.705872      4.108273 
1 1 1 -5  -2  16 o 154.593 3.2042  3206.70   132.493   3029.31   188.178   3381.08   186.578   150.345 4.6729  158.841 4.3854  -8.496017      6.408425 
1 1 1 -5  -2  17 o 322.416 6.0506  13959.64  522.522   13966.44  740.081   13952.89  737.841   322.493 8.5678  322.339 8.5460  0.1542053      12.10126 
1 1 1 -5  -2  18 o 233.996 4.4469  7348.48   278.477   7730.84   395.314   6971.82   392.353   240.050 6.1483  227.943 6.4263  12.10693       8.893736 
1 1 1 -5  -2  19 o 154.237 3.1663  3189.66   130.800   3218.83   186.246   3161.27   183.737   154.933 4.4880  153.542 4.4677  1.390823       6.332643 
1 1 1 -5  -2  20 o 302.780 5.6950  12346.04  461.805   12587.27  654.703   12107.18  651.492   305.735 7.9948  299.824 8.1125  5.911530       11.38990 
1 1 1 -5  -2  21 o 79.792  2.3821  894.029   46.768    968.629   57.500    748.221   80.389    85.015  2.5252  74.569  4.0399  10.44622       4.764188 
1 1 1 -5  -2  22 o 96.144  3.2226  1240.98   81.678    1530.65   119.327   985.613   112.038   106.781 4.1721  85.507  4.9125  21.27399       6.445111 
1 1 1 -5  -2  23 o 131.722 2.8333  2329.01   99.940    2351.67   143.103   2307.43   139.635   132.345 4.0369  131.099 3.9765  1.245911       5.666534 
1 1 1 -5  -2  24 o 128.007 2.7669  2198.28   94.766    2345.93   136.076   2059.23   132.052   132.183 3.8434  123.831 3.9813  8.351768       5.533775 
1 1 1 -5  -2  25 o 138.303 2.9595  2568.93   109.604   2616.59   157.200   2523.84   152.897   139.548 4.2057  137.057 4.1649  2.491257       5.919000 
1 1 1 -5  -2  26 o 49.450  2.0437  331.473   26.715    307.046   39.534    352.001   36.241    47.736  3.1089  51.164  2.6537  -3.427658      4.087472 
1 1 1 -5  -2  27 o 182.796 3.7070  4501.10   181.452   4471.40   259.191   4529.65   254.107   182.191 5.3113  183.402 5.1728  -1.210251      7.414040 
1 1 1 -5  -2  28 o 153.291 3.1679  3158.44   129.919   3380.36   186.734   2950.23   180.871   158.518 4.3980  148.065 4.5607  10.45309       6.335792 
1 1 1 -5  -2  29 o 111.563 2.6315  1675.48   78.475    1633.42   113.823   1713.58   108.341   110.211 3.8558  112.915 3.5822  -2.703728      5.263040 
1 1 1 -5  -2  30 o 163.212 3.3620  3592.48   146.891   3762.29   211.225   3433.46   204.411   166.952 4.7235  159.472 4.7855  7.479248       6.724064 
1 1 1 -5  -2  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -2  32 o 73.432  2.1783  720.531   42.668    792.036   63.956    663.180   57.278    76.685  3.1137  70.179  3.0471  6.506172       4.356645 
1 1 1 -5  -2  33 o 52.864  2.1027  378.381   29.354    375.007   44.665    380.947   38.947    52.618  3.1842  53.110  2.7472  -0.4924965     4.205474 
1 1 1 -5  -2  34 o 103.157 2.6599  1453.92   72.984    1346.90   107.110   1546.67   99.717    99.491  4.0194  106.824 3.4851  -7.332581      5.319888 
1 1 1 -5  -2  35 o 56.021  2.0979  420.102   31.123    475.418   47.781    379.339   41.017    59.173  3.0248  52.869  2.9077  6.304775       4.195729 
1 1 1 -5  -2  36 o 39.136  2.2121  210.091   22.511    205.284   35.363    213.367   29.189    38.671  3.4503  39.600  2.7693  -0.9288177     4.424188 
1 1 1 -5  -2  37 o 45.465  2.2487  287.433   26.471    260.078   41.283    306.534   34.496    43.461  3.5782  47.469  2.7246  -4.007927      4.497404 
1 1 1 -5  -2  38 o 28.052  2.7875  118.350   18.603    86.116    30.409    137.628   23.516    24.414  4.8214  31.690  2.7993  -7.276320      5.575073 
1 1 1 -5  -2  39 o 32.053  2.6063  149.342   20.635    123.552   33.338    165.359   26.272    29.422  4.3624  34.684  2.8533  -5.261515      5.212671 
1 1 1 -5  -2  40 f 21.442  3.1224  70.040    16.590    57.236    28.012    76.959    20.590    19.530  5.2441  23.354  3.3907  -3.823448      6.244802 
1 1 1 -5  -2  41 o 27.573  2.7146  105.113   18.824    124.175   31.945    94.974    23.298    29.275  4.1938  25.870  3.4481  3.404570       5.429289 
1 1 1 -5  -2  42 o 31.837  2.6086  134.127   20.887    191.622   36.503    106.140   25.468    36.498  3.7893  27.177  3.5863  9.320295       5.217265 
1 1 1 -5  -2  43 o 27.844  3.2423  126.808   20.817    91.960    36.154    144.092   25.462    23.782  5.7410  31.907  3.0150  -8.125803      6.484552 
1 1 1 -5  -2  44 o 16.824  2.9822  50.070    16.606    -3.5694   29.393    75.216    20.125    10.934  4.8909  22.713  3.4136  -11.77868      5.964403 
1 1 1 -5  -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -2  46 o 8.9063  2.9043  -7.5595   13.685    -5.9724   28.064    -8.0546   15.675    10.311  4.6804  7.5013  3.4401  2.809988       5.808603 
1 1 1 -5  -2  47 o 13.356  3.4545  28.624    16.060    15.030    31.438    33.424    18.682    12.387  5.3068  14.325  4.4239  -1.938458      6.908926 
1 1 1 -5  -1  1  o 300.392 5.5659  12115.57  447.798   11932.09  632.711   12299.71  633.856   298.108 7.9240  302.675 7.8185  -4.567688      11.13188 
1 1 1 -5  -1  2  f 252.625 4.6929  8562.31   317.543   8628.12   449.345   8496.66   448.803   253.596 6.6153  251.654 6.6583  1.942245       9.385893 
1 1 1 -5  -1  3  o 560.746 10.306  42475.97  1547.57   43608.43  2190.39   41347.23  2186.79   568.270 14.391  553.223 14.758  15.04724       20.61256 
1 1 1 -5  -1  4  o 361.257 6.7483  17542.33  652.877   17912.24  923.535   17172.78  923.081   365.078 9.4445  357.436 9.6417  7.641296       13.49668 
1 1 1 -5  -1  5  o 61.129  1.7909  500.552   29.322    499.870   41.303    501.245   41.634    61.087  2.5244  61.170  2.5411  -0.8383179E-01 3.581822 
1 1 1 -5  -1  6  o 330.159 6.1673  14639.36  545.383   14730.95  771.153   14547.71  771.424   331.195 8.6930  329.122 8.7508  2.072388       12.33466 
1 1 1 -5  -1  7  o 130.127 2.7594  2269.05   96.163    2220.76   135.736   2317.71   136.255   128.737 3.9364  131.518 3.8679  -2.781296      5.518727 
1 1 1 -5  -1  8  o 290.365 5.4540  11314.05  424.180   11310.37  599.586   11317.73  600.177   290.318 7.7106  290.412 7.7157  -0.9396362E-01 10.90806 
1 1 1 -5  -1  9  o 414.590 7.6820  23111.71  852.826   22490.66  1206.19   23732.54  1205.97   408.998 11.010  420.182 10.715  -11.18365      15.36394 
1 1 1 -5  -1  10 o 186.051 3.6547  4644.23   181.751   5012.79   257.992   4281.08   256.089   193.392 4.9805  178.710 5.3500  14.68195       7.309461 
1 1 1 -5  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -1  12 o 579.159 10.638  45237.64  1649.51   46913.24  2334.88   43568.12  2330.64   589.938 14.776  568.381 15.309  21.55670       21.27694 
1 1 1 -5  -1  13 o 89.287  2.4505  1130.84   53.266    1241.31   65.248    910.140   92.227    96.265  2.5305  82.309  4.1972  13.95600       4.901063 
1 1 1 -5  -1  14 o 95.131  2.3065  1217.83   58.461    1084.63   83.284    1347.21   82.081    89.978  3.4557  100.284 3.0558  -10.30531      4.612976 
1 1 1 -5  -1  15 o 318.895 5.9969  13650.68  512.140   13376.16  725.052   13924.02  723.502   315.688 8.5748  322.103 8.3860  -6.415527      11.99383 
1 1 1 -5  -1  16 o 248.839 4.8028  8312.88   319.725   7860.53   452.880   8762.37   451.443   242.073 6.9847  255.605 6.5939  -13.53188      9.605520 
1 1 1 -5  -1  17 f 136.567 2.9860  2511.71   108.558   2208.77   154.365   2808.14   152.699   128.374 4.4893  144.760 3.9382  -16.38655      5.971902 
1 1 1 -5  -1  18 o 224.201 4.4315  6763.62   265.120   6103.43   375.656   7418.78   374.220   213.248 6.5768  235.153 5.9414  -21.90529      8.863097 
1 1 1 -5  -1  19 o 160.070 3.2515  3435.72   139.351   3571.12   198.585   3304.36   195.592   163.179 4.5435  156.961 4.6523  6.218430       6.502904 
1 1 1 -5  -1  20 o 209.132 4.0633  5876.77   227.331   6254.17   323.419   5508.21   319.604   215.787 5.5957  202.477 5.8931  13.30943       8.126531 
1 1 1 -5  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -1  22 f 128.386 2.7528  2213.60   94.077    2547.26   135.235   1900.71   130.959   137.782 3.6644  118.989 4.1090  18.79292       5.505645 
1 1 1 -5  -1  23 o 39.894  1.8209  212.576   19.254    244.319   28.579    186.193   26.055    42.616  2.5149  37.173  2.6339  5.443295       3.641702 
1 1 1 -5  -1  24 o 15.504  2.3319  35.887    10.574    5.0954    15.581    62.180    14.397    9.6262  3.8950  21.382  2.5651  -11.75601      4.663798 
1 1 1 -5  -1  25 o 181.760 3.6489  4445.96   177.621   4486.92   253.554   4406.50   248.898   182.578 5.1848  180.943 5.1356  1.635132       7.297714 
1 1 1 -5  -1  26 o 158.069 3.2742  3357.79   138.488   3574.45   198.630   3152.84   193.187   163.039 4.5484  153.100 4.7110  9.939346       6.548442 
1 1 1 -5  -1  27 o 131.828 2.9502  2340.71   103.955   2229.98   149.447   2444.51   144.698   128.783 4.3325  134.874 4.0054  -6.091324      5.900337 
1 1 1 -5  -1  28 o 102.854 2.4916  1419.86   68.558    1444.54   99.785    1397.80   94.355    103.694 3.5927  102.015 3.4531  1.679283       4.983139 
1 1 1 -5  -1  29 o 202.324 4.0053  5532.38   217.012   5673.52   310.339   5397.32   303.576   204.851 5.6560  199.797 5.6727  5.054062       8.010622 
1 1 1 -5  -1  30 o 213.747 6.1648  6295.39   352.899   6408.61   504.171   6186.63   494.130   215.624 8.7296  211.872 8.7072  3.751984       12.32968 
1 1 1 -5  -1  31 o 125.207 2.7904  2108.64   93.374    2314.67   136.106   1925.46   128.338   130.982 3.8795  119.432 4.0118  11.54907       5.580824 
1 1 1 -5  -1  32 o 102.087 2.4935  1399.91   68.014    1525.26   100.316   1293.27   92.529    106.297 3.5234  97.878  3.5294  8.418190       4.987093 
1 1 1 -5  -1  33 o 121.874 2.8430  2016.58   92.613    2010.68   135.272   2021.78   127.061   121.652 4.1514  122.095 3.8853  -0.4434280     5.685946 
1 1 1 -5  -1  34 o 88.153  2.4180  1055.40   56.770    1037.24   84.481    1070.35   76.657    87.398  3.6088  88.907  3.2190  -1.509247      4.835910 
1 1 1 -5  -1  35 o 25.777  2.5044  94.234    16.126    83.074    25.757    101.428   20.680    24.329  4.0982  27.226  2.8795  -2.896852      5.008704 
1 1 1 -5  -1  36 o 22.372  2.6681  66.238    15.006    97.487    24.430    47.303    19.016    26.511  3.5281  18.233  4.0035  8.277727       5.336257 
1 1 1 -5  -1  37 o 56.308  2.2137  431.196   32.808    446.098   51.076    420.728   42.807    57.050  3.3573  55.566  2.8861  1.484169       4.427310 
1 1 1 -5  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -1  39 o 16.504  3.0133  43.476    14.348    16.445    24.496    57.591    17.702    12.824  4.9795  20.183  3.3949  -7.359385      6.026659 
1 1 1 -5  -1  40 o 17.641  3.2164  49.258    15.828    27.607    26.245    61.634    19.842    14.559  5.2544  20.722  3.7112  -6.163432      6.432879 
1 1 1 -5  -1  41 o 8.7677  2.7375  -1.6843   11.500    -6.5445   22.125    0.1145    13.460    9.4750  4.2404  8.0604  3.4634  1.414689       5.475060 
1 1 1 -5  -1  42 o 10.316  3.0317  3.9522    13.066    15.629    23.192    -1.4778   15.815    12.194  4.8125  8.4375  3.6885  3.756603       6.063411 
1 1 1 -5  -1  43 o 16.401  3.4637  33.570    15.607    67.601    29.711    20.601    18.341    20.505  5.3525  12.297  4.3977  8.207453       6.927392 
1 1 1 -5  -1  44 o 31.361  3.2154  157.603   23.491    127.426   40.621    172.766   28.794    27.953  5.6204  34.769  3.1252  -6.816879      6.430872 
1 1 1 -5  -1  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  -1  46 o 13.483  3.5564  18.890    15.919    49.918    31.238    8.0046    18.502    16.921  5.7596  10.045  4.1735  6.876105       7.112766 
1 1 1 -5  -1  47 o 16.725  3.7232  50.559    18.018    44.872    35.252    52.570    20.963    15.617  5.9981  17.832  4.4128  -2.215053      7.446463 
1 1 1 -5  0   1  f 273.787 6.1825  10011.42  428.411   10252.64  742.767   9891.17   524.433   276.105 10.044  271.470 7.2124  4.634430       12.36498 
1 1 1 -5  0   2  o 266.668 5.0202  9547.41   358.307   9992.93   507.419   9104.33   506.028   272.888 6.9422  260.448 7.2538  12.43924       10.04046 
1 1 1 -5  0   3  o 380.403 7.0570  19460.36  718.933   19844.16  1016.82   19076.72  1016.62   384.169 9.8818  376.637 10.077  7.531738       14.11393 
1 1 1 -5  0   4  o 803.537 14.947  88192.64  3205.03   79423.71  4525.64   97015.73  4539.60   762.690 22.154  844.384 20.072  -81.69379      29.89417 
1 1 1 -5  0   5  o 307.665 5.7792  12716.73  475.839   12109.17  672.963   13324.20  672.912   300.293 8.3668  315.037 7.9746  -14.74423      11.55841 
1 1 1 -5  0   6  o 61.209  1.7871  501.984   29.222    551.394   41.783    454.678   40.883    64.159  2.4314  58.260  2.6199  5.898907       3.574297 
1 1 1 -5  0   7  o 295.581 5.5297  11728.21  437.607   12143.83  619.810   11315.10  617.932   300.814 7.6926  290.348 7.9457  10.46570       11.05940 
1 1 1 -5  0   8  o 76.146  1.9747  776.873   40.185    846.288   57.395    710.128   56.281    79.483  2.6959  72.808  2.8860  6.675613       3.949312 
1 1 1 -5  0   9  o 64.367  1.9170  563.908   31.907    741.966   45.827    396.379   44.451    74.426  2.2988  54.308  3.0684  20.11771       3.833997 
1 1 1 -5  0   10 o 330.595 6.1661  14672.57  545.950   14929.23  773.029   14417.16  771.154   333.486 8.6543  327.705 8.7856  5.780945       12.33217 
1 1 1 -5  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  0   12 o 588.635 10.795  46724.70  1702.03   46379.86  2406.53   47069.83  2407.54   586.448 15.321  590.822 15.213  -4.374451      21.59090 
1 1 1 -5  0   13 o 447.261 8.2498  26896.93  988.243   27259.66  1397.66   26534.28  1397.52   450.288 11.588  444.233 11.745  6.054871       16.49960 
1 1 1 -5  0   14 o 378.300 6.9225  19219.57  701.428   19347.49  991.889   19091.60  992.048   379.563 9.7564  377.037 9.8233  2.525482       13.84506 
1 1 1 -5  0   15 o 341.957 6.3683  15699.48  583.284   15746.52  824.718   15652.40  825.059   342.471 8.9907  341.443 9.0215  1.027863       12.73654 
1 1 1 -5  0   16 o 292.290 5.5837  11466.62  437.126   11575.79  618.094   11357.37  618.284   293.685 7.8575  290.895 7.9353  2.790131       11.16731 
1 1 1 -5  0   17 f 348.180 6.5574  16294.77  611.506   16488.13  864.777   16101.39  864.822   350.254 9.2179  346.107 9.3288  4.147003       13.11476 
1 1 1 -5  0   18 o 180.539 3.6197  4371.91   175.019   4440.43   247.373   4303.24   247.656   181.957 5.0757  179.120 5.1620  2.837311       7.239362 
1 1 1 -5  0   19 o 133.915 2.8473  2404.75   102.117   2354.31   144.140   2455.57   144.693   132.503 4.0613  135.326 3.9919  -2.822617      5.694690 
1 1 1 -5  0   20 o 310.766 6.0275  13032.88  501.573   13398.44  709.411   12667.48  709.252   315.157 8.4039  306.376 8.6429  8.780945       12.05508 
1 1 1 -5  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  0   22 o 139.138 2.9287  2599.38   109.145   2616.85   154.156   2581.83   154.553   139.608 4.1225  138.667 4.1611  0.9406281      5.857490 
1 1 1 -5  0   23 o 112.731 3.1101  1689.11   88.273    1760.79   155.299   1654.90   107.290   114.420 5.0673  111.042 3.6073  3.377510       6.220169 
1 1 1 -5  0   24 o 71.469  2.0986  686.998   40.040    657.238   58.262    713.633   55.119    69.993  3.1077  72.945  2.8211  -2.952278      4.197218 
1 1 1 -5  0   25 o 71.840  2.2140  703.022   41.904    592.182   60.943    802.420   57.712    66.333  3.4419  77.348  2.7857  -11.01544      4.427965 
1 1 1 -5  0   26 o 17.337  2.7282  35.744    13.810    80.356    22.092    7.1273    17.694    24.216  3.5081  10.459  4.1792  13.75689       5.456457 
1 1 1 -5  0   27 o 174.012 3.5272  4075.03   164.340   4221.21   235.570   3936.43   229.379   177.054 4.9673  170.970 5.0089  6.084534       7.054345 
1 1 1 -5  0   28 o 85.764  2.3084  988.708   52.875    975.463   77.508    1000.24   72.315    85.217  3.3957  86.312  3.1280  -1.094902      4.616877 
1 1 1 -5  0   29 o 104.676 2.6091  1484.10   72.640    1343.46   105.605   1610.40   100.076   99.903  3.9466  109.449 3.4137  -9.545525      5.218125 
1 1 1 -5  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  0   31 o 67.340  2.2194  616.773   39.485    568.405   59.076    655.824   53.082    64.854  3.4129  69.825  2.8382  -4.971336      4.438833 
1 1 1 -5  0   32 o 42.284  2.2768  255.171   24.176    182.919   36.685    310.642   32.144    36.579  3.7997  47.989  2.5094  -11.41047      4.553568 
1 1 1 -5  0   33 o 33.812  2.2374  159.541   19.334    138.644   30.216    174.028   25.159    31.786  3.6132  35.837  2.6396  -4.050711      4.474704 
1 1 1 -5  0   34 o 27.175  2.3679  95.052    15.896    152.006   26.090    61.431    20.046    33.396  2.9469  20.954  3.7073  12.44227       4.735880 
1 1 1 -5  0   35 o 49.396  2.1147  327.126   27.549    364.762   42.932    300.780   35.920    51.753  3.1116  47.040  2.8645  4.712795       4.229339 
1 1 1 -5  0   36 o 43.660  2.3241  268.536   25.954    227.344   40.589    297.028   33.757    40.575  3.7782  46.744  2.7077  -6.168949      4.648263 
1 1 1 -5  0   37 o 21.043  2.7945  61.142    14.733    70.040    24.530    56.122    18.427    22.140  4.2915  19.947  3.5806  2.193192       5.589096 
1 1 1 -5  0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  0   39 o 20.203  3.0631  60.684    15.543    54.426    25.961    64.180    19.405    19.140  5.0066  21.266  3.5306  -2.125576      6.126300 
1 1 1 -5  0   40 o 10.565  3.0538  0.3753    12.881    22.608    24.584    -8.0376   15.123    13.589  5.0549  7.5411  3.4279  6.047460       6.107589 
1 1 1 -5  0   41 o 21.120  3.2380  67.157    16.958    66.232    29.474    67.615    20.733    20.655  5.3010  21.586  3.7202  -0.9316864     6.476100 
1 1 1 -5  0   42 o 23.414  3.3019  92.310    18.609    60.050    32.527    108.006   22.688    19.261  5.8160  27.568  3.1280  -8.307102      6.603808 
1 1 1 -5  0   43 o 25.454  3.2276  98.947    19.769    99.018    34.967    98.914    23.967    24.833  5.4100  26.075  3.5218  -1.241632      6.455292 
1 1 1 -5  0   44 o 23.919  3.3495  85.314    19.513    101.957   35.006    77.812    23.502    25.094  5.3704  22.743  4.0043  2.350513       6.698946 
1 1 1 -5  0   45 o 20.076  3.6629  73.918    19.937    43.680    38.521    84.981    23.301    16.362  6.2734  23.790  3.7833  -7.428333      7.325856 
1 1 1 -5  0   46 o 11.978  3.4079  17.849    15.268    11.311    32.449    19.708    17.303    12.250  5.3205  11.706  4.2600  0.5445795      6.815753 
1 1 1 -5  1   1  o 297.669 7.8664  11897.59  627.188   0.0000    0.0000    11897.59  627.188   ?       ?       297.669 7.8664  ?              ?        
1 1 1 -5  1   2  o 595.648 13.432  48048.20  2022.36   48778.43  3503.58   47683.32  2476.61   597.586 21.889  593.710 15.574  3.875610       26.86380 
1 1 1 -5  1   3  o 491.686 9.0008  32591.86  1185.31   33006.02  1676.38   32177.79  1676.18   494.830 12.648  488.541 12.809  6.288574       18.00162 
1 1 1 -5  1   4  o 305.362 5.6625  12519.76  463.134   12608.40  654.766   12431.02  655.173   306.447 7.9770  304.278 8.0389  2.169189       11.32507 
1 1 1 -5  1   5  o 214.598 4.1172  6175.46   236.654   6148.96   334.385   6202.05   334.974   214.136 5.8300  215.059 5.8152  -0.9231720     8.234389 
1 1 1 -5  1   6  o 55.881  1.7243  418.502   25.795    431.452   36.330    405.336   36.631    56.753  2.3899  55.008  2.4861  1.744949       3.448554 
1 1 1 -5  1   7  o 233.145 4.4883  7289.96   280.270   7202.56   396.032   7377.65   396.691   231.744 6.3802  234.547 6.3144  -2.803345      8.976563 
1 1 1 -5  1   8  o 96.707  2.2271  1252.90   57.688    1251.82   81.379    1253.98   81.790    96.666  3.1430  96.748  3.1562  -0.8287048E-01 4.454261 
1 1 1 -5  1   9  o 731.118 13.379  72426.02  2618.95   74714.24  3705.30   70141.60  3702.22   742.790 18.624  719.446 19.212  23.34320       26.75726 
1 1 1 -5  1   10 o 508.043 13.251  34950.13  1802.55   33840.59  2545.00   36067.00  2553.40   499.872 19.008  516.214 18.467  -16.34290      26.50178 
1 1 1 -5  1   11 o 348.802 6.4772  16336.12  605.046   15993.70  855.086   16679.48  856.244   345.132 9.2499  352.471 9.0695  -7.339172      12.95439 
1 1 1 -5  1   12 o 364.506 6.7640  17841.54  660.377   17760.64  933.528   17922.58  934.300   363.677 9.5835  365.335 9.5479  -1.657837      13.52792 
1 1 1 -5  1   13 o 56.056  1.7856  420.900   26.795    402.507   37.684    439.709   38.108    54.817  2.5666  57.295  2.4832  -2.477657      3.571216 
1 1 1 -5  1   14 o 510.665 9.3936  35106.66  1284.85   35295.40  1816.88   34917.84  1817.21   512.046 13.247  509.285 13.322  2.760803       18.78715 
1 1 1 -5  1   15 o 95.494  2.2303  1221.68   57.033    1188.38   80.417    1255.38   80.899    94.184  3.1877  96.803  3.1201  -2.619240      4.460529 
1 1 1 -5  1   16 o 294.999 5.5444  11681.55  438.078   11761.76  619.273   11601.20  619.799   296.015 7.8105  293.982 7.8712  2.032684       11.08872 
1 1 1 -5  1   17 o 349.273 6.4815  16404.47  606.215   15970.48  856.635   16839.85  858.001   344.628 9.2802  353.919 9.0510  -9.290649      12.96309 
1 1 1 -5  1   18 o 160.308 3.2308  3446.77   138.675   3331.70   195.689   3562.85   196.545   157.617 4.6353  162.999 4.5018  -5.382553      6.461593 
1 1 1 -5  1   19 o 112.596 2.4531  1699.61   73.978    1676.64   104.317   1722.85   104.926   111.830 3.4826  113.362 3.4556  -1.531395      4.906135 
1 1 1 -5  1   20 o 256.865 4.9678  8885.88   341.788   8864.53   483.070   8907.29   483.653   256.555 7.0298  257.174 7.0213  -0.6198120     9.935600 
1 1 1 -5  1   21 o 209.031 4.0796  5880.15   228.320   6069.53   322.743   5690.42   323.043   212.417 5.6726  205.644 5.8648  6.772079       8.159290 
1 1 1 -5  1   22 o 29.795  1.7997  120.063   14.200    124.736   19.802    115.117   20.373    30.406  2.4523  29.184  2.6347  1.221889       3.599368 
1 1 1 -5  1   23 o 171.864 3.4968  3973.78   160.892   4113.35   227.400   3833.87   227.670   174.900 4.8541  168.828 5.0347  6.072113       6.993615 
1 1 1 -5  1   24 o 146.924 3.1087  2901.43   122.311   2825.57   172.582   2977.97   173.368   144.989 4.4440  148.859 4.3482  -3.870178      6.217350 
1 1 1 -5  1   25 f 120.760 2.6694  1958.36   86.328    1910.24   121.672   2007.14   122.504   119.263 3.8089  122.257 3.7410  -2.993591      5.338784 
1 1 1 -5  1   26 o 186.272 3.6636  4672.79   182.778   4724.67   258.304   4620.77   258.671   187.314 5.1484  185.230 5.2137  2.083832       7.327244 
1 1 1 -5  1   27 o 167.123 3.3858  3760.65   151.562   3746.71   214.075   3774.66   214.608   166.812 4.7913  167.434 4.7853  -0.6220856     6.771680 
1 1 1 -5  1   28 o 129.725 2.8360  2264.47   98.520    2317.44   139.240   2211.37   139.416   131.252 3.9607  128.199 4.0601  3.053391       5.672005 
1 1 1 -5  1   29 o 87.451  2.2218  1027.89   52.043    1019.10   73.384    1036.79   73.817    87.075  3.1464  87.828  3.1379  -0.7531738     4.443686 
1 1 1 -5  1   30 o 69.546  2.0642  650.406   38.446    654.574   54.049    646.137   54.698    69.775  2.8920  69.318  2.9460  0.4562378      4.128305 
1 1 1 -5  1   31 o 68.732  2.5590  620.404   43.682    688.958   79.476    590.732   52.288    71.225  4.1844  66.239  2.9471  4.985565       5.118057 
1 1 1 -5  1   32 o 27.267  2.3090  100.721   16.193    107.182   25.915    96.583    20.741    27.933  3.5434  26.600  2.9613  1.332989       4.617942 
1 1 1 -5  1   33 o 8.8280  2.5785  2.8477    9.5555    5.4120    15.956    1.4138    11.932    9.7076  3.9369  7.9485  3.3310  1.759019       5.156999 
1 1 1 -5  1   34 o 45.514  2.0797  275.777   24.933    322.659   38.978    243.310   32.437    48.720  3.0015  42.309  2.8795  6.411129       4.159381 
1 1 1 -5  1   35 o 24.781  2.4776  80.868    15.555    108.001   25.747    65.273    19.520    27.937  3.5189  21.626  3.4887  6.311543       4.955100 
1 1 1 -5  1   36 o 58.165  2.2136  457.100   33.967    493.290   52.899    431.711   44.307    60.046  3.3018  56.284  2.9493  3.761749       4.427175 
1 1 1 -5  1   37 f 43.053  4.7167  262.185   53.501    0.0000    0.0000    262.185   53.501    ?       ?       43.053  4.7167  ?              ?        
1 1 1 -5  1   38 o 7.8662  2.5367  -9.7292   10.691    -3.1572   19.710    -12.4690  12.726    9.3827  4.1093  6.3497  2.9755  3.033031       5.073474 
1 1 1 -5  1   39 o 11.415  3.1657  12.652    13.641    6.4116    24.450    15.472    16.436    11.454  4.7815  11.376  4.1501  0.7798672E-01  6.331354 
1 1 1 -5  1   40 o 37.713  2.5357  199.984   24.281    205.699   40.514    196.781   30.331    37.854  4.0592  37.571  3.0401  0.2828369      5.071388 
1 1 1 -5  1   41 o 18.569  3.3449  52.152    15.928    53.624    28.179    51.460    19.308    18.513  5.3692  18.625  3.9905  -0.1121140     6.689748 
1 1 1 -5  1   42 o 17.819  3.3522  41.478    15.607    75.812    29.006    27.487    18.516    21.992  5.0331  13.647  4.4290  8.344745       6.704360 
1 1 1 -5  1   43 o 29.467  2.9961  120.129   21.787    165.471   39.179    99.830    26.215    32.981  4.5568  25.952  3.8911  7.028875       5.992134 
1 1 1 -5  1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  1   45 o 36.384  3.2758  213.508   27.954    187.992   49.020    225.804   34.030    33.384  5.6858  39.384  3.2550  -6.000473      6.551649 
1 1 1 -5  1   46 o 11.039  3.3972  6.3844    16.335    18.335    33.100    2.5364    18.782    12.806  5.4648  9.2713  4.0372  3.534594       6.794332 
1 1 1 -5  2   1  o 99.213  2.7663  1322.03   69.391    1310.13   119.615   1328.07   85.190    98.865  4.5170  99.561  3.1946  -0.6957932     5.532544 
1 1 1 -5  2   2  o 268.326 5.0768  9662.86   364.872   9612.50   515.908   9713.25   516.106   267.625 7.1971  269.026 7.1623  -1.401581      10.15367 
1 1 1 -5  2   3  f 362.504 6.7168  17662.51  652.163   17754.11  922.219   17570.87  922.377   363.448 9.4733  361.560 9.5244  1.887421       13.43350 
1 1 1 -5  2   4  o 267.555 5.0597  9606.07   362.594   9650.51   512.661   9561.59   512.911   268.175 7.1371  266.934 7.1738  1.240967       10.11936 
1 1 1 -5  2   5  o 144.830 2.9965  2811.02   116.240   2811.85   164.227   2810.20   164.549   144.852 4.2329  144.809 4.2424  0.4287720E-01  5.992922 
1 1 1 -5  2   6  o 63.645  1.8202  542.959   31.004    565.996   43.750    519.717   43.944    65.002  2.5128  62.288  2.6340  2.714813       3.640331 
1 1 1 -5  2   7  o 205.637 3.9745  5669.36   218.907   5716.78   309.422   5621.84   309.742   206.499 5.5943  204.775 5.6472  1.723907       7.949021 
1 1 1 -5  2   8  o 324.335 6.0604  14122.09  526.435   13893.01  744.111   14351.63  744.872   321.696 8.6358  326.974 8.5051  -5.278351      12.12081 
1 1 1 -5  2   9  o 390.365 7.1878  20475.43  751.488   20161.47  1062.29   20789.96  1063.24   387.360 10.239  393.370 10.091  -6.009766      14.37568 
1 1 1 -5  2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  2   11 o 289.209 5.4570  11222.07  422.678   11021.73  597.365   11422.92  598.149   286.620 7.7812  291.798 7.6531  -5.178375      10.91405 
1 1 1 -5  2   12 o 90.521  2.2142  1097.82   53.664    1057.62   75.657    1138.54   76.130    88.853  3.1790  92.190  3.0831  -3.337189      4.428443 
1 1 1 -5  2   13 o 607.375 11.232  49767.80  1827.20   49126.02  2583.38   50410.27  2584.74   603.429 15.984  611.321 15.785  -7.891785      22.46452 
1 1 1 -5  2   14 o 490.852 9.0657  32429.61  1191.90   32297.66  1685.29   32561.66  1685.92   489.848 12.845  491.855 12.797  -2.007080      18.13150 
1 1 1 -5  2   15 o 219.613 4.2378  6467.45   249.254   6348.92   352.176   6586.41   352.822   217.594 6.0426  221.631 5.9434  -4.037033      8.475681 
1 1 1 -5  2   16 o 152.022 3.1622  3097.73   128.756   3120.14   181.915   3075.24   182.262   152.573 4.4514  151.470 4.4924  1.103119       6.324335 
1 1 1 -5  2   17 o 283.221 5.3107  10776.44  402.872   10732.61  569.480   10820.36  570.015   282.643 7.5223  283.799 7.4987  -1.155884      10.62147 
1 1 1 -5  2   18 o 109.901 2.4330  1619.04   71.618    1618.03   101.115   1620.05   101.453   109.867 3.4360  109.936 3.4454  -0.6835938E-01 4.865905 
1 1 1 -5  2   19 o 78.652  2.0334  829.163   42.832    813.184   60.412    845.313   60.736    77.890  2.8957  79.414  2.8554  -1.524750      4.066712 
1 1 1 -5  2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  2   21 o 100.425 2.3222  1352.76   62.461    1338.53   88.127    1367.12   88.541    99.894  3.2937  100.956 3.2744  -1.062073      4.644332 
1 1 1 -5  2   22 o 91.408  2.2610  1120.99   55.350    1136.24   78.113    1105.61   78.442    92.034  3.1687  90.782  3.2260  1.251633       4.521912 
1 1 1 -5  2   23 o 120.266 2.6620  1942.30   85.734    1983.97   121.058   1900.38   121.436   121.564 3.7179  118.968 3.8109  2.595978       5.324091 
1 1 1 -5  2   24 o 38.899  1.8994  203.945   19.651    193.702   27.694    214.332   27.887    37.905  2.7464  39.893  2.6245  -1.987965      3.798774 
1 1 1 -5  2   25 o 210.557 4.1056  5977.71   231.502   6109.15   327.261   5846.06   327.525   212.890 5.7392  208.224 5.8725  4.666016       8.211256 
1 1 1 -5  2   26 o 142.026 3.0025  2712.47   114.196   2770.96   161.344   2653.76   161.651   143.567 4.1958  140.485 4.2960  3.081924       6.004965 
1 1 1 -5  2   27 f 98.905  2.3756  1313.82   62.934    1306.94   88.692    1320.80   89.315    98.645  3.3568  99.166  3.3626  -0.5210953     4.751299 
1 1 1 -5  2   28 o 54.987  1.9361  406.655   28.448    418.474   40.008    394.569   40.459    55.835  2.6752  54.139  2.7996  1.695999       3.872267 
1 1 1 -5  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  2   30 o 143.016 3.0387  2766.23   116.398   2735.05   164.356   2797.61   164.868   142.202 4.3151  143.830 4.2795  -1.628738      6.077377 
1 1 1 -5  2   31 o 74.288  2.1242  743.771   42.264    745.998   59.516    741.505   60.029    74.403  2.9864  74.174  3.0215  0.2298431      4.248316 
1 1 1 -5  2   32 o 62.174  2.0317  521.808   33.816    538.888   47.690    504.534   47.958    63.207  2.8169  61.142  2.9284  2.065502       4.063349 
1 1 1 -5  2   33 o 36.147  1.9274  177.490   18.512    179.360   25.822    175.513   26.552    36.354  2.6706  35.939  2.7799  0.4141769      3.854833 
1 1 1 -5  2   34 o 7.8379  2.3388  0.9284    8.3944    1.7566    11.341    -0.0753   12.484    7.8101  3.2581  7.8656  3.3563  -0.5558443E-01 4.677657 
1 1 1 -5  2   35 o 43.584  2.7611  271.671   28.147    241.251   52.249    284.109   33.409    41.457  4.7937  45.711  2.7414  -4.253609      5.522233 
1 1 1 -5  2   36 o 41.246  2.3382  238.327   24.759    213.464   39.056    255.034   32.015    39.247  3.7614  43.245  2.7786  -3.997524      4.676394 
1 1 1 -5  2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  2   38 o 59.441  2.3649  489.658   36.741    482.994   57.908    494.148   47.533    58.857  3.6920  60.025  2.9565  -1.168571      4.729844 
1 1 1 -5  2   39 o 20.207  3.3346  59.367    17.032    65.828    29.198    56.035    20.970    20.841  5.2369  19.573  4.1297  1.267632       6.669281 
1 1 1 -5  2   40 o 40.868  2.4483  229.735   25.696    261.996   43.041    211.867   32.031    42.837  3.7904  38.899  3.1000  3.937561       4.896648 
1 1 1 -5  2   41 o 19.753  3.3893  61.015    16.966    56.240    30.195    63.218    20.510    18.789  5.5880  20.717  3.8373  -1.928713      6.778687 
1 1 1 -5  2   42 o 15.501  3.5780  32.166    15.974    52.709    29.701    23.805    18.947    18.064  5.5779  12.937  4.4827  5.126181       7.155944 
1 1 1 -5  2   43 f 7.2691  2.4796  -20.2948  12.669    -36.8539  25.682    -14.9694  14.565    7.9473  3.8566  6.5909  3.1176  1.356335       4.959102 
1 1 1 -5  2   44 o 26.297  3.2432  95.610    20.676    149.378   38.340    73.560    24.552    30.826  4.7998  21.767  4.3631  9.058329       6.486495 
1 1 1 -5  2   45 o 21.180  3.7625  71.271    19.844    93.027    36.938    62.446    23.527    22.718  5.9864  19.642  4.5596  3.075768       7.525071 
1 1 1 -5  3   1  o 299.580 5.6007  12051.05  449.361   12267.41  635.794   11835.11  635.191   302.273 7.8528  296.887 7.9878  5.386719       11.20140 
1 1 1 -5  3   2  o 271.929 5.1104  9923.67   372.219   9915.03   526.396   9932.31   526.398   271.810 7.2303  272.047 7.2240  -0.2373657     10.22079 
1 1 1 -5  3   3  o 237.719 4.5511  7580.85   289.740   7731.18   409.861   7430.69   409.647   240.078 6.3737  235.359 6.4982  4.719070       9.102239 
1 1 1 -5  3   4  o 309.328 5.7681  12846.02  477.902   12826.90  675.795   12865.15  675.915   309.097 8.1626  309.559 8.1519  -0.4616089     11.53614 
1 1 1 -5  3   5  o 243.797 4.6301  7973.54   302.260   7745.79   427.233   8201.76   427.687   240.306 6.6376  247.288 6.4570  -6.982330      9.260208 
1 1 1 -5  3   6  o 138.704 2.8922  2578.47   107.423   2647.04   151.908   2509.88   151.930   140.550 4.0352  136.858 4.1446  3.691849       5.784495 
1 1 1 -5  3   7  o 138.957 2.8767  2587.59   107.050   2525.53   151.249   2649.90   151.534   137.286 4.1132  140.628 4.0230  -3.341431      5.753494 
1 1 1 -5  3   8  o 517.564 9.5467  36083.16  1323.41   35782.51  1871.25   36384.02  1871.93   515.395 13.555  519.733 13.447  -4.337830      19.09339 
1 1 1 -5  3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  3   10 o 187.449 3.6699  4709.58   184.255   4737.86   260.428   4681.23   260.723   188.013 5.1714  186.885 5.2085  1.128250       7.339785 
1 1 1 -5  3   11 o 302.173 5.7030  12251.50  461.582   12280.06  652.616   12222.92  652.937   302.526 8.0539  301.819 8.0767  0.7063599      11.40608 
1 1 1 -5  3   12 o 428.559 7.8950  24688.48  906.019   24022.69  1280.55   25355.85  1282.06   422.753 11.309  434.366 11.020  -11.61224      15.78994 
1 1 1 -5  3   13 o 450.316 8.3288  27272.78  1004.43   27832.95  1420.70   26712.97  1420.25   454.958 11.659  445.673 11.898  9.284851       16.65755 
1 1 1 -5  3   14 o 331.179 6.2285  14726.32  552.494   14611.91  781.052   14840.90  781.636   329.889 8.8394  332.470 8.7774  -2.580811      12.45700 
1 1 1 -5  3   15 o 410.872 7.6111  22716.90  837.144   21819.93  1182.96   23616.71  1184.84   402.710 10.967  419.034 10.557  -16.32379      15.22222 
1 1 1 -5  3   16 o 173.502 3.4741  4037.17   161.405   4143.67   228.165   3930.49   228.357   175.796 4.8456  171.209 4.9797  4.587570       6.948178 
1 1 1 -5  3   17 o 185.558 3.6300  4620.68   180.348   4764.37   255.003   4476.89   255.097   188.451 5.0519  182.666 5.2138  5.784180       7.259910 
1 1 1 -5  3   18 o 113.421 2.5577  1724.89   77.700    1711.78   109.657   1738.10   110.113   112.988 3.6234  113.854 3.6108  -0.8658905     5.115340 
1 1 1 -5  3   19 o 45.742  3.7736  282.582   45.821    0.0000    0.0000    282.582   45.821    ?       ?       45.742  3.7736  ?              ?        
1 1 1 -5  3   20 o 220.744 4.2873  6560.01   253.434   6392.99   358.027   6727.74   358.795   217.914 6.1340  223.574 5.9915  -5.659210      8.574592 
1 1 1 -5  3   21 o 145.336 3.0230  2837.12   117.671   2873.50   166.238   2800.59   166.587   146.273 4.2431  144.399 4.3071  1.873840       6.046067 
1 1 1 -5  3   22 o 33.171  1.8528  148.885   16.243    165.670   23.002    132.187   22.942    35.067  2.4645  31.274  2.7673  3.792677       3.705662 
1 1 1 -5  3   23 o 116.504 2.5944  1822.40   80.954    1839.37   114.213   1805.26   114.762   117.052 3.6429  115.957 3.6950  1.094658       5.188811 
1 1 1 -5  3   24 o 184.870 3.6933  4601.03   182.881   4602.77   258.424   4599.28   258.842   184.906 5.2178  184.834 5.2283  0.7205200E-01  7.386567 
1 1 1 -5  3   25 o 85.335  2.2365  977.545   51.103    1003.64   72.106    951.210   72.435    86.482  3.1128  84.188  3.2122  2.294708       4.473067 
1 1 1 -5  3   26 o 285.866 5.4730  11099.66  418.992   10855.77  592.061   11344.34  593.027   282.679 7.8196  289.053 7.6596  -6.374268      10.94604 
1 1 1 -5  3   27 o 83.863  2.1795  944.387   48.953    927.337   68.924    961.743   69.539    83.098  3.0966  84.628  3.0678  -1.529671      4.358956 
1 1 1 -5  3   28 o 42.990  2.3415  260.948   25.236    210.807   40.599    292.521   32.216    39.374  3.9009  46.606  2.5909  -7.231983      4.682959 
1 1 1 -5  3   29 o 103.900 2.5018  1454.64   69.607    1484.58   98.177    1424.39   98.704    104.983 3.4914  102.817 3.5841  2.166245       5.003576 
1 1 1 -5  3   30 o 85.841  2.2481  993.152   51.681    1007.20   72.822    978.902   73.357    86.459  3.1446  85.224  3.2136  1.234451       4.496177 
1 1 1 -5  3   31 o 49.439  1.9677  330.511   25.942    336.518   36.457    324.349   36.924    49.903  2.7380  48.975  2.8267  0.9279404      3.935351 
1 1 1 -5  3   32 o 74.650  2.1419  753.448   42.819    765.155   60.342    741.575   60.770    75.242  2.9941  74.058  3.0636  1.184250       4.283720 
1 1 1 -5  3   33 o 35.679  1.9378  173.136   18.369    176.718   25.805    169.456   26.155    36.065  2.6906  35.293  2.7895  0.7719955      3.875669 
1 1 1 -5  3   34 o 22.356  2.3392  70.356    13.370    80.064    18.378    59.441    19.486    24.137  2.9007  20.575  3.6705  3.561499       4.678306 
1 1 1 -5  3   35 o 18.576  2.5618  48.350    12.258    39.195    16.640    59.211    18.126    16.584  3.8243  20.568  3.4096  -3.983835      5.123521 
1 1 1 -5  3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  3   37 o 42.789  2.0631  251.646   23.484    259.428   32.946    243.609   33.483    43.491  2.8439  42.087  2.9897  1.404613       4.126253 
1 1 1 -5  3   38 o 34.259  2.1352  162.542   19.378    154.532   27.006    171.044   27.823    33.370  3.0553  35.148  2.9835  -1.778042      4.270399 
1 1 1 -5  3   39 o 17.509  3.4482  44.745    16.021    50.385    28.085    42.024    19.506    18.191  5.3845  16.828  4.3090  1.362761       6.896404 
1 1 1 -5  3   40 f 13.147  3.1709  24.587    14.186    6.4241    24.926    33.289    17.253    11.349  4.7882  14.944  4.1582  -3.595428      6.341711 
1 1 1 -5  3   41 o 37.027  2.7233  198.683   25.116    201.456   42.992    197.247   30.946    36.731  4.4614  37.323  3.1243  -0.5919495     5.446525 
1 1 1 -5  3   42 o 12.969  3.4533  17.347    14.743    36.504    29.083    10.721    17.104    15.527  5.5393  10.410  4.1251  5.117113       6.906561 
1 1 1 -5  3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  3   44 o 26.391  3.5017  105.078   21.891    131.879   41.489    94.739    25.770    27.841  5.7539  24.940  3.9923  2.900507       7.003320 
1 1 1 -5  3   45 o 12.878  3.5934  16.791    16.274    44.859    32.896    7.6966    18.726    15.832  5.8556  9.9252  4.1668  5.906348       7.186830 
1 1 1 -5  4   1  o 346.561 6.4157  16136.98  595.531   16017.04  842.221   16256.92  842.196   345.269 9.1071  347.853 9.0391  -2.584198      12.83141 
1 1 1 -5  4   2  o 333.108 6.2077  14904.71  553.834   14711.12  783.214   15098.33  783.266   330.939 8.8358  335.278 8.7220  -4.339722      12.41545 
1 1 1 -5  4   3  o 137.414 2.8385  2530.47   104.467   2570.13   147.804   2490.88   147.674   138.491 3.9845  136.338 4.0439  2.153259       5.677094 
1 1 1 -5  4   4  o 58.209  1.7500  453.902   27.280    462.432   38.592    445.381   38.568    58.755  2.4522  57.662  2.4972  1.093620       3.499917 
1 1 1 -5  4   5  o 334.722 6.2457  15044.39  559.961   15063.77  791.888   15025.02  791.920   334.938 8.8269  334.506 8.8387  0.4322205      12.49150 
1 1 1 -5  4   6  o 150.396 3.0862  3031.88   124.274   3130.45   175.785   2933.39   175.715   152.842 4.2939  147.950 4.4341  4.891937       6.172385 
1 1 1 -5  4   7  o 405.917 7.5074  22145.92  816.230   22053.96  1154.18   22237.93  1154.47   405.071 10.638  406.762 10.596  -1.691711      15.01479 
1 1 1 -5  4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  4   9  o 423.618 7.8233  24125.00  887.444   24761.22  1255.45   23489.62  1254.62   429.221 10.920  418.015 11.205  11.20590       15.64652 
1 1 1 -5  4   10 o 389.313 7.1893  20359.44  749.672   20270.84  1060.04   20448.09  1060.36   388.464 10.188  390.163 10.147  -1.699432      14.37858 
1 1 1 -5  4   11 o 598.155 10.965  48247.60  1756.60   47667.16  2483.62   48828.59  2484.80   594.532 15.596  601.779 15.416  -7.247192      21.92923 
1 1 1 -5  4   12 o 366.915 6.7891  18082.91  666.952   17479.93  942.568   18687.55  943.859   360.772 9.7542  373.059 9.4458  -12.28653      13.57822 
1 1 1 -5  4   13 o 348.491 6.5217  16311.17  608.609   16728.61  860.876   15894.07  860.529   352.961 9.1059  344.021 9.3388  8.940216       13.04345 
1 1 1 -5  4   14 o 504.933 9.4283  34368.40  1275.14   34241.15  1803.16   34495.69  1803.47   503.992 13.357  505.874 13.310  -1.881531      18.85669 
1 1 1 -5  4   15 o 110.504 2.5158  1636.54   74.451    1667.03   105.153   1605.90   105.426   111.537 3.5198  109.471 3.5955  2.065521       5.031530 
1 1 1 -5  4   16 o 163.726 3.2846  3595.89   143.954   3443.43   203.204   3749.49   203.962   160.237 4.7346  167.216 4.5539  -6.978348      6.569169 
1 1 1 -5  4   17 o 188.567 3.7048  4774.82   187.018   4955.12   264.425   4594.36   264.543   192.139 5.1381  184.996 5.3388  7.142853       7.409621 
1 1 1 -5  4   18 o 357.500 6.6973  17285.43  641.239   17576.48  906.837   16994.35  906.862   360.540 9.3905  354.460 9.5518  6.079498       13.39468 
1 1 1 -5  4   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  4   20 o 66.047  1.9424  585.318   34.330    611.938   48.417    558.404   48.684    67.560  2.6756  64.533  2.8165  3.026596       3.884791 
1 1 1 -5  4   21 o 83.065  2.1658  926.728   48.098    988.906   67.914    864.156   68.128    85.868  2.9528  80.261  3.1691  5.607498       4.331544 
1 1 1 -5  4   22 o 114.841 2.5702  1770.52   79.037    1714.96   111.439   1826.76   112.115   113.024 3.6811  116.657 3.5881  -3.632698      5.140491 
1 1 1 -5  4   23 o 114.969 2.6076  1775.13   80.276    1818.18   113.307   1731.75   113.749   116.373 3.6351  113.565 3.7395  2.807793       5.215161 
1 1 1 -5  4   24 o 91.773  2.3343  1130.84   57.353    1165.47   80.882    1095.81   81.338    93.190  3.2404  90.355  3.3609  2.834923       4.668544 
1 1 1 -5  4   25 o 125.247 2.7124  2107.85   90.967    2043.70   128.337   2172.64   128.958   123.326 3.8851  127.167 3.7860  -3.841476      5.424794 
1 1 1 -5  4   26 o 133.499 2.9365  2397.60   105.000   2386.34   148.215   2408.94   148.771   133.184 4.1548  133.813 4.1508  -0.6297455     5.872942 
1 1 1 -5  4   27 o 43.459  1.9134  254.380   22.150    243.344   30.931    265.996   31.735    42.486  2.7326  44.433  2.6790  -1.946621      3.826767 
1 1 1 -5  4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  4   29 o 11.268  2.6427  16.047    9.3561    13.042    12.975    19.302    13.504    10.513  3.7053  12.023  3.7692  -1.510042      5.285444 
1 1 1 -5  4   30 o 28.772  2.0360  113.502   15.185    138.107   21.672    89.772    21.283    31.937  2.5548  25.607  3.1708  6.330011       4.072027 
1 1 1 -5  4   31 f 35.465  1.9413  170.516   18.274    159.486   25.524    182.115   26.175    34.272  2.8051  36.657  2.6845  -2.385235      3.882639 
1 1 1 -5  4   32 o 43.355  1.9640  256.038   22.553    285.151   31.774    226.483   32.015    45.894  2.5955  40.817  2.9482  5.077389       3.927899 
1 1 1 -5  4   33 o 45.871  1.9625  285.822   23.990    288.882   33.580    282.633   34.285    46.133  2.7297  45.609  2.8203  0.5240364      3.925015 
1 1 1 -5  4   34 o 49.317  1.9884  330.712   26.098    302.482   36.458    360.378   37.374    47.128  2.9023  51.506  2.7187  -4.378254      3.976797 
1 1 1 -5  4   35 f 25.369  2.3009  89.628    15.156    100.266   21.355    78.832    21.514    26.977  3.0066  23.761  3.4839  3.216822       4.601820 
1 1 1 -5  4   36 o 68.647  2.5902  656.702   45.180    670.128   56.322    632.469   75.668    70.028  3.0027  67.265  4.2213  2.763466       5.180312 
1 1 1 -5  4   37 o 28.401  2.2702  112.891   16.524    85.476    22.869    142.839   23.902    24.604  3.5747  32.197  2.7994  -7.593239      4.540411 
1 1 1 -5  4   38 o 52.943  2.1215  388.104   29.948    395.983   42.039    379.987   42.672    53.522  2.9438  52.364  3.0557  1.158321       4.243043 
1 1 1 -5  4   39 o 21.189  2.6805  66.218    14.479    81.002    20.313    50.950    20.642    23.883  3.2606  18.494  4.2555  5.388510       5.361065 
1 1 1 -5  4   40 o 39.087  2.1497  214.894   22.325    210.411   31.209    219.592   31.948    38.669  3.0377  39.504  3.0427  -0.8357277     4.299450 
1 1 1 -5  4   41 o 39.572  3.2583  234.288   29.045    237.509   57.318    233.176   33.691    38.593  5.7179  40.551  3.1259  -1.957848      6.516550 
1 1 1 -5  4   42 o 16.590  4.6793  43.048    21.694    0.0000    0.0000    43.048    21.694    ?       ?       16.590  4.6793  ?              ?        
1 1 1 -5  4   43 o 13.229  3.5425  23.816    16.139    22.371    30.929    24.356    18.918    13.579  5.4901  12.879  4.4783  0.6996841      7.084953 
1 1 1 -5  4   44 o 15.913  3.7844  43.008    18.339    37.681    35.605    44.931    21.396    15.258  5.9814  16.569  4.6378  -1.311604      7.568743 
1 1 1 -5  5   1  o 251.973 4.7718  8517.37   322.043   8438.86   455.392   8595.91   455.483   250.809 6.7788  253.137 6.7178  -2.326935      9.543652 
1 1 1 -5  5   2  o 202.977 3.9354  5524.84   213.880   5702.83   302.779   5347.58   302.166   206.244 5.4809  199.710 5.6488  6.533890       7.870810 
1 1 1 -5  5   3  o 352.917 6.5448  16729.84  618.665   16750.16  875.042   16709.54  874.807   353.132 9.2513  352.702 9.2601  0.4294739      13.08954 
1 1 1 -5  5   4  o 185.473 3.6212  4611.60   179.859   4721.06   254.485   4502.35   254.233   187.674 5.0625  183.271 5.1790  4.402527       7.242357 
1 1 1 -5  5   5  o 28.480  1.5307  109.282   11.587    111.817   16.407    106.760   16.366    28.813  2.1412  28.147  2.1880  0.6664715      3.061381 
1 1 1 -5  5   6  o 534.130 9.8065  38443.87  1402.86   37865.64  1983.47   39022.65  1984.41   530.087 13.970  538.173 13.766  -8.085693      19.61297 
1 1 1 -5  5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  5   8  o 193.255 3.7776  5006.81   195.495   5134.66   276.508   4879.02   276.437   195.725 5.2744  190.786 5.4095  4.938736       7.555293 
1 1 1 -5  5   9  o 287.455 5.4194  11085.33  417.260   11156.03  590.052   11014.62  590.137   288.374 7.6392  286.537 7.6892  1.836670       10.83887 
1 1 1 -5  5   10 o 569.839 10.475  43761.54  1598.81   43309.40  2260.60   44214.04  2261.50   566.877 14.888  572.802 14.740  -5.925537      20.95080 
1 1 1 -5  5   11 o 338.072 6.3000  15347.99  570.105   14697.76  805.606   16000.29  806.895   330.880 9.0900  345.263 8.7253  -14.38303      12.59991 
1 1 1 -5  5   12 o 121.000 2.5870  1961.75   83.835    1992.66   118.546   1930.82   118.574   121.954 3.6291  120.046 3.6877  1.908157       5.173919 
1 1 1 -5  5   13 o 109.686 2.5229  1612.80   74.062    1688.70   104.789   1537.03   104.689   112.267 3.4848  107.104 3.6493  5.162560       5.045869 
1 1 1 -5  5   14 o 80.904  2.0504  876.934   44.429    862.224   62.735    891.735   62.929    80.223  2.9196  81.585  2.8797  -1.361710      4.100852 
1 1 1 -5  5   15 o 378.276 7.0166  19281.32  710.500   18497.48  1004.01   20067.64  1005.59   370.529 10.116  386.023 9.7257  -15.49344      14.03318 
1 1 1 -5  5   16 o 237.282 4.5852  7566.04   291.377   7703.11   412.022   7428.90   412.117   239.439 6.4245  235.124 6.5439  4.314575       9.170375 
1 1 1 -5  5   17 o 176.335 3.5024  4175.17   165.403   4240.84   233.821   4109.38   234.010   177.727 4.9118  174.943 4.9940  2.783646       7.004712 
1 1 1 -5  5   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  5   19 o 50.505  1.7707  342.436   23.907    349.991   33.743    334.820   33.877    51.098  2.4654  49.912  2.5424  1.185799       3.541492 
1 1 1 -5  5   20 o 130.156 2.8199  2275.25   98.242    2172.85   138.595   2378.67   139.278   127.205 4.0677  133.107 3.9065  -5.901962      5.639831 
1 1 1 -5  5   21 o 156.817 3.3202  3306.52   139.437   3370.63   197.018   3242.18   197.369   158.346 4.6453  155.287 4.7452  3.059097       6.640432 
1 1 1 -5  5   22 f 208.369 4.1069  5850.93   229.208   5885.96   323.972   5815.83   324.326   208.998 5.7873  207.740 5.8287  1.257980       8.213823 
1 1 1 -5  5   23 o 46.558  1.8920  291.680   23.489    292.967   32.921    290.346   33.525    46.665  2.6447  46.450  2.7063  0.2150879      3.783982 
1 1 1 -5  5   24 o 59.822  1.9462  480.003   31.183    476.277   43.872    483.808   44.331    59.587  2.7488  60.056  2.7559  -0.4690132     3.892411 
1 1 1 -5  5   25 o 95.087  2.3034  1214.56   58.590    1137.65   82.479    1292.90   83.245    92.040  3.3456  98.133  3.1670  -6.093323      4.606878 
1 1 1 -5  5   26 o 80.411  2.1870  868.626   47.097    880.828   66.383    856.260   66.830    80.983  3.0604  79.840  3.1251  1.142265       4.374026 
1 1 1 -5  5   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  5   28 o 93.141  2.3631  1168.79   58.927    1208.16   83.245    1129.24   83.425    94.723  3.2811  91.559  3.4018  3.164299       4.726256 
1 1 1 -5  5   29 o 69.295  2.0455  646.878   37.924    609.741   53.450    684.527   53.816    67.281  2.9660  71.308  2.8176  -4.026703      4.090966 
1 1 1 -5  5   30 o 60.496  2.0033  493.917   32.423    520.063   45.772    467.585   45.935    62.116  2.7511  58.876  2.9128  3.240063       4.006586 
1 1 1 -5  5   31 o 25.815  2.1298  91.927    14.305    103.308   20.012    80.033    20.458    27.529  2.7507  24.100  3.2522  3.429268       4.259522 
1 1 1 -5  5   32 o 21.790  2.2625  65.707    12.808    63.676    17.940    67.818    18.291    21.435  3.2247  22.145  3.1744  -0.7104454     4.524990 
1 1 1 -5  5   33 o 41.875  1.9899  238.999   22.145    253.076   31.119    224.557   31.520    43.156  2.7058  40.593  2.9184  2.563091       3.979752 
1 1 1 -5  5   34 o 63.326  2.0708  545.063   35.121    549.381   49.487    540.682   49.852    63.586  2.9057  63.066  2.9512  0.5197754      4.141535 
1 1 1 -5  5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  5   36 o 14.448  2.8613  29.924    11.489    29.188    15.673    30.779    16.893    14.260  3.9615  14.635  4.1296  -0.3743715     5.722527 
1 1 1 -5  5   37 o 32.077  2.1894  143.199   18.558    147.013   25.949    139.205   26.553    32.550  3.0104  31.603  3.1800  0.9464684      4.378897 
1 1 1 -5  5   38 o 11.843  2.8850  17.641    11.507    9.3237    16.056    26.425    16.499    10.152  4.0049  13.535  4.1538  -3.383191      5.770000 
1 1 1 -5  5   39 o 20.352  2.7894  63.154    14.513    82.202    20.033    42.112    21.055    24.043  3.1895  16.662  4.5772  7.380350       5.578849 
1 1 1 -5  5   40 o 24.169  2.5978  85.075    16.265    79.264    22.633    91.280    23.390    23.256  3.7620  25.082  3.5835  -1.826233      5.195597 
1 1 1 -5  5   41 f 15.164  3.0580  35.205    13.064    37.864    18.008    32.251    18.982    15.759  4.1928  14.568  4.4527  1.191558       6.116026 
1 1 1 -5  5   42 o 10.938  2.9621  11.945    12.775    1.1020    17.799    23.463    18.345    9.1383  3.9547  12.738  4.4110  -3.599948      5.924247 
1 1 1 -5  5   43 o 17.487  3.1994  49.350    15.399    37.727    22.050    60.416    21.514    15.295  4.8198  19.679  4.2089  -4.384296      6.398812 
1 1 1 -5  6   1  o 161.508 3.2510  3496.41   140.605   3408.18   198.748   3584.82   198.942   159.466 4.6531  163.549 4.5414  -4.083237      6.501988 
1 1 1 -5  6   2  o 169.012 3.3791  3828.60   152.967   3800.26   216.411   3856.91   216.244   168.387 4.7982  169.638 4.7592  -1.251450      6.758175 
1 1 1 -5  6   3  o 341.600 6.3420  15669.20  580.272   15691.10  820.807   15647.31  820.451   341.840 8.9646  341.361 8.9732  0.4782715      12.68395 
1 1 1 -5  6   4  o 87.969  2.1270  1036.76   50.107    1062.60   70.961    1011.06   70.763    89.062  2.9746  86.875  3.0410  2.187492       4.253998 
1 1 1 -5  6   5  o 93.084  2.2213  1160.90   55.373    1137.51   78.320    1184.27   78.298    92.146  3.1733  94.022  3.1091  -1.875618      4.442512 
1 1 1 -5  6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  6   7  o 287.564 5.4187  11094.49  417.342   10938.78  590.036   11250.38  590.385   285.541 7.7147  289.587 7.6115  -4.045319      10.83749 
1 1 1 -5  6   8  o 163.355 3.3180  3576.73   145.134   3679.07   205.313   3474.50   205.188   165.693 4.6262  161.018 4.7576  4.675308       6.635999 
1 1 1 -5  6   9  o 187.699 3.7080  4722.16   186.410   4660.83   263.527   4783.57   263.721   186.479 5.2760  188.920 5.2117  -2.441254      7.416078 
1 1 1 -5  6   10 o 533.853 9.8737  38388.91  1411.77   38877.14  1996.87   37901.01  1996.22   537.266 13.876  530.440 14.050  6.825500       19.74736 
1 1 1 -5  6   11 o 362.413 6.7285  17640.75  653.119   17455.07  923.380   17826.65  923.920   360.499 9.5629  364.326 9.4679  -3.827362      13.45696 
1 1 1 -5  6   12 f 116.146 2.5550  1807.48   79.479    1779.89   112.237   1835.24   112.563   115.256 3.6356  117.035 3.5908  -1.778854      5.109973 
1 1 1 -5  6   13 o 482.889 8.8990  31447.07  1150.86   32025.81  1627.84   30868.72  1627.29   487.362 12.470  478.417 12.699  8.944885       17.79802 
1 1 1 -5  6   14 o 194.987 3.8545  5100.53   201.311   5105.52   284.565   5095.52   284.829   195.083 5.4459  194.891 5.4564  0.1919556      7.709095 
1 1 1 -5  6   15 f 151.499 3.1272  3078.49   126.895   3047.92   179.298   3109.16   179.617   150.745 4.4406  152.254 4.4044  -1.508774      6.254448 
1 1 1 -5  6   16 o 207.244 4.0651  5771.24   225.651   5758.67   318.979   5783.83   319.259   207.018 5.7526  207.470 5.7451  -0.4524994     8.130116 
1 1 1 -5  6   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  6   18 o 147.982 3.0953  2941.24   122.647   2847.74   173.176   3035.32   173.722   145.616 4.4401  150.347 4.3139  -4.731277      6.190640 
1 1 1 -5  6   19 o 183.592 3.6334  4532.99   178.671   4535.60   252.509   4530.37   252.850   183.646 5.1334  183.538 5.1434  0.1074677      7.266780 
1 1 1 -5  6   20 o 64.742  1.9900  562.081   34.507    558.101   48.588    566.130   49.015    64.511  2.8120  64.973  2.8165  -0.4621964     3.979936 
1 1 1 -5  6   21 o 220.071 4.3292  6530.91   255.157   6645.33   360.725   6416.33   360.968   222.014 6.0661  218.128 6.1783  3.885895       8.658432 
1 1 1 -5  6   22 o 113.651 2.5724  1734.15   78.306    1724.94   110.472   1743.44   111.014   113.348 3.6387  113.954 3.6371  -0.6063080     5.144801 
1 1 1 -5  6   23 o 90.568  2.3157  1101.14   56.165    1121.23   79.207    1080.82   79.654    91.402  3.2353  89.734  3.3140  1.667084       4.631446 
1 1 1 -5  6   24 o 150.361 3.1678  3042.08   127.580   3025.52   180.133   3058.76   180.720   149.950 4.4850  150.773 4.4750  -0.8229828     6.335665 
1 1 1 -5  6   25 o 102.726 2.4282  1418.00   66.811    1410.10   94.219    1425.98   94.753    102.438 3.4339  103.013 3.4341  -0.5754700     4.856412 
1 1 1 -5  6   26 o 99.069  5.0596  1330.14   133.811   0.0000    0.0000    1330.14   133.811   ?       ?       99.069  5.0596  ?              ?        
1 1 1 -5  6   27 o 95.886  2.3678  1237.76   60.812    1229.15   85.821    1246.45   86.182    95.551  3.3533  96.222  3.3439  -0.6713867     4.735618 
1 1 1 -5  6   28 o 50.738  1.9579  347.351   26.501    337.939   37.298    356.948   37.661    50.038  2.7941  51.437  2.7434  -1.399261      3.915771 
1 1 1 -5  6   29 o 57.714  1.9706  449.346   30.395    429.963   42.746    469.169   43.227    56.413  2.8380  59.015  2.7347  -2.602032      3.941162 
1 1 1 -5  6   30 o 57.539  1.9725  447.598   30.314    471.255   42.938    424.087   42.804    59.104  2.7123  55.974  2.8647  3.130634       3.944950 
1 1 1 -5  6   31 o 31.860  2.0268  138.294   17.075    127.242   23.833    149.949   24.474    30.526  2.9517  33.194  2.7782  -2.668127      4.053544 
1 1 1 -5  6   32 o 32.542  2.0156  144.438   17.336    130.499   24.177    159.188   24.871    30.892  2.9581  34.192  2.7386  -3.300476      4.031176 
1 1 1 -5  6   33 o 64.809  2.0818  570.248   36.122    546.234   50.631    595.143   51.550    63.409  2.9811  66.210  2.9068  -2.801147      4.163695 
1 1 1 -5  6   34 o 15.236  5.3607  29.784    27.147    0.0000    0.0000    29.784    27.147    ?       ?       15.236  5.3607  ?              ?        
1 1 1 -5  6   35 o 28.675  2.1732  113.852   16.395    105.904   23.118    121.896   23.256    27.624  3.1826  29.727  2.9602  -2.102201      4.346413 
1 1 1 -5  6   36 o 62.149  2.1253  530.665   35.376    523.112   49.759    538.385   50.305    61.699  3.0109  62.599  3.0002  -0.8998947     4.250539 
1 1 1 -5  6   37 o 35.170  2.1044  171.781   19.530    150.404   27.133    194.764   28.133    32.821  3.1241  37.518  2.8202  -4.696438      4.208722 
1 1 1 -5  6   38 o 22.270  2.5890  72.015    14.701    56.195    20.467    88.877    21.130    19.506  4.0499  25.034  3.2263  -5.527849      5.177940 
1 1 1 -5  6   39 o 27.050  2.3845  104.567   16.881    100.301   23.179    109.387   24.634    26.471  3.3437  27.629  3.4005  -1.158279      4.769030 
1 1 1 -5  6   40 o 34.561  2.2602  169.949   20.673    162.504   28.889    177.762   29.595    33.756  3.2348  35.366  3.1574  -1.610115      4.520331 
1 1 1 -5  6   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  6   42 o 25.059  2.7862  95.591    17.839    108.392   24.677    81.577    25.819    27.167  3.4705  22.950  4.3597  4.217915       5.572407 
1 1 1 -5  6   43 o 19.905  3.0511  62.545    15.821    51.066    21.422    76.316    23.465    17.722  4.5037  22.088  4.1176  -4.366335      6.102265 
1 1 1 -5  7   1  o 374.468 6.9362  18839.90  695.698   18712.13  983.705   18967.75  984.027   373.194 9.8410  375.742 9.7775  -2.548157      13.87247 
1 1 1 -5  7   2  o 336.308 6.2810  15187.26  565.734   15433.48  800.334   14941.36  799.803   339.040 8.8132  333.577 8.9515  5.462646       12.56192 
1 1 1 -5  7   3  o 244.127 4.6333  7992.64   302.964   7950.96   428.591   8034.26   428.320   243.490 6.5716  244.764 6.5333  -1.274094      9.266628 
1 1 1 -5  7   4  o 248.491 6.7411  8302.74   447.966   8818.01   632.494   7784.11   634.549   256.259 9.2149  240.723 9.8415  15.53619       13.48213 
1 1 1 -5  7   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  7   6  o 112.305 2.4686  1690.00   74.237    1646.05   104.993   1733.94   104.981   110.844 3.5364  113.766 3.4452  -2.921844      4.937113 
1 1 1 -5  7   7  o 621.853 11.376  52181.65  1894.48   53243.72  2679.88   51120.66  2678.52   628.225 15.926  615.481 16.248  12.74390       22.75144 
1 1 1 -5  7   8  o 270.199 5.0933  9793.60   368.520   9533.28   520.890   10054.48  521.442   266.599 7.2946  273.800 7.1102  -7.201172      10.18657 
1 1 1 -5  7   9  o 161.313 3.2421  3487.22   140.079   3451.52   198.017   3522.99   198.187   160.486 4.6065  162.140 4.5635  -1.654129      6.484246 
1 1 1 -5  7   10 o 705.698 13.042  67440.23  2464.46   69449.53  3486.81   65434.46  3483.74   716.316 18.173  695.081 18.712  21.23468       26.08471 
1 1 1 -5  7   11 o 252.995 4.7936  8586.47   324.834   8590.90   459.331   8582.04   459.438   253.061 6.7766  252.930 6.7817  0.1308136      9.587151 
1 1 1 -5  7   12 o 100.949 2.3480  1365.44   63.489    1359.38   89.698    1371.53   89.874    100.724 3.3248  101.174 3.3165  -0.4493866     4.696092 
1 1 1 -5  7   13 o 274.236 5.1797  10104.41  380.395   9868.82   537.623   10340.59  538.297   271.025 7.4059  277.447 7.2436  -6.421539      10.35940 
1 1 1 -5  7   14 o 226.285 4.3976  6879.10   266.476   7051.31   376.858   6706.89   376.849   229.126 6.1407  223.443 6.2967  5.682602       8.795210 
1 1 1 -5  7   15 o 74.327  2.0346  740.464   40.505    735.579   57.125    745.403   57.442    74.081  2.8789  74.574  2.8758  -0.4931488     4.069201 
1 1 1 -5  7   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  7   17 f 124.769 2.7034  2089.18   90.337    2054.30   127.538   2124.28   127.974   123.722 3.8486  125.815 3.7975  -2.093140      5.406744 
1 1 1 -5  7   18 o 216.350 4.1868  6304.60   242.511   6077.27   342.553   6533.03   343.375   212.419 6.0207  220.281 5.8197  -7.862045      8.373626 
1 1 1 -5  7   19 o 176.754 3.5139  4201.59   166.357   4202.22   235.069   4200.97   235.461   176.768 4.9648  176.740 4.9739  0.2766418E-01  7.027722 
1 1 1 -5  7   20 o 52.818  1.8948  374.600   26.710    347.536   37.418    402.720   38.141    50.832  2.7586  54.804  2.5983  -3.971642      3.789580 
1 1 1 -5  7   21 o 123.977 2.7563  2064.43   91.525    2083.80   129.190   2044.91   129.683   124.564 3.8721  123.391 3.9238  1.172623       5.512682 
1 1 1 -5  7   22 o 58.687  1.9412  462.031   30.508    467.255   42.881    456.675   43.415    59.024  2.7124  58.350  2.7779  0.6742134      3.882452 
1 1 1 -5  7   23 o 120.881 2.7074  1963.41   87.654    1930.89   123.611   1996.30   124.316   119.872 3.8499  121.890 3.8078  -2.017776      5.414861 
1 1 1 -5  7   24 o 151.968 3.1489  3110.54   128.128   3201.23   181.001   3019.45   181.402   154.202 4.3823  149.734 4.5231  4.467651       6.297831 
1 1 1 -5  7   25 f 111.481 2.5538  1671.97   76.242    1627.83   107.458   1716.71   108.191   109.994 3.6473  112.968 3.5756  -2.973083      5.107644 
1 1 1 -5  7   26 o 38.224  2.4659  206.552   23.260    225.443   29.077    172.980   38.761    40.878  2.6703  35.569  4.1464  5.309040       4.931833 
1 1 1 -5  7   27 o 47.731  1.9394  307.802   24.646    327.996   34.813    287.511   34.896    49.321  2.6449  46.142  2.8373  3.178188       3.878838 
1 1 1 -5  7   28 o 54.617  1.9659  402.723   28.667    423.337   40.415    381.848   40.670    56.074  2.6909  53.160  2.8668  2.913383       3.931867 
1 1 1 -5  7   29 o 70.169  2.0911  666.078   39.207    714.028   55.206    617.277   55.693    72.745  2.8333  67.593  3.0762  5.152794       4.182130 
1 1 1 -5  7   30 o 83.162  2.2736  938.224   50.565    995.011   71.362    880.963   71.659    85.724  3.1079  80.600  3.3193  5.124138       4.547214 
1 1 1 -5  7   31 o 58.629  2.0643  468.112   32.148    524.737   45.391    411.122   45.537    62.289  2.7206  54.969  3.1055  7.319450       4.128695 
1 1 1 -5  7   32 o 21.110  2.4133  62.069    13.164    58.151    18.161    66.408    19.109    20.386  3.4490  21.835  3.3764  -1.449234      4.826515 
1 1 1 -5  7   33 o 53.417  2.0494  388.967   29.208    380.083   40.951    398.166   41.670    52.792  2.9073  54.043  2.8892  -1.250843      4.098747 
1 1 1 -5  7   34 o 9.2097  2.5763  5.8674    9.6671    11.505    13.598    0.1062    13.746    10.188  3.7655  8.2310  3.5173  1.957490       5.152701 
1 1 1 -5  7   35 o 24.520  2.3895  84.035    15.229    76.101    20.858    93.093    22.286    23.240  3.4560  25.800  3.3007  -2.559767      4.778977 
1 1 1 -5  7   36 o 53.587  2.0909  396.691   29.893    399.720   42.158    393.628   42.393    53.804  2.9364  53.369  2.9775  0.4352570      4.181890 
1 1 1 -5  7   37 o 18.992  2.7131  52.779    13.328    63.915    19.146    42.310    18.564    21.092  3.5125  16.892  4.1361  4.200285       5.426271 
1 1 1 -5  7   38 o 26.590  2.4019  101.428   16.640    106.129   22.952    96.220    24.159    27.345  3.1938  25.835  3.5882  1.510725       4.803740 
1 1 1 -5  7   39 o 13.531  3.1042  26.835    12.810    26.606    17.135    27.124    19.288    13.435  4.2504  13.628  4.5252  -0.1930828     6.208352 
1 1 1 -5  7   40 o 15.961  3.9312  36.570    17.957    42.988    39.761    34.925    20.126    16.824  6.3918  15.098  4.5786  1.726563       7.862496 
1 1 1 -5  7   41 o 16.020  3.2685  40.477    14.811    42.160    20.298    38.560    21.660    16.400  4.4895  15.639  4.7514  0.7607574      6.536945 
1 1 1 -5  7   42 o 21.233  3.0349  74.080    16.657    98.067    22.749    46.357    24.456    25.767  3.3775  16.699  5.0433  9.068161       6.069769 
1 1 1 -5  8   1  f 300.419 5.6473  12111.95  454.398   11970.18  642.412   12253.90  642.820   298.656 8.0307  302.182 7.9420  -3.525482      11.29460 
1 1 1 -5  8   2  f 206.406 5.6748  5717.37   313.716   5736.00   441.796   5698.41   445.551   206.747 7.9780  206.064 8.0725  0.6833496      11.34958 
1 1 1 -5  8   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  8   4  f 355.470 6.6525  16969.88  633.244   17415.32  896.102   16525.55  894.984   360.142 9.2896  350.798 9.5251  9.344025       13.30501 
1 1 1 -5  8   5  o 202.710 3.9411  5508.52   213.952   5619.74   302.803   5397.63   302.346   204.755 5.5213  200.664 5.6253  4.090530       7.882131 
1 1 1 -5  8   6  o 237.589 4.5361  7569.04   288.657   7493.00   408.287   7645.04   408.159   236.395 6.4482  238.784 6.3817  -2.389328      9.072224 
1 1 1 -5  8   7  o 314.659 5.8936  13288.95  496.582   13652.75  702.653   12925.94  701.894   318.970 8.2244  310.347 8.4437  8.622986       11.78715 
1 1 1 -5  8   8  f 418.727 7.7349  23568.66  867.435   23211.59  1226.43   23926.08  1227.05   415.542 11.019  421.912 10.858  -6.369720      15.46976 
1 1 1 -5  8   9  o 337.285 6.2591  15280.64  565.115   14657.15  798.548   15906.15  799.841   330.373 9.0242  344.197 8.6758  -13.82391      12.51817 
1 1 1 -5  8   10 o 443.407 8.1952  26466.36  973.291   26656.16  1376.48   26276.58  1376.41   445.004 11.548  441.809 11.631  3.195923       16.39042 
1 1 1 -5  8   11 o 118.392 2.6249  1878.44   83.233    1850.80   117.624   1906.16   117.794   117.519 3.7368  119.265 3.6874  -1.745674      5.249823 
1 1 1 -5  8   12 o 108.003 2.4421  1563.46   70.639    1591.98   99.879    1534.93   99.917    108.989 3.4214  107.017 3.4858  1.971985       4.884296 
1 1 1 -5  8   13 o 133.216 2.8203  2379.69   100.634   2374.71   142.244   2384.68   142.393   133.076 3.9907  133.355 3.9865  -0.2794495     5.640687 
1 1 1 -5  8   14 o 120.335 2.6612  1942.51   85.747    1998.03   121.246   1886.94   121.283   122.058 3.7086  118.612 3.8175  3.446663       5.322369 
1 1 1 -5  8   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  8   16 o 28.534  1.7689  110.206   13.318    122.433   18.918    98.193    18.753    30.131  2.3631  26.936  2.6328  3.195084       3.537771 
1 1 1 -5  8   17 o 236.166 4.5979  7519.25   290.821   7395.31   410.958   7643.58   411.608   234.205 6.5511  238.127 6.4534  -3.922409      9.195775 
1 1 1 -5  8   18 o 144.860 3.0420  2819.46   117.991   2730.69   166.556   2908.90   167.176   142.564 4.3618  147.155 4.2414  -4.591339      6.083944 
1 1 1 -5  8   19 o 79.934  2.1345  857.267   45.691    874.176   64.441    840.172   64.794    80.728  2.9802  79.139  3.0567  1.588913       4.269080 
1 1 1 -5  8   20 o 42.710  1.9549  245.937   22.218    255.246   31.128    236.269   31.721    43.545  2.6819  41.875  2.8451  1.670704       3.909887 
1 1 1 -5  8   21 o 17.775  2.4736  43.879    11.357    42.641    15.930    45.158    16.194    17.511  3.5185  18.038  3.4779  -0.5267239     4.947264 
1 1 1 -5  8   22 o 31.775  1.9355  136.542   16.287    128.042   22.981    145.121   23.087    30.765  2.8202  32.786  2.6517  -2.021042      3.871059 
1 1 1 -5  8   23 o 155.690 3.2278  3264.15   134.600   3238.45   190.055   3290.02   190.654   155.073 4.5757  156.307 4.5538  -1.233765      6.455561 
1 1 1 -5  8   24 f 100.332 2.3833  1354.28   63.984    1421.33   90.379    1286.90   90.595    102.834 3.2813  97.830  3.4573  5.003075       4.766557 
1 1 1 -5  8   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  8   26 o 66.639  2.0700  597.389   36.919    566.152   51.786    629.677   52.649    64.863  2.9808  68.416  2.8730  -3.553864      4.139954 
1 1 1 -5  8   27 o 55.417  1.9743  414.525   29.214    433.465   41.085    395.155   41.549    56.747  2.7030  54.088  2.8783  2.659187       3.948559 
1 1 1 -5  8   28 f 61.068  2.0054  502.932   32.786    481.546   46.038    524.938   46.701    59.744  2.8770  62.391  2.7946  -2.646599      4.010814 
1 1 1 -5  8   29 o 157.666 3.3824  3412.59   142.834   3439.75   201.695   3385.26   202.302   158.317 4.7564  157.015 4.8103  1.302155       6.764772 
1 1 1 -5  8   30 o 44.397  1.9710  267.769   23.305    273.815   32.666    261.501   33.260    44.922  2.7277  43.871  2.8458  1.050892       3.941979 
1 1 1 -5  8   31 o 62.475  2.0695  529.719   34.604    547.904   48.639    511.081   49.241    63.580  2.8561  61.370  2.9956  2.210258       4.138955 
1 1 1 -5  8   32 o 18.563  2.5462  48.692    12.202    50.460    17.366    46.967    17.148    18.913  3.5587  18.213  3.6424  0.6999798      5.092329 
1 1 1 -5  8   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  8   34 o 47.002  2.0546  303.958   25.652    329.989   36.173    277.629   36.381    49.093  2.7622  44.911  3.0423  4.182083       4.109181 
1 1 1 -5  8   35 o 16.798  2.8751  41.556    13.099    54.255    18.405    28.521    18.647    19.443  3.6686  14.153  4.4279  5.289868       5.750235 
1 1 1 -5  8   36 o 19.937  2.6714  58.113    13.654    42.065    19.045    75.087    19.586    16.852  4.2267  23.022  3.2681  -6.169958      5.342789 
1 1 1 -5  8   37 o 34.806  2.1887  170.323   20.191    168.881   28.434    171.789   28.677    34.656  3.0957  34.956  3.0948  -0.2993088     4.377349 
1 1 1 -5  8   38 o 28.535  2.4103  117.006   17.981    126.289   25.283    107.505   25.577    29.795  3.2192  27.275  3.5882  2.519753       4.820619 
1 1 1 -5  8   39 o 31.615  2.3427  143.651   19.431    155.485   27.116    131.160   27.859    33.098  3.0946  30.132  3.5181  2.965973       4.685474 
1 1 1 -5  8   40 o 28.677  2.4689  120.032   18.488    127.458   25.712    112.084   26.602    29.737  3.2830  27.617  3.6884  2.119596       4.937828 
1 1 1 -5  8   41 o 10.815  2.9623  13.508    12.446    18.501    16.985    7.7165    18.292    11.596  4.2206  10.034  4.1578  1.562078       5.924532 
1 1 1 -5  9   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  9   2  o 287.988 5.4509  11127.26  420.466   11119.91  594.642   11134.61  594.614   287.893 7.7114  288.083 7.7060  -0.1905518     10.90176 
1 1 1 -5  9   3  o 172.980 3.5151  4010.39   162.847   4076.80   230.492   3944.19   230.108   174.411 4.9339  171.549 5.0079  2.861969       7.030133 
1 1 1 -5  9   4  o 447.994 8.2665  26985.80  991.935   27095.63  1403.10   26876.05  1402.52   448.909 11.669  447.080 11.712  1.829193       16.53309 
1 1 1 -5  9   5  f 377.199 6.9842  19110.62  705.552   18790.02  997.736   19431.29  997.867   374.026 9.9592  380.373 9.7943  -6.347076      13.96834 
1 1 1 -5  9   6  o 502.239 9.2406  33958.54  1242.95   34549.52  1758.40   33368.36  1757.20   506.629 12.958  497.850 13.178  8.778564       18.48129 
1 1 1 -5  9   7  o 113.614 2.5928  1729.44   78.899    1749.79   111.764   1709.21   111.397   114.280 3.6513  112.947 3.6822  1.333336       5.185616 
1 1 1 -5  9   8  o 374.815 6.9725  18879.55  699.992   18926.18  990.062   18832.93  989.815   375.279 9.8496  374.350 9.8716  0.9285278      13.94500 
1 1 1 -5  9   9  o 551.610 10.183  41098.27  1504.43   40838.70  2127.38   41357.95  2127.80   549.854 14.445  553.367 14.356  -3.513489      20.36513 
1 1 1 -5  9   10 o 309.401 5.7898  12865.58  479.742   12606.69  678.133   13124.97  678.785   306.274 8.2664  312.527 8.1088  -6.252960      11.57951 
1 1 1 -5  9   11 o 267.280 5.0911  9602.02   364.346   9299.25   514.888   9905.68   515.639   263.045 7.3079  271.515 7.0903  -8.469604      10.18223 
1 1 1 -5  9   12 o 375.621 7.0157  19057.07  705.629   19604.82  998.246   18510.06  997.574   381.060 9.7804  370.181 10.061  10.87918       14.03138 
1 1 1 -5  9   13 o 107.180 2.4322  1540.38   69.822    1531.32   98.648    1549.48   98.839    106.864 3.4464  107.496 3.4328  -0.6323776     4.864361 
1 1 1 -5  9   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  9   15 o 219.709 4.2893  6499.25   252.397   6595.87   356.902   6402.58   356.985   221.351 6.0197  218.066 6.1118  3.284866       8.578578 
1 1 1 -5  9   16 o 184.680 3.7112  4588.14   183.539   4695.03   259.519   4481.18   259.607   186.841 5.1857  182.518 5.3103  4.323334       7.422338 
1 1 1 -5  9   17 o 116.100 2.5754  1809.41   80.080    1837.01   113.129   1781.69   113.372   116.990 3.6103  115.210 3.6739  1.779518       5.150872 
1 1 1 -5  9   18 o 115.853 2.5969  1801.82   80.581    1780.59   113.735   1823.22   114.185   115.166 3.6871  116.539 3.6580  -1.372688      5.193805 
1 1 1 -5  9   19 o 116.319 2.6072  1816.59   81.230    1824.51   114.710   1808.62   115.042   116.574 3.6738  116.063 3.7006  0.5110626      5.214500 
1 1 1 -5  9   20 o 131.752 2.8705  2333.00   101.226   2223.85   142.794   2443.26   143.520   128.645 4.1441  134.860 3.9732  -6.215469      5.741055 
1 1 1 -5  9   21 o 86.964  2.2341  1015.00   52.033    996.052   73.315    1034.23   73.861    86.145  3.1774  87.782  3.1414  -1.637779      4.468131 
1 1 1 -5  9   22 o 33.071  1.9092  147.779   16.734    137.117   23.507    158.732   23.828    31.844  2.7839  34.298  2.6134  -2.453144      3.818413 
1 1 1 -5  9   23 o 76.102  2.1490  777.995   43.804    778.996   61.673    776.975   62.227    76.153  3.0235  76.052  3.0548  0.1012268      4.298090 
1 1 1 -5  9   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  9   25 o 86.176  2.2684  1000.18   52.291    935.740   73.501    1066.22   74.410    83.352  3.2922  88.999  3.1214  -5.647377      4.536755 
1 1 1 -5  9   26 o 116.792 2.6967  1844.62   84.359    1833.52   118.932   1855.87   119.676   116.439 3.8134  117.146 3.8141  -0.7072220     5.393441 
1 1 1 -5  9   27 o 134.559 2.9451  2460.96   106.145   2459.72   149.731   2462.21   150.495   134.530 4.1553  134.589 4.1747  -0.5897522E-01 5.890228 
1 1 1 -5  9   28 o 98.766  2.4775  1323.26   65.538    1310.74   92.279    1336.01   93.096    98.294  3.5050  99.238  3.5024  -0.9440002     4.954967 
1 1 1 -5  9   29 o 50.639  1.9810  347.649   26.751    332.244   37.434    363.725   38.242    49.482  2.8363  51.796  2.7665  -2.314365      3.962064 
1 1 1 -5  9   30 o 25.312  2.2562  89.584    14.555    110.691   20.599    68.541    20.568    28.471  2.7349  22.153  3.5892  6.317921       4.512432 
1 1 1 -5  9   31 o 30.540  2.1123  128.583   16.944    141.168   23.655    115.321   24.282    32.146  2.7745  28.935  3.1859  3.211512       4.224660 
1 1 1 -5  9   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  9   33 o 57.469  2.1058  452.845   32.297    440.061   45.405    465.938   45.951    56.634  3.0039  58.303  2.9521  -1.669098      4.211689 
1 1 1 -5  9   34 o 19.615  2.6601  55.303    13.452    48.511    18.842    62.364    19.211    18.294  3.9601  20.936  3.5527  -2.642416      5.320196 
1 1 1 -5  9   35 o 8.7601  2.5401  1.0648    10.074    -8.4669   13.716    12.230    14.845    7.0598  3.2304  10.460  3.9208  -3.400501      5.080142 
1 1 1 -5  9   36 o 12.142  2.8840  19.177    11.483    10.632    15.784    28.786    16.737    10.284  3.9960  13.999  4.1596  -3.715137      5.768064 
1 1 1 -5  9   37 o 14.904  2.7551  32.178    12.280    12.744    17.151    52.621    17.591    10.834  4.1778  18.974  3.5929  -8.139107      5.510238 
1 1 1 -5  9   38 o 25.948  2.4841  97.327    16.814    94.557    23.361    100.305   24.219    25.564  3.5039  26.331  3.5223  -0.7664852     4.968284 
1 1 1 -5  9   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  9   40 o 12.279  3.0998  21.267    12.889    23.574    18.622    19.146    17.856    12.715  4.4418  11.844  4.3249  0.8709660      6.199573 
1 1 1 -5  9   41 o 16.616  3.2516  45.285    15.089    51.644    21.257    38.827    21.422    17.866  4.4568  15.366  4.7358  2.499575       6.503152 
1 1 1 -5  10  1  o 450.782 8.4016  27328.42  1014.41   27156.22  1434.35   27500.74  1434.82   449.355 11.917  452.208 11.846  -2.852753      16.80322 
1 1 1 -5  10  2  o 425.905 7.8973  24387.34  900.621   23666.97  1273.08   25109.03  1274.26   419.585 11.328  432.224 11.007  -12.63956      15.79460 
1 1 1 -5  10  3  o 326.191 6.0619  14280.91  529.622   14248.13  749.088   14313.68  748.909   325.816 8.5836  326.566 8.5619  -0.7503662     12.12371 
1 1 1 -5  10  4  o 263.452 4.9718  9309.31   350.834   9314.31   496.357   9304.32   495.952   263.522 7.0321  263.381 7.0302  0.1412659      9.943552 
1 1 1 -5  10  5  o 588.581 10.875  46747.97  1714.37   47148.83  2425.08   46347.51  2423.90   591.122 15.317  586.041 15.442  5.080688       21.74958 
1 1 1 -5  10  6  o 450.588 8.3216  27321.64  1004.32   27463.91  1420.60   27179.48  1420.04   451.766 11.740  449.410 11.797  2.355896       16.64321 
1 1 1 -5  10  7  o 191.665 3.7595  4925.56   192.982   4846.20   272.984   5004.85   272.852   190.120 5.3607  193.210 5.2724  -3.090347      7.518986 
1 1 1 -5  10  8  o 286.123 5.4142  10994.94  414.856   10748.91  586.613   11241.12  586.777   282.912 7.7413  289.334 7.5715  -6.422363      10.82844 
1 1 1 -5  10  9  f 331.928 6.2033  14821.33  551.508   14759.40  779.971   14883.26  779.929   331.231 8.7914  332.625 8.7541  -1.393341      12.40658 
1 1 1 -5  10  10 o 294.075 5.5213  11633.82  434.900   11629.37  615.041   11638.27  615.041   294.018 7.8098  294.131 7.8068  -0.1130981     11.04262 
1 1 1 -5  10  11 o 394.323 7.4421  21044.22  785.644   21805.65  1111.60   20284.26  1110.54   401.523 10.336  387.123 10.710  14.40063       14.88416 
1 1 1 -5  10  12 o 296.351 5.6032  11845.11  444.755   11952.35  628.955   11737.85  629.003   297.702 7.8877  295.000 7.9605  2.702454       11.20648 
1 1 1 -5  10  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  10  14 o 92.951  2.2409  1158.79   55.791    1159.30   78.783    1158.28   79.018    92.971  3.1637  92.930  3.1746  0.4144287E-01  4.481819 
1 1 1 -5  10  15 f 104.314 2.4204  1461.08   67.552    1539.88   95.520    1382.23   95.546    107.135 3.3287  101.492 3.5147  5.642426       4.840807 
1 1 1 -5  10  16 o 120.488 2.6619  1948.95   85.904    1955.45   121.338   1942.41   121.637   120.690 3.7535  120.286 3.7754  0.4046478      5.323729 
1 1 1 -5  10  17 o 79.161  2.1299  841.539   45.087    895.700   63.722    787.238   63.804    81.719  2.9112  76.603  3.1096  5.115509       4.259710 
1 1 1 -5  10  18 o 319.480 6.0928  13856.92  521.372   13800.55  737.024   13913.38  737.640   318.823 8.6307  320.137 8.6024  -1.314850      12.18562 
1 1 1 -5  10  19 o 55.375  1.9066  411.346   28.271    420.817   39.885    401.785   40.076    56.016  2.6583  54.733  2.7337  1.283512       3.813127 
1 1 1 -5  10  20 f 120.951 2.7116  1965.58   87.847    1969.18   123.979   1961.95   124.491   121.063 3.8234  120.839 3.8463  0.2249374      5.423288 
1 1 1 -5  10  21 o 179.833 3.6530  4361.32   175.957   4342.18   248.540   4380.55   249.142   179.437 5.1713  180.230 5.1610  -0.7937012     7.305984 
1 1 1 -5  10  22 o 105.641 2.5067  1500.92   70.920    1522.55   100.063   1479.08   100.532   106.410 3.5108  104.872 3.5789  1.538048       5.013411 
1 1 1 -5  10  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  10  24 o 53.469  1.9535  385.320   27.877    374.137   39.128    396.847   39.725    52.677  2.7831  54.261  2.7422  -1.584629      3.907076 
1 1 1 -5  10  25 o 113.070 2.6170  1727.70   79.236    1675.52   111.650   1780.65   112.467   111.338 3.7439  114.802 3.6575  -3.463623      5.233960 
1 1 1 -5  10  26 f 56.708  1.9707  433.911   29.865    414.826   41.889    453.639   42.590    55.398  2.8325  58.018  2.7406  -2.620152      3.941372 
1 1 1 -5  10  27 o 95.509  2.4065  1236.89   61.527    1280.30   86.760    1192.98   87.266    97.219  3.3318  93.799  3.4734  3.419914       4.813065 
1 1 1 -5  10  28 o 12.558  2.5886  20.551    9.8191    10.024    13.434    32.627    14.388    9.9247  3.7278  15.191  3.5926  -5.266177      5.177196 
1 1 1 -5  10  29 o 32.210  2.0224  141.852   17.144    122.532   23.983    162.039   24.516    29.909  3.0358  34.512  2.6729  -4.603567      4.044847 
1 1 1 -5  10  30 o 46.498  2.0034  294.181   24.809    277.151   34.660    312.075   35.528    45.100  2.8843  47.895  2.7814  -2.795486      4.006889 
1 1 1 -5  10  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  10  32 o 40.834  2.0767  229.020   22.543    233.450   31.481    224.357   32.297    41.265  2.8660  40.403  3.0060  0.8621025      4.153316 
1 1 1 -5  10  33 o 14.245  2.8777  28.756    12.112    40.597    17.056    16.711    17.202    16.745  3.8791  11.746  4.2517  4.998697       5.755337 
1 1 1 -5  10  34 o 22.033  2.5224  69.195    14.356    63.966    19.895    74.876    20.738    21.118  3.6491  22.948  3.4832  -1.830208      5.044701 
1 1 1 -5  10  35 o 31.050  2.2403  136.101   18.287    144.526   25.366    126.984   26.387    32.148  2.9797  29.952  3.3462  2.195459       4.480640 
1 1 1 -5  10  36 o 39.036  2.1413  214.090   22.197    219.822   31.140    208.169   31.648    39.612  2.9563  38.460  3.0985  1.152214       4.282564 
1 1 1 -5  10  37 o 15.160  3.0582  34.497    13.507    22.954    19.099    46.048    19.105    12.847  4.4978  17.472  4.1449  -4.625031      6.116356 
1 1 1 -5  10  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  10  39 o 27.721  2.6061  114.071   18.537    93.153    26.127    135.276   26.305    24.842  4.0673  30.600  3.2597  -5.757513      5.212293 
1 1 1 -5  10  40 o 14.898  3.0628  33.853    13.975    52.964    20.387    16.911    19.195    18.316  4.2394  11.480  4.4217  6.836036       6.125693 
1 1 1 -5  11  1  o 424.664 7.8870  24247.51  896.919   24825.64  1268.71   23669.88  1268.16   429.744 11.022  419.583 11.284  10.16019       15.77395 
1 1 1 -5  11  2  o 79.904  2.0957  855.339   44.849    843.722   63.429    866.953   63.422    79.361  2.9839  80.447  2.9434  -1.085434      4.191334 
1 1 1 -5  11  3  o 366.877 6.8568  18083.78  673.701   17722.62  952.580   18445.22  952.936   363.201 9.7919  370.554 9.6012  -7.352997      13.71360 
1 1 1 -5  11  4  o 143.110 2.9840  2744.62   114.378   2727.73   161.911   2761.45   161.599   142.670 4.2370  143.550 4.2029  -0.8798828     5.967911 
1 1 1 -5  11  5  o 339.476 6.3163  15482.43  574.299   15667.71  812.564   15297.49  811.798   341.511 8.8831  337.440 8.9818  4.070587       12.63255 
1 1 1 -5  11  6  o 174.462 3.5085  4080.82   163.939   4136.62   232.099   4025.27   231.590   175.653 4.9332  173.270 4.9901  2.382324       7.016930 
1 1 1 -5  11  7  o 210.569 4.0957  5949.05   230.998   5991.39   326.863   5906.80   326.499   211.319 5.7748  209.819 5.8096  1.499359       8.191464 
1 1 1 -5  11  8  o 264.238 4.9911  9383.39   353.193   9187.39   499.460   9579.44   499.521   261.468 7.1317  267.008 6.9846  -5.539276      9.982258 
1 1 1 -5  11  9  o 65.520  1.9053  575.262   33.429    592.844   47.476    557.972   47.079    66.514  2.6648  64.527  2.7239  1.986771       3.810674 
1 1 1 -5  11  10 o 437.473 8.1181  25982.01  951.080   26563.03  1345.57   25401.92  1344.49   442.426 11.355  432.521 11.605  9.904297       16.23626 
1 1 1 -5  11  11 o 188.219 7.5497  4777.13   380.611   0.0000    0.0000    4777.13   380.611   ?       ?       188.219 7.5497  ?              ?        
1 1 1 -5  11  12 o 316.043 8.5987  13660.96  727.067   12965.64  1030.51   14350.17  1025.96   307.851 12.497  324.235 11.814  -16.38397      17.19732 
1 1 1 -5  11  13 o 227.326 4.4102  6961.58   268.523   6893.36   379.570   7029.93   379.928   226.205 6.2647  228.447 6.2091  -2.241669      8.820389 
1 1 1 -5  11  14 o 43.935  1.8022  259.765   21.102    270.985   29.859    248.569   29.826    44.891  2.4931  42.979  2.6032  1.911144       3.604481 
1 1 1 -5  11  15 o 219.568 4.2768  6498.33   251.447   6306.64   355.236   6690.81   355.966   216.304 6.1315  222.833 5.9640  -6.529358      8.553608 
1 1 1 -5  11  16 o 199.836 3.9403  5378.38   210.880   5273.03   297.901   5484.19   298.560   197.865 5.6210  201.807 5.5234  -3.942383      7.880574 
1 1 1 -5  11  17 o 122.417 2.6889  2012.73   88.148    2056.99   124.488   1968.23   124.832   123.771 3.7551  121.063 3.8497  2.707855       5.377813 
1 1 1 -5  11  18 o 85.438  2.2225  979.931   50.836    1013.07   71.750    946.531   72.036    86.892  3.0829  83.984  3.2023  2.908165       4.445094 
1 1 1 -5  11  19 o 101.092 2.4448  1372.50   66.187    1395.47   93.408    1349.34   93.800    101.944 3.4208  100.239 3.4936  1.705002       4.889519 
1 1 1 -5  11  20 f 123.132 2.7517  2038.97   90.737    2079.00   128.104   1998.68   128.540   124.350 3.8462  121.913 3.9364  2.437180       5.503486 
1 1 1 -5  11  21 o 62.484  2.0116  524.219   33.657    506.689   47.323    542.162   47.878    61.425  2.8763  63.543  2.8130  -2.117607      4.023243 
1 1 1 -5  11  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  11  23 f 74.218  2.1282  741.095   42.304    729.250   59.549    753.163   60.109    73.618  3.0200  74.818  2.9995  -1.199646      4.256429 
1 1 1 -5  11  24 o 25.658  2.0613  90.442    13.676    108.403   19.470    72.949    19.214    28.270  2.6004  23.046  3.1990  5.223972       4.122580 
1 1 1 -5  11  25 o 31.700  1.9476  136.536   16.357    141.790   23.016    131.175   23.250    32.332  2.6819  31.068  2.8248  1.264420       3.895138 
1 1 1 -5  11  26 o 96.364  2.3946  1258.10   61.789    1218.19   86.951    1298.80   87.821    94.808  3.4241  97.920  3.3484  -3.111923      4.789156 
1 1 1 -5  11  27 o 40.063  1.9568  218.217   20.839    227.643   29.210    208.446   29.739    40.967  2.6767  39.159  2.8550  1.807922       3.913578 
1 1 1 -5  11  28 o 83.476  2.2975  946.838   51.363    954.704   72.255    938.803   73.027    83.838  3.2177  83.114  3.2803  0.7239990      4.595000 
1 1 1 -5  11  29 o 18.346  2.5185  47.532    11.922    43.170    16.828    51.927    16.892    17.447  3.7150  19.244  3.4015  -1.797476      5.036972 
1 1 1 -5  11  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  11  31 o 39.329  2.0456  211.920   21.373    198.501   29.752    226.229   30.723    38.020  2.9445  40.637  2.8405  -2.616375      4.091292 
1 1 1 -5  11  32 o 9.9822  2.5891  6.8814    10.288    21.896    14.750    -7.3431   14.356    12.544  3.9402  7.4203  3.3599  5.123936       5.178262 
1 1 1 -5  11  33 o 58.577  2.1402  474.598   33.465    496.180   46.989    452.385   47.672    60.027  2.9225  57.127  3.1274  2.900223       4.280439 
1 1 1 -5  11  34 o 28.300  2.2828  112.976   16.955    121.492   24.136    104.681   23.822    29.414  3.1106  27.185  3.3419  2.229025       4.565580 
1 1 1 -5  11  35 o 21.313  2.7483  67.026    15.036    77.785    21.234    56.207    21.293    23.233  3.5226  19.393  4.2194  3.840609       5.496534 
1 1 1 -5  11  36 o 23.724  2.6415  82.725    16.087    92.628    22.411    72.199    23.105    25.398  3.3782  22.050  4.0618  3.347923       5.283059 
1 1 1 -5  11  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  11  38 o 7.2029  2.3565  -10.3146  10.626    -7.9453   16.088    -12.1484  14.153    7.6893  3.5108  6.7166  3.1444  0.9727011      4.713069 
1 1 1 -5  11  39 o 8.4435  2.5526  -8.0817   11.672    14.581    17.011    -28.2460  16.046    10.871  4.1686  6.0160  2.9473  4.855031       5.105290 
1 1 1 -5  12  1  o 430.269 8.0039  24906.43  922.395   24669.30  1304.07   25143.85  1304.86   428.211 11.370  432.327 11.268  -4.116455      16.00780 
1 1 1 -5  12  2  o 125.991 2.7434  2127.24   92.571    2161.22   130.894   2093.24   130.937   126.998 3.8480  124.984 3.9113  2.014481       5.486805 
1 1 1 -5  12  3  o 212.341 4.1180  6047.01   234.204   6107.51   331.327   5986.60   331.101   213.404 5.7965  211.278 5.8508  2.125778       8.235992 
1 1 1 -5  12  4  o 346.166 6.4593  16111.41  598.882   15953.64  847.002   16269.13  846.893   344.465 9.1802  347.867 9.0892  -3.402832      12.91855 
1 1 1 -5  12  5  o 42.199  1.7433  239.372   19.619    241.282   27.876    237.497   27.616    42.367  2.4672  42.032  2.4637  0.3344231      3.486690 
1 1 1 -5  12  6  o 262.578 4.9859  9268.52   350.416   8866.79   495.443   9670.65   495.684   256.863 7.2012  268.293 6.8977  -11.42935      9.971736 
1 1 1 -5  12  7  o 258.931 4.9560  9014.88   343.718   8965.65   486.255   9064.05   485.927   258.221 7.0304  259.641 6.9873  -1.419464      9.912082 
1 1 1 -5  12  8  o 28.930  1.7216  112.921   13.206    118.852   18.847    107.200   18.510    29.686  2.3906  28.175  2.4780  1.510717       3.443167 
1 1 1 -5  12  9  o 199.673 3.8958  5358.07   208.351   5399.76   294.839   5316.49   294.466   200.451 5.4915  198.894 5.5274  1.556168       7.791580 
1 1 1 -5  12  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  12  11 o 333.640 6.3136  15081.00  564.157   15335.23  798.133   14827.15  797.543   336.481 8.8558  330.798 9.0012  5.682678       12.62722 
1 1 1 -5  12  12 o 255.453 4.9083  8805.54   335.830   8877.12   474.986   8733.98   474.884   256.499 6.9136  254.407 6.9690  2.091553       9.816576 
1 1 1 -5  12  13 o 47.712  1.8153  306.099   23.088    281.172   32.573    331.265   32.730    45.715  2.6718  49.709  2.4582  -3.994537      3.630609 
1 1 1 -5  12  14 o 127.803 2.7686  2193.52   94.764    2230.40   134.005   2156.63   134.027   128.881 3.8819  126.726 3.9486  2.155029       5.537170 
1 1 1 -5  12  15 o 242.033 4.6833  7908.02   303.585   7789.31   429.069   8027.03   429.600   240.200 6.6691  243.865 6.5770  -3.664627      9.366588 
1 1 1 -5  12  16 o 181.028 3.6082  4410.37   174.947   4366.74   247.193   4454.16   247.632   180.127 5.1235  181.928 5.0818  -1.801300      7.216307 
1 1 1 -5  12  17 o 124.736 2.7460  2090.42   91.727    2132.34   129.591   2048.34   129.853   125.993 3.8401  123.479 3.9262  2.514999       5.491913 
1 1 1 -5  12  18 o 41.342  1.8952  230.349   20.841    215.181   29.334    245.810   29.616    39.954  2.7580  42.730  2.6000  -2.775612      3.790312 
1 1 1 -5  12  19 o 40.138  1.8922  217.143   20.223    211.640   28.506    222.719   28.694    39.622  2.7022  40.655  2.6495  -1.033421      3.784379 
1 1 1 -5  12  20 o 40.917  1.9338  227.444   20.814    267.000   29.464    188.044   29.406    44.535  2.4799  37.298  2.9680  7.236622       3.867660 
1 1 1 -5  12  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  12  22 o 112.042 2.5644  1693.56   76.923    1747.59   108.558   1639.08   109.015   113.852 3.5599  110.233 3.6922  3.618790       5.128852 
1 1 1 -5  12  23 o 35.595  1.9196  171.530   18.159    173.514   25.501    169.489   25.864    35.810  2.6780  35.380  2.7509  0.4301262      3.839177 
1 1 1 -5  12  24 f 51.354  1.9642  356.522   26.915    359.428   37.901    353.566   38.228    51.570  2.7539  51.138  2.8016  0.4315414      3.928475 
1 1 1 -5  12  25 o 33.205  1.9492  149.726   17.173    144.620   24.000    155.084   24.584    32.618  2.7733  33.792  2.7398  -1.173206      3.898416 
1 1 1 -5  12  26 o 30.547  2.0283  127.208   16.396    122.959   22.906    131.671   23.478    30.017  2.8846  31.078  2.8523  -1.060385      4.056654 
1 1 1 -5  12  27 o 59.692  2.0314  482.487   32.476    478.034   45.570    487.083   46.295    59.414  2.8635  59.969  2.8821  -0.5553322     4.062792 
1 1 1 -5  12  28 o 40.874  2.0037  227.461   21.762    210.162   30.352    245.762   31.219    39.250  2.9078  42.498  2.7574  -3.248001      4.007319 
1 1 1 -5  12  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  12  30 o 30.132  2.1815  125.283   17.203    106.130   23.809    146.205   24.885    27.642  3.2797  32.622  2.8775  -4.979530      4.363047 
1 1 1 -5  12  31 o 31.834  2.1526  140.195   18.108    131.601   25.331    149.176   25.895    30.805  3.1127  32.863  2.9741  -2.057428      4.305158 
1 1 1 -5  12  32 o 56.315  2.1238  438.017   31.903    419.364   44.645    457.483   45.608    55.067  3.0386  57.563  2.9681  -2.496140      4.247677 
1 1 1 -5  12  33 o 7.3967  2.2921  -6.3768   9.4423    5.2977    12.936    -19.6888  13.814    8.7575  3.5472  6.0359  2.9040  2.721587       4.584289 
1 1 1 -5  12  34 o 19.712  2.8458  57.525    14.509    59.298    20.230    55.647    20.822    20.083  3.9014  19.340  4.1441  0.7427635      5.691622 
1 1 1 -5  12  35 o 28.684  2.3852  118.211   17.805    132.971   25.061    103.167   25.301    30.662  3.0938  26.706  3.6311  3.956160       4.770389 
1 1 1 -5  12  36 o 20.986  6.7941  75.786    43.589    0.0000    0.0000    75.786    43.589    ?       ?       20.986  6.7941  ?              ?        
1 1 1 -5  12  37 o 10.115  2.7709  4.2554    12.485    -16.3406  17.841    24.021    17.477    7.4016  3.4856  12.828  4.3084  -5.426557      5.541835 
1 1 1 -5  12  38 o 8.0740  2.5042  -3.0901   10.733    5.6436    15.276    -11.6053  15.084    9.1452  3.7954  7.0027  3.2678  2.142463       5.008319 
1 1 1 -5  13  1  f 287.348 5.4871  11090.26  422.246   11328.83  597.110   10851.64  597.183   290.448 7.6753  284.248 7.8437  6.200134       10.97427 
1 1 1 -5  13  2  o 414.845 7.7971  23202.81  865.875   22278.07  1223.71   24130.03  1225.35   406.514 11.239  423.177 10.811  -16.66336      15.59414 
1 1 1 -5  13  3  o 337.190 6.2804  15301.17  567.110   14951.56  801.775   15651.20  802.256   333.317 8.9806  341.063 8.7819  -7.745697      12.56078 
1 1 1 -5  13  4  o 45.709  1.7804  280.821   21.709    276.785   30.793    284.809   30.611    45.380  2.5437  46.038  2.4917  -0.6584663     3.560708 
1 1 1 -5  13  5  o 109.451 2.5068  1606.11   73.485    1592.83   104.173   1619.27   103.677   109.000 3.5681  109.902 3.5220  -0.9024353     5.013559 
1 1 1 -5  13  6  o 271.387 5.0772  9913.92   369.041   10052.89  522.296   9775.37   521.512   273.294 7.1350  269.479 7.2252  3.815796       10.15443 
1 1 1 -5  13  7  o 72.313  1.9931  701.049   38.598    690.578   54.746    711.399   54.428    71.776  2.8476  72.851  2.7893  -1.075325      3.986135 
1 1 1 -5  13  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  13  9  f 129.977 2.8284  2267.74   98.462    2304.38   139.387   2231.26   139.106   131.027 3.9717  128.928 4.0282  2.099655       5.656895 
1 1 1 -5  13  10 o 86.962  2.1888  1014.32   50.981    1005.67   72.256    1022.90   71.941    86.592  3.1154  87.332  3.0755  -0.7402802     4.377679 
1 1 1 -5  13  11 o 181.593 3.6747  4436.12   178.715   4361.32   252.787   4510.87   252.696   180.056 5.2415  183.131 5.1517  -3.074936      7.349383 
1 1 1 -5  13  12 o 161.095 3.2914  3488.51   142.020   3486.32   200.907   3490.70   200.784   161.044 4.6576  161.146 4.6518  -0.1017151     6.582749 
1 1 1 -5  13  13 o 149.755 3.1342  3014.23   125.700   3074.42   177.859   2954.17   177.675   151.253 4.3902  148.256 4.4743  2.997284       6.268405 
1 1 1 -5  13  14 o 180.660 3.6732  4392.75   177.738   4431.82   251.364   4353.68   251.355   181.467 5.1715  179.852 5.2178  1.614777       7.346382 
1 1 1 -5  13  15 f 72.780  2.0874  710.587   40.689    720.940   57.599    700.275   57.486    73.310  2.9334  72.250  2.9706  1.059822       4.174792 
1 1 1 -5  13  16 o 55.368  1.9413  411.804   28.727    397.088   40.527    426.665   40.727    54.336  2.7941  56.400  2.6959  -2.064575      3.882631 
1 1 1 -5  13  17 o 193.493 3.9024  5050.80   202.248   5061.04   285.842   5040.53   286.203   193.692 5.5097  193.294 5.5280  0.3975983      7.804807 
1 1 1 -5  13  18 o 219.255 4.3222  6509.64   253.671   6233.14   358.212   6787.80   359.281   214.536 6.2338  223.974 5.9889  -9.437622      8.644463 
1 1 1 -5  13  19 o 138.531 3.0107  2586.72   111.711   2590.87   157.724   2582.54   158.242   138.645 4.2472  138.417 4.2682  0.2275696      6.021324 
1 1 1 -5  13  20 o 29.578  2.3544  120.251   17.592    123.237   22.219    115.234   28.798    30.157  2.7822  28.999  3.7989  1.157654       4.708769 
1 1 1 -5  13  21 o 156.636 3.3013  3325.30   138.494   3370.75   195.568   3279.57   196.153   157.726 4.6292  155.547 4.7081  2.178833       6.602697 
1 1 1 -5  13  22 o 98.004  2.3944  1296.61   62.845    1312.63   88.589    1280.39   89.166    98.621  3.3537  97.387  3.4183  1.233086       4.788710 
1 1 1 -5  13  23 o 32.564  1.9459  143.812   16.804    137.319   23.416    150.707   24.128    31.797  2.7772  33.331  2.7265  -1.533165      3.891895 
1 1 1 -5  13  24 o 63.947  2.0657  553.380   35.308    591.155   49.760    515.073   50.109    66.170  2.8076  61.724  3.0309  4.445896       4.131437 
1 1 1 -5  13  25 o 40.040  1.9640  218.176   20.868    236.075   29.431    200.079   29.593    41.728  2.6469  38.352  2.9023  3.375881       3.928026 
1 1 1 -5  13  26 o 62.536  2.0510  529.854   34.347    538.124   48.353    521.432   48.797    63.037  2.8638  62.034  2.9368  1.003059       4.101930 
1 1 1 -5  13  27 o 41.461  1.9833  233.955   21.879    221.830   30.582    246.667   31.313    40.346  2.8483  42.576  2.7607  -2.230591      3.966621 
1 1 1 -5  13  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  13  29 o 75.203  2.2108  773.600   44.526    758.017   62.441    789.723   63.512    74.430  3.1321  75.976  3.1210  -1.546333      4.421566 
1 1 1 -5  13  30 f 25.288  2.3011  89.358    15.220    86.948    21.448    91.802    21.601    24.927  3.2930  25.649  3.2149  -0.7218018     4.602121 
1 1 1 -5  13  31 o 27.267  2.2978  104.305   16.428    108.963   23.119    99.554    23.348    27.928  3.1454  26.607  3.3505  1.321161       4.595600 
1 1 1 -5  13  32 o 12.403  2.8635  20.840    11.208    13.928    15.588    28.240    16.127    10.886  4.0299  13.919  4.0690  -3.033331      5.726907 
1 1 1 -5  13  33 o 25.002  2.4821  89.513    16.133    82.681    22.383    96.900    23.274    23.954  3.5999  26.050  3.4181  -2.096189      4.964118 
1 1 1 -5  13  34 o 38.175  2.1847  205.055   22.102    188.528   30.718    222.796   31.827    36.523  3.1715  39.827  3.0056  -3.303646      4.369477 
1 1 1 -5  13  35 o 28.307  3.6181  122.217   23.204    127.512   45.759    120.384   26.922    27.739  6.3021  28.874  3.5562  -1.134874      7.236216 
1 1 1 -5  13  36 o 34.404  2.3860  170.505   21.670    181.120   30.805    160.106   30.490    35.542  3.2726  33.266  3.4731  2.276680       4.772027 
1 1 1 -5  13  37 o 22.309  2.9172  78.173    16.517    105.080   23.304    51.009    23.415    26.834  3.3126  17.783  4.8028  9.050564       5.834394 
1 1 1 -5  14  1  o 186.817 3.6917  4683.17   184.709   4594.05   260.829   4772.82   261.608   185.031 5.2629  188.603 5.1786  -3.571609      7.383481 
1 1 1 -5  14  2  f 131.537 2.8088  2320.08   98.959    2320.02   139.849   2320.14   140.049   131.536 3.9694  131.539 3.9750  -0.2883911E-02 5.617550 
1 1 1 -5  14  3  o 83.814  2.1783  941.676   48.896    960.164   69.189    923.230   69.110    84.637  3.0520  82.992  3.1090  1.645149       4.356679 
1 1 1 -5  14  4  o 212.427 4.1708  6065.28   237.313   6086.45   335.816   6044.17   335.407   212.798 5.8917  212.056 5.9052  0.7422028      8.341685 
1 1 1 -5  14  5  o 373.786 6.9734  18928.44  697.901   18335.23  986.786   19522.12  987.177   367.859 10.015  379.713 9.7062  -11.85315      13.94675 
1 1 1 -5  14  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  14  7  o 194.732 7.8137  5122.63   407.554   5122.63   407.554   0.0000    0.0000    194.732 7.8137  ?       ?       ?              ?        
1 1 1 -5  14  8  o 318.716 6.0201  13754.37  513.916   13695.22  726.969   13813.46  726.603   318.023 8.5343  319.409 8.4930  -1.386810      12.04017 
1 1 1 -5  14  9  o 215.881 4.2542  6278.29   245.982   6217.27   348.022   6339.22   347.720   214.826 6.0482  216.936 5.9842  -2.110062      8.508357 
1 1 1 -5  14  10 o 186.697 3.6667  4689.41   183.355   4730.13   259.528   4648.83   259.079   187.509 5.1674  185.885 5.2036  1.624176       7.333426 
1 1 1 -5  14  11 o 54.643  1.9059  400.971   27.844    394.919   39.528    406.930   39.228    54.199  2.7317  55.088  2.6586  -0.8895149     3.811823 
1 1 1 -5  14  12 o 73.580  2.0965  726.862   41.269    687.374   58.432    766.165   58.295    71.581  3.0476  75.579  2.8796  -3.998108      4.192901 
1 1 1 -5  14  13 o 163.806 3.3686  3609.04   147.782   3549.01   208.996   3669.07   208.996   162.437 4.8036  165.174 4.7240  -2.736420      6.737212 
1 1 1 -5  14  14 o 38.335  1.8938  198.068   19.320    196.685   27.474    199.421   27.175    38.200  2.7027  38.470  2.6535  -0.2705002     3.787512 
1 1 1 -5  14  15 o 78.948  2.1038  836.867   44.435    885.360   62.959    788.737   62.723    81.232  2.8936  76.664  3.0545  4.568687       4.207528 
1 1 1 -5  14  16 f 142.164 3.0400  2719.51   115.755   2693.73   163.594   2745.35   163.812   141.487 4.3168  142.842 4.2816  -1.354538      6.080003 
1 1 1 -5  14  17 o 63.632  2.0193  543.787   34.404    559.883   48.603    527.623   48.707    64.579  2.8099  62.686  2.9009  1.893089       4.038654 
1 1 1 -5  14  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  14  19 o 100.124 2.4285  1349.99   65.111    1313.09   91.870    1387.23   92.293    98.743  3.4736  101.505 3.3946  -2.761856      4.856900 
1 1 1 -5  14  20 o 95.860  2.3752  1239.17   60.951    1282.92   86.050    1195.12   86.346    97.570  3.2926  94.149  3.4240  3.421585       4.750319 
1 1 1 -5  14  21 o 71.001  2.0974  679.432   39.856    644.124   56.013    715.642   56.724    69.124  3.0253  72.879  2.9058  -3.754944      4.194831 
1 1 1 -5  14  22 o 78.608  2.1735  834.393   45.748    804.357   64.333    865.117   65.066    77.169  3.1125  80.047  3.0347  -2.878311      4.347091 
1 1 1 -5  14  23 o 56.532  1.9818  432.163   29.953    437.715   42.165    426.507   42.556    56.940  2.7647  56.124  2.8401  0.8160172      3.963560 
1 1 1 -5  14  24 o 50.203  1.9851  341.816   26.587    344.314   37.585    339.315   37.613    50.390  2.7957  50.017  2.8191  0.3733864      3.970289 
1 1 1 -5  14  25 o 21.019  2.3377  61.890    12.584    72.832    17.809    50.979    17.783    23.000  2.9595  19.038  3.6196  3.961178       4.675452 
1 1 1 -5  14  26 o 43.128  1.9956  253.245   22.923    249.538   32.203    257.053   32.638    42.806  2.8246  43.450  2.8197  -0.6437569     3.991114 
1 1 1 -5  14  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  14  28 o 28.694  2.1691  113.800   16.403    115.161   22.927    112.373   23.478    28.889  3.0070  28.500  3.1269  0.3892498      4.338180 
1 1 1 -5  14  29 o 37.865  2.0927  197.420   21.033    185.571   29.323    209.977   30.185    36.670  3.0120  39.060  2.9060  -2.389755      4.185309 
1 1 1 -5  14  30 o 11.715  2.7391  16.335    11.080    30.009    15.600    2.4116    15.741    14.380  3.9355  9.0488  3.8107  5.331727       5.478145 
1 1 1 -5  14  31 o 32.009  2.2119  143.402   18.716    139.517   26.090    147.520   26.863    31.559  3.1276  32.459  3.1285  -0.8999920     4.423725 
1 1 1 -5  14  32 o 12.792  2.7004  19.516    11.584    41.922    17.194    0.8920    15.676    16.841  3.8901  8.7426  3.7465  8.098597       5.400843 
1 1 1 -5  14  33 o 6.2071  2.0700  -19.4138  9.6127    -3.7994   13.145    -37.3652  14.094    7.3913  3.2909  5.0228  2.5117  2.368468       4.139906 
1 1 1 -5  14  34 o 35.870  2.3265  183.370   22.060    192.135   30.911    174.273   31.491    36.829  3.1643  34.911  3.4114  1.917908       4.652993 
1 1 1 -5  14  35 o 16.998  3.1482  44.741    14.575    50.111    20.549    39.305    20.675    18.074  4.3061  15.922  4.5936  2.151201       6.296333 
1 1 1 -5  14  36 o 33.870  2.4096  167.035   21.404    144.682   29.710    191.155   30.863    31.338  3.6053  36.402  3.1978  -5.064232      4.819121 
1 1 1 -5  15  1  o 206.220 4.0606  5715.22   224.284   5746.92   316.882   5683.40   317.491   206.796 5.7209  205.645 5.7640  1.151459       8.121129 
1 1 1 -5  15  2  o 76.147  2.0377  777.312   41.560    780.423   58.621    774.167   58.930    76.301  2.8684  75.994  2.8951  0.3070984      4.075452 
1 1 1 -5  15  3  o 185.358 3.7139  4618.01   184.334   4748.94   260.805   4487.31   260.570   187.992 5.1795  182.723 5.3240  5.269119       7.427828 
1 1 1 -5  15  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  15  5  o 88.359  3.2535  1059.88   76.097    936.722   110.522   1170.90   104.930   83.335  4.9742  93.384  4.1951  -10.04887      6.506993 
1 1 1 -5  15  6  o 257.248 4.9717  8933.02   342.418   8636.80   484.337   9229.02   484.167   252.950 7.1487  261.546 6.9113  -8.595566      9.943299 
1 1 1 -5  15  7  o 207.701 4.0675  5808.65   226.286   5834.94   320.401   5782.49   319.634   208.171 5.7462  207.231 5.7585  0.9401398      8.135076 
1 1 1 -5  15  8  o 46.490  1.8359  290.613   22.766    299.693   32.468    281.832   31.930    47.208  2.5774  45.773  2.6152  1.435547       3.671872 
1 1 1 -5  15  9  o 223.504 4.3497  6734.98   260.388   6799.36   368.513   6670.78   367.976   224.577 6.1263  222.431 6.1764  2.145615       8.699409 
1 1 1 -5  15  10 o 126.142 2.7951  2137.01   94.436    2159.60   133.822   2114.61   133.284   126.807 3.9400  125.477 3.9658  1.330063       5.590244 
1 1 1 -5  15  11 o 208.578 4.1453  5864.00   231.568   5782.64   327.611   5945.23   327.361   207.123 5.9053  210.034 5.8190  -2.911407      8.290558 
1 1 1 -5  15  12 o 96.282  2.3616  1244.28   60.898    1233.19   86.331    1255.26   85.916    95.854  3.3626  96.710  3.3168  -0.8565140     4.723101 
1 1 1 -5  15  13 o 74.491  2.0634  744.464   41.163    761.864   58.394    727.278   58.034    75.357  2.8930  73.625  2.9429  1.732597       4.126739 
1 1 1 -5  15  14 o 139.773 2.9832  2627.53   111.681   2604.34   157.986   2650.69   157.896   139.154 4.2387  140.393 4.1989  -1.238480      5.966378 
1 1 1 -5  15  15 o 48.597  1.9119  318.447   24.727    293.817   35.016    342.944   34.922    46.704  2.8123  50.491  2.5910  -3.786922      3.823888 
1 1 1 -5  15  16 o 109.087 2.5429  1600.82   74.285    1639.86   105.118   1561.88   104.991   110.421 3.5542  107.753 3.6378  2.668282       5.085807 
1 1 1 -5  15  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  15  18 o 45.615  1.8891  280.610   22.976    286.279   32.545    274.978   32.442    46.078  2.6481  45.151  2.6949  0.9271965      3.778165 
1 1 1 -5  15  19 o 53.408  1.9433  384.338   27.741    395.204   39.305    373.552   39.158    54.200  2.7074  52.615  2.7885  1.585533       3.886649 
1 1 1 -5  15  20 o 83.778  2.2403  947.173   50.270    937.639   70.935    956.792   71.253    83.353  3.1772  84.204  3.1592  -0.8506241     4.480567 
1 1 1 -5  15  21 o 92.152  2.3489  1148.94   57.966    1119.01   81.759    1179.19   82.196    90.936  3.3567  93.369  3.2867  -2.432861      4.697843 
1 1 1 -5  15  22 o 61.702  2.0263  514.430   33.488    514.534   47.267    514.324   47.452    61.709  2.8597  61.694  2.8716  0.1485062E-01  4.052604 
1 1 1 -5  15  23 o 11.348  2.6752  16.490    9.6378    12.733    13.785    20.082    13.479    10.545  3.8078  12.150  3.7587  -1.604807      5.350430 
1 1 1 -5  15  24 o 39.772  2.0204  216.659   21.141    252.495   29.957    181.104   29.840    43.139  2.6048  36.405  3.0893  6.734432       4.040882 
1 1 1 -5  15  25 o 84.169  2.2956  965.348   51.723    997.973   72.958    932.380   73.340    85.627  3.1810  82.710  3.3105  2.916954       4.591109 
1 1 1 -5  15  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  15  27 o 14.109  2.7493  28.038    11.059    18.697    15.435    37.891    15.853    11.959  4.0487  16.260  3.7205  -4.301530      5.498527 
1 1 1 -5  15  28 o 14.039  2.9029  28.128    11.677    32.127    16.521    24.136    16.506    14.912  4.0373  13.166  4.1723  1.745434       5.805829 
1 1 1 -5  15  29 o 7.0248  2.1025  -8.5618   8.1711    9.1157    11.544    -26.3137  11.568    9.2130  3.4566  4.8367  2.3946  4.376234       4.205018 
1 1 1 -5  15  30 o 25.230  2.3510  90.090    15.496    88.100    21.602    92.199    22.242    24.943  3.3156  25.517  3.3339  -0.5746899     4.701934 
1 1 1 -5  15  31 o 13.466  2.9464  25.645    12.227    15.345    17.205    36.154    17.379    11.345  4.2271  15.586  4.1057  -4.241351      5.892793 
1 1 1 -5  15  32 o 14.812  2.9477  32.665    12.529    42.118    17.667    23.101    17.770    16.805  3.9854  12.818  4.3442  3.986965       5.895375 
1 1 1 -5  15  33 o 32.562  2.3831  151.621   20.411    165.266   29.010    138.242   28.725    34.119  3.2122  31.006  3.5212  3.112608       4.766257 
1 1 1 -5  15  34 o 23.464  2.7674  81.920    16.749    87.097    23.552    76.623    23.823    24.330  3.7332  22.598  4.0863  1.732328       5.534826 
1 1 1 -5  15  35 o 37.236  2.3343  200.779   23.029    203.538   32.259    197.912   32.886    37.550  3.2391  36.922  3.3621  0.6272888      4.668597 
1 1 1 -5  16  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  16  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  16  3  o 116.416 2.6320  1818.91   82.070    1815.06   116.022   1822.76   116.108   116.293 3.7248  116.540 3.7196  -0.2469406     5.263983 
1 1 1 -5  16  4  o 170.186 3.4483  3893.84   157.175   3947.62   222.421   3840.19   222.138   171.364 4.8458  169.008 4.9071  2.355957       6.896499 
1 1 1 -5  16  5  o 22.820  1.9559  71.226    11.601    61.481    16.430    80.914    16.382    21.204  2.9747  24.435  2.5402  -3.231182      3.911710 
1 1 1 -5  16  6  o 147.536 3.1212  2925.02   123.326   2987.74   174.832   2862.91   173.990   149.114 4.3774  145.958 4.4505  3.156555       6.242443 
1 1 1 -5  16  7  o 66.596  2.0078  594.724   35.808    609.896   50.957    579.925   50.328    67.435  2.8212  65.756  2.8575  1.678993       4.015507 
1 1 1 -5  16  8  o 283.728 5.3851  10896.20  409.238   10834.38  579.032   10957.89  578.469   282.914 7.6412  284.542 7.5901  -1.628143      10.77015 
1 1 1 -5  16  9  o 262.256 4.9901  9297.07   350.504   9435.09   496.119   9159.53   495.257   264.215 7.0103  260.296 7.1035  3.918579       9.980226 
1 1 1 -5  16  10 o 32.045  1.9847  139.449   16.758    124.156   23.896    154.248   23.507    30.275  2.9857  33.814  2.6157  -3.538929      3.969442 
1 1 1 -5  16  11 o 40.144  1.8721  217.005   20.014    222.856   28.568    211.366   28.046    40.679  2.6362  39.609  2.6589  1.069149       3.744243 
1 1 1 -5  16  12 o 240.875 4.6465  7847.10   299.764   7754.41   424.015   7939.71   423.846   239.438 6.6115  242.311 6.5305  -2.872955      9.292947 
1 1 1 -5  16  13 o 25.012  2.0151  85.084    13.252    82.844    18.850    87.273    18.633    24.675  2.9079  25.350  2.7905  -0.6749191     4.030240 
1 1 1 -5  16  14 o 105.092 2.4851  1485.16   69.910    1547.86   99.075    1422.98   98.662    107.309 3.4470  102.875 3.5806  4.434616       4.970110 
1 1 1 -5  16  15 o 93.052  3.4289  1179.58   84.602    1264.93   115.740   1081.67   123.974   96.829  4.4626  89.275  5.2072  7.553886       6.857806 
1 1 1 -5  16  16 o 129.248 3.4349  2254.77   113.297   2240.99   140.193   2280.70   192.362   128.883 4.0611  129.612 5.5410  -0.7291260     6.869823 
1 1 1 -5  16  17 o 78.265  2.1440  824.460   44.945    824.690   63.637    824.231   63.487    78.276  3.0353  78.255  3.0289  0.2095032E-01  4.288007 
1 1 1 -5  16  18 f 68.054  2.0441  623.741   37.256    634.706   52.765    612.840   52.612    68.653  2.8694  67.455  2.9119  1.198494       4.088147 
1 1 1 -5  16  19 o 104.702 2.5253  1483.46   70.820    1483.60   100.097   1483.32   100.211   104.707 3.5691  104.696 3.5735  0.1142883E-01  5.050571 
1 1 1 -5  16  20 o 77.354  2.1821  808.828   45.211    799.878   63.863    817.820   64.013    76.922  3.0996  77.787  3.0724  -0.8642883     4.364293 
1 1 1 -5  16  21 o 13.333  2.5731  24.611    9.7445    33.368    13.932    16.224    13.635    15.383  3.4646  11.284  3.8053  4.098357       5.146274 
1 1 1 -5  16  22 o 101.177 2.5064  1393.21   67.906    1426.73   95.894    1359.50   96.175    102.419 3.4956  99.934  3.5930  2.485519       5.012857 
1 1 1 -5  16  23 o 59.805  2.0639  485.644   32.983    505.248   46.677    466.095   46.613    61.064  2.8539  58.546  2.9823  2.517715       4.127813 
1 1 1 -5  16  24 o 41.770  2.0122  238.115   22.334    254.527   31.599    221.732   31.571    43.242  2.7424  40.297  2.9454  2.944607       4.024435 
1 1 1 -5  16  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  16  26 o 65.292  2.1607  583.739   37.741    614.479   53.275    552.769   53.474    67.059  2.9661  63.525  3.1427  3.533825       4.321357 
1 1 1 -5  16  27 o 26.687  2.3156  99.586    16.151    90.907    22.702    108.480   22.981    25.445  3.4174  27.930  3.1256  -2.484518      4.631136 
1 1 1 -5  16  28 o 14.187  2.8739  29.122    11.500    26.865    16.142    31.448    16.388    13.677  4.0899  14.697  4.0385  -1.020081      5.747773 
1 1 1 -5  16  29 o 40.075  2.1065  223.549   22.443    226.807   31.555    220.214   31.928    40.394  2.9366  39.757  3.0208  0.6362762      4.212976 
1 1 1 -5  16  30 o 42.121  2.1595  248.358   24.194    248.605   33.955    248.103   34.482    42.158  3.0272  42.084  3.0805  0.7432556E-01  4.318936 
1 1 1 -5  16  31 o 12.408  2.8956  19.731    12.068    6.7629    16.766    33.672    17.383    9.8152  4.0146  15.002  4.1738  -5.186370      5.791127 
1 1 1 -5  16  32 o 10.863  4.2491  12.256    17.937    0.0000    0.0000    12.256    17.937    ?       ?       10.863  4.2491  ?              ?        
1 1 1 -5  16  33 o 11.159  2.9823  14.408    12.480    7.6794    17.910    20.760    17.401    10.095  4.1414  12.222  4.2924  -2.127371      5.964588 
1 1 1 -5  16  34 o 31.298  2.3861  142.599   19.685    144.017   27.823    141.178   27.855    31.471  3.3524  31.125  3.3964  0.3460369      4.772208 
1 1 1 -5  17  1  o 98.070  2.3283  1290.57   61.103    1220.40   85.965    1362.23   86.868    95.371  3.3652  100.769 3.2185  -5.397575      4.656519 
1 1 1 -5  17  2  o 269.719 5.1789  9831.78   374.112   9671.91   528.659   9992.16   529.489   267.504 7.3783  271.933 7.2695  -4.429077      10.35785 
1 1 1 -5  17  3  o 200.413 3.9568  5409.21   212.354   5270.65   300.065   5548.23   300.564   197.829 5.6629  202.998 5.5278  -5.169159      7.913607 
1 1 1 -5  17  4  o 104.730 2.4446  1472.10   68.574    1461.30   97.003    1482.89   96.953    104.345 3.4708  105.115 3.4436  -0.7696152     4.889216 
1 1 1 -5  17  5  o 129.484 2.8010  2251.81   97.142    2268.72   137.641   2235.03   137.119   129.969 3.9538  128.999 3.9685  0.9697113      5.601920 
1 1 1 -5  17  6  o 328.058 6.2135  14622.42  545.904   14348.66  772.157   14895.99  771.892   324.943 8.8718  331.173 8.7019  -6.230530      12.42702 
1 1 1 -5  17  7  o 146.520 3.0929  2885.46   121.377   2920.45   172.071   2850.81   171.237   147.406 4.3582  145.634 4.3898  1.771927       6.185787 
1 1 1 -5  17  8  o 126.134 2.7856  2137.09   94.110    2155.82   133.469   2118.57   132.717   126.684 3.9334  125.584 3.9455  1.100151       5.571272 
1 1 1 -5  17  9  o 49.670  1.9099  331.899   25.311    329.685   35.963    334.073   35.630    49.503  2.7228  49.836  2.6790  -0.3329811     3.819758 
1 1 1 -5  17  10 o 106.642 2.5000  1528.05   71.371    1473.39   101.137   1582.26   100.730   104.736 3.6052  108.549 3.4645  -3.812660      5.000048 
1 1 1 -5  17  11 o 184.412 3.6620  4585.36   180.885   4599.49   256.115   4571.30   255.505   184.696 5.1771  184.128 5.1807  0.5677490      7.324092 
1 1 1 -5  17  12 o 47.625  1.9164  305.355   24.342    308.356   34.721    302.454   34.136    47.855  2.7200  47.395  2.7002  0.4598045      3.832706 
1 1 1 -5  17  13 f 105.098 2.4861  1486.04   69.963    1446.52   99.068    1525.36   98.819    103.697 3.5668  106.499 3.4642  -2.801926      4.972194 
1 1 1 -5  17  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  17  15 o 86.264  2.2570  1002.18   52.113    960.208   73.761    1044.01   73.636    84.451  3.2609  88.078  3.1213  -3.627457      4.513937 
1 1 1 -5  17  16 o 95.179  2.3671  1221.64   60.332    1193.14   85.350    1250.10   85.296    94.061  3.3877  96.296  3.3070  -2.234627      4.734178 
1 1 1 -5  17  17 o 105.879 2.5112  1515.35   71.211    1536.04   100.790   1494.74   100.625   106.606 3.5297  105.152 3.5727  1.454475       5.022303 
1 1 1 -5  17  18 o 40.592  1.9368  223.174   20.929    217.906   29.662    228.397   29.534    40.106  2.7783  41.077  2.6993  -0.9712830     3.873673 
1 1 1 -5  17  19 o 34.092  1.9468  157.839   17.622    159.636   25.225    156.126   24.629    34.279  2.7710  33.904  2.7354  0.3751640      3.893692 
1 1 1 -5  17  20 o 69.909  2.1377  662.936   39.874    594.115   56.208    732.658   56.575    66.212  3.1694  73.606  2.8696  -7.393921      4.275456 
1 1 1 -5  17  21 o 67.419  2.1078  615.905   38.060    607.435   53.790    624.396   53.860    66.950  2.9996  67.888  2.9620  -0.9382095     4.215546 
1 1 1 -5  17  22 o 34.759  2.0464  165.657   18.675    193.600   26.610    138.535   26.215    37.733  2.6496  31.786  3.1193  5.947302       4.092758 
1 1 1 -5  17  23 o 26.207  2.1747  94.614    14.958    100.491   21.473    89.073    20.849    27.021  3.0184  25.394  3.1316  1.627357       4.349483 
1 1 1 -5  17  24 o 30.454  3.0735  127.783   24.728    127.783   24.728    0.0000    0.0000    30.454  3.0735  ?       ?       ?              ?        
1 1 1 -5  17  25 o 61.103  2.1361  511.507   34.899    501.852   49.207    521.279   49.502    60.476  3.0476  61.731  2.9939  -1.255146      4.272128 
1 1 1 -5  17  26 o 32.463  2.1783  146.173   18.663    134.095   26.207    158.601   26.585    31.048  3.1970  33.877  2.9595  -2.828896      4.356517 
1 1 1 -5  17  27 o 20.786  2.5515  61.850    13.688    63.706    19.567    60.070    19.154    21.104  3.5901  20.467  3.6266  0.6371136      5.103063 
1 1 1 -5  17  28 o 29.770  2.3175  125.330   18.013    142.652   25.594    108.330   25.355    31.943  3.0276  27.597  3.5095  4.345690       4.634989 
1 1 1 -5  17  29 o 18.107  2.8892  49.007    13.900    34.001    19.467    64.613    19.853    15.103  4.4857  21.111  3.6426  -6.007914      5.778449 
1 1 1 -5  17  30 o 12.122  2.8300  18.358    11.672    32.849    16.793    4.8171    16.233    14.834  4.0930  9.4091  3.9093  5.425267       5.659972 
1 1 1 -5  17  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  17  32 o 9.5488  2.7730  3.9744    11.900    -5.9917   16.599    14.514    17.070    8.0586  3.6341  11.039  4.1895  -2.980394      5.546019 
1 1 1 -5  17  33 o 11.510  2.9772  16.698    12.258    25.196    17.956    9.2815    16.776    12.990  4.3671  10.030  4.0476  2.959581       5.954358 
1 1 1 -5  18  1  o 104.122 2.4436  1455.14   68.148    1458.65   96.050    1451.59   96.705    104.249 3.4398  103.995 3.4718  0.2547302      4.887270 
1 1 1 -5  18  2  o 169.206 3.4647  3852.00   156.975   3732.24   221.542   3972.75   222.452   166.555 4.9660  171.858 4.8326  -5.303558      6.929308 
1 1 1 -5  18  3  o 52.656  1.9058  372.821   26.788    373.394   37.695    372.237   38.077    52.699  2.6793  52.614  2.7111  0.8440781E-01  3.811686 
1 1 1 -5  18  4  o 109.475 2.5417  1609.21   74.514    1570.64   105.325   1647.85   105.434   108.158 3.6357  110.791 3.5529  -2.632957      5.083426 
1 1 1 -5  18  5  o 109.025 2.5566  1596.46   74.624    1542.26   105.601   1650.52   105.467   107.172 3.6787  110.879 3.5512  -3.707573      5.113149 
1 1 1 -5  18  6  o 142.753 3.0685  2740.00   117.299   2676.07   166.112   2803.59   165.660   141.085 4.3957  144.421 4.2825  -3.336578      6.136969 
1 1 1 -5  18  7  o 163.879 3.4351  3614.72   150.781   3597.93   213.574   3631.40   212.900   163.496 4.8770  164.261 4.8390  -0.7651062     6.870264 
1 1 1 -5  18  8  o 156.274 3.2641  3286.53   136.620   3335.61   193.664   3237.90   192.760   157.440 4.5925  155.109 4.6397  2.330750       6.528220 
1 1 1 -5  18  9  o 133.129 2.9614  2384.22   105.593   2370.37   149.704   2397.94   148.960   132.741 4.2106  133.517 4.1653  -0.7759399     5.922726 
1 1 1 -5  18  10 o 148.086 3.1655  2954.07   125.540   3022.53   177.979   2886.29   177.104   149.801 4.4357  146.370 4.5174  3.430557       6.331059 
1 1 1 -5  18  11 o 65.775  2.0482  581.120   36.078    577.398   51.396    584.735   50.657    65.565  2.9266  65.984  2.8662  -0.4191589     4.096381 
1 1 1 -5  18  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  18  13 o 182.644 3.7315  4526.81   182.531   4464.41   258.352   4589.00   257.925   181.368 5.3182  183.919 5.2357  -2.550797      7.462956 
1 1 1 -5  18  14 o 61.481  2.0201  508.488   33.263    517.444   47.331    499.749   46.755    62.016  2.8494  60.945  2.8642  1.071056       4.040120 
1 1 1 -5  18  15 o 38.199  1.9260  197.495   19.566    192.248   27.857    202.604   27.487    37.688  2.7792  38.710  2.6673  -1.022675      3.852059 
1 1 1 -5  18  16 o 57.517  1.9951  446.612   30.675    436.231   43.514    456.867   43.248    56.810  2.8689  58.224  2.7731  -1.413559      3.990137 
1 1 1 -5  18  17 o 12.889  2.5154  22.905    9.5667    11.384    13.749    33.718    13.320    10.281  3.7888  15.497  3.3097  -5.215736      5.030811 
1 1 1 -5  18  18 o 71.259  2.1124  687.059   40.297    662.402   57.044    711.620   56.933    69.969  3.0438  72.549  2.9298  -2.580002      4.224735 
1 1 1 -5  18  19 o 44.130  1.9800  264.415   23.279    261.558   33.124    267.203   32.722    43.886  2.8330  44.373  2.7669  -0.4869537     3.960064 
1 1 1 -5  18  20 o 45.197  1.9931  277.793   23.977    261.834   33.848    293.868   33.970    43.870  2.8969  46.524  2.7381  -2.654274      3.986135 
1 1 1 -5  18  21 o 56.712  2.0601  437.569   31.187    438.866   44.273    436.292   43.940    56.793  2.9203  56.630  2.9067  0.1630020      4.120278 
1 1 1 -5  18  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  18  23 o 34.740  2.1087  166.009   19.394    155.441   27.466    176.517   27.389    33.597  3.0867  35.882  2.8738  -2.285133      4.217403 
1 1 1 -5  18  24 o 53.824  2.0963  397.797   30.081    415.769   42.567    379.869   42.515    55.073  2.8959  52.576  3.0319  2.496277       4.192631 
1 1 1 -5  18  25 o 18.524  2.8103  49.907    13.571    60.059    19.323    40.026    19.063    20.505  3.6522  16.543  4.2724  3.962029       5.620617 
1 1 1 -5  18  26 o 11.367  2.7254  15.184    10.501    26.786    15.484    5.3043    14.288    13.617  3.9889  9.1160  3.7148  4.501039       5.450727 
1 1 1 -5  18  27 o 19.564  2.7889  57.660    14.251    84.498    20.286    31.511    20.024    24.453  3.1719  14.675  4.5880  9.778218       5.577713 
1 1 1 -5  18  28 f 18.063  2.8692  48.957    13.663    60.340    19.178    37.223    19.471    20.378  3.6475  15.748  4.4300  4.629423       5.738396 
1 1 1 -5  18  29 o 24.850  2.5741  89.926    16.408    104.772   23.179    75.015    23.230    27.133  3.2543  22.566  3.9892  4.566847       5.148177 
1 1 1 -5  18  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  18  31 o 15.460  3.1507  36.467    14.069    46.664    20.201    26.863    19.606    17.409  4.3456  13.511  4.5631  3.898689       6.301319 
1 1 1 -5  18  32 o 12.823  2.9759  22.474    12.755    38.060    18.582    8.5868    17.539    15.595  4.3065  10.052  4.1082  5.542991       5.951725 
1 1 1 -5  19  1  o 109.467 2.5369  1608.75   74.377    1578.98   104.716   1639.05   105.660   108.444 3.6051  110.490 3.5702  -2.046318      5.073808 
1 1 1 -5  19  2  o 69.677  2.0570  651.589   38.316    600.875   53.824    703.696   54.559    66.923  3.0027  72.431  2.8122  -5.507866      4.113985 
1 1 1 -5  19  3  o 148.496 3.1120  2964.94   123.751   2886.16   174.650   3044.37   175.372   146.509 4.4506  150.484 4.3509  -3.975403      6.224002 
1 1 1 -5  19  4  o 200.075 4.0337  5397.98   216.138   5503.36   305.746   5292.72   305.583   202.040 5.6498  198.111 5.7588  3.929855       8.067488 
1 1 1 -5  19  5  o 90.271  2.3384  1094.05   56.527    1123.90   80.085    1064.42   79.797    91.500  3.2677  89.041  3.3459  2.458916       4.676805 
1 1 1 -5  19  6  o 135.615 2.9562  2473.32   107.382   2474.69   152.079   2471.95   151.644   135.652 4.1856  135.579 4.1758  0.7386780E-01  5.912405 
1 1 1 -5  19  7  o 62.041  2.0090  517.134   33.338    486.272   47.218    547.809   47.075    60.190  2.9289  63.893  2.7507  -3.703499      4.018050 
1 1 1 -5  19  8  f 98.999  2.4582  1317.34   65.180    1313.45   92.491    1321.17   91.869    98.853  3.4932  99.146  3.4594  -0.2932205     4.916324 
1 1 1 -5  19  9  o 57.450  2.0105  443.981   30.871    435.658   43.992    452.056   43.332    56.880  2.8971  58.021  2.7883  -1.141266      4.020919 
1 1 1 -5  19  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  19  11 o 121.284 3.3234  1978.43   103.153   1950.65   127.812   2030.32   174.702   120.247 3.9683  122.320 5.3322  -2.073158      6.646819 
1 1 1 -5  19  12 o 126.153 2.8281  2149.98   95.551    2189.83   135.619   2110.70   134.646   127.320 3.9768  124.986 4.0220  2.333832       5.656123 
1 1 1 -5  19  13 o 76.264  2.1810  783.681   44.549    793.482   63.369    774.104   62.640    76.735  3.0831  75.792  3.0856  0.9431839      4.361959 
1 1 1 -5  19  14 o 32.860  1.9661  146.400   17.135    150.092   24.654    142.949   23.831    33.261  2.7932  32.458  2.7676  0.8028183      3.932109 
1 1 1 -5  19  15 o 35.087  1.9577  167.000   18.233    176.102   26.017    158.214   25.561    36.040  2.7150  34.133  2.8211  1.907558       3.915355 
1 1 1 -5  19  16 f 68.735  2.1244  638.893   39.104    626.702   55.479    650.930   55.125    68.075  3.0426  69.395  2.9657  -1.320152      4.248893 
1 1 1 -5  19  17 o 87.896  2.3415  1048.23   55.120    1036.30   78.176    1060.02   77.729    87.389  3.3399  88.403  3.2827  -1.014359      4.683017 
1 1 1 -5  19  18 o 74.941  2.2152  761.844   44.465    760.105   63.069    763.563   62.697    74.852  3.1458  75.030  3.1198  -0.1779633     4.430445 
1 1 1 -5  19  19 f 36.503  2.0172  181.689   19.558    179.414   27.919    183.883   27.407    36.267  2.8983  36.739  2.8064  -0.4722557     4.034378 
1 1 1 -5  19  20 o 70.128  2.1648  669.020   40.658    658.505   57.577    679.479   57.423    69.568  3.0899  70.688  3.0328  -1.119499      4.329626 
1 1 1 -5  19  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  19  22 o 39.446  2.0713  213.866   21.667    196.900   30.670    230.770   30.614    37.833  3.0526  41.059  2.8004  -3.225914      4.142565 
1 1 1 -5  19  23 o 52.437  2.1283  378.260   29.744    396.399   42.221    360.390   41.908    53.718  2.9457  51.156  3.0728  2.561771       4.256626 
1 1 1 -5  19  24 o 8.9256  2.5328  2.3844    10.110    -10.0978  14.630    13.793    13.987    7.1893  3.3067  10.662  3.8374  -3.472613      5.065619 
1 1 1 -5  19  25 o 18.709  2.7233  50.855    13.176    53.109    19.248    48.869    18.073    19.092  3.8959  18.327  3.8062  0.7653351      5.446607 
1 1 1 -5  19  26 o 17.514  2.9094  45.497    13.411    45.642    19.262    45.361    18.684    17.525  4.1648  17.503  4.0635  0.2266121E-01  5.818733 
1 1 1 -5  19  27 o 14.326  2.9294  30.276    11.976    35.459    17.087    25.270    16.791    15.427  4.0745  13.226  4.2101  2.200973       5.858871 
1 1 1 -5  19  28 f 14.735  3.0407  31.710    12.903    41.165    19.207    23.932    17.420    16.515  4.2998  12.955  4.3004  3.559854       6.081311 
1 1 1 -5  19  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  19  30 o 11.794  3.0714  18.213    12.790    16.686    18.389    19.644    17.801    11.566  4.3581  12.023  4.3290  -0.4568739     6.142739 
1 1 1 -5  19  31 o 23.649  2.8764  86.230    17.123    117.187   24.720    57.678    23.741    28.331  3.3206  18.968  4.6976  9.363144       5.752757 
1 1 1 -5  20  1  o 28.911  2.0850  115.244   15.435    85.907    21.820    144.625   21.837    25.079  3.3308  32.744  2.5089  -7.665205      4.169967 
1 1 1 -5  20  2  o 175.911 3.5454  4167.57   167.045   4125.05   235.775   4210.42   236.702   175.007 5.0298  176.815 4.9980  -1.808060      7.090762 
1 1 1 -5  20  3  o 130.028 2.8335  2272.88   98.683    2261.58   139.306   2284.27   139.814   129.703 4.0099  130.352 4.0044  -0.6497955     5.666982 
1 1 1 -5  20  4  o 67.006  2.0257  602.566   36.346    583.799   51.220    621.600   51.584    65.953  2.8995  68.058  2.8297  -2.105217      4.051453 
1 1 1 -5  20  5  o 103.029 2.4606  1426.67   67.885    1390.20   95.992    1463.16   96.017    101.707 3.5237  104.351 3.4353  -2.643730      4.921116 
1 1 1 -5  20  6  o 46.413  1.9486  290.207   24.114    292.246   34.116    288.170   34.090    46.577  2.7467  46.249  2.7646  0.3287582      3.897131 
1 1 1 -5  20  7  f 73.527  2.1320  726.442   41.985    719.291   59.451    733.557   59.301    73.165  3.0337  73.890  2.9963  -0.7249985     4.263934 
1 1 1 -5  20  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  20  9  o 202.345 5.9076  5670.70   319.787   5482.24   458.252   5849.60   446.472   198.869 8.6030  205.821 8.0987  -6.951965      11.81523 
1 1 1 -5  20  10 o 38.502  1.9525  200.516   19.987    193.863   28.445    207.004   28.091    37.860  2.8254  39.145  2.6956  -1.285416      3.905019 
1 1 1 -5  20  11 o 24.368  2.2041  83.362    13.499    59.828    19.251    106.132   18.935    20.760  3.5921  27.977  2.5550  -7.217224      4.408104 
1 1 1 -5  20  12 o 105.648 2.5706  1509.78   72.736    1537.59   103.282   1482.41   102.452   106.619 3.6166  104.677 3.6541  1.941391       5.141228 
1 1 1 -5  20  13 o 67.231  2.1248  610.142   38.259    614.479   54.491    605.925   53.730    67.464  3.0155  66.997  2.9942  0.4674225      4.249532 
1 1 1 -5  20  14 o 61.052  2.0661  503.479   33.782    515.680   48.049    491.552   47.506    61.787  2.9033  60.318  2.9405  1.469364       4.132284 
1 1 1 -5  20  15 o 46.235  1.9945  290.036   24.574    284.509   34.960    295.433   34.549    45.788  2.8649  46.681  2.7757  -0.8925552     3.989008 
1 1 1 -5  20  16 o 66.353  2.1460  596.487   38.121    622.122   54.232    571.450   53.595    67.774  2.9874  64.932  3.0816  2.841995       4.291988 
1 1 1 -5  20  17 o 49.623  2.0317  334.582   26.867    352.832   38.359    317.007   37.644    50.969  2.8208  48.278  2.9249  2.690704       4.063451 
1 1 1 -5  20  18 f 66.273  2.1538  596.911   38.225    584.774   54.134    608.981   53.983    65.590  3.0813  66.957  3.0100  -1.366394      4.307559 
1 1 1 -5  20  19 o 13.137  3.0222  22.496    11.942    27.276    19.318    19.539    15.192    14.121  4.5179  12.152  4.0152  1.969112       6.044306 
1 1 1 -5  20  20 o 10.252  2.6053  11.901    9.3331    6.7048    13.330    16.898    13.072    9.2117  3.6443  11.293  3.7241  -2.081442      5.210619 
1 1 1 -5  20  21 o 15.786  2.8237  36.046    11.975    32.713    17.202    39.180    16.680    15.075  4.1356  16.498  3.8457  -1.423024      5.647346 
1 1 1 -5  20  22 o 18.614  2.7380  50.176    13.200    45.287    18.961    54.772    18.386    17.649  4.0909  19.579  3.6401  -1.929686      5.475929 
1 1 1 -5  20  23 o 13.952  2.8765  27.194    11.879    39.069    17.291    16.579    16.347    16.350  3.9846  11.554  4.1497  4.796029       5.752961 
1 1 1 -5  20  24 o 18.530  2.8045  50.299    13.485    51.004    19.608    49.666    18.575    18.628  4.0457  18.432  3.8849  0.1962833      5.608980 
1 1 1 -5  20  25 o 18.961  2.8282  53.039    13.912    51.559    19.675    54.518    19.674    18.670  4.0508  19.251  3.9480  -0.5807285     5.656467 
1 1 1 -5  20  26 o 30.776  2.3753  134.714   19.251    133.399   27.578    135.965   26.887    30.594  3.4241  30.958  3.2931  -0.3641186     4.750644 
1 1 1 -5  20  27 o 35.861  2.2819  182.291   21.647    192.247   30.525    172.218   30.704    36.919  3.1159  34.804  3.3344  2.115135       4.563717 
1 1 1 -5  20  28 o 26.556  2.5709  102.731   17.745    94.535    25.117    110.897   25.072    25.381  3.8125  27.731  3.4500  -2.350203      5.141749 
1 1 1 -5  20  29 o 16.127  3.1209  40.319    13.873    42.818    20.017    38.010    19.245    16.595  4.4232  15.659  4.4041  0.9359436      6.241807 
1 1 1 -5  21  1  o 66.499  2.0073  593.399   35.743    573.880   50.233    613.416   50.869    65.390  2.8681  67.608  2.8091  -2.217888      4.014593 
1 1 1 -5  21  2  f 45.144  1.9520  275.280   23.350    311.219   33.221    240.187   32.828    48.091  2.5886  42.198  2.9224  5.893341       3.904012 
1 1 1 -5  21  3  o 100.041 2.4347  1345.51   65.230    1367.76   92.083    1323.09   92.415    100.876 3.4080  99.207  3.4778  1.668533       4.869304 
1 1 1 -5  21  4  f 46.556  1.9317  292.188   23.968    301.792   33.764    282.433   34.028    47.336  2.6740  45.776  2.7886  1.560135       3.863452 
1 1 1 -5  21  5  o 186.233 3.7910  4696.92   189.101   4700.47   267.437   4693.36   267.422   186.304 5.3593  186.162 5.3631  0.1424255      7.581921 
1 1 1 -5  21  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  21  7  o 101.285 2.4984  1383.19   67.692    1469.54   96.053    1297.98   95.411    104.445 3.4335  98.125  3.6302  6.319618       4.996703 
1 1 1 -5  21  8  o 91.328  2.3494  1124.07   57.466    1147.08   81.561    1101.39   80.980    92.260  3.3005  90.397  3.3445  1.863678       4.698865 
1 1 1 -5  21  9  o 64.103  2.0646  553.862   35.413    526.671   50.179    580.841   49.984    62.525  2.9963  65.681  2.8412  -3.156425      4.129198 
1 1 1 -5  21  10 o 38.076  1.9797  196.388   20.013    211.254   28.551    182.029   28.060    39.513  2.7142  36.639  2.8826  2.874062       3.959318 
1 1 1 -5  21  11 o 68.045  2.1361  625.018   38.925    640.869   55.397    609.559   54.707    68.900  3.0018  67.189  3.0398  1.710999       4.272151 
1 1 1 -5  21  12 o 54.337  2.0280  400.012   29.393    386.853   41.749    412.944   41.389    53.436  2.9281  55.239  2.8066  -1.802998      4.055933 
1 1 1 -5  21  13 o 37.523  2.0181  191.304   20.059    212.376   28.802    171.456   27.953    39.562  2.7348  35.483  2.9685  4.079243       4.036198 
1 1 1 -5  21  14 o 74.546  2.2132  753.184   44.185    770.475   62.926    736.368   62.056    75.393  3.1161  73.698  3.1437  1.695488       4.426368 
1 1 1 -5  21  15 o 53.430  2.0471  387.754   29.186    392.348   41.554    383.281   41.001    53.743  2.8975  53.118  2.8927  0.6251106      4.094252 
1 1 1 -5  21  16 o 25.468  2.2549  89.967    14.647    114.466   21.207    67.625    20.253    28.939  2.7698  21.997  3.5591  6.942768       4.509849 
1 1 1 -5  21  17 f 38.601  2.1008  204.158   21.311    242.191   30.637    168.510   29.662    42.173  2.7268  35.029  3.1967  7.144363       4.201696 
1 1 1 -5  21  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  21  19 o 26.501  2.2645  97.678    15.706    91.034    22.291    104.227   22.132    25.553  3.3365  27.449  3.0625  -1.895523      4.528899 
1 1 1 -5  21  20 o 49.620  2.1114  338.389   27.925    348.331   39.955    328.894   39.045    50.338  2.9766  48.901  2.9954  1.437206       4.222814 
1 1 1 -5  21  21 o 16.478  2.8004  38.234    12.736    59.162    19.066    21.369    17.115    20.344  3.6322  12.612  4.2634  7.732295       5.600860 
1 1 1 -5  21  22 o 27.489  2.3511  106.927   16.804    93.074    23.820    120.653   23.710    25.583  3.5736  29.395  3.0561  -3.811737      4.702175 
1 1 1 -5  21  23 o 17.514  2.8288  45.795    13.287    61.930    18.786    29.644    18.796    20.759  3.5032  14.268  4.4425  6.491085       5.657580 
1 1 1 -5  21  24 o 39.870  2.2025  222.959   23.330    228.432   33.341    217.710   32.656    40.355  3.1084  39.385  3.1211  0.9704094      4.404958 
1 1 1 -5  21  25 o 10.857  2.8984  13.208    11.644    17.595    16.462    8.8158    16.473    11.633  4.1657  10.082  4.0311  1.550919       5.796780 
1 1 1 -5  21  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  21  27 o 26.081  2.6708  100.090   17.945    85.665    25.215    114.892   25.543    23.961  4.0747  28.200  3.4539  -4.238342      5.341587 
1 1 1 -5  21  28 o 22.434  2.8788  78.127    16.321    48.497    22.925    108.581   23.242    17.458  4.7680  27.410  3.2275  -9.952768      5.757620 
1 1 1 -5  22  1  o 101.225 2.4052  1377.91   65.208    1368.00   91.680    1388.06   92.765    100.857 3.3937  101.592 3.4091  -0.7350388     4.810313 
1 1 1 -5  22  2  o 78.631  2.1820  831.113   45.947    810.605   64.714    851.960   65.247    77.650  3.1115  79.611  3.0598  -1.961121      4.363942 
1 1 1 -5  22  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  22  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  22  5  o 70.813  2.1030  674.832   39.884    661.852   56.320    687.890   56.489    70.128  2.9984  71.499  2.9496  -1.371780      4.206025 
1 1 1 -5  22  6  o 93.795  2.3988  1186.64   60.257    1210.55   85.317    1162.84   85.115    94.744  3.3620  92.846  3.4226  1.897697       4.797602 
1 1 1 -5  22  7  o 105.872 2.5434  1514.90   72.107    1556.32   102.214   1473.87   101.738   107.323 3.5557  104.420 3.6375  2.903137       5.086737 
1 1 1 -5  22  8  o 29.343  2.0263  117.158   15.714    117.192   22.593    117.125   21.870    29.340  2.9134  29.347  2.8169  -0.7129669E-02 4.052523 
1 1 1 -5  22  9  o 17.748  2.4942  44.133    11.439    43.735    16.186    44.530    16.169    17.663  3.5444  17.833  3.5100  -0.1690540     4.988343 
1 1 1 -5  22  10 o 48.387  1.9930  317.284   25.706    307.325   36.412    327.180   36.295    47.618  2.8683  49.157  2.7679  -1.539059      3.986004 
1 1 1 -5  22  11 o 18.446  2.4841  47.691    11.825    47.377    16.676    48.009    16.771    18.383  3.5148  18.508  3.5114  -0.1252403     4.968265 
1 1 1 -5  22  12 o 53.837  2.0394  393.248   29.299    398.710   41.666    387.905   41.208    54.209  2.8800  53.465  2.8882  0.7435226      4.078754 
1 1 1 -5  22  13 o 18.576  2.6061  49.172    12.477    39.982    17.903    57.851    17.399    16.767  4.0352  20.386  3.2992  -3.618679      5.212229 
1 1 1 -5  22  14 o 56.748  2.1081  438.039   31.919    454.472   45.532    422.161   44.757    57.806  2.9506  55.690  3.0117  2.115932       4.216188 
1 1 1 -5  22  15 o 66.422  2.1784  600.008   38.737    627.037   55.310    573.984   54.271    67.903  3.0410  64.941  3.1200  2.962029       4.356887 
1 1 1 -5  22  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  22  17 o 67.347  2.1845  620.176   39.392    606.444   56.006    633.621   55.417    66.587  3.1402  68.108  3.0378  -1.521301      4.369083 
1 1 1 -5  22  18 o 29.554  2.2668  121.302   17.641    119.049   25.294    123.435   24.615    29.258  3.2844  29.849  3.1251  -0.5912895     4.533569 
1 1 1 -5  22  19 f 72.649  2.3134  728.344   45.014    736.748   63.963    720.098   63.359    73.066  3.2683  72.232  3.2748  0.8346024      4.626712 
1 1 1 -5  22  20 o 27.394  2.3255  105.370   16.716    105.561   23.948    105.189   23.344    27.402  3.3315  27.385  3.2456  0.1646233E-01  4.651075 
1 1 1 -5  22  21 o 16.165  2.8066  38.620    13.297    14.665    18.960    61.812    18.655    11.555  4.4081  20.774  3.4753  -9.219537      5.613283 
1 1 1 -5  22  22 o 30.086  2.3731  128.391   18.767    123.727   26.894    132.818   26.200    29.492  3.4710  30.681  3.2370  -1.189503      4.746168 
1 1 1 -5  22  23 o 42.975  2.2546  260.117   25.607    294.651   36.611    227.042   35.830    45.905  2.9940  40.045  3.3719  5.860435       4.509254 
1 1 1 -5  22  24 o 28.554  2.4715  116.889   18.410    130.513   26.366    103.927   25.717    30.295  3.3027  26.813  3.6777  3.482006       4.943029 
1 1 1 -5  22  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  22  26 o 39.689  2.3532  226.355   24.695    207.869   35.072    244.533   34.779    37.940  3.4903  41.438  3.1572  -3.497841      4.706435 
1 1 1 -5  22  27 o 30.344  2.5179  135.527   19.964    150.185   28.423    121.254   28.047    32.130  3.3521  28.557  3.7580  3.573267       5.035772 
1 1 1 -5  23  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  23  2  o 117.202 2.7073  1854.49   84.978    1815.12   119.679   1894.54   120.682   115.941 3.8538  118.463 3.8034  -2.521835      5.414599 
1 1 1 -5  23  3  o 25.550  2.1186  89.107    14.221    88.489    20.226    89.711    19.999    25.457  3.0256  25.644  2.9663  -0.1870861     4.237116 
1 1 1 -5  23  4  o 6.9071  2.0452  -6.4359   7.4855    8.2919    10.610    -21.0320  10.562    8.9462  3.3222  4.8681  2.3863  4.078048       4.090412 
1 1 1 -5  23  5  o 95.472  2.4101  1231.75   61.618    1199.84   86.950    1263.94   87.333    94.221  3.4454  96.724  3.3710  -2.502953      4.820148 
1 1 1 -5  23  6  o 39.790  1.9565  214.445   20.722    211.729   29.221    217.192   29.389    39.534  2.7772  40.046  2.7567  -0.5123253     3.913062 
1 1 1 -5  23  7  o 35.273  1.9962  169.263   18.622    151.589   26.212    187.275   26.461    33.374  2.9631  37.172  2.6756  -3.797901      3.992352 
1 1 1 -5  23  8  o 63.241  2.0758  540.583   35.153    556.412   49.877    524.959   49.551    64.167  2.9020  62.314  2.9688  1.853020       4.151549 
1 1 1 -5  23  9  o 44.756  1.9961  272.014   23.787    261.921   33.806    281.911   33.476    43.916  2.8902  45.596  2.7540  -1.680176      3.992157 
1 1 1 -5  23  10 o 26.060  2.1894  93.382    14.943    86.047    21.031    100.861   21.237    24.986  3.2172  27.135  2.9705  -2.148706      4.378833 
1 1 1 -5  23  11 o 39.359  2.0301  210.868   21.251    216.549   30.215    205.308   29.894    39.892  2.8465  38.826  2.8954  1.065189       4.060241 
1 1 1 -5  23  12 f 35.020  2.0791  167.492   19.307    175.855   27.484    159.345   27.129    35.902  2.8824  34.138  2.9972  1.763767       4.158296 
1 1 1 -5  23  13 f 56.722  2.0926  438.254   31.681    442.286   45.073    434.318   44.538    56.979  2.9636  56.465  2.9552  0.5141792      4.185167 
1 1 1 -5  23  14 o 33.755  3.1086  156.575   27.789    0.0000    0.0000    156.575   27.789    ?       ?       33.755  3.1086  ?              ?        
1 1 1 -5  23  15 o 26.217  2.3523  95.594    16.050    83.968    22.359    107.953   23.053    24.495  3.5081  27.939  3.1346  -3.444077      4.704516 
1 1 1 -5  23  16 o 12.165  2.8835  19.045    11.261    25.430    16.288    13.197    15.588    13.460  4.1264  10.869  4.0287  2.591146       5.766953 
1 1 1 -5  23  17 o 54.792  2.1672  414.012   31.637    392.250   44.886    435.495   44.599    53.309  3.1576  56.275  2.9693  -2.966114      4.334430 
1 1 1 -5  23  18 o 46.466  2.1878  299.995   26.951    271.954   38.378    327.278   37.856    44.222  3.2631  48.709  2.9150  -4.487213      4.375518 
1 1 1 -5  23  19 o 40.674  2.1926  231.015   23.609    210.233   33.558    251.381   33.221    38.766  3.2623  42.582  2.9305  -3.816170      4.385228 
1 1 1 -5  23  20 o 39.749  2.2349  221.203   23.575    233.867   33.676    209.030   33.016    40.905  3.0965  38.593  3.2234  2.312157       4.469787 
1 1 1 -5  23  21 o 43.233  2.2840  264.448   25.999    226.963   36.938    301.248   36.599    39.997  3.4827  46.469  2.9558  -6.471874      4.567932 
1 1 1 -5  23  22 o 9.4172  2.7668  4.6440    11.529    6.9436    16.316    2.3506    16.294    9.7566  3.9720  9.0778  3.8529  0.6787519      5.533666 
1 1 1 -5  23  23 o 12.887  3.3992  21.290    16.803    -26.8914  38.762    32.438    18.645    11.063  5.1870  14.710  4.3948  -3.647415      6.798478 
1 1 1 -5  23  24 o 29.891  2.6415  130.858   20.416    110.689   28.868    151.038   28.877    27.330  4.0675  32.453  3.3712  -5.123028      5.283000 
1 1 1 -5  23  25 o 12.620  3.0616  22.415    12.816    30.173    18.153    14.705    18.097    14.070  4.3635  11.171  4.2958  2.899634       6.123216 
1 1 1 -5  24  1  o 45.959  1.9331  285.470   23.679    288.778   33.143    282.021   33.844    46.239  2.6877  45.679  2.7793  0.5593758      3.866297 
1 1 1 -5  24  2  f 64.323  2.0477  557.771   35.278    553.752   49.721    561.846   50.063    64.090  2.8964  64.557  2.8953  -0.4668884     4.095330 
1 1 1 -5  24  3  f 69.890  2.1234  659.345   39.749    662.209   56.040    656.444   56.388    70.046  2.9869  69.735  3.0189  0.3113785      4.246830 
1 1 1 -5  24  4  o 34.959  1.9806  166.080   18.360    155.608   25.940    176.592   25.990    33.831  2.8904  36.086  2.7087  -2.255257      3.961210 
1 1 1 -5  24  5  o 97.174  2.4567  1280.73   63.938    1295.73   90.332    1265.67   90.513    97.753  3.4500  96.595  3.4984  1.157631       4.913404 
1 1 1 -5  24  6  o 75.538  2.1978  772.829   44.450    798.176   62.868    747.492   62.855    76.791  3.0565  74.286  3.1590  2.504898       4.395627 
1 1 1 -5  24  7  o 52.032  2.0153  367.302   27.977    362.274   39.566    372.329   39.564    51.670  2.8702  52.394  2.8297  -0.7237930     4.030509 
1 1 1 -5  24  8  o 72.665  2.2085  716.297   42.976    733.342   60.881    699.367   60.674    73.536  3.0910  71.794  3.1552  1.742424       4.416945 
1 1 1 -5  24  9  o 69.025  2.1564  646.524   39.866    642.206   56.499    650.806   56.261    68.791  3.0663  69.260  3.0327  -0.4690170     4.312753 
1 1 1 -5  24  10 o 104.881 2.6138  1504.18   73.419    1531.16   104.017   1477.40   103.645   105.834 3.6694  103.928 3.7233  1.906044       5.227531 
1 1 1 -5  24  11 o 96.382  2.5304  1271.28   65.278    1331.29   92.648    1212.13   91.991    98.683  3.5051  94.082  3.6505  4.600967       5.060834 
1 1 1 -5  24  12 o 46.325  2.4952  300.225   29.396    278.606   48.078    313.133   37.148    44.758  4.0543  47.891  2.9098  -3.132256      4.990433 
1 1 1 -5  24  13 o 48.368  5.1077  333.539   65.170    333.539   65.170    0.0000    0.0000    48.368  5.1077  ?       ?       ?              ?        
1 1 1 -5  24  14 o 22.200  2.5312  69.687    14.461    60.406    20.261    79.322    20.645    20.586  3.8151  23.814  3.3275  -3.228043      5.062378 
1 1 1 -5  24  15 o 15.256  2.9294  33.410    12.738    21.449    17.942    45.567    18.088    12.749  4.3650  17.763  3.9080  -5.013307      5.858818 
1 1 1 -5  24  16 o 34.492  2.2225  165.369   20.303    161.137   28.628    169.651   28.797    34.031  3.1774  34.953  3.1084  -0.9218292     4.444972 
1 1 1 -5  24  17 o 20.899  2.7004  63.059    14.553    59.528    20.372    66.738    20.796    20.259  3.8957  21.538  3.7405  -1.279179      5.400712 
1 1 1 -5  24  18 o 26.661  2.4810  102.499   16.940    84.185    24.385    119.579   23.550    24.110  3.9100  29.213  3.0549  -5.102953      4.961922 
1 1 1 -5  24  19 o 13.855  3.1118  27.767    13.012    30.797    18.577    24.849    18.231    14.458  4.4019  13.251  4.3995  1.207151       6.223531 
1 1 1 -5  24  20 o 18.305  3.0103  50.474    14.522    44.293    20.853    56.294    20.235    17.106  4.4932  19.504  4.0074  -2.397696      6.020676 
1 1 1 -5  24  21 o 29.060  2.4317  120.805   18.557    119.915   26.420    121.672   26.071    28.933  3.4789  29.188  3.3984  -0.2555981     4.863335 
1 1 1 -5  24  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  24  23 o 9.9978  2.8671  7.6635    12.219    1.0540    17.880    13.456    16.738    9.1918  3.9707  10.804  4.1370  -1.612047      5.734207 
1 1 1 -5  24  24 o 10.027  2.8330  6.7798    12.314    19.114    17.342    -5.7621   17.487    11.801  4.2693  8.2531  3.7252  3.547749       5.666064 
1 1 1 -5  25  1  o 63.844  2.0385  550.305   34.854    541.865   48.793    559.097   49.804    63.346  2.8757  64.343  2.8899  -0.9967308     4.076901 
1 1 1 -5  25  2  o 20.070  2.3052  56.228    11.901    62.059    16.604    50.068    17.065    21.219  3.0056  18.921  3.4961  2.297966       4.610443 
1 1 1 -5  25  3  o 56.313  1.9746  428.967   29.722    414.133   41.711    444.269   42.363    55.282  2.8264  57.343  2.7581  -2.061203      3.949169 
1 1 1 -5  25  4  o 16.163  2.5894  36.917    11.076    47.839    15.946    26.735    15.396    18.499  3.3412  13.827  3.9568  4.672639       5.178762 
1 1 1 -5  25  5  o 45.535  2.0062  281.919   24.304    262.725   34.294    301.287   34.449    43.950  2.9300  47.121  2.7413  -3.171246      4.012437 
1 1 1 -5  25  6  o 104.813 2.5929  1499.33   72.753    1555.50   102.916   1443.22   102.861   106.812 3.5973  102.814 3.7352  3.998352       5.185711 
1 1 1 -5  25  7  o 46.655  2.0291  296.214   25.220    284.614   35.585    307.920   35.748    45.720  2.9211  47.589  2.8171  -1.868637      4.058146 
1 1 1 -5  25  8  o 62.501  2.0995  530.692   35.132    512.753   49.625    548.718   49.745    61.428  3.0161  63.574  2.9213  -2.146172      4.198904 
1 1 1 -5  25  9  o 54.062  2.0972  398.607   30.250    401.037   42.712    396.161   42.850    54.232  2.9515  53.891  2.9801  0.3408508      4.194317 
1 1 1 -5  25  10 o 44.328  4.8131  277.700   56.229    0.0000    0.0000    277.700   56.229    ?       ?       44.328  4.8131  ?              ?        
1 1 1 -5  25  11 o 11.025  4.0549  13.773    15.736    13.773    15.736    0.0000    0.0000    11.025  4.0549  ?       ?       ?              ?        
1 1 1 -5  25  12 o 50.226  2.1307  346.394   28.532    350.381   40.475    342.457   40.226    50.518  3.0048  49.935  3.0218  0.5833168      4.261461 
1 1 1 -5  25  13 o 30.455  2.2502  129.487   17.890    109.952   25.223    149.262   25.377    28.021  3.4325  32.889  2.9108  -4.868347      4.500480 
1 1 1 -5  25  14 o 12.461  2.9668  20.452    11.954    26.822    16.925    14.111    16.887    13.722  4.2064  11.200  4.1849  2.521797       5.933543 
1 1 1 -5  25  15 o 9.1133  2.6378  4.9682    10.252    6.1188    14.112    3.6825    14.918    9.2123  3.7142  9.0143  3.7466  0.1979618      5.275626 
1 1 1 -5  25  16 o 42.850  2.1970  256.347   25.001    273.681   35.497    239.284   35.218    44.350  3.0060  41.350  3.2048  2.999073       4.393913 
1 1 1 -5  25  17 o 37.282  2.2731  195.518   22.420    211.978   31.966    179.580   31.454    38.901  3.0934  35.662  3.3315  3.239395       4.546232 
1 1 1 -5  25  18 f 14.897  3.1529  33.063    13.562    33.894    19.252    32.245    19.108    15.064  4.4578  14.731  4.4599  0.3336754      6.305736 
1 1 1 -5  25  19 o 10.551  2.9107  11.330    11.853    11.123    17.512    11.505    16.102    10.643  4.1877  10.458  4.0438  0.1847219      5.821450 
1 1 1 -5  25  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  25  21 o 19.255  3.0430  57.359    15.812    81.921    22.519    33.472    22.207    23.649  3.6743  14.862  4.8518  8.787202       6.086057 
1 1 1 -5  25  22 o 12.924  3.1013  22.599    13.458    10.868    18.387    36.134    19.751    10.601  4.2518  15.247  4.5160  -4.645504      6.202583 
1 1 1 -5  26  1  o 56.430  1.9780  430.724   29.894    425.569   41.944    436.046   42.616    56.088  2.7920  56.772  2.8025  -0.6840286     3.955923 
1 1 1 -5  26  2  o 12.497  2.6222  21.642    9.5390    25.798    13.127    16.991    13.886    13.521  3.5714  11.472  3.8404  2.049236       5.244335 
1 1 1 -5  26  3  o 69.612  2.1497  657.494   40.081    655.393   56.421    659.634   56.948    69.503  3.0308  69.722  3.0494  -0.2189331     4.299385 
1 1 1 -5  26  4  f 46.926  2.0113  299.983   25.077    271.532   35.315    328.918   35.615    44.638  2.9707  49.214  2.7122  -4.576424      4.022590 
1 1 1 -5  26  5  o 48.575  2.0243  321.376   26.188    302.770   36.938    340.180   37.135    47.135  2.9405  50.016  2.7829  -2.881073      4.048602 
1 1 1 -5  26  6  o 23.358  2.3272  75.748    14.128    81.890    20.266    69.940    19.707    24.320  3.1879  22.395  3.3914  1.924561       4.654439 
1 1 1 -5  26  7  o 66.582  2.1597  604.413   38.450    561.261   54.135    648.345   54.622    64.146  3.1508  69.019  2.9547  -4.872719      4.319473 
1 1 1 -5  26  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  26  9  o 26.364  2.2653  96.535    15.667    97.186    22.086    95.875    22.227    26.462  3.1798  26.267  3.2271  0.1952400      4.530517 
1 1 1 -5  26  10 o 46.550  2.0924  297.677   25.952    301.289   36.706    294.068   36.698    46.841  2.9406  46.259  2.9776  0.5812569      4.184893 
1 1 1 -5  26  11 o 8.9257  2.5859  1.6403    10.432    11.765    14.880    -8.1474   14.630    10.439  3.9230  7.4123  3.3702  3.026742       5.171836 
1 1 1 -5  26  12 o 38.512  2.2182  206.361   22.593    187.185   31.975    225.482   31.928    36.641  3.2931  40.382  2.9728  -3.740440      4.436470 
1 1 1 -5  26  13 o 26.863  2.4049  101.938   16.905    105.286   23.864    98.565    23.950    27.341  3.3273  26.385  3.4733  0.9560394      4.809881 
1 1 1 -5  26  14 o 23.111  2.7543  78.980    16.006    54.014    22.567    104.251   22.705    19.007  4.5020  27.214  3.1745  -8.206448      5.508666 
1 1 1 -5  26  15 o 24.628  2.6123  87.600    16.645    80.640    23.650    94.431    23.431    23.550  3.8847  25.705  3.4938  -2.154322      5.224669 
1 1 1 -5  26  16 o 33.055  2.4018  155.630   20.820    137.268   29.373    174.167   29.514    30.953  3.6108  35.158  3.1681  -4.205080      4.803643 
1 1 1 -5  26  17 o 14.409  3.0405  30.860    12.637    29.205    17.807    32.539    17.935    14.059  4.3154  14.759  4.2843  -0.6992397     6.080956 
1 1 1 -5  26  18 o 11.212  2.6150  7.4835    11.874    -18.5667  16.385    36.298    17.232    6.8711  3.2666  15.552  4.0843  -8.681078      5.229932 
1 1 1 -5  26  19 o 10.749  2.9949  11.400    12.737    7.8593    17.630    15.266    18.421    10.099  4.1221  11.399  4.3459  -1.299651      5.989872 
1 1 1 -5  26  20 o 14.939  3.0676  32.555    14.505    11.739    20.343    54.083    20.688    11.073  4.4611  18.805  4.2119  -7.732322      6.135248 
1 1 1 -5  26  21 o 26.850  2.8243  108.906   19.563    123.057   27.940    95.294    27.402    28.788  3.7098  24.911  4.2597  3.876299       5.648678 
1 1 1 -5  27  1  o 55.072  2.0157  412.493   29.629    431.480   41.556    392.862   42.256    56.426  2.7495  53.718  2.9481  2.708790       4.031315 
1 1 1 -5  27  2  f 53.343  2.0226  387.211   28.789    381.281   40.356    393.356   41.081    52.927  2.8573  53.759  2.8634  -0.8319931     4.045124 
1 1 1 -5  27  3  o 39.358  1.9996  211.202   20.921    199.615   29.138    223.531   30.058    38.230  2.8664  40.487  2.7888  -2.257256      3.999199 
1 1 1 -5  27  4  o 11.155  2.6912  15.679    9.6528    18.515    14.225    13.259    13.141    11.812  3.8845  10.498  3.7258  1.313890       5.382490 
1 1 1 -5  27  5  o 11.915  2.6997  17.280    10.649    4.8188    14.920    30.220    15.204    9.2857  3.7913  14.545  3.8444  -5.259398      5.399347 
1 1 1 -5  27  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  27  7  o 12.088  2.7471  19.171    10.379    12.156    14.338    26.893    15.044    10.443  3.8652  13.734  3.9047  -3.291066      5.494205 
1 1 1 -5  27  8  o 16.394  2.8262  38.955    12.328    34.852    17.410    43.082    17.460    15.510  4.1207  17.278  3.8691  -1.767619      5.652438 
1 1 1 -5  27  9  o 35.401  2.2085  173.836   20.723    176.704   29.327    170.976   29.288    35.705  3.0973  35.097  3.1490  0.6072693      4.416910 
1 1 1 -5  27  10 o 54.862  2.1985  416.869   32.173    412.054   45.450    421.705   45.549    54.535  3.1245  55.190  3.0938  -0.6547203     4.397047 
1 1 1 -5  27  11 o 22.550  2.5559  72.999    14.857    79.916    20.917    65.955    21.107    23.738  3.3858  21.361  3.8296  2.376528       5.111736 
1 1 1 -5  27  12 o 25.810  2.5490  95.835    16.883    78.606    23.766    113.385   23.986    23.254  3.9575  28.367  3.2137  -5.112850      5.097987 
1 1 1 -5  27  13 o 10.752  2.8358  12.615    11.172    6.6308    15.409    19.246    16.221    9.5374  3.8685  11.967  4.1475  -2.429624      5.671633 
1 1 1 -5  27  14 o 28.323  2.4886  114.935   18.433    122.351   26.104    107.559   26.034    29.312  3.3872  27.335  3.6467  1.977282       4.977111 
1 1 1 -5  27  15 o 19.190  3.0800  55.546    15.476    52.405    21.957    58.646    21.816    18.592  4.4653  19.787  4.2436  -1.194883      6.160085 
1 1 1 -5  27  16 o 9.4834  2.8107  3.3905    12.198    -2.3866   17.151    9.3025    17.351    8.6613  3.8123  10.306  4.1312  -1.644320      5.621467 
1 1 1 -5  27  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  27  18 o 18.248  3.2515  52.039    16.048    42.482    22.681    61.619    22.708    16.449  4.8304  20.047  4.3538  -3.597820      6.502930 
1 1 1 -5  27  19 o 22.008  3.0588  74.442    17.353    96.246    25.473    55.560    23.704    25.350  3.8745  18.665  4.7342  6.685307       6.117558 
1 1 1 -5  28  1  o 36.703  2.0273  184.458   19.763    187.379   27.709    181.433   28.194    37.014  2.8160  36.391  2.9170  0.6229439      4.054501 
1 1 1 -5  28  2  o 58.240  2.0843  463.600   32.405    458.538   45.469    468.826   46.195    57.919  2.9406  58.561  2.9547  -0.6419983     4.168600 
1 1 1 -5  28  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  28  4  o 13.629  2.6498  25.284    10.841    10.728    15.028    41.080    15.655    10.301  3.9258  16.957  3.5602  -6.655578      5.299699 
1 1 1 -5  28  5  o 40.153  2.0616  221.847   22.018    218.007   31.129    225.692   31.148    39.794  2.9413  40.512  2.8894  -0.7180634     4.123132 
1 1 1 -5  28  6  o 23.930  2.4119  80.648    15.011    76.956    21.074    84.451    21.387    23.343  3.4767  24.518  3.3439  -1.175503      4.823829 
1 1 1 -5  28  7  o 24.114  2.4930  82.930    15.304    64.074    21.360    102.820   21.937    21.074  3.9286  27.153  3.0702  -6.079784      4.986022 
1 1 1 -5  28  8  o 43.219  2.1585  259.308   24.822    253.229   35.048    265.424   35.158    42.692  3.0858  43.746  3.0190  -1.053730      4.316976 
1 1 1 -5  28  9  o 11.583  2.8691  16.708    11.340    24.132    16.045    9.2984    16.030    13.021  4.1124  10.145  4.0019  2.876626       5.738163 
1 1 1 -5  28  10 o 22.396  2.6395  73.432    15.064    87.501    21.101    58.811    21.511    24.848  3.2483  19.944  4.1613  4.903549       5.279015 
1 1 1 -5  28  11 o 52.820  2.2298  391.299   31.355    366.676   44.202    416.239   44.485    51.070  3.2482  54.570  3.0557  -3.500187      4.459645 
1 1 1 -5  28  12 o 23.273  2.7213  79.758    16.200    92.206    22.680    66.791    23.149    25.372  3.4248  21.173  4.2299  4.199327       5.442523 
1 1 1 -5  28  13 o 40.029  2.2925  226.585   24.322    209.875   34.075    243.940   34.727    38.451  3.3418  41.608  3.1392  -3.156464      4.584978 
1 1 1 -5  28  14 o 41.170  2.3546  240.782   25.658    264.647   36.699    217.961   35.887    43.274  3.1887  39.067  3.4655  4.206474       4.709265 
1 1 1 -5  28  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  28  16 o 31.009  2.5915  140.567   20.876    119.230   29.164    162.985   29.894    28.370  3.9447  33.649  3.3619  -5.278641      5.182971 
1 1 1 -5  28  17 o 17.877  3.2245  50.581    15.990    34.589    22.491    66.925    22.738    14.877  4.8840  20.878  4.2114  -6.000792      6.448935 
1 1 1 -5  29  1  o 17.115  2.7466  42.795    12.484    55.248    17.520    29.954    17.792    19.753  3.4362  14.477  4.2857  5.275599       5.493199 
1 1 1 -5  29  2  o 19.779  2.6211  55.906    13.361    55.294    18.425    56.585    19.404    19.686  3.6280  19.872  3.7839  -0.1857738     5.242156 
1 1 1 -5  29  3  o 22.168  2.5824  69.914    14.793    68.412    20.560    71.526    21.300    21.924  3.6280  22.411  3.6758  -0.4872055     5.164703 
1 1 1 -5  29  4  o 8.1578  2.4960  -2.8525   10.201    -9.2758   13.733    5.0547    15.236    6.9920  3.2114  9.3236  3.8218  -2.331684      4.991950 
1 1 1 -5  29  5  o 51.601  2.1264  368.751   29.240    350.966   41.103    386.973   41.605    50.304  3.0652  52.897  2.9482  -2.592762      4.252883 
1 1 1 -5  29  6  o 11.873  2.8537  18.645    11.056    12.973    15.748    24.158    15.525    10.742  4.0360  13.004  4.0356  -2.261832      5.707459 
1 1 1 -5  29  7  o 22.565  2.5457  73.217    14.869    73.051    20.999    73.384    21.057    22.539  3.5996  22.590  3.6009  -0.5175400E-01 5.091500 
1 1 1 -5  29  8  o 37.733  2.2465  200.208   22.478    208.423   31.858    192.063   31.720    38.544  3.1124  36.921  3.2403  1.622391       4.492927 
1 1 1 -5  29  9  f 11.119  2.9406  14.433    11.888    17.966    16.650    10.759    16.980    11.736  4.1908  10.502  4.1263  1.234254       5.881256 
1 1 1 -5  29  10 f 12.748  2.8451  18.568    12.584    -0.6630   17.042    41.621    18.659    8.8552  3.8509  16.641  4.1892  -7.785375      5.690201 
1 1 1 -5  29  11 o 10.186  2.7960  9.5877    11.365    17.128    15.606    1.0737    16.583    11.415  4.0592  8.9560  3.8461  2.459228       5.591951 
1 1 1 -5  29  12 o 40.371  2.3399  231.699   25.077    234.451   35.457    228.945   35.472    40.628  3.2865  40.114  3.3316  0.5137253      4.679800 
1 1 1 -5  29  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  29  14 o 17.922  2.9122  49.331    15.629    13.287    21.971    86.250    22.236    11.544  4.6414  24.300  3.5188  -12.75565      5.824471 
1 1 1 -5  29  15 o 13.677  3.2761  28.136    14.411    32.731    20.223    23.395    20.541    14.517  4.6202  12.837  4.6461  1.680454       6.552283 
1 1 1 -5  30  1  o 12.610  2.9157  21.559    11.482    16.202    15.861    27.456    16.644    11.406  4.0885  13.813  4.1580  -2.406267      5.831351 
1 1 1 -5  30  2  o 24.274  2.4736  84.131    15.381    67.857    21.468    101.295   22.047    21.671  3.8389  26.877  3.1206  -5.205917      4.947205 
1 1 1 -5  30  3  o 13.823  2.9024  27.628    12.163    38.182    16.664    15.596    17.793    16.119  3.9016  11.528  4.2980  4.591442       5.804793 
1 1 1 -5  30  4  o 33.946  2.2297  161.816   20.034    162.100   27.979    161.516   28.699    34.000  3.1067  33.893  3.1992  0.1071434      4.459421 
1 1 1 -5  30  5  o 8.8852  2.5910  4.4771    9.9883    6.3168    13.421    2.1929    14.954    9.0273  3.6282  8.7431  3.6999  0.2842302      5.181981 
1 1 1 -5  30  6  o 11.622  2.6794  13.870    11.333    -4.6302   15.599    34.547    16.492    8.0085  3.5740  15.235  3.9929  -7.226643      5.358816 
1 1 1 -5  30  7  o 24.228  2.6463  85.487    16.578    78.991    23.442    91.988    23.449    23.204  3.9108  25.252  3.5662  -2.047464      5.292599 
1 1 1 -5  30  8  o 12.787  2.9130  20.587    12.834    2.6189    18.048    38.968    18.254    9.4956  4.0433  16.078  4.1946  -6.582890      5.826059 
1 1 1 -5  30  9  o 20.027  2.9099  61.099    15.121    78.486    21.220    43.161    21.553    23.284  3.5116  16.770  4.6410  6.514170       5.819788 
1 1 1 -5  30  10 o 16.224  2.6752  33.271    15.042    -9.5402   20.646    81.715    21.962    8.7421  3.9859  23.707  3.5693  -14.96469      5.350460 
1 1 1 -5  30  11 o 29.594  4.6008  133.246   35.284    133.246   35.284    0.0000    0.0000    29.594  4.6008  ?       ?       ?              ?        
1 1 1 -5  30  12 o 16.445  3.1699  42.258    14.426    47.008    20.073    37.183    20.747    17.441  4.3196  15.450  4.6404  1.990266       6.339750 
1 1 1 -5  30  13 o 10.953  2.9343  13.516    12.413    22.866    17.229    3.4222    17.901    12.493  4.2773  9.4139  4.0180  3.079008       5.868552 
1 1 1 -5  31  1  o 25.188  2.4567  90.797    16.128    91.119    22.576    90.461    23.048    25.256  3.4257  25.120  3.5224  0.1362381      4.913498 
1 1 1 -5  31  2  o 19.946  2.7586  58.816    14.184    69.912    20.188    47.999    19.933    21.997  3.5470  17.896  4.2260  4.101498       5.517263 
1 1 1 -5  31  3  o 26.602  2.4413  101.834   16.895    109.246   23.525    93.937    24.280    27.726  3.2281  25.478  3.6633  2.248392       4.882673 
1 1 1 -5  31  4  f 33.478  2.2898  159.094   20.264    162.450   28.420    155.622   28.902    33.879  3.1686  33.077  3.3066  0.8028450      4.579669 
1 1 1 -5  31  5  o 46.832  2.2159  309.332   27.632    304.158   38.690    314.719   39.478    46.434  3.1290  47.229  3.1386  -0.7950592     4.431867 
1 1 1 -5  31  6  o 25.034  2.5964  91.774    16.675    106.659   23.543    76.791    23.620    27.310  3.2843  22.757  4.0222  4.553280       5.192766 
1 1 1 -5  31  7  o 38.849  2.2718  214.326   23.425    213.197   32.845    215.494   33.418    38.758  3.1922  38.940  3.2332  -0.1814575     4.543569 
1 1 1 -5  31  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  31  9  o 9.6337  2.7924  3.9800    11.909    -5.2939   15.991    15.530    17.846    7.9640  3.5815  11.303  4.2851  -3.339281      5.584745 
1 1 1 -5  31  10 o 29.618  2.5904  129.228   20.084    126.036   28.832    132.238   27.993    29.177  3.7781  30.060  3.5448  -0.8836174     5.180717 
1 1 1 -5  31  11 f 25.152  2.8782  96.499    18.623    84.156    26.097    109.307   26.583    23.277  4.3455  27.027  3.7752  -3.750067      5.756362 
1 1 1 -5  32  1  o 22.095  2.6698  71.623    15.227    69.077    21.180    74.346    21.907    21.676  3.7858  22.515  3.7656  -0.8391151     5.339674 
1 1 1 -5  32  2  o 45.046  2.2097  286.718   26.466    269.657   37.041    304.511   37.827    43.621  3.1925  46.471  3.0561  -2.850269      4.419419 
1 1 1 -5  32  3  o 18.695  2.9167  52.549    14.184    50.742    19.335    54.655    20.871    18.379  4.0381  19.011  4.2099  -0.6317959     5.833418 
1 1 1 -5  32  4  o 18.757  2.9787  52.683    14.914    33.849    20.214    75.181    22.093    14.921  4.6007  22.593  3.7846  -7.672035      5.957350 
1 1 1 -5  32  5  o 23.683  4.0420  83.706    24.720    0.0000    0.0000    83.706    24.720    ?       ?       23.683  4.0420  ?              ?        
1 1 1 -5  32  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  32  7  o 8.4904  2.6092  -9.2949   12.022    -26.0847  16.003    12.459    18.215    6.1729  3.0066  10.808  4.2651  -4.635004      5.218318 
1 1 1 -5  32  8  o 33.373  2.4197  162.460   21.251    147.229   29.569    178.734   30.563    31.641  3.5502  35.104  3.2889  -3.463348      4.839473 
1 1 1 -5  32  9  o 24.592  2.9665  94.032    18.554    71.706    25.844    117.781   26.654    21.096  4.6947  28.088  3.6277  -6.992136      5.932973 
1 1 1 -5  33  1  o 7.6974  2.4542  -13.8733  10.477    -24.3980  12.840    7.1014    18.126    5.3399  2.6202  10.055  4.1504  -4.715102      4.908316 
1 1 1 -5  33  2  o 8.0797  3.7600  -14.1361  19.752    0.0000    0.0000    -14.1361  19.752    ?       ?       8.0797  3.7600  ?              ?        
1 1 1 -5  33  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -5  33  4  o 13.373  3.2001  26.621    13.590    25.452    18.359    28.037    20.212    13.092  4.4157  13.655  4.6330  -0.5630589     6.400266 
1 1 1 -5  33  5  o 25.396  2.7558  97.103    18.143    96.531    25.376    97.701    25.950    25.344  3.8601  25.448  3.9340  -0.1041317     5.511519 
1 1 1 -5  33  6  o 40.829  2.3905  245.474   25.698    270.498   35.826    218.954   36.882    43.258  3.1128  38.400  3.6288  4.857571       4.781024 
1 1 1 -5  34  1  o 8.1638  2.5976  -5.1425   11.967    -0.8842   15.755    -10.9505  18.400    8.3688  3.6694  7.9587  3.6777  0.4100513      5.195190 
1 1 1 -5  34  2  o 31.264  2.5465  145.086   20.869    149.078   28.798    140.671   30.286    31.858  3.4288  30.669  3.7659  1.188961       5.092988 
1 1 1 -5  34  3  o 14.408  3.1605  33.327    14.060    42.722    18.928    21.759    21.001    16.393  4.2686  12.423  4.6621  3.970294       6.321061 
1 1 1 -4  -35 8  o 22.226  3.1852  78.452    18.130    72.524    27.634    82.931    24.024    21.108  4.9700  23.345  3.9851  -2.236593      6.370408 
1 1 1 -4  -35 9  o 12.935  2.8489  15.293    12.472    50.450    21.219    -3.2633   15.416    17.881  4.4486  7.9891  3.5600  9.891457       5.697706 
1 1 1 -4  -35 10 o 16.043  3.3480  40.693    15.187    42.732    23.891    39.310    19.674    16.277  4.9988  15.810  4.4550  0.4677763      6.695922 
1 1 1 -4  -35 11 o 31.188  2.6108  143.668   21.322    141.793   31.151    145.320   29.247    30.871  3.8510  31.505  3.5264  -0.6333847     5.221691 
1 1 1 -4  -35 12 o 17.189  3.3642  46.771    15.859    48.994    24.605    45.192    20.743    17.420  5.0071  16.958  4.4944  0.4616013      6.728319 
1 1 1 -4  -35 13 o 18.893  3.3260  56.968    16.726    52.907    25.398    60.079    22.226    18.083  5.0500  19.703  4.3297  -1.619902      6.652000 
1 1 1 -4  -35 14 o 32.835  2.5487  157.502   21.871    182.004   31.767    135.424   30.156    35.437  3.3882  30.233  3.8084  5.203808       5.097439 
1 1 1 -4  -35 15 o 12.997  3.4165  21.373    15.972    33.429    24.698    12.705    20.940    14.747  5.1174  11.247  4.5280  3.500139       6.833021 
1 1 1 -4  -35 16 o 16.807  3.4114  45.925    16.961    29.437    25.431    59.136    22.764    14.148  5.1621  19.466  4.4614  -5.318564      6.822817 
1 1 1 -4  -35 17 o 34.971  2.6769  180.965   24.324    214.050   34.917    149.773   33.903    38.393  3.4316  31.550  4.1095  6.842648       5.353871 
1 1 1 -4  -35 18 o 49.043  2.4227  348.915   31.603    337.589   44.874    360.059   44.514    48.167  3.5022  49.919  3.3486  -1.752014      4.845478 
1 1 1 -4  -35 19 o 18.052  3.5537  53.573    18.020    44.925    26.818    60.692    24.332    16.575  5.3253  19.529  4.7070  -2.953680      7.107309 
1 1 1 -4  -35 20 o 16.870  3.6058  44.956    17.882    60.279    27.168    33.243    23.754    19.133  5.1760  14.607  5.0215  4.525739       7.211538 
1 1 1 -4  -35 21 o 19.272  3.6169  60.008    19.126    76.229    28.775    47.172    25.598    21.619  5.0590  16.925  5.1705  4.694326       7.233779 
1 1 1 -4  -35 22 o 47.391  2.5163  330.328   31.699    322.869   44.834    337.782   44.824    46.799  3.6044  47.982  3.5122  -1.182774      5.032606 
1 1 1 -4  -35 23 o 23.315  3.4484  88.642    20.831    77.990    30.123    98.403    28.837    21.596  5.2571  25.034  4.4643  -3.438234      6.896894 
1 1 1 -4  -35 24 o 19.169  3.0395  60.343    20.215    -7.7290   29.938    117.387   27.406    10.436  4.7741  27.902  3.7631  -17.46604      6.078918 
1 1 1 -4  -35 25 o 27.925  3.3244  126.169   23.769    112.642   34.575    138.290   32.730    26.025  5.1424  29.825  4.2144  -3.800171      6.648712 
1 1 1 -4  -35 26 o 16.956  3.8114  49.251    19.581    61.440    29.303    39.417    26.320    18.648  5.4945  15.265  5.2836  3.382783       7.622759 
1 1 1 -4  -35 27 o 40.356  2.7460  250.457   29.279    243.076   41.856    257.530   40.971    39.617  3.9992  41.096  3.7640  -1.478741      5.491921 
1 1 1 -4  -35 28 o 10.388  3.2345  4.0812    17.421    3.4045    25.973    4.6347    23.489    10.512  4.6559  10.265  4.4911  0.2470083      6.468965 
1 1 1 -4  -34 3  o 11.629  3.1669  15.819    13.847    22.517    21.387    10.984    18.170    12.731  4.7189  10.526  4.2248  2.204759       6.333822 
1 1 1 -4  -34 4  o 10.705  3.0508  10.171    13.210    16.058    21.128    6.3921    16.926    11.756  4.6080  9.6525  3.9996  2.103966       6.101667 
1 1 1 -4  -34 5  o 24.987  2.7431  91.518    17.551    113.898   26.445    73.901    23.463    27.873  3.6281  22.100  4.1152  5.773153       5.486156 
1 1 1 -4  -34 6  o 29.569  2.6224  126.869   20.193    145.686   30.164    111.588   27.183    31.611  3.6283  27.526  3.7872  4.084694       5.244794 
1 1 1 -4  -34 7  o 10.511  2.9057  11.807    11.798    5.0179    20.104    15.373    14.570    10.160  4.2941  10.862  3.9158  -0.7019863     5.811418 
1 1 1 -4  -34 8  o 33.624  2.4581  163.581   21.694    154.333   31.633    171.792   29.808    32.567  3.6916  34.682  3.2466  -2.114719      4.916106 
1 1 1 -4  -34 9  o 17.938  3.1497  45.847    16.315    81.744    25.232    20.058    21.387    23.343  4.1895  12.532  4.7043  10.81107       6.299395 
1 1 1 -4  -34 10 o 9.9424  2.8275  6.4972    12.457    -10.5324  20.264    16.843    15.794    8.5513  3.9178  11.333  4.0780  -2.782136      5.655004 
1 1 1 -4  -34 11 o 19.031  3.4578  56.703    18.451    77.566    26.292    36.457    25.901    22.566  4.5077  15.497  5.2447  7.068513       6.915631 
1 1 1 -4  -34 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -34 24 o 12.848  3.6182  19.474    18.763    15.593    27.445    22.880    25.709    12.479  5.1240  13.218  5.1099  -0.7385283     7.236423 
1 1 1 -4  -34 25 o 26.156  3.2279  106.593   21.757    102.120   31.240    110.806   30.318    25.460  4.7559  26.851  4.3656  -1.390707      6.455709 
1 1 1 -4  -34 26 o 25.899  3.3608  110.379   22.010    161.207   31.195    59.992    31.059    33.072  3.5787  18.725  5.6898  14.34662       6.721697 
1 1 1 -4  -34 27 o 16.038  3.2000  31.129    18.728    82.409    27.734    -11.8539  25.391    22.702  4.7151  9.3740  4.3276  13.32830       6.400030 
1 1 1 -4  -34 28 o 11.519  3.1292  5.1112    17.325    -38.3603  26.618    37.065    22.821    7.9426  3.8705  15.095  4.9180  -7.152652      6.258361 
1 1 1 -4  -34 29 o 18.413  3.3908  53.874    19.548    96.435    28.709    17.084    26.692    24.563  4.5304  12.263  5.0463  12.30011       6.781586 
1 1 1 -4  -34 30 o 25.363  3.4942  107.687   22.814    91.642    32.620    123.049   31.919    22.975  5.3932  27.750  4.4443  -4.775629      6.988427 
1 1 1 -4  -34 31 o 18.110  3.9060  59.334    20.935    71.634    30.352    48.171    28.915    19.910  5.5063  16.311  5.5414  3.599585       7.811934 
1 1 1 -4  -34 32 o 39.624  2.7840  245.509   28.789    291.191   41.892    204.630   39.629    43.557  3.6236  35.691  4.2276  7.865852       5.568027 
1 1 1 -4  -33 1  o 31.351  2.4656  141.741   20.242    161.212   29.548    124.524   27.785    33.486  3.3389  29.217  3.6287  4.269281       4.931144 
1 1 1 -4  -33 2  o 46.704  2.2528  309.090   27.939    339.891   40.389    280.830   38.688    49.015  3.0923  44.392  3.2769  4.623074       4.505583 
1 1 1 -4  -33 3  o 15.432  3.2315  35.660    14.243    42.429    21.745    30.574    18.850    16.582  4.6876  14.282  4.4493  2.299368       6.462913 
1 1 1 -4  -33 4  o 15.085  3.2555  34.104    14.314    38.321    21.409    30.694    19.250    15.832  4.7045  14.339  4.5010  1.493032       6.510904 
1 1 1 -4  -33 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -33 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -33 7  o 18.169  4.1807  49.529    19.923    0.0000    0.0000    49.529    19.923    ?       ?       18.169  4.1807  ?              ?        
1 1 1 -4  -33 8  o 23.563  2.7886  81.361    16.873    82.608    25.375    80.373    22.590    23.614  4.1642  23.512  3.7102  0.1019573      5.577293 
1 1 1 -4  -33 9  o 29.322  2.5495  123.597   19.562    125.288   28.641    122.119   26.782    29.452  3.7132  29.192  3.4947  0.2605305      5.099082 
1 1 1 -4  -33 10 o 11.110  2.9779  14.204    11.953    13.744    19.428    14.484    15.162    11.371  4.4292  10.848  3.9817  0.5223656      5.955798 
1 1 1 -4  -33 11 o 12.797  2.9931  21.732    13.556    1.0889    20.857    36.833    17.838    9.9309  4.2893  15.663  4.1758  -5.731955      5.986268 
1 1 1 -4  -33 12 o 28.112  2.5961  113.685   18.762    139.892   27.481    90.805    25.678    31.355  3.3228  24.869  3.9898  6.486135       5.192295 
1 1 1 -4  -33 13 o 31.642  2.5033  143.324   20.826    152.846   30.099    134.580   28.846    32.686  3.4921  30.598  3.5878  2.087475       5.006683 
1 1 1 -4  -33 14 o 44.035  2.2891  273.725   26.758    297.103   38.542    251.972   37.178    45.915  3.1530  42.156  3.3194  3.759384       4.578255 
1 1 1 -4  -33 15 o 23.953  2.8631  84.581    17.670    86.256    26.014    83.146    24.077    24.107  4.1804  23.799  3.9132  0.3080006      5.726138 
1 1 1 -4  -33 16 o 41.145  2.3059  239.879   25.200    239.416   35.945    240.327   35.339    41.083  3.2942  41.207  3.2276  -0.1241837     4.611869 
1 1 1 -4  -33 17 o 13.200  3.3500  22.745    15.185    31.415    22.735    15.763    20.402    14.603  4.9139  11.798  4.5545  2.804557       6.700031 
1 1 1 -4  -33 18 o 18.845  3.3995  55.237    17.205    52.032    25.509    57.911    23.303    18.234  5.0499  19.456  4.5525  -1.221807      6.799026 
1 1 1 -4  -33 19 o 10.884  3.1216  6.7918    14.359    20.647    22.584    -2.6100   18.603    12.797  4.8280  8.9701  3.9583  3.827207       6.243174 
1 1 1 -4  -33 20 o 37.024  2.4804  196.845   24.297    200.554   34.852    193.337   33.891    37.353  3.5252  36.694  3.4903  0.6586037      4.960775 
1 1 1 -4  -33 21 o 38.132  2.4685  209.339   24.825    228.953   35.129    189.774   35.086    40.065  3.3030  36.198  3.6694  3.866501       4.937032 
1 1 1 -4  -33 22 o 13.294  3.0108  16.200    16.317    -25.4802  24.044    51.786    22.217    8.2825  3.9432  18.305  4.5508  -10.02231      6.021514 
1 1 1 -4  -33 23 o 40.218  2.4373  232.719   25.962    218.417   36.536    247.304   36.897    38.881  3.5473  41.554  3.3434  -2.672707      4.874586 
1 1 1 -4  -33 24 o 16.692  3.1159  39.959    17.940    -3.3435   25.866    80.094    24.902    10.351  4.6121  23.033  4.1909  -12.68148      6.231772 
1 1 1 -4  -33 25 o 22.656  3.5074  80.581    20.782    100.253   30.558    63.653    28.348    25.479  4.6490  19.833  5.2530  5.645828       7.014766 
1 1 1 -4  -33 26 o 27.893  3.0083  117.602   21.756    122.068   31.093    113.318   30.452    28.454  4.2066  27.333  4.3017  1.121099       6.016652 
1 1 1 -4  -33 27 o 16.714  7.3364  30.926    63.130    0.0000    0.0000    30.926    63.130    ?       ?       16.714  7.3364  ?              ?        
1 1 1 -4  -33 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -33 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -33 30 o 13.861  3.6109  24.223    18.957    47.748    28.108    4.5939    25.675    16.834  5.4565  10.889  4.7309  5.944798       7.221827 
1 1 1 -4  -33 31 o 13.927  3.4357  27.968    17.901    2.3064    26.896    48.374    23.985    10.791  4.7608  17.063  4.9549  -6.272178      6.871408 
1 1 1 -4  -33 32 o 33.831  2.8732  176.315   25.453    180.292   37.424    172.892   34.719    34.050  4.1920  33.613  3.9305  0.4368553      5.746481 
1 1 1 -4  -33 33 o 15.868  3.2832  38.972    19.098    -5.1264   28.162    76.518    25.986    10.183  4.6476  21.553  4.6387  -11.37043      6.566396 
1 1 1 -4  -33 34 o 21.979  3.7292  85.236    21.781    99.766    31.728    72.285    29.955    24.025  5.0888  19.934  5.4528  4.091078       7.458464 
1 1 1 -4  -33 35 o 11.076  3.3710  11.427    18.107    9.7959    25.857    12.997    25.366    10.935  4.7493  11.218  4.7854  -0.2829399     6.742093 
1 1 1 -4  -32 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -32 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -32 3  f 51.033  2.1804  364.709   29.659    369.825   42.433    359.822   41.472    51.373  3.0982  50.692  3.0688  0.6805267      4.360816 
1 1 1 -4  -32 4  o 27.307  2.4737  106.827   17.612    104.617   25.790    108.760   24.109    26.954  3.6675  27.660  3.3205  -0.7056961     4.947326 
1 1 1 -4  -32 5  o 41.339  2.2113  240.464   24.230    224.316   34.632    255.947   33.911    39.881  3.2708  42.797  2.9768  -2.915516      4.422616 
1 1 1 -4  -32 6  o 9.0280  2.7388  0.5229    12.049    -9.5370   19.600    6.6337    15.276    8.5546  3.8939  9.5014  3.8525  -0.9468307     5.477638 
1 1 1 -4  -32 7  o 20.697  2.9400  64.841    15.578    53.255    23.477    73.957    20.823    18.727  4.6905  22.666  3.5461  -3.939283      5.880078 
1 1 1 -4  -32 8  o 48.845  2.1660  333.016   28.174    350.815   40.636    316.541   39.095    50.119  3.0415  47.571  3.0849  2.547558       4.332095 
1 1 1 -4  -32 9  o 29.539  2.4348  123.435   18.767    143.191   27.545    106.319   25.639    31.838  3.2768  27.241  3.6022  4.596451       4.869648 
1 1 1 -4  -32 10 o 14.652  2.7812  26.511    12.407    55.927    19.785    7.4459    15.928    19.518  3.9206  9.7858  3.9457  9.732355       5.562367 
1 1 1 -4  -32 11 o 25.531  2.6867  94.112    17.780    94.872    25.968    93.441    24.395    25.574  3.9156  25.488  3.6799  0.8596420E-01  5.373483 
1 1 1 -4  -32 12 o 30.325  2.4311  130.739   19.362    126.819   27.891    134.385   26.898    29.819  3.5627  30.831  3.3090  -1.012281      4.862298 
1 1 1 -4  -32 13 o 7.0621  2.3326  -10.3801  9.6829    -12.9767  18.532    -9.4050   11.356    7.9747  3.6871  6.1495  2.8582  1.825190       4.665162 
1 1 1 -4  -32 14 o 25.803  2.6643  96.478    17.748    86.836    25.477    105.570   24.738    24.390  4.0414  27.216  3.4727  -2.826782      5.328502 
1 1 1 -4  -32 15 o 25.189  2.5962  90.957    16.940    101.736   24.692    81.373    23.283    26.674  3.5437  23.703  3.7952  2.971235       5.192435 
1 1 1 -4  -32 16 o 17.553  3.1997  45.329    15.301    59.748    23.061    33.989    20.452    19.975  4.4267  15.131  4.6214  4.843221       6.399441 
1 1 1 -4  -32 17 o 29.142  2.6039  122.043   19.711    138.891   28.168    105.876   27.593    31.272  3.4186  27.013  3.9287  4.259144       5.207860 
1 1 1 -4  -32 18 o 29.996  2.5903  129.306   19.885    162.156   28.816    99.442    27.476    33.910  3.2109  26.081  4.0655  7.828382       5.180598 
1 1 1 -4  -32 19 o 16.486  3.4385  40.925    16.283    47.865    23.838    34.855    22.295    17.679  4.8760  15.292  4.8494  2.386285       6.876972 
1 1 1 -4  -32 20 o 18.191  3.1157  51.774    17.079    15.082    25.105    83.387    23.303    12.424  4.9732  23.958  3.7548  -11.53424      6.231479 
1 1 1 -4  -32 21 o 26.939  2.8020  106.277   19.517    103.493   28.741    108.659   26.586    26.475  4.1926  27.402  3.7184  -0.9267139     5.603966 
1 1 1 -4  -32 22 o 21.187  3.2073  68.656    17.665    58.977    25.474    77.621    24.517    19.521  4.8840  22.852  4.1586  -3.330681      6.414643 
1 1 1 -4  -32 23 f 24.311  3.0383  88.394    19.058    90.636    27.070    86.190    26.837    24.647  4.2541  23.974  4.3390  0.6731071      6.076560 
1 1 1 -4  -32 24 o 49.096  2.3381  342.938   30.535    356.731   42.972    328.870   43.398    50.175  3.2144  48.017  3.3962  2.158588       4.676188 
1 1 1 -4  -32 25 o 29.528  2.8668  129.495   21.391    166.251   30.901    95.673    29.642    34.008  3.4396  25.048  4.5873  8.960283       5.733556 
1 1 1 -4  -32 26 o 15.382  3.5907  36.203    17.222    40.602    24.803    32.108    23.932    16.112  5.1155  14.652  5.0401  1.459649       7.181319 
1 1 1 -4  -32 27 o 13.620  3.5287  25.150    17.452    13.169    25.597    35.557    23.857    12.050  4.9482  15.190  5.0322  -3.139837      7.057483 
1 1 1 -4  -32 28 o 12.213  3.3020  15.289    16.417    -3.4195   23.954    31.859    22.543    9.9488  4.4352  14.478  4.8930  -4.528986      6.603965 
1 1 1 -4  -32 29 o 35.655  2.6722  187.812   24.584    230.367   35.365    148.017   34.199    39.960  3.3346  31.351  4.1765  8.608952       5.344475 
1 1 1 -4  -32 30 o 19.049  3.5997  59.070    18.719    57.547    27.123    60.455    25.868    18.738  5.2136  19.359  4.9648  -0.6216202     7.199354 
1 1 1 -4  -32 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -32 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -32 33 o 16.439  3.8317  45.197    19.702    54.462    28.815    37.062    27.000    17.788  5.4944  15.089  5.3421  2.699177       7.663326 
1 1 1 -4  -32 34 o 8.8925  2.9315  -13.7284  17.036    -14.8565  25.340    -12.7980  23.014    9.0454  4.2259  8.7396  4.0642  0.3058233      5.863094 
1 1 1 -4  -32 35 o 20.510  3.7735  74.295    21.014    67.442    30.949    80.156    28.624    19.287  5.6365  21.733  5.0187  -2.446043      7.547018 
1 1 1 -4  -32 36 o 11.402  3.3675  12.722    17.460    23.568    25.369    2.9617    24.066    12.657  5.0212  10.146  4.4885  2.510991       6.734912 
1 1 1 -4  -32 37 o 9.7447  3.1290  -2.4007   17.806    4.2747    25.793    -8.4791   24.612    10.373  4.6149  9.1160  4.2269  1.257229       6.258088 
1 1 1 -4  -31 1  o 14.095  2.9732  29.326    12.285    22.626    18.136    35.006    16.698    12.817  4.3885  15.372  4.0126  -2.554871      5.946445 
1 1 1 -4  -31 2  o 13.896  3.0279  26.046    12.925    41.282    19.577    14.274    17.208    16.616  4.3482  11.176  4.2148  5.440355       6.055711 
1 1 1 -4  -31 3  o 12.237  3.0987  19.364    12.820    18.918    19.455    19.706    17.043    12.306  4.5112  12.168  4.2494  0.1378784      6.197463 
1 1 1 -4  -31 4  o 46.872  2.1384  306.025   26.692    302.073   38.130    309.823   37.377    46.543  3.0759  47.201  2.9716  -0.6574326     4.276875 
1 1 1 -4  -31 5  o 19.319  2.8080  54.931    13.957    52.129    21.002    57.146    18.677    18.750  4.2767  19.889  3.6401  -1.139315      5.616095 
1 1 1 -4  -31 6  o 26.480  2.4579  99.956    16.914    93.279    24.552    105.988   23.336    25.527  3.6986  27.434  3.2381  -1.907623      4.915801 
1 1 1 -4  -31 7  o 15.686  3.1349  34.747    13.924    48.619    21.454    24.651    18.303    18.076  4.4588  13.295  4.4079  4.781563       6.269805 
1 1 1 -4  -31 8  o 17.196  3.1307  42.772    14.574    55.178    22.158    33.313    19.349    19.310  4.3842  15.082  4.4703  4.228296       6.261411 
1 1 1 -4  -31 9  o 40.415  2.1848  227.045   23.241    267.839   33.597    189.609   32.184    44.017  2.8652  36.813  3.2991  7.204674       4.369612 
1 1 1 -4  -31 10 o 14.024  3.0938  28.600    13.193    19.301    20.837    34.822    17.045    12.628  4.6624  15.421  4.0679  -2.792400      6.187616 
1 1 1 -4  -31 11 o 51.064  2.1404  361.035   29.116    380.243   41.391    342.221   40.965    52.450  2.9583  49.678  3.0940  2.771797       4.280740 
1 1 1 -4  -31 12 o 38.852  2.2155  209.868   22.849    218.111   32.532    201.842   32.098    39.629  3.0893  38.075  3.1764  1.554012       4.430970 
1 1 1 -4  -31 13 o 46.844  2.1389  303.892   26.689    299.218   37.861    308.508   37.627    46.468  3.0591  47.221  2.9904  -0.7535744     4.277888 
1 1 1 -4  -31 14 o 44.732  2.1851  278.118   25.891    247.287   36.458    309.485   36.774    42.130  3.2561  47.333  2.9147  -5.203106      4.370116 
1 1 1 -4  -31 15 o 48.620  2.1749  327.724   28.136    306.542   39.553    349.424   40.033    46.977  3.1619  50.262  2.9871  -3.285694      4.349710 
1 1 1 -4  -31 16 o 55.507  2.1721  427.194   32.130    446.026   45.209    407.974   45.673    56.800  2.9820  54.213  3.1590  2.587074       4.344155 
1 1 1 -4  -31 17 o 15.859  3.2073  37.287    14.456    30.883    21.304    42.752    19.680    14.700  4.7489  17.019  4.3121  -2.318593      6.414508 
1 1 1 -4  -31 18 f 10.633  2.9472  1.3823    13.764    25.564    20.794    -17.4726  18.362    13.686  4.6987  7.5799  3.5591  6.105992       5.894443 
1 1 1 -4  -31 19 o 11.502  3.1095  12.702    14.064    0.4352    20.853    22.937    19.048    9.9671  4.2969  13.038  4.4958  -3.070727      6.218985 
1 1 1 -4  -31 20 o 16.425  2.9490  38.797    15.205    7.2456    21.734    69.049    21.281    10.971  4.5380  21.878  3.7675  -10.90691      5.898071 
1 1 1 -4  -31 21 o 32.363  2.5157  148.992   21.206    172.742   30.233    125.990   29.753    35.079  3.2547  29.646  3.8370  5.433636       5.031436 
1 1 1 -4  -31 22 o 17.377  3.3369  45.828    16.136    37.010    23.431    53.783    22.255    15.794  4.9671  18.961  4.4573  -3.167036      6.673823 
1 1 1 -4  -31 23 o 42.827  2.3124  258.339   26.263    273.635   36.852    242.553   37.438    44.207  3.1325  41.447  3.4023  2.759796       4.624802 
1 1 1 -4  -31 24 o 33.329  2.5054  158.768   21.920    144.022   31.050    173.419   30.950    31.659  3.7334  34.999  3.3421  -3.339996      5.010786 
1 1 1 -4  -31 25 o 12.074  3.2683  16.828    14.779    14.901    21.696    18.496    20.186    11.899  4.6678  12.250  4.5758  -0.3516169     6.536553 
1 1 1 -4  -31 26 o 11.938  3.0710  12.281    14.792    -10.9750  21.185    34.404    20.662    8.7659  4.0123  15.109  4.6503  -6.343232      6.141971 
1 1 1 -4  -31 27 o 54.732  2.2693  423.979   33.113    428.648   46.484    419.169   47.180    55.079  3.1641  54.384  3.2538  0.6951027      4.538619 
1 1 1 -4  -31 28 o 11.565  3.3211  12.096    16.132    7.8421    24.213    15.493    21.633    11.264  4.7340  11.866  4.6591  -0.6018267     6.642145 
1 1 1 -4  -31 29 o 18.711  3.4156  55.734    17.588    42.211    25.434    68.127    24.348    16.359  5.1787  21.063  4.4549  -4.704039      6.831197 
1 1 1 -4  -31 30 o 10.838  3.2201  7.2276    15.934    2.3176    23.434    11.450    21.731    10.436  4.5269  11.240  4.5808  -0.8041124     6.440285 
1 1 1 -4  -31 31 o 10.224  3.1339  1.3619    15.915    8.6649    23.533    -4.7928   21.604    11.133  4.6723  9.3143  4.1778  1.818512       6.267736 
1 1 1 -4  -31 32 o 51.403  2.3477  381.626   32.131    372.577   45.781    390.410   45.106    50.722  3.3893  52.083  3.2495  -1.360836      4.695386 
1 1 1 -4  -31 33 o 20.830  3.5280  71.671    19.626    57.452    28.940    83.780    26.705    18.487  5.4641  23.172  4.4645  -4.685236      7.056062 
1 1 1 -4  -31 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -31 35 o 14.015  3.6025  28.705    18.510    12.439    26.376    44.488    25.982    11.761  4.9417  16.270  5.2431  -4.509073      7.204902 
1 1 1 -4  -31 36 o 13.435  3.6309  26.907    18.168    30.155    26.804    24.146    24.710    13.913  5.2572  12.957  5.0095  0.9559050      7.261716 
1 1 1 -4  -31 37 o 27.098  3.3293  122.371   22.889    97.453    33.043    145.356   31.737    23.632  5.3454  30.564  3.9705  -6.932238      6.658657 
1 1 1 -4  -31 38 o 18.840  3.8579  65.527    20.594    68.967    29.546    62.277    28.721    19.333  5.4636  18.348  5.4483  0.9859772      7.715869 
1 1 1 -4  -31 39 o 30.023  3.0941  149.227   23.927    174.532   34.980    126.978   32.800    32.805  4.0683  27.241  4.6630  5.564226       6.188224 
1 1 1 -4  -30 1  o 46.492  2.1047  299.994   26.062    294.929   37.114    304.922   36.606    46.078  3.0240  46.907  2.9282  -0.8289833     4.209387 
1 1 1 -4  -30 2  o 42.219  2.1214  247.145   23.769    271.017   34.114    224.621   33.136    44.259  2.8936  40.179  3.1031  4.080055       4.242900 
1 1 1 -4  -30 3  f 23.723  2.6199  79.794    15.989    94.478    23.636    67.405    21.711    25.833  3.5066  21.613  3.8935  4.220066       5.239779 
1 1 1 -4  -30 4  o 15.798  2.9599  36.990    12.953    27.911    19.124    44.687    17.607    14.049  4.4952  17.547  3.8519  -3.498461      5.919808 
1 1 1 -4  -30 5  o 21.710  2.6564  66.334    14.771    81.516    22.402    54.658    19.646    23.973  3.6000  19.448  3.9071  4.524616       5.312794 
1 1 1 -4  -30 6  o 19.128  2.7784  52.656    13.699    55.057    20.527    50.729    18.394    19.487  4.0643  18.769  3.7893  0.7172775      5.556703 
1 1 1 -4  -30 7  o 56.563  2.1216  440.317   32.021    446.589   45.866    434.354   44.724    56.948  3.0177  56.178  2.9829  0.7699280      4.243181 
1 1 1 -4  -30 8  o 21.126  2.8189  64.184    15.304    63.754    22.723    64.542    20.704    20.992  4.1883  21.260  3.7739  -0.2688713     5.637741 
1 1 1 -4  -30 9  o 40.168  2.1518  222.311   22.941    239.778   33.021    206.014   31.895    41.725  2.9741  38.611  3.1105  3.114826       4.303528 
1 1 1 -4  -30 10 o 37.789  2.1834  197.194   21.812    220.408   31.298    175.272   30.414    40.017  2.9406  35.560  3.2284  4.456524       4.366898 
1 1 1 -4  -30 11 o 69.744  2.1872  667.513   40.857    670.289   58.029    664.784   57.536    69.884  3.1001  69.604  3.0861  0.2799683      4.374344 
1 1 1 -4  -30 12 o 75.307  2.2237  778.826   44.827    813.680   63.666    744.560   63.126    77.013  3.0864  73.602  3.2021  3.410484       4.447407 
1 1 1 -4  -30 13 o 36.685  2.2048  185.937   21.456    187.335   30.249    184.520   30.440    36.832  3.0948  36.537  3.1410  0.2958832      4.409505 
1 1 1 -4  -30 14 o 48.663  2.1162  325.524   27.448    322.787   38.578    328.329   39.061    48.458  2.9868  48.869  2.9986  -0.4106789     4.232336 
1 1 1 -4  -30 15 o 60.512  2.1430  502.512   34.672    493.929   48.686    511.346   49.390    59.947  3.0421  61.077  3.0191  -1.130680      4.285921 
1 1 1 -4  -30 16 o 34.002  2.2992  161.281   20.474    184.760   28.940    137.755   28.968    36.608  2.9772  31.396  3.5045  5.212156       4.598419 
1 1 1 -4  -30 17 o 32.067  2.3628  144.367   19.738    122.575   28.192    165.316   27.642    29.538  3.6404  34.597  3.0131  -5.058531      4.725578 
1 1 1 -4  -30 18 o 51.737  2.1465  368.728   29.607    375.561   41.712    361.791   42.031    52.241  2.9934  51.233  3.0772  1.008335       4.292984 
1 1 1 -4  -30 19 o 54.063  2.1278  402.953   30.654    419.744   43.033    385.656   43.677    55.255  2.9180  52.871  3.0978  2.384190       4.255662 
1 1 1 -4  -30 20 o 26.661  2.6291  100.584   18.244    106.777   26.164    94.722    25.452    27.500  3.6416  25.821  3.7932  1.679436       5.258294 
1 1 1 -4  -30 21 o 26.380  2.7533  99.530    18.695    84.526    26.226    115.031   26.658    24.189  4.2002  28.570  3.5609  -4.380272      5.506519 
1 1 1 -4  -30 22 f 24.627  2.8167  87.555    17.802    74.525    25.187    100.563   25.164    22.611  4.3162  26.642  3.6200  -4.031731      5.633318 
1 1 1 -4  -30 23 o 15.088  3.3373  32.950    14.966    32.031    22.043    33.735    20.385    14.959  4.8303  15.217  4.6064  -0.2580194     6.674634 
1 1 1 -4  -30 24 o 33.283  2.3750  155.792   20.842    146.801   29.587    164.648   29.364    32.265  3.4787  34.301  3.2343  -2.036510      4.749946 
1 1 1 -4  -30 25 o 24.789  2.9891  91.759    18.534    127.713   26.532    57.497    25.900    30.094  3.3484  19.484  4.9524  10.60976       5.978108 
1 1 1 -4  -30 26 o 34.785  2.4468  171.845   22.229    200.128   31.663    144.355   31.216    37.795  3.1566  31.774  3.7394  6.021074       4.893596 
1 1 1 -4  -30 27 o 67.401  2.2388  634.561   40.417    635.536   57.067    633.580   57.250    67.460  3.1583  67.342  3.1739  0.1175385      4.477591 
1 1 1 -4  -30 28 o 17.078  3.1392  45.178    16.444    14.207    24.465    70.700    22.209    12.214  4.9023  21.943  3.9226  -9.728988      6.278474 
1 1 1 -4  -30 29 o 10.570  2.9962  3.7388    14.625    -18.7030  21.559    22.869    19.905    8.2170  3.8577  12.922  4.5856  -4.704978      5.992451 
1 1 1 -4  -30 30 o 29.038  2.6658  122.853   20.213    131.653   29.172    114.728   28.033    30.093  3.6970  27.983  3.8415  2.109863       5.331522 
1 1 1 -4  -30 31 o 26.797  2.9024  107.371   20.115    102.312   28.964    112.084   27.956    26.046  4.3018  27.549  3.8975  -1.502161      5.804866 
1 1 1 -4  -30 32 o 13.361  3.4282  23.660    16.164    35.484    23.988    13.827    21.876    15.139  5.0475  11.582  4.6403  3.556657       6.856346 
1 1 1 -4  -30 33 o 33.360  2.7715  168.282   23.453    129.778   33.757    204.208   32.608    29.075  4.4786  37.645  3.2662  -8.570749      5.543070 
1 1 1 -4  -30 34 f 18.390  3.3547  55.863    18.708    22.085    27.485    85.023    25.537    13.218  5.2319  23.562  4.2003  -10.34435      6.709322 
1 1 1 -4  -30 35 o 12.150  3.3586  16.682    16.587    28.476    22.828    3.4926    24.141    13.742  4.9071  10.557  4.5872  3.184501       6.717267 
1 1 1 -4  -30 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -30 37 o 20.195  3.7148  68.830    20.378    82.001    30.114    57.704    27.679    22.072  5.1823  18.319  5.3238  3.753271       7.429553 
1 1 1 -4  -30 38 o 21.120  3.6181  75.704    20.504    95.434    30.100    58.622    28.008    24.000  4.8493  18.239  5.3710  5.760773       7.236280 
1 1 1 -4  -30 39 o 35.021  2.8070  192.052   25.775    177.308   36.368    206.932   36.536    33.434  4.1504  36.609  3.7805  -3.174606      5.614085 
1 1 1 -4  -30 40 o 8.6617  2.8553  -16.1266  16.720    -34.3029  23.168    3.6302    24.154    7.2324  3.5429  10.091  4.4787  -2.858614      5.710585 
1 1 1 -4  -29 1  o 30.738  2.2486  131.540   18.230    127.455   25.974    135.506   25.591    30.235  3.2589  31.242  3.0991  -1.007170      4.497170 
1 1 1 -4  -29 2  o 14.394  2.9556  29.620    12.036    31.431    17.818    28.099    16.323    14.774  4.2650  14.014  4.0928  0.7596397      5.911172 
1 1 1 -4  -29 3  o 11.678  2.8126  16.577    11.485    2.7985    17.395    27.226    15.291    9.5546  4.0139  13.802  3.9410  -4.247734      5.625189 
1 1 1 -4  -29 4  o 35.058  2.1535  169.603   19.999    166.931   28.811    172.087   27.781    34.762  3.1278  35.354  2.9610  -0.5919075     4.307060 
1 1 1 -4  -29 5  o 82.100  2.2857  924.180   50.231    972.321   71.914    878.318   70.192    84.213  3.1882  79.987  3.2762  4.226189       4.571476 
1 1 1 -4  -29 6  o 46.144  2.0490  291.380   25.186    302.246   36.170    281.152   35.090    46.984  2.8881  45.303  2.9072  1.681862       4.097929 
1 1 1 -4  -29 7  o 66.976  2.1153  612.130   37.862    668.653   54.289    558.602   52.831    70.025  2.8945  63.926  3.0855  6.099308       4.230591 
1 1 1 -4  -29 8  o 23.535  2.6367  79.073    15.846    66.786    23.057    90.069    21.813    21.617  4.1327  25.452  3.2757  -3.834747      5.273468 
1 1 1 -4  -29 9  o 57.723  2.0917  455.352   32.229    460.462   45.883    450.374   45.281    58.043  2.9612  57.404  2.9550  0.6384201      4.183364 
1 1 1 -4  -29 10 o 36.942  2.1314  187.476   20.819    207.923   29.700    167.722   29.193    38.980  2.8647  34.904  3.1567  4.075279       4.262769 
1 1 1 -4  -29 11 o 58.622  2.1036  469.427   32.903    502.489   46.636    436.659   46.428    60.757  2.8657  56.488  3.0802  4.269039       4.207165 
1 1 1 -4  -29 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -29 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -29 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -29 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -29 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -29 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -29 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -29 19 f 27.919  2.4859  109.038   18.069    121.278   25.624    96.931    25.484    29.571  3.2910  26.266  3.7268  3.304869       4.971874 
1 1 1 -4  -29 20 o 33.463  2.2697  155.064   20.031    167.773   28.330    142.360   28.325    34.895  3.0621  32.032  3.3510  2.862965       4.539340 
1 1 1 -4  -29 21 o 34.963  2.2739  169.719   20.956    182.391   29.185    156.234   30.109    36.390  3.0216  33.536  3.3989  2.854134       4.547779 
1 1 1 -4  -29 22 o 18.763  3.0406  51.472    15.000    44.161    21.601    58.280    20.844    17.390  4.5757  20.137  4.0055  -2.746832      6.081249 
1 1 1 -4  -29 23 o 53.567  2.1160  394.771   30.222    403.924   42.407    385.324   43.081    54.229  2.9304  52.905  3.0532  1.323273       4.231943 
1 1 1 -4  -29 24 o 34.129  2.3773  163.372   21.139    192.569   30.011    134.621   29.781    37.326  3.0279  30.933  3.6657  6.393597       4.754526 
1 1 1 -4  -29 25 o 56.894  2.1484  446.850   32.605    460.767   46.038    432.844   46.185    57.815  2.9831  55.972  3.0926  1.843174       4.296883 
1 1 1 -4  -29 26 o 14.883  3.3421  31.688    14.940    32.871    21.974    30.670    20.373    15.127  4.8162  14.639  4.6350  0.4872656      6.684272 
1 1 1 -4  -29 27 o 60.152  2.1742  501.613   34.911    509.649   49.645    493.752   49.103    60.635  3.0667  59.669  3.0829  0.9659386      4.348428 
1 1 1 -4  -29 28 o 18.701  3.3123  53.480    16.753    41.777    24.986    63.038    22.581    16.707  5.1090  20.694  4.2169  -3.986937      6.624506 
1 1 1 -4  -29 29 o 9.3303  2.8604  -4.8365   14.214    -23.2805  21.396    9.7347    19.018    7.9002  3.7491  10.760  4.3210  -2.860015      5.720777 
1 1 1 -4  -29 30 o 23.378  2.9957  81.578    17.958    70.196    25.860    92.179    24.957    21.554  4.6182  25.201  3.8168  -3.646648      5.991341 
1 1 1 -4  -29 31 o 22.551  3.0919  76.330    17.989    77.613    26.009    75.153    24.908    22.703  4.4362  22.400  4.3079  0.3030777      6.183701 
1 1 1 -4  -29 32 o 21.597  3.2343  73.735    18.348    46.822    26.453    98.686    25.471    17.229  5.2544  25.965  3.7727  -8.735924      6.468587 
1 1 1 -4  -29 33 o 36.940  2.4334  196.429   23.778    202.776   34.532    190.706   32.790    37.482  3.4793  36.398  3.4028  1.083893       4.866702 
1 1 1 -4  -29 34 o 38.068  2.4332  209.907   24.530    205.638   34.921    214.066   34.467    37.630  3.5049  38.505  3.3760  -0.8746910     4.866372 
1 1 1 -4  -29 35 o 22.267  3.3078  77.939    19.103    86.157    27.599    70.381    26.469    23.513  4.5467  21.022  4.8055  2.490263       6.615573 
1 1 1 -4  -29 36 o 30.604  2.7667  140.467   22.058    155.988   31.702    125.902   30.711    32.412  3.7190  28.796  4.0974  3.616280       5.533466 
1 1 1 -4  -29 37 o 14.204  3.7225  30.372    18.885    35.855    27.254    25.307    26.193    14.988  5.3606  13.421  5.1663  1.566958       7.444945 
1 1 1 -4  -29 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -29 39 o 23.527  3.4230  91.430    20.840    87.202    29.916    95.415    29.048    22.801  5.0332  24.254  4.6405  -1.452810      6.845993 
1 1 1 -4  -29 40 o 15.066  3.6555  37.683    19.112    57.143    27.070    18.342    26.987    17.916  5.2816  12.217  5.0552  5.699049       7.311006 
1 1 1 -4  -29 41 o 22.024  3.7089  88.096    21.827    71.644    31.143    103.981   30.601    19.387  5.6508  24.661  4.8055  -5.274439      7.417858 
1 1 1 -4  -29 42 o 13.190  3.5972  27.145    19.477    5.7304    27.187    49.728    27.918    10.512  4.7028  15.868  5.4445  -5.355839      7.194403 
1 1 1 -4  -28 1  o 15.839  2.8133  35.750    11.907    40.790    17.703    31.586    16.090    16.836  3.9872  14.842  3.9700  1.993817       5.626569 
1 1 1 -4  -28 2  o 34.529  2.0794  163.769   19.032    159.478   27.200    167.885   26.640    34.062  3.0124  34.997  2.8671  -0.9344101     4.158739 
1 1 1 -4  -28 3  o 25.523  2.4186  91.232    15.612    119.078   22.677    66.142    21.526    29.436  2.9145  21.609  3.8607  7.827108       4.837279 
1 1 1 -4  -28 4  o 50.671  2.0602  350.536   27.833    344.952   39.656    355.958   39.076    50.257  2.9590  51.085  2.8674  -0.8280296     4.120348 
1 1 1 -4  -28 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -28 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -28 7  o 63.870  2.6605  534.826   41.402    624.561   78.541    500.296   48.721    67.078  4.3958  60.663  2.9985  6.415142       5.321073 
1 1 1 -4  -28 8  o 38.500  2.0550  202.337   21.033    203.523   30.008    201.193   29.488    38.607  2.9236  38.393  2.8886  0.2141380      4.109970 
1 1 1 -4  -28 9  o 29.853  2.2240  122.755   17.476    116.313   25.002    128.908   24.437    29.047  3.2705  30.660  3.0147  -1.612841      4.447946 
1 1 1 -4  -28 10 o 38.505  2.0780  202.377   21.268    205.533   30.268    199.299   29.890    38.804  2.9338  38.205  2.9435  0.5989456      4.155926 
1 1 1 -4  -28 11 o 32.891  2.1787  148.810   18.821    128.824   26.518    169.098   26.717    30.587  3.2884  35.195  2.8588  -4.607859      4.357328 
1 1 1 -4  -28 12 o 43.097  2.0506  253.233   23.522    258.473   33.029    247.841   33.506    43.565  2.8462  42.629  2.9527  0.9360809      4.101139 
1 1 1 -4  -28 13 o 31.713  2.1945  138.082   18.307    122.078   25.592    154.855   26.199    29.774  3.2625  33.653  2.9360  -3.879345      4.389051 
1 1 1 -4  -28 14 f 28.213  2.3336  110.512   17.066    91.981    24.061    129.273   24.209    25.712  3.5918  30.714  2.9802  -5.002499      4.667226 
1 1 1 -4  -28 15 o 75.080  2.1637  766.878   43.466    806.092   61.429    727.557   61.512    77.034  2.9771  73.127  3.1404  3.906723       4.327323 
1 1 1 -4  -28 16 o 86.314  2.3212  1016.24   53.605    1065.23   75.585    966.672   76.034    88.450  3.1904  84.178  3.3723  4.272278       4.642332 
1 1 1 -4  -28 17 o 78.759  2.2023  844.743   46.430    871.129   65.306    817.775   66.023    80.031  3.0466  77.488  3.1811  2.543121       4.404620 
1 1 1 -4  -28 18 o 65.468  2.0739  582.379   36.359    566.791   51.028    598.456   51.822    64.573  2.9503  66.364  2.9154  -1.790771      4.147717 
1 1 1 -4  -28 19 o 43.355  2.0865  256.202   24.006    229.469   33.188    285.537   34.766    40.949  3.0477  45.760  2.8506  -4.811096      4.173087 
1 1 1 -4  -28 20 o 21.207  2.8493  63.895    15.581    64.488    22.533    63.351    21.568    21.284  4.1013  21.129  3.9563  0.1547070      5.698506 
1 1 1 -4  -28 21 o 37.876  2.1225  196.592   21.349    195.697   29.774    197.539   30.627    37.797  2.9647  37.955  3.0382  -0.1573067     4.244987 
1 1 1 -4  -28 22 o 61.019  3.9150  515.991   63.648    0.0000    0.0000    515.991   63.648    ?       ?       61.019  3.9150  ?              ?        
1 1 1 -4  -28 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -28 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -28 25 o 42.193  2.1507  245.138   24.114    232.763   34.167    257.420   34.038    41.094  3.1276  43.292  2.9530  -2.198128      4.301406 
1 1 1 -4  -28 26 o 49.134  2.1200  332.090   27.730    353.710   39.475    311.027   38.962    50.753  2.9161  47.515  3.0779  3.238026       4.239925 
1 1 1 -4  -28 27 o 23.710  2.7729  80.437    16.839    96.648    24.286    65.427    23.369    26.188  3.5541  21.233  4.2573  4.955282       5.545781 
1 1 1 -4  -28 28 o 63.497  2.1249  554.924   36.138    556.766   51.379    553.121   50.839    63.595  3.0163  63.399  2.9938  0.1956825      4.249811 
1 1 1 -4  -28 29 o 22.223  3.0057  72.031    17.182    89.059    24.927    56.617    23.717    24.925  3.8585  19.520  4.6098  5.404993       6.011482 
1 1 1 -4  -28 30 o 23.921  2.8637  82.543    17.617    95.793    25.931    71.185    24.008    25.806  3.8709  22.036  4.2213  3.770250       5.727386 
1 1 1 -4  -28 31 o 33.135  2.3999  155.744   20.902    147.465   30.369    163.197   28.812    32.189  3.5831  34.080  3.1935  -1.890984      4.799731 
1 1 1 -4  -28 32 o 59.152  2.1882  489.534   34.536    503.099   49.628    476.797   48.091    59.942  3.1017  58.362  3.0874  1.579967       4.376340 
1 1 1 -4  -28 33 o 12.648  3.2882  18.273    15.448    32.705    22.251    4.8441    21.463    14.818  4.8575  10.478  4.4331  4.340146       6.576329 
1 1 1 -4  -28 34 o 29.587  2.7350  128.921   20.758    155.592   29.732    103.555   28.995    32.894  3.4248  26.281  4.2652  6.612322       5.470012 
1 1 1 -4  -28 35 o 13.652  3.5096  25.679    16.933    34.746    24.130    16.882    23.768    15.035  5.0624  12.268  4.8623  2.767210       7.019220 
1 1 1 -4  -28 36 o 35.349  2.5230  182.735   23.484    199.015   33.480    166.965   32.950    37.034  3.4135  33.664  3.7162  3.369957       5.046004 
1 1 1 -4  -28 37 o 31.763  2.8903  153.385   23.063    199.653   33.239    110.427   32.028    37.020  3.3898  26.506  4.6824  10.51399       5.780644 
1 1 1 -4  -28 38 o 32.902  2.7868  163.323   24.053    157.456   33.970    169.223   34.062    32.230  4.0227  33.575  3.8578  -1.345188      5.573545 
1 1 1 -4  -28 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -28 40 o 38.048  2.7420  220.746   27.475    204.866   38.770    236.767   38.943    36.477  4.0357  39.619  3.7131  -3.141663      5.483948 
1 1 1 -4  -28 41 o 13.194  3.2018  17.428    17.766    55.527    24.751    -23.0635  25.516    17.947  4.9758  8.4421  4.0310  9.504685       6.403696 
1 1 1 -4  -28 42 o 21.719  3.6845  85.014    21.494    66.704    30.302    103.557   30.494    18.773  5.6012  24.665  4.7883  -5.892952      7.368974 
1 1 1 -4  -28 43 o 11.957  3.5278  18.700    19.303    6.1595    27.021    31.770    27.585    10.549  4.7062  13.365  5.2568  -2.815224      7.055624 
1 1 1 -4  -27 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -27 2  o 32.440  2.0887  143.846   17.895    158.807   25.811    129.999   24.832    34.098  2.8523  30.781  3.0521  3.316553       4.177441 
1 1 1 -4  -27 3  o 8.7858  2.5361  2.7275    9.8595    -5.8214   14.705    9.7096    13.289    7.7620  3.4666  9.8096  3.7029  -2.047598      5.072292 
1 1 1 -4  -27 4  o 61.546  2.0512  513.311   33.793    539.305   48.347    488.479   47.254    63.078  2.8616  60.013  2.9397  3.065758       4.102483 
1 1 1 -4  -27 5  o 44.628  1.9878  270.667   23.586    295.288   33.803    247.305   32.926    46.635  2.7179  42.622  2.9014  4.012569       3.975606 
1 1 1 -4  -27 6  o 31.279  2.0909  133.978   17.269    129.405   24.976    138.167   23.903    30.737  3.0750  31.821  2.8340  -1.084751      4.181814 
1 1 1 -4  -27 7  o 21.761  2.4269  66.475    13.558    59.417    19.785    72.723    18.616    20.569  3.7284  22.953  3.1079  -2.383448      4.853853 
1 1 1 -4  -27 8  o 56.933  2.0199  439.305   30.740    453.497   43.738    425.453   43.212    57.886  2.8210  55.980  2.8918  1.905205       4.039827 
1 1 1 -4  -27 9  o 38.888  1.9986  205.671   20.673    207.820   29.440    203.579   29.038    39.088  2.8311  38.687  2.8217  0.4011459      3.997140 
1 1 1 -4  -27 10 o 78.221  2.1970  829.698   46.018    856.938   65.384    802.960   64.778    79.505  3.0703  76.938  3.1434  2.567200       4.394094 
1 1 1 -4  -27 11 o 36.044  2.0713  177.147   19.754    159.438   27.659    195.583   28.222    34.166  3.0546  37.923  2.7982  -3.756523      4.142511 
1 1 1 -4  -27 12 o 13.934  2.9978  26.719    12.428    19.639    18.064    33.083    17.126    12.580  4.3759  15.288  4.0987  -2.707471      5.995621 
1 1 1 -4  -27 13 o 38.907  2.0556  206.194   21.253    211.707   29.836    200.515   30.282    39.452  2.8425  38.362  2.9702  1.089985       4.111172 
1 1 1 -4  -27 14 o 62.158  2.0297  523.058   33.744    486.452   47.299    561.004   48.156    59.926  2.9468  64.391  2.7921  -4.465744      4.059498 
1 1 1 -4  -27 15 o 60.494  2.0416  495.456   33.067    475.957   46.387    515.600   47.149    59.277  2.9216  61.712  2.8524  -2.435608      4.083183 
1 1 1 -4  -27 16 f 62.537  2.0388  529.576   34.143    513.677   47.910    545.982   48.670    61.578  2.9048  63.496  2.8617  -1.917435      4.077619 
1 1 1 -4  -27 17 o 34.072  2.1210  158.606   19.157    159.832   26.993    157.362   27.192    34.211  2.9754  33.933  3.0234  0.2777443      4.241945 
1 1 1 -4  -27 18 o 42.215  2.0296  242.404   22.801    232.038   31.847    253.306   32.659    41.279  2.8987  43.151  2.8415  -1.872219      4.059191 
1 1 1 -4  -27 19 o 79.620  2.2061  861.922   47.007    888.146   65.840    834.657   67.134    80.885  3.0390  78.354  3.1988  2.530434       4.412286 
1 1 1 -4  -27 20 o 28.733  2.3157  114.217   17.340    130.424   24.603    98.221    24.443    30.851  3.0159  26.614  3.5149  4.237873       4.631437 
1 1 1 -4  -27 21 o 28.494  2.3046  111.937   17.271    113.778   24.492    110.116   24.357    28.735  3.2387  28.253  3.2796  0.4819717      4.609269 
1 1 1 -4  -27 22 o 16.106  2.9817  36.982    13.650    21.410    19.428    52.165    19.184    13.040  4.5379  19.173  3.8689  -6.133732      5.963329 
1 1 1 -4  -27 23 o 63.283  2.0675  544.400   35.044    542.629   49.293    546.210   49.830    63.183  2.9127  63.384  2.9351  -0.2009811     4.135049 
1 1 1 -4  -27 24 o 12.911  3.0449  21.876    12.480    17.114    17.853    26.427    17.453    12.016  4.3341  13.807  4.2780  -1.790709      6.089811 
1 1 1 -4  -27 25 o 44.034  2.0888  265.385   24.483    257.890   34.701    272.814   34.549    43.396  3.0038  44.671  2.9032  -1.275265      4.177511 
1 1 1 -4  -27 26 o 37.440  3.7737  195.197   37.328    0.0000    0.0000    195.197   37.328    ?       ?       37.440  3.7737  ?              ?        
1 1 1 -4  -27 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -27 28 o 12.532  3.1561  17.096    14.452    1.4907    20.923    31.334    19.985    10.209  4.3505  14.855  4.5736  -4.645685      6.312243 
1 1 1 -4  -27 29 o 73.657  2.2219  746.228   43.824    770.269   62.376    722.792   61.585    74.847  3.1114  72.466  3.1728  2.380959       4.443827 
1 1 1 -4  -27 30 o 21.486  2.9744  66.838    16.443    69.613    24.519    64.570    22.167    21.849  4.3427  21.122  4.0657  0.7270794      5.948813 
1 1 1 -4  -27 31 o 68.972  2.1951  657.596   40.547    666.123   57.902    649.390   56.799    69.403  3.1148  68.540  3.0939  0.8627853      4.390218 
1 1 1 -4  -27 32 o 20.148  3.0579  57.728    16.776    99.911    25.656    26.218    22.174    26.418  3.7295  13.879  4.8471  12.53887       6.115799 
1 1 1 -4  -27 33 o 13.035  3.3003  21.112    15.217    9.8358    21.576    32.272    21.465    11.228  4.5689  14.843  4.7637  -3.614832      6.600590 
1 1 1 -4  -27 34 o 31.329  2.5508  140.934   20.793    164.215   29.918    119.184   28.918    34.012  3.3266  28.646  3.8679  5.366745       5.101668 
1 1 1 -4  -27 35 o 18.651  3.4067  54.297    17.298    45.276    24.670    63.021    24.260    17.027  5.0480  20.275  4.5760  -3.247326      6.813331 
1 1 1 -4  -27 36 f 14.454  3.4613  30.259    16.605    43.189    23.628    17.643    23.341    16.560  4.9473  12.348  4.8423  4.211699       6.922666 
1 1 1 -4  -27 37 o 21.405  3.3451  73.033    18.903    93.493    26.757    52.645    26.710    24.836  4.1701  17.974  5.2315  6.861975       6.690180 
1 1 1 -4  -27 38 o 30.694  2.8831  142.120   23.024    157.305   33.169    128.000   31.985    32.438  3.8956  28.951  4.2514  3.487051       5.766284 
1 1 1 -4  -27 39 o 18.764  3.7059  58.985    19.568    48.911    27.599    69.168    27.748    17.052  5.3943  20.477  5.0829  -3.424520      7.411768 
1 1 1 -4  -27 40 o 24.435  3.4156  100.987   22.116    47.102    31.045    156.513   31.514    16.549  5.7377  32.322  3.7071  -15.77381      6.831117 
1 1 1 -4  -27 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -27 42 o 23.738  3.5554  96.239    21.949    81.045    31.055    111.404   31.026    21.376  5.4172  26.101  4.6063  -4.725733      7.110816 
1 1 1 -4  -27 43 o 23.168  3.6948  95.787    22.417    103.840   31.556    87.583    31.851    24.476  4.9829  21.860  5.4568  2.615940       7.389597 
1 1 1 -4  -27 44 o 12.830  3.6166  26.847    19.033    16.706    26.466    37.707    27.390    11.517  4.8999  14.143  5.3208  -2.626046      7.233259 
1 1 1 -4  -26 1  o 40.185  1.9825  219.618   21.183    231.982   30.132    207.537   29.785    41.323  2.7379  39.047  2.8679  2.275177       3.964987 
1 1 1 -4  -26 2  o 70.356  2.1006  670.303   39.569    697.817   56.445    643.716   55.486    71.785  2.9356  68.928  3.0054  2.857101       4.201239 
1 1 1 -4  -26 3  o 14.537  2.7221  29.940    10.930    23.006    15.685    36.485    15.239    13.009  4.0596  16.064  3.6275  -3.055533      5.444192 
1 1 1 -4  -26 4  o 47.221  1.9675  302.396   24.755    318.363   35.276    286.903   34.747    48.464  2.7286  45.977  2.8354  2.486988       3.935038 
1 1 1 -4  -26 5  f 22.401  2.3358  69.048    13.525    79.321    19.923    60.268    18.419    23.993  3.1784  20.809  3.4238  3.184366       4.671680 
1 1 1 -4  -26 6  o 34.062  1.9789  157.750   17.853    171.938   25.583    144.283   24.925    35.581  2.7046  32.543  2.8896  3.038643       3.957816 
1 1 1 -4  -26 7  o 25.828  2.1427  91.437    14.485    101.228   20.786    82.194    20.196    27.216  2.8959  24.441  3.1588  2.774515       4.285388 
1 1 1 -4  -26 8  o 35.281  2.0046  169.218   18.782    172.097   26.670    166.386   26.454    35.583  2.8215  34.979  2.8484  0.6042175      4.009217 
1 1 1 -4  -26 9  o 24.519  2.3249  84.336    14.416    62.513    20.409    106.063   20.365    21.145  3.7405  27.894  2.7620  -6.748726      4.649716 
1 1 1 -4  -26 10 o 25.909  2.2325  92.165    15.170    91.595    21.597    92.719    21.314    25.822  3.1904  25.996  3.1236  -0.1734085     4.464939 
1 1 1 -4  -26 11 o 100.847 2.4230  1379.06   65.444    1403.38   92.763    1354.96   92.342    101.740 3.4040  99.953  3.4492  1.786522       4.846048 
1 1 1 -4  -26 12 o 72.838  2.0888  717.277   40.741    732.451   57.470    701.946   57.765    73.621  2.9144  72.054  2.9931  1.567085       4.177566 
1 1 1 -4  -26 13 o 39.852  1.9740  215.475   20.933    214.393   29.270    216.608   29.950    39.754  2.7661  39.951  2.8169  -0.1963844     3.947934 
1 1 1 -4  -26 14 o 60.611  1.9946  496.281   32.378    499.043   45.512    493.451   46.073    60.787  2.7953  60.436  2.8462  0.3508682      3.989280 
1 1 1 -4  -26 15 o 30.545  2.1308  127.557   17.176    133.591   24.092    121.320   24.495    31.307  2.9062  29.782  3.1169  1.525534       4.261559 
1 1 1 -4  -26 16 o 17.351  2.7065  42.419    12.244    46.830    17.728    38.396    16.930    18.232  3.7553  16.469  3.8985  1.763849       5.413003 
1 1 1 -4  -26 17 o 91.606  2.2875  1137.68   56.117    1152.90   79.001    1122.19   79.728    92.237  3.1977  90.975  3.2719  1.261795       4.574984 
1 1 1 -4  -26 18 o 34.899  2.0570  166.064   19.028    172.606   26.667    159.278   27.161    35.623  2.8178  34.176  2.9974  1.446945       4.113914 
1 1 1 -4  -26 19 o 45.663  1.9563  283.233   23.785    295.293   33.381    270.796   33.899    46.673  2.6815  44.653  2.8491  2.019459       3.912525 
1 1 1 -4  -26 20 o 36.055  2.0303  177.473   19.376    192.576   27.300    162.144   27.505    37.643  2.7261  34.466  3.0096  3.176769       4.060692 
1 1 1 -4  -26 21 o 23.159  2.5345  75.439    14.968    91.335    21.213    59.679    21.122    25.760  3.1394  20.558  3.9797  5.201681       5.068909 
1 1 1 -4  -26 22 o 46.841  1.9531  298.151   24.382    307.333   34.387    288.868   34.578    47.581  2.7094  46.100  2.8138  1.480732       3.906124 
1 1 1 -4  -26 23 o 42.730  2.0006  248.621   22.741    263.013   32.259    234.402   32.065    43.984  2.7520  41.477  2.9046  2.506737       4.001276 
1 1 1 -4  -26 24 o 65.093  2.0625  575.392   35.925    545.737   50.749    605.180   50.862    63.390  2.9890  66.797  2.8428  -3.407475      4.124975 
1 1 1 -4  -26 25 o 46.740  1.9842  297.437   24.724    300.673   35.174    294.277   34.761    46.992  2.8074  46.489  2.8047  0.5034637      3.968372 
1 1 1 -4  -26 26 o 51.924  2.0120  367.312   27.872    374.929   39.667    359.884   39.172    52.461  2.8335  51.387  2.8573  1.073784       4.023991 
1 1 1 -4  -26 27 o 43.466  2.0713  258.845   23.918    243.310   34.177    273.758   33.485    42.143  3.0483  44.789  2.8053  -2.645927      4.142685 
1 1 1 -4  -26 28 o 44.100  2.0886  266.077   24.514    273.438   35.410    259.302   33.971    44.680  2.9759  43.519  2.9313  1.160664       4.177146 
1 1 1 -4  -26 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -26 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -26 31 o 30.834  2.4494  134.382   19.616    117.401   28.522    149.625   27.022    28.819  3.7866  32.849  3.1082  -4.030207      4.898857 
1 1 1 -4  -26 32 o 11.131  3.0799  8.9310    14.198    21.605    19.700    -4.7644   20.479    12.919  4.5643  9.3431  4.1364  3.575900       6.159799 
1 1 1 -4  -26 33 o 43.299  2.2147  261.544   25.436    243.864   36.353    278.503   35.603    41.780  3.2747  44.819  2.9828  -3.038315      4.429496 
1 1 1 -4  -26 34 o 33.903  2.4241  162.794   21.638    150.896   30.802    174.387   30.403    32.583  3.5889  35.223  3.2595  -2.640148      4.848121 
1 1 1 -4  -26 35 o 24.539  2.9491  88.623    18.681    92.505    26.892    85.002    25.971    25.080  4.1481  23.998  4.1930  1.082283       5.898186 
1 1 1 -4  -26 36 o 22.182  3.2047  74.874    18.396    66.258    26.014    83.493    26.018    20.731  4.7822  23.633  4.2673  -2.901588      6.409318 
1 1 1 -4  -26 37 o 15.760  3.4559  37.769    16.856    52.605    23.928    23.152    23.750    18.304  4.8156  13.217  4.9582  5.087296       6.911870 
1 1 1 -4  -26 38 o 31.376  2.8466  147.766   22.978    173.518   32.548    122.178   32.444    34.477  3.5766  28.274  4.4295  6.203085       5.693174 
1 1 1 -4  -26 39 o 17.811  3.5686  51.596    18.416    67.626    26.227    36.005    25.865    20.519  4.8488  15.102  5.2372  5.416777       7.137176 
1 1 1 -4  -26 40 o 23.479  3.4073  88.786    20.707    81.260    29.423    96.173    29.148    22.272  5.0487  24.685  4.5770  -2.413050      6.814576 
1 1 1 -4  -26 41 o 10.346  3.2169  -0.2837   17.441    11.304    25.708    -10.1659  23.741    11.551  4.8674  9.1411  4.2074  2.409417       6.433796 
1 1 1 -4  -26 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -26 43 o 17.150  3.8270  51.334    21.100    28.266    29.108    76.876    30.630    13.563  5.3792  20.736  5.4451  -7.173314      7.654035 
1 1 1 -4  -26 44 o 13.702  3.7739  31.816    19.935    29.280    27.578    34.592    28.851    13.346  5.2539  14.058  5.4191  -0.7116127     7.547882 
1 1 1 -4  -26 45 o 27.311  3.7578  138.572   26.483    138.939   36.814    138.179   38.125    27.545  5.1800  27.077  5.4455  0.4673557      7.515673 
1 1 1 -4  -25 1  o 61.611  2.0124  512.892   33.201    530.385   47.272    495.864   46.640    62.654  2.8169  60.569  2.8748  2.084396       4.024892 
1 1 1 -4  -25 2  o 83.539  2.2197  945.133   49.632    911.639   70.572    977.913   69.816    82.053  3.2111  85.024  3.0656  -2.971382      4.439490 
1 1 1 -4  -25 3  o 60.257  1.9928  490.149   32.161    497.333   45.828    483.177   45.145    60.692  2.8191  59.822  2.8174  0.8697624      3.985607 
1 1 1 -4  -25 4  o 30.567  2.0207  127.201   16.340    133.230   23.253    121.320   22.965    31.298  2.8035  29.836  2.9108  1.461866       4.041372 
1 1 1 -4  -25 5  o 120.824 2.6980  1981.38   87.294    2041.62   124.417   1922.96   122.510   122.644 3.7874  119.003 3.8435  3.640884       5.395991 
1 1 1 -4  -25 6  o 50.582  1.9301  345.917   26.052    349.126   37.058    342.783   36.631    50.814  2.7328  50.350  2.7263  0.4638023      3.860168 
1 1 1 -4  -25 7  o 83.502  2.1993  941.453   49.169    979.961   70.109    904.180   68.975    85.190  3.0725  81.814  3.1476  3.376732       4.398577 
1 1 1 -4  -25 8  o 83.001  2.2043  930.109   48.980    971.773   69.762    889.604   68.784    84.844  3.0698  81.158  3.1642  3.686401       4.408630 
1 1 1 -4  -25 9  o 71.827  2.0689  695.891   39.792    716.850   56.406    675.126   56.143    72.910  2.8883  70.744  2.9629  2.166374       4.137785 
1 1 1 -4  -25 10 o 129.674 2.8142  2280.96   97.735    2329.99   138.710   2232.63   137.731   131.069 3.9511  128.278 4.0086  2.791092       5.628487 
1 1 1 -4  -25 11 o 78.732  2.1662  836.570   45.673    852.415   64.524    820.658   64.660    79.486  3.0307  77.979  3.0958  1.507149       4.332337 
1 1 1 -4  -25 12 o 56.393  1.9528  428.419   29.494    421.382   41.329    435.721   42.102    55.921  2.7592  56.864  2.7642  -0.9428787     3.905688 
1 1 1 -4  -25 13 o 44.149  1.9557  263.483   22.982    246.154   32.070    281.776   32.950    42.642  2.8238  45.655  2.7065  -3.012470      3.911411 
1 1 1 -4  -25 14 o 51.496  1.9436  358.398   26.701    360.336   37.330    356.369   38.208    51.645  2.7080  51.346  2.7887  0.2994690      3.887153 
1 1 1 -4  -25 15 f 118.025 2.6238  1887.15   82.944    1873.02   116.964   1901.44   117.638   117.579 3.7139  118.471 3.7072  -0.8912277     5.247542 
1 1 1 -4  -25 16 o 37.676  1.9956  192.158   19.967    179.810   27.678    205.558   28.833    36.403  2.8618  38.950  2.7820  -2.547169      3.991137 
1 1 1 -4  -25 17 o 27.601  2.2438  104.995   15.853    79.088    21.998    132.982   22.865    23.917  3.5410  31.286  2.7567  -7.368732      4.487557 
1 1 1 -4  -25 18 o 65.042  1.9904  570.712   34.671    565.898   48.579    575.710   49.498    64.765  2.8004  65.319  2.8292  -0.5540848     3.980726 
1 1 1 -4  -25 19 o 114.109 2.5922  1766.94   79.221    1736.15   111.671   1798.14   112.402   113.100 3.6863  115.118 3.6454  -2.018364      5.184368 
1 1 1 -4  -25 20 f 49.273  1.9334  328.481   25.398    311.599   35.488    346.207   36.365    47.964  2.7742  50.582  2.6938  -2.617325      3.866846 
1 1 1 -4  -25 21 o 26.556  2.2466  96.972    15.624    103.252   22.012    90.595    22.180    27.462  3.0437  25.650  3.3054  1.812664       4.493265 
1 1 1 -4  -25 22 o 55.947  1.9557  423.567   29.225    399.599   41.059    448.179   41.607    54.294  2.8332  57.601  2.6968  -3.307053      3.911475 
1 1 1 -4  -25 23 o 23.484  2.4252  76.534    14.787    73.328    21.048    79.660    20.778    22.964  3.5354  24.004  3.3207  -1.039835      4.850357 
1 1 1 -4  -25 24 o 42.126  1.9677  241.169   22.076    240.924   31.345    241.410   31.097    42.102  2.7955  42.150  2.7699  -0.4814529E-01 3.935321 
1 1 1 -4  -25 25 o 37.405  2.0288  190.902   20.144    184.895   28.912    196.568   28.083    36.809  2.9574  38.001  2.7783  -1.191578      4.057698 
1 1 1 -4  -25 26 o 80.506  2.1917  880.927   47.257    876.670   67.104    885.116   66.562    80.305  3.1197  80.706  3.0791  -0.4014053     4.383373 
1 1 1 -4  -25 27 o 17.107  3.0248  42.993    14.360    25.877    21.257    57.363    19.477    14.054  4.7514  20.160  3.7447  -6.106304      6.049679 
1 1 1 -4  -25 28 o 49.237  2.0166  332.000   26.345    305.417   38.082    356.398   36.483    47.279  3.0230  51.195  2.6699  -3.916069      4.033233 
1 1 1 -4  -25 29 o 61.449  2.0641  514.325   33.948    506.063   48.715    522.125   47.333    60.947  2.9842  61.952  2.8525  -1.005112      4.128186 
1 1 1 -4  -25 30 o 17.284  3.0725  44.228    15.036    23.258    22.115    62.252    20.503    13.622  4.8335  20.945  3.7943  -7.323487      6.144906 
1 1 1 -4  -25 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -25 32 o 34.411  4.4360  169.049   39.935    169.049   39.935    0.0000    0.0000    34.411  4.4360  ?       ?       ?              ?        
1 1 1 -4  -25 33 o 37.975  2.2739  200.391   22.901    194.896   32.479    205.824   32.297    37.430  3.2725  38.521  3.1581  -1.090530      4.547787 
1 1 1 -4  -25 34 o 49.639  2.2035  341.995   29.140    337.309   41.508    346.548   40.919    49.277  3.1616  50.000  3.0702  -0.7234688     4.407018 
1 1 1 -4  -25 35 o 33.445  2.4934  158.788   21.820    179.984   30.999    137.973   30.719    35.809  3.2679  31.081  3.7669  4.728420       4.986845 
1 1 1 -4  -25 36 o 11.944  3.3287  13.867    15.836    7.8979    22.319    19.919    22.473    11.089  4.5936  12.798  4.8188  -1.709706      6.657481 
1 1 1 -4  -25 37 o 46.167  2.3013  301.890   28.243    291.977   40.372    311.392   39.525    45.349  3.3474  46.984  3.1591  -1.634106      4.602693 
1 1 1 -4  -25 38 o 9.0620  2.9046  -8.3391   15.280    -4.0734   21.603    -12.6099  21.616    9.4537  4.2134  8.6703  3.9994  0.7833624      5.809254 
1 1 1 -4  -25 39 o 16.372  3.5595  42.413    17.923    57.163    25.064    26.980    25.638    18.913  4.9059  13.831  5.1587  5.082770       7.119043 
1 1 1 -4  -25 40 o 14.826  3.7279  34.218    18.666    37.233    25.809    30.911    27.028    15.289  5.2351  14.363  5.3086  0.9262962      7.455739 
1 1 1 -4  -25 41 o 17.597  3.7812  51.162    20.521    30.638    28.503    73.252    29.570    14.283  5.4152  20.911  5.2788  -6.628946      7.562434 
1 1 1 -4  -25 42 o 16.950  3.8765  48.332    20.750    32.779    28.658    65.470    30.083    14.474  5.4432  19.427  5.5211  -4.952820      7.753100 
1 1 1 -4  -25 43 o 25.446  8.3268  154.076   65.396    154.076   65.396    0.0000    0.0000    25.446  8.3268  ?       ?       ?              ?        
1 1 1 -4  -25 44 o 27.338  3.5486  126.839   25.017    128.035   34.970    125.585   35.803    27.594  4.9115  27.083  5.1232  0.5111866      7.097207 
1 1 1 -4  -25 45 o 18.911  4.0054  69.265    21.996    61.921    30.856    76.853    31.365    17.772  5.7124  20.051  5.6163  -2.279314      8.010875 
1 1 1 -4  -24 1  o 45.569  1.9108  281.077   23.193    267.832   32.884    294.188   32.718    44.484  2.7737  46.653  2.6290  -2.169212      3.821633 
1 1 1 -4  -24 2  o 96.837  2.3806  1268.75   61.691    1216.81   87.731    1319.56   86.766    94.851  3.4532  98.823  3.2780  -3.971634      4.761247 
1 1 1 -4  -24 3  o 44.068  1.9020  262.851   22.304    246.831   31.656    278.645   31.431    42.714  2.7821  45.422  2.5943  -2.708530      3.804014 
1 1 1 -4  -24 4  o 41.206  1.9069  229.659   20.922    224.235   29.761    234.958   29.417    40.716  2.7450  41.696  2.6477  -0.9803619     3.813841 
1 1 1 -4  -24 5  o 45.993  1.9210  285.994   23.535    274.558   33.523    297.109   33.050    45.072  2.7905  46.914  2.6409  -1.842724      3.842039 
1 1 1 -4  -24 6  o 73.724  2.0858  731.978   41.168    763.784   58.627    701.041   57.822    75.310  2.9064  72.138  2.9925  3.171516       4.171618 
1 1 1 -4  -24 7  o 65.095  2.0377  570.686   35.512    553.554   50.381    587.602   50.064    64.117  2.9336  66.072  2.8289  -1.954941      4.075408 
1 1 1 -4  -24 8  o 56.467  1.9534  429.698   29.469    450.079   41.770    409.501   41.581    57.843  2.6960  55.091  2.8274  2.752476       3.906746 
1 1 1 -4  -24 9  o 40.389  1.9561  220.446   21.030    214.977   29.556    226.054   29.930    39.877  2.7846  40.902  2.7480  -1.024204      3.912185 
1 1 1 -4  -24 10 o 50.831  1.9329  348.798   26.197    362.424   36.883    334.926   37.215    51.846  2.6650  49.817  2.8004  2.029076       3.865804 
1 1 1 -4  -24 11 o 15.748  2.7709  34.877    12.628    14.263    18.100    54.426    17.626    11.686  4.3393  19.810  3.4469  -8.124091      5.541728 
1 1 1 -4  -24 12 o 70.403  2.0492  667.035   38.638    666.104   54.213    667.995   55.084    70.356  2.8768  70.451  2.9191  -0.9481049E-01 4.098422 
1 1 1 -4  -24 13 o 153.103 3.1762  3176.39   130.248   3184.64   184.048   3168.12   184.350   153.306 4.4821  152.900 4.5014  0.4058990      6.352306 
1 1 1 -4  -24 14 o 109.345 2.4934  1613.02   73.024    1591.90   102.854   1634.48   103.694   108.621 3.5352  110.068 3.5173  -1.447197      4.986888 
1 1 1 -4  -24 15 o 149.129 3.1036  3013.63   123.966   3023.16   174.985   3004.04   175.645   149.371 4.3737  148.886 4.4045  0.4853058      6.207115 
1 1 1 -4  -24 16 o 23.762  2.4615  78.263    15.083    87.173    21.077    68.911    21.592    25.235  3.1895  22.288  3.7500  2.946941       4.922981 
1 1 1 -4  -24 17 o 21.600  2.4778  64.693    13.813    59.658    19.599    69.662    19.470    20.713  3.6668  22.486  3.3336  -1.772284      4.955683 
1 1 1 -4  -24 18 o 148.751 3.0897  3002.96   123.099   2977.95   173.667   3028.22   174.511   148.126 4.3772  149.377 4.3616  -1.251923      6.179312 
1 1 1 -4  -24 19 o 40.798  1.9609  225.095   21.295    220.368   29.682    230.109   30.569    40.357  2.7626  41.240  2.7838  -0.8831291     3.921883 
1 1 1 -4  -24 20 f 79.766  2.1197  858.670   45.264    885.440   63.763    831.476   64.266    81.031  2.9378  78.501  3.0564  2.530289       4.239403 
1 1 1 -4  -24 21 o 47.935  1.9281  311.052   24.617    328.186   34.685    293.661   34.944    49.286  2.6370  46.584  2.8137  2.701481       3.856263 
1 1 1 -4  -24 22 o 21.229  2.5106  62.800    13.742    57.988    19.545    67.504    19.325    20.370  3.7194  22.089  3.3734  -1.718735      5.021278 
1 1 1 -4  -24 23 o 18.699  2.7048  49.141    13.084    51.225    18.880    47.215    18.149    19.088  3.8262  18.309  3.8241  0.7780685      5.409538 
1 1 1 -4  -24 24 o 38.915  1.9962  206.170   20.608    195.133   29.675    216.451   28.640    37.877  2.9483  39.953  2.6920  -2.075966      3.992400 
1 1 1 -4  -24 25 o 79.558  2.1580  857.147   45.963    894.190   65.473    821.153   64.540    81.266  3.0079  77.851  3.0951  3.414474       4.315917 
1 1 1 -4  -24 26 o 48.831  1.9562  324.123   25.435    308.988   36.435    338.511   35.524    47.691  2.8656  49.972  2.6637  -2.280991      3.912379 
1 1 1 -4  -24 27 o 9.6515  2.7586  4.9901    11.302    -1.7332   16.582    10.824    15.446    8.8213  3.8172  10.482  3.9835  -1.660424      5.517196 
1 1 1 -4  -24 28 o 74.744  2.1314  758.998   42.651    752.017   61.070    765.646   59.593    74.391  3.0649  75.098  2.9626  -0.7067566     4.262735 
1 1 1 -4  -24 29 o 68.469  2.1068  637.454   38.615    629.976   55.347    644.546   53.902    68.058  3.0362  68.880  2.9216  -0.8216171     4.213576 
1 1 1 -4  -24 30 o 60.965  2.0642  506.782   33.604    486.368   48.055    526.318   47.009    59.693  3.0153  62.236  2.8200  -2.542198      4.128467 
1 1 1 -4  -24 31 o 51.930  2.0656  369.300   28.545    348.263   40.910    389.260   39.849    50.438  3.0424  53.422  2.7946  -2.984783      4.131136 
1 1 1 -4  -24 32 o 39.938  2.2355  219.947   23.551    251.922   33.744    189.580   32.885    42.856  2.9578  37.019  3.3528  5.836712       4.471026 
1 1 1 -4  -24 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -24 34 o 40.496  2.2675  227.380   24.391    225.509   34.680    229.212   34.311    40.317  3.2388  40.676  3.1744  -0.3592072     4.535039 
1 1 1 -4  -24 35 o 41.345  2.3036  238.559   25.231    219.824   35.742    257.167   35.621    39.645  3.3987  43.045  3.1105  -3.399857      4.607235 
1 1 1 -4  -24 36 o 10.083  3.0047  -4.1524   15.412    -26.7456  22.184    16.922    21.426    7.8821  3.7622  12.284  4.6860  -4.401432      6.009418 
1 1 1 -4  -24 37 o 35.205  2.5005  176.321   23.224    187.448   33.066    165.488   32.627    36.367  3.4352  34.043  3.6343  2.324398       5.000939 
1 1 1 -4  -24 38 o 10.803  3.1979  6.0846    15.723    12.093    21.716    -0.5364   22.796    11.470  4.6133  10.136  4.4299  1.333176       6.395831 
1 1 1 -4  -24 39 o 29.144  3.0355  129.048   22.131    167.862   31.565    91.522    31.038    34.090  3.5070  24.197  4.9557  9.893394       6.071018 
1 1 1 -4  -24 40 f 15.358  3.3542  30.016    18.487    -4.1216   25.560    67.467    26.772    10.163  4.5523  20.552  4.9272  -10.38935      6.708322 
1 1 1 -4  -24 41 o 14.959  3.5832  32.101    18.596    11.167    25.624    55.395    27.030    11.647  4.8812  18.271  5.2469  -6.623899      7.166355 
1 1 1 -4  -24 42 o 26.885  3.3128  114.950   22.910    128.610   32.654    101.708   32.150    28.751  4.3786  25.020  4.9727  3.730791       6.625666 
1 1 1 -4  -24 43 o 20.722  5.3114  82.722    34.510    70.234    40.019    118.945   68.159    19.214  6.5192  22.229  8.3871  -3.015484      10.62282 
1 1 1 -4  -24 44 f 8.9166  2.9320  -18.4785  17.704    2.0767    24.776    -39.9255  25.308    10.305  4.5566  7.5282  3.6909  2.776716       5.863918 
1 1 1 -4  -24 45 o 16.496  4.0187  50.981    21.505    50.034    29.771    52.015    31.099    16.391  5.6224  16.600  5.7435  -0.2085686     8.037332 
1 1 1 -4  -24 46 o 12.901  3.7288  23.293    21.150    6.1261    28.669    43.794    31.329    10.813  4.8339  14.990  5.6788  -4.176687      7.457572 
1 1 1 -4  -23 1  o 121.325 2.7219  1990.24   88.446    1987.72   125.765   1992.70   124.409   121.243 3.8727  121.408 3.8257  -0.1657104     5.443742 
1 1 1 -4  -23 2  o 132.369 2.9042  2370.85   102.933   2317.47   146.212   2423.31   144.935   130.870 4.1711  133.867 4.0421  -2.996964      5.808353 
1 1 1 -4  -23 3  o 44.067  1.9096  262.041   22.422    272.282   31.933    252.083   31.490    44.924  2.6658  43.211  2.7349  1.713112       3.819189 
1 1 1 -4  -23 4  o 100.187 2.3974  1352.07   64.281    1427.28   91.648    1279.24   90.183    102.941 3.3239  97.434  3.4556  5.506950       4.794741 
1 1 1 -4  -23 5  o 11.793  2.5538  16.088    9.7391    30.867    14.436    3.7436    13.194    14.841  3.6555  8.7438  3.5671  6.097546       5.107567 
1 1 1 -4  -23 6  o 53.656  1.9301  387.740   27.662    373.040   39.354    402.096   38.891    52.607  2.8030  54.705  2.6542  -2.097328      3.860289 
1 1 1 -4  -23 7  f 65.271  1.9846  572.522   34.690    587.709   49.310    557.640   48.812    66.130  2.7839  64.413  2.8292  1.717598       3.969154 
1 1 1 -4  -23 8  o 73.674  2.0851  729.729   41.139    745.999   58.220    713.504   58.138    74.497  2.9177  72.851  2.9795  1.646309       4.170176 
1 1 1 -4  -23 9  o 105.416 2.4541  1496.11   69.275    1456.34   97.945    1535.92   97.994    104.007 3.5158  106.825 3.4248  -2.818222      4.908185 
1 1 1 -4  -23 10 o 185.700 3.6946  4671.27   183.764   4713.81   260.079   4628.86   259.684   186.552 5.2049  184.848 5.2450  1.704636       7.389245 
1 1 1 -4  -23 11 o 99.919  2.3770  1343.45   63.583    1287.90   89.510    1400.04   90.336    97.826  3.4161  102.012 3.3061  -4.185669      4.753952 
1 1 1 -4  -23 12 o 37.756  2.0523  192.458   20.578    186.731   28.403    198.785   29.855    37.166  2.8756  38.347  2.9288  -1.181221      4.104509 
1 1 1 -4  -23 13 o 32.657  2.2264  146.397   18.615    106.209   25.897    189.362   26.777    27.865  3.5504  37.449  2.6873  -9.584314      4.452770 
1 1 1 -4  -23 14 o 163.847 3.3285  3630.14   146.070   3654.17   206.175   3605.93   206.974   164.400 4.6822  163.294 4.7321  1.105408       6.656995 
1 1 1 -4  -23 15 o 127.586 2.7546  2194.79   94.134    2177.70   132.580   2212.16   133.678   127.085 3.8949  128.087 3.8964  -1.001060      5.509283 
1 1 1 -4  -23 16 o 144.086 3.0113  2804.06   116.210   2822.26   163.980   2785.69   164.713   144.563 4.2349  143.610 4.2821  0.9528503      6.022509 
1 1 1 -4  -23 17 o 45.464  1.9481  278.709   23.565    256.294   32.884    302.370   33.786    43.569  2.8332  47.358  2.6744  -3.788845      3.896130 
1 1 1 -4  -23 18 o 67.847  1.9882  618.747   36.119    597.170   50.548    641.255   51.628    66.637  2.8321  69.057  2.7912  -2.420006      3.976345 
1 1 1 -4  -23 19 o 113.601 2.5309  1740.51   77.005    1713.22   108.484   1768.22   109.323   112.701 3.5938  114.502 3.5646  -1.801445      5.061769 
1 1 1 -4  -23 20 o 89.033  2.2340  1067.91   53.265    1039.82   75.045    1096.43   75.614    87.848  3.1894  90.218  3.1291  -2.369896      4.468034 
1 1 1 -4  -23 21 o 25.262  2.2829  87.408    15.092    89.202    21.443    85.648    21.245    25.526  3.2069  24.998  3.2498  0.5286922      4.565711 
1 1 1 -4  -23 22 o 60.737  1.9544  496.762   31.794    494.487   45.077    499.014   44.850    60.597  2.7773  60.877  2.7505  -0.2799492     3.908783 
1 1 1 -4  -23 23 o 68.662  1.9845  635.271   36.496    641.376   51.819    629.262   51.410    68.989  2.8043  68.334  2.8088  0.6552887      3.969042 
1 1 1 -4  -23 24 o 34.520  2.0038  161.769   18.312    177.441   26.216    146.837   25.590    36.181  2.7252  32.860  2.9385  3.321529       4.007687 
1 1 1 -4  -23 25 f 59.545  1.9741  478.226   31.476    490.536   45.124    466.560   43.928    60.291  2.7943  58.800  2.7892  1.491058       3.948116 
1 1 1 -4  -23 26 o 33.644  2.0517  154.325   18.274    148.697   26.300    159.578   25.409    33.026  3.0060  34.262  2.7930  -1.236012      4.103325 
1 1 1 -4  -23 27 o 43.017  1.9555  250.608   22.369    272.922   32.384    230.247   30.934    44.863  2.7077  41.170  2.8222  3.693020       3.911065 
1 1 1 -4  -23 28 o 37.754  2.0181  193.237   20.211    210.325   29.668    178.439   27.608    39.317  2.8362  36.191  2.8717  3.126518       4.036150 
1 1 1 -4  -23 29 o 80.277  2.1872  875.441   47.018    870.619   67.130    880.085   65.874    80.046  3.1310  80.508  3.0549  -0.4618378     4.374411 
1 1 1 -4  -23 30 o 36.421  2.1284  181.276   20.556    184.758   29.881    178.148   28.322    36.742  3.0643  36.101  2.9549  0.6401978      4.256894 
1 1 1 -4  -23 31 o 28.272  2.4321  111.131   17.962    105.129   26.028    116.590   24.820    27.479  3.6249  29.065  3.2435  -1.586494      4.864146 
1 1 1 -4  -23 32 o 10.508  2.9130  3.6432    13.237    -13.0274  18.442    21.356    19.010    8.0729  3.7129  12.942  4.4897  -4.869461      5.826081 
1 1 1 -4  -23 33 o 41.181  2.1775  232.952   23.710    265.057   34.140    203.039   32.954    43.990  2.9140  38.373  3.2365  5.617233       4.354998 
1 1 1 -4  -23 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -23 35 o 45.719  2.2913  289.626   27.858    278.365   39.420    300.862   39.375    44.795  3.3089  46.644  3.1704  -1.848507      4.582648 
1 1 1 -4  -23 36 o 22.738  3.1062  76.392    18.145    51.470    25.227    103.107   26.119    18.544  4.9756  26.932  3.7200  -8.387743      6.212481 
1 1 1 -4  -23 37 o 6.9106  2.3491  -28.8758  13.172    -14.0503  17.719    -47.1909  19.694    7.6809  3.5700  6.1403  3.0543  1.540674       4.698241 
1 1 1 -4  -23 38 o 39.319  2.4797  218.892   25.763    241.988   37.375    197.981   35.563    41.367  3.4034  37.272  3.6074  4.095478       4.959468 
1 1 1 -4  -23 39 o 38.904  2.5277  217.525   25.970    205.288   37.220    229.136   36.254    37.713  3.7337  40.095  3.4082  -2.382103      5.055327 
1 1 1 -4  -23 40 o 7.9159  2.5863  -23.3385  14.462    2.1838    19.064    -57.9318  22.195    9.5901  4.1213  6.2417  3.1257  3.348357       5.172541 
1 1 1 -4  -23 41 o 34.250  2.8206  175.121   25.214    197.304   36.083    153.954   35.246    36.602  3.7328  31.899  4.2296  4.702654       5.641185 
1 1 1 -4  -23 42 o 10.736  3.2748  4.7054    17.235    9.1612    24.092    0.0346    24.667    11.175  4.7107  10.298  4.5503  0.8774242      6.549562 
1 1 1 -4  -23 43 o 13.700  3.7045  27.443    18.957    26.574    26.397    28.368    27.243    13.551  5.1937  13.849  5.2838  -0.2980986     7.409017 
1 1 1 -4  -23 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -23 45 o 11.024  3.4249  3.6562    19.733    -7.5233   26.940    16.598    28.986    9.7850  4.4956  12.263  5.1681  -2.478222      6.849832 
1 1 1 -4  -23 46 o 19.116  3.6706  66.184    23.283    18.761    32.853    114.040   33.003    12.535  5.3988  25.697  4.9747  -13.16182      7.341263 
1 1 1 -4  -23 47 o 9.9551  3.2365  -4.4800   20.436    9.6441    27.203    -22.7766  30.962    10.843  4.7856  9.0672  4.3588  1.775766       6.473093 
1 1 1 -4  -22 1  o 26.891  2.0212  98.977    14.187    85.274    20.227    112.245   19.904    24.992  3.0872  28.789  2.6096  -3.796299      4.042374 
1 1 1 -4  -22 2  o 88.640  2.2619  1056.70   53.699    1063.59   76.401    1049.96   75.490    88.924  3.2077  88.355  3.1898  0.5693054      4.523729 
1 1 1 -4  -22 3  o 29.272  3.0136  122.945   19.972    129.036   23.514    107.171   37.840    30.857  2.8782  27.687  5.2955  3.170265       6.027112 
1 1 1 -4  -22 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -22 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -22 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -22 7  o 52.622  1.9295  372.541   27.091    345.884   38.142    399.678   38.484    50.677  2.8212  54.568  2.6330  -3.891315      3.859027 
1 1 1 -4  -22 8  o 68.931  2.0291  637.989   37.455    620.886   52.798    655.315   53.142    67.999  2.8988  69.862  2.8399  -1.863617      4.058125 
1 1 1 -4  -22 9  o 100.637 2.3793  1361.20   64.131    1379.56   90.656    1342.81   90.735    101.319 3.3405  99.956  3.3890  1.363876       4.758652 
1 1 1 -4  -22 10 o 91.982  2.2297  1136.45   54.930    1115.34   77.359    1157.92   78.010    91.119  3.1697  92.845  3.1369  -1.726006      4.459485 
1 1 1 -4  -22 11 o 85.883  2.1909  991.589   50.349    1033.87   70.849    948.448   71.564    87.741  3.0147  84.025  3.1798  3.716011       4.381727 
1 1 1 -4  -22 12 o 48.872  1.9127  321.779   24.915    327.105   34.655    316.081   35.846    49.299  2.6340  48.445  2.7740  0.8535957      3.825346 
1 1 1 -4  -22 13 o 118.086 2.5723  1875.06   81.349    1836.51   114.493   1914.36   115.606   116.857 3.6579  119.314 3.6174  -2.456406      5.144514 
1 1 1 -4  -22 14 o 129.042 2.7521  2240.87   95.117    2201.08   133.977   2281.30   135.061   127.884 3.9113  130.200 3.8728  -2.315887      5.504288 
1 1 1 -4  -22 15 o 125.095 2.6976  2105.77   90.383    2075.50   127.165   2136.67   128.487   124.186 3.8230  126.005 3.8070  -1.819328      5.395268 
1 1 1 -4  -22 16 o 50.621  2.5069  354.129   31.348    324.635   54.428    368.770   38.348    48.907  4.1955  52.334  2.7453  -3.426804      5.013880 
1 1 1 -4  -22 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -22 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -22 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -22 20 o 157.462 3.2478  3352.29   136.980   3332.78   193.525   3371.88   193.912   157.000 4.6020  157.924 4.5843  -0.9240417     6.495701 
1 1 1 -4  -22 21 o 100.737 2.3785  1366.69   64.178    1375.86   90.785    1357.53   90.737    101.077 3.3533  100.398 3.3742  0.6789017      4.757086 
1 1 1 -4  -22 22 o 74.274  2.0534  742.180   40.845    757.894   57.974    726.691   57.556    75.057  2.8837  73.491  2.9239  1.565994       4.106742 
1 1 1 -4  -22 23 o 47.215  1.9172  300.906   24.136    298.684   34.477    303.040   33.799    47.039  2.7484  47.392  2.6736  -0.3529091     3.834300 
1 1 1 -4  -22 24 o 25.499  2.3211  89.208    15.464    87.206    22.260    91.075    21.500    25.200  3.3833  25.799  3.1786  -0.5985813     4.642189 
1 1 1 -4  -22 25 o 85.285  2.2332  981.857   50.997    965.476   72.641    997.778   71.611    84.574  3.2067  85.997  3.1089  -1.423363      4.466344 
1 1 1 -4  -22 26 o 79.943  2.1566  863.378   46.149    841.582   65.886    884.370   64.660    78.937  3.1162  80.948  2.9822  -2.010490      4.313252 
1 1 1 -4  -22 27 o 76.381  2.1470  788.893   43.897    774.724   62.846    802.390   61.341    75.697  3.0996  77.066  2.9717  -1.369255      4.294021 
1 1 1 -4  -22 28 o 43.649  2.0259  259.464   23.454    246.640   34.209    270.839   32.219    42.592  3.0182  44.706  2.7033  -2.114342      4.051852 
1 1 1 -4  -22 29 o 24.354  2.5489  83.353    15.786    64.344    22.251    102.621   22.401    21.366  4.0360  27.342  3.1143  -5.976763      5.097862 
1 1 1 -4  -22 30 o 33.565  2.1599  154.252   19.171    151.271   27.764    156.969   26.504    33.229  3.1574  33.902  2.9481  -0.6731262     4.319791 
1 1 1 -4  -22 31 o 64.773  2.0929  570.039   36.287    556.106   51.815    583.450   50.835    63.977  3.0237  65.570  2.8945  -1.593254      4.185804 
1 1 1 -4  -22 32 o 70.183  2.1524  671.057   40.412    640.919   57.578    700.317   56.734    68.594  3.1339  71.771  2.9513  -3.176437      4.304770 
1 1 1 -4  -22 33 o 31.605  2.3996  138.193   19.987    138.432   28.654    137.967   27.895    31.618  3.4389  31.591  3.3476  0.2680016E-01  4.799211 
1 1 1 -4  -22 34 o 49.633  2.1815  338.050   28.846    329.926   40.996    346.016   40.595    49.020  3.1389  50.246  3.0305  -1.226864      4.363089 
1 1 1 -4  -22 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -22 36 o 12.592  3.2397  16.779    14.969    3.5796    20.917    30.633    21.430    10.434  4.3933  14.751  4.7625  -4.317952      6.479407 
1 1 1 -4  -22 37 o 12.718  3.1433  16.246    15.277    37.493    21.020    -7.5402   22.241    15.969  4.6389  9.4660  4.2428  6.503225       6.286602 
1 1 1 -4  -22 38 o 38.019  2.5434  204.711   25.573    197.693   36.280    211.641   36.053    37.321  3.6771  38.717  3.5149  -1.396408      5.086846 
1 1 1 -4  -22 39 o 26.431  3.1004  103.532   21.170    100.101   30.008    106.932   29.871    25.932  4.4824  26.931  4.2846  -0.9988880     6.200810 
1 1 1 -4  -22 40 o 33.024  2.7492  159.255   23.793    168.965   33.529    149.407   33.768    34.157  3.7253  31.891  4.0440  2.265406       5.498331 
1 1 1 -4  -22 41 o 34.966  2.8097  181.117   25.681    201.656   36.495    160.972   36.143    37.150  3.7175  32.781  4.2140  4.369717       5.619426 
1 1 1 -4  -22 42 o 31.053  3.0501  147.321   24.628    153.853   34.454    140.497   35.217    31.921  4.1263  30.185  4.4928  1.735420       6.100144 
1 1 1 -4  -22 43 o 12.604  3.4745  16.308    18.457    36.491    25.789    -4.8868   26.426    15.073  5.2293  10.134  4.5763  4.939057       6.948951 
1 1 1 -4  -22 44 o 16.164  3.9639  44.245    21.070    37.655    29.365    51.238    30.251    15.172  5.5453  17.156  5.6657  -1.983734      7.927838 
1 1 1 -4  -22 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -22 46 o 21.382  3.8183  83.050    23.833    44.849    33.156    123.890   34.282    15.632  5.8594  27.132  4.8975  -11.50069      7.636644 
1 1 1 -4  -22 47 o 10.199  3.2486  -0.0852   18.865    -10.3444  25.914    11.483    27.517    9.1703  4.2806  11.227  4.8878  -2.056967      6.497256 
1 1 1 -4  -21 1  f 151.695 6.2940  3121.64   255.734   0.0000    0.0000    3121.64   255.734   ?       ?       151.695 6.2940  ?              ?        
1 1 1 -4  -21 2  o 119.241 2.6666  1912.61   85.155    1890.47   120.884   1934.42   119.977   118.551 3.8069  119.931 3.7349  -1.380013      5.333124 
1 1 1 -4  -21 3  o 54.564  1.9304  400.119   28.160    393.157   39.870    407.048   39.778    54.053  2.7630  55.074  2.6966  -1.020847      3.860809 
1 1 1 -4  -21 4  o 197.988 3.9420  5292.93   209.035   5366.31   296.435   5220.36   294.811   199.360 5.5514  196.617 5.5980  2.743134       7.883901 
1 1 1 -4  -21 5  o 178.658 3.5513  4301.81   169.929   4366.85   241.061   4237.58   239.579   180.005 4.9998  177.311 5.0446  2.694519       7.102507 
1 1 1 -4  -21 6  o 68.107  1.9908  622.411   36.316    629.508   51.473    615.378   51.245    68.494  2.8057  67.720  2.8252  0.7739639      3.981624 
1 1 1 -4  -21 7  f 125.196 2.7032  2106.66   90.614    2180.00   128.512   2034.15   127.786   127.370 3.7669  123.023 3.8780  4.346764       5.406343 
1 1 1 -4  -21 8  o 163.136 3.2933  3582.89   143.843   3711.76   203.834   3455.06   203.017   166.072 4.5824  160.201 4.7313  5.871399       6.586599 
1 1 1 -4  -21 9  o 30.716  2.0770  127.920   16.853    134.240   23.684    121.438   23.985    31.504  2.8372  29.928  3.0341  1.575745       4.153920 
1 1 1 -4  -21 10 o 25.833  2.3131  90.980    15.611    83.766    21.791    98.587    22.375    24.750  3.3751  26.917  3.1638  -2.166864      4.626144 
1 1 1 -4  -21 11 f 119.714 2.6095  1925.59   83.664    1947.41   117.925   1903.49   118.717   120.400 3.6567  119.027 3.7237  1.372208       5.218954 
1 1 1 -4  -21 12 o 51.147  1.9182  351.983   26.167    353.242   36.384    350.634   37.661    51.247  2.6598  51.048  2.7647  0.1989784      3.836425 
1 1 1 -4  -21 13 o 213.850 4.1347  6175.25   236.813   6261.40   334.575   6088.76   335.233   215.359 5.8002  212.341 5.8942  3.017426       8.269433 
1 1 1 -4  -21 14 o 123.504 2.6766  2050.06   88.489    1958.32   124.512   2143.68   125.782   120.704 3.8512  126.303 3.7181  -5.599007      5.353119 
1 1 1 -4  -21 15 o 61.805  1.9482  512.757   32.233    519.020   44.985    506.149   46.207    62.196  2.7004  61.415  2.8090  0.7806816      3.896437 
1 1 1 -4  -21 16 o 30.670  2.1276  128.992   16.983    149.572   23.682    107.203   24.368    33.280  2.6794  28.060  3.3057  5.220617       4.255283 
1 1 1 -4  -21 17 o 265.759 5.0805  9595.30   361.636   9679.87   511.160   9510.55   511.700   266.950 7.1489  264.567 7.2209  2.382721       10.16110 
1 1 1 -4  -21 18 o 56.127  1.8846  422.975   28.320    433.599   39.820    412.102   40.284    56.843  2.6154  55.411  2.7142  1.431328       3.769287 
1 1 1 -4  -21 19 o 66.331  1.9506  590.740   34.639    568.011   48.825    613.773   49.151    65.043  2.8025  67.618  2.7138  -2.574661      3.901136 
1 1 1 -4  -21 20 o 130.312 2.7986  2286.69   97.681    2303.03   138.134   2270.35   138.148   130.780 3.9434  129.844 3.9722  0.9364166      5.597246 
1 1 1 -4  -21 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -21 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -21 23 o 67.969  2.0072  621.209   36.530    613.676   52.124    628.480   51.209    67.560  2.8804  68.378  2.7960  -0.8177261     4.014312 
1 1 1 -4  -21 24 o 56.531  1.9632  430.766   29.635    417.314   42.536    443.453   41.311    55.628  2.8646  57.434  2.6854  -1.805763      3.926444 
1 1 1 -4  -21 25 o 38.390  2.0341  200.237   20.673    186.613   29.899    212.718   28.617    37.104  3.0350  39.675  2.7090  -2.571396      4.068198 
1 1 1 -4  -21 26 f 72.960  2.0616  716.624   40.275    737.382   57.813    697.051   56.140    73.985  2.9174  71.934  2.9137  2.051239       4.123194 
1 1 1 -4  -21 27 o 127.249 2.8122  2195.83   95.841    2196.98   136.370   2194.71   134.725   127.273 4.0003  127.226 3.9535  0.4708862E-01  5.624305 
1 1 1 -4  -21 28 o 59.923  2.0071  484.563   32.192    482.012   46.342    486.942   44.752    59.762  2.8951  60.084  2.7807  -0.3227806     4.014205 
1 1 1 -4  -21 29 o 44.801  2.0188  271.890   24.076    288.557   34.660    256.348   33.469    46.138  2.8181  43.463  2.8915  2.675098       4.037635 
1 1 1 -4  -21 30 o 44.826  2.0361  273.072   24.291    269.603   35.045    276.279   33.699    44.534  2.9547  45.118  2.8024  -0.5835114     4.072298 
1 1 1 -4  -21 31 o 67.099  2.1007  610.883   37.721    596.103   54.087    624.880   52.633    66.287  3.0463  67.911  2.8935  -1.623657      4.201477 
1 1 1 -4  -21 32 o 45.099  2.0946  277.036   25.065    310.040   36.100    246.318   34.827    47.733  2.8363  42.464  3.0831  5.269535       4.189270 
1 1 1 -4  -21 33 o 31.526  2.4513  137.691   20.284    126.349   28.766    148.908   28.607    30.170  3.6327  32.882  3.2923  -2.712210      4.902617 
1 1 1 -4  -21 34 o 38.637  2.2643  205.522   23.179    196.570   33.242    213.995   32.338    37.775  3.3191  39.499  3.0809  -1.724262      4.528648 
1 1 1 -4  -21 35 o 65.328  2.2309  584.138   39.016    577.862   55.868    590.113   54.512    64.960  3.2109  65.695  3.0979  -0.7349777     4.461704 
1 1 1 -4  -21 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -21 37 o 19.430  3.3338  56.013    17.634    37.592    24.840    74.730    25.038    16.151  5.1184  22.710  4.2731  -6.559208      6.667644 
1 1 1 -4  -21 38 o 48.577  2.3255  329.191   29.883    375.437   42.807    285.228   41.737    52.035  3.0851  45.118  3.4805  6.916302       4.650999 
1 1 1 -4  -21 39 o 33.144  2.6992  157.416   23.418    173.003   33.287    142.143   32.951    34.895  3.6138  31.392  4.0104  3.502880       5.398400 
1 1 1 -4  -21 40 o 20.101  3.5083  62.020    19.738    35.829    27.318    90.631    28.552    15.605  5.3839  24.596  4.4997  -8.991184      7.016648 
1 1 1 -4  -21 41 o 30.961  2.9566  142.560   23.792    154.384   33.570    130.627   33.723    32.429  3.9461  29.493  4.4039  2.936199       5.913164 
1 1 1 -4  -21 42 o 17.072  3.8326  47.448    19.751    50.939    27.350    43.643    28.553    17.680  5.3319  16.465  5.5070  1.215393       7.665278 
1 1 1 -4  -21 43 o 22.870  3.6370  87.190    22.417    119.720   31.728    54.764    31.678    27.842  4.4008  17.898  5.7916  9.944855       7.273907 
1 1 1 -4  -21 44 o 29.819  3.1558  138.950   24.421    135.410   33.958    142.741   35.144    29.438  4.4452  30.200  4.4806  -0.7623386     6.311510 
1 1 1 -4  -21 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -21 46 o 23.611  3.7618  97.621    23.382    79.955    33.450    114.501   32.698    20.905  5.7802  26.318  4.8160  -5.413227      7.523571 
1 1 1 -4  -21 47 o 11.492  3.4434  13.031    18.978    23.399    25.048    -0.9420   29.078    12.525  4.9829  10.459  4.7540  2.065504       6.886889 
1 1 1 -4  -21 48 o 12.508  3.5605  17.772    21.514    49.457    29.052    -20.7035  32.014    15.686  5.5427  9.3287  4.4707  6.357742       7.121038 
1 1 1 -4  -20 1  o 129.120 2.8018  2241.31   96.889    2218.49   137.588   2263.77   136.462   128.463 3.9986  129.776 3.9258  -1.313034      5.603655 
1 1 1 -4  -20 2  o 54.752  1.9071  402.865   27.894    383.832   39.439    421.914   39.456    53.418  2.7659  56.085  2.6265  -2.666756      3.814283 
1 1 1 -4  -20 3  o 144.529 3.0587  2808.56   118.407   2826.04   168.064   2791.34   166.848   144.975 4.3281  144.083 4.3233  0.8920135      6.117441 
1 1 1 -4  -20 4  o 117.036 2.5796  1839.34   80.836    1907.22   114.923   1772.88   113.724   119.177 3.6002  114.895 3.6954  4.282097       5.159212 
1 1 1 -4  -20 5  o 130.557 2.8386  2290.08   99.263    2304.04   140.853   2276.30   139.911   130.952 4.0157  130.162 4.0131  0.7903290      5.677214 
1 1 1 -4  -20 6  o 125.677 2.7069  2121.35   91.120    2133.85   129.242   2108.99   128.488   126.045 3.8281  125.309 3.8282  0.7363739      5.413846 
1 1 1 -4  -20 7  o 51.730  1.8856  359.682   26.031    348.321   36.434    371.527   37.204    50.893  2.6823  52.568  2.6508  -1.675022      3.771129 
1 1 1 -4  -20 8  o 120.781 2.6460  1958.99   85.600    1958.98   121.028   1959.00   121.087   120.780 3.7411  120.781 3.7429  -0.6790161E-03 5.291995 
1 1 1 -4  -20 9  o 72.094  2.0372  697.354   39.330    706.542   55.274    687.931   55.975    72.577  2.8434  71.612  2.9182  0.9652023      4.074410 
1 1 1 -4  -20 10 o 58.374  1.9233  457.260   30.047    464.139   41.835    449.932   43.181    58.830  2.6550  57.918  2.7835  0.9113045      3.846637 
1 1 1 -4  -20 11 o 89.998  2.2009  1086.41   53.041    1053.93   74.293    1120.17   75.750    88.626  3.1297  91.370  3.0952  -2.744331      4.401733 
1 1 1 -4  -20 12 o 45.569  1.8869  279.788   22.896    287.855   31.842    271.153   32.945    46.259  2.5802  44.878  2.7541  1.380707       3.773879 
1 1 1 -4  -20 13 o 74.524  2.0158  744.564   40.213    709.299   56.188    781.594   57.577    72.714  2.8849  76.333  2.8161  -3.618820      4.031542 
1 1 1 -4  -20 14 o 74.913  2.0199  752.784   40.521    749.697   56.673    756.012   57.959    74.757  2.8303  75.069  2.8825  -0.3119202     4.039721 
1 1 1 -4  -20 15 o 97.489  2.2791  1276.09   59.490    1307.07   83.764    1244.56   84.503    98.686  3.1689  96.291  3.2764  2.395554       4.558176 
1 1 1 -4  -20 16 f 80.600  2.0615  871.835   44.494    884.000   62.555    859.380   63.300    81.171  2.8772  80.029  2.9530  1.142189       4.122919 
1 1 1 -4  -20 17 f 126.697 2.7316  2157.39   92.686    2190.67   130.776   2123.79   131.381   127.684 3.8239  125.711 3.9019  1.972649       5.463202 
1 1 1 -4  -20 18 o 129.173 2.7401  2242.89   94.791    2280.42   133.930   2205.21   134.181   130.260 3.8386  128.085 3.9111  2.174744       5.480139 
1 1 1 -4  -20 19 o 115.760 2.5247  1800.47   78.282    1803.57   110.702   1797.37   110.713   115.860 3.5672  115.660 3.5738  0.1998749      5.049466 
1 1 1 -4  -20 20 o 92.888  2.2316  1158.69   55.522    1164.09   78.525    1153.30   78.514    93.105  3.1488  92.671  3.1631  0.4336929      4.463210 
1 1 1 -4  -20 21 o 76.371  2.0845  783.089   42.612    820.863   60.664    746.298   59.870    78.192  2.8965  74.549  2.9983  3.642578       4.168907 
1 1 1 -4  -20 22 o 179.667 3.5924  4360.20   172.880   4369.52   244.913   4350.94   244.068   179.858 5.0839  179.477 5.0771  0.3808136      7.184863 
1 1 1 -4  -20 23 o 163.319 3.3193  3601.78   145.196   3584.02   205.918   3619.34   204.763   162.912 4.7190  163.727 4.6692  -0.8150482     6.638573 
1 1 1 -4  -20 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -20 25 o 89.429  2.2698  1075.95   54.359    1100.36   77.777    1052.63   76.004    90.421  3.2114  88.438  3.2085  1.982346       4.539578 
1 1 1 -4  -20 26 o 114.663 2.5933  1773.53   79.637    1794.79   113.669   1753.02   111.606   115.336 3.6795  113.991 3.6553  1.344444       5.186530 
1 1 1 -4  -20 27 o 121.352 2.7027  1990.59   87.840    1993.70   125.117   1987.57   123.351   121.438 3.8466  121.265 3.7977  0.1724167      5.405412 
1 1 1 -4  -20 28 o 68.905  2.0711  639.652   38.203    648.105   55.085    631.819   53.027    69.337  2.9661  68.472  2.8913  0.8656006      4.142130 
1 1 1 -4  -20 29 o 7.1906  2.3766  -16.1111  11.406    -12.0027  16.182    -20.1673  16.078    7.5709  3.4806  6.8103  3.2372  0.7605877      4.753291 
1 1 1 -4  -20 30 o 38.781  2.0901  204.466   21.498    203.095   31.400    205.676   29.495    38.638  3.0591  38.924  2.8488  -0.2860565     4.180216 
1 1 1 -4  -20 31 o 88.359  2.3274  1059.24   55.081    1064.09   78.266    1054.49   77.531    88.556  3.2997  88.162  3.2833  0.3945236      4.654853 
1 1 1 -4  -20 32 o 46.170  2.1135  290.673   25.946    279.392   37.343    301.202   36.077    45.272  3.0982  47.069  2.8754  -1.797512      4.226922 
1 1 1 -4  -20 33 o 52.952  2.1195  381.863   29.927    386.708   42.992    377.307   41.684    53.270  3.0256  52.634  2.9689  0.6366081      4.238916 
1 1 1 -4  -20 34 o 42.614  2.1780  248.684   24.661    243.014   35.502    253.971   34.282    42.115  3.1705  43.113  2.9872  -0.9978867     4.356062 
1 1 1 -4  -20 35 o 23.053  2.9190  75.489    17.339    82.925    24.924    68.515    24.137    24.221  3.9801  21.886  4.2709  2.335587       5.837986 
1 1 1 -4  -20 36 o 16.049  3.2319  35.902    16.053    57.088    22.359    13.361    23.063    19.880  4.3221  12.218  4.8063  7.662165       6.463883 
1 1 1 -4  -20 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -20 38 o 13.907  2.7698  15.510    15.648    58.975    21.507    -33.3797  22.810    20.148  4.1241  7.6653  3.6985  12.48306       5.539609 
1 1 1 -4  -20 39 o 33.663  2.5696  160.452   22.783    161.258   31.667    159.586   32.803    33.792  3.5518  33.535  3.7143  0.2570915      5.139239 
1 1 1 -4  -20 40 o 25.270  3.2741  95.849    21.224    78.328    29.889    113.667   30.142    22.637  5.0571  27.904  4.1600  -5.267267      6.548295 
1 1 1 -4  -20 41 o 31.212  2.8280  142.487   23.084    145.331   32.398    139.555   32.900    31.586  3.9132  30.837  4.0837  0.7489376      5.655901 
1 1 1 -4  -20 42 o 16.307  3.1366  35.796    17.434    -1.3656   24.128    76.398    25.220    10.220  4.5090  22.394  4.3614  -12.17399      6.273213 
1 1 1 -4  -20 43 o 33.057  2.9590  164.991   25.220    196.778   36.376    135.568   34.997    36.492  3.7762  29.623  4.5567  6.868290       5.918095 
1 1 1 -4  -20 44 o 26.137  3.4113  109.174   22.954    96.620    32.172    122.192   32.761    24.327  5.1004  27.948  4.5316  -3.620272      6.822693 
1 1 1 -4  -20 45 o 19.370  3.9545  65.428    21.678    67.511    30.271    63.236    31.058    19.755  5.5119  18.985  5.6721  0.7700424      7.909091 
1 1 1 -4  -20 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -20 47 o 13.153  3.6880  19.587    20.707    -2.9202   27.708    48.062    31.166    10.201  4.6380  16.105  5.7354  -5.904690      7.376045 
1 1 1 -4  -20 48 o 14.401  3.5765  33.725    15.416    49.231    30.573    28.439    17.851    15.801  5.6749  13.001  4.3543  2.799551       7.152938 
1 1 1 -4  -19 1  f 149.681 3.0900  3012.14   123.856   2951.35   175.733   3072.13   174.590   148.173 4.4279  151.189 4.3113  -3.016159      6.180082 
1 1 1 -4  -19 2  o 40.658  1.8670  222.601   20.221    222.556   28.748    222.645   28.447    40.652  2.6547  40.663  2.6259  -0.1067734E-01 3.734008 
1 1 1 -4  -19 3  o 127.566 2.7605  2185.27   94.319    2212.79   133.909   2158.17   132.872   128.364 3.8947  126.769 3.9132  1.595726       5.521058 
1 1 1 -4  -19 4  o 233.742 4.4825  7369.60   280.636   7402.70   397.525   7336.72   396.238   234.266 6.3353  233.218 6.3432  1.048477       8.965007 
1 1 1 -4  -19 5  o 203.365 4.0343  5570.83   219.744   5631.98   311.321   5510.12   310.213   204.482 5.6841  202.249 5.7264  2.233032       8.068562 
1 1 1 -4  -19 6  o 167.240 3.3872  3761.06   151.726   3753.29   214.818   3768.79   214.329   167.066 4.8006  167.414 4.7797  -0.3477020     6.774312 
1 1 1 -4  -19 7  f 113.083 2.5099  1716.97   75.979    1788.00   107.611   1646.35   107.291   115.421 3.4808  110.745 3.6170  4.675888       5.019838 
1 1 1 -4  -19 8  o 133.104 2.8215  2379.75   100.576   2428.25   142.180   2331.16   142.291   134.466 3.9476  131.742 4.0324  2.723724       5.643046 
1 1 1 -4  -19 9  o 104.183 2.4104  1456.93   67.250    1483.85   94.876    1429.76   95.338    105.153 3.3686  103.214 3.4486  1.939339       4.820767 
1 1 1 -4  -19 10 o 113.976 2.5041  1743.62   76.442    1733.48   107.617   1753.94   108.601   113.642 3.5355  114.310 3.5470  -0.6676254     5.008122 
1 1 1 -4  -19 11 o 68.044  1.9425  621.219   35.382    631.668   49.454    610.261   50.644    68.632  2.6902  67.455  2.8030  1.176842       3.885071 
1 1 1 -4  -19 12 o 141.296 2.9078  2681.97   110.046   2650.11   155.135   2714.24   156.125   140.450 4.1238  142.141 4.1008  -1.691757      5.815681 
1 1 1 -4  -19 13 o 118.618 2.5957  1888.95   82.468    1868.19   116.062   1910.11   117.200   117.960 3.6734  119.276 3.6685  -1.316475      5.191489 
1 1 1 -4  -19 14 o 213.298 4.0973  6131.85   234.088   6127.69   330.689   6136.04   331.412   213.227 5.7901  213.370 5.7989  -0.1432953     8.194691 
1 1 1 -4  -19 15 o 40.424  1.9325  220.562   20.533    178.189   28.452    266.618   29.663    36.327  2.9496  44.522  2.4975  -8.195297      3.864964 
1 1 1 -4  -19 16 o 286.697 5.4284  11135.84  416.851   11151.01  589.195   11120.63  589.837   286.897 7.6673  286.497 7.6864  0.3992615      10.85673 
1 1 1 -4  -19 17 o 132.497 2.7690  2358.52   98.249    2294.65   138.598   2423.03   139.294   130.689 3.9594  134.305 3.8721  -3.615479      5.538085 
1 1 1 -4  -19 18 o 37.327  1.9461  188.332   19.198    213.818   27.379    163.678   26.928    39.846  2.5791  34.807  2.9151  5.039158       3.892277 
1 1 1 -4  -19 19 o 66.225  1.9588  588.336   34.743    598.467   49.268    578.315   49.001    66.793  2.7539  65.657  2.7863  1.135468       3.917558 
1 1 1 -4  -19 20 o 113.097 2.5328  1718.22   76.721    1706.69   108.897   1729.58   108.107   112.718 3.6069  113.476 3.5568  -0.7579803     5.065612 
1 1 1 -4  -19 21 o 204.553 4.0397  5649.61   221.303   5554.42   313.331   5744.36   312.610   202.818 5.7678  206.289 5.6577  -3.470581      8.079385 
1 1 1 -4  -19 22 o 131.835 2.8125  2337.66   99.308    2332.05   141.118   2343.17   139.775   131.675 4.0012  131.995 3.9535  -0.3203125     5.624932 
1 1 1 -4  -19 23 o 105.147 2.4287  1485.55   68.394    1509.82   97.558    1462.09   95.909    105.991 3.4364  104.303 3.4330  1.688210       4.857423 
1 1 1 -4  -19 24 o 86.083  2.2140  994.996   51.029    1032.83   73.225    959.276   71.150    87.674  3.1182  84.492  3.1439  3.181793       4.428003 
1 1 1 -4  -19 25 o 88.233  4.2705  1050.02   100.925   0.0000    0.0000    1050.02   100.925   ?       ?       88.233  4.2705  ?              ?        
1 1 1 -4  -19 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -19 27 o 171.584 3.5130  3993.63   161.447   3994.34   229.113   3992.92   227.537   171.592 4.9850  171.577 4.9511  0.1574707E-01  7.025924 
1 1 1 -4  -19 28 o 150.393 3.1680  3066.51   127.606   3048.39   181.136   3084.35   179.794   149.940 4.5102  150.847 4.4499  -0.9064941     6.335917 
1 1 1 -4  -19 29 o 36.637  2.1186  181.899   20.595    189.914   29.721    174.495   28.565    37.419  2.9904  35.856  3.0019  1.562820       4.237239 
1 1 1 -4  -19 30 o 69.269  2.1086  647.201   39.102    677.449   55.942    618.306   54.677    70.857  2.9476  67.681  3.0161  3.175529       4.217247 
1 1 1 -4  -19 31 o 53.379  2.0996  386.904   29.844    365.523   42.613    407.484   41.808    51.901  3.0791  54.857  2.8553  -2.956406      4.199241 
1 1 1 -4  -19 32 o 23.427  2.6779  76.443    16.165    86.916    23.400    66.882    22.358    25.037  3.5924  21.817  3.9724  3.219627       5.355839 
1 1 1 -4  -19 33 o 37.498  2.2026  192.139   21.724    225.513   31.384    161.437   30.101    40.695  2.8981  34.301  3.3177  6.393974       4.405294 
1 1 1 -4  -19 34 o 34.810  2.2891  166.331   21.083    167.193   30.440    165.536   29.227    34.882  3.2971  34.739  3.1763  0.1432953      4.578196 
1 1 1 -4  -19 35 o 11.063  3.0411  7.9225    13.694    -4.4332   19.069    21.081    19.678    9.1324  4.0198  12.994  4.5646  -3.861341      6.082264 
1 1 1 -4  -19 36 o 52.665  2.2202  380.160   31.175    381.833   44.197    378.504   43.982    52.780  3.1405  52.550  3.1391  0.2308311      4.440304 
1 1 1 -4  -19 37 o 78.324  2.3668  844.031   49.577    892.997   69.919    794.518   70.308    80.676  3.2357  75.971  3.4552  4.705505       4.733680 
1 1 1 -4  -19 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -19 39 o 45.623  2.3699  290.450   28.725    302.591   40.377    278.008   40.874    46.646  3.2520  44.600  3.4483  2.046074       4.739887 
1 1 1 -4  -19 40 o 29.734  2.8549  127.830   22.043    139.546   31.101    116.002   31.248    31.246  3.7939  28.221  4.2671  3.024837       5.709773 
1 1 1 -4  -19 41 o 10.178  3.0069  -5.9410   15.709    20.763    22.218    -32.6376  22.215    12.876  4.8023  7.4811  3.6197  5.394463       6.013699 
1 1 1 -4  -19 42 o 10.748  3.2366  3.7988    16.479    -2.7509   22.642    11.176    24.029    9.8351  4.3521  11.660  4.7919  -1.824841      6.473202 
1 1 1 -4  -19 43 o 12.584  3.3725  12.169    17.779    -13.1096  24.475    40.413    25.870    9.2059  4.2496  15.962  5.2379  -6.755864      6.745026 
1 1 1 -4  -19 44 o 8.2059  2.7794  -30.7455  16.964    -44.3043  22.063    -11.1368  26.532    6.7226  3.3245  9.6891  4.4552  -2.966518      5.558894 
1 1 1 -4  -19 45 o 11.994  3.4376  12.188    18.481    30.233    25.575    -7.5320   26.735    14.049  5.1690  9.9383  4.5331  4.111142       6.875114 
1 1 1 -4  -19 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -19 47 o 11.343  3.2602  9.3856    13.986    32.204    27.629    1.5237    16.218    14.062  5.3316  8.6242  3.7535  5.437820       6.520361 
1 1 1 -4  -19 48 o 12.591  3.3950  25.333    15.676    17.975    28.696    28.463    18.715    12.092  5.1216  13.090  4.4581  -0.9981709     6.790079 
1 1 1 -4  -18 1  o 126.396 2.7497  2145.21   93.088    2138.74   132.184   2151.57   131.114   126.205 3.9103  126.587 3.8670  -0.3817444     5.499482 
1 1 1 -4  -18 2  o 76.304  2.0569  780.769   42.035    794.489   59.808    767.376   59.092    76.966  2.9011  75.641  2.9166  1.325249       4.113780 
1 1 1 -4  -18 3  o 268.731 5.1249  9758.31   368.885   9745.94   522.338   9770.61   521.029   268.556 7.2615  268.905 7.2339  -0.3487549     10.24984 
1 1 1 -4  -18 4  o 99.975  2.3509  1341.08   62.940    1378.45   89.329    1304.23   88.696    101.360 3.2903  98.590  3.3588  2.770439       4.701864 
1 1 1 -4  -18 5  o 142.147 2.9625  2714.00   112.791   2732.03   159.867   2696.13   159.156   142.617 4.1850  141.676 4.1941  0.9412537      5.924931 
1 1 1 -4  -18 6  o 64.166  1.8987  552.150   32.626    539.805   46.146    564.489   46.134    63.448  2.7154  64.884  2.6545  -1.436275      3.797351 
1 1 1 -4  -18 7  o 139.066 2.9028  2597.56   108.115   2643.54   152.924   2551.61   152.870   140.300 4.0694  137.833 4.1408  2.467865       5.805686 
1 1 1 -4  -18 8  o 200.839 3.9113  5429.87   210.404   5436.44   297.515   5423.30   297.597   200.961 5.5272  200.717 5.5355  0.2444916      7.822527 
1 1 1 -4  -18 9  o 54.777  1.8085  402.416   26.521    407.100   37.053    397.496   37.977    55.105  2.5104  54.449  2.6040  0.6561012      3.617057 
1 1 1 -4  -18 10 o 106.793 2.3861  1530.15   68.244    1498.13   95.976    1562.90   97.057    105.662 3.3912  107.924 3.3575  -2.261856      4.772126 
1 1 1 -4  -18 11 o 153.855 3.1191  3180.87   128.508   3091.27   181.186   3271.57   182.294   151.669 4.4600  156.041 4.3616  -4.372192      6.238233 
1 1 1 -4  -18 12 o 244.847 4.6527  8089.46   305.128   8021.72   431.102   8157.46   431.931   243.814 6.6013  245.880 6.5585  -2.066162      9.305446 
1 1 1 -4  -18 13 o 68.028  1.8872  620.283   34.370    592.723   48.098    649.041   49.132    66.484  2.7010  69.573  2.6365  -3.088966      3.774459 
1 1 1 -4  -18 14 o 57.244  1.8002  439.878   27.569    460.451   38.746    418.783   39.236    58.603  2.4684  55.885  2.6212  2.718430       3.600471 
1 1 1 -4  -18 15 o 245.016 4.6588  8104.37   305.736   8175.36   432.120   8033.21   432.631   246.100 6.5555  243.931 6.6216  2.168243       9.317698 
1 1 1 -4  -18 16 o 199.308 3.8700  5349.95   206.598   5339.94   291.901   5360.00   292.447   199.121 5.4731  199.495 5.4730  -0.3738251     7.740035 
1 1 1 -4  -18 17 o 174.703 3.4594  4106.49   161.866   4046.11   228.779   4167.00   229.047   173.412 4.9255  175.994 4.8589  -2.582535      6.918756 
1 1 1 -4  -18 18 o 114.965 2.5404  1774.58   78.223    1799.87   110.768   1749.44   110.480   115.784 3.5717  114.147 3.6135  1.637001       5.080842 
1 1 1 -4  -18 19 o 150.629 3.0476  3050.09   122.937   3124.89   174.281   2976.02   173.441   152.473 4.2674  148.786 4.3521  3.686966       6.095255 
1 1 1 -4  -18 20 o 102.098 2.3806  1399.15   65.096    1413.66   92.732    1385.05   91.403    102.619 3.3738  101.576 3.3595  1.042778       4.761152 
1 1 1 -4  -18 21 o 47.826  1.9098  307.886   24.347    305.326   35.048    310.274   33.847    47.629  2.7591  48.024  2.6414  -0.3954010     3.819668 
1 1 1 -4  -18 22 o 189.765 3.7553  4854.24   190.863   4939.26   270.853   4770.38   269.000   191.422 5.2826  188.109 5.3389  3.313843       7.510696 
1 1 1 -4  -18 23 o 170.327 3.4819  3909.82   158.826   3850.39   225.452   3968.36   223.785   169.031 4.9797  171.624 4.8681  -2.593658      6.963895 
1 1 1 -4  -18 24 f 102.843 2.4107  1420.65   66.395    1443.84   94.993    1398.50   92.837    103.662 3.4212  102.024 3.3973  1.638031       4.821438 
1 1 1 -4  -18 25 o 41.799  2.0539  235.626   22.847    241.039   32.766    230.504   31.873    42.268  2.9119  41.331  2.8974  0.9367599      4.107839 
1 1 1 -4  -18 26 o 19.100  3.1040  51.376    15.551    46.944    22.606    55.356    21.426    18.298  4.6136  19.901  4.1537  -1.603550      6.207932 
1 1 1 -4  -18 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -18 28 f 101.114 2.4556  1377.42   66.446    1457.19   94.778    1300.31   93.180    104.005 3.4023  98.223  3.5418  5.781792       4.911168 
1 1 1 -4  -18 29 o 101.871 2.4552  1400.13   66.983    1388.66   95.325    1411.31   94.142    101.451 3.5080  102.291 3.4360  -0.8396530     4.910455 
1 1 1 -4  -18 30 o 42.471  2.0981  243.896   23.675    264.571   34.163    224.794   32.838    44.219  2.9005  40.723  3.0323  3.495277       4.196163 
1 1 1 -4  -18 31 o 64.620  2.1247  563.612   36.769    566.721   52.497    560.618   51.516    64.791  3.0250  64.448  2.9843  0.3429565      4.249330 
1 1 1 -4  -18 32 o 66.184  2.1486  592.236   38.073    615.615   54.258    569.558   53.438    67.478  3.0020  64.890  3.0746  2.588257       4.297101 
1 1 1 -4  -18 33 o 139.389 3.0854  2664.58   115.164   2593.26   162.617   2736.33   163.116   137.477 4.4162  141.299 4.3099  -3.821960      6.170728 
1 1 1 -4  -18 34 o 28.199  2.5331  110.122   18.697    107.656   26.337    112.627   26.548    27.868  3.6134  28.530  3.5509  -0.6617126     5.066123 
1 1 1 -4  -18 35 o 32.857  2.3832  148.785   20.673    150.801   29.153    146.745   29.320    33.093  3.3344  32.621  3.4058  0.4716263      4.766353 
1 1 1 -4  -18 36 o 29.554  2.5347  121.412   19.652    119.165   27.773    123.665   27.810    29.266  3.6202  29.842  3.5488  -0.5757046     5.069477 
1 1 1 -4  -18 37 o 32.173  2.5079  143.681   21.231    138.521   29.229    149.445   30.891    31.566  3.5168  32.781  3.5763  -1.214752      5.015761 
1 1 1 -4  -18 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -18 39 o 23.114  3.2548  79.189    19.358    89.477    26.504    67.427    28.341    24.959  4.1076  21.269  5.0502  3.690107       6.509695 
1 1 1 -4  -18 40 o 16.413  3.4499  39.190    17.309    56.512    24.194    21.028    24.774    19.450  4.6971  13.377  5.0542  6.073467       6.899827 
1 1 1 -4  -18 41 o 18.470  3.6419  52.140    18.762    45.595    25.962    59.294    27.144    17.296  5.1902  19.643  5.1103  -2.347679      7.283756 
1 1 1 -4  -18 42 o 25.760  3.2129  99.221    21.261    84.110    28.934    116.958   31.347    23.459  4.7673  28.060  4.3086  -4.600677      6.425778 
1 1 1 -4  -18 43 f 32.133  2.9098  153.847   24.409    157.566   33.766    149.776   35.326    32.677  3.9372  31.590  4.2857  1.086767       5.819668 
1 1 1 -4  -18 44 o 39.910  2.8303  237.897   29.784    237.120   40.881    238.776   43.482    39.975  3.8663  39.844  4.1346  0.1314507      5.660670 
1 1 1 -4  -18 45 o 11.370  3.3264  5.0665    18.995    27.624    24.032    -32.4824  31.006    13.627  5.0111  9.1125  4.3757  4.514811       6.652714 
1 1 1 -4  -18 46 o 11.429  3.1482  16.536    13.457    11.255    24.346    18.858    16.147    11.347  4.7567  11.511  4.1253  -0.1642990     6.296364 
1 1 1 -4  -18 47 o 18.049  3.3658  61.432    18.283    24.960    32.356    78.538    22.159    13.514  5.5578  22.584  3.7981  -9.070026      6.731636 
1 1 1 -4  -18 48 o 12.656  3.4306  24.815    15.742    19.287    29.669    26.981    18.572    12.420  5.2311  12.893  4.4396  -0.4727821     6.861144 
1 1 1 -4  -18 49 o 14.684  3.6080  38.568    16.350    46.158    30.254    35.437    19.433    15.192  5.6163  14.175  4.5309  1.016689       7.216051 
1 1 1 -4  -17 1  o 107.934 2.4784  1563.17   71.640    1599.86   101.832   1527.21   100.803   109.190 3.4819  106.679 3.5278  2.510536       4.956710 
1 1 1 -4  -17 2  o 163.000 3.2687  3570.39   142.681   3662.91   202.510   3479.20   201.061   165.102 4.5794  160.898 4.6654  4.203796       6.537306 
1 1 1 -4  -17 3  o 97.580  2.2995  1277.25   60.094    1306.86   85.367    1248.16   84.609    98.702  3.2290  96.458  3.2748  2.244598       4.599026 
1 1 1 -4  -17 4  f 36.011  1.7640  174.702   16.906    171.193   23.956    178.184   23.861    35.646  2.5255  36.375  2.4635  -0.7291603     3.528025 
1 1 1 -4  -17 5  o 181.011 3.5871  4405.61   173.892   4495.34   246.270   4316.39   245.574   182.855 5.0282  179.166 5.1172  3.688965       7.174204 
1 1 1 -4  -17 6  o 214.951 4.1462  6220.90   238.673   6361.47   337.805   6080.77   337.264   217.388 5.8015  212.514 5.9251  4.873566       8.292405 
1 1 1 -4  -17 7  o 182.487 3.6052  4477.49   176.220   4480.26   249.173   4474.72   249.251   182.544 5.0962  182.430 5.1009  0.1135101      7.210473 
1 1 1 -4  -17 8  o 96.667  2.2241  1253.93   57.554    1298.88   81.216    1208.59   81.571    98.411  3.0811  94.923  3.2083  3.487709       4.448214 
1 1 1 -4  -17 9  o 104.180 2.3389  1455.94   65.264    1449.61   91.991    1462.37   92.608    103.952 3.3039  104.409 3.3115  -0.4561691     4.677761 
1 1 1 -4  -17 10 o 218.408 4.1935  6422.99   245.317   6380.27   346.530   6465.91   347.334   217.677 5.9435  219.138 5.9175  -1.461288      8.386997 
1 1 1 -4  -17 11 f 101.132 2.2844  1371.88   61.879    1355.41   87.121    1388.65   87.903    100.520 3.2358  101.745 3.2255  -1.225578      4.568869 
1 1 1 -4  -17 12 o 214.498 4.0817  6194.38   234.505   6157.56   331.255   6231.38   332.027   213.857 5.7830  215.139 5.7619  -1.282227      8.163453 
1 1 1 -4  -17 13 o 152.321 3.0646  3116.79   125.016   3052.97   176.412   3181.18   177.190   150.751 4.3690  153.891 4.2987  -3.140427      6.129181 
1 1 1 -4  -17 14 o 181.190 3.5267  4414.95   171.146   4360.85   241.708   4469.33   242.369   180.073 5.0113  182.306 4.9635  -2.233231      7.053337 
1 1 1 -4  -17 15 o 128.252 2.6936  2208.47   92.526    2227.51   130.624   2189.28   131.081   128.809 3.7861  127.695 3.8324  1.113861       5.387199 
1 1 1 -4  -17 16 f 124.377 2.6697  2076.99   88.938    2076.69   125.687   2077.29   125.867   124.368 3.7730  124.386 3.7779  -0.1771545E-01 5.339317 
1 1 1 -4  -17 17 o 17.122  2.5439  41.546    11.347    29.077    16.199    53.558    15.900    14.503  4.0270  19.742  3.1097  -5.239078      5.087887 
1 1 1 -4  -17 18 o 102.627 2.3486  1413.51   64.557    1408.02   91.639    1418.93   90.960    102.428 3.3402  102.827 3.3026  -0.3985214     4.697245 
1 1 1 -4  -17 19 o 118.318 2.5605  1879.36   81.138    1916.25   115.363   1843.25   114.141   119.468 3.6052  117.167 3.6370  2.300308       5.121051 
1 1 1 -4  -17 20 o 66.307  1.9440  589.939   34.506    581.551   49.422    597.917   48.198    65.845  2.8023  66.769  2.6950  -0.9239426     3.887901 
1 1 1 -4  -17 21 o 203.460 3.9852  5579.72   217.173   5642.38   308.056   5517.81   306.210   204.599 5.6213  202.321 5.6505  2.277786       7.970435 
1 1 1 -4  -17 22 o 53.396  1.9490  384.398   27.704    361.461   40.162    405.219   38.266    51.824  2.9050  54.967  2.5991  -3.142918      3.897981 
1 1 1 -4  -17 23 o 50.608  1.9792  345.523   26.620    333.370   38.985    356.140   36.437    49.757  2.9382  51.459  2.6526  -1.701565      3.958454 
1 1 1 -4  -17 24 o 31.334  2.2115  132.986   18.300    139.571   26.289    126.796   25.489    32.097  3.0963  30.571  3.1585  1.526489       4.423018 
1 1 1 -4  -17 25 o 140.085 2.9799  2641.62   111.773   2587.52   158.946   2694.56   157.210   138.655 4.2798  141.515 4.1475  -2.860123      5.959737 
1 1 1 -4  -17 26 o 88.995  2.2888  1064.44   54.538    1051.29   77.933    1077.06   76.348    88.452  3.2895  89.539  3.1834  -1.086632      4.577638 
1 1 1 -4  -17 27 o 90.726  2.3167  1106.62   56.286    1108.10   80.460    1105.20   78.767    90.782  3.3090  90.670  3.2433  0.1118088      4.633402 
1 1 1 -4  -17 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -17 29 o 65.144  2.1223  570.688   37.020    589.500   52.972    552.728   51.759    66.194  2.9877  64.094  3.0149  2.100449       4.244555 
1 1 1 -4  -17 30 o 105.553 2.5415  1503.97   71.837    1546.40   102.000   1462.21   101.191   107.039 3.5577  104.068 3.6303  2.970940       5.082922 
1 1 1 -4  -17 31 o 97.970  2.4338  1296.82   63.865    1311.99   90.543    1281.81   90.094    98.543  3.4304  97.397  3.4535  1.145660       4.867699 
1 1 1 -4  -17 32 o 41.604  2.1145  235.278   23.362    223.566   33.412    246.483   32.679    40.564  3.0987  42.644  2.8779  -2.080082      4.228949 
1 1 1 -4  -17 33 o 19.543  2.9316  55.815    15.204    80.902    21.303    29.768    21.706    24.200  3.3786  14.885  4.7919  9.314939       5.863154 
1 1 1 -4  -17 34 o 60.615  2.1521  498.790   34.860    478.849   49.106    519.048   49.494    59.340  3.1003  61.890  2.9857  -2.549580      4.304206 
1 1 1 -4  -17 35 f 73.315  2.2512  731.359   44.192    747.489   62.203    714.922   62.795    74.150  3.1320  72.480  3.2345  1.669228       4.502383 
1 1 1 -4  -17 36 o 51.323  2.2149  360.105   30.281    343.107   42.617    377.437   43.033    50.074  3.1941  52.571  3.0694  -2.496281      4.429859 
1 1 1 -4  -17 37 o 41.825  2.3166  241.838   25.546    272.184   35.975    210.973   36.282    44.579  3.0309  39.071  3.5042  5.508259       4.633110 
1 1 1 -4  -17 38 o 76.363  2.3836  802.117   48.701    825.299   68.011    777.719   69.771    77.552  3.2742  75.175  3.4651  2.377037       4.767272 
1 1 1 -4  -17 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -17 40 o 63.086  2.3872  554.707   40.124    588.067   55.990    519.488   57.529    65.196  3.2063  60.976  3.5376  4.220039       4.774417 
1 1 1 -4  -17 41 o 22.640  3.4334  77.784    20.192    86.803    27.830    67.760    29.343    24.249  4.4488  21.031  5.2307  3.217777       6.866761 
1 1 1 -4  -17 42 o 23.795  3.3680  85.691    20.659    83.074    28.029    88.804    30.569    23.465  4.6240  24.124  4.8982  -0.6589527     6.735962 
1 1 1 -4  -17 43 o 23.639  3.5406  86.595    21.750    69.506    29.508    106.925   32.185    20.864  5.2768  26.415  4.7223  -5.551489      7.081243 
1 1 1 -4  -17 44 o 20.089  3.2424  67.248    16.633    49.437    28.571    76.378    20.456    17.354  5.4883  22.823  3.4543  -5.469227      6.484894 
1 1 1 -4  -17 45 o 9.5372  2.9186  1.9504    12.497    7.6763    23.333    -0.3529   14.799    10.889  4.6155  8.1852  3.5734  2.704029       5.837186 
1 1 1 -4  -17 46 o 14.892  3.3899  27.231    14.732    60.840    28.133    14.534    17.292    18.912  5.3268  10.872  4.1941  8.039619       6.779785 
1 1 1 -4  -17 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -17 48 o 19.960  3.5594  64.209    18.157    87.856    32.014    52.996    22.045    22.167  5.4339  17.753  4.5991  4.413933       7.118861 
1 1 1 -4  -17 49 o 11.046  3.2225  15.654    14.899    5.9395    29.106    19.103    17.344    10.854  4.8600  11.238  4.2328  -0.3839207     6.444900 
1 1 1 -4  -16 1  o 88.616  2.2128  1053.17   52.520    1055.72   74.623    1050.66   73.931    88.722  3.1402  88.509  3.1185  0.2122498      4.425585 
1 1 1 -4  -16 2  o 260.230 4.9822  9133.74   347.264   9182.58   491.744   9085.14   490.470   260.927 7.0361  259.534 7.0555  1.393127       9.964299 
1 1 1 -4  -16 3  f 166.467 3.3755  3723.12   150.502   3705.20   213.255   3740.91   212.431   166.066 4.7943  166.869 4.7528  -0.8028259     6.750932 
1 1 1 -4  -16 4  o 260.928 4.9624  9179.59   346.789   9329.90   490.893   9029.84   489.975   263.073 6.9666  258.783 7.0689  4.290131       9.924847 
1 1 1 -4  -16 5  o 147.732 2.9951  2931.41   118.394   3091.22   167.763   2772.84   167.109   151.754 4.1273  143.710 4.3413  8.044479       5.990153 
1 1 1 -4  -16 6  o 196.516 3.8229  5192.11   201.212   5265.13   284.621   5119.15   284.492   197.902 5.3694  195.129 5.4433  2.773148       7.645891 
1 1 1 -4  -16 7  o 143.238 2.9500  2753.98   113.176   2723.39   159.869   2784.73   160.242   142.439 4.1903  144.037 4.1535  -1.598099      5.900048 
1 1 1 -4  -16 8  o 97.793  2.2357  1282.40   58.559    1269.49   82.515    1295.49   83.119    97.298  3.1662  98.289  3.1572  -0.9913940     4.471341 
1 1 1 -4  -16 9  o 193.929 3.7806  5055.58   196.378   5061.01   277.389   5050.13   278.053   194.035 5.3373  193.824 5.3559  0.2110901      7.561236 
1 1 1 -4  -16 10 o 46.002  1.6916  284.232   20.734    256.821   29.057    312.667   29.595    43.702  2.4927  48.301  2.2876  -4.599434      3.383259 
1 1 1 -4  -16 11 f 110.111 2.4107  1626.32   71.097    1626.89   100.199   1625.75   100.897   110.131 3.3968  110.091 3.4217  0.3960419E-01  4.821385 
1 1 1 -4  -16 12 o 184.698 3.5966  4585.22   177.920   4621.99   251.357   4548.31   251.877   185.443 5.0605  183.952 5.1120  1.490829       7.193145 
1 1 1 -4  -16 13 o 119.949 2.5719  1930.68   82.624    1951.09   116.563   1910.07   117.136   120.588 3.6089  119.310 3.6654  1.278046       5.143858 
1 1 1 -4  -16 14 o 125.564 2.6161  2115.81   87.985    2115.75   124.225   2115.88   124.636   125.563 3.6937  125.566 3.7058  -0.3204346E-02 5.232224 
1 1 1 -4  -16 15 o 131.018 2.7371  2304.40   96.045    2338.00   135.764   2270.74   135.892   131.977 3.8406  130.060 3.9009  1.916840       5.474214 
1 1 1 -4  -16 16 o 67.173  1.8651  605.049   33.533    635.075   47.648    575.584   47.201    68.825  2.5847  65.520  2.6896  3.305801       3.730222 
1 1 1 -4  -16 17 o 97.199  2.2553  1267.39   58.714    1280.99   83.325    1253.98   82.748    97.718  3.1836  96.681  3.1954  1.036545       4.510602 
1 1 1 -4  -16 18 o 68.994  1.9160  638.138   35.403    652.482   50.560    624.339   49.588    69.755  2.7061  68.234  2.7132  1.521172       3.832053 
1 1 1 -4  -16 19 o 41.465  1.8284  231.412   20.173    231.908   29.390    230.971   27.740    41.501  2.6579  41.429  2.5117  0.7243347E-01  3.656884 
1 1 1 -4  -16 20 o 130.369 2.7581  2282.49   96.304    2315.38   137.072   2250.42   135.333   131.297 3.8977  129.441 3.9034  1.855545       5.516182 
1 1 1 -4  -16 21 o 37.047  1.9523  184.430   19.197    197.197   28.197    173.401   26.209    38.244  2.7715  35.851  2.7503  2.392483       3.904584 
1 1 1 -4  -16 22 o 175.947 3.5230  4166.46   166.004   4263.99   235.956   4070.87   233.592   177.991 4.9493  173.902 5.0149  4.088867       7.045918 
1 1 1 -4  -16 23 o 104.940 2.4350  1477.66   68.409    1545.88   97.940    1412.68   95.592    107.307 3.4076  102.574 3.4793  4.732376       4.870016 
1 1 1 -4  -16 24 o 70.534  2.0789  666.688   39.247    702.098   56.599    633.893   54.470    72.336  2.9212  68.731  2.9588  3.604950       4.157848 
1 1 1 -4  -16 25 o 78.160  2.1449  819.208   44.881    855.794   64.509    784.887   62.481    79.851  3.0162  76.469  3.0505  3.381432       4.289872 
1 1 1 -4  -16 26 o 104.234 2.4596  1460.55   68.633    1420.80   97.686    1499.29   96.448    102.826 3.5468  105.642 3.4086  -2.815559      4.919173 
1 1 1 -4  -16 27 o 90.317  2.3027  1096.11   55.633    1170.71   79.294    1023.78   78.073    93.352  3.1712  87.282  3.3395  6.069130       4.605350 
1 1 1 -4  -16 28 f 159.235 3.3315  3424.02   142.061   3349.11   201.042   3498.73   200.768   157.480 4.7662  160.990 4.6559  -3.509842      6.662921 
1 1 1 -4  -16 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -16 30 o 55.483  2.1093  415.338   31.227    425.002   44.447    405.919   43.881    56.124  2.9672  54.842  2.9986  1.282303       4.218564 
1 1 1 -4  -16 31 o 116.927 2.7359  1849.27   85.658    1897.90   121.005   1800.43   121.274   118.485 3.8129  115.370 3.9245  3.114914       5.471741 
1 1 1 -4  -16 32 o 116.465 2.7065  1838.56   84.396    1887.31   118.915   1789.08   119.798   118.044 3.7610  114.885 3.8931  3.158966       5.413077 
1 1 1 -4  -16 33 o 69.111  2.2093  645.850   40.896    646.762   57.666    644.927   58.008    69.163  3.1128  69.060  3.1360  0.1030960      4.418635 
1 1 1 -4  -16 34 f 108.451 2.6469  1602.24   76.858    1636.52   108.060   1567.14   109.338   109.655 3.6791  107.245 3.8063  2.409927       5.293755 
1 1 1 -4  -16 35 o 46.279  2.1607  291.780   26.618    278.533   37.323    305.490   37.971    45.194  3.1020  47.364  3.0087  -2.170444      4.321441 
1 1 1 -4  -16 36 o 70.629  2.2810  679.942   43.118    693.432   60.194    665.725   61.794    71.377  3.1485  69.881  3.3014  1.496307       4.562030 
1 1 1 -4  -16 37 o 28.041  2.5855  109.318   18.919    101.090   26.089    118.444   27.476    26.895  3.7214  29.187  3.5904  -2.292330      5.170999 
1 1 1 -4  -16 38 o 87.566  2.5044  1054.63   58.709    1056.44   81.788    1052.71   84.323    87.682  3.4825  87.450  3.5999  0.2310638      5.008732 
1 1 1 -4  -16 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -16 40 o 45.236  2.4276  285.105   29.156    283.951   40.210    286.384   42.339    45.182  3.3464  45.289  3.5178  -0.1066971     4.855240 
1 1 1 -4  -16 41 o 58.126  2.4585  474.257   37.988    484.046   52.161    463.202   55.434    58.880  3.3209  57.371  3.6260  1.508762       4.916980 
1 1 1 -4  -16 42 o 9.8934  3.1380  -5.7722   16.693    -1.7359   20.574    -13.5494  28.559    9.5915  4.1997  10.195  4.6637  -0.6037283     6.275915 
1 1 1 -4  -16 43 o 23.038  2.9404  77.185    16.780    86.328    28.601    72.386    20.720    23.786  4.6558  22.290  3.5927  1.496288       5.880806 
1 1 1 -4  -16 44 o 12.160  3.2084  17.547    13.209    26.609    23.673    13.449    15.917    13.671  4.9816  10.649  4.0445  3.022741       6.416785 
1 1 1 -4  -16 45 o 11.445  3.1763  14.934    13.538    17.031    23.763    13.926    16.472    12.151  4.8473  10.739  4.1059  1.412067       6.352520 
1 1 1 -4  -16 46 o 23.959  3.1939  94.278    18.422    78.953    31.729    102.071   22.627    21.528  5.4865  26.390  3.2713  -4.861614      6.387702 
1 1 1 -4  -16 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -16 48 o 12.081  3.2727  6.7600    14.564    48.669    28.447    -8.1279   16.955    16.444  5.4968  7.7181  3.5536  8.726292       6.545415 
1 1 1 -4  -16 49 o 20.808  3.6697  72.173    19.165    99.807    34.954    60.294    22.917    22.902  5.7161  18.714  4.6036  4.187773       7.339437 
1 1 1 -4  -15 1  o 44.451  1.7784  265.895   21.068    254.207   29.909    277.405   29.681    43.473  2.5801  45.429  2.4483  -1.956066      3.556835 
1 1 1 -4  -15 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 6  o 78.541  2.8904  829.760   60.555    830.432   87.256    829.136   84.105    78.565  4.1613  78.516  4.0126  0.4914093E-01  5.780775 
1 1 1 -4  -15 7  f 290.872 5.4556  11399.48  425.046   11435.63  600.934   11363.29  601.278   291.337 7.7009  290.408 7.7300  0.9294739      10.91129 
1 1 1 -4  -15 8  o 164.865 3.2510  3647.89   143.559   3635.32   202.710   3660.54   203.338   164.580 4.5984  165.150 4.5968  -0.5701141     6.501995 
1 1 1 -4  -15 9  o 88.565  2.1009  1051.36   49.828    1023.06   70.138    1080.19   70.801    87.362  2.9974  89.769  2.9446  -2.407204      4.201772 
1 1 1 -4  -15 10 o 341.587 9.1432  15910.02  835.798   15161.44  1182.87   16656.41  1181.13   333.413 13.245  349.761 12.608  -16.34839      18.28647 
1 1 1 -4  -15 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 14 f 213.136 5.8102  6134.76   331.653   6002.26   465.917   6270.86   472.204   210.796 8.2520  215.476 8.1817  -4.680557      11.62044 
1 1 1 -4  -15 15 o 127.219 2.6672  2171.92   90.861    2233.41   128.721   2110.84   128.275   129.017 3.7249  125.421 3.8184  3.596085       5.334309 
1 1 1 -4  -15 16 o 117.214 2.5350  1843.33   79.580    1879.96   112.908   1807.17   112.182   118.372 3.5611  116.055 3.6089  2.317169       5.070046 
1 1 1 -4  -15 17 o 48.349  1.7732  313.326   22.835    349.967   33.006    279.682   31.627    51.097  2.4116  45.601  2.6001  5.495453       3.546320 
1 1 1 -4  -15 18 o 196.288 3.7953  5183.77   199.528   5256.96   282.957   5111.39   281.399   197.670 5.3443  194.906 5.3902  2.763809       7.590533 
1 1 1 -4  -15 19 f 122.395 2.6279  2011.17   86.138    1998.30   122.626   2023.70   121.024   122.006 3.7524  122.784 3.6799  -0.7786560     5.255726 
1 1 1 -4  -15 20 o 88.758  2.1719  1056.79   51.616    1058.63   74.007    1055.05   72.026    88.831  3.1104  88.685  3.0322  0.1464157      4.343832 
1 1 1 -4  -15 21 o 127.894 2.7397  2196.25   93.840    2237.74   133.916   2156.23   131.536   129.081 3.8733  126.708 3.8757  2.372849       5.479394 
1 1 1 -4  -15 22 o 118.857 2.6428  1897.44   84.114    1882.03   120.053   1912.29   117.885   118.379 3.7863  119.335 3.6881  -0.9564133     5.285648 
1 1 1 -4  -15 23 o 118.887 2.6562  1898.13   84.575    1912.37   120.641   1884.37   118.598   119.324 3.7747  118.450 3.7381  0.8734283      5.312413 
1 1 1 -4  -15 24 o 120.350 2.6536  1945.19   85.531    1979.71   121.882   1911.70   120.057   121.403 3.7482  119.298 3.7572  2.104416       5.307142 
1 1 1 -4  -15 25 o 203.321 4.0561  5578.00   220.846   5456.57   312.707   5698.83   311.943   201.095 5.8056  205.547 5.6660  -4.452026      8.112214 
1 1 1 -4  -15 26 o 131.279 2.8597  2317.71   100.532   2266.07   142.365   2369.07   141.982   129.814 4.0944  132.745 3.9933  -2.930618      5.719305 
1 1 1 -4  -15 27 o 105.290 2.4793  1489.70   69.907    1527.65   99.173    1452.21   98.558    106.627 3.4725  103.954 3.5396  2.672668       4.958552 
1 1 1 -4  -15 28 o 77.390  2.2133  804.885   45.862    783.188   65.049    826.332   64.671    76.349  3.1809  78.432  3.0784  -2.082764      4.426597 
1 1 1 -4  -15 29 o 104.306 2.5190  1464.20   70.375    1466.39   99.453    1462.02   99.598    104.384 3.5571  104.227 3.5676  0.1572342      5.037944 
1 1 1 -4  -15 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 31 o 38.123  2.2400  198.232   22.429    229.471   31.767    167.180   31.672    41.194  2.8975  35.052  3.4169  6.142910       4.480033 
1 1 1 -4  -15 32 o 110.096 2.6259  1639.14   77.430    1636.74   108.772   1641.60   110.247   110.021 3.6911  110.172 3.7360  -0.1506424     5.251849 
1 1 1 -4  -15 33 o 6.7961  2.2571  -19.3507  10.949    -7.0588   14.747    -34.4483  16.343    7.6587  3.4422  5.9335  2.9204  1.725174       4.514122 
1 1 1 -4  -15 34 o 21.293  2.8522  63.417    15.624    51.712    21.382    76.829    22.888    19.095  4.2857  23.491  3.7647  -4.395344      5.704420 
1 1 1 -4  -15 35 o 42.526  2.2160  246.900   25.028    254.133   34.838    239.185   35.979    43.198  3.0301  41.853  3.2345  1.345146       4.432073 
1 1 1 -4  -15 36 o 18.651  3.1132  48.963    15.431    36.774    20.807    63.861    23.004    16.100  4.5972  21.202  4.1993  -5.102158      6.226446 
1 1 1 -4  -15 37 o 41.475  2.2847  235.850   25.170    232.608   35.008    239.319   36.215    41.188  3.1983  41.761  3.2636  -0.5737190     4.569495 
1 1 1 -4  -15 38 o 29.786  2.6971  124.443   20.853    127.148   28.046    121.099   31.183    30.244  3.5285  29.328  4.0801  0.9159546      5.394199 
1 1 1 -4  -15 39 o 55.716  2.3746  429.836   35.125    459.852   48.856    397.722   50.535    57.834  3.1659  53.598  3.5400  4.235504       4.749157 
1 1 1 -4  -15 40 o 9.9285  2.9306  -11.7345  14.661    -34.6616  19.139    20.824    22.808    6.6520  3.2504  13.205  4.8775  -6.552999      5.861291 
1 1 1 -4  -15 41 o 41.981  2.3053  252.576   24.726    214.244   38.630    279.179   32.181    38.924  3.7517  45.038  2.6798  -6.114067      4.610516 
1 1 1 -4  -15 42 o 44.359  2.2889  277.759   26.347    267.370   41.532    284.756   34.083    43.418  3.6038  45.300  2.8230  -1.881916      4.577894 
1 1 1 -4  -15 43 o 7.2826  3.0721  -18.7629  8.8698    -78.6810  17.658    1.4574    10.258    ?       ?       7.2826  3.0721  ?              ?        
1 1 1 -4  -15 44 o 11.398  3.1174  15.284    13.086    8.8139    24.024    18.014    15.604    11.297  4.7299  11.500  4.0623  -0.2031708     6.234890 
1 1 1 -4  -15 45 o 28.614  2.7389  120.106   19.711    130.643   32.908    114.209   24.616    29.226  4.3352  28.002  3.3485  1.223854       5.477832 
1 1 1 -4  -15 46 o 13.687  3.4160  24.372    15.001    43.627    26.572    15.364    18.175    16.215  5.3079  11.159  4.3013  5.055676       6.831954 
1 1 1 -4  -15 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -15 48 o 9.8591  3.0680  1.6553    13.802    10.943    27.256    -1.5475   16.005    11.508  4.9361  8.2101  3.6447  3.297924       6.135931 
1 1 1 -4  -15 49 o 20.427  3.5580  81.421    20.018    51.713    34.525    96.467    24.570    16.142  5.9933  24.711  3.8366  -8.568640      7.116089 
1 1 1 -4  -14 1  o 261.957 4.9862  9234.02   349.842   9343.86   495.382   9124.74   494.124   263.517 7.0185  260.397 7.0845  3.119781       9.972423 
1 1 1 -4  -14 2  o 65.464  1.9216  574.351   33.692    569.701   47.768    578.954   47.529    65.200  2.7352  65.728  2.6997  -0.5278778     3.843194 
1 1 1 -4  -14 3  o 318.485 5.9537  13663.75  507.850   13866.05  718.726   13462.03  717.692   320.851 8.3632  316.118 8.4762  4.733490       11.90748 
1 1 1 -4  -14 4  o 124.927 2.6779  2093.69   89.509    2211.44   126.787   1976.69   126.384   128.434 3.6856  121.419 3.8861  7.014954       5.355872 
1 1 1 -4  -14 5  o 43.280  1.7099  251.603   19.732    240.503   27.568    263.264   28.256    42.297  2.4438  44.263  2.3922  -1.965862      3.419705 
1 1 1 -4  -14 6  o 202.171 3.9191  5486.07   212.207   5400.80   299.846   5571.63   300.365   200.594 5.5807  203.748 5.5039  -3.153839      7.838197 
1 1 1 -4  -14 7  o 312.951 5.8298  13179.26  488.646   13003.50  690.651   13355.44  691.449   310.852 8.2950  315.049 8.1939  -4.196869      11.65966 
1 1 1 -4  -14 8  o 286.461 5.4010  11036.22  414.342   11261.64  585.824   10810.58  586.114   289.401 7.5575  283.521 7.7180  5.879272       10.80204 
1 1 1 -4  -14 9  o 299.860 5.5596  12095.55  446.528   12097.83  631.148   12093.26  631.825   299.890 7.8574  299.831 7.8674  0.5838013E-01  11.11913 
1 1 1 -4  -14 10 o 374.003 6.9754  18869.73  698.749   19021.91  988.000   18717.44  988.361   375.523 9.8227  372.482 9.9065  3.040375       13.95080 
1 1 1 -4  -14 11 o 110.295 2.3873  1630.86   70.492    1564.98   99.340    1697.67   100.045   108.050 3.4325  112.541 3.3189  -4.490845      4.774657 
1 1 1 -4  -14 12 o 168.902 3.3546  3827.93   151.758   3855.41   214.414   3800.35   214.822   169.510 4.7225  168.293 4.7657  1.217468       6.709190 
1 1 1 -4  -14 13 o 178.864 3.4578  4294.00   165.652   4323.50   234.129   4264.44   234.405   179.480 4.8702  178.247 4.9097  1.233398       6.915509 
1 1 1 -4  -14 14 o 182.810 3.5728  4487.33   174.933   4545.84   247.515   4428.93   247.271   184.004 5.0221  181.617 5.0831  2.387085       7.145595 
1 1 1 -4  -14 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -14 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -14 17 o 95.297  2.2297  1217.87   56.901    1216.19   81.301    1219.49   79.664    95.231  3.1873  95.363  3.1189  -0.1318817     4.459408 
1 1 1 -4  -14 18 o 189.501 3.7095  4828.47   188.278   4827.67   267.155   4829.26   265.386   189.483 5.2639  189.519 5.2280  -0.3636169E-01 7.418909 
1 1 1 -4  -14 19 o 174.718 3.4851  4104.31   163.072   4049.73   231.561   4158.00   229.686   173.558 4.9812  175.878 4.8757  -2.319122      6.970252 
1 1 1 -4  -14 20 o 205.482 4.0076  5684.69   220.540   5821.03   313.120   5550.47   310.676   207.936 5.6220  203.029 5.7130  4.907211       8.015299 
1 1 1 -4  -14 21 o 142.626 2.9968  2733.07   114.473   2729.25   162.960   2736.78   160.839   142.525 4.2688  142.728 4.2072  -0.2031708     5.993560 
1 1 1 -4  -14 22 o 25.172  2.2523  86.040    14.814    91.600    21.829    81.294    20.170    25.931  3.2116  24.413  3.1586  1.518312       4.504591 
1 1 1 -4  -14 23 o 109.376 2.5050  1606.25   73.378    1596.70   104.411   1615.58   103.146   109.052 3.5745  109.700 3.5104  -0.6477509     5.010004 
1 1 1 -4  -14 24 o 136.831 2.8933  2515.95   106.036   2545.07   150.408   2487.17   149.511   137.620 4.0804  136.043 4.1031  1.576981       5.786603 
1 1 1 -4  -14 25 o 90.463  2.2975  1098.76   55.597    1171.38   79.097    1027.84   78.165    93.424  3.1609  87.502  3.3350  5.921455       4.594975 
1 1 1 -4  -14 26 o 140.683 3.0112  2661.50   113.467   2666.18   160.462   2656.82   160.470   140.807 4.2546  140.559 4.2623  0.2484436      6.022379 
1 1 1 -4  -14 27 o 34.810  2.1892  164.306   20.080    184.999   28.602    144.192   28.199    37.014  2.9083  32.607  3.2729  4.407440       4.378415 
1 1 1 -4  -14 28 o 81.513  2.2451  892.405   49.018    893.864   69.253    890.941   69.391    81.580  3.1693  81.446  3.1809  0.1343384      4.490256 
1 1 1 -4  -14 29 f 19.482  3.0373  54.589    15.628    71.606    21.530    35.638    22.720    22.790  3.6502  16.174  4.8557  6.616091       6.074631 
1 1 1 -4  -14 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -14 31 o 58.331  2.1617  459.165   33.637    461.072   46.849    457.137   48.326    58.465  3.0018  58.198  3.1114  0.2661896      4.323408 
1 1 1 -4  -14 32 o 52.155  2.1216  368.056   29.468    380.486   41.066    354.861   42.310    53.082  2.8993  51.227  3.0981  1.854702       4.243132 
1 1 1 -4  -14 33 o 34.473  2.2805  161.064   20.665    137.715   28.255    187.916   30.301    31.750  3.3743  37.196  3.0688  -5.446123      4.561039 
1 1 1 -4  -14 34 o 60.063  2.2009  489.195   35.268    493.252   49.209    484.909   50.572    60.333  3.0550  59.793  3.1690  0.5401039      4.401787 
1 1 1 -4  -14 35 o 17.837  3.1116  46.296    14.991    56.377    20.175    33.868    22.401    20.003  3.9058  15.672  4.8450  4.330966       6.223262 
1 1 1 -4  -14 36 o 20.306  3.0484  59.044    16.052    63.859    22.127    53.694    23.322    21.255  4.0341  19.356  4.5714  1.898533       6.096871 
1 1 1 -4  -14 37 o 52.367  2.2312  375.503   31.077    393.484   43.289    356.380   44.642    53.711  3.0213  51.023  3.2840  2.687756       4.462383 
1 1 1 -4  -14 38 o 45.832  2.3363  289.822   28.350    307.019   39.116    270.793   41.147    47.346  3.1017  44.318  3.4947  3.027393       4.672599 
1 1 1 -4  -14 39 o 15.246  2.8558  28.669    12.046    53.138    20.499    15.763    14.888    19.219  4.1069  11.274  3.9695  7.944366       5.711684 
1 1 1 -4  -14 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -14 41 o 28.768  2.7610  127.834   18.746    82.662    29.443    158.627   24.310    23.616  4.8180  33.919  2.6980  -10.30386      5.521967 
1 1 1 -4  -14 42 o 25.997  2.7968  99.249    17.926    92.086    29.643    103.379   22.508    24.896  4.6153  27.099  3.1604  -2.202955      5.593680 
1 1 1 -4  -14 43 o 18.028  3.1393  53.584    15.139    32.164    26.442    64.030    18.466    14.974  5.2882  21.082  3.3846  -6.108088      6.278571 
1 1 1 -4  -14 44 o 41.207  2.4176  244.162   25.758    241.874   41.018    245.652   33.099    40.719  3.8049  41.694  2.9835  -0.9753952     4.835153 
1 1 1 -4  -14 45 o 51.892  2.3520  381.897   31.994    423.956   50.866    354.367   41.154    53.984  3.5374  49.800  3.1006  4.183712       4.703960 
1 1 1 -4  -14 46 o 14.887  3.4907  31.710    15.730    49.869    27.128    22.512    19.308    17.266  5.3308  12.509  4.5080  4.757123       6.981360 
1 1 1 -4  -14 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -14 48 o 18.796  3.6006  63.610    18.864    48.145    31.906    71.921    23.390    16.358  5.8055  21.234  4.2606  -4.876530      7.201162 
1 1 1 -4  -14 49 o 10.917  3.1253  14.766    14.249    0.1749    27.028    20.383    16.769    10.266  4.6326  11.568  4.1962  -1.302007      6.250515 
1 1 1 -4  -13 1  o 151.214 3.1049  3066.06   125.755   3064.68   178.262   3067.42   177.431   151.179 4.4023  151.248 4.3798  -0.6858826E-01 6.209861 
1 1 1 -4  -13 2  o 434.756 8.0219  25509.91  933.739   26395.68  1321.67   24627.27  1319.34   442.346 11.155  427.166 11.531  15.18033       16.04377 
1 1 1 -4  -13 3  o 120.679 2.6151  1952.37   84.497    1892.67   119.583   2011.89   119.410   118.834 3.7570  122.523 3.6386  -3.688477      5.230126 
1 1 1 -4  -13 4  o 100.831 2.2881  1362.52   61.781    1325.67   87.307    1399.47   87.437    99.465  3.2771  102.198 3.1942  -2.732536      4.576275 
1 1 1 -4  -13 5  o 124.439 2.6399  2075.33   87.978    2031.51   124.239   2119.41   124.600   123.120 3.7674  125.757 3.6991  -2.636978      5.279823 
1 1 1 -4  -13 6  f 404.259 7.4844  22002.98  810.400   22132.36  1145.94   21873.54  1146.22   405.454 10.552  403.063 10.617  2.390778       14.96881 
1 1 1 -4  -13 7  o 224.817 4.2835  6780.54   257.932   6734.09   364.411   6827.17   365.133   224.044 6.0725  225.589 6.0429  -1.544876      8.566903 
1 1 1 -4  -13 8  o 258.786 4.8582  8989.22   336.739   9042.07   475.956   8936.25   476.487   259.550 6.8463  258.022 6.8945  1.527313       9.716310 
1 1 1 -4  -13 9  o 355.704 6.6281  17018.15  631.481   17140.37  892.852   16895.83  893.245   356.987 9.3377  354.420 9.4094  2.567322       13.25629 
1 1 1 -4  -13 10 o 122.223 2.5792  2001.96   84.436    1988.54   119.124   2015.51   119.699   121.811 3.6511  122.635 3.6441  -0.8237000     5.158472 
1 1 1 -4  -13 11 f 183.177 3.5740  4500.57   175.321   4593.78   247.824   4407.19   248.060   185.079 4.9992  181.276 5.1089  3.803268       7.147906 
1 1 1 -4  -13 12 o 131.790 2.7110  2328.39   95.684    2374.05   135.247   2282.63   135.389   133.085 3.7941  130.495 3.8735  2.590027       5.422094 
1 1 1 -4  -13 13 o 81.840  2.0041  897.631   43.923    879.381   62.215    915.766   62.019    81.010  2.8672  82.670  2.8008  -1.659988      4.008196 
1 1 1 -4  -13 14 f 154.983 3.1264  3221.50   129.783   3242.23   183.856   3200.91   183.227   155.481 4.4148  154.486 4.4280  0.9947205      6.252850 
1 1 1 -4  -13 15 o 277.291 5.2380  10345.48  389.037   10391.85  550.809   10299.33  549.557   277.912 7.3995  276.669 7.4159  1.242706       10.47609 
1 1 1 -4  -13 16 o 125.219 2.6502  2102.96   88.875    2090.37   126.422   2115.26   124.969   124.848 3.7805  125.591 3.7149  -0.7440567     5.300300 
1 1 1 -4  -13 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -13 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -13 19 o 62.942  1.8789  530.250   31.650    557.115   45.793    505.679   43.794    64.466  2.6521  61.418  2.6621  3.048199       3.757702 
1 1 1 -4  -13 20 o 73.437  2.0122  724.181   39.521    696.119   56.711    750.676   55.105    72.049  2.9387  74.825  2.7495  -2.776237      4.024400 
1 1 1 -4  -13 21 o 203.673 3.9514  5584.36   215.523   5723.44   305.630   5446.78   303.969   206.206 5.5336  201.140 5.6421  5.065460       7.902788 
1 1 1 -4  -13 22 o 85.341  2.1639  976.706   49.441    1018.45   70.546    936.409   69.310    87.134  3.0227  83.547  3.0972  3.586761       4.327764 
1 1 1 -4  -13 23 o 159.212 3.2429  3408.62   138.278   3354.14   195.736   3462.89   195.373   157.937 4.6270  160.488 4.5450  -2.551208      6.485818 
1 1 1 -4  -13 24 o 251.709 4.8694  8565.20   328.291   8551.88   464.246   8578.52   464.303   251.512 6.8913  251.906 6.8813  -0.3947449     9.738720 
1 1 1 -4  -13 25 o 125.378 2.7847  2112.04   93.516    2100.82   132.285   2123.24   132.217   125.044 3.9497  125.712 3.9266  -0.6679230     5.569393 
1 1 1 -4  -13 26 o 100.104 2.4301  1345.71   65.144    1369.74   91.829    1321.37   92.430    101.006 3.3942  99.201  3.4786  1.805885       4.860217 
1 1 1 -4  -13 27 o 128.787 2.8243  2229.50   97.423    2212.51   137.269   2246.74   138.289   128.293 3.9947  129.282 3.9936  -0.9888611     5.648542 
1 1 1 -4  -13 28 f 118.042 2.7022  1873.49   85.425    1890.84   120.169   1855.77   121.460   118.599 3.7829  117.485 3.8598  1.113976       5.404426 
1 1 1 -4  -13 29 o 28.158  2.5320  108.257   18.629    107.644   25.549    108.953   27.220    28.088  3.4697  28.227  3.6885  -0.1389751     5.063954 
1 1 1 -4  -13 30 o 83.927  2.2995  947.200   51.675    951.473   72.252    942.724   73.935    84.125  3.2065  83.729  3.2968  0.3969116      4.598966 
1 1 1 -4  -13 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -13 32 o 101.256 2.5159  1382.31   68.194    1317.74   95.282    1450.13   97.643    98.824  3.5996  103.688 3.5158  -4.863251      5.031727 
1 1 1 -4  -13 33 o 72.238  2.2371  705.425   43.187    734.811   59.951    673.726   62.266    73.826  3.0318  70.650  3.2904  3.176857       4.474216 
1 1 1 -4  -13 34 o 49.611  2.1693  333.920   28.639    337.807   39.546    329.633   41.529    49.935  2.9701  49.287  3.1625  0.6477776      4.338577 
1 1 1 -4  -13 35 o 64.213  2.2335  559.594   38.298    567.948   53.110    550.543   55.279    64.775  3.0611  63.651  3.2532  1.123817       4.467000 
1 1 1 -4  -13 36 o 72.010  2.2907  703.750   44.155    680.823   61.140    728.745   63.837    70.791  3.2245  73.230  3.2546  -2.439262      4.581445 
1 1 1 -4  -13 37 o 27.268  3.2735  108.505   21.620    115.003   26.707    96.151    36.826    28.811  3.5349  25.725  5.5106  3.086212       6.546947 
1 1 1 -4  -13 38 o 40.706  2.0978  223.878   22.493    246.212   34.863    207.952   29.441    42.395  3.0914  39.016  2.8366  3.379543       4.195650 
1 1 1 -4  -13 39 o 15.546  2.8524  37.738    13.065    12.188    21.752    52.157    16.341    11.833  4.6636  19.260  3.2855  -7.427100      5.704710 
1 1 1 -4  -13 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -13 41 o 33.461  2.4118  161.253   20.365    137.227   32.154    177.346   26.315    31.052  3.9558  35.869  2.7602  -4.817095      4.823579 
1 1 1 -4  -13 42 o 44.386  2.2474  276.328   26.045    268.055   40.486    282.170   34.019    43.626  3.4940  45.146  2.8275  -1.519836      4.494767 
1 1 1 -4  -13 43 o 29.036  2.5871  123.180   18.847    113.057   30.316    129.557   24.062    27.715  4.2169  30.357  2.9985  -2.642281      5.174287 
1 1 1 -4  -13 44 o 20.971  3.1333  69.902    16.459    56.816    27.450    77.248    20.565    18.866  5.2434  23.077  3.4316  -4.211020      6.266557 
1 1 1 -4  -13 45 o 43.742  2.3515  263.361   26.706    348.185   43.447    211.846   33.858    49.179  3.3177  38.305  3.3332  10.87373       4.702914 
1 1 1 -4  -13 46 o 8.4078  2.6289  -4.8428   12.551    -34.4007  23.195    7.3953    14.925    7.4633  3.6316  9.3524  3.8022  -1.889124      5.257896 
1 1 1 -4  -13 47 f 10.707  4.8286  -3.2490   29.307    -3.2490   29.307    0.0000    0.0000    10.707  4.8286  ?       ?       ?              ?        
1 1 1 -4  -13 48 o 14.777  3.6498  34.518    16.933    44.293    29.650    29.786    20.628    15.912  5.6019  13.643  4.6801  2.268824       7.299636 
1 1 1 -4  -13 49 o 22.325  3.5628  86.738    19.637    87.094    35.276    86.578    23.639    21.245  5.9580  23.405  3.9086  -2.159348      7.125678 
1 1 1 -4  -12 1  o 681.232 12.564  62982.68  2292.45   63258.89  3242.71   62706.71  3241.33   682.743 17.732  679.721 17.803  3.022278       25.12750 
1 1 1 -4  -12 2  o 163.777 3.2763  3595.25   143.721   3631.06   203.605   3559.69   202.901   164.591 4.6184  162.964 4.6484  1.626465       6.552671 
1 1 1 -4  -12 3  o 345.305 6.3967  16018.89  591.508   16400.54  837.045   15638.19  835.995   349.425 8.9435  341.184 9.1480  8.241302       12.79341 
1 1 1 -4  -12 4  o 160.842 3.2228  3467.24   138.840   3451.05   196.281   3483.46   196.417   160.466 4.5667  161.218 4.5486  -0.7522736     6.445515 
1 1 1 -4  -12 5  o 471.705 8.6669  29958.50  1094.90   30478.79  1548.66   29438.53  1548.19   475.821 12.151  467.589 12.361  8.232727       17.33379 
1 1 1 -4  -12 6  o 122.082 2.5810  1996.90   84.392    1965.91   119.036   2028.20   119.662   121.130 3.6689  123.034 3.6311  -1.904732      5.161989 
1 1 1 -4  -12 7  o 136.992 2.8092  2514.94   103.049   2436.79   145.354   2593.91   146.116   134.852 4.0242  139.133 3.9208  -4.281616      5.618470 
1 1 1 -4  -12 8  o 285.357 5.3438  10927.41  408.437   10961.61  577.350   10893.14  577.885   285.805 7.5419  284.909 7.5726  0.8963318      10.68761 
1 1 1 -4  -12 9  o 373.871 6.9097  18785.25  691.915   18599.55  978.102   18971.26  978.929   372.015 9.8160  375.726 9.7273  -3.710846      13.81932 
1 1 1 -4  -12 10 o 301.155 5.6462  12176.02  455.416   12331.44  644.004   12020.55  644.106   303.082 7.9330  299.227 8.0365  3.854309       11.29241 
1 1 1 -4  -12 11 o 255.992 4.8032  8792.59   329.341   8798.37   465.659   8786.80   465.857   256.077 6.7890  255.908 6.7964  0.1689758      9.606366 
1 1 1 -4  -12 12 o 388.481 7.1777  20301.93  746.866   20301.53  1056.23   20302.33  1056.22   388.477 10.151  388.485 10.151  -0.7690430E-02 14.35535 
1 1 1 -4  -12 13 f 85.983  2.0333  990.786   46.813    968.817   66.444    1012.44   65.967    85.036  2.9172  86.930  2.8331  -1.894447      4.066510 
1 1 1 -4  -12 14 o 163.359 3.2205  3577.86   140.911   3616.41   199.934   3539.81   198.630   164.234 4.5450  162.484 4.5640  1.749390       6.441039 
1 1 1 -4  -12 15 o 435.847 8.0869  25653.11  944.057   25478.50  1335.70   25827.40  1334.50   434.351 11.481  437.343 11.392  -2.992004      16.17389 
1 1 1 -4  -12 16 o 114.090 2.4913  1744.37   76.121    1782.70   108.632   1707.38   106.696   115.321 3.5169  112.858 3.5296  2.462967       4.982640 
1 1 1 -4  -12 17 f 85.282  2.1256  975.954   48.494    942.520   69.521    1007.64   67.679    83.855  3.0953  86.708  2.9141  -2.852661      4.251185 
1 1 1 -4  -12 18 o 179.202 3.5534  4312.90   170.529   4249.43   242.165   4375.34   240.177   177.888 5.0825  180.515 4.9674  -2.627090      7.106799 
1 1 1 -4  -12 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -12 20 o 299.126 5.6475  12088.79  452.476   12086.80  640.490   12090.77  639.307   299.099 7.9948  299.153 7.9786  -0.5444336E-01 11.29492 
1 1 1 -4  -12 21 o 308.147 5.8218  12849.24  480.514   12862.84  679.902   12835.66  679.198   308.310 8.2332  307.984 8.2334  0.3259583      11.64367 
1 1 1 -4  -12 22 o 154.329 3.1779  3200.53   131.365   3218.09   185.850   3183.00   185.706   154.753 4.4837  153.905 4.5049  0.8483429      6.355886 
1 1 1 -4  -12 23 o 139.138 2.9725  2601.02   110.776   2626.53   156.646   2575.50   156.676   139.822 4.1827  138.453 4.2249  1.369354       5.945100 
1 1 1 -4  -12 24 o 68.456  2.0401  628.693   37.403    637.032   52.722    620.244   53.070    68.914  2.8562  67.998  2.9138  0.9163437      4.080246 
1 1 1 -4  -12 25 o 148.862 3.1279  2979.43   124.712   2939.53   175.908   3019.76   176.834   147.857 4.4417  149.867 4.4053  -2.009094      6.255834 
1 1 1 -4  -12 26 o 216.502 4.2481  6325.11   246.327   6219.61   347.539   6431.61   349.184   214.678 6.0440  218.326 5.9712  -3.648102      8.496177 
1 1 1 -4  -12 27 o 209.294 4.1421  5911.65   232.193   5953.09   327.541   5869.79   329.206   210.041 5.8220  208.547 5.8935  1.494141       8.284284 
1 1 1 -4  -12 28 o 140.050 3.0335  2639.73   113.749   2702.13   160.059   2576.06   161.683   141.734 4.2162  138.366 4.3626  3.367233       6.067001 
1 1 1 -4  -12 29 o 121.390 2.7784  1982.67   90.308    2012.97   126.801   1951.49   128.650   122.339 3.8696  120.440 3.9879  1.898575       5.556762 
1 1 1 -4  -12 30 o 118.053 2.7549  1876.46   87.090    1888.36   122.050   1864.11   124.311   118.442 3.8472  117.664 3.9444  0.7783356      5.509858 
1 1 1 -4  -12 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -12 32 o 65.010  2.2588  571.735   39.119    605.834   54.317    534.985   56.387    67.095  3.0224  62.926  3.3577  4.168797       4.517630 
1 1 1 -4  -12 33 o 34.532  2.3044  161.218   20.943    140.385   28.492    185.705   30.889    32.082  3.3659  36.983  3.1483  -4.900600      4.608746 
1 1 1 -4  -12 34 o 67.608  2.2210  618.045   40.148    631.322   55.531    603.504   58.114    68.389  3.0315  66.827  3.2467  1.562134       4.441936 
1 1 1 -4  -12 35 o 94.047  2.4977  1201.40   62.854    1223.49   87.454    1177.80   90.398    94.975  3.4378  93.119  3.6243  1.855934       4.995440 
1 1 1 -4  -12 36 o 66.049  2.1355  597.144   37.338    542.263   55.054    643.888   50.809    63.105  3.2683  68.993  2.7494  -5.888325      4.270993 
1 1 1 -4  -12 37 o 15.312  2.8707  33.143    11.754    33.874    18.909    32.682    15.006    15.460  4.3714  15.163  3.7223  0.2975931      5.741475 
1 1 1 -4  -12 38 o 80.676  2.2674  885.951   48.850    911.188   72.331    864.786   66.238    81.684  3.3059  79.668  3.1041  2.015923       4.534806 
1 1 1 -4  -12 39 o 21.967  2.7805  72.248    14.996    54.779    24.181    83.166    19.116    19.410  4.7010  24.525  2.9707  -5.114910      5.560946 
1 1 1 -4  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -12 41 o 33.938  2.2902  156.016   20.082    180.711   32.929    141.393   25.340    35.942  3.4634  31.934  2.9976  4.007603       4.580427 
1 1 1 -4  -12 42 o 7.3151  2.3493  -11.5116  10.906    -39.9711  19.441    1.5569    13.174    6.4176  3.1637  8.2126  3.4739  -1.794999      4.698609 
1 1 1 -4  -12 43 o 25.470  2.7750  91.400    17.780    107.458   29.726    82.456    22.186    27.014  4.2486  23.927  3.5711  3.087246       5.550097 
1 1 1 -4  -12 44 o 18.048  3.2565  53.775    15.806    35.969    27.701    62.370    19.246    15.475  5.4168  20.622  3.6162  -5.146616      6.513011 
1 1 1 -4  -12 45 o 14.714  3.3963  32.425    14.660    36.349    26.050    30.607    17.735    15.283  5.2584  14.146  4.2999  1.137504       6.792589 
1 1 1 -4  -12 46 o 11.463  3.0961  15.516    14.431    -9.1884   26.283    26.179    17.267    9.7913  4.4771  13.134  4.2777  -3.343156      6.192192 
1 1 1 -4  -12 47 o 20.326  4.5132  77.524    28.772    97.493    38.922    53.468    42.721    23.339  6.1427  17.313  6.6140  6.025610       9.026462 
1 1 1 -4  -12 48 o 24.918  3.3168  90.151    20.332    143.601   36.480    66.064    24.489    29.763  4.7346  20.074  4.6464  9.689281       6.633688 
1 1 1 -4  -12 49 o 27.464  3.4786  132.044   22.637    114.357   39.368    140.781   27.668    24.501  6.0379  30.427  3.4563  -5.926054      6.957176 
1 1 1 -4  -11 1  f 312.227 5.8505  13084.78  489.250   13248.74  692.480   12921.37  691.329   314.184 8.2288  310.270 8.3187  3.913361       11.70100 
1 1 1 -4  -11 2  o 345.232 6.4315  16003.31  594.683   16219.39  841.464   15787.70  840.555   347.566 9.0388  342.898 9.1519  4.667572       12.86300 
1 1 1 -4  -11 3  o 116.030 2.5158  1803.75   78.182    1829.70   110.650   1777.88   110.482   116.863 3.5349  115.196 3.5807  1.667351       5.031611 
1 1 1 -4  -11 4  o 346.795 6.4140  16148.19  595.669   16520.23  842.620   15776.55  842.185   350.798 8.9678  342.792 9.1725  8.005707       12.82794 
1 1 1 -4  -11 5  o 57.227  1.7299  438.858   26.472    406.713   37.199    471.842   37.681    55.103  2.5204  59.352  2.3703  -4.248829      3.459830 
1 1 1 -4  -11 6  o 236.124 4.4269  7475.56   279.977   7413.49   395.573   7537.87   396.324   235.141 6.2807  237.107 6.2405  -1.966064      8.853870 
1 1 1 -4  -11 7  o 536.271 9.8675  38739.41  1417.33   38428.45  2003.88   39050.68  2004.93   534.106 14.007  538.437 13.902  -4.330322      19.73498 
1 1 1 -4  -11 8  o 484.620 8.9443  31605.24  1161.01   31632.06  1641.66   31578.40  1642.17   484.827 12.642  484.413 12.656  0.4141235      17.88856 
1 1 1 -4  -11 9  o 470.439 8.6352  29775.89  1088.07   29539.94  1538.38   30012.07  1539.13   468.566 12.258  472.311 12.166  -3.745850      17.27041 
1 1 1 -4  -11 10 o 550.507 10.148  40856.09  1496.09   41651.38  2116.31   40061.58  2115.28   555.897 14.213  545.117 14.487  10.78009       20.29537 
1 1 1 -4  -11 11 o 80.629  1.9916  870.900   43.007    886.329   60.923    855.573   60.719    81.341  2.7963  79.917  2.8366  1.424072       3.983127 
1 1 1 -4  -11 12 o 327.277 6.0609  14382.78  531.222   14680.38  751.786   14086.02  750.737   330.667 8.4882  323.888 8.6538  6.779053       12.12175 
1 1 1 -4  -11 13 o 31.968  1.8018  137.779   15.278    137.570   22.195    137.967   21.064    31.939  2.6174  31.997  2.4771  -0.5774117E-01 3.603676 
1 1 1 -4  -11 14 o 51.229  1.7442  351.278   23.917    359.033   34.594    344.177   33.102    51.770  2.4948  50.688  2.4382  1.082043       3.488351 
1 1 1 -4  -11 15 o 305.178 5.7536  12512.85  470.302   12504.11  666.041   12521.54  664.177   305.070 8.1510  305.286 8.1225  -0.2159424     11.50713 
1 1 1 -4  -11 16 o 443.618 8.2527  26565.97  980.514   26176.63  1387.40   26954.47  1385.91   440.343 11.763  446.893 11.578  -6.549957      16.50535 
1 1 1 -4  -11 17 o 244.801 4.6873  8052.05   307.281   7882.88   435.397   8219.93   433.730   242.230 6.7107  247.373 6.5460  -5.143234      9.374653 
1 1 1 -4  -11 18 f 158.856 3.2166  3385.56   136.861   3390.47   194.292   3380.73   192.819   158.969 4.5630  158.742 4.5349  0.2268219      6.433234 
1 1 1 -4  -11 19 o 126.267 2.7103  2138.48   91.661    2133.63   130.021   2143.28   129.239   126.123 3.8488  126.410 3.8170  -0.2862701     5.420610 
1 1 1 -4  -11 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -11 21 o 128.521 2.7689  2217.15   95.298    2163.04   134.675   2271.41   134.867   126.947 3.9607  130.094 3.8704  -3.147697      5.537844 
1 1 1 -4  -11 22 o 217.928 4.2274  6396.74   246.719   6252.03   348.551   6542.06   349.278   215.445 6.0401  220.411 5.9163  -4.966156      8.454852 
1 1 1 -4  -11 23 o 80.675  2.1511  873.426   46.462    897.263   65.399    849.134   66.018    81.789  2.9853  79.561  3.0980  2.228508       4.302236 
1 1 1 -4  -11 24 o 105.164 2.4677  1484.54   69.505    1488.56   97.730    1480.44   98.870    105.310 3.4647  105.019 3.5148  0.2910461      4.935447 
1 1 1 -4  -11 25 o 158.823 3.2889  3393.13   139.891   3442.08   197.167   3343.51   198.512   159.984 4.6012  157.662 4.7008  2.321762       6.577879 
1 1 1 -4  -11 26 o 89.096  2.3194  1067.26   55.249    1129.70   77.607    1003.09   78.670    91.750  3.1580  86.441  3.3978  5.308365       4.638741 
1 1 1 -4  -11 27 o 255.742 4.9410  8851.51   338.453   8759.87   477.411   8944.11   479.887   254.404 7.0061  257.080 6.9692  -2.675568      9.882088 
1 1 1 -4  -11 28 o 46.535  2.1197  292.516   26.210    305.000   36.318    278.947   37.863    47.591  2.8624  45.479  3.1273  2.111458       4.239488 
1 1 1 -4  -11 29 o 120.336 2.7474  1947.66   88.528    1970.42   124.127   1924.09   126.295   121.059 3.8281  119.613 3.9420  1.445923       5.494891 
1 1 1 -4  -11 30 o 89.251  2.3612  1070.15   56.429    1052.73   78.597    1088.68   81.066    88.504  3.3155  89.998  3.3629  -1.493874      4.722498 
1 1 1 -4  -11 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -11 32 o 87.208  2.4040  1023.46   56.124    993.709   77.843    1055.66   80.993    85.892  3.3836  88.524  3.4158  -2.631905      4.807969 
1 1 1 -4  -11 33 o 139.249 3.0914  2628.41   115.277   2626.28   161.395   2630.62   164.709   139.208 4.3285  139.290 4.4148  -0.8184814E-01 6.182715 
1 1 1 -4  -11 34 o 99.970  2.4714  1353.95   66.032    1311.07   95.659    1392.97   91.263    98.417  3.6288  101.522 3.3562  -3.105316      4.942875 
1 1 1 -4  -11 35 o 12.243  2.7102  20.221    10.810    4.3322    17.635    29.783    13.681    9.9529  4.0994  14.533  3.5461  -4.580050      5.420330 
1 1 1 -4  -11 36 o 78.380  2.2295  833.174   46.636    833.877   68.943    832.581   63.323    78.369  3.2844  78.392  3.0158  -0.2291107E-01 4.458958 
1 1 1 -4  -11 37 o 32.250  2.2104  143.905   18.468    135.443   28.568    149.981   24.206    31.336  3.4614  33.164  2.7499  -1.827726      4.420779 
1 1 1 -4  -11 38 o 23.272  2.4887  73.052    14.767    92.350    23.605    60.642    18.929    25.760  3.5127  20.784  3.5263  4.976179       4.977337 
1 1 1 -4  -11 39 o 12.604  2.9834  21.259    11.877    14.998    19.601    24.891    14.930    11.906  4.4963  13.303  3.9226  -1.396668      5.966855 
1 1 1 -4  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -11 41 o 18.964  3.1539  54.685    15.400    44.583    25.822    60.262    19.185    17.379  5.1673  20.550  3.6177  -3.171120      6.307836 
1 1 1 -4  -11 42 f 25.286  2.7547  88.544    17.516    106.454   29.403    78.691    21.808    27.097  4.1861  23.474  3.5819  3.622637       5.509383 
1 1 1 -4  -11 43 o 39.357  2.4306  223.104   24.372    204.181   39.102    235.125   31.168    37.626  3.9383  41.088  2.8497  -3.461769      4.861111 
1 1 1 -4  -11 44 o 33.956  2.5743  169.314   21.966    156.150   35.769    177.285   27.832    32.452  4.2145  35.461  2.9573  -3.008507      5.148565 
1 1 1 -4  -11 45 o 8.2572  2.6957  -12.5497  13.028    -2.5505   22.495    -17.5963  15.981    9.7349  4.3213  6.7795  3.2240  2.955323       5.391445 
1 1 1 -4  -11 46 o 10.238  3.0400  7.2141    13.896    -8.1192   26.325    13.137    16.361    9.8952  4.5075  10.582  4.0804  -0.6865005     6.080010 
1 1 1 -4  -11 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -11 48 o 13.403  3.5665  26.529    16.220    28.383    31.088    25.835    19.013    13.888  5.5429  12.919  4.4896  0.9690046      7.133060 
1 1 1 -4  -11 49 o 8.9135  2.8483  -1.8396   13.870    -20.8078  27.741    4.4827    16.016    8.9159  4.2422  8.9112  3.8020  0.4669189E-02  5.696601 
1 1 1 -4  -10 1  o 269.403 5.0645  9734.23   365.446   9676.50   517.176   9791.80   516.462   268.604 7.1885  270.202 7.1361  -1.598328      10.12907 
1 1 1 -4  -10 2  o 426.517 7.8133  24448.41  892.476   24949.30  1262.83   23948.61  1261.47   430.896 10.942  422.138 11.157  8.757874       15.62662 
1 1 1 -4  -10 3  o 611.490 11.221  50433.11  1837.62   51413.58  2599.54   49453.78  2598.03   617.472 15.718  605.509 16.019  11.96307       22.44228 
1 1 1 -4  -10 4  o 424.716 7.8036  24239.80  887.725   24344.87  1255.34   24134.70  1255.53   425.640 11.011  423.792 11.061  1.847656       15.60716 
1 1 1 -4  -10 5  o 262.455 4.9095  9237.87   345.112   9345.22   487.870   9130.35   488.255   263.984 6.8998  260.927 6.9862  3.056793       9.819064 
1 1 1 -4  -10 6  o 311.920 5.8094  13055.18  485.329   13214.48  686.183   12895.72  686.534   313.828 8.1632  310.012 8.2679  3.815704       11.61877 
1 1 1 -4  -10 7  o 416.438 7.6244  23301.61  850.418   23068.00  1202.19   23535.60  1203.16   414.343 10.832  418.534 10.733  -4.191010      15.24887 
1 1 1 -4  -10 8  o 186.417 3.5852  4657.44   179.010   4608.90   252.896   4706.19   253.420   185.443 5.0915  187.391 5.0490  -1.948212      7.170451 
1 1 1 -4  -10 9  o 133.858 2.7567  2401.14   98.809    2465.02   139.707   2337.20   139.768   135.640 3.8454  132.075 3.9509  3.565170       5.513314 
1 1 1 -4  -10 10 o 203.022 3.8985  5525.08   211.992   5472.39   299.770   5577.80   299.835   202.053 5.5390  203.991 5.4876  -1.938492      7.797081 
1 1 1 -4  -10 11 o 384.445 7.1491  19854.18  736.164   19930.86  1041.45   19777.60  1040.74   385.188 10.094  383.701 10.127  1.487488       14.29828 
1 1 1 -4  -10 12 o 321.831 6.0028  13902.32  517.452   13874.46  732.380   13930.08  731.195   321.508 8.5047  322.154 8.4739  -0.6463623     12.00564 
1 1 1 -4  -10 13 o 316.467 5.9030  13443.38  500.371   13474.13  708.445   13412.76  706.820   316.828 8.3482  316.106 8.3481  0.7223206      11.80606 
1 1 1 -4  -10 14 o 453.931 8.4254  27735.33  1024.38   27571.25  1449.50   27899.05  1447.89   452.582 11.957  455.281 11.873  -2.698608      16.85078 
1 1 1 -4  -10 15 o 279.038 5.2609  10450.57  393.192   10442.31  557.089   10458.76  555.032   278.927 7.4567  279.149 7.4232  -0.2223206     10.52171 
1 1 1 -4  -10 16 o 324.382 6.0680  14140.58  527.195   14004.85  746.339   14275.75  744.796   322.822 8.6315  325.943 8.5311  -3.120178      12.13600 
1 1 1 -4  -10 17 o 221.404 4.2797  6580.13   253.719   6399.96   359.239   6759.44   358.389   218.372 6.1418  224.435 5.9618  -6.062973      8.559464 
1 1 1 -4  -10 18 o 120.460 2.6208  1945.18   84.557    1969.20   119.827   1921.36   119.337   121.201 3.6911  119.719 3.7215  1.482208       5.241566 
1 1 1 -4  -10 19 o 162.298 3.2889  3534.41   142.973   3555.15   202.197   3513.66   202.191   162.776 4.6376  161.821 4.6648  0.9544067      6.577864 
1 1 1 -4  -10 20 o 209.995 4.1031  5927.31   230.786   5922.75   326.232   5931.87   326.528   209.914 5.8023  210.075 5.8031  -0.1614227     8.206191 
1 1 1 -4  -10 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -10 22 o 188.912 3.7528  4799.40   189.872   4714.42   267.899   4885.17   269.145   187.227 5.3421  190.598 5.2720  -3.370956      7.505518 
1 1 1 -4  -10 23 o 195.294 3.8665  5133.86   202.212   5236.20   285.374   5030.67   286.572   197.260 5.4011  193.327 5.5342  3.933151       7.732995 
1 1 1 -4  -10 24 o 152.104 3.1740  3110.34   129.278   3165.67   182.018   3054.03   183.648   153.476 4.4278  150.731 4.5488  2.745117       6.347943 
1 1 1 -4  -10 25 o 87.890  2.2692  1037.21   53.384    1062.12   74.766    1011.31   76.248    88.970  3.1374  86.809  3.2793  2.161713       4.538355 
1 1 1 -4  -10 26 o 68.369  2.1113  627.519   38.624    636.953   53.683    617.395   55.614    68.905  2.9087  67.833  3.0610  1.072380       4.222558 
1 1 1 -4  -10 27 o 116.464 2.6870  1821.33   83.798    1763.07   117.298   1882.06   119.756   114.560 3.8227  118.367 3.7773  -3.806915      5.374067 
1 1 1 -4  -10 28 o 56.467  2.0911  428.775   31.478    423.802   43.350    434.321   45.784    56.126  2.8934  56.809  3.0198  -0.6827316     4.182210 
1 1 1 -4  -10 29 o 27.444  2.5301  103.079   18.092    105.508   24.807    100.320   26.443    27.822  3.3997  27.066  3.7481  0.7554703      5.060209 
1 1 1 -4  -10 30 o 106.581 2.5917  1527.42   73.968    1522.21   103.352   1532.88   105.908   106.399 3.6265  106.762 3.7036  -0.3628616     5.183466 
1 1 1 -4  -10 31 f 79.094  2.3139  845.043   48.783    923.480   68.186    762.795   69.822    82.890  3.0712  75.298  3.4620  7.592400       4.627887 
1 1 1 -4  -10 32 o 40.134  3.1386  232.859   30.992    162.076   46.926    287.618   41.274    34.173  5.2983  46.096  3.3662  -11.92330      6.277219 
1 1 1 -4  -10 33 o 83.139  2.3203  940.308   51.191    835.335   74.670    1033.39   70.316    78.676  3.5434  87.603  2.9967  -8.926315      4.640671 
1 1 1 -4  -10 34 o 108.449 2.5633  1591.88   74.355    1580.14   107.812   1602.52   102.683   108.036 3.7257  108.862 3.5216  -0.8250198     5.126602 
1 1 1 -4  -10 35 o 61.199  2.1207  510.121   34.362    478.224   51.233    536.202   46.327    59.361  3.2344  63.038  2.7438  -3.677307      4.241446 
1 1 1 -4  -10 36 o 59.226  2.0973  477.499   32.911    459.648   49.349    491.799   44.169    58.135  3.1813  60.318  2.7339  -2.183376      4.194592 
1 1 1 -4  -10 37 o 64.493  2.1964  574.561   37.196    502.443   55.628    632.878   50.023    60.623  3.4400  68.362  2.7319  -7.738682      4.392845 
1 1 1 -4  -10 38 o 31.322  2.3669  140.965   18.441    113.705   29.329    158.785   23.714    28.509  3.9468  34.135  2.6135  -5.626774      4.733713 
1 1 1 -4  -10 39 o 51.078  2.1365  356.449   28.701    360.388   44.470    353.637   37.575    51.232  3.2576  50.923  2.7652  0.3086472      4.272943 
1 1 1 -4  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -10 41 o 58.508  2.2170  469.891   34.188    491.299   53.117    454.750   44.672    59.519  3.3455  57.497  2.9101  2.021812       4.434073 
1 1 1 -4  -10 42 o 38.545  2.4738  217.864   23.822    173.159   37.648    247.715   30.764    34.720  4.1293  42.370  2.7253  -7.650013      4.947562 
1 1 1 -4  -10 43 o 27.868  2.6609  107.422   18.839    132.598   31.362    93.210    23.564    30.245  3.9671  25.491  3.5474  4.753880       5.321846 
1 1 1 -4  -10 44 o 18.985  3.1745  50.231    15.536    77.736    26.668    36.101    19.114    22.569  4.5682  15.401  4.4092  7.168401       6.348978 
1 1 1 -4  -10 45 f 29.762  2.7364  128.239   20.205    140.843   34.943    121.909   24.764    30.430  4.4162  29.094  3.2325  1.336462       5.472842 
1 1 1 -4  -10 46 o 13.363  3.3724  21.912    14.530    41.189    26.251    13.398    17.446    15.935  5.2786  10.790  4.1987  5.145422       6.744842 
1 1 1 -4  -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -10 48 o 14.227  3.6732  27.667    16.766    49.135    31.808    19.408    19.730    16.604  5.8049  11.850  4.5025  4.753189       7.346356 
1 1 1 -4  -10 49 o 20.429  3.5444  82.468    19.985    46.908    36.307    97.926    23.937    15.698  6.0713  25.160  3.6593  -9.462418      7.088833 
1 1 1 -4  -9  1  o 340.429 6.3239  15555.82  576.590   15792.03  815.967   15320.24  814.877   343.016 8.8812  337.843 9.0051  5.173096       12.64779 
1 1 1 -4  -9  2  o 697.777 12.840  65813.31  2399.64   66775.73  3394.50   64851.91  3392.70   702.922 18.029  692.632 18.288  10.29004       25.68052 
1 1 1 -4  -9  3  o 248.896 4.6704  8307.94   311.284   8088.12   439.957   8528.29   440.487   245.595 6.6881  252.197 6.5208  -6.602066      9.340879 
1 1 1 -4  -9  4  o 352.711 6.5426  16701.99  618.068   16509.93  873.702   16894.38  874.459   350.677 9.3018  354.745 9.2031  -4.068726      13.08513 
1 1 1 -4  -9  5  o 202.472 3.8775  5495.62   210.252   5605.49   297.173   5385.51   297.509   204.500 5.4253  200.444 5.5414  4.056488       7.755076 
1 1 1 -4  -9  6  o 293.019 5.4738  11519.09  429.579   11663.12  607.363   11374.91  607.670   294.855 7.6904  291.183 7.7914  3.672394       10.94750 
1 1 1 -4  -9  7  o 653.513 11.978  57668.86  2096.66   57366.26  2964.65   57971.64  2965.60   651.784 16.982  655.241 16.898  -3.456726      23.95630 
1 1 1 -4  -9  8  o 277.674 5.1607  10341.75  383.816   10278.13  542.625   10405.44  542.970   276.818 7.3184  278.529 7.2781  -1.711487      10.32131 
1 1 1 -4  -9  9  o 130.633 2.6796  2286.43   93.753    2256.73   132.557   2316.15   132.617   129.784 3.8132  131.482 3.7657  -1.698181      5.359200 
1 1 1 -4  -9  10 o 168.424 3.2915  3801.60   148.459   3893.65   210.291   3710.15   209.617   170.458 4.6059  166.391 4.7034  4.067261       6.582994 
1 1 1 -4  -9  11 o 153.497 3.0808  3157.08   126.661   3173.93   179.735   3140.45   178.523   153.904 4.3601  153.091 4.3537  0.8137512      6.161556 
1 1 1 -4  -9  12 o 424.837 7.8828  24259.39  896.999   24250.85  1269.30   24267.90  1267.80   424.761 11.157  424.913 11.139  -0.1517334     15.76561 
1 1 1 -4  -9  13 o 294.845 5.5040  11663.84  434.666   11667.04  615.679   11660.67  613.747   294.884 7.7950  294.806 7.7726  0.7897949E-01  11.00791 
1 1 1 -4  -9  14 o 239.970 4.5460  7722.72   292.180   7659.18   414.086   7785.73   412.328   238.985 6.4689  240.955 6.3888  -1.970123      9.091930 
1 1 1 -4  -9  15 o 212.644 4.1162  6063.45   234.423   5984.53   332.198   6141.73   330.853   211.264 5.8706  214.025 5.7714  -2.760895      8.232460 
1 1 1 -4  -9  16 o 367.116 6.8257  18115.69  671.178   18128.00  949.538   18103.40  948.840   367.241 9.6532  366.991 9.6527  0.2491760      13.65134 
1 1 1 -4  -9  17 o 52.369  1.8076  367.842   25.303    380.704   35.959    355.227   35.612    53.309  2.5183  51.428  2.5936  1.880447       3.615105 
1 1 1 -4  -9  18 f 287.091 5.4234  11077.05  416.995   10874.81  589.353   11279.80  590.088   284.458 7.7352  289.723 7.6040  -5.265503      10.84685 
1 1 1 -4  -9  19 o 281.883 5.3430  10687.53  403.350   10468.97  569.887   10906.91  570.959   278.983 7.6264  284.782 7.4852  -5.798157      10.68602 
1 1 1 -4  -9  20 o 357.498 6.6939  17262.61  640.965   17113.88  905.799   17411.77  907.124   355.944 9.5008  359.051 9.4324  -3.106415      13.38788 
1 1 1 -4  -9  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -9  22 o 329.078 6.2082  14658.57  547.172   14442.84  772.772   14875.47  774.868   326.629 8.8330  331.528 8.7261  -4.898773      12.41637 
1 1 1 -4  -9  23 o 72.770  2.0625  711.193   40.142    743.070   56.188    677.962   57.369    74.441  2.8180  71.099  3.0125  3.342384       4.125066 
1 1 1 -4  -9  24 o 205.253 4.0589  5675.39   223.099   5780.62   314.687   5569.06   316.338   207.180 5.6708  203.326 5.8086  3.854416       8.117712 
1 1 1 -4  -9  25 o 132.908 2.8851  2372.69   102.698   2327.15   144.249   2419.50   146.245   131.613 4.0919  134.202 4.0685  -2.588699      5.770283 
1 1 1 -4  -9  26 o 52.598  2.0064  371.911   28.144    365.227   38.977    379.192   40.681    52.106  2.8031  53.090  2.8715  -0.9840355     4.012800 
1 1 1 -4  -9  27 o 140.005 3.0413  2634.94   114.042   2612.25   160.097   2658.32   162.489   139.394 4.2879  140.615 4.3142  -1.220444      6.082681 
1 1 1 -4  -9  28 o 91.072  2.3805  1114.22   58.030    1135.38   81.096    1092.01   83.074    91.964  3.2923  90.181  3.4392  1.783302       4.761032 
1 1 1 -4  -9  29 o 169.836 3.5238  3888.13   160.245   3970.28   225.519   3804.35   227.737   171.665 4.9047  168.007 5.0608  3.657822       7.047531 
1 1 1 -4  -9  30 o 80.135  2.1699  860.588   46.511    896.323   67.987    829.150   63.768    81.693  3.1071  78.578  3.0298  3.115303       4.339770 
1 1 1 -4  -9  31 o 65.811  2.1009  586.620   36.670    541.925   54.040    624.763   49.922    63.414  3.1918  68.207  2.7326  -4.793613      4.201737 
1 1 1 -4  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -9  33 o 40.676  2.0338  222.405   21.838    234.104   33.388    213.657   28.871    41.590  3.0177  39.762  2.7273  1.827744       4.067533 
1 1 1 -4  -9  34 o 87.512  2.2755  1027.23   53.098    1174.93   78.314    901.553   72.238    93.315  3.1333  81.708  3.3007  11.60718       4.551089 
1 1 1 -4  -9  35 o 56.864  2.0332  435.424   30.748    453.462   46.261    421.148   41.154    57.859  2.9953  55.870  2.7501  1.988728       4.066306 
1 1 1 -4  -9  36 o 127.656 2.9056  2229.50   99.190    2194.61   143.741   2261.22   137.050   126.619 4.2383  128.693 3.9759  -2.074486      5.811271 
1 1 1 -4  -9  37 o 50.386  2.1010  347.270   27.849    334.561   42.549    356.795   36.835    49.500  3.2268  51.272  2.6916  -1.772060      4.201978 
1 1 1 -4  -9  38 o 57.789  2.1591  456.872   32.921    443.116   50.224    467.236   43.593    56.898  3.3098  58.680  2.7736  -1.782059      4.318273 
1 1 1 -4  -9  39 o 29.058  2.3507  111.840   17.544    144.760   28.696    92.188    22.171    32.351  3.3607  25.765  3.2877  6.586300       4.701362 
1 1 1 -4  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -9  41 f 23.274  2.7881  76.754    16.239    80.952    26.783    74.313    20.421    23.606  4.3978  22.941  3.4285  0.6647205      5.576272 
1 1 1 -4  -9  42 o 11.863  2.8185  16.949    12.877    -15.3461  22.642    32.390    15.656    8.8430  4.0840  14.883  3.8855  -6.040421      5.637022 
1 1 1 -4  -9  43 o 23.590  3.0901  88.104    17.812    63.472    29.010    103.008   22.566    20.198  5.2970  26.983  3.1837  -6.784851      6.180102 
1 1 1 -4  -9  44 o 26.212  2.8045  96.653    18.432    120.107   31.360    84.275    22.783    28.390  4.2551  24.033  3.6543  4.357187       5.608907 
1 1 1 -4  -9  45 o 14.930  3.3160  35.658    15.191    22.335    25.999    42.564    18.719    13.229  5.1318  16.630  4.2009  -3.401460      6.631975 
1 1 1 -4  -9  46 o 25.496  3.0295  87.012    18.813    152.596   33.975    58.013    22.592    31.791  4.0845  19.202  4.4754  12.58887       6.059038 
1 1 1 -4  -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -9  48 o 14.645  3.6157  30.184    16.386    53.168    30.248    20.636    19.495    17.262  5.6638  12.028  4.4961  5.233738       7.231385 
1 1 1 -4  -9  49 o 21.443  3.6453  74.881    19.350    101.661   35.643    63.690    23.041    23.379  5.7352  19.508  4.5011  3.870935       7.290612 
1 1 1 -4  -8  1  o 363.924 6.7442  17788.72  657.087   18442.78  930.093   17136.99  928.432   370.621 9.3693  357.227 9.7033  13.39426       13.48840 
1 1 1 -4  -8  2  o 374.838 6.9213  18870.49  694.863   19088.01  982.933   18653.19  982.437   377.003 9.7340  372.673 9.8421  4.330383       13.84259 
1 1 1 -4  -8  3  o 597.208 10.933  48107.06  1748.66   48792.43  2473.33   47422.08  2472.62   601.491 15.352  592.925 15.569  8.565552       21.86513 
1 1 1 -4  -8  4  o 385.371 7.1201  19950.71  734.877   20249.17  1039.22   19652.20  1039.32   388.263 9.9930  382.479 10.145  5.783600       14.24010 
1 1 1 -4  -8  5  o 123.287 2.5580  2036.45   84.469    2045.71   119.213   2027.10   119.702   123.569 3.6019  123.005 3.6332  0.5637436      5.116004 
1 1 1 -4  -8  6  o 783.540 14.402  83282.85  3020.31   87078.24  4274.00   79496.83  4268.73   801.597 19.906  765.484 20.820  36.11237       28.80480 
1 1 1 -4  -8  7  o 295.534 5.4678  11719.34  432.737   11434.99  611.593   12004.42  612.371   291.938 7.8214  299.131 7.6430  -7.192871      10.93570 
1 1 1 -4  -8  8  o 189.770 3.6391  4826.92   184.966   4771.06   261.529   4882.83   261.634   188.671 5.1752  190.870 5.1176  -2.198975      7.278220 
1 1 1 -4  -8  9  o 408.149 7.5323  22384.62  823.437   22503.72  1164.85   22265.65  1164.19   409.238 10.627  407.061 10.678  2.176971       15.06456 
1 1 1 -4  -8  10 o 390.796 7.1949  20516.92  752.981   20986.75  1065.84   20048.79  1063.91   395.276 10.067  386.317 10.282  8.958557       14.38971 
1 1 1 -4  -8  11 o 255.114 4.8082  8727.81   328.554   8767.84   465.467   8688.07   463.829   255.697 6.7963  254.531 6.8034  1.166107       9.616465 
1 1 1 -4  -8  12 o 84.104  2.0615  947.016   46.425    979.291   66.489    916.310   64.853    85.501  2.9033  82.706  2.9275  2.795265       4.123030 
1 1 1 -4  -8  13 o 535.714 9.8852  38661.10  1418.03   37612.38  2005.44   39709.75  2005.36   528.406 14.169  543.023 13.787  -14.61694      19.77037 
1 1 1 -4  -8  14 o 194.981 3.8076  5096.10   198.844   5058.57   281.678   5133.38   280.740   194.264 5.4134  195.697 5.3559  -1.433151      7.615153 
1 1 1 -4  -8  15 o 327.025 6.0985  14356.81  534.186   14391.44  755.646   14322.22  755.261   327.420 8.6164  326.630 8.6328  0.7898254      12.19700 
1 1 1 -4  -8  16 o 323.566 6.0432  14057.76  523.729   13937.23  740.412   14178.45  740.916   322.175 8.5801  324.958 8.5124  -2.782806      12.08634 
1 1 1 -4  -8  17 o 130.298 2.7738  2275.18   96.804    2281.33   136.653   2268.99   137.151   130.475 3.9102  130.122 3.9351  0.3539429      5.547537 
1 1 1 -4  -8  18 o 113.180 2.5311  1716.93   76.720    1742.06   108.120   1691.44   108.881   114.015 3.5404  112.345 3.6183  1.670013       5.062279 
1 1 1 -4  -8  19 o 194.771 3.8366  5090.25   200.140   5008.18   282.327   5173.15   283.758   193.191 5.4560  196.351 5.3954  -3.160446      7.673264 
1 1 1 -4  -8  20 o 137.241 2.9111  2526.26   107.004   2540.61   150.628   2511.64   152.035   137.636 4.0859  136.846 4.1479  0.7898254      5.822291 
1 1 1 -4  -8  21 o 149.833 3.1179  3012.67   125.115   2949.59   176.131   3076.91   177.760   148.248 4.4357  151.417 4.3830  -3.169495      6.235830 
1 1 1 -4  -8  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -8  23 o 115.818 2.6212  1800.09   81.244    1701.18   114.052   1901.99   115.761   112.583 3.7822  119.053 3.6302  -6.469734      5.242441 
1 1 1 -4  -8  24 o 160.008 3.2970  3441.29   141.300   3425.15   198.988   3457.70   200.680   159.631 4.6539  160.385 4.6714  -0.7543182     6.594053 
1 1 1 -4  -8  25 o 179.379 3.6203  4330.28   173.932   4353.31   245.108   4306.91   246.855   179.865 5.0877  178.893 5.1518  0.9719238      7.240576 
1 1 1 -4  -8  26 o 132.557 2.9021  2361.10   103.031   2364.32   144.831   2357.81   146.601   132.652 4.0762  132.463 4.1319  0.1887054      5.804184 
1 1 1 -4  -8  27 o 62.816  2.1272  531.046   35.656    550.833   49.528    509.757   51.372    64.078  2.8857  61.554  3.1262  2.523544       4.254427 
1 1 1 -4  -8  28 o 161.452 3.2837  3508.15   141.577   3873.93   202.600   3159.05   197.923   169.709 4.4570  153.195 4.8235  16.51341       6.567453 
1 1 1 -4  -8  29 f 80.255  2.1948  866.047   47.055    842.479   68.540    887.058   64.716    79.213  3.2304  81.298  2.9720  -2.084648      4.389550 
1 1 1 -4  -8  30 o 83.726  2.2322  941.841   49.965    936.043   72.801    947.004   68.700    83.475  3.2561  83.978  3.0542  -0.5027084     4.464350 
1 1 1 -4  -8  31 o 91.266  2.3661  1124.70   57.583    1052.33   83.674    1189.80   79.366    88.445  3.5321  94.088  3.1493  -5.642982      4.732187 
1 1 1 -4  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -8  33 o 47.259  2.0354  298.868   25.495    327.603   38.674    276.782   33.906    49.247  2.9454  45.270  2.8101  3.976643       4.070896 
1 1 1 -4  -8  34 o 40.944  2.1693  234.645   22.788    187.928   34.575    270.523   30.299    37.124  3.5192  44.764  2.5375  -7.639896      4.338598 
1 1 1 -4  -8  35 o 32.033  2.2083  134.816   17.880    199.569   28.154    91.045    23.148    38.363  2.7584  25.703  3.4494  12.66023       4.416631 
1 1 1 -4  -8  36 o 65.721  2.1258  584.711   37.189    586.287   55.803    583.452   49.880    65.761  3.1681  65.681  2.8353  0.7961273E-01  4.251585 
1 1 1 -4  -8  37 o 34.025  2.3009  165.676   19.632    129.648   30.597    190.888   25.596    30.564  3.8210  37.487  2.5646  -6.922777      4.601847 
1 1 1 -4  -8  38 o 55.517  2.1320  421.164   31.258    410.920   47.590    428.937   41.454    54.805  3.2566  56.230  2.7524  -1.424816      4.263916 
1 1 1 -4  -8  39 o 42.767  2.1384  243.549   23.985    299.926   37.858    205.749   31.000    46.799  3.0366  38.734  3.0116  8.065296       4.276759 
1 1 1 -4  -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -8  41 o 21.721  2.9875  72.413    16.065    53.747    26.183    83.683    20.345    18.991  5.0572  24.450  3.1819  -5.458857      5.974907 
1 1 1 -4  -8  42 o 69.569  2.3849  679.830   43.597    648.474   67.068    702.773   57.371    67.845  3.7047  71.292  3.0044  -3.447479      4.769860 
1 1 1 -4  -8  43 f 12.675  2.6929  20.875    13.057    -18.0268  21.973    42.111    16.234    8.4072  3.9302  16.943  3.6825  -8.535348      5.385796 
1 1 1 -4  -8  44 o 26.351  3.0239  106.789   19.470    92.803    32.039    114.978   24.516    24.369  5.0734  28.332  3.2920  -3.962633      6.047889 
1 1 1 -4  -8  45 o 21.805  3.1561  67.302    17.045    96.766    30.150    53.461    20.665    24.956  4.6826  18.654  4.2329  6.301697       6.312229 
1 1 1 -4  -8  46 o 15.287  3.2288  21.560    15.206    75.029    28.920    1.1296    17.877    21.459  5.1056  9.1156  3.9540  12.34352       6.457652 
1 1 1 -4  -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -8  48 o 34.563  2.9837  186.891   25.129    183.766   43.320    188.476   30.849    33.374  5.0001  35.753  3.2571  -2.379189      5.967391 
1 1 1 -4  -8  49 o 19.472  3.7763  64.096    18.945    85.815    35.010    55.103    22.528    21.013  5.9506  17.931  4.6510  3.081266       7.552643 
1 1 1 -4  -7  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  3  f 103.946 3.2381  1448.79   90.095    1392.25   127.713   1504.79   127.116   101.925 4.6780  105.968 4.4786  -4.042473      6.476236 
1 1 1 -4  -7  4  o 239.147 6.4200  7687.58   410.562   7185.29   580.790   8189.30   580.456   231.310 9.3742  246.985 8.7743  -15.67453      12.83993 
1 1 1 -4  -7  5  o 202.377 5.4903  5499.15   297.358   5254.27   421.404   5742.01   419.657   197.877 7.9509  206.877 7.5734  -8.999481      10.98058 
1 1 1 -4  -7  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  9  o 303.513 5.6523  12361.24  459.506   12381.40  650.445   12341.16  649.235   303.760 7.9945  303.266 7.9926  0.4938049      11.30458 
1 1 1 -4  -7  10 f 387.831 7.1522  20206.15  742.961   20162.07  1051.46   20250.10  1049.95   387.406 10.133  388.255 10.096  -0.8491211     14.30430 
1 1 1 -4  -7  11 o 136.697 2.8195  2503.64   103.228   2510.33   146.740   2497.09   145.243   136.878 4.0025  136.517 3.9721  0.3607635      5.638918 
1 1 1 -4  -7  12 o 380.452 7.0689  19447.70  720.002   18756.13  1018.36   20138.92  1018.11   373.667 10.175  387.237 9.8159  -13.56992      14.13786 
1 1 1 -4  -7  13 o 144.859 2.9719  2811.69   115.309   2822.44   163.352   2801.01   162.792   145.135 4.2021  144.583 4.2037  0.5520782      5.943752 
1 1 1 -4  -7  14 o 130.850 2.7747  2294.06   97.246    2297.26   137.480   2290.85   137.575   130.941 3.9199  130.759 3.9281  0.1827393      5.549339 
1 1 1 -4  -7  15 o 585.269 10.789  46201.34  1691.26   46031.52  2391.40   46371.29  2392.21   584.186 15.283  586.352 15.232  -2.166016      21.57738 
1 1 1 -4  -7  16 o 420.598 7.7450  23786.09  872.507   23587.77  1233.31   23984.79  1234.51   418.836 10.994  422.359 10.913  -3.522614      15.49006 
1 1 1 -4  -7  17 o 246.125 4.7063  8126.32   310.259   8118.76   438.183   8133.92   439.363   246.010 6.6499  246.239 6.6616  -0.2288055     9.412615 
1 1 1 -4  -7  18 o 88.751  2.2076  1055.56   52.464    1067.75   73.653    1043.00   74.751    89.271  3.0803  88.230  3.1631  1.041725       4.415102 
1 1 1 -4  -7  19 o 181.557 3.6157  4421.31   175.811   4328.38   247.892   4515.37   249.384   179.636 5.1521  183.479 5.0745  -3.843323      7.231468 
1 1 1 -4  -7  20 o 125.767 2.7406  2120.78   92.319    2119.12   129.984   2122.47   131.142   125.718 3.8601  125.816 3.8915  -0.9812927E-01 5.481293 
1 1 1 -4  -7  21 o 133.799 2.8783  2401.78   103.143   2419.96   145.264   2383.29   146.477   134.312 4.0379  133.287 4.1029  1.024857       5.756587 
1 1 1 -4  -7  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  23 o 244.540 4.7201  8061.75   309.152   8122.58   436.481   8000.52   437.936   245.475 6.6385  243.606 6.7117  1.868927       9.440176 
1 1 1 -4  -7  24 o 103.057 2.4656  1425.27   68.051    1427.18   95.557    1423.32   96.934    103.129 3.4593  102.986 3.5141  0.1427917      4.931108 
1 1 1 -4  -7  25 o 100.812 2.4645  1364.35   66.531    1380.52   93.462    1347.74   94.729    101.420 3.4405  100.203 3.5295  1.216980       4.928905 
1 1 1 -4  -7  26 o 60.781  1.9532  493.141   31.577    569.482   46.487    427.739   43.028    65.164  2.6634  56.397  2.8577  8.766941       3.906439 
1 1 1 -4  -7  27 o 39.019  2.0254  202.633   20.705    256.405   31.130    159.977   27.727    43.642  2.6761  34.396  3.0409  9.246040       4.050730 
1 1 1 -4  -7  28 o 262.478 5.1374  9340.56   360.790   8887.22   511.922   9787.97   508.564   256.062 7.4640  268.894 7.0612  -12.83203      10.27476 
1 1 1 -4  -7  29 o 65.258  2.0438  570.422   35.649    586.952   52.437    556.217   48.611    66.132  2.9603  64.384  2.8188  1.748360       4.087681 
1 1 1 -4  -7  30 o 89.314  2.2945  1070.46   54.830    1092.98   79.759    1050.28   75.499    90.199  3.3013  88.429  3.1876  1.770088       4.589046 
1 1 1 -4  -7  31 o 106.127 2.5619  1517.90   72.671    1471.61   105.279   1560.04   100.438   104.560 3.7591  107.695 3.4819  -3.134331      5.123895 
1 1 1 -4  -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  33 o 130.175 2.8584  2287.71   99.587    2404.30   144.021   2180.89   137.857   133.352 4.0322  126.999 4.0526  6.352776       5.716842 
1 1 1 -4  -7  34 o 125.687 2.8301  2139.14   95.203    2199.96   137.960   2083.85   131.545   127.375 4.0437  123.999 3.9607  3.375847       5.660246 
1 1 1 -4  -7  35 o 10.338  2.7375  9.8299    10.203    16.196    15.997    5.4644    13.247    11.645  4.1132  9.0308  3.6135  2.614696       5.474991 
1 1 1 -4  -7  36 o 26.351  2.3785  97.580    15.811    87.728    25.042    104.110   20.389    25.092  3.8490  27.611  2.7954  -2.519678      4.757006 
1 1 1 -4  -7  37 o 46.476  2.0983  292.677   25.679    304.039   39.768    284.552   33.629    47.195  3.1642  45.756  2.7568  1.438862       4.196684 
1 1 1 -4  -7  38 f 13.642  2.7107  26.177    12.337    -1.5802   19.741    43.964    15.802    9.6382  4.1679  17.646  3.4671  -8.007497      5.421455 
1 1 1 -4  -7  39 o 87.308  2.4374  1044.53   56.682    1054.04   84.886    1036.88   76.144    87.561  3.6194  87.055  3.2656  0.5062256      4.874808 
1 1 1 -4  -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  41 o 42.149  2.3083  247.265   25.251    244.397   40.026    249.161   32.545    41.776  3.6126  42.522  2.8744  -0.7466202     4.616611 
1 1 1 -4  -7  42 o 38.095  2.4423  205.320   23.696    199.868   38.782    208.568   29.933    37.419  3.9280  38.771  2.9035  -1.351707      4.884626 
1 1 1 -4  -7  43 f 13.892  3.2761  26.623    13.732    32.225    23.541    23.733    16.906    14.870  5.0003  12.913  4.2342  1.956832       6.552171 
1 1 1 -4  -7  44 o 28.180  2.8108  105.873   19.293    180.756   32.915    66.683    23.812    35.426  3.5153  20.935  4.3869  14.49086       5.621581 
1 1 1 -4  -7  45 o 31.010  2.6352  133.518   20.651    172.529   35.594    113.725   25.354    34.077  3.9743  27.943  3.4617  6.134838       5.270492 
1 1 1 -4  -7  46 o 8.3869  2.6669  -25.6812  12.047    16.495    22.767    -42.0818  14.197    11.969  4.7540  4.8052  2.4187  7.163434       5.333869 
1 1 1 -4  -7  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -7  48 o 19.867  3.6744  66.806    18.603    71.399    34.618    64.941    22.060    19.544  6.0198  20.191  4.2152  -0.6464882     7.348864 
1 1 1 -4  -7  49 o 30.508  3.4582  162.476   24.457    145.539   43.421    170.346   29.599    27.524  6.0542  33.492  3.3442  -5.967226      6.916426 
1 1 1 -4  -6  1  o 543.121 10.001  39759.74  1454.73   40512.26  2058.07   39008.35  2056.53   548.289 14.014  537.954 14.273  10.33539       20.00242 
1 1 1 -4  -6  2  o 390.557 7.1906  20496.52  752.202   20579.73  1063.73   20413.29  1063.82   391.353 10.148  389.762 10.190  1.591125       14.38114 
1 1 1 -4  -6  3  o 151.594 2.9997  3079.50   121.793   3034.03   171.967   3125.25   172.517   150.470 4.2668  152.717 4.2175  -2.246399      5.999427 
1 1 1 -4  -6  4  o 137.947 2.7873  2549.84   102.986   2565.18   145.442   2534.41   145.847   138.363 3.9245  137.530 3.9592  0.8329620      5.574668 
1 1 1 -4  -6  5  f 273.939 5.1021  10067.22  374.348   9972.36   529.126   10162.29  529.690   272.645 7.2456  275.233 7.1851  -2.587952      10.20411 
1 1 1 -4  -6  6  o 156.133 3.0942  3267.58   129.343   3154.85   182.791   3380.63   183.047   153.434 4.4478  158.833 4.3026  -5.398621      6.188335 
1 1 1 -4  -6  7  o 378.251 7.0163  19221.90  710.820   19042.07  1005.30   19401.68  1005.20   376.476 9.9694  380.026 9.8753  -3.549622      14.03250 
1 1 1 -4  -6  8  o 205.425 3.9157  5657.33   215.410   5806.65   305.358   5509.40   303.919   208.126 5.4777  202.724 5.5971  5.401337       7.831488 
1 1 1 -4  -6  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -6  10 o 317.391 8.3883  13550.29  713.102   13476.94  1009.42   13623.36  1007.54   316.529 11.906  318.254 11.819  -1.724884      16.77665 
1 1 1 -4  -6  11 o 535.547 9.8676  38639.22  1415.45   38415.97  2001.96   38862.37  2001.53   533.991 13.997  537.104 13.913  -3.112671      19.73522 
1 1 1 -4  -6  12 o 663.576 12.238  59526.17  2173.41   56728.48  3071.55   62331.60  3075.79   647.817 17.702  679.334 16.904  -31.51648      24.47632 
1 1 1 -4  -6  13 f 137.222 2.8520  2523.15   104.799   2455.51   147.914   2591.33   148.503   135.374 4.0793  139.069 3.9867  -3.695114      5.703904 
1 1 1 -4  -6  14 o 260.227 4.9224  9082.45   343.043   8877.14   484.526   9288.80   485.748   257.274 7.0312  263.179 6.8908  -5.905151      9.844873 
1 1 1 -4  -6  15 o 34.600  1.8310  161.794   16.785    173.064   23.412    149.876   24.075    35.861  2.4521  33.339  2.7198  2.522442       3.662019 
1 1 1 -4  -6  16 o 371.351 6.9056  18525.09  686.843   18718.65  970.939   18331.20  971.747   373.299 9.7106  369.403 9.8212  3.896301       13.81128 
1 1 1 -4  -6  17 o 470.658 8.6948  29826.79  1096.09   29648.96  1549.42   30004.94  1550.80   469.247 12.328  472.068 12.265  -2.821564      17.38955 
1 1 1 -4  -6  18 o 317.085 5.9384  13505.58  504.325   13331.32  712.564   13680.48  713.883   315.030 8.4447  319.139 8.3514  -4.109344      11.87679 
1 1 1 -4  -6  19 o 171.153 3.4570  3928.13   158.469   3867.30   223.511   3989.62   224.712   169.819 4.9139  172.486 4.8639  -2.667099      6.913998 
1 1 1 -4  -6  20 o 159.855 3.2806  3427.80   140.458   3448.73   198.111   3406.65   199.168   160.348 4.6127  159.363 4.6660  0.9841614      6.561140 
1 1 1 -4  -6  21 o 39.657  1.8611  212.046   19.621    221.519   27.403    202.078   28.109    40.579  2.5339  38.735  2.7267  1.843784       3.722250 
1 1 1 -4  -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -6  23 o 119.263 2.6731  1911.90   85.252    1811.86   121.671   2008.39   119.488   116.185 3.9097  122.342 3.6464  -6.156693      5.346210 
1 1 1 -4  -6  24 o 123.027 2.6824  2030.60   88.330    2139.43   126.468   1926.94   123.424   126.247 3.7400  119.806 3.8462  6.441246       5.364762 
1 1 1 -4  -6  25 f 58.710  1.9476  464.127   30.452    445.320   44.522    480.658   41.742    57.548  2.8977  59.872  2.6029  -2.323814      3.895108 
1 1 1 -4  -6  26 f 261.611 5.0952  9269.09   356.480   8715.67   505.538   9816.43   502.752   253.749 7.4381  269.473 6.9655  -15.72337      10.19032 
1 1 1 -4  -6  27 o 31.610  2.4237  135.798   17.730    232.725   27.292    65.021    23.322    41.588  2.4610  21.633  4.1762  19.95533       4.847427 
1 1 1 -4  -6  28 o 88.591  2.2948  1052.34   54.396    1076.93   79.117    1030.30   74.909    89.569  3.2978  87.614  3.1920  1.954079       4.589640 
1 1 1 -4  -6  29 o 97.502  2.3807  1273.16   62.019    1406.43   90.096    1153.14   85.501    102.344 3.2867  92.659  3.4451  9.684937       4.761356 
1 1 1 -4  -6  30 o 140.024 2.9837  2636.10   111.768   2825.30   160.856   2459.50   155.413   144.888 4.1449  135.159 4.2929  9.728775       5.967352 
1 1 1 -4  -6  31 o 30.373  2.1797  123.973   17.315    133.936   26.790    116.825   22.692    31.400  3.2315  29.345  2.9260  2.055386       4.359330 
1 1 1 -4  -6  32 o 112.925 3.6922  1724.54   111.497   1816.14   163.467   1644.85   152.469   115.707 5.2745  110.143 5.1681  5.563499       7.384454 
1 1 1 -4  -6  33 o 99.750  2.5212  1348.12   67.051    1268.77   97.742    1418.65   92.153    96.923  3.7650  102.577 3.3540  -5.654305      5.042325 
1 1 1 -4  -6  34 o 25.914  2.6679  102.393   16.230    57.736    24.866    135.540   21.423    20.197  4.6869  31.632  2.5502  -11.43490      5.335797 
1 1 1 -4  -6  35 o 12.130  2.8488  19.250    10.671    15.114    17.969    21.504    13.262    11.767  4.3322  12.494  3.7005  -0.7270975     5.697519 
1 1 1 -4  -6  36 o 10.821  2.7507  10.064    10.509    23.626    16.883    1.4873    13.427    13.246  4.2221  8.3974  3.5270  4.848077       5.501466 
1 1 1 -4  -6  37 o 67.043  2.1814  609.618   38.862    618.231   58.940    602.995   51.689    67.404  3.2647  66.681  2.8940  0.7228470      4.362719 
1 1 1 -4  -6  38 o 31.598  2.4537  144.501   19.173    113.223   30.393    165.178   24.711    28.392  4.1167  34.805  2.6711  -6.413036      4.907323 
1 1 1 -4  -6  39 o 41.761  2.2872  243.701   24.615    222.217   38.770    258.209   31.859    40.033  3.6560  43.489  2.7492  -3.455460      4.574364 
1 1 1 -4  -6  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -6  41 o 18.130  3.0486  42.094    14.470    74.777    25.177    25.973    17.682    22.675  4.3028  13.585  4.3198  9.089870       6.097126 
1 1 1 -4  -6  42 o 46.349  2.4520  309.240   28.924    272.424   46.289    332.821   37.046    43.655  4.0033  49.043  2.8322  -5.387226      4.903902 
1 1 1 -4  -6  43 o 18.246  3.2331  43.503    15.331    77.186    27.661    28.568    18.419    22.537  4.7329  13.956  4.4059  8.581176       6.466248 
1 1 1 -4  -6  44 o 22.987  2.9674  65.731    17.155    150.259   30.874    27.979    20.633    32.166  3.6480  13.809  4.6811  18.35756       5.934702 
1 1 1 -4  -6  45 o 13.241  3.4532  23.114    14.907    28.934    28.259    20.870    17.547    14.290  5.3983  12.191  4.3076  2.099075       6.906313 
1 1 1 -4  -6  46 o 25.311  3.2260  94.621    19.789    116.387   35.820    85.059    23.741    26.834  5.1712  23.788  3.8583  3.045748       6.451941 
1 1 1 -4  -6  47 o 15.234  3.5900  39.180    17.431    23.670    32.734    45.319    20.594    13.669  5.6024  16.798  4.4907  -3.128245      7.180039 
1 1 1 -4  -6  48 o 11.283  3.3979  3.1212    15.857    33.219    32.264    -6.4644   18.208    14.374  5.6751  8.1932  3.7386  6.180424       6.795861 
1 1 1 -4  -5  1  o 170.066 3.3610  3876.45   153.102   3867.65   216.626   3885.23   216.411   169.873 4.7610  170.259 4.7455  -0.3861542     6.722094 
1 1 1 -4  -5  2  o 158.877 3.1508  3382.93   134.079   3404.48   189.438   3361.30   189.794   159.385 4.4374  158.370 4.4743  1.014999       6.301578 
1 1 1 -4  -5  3  o 141.107 2.8304  2668.26   106.968   2696.95   151.084   2639.42   151.469   141.869 3.9760  140.346 4.0293  1.522446       5.660734 
1 1 1 -4  -5  4  o 75.053  1.8199  754.549   36.584    752.368   51.574    756.758   51.904    74.944  2.5692  75.162  2.5782  -0.2182770     3.639790 
1 1 1 -4  -5  5  o 401.437 7.3946  21664.44  795.073   21847.95  1124.48   21480.99  1124.32   403.143 10.414  399.730 10.501  3.412537       14.78913 
1 1 1 -4  -5  6  o 267.564 4.9934  9604.12   357.860   9636.05   506.255   9572.22   505.926   268.009 7.0523  267.119 7.0712  0.8902893      9.986832 
1 1 1 -4  -5  7  o 180.922 3.5277  4387.37   170.947   4385.10   242.354   4389.61   241.162   180.875 5.0024  180.969 4.9753  -0.9384155E-01 7.055337 
1 1 1 -4  -5  8  o 306.900 5.7241  12640.96  470.524   12747.39  666.209   12535.03  664.637   308.191 8.0705  305.609 8.1195  2.581818       11.44811 
1 1 1 -4  -5  9  o 408.289 7.5452  22407.15  825.117   22622.19  1167.61   22192.63  1166.18   410.252 10.626  406.326 10.715  3.926178       15.09043 
1 1 1 -4  -5  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -5  11 o 375.682 6.9821  18958.94  702.576   18969.70  993.347   18948.16  993.839   375.790 9.8689  375.575 9.8794  0.2146301      13.96412 
1 1 1 -4  -5  12 o 249.582 4.7194  8353.63   315.479   8253.16   445.668   8454.55   446.642   248.076 6.7071  251.088 6.6412  -3.011841      9.438800 
1 1 1 -4  -5  13 o 180.042 3.5713  4344.96   172.163   4200.80   242.899   4490.50   244.055   177.038 5.1224  183.045 4.9778  -6.006714      7.142651 
1 1 1 -4  -5  14 o 106.163 2.4097  1509.84   68.511    1473.41   96.493    1546.88   97.289    104.872 3.4352  107.455 3.3803  -2.583359      4.819406 
1 1 1 -4  -5  15 o 218.078 4.2147  6375.92   246.174   6284.68   347.669   6467.66   348.619   216.512 5.9951  219.644 5.9257  -3.132019      8.429422 
1 1 1 -4  -5  16 o 381.537 7.0812  19561.87  723.278   18814.65  1021.87   20312.01  1023.87   374.212 10.195  388.862 9.8301  -14.64981      14.16230 
1 1 1 -4  -5  17 o 357.074 6.6539  17128.34  636.347   16874.31  899.259   17383.13  900.604   354.415 9.4729  359.733 9.3468  -5.318512      13.30788 
1 1 1 -4  -5  18 o 463.688 8.5770  28968.03  1065.19   28627.82  1505.61   29308.97  1507.21   460.947 12.195  466.428 12.064  -5.481415      17.15398 
1 1 1 -4  -5  19 o 173.682 3.4979  4045.00   162.719   4000.58   229.515   4089.90   230.730   172.723 4.9610  174.642 4.9325  -1.918915      6.995794 
1 1 1 -4  -5  20 o 88.252  2.2333  1043.53   52.780    1014.24   74.058    1073.75   75.241    86.993  3.1783  89.510  3.1383  -2.516502      4.466602 
1 1 1 -4  -5  21 o 245.405 4.7179  8101.08   310.048   7939.88   439.524   8260.76   437.433   242.962 6.7539  247.849 6.5892  -4.886688      9.435752 
1 1 1 -4  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -5  23 o 182.499 3.6458  4478.56   178.175   4412.46   253.397   4543.20   250.582   181.157 5.2222  183.840 5.0889  -2.682404      7.291651 
1 1 1 -4  -5  24 o 77.456  2.0877  804.640   43.271    804.155   62.561    805.084   59.912    77.431  3.0165  77.481  2.8869  -0.4958344E-01 4.175315 
1 1 1 -4  -5  25 o 159.346 3.2988  3415.92   140.708   3323.61   200.660   3505.22   197.363   157.214 4.7652  161.479 4.5631  -4.265274      6.597668 
1 1 1 -4  -5  26 o 119.813 2.6792  1929.05   85.907    1892.38   123.314   1963.62   119.745   118.698 3.8787  120.928 3.6969  -2.229546      5.358300 
1 1 1 -4  -5  27 o 200.528 3.9855  5418.84   214.020   5577.76   304.960   5264.62   300.430   203.433 5.5967  197.622 5.6757  5.810760       7.970979 
1 1 1 -4  -5  28 f 88.213  2.2663  1042.56   53.490    1085.18   77.875    1004.49   73.599    89.915  3.2335  86.511  3.1762  3.403923       4.532556 
1 1 1 -4  -5  29 o 184.752 3.7722  4610.25   186.360   4363.47   265.789   4848.89   261.371   179.836 5.5179  189.667 5.1449  -9.830917      7.544324 
1 1 1 -4  -5  30 o 154.973 3.1736  3238.56   130.590   3815.82   188.185   2702.36   181.368   168.368 4.1729  141.577 4.7828  26.79120       6.347266 
1 1 1 -4  -5  31 f 108.833 2.6276  1600.43   76.297    1497.43   110.438   1694.49   105.531   105.440 3.9104  112.225 3.5107  -6.785408      5.255174 
1 1 1 -4  -5  32 o 90.894  2.4831  1127.36   59.659    963.989   86.992    1272.43   81.973    84.543  3.8416  97.244  3.1472  -12.70039      4.966132 
1 1 1 -4  -5  33 o 15.593  2.8904  31.791    12.095    45.794    19.837    23.506    15.259    18.039  4.1864  13.147  3.9866  4.891438       5.780890 
1 1 1 -4  -5  34 o 32.393  2.1757  145.247   18.178    129.916   28.018    156.392   23.888    30.810  3.4546  33.975  2.6459  -3.164955      4.351448 
1 1 1 -4  -5  35 o 10.436  2.6600  11.406    10.287    -1.9322   16.602    19.718    13.105    8.8277  3.8198  12.045  3.7029  -3.217232      5.319989 
1 1 1 -4  -5  36 f 20.567  2.7662  64.374    14.060    41.777    22.456    78.944    18.031    17.146  4.7340  23.987  2.8630  -6.840734      5.532393 
1 1 1 -4  -5  37 o 48.559  2.1325  321.153   27.212    322.755   42.156    320.009   35.629    48.593  3.2577  48.525  2.7526  0.6790924E-01  4.264912 
1 1 1 -4  -5  38 o 48.744  2.1791  327.026   27.758    312.488   43.112    337.321   36.278    47.703  3.3963  49.785  2.7310  -2.082123      4.358150 
1 1 1 -4  -5  39 o 40.764  2.2300  227.748   23.721    232.445   37.370    224.579   30.698    41.019  3.4329  40.509  2.8474  0.5102463      4.460082 
1 1 1 -4  -5  40 o 17.191  3.1294  41.077    14.048    51.719    23.680    35.298    17.450    18.767  4.7164  15.615  4.1144  3.151946       6.258796 
1 1 1 -4  -5  41 o 29.287  2.5551  119.532   19.001    127.842   31.335    114.700   23.895    29.919  4.0112  28.656  3.1661  1.262825       5.110177 
1 1 1 -4  -5  42 o 65.870  2.3653  600.005   41.094    650.384   64.477    565.542   53.329    67.955  3.5547  63.784  3.1215  4.171291       4.730695 
1 1 1 -4  -5  43 o 10.195  3.0030  3.7167    12.433    15.043    23.438    -0.7191   14.667    12.154  4.8249  8.2349  3.5768  3.919606       6.006056 
1 1 1 -4  -5  44 o 11.186  3.0624  -3.8427   13.244    38.899    26.134    -18.6125  15.363    15.831  5.2679  6.5410  3.1245  9.290071       6.124860 
1 1 1 -4  -5  45 o 29.758  3.0026  133.698   21.736    133.920   37.609    133.586   26.635    29.139  4.9987  30.378  3.3280  -1.238878      6.005195 
1 1 1 -4  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -5  47 o 7.5179  2.4781  -19.6347  13.724    -85.6663  28.224    0.8128    15.706    6.5250  3.2988  8.5108  3.6990  -1.985753      4.956269 
1 1 1 -4  -5  48 o 11.251  3.2713  13.509    16.578    -13.5791  32.127    23.339    19.354    10.144  4.7454  12.358  4.5042  -2.214191      6.542672 
1 1 1 -4  -4  1  o 243.333 4.6172  7943.05   300.896   8092.28   425.661   7794.00   425.403   245.621 6.4701  241.045 6.5889  4.576263       9.234481 
1 1 1 -4  -4  2  o 60.547  1.6504  491.021   26.760    477.196   37.664    505.114   38.027    59.686  2.3560  61.407  2.3120  -1.721359      3.300863 
1 1 1 -4  -4  3  f 508.991 9.3500  34928.43  1274.53   34251.46  1801.71   35606.54  1803.21   504.023 13.346  513.960 13.099  -9.936615      18.69992 
1 1 1 -4  -4  4  f 366.986 6.7993  18099.57  668.345   18043.11  945.045   18156.06  945.320   366.411 9.6293  367.560 9.6020  -1.148712      13.59859 
1 1 1 -4  -4  5  f 277.233 5.1880  10316.58  385.075   9960.98   544.438   10672.54  544.719   272.442 7.4608  282.024 7.2110  -9.582153      10.37606 
1 1 1 -4  -4  6  o 102.849 2.2632  1417.16   62.342    1417.02   88.734    1417.31   87.606    102.843 3.2213  102.855 3.1800  -0.1120758E-01 4.526447 
1 1 1 -4  -4  7  o 94.022  2.1560  1184.08   54.277    1228.59   77.315    1140.83   76.216    95.765  3.0142  92.280  3.0836  3.484535       4.312016 
1 1 1 -4  -4  8  o 14.719  1.6463  29.888    6.2319    25.857    8.8388    33.873    8.7878    13.679  2.5047  15.758  2.1371  -2.079330      3.292556 
1 1 1 -4  -4  9  o 103.318 2.3221  1430.08   64.259    1419.69   90.733    1440.54   91.019    102.942 3.2907  103.695 3.2771  -0.7530746     4.644127 
1 1 1 -4  -4  10 o 330.718 6.1785  14683.86  547.302   14707.96  773.657   14659.71  774.347   330.991 8.7266  330.445 8.7488  0.5454407      12.35694 
1 1 1 -4  -4  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -4  12 o 158.240 3.2111  3355.55   136.098   3336.08   192.138   3375.16   192.807   157.780 4.5465  158.701 4.5358  -0.9217987     6.422115 
1 1 1 -4  -4  13 o 195.702 3.8510  5134.58   201.793   4968.31   284.912   5301.93   285.845   192.520 5.5252  198.885 5.3659  -6.363998      7.701959 
1 1 1 -4  -4  14 o 99.234  2.3245  1319.14   61.781    1304.65   87.025    1333.87   87.723    98.684  3.2924  99.784  3.2822  -1.099174      4.648918 
1 1 1 -4  -4  15 o 82.979  2.1321  922.453   47.383    928.326   66.710    916.474   67.313    83.246  2.9918  82.713  3.0383  0.5334091      4.264114 
1 1 1 -4  -4  16 o 171.775 3.4640  3955.84   159.252   3762.71   224.564   4151.23   225.875   167.554 5.0038  175.997 4.7915  -8.443405      6.927945 
1 1 1 -4  -4  17 o 458.194 8.4732  28253.72  1039.88   28207.28  1470.07   28300.24  1471.15   457.816 11.988  458.572 11.977  -0.7558289     16.94633 
1 1 1 -4  -4  18 o 106.518 2.4500  1521.72   69.831    1464.26   99.600    1577.27   97.932    104.537 3.5571  108.498 3.3699  -3.961830      4.899929 
1 1 1 -4  -4  19 o 202.884 3.9515  5521.82   214.719   5492.38   304.734   5550.85   302.596   202.345 5.6226  203.423 5.5536  -1.078308      7.902938 
1 1 1 -4  -4  20 o 31.572  1.9283  139.474   15.427    98.906    22.437    175.852   21.246    26.982  3.1647  36.163  2.2040  -9.181286      3.856546 
1 1 1 -4  -4  21 o 270.103 5.1342  9819.72   371.440   9837.74   526.689   9801.90   523.914   270.347 7.2735  269.859 7.2483  0.4881897      10.26847 
1 1 1 -4  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -4  23 o 370.896 6.9209  18680.56  687.482   19012.09  974.177   18351.65  970.326   374.210 9.7193  367.582 9.8554  6.627502       13.84172 
1 1 1 -4  -4  24 o 87.734  2.2810  1038.68   53.279    930.758   76.620    1139.72   74.137    83.285  3.4347  92.182  3.0026  -8.897102      4.562088 
1 1 1 -4  -4  25 o 158.041 3.2628  3360.01   138.025   3271.91   197.004   3444.95   193.439   155.991 4.7150  160.090 4.5112  -4.098938      6.525513 
1 1 1 -4  -4  26 o 78.324  2.1268  819.562   44.313    963.011   64.858    693.974   60.686    84.731  2.8578  71.916  3.1505  12.81522       4.253529 
1 1 1 -4  -4  27 o 75.122  2.1765  757.599   43.692    751.524   63.877    762.940   59.894    74.833  3.1868  75.410  2.9653  -0.5766373     4.353025 
1 1 1 -4  -4  28 o 139.546 2.9924  2616.65   111.810   2671.46   160.734   2565.27   155.635   140.957 4.2573  138.134 4.2065  2.823486       5.984882 
1 1 1 -4  -4  29 o 98.655  2.4127  1303.96   63.673    1391.77   92.646    1225.35   87.655    101.796 3.3979  95.514  3.4263  6.282066       4.825428 
1 1 1 -4  -4  30 o 113.744 2.7187  1751.05   82.319    1582.75   118.991   1905.53   114.001   108.436 4.0969  119.053 3.5750  -10.61636      5.437388 
1 1 1 -4  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -4  32 o 20.536  2.8977  59.429    15.108    56.028    23.804    61.723    19.549    19.959  4.5533  21.113  3.5852  -1.153461      5.795390 
1 1 1 -4  -4  33 o 27.373  2.2476  99.886    15.952    118.009   25.213    87.789    20.599    29.407  3.2556  25.339  3.0997  4.068499       4.495234 
1 1 1 -4  -4  34 o 88.982  2.3477  1066.01   55.807    1129.70   82.657    1012.65   75.654    91.401  3.3763  86.564  3.2629  4.837128       4.695320 
1 1 1 -4  -4  35 o 54.117  2.0422  387.105   29.063    497.461   44.789    306.847   38.196    60.696  2.7550  47.538  3.0154  13.15741       4.084437 
1 1 1 -4  -4  36 o 18.747  2.7548  47.728    13.100    59.841    21.462    40.535    16.538    20.577  4.0382  16.918  3.7483  3.658539       5.509682 
1 1 1 -4  -4  37 o 64.290  2.1630  553.690   36.892    637.996   56.612    491.459   48.639    68.510  3.0851  60.071  3.0327  8.438164       4.326075 
1 1 1 -4  -4  38 o 18.693  2.9583  47.494    13.993    60.983    23.694    40.272    17.339    20.605  4.4254  16.781  3.9272  3.823666       5.916648 
1 1 1 -4  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -4  40 o 26.030  2.7100  94.890    17.628    100.342   29.502    91.863    21.985    26.426  4.3170  25.633  3.2771  0.7932720      5.419955 
1 1 1 -4  -4  41 o 55.335  2.3078  422.411   33.487    444.640   52.866    407.515   43.276    56.379  3.5183  54.290  2.9875  2.089039       4.615622 
1 1 1 -4  -4  42 o 39.450  2.4145  214.960   24.533    239.585   40.572    200.766   30.802    41.007  3.7348  37.893  3.0610  3.114193       4.828954 
1 1 1 -4  -4  43 o 11.268  2.8747  13.785    13.270    -20.2906  24.285    28.289    15.844    8.7327  4.0980  13.803  4.0326  -5.070211      5.749443 
1 1 1 -4  -4  44 o 40.139  2.5674  234.175   26.029    231.864   43.440    235.469   32.511    39.498  4.1691  40.781  2.9973  -1.283058      5.134706 
1 1 1 -4  -4  45 o 15.514  3.5479  36.023    15.947    45.257    28.322    31.737    19.296    16.675  5.4810  14.352  4.5066  2.323586       7.095820 
1 1 1 -4  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -4  47 o 14.593  3.6753  29.783    16.609    50.183    31.681    22.051    19.504    16.865  5.7991  12.320  4.5168  4.544764       7.350612 
1 1 1 -4  -4  48 o 11.340  3.3967  12.979    16.241    13.502    32.073    12.799    18.835    12.116  5.2759  10.563  4.2796  1.553037       6.793407 
1 1 1 -4  -3  1  o 66.035  1.7692  584.309   31.281    600.283   44.163    568.226   44.315    66.942  2.4631  65.129  2.5403  1.812439       3.538322 
1 1 1 -4  -3  2  o 441.563 8.1405  26261.59  962.231   27305.73  1361.38   25219.24  1360.22   450.383 11.285  432.743 11.735  17.63940       16.28096 
1 1 1 -4  -3  3  o 489.101 8.9808  32245.83  1176.52   32424.57  1663.83   32067.08  1663.87   490.466 12.665  487.737 12.736  2.728851       17.96164 
1 1 1 -4  -3  4  o 668.299 12.351  60541.44  2210.90   60439.49  3126.79   60643.38  3126.57   667.729 17.483  668.869 17.452  -1.139648      24.70245 
1 1 1 -4  -3  5  o 372.957 6.9116  18698.88  690.384   18430.27  976.763   18967.04  975.937   370.269 9.8488  375.644 9.6997  -5.374542      13.82324 
1 1 1 -4  -3  6  o 309.451 5.7694  12856.87  478.203   12879.22  676.767   12834.58  675.796   309.719 8.1580  309.182 8.1604  0.5373230      11.53884 
1 1 1 -4  -3  7  o 176.414 3.4814  4171.67   164.506   4160.47   232.588   4182.88   232.704   176.177 4.9289  176.651 4.9181  -0.4741974     6.962881 
1 1 1 -4  -3  8  o 380.958 7.0262  19504.45  716.876   19165.99  1013.24   19843.67  1014.39   377.638 10.017  384.278 9.8553  -6.639862      14.05247 
1 1 1 -4  -3  9  o 49.641  1.6979  330.190   22.568    337.463   31.764    322.777   32.070    50.193  2.3627  49.088  2.4391  1.104614       3.395805 
1 1 1 -4  -3  10 o 28.397  1.6083  108.702   12.130    107.781   17.070    109.643   17.241    28.275  2.2732  28.520  2.2759  -0.2444000     3.216693 
1 1 1 -4  -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -3  12 o 345.433 6.4265  16021.91  594.549   15750.54  840.291   16293.96  841.347   342.497 9.1598  348.369 9.0167  -5.872223      12.85309 
1 1 1 -4  -3  13 o 219.329 4.2476  6449.78   249.514   6529.83   352.572   6369.47   353.160   220.694 5.9644  217.964 6.0492  2.730026       8.495125 
1 1 1 -4  -3  14 o 152.860 3.1401  3131.63   128.544   3193.46   181.469   3069.35   182.110   154.376 4.3887  151.344 4.4924  3.031433       6.280298 
1 1 1 -4  -3  15 o 312.527 5.8123  13111.85  486.158   13750.94  688.859   12477.66  686.211   320.131 8.0336  304.923 8.4019  15.20825       11.62461 
1 1 1 -4  -3  16 o 603.603 11.081  49172.24  1790.94   47655.39  2532.54   50689.66  2533.01   594.219 15.912  612.986 15.428  -18.76697      22.16295 
1 1 1 -4  -3  17 o 205.186 3.9663  5655.63   217.049   6303.82   308.639   5021.42   305.295   216.852 5.3137  193.520 5.8898  23.33148       7.932580 
1 1 1 -4  -3  18 f 147.625 3.1931  2938.18   125.278   2529.38   177.843   3340.85   176.504   137.363 4.8337  157.886 4.1737  -20.52298      6.386245 
1 1 1 -4  -3  19 o 267.795 5.0620  9630.83   363.080   9602.25   514.699   9659.14   512.256   267.397 7.1863  268.193 7.1310  -0.7966614     10.12396 
1 1 1 -4  -3  20 f 173.771 3.5181  4054.56   163.610   3890.88   232.526   4215.06   230.249   170.287 5.0980  177.255 4.8497  -6.968033      7.036262 
1 1 1 -4  -3  21 o 222.919 4.3114  6679.16   257.402   6803.48   365.525   6556.86   362.538   224.980 6.0657  220.857 6.1285  4.123749       8.622730 
1 1 1 -4  -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -3  23 f 158.907 3.2718  3394.46   139.176   3303.98   198.346   3482.22   195.336   156.809 4.7224  161.005 4.5296  -4.195450      6.543546 
1 1 1 -4  -3  24 f 61.599  1.9623  510.285   32.261    487.783   47.016    530.306   44.348    60.308  2.9106  62.890  2.6327  -2.581863      3.924630 
1 1 1 -4  -3  25 o 227.068 4.4253  6954.09   269.132   6990.58   382.673   6918.37   378.580   227.653 6.2758  226.483 6.2407  1.169800       8.850507 
1 1 1 -4  -3  26 o 138.689 2.9425  2582.26   109.230   2721.93   156.925   2450.99   152.135   142.329 4.1163  135.050 4.2058  7.279190       5.884947 
1 1 1 -4  -3  27 o 261.299 4.9584  9240.45   346.336   9989.61   493.051   8510.77   486.599   271.847 6.7714  250.751 7.2450  21.09543       9.916760 
1 1 1 -4  -3  28 o 27.943  2.2807  104.107   16.561    127.080   25.443    87.220    21.814    30.610  3.1481  25.277  3.3009  5.333223       4.561414 
1 1 1 -4  -3  29 o 43.606  2.0491  257.604   23.523    247.227   35.649    265.607   31.306    42.798  3.1316  44.416  2.6434  -1.617989      4.098154 
1 1 1 -4  -3  30 o 137.311 3.0547  2547.98   111.995   2384.29   161.191   2700.75   155.720   132.995 4.5250  141.627 4.1049  -8.632492      6.109500 
1 1 1 -4  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -3  32 o 58.033  2.1273  456.431   32.657    434.002   49.073    474.260   43.752    56.677  3.2461  59.389  2.7504  -2.712257      4.254610 
1 1 1 -4  -3  33 o 74.578  2.2576  756.115   44.665    696.451   66.272    805.769   60.458    71.818  3.4452  77.338  2.9186  -5.520393      4.515221 
1 1 1 -4  -3  34 o 55.077  2.0473  400.179   29.660    513.603   45.768    318.054   38.944    61.713  2.7688  48.442  3.0164  13.27151       4.094527 
1 1 1 -4  -3  35 o 34.451  2.1642  159.675   19.421    173.496   30.933    150.684   24.951    35.628  3.2783  33.274  2.8263  2.354031       4.328442 
1 1 1 -4  -3  36 o 40.246  2.1035  216.221   22.233    249.997   34.994    193.359   28.790    42.818  3.0716  37.674  2.8747  5.143803       4.206979 
1 1 1 -4  -3  37 o 12.421  2.9803  18.064    11.623    27.692    19.233    12.525    14.588    14.220  4.5036  10.623  3.9046  3.596961       5.960567 
1 1 1 -4  -3  38 o 35.758  2.3497  179.369   21.428    163.033   34.202    189.924   27.493    34.230  3.7943  37.286  2.7727  -3.056217      4.699372 
1 1 1 -4  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -3  40 o 59.159  2.2851  480.109   35.507    505.101   55.875    463.181   45.987    60.299  3.4742  58.018  2.9692  2.281403       4.570144 
1 1 1 -4  -3  41 o 19.150  3.3224  54.346    16.234    55.390    28.154    53.826    19.871    19.093  5.3115  19.206  3.9928  -0.1128845     6.644888 
1 1 1 -4  -3  42 o 18.670  3.2076  47.641    15.186    70.786    27.076    37.019    18.343    21.592  4.8055  15.749  4.2500  5.843336       6.415245 
1 1 1 -4  -3  43 o 22.345  3.1228  66.938    17.260    109.922   30.911    47.465    20.805    27.061  4.4170  17.628  4.4157  9.432926       6.245653 
1 1 1 -4  -3  44 o 33.070  2.6447  145.441   21.866    223.469   38.184    107.368   26.672    39.159  3.6838  26.982  3.7956  12.17729       5.289317 
1 1 1 -4  -3  45 o 9.5879  2.8645  -21.9206  12.064    30.324    25.534    -36.9343  13.688    14.284  5.1785  4.8915  2.4503  9.392967       5.728950 
1 1 1 -4  -3  46 o 23.566  3.4566  82.010    20.090    116.417   35.899    66.321    24.242    26.682  5.2101  20.449  4.5439  6.233084       6.913181 
1 1 1 -4  -3  47 o 9.6439  3.0154  1.9362    14.291    -7.5008   27.812    5.3218    16.658    10.013  4.5883  9.2750  3.9138  0.7376766      6.030776 
1 1 1 -4  -2  1  o 423.465 7.8118  24141.95  885.911   24636.79  1252.98   23647.29  1252.75   427.827 10.934  419.103 11.160  8.723511       15.62364 
1 1 1 -4  -2  2  o 562.416 10.328  42744.28  1555.76   42696.76  2199.89   42791.82  2200.48   562.101 14.612  562.731 14.599  -0.6296997     20.65510 
1 1 1 -4  -2  3  o 538.314 9.9176  39170.11  1427.44   41910.33  2021.02   36442.39  2016.41   557.270 13.540  519.357 14.495  37.91254       19.83528 
1 1 1 -4  -2  4  o 513.492 9.4547  35574.53  1300.34   35915.29  1839.85   35234.43  1838.06   515.966 13.313  511.019 13.429  4.946686       18.90935 
1 1 1 -4  -2  5  f 217.422 4.1522  6340.15   241.784   6238.30   341.980   6441.96   341.887   215.673 5.9199  219.171 5.8239  -3.497116      8.304385 
1 1 1 -4  -2  6  o 124.781 2.6493  2086.37   88.541    2052.02   124.920   2121.05   125.514   123.749 3.7688  125.814 3.7246  -2.065086      5.298677 
1 1 1 -4  -2  7  o 194.269 3.7956  5059.79   197.504   5043.68   279.108   5075.96   279.517   193.959 5.3725  194.579 5.3632  -0.6200409     7.591261 
1 1 1 -4  -2  8  o 155.454 3.1472  3238.80   131.040   3265.20   185.126   3212.29   185.512   156.090 4.4280  154.819 4.4736  1.270966       6.294447 
1 1 1 -4  -2  9  o 262.087 4.9543  9214.52   347.783   9143.15   491.537   9286.06   492.143   261.069 7.0293  263.105 6.9835  -2.035217      9.908595 
1 1 1 -4  -2  10 o 218.206 4.2053  6384.34   245.755   6258.35   347.180   6510.86   347.920   216.046 5.9996  220.366 5.8945  -4.319870      8.410670 
1 1 1 -4  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -2  12 o 117.296 2.5690  1843.59   80.700    1822.51   114.726   1864.24   113.536   116.631 3.6725  117.960 3.5934  -1.328926      5.138072 
1 1 1 -4  -2  13 o 247.388 4.6833  8221.64   309.282   9038.61   438.841   7415.39   435.954   259.635 6.3104  235.140 6.9219  24.49480       9.366606 
1 1 1 -4  -2  14 o 144.948 2.9759  2817.14   115.279   3058.23   164.098   2582.22   161.981   151.078 4.0552  138.818 4.3564  12.25981       5.951705 
1 1 1 -4  -2  15 o 71.017  1.9905  676.906   37.790    641.179   54.122    710.896   52.789    69.184  2.9206  72.850  2.7054  -3.665535      3.981085 
1 1 1 -4  -2  16 o 280.462 5.4225  10588.12  405.342   9381.17   573.296   11794.60  573.186   264.399 8.0953  296.526 7.2168  -32.12720      10.84505 
1 1 1 -4  -2  17 o 354.055 6.6754  16857.40  632.095   15797.82  894.162   17915.81  893.672   342.888 9.7359  365.222 9.1355  -22.33450      13.35082 
1 1 1 -4  -2  18 o 198.043 3.9041  5262.50   206.957   5067.46   293.659   5454.96   291.713   194.390 5.6400  201.696 5.3997  -7.306595      7.808110 
1 1 1 -4  -2  19 o 126.410 2.8102  2151.40   94.651    1915.84   134.777   2380.64   132.956   119.545 4.2091  133.274 3.7246  -13.72929      5.620431 
1 1 1 -4  -2  20 o 60.248  1.8867  486.265   30.419    489.318   44.018    483.474   42.086    60.428  2.7196  60.068  2.6158  0.3606110      3.773392 
1 1 1 -4  -2  21 o 248.401 4.7526  8302.34   316.200   8385.15   448.757   8220.70   445.608   249.632 6.7115  247.169 6.7309  2.463348       9.505211 
1 1 1 -4  -2  22 f 166.008 4.7121  3709.72   209.221   3993.40   300.003   3441.12   291.928   172.205 6.5042  159.811 6.8199  12.39435       9.424212 
1 1 1 -4  -2  23 f 59.521  1.9561  478.949   30.899    434.975   45.024    518.097   42.482    56.875  2.9658  62.167  2.5512  -5.291821      3.912135 
1 1 1 -4  -2  24 o 115.256 2.6295  1785.91   81.046    1716.65   116.422   1851.03   112.893   113.075 3.8440  117.436 3.5890  -4.361259      5.259010 
1 1 1 -4  -2  25 o 60.144  1.9848  486.266   31.856    470.501   46.663    500.026   43.594    59.225  2.9416  61.064  2.6654  -1.838734      3.969533 
1 1 1 -4  -2  26 o 143.912 3.0192  2780.94   116.221   2990.12   166.971   2584.34   161.871   149.167 4.1791  138.656 4.3586  10.51132       6.038334 
1 1 1 -4  -2  27 o 114.684 2.6728  1768.66   81.975    1723.09   118.353   1810.68   113.650   113.252 3.9016  116.117 3.6541  -2.865211      5.345599 
1 1 1 -4  -2  28 f 155.934 3.2951  3276.91   137.437   3152.29   196.986   3395.10   191.846   153.017 4.8063  158.851 4.5090  -5.834000      6.590219 
1 1 1 -4  -2  29 o 28.232  2.3126  111.015   16.660    93.993    25.305    124.038   22.133    26.186  3.7118  30.277  2.7596  -4.091047      4.625214 
1 1 1 -4  -2  30 o 129.635 2.8359  2257.39   98.120    2538.66   142.404   2003.16   135.387   137.328 3.8715  121.942 4.1451  15.38614       5.671864 
1 1 1 -4  -2  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -2  32 o 139.854 2.9925  2638.94   111.763   2941.78   162.390   2366.41   154.052   147.497 4.1104  132.212 4.3502  15.28444       5.984962 
1 1 1 -4  -2  33 o 67.302  2.2064  617.221   39.232    568.965   58.696    656.189   52.745    64.814  3.3929  69.790  2.8217  -4.975845      4.412846 
1 1 1 -4  -2  34 o 67.252  2.1823  610.974   39.046    614.688   58.791    608.044   52.230    67.400  3.2566  67.105  2.9059  0.2951050      4.364554 
1 1 1 -4  -2  35 f 19.558  2.7788  57.253    13.688    39.887    21.698    68.735    17.642    16.782  4.6609  22.333  3.0272  -5.551300      5.557693 
1 1 1 -4  -2  36 o 75.446  2.3333  779.376   46.627    736.628   70.247    813.044   62.341    73.485  3.5689  77.408  3.0068  -3.922600      4.666694 
1 1 1 -4  -2  37 o 25.565  2.5507  91.053    16.515    91.176    26.540    90.976    21.098    25.460  4.0257  25.670  3.1336  -0.2102280     5.101498 
1 1 1 -4  -2  38 o 39.804  2.4133  226.786   24.166    186.505   38.480    253.020   31.054    36.539  3.9970  43.068  2.7057  -6.529472      4.826631 
1 1 1 -4  -2  39 o 62.215  2.3103  530.472   37.849    545.759   59.061    519.819   49.304    62.799  3.5255  61.632  2.9867  1.166611       4.620551 
1 1 1 -4  -2  40 o 30.770  2.5515  133.817   19.711    131.382   32.701    135.206   24.703    30.315  4.1351  31.225  2.9902  -0.9092560     5.102985 
1 1 1 -4  -2  41 o 10.582  3.0632  7.7668    12.928    8.1202    23.535    7.6141    15.472    11.412  4.7214  9.7519  3.9040  1.659764       6.126407 
1 1 1 -4  -2  42 o 17.602  3.2999  48.080    15.404    42.143    26.770    51.018    18.835    16.621  5.3184  18.583  3.9080  -1.961790      6.599865 
1 1 1 -4  -2  43 o 20.983  3.3924  73.109    17.950    53.542    31.888    82.185    21.718    18.183  5.8032  23.784  3.5151  -5.600107      6.784736 
1 1 1 -4  -2  44 o 16.362  3.6127  39.583    16.515    52.558    29.941    33.908    19.799    17.891  5.6130  14.833  4.5500  3.058137       7.225471 
1 1 1 -4  -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -2  46 o 29.998  3.2654  142.097   23.195    139.448   41.416    143.307   27.998    28.783  5.5734  31.212  3.4042  -2.429342      6.530806 
1 1 1 -4  -2  47 o 18.235  3.8051  60.583    19.545    51.884    36.351    64.121    23.181    16.654  6.1564  19.815  4.4736  -3.160652      7.610141 
1 1 1 -4  -1  1  o 695.263 12.869  65739.87  2392.56   70162.73  3386.58   61332.58  3380.62   718.963 17.586  671.564 18.794  47.39886       25.73874 
1 1 1 -4  -1  2  o 619.474 11.381  51980.85  1887.97   50660.50  2669.36   53302.45  2670.64   611.515 16.297  627.434 15.891  -15.91919      22.76242 
1 1 1 -4  -1  3  o 370.303 6.8717  18439.25  681.533   18658.39  964.511   18220.73  963.157   372.508 9.6668  368.097 9.7689  4.410400       13.74330 
1 1 1 -4  -1  4  o 522.128 9.6316  36802.73  1346.59   35740.44  1903.31   37867.37  1905.41   514.526 13.811  529.730 13.429  -15.20404      19.26325 
1 1 1 -4  -1  5  o 378.005 7.0281  19215.08  711.482   18845.34  1005.73   19585.48  1006.65   374.350 10.030  381.659 9.8472  -7.308746      14.05611 
1 1 1 -4  -1  6  o 239.134 4.5767  7672.15   293.073   7466.83   414.113   7878.17   414.823   235.923 6.5533  242.345 6.3906  -6.421219      9.153424 
1 1 1 -4  -1  7  o 319.394 5.9684  13699.18  510.558   13514.89  721.682   13883.84  722.394   317.238 8.4932  321.550 8.3876  -4.311890      11.93674 
1 1 1 -4  -1  8  o 155.879 3.1773  3256.53   132.655   3271.27   187.373   3241.72   187.834   156.233 4.4776  155.525 4.5090  0.7080841      6.354553 
1 1 1 -4  -1  9  o 112.688 2.4708  1705.22   74.185    1924.33   105.649   1492.11   104.194   119.848 3.2911  105.529 3.6862  14.31908       4.941638 
1 1 1 -4  -1  10 o 38.029  1.6658  196.089   16.382    257.448   23.703    139.972   22.668    43.842  2.0185  32.216  2.6505  11.62541       3.331565 
1 1 1 -4  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -1  12 o 651.453 11.944  57349.14  2083.14   59469.41  2948.45   55235.92  2943.55   663.579 16.589  639.327 17.189  24.25244       23.88848 
1 1 1 -4  -1  13 o 557.403 10.207  41872.35  1523.61   42954.41  2156.41   40793.70  2153.01   564.636 14.259  550.169 14.610  14.46692       20.41489 
1 1 1 -4  -1  14 o 483.855 8.9174  31501.75  1155.48   30815.61  1634.49   32187.22  1633.70   478.562 12.751  489.147 12.469  -10.58459      17.83486 
1 1 1 -4  -1  15 o 271.341 5.2020  9888.69   377.380   9210.99   534.149   10564.09  533.244   262.032 7.6106  280.651 7.0937  -18.61835      10.40391 
1 1 1 -4  -1  16 f 287.115 5.3914  11062.43  414.406   11509.18  587.607   10620.37  584.521   292.892 7.4901  281.338 7.7568  11.55472       10.78287 
1 1 1 -4  -1  17 f 230.063 4.3704  7098.65   269.207   7357.06   382.167   6844.14   379.281   234.223 6.0916  225.902 6.2683  8.321198       8.740709 
1 1 1 -4  -1  18 o 221.530 4.2942  6583.02   254.785   6688.40   361.759   6479.31   358.900   223.290 6.0487  219.770 6.0970  3.520798       8.588361 
1 1 1 -4  -1  19 o 245.803 4.7216  8113.68   310.850   8211.12   441.148   8017.60   438.085   247.271 6.6607  244.336 6.6939  2.934555       9.443211 
1 1 1 -4  -1  20 o 295.599 5.6446  11771.57  446.661   11344.11  632.902   12195.73  630.454   290.218 8.1419  300.980 7.8204  -10.76230      11.28928 
1 1 1 -4  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -1  22 o 92.472  2.2555  1145.64   55.406    1354.15   80.350    956.622   76.504    100.493 2.9851  84.450  3.3822  16.04337       4.511075 
1 1 1 -4  -1  23 o 118.356 2.6366  1879.00   83.556    1923.21   120.116   1837.55   116.309   119.703 3.7463  117.009 3.7111  2.693848       5.273279 
1 1 1 -4  -1  24 o 276.171 5.2678  10312.45  389.634   10517.30  553.434   10111.12  548.647   278.905 7.4083  273.437 7.4911  5.467834       10.53567 
1 1 1 -4  -1  25 o 142.679 2.9873  2733.05   113.996   2946.77   163.738   2532.00   158.806   148.098 4.1277  137.260 4.3195  10.83862       5.974629 
1 1 1 -4  -1  26 o 88.758  2.3210  1056.93   55.086    1063.48   80.382    1051.13   75.641    89.012  3.3715  88.504  3.1909  0.5080414      4.642016 
1 1 1 -4  -1  27 o 65.688  2.0690  576.433   36.311    613.967   53.736    544.895   49.258    67.646  2.9658  63.730  2.8856  3.915462       4.137955 
1 1 1 -4  -1  28 o 78.893  2.1790  829.550   45.809    958.053   67.732    721.221   62.189    84.489  2.9930  73.297  3.1677  11.19239       4.358010 
1 1 1 -4  -1  29 o 91.397  2.4031  1127.15   58.546    1062.32   85.542    1184.27   80.300    88.897  3.5925  93.898  3.1928  -5.000702      4.806286 
1 1 1 -4  -1  30 o 94.459  4.9237  1208.96   124.142   0.0000    0.0000    1208.96   124.142   ?       ?       94.459  4.9237  ?              ?        
1 1 1 -4  -1  31 o 162.906 3.3443  3586.76   145.717   3868.32   210.277   3326.63   202.114   169.079 4.6432  156.733 4.8144  12.34506       6.688639 
1 1 1 -4  -1  32 o 26.693  2.2994  95.132    15.822    109.783   25.403    85.846    20.224    28.327  3.4170  25.059  3.0779  3.268085       4.598880 
1 1 1 -4  -1  33 o 33.022  2.1274  143.571   18.299    179.679   29.111    119.983   23.529    36.370  3.0155  29.673  3.0016  6.696762       4.254771 
1 1 1 -4  -1  34 o 23.393  2.6505  82.600    14.872    53.609    23.483    102.015   19.217    19.414  4.5885  27.372  2.6545  -7.958298      5.301023 
1 1 1 -4  -1  35 o 86.649  2.4255  1023.56   55.919    995.967   83.380    1046.11   75.386    85.503  3.6408  87.796  3.2057  -2.293381      4.850973 
1 1 1 -4  -1  36 o 37.089  2.2672  188.870   21.695    186.465   34.759    190.406   27.767    36.795  3.5719  37.384  2.7933  -0.5888557     4.534416 
1 1 1 -4  -1  37 o 85.216  2.4397  991.589   55.315    1006.92   83.419    979.558   73.898    85.706  3.6338  84.725  3.2563  0.9801865      4.879409 
1 1 1 -4  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -1  39 o 32.680  2.5668  150.668   21.012    145.533   35.032    153.553   26.261    32.005  4.1869  33.354  2.9705  -1.349804      5.133661 
1 1 1 -4  -1  40 o 15.105  3.2116  25.860    14.177    55.945    25.274    12.047    17.126    19.348  4.8781  10.862  4.1786  8.485865       6.423103 
1 1 1 -4  -1  41 o 12.405  3.1471  19.593    14.308    -3.2339   26.004    29.504    17.135    10.614  4.6820  14.195  4.2067  -3.581309      6.294271 
1 1 1 -4  -1  42 o 22.690  3.1570  77.511    17.745    77.357    29.980    77.594    22.016    22.288  5.1285  23.092  3.6832  -0.8040104     6.314071 
1 1 1 -4  -1  43 o 21.460  3.3143  69.545    17.638    76.865    30.847    65.989    21.498    21.902  5.3126  21.017  3.9643  0.8850002      6.628671 
1 1 1 -4  -1  44 o 11.944  3.3034  14.608    14.017    24.949    26.595    10.630    16.494    13.639  5.2165  10.249  4.0542  3.389617       6.606707 
1 1 1 -4  -1  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  -1  46 o 14.059  3.7210  28.108    17.231    38.378    33.366    24.373    20.121    15.333  5.8481  12.785  4.6026  2.548421       7.442058 
1 1 1 -4  -1  47 o 24.611  3.6307  92.427    21.479    142.568   40.908    73.342    25.238    28.253  5.6036  20.969  4.6183  7.284212       7.261486 
1 1 1 -4  0   1  o 547.724 12.164  40020.69  1693.58   42875.52  2937.65   38599.50  2072.70   561.072 19.548  534.376 14.481  26.69611       24.32710 
1 1 1 -4  0   2  o 785.120 18.338  85995.39  3607.69   82038.68  6241.93   87980.20  4420.90   767.183 30.376  803.056 20.553  -35.87231      36.67601 
1 1 1 -4  0   3  o 325.807 6.0713  14261.66  529.821   14225.82  749.075   14297.55  749.486   325.396 8.5946  326.218 8.5776  -0.8213806     12.14257 
1 1 1 -4  0   4  o 709.659 13.151  68539.26  2493.21   62837.82  3521.33   74270.57  3530.54   679.599 19.345  739.718 17.819  -60.11963      26.30103 
1 1 1 -4  0   5  o 530.193 9.7311  37942.36  1381.72   38713.26  1955.17   37173.23  1952.93   535.612 13.628  524.773 13.894  10.83972       19.46219 
1 1 1 -4  0   6  o 222.369 4.2463  6637.23   252.496   7102.64   358.042   6176.77   356.133   230.140 5.8083  214.597 6.1958  15.54323       8.492651 
1 1 1 -4  0   7  o 168.801 3.3725  3819.18   152.480   3841.86   216.253   3796.76   215.031   169.300 4.7689  168.303 4.7700  0.9967804      6.745010 
1 1 1 -4  0   8  o 263.974 4.9667  9348.39   351.168   9334.68   496.457   9362.13   496.796   263.780 7.0267  264.168 7.0211  -0.3879089     9.933311 
1 1 1 -4  0   9  o 174.318 3.4538  4072.76   161.258   4055.95   227.859   4089.64   228.248   173.958 4.8903  174.679 4.8784  -0.7212982     6.907513 
1 1 1 -4  0   10 o 501.058 9.1651  33805.10  1230.00   34023.87  1739.44   33586.30  1739.54   502.689 12.919  499.428 13.004  3.260498       18.33015 
1 1 1 -4  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  0   12 o 124.927 2.5892  2090.98   86.639    2092.12   122.324   2089.83   122.730   124.961 3.6547  124.893 3.6688  0.6847382E-01  5.178480 
1 1 1 -4  0   13 o 272.048 5.1523  9927.65   375.411   10050.72  530.801   9804.47   531.023   273.738 7.2395  270.358 7.3330  3.379578       10.30455 
1 1 1 -4  0   14 o 504.066 9.3606  34205.21  1263.42   33222.27  1785.79   35190.27  1787.71   496.779 13.421  511.353 13.052  -14.57364      18.72114 
1 1 1 -4  0   15 o 202.349 3.9662  5488.70   214.962   5481.26   303.776   5496.16   304.230   202.212 5.6086  202.487 5.6094  -0.2746887     7.932348 
1 1 1 -4  0   16 o 135.386 2.7887  2456.02   101.127   2465.69   142.849   2446.30   143.181   135.653 3.9315  135.118 3.9562  0.5348816      5.577493 
1 1 1 -4  0   17 o 432.338 7.9863  25157.20  924.789   24899.89  1307.40   25414.86  1308.30   430.115 11.348  434.561 11.240  -4.445557      15.97262 
1 1 1 -4  0   18 o 47.539  1.7507  303.420   22.229    314.776   31.279    291.832   31.596    48.474  2.4091  46.604  2.5408  1.870121       3.501338 
1 1 1 -4  0   19 o 46.485  1.7665  290.300   21.899    276.598   30.725    304.448   31.222    45.365  2.5388  47.605  2.4569  -2.240734      3.533019 
1 1 1 -4  0   20 o 153.165 3.1550  3147.96   129.427   3182.87   182.831   3112.90   183.244   154.018 4.4319  152.312 4.4917  1.706207       6.310050 
1 1 1 -4  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  0   22 o 273.928 5.2673  10131.40  386.408   10337.75  546.413   9924.98   546.513   276.741 7.3715  271.115 7.5259  5.626129       10.53464 
1 1 1 -4  0   23 o 190.973 3.7584  4906.87   192.248   4889.63   271.676   4924.17   272.083   190.636 5.3205  191.310 5.3098  -0.6738892     7.516760 
1 1 1 -4  0   24 o 82.742  2.1641  918.382   47.959    905.129   67.614    931.801   68.037    82.141  3.0732  83.344  3.0478  -1.202621      4.328206 
1 1 1 -4  0   25 o 130.973 2.8984  2305.05   101.658   2353.66   143.611   2256.23   143.922   132.362 4.0507  129.584 4.1466  2.778412       5.796758 
1 1 1 -4  0   26 o 124.465 2.6951  2080.73   89.847    2086.40   126.859   2075.01   127.269   124.636 3.8000  124.294 3.8228  0.3426743      5.390196 
1 1 1 -4  0   27 o 29.113  3.0477  99.060    21.116    195.149   38.499    57.717    25.253    37.919  3.8437  20.306  4.7308  17.61237       6.095451 
1 1 1 -4  0   28 o 84.389  2.2741  956.466   51.267    953.455   75.218    959.078   70.062    84.257  3.3329  84.521  3.0948  -0.2645340     4.548169 
1 1 1 -4  0   29 o 42.797  2.0510  246.947   23.152    247.965   35.249    246.174   30.702    42.854  3.0917  42.740  2.6958  0.1138115      4.101926 
1 1 1 -4  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  0   31 o 68.248  2.1550  623.259   39.192    661.352   59.098    593.354   52.362    70.087  3.1480  66.409  2.9438  3.678810       4.309981 
1 1 1 -4  0   32 o 12.729  2.8308  22.030    11.208    10.854    18.207    28.850    14.222    11.118  4.2995  14.340  3.6835  -3.221852      5.661634 
1 1 1 -4  0   33 o 22.099  2.5415  62.982    13.984    99.096    23.180    42.317    17.534    26.875  3.2887  17.324  3.8757  9.551315       5.083002 
1 1 1 -4  0   34 o 29.656  2.2355  117.881   17.214    134.890   27.416    106.812   22.117    31.371  3.3129  27.941  3.0023  3.430452       4.470904 
1 1 1 -4  0   35 o 63.881  2.2535  557.180   37.955    540.678   58.133    569.441   50.110    62.928  3.4623  64.835  2.8855  -1.906258      4.507050 
1 1 1 -4  0   36 o 74.598  2.3147  755.141   45.900    781.712   69.802    734.899   60.925    75.682  3.4434  73.514  3.0941  2.168617       4.629325 
1 1 1 -4  0   37 o 25.216  2.6219  85.618    16.605    102.555   28.146    76.577    20.564    26.996  4.0148  23.436  3.3731  3.559582       5.243712 
1 1 1 -4  0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  0   39 o 35.065  2.4422  168.569   21.935    184.297   36.361    159.570   27.503    36.185  3.8088  33.945  3.0578  2.240540       4.884411 
1 1 1 -4  0   40 f 56.799  2.4690  457.353   36.155    427.355   57.739    476.702   46.372    54.893  3.9535  58.704  2.9586  -3.810822      4.937987 
1 1 1 -4  0   41 o 34.968  2.6340  174.716   23.216    175.985   38.749    174.005   28.997    34.731  4.2542  35.205  3.1069  -0.4735489     5.267979 
1 1 1 -4  0   42 f 15.026  3.5015  33.495    15.594    32.767    28.459    33.807    18.642    15.095  5.4679  14.958  4.3754  0.1370411      7.003020 
1 1 1 -4  0   43 o 18.796  3.6136  51.743    17.562    72.035    32.008    43.003    21.007    20.959  5.5965  16.634  4.5730  4.324818       7.227232 
1 1 1 -4  0   44 o 55.012  2.7202  451.196   37.908    418.852   62.183    470.326   47.822    52.583  4.4570  57.441  3.1199  -4.857651      5.440457 
1 1 1 -4  0   45 o 10.194  3.2173  -1.1492   15.709    4.4915    31.051    -3.0897   18.212    11.708  5.1420  8.6794  3.8684  3.028562       6.434660 
1 1 1 -4  0   46 o 30.430  3.2365  135.037   23.865    189.190   44.494    113.166   28.277    33.827  5.0668  27.033  4.0283  6.794123       6.472985 
1 1 1 -4  1   1  o 584.800 15.334  46281.19  2401.81   0.0000    0.0000    46281.19  2401.81   ?       ?       584.800 15.334  ?              ?        
1 1 1 -4  1   2  o 168.805 4.1163  3842.55   175.522   3759.42   302.091   3884.91   215.659   167.377 6.7383  170.234 4.7297  -2.857056      8.232554 
1 1 1 -4  1   3  o 692.551 12.768  65143.18  2368.20   66034.28  3349.56   64252.53  3348.72   697.353 17.933  687.750 18.179  9.602722       25.53513 
1 1 1 -4  1   4  o 339.665 6.2825  15503.16  571.542   15704.28  808.245   15301.99  808.319   341.876 8.8264  337.454 8.9429  4.421875       12.56510 
1 1 1 -4  1   5  o 504.616 9.2605  34340.48  1251.57   33865.03  1769.41   34816.55  1770.56   501.098 13.183  508.135 13.009  -7.037598      18.52095 
1 1 1 -4  1   6  f 127.450 2.7046  2176.73   92.324    2198.05   130.430   2155.32   130.703   128.076 3.8021  126.824 3.8476  1.251724       5.409258 
1 1 1 -4  1   7  o 140.433 2.8786  2644.31   108.186   2767.98   152.943   2520.47   153.053   143.723 3.9729  137.143 4.1666  6.580399       5.757131 
1 1 1 -4  1   8  o 24.108  1.5202  78.482    9.7111    79.721    13.678    77.222    13.790    24.304  2.1225  23.912  2.1769  0.3916092      3.040359 
1 1 1 -4  1   9  o 584.643 10.739  46122.87  1681.43   46910.41  2378.28   45335.84  2377.51   589.669 15.058  579.616 15.314  10.05365       21.47707 
1 1 1 -4  1   10 o 426.093 15.838  24508.50  1807.53   0.0000    0.0000    24508.50  1807.53   ?       ?       426.093 15.838  ?              ?        
1 1 1 -4  1   11 o 580.275 10.696  45414.07  1662.36   45913.08  2351.07   44915.18  2350.80   583.485 15.043  577.065 15.209  6.419922       21.39207 
1 1 1 -4  1   12 f 739.739 13.627  74094.48  2699.95   74613.40  3818.46   73575.64  3818.15   742.358 19.204  737.121 19.339  5.236816       27.25372 
1 1 1 -4  1   13 o 693.233 12.743  64965.43  2366.05   64270.59  3345.29   65660.94  3346.91   689.490 18.114  696.975 17.928  -7.484619      25.48613 
1 1 1 -4  1   14 o 288.647 5.4877  11178.86  424.191   10916.64  599.468   11441.83  600.328   285.251 7.8460  292.043 7.6745  -6.792297      10.97536 
1 1 1 -4  1   15 o 348.400 6.5058  16298.61  607.100   16181.85  858.208   16415.57  858.932   347.148 9.2297  349.651 9.1714  -2.503815      13.01161 
1 1 1 -4  1   16 o 415.996 7.7471  23273.57  863.209   23220.03  1220.47   23327.15  1221.05   415.516 10.966  416.476 10.946  -0.9606018     15.49419 
1 1 1 -4  1   17 o 226.842 4.3542  6902.69   264.556   6867.38   373.832   6938.11   374.448   226.260 6.1685  227.424 6.1470  -1.163559      8.708410 
1 1 1 -4  1   18 o 42.987  1.7115  248.378   19.624    251.957   27.671    244.757   27.835    43.301  2.3952  42.673  2.4455  0.6282921      3.423069 
1 1 1 -4  1   19 o 252.288 4.8087  8557.42   324.884   8752.16   459.337   8362.48   459.573   255.172 6.7206  249.405 6.8796  5.767136       9.617450 
1 1 1 -4  1   20 o 201.278 5.6525  5469.99   304.346   5711.10   426.832   5220.62   434.079   205.839 7.7418  196.718 8.2383  9.121262       11.30505 
1 1 1 -4  1   21 o 111.715 2.5093  1674.19   75.084    1672.61   105.914   1675.77   106.457   111.662 3.5413  111.767 3.5561  -0.1045609     5.018589 
1 1 1 -4  1   22 o 101.997 2.3771  1396.10   64.875    1316.09   91.332    1477.59   92.169    99.042  3.4428  104.952 3.2787  -5.909668      4.754281 
1 1 1 -4  1   23 o 126.365 2.7474  2144.89   92.940    2220.44   131.242   2068.89   131.634   128.604 3.8100  124.126 3.9593  4.478455       5.494759 
1 1 1 -4  1   24 o 366.093 6.9166  18264.80  678.179   18007.85  958.621   18522.27  959.559   363.473 9.8466  368.713 9.7162  -5.239868      13.83326 
1 1 1 -4  1   25 o 156.858 3.2628  3309.01   137.043   3208.19   193.417   3410.65   194.202   154.449 4.6754  159.266 4.5524  -4.816223      6.525634 
1 1 1 -4  1   26 o 168.530 3.3800  3821.67   152.569   3846.79   215.535   3796.44   215.996   169.089 4.7590  167.972 4.8009  1.117279       6.759905 
1 1 1 -4  1   27 o 139.333 2.9719  2610.71   110.897   2555.67   156.589   2666.09   157.077   137.855 4.2408  140.811 4.1647  -2.956909      5.943875 
1 1 1 -4  1   28 o 105.843 2.4359  1505.61   69.012    1437.91   97.292    1574.16   97.906    103.441 3.5115  108.244 3.3769  -4.803879      4.871782 
1 1 1 -4  1   29 o 61.772  1.9576  512.331   32.386    501.655   45.482    523.311   46.125    61.119  2.7783  62.425  2.7586  -1.306465      3.915209 
1 1 1 -4  1   30 o 29.494  2.1845  119.924   16.652    142.727   23.315    96.180    23.791    32.479  2.7046  26.510  3.4311  5.969963       4.368956 
1 1 1 -4  1   31 o 94.397  2.3364  1201.21   59.073    1202.90   83.428    1199.51   83.654    94.465  3.2973  94.329  3.3110  0.1358185      4.672724 
1 1 1 -4  1   32 o 93.881  2.3530  1191.13   59.129    1241.51   83.681    1140.89   83.563    95.881  3.2584  91.881  3.3955  4.000221       4.705983 
1 1 1 -4  1   33 o 67.890  2.2835  634.924   40.650    554.751   61.110    698.555   54.441    63.848  3.5879  71.931  2.8257  -8.083557      4.566981 
1 1 1 -4  1   34 o 73.455  2.2396  727.465   43.785    767.804   66.412    696.451   58.233    75.208  3.2968  71.702  3.0321  3.505638       4.479135 
1 1 1 -4  1   35 o 21.181  2.8141  63.693    14.906    61.652    24.368    64.913    18.842    20.769  4.5096  21.593  3.3676  -0.8239021     5.628235 
1 1 1 -4  1   36 o 46.445  2.2153  293.479   26.890    302.996   42.550    287.151   34.698    46.985  3.4041  45.905  2.8358  1.079559       4.430561 
1 1 1 -4  1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  1   38 o 28.563  2.5446  109.858   18.429    132.597   31.124    97.582    22.869    30.679  3.8740  26.447  3.3003  4.232140       5.089173 
1 1 1 -4  1   39 o 63.787  2.4055  568.212   40.080    549.685   62.947    580.845   51.979    62.607  3.7713  64.968  2.9870  -2.360867      4.810961 
1 1 1 -4  1   40 o 10.691  2.9673  9.8581    13.095    -7.4043   22.502    18.699    16.103    9.4918  4.2601  11.890  4.1318  -2.398258      5.934651 
1 1 1 -4  1   41 o 12.035  3.2599  16.929    14.204    11.158    25.663    19.477    17.054    12.009  4.9456  12.061  4.2482  -0.5184269E-01 6.519725 
1 1 1 -4  1   42 o 22.822  3.3517  77.202    18.644    89.471    33.571    71.731    22.420    23.673  5.4124  21.972  3.9549  1.700232       6.703403 
1 1 1 -4  1   43 o 14.159  3.4478  30.744    16.453    11.225    30.456    38.788    19.551    12.484  5.2813  15.835  4.4337  -3.350959      6.895643 
1 1 1 -4  1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  1   45 o 16.558  3.7567  46.312    18.307    41.313    34.086    48.339    21.702    15.815  5.9385  17.302  4.6026  -1.487177      7.513336 
1 1 1 -4  1   46 o 14.266  3.6329  34.594    17.687    22.662    33.697    39.131    20.780    13.251  5.5777  15.280  4.6564  -2.029675      7.265853 
1 1 1 -4  2   1  o 377.771 8.5939  19253.58  819.454   19188.69  1418.45   19286.09  1003.94   376.880 14.051  378.663 9.8984  -1.782837      17.18782 
1 1 1 -4  2   2  o 576.055 10.613  44877.09  1637.54   44678.21  2315.65   45076.04  2316.02   574.766 15.042  577.343 14.977  -2.577393      21.22623 
1 1 1 -4  2   3  o 392.526 7.2864  20728.32  766.029   20466.16  1083.06   20990.75  1083.60   390.032 10.367  395.021 10.241  -4.988617      14.57278 
1 1 1 -4  2   4  o 275.356 5.1727  10176.57  381.502   10127.93  539.390   10225.26  539.661   274.696 7.3310  276.015 7.2996  -1.319336      10.34540 
1 1 1 -4  2   5  o 278.406 5.2296  10402.81  389.966   10468.22  551.445   10337.37  551.546   279.283 7.3717  277.529 7.4197  1.754791       10.45914 
1 1 1 -4  2   6  o 25.489  1.5349  87.676    10.377    89.440    14.641    85.897    14.709    25.751  2.1421  25.227  2.1988  0.5238819      3.069709 
1 1 1 -4  2   7  f 210.054 4.1066  5916.19   231.041   5852.23   326.560   5980.29   326.923   208.916 5.8358  211.192 5.7794  -2.275681      8.213267 
1 1 1 -4  2   8  o 83.007  2.0678  923.369   45.953    954.256   64.900    892.314   65.076    84.400  2.8708  81.614  2.9769  2.786079       4.135662 
1 1 1 -4  2   9  o 208.715 4.0518  5840.35   226.504   5900.17   320.204   5780.45   320.448   209.786 5.6985  207.644 5.7617  2.141632       8.103692 
1 1 1 -4  2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  2   11 o 548.642 10.117  40563.87  1486.53   39735.72  2101.43   41393.35  2103.11   543.003 14.449  554.280 14.166  -11.27728      20.23444 
1 1 1 -4  2   12 o 515.223 9.4264  35736.23  1300.78   35276.21  1838.96   36196.86  1840.20   511.888 13.412  518.558 13.249  -6.669495      18.85271 
1 1 1 -4  2   13 o 381.240 7.1176  19521.55  726.806   19575.75  1027.74   19467.33  1027.97   381.771 10.051  380.709 10.081  1.062042       14.23517 
1 1 1 -4  2   14 o 355.727 6.6638  16991.77  634.930   17041.29  897.763   16942.22  898.089   356.247 9.4085  355.207 9.4395  1.040131       13.32759 
1 1 1 -4  2   15 o 376.636 7.0348  19061.56  709.555   19473.31  1003.60   18650.05  1003.32   380.716 9.8417  372.555 10.055  8.160339       14.06956 
1 1 1 -4  2   16 o 206.094 4.0624  5696.15   224.227   5790.67   317.040   5601.56   317.171   207.807 5.6959  204.381 5.7938  3.425873       8.124756 
1 1 1 -4  2   17 o 196.956 3.8758  5203.90   204.421   5325.34   289.027   5082.35   289.163   199.260 5.4154  194.653 5.5461  4.606201       7.751530 
1 1 1 -4  2   18 o 118.472 2.5660  1881.43   81.426    1877.29   115.003   1885.59   115.305   118.341 3.6281  118.603 3.6296  -0.2613449     5.132030 
1 1 1 -4  2   19 o 89.455  2.1940  1072.66   52.568    1070.02   74.212    1075.33   74.474    89.344  3.1011  89.566  3.1044  -0.2213821     4.387938 
1 1 1 -4  2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  2   21 o 213.021 4.1855  6111.75   238.577   6425.83   337.481   5797.98   337.316   218.523 5.7658  207.520 6.0686  11.00314       8.370958 
1 1 1 -4  2   22 o 201.233 3.9484  5450.56   212.819   5445.44   300.747   5455.70   301.198   201.139 5.5823  201.328 5.5855  -0.1889038     7.896835 
1 1 1 -4  2   23 o 153.647 3.1716  3173.34   130.494   3245.51   184.393   3100.93   184.700   155.404 4.4299  151.890 4.5399  3.514114       6.343116 
1 1 1 -4  2   24 o 120.209 2.6847  1940.39   86.436    1910.21   121.865   1970.95   122.616   119.266 3.8148  121.151 3.7786  -1.884590      5.369391 
1 1 1 -4  2   25 o 142.488 3.0200  2728.82   115.256   2736.91   162.685   2720.68   163.309   142.702 4.2563  142.275 4.2854  0.4272156      6.039923 
1 1 1 -4  2   26 o 105.807 2.4414  1503.45   69.175    1535.40   97.607    1471.20   98.050    106.940 3.4076  104.673 3.4972  2.266396       4.882871 
1 1 1 -4  2   27 o 147.271 3.0952  2918.85   122.064   2835.91   172.229   3002.55   173.022   145.160 4.4296  149.382 4.3243  -4.221222      6.190426 
1 1 1 -4  2   28 o 25.892  2.1720  91.902    14.635    102.768   20.469    80.540    20.931    27.524  2.8162  24.260  3.3074  3.264271       4.343911 
1 1 1 -4  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  2   30 f 106.632 2.5272  1533.02   72.177    1541.48   101.874   1524.49   102.274   106.931 3.5569  106.333 3.5910  0.5975952      5.054356 
1 1 1 -4  2   31 o 86.208  2.2261  1002.05   51.400    986.477   72.468    1017.82   72.916    85.531  3.1632  86.885  3.1332  -1.353859      4.452298 
1 1 1 -4  2   32 o 70.593  2.1056  673.263   39.768    708.720   56.149    637.575   56.331    72.475  2.8925  68.710  3.0608  3.764481       4.211273 
1 1 1 -4  2   33 o 46.064  1.9593  287.699   24.056    291.632   33.811    283.668   34.234    46.391  2.7331  45.736  2.8081  0.6547699      3.918581 
1 1 1 -4  2   34 o 37.493  1.9566  191.238   19.507    195.333   27.565    187.129   27.609    37.904  2.7334  37.082  2.8004  0.8225555      3.913284 
1 1 1 -4  2   35 o 20.846  2.4126  60.703    13.004    60.166    18.262    61.256    18.520    20.752  3.4036  20.939  3.4202  -0.1871719     4.825161 
1 1 1 -4  2   36 o 30.725  2.1507  131.115   17.164    155.131   24.164    106.657   24.385    33.704  2.6993  27.746  3.3490  5.958351       4.301385 
1 1 1 -4  2   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  2   38 o 51.751  2.3018  364.109   31.170    403.536   49.918    338.910   39.907    53.901  3.4761  49.601  3.0181  4.299583       4.603513 
1 1 1 -4  2   39 o 37.588  2.8193  214.327   25.361    158.969   41.609    247.049   31.990    32.888  4.8706  42.288  2.8407  -9.399353      5.638525 
1 1 1 -4  2   40 o 29.177  2.6941  117.649   19.931    142.837   33.509    103.858   24.794    31.382  4.0833  26.973  3.5155  4.408974       5.388125 
1 1 1 -4  2   41 o 18.675  3.4498  51.225    16.539    63.545    29.463    45.556    19.985    20.014  5.3801  17.335  4.3197  2.678982       6.899651 
1 1 1 -4  2   42 o 17.069  3.3110  49.954    16.310    22.789    30.512    60.823    19.299    13.841  5.5016  20.297  3.6857  -6.456289      6.622099 
1 1 1 -4  2   43 o 35.072  2.8380  180.084   24.618    189.964   42.791    175.196   30.098    35.216  4.6503  34.929  3.2545  0.2863350      5.676061 
1 1 1 -4  2   44 o 17.562  3.6519  37.534    18.157    90.765    34.708    17.476    21.305    23.198  5.6405  11.926  4.6402  11.27138       7.303855 
1 1 1 -4  2   45 o 12.858  3.4306  24.339    16.812    1.6096    32.410    32.707    19.665    11.454  5.1287  14.263  4.5577  -2.809085      6.861197 
1 1 1 -4  3   1  o 131.583 2.7378  2320.71   96.470    2264.42   136.520   2376.84   136.339   129.988 3.9211  133.178 3.8221  -3.190048      5.475666 
1 1 1 -4  3   2  o 460.778 8.4986  28611.77  1048.64   29340.32  1483.57   27884.36  1482.41   466.675 11.869  454.880 12.167  11.79474       16.99716 
1 1 1 -4  3   3  o 328.986 6.1054  14539.17  537.995   14473.93  760.764   14604.44  760.917   328.245 8.6529  329.726 8.6158  -1.480835      12.21085 
1 1 1 -4  3   4  o 117.730 2.5453  1857.19   80.262    1841.78   113.463   1872.62   113.553   117.241 3.6131  118.219 3.5861  -0.9780655     5.090692 
1 1 1 -4  3   5  o 393.998 7.2911  20873.51  769.371   20533.71  1087.77   21213.66  1088.34   390.777 10.392  397.219 10.229  -6.442230      14.58224 
1 1 1 -4  3   6  o 372.402 6.9063  18639.02  688.672   18100.10  973.451   19179.01  974.408   366.994 9.9030  377.809 9.6290  -10.81525      13.81252 
1 1 1 -4  3   7  o 315.910 5.8956  13397.26  498.823   13195.39  705.192   13599.41  705.692   313.522 8.3975  318.297 8.2774  -4.774231      11.79124 
1 1 1 -4  3   8  o 184.902 3.6221  4582.71   179.377   4521.33   253.527   4644.23   253.827   183.661 5.1537  186.143 5.0910  -2.481430      7.244218 
1 1 1 -4  3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  3   10 o 464.794 8.5015  29059.57  1058.35   28782.81  1496.28   29336.67  1497.19   462.570 12.077  467.017 11.969  -4.447632      17.00295 
1 1 1 -4  3   11 o 689.205 12.693  64216.97  2343.03   64839.01  3313.86   63595.17  3313.23   692.573 17.864  685.836 18.036  6.736694       25.38552 
1 1 1 -4  3   12 o 316.555 5.9124  13447.06  501.300   13525.66  708.830   13368.42  709.060   317.482 8.3355  315.627 8.3872  1.854675       11.82486 
1 1 1 -4  3   13 o 774.126 14.245  81208.09  2953.64   81966.70  4177.47   80449.75  4176.70   777.783 20.052  770.469 20.239  7.314270       28.49061 
1 1 1 -4  3   14 o 247.168 4.6908  8193.65   310.514   8331.20   439.067   8056.02   439.200   249.246 6.5768  245.090 6.6903  4.156723       9.381616 
1 1 1 -4  3   15 o 383.343 7.2273  19755.10  742.079   19702.21  1049.19   19808.03  1049.72   382.828 10.232  383.858 10.210  -1.029846      14.45456 
1 1 1 -4  3   16 o 78.046  2.0247  816.460   42.298    849.614   59.766    783.193   59.869    79.635  2.8020  76.457  2.9235  3.177391       4.049403 
1 1 1 -4  3   17 o 376.754 6.9637  19126.89  702.625   19499.96  993.756   18753.95  993.568   380.451 9.7520  373.058 9.9433  7.392212       13.92735 
1 1 1 -4  3   18 o 271.193 5.1304  9893.94   372.662   9874.49   526.807   9913.43   527.240   270.926 7.2596  271.461 7.2512  -0.5350647     10.26072 
1 1 1 -4  3   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  3   20 o 98.859  2.3485  1310.78   62.186    1303.68   87.746    1317.94   88.145    98.590  3.3228  99.127  3.3198  -0.5378418     4.697069 
1 1 1 -4  3   21 o 299.199 5.6898  12108.94  455.962   12233.18  644.744   11984.63  644.911   300.750 8.0037  297.648 8.0892  3.102142       11.37961 
1 1 1 -4  3   22 o 169.138 3.4664  3847.47   157.007   3938.13   221.977   3756.70   222.106   171.140 4.8425  167.135 4.9614  4.005249       6.932892 
1 1 1 -4  3   23 o 144.564 3.0210  2808.23   116.963   2756.16   165.141   2860.64   165.681   143.215 4.3050  145.912 4.2393  -2.696716      6.041919 
1 1 1 -4  3   24 o 85.513  2.2073  981.214   50.554    991.333   71.335    971.005   71.655    85.957  3.0984  85.069  3.1448  0.8882370      4.414686 
1 1 1 -4  3   25 o 80.965  2.1507  879.624   46.638    886.162   65.747    873.001   66.166    81.269  3.0204  80.661  3.0626  0.6078568      4.301399 
1 1 1 -4  3   26 o 27.817  2.0512  104.997   14.898    87.495    20.635    124.050   21.530    25.343  3.1048  30.291  2.6813  -4.948000      4.102335 
1 1 1 -4  3   27 o 45.290  1.9152  277.034   23.054    296.730   32.272    256.507   32.945    46.957  2.5758  43.623  2.8350  3.333210       3.830363 
1 1 1 -4  3   28 o 80.281  4.6242  872.665   99.014    0.0000    0.0000    872.665   99.014    ?       ?       80.281  4.6242  ?              ?        
1 1 1 -4  3   29 o 77.388  2.1586  805.536   44.741    804.849   62.968    806.236   63.584    77.356  3.0390  77.420  3.0663  -0.6360626E-01 4.317121 
1 1 1 -4  3   30 o 51.805  1.9404  362.106   26.810    387.281   37.876    336.827   37.955    53.662  2.6352  49.947  2.8489  3.715084       3.880731 
1 1 1 -4  3   31 o 103.997 2.4629  1463.06   68.529    1378.15   96.574    1549.17   97.258    100.931 3.5723  107.064 3.3915  -6.132416      4.925795 
1 1 1 -4  3   32 o 24.417  2.1446  81.753    13.709    80.980    18.921    82.607    19.891    24.306  2.9680  24.528  3.0967  -0.2222786     4.289299 
1 1 1 -4  3   33 o 11.496  2.4734  15.645    9.5347    30.453    13.477    0.8043    13.492    14.680  3.4803  8.3113  3.5155  6.369115       4.946850 
1 1 1 -4  3   34 o 14.239  2.7224  28.588    10.736    23.214    15.120    34.052    15.245    12.990  3.9747  15.488  3.7213  -2.498146      5.444873 
1 1 1 -4  3   35 o 54.776  2.0446  408.633   29.890    412.201   42.193    405.039   42.350    55.023  2.8729  54.530  2.9101  0.4929314      4.089232 
1 1 1 -4  3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  3   37 o 21.807  2.4782  67.300    13.943    70.870    19.350    63.445    20.109    22.479  3.3132  21.134  3.6863  1.344660       4.956381 
1 1 1 -4  3   38 o 14.475  2.9848  30.278    12.274    30.472    16.914    30.062    17.840    14.508  4.1456  14.442  4.2953  0.6639576E-01  5.969595 
1 1 1 -4  3   39 o 43.246  2.1040  259.787   24.213    249.967   33.970    269.929   34.520    42.393  3.0113  44.098  2.9394  -1.705479      4.208082 
1 1 1 -4  3   40 f 26.362  2.9273  100.645   19.127    107.264   32.406    97.107    23.694    26.700  4.7031  26.024  3.4869  0.6766911      5.854688 
1 1 1 -4  3   41 f 16.751  3.5405  37.653    16.163    63.608    29.953    26.990    19.198    19.911  5.4552  13.591  4.5147  6.319188       7.081061 
1 1 1 -4  3   42 o 25.060  3.2010  92.215    19.725    108.974   34.444    84.038    24.061    26.339  5.0664  23.780  3.9136  2.558226       6.401911 
1 1 1 -4  3   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  3   44 o 11.877  2.9834  17.373    15.030    -31.8354  29.227    35.065    17.525    8.8116  4.2357  14.943  4.2026  -6.131403      5.966827 
1 1 1 -4  3   45 o 10.703  3.3072  5.4389    15.624    13.689    31.776    2.8084    17.943    12.258  5.2945  9.1480  3.9647  3.110496       6.614417 
1 1 1 -4  4   1  o 510.374 9.3962  35139.86  1284.48   35167.55  1816.57   35112.16  1816.50   510.576 13.283  510.171 13.293  0.4050903      18.79238 
1 1 1 -4  4   2  o 267.396 5.0616  9595.41   362.516   9637.78   512.847   9553.09   512.504   267.987 7.1447  266.805 7.1716  1.182037       10.12317 
1 1 1 -4  4   3  o 144.552 2.9750  2800.47   115.176   2753.91   162.862   2847.06   162.905   143.349 4.2417  145.755 4.1728  -2.405899      5.950093 
1 1 1 -4  4   4  o 316.140 5.9087  13419.52  500.336   13379.16  707.565   13459.89  707.600   315.663 8.3686  316.616 8.3438  -0.9532471     11.81750 
1 1 1 -4  4   5  o 134.558 2.7833  2426.17   100.312   2404.46   141.810   2447.92   141.916   133.955 3.9524  135.161 3.9200  -1.205658      5.566688 
1 1 1 -4  4   6  o 106.203 2.3767  1511.10   67.609    1506.62   95.563    1515.60   95.665    106.045 3.3644  106.361 3.3580  -0.3158722     4.753480 
1 1 1 -4  4   7  o 207.763 4.0428  5789.33   224.823   5536.45   317.685   6043.04   318.213   203.211 5.8366  212.314 5.5956  -9.103043      8.085605 
1 1 1 -4  4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  4   9  o 321.112 5.9934  13841.83  515.344   13456.16  728.411   14228.35  729.203   316.624 8.5890  325.601 8.3613  -8.977234      11.98677 
1 1 1 -4  4   10 o 365.782 6.8161  17967.67  667.802   18040.69  944.372   17894.63  944.457   366.527 9.6194  365.036 9.6595  1.490875       13.63230 
1 1 1 -4  4   11 o 35.473  1.6612  169.444   15.671    179.599   22.160    159.283   22.166    36.547  2.2750  34.399  2.4212  2.148060       3.322324 
1 1 1 -4  4   12 o 618.909 11.376  51686.25  1885.63   50779.73  2665.87   52593.87  2667.49   613.439 16.225  624.380 15.950  -10.94067      22.75193 
1 1 1 -4  4   13 o 446.520 8.2111  26813.17  982.000   27092.07  1388.87   26534.36  1388.64   448.851 11.552  444.188 11.672  4.662842       16.42212 
1 1 1 -4  4   14 o 59.107  1.8508  468.077   29.294    478.593   41.373    457.503   41.484    59.773  2.5842  58.441  2.6502  1.332214       3.701563 
1 1 1 -4  4   15 f 190.455 3.7782  4864.20   192.713   4949.38   272.461   4778.92   272.613   192.126 5.2946  188.784 5.3913  3.341583       7.556340 
1 1 1 -4  4   16 o 419.099 7.7727  23686.58  872.520   23790.37  1233.81   23582.76  1234.04   420.024 10.967  418.174 11.018  1.849915       15.54544 
1 1 1 -4  4   17 o 363.008 6.7588  17775.04  657.126   18004.76  929.272   17545.29  929.362   365.371 9.4955  360.645 9.6209  4.725830       13.51767 
1 1 1 -4  4   18 o 217.675 4.2159  6369.33   245.782   6271.78   347.277   6467.23   347.902   215.999 6.0025  219.350 5.9215  -3.350708      8.431732 
1 1 1 -4  4   19 o 118.097 3.6773  1871.89   116.194   1998.70   167.357   1753.88   161.449   121.959 5.1232  114.234 5.2765  7.724823       7.354513 
1 1 1 -4  4   20 o 77.033  2.0453  795.714   42.200    796.376   59.506    795.044   59.856    77.066  2.8827  77.001  2.9022  0.6510162E-01  4.090579 
1 1 1 -4  4   21 o 244.105 4.7200  8038.63   308.599   7966.82   436.142   8110.62   436.707   243.006 6.7007  245.203 6.6493  -2.197083      9.439945 
1 1 1 -4  4   22 o 95.844  2.3144  1232.59   59.413    1235.89   83.868    1229.26   84.178    95.974  3.2625  95.714  3.2835  0.2590179      4.628751 
1 1 1 -4  4   23 o 103.625 2.4326  1441.36   67.516    1457.15   95.399    1425.52   95.566    104.195 3.4183  103.055 3.4621  1.140053       4.865285 
1 1 1 -4  4   24 o 112.201 2.5951  1690.56   77.984    1709.00   110.065   1671.97   110.510   112.817 3.6424  111.584 3.6975  1.233101       5.190225 
1 1 1 -4  4   25 o 39.989  1.9000  215.484   20.230    216.912   28.415    214.017   28.807    40.126  2.6589  39.851  2.7149  0.2748566      3.800076 
1 1 1 -4  4   26 o 114.759 2.6218  1770.05   80.585    1777.06   113.702   1762.97   114.230   114.989 3.6917  114.529 3.7237  0.4603119      5.243516 
1 1 1 -4  4   27 o 87.325  2.2771  1024.85   53.255    1037.99   75.076    1011.56   75.555    87.890  3.1891  86.759  3.2514  1.131844       4.554300 
1 1 1 -4  4   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  4   29 o 66.092  2.0373  587.576   36.060    573.259   50.702    602.231   51.295    65.276  2.8999  66.909  2.8622  -1.633102      4.074532 
1 1 1 -4  4   30 o 111.083 2.5515  1668.46   75.877    1728.03   107.238   1608.74   107.373   113.089 3.5403  109.078 3.6751  4.010536       5.102965 
1 1 1 -4  4   31 o 128.053 2.8292  2228.70   96.998    2150.43   136.873   2307.67   137.482   125.764 4.0632  130.341 3.9380  -4.576157      5.658416 
1 1 1 -4  4   32 f 46.770  1.9429  296.369   24.227    288.246   33.935    304.812   34.597    46.112  2.7603  47.428  2.7351  -1.316074      3.885836 
1 1 1 -4  4   33 o 19.207  2.4377  51.689    12.059    46.361    16.908    57.206    17.205    18.141  3.6067  20.273  3.2804  -2.132942      4.875373 
1 1 1 -4  4   34 o 82.638  2.2305  928.816   49.361    904.138   69.498    953.937   70.119    81.519  3.1829  83.757  3.1255  -2.238373      4.460958 
1 1 1 -4  4   35 o 86.423  2.3667  1021.15   54.785    1020.76   77.276    1021.55   77.679    86.411  3.3388  86.435  3.3553  -0.2467346E-01 4.733425 
1 1 1 -4  4   36 o 44.726  2.0820  274.582   24.761    291.154   34.931    257.845   35.104    46.125  2.8412  43.327  3.0442  2.797913       4.164093 
1 1 1 -4  4   37 o 29.550  2.1749  121.383   16.927    126.244   23.604    116.236   24.288    30.205  2.9554  28.895  3.1916  1.310528       4.349765 
1 1 1 -4  4   38 o 21.322  2.6375  65.739    14.424    75.886    20.344    55.482    20.453    23.144  3.3816  19.499  4.0486  3.645197       5.275083 
1 1 1 -4  4   39 o 49.598  2.0771  342.371   27.466    337.057   38.872    347.669   38.814    49.196  2.9638  50.000  2.9108  -0.8044739     4.154112 
1 1 1 -4  4   40 o 11.334  2.9143  14.864    11.730    7.3294    15.786    24.155    17.528    9.6812  3.9194  12.987  4.3140  -3.305730      5.828574 
1 1 1 -4  4   41 o 13.386  3.0327  26.185    12.504    19.918    17.567    32.620    17.802    12.102  4.3065  14.670  4.2713  -2.567694      6.065428 
1 1 1 -4  4   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  4   43 o 10.589  3.2513  4.6894    15.555    1.4523    30.475    5.8299    18.089    11.410  5.0490  9.7679  4.0978  1.642154       6.502675 
1 1 1 -4  4   44 o 17.158  3.7193  51.351    18.152    43.876    35.032    54.094    21.223    15.954  6.0145  18.361  4.3771  -2.407209      7.438632 
1 1 1 -4  5   1  o 243.299 4.6529  7943.04   303.078   7664.93   428.417   8221.68   428.819   239.027 6.6916  247.570 6.4668  -8.543076      9.305728 
1 1 1 -4  5   2  o 196.232 3.8537  5162.92   202.537   5236.23   286.616   5089.80   286.246   197.625 5.4146  194.839 5.4850  2.785736       7.707355 
1 1 1 -4  5   3  o 330.525 6.1418  14674.27  543.509   15175.18  769.135   14174.64  768.142   336.175 8.5418  324.874 8.8275  11.30048       12.28359 
1 1 1 -4  5   4  o 171.275 3.4011  3932.14   156.007   4009.43   220.717   3854.98   220.538   172.958 4.7644  169.592 4.8550  3.366577       6.802225 
1 1 1 -4  5   5  o 301.871 5.6293  12230.38  455.105   12446.71  643.794   12014.30  643.439   304.544 7.8924  299.197 8.0290  5.347595       11.25852 
1 1 1 -4  5   6  o 637.425 11.725  54898.47  2001.74   55519.49  2831.33   54277.84  2830.43   641.060 16.489  633.789 16.673  7.270630       23.44981 
1 1 1 -4  5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  5   8  o 255.789 4.8071  8775.02   329.332   8882.42   465.759   8667.64   465.732   257.356 6.7567  254.221 6.8397  3.134811       9.614288 
1 1 1 -4  5   9  o 320.248 5.9564  13763.84  510.926   13829.30  722.503   13698.35  722.615   321.011 8.4029  319.484 8.4444  1.526642       11.91289 
1 1 1 -4  5   10 o 74.954  1.9760  752.719   39.652    724.013   55.949    781.689   56.205    73.518  2.8412  76.391  2.7469  -2.872734      3.951996 
1 1 1 -4  5   11 o 401.251 7.4147  21632.61  796.754   22093.08  1127.04   21172.58  1126.52   405.533 10.376  396.969 10.595  8.564209       14.82931 
1 1 1 -4  5   12 o 201.043 3.9286  5418.29   211.539   5484.85   299.114   5351.69   299.208   202.279 5.5207  199.806 5.5908  2.472885       7.857204 
1 1 1 -4  5   13 o 132.592 2.8086  2355.85   99.739    2316.57   140.935   2395.26   141.169   131.484 4.0018  133.700 3.9420  -2.215454      5.617286 
1 1 1 -4  5   14 o 429.226 7.9676  24803.86  915.922   25209.02  1295.55   24398.99  1295.07   432.748 11.177  425.703 11.358  7.044922       15.93515 
1 1 1 -4  5   15 o 328.443 6.2034  14507.79  545.716   14628.50  771.745   14387.08  771.772   329.815 8.7360  327.070 8.8097  2.744385       12.40679 
1 1 1 -4  5   16 o 202.423 3.8814  5500.06   210.424   5412.00   297.367   5588.38   297.803   200.797 5.5290  204.050 5.4489  -3.252563      7.762720 
1 1 1 -4  5   17 o 116.398 2.6047  1817.26   81.169    1748.42   114.555   1886.67   115.028   114.181 3.7457  118.615 3.6206  -4.433922      5.209485 
1 1 1 -4  5   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  5   19 o 116.433 2.5693  1819.03   80.119    1785.19   113.112   1853.10   113.500   115.344 3.6612  117.521 3.6057  -2.176826      5.138635 
1 1 1 -4  5   20 o 58.834  1.8604  464.078   29.316    463.962   41.344    464.195   41.577    58.827  2.6239  58.841  2.6380  -0.1440811E-01 3.720771 
1 1 1 -4  5   21 o 146.361 3.0472  2878.08   119.455   2855.33   168.722   2900.95   169.149   145.780 4.3210  146.942 4.2977  -1.162262      6.094352 
1 1 1 -4  5   22 o 143.478 3.0350  2767.19   116.581   2862.68   164.790   2671.52   164.951   145.965 4.2150  140.991 4.3679  4.974579       6.069989 
1 1 1 -4  5   23 o 110.945 2.5576  1652.83   75.990    1686.49   107.316   1618.98   107.616   112.081 3.5747  109.808 3.6589  2.272568       5.115297 
1 1 1 -4  5   24 f 92.801  2.3254  1156.26   57.783    1187.29   81.603    1125.06   81.831    94.053  3.2393  91.549  3.3372  2.504196       4.650745 
1 1 1 -4  5   25 o 102.932 2.4525  1423.87   67.560    1489.59   95.521    1358.09   95.569    105.317 3.3862  100.548 3.5486  4.769676       4.904971 
1 1 1 -4  5   26 o 96.128  2.3519  1241.81   60.525    1190.26   85.259    1294.17   85.936    94.112  3.3823  98.145  3.2690  -4.033043      4.703859 
1 1 1 -4  5   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  5   28 o 12.621  2.7291  21.543    10.186    25.172    13.965    17.418    14.889    13.466  3.7389  11.776  3.9765  1.689964       5.458192 
1 1 1 -4  5   29 o 54.448  1.9219  399.544   27.946    376.327   39.310    423.268   39.737    52.804  2.7893  56.091  2.6449  -3.287514      3.843897 
1 1 1 -4  5   30 o 85.025  2.2205  976.305   50.550    941.594   71.278    1011.43   71.700    83.494  3.1872  86.556  3.0927  -3.062256      4.441061 
1 1 1 -4  5   31 o 81.948  2.2433  908.964   49.238    910.452   69.528    907.466   69.740    82.018  3.1649  81.879  3.1799  0.1386871      4.486506 
1 1 1 -4  5   32 o 13.125  2.6807  24.033    9.9954    26.683    13.905    21.200    14.378    13.761  3.6948  12.488  3.8850  1.272892       5.361405 
1 1 1 -4  5   33 o 89.230  2.3214  1083.21   55.482    1078.85   78.293    1087.61   78.636    89.050  3.2825  89.410  3.2836  -0.3603134     4.642884 
1 1 1 -4  5   34 o 27.243  2.2644  104.318   15.637    132.108   22.119    76.551    22.110    31.104  2.6812  23.381  3.6497  7.722416       4.528718 
1 1 1 -4  5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  5   36 o 25.046  2.3512  87.747    14.906    63.510    20.356    115.768   21.887    21.123  3.7344  28.970  2.8579  -7.846828      4.702488 
1 1 1 -4  5   37 o 23.432  2.5526  78.277    15.452    82.086    21.370    74.103    22.368    24.115  3.4031  22.748  3.8054  1.366770       5.105122 
1 1 1 -4  5   38 o 32.442  2.2068  147.560   18.893    157.831   26.693    137.249   26.746    33.640  2.9938  31.245  3.2431  2.394972       4.413667 
1 1 1 -4  5   39 o 22.883  2.5810  76.225    15.185    85.842    21.402    66.475    21.549    24.503  3.3485  21.262  3.9285  3.240601       5.161939 
1 1 1 -4  5   40 o 37.021  2.1934  193.981   21.540    199.418   30.420    188.513   30.505    37.577  3.0486  36.464  3.1544  1.113686       4.386839 
1 1 1 -4  5   41 o 17.881  3.0148  48.864    14.221    48.603    19.583    49.155    20.685    17.872  4.1676  17.890  4.3573  -0.1763344E-01 6.029500 
1 1 1 -4  5   42 o 12.134  3.1064  18.680    13.556    8.2058    18.919    29.730    19.432    10.296  4.2440  13.972  4.5374  -3.676771      6.212863 
1 1 1 -4  5   43 o 12.730  2.9274  22.011    12.491    7.3573    17.022    39.110    18.387    9.7206  4.0180  15.739  4.2584  -6.018131      5.854753 
1 1 1 -4  6   1  o 229.529 4.3926  7065.65   270.034   6976.42   381.790   7154.97   381.982   228.077 6.2496  230.981 6.1742  -2.904083      8.785103 
1 1 1 -4  6   2  o 298.710 5.5709  11975.69  445.716   11911.70  630.360   12039.67  630.316   297.910 7.8998  299.509 7.8570  -1.599426      11.14179 
1 1 1 -4  6   3  o 58.917  1.7652  465.103   27.849    454.182   39.485    475.915   39.286    58.229  2.5317  59.606  2.4607  -1.377216      3.530478 
1 1 1 -4  6   4  o 402.641 7.4147  21792.70  799.470   21247.92  1130.30   22338.11  1130.95   397.587 10.614  407.695 10.357  -10.10788      14.82944 
1 1 1 -4  6   5  o 470.122 8.6514  29744.19  1089.20   29078.50  1539.88   30410.71  1540.84   464.833 12.368  475.411 12.100  -10.57834      17.30280 
1 1 1 -4  6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  6   7  o 557.949 10.268  41957.87  1534.38   42430.93  2170.27   41485.09  2169.61   561.113 14.440  554.785 14.601  6.327942       20.53521 
1 1 1 -4  6   8  o 616.961 11.333  51367.56  1872.42   52633.67  2648.93   50103.21  2647.08   624.616 15.833  609.307 16.220  15.30957       22.66642 
1 1 1 -4  6   9  o 220.774 4.3091  6537.86   254.601   6851.13   360.287   6225.38   359.833   226.064 5.9501  215.483 6.2345  10.58171       8.618168 
1 1 1 -4  6   10 o 642.101 11.764  55661.82  2022.91   54564.14  2859.82   56761.05  2861.84   635.716 16.795  648.486 16.476  -12.77020      23.52750 
1 1 1 -4  6   11 o 258.149 4.9300  8938.17   340.874   8997.35   482.026   8878.98   482.112   259.005 6.9482  257.293 6.9957  1.711945       9.859906 
1 1 1 -4  6   12 o 235.750 4.4812  7455.34   282.855   7702.22   400.131   7208.75   399.903   239.657 6.2334  231.842 6.4398  7.814743       8.962474 
1 1 1 -4  6   13 o 731.524 13.625  72753.19  2669.53   73385.18  3775.56   72121.38  3775.01   734.749 19.185  728.300 19.352  6.448425       27.24955 
1 1 1 -4  6   14 o 123.994 2.7494  2060.68   91.310    2057.53   128.999   2063.84   129.266   123.899 3.8871  124.089 3.8892  -0.1897888     5.498716 
1 1 1 -4  6   15 o 321.296 6.0686  13899.84  522.179   14181.15  738.542   13618.64  738.403   324.564 8.4954  318.028 8.6684  6.536041       12.13728 
1 1 1 -4  6   16 o 146.097 3.0721  2863.94   120.203   2912.03   169.919   2815.76   170.068   147.327 4.3060  144.867 4.3829  2.460312       6.144207 
1 1 1 -4  6   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  6   18 o 68.868  1.9648  636.098   36.207    600.483   51.009    672.264   51.402    66.923  2.8456  70.814  2.7100  -3.890762      3.929617 
1 1 1 -4  6   19 o 127.015 2.7472  2165.70   93.462    2173.46   132.051   2157.91   132.302   127.244 3.8745  126.786 3.8959  0.4579239      5.494483 
1 1 1 -4  6   20 o 103.138 2.3851  1427.50   65.871    1383.97   92.944    1471.43   93.369    101.556 3.4169  104.720 3.3288  -3.164963      4.770296 
1 1 1 -4  6   21 o 194.783 3.8728  5108.93   202.037   5175.58   285.589   5042.17   285.858   196.062 5.4383  193.504 5.5153  2.558105       7.745558 
1 1 1 -4  6   22 o 82.469  2.2288  912.482   49.230    901.981   69.361    923.143   69.886    81.990  3.1584  82.947  3.1456  -0.9568710     4.457577 
1 1 1 -4  6   23 o 295.882 5.6556  11877.80  448.135   12129.17  633.746   11626.41  633.772   299.053 7.9118  292.710 8.0836  6.344025       11.31116 
1 1 1 -4  6   24 o 64.488  2.0171  558.018   34.828    537.922   49.042    578.464   49.468    63.315  2.8918  65.662  2.8127  -2.346073      4.034105 
1 1 1 -4  6   25 o 113.253 2.6271  1725.07   79.615    1632.27   112.220   1819.12   112.970   110.174 3.8028  116.331 3.6256  -6.156761      5.254128 
1 1 1 -4  6   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  6   27 f 54.884  1.9773  405.461   29.011    411.139   40.893    399.707   41.165    55.310  2.7603  54.458  2.8319  0.8522110      3.954592 
1 1 1 -4  6   28 o 44.563  1.8939  268.035   22.498    262.368   31.700    273.786   31.935    44.084  2.6977  45.042  2.6588  -0.9575653     3.787712 
1 1 1 -4  6   29 o 38.271  1.9112  198.182   19.463    194.485   27.264    202.023   27.792    37.906  2.7031  38.637  2.7026  -0.7310486     3.822360 
1 1 1 -4  6   30 o 35.973  1.9346  175.701   18.480    179.236   25.736    171.938   26.554    36.361  2.6609  35.584  2.8088  0.7768784      3.869108 
1 1 1 -4  6   31 o 22.985  2.2388  72.728    13.314    62.048    18.336    84.639    19.364    21.134  3.3510  24.837  2.9697  -3.703440      4.477545 
1 1 1 -4  6   32 o 58.853  2.0362  470.159   32.015    487.870   45.046    452.083   45.508    60.029  2.8016  57.677  2.9557  2.351433       4.072486 
1 1 1 -4  6   33 o 48.774  1.9948  323.696   25.943    315.346   36.481    332.241   36.902    48.129  2.8425  49.418  2.7994  -1.288761      3.989505 
1 1 1 -4  6   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  6   35 o 35.309  2.0774  171.855   19.406    184.971   27.292    158.442   27.598    36.727  2.7954  33.891  3.0737  2.835987       4.154783 
1 1 1 -4  6   36 o 48.614  2.0711  326.347   26.736    355.588   37.627    296.529   37.996    50.897  2.7705  46.331  3.0793  4.565586       4.142167 
1 1 1 -4  6   37 o 47.465  2.0822  311.960   26.306    291.923   36.863    332.753   37.552    45.868  3.0174  49.062  2.8701  -3.194202      4.164381 
1 1 1 -4  6   38 f 37.862  2.1788  202.188   21.680    230.480   30.492    173.266   30.830    40.712  2.8135  35.012  3.3276  5.700123       4.357606 
1 1 1 -4  6   39 o 10.826  2.7552  9.9816    11.419    -4.6631   15.404    27.848    17.014    7.9303  3.5444  13.723  4.2192  -5.792406      5.510426 
1 1 1 -4  6   40 o 6.7598  2.2450  -13.7460  10.364    -16.5126  14.623    -10.9536  14.691    6.4968  3.0879  7.0228  3.2596  -0.5259509     4.489996 
1 1 1 -4  6   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  6   42 o 10.129  2.5629  2.9713    11.551    -24.5522  16.470    29.615    16.204    6.3842  3.0958  13.874  4.0854  -7.489848      5.125842 
1 1 1 -4  6   43 o 13.388  2.9675  25.138    13.529    5.0897    18.707    47.127    19.591    9.6404  4.1109  17.136  4.2807  -7.495718      5.935033 
1 1 1 -4  7   1  o 281.705 5.2785  10648.47  398.241   10461.71  563.011   10835.47  563.384   279.229 7.5278  284.182 7.4015  -4.953156      10.55697 
1 1 1 -4  7   2  o 328.069 6.1140  14450.23  537.207   14236.94  759.607   14663.66  759.844   325.641 8.7089  330.497 8.5836  -4.855927      12.22792 
1 1 1 -4  7   3  o 329.145 6.1249  14545.15  539.903   14826.11  763.911   14264.73  763.165   332.328 8.5820  325.961 8.7410  6.366852       12.24974 
1 1 1 -4  7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  7   5  o 260.469 6.1467  9266.03   401.172   9578.82   492.181   8646.85   692.472   267.246 6.8758  253.692 10.191  13.55353       12.29342 
1 1 1 -4  7   6  o 222.863 4.2839  6659.03   255.721   6636.27   361.668   6681.79   361.619   222.482 6.0691  223.244 6.0476  -0.7625275     8.567832 
1 1 1 -4  7   7  o 590.651 10.905  47053.43  1724.65   48421.95  2440.08   45687.27  2437.98   599.292 15.201  582.010 15.639  17.28223       21.80949 
1 1 1 -4  7   8  o 119.560 2.5899  1915.18   82.933    1886.09   117.206   1944.35   117.365   118.650 3.6880  120.469 3.6373  -1.819061      5.179883 
1 1 1 -4  7   9  o 577.085 10.633  44895.38  1643.50   44416.49  2323.84   45374.60  2324.68   573.987 15.115  580.184 14.959  -6.197144      21.26614 
1 1 1 -4  7   10 o 577.504 10.605  44983.21  1640.08   46121.64  2320.25   43846.40  2318.59   584.857 14.811  570.151 15.183  14.70618       21.21061 
1 1 1 -4  7   11 o 165.417 3.3663  3667.63   149.134   3607.38   210.806   3728.00   211.009   164.056 4.7974  166.778 4.7236  -2.722275      6.732529 
1 1 1 -4  7   12 o 176.767 3.5436  4189.28   167.760   4118.20   237.098   4260.54   237.399   175.264 5.0506  178.270 4.9718  -3.006012      7.087125 
1 1 1 -4  7   13 o 163.784 3.3060  3597.28   145.006   3675.27   205.015   3519.22   205.125   165.563 4.6231  162.006 4.7271  3.557251       6.612034 
1 1 1 -4  7   14 o 339.051 6.3278  15484.85  574.640   15595.09  812.576   15374.56  812.751   340.265 8.9157  337.837 8.9818  2.428802       12.65553 
1 1 1 -4  7   15 o 186.688 3.6896  4679.79   184.482   4615.64   260.652   4744.17   261.143   185.403 5.2487  187.973 5.1867  -2.569473      7.379125 
1 1 1 -4  7   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  7   17 o 158.964 3.2253  3394.01   137.321   3354.30   193.982   3433.90   194.421   158.030 4.5828  159.899 4.5395  -1.868393      6.450544 
1 1 1 -4  7   18 o 179.626 3.6267  4338.76   174.489   4362.40   246.611   4315.06   246.919   180.119 5.1117  179.134 5.1462  0.9848022      7.253455 
1 1 1 -4  7   19 o 223.597 4.3535  6740.00   260.602   6484.48   368.091   6996.79   369.006   219.321 6.2659  227.872 6.0458  -8.550644      8.707085 
1 1 1 -4  7   20 o 70.673  2.0116  669.901   38.061    643.133   53.579    697.168   54.076    69.246  2.8888  72.100  2.8002  -2.853584      4.023154 
1 1 1 -4  7   21 o 124.174 2.7823  2071.15   92.531    2101.18   130.669   2040.94   131.049   125.080 3.9003  123.268 3.9691  1.812378       5.564699 
1 1 1 -4  7   22 o 102.926 2.4236  1422.02   66.811    1400.26   94.201    1444.04   94.773    102.133 3.4435  103.719 3.4114  -1.586464      4.847215 
1 1 1 -4  7   23 o 125.251 2.8401  2108.52   95.280    2089.18   134.433   2128.04   135.061   124.673 4.0257  125.829 4.0074  -1.156136      5.680284 
1 1 1 -4  7   24 o 63.993  2.0015  549.722   34.299    561.055   48.427    538.313   48.586    64.657  2.7963  63.330  2.8643  1.327248       4.002904 
1 1 1 -4  7   25 o 31.169  1.9834  131.770   16.323    143.669   23.096    119.894   23.073    32.605  2.6679  29.733  2.9355  2.871849       3.966734 
1 1 1 -4  7   26 o 46.283  1.9698  288.854   24.282    272.433   34.064    305.817   34.622    44.934  2.8450  47.632  2.7250  -2.697746      3.939531 
1 1 1 -4  7   27 o 51.097  1.9421  352.191   26.480    355.584   37.266    348.730   37.632    51.350  2.7191  50.844  2.7738  0.5059090      3.884270 
1 1 1 -4  7   28 o 32.966  1.9615  147.361   17.157    146.232   24.048    148.531   24.484    32.839  2.7597  33.094  2.7881  -0.2547989     3.922940 
1 1 1 -4  7   29 o 47.816  1.9311  309.468   24.609    322.751   34.767    296.131   34.838    48.859  2.6667  46.772  2.7936  2.086525       3.862121 
1 1 1 -4  7   30 o 37.384  1.9438  189.819   19.320    191.845   27.059    187.712   27.595    37.597  2.7051  37.172  2.7920  0.4254227      3.887506 
1 1 1 -4  7   31 o 56.676  1.9897  434.730   30.204    435.744   42.539    433.699   42.893    56.746  2.7987  56.606  2.8290  0.1396866      3.979474 
1 1 1 -4  7   32 f 35.422  2.0244  171.109   18.945    149.982   26.309    193.863   27.304    33.106  2.9995  37.738  2.7194  -4.631573      4.048733 
1 1 1 -4  7   33 o 11.527  2.6345  16.459    10.036    27.091    14.028    5.3104    14.364    13.814  3.7119  9.2399  3.7395  4.573666       5.268918 
1 1 1 -4  7   34 o 28.252  2.1918  110.285   16.306    107.072   22.672    113.727   23.468    27.822  3.0948  28.681  3.1044  -0.8583679     4.383502 
1 1 1 -4  7   35 o 48.040  2.0775  318.490   26.446    356.130   37.373    280.745   37.426    50.982  2.7470  45.099  3.1174  5.882584       4.155027 
1 1 1 -4  7   36 o 53.736  2.1093  399.453   30.214    413.727   42.461    384.812   43.002    54.755  2.9056  52.718  3.0585  2.037140       4.218642 
1 1 1 -4  7   37 o 30.149  2.3208  129.342   18.096    154.020   25.601    104.701   25.582    33.241  2.9046  27.058  3.6206  6.183008       4.641668 
1 1 1 -4  7   38 o 11.898  2.7735  15.412    11.928    -2.9829   16.566    35.217    17.189    8.4539  3.7326  15.342  4.1031  -6.888269      5.546916 
1 1 1 -4  7   39 o 15.205  2.9592  35.014    12.560    40.758    17.592    29.042    17.938    16.454  4.0249  13.957  4.3390  2.497301       5.918330 
1 1 1 -4  7   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  7   41 o 8.7812  2.7018  0.1579    11.889    -1.3789   17.066    1.6069    16.572    8.6526  3.8058  8.9098  3.8358  -0.2571688     5.403524 
1 1 1 -4  7   42 o 12.828  3.1020  23.812    13.249    14.231    18.188    34.643    19.338    10.932  4.2780  14.725  4.4931  -3.792233      6.203928 
1 1 1 -4  8   1  o 205.979 4.0041  5688.10   220.901   5752.79   312.376   5623.40   312.425   207.151 5.6299  204.806 5.6953  2.345398       8.008248 
1 1 1 -4  8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  8   3  o 687.867 18.061  64650.89  3327.34   65659.48  4708.82   63645.09  4702.33   693.325 25.356  682.410 25.726  10.91406       36.12186 
1 1 1 -4  8   4  o 369.169 6.8438  18303.56  676.721   18408.80  957.276   18198.43  956.780   370.233 9.6532  368.106 9.7040  2.126953       13.68768 
1 1 1 -4  8   5  o 323.286 6.0131  14026.91  520.677   14122.62  736.587   13931.32  736.111   324.391 8.4775  322.182 8.5301  2.208771       12.02621 
1 1 1 -4  8   6  o 294.339 5.5225  11623.17  435.366   11750.84  615.912   11495.68  615.490   295.957 7.7697  292.721 7.8502  3.236206       11.04502 
1 1 1 -4  8   7  o 233.077 4.4486  7284.75   277.653   7481.53   392.921   7088.49   392.402   236.224 6.2100  229.929 6.3716  6.295486       8.897273 
1 1 1 -4  8   8  o 529.067 9.7880  37701.21  1387.02   37430.28  1961.36   37972.25  1961.73   527.154 13.891  530.979 13.793  -3.824036      19.57591 
1 1 1 -4  8   9  o 431.989 7.9906  25096.77  924.437   25598.68  1307.71   24595.41  1306.99   436.324 11.190  427.654 11.410  8.669708       15.98119 
1 1 1 -4  8   10 f 265.207 4.9860  9436.63   354.173   9503.50   500.825   9369.73   500.928   266.148 7.0254  264.265 7.0770  1.883179       9.971970 
1 1 1 -4  8   11 o 511.049 9.4747  35252.28  1296.92   35150.55  1833.91   35354.05  1834.34   510.306 13.417  511.792 13.381  -1.485718      18.94934 
1 1 1 -4  8   12 o 88.851  2.1832  1057.94   51.942    1027.25   73.326    1088.86   73.589    87.556  3.1267  90.145  3.0478  -2.588890      4.366355 
1 1 1 -4  8   13 o 127.063 2.6889  2164.56   91.513    2149.50   129.295   2179.67   129.542   126.620 3.8123  127.506 3.7931  -0.8860855     5.377857 
1 1 1 -4  8   14 o 102.124 2.3497  1398.40   64.253    1355.81   90.698    1441.32   91.038    100.561 3.3673  103.687 3.2780  -3.125732      4.699359 
1 1 1 -4  8   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  8   16 o 141.151 2.9635  2674.74   112.038   2653.47   158.252   2696.12   158.640   140.587 4.2026  141.715 4.1793  -1.127411      5.926929 
1 1 1 -4  8   17 o 109.988 2.4942  1623.94   73.434    1688.99   103.794   1558.75   103.909   112.198 3.4538  107.777 3.5995  4.421333       4.988473 
1 1 1 -4  8   18 o 248.775 4.7437  8351.45   316.036   8162.83   446.544   8540.75   447.343   245.941 6.7787  251.609 6.6378  -5.668167      9.487404 
1 1 1 -4  8   19 o 253.600 4.9979  8691.98   339.328   9002.88   479.942   8381.23   479.822   258.176 6.9404  249.025 7.1936  9.151199       9.995869 
1 1 1 -4  8   20 o 34.295  2.0296  159.071   18.406    143.632   25.889    174.853   26.175    32.584  2.9999  36.005  2.7346  -3.420452      4.059247 
1 1 1 -4  8   21 o 139.827 3.0171  2627.90   112.974   2557.39   159.403   2699.06   160.139   137.937 4.3145  141.717 4.2188  -3.780472      6.034300 
1 1 1 -4  8   22 o 77.075  2.1186  797.345   43.724    817.860   61.760    776.729   61.911    78.072  2.9534  76.079  3.0382  1.992760       4.237102 
1 1 1 -4  8   23 o 44.709  1.8989  269.191   22.631    270.902   31.792    267.433   32.222    44.856  2.6580  44.562  2.7125  0.2941704      3.797724 
1 1 1 -4  8   24 o 88.545  2.2704  1053.62   53.827    1018.15   75.857    1089.59   76.392    87.040  3.2538  90.050  3.1672  -3.010033      4.540716 
1 1 1 -4  8   25 o 54.430  2.8918  395.256   41.451    477.050   63.029    332.919   55.025    59.355  3.9877  49.504  4.1891  9.850777       5.783649 
1 1 1 -4  8   26 o 123.878 2.7782  2072.26   92.177    2090.36   130.136   2054.04   130.580   124.427 3.9048  123.329 3.9530  1.098030       5.556364 
1 1 1 -4  8   27 o 121.844 2.7832  2009.79   90.819    2040.52   128.178   1978.81   128.697   122.792 3.8972  120.896 3.9744  1.895950       5.566314 
1 1 1 -4  8   28 o 64.917  2.0272  568.412   35.242    551.599   49.535    585.643   50.149    63.941  2.8923  65.893  2.8414  -1.952084      4.054485 
1 1 1 -4  8   29 o 86.148  2.2804  1005.41   52.605    1030.05   74.254    980.584   74.535    87.221  3.1784  85.074  3.2709  2.147430       4.560858 
1 1 1 -4  8   30 o 66.748  2.0939  604.060   37.380    638.915   52.724    568.836   53.003    68.710  2.8649  64.786  3.0544  3.923767       4.187732 
1 1 1 -4  8   31 o 87.514  2.3401  1042.31   54.850    1046.90   77.258    1037.65   77.886    87.717  3.2883  87.311  3.3305  0.4060211      4.680260 
1 1 1 -4  8   32 o 38.198  2.0063  199.077   20.360    187.726   28.467    210.965   29.132    37.064  2.8903  39.331  2.7833  -2.267002      4.012536 
1 1 1 -4  8   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  8   34 o 37.700  2.0627  195.512   20.654    187.061   29.010    204.201   29.413    36.853  2.9640  38.547  2.8694  -1.693836      4.125397 
1 1 1 -4  8   35 o 56.199  2.1044  435.593   31.534    410.985   44.197    461.111   45.006    54.545  3.0372  57.854  2.9137  -3.308987      4.208844 
1 1 1 -4  8   36 o 11.683  2.8113  17.139    11.155    26.960    15.634    6.9529    15.922    13.628  4.0128  9.7379  3.9384  3.890072       5.622638 
1 1 1 -4  8   37 o 15.383  2.8944  35.245    12.316    43.053    17.452    27.498    17.384    17.049  3.9055  13.716  4.2727  3.333760       5.788735 
1 1 1 -4  8   38 o 39.591  2.1522  220.896   22.627    210.111   31.859    231.872   32.142    38.568  3.1105  40.615  2.9753  -2.046329      4.304354 
1 1 1 -4  8   39 o 8.8906  2.6382  -1.4052   11.555    -15.7496  16.274    13.181    16.410    7.0469  3.3217  10.734  4.0996  -3.687403      5.276424 
1 1 1 -4  8   40 o 14.530  3.1969  32.047    13.846    26.556    18.972    38.304    20.253    13.379  4.4889  15.681  4.5530  -2.301991      6.393744 
1 1 1 -4  8   41 o 12.424  2.9957  21.706    12.661    32.977    17.825    10.230    17.987    14.511  4.2881  10.338  4.1843  4.173038       5.991335 
1 1 1 -4  9   1  o 162.801 3.3004  3551.97   143.915   3520.23   203.358   3583.81   203.695   162.072 4.6845  163.530 4.6504  -1.457809      6.600836 
1 1 1 -4  9   2  o 445.503 8.2660  26690.39  986.343   26490.36  1394.76   26890.51  1395.04   443.826 11.733  447.179 11.647  -3.353027      16.53209 
1 1 1 -4  9   3  o 475.136 8.7555  30371.64  1114.26   30247.80  1575.81   30495.47  1575.80   474.163 12.408  476.109 12.357  -1.946136      17.51105 
1 1 1 -4  9   4  o 401.623 7.4042  21671.51  796.456   21955.85  1126.76   21387.58  1125.96   404.264 10.406  398.982 10.536  5.281708       14.80848 
1 1 1 -4  9   5  o 341.931 6.4428  15700.64  589.758   15111.42  833.794   16290.57  834.292   335.494 9.2787  348.368 8.9411  -12.87436      12.88552 
1 1 1 -4  9   6  o 215.158 4.1487  6207.41   238.992   6417.29   338.305   5998.32   337.669   218.793 5.7728  211.523 5.9600  7.269592       8.297363 
1 1 1 -4  9   7  o 361.735 6.7036  17573.11  649.509   17628.43  918.711   17517.83  918.377   362.305 9.4671  361.164 9.4935  1.141113       13.40717 
1 1 1 -4  9   8  o 290.274 5.4924  11308.28  426.977   11529.33  604.147   11087.69  603.527   293.114 7.6951  287.435 7.8391  5.679596       10.98488 
1 1 1 -4  9   9  f 443.696 8.2105  26503.43  975.763   26516.94  1379.99   26489.91  1379.88   443.809 11.609  443.582 11.614  0.2272949      16.42102 
1 1 1 -4  9   10 o 98.842  2.3487  1309.10   62.180    1306.67   87.902    1311.54   87.970    98.750  3.3233  98.934  3.3197  -0.1837006     4.697310 
1 1 1 -4  9   11 o 385.470 7.1545  20026.91  738.589   19639.97  1044.07   20414.51  1044.98   381.720 10.212  389.219 10.024  -7.499664      14.30909 
1 1 1 -4  9   12 o 137.499 2.9255  2535.51   107.740   2552.06   152.255   2518.90   152.480   137.949 4.1206  137.049 4.1538  0.9006653      5.850959 
1 1 1 -4  9   13 o 346.006 6.5076  16172.35  603.082   16343.51  852.888   16001.20  852.885   347.853 9.1539  344.160 9.2521  3.693481       13.01522 
1 1 1 -4  9   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  9   15 o 254.008 4.8526  8698.21   330.131   8580.54   466.619   8816.15   467.132   252.277 6.9055  255.739 6.8195  -3.461304      9.705251 
1 1 1 -4  9   16 o 308.384 5.8256  12870.02  481.198   12890.99  680.357   12849.04  680.676   308.638 8.2300  308.129 8.2474  0.5093689      11.65129 
1 1 1 -4  9   17 o 329.380 6.2835  14721.31  554.348   14641.23  783.684   14801.51  784.249   328.473 8.9074  330.286 8.8649  -1.813538      12.56697 
1 1 1 -4  9   18 o 126.322 2.7333  2143.12   92.437    2062.23   130.439   2224.73   131.014   123.922 3.9298  128.723 3.7999  -4.801491      5.466512 
1 1 1 -4  9   19 o 129.447 2.8493  2251.30   98.760    2313.38   139.551   2189.01   139.785   131.240 3.9699  127.653 4.0883  3.587746       5.698594 
1 1 1 -4  9   20 o 124.120 2.7606  2069.96   91.738    2135.95   129.621   2003.74   129.854   126.109 3.8374  122.131 3.9695  3.977402       5.521161 
1 1 1 -4  9   21 o 97.293  2.3466  1270.83   61.129    1224.29   86.115    1318.09   86.787    95.494  3.3668  99.092  3.2698  -3.597549      4.693286 
1 1 1 -4  9   22 o 50.347  1.9018  341.095   25.551    342.743   35.912    339.405   36.361    50.472  2.6658  50.221  2.7132  0.2511787      3.803681 
1 1 1 -4  9   23 o 71.170  2.1030  680.605   40.068    702.604   56.492    658.336   56.838    72.332  2.9159  70.008  3.0311  2.323456       4.205958 
1 1 1 -4  9   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  9   25 o 136.710 2.9523  2525.65   108.106   2505.25   152.628   2546.20   153.143   136.153 4.1852  137.267 4.1653  -1.114090      5.904697 
1 1 1 -4  9   26 o 69.114  2.1158  643.781   39.151    664.745   55.292    622.701   55.444    70.251  2.9385  67.978  3.0451  2.272308       4.231666 
1 1 1 -4  9   27 o 148.641 3.1834  3010.25   126.737   3034.87   178.989   2985.49   179.478   149.265 4.4769  148.018 4.5270  1.247421       6.366808 
1 1 1 -4  9   28 o 38.752  1.9381  203.612   19.918    182.608   27.749    225.935   28.608    36.662  2.8482  40.842  2.6290  -4.180534      3.876106 
1 1 1 -4  9   29 o 52.556  1.9764  374.471   27.712    360.968   38.932    388.338   39.454    51.585  2.8285  53.526  2.7613  -1.941078      3.952850 
1 1 1 -4  9   30 o 47.902  2.0092  312.376   25.611    332.092   36.064    292.315   36.378    49.460  2.7328  46.343  2.9460  3.117577       4.018323 
1 1 1 -4  9   31 o 68.535  2.1179  638.554   38.810    590.367   54.429    688.393   55.353    65.873  3.0848  71.196  2.9027  -5.322792      4.235767 
1 1 1 -4  9   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  9   33 o 59.013  2.1070  477.014   33.247    480.083   46.975    473.934   47.061    59.247  2.9602  58.779  2.9992  0.4677925      4.213955 
1 1 1 -4  9   34 o 10.707  2.8352  12.422    11.009    9.6569    15.240    15.439    15.921    10.111  3.9271  11.304  4.0905  -1.192764      5.670476 
1 1 1 -4  9   35 o 31.698  2.1784  140.185   18.172    123.933   25.254    157.633   26.168    29.718  3.2244  33.679  2.9300  -3.960886      4.356778 
1 1 1 -4  9   36 o 15.196  2.8033  33.383    12.023    20.194    16.430    48.585    17.640    12.175  4.1768  18.218  3.7402  -6.043461      5.606669 
1 1 1 -4  9   37 o 11.299  2.9570  15.687    11.837    15.216    16.107    16.239    17.456    11.112  4.0999  11.486  4.2621  -0.3734684     5.913929 
1 1 1 -4  9   38 o 8.7607  2.6400  1.8176    10.929    3.9927    15.306    -0.4448   15.611    9.0330  3.7781  8.4883  3.6885  0.5446987      5.280069 
1 1 1 -4  9   39 o 11.360  3.1258  5.8787    14.027    -7.4833   17.208    32.346    24.218    8.0533  3.6591  14.667  5.0688  -6.613691      6.251500 
1 1 1 -4  9   40 o 23.114  2.8570  82.702    16.752    99.406    23.156    64.363    24.264    26.052  3.3996  20.177  4.5927  5.874475       5.714023 
1 1 1 -4  10  1  o 355.336 6.6447  16961.02  631.968   16208.66  892.978   17715.95  894.500   347.418 9.5962  363.254 9.1935  -15.83527      13.28938 
1 1 1 -4  10  2  o 69.575  1.9467  648.476   36.272    635.750   51.283    661.215   51.310    68.891  2.7792  70.258  2.7266  -1.366463      3.893358 
1 1 1 -4  10  3  o 282.200 5.3084  10682.85  401.243   10714.27  567.558   10651.45  567.329   282.615 7.4977  281.784 7.5167  0.8308716      10.61680 
1 1 1 -4  10  4  o 559.147 10.299  42134.62  1542.51   42045.48  2181.56   42223.73  2181.32   558.552 14.582  559.742 14.549  -1.190491      20.59893 
1 1 1 -4  10  5  o 459.716 8.4890  28431.27  1045.19   27979.29  1478.00   28883.39  1478.25   456.045 12.100  463.387 11.910  -7.342072      16.97807 
1 1 1 -4  10  6  f 339.233 6.3369  15452.92  575.786   15452.04  814.483   15453.81  814.086   339.223 8.9641  339.243 8.9592  -0.1995850E-01 12.67372 
1 1 1 -4  10  7  o 62.990  1.8940  531.542   31.945    549.734   45.339    513.610   45.015    64.061  2.6424  61.920  2.7142  2.140976       3.788016 
1 1 1 -4  10  8  o 362.707 6.7743  17688.85  658.131   17683.30  930.873   17694.39  930.603   362.650 9.5833  362.765 9.5775  -0.1146545     13.54868 
1 1 1 -4  10  9  o 241.752 4.5789  7845.40   296.465   7716.32   419.228   7974.53   419.300   239.759 6.5281  243.746 6.4224  -3.987549      9.157708 
1 1 1 -4  10  10 f 333.601 6.2024  14986.40  554.032   15432.62  783.900   14541.05  783.141   338.589 8.6437  328.612 8.8975  9.976227       12.40478 
1 1 1 -4  10  11 o 370.307 6.9031  18521.21  684.569   18927.45  968.399   18115.41  967.854   374.400 9.6567  366.215 9.8670  8.185272       13.80616 
1 1 1 -4  10  12 o 184.992 3.6097  4596.28   178.848   4532.50   252.828   4660.16   253.030   183.704 5.1383  186.279 5.0713  -2.575958      7.219424 
1 1 1 -4  10  13 o 63.608  3.9582  545.030   67.103    545.030   67.103    0.0000    0.0000    63.608  3.9582  ?       ?       ?              ?        
1 1 1 -4  10  14 o 86.897  2.1747  1012.96   50.598    1043.55   71.475    982.232   71.637    88.215  3.0250  85.580  3.1252  2.634590       4.349402 
1 1 1 -4  10  15 o 169.138 3.3892  3846.11   153.458   3693.06   216.682   4000.12   217.365   165.750 4.8807  172.526 4.7038  -6.775879      6.778389 
1 1 1 -4  10  16 o 87.072  2.1939  1016.97   51.161    996.539   72.148    1037.64   72.558    86.191  3.1252  87.952  3.0800  -1.761383      4.387835 
1 1 1 -4  10  17 o 151.651 3.1773  3091.25   129.033   3012.23   182.169   3170.80   182.792   149.700 4.5432  153.602 4.4429  -3.901917      6.354565 
1 1 1 -4  10  18 o 220.844 4.3235  6576.61   255.733   6490.86   361.314   6662.69   362.008   219.393 6.1486  222.295 6.0799  -2.901962      8.646992 
1 1 1 -4  10  19 o 142.700 2.9913  2737.25   114.301   2808.71   161.496   2665.52   161.796   144.574 4.1705  140.827 4.2894  3.747101       5.982586 
1 1 1 -4  10  20 o 171.725 3.5167  3970.90   161.742   4018.95   228.528   3922.67   228.949   172.773 4.9383  170.678 5.0081  2.094910       7.033319 
1 1 1 -4  10  21 o 147.845 3.1135  2941.95   123.296   2934.96   174.092   2948.99   174.643   147.669 4.4015  148.021 4.4049  -0.3518982     6.227083 
1 1 1 -4  10  22 o 106.373 2.4941  1521.57   71.040    1475.69   100.195   1567.95   100.740   104.755 3.5709  107.991 3.4828  -3.235748      4.988104 
1 1 1 -4  10  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  10  24 o 128.251 2.8833  2221.78   99.040    2247.98   139.844   2195.42   140.284   129.018 4.0467  127.485 4.1083  1.533394       5.766646 
1 1 1 -4  10  25 o 59.366  1.9592  474.408   31.126    448.864   43.754    500.581   44.289    57.742  2.8290  60.991  2.7111  -3.248779      3.918344 
1 1 1 -4  10  26 o 40.651  1.9091  223.571   20.653    212.176   28.957    235.371   29.466    39.585  2.7481  41.717  2.6508  -2.132374      3.818198 
1 1 1 -4  10  27 o 48.451  1.9306  317.680   24.949    309.891   34.947    325.775   35.629    47.843  2.7385  49.060  2.7220  -1.217560      3.861175 
1 1 1 -4  10  28 o 58.834  2.0161  469.020   31.692    486.735   44.661    451.051   44.980    60.005  2.7787  57.664  2.9218  2.341221       4.032156 
1 1 1 -4  10  29 f 96.222  2.4285  1260.42   62.584    1268.76   88.160    1251.95   88.858    96.555  3.4088  95.890  3.4597  0.6644363      4.856906 
1 1 1 -4  10  30 o 38.580  2.0027  202.968   20.514    188.045   28.747    218.452   29.284    37.107  2.9158  40.053  2.7462  -2.945934      4.005452 
1 1 1 -4  10  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  10  32 o 20.152  2.5442  57.562    13.227    57.432    18.555    57.696    18.861    20.136  3.5711  20.168  3.6247  -0.3203964E-01 5.088307 
1 1 1 -4  10  33 o 7.9383  2.4046  -2.3262   9.5341    -10.6557  13.422    6.1560    13.545    6.7571  3.1290  9.1195  3.6521  -2.362399      4.809225 
1 1 1 -4  10  34 o 34.278  2.1272  163.324   19.323    162.189   26.890    164.536   27.787    34.171  2.9674  34.385  3.0487  -0.2142830     4.254408 
1 1 1 -4  10  35 o 26.581  2.4255  100.633   16.486    77.611    22.705    126.303   23.976    23.147  3.7936  30.015  3.0235  -6.867523      4.851091 
1 1 1 -4  10  36 o 41.880  2.1607  246.815   24.014    261.239   33.670    231.883   34.259    43.214  2.9262  40.547  3.1800  2.666840       4.321412 
1 1 1 -4  10  37 o 29.100  2.3262  120.928   17.778    112.291   24.854    129.978   25.441    27.973  3.3861  30.227  3.1905  -2.254469      4.652458 
1 1 1 -4  10  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  10  39 o 17.808  3.0132  49.140    14.184    47.640    19.930    50.679    20.190    17.517  4.2835  18.100  4.2390  -0.5834827     6.026457 
1 1 1 -4  10  40 o 23.954  2.7600  87.726    17.089    88.463    23.855    86.949    24.492    24.120  3.8198  23.788  3.9848  0.3311424      5.519951 
1 1 1 -4  11  1  o 133.566 2.8329  2390.80   101.322   2450.07   143.172   2331.34   143.410   135.225 3.9529  131.906 4.0590  3.318832       5.665773 
1 1 1 -4  11  2  o 171.161 3.3989  3926.27   155.819   3958.97   220.363   3893.58   220.360   171.874 4.7867  170.447 4.8267  1.426468       6.797806 
1 1 1 -4  11  3  o 556.040 10.279  41684.41  1530.89   41841.47  2165.23   41527.43  2164.77   557.093 14.511  554.986 14.563  2.107849       20.55798 
1 1 1 -4  11  4  o 211.738 4.1451  6013.23   234.937   6270.58   332.686   5757.22   331.818   216.263 5.7433  207.212 5.9785  9.051147       8.290277 
1 1 1 -4  11  5  o 497.306 9.2051  33329.18  1226.14   33312.97  1734.27   33345.39  1733.78   497.184 13.023  497.428 13.013  -0.2442932     18.41012 
1 1 1 -4  11  6  f 165.000 3.3340  3649.58   147.345   3631.81   208.573   3667.29   208.184   164.599 4.7309  165.402 4.6991  -0.8029480     6.668063 
1 1 1 -4  11  7  o 445.273 8.2318  26737.24  981.755   26570.54  1388.45   26903.92  1388.38   443.875 11.678  446.671 11.605  -2.795441      16.46357 
1 1 1 -4  11  8  o 322.744 6.0624  14015.67  524.058   13883.49  741.164   14147.83  741.095   321.215 8.6145  324.273 8.5325  -3.057983      12.12488 
1 1 1 -4  11  9  f 125.106 2.6720  2098.55   89.536    2086.51   126.719   2110.54   126.527   124.748 3.7925  125.465 3.7651  -0.7172775     5.344003 
1 1 1 -4  11  10 o 160.477 3.3761  3456.72   145.119   3451.66   205.353   3461.76   205.104   160.360 4.7810  160.595 4.7682  -0.2353821     6.752292 
1 1 1 -4  11  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  11  12 o 277.685 5.2645  10403.86  391.550   10323.79  553.605   10484.01  553.867   276.609 7.4721  278.762 7.4179  -2.153168      10.52894 
1 1 1 -4  11  13 o 37.112  1.7348  185.427   17.147    185.639   24.154    185.211   24.346    37.134  2.4420  37.090  2.4647  0.4470825E-01  3.469618 
1 1 1 -4  11  14 f 27.234  1.8144  100.307   13.074    96.603    18.372    104.107   18.608    26.717  2.6003  27.752  2.5312  -1.035036      3.628817 
1 1 1 -4  11  15 o 48.441  1.8110  315.606   23.402    325.941   33.034    305.194   33.158    49.243  2.5129  47.639  2.6085  1.604149       3.622030 
1 1 1 -4  11  16 o 62.393  1.9572  522.050   32.707    515.526   46.124    528.649   46.387    62.001  2.7774  62.786  2.7584  -0.7847519     3.914391 
1 1 1 -4  11  17 o 23.976  2.4418  80.261    14.726    103.444   20.900    57.404    20.753    27.623  2.8665  20.328  3.9537  7.294939       4.883509 
1 1 1 -4  11  18 o 102.520 2.4237  1410.93   66.549    1424.06   93.906    1397.69   94.325    103.001 3.4038  102.039 3.4512  0.9613953      4.847335 
1 1 1 -4  11  19 o 263.165 5.1421  9389.86   362.063   9894.90   512.174   8885.39   511.893   270.325 7.0736  256.005 7.4652  14.31998       10.28426 
1 1 1 -4  11  20 o 87.352  2.2565  1024.87   52.781    1048.77   74.464    1000.74   74.825    88.379  3.1456  86.325  3.2361  2.054031       4.513038 
1 1 1 -4  11  21 o 102.372 2.4520  1409.09   67.233    1416.34   94.828    1401.75   95.336    102.639 3.4494  102.105 3.4860  0.5341797      4.904086 
1 1 1 -4  11  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  11  23 o 34.084  1.9338  157.358   17.473    167.620   24.697    147.072   24.726    35.217  2.6373  32.951  2.8289  2.266350       3.867570 
1 1 1 -4  11  24 o 44.716  1.9324  270.075   23.004    252.477   32.257    288.288   32.816    43.219  2.8016  46.214  2.6624  -2.994480      3.864895 
1 1 1 -4  11  25 o 39.608  1.9442  212.909   20.416    234.137   28.897    191.753   28.848    41.615  2.6056  37.601  2.8863  4.014088       3.888469 
1 1 1 -4  11  26 o 34.049  1.9374  157.491   17.512    160.921   24.627    153.982   24.907    34.434  2.6915  33.663  2.7874  0.7716866      3.874780 
1 1 1 -4  11  27 o 50.646  1.9481  347.583   26.314    333.025   36.948    362.568   37.487    49.558  2.7949  51.734  2.7148  -2.175644      3.896297 
1 1 1 -4  11  28 f 77.926  2.1940  824.041   45.790    832.521   64.588    815.471   64.927    78.337  3.0782  77.515  3.1272  0.8222580      4.387983 
1 1 1 -4  11  29 o 49.587  1.9968  334.484   26.410    331.400   37.147    337.636   37.555    49.356  2.8217  49.818  2.8261  -0.4624176     3.993556 
1 1 1 -4  11  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  11  31 o 37.190  2.0431  189.921   20.177    195.331   28.327    184.350   28.747    37.751  2.8218  36.628  2.9553  1.122936       4.086105 
1 1 1 -4  11  32 o 16.372  2.8537  39.006    12.550    46.563    17.727    31.412    17.770    17.981  3.7997  14.763  4.2586  3.218298       5.707301 
1 1 1 -4  11  33 o 18.981  2.7618  52.312    13.573    49.575    19.074    55.120    19.320    18.443  3.9781  19.518  3.8322  -1.075838      5.523671 
1 1 1 -4  11  34 o 25.824  2.4069  95.265    16.105    106.168   22.594    84.002    22.964    27.469  3.1266  24.179  3.6604  3.289824       4.813895 
1 1 1 -4  11  35 o 12.755  3.0160  22.825    12.119    20.553    16.731    25.332    17.577    12.244  4.2140  13.267  4.3158  -1.022309      6.031931 
1 1 1 -4  11  36 o 19.181  2.8939  56.708    14.554    74.167    20.121    37.552    21.076    22.666  3.4207  15.696  4.6687  6.970089       5.787762 
1 1 1 -4  11  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  11  38 o 20.093  2.9311  61.504    15.244    59.157    21.130    64.052    22.015    19.688  4.1384  20.499  4.1519  -0.8107433     5.862108 
1 1 1 -4  11  39 o 15.101  3.2435  36.385    14.257    34.430    19.529    38.617    20.861    14.715  4.5195  15.486  4.6535  -0.7708941     6.487037 
1 1 1 -4  12  1  f 523.526 9.6927  36938.70  1359.15   37125.38  1922.07   36752.00  1922.19   524.858 13.672  522.195 13.743  2.662964       19.38539 
1 1 1 -4  12  2  o 256.386 4.8536  8818.22   333.305   8763.24   471.224   8873.27   471.505   255.585 6.8834  257.187 6.8446  -1.602081      9.707202 
1 1 1 -4  12  3  o 156.289 3.2471  3274.03   135.924   3245.13   192.251   3302.91   192.201   155.599 4.6129  156.979 4.5711  -1.380447      6.494151 
1 1 1 -4  12  4  o 75.725  2.0547  768.220   41.669    785.362   59.130    751.309   58.731    76.564  2.8833  74.886  2.9281  1.678703       4.109384 
1 1 1 -4  12  5  o 325.473 6.0976  14241.66  531.570   14174.70  751.947   14308.56  751.562   324.704 8.6459  326.241 8.6008  -1.536194      12.19527 
1 1 1 -4  12  6  o 140.617 2.9706  2651.00   111.885   2672.20   158.497   2629.95   157.963   141.178 4.1915  140.056 4.2108  1.121216       5.941299 
1 1 1 -4  12  7  o 531.438 9.8683  38388.54  1404.67   38718.14  1986.96   38059.24  1986.04   533.750 13.898  529.125 14.013  4.625183       19.73666 
1 1 1 -4  12  8  o 39.006  1.7207  204.640   17.886    208.746   25.436    200.624   25.154    39.395  2.4223  38.616  2.4445  0.7786293      3.441409 
1 1 1 -4  12  9  o 180.865 3.5779  4393.35   173.328   4419.13   245.365   4367.67   244.883   181.395 5.0501  180.334 5.0698  1.061279       7.155841 
1 1 1 -4  12  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  12  11 o 99.065  2.3465  1316.60   62.236    1364.05   88.198    1269.54   87.834    100.846 3.2652  97.285  3.3708  3.561081       4.692950 
1 1 1 -4  12  12 o 169.133 3.4222  3845.11   155.011   3919.06   219.335   3771.31   219.102   170.763 4.7954  167.503 4.8835  3.260605       6.844340 
1 1 1 -4  12  13 o 202.006 3.9897  5493.90   215.849   5398.90   305.112   5589.08   305.403   200.249 5.6885  203.763 5.5958  -3.513962      7.979471 
1 1 1 -4  12  14 o 176.479 3.5599  4190.06   168.229   4300.61   237.934   4079.56   237.891   178.817 4.9677  174.141 5.1002  4.676315       7.119727 
1 1 1 -4  12  15 o 146.307 3.0411  2876.62   119.139   2790.28   168.204   2963.55   168.775   144.097 4.3580  148.517 4.2427  -4.419678      6.082195 
1 1 1 -4  12  16 o 91.939  2.2774  1134.33   56.077    1151.49   79.199    1117.09   79.410    92.638  3.1918  91.241  3.2494  1.397438       4.554801 
1 1 1 -4  12  17 o 101.093 2.4478  1372.04   66.268    1337.69   93.507    1406.71   93.929    99.819  3.4974  102.367 3.4257  -2.547920      4.895615 
1 1 1 -4  12  18 o 67.157  2.0165  605.220   36.267    615.153   51.146    595.175   51.434    67.713  2.8200  66.601  2.8832  1.111298       4.033032 
1 1 1 -4  12  19 o 149.214 3.1165  2997.64   124.550   3029.90   175.906   2965.20   176.376   150.024 4.3775  148.403 4.4372  1.621002       6.233077 
1 1 1 -4  12  20 o 101.449 2.4586  1383.92   66.807    1376.43   94.212    1391.49   94.750    101.173 3.4766  101.725 3.4774  -0.5516663     4.917235 
1 1 1 -4  12  21 o 25.746  2.2681  90.446    15.296    88.042    21.277    93.018    22.005    25.388  3.2000  26.104  3.2151  -0.7161427     4.536211 
1 1 1 -4  12  22 o 108.887 2.5384  1598.50   74.032    1581.76   104.285   1615.50   105.113   108.312 3.5947  109.463 3.5851  -1.151093      5.076889 
1 1 1 -4  12  23 o 88.808  2.2630  1063.47   53.826    1070.72   75.899    1056.13   76.346    89.116  3.1797  88.499  3.2207  0.6168976      4.525911 
1 1 1 -4  12  24 o 31.460  1.9665  134.404   16.399    132.680   23.010    136.183   23.378    31.254  2.7776  31.666  2.7846  -0.4121552     3.933045 
1 1 1 -4  12  25 o 45.266  1.9229  277.513   23.202    282.025   32.678    272.926   32.948    45.645  2.6847  44.888  2.7537  0.7573280      3.845822 
1 1 1 -4  12  26 o 29.500  2.0746  119.560   16.028    135.243   22.554    103.556   22.783    31.529  2.6966  27.471  3.1535  4.058165       4.149206 
1 1 1 -4  12  27 o 23.689  2.2056  77.587    13.610    82.884    19.088    72.108    19.411    24.560  2.9612  22.818  3.2695  1.742882       4.411172 
1 1 1 -4  12  28 o 80.702  2.2325  885.837   48.255    878.532   67.859    893.310   68.633    80.368  3.1524  81.037  3.1620  -0.6692886     4.464935 
1 1 1 -4  12  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  12  30 o 8.4043  2.4115  -0.6596   9.3924    12.548    13.523    -12.9677  13.055    10.388  3.7683  6.4205  3.0103  3.967485       4.823060 
1 1 1 -4  12  31 o 32.084  2.1752  142.800   18.295    121.327   25.538    165.441   26.223    29.507  3.2871  34.661  2.8498  -5.154413      4.350469 
1 1 1 -4  12  32 o 23.612  2.4172  79.364    14.684    91.102    20.713    67.502    20.821    25.520  3.0934  21.705  3.7151  3.815323       4.834345 
1 1 1 -4  12  33 o 24.465  2.4037  85.191    15.306    87.659    21.392    82.603    21.910    24.877  3.2914  24.052  3.5039  0.8242817      4.807314 
1 1 1 -4  12  34 o 15.168  2.9104  34.055    12.502    45.190    17.817    23.255    17.547    17.476  3.9046  12.861  4.3170  4.615367       5.820864 
1 1 1 -4  12  35 o 35.027  2.2565  173.754   20.788    150.264   28.935    198.813   29.885    32.449  3.3787  37.604  2.9918  -5.155098      4.512959 
1 1 1 -4  12  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  12  37 o 17.255  3.0457  45.867    14.102    39.332    19.662    52.791    20.238    15.923  4.4420  18.586  4.1681  -2.663155      6.091331 
1 1 1 -4  12  38 o 13.295  3.1733  26.913    13.508    30.532    18.604    22.878    19.644    13.996  4.4289  12.595  4.5458  1.401642       6.346663 
1 1 1 -4  13  1  o 585.666 10.861  46408.84  1703.78   46843.63  2409.58   45974.09  2409.45   588.437 15.288  582.895 15.433  5.542664       21.72300 
1 1 1 -4  13  2  o 116.705 2.6212  1826.30   81.848    1724.20   115.522   1929.20   115.980   113.426 3.8024  119.984 3.6089  -6.557640      5.242390 
1 1 1 -4  13  3  o 138.493 2.9321  2571.22   108.766   2564.62   153.858   2577.82   153.777   138.316 4.1530  138.671 4.1401  -0.3558655     5.864138 
1 1 1 -4  13  4  o 82.916  2.1339  921.347   47.380    948.490   67.180    894.485   66.831    84.132  2.9812  81.700  3.0540  2.431427       4.267828 
1 1 1 -4  13  5  o 251.848 4.8331  8525.81   326.012   8633.02   461.408   8418.93   460.694   253.434 6.7972  250.262 6.8727  3.172348       9.666251 
1 1 1 -4  13  6  o 347.334 6.5241  16286.49  606.899   16027.39  858.362   16545.49  858.207   344.549 9.3010  350.119 9.1514  -5.569580      13.04825 
1 1 1 -4  13  7  o 267.460 5.0572  9633.83   362.292   9652.69   512.622   9615.00   512.094   267.722 7.1486  267.198 7.1553  0.5245972      10.11441 
1 1 1 -4  13  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  13  9  o 189.951 3.7610  4852.08   191.294   4714.36   270.555   4989.75   270.504   187.244 5.3946  192.657 5.2420  -5.412872      7.522012 
1 1 1 -4  13  10 o 77.110  2.0952  797.507   43.243    836.036   61.405    759.598   60.909    78.960  2.9034  75.260  3.0215  3.700119       4.190381 
1 1 1 -4  13  11 o 137.313 2.8632  2531.79   105.299   2565.83   149.077   2497.91   148.754   138.236 4.0262  136.390 4.0719  1.845917       5.726355 
1 1 1 -4  13  12 o 22.381  1.9014  68.159    11.164    66.282    15.851    70.007    15.726    22.064  2.7413  22.698  2.6357  -0.6341991     3.802840 
1 1 1 -4  13  13 o 82.534  2.1614  914.066   47.758    881.209   67.539    946.925   67.542    81.047  3.1112  84.020  3.0012  -2.972687      4.322849 
1 1 1 -4  13  14 o 84.291  2.1950  953.247   49.547    977.477   70.218    929.219   69.924    85.360  3.0712  83.223  3.1368  2.136833       4.389978 
1 1 1 -4  13  15 f 148.739 3.1129  2973.75   124.018   2965.87   175.311   2981.63   175.464   148.541 4.4063  148.936 4.3984  -0.3951416     6.225881 
1 1 1 -4  13  16 o 40.722  1.8861  223.569   20.420    207.533   28.797    239.788   28.960    39.238  2.7575  42.207  2.5740  -2.968670      3.772145 
1 1 1 -4  13  17 o 277.374 5.2889  10442.11  392.830   10719.43  555.584   10164.86  555.508   281.106 7.3789  273.642 7.5791  7.463959       10.57784 
1 1 1 -4  13  18 o 197.906 3.9484  5294.33   209.151   5522.25   295.796   5066.45   295.773   202.205 5.4615  193.606 5.7036  8.598450       7.896791 
1 1 1 -4  13  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  13  20 o 13.509  2.7569  25.014    10.676    30.452    15.030    19.478    15.166    14.755  3.7847  12.263  4.0098  2.492487       5.513857 
1 1 1 -4  13  21 o 64.835  2.0236  565.524   35.138    571.510   49.521    559.454   49.865    65.183  2.8364  64.487  2.8869  0.6962585      4.047133 
1 1 1 -4  13  22 o 76.931  2.1575  797.574   44.455    785.462   62.530    809.951   63.212    76.339  3.0581  77.523  3.0443  -1.183136      4.315038 
1 1 1 -4  13  23 o 61.015  1.9871  502.030   32.468    508.663   45.676    495.255   46.161    61.428  2.7761  60.603  2.8438  0.8247452      3.974137 
1 1 1 -4  13  24 o 51.360  1.9510  357.000   26.730    343.259   37.556    371.107   38.052    50.349  2.7959  52.372  2.7220  -2.023094      3.902091 
1 1 1 -4  13  25 o 60.472  2.0448  494.741   33.113    500.352   46.527    488.982   47.137    60.827  2.8558  60.117  2.9274  0.7098656      4.089604 
1 1 1 -4  13  26 f 24.784  2.1823  84.582    14.155    79.832    19.921    89.426    20.117    24.053  3.1694  25.516  3.0009  -1.463238      4.364687 
1 1 1 -4  13  27 o 46.921  2.0045  299.502   25.062    287.291   35.119    312.175   35.776    45.934  2.8688  47.907  2.8003  -1.973179      4.008911 
1 1 1 -4  13  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  13  29 o 40.121  2.0576  221.482   21.854    242.921   30.721    199.518   31.095    42.157  2.7355  38.084  3.0745  4.072468       4.115241 
1 1 1 -4  13  30 o 76.382  2.2728  802.743   46.495    792.481   65.260    813.322   66.258    75.889  3.2105  76.876  3.2178  -0.9867477     4.545548 
1 1 1 -4  13  31 o 12.520  2.7667  21.102    10.945    10.254    15.546    31.764    15.412    10.258  3.9713  14.782  3.8533  -4.523887      5.533477 
1 1 1 -4  13  32 o 32.859  2.1928  151.123   19.066    152.693   26.782    149.510   27.149    33.052  3.0599  32.666  3.1417  0.3855515      4.385555 
1 1 1 -4  13  33 o 15.515  3.0002  35.862    12.886    40.816    18.466    31.159    17.992    16.526  4.1713  14.503  4.3135  2.023014       6.000443 
1 1 1 -4  13  34 o 33.725  2.2465  161.032   20.042    164.863   28.157    157.099   28.533    34.172  3.1104  33.278  3.2423  0.8936424      4.492967 
1 1 1 -4  13  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  13  36 o 24.591  2.7289  90.810    16.986    112.180   23.978    69.285    24.065    27.912  3.2692  21.270  4.3703  6.642151       5.457720 
1 1 1 -4  13  37 o 8.9707  2.6378  0.2061    11.374    15.010    16.403    -13.5059  15.786    10.908  4.1147  7.0337  3.3018  3.874001       5.275611 
1 1 1 -4  14  1  o 180.152 3.6294  4354.02   175.128   4312.60   247.341   4395.67   247.997   179.292 5.1505  181.013 5.1150  -1.720627      7.258836 
1 1 1 -4  14  2  o 154.873 3.1897  3217.36   132.306   3262.69   187.021   3171.95   187.196   155.967 4.4768  153.779 4.5447  2.187592       6.379384 
1 1 1 -4  14  3  o 171.022 3.4680  3925.22   158.863   3928.39   224.658   3922.05   224.673   171.092 4.9023  170.953 4.9066  0.1384125      6.936006 
1 1 1 -4  14  4  o 186.196 3.6874  4655.98   183.874   4569.73   260.093   4742.15   259.982   184.467 5.2641  187.925 5.1650  -3.457535      7.374780 
1 1 1 -4  14  5  o 70.492  1.9898  666.506   37.541    638.363   53.211    694.398   52.972    69.008  2.8788  71.976  2.7477  -2.968010      3.979598 
1 1 1 -4  14  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  14  7  o 139.796 2.9782  2623.82   111.495   2691.56   158.037   2556.70   157.320   141.596 4.1670  137.996 4.2563  3.600006       5.956460 
1 1 1 -4  14  8  o 84.449  2.1753  956.407   49.203    965.466   69.821    947.470   69.348    84.846  3.0723  84.052  3.0803  0.7947540      4.350570 
1 1 1 -4  14  9  o 161.037 3.2662  3484.91   140.879   3456.05   199.391   3513.68   199.075   160.368 4.6419  161.706 4.5962  -1.337036      6.532442 
1 1 1 -4  14  10 o 60.714  1.9112  494.253   31.064    515.786   44.182    473.203   43.684    62.022  2.6596  59.405  2.7455  2.617680       3.822406 
1 1 1 -4  14  11 o 66.805  1.9887  598.522   35.584    596.790   50.497    600.231   50.153    66.708  2.8262  66.901  2.7988  -0.1929245     3.977496 
1 1 1 -4  14  12 o 231.702 4.4955  7243.87   278.887   7006.61   394.281   7481.42   394.530   227.877 6.4598  235.527 6.2539  -7.649536      8.991097 
1 1 1 -4  14  13 o 57.717  1.9393  446.778   29.969    463.269   42.540    430.529   42.226    58.775  2.7022  56.658  2.7824  2.117252       3.878644 
1 1 1 -4  14  14 o 114.346 2.6158  1755.79   80.114    1768.34   113.334   1743.25   113.262   114.755 3.6872  113.936 3.7114  0.8190308      5.231615 
1 1 1 -4  14  15 o 74.575  2.0957  746.243   41.861    753.974   59.275    738.552   59.126    74.961  2.9522  74.189  2.9754  0.7717056      4.191494 
1 1 1 -4  14  16 o 186.409 3.6957  4685.66   184.524   4677.83   260.862   4693.50   261.051   186.252 5.2290  186.566 5.2240  -0.3130798     7.391420 
1 1 1 -4  14  17 o 212.051 4.1861  6086.58   237.758   6123.46   336.150   6049.65   336.330   212.701 5.9003  211.400 5.9398  1.300812       8.372266 
1 1 1 -4  14  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  14  19 o 91.831  2.3465  1135.46   57.691    1173.71   81.524    1097.10   81.651    93.389  3.2591  90.273  3.3768  3.115494       4.693075 
1 1 1 -4  14  20 o 20.063  2.3154  55.919    11.925    47.386    16.853    64.475    16.876    18.440  3.5408  21.686  2.9843  -3.246201      4.630724 
1 1 1 -4  14  21 o 58.817  2.0165  466.936   31.678    489.911   44.729    443.816   44.869    60.317  2.7686  57.317  2.9325  3.000252       4.032933 
1 1 1 -4  14  22 o 38.343  1.9340  199.150   19.730    195.416   27.724    202.983   28.085    37.976  2.7440  38.711  2.7260  -0.7346687     3.867926 
1 1 1 -4  14  23 o 66.589  2.0663  599.149   36.852    597.144   51.839    601.197   52.399    66.478  2.9113  66.699  2.9330  -0.2207947     4.132575 
1 1 1 -4  14  24 o 25.233  2.0962  87.433    13.854    94.725    19.652    80.229    19.533    26.320  2.8323  24.146  3.0911  2.173363       4.192467 
1 1 1 -4  14  25 o 56.077  2.0653  426.715   30.883    390.455   43.228    464.516   44.137    53.578  3.0246  58.576  2.8131  -4.998928      4.130613 
1 1 1 -4  14  26 o 45.845  2.0314  286.502   24.783    302.547   34.985    270.340   35.113    47.163  2.7818  44.527  2.9610  2.636024       4.062771 
1 1 1 -4  14  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  14  28 o 25.766  2.2520  92.240    15.200    89.374    21.583    95.060    21.411    25.343  3.2548  26.189  3.1133  -0.8456631     4.504016 
1 1 1 -4  14  29 o 43.417  2.1015  259.422   24.284    250.963   34.023    268.207   34.672    42.684  2.9949  44.151  2.9489  -1.466637      4.202987 
1 1 1 -4  14  30 o 12.139  2.8830  19.300    11.405    26.486    16.011    11.900    16.249    13.595  4.0750  10.683  4.0795  2.912080       5.766098 
1 1 1 -4  14  31 o 62.123  2.1899  536.422   36.364    540.909   50.936    531.758   51.932    62.459  3.0446  61.786  3.1485  0.6737251      4.379817 
1 1 1 -4  14  32 o 41.524  2.1581  241.257   23.816    228.680   33.249    254.509   34.130    40.381  3.0977  42.666  3.0057  -2.285545      4.316260 
1 1 1 -4  14  33 o 23.422  2.6182  79.923    15.847    75.644    22.670    84.012    22.161    22.717  3.8642  24.127  3.5339  -1.410622      5.236462 
1 1 1 -4  14  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  14  35 o 38.525  2.2893  212.216   23.397    214.279   32.791    210.077   33.392    38.754  3.1872  38.296  3.2872  0.4578934      4.578696 
1 1 1 -4  14  36 o 16.816  3.1825  44.778    14.645    47.880    20.698    41.666    20.725    17.432  4.4251  16.199  4.5752  1.233360       6.365095 
1 1 1 -4  15  1  o 45.270  1.7679  275.584   21.345    282.071   30.023    268.953   30.352    45.814  2.4556  44.727  2.5441  1.087185       3.535852 
1 1 1 -4  15  2  o 132.994 2.8510  2373.21   101.548   2410.44   143.508   2335.88   143.713   134.041 3.9972  131.947 4.0664  2.093369       5.701981 
1 1 1 -4  15  3  f 186.593 7.5086  4694.50   375.271   0.0000    0.0000    4694.50   375.271   ?       ?       186.593 7.5086  ?              ?        
1 1 1 -4  15  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  15  5  o 190.083 3.7642  4858.49   191.641   4919.46   271.314   4797.78   270.730   191.278 5.2956  188.889 5.3511  2.388306       7.528455 
1 1 1 -4  15  6  o 79.250  2.1116  842.360   44.815    830.772   63.592    853.794   63.167    78.707  3.0165  79.792  2.9556  -1.085281      4.223100 
1 1 1 -4  15  7  o 256.711 4.9426  8895.77   339.791   8705.57   480.694   9085.72   480.382   253.946 7.0670  259.476 6.9119  -5.529984      9.885233 
1 1 1 -4  15  8  o 159.002 3.2150  3397.75   136.913   3362.42   193.854   3432.92   193.395   158.174 4.5756  159.831 4.5175  -1.656708      6.429930 
1 1 1 -4  15  9  o 76.437  2.0779  784.052   42.516    754.562   60.269    813.264   59.984    75.003  3.0001  77.871  2.8759  -2.867737      4.155864 
1 1 1 -4  15  10 o 51.812  1.8844  360.912   26.062    362.125   37.051    359.725   36.666    51.897  2.6745  51.726  2.6554  0.1711121      3.768820 
1 1 1 -4  15  11 o 276.014 5.3118  10308.63  392.696   10239.40  555.487   10377.79  555.225   275.078 7.5393  276.951 7.4848  -1.873322      10.62367 
1 1 1 -4  15  12 o 184.696 3.6771  4592.44   181.886   4685.01   257.512   4500.28   256.941   186.562 5.1533  182.830 5.2468  3.732162       7.354290 
1 1 1 -4  15  13 o 86.414  2.2063  1002.12   51.059    1024.03   72.324    980.358   72.094    87.357  3.0910  85.470  3.1491  1.886292       4.412628 
1 1 1 -4  15  14 o 18.106  2.3658  45.405    11.046    48.216    15.764    42.694    15.483    18.680  3.2698  17.531  3.4200  1.148773       4.731621 
1 1 1 -4  15  15 o 87.083  2.2146  1018.40   51.651    1003.78   73.057    1033.01   73.034    86.457  3.1548  87.710  3.1088  -1.253105      4.429151 
1 1 1 -4  15  16 o 106.724 2.5069  1531.86   71.655    1558.02   101.407   1505.79   101.264   107.638 3.5174  105.811 3.5730  1.826538       5.013814 
1 1 1 -4  15  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  15  18 o 37.560  1.9063  190.641   19.037    198.818   26.959    182.509   26.886    38.374  2.6389  36.745  2.7517  1.628864       3.812559 
1 1 1 -4  15  19 o 36.725  1.9158  182.700   18.665    168.564   26.404    196.820   26.389    35.281  2.8176  38.170  2.5965  -2.888977      3.831583 
1 1 1 -4  15  20 o 33.527  1.9681  152.717   17.421    171.433   24.836    134.590   24.443    35.590  2.6239  31.465  2.9342  4.125265       3.936275 
1 1 1 -4  15  21 o 85.414  2.2901  987.035   52.351    1030.53   73.968    943.386   74.102    87.319  3.1626  83.508  3.3129  3.810425       4.580128 
1 1 1 -4  15  22 o 9.5111  2.1261  6.3884    7.8239    -10.5295  10.950    24.031    11.183    5.9560  2.7810  13.066  3.2168  -7.110245      4.252246 
1 1 1 -4  15  23 o 57.274  2.0302  444.279   31.090    436.449   43.722    452.288   44.218    56.724  2.8872  57.823  2.8551  -1.098835      4.060446 
1 1 1 -4  15  24 o 15.354  2.6976  33.448    11.145    26.916    15.675    40.126    15.850    13.864  3.9998  16.845  3.6207  -2.980639      5.395123 
1 1 1 -4  15  25 o 86.465  2.3440  1018.90   54.284    1007.70   76.384    1030.34   77.161    85.984  3.3166  86.946  3.3133  -0.9620667     4.688055 
1 1 1 -4  15  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  15  27 o 17.000  2.7560  41.586    12.383    32.296    17.340    51.252    17.689    15.005  4.1664  18.995  3.6087  -3.989618      5.511990 
1 1 1 -4  15  28 o 31.177  2.2131  134.828   18.206    126.531   25.550    143.385   25.947    30.165  3.2117  32.188  3.0458  -2.022793      4.426242 
1 1 1 -4  15  29 o 24.301  2.4920  84.304    15.394    64.415    21.466    105.360   22.087    21.115  3.9406  27.487  3.0514  -6.372374      4.983928 
1 1 1 -4  15  30 o 23.297  2.5183  77.728    15.080    65.253    20.979    91.066    21.692    21.211  3.8338  25.383  3.2664  -4.172129      5.036580 
1 1 1 -4  15  31 o 20.677  2.6885  63.320    14.156    43.293    19.812    84.210    20.234    16.983  4.3393  24.370  3.1752  -7.387560      5.376951 
1 1 1 -4  15  32 o 7.5352  2.4060  -6.9925   10.389    -2.0785   15.107    -11.4017  14.310    8.1776  3.5892  6.8928  3.2052  1.284783       4.812054 
1 1 1 -4  15  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  15  34 o 9.3575  2.7702  3.3477    11.927    -3.7559   16.781    10.600    16.956    8.3528  3.7188  10.362  4.1069  -2.009484      5.540376 
1 1 1 -4  15  35 f 11.343  3.0550  15.764    12.996    11.098    18.464    20.344    18.296    10.591  4.2560  12.096  4.3838  -1.504757      6.109924 
1 1 1 -4  16  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  16  2  o 250.702 4.8234  8473.17   323.888   8524.86   457.809   8421.36   458.284   251.474 6.7968  249.931 6.8458  1.543076       9.646836 
1 1 1 -4  16  3  o 100.646 2.3973  1358.94   64.621    1338.68   91.255    1379.31   91.520    99.892  3.4107  101.399 3.3697  -1.506416      4.794538 
1 1 1 -4  16  4  o 65.789  1.9639  580.632   34.580    553.700   48.881    607.614   48.926    64.259  2.8400  67.318  2.7134  -3.059517      3.927885 
1 1 1 -4  16  5  o 125.407 2.7060  2111.27   90.889    2141.33   128.746   2081.40   128.327   126.298 3.8058  124.515 3.8478  1.783394       5.411979 
1 1 1 -4  16  6  o 161.430 3.3759  3504.06   145.944   3435.89   206.625   3571.92   206.167   159.856 4.8257  163.004 4.7221  -3.147339      6.751711 
1 1 1 -4  16  7  o 325.193 6.2064  14354.75  540.591   14316.98  764.853   14392.45  764.170   324.758 8.7928  325.628 8.7615  -0.8703308     12.41282 
1 1 1 -4  16  8  o 214.896 4.2013  6224.15   241.814   6295.33   342.371   6153.31   341.585   216.128 5.9142  213.664 5.9687  2.464325       8.402548 
1 1 1 -4  16  9  o 41.377  1.9740  231.066   21.595    265.736   30.927    198.079   30.167    44.440  2.6096  38.313  2.9626  6.127243       3.948076 
1 1 1 -4  16  10 o 112.694 2.5832  1705.18   77.972    1699.14   110.505   1711.18   110.035   112.494 3.6674  112.894 3.6389  -0.4001312     5.166396 
1 1 1 -4  16  11 o 65.271  2.0047  571.588   35.041    563.024   49.776    580.002   49.338    64.785  2.8686  65.757  2.8013  -0.9720688     4.009449 
1 1 1 -4  16  12 o 75.846  2.1171  772.066   42.974    812.738   61.092    732.227   60.463    77.827  2.9307  73.865  3.0560  3.961548       4.234171 
1 1 1 -4  16  13 o 96.470  2.3713  1250.04   61.253    1292.19   86.908    1208.43   86.346    98.090  3.3078  94.850  3.3987  3.240074       4.742679 
1 1 1 -4  16  14 o 125.071 2.7492  2104.62   92.099    2115.20   130.347   2094.08   130.148   125.386 3.8812  124.756 3.8948  0.6294556      5.498476 
1 1 1 -4  16  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  16  16 o 83.305  2.2056  933.433   49.207    952.477   69.686    914.494   69.494    84.155  3.0915  82.454  3.1466  1.701263       4.411215 
1 1 1 -4  16  17 o 80.779  2.1896  878.472   47.370    863.840   66.973    893.120   67.010    80.102  3.1215  81.455  3.0714  -1.353027      4.379170 
1 1 1 -4  16  18 o 95.358  2.3625  1226.91   60.334    1205.23   85.281    1248.64   85.370    94.509  3.3689  96.207  3.3129  -1.698578      4.724923 
1 1 1 -4  16  19 o 132.198 2.8895  2372.32   102.313   2374.10   144.601   2370.52   144.784   132.249 4.0821  132.146 4.0905  0.1033478      5.778944 
1 1 1 -4  16  20 o 40.757  1.9533  225.132   21.197    224.215   30.097    226.034   29.858    40.672  2.7794  40.843  2.7453  -0.1712418     3.906580 
1 1 1 -4  16  21 o 61.159  2.0374  505.699   33.367    492.230   47.157    519.204   47.218    60.336  2.9179  61.982  2.8442  -1.645813      4.074768 
1 1 1 -4  16  22 o 56.874  2.0344  438.710   30.888    464.702   43.696    412.748   43.670    58.618  2.7830  55.131  2.9683  3.487732       4.068875 
1 1 1 -4  16  23 o 22.245  2.3594  68.813    13.588    62.960    19.119    74.787    19.315    21.235  3.4822  23.256  3.1845  -2.020550      4.718740 
1 1 1 -4  16  24 o 87.894  2.3804  1054.05   56.039    1050.96   79.001    1057.17   79.504    87.768  3.3606  88.020  3.3722  -0.2528915     4.760801 
1 1 1 -4  16  25 o 15.185  5.4201  28.981    27.848    28.981    27.848    0.0000    0.0000    15.185  5.4201  ?       ?       ?              ?        
1 1 1 -4  16  26 o 43.223  2.0693  256.543   23.735    232.135   33.376    281.517   33.761    41.086  3.0547  45.360  2.7924  -4.273563      4.138675 
1 1 1 -4  16  27 o 34.785  2.1682  167.454   19.987    170.252   28.087    164.584   28.448    35.099  3.0169  34.470  3.1149  0.6283264      4.336376 
1 1 1 -4  16  28 o 24.674  2.4559  86.363    15.724    93.408    22.161    79.220    22.313    25.775  3.2846  23.574  3.6519  2.201027       4.911757 
1 1 1 -4  16  29 o 57.239  2.1643  455.969   33.038    472.457   46.597    439.303   46.850    58.330  2.9925  56.149  3.1276  2.181046       4.328627 
1 1 1 -4  16  30 o 17.140  2.8955  43.927    13.230    35.226    18.777    52.505    18.644    15.358  4.3609  18.922  3.8103  -3.564050      5.791059 
1 1 1 -4  16  31 o 8.0788  2.4777  -2.5598   10.273    -10.6186  14.546    5.4581    14.509    7.0438  3.2602  9.1138  3.7319  -2.070044      4.955418 
1 1 1 -4  16  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  16  33 o 15.576  3.1506  36.937    14.452    23.139    20.352    50.971    20.525    12.902  4.6305  18.251  4.2737  -5.349777      6.301261 
1 1 1 -4  16  34 o 18.369  3.1606  53.271    15.452    58.737    21.663    47.609    22.048    19.455  4.2739  17.282  4.6575  2.172876       6.321285 
1 1 1 -4  17  1  o 70.358  2.0007  663.715   37.697    647.990   53.003    679.813   53.627    69.514  2.8467  71.202  2.8119  -1.687569      4.001302 
1 1 1 -4  17  2  o 130.132 2.8135  2273.82   98.066    2264.28   138.410   2283.44   138.964   129.858 3.9793  130.406 3.9785  -0.5482330     5.627020 
1 1 1 -4  17  3  o 67.566  2.0078  612.606   36.306    640.756   51.303    584.363   51.387    69.125  2.7709  66.008  2.9065  3.116196       4.015659 
1 1 1 -4  17  4  o 107.992 2.5272  1566.01   73.047    1495.19   103.183   1637.16   103.426   105.539 3.6501  110.446 3.4962  -4.907448      5.054346 
1 1 1 -4  17  5  o 193.067 3.8331  5018.71   198.203   4948.94   280.437   5088.35   280.167   191.719 5.4611  194.415 5.3802  -2.696762      7.666175 
1 1 1 -4  17  6  o 108.767 2.5309  1588.07   73.719    1630.81   104.600   1545.89   103.911   110.223 3.5430  107.310 3.6152  2.913055       5.061872 
1 1 1 -4  17  7  o 317.808 6.0360  13710.06  513.807   13706.20  727.001   13713.91  726.265   317.760 8.5417  317.855 8.5305  -0.9500122E-01 12.07193 
1 1 1 -4  17  8  o 103.619 2.4649  1441.43   68.404    1426.48   97.056    1456.19   96.423    103.083 3.5152  104.156 3.4563  -1.072098      4.929734 
1 1 1 -4  17  9  o 162.020 3.3829  3532.00   146.801   3509.91   207.916   3553.97   207.302   161.511 4.8061  162.528 4.7620  -1.017487      6.765746 
1 1 1 -4  17  10 o 87.487  2.2751  1027.55   53.304    1011.02   75.612    1043.89   75.157    86.785  3.2528  88.188  3.1818  -1.403679      4.550215 
1 1 1 -4  17  11 o 83.651  2.2281  939.465   49.920    936.815   70.862    942.075   70.335    83.533  3.1672  83.769  3.1347  -0.2362900     4.456161 
1 1 1 -4  17  12 o 128.473 2.8251  2220.98   97.203    2183.19   137.667   2258.55   137.267   127.377 4.0350  129.569 3.9553  -2.191803      5.650293 
1 1 1 -4  17  13 o 134.869 2.9788  2451.20   107.599   2418.80   152.404   2483.39   151.932   133.974 4.2471  135.765 4.1781  -1.790710      5.957654 
1 1 1 -4  17  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  17  15 o 82.404  2.2130  913.845   48.844    909.021   69.253    918.620   68.900    82.186  3.1460  82.623  3.1134  -0.4369507     4.426094 
1 1 1 -4  17  16 o 55.004  1.9329  406.997   28.477    408.862   40.400    405.157   40.145    55.129  2.7360  54.879  2.7311  0.2499046      3.865793 
1 1 1 -4  17  17 o 85.180  2.2535  978.996   51.405    1003.93   72.865    954.287   72.532    86.267  3.1535  84.094  3.2202  2.173050       4.507068 
1 1 1 -4  17  18 o 96.464  2.4366  1259.50   62.933    1220.42   88.947    1298.68   89.055    94.950  3.4974  97.978  3.3934  -3.027779      4.873125 
1 1 1 -4  17  19 o 61.279  2.0088  507.112   32.969    502.240   46.663    511.968   46.588    60.982  2.8568  61.575  2.8248  -0.5935211     4.017539 
1 1 1 -4  17  20 o 62.954  2.0826  536.201   35.117    534.365   49.719    538.030   49.607    62.845  2.9537  63.063  2.9368  -0.2188263     4.165263 
1 1 1 -4  17  21 o 36.018  2.0149  176.634   19.278    179.548   27.453    173.799   27.077    36.314  2.8452  35.723  2.8537  0.5914688      4.029740 
1 1 1 -4  17  22 o 36.831  2.0182  185.049   19.737    176.850   27.937    193.219   27.887    35.996  2.9228  37.667  2.7838  -1.670799      4.036416 
1 1 1 -4  17  23 o 28.434  3.1090  111.322   23.293    0.0000    0.0000    111.322   23.293    ?       ?       28.434  3.1090  ?              ?        
1 1 1 -4  17  24 o 20.679  2.5295  60.695    13.419    69.529    18.863    51.644    19.093    22.330  3.2490  19.028  3.8779  3.302324       5.059046 
1 1 1 -4  17  25 o 37.888  2.0887  197.416   21.024    201.617   29.673    193.181   29.791    38.309  2.9137  37.468  2.9935  0.8406487      4.177381 
1 1 1 -4  17  26 o 24.624  2.5400  87.142    15.722    62.592    22.123    112.191   22.347    20.803  4.1161  28.445  2.9771  -7.642431      5.079928 
1 1 1 -4  17  27 o 10.518  2.7680  11.052    10.877    19.695    15.557    2.7842    15.215    12.078  4.0648  8.9584  3.7582  3.120100       5.535942 
1 1 1 -4  17  28 o 35.179  2.1598  172.918   20.149    172.057   28.419    173.788   28.571    35.091  3.0541  35.268  3.0547  -0.1769943     4.319551 
1 1 1 -4  17  29 o 10.482  2.7614  12.076    10.738    4.8504    15.625    18.542    14.782    9.3003  3.8474  11.663  3.9621  -2.362580      5.522747 
1 1 1 -4  17  30 o 25.472  2.5163  93.604    16.634    102.344   23.615    84.998    23.434    26.762  3.3691  24.183  3.7384  2.579298       5.032537 
1 1 1 -4  17  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  17  32 o 8.5458  2.6171  -0.8097   11.248    5.3328    15.806    -7.1107   16.009    9.3131  3.8625  7.7785  3.5323  1.534624       5.234152 
1 1 1 -4  17  33 o 14.269  3.1747  31.503    13.538    34.383    19.666    28.909    18.664    14.809  4.5333  13.730  4.4458  1.079206       6.349477 
1 1 1 -4  18  1  o 152.229 3.1285  3114.32   127.558   3073.47   179.895   3155.63   180.898   151.223 4.4413  153.235 4.4074  -2.012085      6.257081 
1 1 1 -4  18  2  o 90.983  2.2795  1110.69   55.549    1108.32   78.251    1113.10   78.868    90.885  3.2145  91.080  3.2329  -0.1947556     4.558977 
1 1 1 -4  18  3  o 180.121 3.6717  4366.98   177.128   4429.23   250.406   4304.65   250.587   181.412 5.1533  178.829 5.2315  2.582840       7.343427 
1 1 1 -4  18  4  o 153.581 3.1987  3171.03   131.581   3183.99   186.089   3158.07   186.080   153.896 4.5144  153.266 4.5328  0.6299591      6.397363 
1 1 1 -4  18  5  o 211.149 4.1832  6010.92   236.567   5932.73   334.618   6089.05   334.493   209.767 5.9556  212.531 5.8759  -2.764420      8.366312 
1 1 1 -4  18  6  o 192.124 3.8620  4972.29   198.738   4991.69   281.353   4952.98   280.764   192.499 5.4568  191.749 5.4666  0.7498474      7.723999 
1 1 1 -4  18  7  o 21.990  2.2398  66.288    12.790    62.057    18.077    70.529    18.098    21.256  3.2807  22.724  3.0503  -1.468784      4.479693 
1 1 1 -4  18  8  o 60.696  1.9991  494.207   32.497    504.146   46.213    484.484   45.707    61.300  2.8146  60.092  2.8397  1.208214       3.998224 
1 1 1 -4  18  9  o 84.460  2.2324  957.710   50.484    993.590   71.746    922.523   71.050    86.030  3.1136  82.891  3.2001  3.139397       4.464879 
1 1 1 -4  18  10 o 105.807 2.4879  1504.81   70.500    1482.61   99.940    1526.79   99.466    105.027 3.5526  106.588 3.4840  -1.560570      4.975883 
1 1 1 -4  18  11 o 96.166  2.3722  1243.16   61.102    1256.24   86.733    1230.28   86.092    96.669  3.3497  95.664  3.3599  1.005104       4.744419 
1 1 1 -4  18  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  18  13 o 64.927  2.0895  566.747   36.332    581.335   51.776    552.594   50.995    65.751  2.9399  64.103  2.9701  1.648613       4.179014 
1 1 1 -4  18  14 o 57.960  1.9966  452.966   30.899    428.915   43.846    476.693   43.550    56.384  2.9133  59.536  2.7310  -3.152744      3.993148 
1 1 1 -4  18  15 o 13.212  2.5426  24.344    9.3803    18.671    13.395    29.803    13.141    11.852  3.7588  14.571  3.4248  -2.718266      5.085104 
1 1 1 -4  18  16 o 62.021  2.0275  518.939   33.650    493.605   47.615    544.218   47.562    60.498  2.9384  63.545  2.7944  -3.047180      4.055038 
1 1 1 -4  18  17 o 10.945  2.5210  14.251    9.0585    23.880    13.024    5.2283    12.608    13.072  3.6036  8.8193  3.5265  4.252364       5.042022 
1 1 1 -4  18  18 o 102.808 2.4598  1434.47   67.731    1418.51   95.810    1450.42   95.762    102.228 3.4991  103.388 3.4581  -1.159454      4.919540 
1 1 1 -4  18  19 o 42.721  1.9672  247.689   22.379    256.806   31.940    238.897   31.365    43.502  2.7555  41.940  2.8083  1.561333       3.934345 
1 1 1 -4  18  20 o 60.158  2.0931  491.120   33.664    502.966   47.745    479.408   47.473    60.924  2.9258  59.392  2.9938  1.532497       4.186112 
1 1 1 -4  18  21 o 35.667  2.0108  173.642   19.036    181.152   26.949    166.162   26.893    36.456  2.7808  34.878  2.9052  1.577885       4.021585 
1 1 1 -4  18  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  18  23 o 21.345  2.4987  65.099    13.548    49.909    19.257    79.987    19.065    18.663  3.9741  24.027  3.0298  -5.363956      4.997307 
1 1 1 -4  18  24 o 23.470  2.4907  77.664    15.056    89.861    21.605    66.149    20.992    25.379  3.2532  21.561  3.7723  3.817966       4.981309 
1 1 1 -4  18  25 o 29.714  2.2290  123.353   17.367    110.471   24.654    136.042   24.469    28.084  3.3431  31.345  2.9491  -3.260851      4.457991 
1 1 1 -4  18  26 o 24.915  2.4411  88.566    15.660    101.891   22.053    75.014    22.240    26.974  3.1093  22.855  3.7641  4.118914       4.882184 
1 1 1 -4  18  27 f 27.320  2.2865  105.454   16.383    99.977    23.193    110.907   23.144    26.560  3.3336  28.080  3.1305  -1.519846      4.573094 
1 1 1 -4  18  28 o 33.418  2.2845  157.951   20.112    143.341   28.404    172.639   28.480    31.768  3.3905  35.069  3.0628  -3.300674      4.569065 
1 1 1 -4  18  29 o 31.516  2.4223  143.294   19.545    177.671   27.750    109.454   27.533    35.599  2.9365  27.433  3.8533  8.166128       4.844679 
1 1 1 -4  18  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  18  31 o 34.967  2.3780  176.337   21.872    195.154   30.952    157.572   30.910    36.991  3.1541  32.943  3.5597  4.048645       4.756047 
1 1 1 -4  18  32 o 34.327  2.3729  171.735   21.504    180.076   30.280    163.247   30.545    35.265  3.2420  33.389  3.4660  1.875530       4.745888 
1 1 1 -4  19  1  o 96.328  2.3407  1245.23   60.392    1233.65   85.035    1257.01   85.784    95.876  3.3113  96.779  3.3093  -0.9033279     4.681467 
1 1 1 -4  19  2  o 95.572  2.3353  1225.84   59.760    1183.60   84.143    1268.83   84.888    93.908  3.3452  97.236  3.2594  -3.327530      4.670539 
1 1 1 -4  19  3  o 88.418  2.2486  1049.08   53.235    1012.45   74.959    1086.36   75.616    86.859  3.2220  89.978  3.1375  -3.119278      4.497241 
1 1 1 -4  19  4  o 133.915 2.8987  2410.25   103.951   2467.72   147.070   2352.88   146.949   135.516 4.0518  132.314 4.1464  3.201218       5.797373 
1 1 1 -4  19  5  o 94.993  2.3458  1211.51   59.672    1244.53   84.501    1178.66   84.278    96.287  3.2764  93.699  3.3581  2.588440       4.691654 
1 1 1 -4  19  6  o 80.818  2.2184  876.982   47.983    921.434   68.108    833.175   67.611    82.856  3.0689  78.781  3.2041  4.075821       4.436729 
1 1 1 -4  19  7  o 194.424 3.8835  5101.73   202.234   5129.13   286.365   5074.47   285.642   194.947 5.4842  193.901 5.4999  1.045792       7.766934 
1 1 1 -4  19  8  o 85.383  2.2563  979.140   51.591    1006.71   73.362    952.168   72.566    86.574  3.1637  84.192  3.2179  2.381996       4.512668 
1 1 1 -4  19  9  o 257.809 4.9821  9051.90   344.009   8939.77   486.789   9163.76   486.215   256.184 7.0941  259.433 6.9970  -3.248840      9.964200 
1 1 1 -4  19  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  19  11 o 17.707  2.4640  43.656    11.268    44.982    16.149    42.397    15.730    17.975  3.4798  17.438  3.4895  0.5371666      4.928085 
1 1 1 -4  19  12 o 63.685  2.0477  548.253   34.682    485.878   49.128    610.223   48.968    60.002  3.0671  67.367  2.7138  -7.364624      4.095301 
1 1 1 -4  19  13 o 64.791  2.0472  565.297   35.524    561.950   50.492    568.577   49.989    64.599  2.9181  64.984  2.8719  -0.3854218     4.094340 
1 1 1 -4  19  14 o 47.187  1.9638  301.582   24.646    278.724   34.979    324.119   34.732    45.383  2.8926  48.991  2.6568  -3.607410      3.927530 
1 1 1 -4  19  15 o 15.049  2.6157  31.854    10.479    34.687    15.055    29.192    14.595    15.690  3.6509  14.407  3.7468  1.283040       5.231406 
1 1 1 -4  19  16 o 56.279  2.0424  428.720   30.657    464.081   43.659    394.326   43.058    58.629  2.7802  53.929  2.9926  4.700489       4.084707 
1 1 1 -4  19  17 o 79.777  2.2365  862.480   47.784    849.361   67.683    875.516   67.470    79.163  3.1920  80.390  3.1334  -1.226982      4.472951 
1 1 1 -4  19  18 f 39.781  1.9817  215.425   20.943    202.691   29.745    227.943   29.492    38.587  2.8991  40.974  2.7024  -2.387135      3.963325 
1 1 1 -4  19  19 o 39.765  2.0234  215.170   21.340    238.099   30.714    193.772   29.671    41.845  2.7557  37.685  2.9634  4.160683       4.046724 
1 1 1 -4  19  20 o 50.963  2.0261  353.619   27.538    365.058   39.165    342.433   38.729    51.790  2.8341  50.136  2.8963  1.653351       4.052263 
1 1 1 -4  19  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  19  22 o 17.997  2.6966  47.440    12.687    31.883    18.218    62.090    17.679    14.936  4.3129  21.058  3.2381  -6.121962      5.393166 
1 1 1 -4  19  23 o 25.128  2.4098  88.784    15.744    81.918    22.406    95.478    22.126    24.093  3.5810  26.163  3.2257  -2.070175      4.819649 
1 1 1 -4  19  24 o 20.916  2.5890  62.824    13.920    55.169    19.764    70.360    19.609    19.529  3.9147  22.303  3.3893  -2.773632      5.178081 
1 1 1 -4  19  25 o 16.663  2.6412  40.134    12.696    70.395    18.399    12.629    17.541    22.329  3.1650  10.997  4.2293  11.33217       5.282393 
1 1 1 -4  19  26 o 20.417  2.7789  61.902    14.560    48.775    20.942    74.183    20.257    18.055  4.3761  22.778  3.4263  -4.722805      5.557867 
1 1 1 -4  19  27 o 23.455  2.6347  79.688    15.989    83.438    23.041    76.204    22.207    24.008  3.7020  22.902  3.7500  1.106024       5.269442 
1 1 1 -4  19  28 o 14.729  2.8911  32.164    12.408    19.280    17.646    44.765    17.452    12.077  4.3141  17.382  3.8499  -5.305529      5.782142 
1 1 1 -4  19  29 o 41.771  2.3342  249.590   25.526    295.930   36.322    204.373   35.879    45.873  2.9721  37.668  3.6000  8.205048       4.668315 
1 1 1 -4  19  30 o 10.745  2.4843  3.9807    11.711    -30.2110  16.904    35.538    16.240    6.1850  3.0290  15.305  3.9386  -9.119581      4.968664 
1 1 1 -4  19  31 o 34.292  2.3936  172.094   21.487    198.077   30.704    147.158   30.080    37.060  3.1222  31.523  3.6288  5.537199       4.787108 
1 1 1 -4  20  1  o 187.057 3.7678  4713.98   188.764   4635.15   266.327   4793.55   267.583   185.479 5.3608  188.635 5.2960  -3.156281      7.535667 
1 1 1 -4  20  2  o 119.561 2.6724  1920.44   85.580    1923.34   120.696   1917.51   121.364   119.653 3.7660  119.469 3.7927  0.1843796      5.344820 
1 1 1 -4  20  3  o 56.024  1.9479  421.710   29.174    429.052   41.084    414.243   41.434    56.553  2.7123  55.495  2.7965  1.057568       3.895714 
1 1 1 -4  20  4  o 20.737  2.3409  60.004    12.308    75.442    17.477    44.815    17.336    23.543  2.8282  17.931  3.7310  5.611370       4.681767 
1 1 1 -4  20  5  o 113.414 2.6627  1729.37   80.888    1729.43   114.424   1729.31   114.362   113.416 3.7666  113.412 3.7647  0.3692627E-02  5.325470 
1 1 1 -4  20  6  o 129.403 2.8423  2253.93   98.512    2236.03   139.471   2271.76   139.164   128.887 4.0400  129.919 3.9991  -1.032211      5.684622 
1 1 1 -4  20  7  o 74.523  2.1277  746.149   42.470    748.401   60.233    743.923   59.891    74.634  3.0131  74.411  3.0049  0.2229767      4.255373 
1 1 1 -4  20  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  20  9  o 141.982 3.0991  2724.04   117.837   2791.23   167.096   2657.57   166.202   143.735 4.3402  140.228 4.4250  3.507751       6.198251 
1 1 1 -4  20  10 o 92.848  2.3859  1161.65   59.334    1168.29   84.240    1155.11   83.587    93.110  3.3778  92.585  3.3706  0.5252991      4.771824 
1 1 1 -4  20  11 o 59.765  2.0328  481.884   32.453    461.410   46.121    501.963   45.673    58.460  2.9550  61.069  2.7922  -2.609600      4.065529 
1 1 1 -4  20  12 o 62.073  2.0739  519.293   34.478    528.180   49.093    510.644   48.432    62.597  2.9280  61.548  2.9379  1.049274       4.147803 
1 1 1 -4  20  13 o 58.975  2.0242  469.616   31.904    490.979   45.502    448.960   44.744    60.337  2.8155  57.613  2.9089  2.724819       4.048341 
1 1 1 -4  20  14 o 24.060  2.1266  79.338    13.398    81.727    19.361    77.143    18.559    24.409  3.0262  23.711  2.9887  0.6977921      4.253262 
1 1 1 -4  20  15 o 54.813  2.0631  407.812   30.142    387.358   42.803    427.933   42.454    53.424  3.0034  56.202  2.8292  -2.777508      4.126116 
1 1 1 -4  20  16 o 31.403  1.9988  134.468   16.629    132.332   23.614    136.570   23.421    31.147  2.8626  31.660  2.7905  -0.5129414     3.997619 
1 1 1 -4  20  17 o 93.649  2.4822  1194.77   62.240    1235.43   88.306    1154.63   87.740    95.254  3.4611  92.043  3.5589  3.211021       4.964382 
1 1 1 -4  20  18 o 29.492  2.1216  119.369   16.512    116.441   23.597    122.178   23.115    29.117  3.0720  29.867  2.9270  -0.7495327     4.243157 
1 1 1 -4  20  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  20  20 o 28.235  2.2146  110.381   16.287    129.273   23.391    92.603    22.691    30.677  2.8804  25.792  3.3647  4.885189       4.429186 
1 1 1 -4  20  21 o 12.743  2.8554  21.574    11.114    29.448    16.508    15.046    15.032    14.348  4.0941  11.137  3.9814  3.211169       5.710768 
1 1 1 -4  20  22 o 32.486  2.2482  146.765   19.287    141.336   27.556    151.979   27.003    31.856  3.2762  33.117  3.0795  -1.260765      4.496335 
1 1 1 -4  20  23 o 42.425  2.1219  249.283   23.954    249.777   34.195    248.808   33.565    42.455  3.0269  42.396  2.9746  0.5860519E-01  4.243873 
1 1 1 -4  20  24 o 15.948  2.8043  37.285    12.080    46.401    17.385    28.775    16.797    17.844  3.7561  14.053  4.1652  3.791797       5.608675 
1 1 1 -4  20  25 o 13.929  2.9314  26.881    12.538    42.248    18.290    13.259    17.220    16.863  4.0912  10.994  4.1994  5.868828       5.862776 
1 1 1 -4  20  26 o 25.742  2.4922  94.987    16.591    110.363   24.036    80.994    22.930    27.870  3.2829  23.615  3.7506  4.254946       4.984442 
1 1 1 -4  20  27 o 23.614  3.9513  81.936    24.108    0.0000    0.0000    81.936    24.108    ?       ?       23.614  3.9513  ?              ?        
1 1 1 -4  20  28 o 19.491  3.0735  58.081    15.784    72.879    22.534    43.828    22.116    22.163  3.9402  16.818  4.7179  5.345619       6.146905 
1 1 1 -4  20  29 o 17.503  2.9815  47.056    14.051    60.601    20.269    34.527    19.495    20.067  3.9117  14.940  4.5008  5.127140       5.963084 
1 1 1 -4  21  1  o 108.668 2.5318  1586.61   73.690    1573.98   103.764   1599.46   104.667   108.231 3.5794  109.104 3.5816  -0.8723602     5.063591 
1 1 1 -4  21  2  o 85.014  2.2349  970.800   50.881    987.505   71.735    953.886   72.181    85.753  3.1232  84.275  3.1977  1.477852       4.469800 
1 1 1 -4  21  3  o 28.323  2.0346  108.811   15.220    107.382   21.498    110.247   21.551    28.133  2.8943  28.514  2.8604  -0.3811684     4.069226 
1 1 1 -4  21  4  o 71.825  2.1088  693.028   40.566    697.270   57.180    688.729   57.560    72.048  2.9630  71.602  3.0013  0.4454193      4.217501 
1 1 1 -4  21  5  o 110.983 5.3667  1667.78   159.535   0.0000    0.0000    1667.78   159.535   ?       ?       110.983 5.3667  ?              ?        
1 1 1 -4  21  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  21  7  o 79.010  2.2325  840.091   47.244    850.733   67.059    829.604   66.570    79.508  3.1489  78.512  3.1656  0.9955750      4.465009 
1 1 1 -4  21  8  o 64.381  2.0473  557.670   35.301    568.800   50.204    546.786   49.646    65.018  2.8828  63.744  2.9077  1.273201       4.094588 
1 1 1 -4  21  9  o 40.708  1.9287  224.433   20.848    206.069   29.527    242.690   29.441    39.021  2.8447  42.396  2.6052  -3.375366      3.857407 
1 1 1 -4  21  10 o 56.061  2.0020  424.240   29.991    410.955   42.566    437.336   42.263    55.144  2.8920  56.978  2.7693  -1.833977      4.004030 
1 1 1 -4  21  11 o 46.828  1.9634  296.688   24.516    297.653   34.839    295.742   34.504    46.903  2.7857  46.754  2.7676  0.1482468      3.926812 
1 1 1 -4  21  12 o 7.5969  2.2304  0.5040    7.7011    6.3259    11.139    -4.8273   10.659    8.6376  3.3567  6.5562  2.9380  2.081345       4.460887 
1 1 1 -4  21  13 o 101.219 2.5362  1391.88   68.759    1404.99   97.643    1378.98   96.841    101.693 3.5848  100.745 3.5888  0.9472885      5.072459 
1 1 1 -4  21  14 o 35.200  2.0318  169.382   18.876    150.225   26.793    188.258   26.596    33.167  3.0502  37.233  2.6849  -4.066551      4.063548 
1 1 1 -4  21  15 o 47.387  2.0196  304.954   25.463    331.211   36.509    280.085   35.532    49.399  2.7705  45.374  2.9394  4.024067       4.039279 
1 1 1 -4  21  16 o 55.159  2.0875  414.404   30.688    393.512   43.603    434.910   43.198    53.750  3.0411  56.568  2.8603  -2.818207      4.174907 
1 1 1 -4  21  17 o 46.027  2.0489  288.962   25.123    283.274   35.734    294.521   35.327    45.565  2.9436  46.490  2.8508  -0.9254608     4.097804 
1 1 1 -4  21  18 o 39.845  3.0563  217.702   32.369    217.702   32.369    0.0000    0.0000    39.845  3.0563  ?       ?       ?              ?        
1 1 1 -4  21  19 o 55.128  2.1264  416.460   31.262    434.197   44.449    399.098   43.977    56.313  2.9572  53.943  3.0563  2.370476       4.252794 
1 1 1 -4  21  20 o 39.474  2.1400  215.414   22.366    196.512   31.802    233.914   31.461    37.688  3.1801  41.260  2.8645  -3.571819      4.280007 
1 1 1 -4  21  21 o 61.730  2.1721  525.595   35.845    516.474   50.826    534.620   50.560    61.137  3.1141  62.323  3.0288  -1.185520      4.344108 
1 1 1 -4  21  22 o 30.686  2.2805  132.402   18.383    123.023   26.425    141.197   25.589    29.544  3.4014  31.828  3.0385  -2.283655      4.560936 
1 1 1 -4  21  23 o 25.172  2.4732  90.251    16.132    102.460   23.317    79.041    22.342    26.908  3.3046  23.436  3.6805  3.472668       4.946370 
1 1 1 -4  21  24 o 11.661  2.8131  16.991    11.137    27.468    15.970    7.0717    15.539    13.690  4.0621  9.6325  3.8926  4.057629       5.626117 
1 1 1 -4  21  25 o 37.167  2.2700  194.948   22.371    201.108   31.905    188.990   31.375    37.764  3.1840  36.571  3.2364  1.192715       4.540061 
1 1 1 -4  21  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  21  27 o 9.7943  2.7990  3.5627    12.191    18.357    17.893    -9.2576   16.656    11.844  4.3287  7.7446  3.5496  4.099433       5.597957 
1 1 1 -4  21  28 f 28.936  2.5526  123.160   19.269    111.672   27.110    134.890   27.394    27.427  3.7916  30.444  3.4185  -3.016678      5.105105 
1 1 1 -4  22  1  o 130.257 2.8291  2285.06   98.703    2267.35   138.944   2303.10   140.240   129.748 3.9981  130.766 4.0040  -1.017685      5.658292 
1 1 1 -4  22  2  o 50.600  2.3331  355.729   29.864    309.086   48.821    383.615   37.750    47.751  3.8498  53.448  2.6369  -5.696926      4.666281 
1 1 1 -4  22  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  22  4  o 140.786 3.0310  2677.89   114.274   2611.27   161.290   2745.04   161.927   139.015 4.3317  142.558 4.2407  -3.542496      6.061959 
1 1 1 -4  22  5  o 51.578  1.9553  358.826   26.907    366.651   37.987    350.946   38.119    52.149  2.7290  51.007  2.8008  1.141418       3.910506 
1 1 1 -4  22  6  o 83.095  2.2330  930.334   49.699    934.986   70.319    925.691   70.251    83.303  3.1515  82.886  3.1643  0.4171524      4.466010 
1 1 1 -4  22  7  o 15.029  2.5456  31.728    10.345    42.569    14.774    21.301    14.489    17.485  3.2750  12.573  3.8982  4.912224       5.091279 
1 1 1 -4  22  8  o 91.013  2.3690  1119.24   57.747    1137.82   81.896    1100.87   81.438    91.768  3.3318  90.257  3.3687  1.511314       4.738032 
1 1 1 -4  22  9  o 95.616  2.4382  1237.65   62.441    1229.36   88.571    1245.83   88.041    95.291  3.4702  95.941  3.4261  -0.6495743     4.876457 
1 1 1 -4  22  10 o 26.290  2.1503  94.839    14.816    87.893    21.057    101.649   20.850    25.296  3.1780  27.284  2.8974  -1.988028      4.300577 
1 1 1 -4  22  11 o 43.308  1.9850  254.563   22.892    247.825   32.515    261.185   32.235    42.727  2.8576  43.889  2.7561  -1.161713      3.970077 
1 1 1 -4  22  12 o 28.709  2.1060  112.747   15.959    113.197   22.639    112.302   22.499    28.766  2.9816  28.652  2.9750  0.1136913      4.211955 
1 1 1 -4  22  13 o 31.361  2.1283  134.966   17.377    163.762   25.016    108.118   24.155    34.694  2.7136  28.029  3.2795  6.665613       4.256644 
1 1 1 -4  22  14 o 54.327  2.0596  401.809   29.816    379.272   42.318    424.026   42.016    52.781  3.0058  55.872  2.8166  -3.090694      4.119244 
1 1 1 -4  22  15 o 11.164  2.7387  15.219    10.173    10.404    14.554    19.819    14.226    10.204  3.8694  12.124  3.8767  -1.920750      5.477323 
1 1 1 -4  22  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  22  17 o 27.863  2.2848  107.787   16.700    101.852   23.791    113.552   23.447    27.060  3.3542  28.666  3.1033  -1.605118      4.569637 
1 1 1 -4  22  18 o 57.541  2.1381  454.548   32.832    466.158   46.703    443.205   46.164    58.279  3.0021  56.803  3.0453  1.476391       4.276217 
1 1 1 -4  22  19 o 10.698  2.7944  11.575    11.153    20.516    15.569    2.1492    15.985    12.301  4.0647  9.0949  3.8357  3.206505       5.588718 
1 1 1 -4  22  20 o 29.535  2.3034  123.099   17.719    106.952   25.425    138.346   24.706    27.505  3.5328  31.565  2.9567  -4.059406      4.606788 
1 1 1 -4  22  21 o 34.031  2.2109  161.882   19.916    164.498   28.747    159.467   27.617    34.279  3.1667  33.783  3.0861  0.4957123      4.421771 
1 1 1 -4  22  22 o 19.860  2.8010  58.294    14.364    72.521    20.482    44.528    20.148    22.473  3.5181  17.246  4.3595  5.227341       5.601984 
1 1 1 -4  22  23 o 34.001  2.3140  163.590   20.727    147.275   29.080    180.438   29.550    32.177  3.4268  35.824  3.1105  -3.646603      4.627952 
1 1 1 -4  22  24 o 27.609  2.5103  109.525   18.132    110.378   25.871    108.701   25.420    27.706  3.5692  27.512  3.5310  0.1944160      5.020666 
1 1 1 -4  22  25 o 27.777  2.6169  112.173   18.926    121.457   26.906    103.081   26.627    29.023  3.5342  26.531  3.8603  2.491877       5.233771 
1 1 1 -4  22  26 o 26.469  2.6451  103.026   18.202    102.327   26.387    103.661   25.140    26.309  3.8593  26.629  3.6185  -0.3198433     5.290297 
1 1 1 -4  22  27 o 23.744  2.9692  90.030    17.604    134.645   25.070    46.639    24.724    30.571  3.1047  16.918  5.0622  13.65353       5.938421 
1 1 1 -4  23  1  o 58.731  1.9702  463.857   30.983    475.758   43.720    451.851   43.913    59.491  2.7437  57.971  2.8281  1.520775       3.940336 
1 1 1 -4  23  2  o 53.307  1.9559  383.099   27.831    403.996   39.261    361.990   39.459    54.817  2.6740  51.797  2.8552  3.019779       3.911822 
1 1 1 -4  23  3  o 33.286  1.9432  150.084   17.158    143.402   24.172    156.869   24.359    32.527  2.8018  34.045  2.6932  -1.518291      3.886346 
1 1 1 -4  23  4  o 77.972  2.1765  819.452   45.454    822.877   64.141    815.995   64.424    78.138  3.0647  77.806  3.0913  0.3317337      4.353016 
1 1 1 -4  23  5  o 18.092  2.4539  45.835    11.443    48.961    15.931    42.503    16.446    18.775  3.2876  17.408  3.6440  1.366957       4.907852 
1 1 1 -4  23  6  o 52.073  1.9874  366.648   27.616    361.886   38.974    371.450   39.136    51.730  2.8235  52.416  2.7977  -0.6856575     3.974786 
1 1 1 -4  23  7  o 52.623  1.9991  374.758   28.070    382.364   39.774    367.210   39.621    53.161  2.8032  52.085  2.8509  1.075996       3.998180 
1 1 1 -4  23  8  o 47.105  1.9733  300.779   24.761    316.013   35.076    285.645   34.960    48.312  2.7217  45.898  2.8579  2.413475       3.946581 
1 1 1 -4  23  9  f 24.428  2.1907  82.604    13.831    95.990    19.562    69.225    19.558    26.509  2.7974  22.348  3.3721  4.160225       4.381420 
1 1 1 -4  23  10 o 83.454  2.2989  945.224   51.382    931.233   72.801    959.112   72.530    82.828  3.2815  84.080  3.2206  -1.251358      4.597852 
1 1 1 -4  23  11 o 69.212  2.1742  649.758   40.305    655.987   57.246    643.635   56.757    69.542  3.0734  68.883  3.0762  0.6586609      4.348411 
1 1 1 -4  23  12 o 19.049  2.6087  51.332    12.801    61.825    18.329    41.339    17.886    21.061  3.3622  17.038  3.9897  4.023235       5.217462 
1 1 1 -4  23  13 o 64.111  2.1697  558.842   37.248    577.029   53.145    541.283   52.221    65.143  3.0458  63.079  3.0908  2.064140       4.339389 
1 1 1 -4  23  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  23  15 o 22.089  2.4699  68.555    14.044    78.783    20.173    58.938    19.562    23.786  3.2515  20.391  3.7188  3.395226       4.939792 
1 1 1 -4  23  16 o 25.435  2.3082  89.949    15.305    100.166   22.210    80.708    21.121    26.862  3.1465  24.008  3.3780  2.854078       4.616390 
1 1 1 -4  23  17 o 28.547  2.4234  115.155   17.787    92.046    25.129    138.360   25.181    25.473  3.7992  31.620  3.0095  -6.147110      4.846748 
1 1 1 -4  23  18 o 22.531  2.5776  72.372    15.023    73.480    21.253    71.266    21.239    22.718  3.6137  22.344  3.6767  0.3743706      5.155293 
1 1 1 -4  23  19 o 26.845  2.3550  101.658   16.530    109.858   23.614    93.779    23.146    27.967  3.2106  25.722  3.4462  2.244606       4.710001 
1 1 1 -4  23  20 o 33.515  2.2995  158.042   20.382    158.323   28.976    157.768   28.674    33.537  3.2672  33.493  3.2367  0.4418564E-01  4.598981 
1 1 1 -4  23  21 o 14.056  3.0335  28.902    12.571    24.212    17.806    33.563    17.751    13.088  4.3480  15.023  4.2311  -1.934766      6.066904 
1 1 1 -4  23  22 o 28.716  2.5140  118.238   18.913    122.544   26.890    114.021   26.608    29.269  3.4994  28.164  3.6103  1.105066       5.027935 
1 1 1 -4  23  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  23  24 o 11.562  2.9538  15.072    12.684    28.410    17.938    1.7381    17.936    13.806  4.3468  9.3178  4.0007  4.488225       5.907628 
1 1 1 -4  23  25 f 17.857  3.1072  49.045    15.033    64.527    22.025    35.543    20.569    20.593  4.1367  15.121  4.6374  5.472117       6.214315 
1 1 1 -4  24  1  o 56.163  1.9512  425.158   29.298    413.225   41.164    437.409   41.708    55.327  2.7867  56.999  2.7319  -1.672890      3.902390 
1 1 1 -4  24  2  o 18.451  2.3976  47.824    11.342    38.202    16.041    57.445    16.039    16.480  3.7220  20.422  3.0235  -3.942459      4.795295 
1 1 1 -4  24  3  o 29.776  2.0111  120.800   15.817    127.173   22.232    114.267   22.508    30.597  2.7419  28.956  2.9429  1.640057       4.022263 
1 1 1 -4  24  4  o 72.828  2.1599  716.578   42.131    708.828   59.480    724.383   59.685    72.430  3.0659  73.225  3.0431  -0.7952194     4.319762 
1 1 1 -4  24  5  o 104.114 2.5357  1471.19   70.693    1427.84   99.766    1514.89   100.184   102.556 3.6319  105.672 3.5396  -3.115768      5.071402 
1 1 1 -4  24  6  o 81.966  2.2463  910.119   49.307    929.216   69.695    890.983   69.766    82.837  3.1412  81.094  3.2119  1.742424       4.492590 
1 1 1 -4  24  7  f 53.404  2.0435  386.979   29.110    374.544   41.098    399.498   41.238    52.530  2.9327  54.277  2.8465  -1.747498      4.086957 
1 1 1 -4  24  8  o 31.948  2.0489  139.497   17.265    154.663   24.572    124.709   24.263    33.710  2.7452  30.187  3.0423  3.522850       4.097800 
1 1 1 -4  24  9  o 51.022  2.0398  353.960   27.734    335.640   39.161    372.392   39.283    49.674  2.9567  52.370  2.8107  -2.695831      4.079510 
1 1 1 -4  24  10 o 53.250  2.0619  385.892   29.267    407.096   41.555    365.022   41.225    54.726  2.8447  51.774  2.9854  2.952209       4.123729 
1 1 1 -4  24  11 o 30.735  2.1650  129.635   17.513    144.388   25.177    115.804   24.377    32.477  2.9257  28.993  3.1919  3.483543       4.329925 
1 1 1 -4  24  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  24  13 o 72.390  2.2685  716.872   43.976    736.478   62.542    697.700   61.847    73.381  3.1820  71.398  3.2340  1.982498       4.536931 
1 1 1 -4  24  14 o 21.750  2.6954  69.405    14.678    40.163    20.566    99.762    20.954    16.637  4.5045  26.863  2.9615  -10.22565      5.390799 
1 1 1 -4  24  15 o 15.651  2.8422  35.290    12.587    50.740    17.887    20.135    17.716    18.830  3.6785  12.473  4.3338  6.356613       5.684470 
1 1 1 -4  24  16 o 56.255  2.2144  437.641   33.217    456.460   47.320    419.360   46.639    57.477  3.0850  55.034  3.1775  2.443218       4.428721 
1 1 1 -4  24  17 o 16.268  2.9664  39.004    13.236    29.438    18.710    48.586    18.727    14.290  4.4295  18.245  3.9468  -3.954274      5.932771 
1 1 1 -4  24  18 o 33.065  2.3365  155.247   19.765    199.029   28.426    114.268   27.501    37.873  2.8224  28.256  3.7245  9.617702       4.673070 
1 1 1 -4  24  19 o 28.230  2.4479  113.535   18.077    122.489   25.769    104.860   25.364    29.401  3.3311  27.060  3.5880  2.340874       4.895877 
1 1 1 -4  24  20 o 10.892  2.8723  14.000    11.247    12.920    16.006    15.053    15.809    10.710  4.0586  11.074  4.0655  -0.3644781     5.744649 
1 1 1 -4  24  21 o 27.534  2.5201  109.020   18.149    109.450   25.790    108.597   25.545    27.583  3.5748  27.485  3.5531  0.9801865E-01  5.040242 
1 1 1 -4  24  22 o 20.166  2.9660  62.121    16.271    101.910   23.649    26.354    22.421    26.632  3.3923  13.700  4.8663  12.93151       5.931934 
1 1 1 -4  24  23 o 14.457  3.1621  31.722    13.854    22.811    20.055    39.855    19.160    12.816  4.5969  16.098  4.3433  -3.282165      6.324184 
1 1 1 -4  24  24 o 21.816  3.0045  73.340    16.915    78.157    23.810    68.430    24.036    22.671  4.0705  20.961  4.4203  1.710197       6.008975 
1 1 1 -4  25  1  o 34.369  1.9331  160.366   17.643    161.132   24.690    159.566   25.220    34.460  2.6965  34.278  2.7705  0.1813812      3.866137 
1 1 1 -4  25  2  o 71.047  2.1181  682.761   40.286    705.320   56.823    659.963   57.124    72.240  2.9367  69.853  3.0531  2.387047       4.236198 
1 1 1 -4  25  3  o 31.691  1.9954  136.784   16.759    135.429   23.793    138.118   23.609    31.529  2.8482  31.853  2.7954  -0.3239403     3.990815 
1 1 1 -4  25  4  f 49.555  1.9964  333.115   26.389    332.212   37.142    334.035   37.499    49.489  2.8136  49.621  2.8331  -0.1317253     3.992867 
1 1 1 -4  25  5  f 55.126  2.0226  412.344   29.752    398.471   41.892    426.464   42.262    54.178  2.8973  56.073  2.8230  -1.894596      4.045157 
1 1 1 -4  25  6  o 42.022  1.9858  240.045   22.202    226.816   31.141    253.719   31.662    40.827  2.8659  43.217  2.7495  -2.390362      3.971523 
1 1 1 -4  25  7  o 63.038  2.0875  539.010   35.245    531.756   49.760    546.314   49.928    62.608  2.9673  63.468  2.9370  -0.8594627     4.175031 
1 1 1 -4  25  8  o 17.642  2.6604  44.271    12.213    36.652    17.159    52.096    17.388    16.032  4.0070  19.253  3.5006  -3.221786      5.320757 
1 1 1 -4  25  9  o 43.449  2.0733  257.710   23.986    259.941   33.976    255.493   33.869    43.640  2.9236  43.258  2.9405  0.3812943      4.146571 
1 1 1 -4  25  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  25  11 o 32.351  2.1929  144.323   18.757    138.690   26.509    149.971   26.542    31.695  3.1650  33.008  3.0362  -1.313297      4.385817 
1 1 1 -4  25  12 o 43.990  2.1145  266.037   24.739    252.369   34.994    279.691   34.978    42.825  3.0711  45.156  2.9074  -2.330391      4.229040 
1 1 1 -4  25  13 o 11.088  2.9082  13.873    11.497    12.747    16.193    15.018    16.328    10.867  4.0906  11.310  4.1348  -0.4430799     5.816340 
1 1 1 -4  25  14 o 15.864  3.0317  36.776    13.220    40.149    18.752    33.443    18.639    16.563  4.2162  15.166  4.3576  1.396454       6.063411 
1 1 1 -4  25  15 o 10.080  2.7903  9.3057    10.971    11.286    15.645    7.3895    15.388    10.442  3.9993  9.7172  3.8923  0.7247181      5.580693 
1 1 1 -4  25  16 o 15.610  2.7723  35.013    12.602    15.026    17.468    56.705    18.198    11.378  4.2554  19.842  3.5546  -8.464067      5.544681 
1 1 1 -4  25  17 o 46.745  2.2078  305.694   27.475    315.797   39.019    295.760   38.693    47.540  3.0809  45.950  3.1631  1.590263       4.415524 
1 1 1 -4  25  18 o 27.687  2.6254  111.339   18.589    88.712    26.191    134.310   26.389    24.565  4.1269  30.810  3.2466  -6.244959      5.250901 
1 1 1 -4  25  19 o 12.449  2.8605  18.320    12.828    -2.7877   18.447    38.083    17.850    8.9524  3.9465  15.946  4.1419  -6.993766      5.721065 
1 1 1 -4  25  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  25  21 o 15.017  2.9153  31.853    13.985    57.851    20.063    7.2833    19.505    19.673  3.9449  10.362  4.2935  9.310627       5.830680 
1 1 1 -4  25  22 o 27.046  2.7689  109.150   19.313    124.616   27.561    94.229    27.070    29.160  3.6056  24.932  4.2031  4.227793       5.537702 
1 1 1 -4  26  1  o 23.218  2.2704  75.139    13.279    53.343    18.351    99.097    19.240    19.491  3.6493  26.946  2.7022  -7.454884      4.540817 
1 1 1 -4  26  2  o 49.264  1.9645  329.668   25.784    347.478   36.407    311.746   36.521    50.623  2.6947  47.904  2.8594  2.718822       3.929060 
1 1 1 -4  26  3  o 44.230  1.9903  266.298   23.379    241.112   32.910    291.960   33.219    42.079  2.9384  46.382  2.6854  -4.303703      3.980639 
1 1 1 -4  26  4  o 66.303  2.1215  596.560   37.675    592.663   53.146    600.497   53.416    66.085  3.0025  66.521  2.9979  -0.4366684     4.242941 
1 1 1 -4  26  5  o 42.190  2.0265  242.797   22.716    225.186   32.078    260.514   32.173    40.620  2.9689  43.759  2.7591  -3.139099      4.053008 
1 1 1 -4  26  6  o 60.046  2.1008  490.822   33.691    463.854   47.422    518.308   47.875    58.319  3.0464  61.773  2.8935  -3.454716      4.201521 
1 1 1 -4  26  7  o 21.451  2.4693  65.510    13.460    79.394    18.844    51.047    19.233    23.973  3.0004  18.928  3.9225  5.044363       4.938509 
1 1 1 -4  26  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  26  9  o 19.142  2.6107  52.089    12.897    49.332    17.988    55.006    18.501    18.595  3.7411  19.688  3.6426  -1.092472      5.221485 
1 1 1 -4  26  10 o 45.276  2.1405  282.168   25.780    295.745   36.372    268.461   36.545    46.409  2.9412  44.143  3.1107  2.265965       4.281009 
1 1 1 -4  26  11 o 34.204  2.2181  162.495   20.008    178.514   28.342    146.581   28.249    35.960  2.9691  32.448  3.2961  3.512520       4.436197 
1 1 1 -4  26  12 o 7.1177  2.2775  -6.5626   9.2847    -6.3414   12.632    -6.8225   13.694    6.9759  3.1558  7.2595  3.2848  -0.2836099     4.555072 
1 1 1 -4  26  13 o 40.600  2.2036  229.534   23.742    215.707   33.557    243.392   33.595    39.320  3.2143  41.880  3.0151  -2.559612      4.407110 
1 1 1 -4  26  14 o 41.798  2.2123  244.480   24.417    277.754   34.799    212.212   34.269    44.729  2.9207  38.868  3.3237  5.861168       4.424625 
1 1 1 -4  26  15 o 40.942  2.2504  235.328   24.460    225.555   34.708    244.972   34.478    40.045  3.2643  41.840  3.0986  -1.794689      4.500727 
1 1 1 -4  26  16 o 18.503  3.0252  51.332    14.741    58.095    20.916    44.659    20.777    19.806  4.0785  17.200  4.4692  2.606321       6.050487 
1 1 1 -4  26  17 o 44.865  2.2824  283.770   27.237    292.212   38.681    275.468   38.358    45.556  3.1902  44.175  3.2650  1.381031       4.564795 
1 1 1 -4  26  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  26  19 o 24.487  2.8749  89.595    17.826    115.815   25.732    65.401    24.718    28.341  3.4617  20.633  4.5910  7.708109       5.749841 
1 1 1 -4  26  20 o 31.188  2.5862  142.206   21.192    143.362   30.207    141.085   29.740    31.303  3.6725  31.072  3.6425  0.2311573      5.172488 
1 1 1 -4  26  21 o 9.9577  2.8888  5.6018    12.877    16.821    18.473    -5.0026   17.959    11.487  4.3585  8.4286  3.7925  3.058213       5.777523 
1 1 1 -4  27  1  o 58.016  2.0426  457.202   31.681    461.499   44.487    452.780   45.126    58.338  2.8470  57.693  2.9298  0.6457787      4.085279 
1 1 1 -4  27  2  o 48.337  1.9974  317.941   25.745    311.376   36.145    324.702   36.678    47.826  2.8342  48.847  2.8153  -1.021111      3.994779 
1 1 1 -4  27  3  o 43.983  2.0117  264.048   23.503    240.532   33.082    288.013   33.397    41.963  2.9623  46.003  2.7225  -4.040218      4.023346 
1 1 1 -4  27  4  o 29.880  2.1301  122.849   16.779    114.268   23.667    131.521   23.792    28.793  3.1187  30.968  2.9022  -2.175035      4.260123 
1 1 1 -4  27  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  27  6  o 26.077  2.3045  94.447    15.736    98.694    22.549    90.415    21.970    26.666  3.2224  25.487  3.2955  1.179361       4.609089 
1 1 1 -4  27  7  o 36.359  2.1457  182.928   20.538    158.501   29.067    207.280   29.023    33.835  3.2472  38.882  2.8056  -5.046970      4.291344 
1 1 1 -4  27  8  o 37.434  2.1602  193.412   21.468    189.917   30.182    196.992   30.542    37.085  3.0659  37.782  3.0439  -0.6969986     4.320316 
1 1 1 -4  27  9  o 68.983  2.2546  656.031   41.656    648.032   58.709    664.140   59.113    68.554  3.1973  69.412  3.1795  -0.8578415     4.509119 
1 1 1 -4  27  10 o 20.873  2.7742  64.452    14.762    39.946    20.741    89.608    21.015    16.461  4.5516  25.284  3.1729  -8.822893      5.548390 
1 1 1 -4  27  11 f 44.197  2.1641  271.619   25.421    254.459   35.829    289.014   36.073    42.736  3.1523  45.659  2.9657  -2.922150      4.328135 
1 1 1 -4  27  12 o 15.712  2.9955  36.558    12.905    34.196    18.075    39.014    18.432    15.207  4.2648  16.217  4.2074  -1.009573      5.990910 
1 1 1 -4  27  13 o 28.950  2.3848  118.839   18.036    104.269   25.045    134.534   25.994    27.003  3.5488  30.898  3.1866  -3.895618      4.769524 
1 1 1 -4  27  14 o 58.334  2.2794  478.266   35.448    458.286   50.170    498.183   50.091    57.051  3.2973  59.617  3.1481  -2.565941      4.558771 
1 1 1 -4  27  15 o 24.708  2.7307  89.337    17.405    82.494    25.024    95.749    24.223    23.648  4.0992  25.768  3.6086  -2.119070      5.461333 
1 1 1 -4  27  16 o 7.0394  3.5158  -67.2178  27.230    0.0000    0.0000    -67.2178  27.230    ?       ?       7.0394  3.5158  ?              ?        
1 1 1 -4  27  17 o 18.905  3.2163  54.929    16.106    58.653    22.847    51.249    22.708    19.595  4.4540  18.215  4.6411  1.380123       6.432597 
1 1 1 -4  27  18 o 14.280  3.2711  30.620    14.471    37.092    20.561    24.268    20.370    15.478  4.6129  13.083  4.6392  2.395691       6.542249 
1 1 1 -4  27  19 f 38.507  2.4545  215.835   24.936    240.785   35.917    192.618   34.647    40.801  3.3152  36.214  3.6204  4.587032       4.908998 
1 1 1 -4  28  1  o 20.497  2.5093  59.767    13.154    70.332    18.451    48.849    18.757    22.496  3.1485  18.498  3.9081  3.997416       5.018579 
1 1 1 -4  28  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  28  3  o 37.386  2.9978  192.074   29.767    192.074   29.767    0.0000    0.0000    37.386  2.9978  ?       ?       ?              ?        
1 1 1 -4  28  4  o 29.475  2.1403  120.100   16.581    107.078   23.161    133.789   23.747    27.776  3.1700  31.174  2.8765  -3.397770      4.280538 
1 1 1 -4  28  5  o 8.9621  2.1498  -0.9582   8.3652    -21.4722  11.343    23.502    12.386    5.0911  2.4907  12.833  3.5046  -7.742056      4.299527 
1 1 1 -4  28  6  o 23.517  2.5498  79.243    15.124    102.479   21.688    57.247    21.102    27.155  3.0337  19.879  4.0992  7.275665       5.099672 
1 1 1 -4  28  7  o 30.287  2.2533  128.205   17.951    118.826   25.499    137.419   25.274    29.122  3.3288  31.452  3.0379  -2.330740      4.506672 
1 1 1 -4  28  8  o 12.814  2.9818  22.638    11.909    19.498    16.841    25.779    16.843    12.172  4.2257  13.457  4.2080  -1.284880      5.963532 
1 1 1 -4  28  9  o 25.758  2.4818  94.642    16.536    107.656   23.513    81.906    23.260    27.652  3.2359  23.864  3.7637  3.787788       4.963524 
1 1 1 -4  28  10 o 19.556  2.7409  56.218    13.831    66.626    19.623    45.941    19.499    21.532  3.5244  17.581  4.1986  3.950863       5.481743 
1 1 1 -4  28  11 o 14.760  3.0931  31.853    13.311    24.183    18.398    40.277    19.281    13.126  4.4204  16.393  4.3276  -3.267068      6.186131 
1 1 1 -4  28  12 o 26.462  2.5812  100.923   17.808    100.439   25.138    101.412   25.230    26.395  3.6535  26.528  3.6473  -0.1327190     5.162461 
1 1 1 -4  28  13 o 45.327  2.2823  289.981   27.498    304.884   38.953    275.177   38.823    46.553  3.1424  44.101  3.3108  2.451668       4.564656 
1 1 1 -4  28  14 o 37.522  3.4429  200.888   34.216    0.0000    0.0000    200.888   34.216    ?       ?       37.522  3.4429  ?              ?        
1 1 1 -4  28  15 o 16.196  3.1763  39.540    15.413    59.600    21.835    19.620    21.760    19.863  4.2337  12.529  4.7361  7.333474       6.352518 
1 1 1 -4  28  16 o 27.068  2.6998  108.251   18.965    101.588   27.169    114.583   26.487    26.117  4.0121  28.018  3.6136  -1.900511      5.399554 
1 1 1 -4  28  17 o 45.514  2.4094  300.410   29.099    279.919   41.063    321.080   41.241    43.824  3.5282  47.204  3.2823  -3.379791      4.818835 
1 1 1 -4  29  1  o 30.742  2.1567  131.005   17.468    140.581   24.556    121.196   24.853    31.937  2.9022  29.546  3.1911  2.391481       4.313483 
1 1 1 -4  29  2  o 43.174  2.0650  256.292   23.728    246.329   33.102    266.822   34.031    42.301  2.9399  44.048  2.9007  -1.747524      4.129982 
1 1 1 -4  29  3  o 20.851  2.6940  62.691    14.438    69.737    20.153    55.262    20.693    22.185  3.5083  19.517  4.0893  2.667812       5.388028 
1 1 1 -4  29  4  o 12.050  2.9416  18.870    11.505    16.816    15.557    21.350    17.092    11.506  4.0570  12.594  4.2606  -1.087911      5.883171 
1 1 1 -4  29  5  o 22.566  2.5481  72.734    14.734    59.364    20.408    87.288    21.293    20.239  3.9062  24.893  3.2729  -4.654020      5.096138 
1 1 1 -4  29  6  o 22.353  2.5901  71.699    14.870    60.283    20.596    84.130    21.491    20.353  3.9201  24.353  3.3864  -3.999365      5.180263 
1 1 1 -4  29  7  o 17.139  2.5832  44.204    13.242    80.867    18.603    6.5484    18.853    23.998  2.9566  10.279  4.2368  13.71860       5.166441 
1 1 1 -4  29  8  o 23.037  2.6671  76.950    15.873    81.524    22.583    72.485    22.315    23.775  3.6639  22.300  3.8768  1.475403       5.334239 
1 1 1 -4  29  9  o 10.582  2.8652  9.5550    12.270    21.460    16.902    -3.7091   17.841    12.453  4.2367  8.7110  3.8585  3.742359       5.730447 
1 1 1 -4  29  10 o 12.651  3.0469  21.857    12.610    15.225    17.810    28.524    17.857    11.378  4.2887  13.923  4.3293  -2.544989      6.093888 
1 1 1 -4  29  11 o 10.880  2.6928  10.959    11.369    28.638    15.921    -7.4332   16.239    13.901  4.0370  7.8593  3.5646  6.041379       5.385563 
1 1 1 -4  29  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  29  13 o 45.919  2.3915  301.914   29.071    330.974   41.023    272.601   41.202    48.312  3.1881  43.526  3.5654  4.785564       4.782905 
1 1 1 -4  29  14 o 40.625  2.3970  237.443   25.843    236.772   36.676    238.105   36.421    40.553  3.4081  40.698  3.3715  -0.1446228     4.793960 
1 1 1 -4  29  15 o 26.507  2.7694  105.613   18.938    117.235   26.662    93.777    26.905    28.209  3.6116  24.805  4.1993  3.403551       5.538804 
1 1 1 -4  30  1  o 14.218  2.7090  27.716    12.254    49.813    17.215    5.0176    17.448    18.615  3.5827  9.8205  4.0643  8.794505       5.417962 
1 1 1 -4  30  2  o 8.8167  2.5669  3.2184    10.090    9.3243    13.681    -4.0665   14.943    9.6864  3.7323  7.9470  3.5251  1.739381       5.133882 
1 1 1 -4  30  3  o 14.349  3.0133  30.156    12.466    32.802    17.095    27.152    18.217    14.931  4.1336  13.768  4.3854  1.163687       6.026501 
1 1 1 -4  30  4  o 17.098  2.9576  43.120    13.446    37.591    18.327    49.565    19.786    15.902  4.2294  18.293  4.1354  -2.390612      5.915133 
1 1 1 -4  30  5  o 32.139  2.2487  145.566   19.091    146.608   26.602    144.458   27.416    32.291  3.1143  31.987  3.2448  0.3040295      4.497478 
1 1 1 -4  30  6  o 17.221  2.8690  44.978    13.788    66.594    19.383    22.838    19.617    21.488  3.4871  12.953  4.5569  8.535848       5.738085 
1 1 1 -4  30  7  f 33.354  2.3516  158.548   20.543    180.194   29.117    137.095   28.987    35.787  3.0672  30.920  3.5654  4.866388       4.703177 
1 1 1 -4  30  8  o 14.718  3.0859  32.341    13.453    41.677    18.706    22.338    19.362    16.638  4.1976  12.799  4.5246  3.839653       6.171845 
1 1 1 -4  30  9  f 26.932  2.6610  105.784   18.551    117.384   26.197    94.117    26.274    28.581  3.4948  25.284  4.0138  3.297651       5.322098 
1 1 1 -4  30  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  30  11 o 14.847  3.2366  33.515    14.313    39.500    20.125    27.391    20.360    16.014  4.5035  13.681  4.6499  2.332590       6.473258 
1 1 1 -4  30  12 o 25.102  2.7258  93.541    17.712    86.918    24.768    100.474   25.339    24.103  3.9752  26.101  3.7306  -1.998522      5.451561 
1 1 1 -4  30  13 o 13.851  3.1536  29.025    13.811    38.980    19.322    18.628    19.747    15.756  4.4063  11.946  4.5127  3.809875       6.307125 
1 1 1 -4  31  1  o 20.654  2.6768  62.473    14.077    41.473    19.333    86.170    20.537    16.646  4.3043  24.663  3.1832  -8.017118      5.353508 
1 1 1 -4  31  2  o 13.013  2.9794  24.130    11.875    21.601    16.470    26.867    17.138    12.447  4.1824  13.579  4.2444  -1.131756      5.958810 
1 1 1 -4  31  3  o 19.289  2.8556  54.868    14.347    39.469    19.546    72.856    21.125    16.171  4.3969  22.408  3.6450  -6.236351      5.711263 
1 1 1 -4  31  4  o 25.622  2.5031  94.566    16.711    93.553    23.247    95.650    24.039    25.499  3.4958  25.744  3.5834  -0.2445831     5.006122 
1 1 1 -4  31  5  o 37.688  2.2903  201.452   22.870    208.247   32.063    194.415   32.629    38.398  3.1451  36.978  3.3301  1.419903       4.580568 
1 1 1 -4  31  6  o 34.188  2.3230  166.375   20.992    171.740   29.504    160.874   29.873    34.800  3.2012  33.575  3.3672  1.224781       4.646030 
1 1 1 -4  31  7  o 19.262  3.0790  56.311    15.518    60.159    22.202    52.634    21.700    19.952  4.2825  18.572  4.4251  1.380081       6.158009 
1 1 1 -4  31  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  31  9  o 21.151  3.0783  69.896    16.968    94.145    23.958    45.489    24.035    25.348  3.6326  16.954  4.9707  8.394152       6.156585 
1 1 1 -4  31  10 o 16.694  3.2237  44.308    15.372    56.995    21.201    30.247    22.320    19.245  4.2285  14.142  4.8672  5.102426       6.447489 
1 1 1 -4  31  11 o 21.344  3.1385  71.656    17.397    56.474    24.260    87.726    24.960    18.681  4.8173  24.006  4.0243  -5.325127      6.277049 
1 1 1 -4  32  1  o 22.812  2.7675  76.588    16.290    74.794    22.544    78.548    23.564    22.548  3.8723  23.076  3.9548  -0.5280285     5.534943 
1 1 1 -4  32  2  o 41.110  2.2007  238.841   24.031    228.468   34.014    249.178   33.955    40.162  3.1881  42.058  3.0345  -1.896011      4.401405 
1 1 1 -4  32  3  o 14.716  3.0564  32.418    13.628    45.485    18.854    18.124    19.720    17.368  4.1159  12.064  4.5195  5.303909       6.112787 
1 1 1 -4  32  4  o 18.497  3.0225  51.765    14.671    47.491    20.146    56.590    21.406    17.661  4.2993  19.334  4.2494  -1.672556      6.044935 
1 1 1 -4  32  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  32  6  o 12.330  3.1650  20.627    13.478    21.953    18.056    18.957    20.254    12.485  4.3731  12.175  4.5765  0.3100834      6.329944 
1 1 1 -4  32  7  o 21.372  2.9017  69.528    15.971    58.199    22.395    81.252    22.782    19.363  4.4160  23.381  3.7656  -4.018618      5.803492 
1 1 1 -4  32  8  o 8.6373  2.6255  -3.4094   11.690    -16.5446  16.038    11.478    17.075    6.8538  3.2506  10.421  4.1240  -3.567000      5.251080 
1 1 1 -4  33  1  o 18.096  3.2148  51.198    15.667    57.962    21.317    43.252    23.104    19.558  4.1950  16.635  4.8725  2.923336       6.429565 
1 1 1 -4  33  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -4  33  3  o 15.266  3.2402  35.778    14.355    30.475    19.600    41.914    21.084    14.162  4.5528  16.370  4.6116  -2.208311      6.480340 
1 1 1 -4  33  4  o 11.201  2.9058  13.606    12.337    0.6719    17.165    27.426    17.743    8.9308  3.8742  13.471  4.3319  -4.540184      5.811625 
1 1 1 -4  33  5  o 26.822  2.6428  107.027   18.446    104.282   25.319    110.133   26.928    26.502  3.6648  27.143  3.8088  -0.6404800     5.285620 
1 1 1 -4  33  6  o 11.200  2.9295  13.243    13.291    29.509    17.926    -6.6166   19.807    13.750  4.3471  8.6489  3.9282  5.101160       5.858980 
1 1 1 -4  34  1  o 18.792  3.1530  54.934    15.978    37.752    21.745    75.100    23.557    15.418  4.7746  22.166  4.1194  -6.747825      6.306073 
1 1 1 -4  34  2  o 26.976  2.7544  111.066   18.962    126.718   26.125    93.640    27.565    29.401  3.3789  24.552  4.3509  4.849152       5.508843 
1 1 1 -4  34  3  o 13.770  3.0661  29.065    14.342    45.810    19.113    7.4832    21.698    17.021  4.2145  10.519  4.4543  6.502468       6.132163 
1 1 1 -3  -36 14 o 10.821  3.1884  8.9923    15.108    16.664    23.893    3.8815    19.501    11.957  4.8286  9.6848  4.1653  2.271910       6.376881 
1 1 1 -3  -36 15 o 12.058  3.3038  18.299    14.971    24.753    23.801    14.073    19.257    13.080  4.9511  11.035  4.3757  2.045341       6.607591 
1 1 1 -3  -36 16 o 8.3952  2.7484  -15.3758  13.604    3.4613    23.871    -24.4367  16.556    10.411  4.5420  6.3795  3.0959  4.031489       5.496758 
1 1 1 -3  -36 17 o 20.668  3.4170  69.960    18.480    71.149    27.872    69.027    24.687    20.628  5.0785  20.708  4.5729  -0.8073425E-01 6.833939 
1 1 1 -3  -36 18 o 9.4631  2.9395  0.7228    14.359    -8.9875   23.766    6.3046    18.019    9.2185  4.2306  9.7077  4.0821  -0.4892044     5.878901 
1 1 1 -3  -36 19 o 8.4439  2.7370  -6.5086   12.338    -3.0843   23.870    -7.7569   14.412    9.7383  4.3779  7.1494  3.2860  2.588945       5.473931 
1 1 1 -3  -36 20 o 38.346  2.6534  222.579   26.814    212.906   38.729    231.485   37.162    37.331  3.9325  39.362  3.5634  -2.031860      5.306788 
1 1 1 -3  -36 21 o 12.166  3.4516  18.245    17.644    5.9887    27.871    26.442    22.793    11.170  4.8895  13.162  4.8730  -1.991354      6.903130 
1 1 1 -3  -36 22 o 33.314  2.9163  172.831   25.440    181.859   36.976    164.716   35.056    34.141  4.1272  32.487  4.1213  1.653828       5.832590 
1 1 1 -3  -36 23 o 17.779  3.8504  56.602    20.003    57.438    29.863    55.922    26.941    17.759  5.6104  17.798  5.2749  -0.3952980E-01 7.700708 
1 1 1 -3  -35 7  o 8.5875  2.6197  -16.7572  11.352    19.274    20.478    -32.7426  13.640    12.100  4.5895  5.0751  2.5273  7.024680       5.239319 
1 1 1 -3  -35 8  o 10.647  3.0388  7.1633    13.459    22.327    21.800    -2.1773   17.109    12.744  4.7563  8.5511  3.7836  4.192771       6.077614 
1 1 1 -3  -35 9  o 20.034  3.1044  59.450    17.123    104.306   26.516    27.366    22.425    26.435  3.8586  13.634  4.8641  12.80054       6.208730 
1 1 1 -3  -35 10 o 23.611  2.8845  82.856    17.445    100.181   26.604    69.786    23.107    25.850  3.9691  21.371  4.1865  4.479717       5.768960 
1 1 1 -3  -35 11 o 27.119  2.7818  108.721   19.345    134.126   28.696    87.559    26.190    30.249  3.6134  23.989  4.2306  6.259386       5.563645 
1 1 1 -3  -35 12 o 17.615  3.3090  46.837    16.425    70.126    25.120    29.442    21.710    21.227  4.5546  14.003  4.8013  7.223580       6.617927 
1 1 1 -3  -35 13 o 17.797  3.3895  49.371    16.509    59.648    25.006    41.430    21.981    19.384  4.8330  16.211  4.7538  3.172501       6.779099 
1 1 1 -3  -35 14 o 38.248  2.4970  211.665   25.011    252.644   36.569    175.649   34.283    41.936  3.2818  34.561  3.7643  7.374748       4.993983 
1 1 1 -3  -35 15 o 20.602  3.2673  64.918    18.078    97.695    27.275    39.236    24.143    25.442  4.1452  15.761  5.0516  9.680909       6.534595 
1 1 1 -3  -35 16 o 11.069  3.2019  10.944    14.951    8.3676    23.564    12.680    19.343    11.115  4.6708  11.023  4.3809  0.9210396E-01  6.403736 
1 1 1 -3  -35 17 o 29.165  2.8386  127.118   21.559    129.776   31.390    124.744   29.661    29.395  4.0983  28.935  3.9287  0.4592438      5.677189 
1 1 1 -3  -35 18 o 48.424  2.4196  339.452   31.160    331.525   44.466    347.101   43.678    47.786  3.4984  49.063  3.3436  -1.276978      4.839264 
1 1 1 -3  -35 19 o 15.089  3.6477  33.403    17.900    49.057    27.733    22.226    23.434    17.273  5.3993  12.906  4.9061  4.366987       7.295402 
1 1 1 -3  -35 20 o 14.885  3.5068  30.410    17.123    54.423    26.918    14.091    22.191    18.186  5.2400  11.583  4.6619  6.603233       7.013628 
1 1 1 -3  -35 21 o 46.490  2.4510  315.048   30.294    321.908   42.799    308.160   42.885    47.050  3.4195  45.931  3.5125  1.118782       4.902082 
1 1 1 -3  -35 22 o 29.407  3.1677  137.250   23.116    96.384    33.149    175.935   32.252    24.218  5.2607  34.595  3.5301  -10.37691      6.335340 
1 1 1 -3  -35 23 o 9.4413  3.0178  -5.5504   16.258    -12.0979  25.406    -1.0098   21.157    9.3643  4.3252  9.5183  4.2097  -0.1539812     6.035610 
1 1 1 -3  -35 24 o 21.041  3.5371  72.158    20.135    99.468    29.783    49.168    27.326    25.034  4.6116  17.047  5.3646  7.987495       7.074273 
1 1 1 -3  -35 25 o 13.636  3.6285  27.781    17.883    28.145    27.539    27.516    23.515    13.790  5.3002  13.483  4.9571  0.3064613      7.257055 
1 1 1 -3  -35 26 o 35.043  2.9357  190.510   26.448    229.073   37.796    153.511   37.022    39.073  3.6539  31.013  4.5959  8.060068       5.871372 
1 1 1 -3  -35 27 o 15.610  3.8198  41.123    19.531    51.752    29.209    32.528    26.266    17.044  5.5644  14.175  5.2345  2.868649       7.639512 
1 1 1 -3  -35 28 o 15.827  3.6899  42.063    19.494    63.893    28.012    21.562    27.146    19.005  5.3020  12.648  5.1331  6.357203       7.379721 
1 1 1 -3  -35 29 o 14.518  3.5043  31.911    19.774    -3.9515   29.182    62.356    26.887    10.313  4.7163  18.723  5.1843  -8.410322      7.008571 
1 1 1 -3  -34 2  o 25.011  2.8365  95.462    18.127    84.377    26.650    105.008   24.729    23.320  4.4285  26.701  3.5454  -3.380619      5.672907 
1 1 1 -3  -34 3  o 5.4764  1.9141  -20.6753  8.4655    -32.6796  17.507    -17.0119  9.6713    6.1959  3.0442  4.7568  2.3213  1.439092       3.828261 
1 1 1 -3  -34 4  o 19.577  2.9239  63.451    16.033    21.290    23.648    99.319    21.812    12.868  4.9196  26.287  3.1613  -13.41918      5.847782 
1 1 1 -3  -34 5  o 21.314  2.9084  69.569    15.851    59.815    23.648    77.527    21.359    19.629  4.5813  22.998  3.5841  -3.369213      5.816738 
1 1 1 -3  -34 6  o 7.0121  2.2747  -17.6548  11.288    -57.0223  19.510    2.1559    13.840    5.6464  2.8412  8.3778  3.5531  -2.731420      4.549428 
1 1 1 -3  -34 7  o 20.893  3.0779  65.153    16.607    80.683    25.271    53.347    22.033    23.160  4.2296  18.627  4.4727  4.533321       6.155806 
1 1 1 -3  -34 8  o 9.9647  2.9036  3.6920    12.304    16.472    20.612    -3.3834   15.337    11.888  4.5811  8.0415  3.5690  3.846309       5.807226 
1 1 1 -3  -34 9  o 44.065  5.9624  311.602   68.564    311.602   68.564    0.0000    0.0000    44.065  5.9624  ?       ?       ?              ?        
1 1 1 -3  -34 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -34 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -34 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -34 13 o 15.684  3.4220  37.281    15.565    40.170    24.757    35.393    20.015    16.121  5.1100  15.248  4.5528  0.8727741      6.844007 
1 1 1 -3  -34 14 o 29.475  2.7248  127.342   20.918    122.826   30.423    131.392   28.809    28.846  4.0490  30.103  3.6474  -1.256670      5.449627 
1 1 1 -3  -34 15 o 19.088  3.1722  58.414    16.259    39.001    24.859    72.927    21.494    15.899  5.1291  22.278  3.7343  -6.379321      6.344498 
1 1 1 -3  -34 16 o 40.062  2.3687  229.187   25.171    239.456   36.084    219.454   35.128    40.964  3.3172  39.159  3.3823  1.804703       4.737486 
1 1 1 -3  -34 17 o 32.239  2.6074  151.828   21.919    134.836   31.337    168.105   30.671    30.256  3.9621  34.223  3.3906  -3.966816      5.214825 
1 1 1 -3  -34 18 o 45.113  2.3524  290.758   28.224    292.562   40.055    288.979   39.776    45.252  3.3281  44.975  3.3255  0.2770691      4.704768 
1 1 1 -3  -34 19 o 15.322  3.4851  35.693    16.101    40.098    24.722    32.449    21.219    16.020  5.1094  14.623  4.7410  1.396932       6.970106 
1 1 1 -3  -34 20 o 19.839  3.2616  62.676    17.108    49.139    25.768    73.348    22.879    17.547  5.1474  22.131  4.0070  -4.584087      6.523182 
1 1 1 -3  -34 21 o 18.715  3.1573  56.026    18.246    12.994    26.550    94.535    25.116    12.155  5.0206  25.275  3.8299  -13.12045      6.314648 
1 1 1 -3  -34 22 o 15.060  3.4811  32.316    19.024    -0.3284   28.821    57.521    25.325    11.113  4.9143  19.008  4.9318  -7.894395      6.962260 
1 1 1 -3  -34 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -34 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -34 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -34 26 o 15.463  3.6113  37.006    18.666    17.833    26.709    55.311    26.097    12.582  5.0967  18.343  5.1177  -5.760947      7.222682 
1 1 1 -3  -34 27 o 15.497  3.7912  39.013    19.163    38.035    27.803    39.899    26.448    15.355  5.4226  15.639  5.2998  -0.2838535     7.582414 
1 1 1 -3  -34 28 o 31.085  2.9533  148.652   23.918    144.147   34.413    152.861   33.267    30.472  4.3388  31.698  4.0078  -1.225843      5.906570 
1 1 1 -3  -34 29 o 22.088  3.5925  82.753    21.019    65.537    30.550    98.228    28.963    19.335  5.5856  24.842  4.5194  -5.507017      7.184919 
1 1 1 -3  -34 30 o 19.696  3.6626  69.347    20.873    42.344    31.231    91.148    28.062    15.644  5.7186  23.747  4.5778  -8.102419      7.325259 
1 1 1 -3  -34 31 o 21.958  3.6052  82.281    21.066    105.392   30.915    62.249    28.782    25.265  4.7425  18.651  5.4312  6.613649       7.210376 
1 1 1 -3  -34 32 o 14.752  3.5527  32.462    18.877    63.798    28.152    6.8655    25.444    18.776  5.3426  10.727  4.6844  8.048916       7.105427 
1 1 1 -3  -34 33 o 39.961  2.7260  251.057   28.730    274.193   41.369    229.503   39.930    41.944  3.7210  37.978  3.9848  3.965893       5.451970 
1 1 1 -3  -33 1  o 27.769  2.6459  113.273   19.040    104.789   27.689    120.884   26.225    26.596  4.0116  28.942  3.4511  -2.345390      5.291770 
1 1 1 -3  -33 2  o 16.966  3.2706  44.165    15.183    46.326    22.948    42.483    20.247    17.275  4.7917  16.657  4.4526  0.6178665      6.541107 
1 1 1 -3  -33 3  o 10.053  2.9144  7.2852    12.269    7.8060    19.747    6.9578    15.658    10.521  4.3363  9.5837  3.8951  0.9377546      5.828840 
1 1 1 -3  -33 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -33 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -33 6  o 28.780  2.5261  118.559   18.999    130.607   27.897    108.137   25.946    30.184  3.5165  27.377  3.6277  2.806862       5.052277 
1 1 1 -3  -33 7  o 18.322  3.1075  51.097    14.954    48.243    23.011    53.183    19.674    17.729  4.7499  18.915  4.0080  -1.185478      6.214955 
1 1 1 -3  -33 8  o 7.0435  2.3602  -16.2735  11.387    -21.7182  19.383    -13.4041  14.071    7.4607  3.5487  6.6262  3.1127  0.8344846      4.720356 
1 1 1 -3  -33 9  o 16.212  2.9310  40.979    14.644    10.818    22.186    64.264    19.494    11.394  4.6344  21.030  3.5896  -9.635236      5.862020 
1 1 1 -3  -33 10 o 33.323  2.3974  159.354   20.856    138.770   30.016    178.567   28.999    31.033  3.6830  35.614  3.0701  -4.580683      4.794781 
1 1 1 -3  -33 11 o 10.986  2.6999  7.3295    13.065    -30.0837  20.605    32.485    16.896    7.2217  3.4921  14.751  4.1186  -7.529258      5.399824 
1 1 1 -3  -33 12 f 30.019  2.5527  131.067   19.756    110.887   28.600    149.485   27.322    27.531  3.9951  32.506  3.1788  -4.975018      5.105474 
1 1 1 -3  -33 13 o 7.8284  2.5433  -9.7861   11.960    -14.2939  19.365    -7.0061   15.207    8.0393  3.7351  7.6176  3.4528  0.4216943      5.086532 
1 1 1 -3  -33 14 o 12.557  3.1877  18.035    13.789    32.659    22.095    8.7056    17.647    14.833  4.8394  10.280  4.1503  4.552812       6.375334 
1 1 1 -3  -33 15 o 23.846  2.9696  84.422    18.235    84.915    26.713    83.991    24.952    23.833  4.3446  23.858  4.0494  -0.2502060E-01 5.939138 
1 1 1 -3  -33 16 o 28.730  2.6584  119.796   19.804    136.845   28.389    103.634   27.641    30.895  3.4919  26.565  4.0094  4.329824       5.316810 
1 1 1 -3  -33 17 o 28.023  2.7291  114.578   19.758    132.486   28.389    97.756    27.515    30.343  3.5607  25.704  4.1368  4.639389       5.458193 
1 1 1 -3  -33 18 o 43.245  2.3362  265.545   26.852    270.004   38.064    261.128   37.886    43.624  3.2817  42.865  3.3258  0.7586784      4.672304 
1 1 1 -3  -33 19 o 25.251  2.9197  95.387    18.855    79.774    26.894    110.479   26.443    22.914  4.5426  27.589  3.6693  -4.675688      5.839417 
1 1 1 -3  -33 20 o 15.837  3.4859  38.735    16.826    27.795    24.906    47.920    22.821    14.093  5.1136  17.581  4.7388  -3.488009      6.971743 
1 1 1 -3  -33 21 o 38.606  2.6473  221.083   25.559    292.069   36.155    150.169   36.137    45.532  2.9810  31.679  4.3757  13.85341       5.294607 
1 1 1 -3  -33 22 o 18.978  3.4255  57.498    18.259    36.260    26.446    76.843    25.240    15.440  5.2990  22.516  4.3425  -7.076599      6.851006 
1 1 1 -3  -33 23 o 15.229  3.0522  35.517    15.586    3.1433    24.134    58.681    20.414    10.695  4.6167  19.764  3.9938  -9.068658      6.104434 
1 1 1 -3  -33 24 o 27.890  2.9609  116.440   21.023    146.098   30.645    90.074    28.894    31.617  3.6879  24.162  4.6333  7.454987       5.921823 
1 1 1 -3  -33 25 o 32.996  2.7522  160.968   23.824    154.153   33.832    167.672   33.553    32.205  4.0089  33.787  3.7720  -1.581944      5.504458 
1 1 1 -3  -33 26 o 23.956  3.2260  89.259    19.823    116.261   28.641    64.428    27.465    27.933  3.9373  19.980  5.1115  7.953125       6.452085 
1 1 1 -3  -33 27 o 20.239  3.4445  64.156    19.184    94.962    28.619    39.017    25.853    24.806  4.4719  15.673  5.2402  9.132513       6.888933 
1 1 1 -3  -33 28 o 28.212  3.0734  122.686   21.843    157.588   31.369    89.837    30.432    32.716  3.6415  23.708  4.9521  9.008665       6.146884 
1 1 1 -3  -33 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -33 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -33 31 o 35.691  2.7075  191.721   25.466    196.180   36.734    187.596   35.335    36.058  3.8636  35.324  3.7941  0.7339363      5.415004 
1 1 1 -3  -33 32 o 9.2507  3.0089  -9.3756   17.116    -13.8278  25.781    -5.8662   22.889    9.2068  4.2882  9.2946  4.2219  -0.8771896E-01 6.017756 
1 1 1 -3  -33 33 o 7.7057  2.6339  -29.4661  16.139    -17.9005  24.716    -38.0625  21.308    8.6565  4.0845  6.7548  3.3265  1.901735       5.267703 
1 1 1 -3  -33 34 o 15.226  3.7786  39.294    19.709    56.367    28.970    24.585    26.891    17.527  5.5247  12.926  5.1563  4.600954       7.557155 
1 1 1 -3  -33 35 o 18.655  3.8687  64.587    20.670    75.667    30.485    55.160    28.121    20.160  5.4950  17.150  5.4471  3.010681       7.737331 
1 1 1 -3  -32 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -32 2  o 10.970  2.7554  10.908    12.236    -12.7118  18.707    28.568    16.175    8.0229  3.7077  13.917  4.0771  -5.894015      5.510824 
1 1 1 -3  -32 3  o 34.343  2.2743  167.131   20.569    156.454   29.864    176.767   28.370    33.180  3.4087  35.505  3.0116  -2.324440      4.548539 
1 1 1 -3  -32 4  o 50.181  2.1621  351.813   28.887    376.282   41.634    329.097   40.114    51.902  3.0078  48.461  3.1067  3.440269       4.324173 
1 1 1 -3  -32 5  f 16.632  3.0753  41.737    13.860    38.437    20.597    44.468    18.736    15.983  4.5774  17.281  4.1081  -1.297667      6.150513 
1 1 1 -3  -32 6  o 10.574  2.8439  11.122    11.823    -0.9416   18.341    19.699    15.465    9.1673  3.9908  11.981  4.0527  -2.813996      5.687805 
1 1 1 -3  -32 7  o 21.186  2.8867  65.275    15.654    72.533    24.120    59.992    20.576    22.153  4.2190  20.218  3.9413  1.935284       5.773484 
1 1 1 -3  -32 8  o 67.662  2.2237  638.656   40.283    630.618   57.599    646.352   56.359    67.198  3.2001  68.127  3.0886  -0.9289398     4.447471 
1 1 1 -3  -32 9  o 18.837  3.1451  53.215    15.557    52.736    23.233    53.604    20.945    18.681  4.6590  18.993  4.2262  -0.3123894     6.290223 
1 1 1 -3  -32 10 o 37.998  2.2147  202.984   22.241    187.492   31.950    217.550   30.980    36.484  3.3054  39.513  2.9485  -3.028358      4.429306 
1 1 1 -3  -32 11 f 52.304  2.1686  381.749   30.134    421.715   42.950    343.005   42.289    55.106  2.9203  49.501  3.2068  5.604755       4.337232 
1 1 1 -3  -32 12 o 11.675  2.8144  13.991    12.773    -10.8099  19.396    32.983    16.973    8.4057  3.8444  14.945  4.1114  -6.538953      5.628749 
1 1 1 -3  -32 13 o 26.713  2.5828  102.741   17.857    94.477    26.004    110.116   24.565    25.545  3.9262  27.881  3.3569  -2.336060      5.165637 
1 1 1 -3  -32 14 o 43.861  2.2202  269.047   25.903    275.867   36.631    262.225   36.634    44.445  3.0964  43.278  3.1826  1.167530       4.440350 
1 1 1 -3  -32 15 o 22.000  2.9499  71.197    16.729    71.168    24.259    71.223    23.099    21.947  4.2806  22.054  4.0601  -0.1070499     5.899779 
1 1 1 -3  -32 16 o 23.020  2.9780  77.772    17.599    94.248    25.611    63.030    24.226    25.529  3.8664  20.511  4.5305  5.017887       5.956033 
1 1 1 -3  -32 17 o 18.153  3.2049  50.593    15.833    37.102    23.407    61.972    21.497    15.782  4.9648  20.525  4.0541  -4.742212      6.409733 
1 1 1 -3  -32 18 o 24.587  2.8977  88.937    17.891    123.384   26.175    58.731    24.511    29.489  3.3747  19.686  4.7114  9.802961       5.795311 
1 1 1 -3  -32 19 o 32.149  2.5444  147.856   21.485    139.517   30.595    155.969   30.177    31.166  3.7397  33.132  3.4511  -1.966389      5.088810 
1 1 1 -3  -32 20 o 15.705  3.0855  37.577    15.585    7.6950    24.033    59.265    20.474    11.352  4.7399  20.059  3.9514  -8.706714      6.170930 
1 1 1 -3  -32 21 o 9.0239  2.7215  -3.5472   12.813    -23.1134  19.324    11.806    17.118    7.3534  3.5103  10.694  4.1597  -3.340948      5.442939 
1 1 1 -3  -32 22 o 22.215  3.0803  76.741    17.616    45.417    25.178    106.783   24.657    17.137  5.1040  27.293  3.4500  -10.15588      6.160628 
1 1 1 -3  -32 23 o 12.693  3.0968  14.471    15.648    -14.9302  22.351    42.736    21.915    8.6993  4.0317  16.687  4.7018  -7.987785      6.193626 
1 1 1 -3  -32 24 o 25.965  3.0585  100.826   20.496    108.562   29.379    93.490    28.608    27.032  4.1935  24.897  4.4533  2.134336       6.116984 
1 1 1 -3  -32 25 o 29.193  2.7464  125.082   20.933    123.682   29.881    126.432   29.335    28.987  3.9515  29.399  3.8154  -0.4116364     5.492862 
1 1 1 -3  -32 26 o 18.993  4.0038  58.858    20.861    56.103    39.345    59.936    24.604    18.388  6.4546  19.597  4.7392  -1.208961      8.007604 
1 1 1 -3  -32 27 o 29.682  2.7590  130.059   21.388    136.597   30.771    123.948   29.749    30.440  3.8608  28.925  3.9425  1.515308       5.518085 
1 1 1 -3  -32 28 o 36.797  2.5075  196.895   24.400    193.351   34.646    200.381   34.369    36.424  3.5983  37.170  3.4931  -0.7458611     5.014902 
1 1 1 -3  -32 29 o 27.201  3.0417  113.276   20.686    153.766   30.075    76.922    28.498    32.461  3.5152  21.942  4.9649  10.51995       6.083324 
1 1 1 -3  -32 30 o 18.045  3.4756  49.791    18.609    81.710    28.070    24.764    24.855    22.715  4.7656  13.375  5.0604  9.340337       6.951124 
1 1 1 -3  -32 31 o 14.525  3.3727  27.238    17.185    57.036    25.718    3.2023    23.098    18.680  5.0286  10.369  4.4961  8.311632       6.745494 
1 1 1 -3  -32 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -32 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -32 34 o 15.732  3.5987  41.354    18.715    20.974    27.760    58.335    25.340    12.825  5.1957  18.640  4.9805  -5.814625      7.197319 
1 1 1 -3  -32 35 o 22.653  3.4600  85.039    20.662    117.957   30.723    57.858    27.918    27.209  4.3631  18.097  5.3711  9.111876       6.919920 
1 1 1 -3  -32 36 o 9.6893  3.0836  -2.7150   17.095    -12.7104  25.074    5.9664    23.367    9.0103  4.2075  10.368  4.5090  -1.357898      6.167199 
1 1 1 -3  -32 37 o 8.0838  2.7207  -24.8036  16.726    -3.7004   23.530    -46.3577  23.780    9.3462  4.2589  6.8214  3.3869  2.524828       5.441473 
1 1 1 -3  -31 1  o 12.554  3.0163  21.300    12.133    25.880    17.989    17.478    16.434    13.453  4.3656  11.655  4.1634  1.798088       6.032564 
1 1 1 -3  -31 2  o 36.863  2.1960  190.661   21.422    179.551   30.696    201.209   29.910    35.736  3.2422  37.990  2.9628  -2.253605      4.392067 
1 1 1 -3  -31 3  o 8.6264  2.5970  1.4990    10.431    -1.6679   16.551    3.5856    13.435    8.6603  3.7800  8.5924  3.5621  0.6791210E-01  5.193934 
1 1 1 -3  -31 4  o 17.869  2.8268  46.270    13.126    53.448    19.968    40.808    17.419    19.082  4.0330  16.656  3.9621  2.425529       5.653658 
1 1 1 -3  -31 5  o 12.336  2.9131  18.907    12.794    -0.0024   19.386    33.499    17.030    9.5755  4.1355  15.097  4.1038  -5.521301      5.826113 
1 1 1 -3  -31 6  o 43.757  2.1046  266.185   24.453    250.210   35.036    281.359   34.145    42.402  3.1065  45.113  2.8403  -2.710724      4.209213 
1 1 1 -3  -31 7  o 21.275  2.8029  66.362    15.255    58.798    22.644    72.648    20.643    19.972  4.3556  22.579  3.5289  -2.606653      5.605757 
1 1 1 -3  -31 8  o 52.809  2.1337  386.725   29.985    363.786   42.846    408.745   41.979    51.197  3.1397  54.422  2.8902  -3.225113      4.267395 
1 1 1 -3  -31 9  o 23.062  2.7112  76.314    16.114    76.358    23.687    76.277    21.986    23.008  3.9881  23.116  3.6740  -0.1074963     5.422498 
1 1 1 -3  -31 10 o 19.647  2.8251  56.074    14.291    55.614    21.376    56.446    19.217    19.497  4.2161  19.797  3.7615  -0.3004894     5.650154 
1 1 1 -3  -31 11 o 12.907  3.0611  22.555    12.283    22.757    19.675    22.426    15.723    13.120  4.5667  12.694  4.0775  0.4259138      6.122117 
1 1 1 -3  -31 12 o 51.042  2.1246  360.058   28.878    382.464   40.980    337.958   40.699    52.670  2.9162  49.414  3.0905  3.255867       4.249207 
1 1 1 -3  -31 13 o 25.584  2.6136  92.975    17.388    95.407    24.791    90.622    24.394    25.928  3.6724  25.240  3.7199  0.6880569      5.227212 
1 1 1 -3  -31 14 o 32.882  2.4949  154.133   20.923    114.823   29.519    193.820   29.660    28.346  3.9989  37.417  2.9843  -9.070313      4.989751 
1 1 1 -3  -31 15 o 41.035  2.2128  233.702   24.082    214.915   33.762    253.162   34.361    39.297  3.2363  42.772  3.0186  -3.474751      4.425580 
1 1 1 -3  -31 16 o 13.278  3.2046  22.906    14.388    10.589    21.119    33.575    19.656    11.367  4.5574  15.190  4.5065  -3.823230      6.409254 
1 1 1 -3  -31 17 o 30.350  2.4962  131.003   19.539    106.382   27.691    155.420   27.576    27.287  3.8996  33.413  3.1172  -6.126089      4.992392 
1 1 1 -3  -31 18 o 52.069  2.1811  376.151   30.234    396.676   42.590    355.300   42.928    53.565  2.9803  50.573  3.1853  2.991482       4.362149 
1 1 1 -3  -31 19 o 9.6657  2.8833  2.4017    12.985    -5.5772   19.942    8.2753    17.110    9.1036  4.0534  10.228  4.1016  -1.124274      5.766592 
1 1 1 -3  -31 20 o 21.087  3.1470  67.587    17.287    46.972    25.187    85.946    23.769    17.677  5.0616  24.498  3.7410  -6.820698      6.294053 
1 1 1 -3  -31 21 o 13.509  2.8737  11.808    14.797    55.900    22.754    -20.5052  19.479    19.385  4.4731  7.6327  3.6089  11.75272       5.747402 
1 1 1 -3  -31 22 o 49.994  2.1807  347.989   29.053    343.481   40.624    352.708   41.567    49.671  3.0685  50.317  3.0993  -0.6458855     4.361318 
1 1 1 -3  -31 23 o 20.322  3.1999  62.202    17.194    80.960    24.563    44.182    24.075    23.558  4.0380  17.087  4.9649  6.470768       6.399700 
1 1 1 -3  -31 24 o 15.238  3.4118  33.616    15.927    44.091    23.100    24.125    21.989    17.044  4.8360  13.433  4.8140  3.611075       6.823560 
1 1 1 -3  -31 25 o 16.373  3.4913  40.778    16.591    39.122    24.079    42.275    22.893    16.085  5.0315  16.662  4.8415  -0.5769978     6.982583 
1 1 1 -3  -31 26 o 36.563  2.4261  190.581   23.453    181.119   33.166    200.044   33.169    35.588  3.5258  37.538  3.3336  -1.950367      4.852242 
1 1 1 -3  -31 27 o 19.933  3.2276  60.831    17.169    80.872    24.779    42.324    23.811    23.322  4.1171  16.543  4.9719  6.779854       6.455200 
1 1 1 -3  -31 28 o 29.585  2.6806  127.530   20.580    147.853   29.901    109.238   28.368    31.993  3.5491  27.177  4.0182  4.816000       5.361198 
1 1 1 -3  -31 29 f 16.844  3.4171  44.854    17.104    27.459    24.988    60.187    23.461    13.958  5.1133  19.731  4.5345  -5.772791      6.834274 
1 1 1 -3  -31 30 o 24.058  3.1433  88.589    19.467    100.855   28.105    77.277    26.990    25.848  4.2040  22.268  4.6742  3.580193       6.286621 
1 1 1 -3  -31 31 o 44.284  2.3752  283.635   27.890    267.872   39.938    298.640   38.965    42.937  3.5032  45.632  3.2084  -2.694908      4.750444 
1 1 1 -3  -31 32 o 12.109  3.3523  16.640    16.451    4.1138    24.780    26.512    21.998    10.779  4.6655  13.439  4.8151  -2.659189      6.704648 
1 1 1 -3  -31 33 o 13.331  2.9381  16.085    16.360    -30.8693  24.167    55.806    22.228    7.8762  3.8019  18.786  4.4804  -10.90954      5.876100 
1 1 1 -3  -31 34 o 17.109  3.7271  49.208    18.852    44.522    28.034    53.077    25.472    16.323  5.4567  17.895  5.0784  -1.572212      7.454244 
1 1 1 -3  -31 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -31 36 o 13.979  3.6559  30.867    18.138    29.580    26.495    32.003    24.882    13.828  5.2263  14.131  5.1137  -0.3033409     7.311883 
1 1 1 -3  -31 37 o 17.312  3.7742  53.355    19.375    47.514    28.081    58.662    26.767    16.328  5.4613  18.295  5.2109  -1.966892      7.548451 
1 1 1 -3  -31 38 o 13.343  3.5694  27.324    18.382    12.205    26.135    42.125    25.859    11.339  4.8478  15.347  5.2403  -4.008184      7.138764 
1 1 1 -3  -31 39 f 10.191  3.1870  4.9556    17.151    3.7031    24.643    6.1323    23.886    10.123  4.5068  10.258  4.5074  -0.1344700     6.374018 
1 1 1 -3  -30 1  f 66.088  2.1823  604.001   38.609    631.958   55.155    577.140   54.063    67.615  3.0455  64.562  3.1263  3.053139       4.364511 
1 1 1 -3  -30 2  o 37.797  2.0927  197.962   21.012    195.197   29.909    200.657   29.525    37.517  3.0015  38.077  2.9171  -0.5598869     4.185484 
1 1 1 -3  -30 3  o 23.149  2.5036  76.428    14.626    100.475   21.264    54.833    20.150    26.862  3.0070  19.437  4.0038  7.424871       5.007222 
1 1 1 -3  -30 4  o 16.761  2.8060  42.919    13.183    19.911    19.705    61.560    17.737    12.640  4.5542  20.882  3.2794  -8.241671      5.612067 
1 1 1 -3  -30 5  o 23.322  2.4891  77.109    14.980    74.527    22.129    79.292    20.352    22.877  3.7407  23.767  3.2848  -0.8898525     4.978210 
1 1 1 -3  -30 6  o 19.126  2.7812  54.241    13.699    41.050    20.398    65.079    18.489    16.758  4.4642  21.494  3.3183  -4.736671      5.562441 
1 1 1 -3  -30 7  o 51.494  2.0845  364.309   28.624    368.066   41.012    360.740   39.969    51.743  2.9717  51.245  2.9241  0.4981537      4.169057 
1 1 1 -3  -30 8  o 29.425  2.2959  120.363   17.781    121.693   25.679    119.139   24.646    29.565  3.2990  29.284  3.1939  0.2806816      4.591725 
1 1 1 -3  -30 9  o 21.293  2.7529  65.215    15.055    58.674    21.868    71.108    20.757    20.153  4.1879  22.434  3.5743  -2.281439      5.505814 
1 1 1 -3  -30 10 o 28.770  2.3534  115.413   17.553    137.947   25.319    94.561    24.356    31.603  3.0282  25.936  3.6033  5.667006       4.706784 
1 1 1 -3  -30 11 o 43.161  2.1219  256.166   24.360    244.723   34.344    267.752   34.557    42.164  3.0619  44.159  2.9385  -1.994846      4.243790 
1 1 1 -3  -30 12 o 43.353  2.1119  258.318   24.367    265.242   34.487    251.415   34.434    43.951  2.9466  42.756  3.0263  1.194756       4.223868 
1 1 1 -3  -30 13 f 57.068  2.1190  446.313   32.255    411.425   45.223    482.439   46.018    54.713  3.0986  59.422  2.8913  -4.708641      4.238019 
1 1 1 -3  -30 14 o 34.102  2.2454  160.850   20.258    153.690   28.540    168.120   28.761    33.309  3.2399  34.895  3.1097  -1.585781      4.490801 
1 1 1 -3  -30 15 o 65.082  2.1546  580.035   37.552    564.311   52.743    596.200   53.477    64.177  3.0683  65.986  3.0257  -1.808891      4.309184 
1 1 1 -3  -30 16 f 53.371  2.1091  392.231   29.917    424.237   41.960    359.136   42.668    55.667  2.8234  51.076  3.1340  4.590775       4.218256 
1 1 1 -3  -30 17 f 41.835  2.1925  241.786   24.336    255.531   34.077    227.480   34.767    43.106  2.9695  40.564  3.2266  2.542480       4.385080 
1 1 1 -3  -30 18 o 22.019  2.8689  69.493    16.287    72.261    23.563    66.961    22.537    22.444  4.0694  21.594  4.0451  0.8501740      5.737863 
1 1 1 -3  -30 19 o 21.218  2.9246  66.345    15.889    52.627    23.423    78.038    21.626    18.924  4.6534  23.512  3.5440  -4.587347      5.849296 
1 1 1 -3  -30 20 o 30.078  2.4416  126.632   19.312    126.927   27.193    126.331   27.432    30.121  3.4318  30.034  3.4741  0.8732605E-01  4.883267 
1 1 1 -3  -30 21 o 16.678  3.1328  38.370    15.974    67.287    23.186    12.242    22.039    21.559  4.1659  11.797  4.6801  9.761649       6.265602 
1 1 1 -3  -30 22 o 34.821  2.3489  169.726   21.547    182.998   30.146    155.863   30.808    36.306  3.1306  33.336  3.5027  2.969536       4.697821 
1 1 1 -3  -30 23 o 38.374  2.2743  204.951   23.155    202.150   32.347    207.895   33.162    38.111  3.1983  38.636  3.2342  -0.5249176     4.548566 
1 1 1 -3  -30 24 o 17.058  3.2715  41.916    15.842    59.819    23.483    26.961    21.463    20.113  4.4744  14.002  4.7741  6.111288       6.543081 
1 1 1 -3  -30 25 o 66.402  2.2330  612.941   39.591    647.587   55.932    578.151   56.047    68.396  3.0531  64.407  3.2595  3.989174       4.466047 
1 1 1 -3  -30 26 o 28.172  2.6613  113.715   19.552    113.580   28.359    113.837   26.993    28.105  3.8698  28.239  3.6545  -0.1339092     5.322658 
1 1 1 -3  -30 27 o 28.990  2.6237  121.460   19.686    108.826   28.682    132.713   27.068    27.365  4.0342  30.616  3.3558  -3.250463      5.247470 
1 1 1 -3  -30 28 o 36.195  2.3619  185.421   22.598    199.444   32.353    172.060   31.579    37.594  3.2447  34.795  3.4332  2.799500       4.723841 
1 1 1 -3  -30 29 o 13.395  3.3825  23.949    15.769    14.491    22.758    32.682    21.869    11.970  4.7535  14.820  4.8136  -2.850449      6.765082 
1 1 1 -3  -30 30 o 13.604  3.2971  21.260    15.978    45.753    24.040    1.8800    21.384    17.126  4.9570  10.082  4.3488  7.044959       6.594182 
1 1 1 -3  -30 31 o 9.0734  2.8378  -4.6831   14.039    -16.0030  20.588    5.1546    19.193    8.1449  3.8065  10.002  4.2098  -1.857041      5.675533 
1 1 1 -3  -30 32 o 23.554  3.1463  86.652    18.933    70.256    27.730    100.969   25.912    20.995  5.0023  26.113  3.8175  -5.117418      6.292506 
1 1 1 -3  -30 33 o 12.514  3.3569  16.768    16.282    34.551    24.376    2.4415    21.878    14.913  5.0878  10.114  4.3807  4.799666       6.713833 
1 1 1 -3  -30 34 o 45.787  2.3511  303.749   28.607    301.642   41.292    305.693   39.668    45.545  3.4096  46.028  3.2382  -0.4829750     4.702267 
1 1 1 -3  -30 35 o 9.9544  3.0161  -0.9421   15.440    -19.0580  22.080    16.392    21.599    8.1546  3.8516  11.754  4.6425  -3.599589      6.032231 
1 1 1 -3  -30 36 o 30.884  2.8637  145.318   22.903    167.306   32.967    124.805   31.842    33.426  3.7467  28.343  4.3320  5.082861       5.727470 
1 1 1 -3  -30 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -30 38 o 13.810  3.6028  28.344    18.397    44.414    26.568    13.540    25.500    15.999  5.3109  11.622  4.8699  4.377401       7.205630 
1 1 1 -3  -30 39 o 8.4782  2.8221  -16.0347  16.521    -20.7892  23.020    -10.9840  23.726    8.0607  3.8433  8.8957  4.1334  -0.8349857     5.644149 
1 1 1 -3  -30 40 o 13.421  3.6374  29.616    18.617    39.297    26.662    20.403    26.008    14.707  5.2976  12.135  4.9859  2.572186       7.274888 
1 1 1 -3  -30 41 o 10.427  3.2468  7.7061    17.657    4.3035    25.049    11.066    24.893    10.106  4.5181  10.748  4.6641  -0.6424274     6.493550 
1 1 1 -3  -29 1  o 20.241  2.6702  58.473    13.923    60.901    20.383    56.348    19.065    20.627  3.8302  19.855  3.7215  0.7716179      5.340417 
1 1 1 -3  -29 2  o 8.0813  2.2816  -6.2344   8.8007    15.511    13.678    -21.5973  11.497    11.025  3.8093  5.1381  2.5124  5.886511       4.563207 
1 1 1 -3  -29 3  o 27.417  2.2072  104.424   15.776    120.351   22.601    89.288    22.032    29.549  2.8927  25.285  3.3345  4.264282       4.414337 
1 1 1 -3  -29 4  o 40.762  2.0911  227.817   22.633    247.119   32.577    209.806   31.468    42.462  2.8813  39.062  3.0314  3.400623       4.182293 
1 1 1 -3  -29 5  o 45.651  2.0437  285.137   24.855    292.042   35.635    278.595   34.684    46.190  2.8950  45.113  2.8855  1.076508       4.087379 
1 1 1 -3  -29 6  o 62.570  2.0784  533.727   34.825    549.285   49.650    518.659   48.861    63.475  2.9203  61.665  2.9582  1.809143       4.156826 
1 1 1 -3  -29 7  o 44.144  2.0373  266.295   23.943    278.550   34.282    254.624   33.455    45.148  2.8495  43.139  2.9124  2.009747       4.074542 
1 1 1 -3  -29 8  o 56.226  2.0792  431.705   31.202    435.121   44.469    428.393   43.791    56.441  2.9518  56.010  2.9291  0.4308052      4.158449 
1 1 1 -3  -29 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 21 o 20.788  5.6600  64.228    32.364    64.228    32.364    0.0000    0.0000    20.788  5.6600  ?       ?       ?              ?        
1 1 1 -3  -29 22 o 17.160  3.2010  42.867    14.924    42.329    21.258    43.390    20.957    17.054  4.5639  17.267  4.4895  -0.2122250     6.401926 
1 1 1 -3  -29 23 o 39.782  2.1768  218.269   23.011    213.753   32.464    222.829   32.622    39.356  3.1048  40.208  3.0518  -0.8513374     4.353555 
1 1 1 -3  -29 24 o 62.467  2.1357  535.641   35.725    547.018   50.396    524.147   50.652    63.155  2.9792  61.780  3.0610  1.374798       4.271444 
1 1 1 -3  -29 25 o 69.792  2.1996  670.950   41.093    695.917   58.006    645.797   58.222    71.137  3.0443  68.448  3.1756  2.688362       4.399180 
1 1 1 -3  -29 26 o 42.034  2.2107  245.564   24.621    223.610   34.873    267.383   34.765    40.077  3.2773  43.992  2.9678  -3.914719      4.421394 
1 1 1 -3  -29 27 f 13.467  3.3473  23.528    15.414    13.832    22.730    31.784    20.973    12.076  4.7647  14.859  4.7026  -2.782964      6.694540 
1 1 1 -3  -29 28 o 18.667  3.3216  52.222    16.583    52.663    23.978    51.818    22.958    18.722  4.7684  18.612  4.6253  0.1097870      6.643178 
1 1 1 -3  -29 29 o 52.678  2.1777  387.021   30.568    374.662   43.522    399.055   42.944    51.796  3.1520  53.560  3.0056  -1.763496      4.355354 
1 1 1 -3  -29 30 o 20.021  3.1807  60.070    16.628    65.582    24.334    55.242    22.774    20.905  4.4806  19.138  4.5156  1.766535       6.361319 
1 1 1 -3  -29 31 o 15.222  3.4618  34.631    15.997    35.935    23.430    33.492    21.895    15.460  4.9786  14.984  4.8115  0.4763689      6.923647 
1 1 1 -3  -29 32 o 32.055  2.5370  148.999   21.247    140.263   31.213    156.543   29.005    31.002  3.8411  33.109  3.3152  -2.106842      5.073934 
1 1 1 -3  -29 33 o 21.387  3.2434  71.371    18.025    60.931    26.257    80.676    24.789    19.611  4.9874  23.163  4.1478  -3.552820      6.486782 
1 1 1 -3  -29 34 o 6.1826  2.1555  -39.0618  12.936    -56.6069  18.686    -22.9148  17.926    5.4448  2.7450  6.9204  3.3242  -1.475557      4.311015 
1 1 1 -3  -29 35 o 27.914  2.8910  119.426   20.407    93.353    29.294    144.008   28.444    24.411  4.6500  31.416  3.4364  -7.004543      5.781933 
1 1 1 -3  -29 36 o 17.787  3.4395  51.589    17.589    68.742    24.790    34.199    24.960    20.833  4.5684  14.741  5.1429  6.091474       6.878943 
1 1 1 -3  -29 37 o 28.933  3.0611  131.035   22.477    104.177   32.006    157.171   31.573    25.418  4.8786  32.448  3.6988  -7.030762      6.122228 
1 1 1 -3  -29 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -29 39 o 12.290  3.2357  7.1849    18.232    -34.1336  25.945    47.496    25.627    7.9613  3.8663  16.619  5.1895  -8.657799      6.471395 
1 1 1 -3  -29 40 o 9.3911  3.0229  -6.0902   16.928    -14.9720  24.473    2.0579    23.440    8.7660  4.1137  10.016  4.4304  -1.250248      6.045702 
1 1 1 -3  -29 41 o 11.776  3.2132  10.797    17.411    41.651    24.072    -23.0505  25.212    15.271  5.0546  8.2817  3.9685  6.989500       6.426383 
1 1 1 -3  -29 42 o 14.036  3.6513  32.755    19.747    58.129    28.613    9.6749    27.288    17.163  5.4991  10.908  4.8048  6.254965       7.302509 
1 1 1 -3  -28 1  o 40.264  2.0441  221.905   21.897    224.352   31.152    219.516   30.786    40.484  2.8919  40.044  2.8897  0.4401054      4.088236 
1 1 1 -3  -28 2  f 13.735  2.7927  25.927    11.093    35.416    16.274    17.692    15.161    15.729  3.8855  11.741  4.0124  3.988192       5.585419 
1 1 1 -3  -28 3  o 39.144  3.1204  212.206   31.327    203.110   39.748    227.122   50.898    38.215  3.9397  40.073  4.8401  -1.857536      6.240822 
1 1 1 -3  -28 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -28 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -28 6  o 27.886  2.2358  107.530   16.324    98.934    23.424    115.648   22.763    26.740  3.3436  29.032  2.9690  -2.292559      4.471512 
1 1 1 -3  -28 7  o 39.810  2.0086  215.722   21.149    247.699   30.605    186.493   29.260    42.679  2.6910  36.941  2.9826  5.738556       4.017186 
1 1 1 -3  -28 8  o 30.851  2.2200  131.328   17.797    158.201   25.499    105.807   24.850    34.046  2.8216  27.656  3.4280  6.390110       4.439947 
1 1 1 -3  -28 9  o 66.199  2.0986  594.709   37.190    622.821   53.028    567.496   52.173    67.752  2.9221  64.647  3.0131  3.105629       4.197276 
1 1 1 -3  -28 10 o 59.235  2.0437  476.537   32.334    503.841   45.987    449.841   45.472    60.970  2.8160  57.501  2.9625  3.469357       4.087337 
1 1 1 -3  -28 11 o 55.568  2.0318  419.781   30.137    421.132   42.485    418.412   42.758    55.663  2.8592  55.474  2.8876  0.1887627      4.063681 
1 1 1 -3  -28 12 o 32.114  2.1569  141.267   18.328    141.462   25.723    141.065   26.121    32.143  3.0233  32.085  3.0772  0.5807114E-01  4.313838 
1 1 1 -3  -28 13 o 40.011  2.0458  218.210   21.773    218.735   30.583    217.670   31.005    40.066  2.8688  39.956  2.9172  0.1098022      4.091530 
1 1 1 -3  -28 14 o 31.705  2.2058  137.945   18.463    129.921   26.033    146.066   26.190    30.746  3.2084  32.663  3.0280  -1.916481      4.411616 
1 1 1 -3  -28 15 o 48.724  2.0276  323.476   26.306    336.186   36.792    310.182   37.627    49.732  2.7731  47.715  2.9587  2.017166       4.055104 
1 1 1 -3  -28 16 o 29.253  2.3147  118.032   17.781    109.341   25.081    126.816   25.214    28.125  3.3982  30.381  3.1439  -2.255856      4.629425 
1 1 1 -3  -28 17 o 55.192  2.0421  414.764   30.060    422.582   41.986    406.542   43.058    55.747  2.8211  54.636  2.9532  1.110497       4.084118 
1 1 1 -3  -28 18 o 58.370  2.0359  463.196   31.771    468.400   44.667    457.866   45.199    58.748  2.8386  57.992  2.9192  0.7562447      4.071821 
1 1 1 -3  -28 19 o 30.860  2.3146  131.240   18.801    121.407   26.328    141.471   26.856    29.640  3.3765  32.079  3.1670  -2.438753      4.629294 
1 1 1 -3  -28 20 o 24.672  2.5729  85.071    16.489    87.226    23.477    82.973    23.165    24.993  3.6118  24.351  3.6653  0.6424446      5.145822 
1 1 1 -3  -28 21 o 43.375  2.0504  257.386   23.642    270.222   33.132    244.069   33.747    44.514  2.7930  42.237  3.0026  2.277267       4.100779 
1 1 1 -3  -28 22 o 9.0373  2.7311  -0.3584   11.855    -5.4495   17.115    4.3372    16.437    8.4847  3.7677  9.5899  3.9547  -1.105188      5.462175 
1 1 1 -3  -28 23 o 17.476  3.1360  43.960    14.813    52.434    21.328    36.063    20.589    19.077  4.2792  15.874  4.5853  3.203201       6.271915 
1 1 1 -3  -28 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -28 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -28 26 o 42.351  2.1830  247.263   24.579    238.557   34.804    255.924   34.715    41.580  3.1484  43.122  3.0247  -1.542671      4.365908 
1 1 1 -3  -28 27 o 46.533  2.0985  297.974   26.014    302.133   37.212    293.998   36.380    46.845  2.9812  46.220  2.9541  0.6257820      4.196905 
1 1 1 -3  -28 28 o 36.865  2.2313  188.504   21.813    195.428   31.260    181.934   30.451    37.536  3.1381  36.195  3.1730  1.341267       4.462676 
1 1 1 -3  -28 29 o 17.904  3.3257  46.637    16.382    61.428    24.423    34.540    22.087    20.373  4.5862  15.435  4.8174  4.937930       6.651373 
1 1 1 -3  -28 30 o 47.121  2.1719  308.588   27.242    307.009   39.196    310.064   37.890    46.969  3.1336  47.273  3.0081  -0.3034821     4.343734 
1 1 1 -3  -28 31 o 32.358  2.4598  148.613   20.918    143.405   30.375    153.311   28.849    31.731  3.6398  32.986  3.3099  -1.255138      4.919695 
1 1 1 -3  -28 32 o 23.898  2.9935  84.311    18.053    123.251   26.758    51.775    24.459    29.406  3.4638  18.391  4.8833  11.01444       5.986984 
1 1 1 -3  -28 33 o 25.107  2.8534  92.715    18.363    110.792   26.590    76.233    25.390    27.674  3.6784  22.541  4.3630  5.132641       5.706749 
1 1 1 -3  -28 34 o 31.698  2.5303  145.130   20.983    163.935   30.252    127.696   29.128    33.813  3.3857  29.583  3.7611  4.230692       5.060557 
1 1 1 -3  -28 35 o 31.137  2.5920  141.677   21.142    153.933   30.268    130.001   29.544    32.558  3.5272  29.715  3.7989  2.842800       5.183924 
1 1 1 -3  -28 36 o 15.703  3.1497  33.164    17.412    -4.1785   24.436    71.675    24.816    9.9284  4.4489  21.477  4.4597  -11.54854      6.299343 
1 1 1 -3  -28 37 o 21.401  3.3417  73.994    18.869    93.927    26.617    53.857    26.753    24.780  4.1574  18.022  5.2330  6.757971       6.683409 
1 1 1 -3  -28 38 o 42.996  2.4441  271.568   27.865    255.856   39.353    287.369   39.463    41.624  3.5640  44.368  3.3453  -2.743382      4.888113 
1 1 1 -3  -28 39 o 18.073  3.6477  55.733    19.686    34.357    28.425    75.436    27.290    14.684  5.4408  21.462  4.8601  -6.777717      7.295426 
1 1 1 -3  -28 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -28 41 o 17.755  3.7133  55.701    20.063    34.752    28.339    76.750    28.407    14.399  5.4133  21.111  5.0844  -6.711601      7.426620 
1 1 1 -3  -28 42 o 10.284  3.2181  1.9203    17.843    -9.3508   24.860    13.896    25.626    9.1520  4.2452  11.416  4.8378  -2.264134      6.436283 
1 1 1 -3  -28 43 o 33.079  3.1831  186.097   26.668    148.650   37.945    222.642   37.486    28.778  5.1100  37.380  3.7967  -8.602762      6.366108 
1 1 1 -3  -27 1  o 83.149  2.2763  940.991   50.687    964.083   72.308    918.681   71.074    84.157  3.2078  82.142  3.2304  2.014877       4.552516 
1 1 1 -3  -27 2  o 16.135  2.7774  36.831    11.993    45.444    17.396    29.028    16.558    17.912  3.7464  14.358  4.1014  3.553072       5.554860 
1 1 1 -3  -27 3  o 23.405  2.3288  75.859    14.095    87.389    20.348    65.226    19.542    25.192  3.0797  21.618  3.4941  3.573923       4.657629 
1 1 1 -3  -27 4  o 24.171  2.2048  80.678    13.802    94.047    19.830    68.116    19.222    26.197  2.8731  22.144  3.3452  4.053713       4.409662 
1 1 1 -3  -27 5  o 52.562  1.9879  374.915   27.850    399.853   39.779    350.939   39.004    54.297  2.7441  50.827  2.8768  3.470257       3.975704 
1 1 1 -3  -27 6  o 15.177  2.7341  32.847    11.122    30.195    16.789    34.921    14.847    14.645  4.1114  15.708  3.6051  -1.062778      5.468160 
1 1 1 -3  -27 7  o 33.255  2.0199  150.675   17.790    161.682   25.463    140.179   24.864    34.464  2.7820  32.046  2.9292  2.418541       4.039788 
1 1 1 -3  -27 8  o 12.291  2.8539  19.911    10.869    17.954    16.177    21.521    14.674    11.996  4.1429  12.587  3.9263  -0.5912733     5.707839 
1 1 1 -3  -27 9  o 19.990  2.6468  56.244    13.631    54.106    19.708    58.205    18.874    19.584  3.8942  20.396  3.5856  -0.8121891     5.293530 
1 1 1 -3  -27 10 o 103.615 2.4820  1459.93   68.853    1520.69   98.015    1400.73   96.743    105.766 3.4599  101.465 3.5597  4.301361       4.964097 
1 1 1 -3  -27 11 o 22.251  2.5022  69.070    14.277    82.266    20.536    56.726    19.862    24.424  3.2173  20.078  3.8331  4.346703       5.004420 
1 1 1 -3  -27 12 o 89.014  2.2767  1075.04   54.274    1098.16   76.868    1052.04   76.643    89.980  3.1894  88.049  3.2498  1.931007       4.553421 
1 1 1 -3  -27 13 o 54.614  2.0029  404.419   29.194    395.009   40.864    414.229   41.722    53.963  2.8371  55.266  2.8280  -1.302910      4.005869 
1 1 1 -3  -27 14 o 33.097  2.1666  149.967   18.932    161.508   26.701    138.301   26.846    34.419  2.9240  31.774  3.1979  2.645094       4.333106 
1 1 1 -3  -27 15 o 73.562  2.1236  733.141   41.842    725.532   58.881    740.903   59.469    73.176  3.0041  73.948  3.0025  -0.7715378     4.247298 
1 1 1 -3  -27 16 o 39.074  2.0565  207.692   21.301    187.014   29.631    229.804   30.642    37.029  3.0138  41.119  2.7989  -4.090271      4.112973 
1 1 1 -3  -27 17 o 31.031  2.1437  131.763   17.589    133.277   24.846    130.242   24.902    31.216  3.0089  30.845  3.0543  0.3708344      4.287386 
1 1 1 -3  -27 18 o 46.390  1.9949  292.123   24.639    272.451   34.281    313.143   35.436    44.758  2.8748  48.022  2.7667  -3.264553      3.989834 
1 1 1 -3  -27 19 o 11.802  2.8611  14.727    11.756    28.731    17.232    2.5351    16.079    14.332  4.2108  9.2714  3.8746  5.060689       5.722228 
1 1 1 -3  -27 20 o 65.270  2.0523  577.795   35.867    581.159   50.181    574.282   51.285    65.476  2.8613  65.065  2.9428  0.4112244      4.104529 
1 1 1 -3  -27 21 o 46.589  2.0040  295.359   24.870    280.683   34.952    310.409   35.395    45.398  2.8894  47.780  2.7777  -2.381527      4.007982 
1 1 1 -3  -27 22 o 81.537  2.2281  904.761   48.659    906.277   68.550    903.222   69.080    81.612  3.1359  81.462  3.1660  0.1500320      4.456177 
1 1 1 -3  -27 23 o 60.038  2.0172  490.417   32.342    517.639   45.728    463.171   45.749    61.768  2.7640  58.308  2.9388  3.459507       4.034345 
1 1 1 -3  -27 24 o 13.077  3.1554  22.108    13.251    23.100    19.164    21.200    18.341    13.304  4.5114  12.850  4.4128  0.4536543      6.310715 
1 1 1 -3  -27 25 o 45.786  2.0606  286.443   25.136    292.693   35.674    280.280   35.423    46.291  2.8916  45.282  2.9365  1.009750       4.121215 
1 1 1 -3  -27 26 o 42.385  2.0743  245.996   23.403    244.903   33.211    247.074   32.984    42.286  2.9507  42.485  2.9162  -0.1987228     4.148652 
1 1 1 -3  -27 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -27 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -27 29 f 64.047  2.1363  562.702   36.644    565.290   52.256    560.199   51.399    64.183  3.0397  63.912  3.0025  0.2709923      4.272553 
1 1 1 -3  -27 30 o 29.486  2.4923  122.565   19.210    116.165   27.876    128.352   26.509    28.665  3.7183  30.307  3.3199  -1.642193      4.984674 
1 1 1 -3  -27 31 o 23.481  2.8341  79.056    17.138    88.365    25.277    71.137    23.315    24.809  3.9353  22.153  4.0795  2.655388       5.668240 
1 1 1 -3  -27 32 o 26.473  2.7229  100.761   18.698    97.027    26.963    104.221   25.953    25.918  4.0137  27.028  3.6807  -1.110313      5.445858 
1 1 1 -3  -27 33 o 37.065  2.2928  193.006   22.524    196.541   32.418    189.707   31.318    37.379  3.2708  36.750  3.2140  0.6297531      4.585631 
1 1 1 -3  -27 34 f 16.088  3.0910  36.692    16.020    6.7024    22.654    66.686    22.656    10.972  4.5933  21.205  4.1375  -10.23307      6.182065 
1 1 1 -3  -27 35 o 31.605  2.5087  143.967   20.836    150.820   29.329    136.985   29.606    32.445  3.4267  30.766  3.6649  1.679541       5.017331 
1 1 1 -3  -27 36 o 15.742  3.4644  38.632    16.258    34.096    23.595    42.732    22.435    14.959  5.0061  16.526  4.7902  -1.566887      6.928702 
1 1 1 -3  -27 37 o 10.117  3.1144  1.5129    15.811    2.7151    22.336    0.3056    22.384    10.243  4.4313  9.9908  4.3773  0.2518063      6.228795 
1 1 1 -3  -27 38 o 8.5157  2.7969  -14.3502  15.404    -20.5892  21.413    -7.6586   22.176    7.9150  3.7545  9.1163  4.1466  -1.201312      5.593863 
1 1 1 -3  -27 39 o 35.191  2.7989  189.491   24.816    138.097   35.071    241.020   35.118    29.663  4.5601  40.719  3.2468  -11.05606      5.597894 
1 1 1 -3  -27 40 f 14.696  3.6834  34.752    18.157    32.025    25.140    37.726    26.253    14.244  5.1423  15.148  5.2750  -0.9033508     7.366753 
1 1 1 -3  -27 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -27 42 o 15.841  3.2421  35.570    19.239    81.280    27.096    -10.9012  27.320    22.103  4.7203  9.5788  4.4456  12.52402       6.484232 
1 1 1 -3  -27 43 o 12.345  3.5135  17.767    19.126    38.601    27.295    -2.3312   26.808    14.674  5.3488  10.017  4.5573  4.657349       7.027014 
1 1 1 -3  -27 44 o 23.693  3.7518  106.142   24.014    69.345    33.345    145.789   34.613    18.196  5.9455  29.189  4.5777  -10.99307      7.503615 
1 1 1 -3  -26 1  o 33.949  2.0193  157.055   18.189    154.587   25.770    159.505   25.676    33.676  2.8849  34.223  2.8264  -0.5469856     4.038659 
1 1 1 -3  -26 2  o 23.267  2.2476  74.796    13.620    71.918    19.484    77.547    19.048    22.798  3.2856  23.736  3.0679  -0.9381084     4.495235 
1 1 1 -3  -26 3  o 27.393  2.1114  103.048   15.101    118.483   21.528    88.098    21.187    29.485  2.7580  25.301  3.1978  4.184168       4.222831 
1 1 1 -3  -26 4  o 28.174  2.0922  108.504   15.549    111.532   22.138    105.556   21.846    28.570  2.9345  27.777  2.9829  0.7932777      4.184409 
1 1 1 -3  -26 5  o 121.974 2.7785  2026.71   90.768    2058.27   129.242   1995.98   127.505   122.913 3.9257  121.035 3.9330  1.877853       5.556977 
1 1 1 -3  -26 6  o 49.100  1.9323  326.403   25.307    335.367   36.076    317.719   35.509    49.769  2.7165  48.432  2.7486  1.337456       3.864503 
1 1 1 -3  -26 7  o 22.436  2.3002  70.006    13.302    61.081    19.029    78.535    18.602    20.945  3.5165  23.927  2.9662  -2.981520      4.600470 
1 1 1 -3  -26 8  o 37.658  1.9938  192.822   19.920    179.329   28.233    206.198   28.111    36.317  2.9272  38.998  2.7080  -2.681477      3.987699 
1 1 1 -3  -26 9  o 129.442 2.8115  2279.85   97.459    2339.28   138.576   2221.69   137.090   131.126 3.9456  127.757 4.0062  3.368950       5.622912 
1 1 1 -3  -26 10 o 30.261  2.0882  124.857   16.710    123.348   23.588    126.377   23.674    30.073  2.9671  30.449  2.9393  -0.3755760     4.176461 
1 1 1 -3  -26 11 o 74.210  2.1169  744.154   42.077    744.778   59.438    743.529   59.573    74.243  2.9890  74.178  2.9984  0.6433868E-01  4.233705 
1 1 1 -3  -26 12 o 38.164  1.9720  198.136   19.956    211.397   27.907    184.258   28.550    39.504  2.6528  36.823  2.9185  2.680756       3.943957 
1 1 1 -3  -26 13 o 56.086  1.9575  425.669   29.308    445.578   41.088    405.047   41.818    57.476  2.6690  54.697  2.8643  2.778763       3.915067 
1 1 1 -3  -26 14 o 56.550  1.9785  431.903   29.899    412.145   41.705    452.796   42.886    55.179  2.8313  57.922  2.7643  -2.742107      3.956986 
1 1 1 -3  -26 15 f 111.506 2.5366  1687.33   75.759    1676.78   106.855   1697.99   107.426   111.155 3.5890  111.857 3.5856  -0.7022552     5.073217 
1 1 1 -3  -26 16 o 101.061 2.4101  1384.99   65.226    1406.09   91.813    1363.50   92.680    101.853 3.3654  100.268 3.4509  1.585091       4.820250 
1 1 1 -3  -26 17 o 54.559  1.9725  402.841   28.721    391.977   40.068    414.322   41.191    53.800  2.7901  55.317  2.7890  -1.516243      3.945040 
1 1 1 -3  -26 18 o 32.967  2.0686  148.792   17.961    164.533   25.190    132.512   25.618    34.800  2.7242  31.134  3.1138  3.666039       4.137218 
1 1 1 -3  -26 19 o 19.101  2.7671  51.956    13.686    40.679    19.421    63.081    19.291    16.922  4.2815  21.280  3.5066  -4.358328      5.534162 
1 1 1 -3  -26 20 o 17.542  2.8920  43.640    13.474    54.755    19.358    33.195    18.766    19.725  3.8018  15.359  4.3590  4.365254       5.784014 
1 1 1 -3  -26 21 o 78.758  2.1576  840.927   45.493    807.244   64.076    875.166   64.602    77.152  3.1007  80.364  3.0012  -3.211906      4.315286 
1 1 1 -3  -26 22 o 69.580  2.0693  656.390   38.538    685.243   54.506    627.546   54.496    71.128  2.8609  68.033  2.9906  3.095695       4.138675 
1 1 1 -3  -26 23 o 14.288  3.0295  28.309    12.585    24.144    17.704    32.563    17.893    13.404  4.3290  15.172  4.2392  -1.768326      6.058956 
1 1 1 -3  -26 24 o 28.464  2.2517  111.500   16.849    118.705   24.044    104.548   23.617    29.398  3.1002  27.530  3.2665  1.867702       4.503490 
1 1 1 -3  -26 25 o 54.486  2.0179  403.444   29.315    440.311   41.946    368.246   40.985    56.987  2.7481  51.985  2.9557  5.001637       4.035822 
1 1 1 -3  -26 26 o 57.892  2.0197  456.130   31.239    444.147   44.618    467.652   43.753    57.089  2.9277  58.695  2.7830  -1.606079      4.039390 
1 1 1 -3  -26 27 o 19.168  3.0393  53.738    15.337    40.180    22.304    65.898    21.123    16.736  4.7531  21.600  3.7892  -4.864056      6.078672 
1 1 1 -3  -26 28 o 56.245  2.0491  431.298   30.763    463.060   44.047    401.049   42.984    58.331  2.8192  54.159  2.9745  4.171669       4.098261 
1 1 1 -3  -26 29 o 45.979  2.0962  289.463   25.660    297.879   37.157    281.790   35.478    46.609  2.9921  45.348  2.9366  1.261532       4.192451 
1 1 1 -3  -26 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -26 31 o 10.132  3.0464  1.8159    14.492    -2.0583   21.472    5.0568    19.639    9.9038  4.3146  10.360  4.3019  -0.4566545     6.092770 
1 1 1 -3  -26 32 o 56.877  2.1091  445.810   32.009    459.065   45.925    433.289   44.637    57.701  2.9817  56.053  2.9839  1.648521       4.218295 
1 1 1 -3  -26 33 o 26.777  2.7520  102.738   19.156    102.203   27.280    103.257   26.906    26.689  3.9341  26.865  3.8491  -0.1764660     5.503907 
1 1 1 -3  -26 34 o 12.306  3.1653  15.234    15.167    -5.5254   22.392    32.832    20.616    9.6436  4.2944  14.969  4.6514  -5.325138      6.330675 
1 1 1 -3  -26 35 o 13.207  3.3424  22.135    15.669    9.9728    22.664    33.272    21.688    11.411  4.6675  15.003  4.7856  -3.591727      6.684889 
1 1 1 -3  -26 36 o 19.745  3.3757  60.081    17.660    62.342    25.077    57.857    24.875    20.140  4.7294  19.350  4.8180  0.7897053      6.751329 
1 1 1 -3  -26 37 o 32.224  2.6672  151.841   22.255    180.620   32.035    124.996   30.940    35.443  3.4168  29.004  4.0966  6.438606       5.334492 
1 1 1 -3  -26 38 o 8.7666  2.8427  -10.7874  15.231    -5.4542   20.978    -16.7330  22.149    9.1218  4.1021  8.4115  3.9365  0.7103319      5.685370 
1 1 1 -3  -26 39 f 11.278  3.2845  11.518    15.990    10.908    22.045    12.195    23.229    11.109  4.5805  11.447  4.7087  -0.3379841     6.569071 
1 1 1 -3  -26 40 o 13.652  3.4296  25.705    17.271    44.581    24.085    5.7234    24.781    16.450  5.0131  10.853  4.6816  5.597134       6.859169 
1 1 1 -3  -26 41 o 13.563  3.7357  26.292    19.605    30.489    27.838    22.161    27.616    14.112  5.3515  13.013  5.2137  1.098825       7.471313 
1 1 1 -3  -26 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -26 43 o 22.288  3.8804  88.596    23.062    80.171    32.145    97.532    33.107    21.009  5.6077  23.567  5.3651  -2.557741      7.760837 
1 1 1 -3  -26 44 o 14.676  3.7879  37.601    20.673    55.491    28.694    18.292    29.810    17.128  5.5089  12.223  5.2003  4.905236       7.575734 
1 1 1 -3  -26 45 f 21.451  4.0061  91.806    24.382    64.547    33.703    121.737   35.317    17.346  5.9804  25.556  5.3319  -8.209835      8.012100 
1 1 1 -3  -25 1  o 118.975 2.7244  1925.61   86.813    1920.51   123.404   1930.62   122.150   118.807 3.8779  119.143 3.8277  -0.3364258     5.448807 
1 1 1 -3  -25 2  o 15.469  2.5336  32.535    11.234    57.234    16.546    11.411    15.302    20.342  3.1377  10.596  3.9789  9.745689       5.067179 
1 1 1 -3  -25 3  o 82.608  2.2212  922.454   49.144    930.592   70.006    914.547   69.005    82.965  3.1503  82.252  3.1322  0.7138672      4.442377 
1 1 1 -3  -25 4  o 77.583  2.1466  812.894   44.602    811.099   63.559    814.635   62.605    77.493  3.0622  77.673  3.0092  -0.1800461     4.293248 
1 1 1 -3  -25 5  o 134.506 2.9088  2459.56   104.749   2397.00   148.901   2520.85   147.386   132.777 4.1868  136.235 4.0390  -3.457733      5.817501 
1 1 1 -3  -25 6  o 77.279  2.1158  805.604   43.788    824.823   62.356    786.906   61.504    78.191  2.9774  76.367  3.0069  1.823921       4.231528 
1 1 1 -3  -25 7  o 59.192  1.9666  472.310   31.168    461.754   44.338    482.620   43.821    58.531  2.8282  59.852  2.7335  -1.320415      3.933257 
1 1 1 -3  -25 8  o 37.505  1.9716  190.525   19.663    192.793   27.962    188.306   27.655    37.727  2.7868  37.283  2.7896  0.4443741      3.943142 
1 1 1 -3  -25 9  o 46.049  1.9404  287.116   23.766    308.339   33.521    265.667   33.701    47.786  2.6291  44.312  2.8546  3.474419       3.880812 
1 1 1 -3  -25 10 o 68.623  2.0463  634.617   37.611    638.314   53.144    630.908   53.236    68.825  2.8828  68.421  2.9048  0.4036789      4.092536 
1 1 1 -3  -25 11 o 116.884 2.6423  1848.63   82.711    1886.30   117.129   1811.16   116.813   118.083 3.7033  115.686 3.7698  2.396721       5.284502 
1 1 1 -3  -25 12 o 108.776 2.5302  1599.67   73.715    1613.67   104.116   1585.59   104.382   109.259 3.5577  108.293 3.5986  0.9664612      5.060375 
1 1 1 -3  -25 13 o 57.754  1.9766  450.231   30.497    466.303   42.829    433.701   43.436    58.846  2.7173  56.662  2.8714  2.183735       3.953276 
1 1 1 -3  -25 14 o 75.440  2.0973  766.990   42.363    738.422   59.357    796.648   60.478    74.004  2.9945  76.876  2.9371  -2.872147      4.194508 
1 1 1 -3  -25 15 o 45.662  1.9306  281.758   23.497    278.910   32.778    284.768   33.700    45.427  2.7062  45.896  2.7541  -0.4690666     3.861143 
1 1 1 -3  -25 16 o 59.762  1.9721  481.200   31.553    478.239   43.906    484.363   45.376    59.577  2.7514  59.948  2.8260  -0.3703232     3.944166 
1 1 1 -3  -25 17 o 49.217  1.9192  327.744   25.166    336.134   34.973    318.733   36.242    49.887  2.6265  48.547  2.7990  1.340195       3.838360 
1 1 1 -3  -25 18 o 90.798  2.2829  1114.48   55.506    1134.23   78.082    1094.32   78.920    91.623  3.1817  89.973  3.2748  1.649719       4.565898 
1 1 1 -3  -25 19 f 80.370  2.1225  872.250   45.689    870.046   64.241    874.505   64.995    80.270  2.9879  80.470  3.0155  -0.1992722     4.245078 
1 1 1 -3  -25 20 o 29.770  2.1919  122.959   16.822    147.518   23.522    97.249    24.067    32.965  2.6874  26.575  3.4635  6.389864       4.383837 
1 1 1 -3  -25 21 o 45.008  1.9128  274.348   22.952    274.778   32.384    273.913   32.535    45.045  2.6964  44.971  2.7138  0.7451630E-01  3.825611 
1 1 1 -3  -25 22 o 68.171  2.0194  628.355   36.845    598.698   52.012    658.228   52.201    66.542  2.9182  69.800  2.7921  -3.257957      4.038802 
1 1 1 -3  -25 23 o 62.513  1.9957  528.447   33.415    535.516   47.281    521.393   47.230    62.935  2.8048  62.092  2.8399  0.8428230      3.991491 
1 1 1 -3  -25 24 o 11.488  2.9233  14.539    11.657    21.037    17.037    8.8198    15.984    12.723  4.2539  10.252  4.0108  2.471025       5.846536 
1 1 1 -3  -25 25 o 44.457  1.9792  268.716   23.440    265.518   33.483    271.790   32.824    44.186  2.8442  44.729  2.7532  -0.5421104     3.958471 
1 1 1 -3  -25 26 o 51.175  2.0082  356.913   27.325    321.328   38.880    391.645   38.411    48.562  3.0038  53.788  2.6661  -5.225761      4.016367 
1 1 1 -3  -25 27 o 65.762  2.0506  587.241   36.105    581.333   51.652    592.887   50.489    65.423  2.9476  66.100  2.8517  -0.6764908     4.101288 
1 1 1 -3  -25 28 o 22.877  2.6607  73.932    15.658    68.249    22.758    79.041    21.578    21.948  4.0193  23.806  3.4874  -1.858206      5.321368 
1 1 1 -3  -25 29 o 50.983  2.0291  354.949   27.562    346.188   39.646    363.144   38.344    50.344  2.9530  51.622  2.7835  -1.277611      4.058105 
1 1 1 -3  -25 30 o 23.204  2.7911  75.959    16.680    85.618    24.408    67.497    22.846    24.650  3.8205  21.757  4.0699  2.892630       5.582164 
1 1 1 -3  -25 31 o 53.524  2.1200  393.657   30.193    370.182   43.263    415.947   42.157    51.907  3.1263  55.142  2.8641  -3.235214      4.239946 
1 1 1 -3  -25 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -25 33 o 34.213  2.3692  163.015   21.416    168.595   31.034    157.942   29.592    34.766  3.3751  33.660  3.3258  1.106121       4.738371 
1 1 1 -3  -25 34 o 36.042  2.3656  181.552   22.560    190.728   32.365    172.880   31.464    36.952  3.3050  35.132  3.3856  1.819839       4.731280 
1 1 1 -3  -25 35 o 16.932  3.3577  42.688    16.179    31.685    22.744    53.960    23.020    14.868  4.9129  18.996  4.5782  -4.127507      6.715389 
1 1 1 -3  -25 36 o 26.105  2.8547  99.312    19.312    102.349   27.566    96.384    27.063    26.520  4.0054  25.690  4.0686  0.8301373      5.709357 
1 1 1 -3  -25 37 o 25.972  3.0031  100.405   20.075    89.609    28.501    111.035   28.280    24.388  4.5298  27.556  3.9440  -3.168137      6.006227 
1 1 1 -3  -25 38 o 9.9964  3.0122  0.5749    14.726    -11.2637  20.492    13.220    21.178    8.5288  3.9194  11.464  4.5751  -2.935122      6.024370 
1 1 1 -3  -25 39 o 10.926  3.2404  7.9727    16.048    11.234    22.009    4.2713    23.448    11.228  4.5968  10.625  4.5684  0.6028681      6.480875 
1 1 1 -3  -25 40 o 10.499  3.2202  1.9404    16.889    -5.9676   22.948    11.286    24.946    9.4265  4.2599  11.572  4.8304  -2.146016      6.440452 
1 1 1 -3  -25 41 o 21.413  3.6422  76.841    21.213    53.551    29.763    100.886   30.242    17.636  5.6042  25.191  4.6536  -7.554140      7.284414 
1 1 1 -3  -25 42 o 17.930  3.7785  54.741    20.177    38.442    28.025    72.281    29.072    15.228  5.4371  20.632  5.2483  -5.403617      7.556916 
1 1 1 -3  -25 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -25 44 f 8.1940  2.7875  -27.8064  18.197    -17.3690  24.490    -40.6710  27.189    8.5827  4.0546  7.8052  3.8265  0.7775044      5.575089 
1 1 1 -3  -25 45 f 9.7083  3.1460  -6.0406   18.282    -15.1838  23.977    6.6558    28.255    8.5167  4.0199  10.900  4.8405  -2.383204      6.292082 
1 1 1 -3  -25 46 o 23.711  3.8970  111.823   25.131    77.929    35.434    146.131   35.649    18.763  6.1288  28.659  4.8149  -9.895445      7.793952 
1 1 1 -3  -24 1  o 41.602  1.9314  234.241   21.396    230.883   30.490    237.499   30.031    41.301  2.7722  41.904  2.6899  -0.6030235     3.862736 
1 1 1 -3  -24 2  o 97.757  2.3863  1290.91   62.477    1287.09   88.939    1294.62   87.784    97.608  3.4019  97.907  3.3474  -0.2987747     4.772640 
1 1 1 -3  -24 3  o 66.892  2.0414  602.751   36.533    641.810   52.086    564.927   51.256    69.034  2.8169  64.749  2.9554  4.284828       4.082812 
1 1 1 -3  -24 4  o 57.991  1.9521  453.205   30.233    482.587   43.095    424.731   42.425    59.886  2.6867  56.097  2.8327  3.789497       3.904146 
1 1 1 -3  -24 5  o 125.698 2.7555  2135.74   92.765    2166.47   131.978   2105.74   130.415   126.593 3.8923  124.803 3.9013  1.789375       5.510909 
1 1 1 -3  -24 6  o 82.929  2.1726  926.048   48.254    941.159   68.658    911.298   67.832    83.598  3.0662  82.259  3.0787  1.338745       4.345110 
1 1 1 -3  -24 7  o 52.987  1.9226  378.589   27.193    384.903   38.497    372.301   38.416    53.432  2.6986  52.543  2.7392  0.8895912      3.845200 
1 1 1 -3  -24 8  o 130.071 2.8063  2285.35   97.746    2352.99   138.798   2218.81   137.676   131.992 3.9260  128.150 4.0110  3.841980       5.612595 
1 1 1 -3  -24 9  o 68.082  2.0473  623.543   37.330    610.531   52.620    636.727   52.968    67.365  2.9163  68.799  2.8743  -1.434502      4.094668 
1 1 1 -3  -24 10 o 126.666 2.7437  2165.93   93.074    2215.06   131.903   2117.21   131.351   128.107 3.8441  125.226 3.9161  2.880066       5.487483 
1 1 1 -3  -24 11 f 76.847  2.1037  794.496   43.299    786.854   60.860    802.329   61.615    76.474  2.9712  77.221  2.9790  -0.7473907     4.207386 
1 1 1 -3  -24 12 o 96.013  2.3115  1241.54   59.443    1240.62   83.785    1242.47   84.349    95.979  3.2591  96.047  3.2787  -0.6828308E-01 4.622965 
1 1 1 -3  -24 13 o 134.278 2.8537  2435.72   102.629   2394.19   144.846   2477.59   145.434   133.121 4.0623  135.435 4.0091  -2.314056      5.707464 
1 1 1 -3  -24 14 o 45.750  1.9486  282.944   23.725    294.885   33.102    270.329   34.023    46.760  2.6539  44.739  2.8541  2.020966       3.897268 
1 1 1 -3  -24 15 f 89.395  2.2377  1076.15   53.574    1069.84   75.109    1082.69   76.439    89.131  3.1461  89.659  3.1830  -0.5278702     4.475437 
1 1 1 -3  -24 16 o 96.232  2.3262  1247.78   59.953    1225.28   84.157    1270.98   85.429    95.350  3.2952  97.114  3.2843  -1.763962      4.652386 
1 1 1 -3  -24 17 o 46.419  1.9270  290.625   23.748    255.848   32.968    328.131   34.237    43.509  2.8446  49.329  2.6004  -5.820129      3.854022 
1 1 1 -3  -24 18 o 86.285  2.1893  1003.52   50.582    1020.80   71.124    985.834   71.951    87.045  3.0506  85.525  3.1409  1.519150       4.378524 
1 1 1 -3  -24 19 o 72.379  2.0251  706.263   39.215    739.931   55.207    671.974   55.714    74.133  2.7803  70.624  2.9453  3.509056       4.050255 
1 1 1 -3  -24 20 o 14.308  2.9467  28.324    11.997    26.374    17.183    30.179    16.758    13.909  4.2333  14.708  4.1000  -0.7991133     5.893315 
1 1 1 -3  -24 21 o 57.232  1.9505  442.576   29.785    472.458   42.006    412.361   42.239    59.229  2.6478  55.235  2.8649  3.993984       3.901071 
1 1 1 -3  -24 22 o 43.693  1.9157  258.316   22.305    254.738   31.662    261.841   31.427    43.386  2.7386  43.999  2.6795  -0.6125374     3.831395 
1 1 1 -3  -24 23 o 44.628  1.9149  269.589   22.780    267.081   32.280    272.078   32.153    44.417  2.7264  44.839  2.6896  -0.4216232     3.829808 
1 1 1 -3  -24 24 o 33.292  2.0321  150.691   17.935    154.937   25.853    146.751   24.901    33.745  2.8881  32.840  2.8594  0.9047775      4.064174 
1 1 1 -3  -24 25 o 27.009  2.2406  100.448   15.839    94.068    22.799    106.399   22.021    26.132  3.3332  27.886  2.9951  -1.754379      4.481177 
1 1 1 -3  -24 26 o 16.649  2.8844  38.751    12.944    51.265    19.107    28.136    17.598    19.053  3.8760  14.245  4.2727  4.807840       5.768816 
1 1 1 -3  -24 27 o 34.440  2.0786  161.843   18.977    163.471   27.425    160.347   26.287    34.597  2.9888  34.284  2.8895  0.3129425      4.157194 
1 1 1 -3  -24 28 o 52.404  2.0126  373.604   28.106    369.293   40.673    377.543   38.883    52.091  2.9270  52.717  2.7633  -0.6258850     4.025287 
1 1 1 -3  -24 29 f 25.910  2.4752  93.027    16.689    96.523    24.727    90.101    22.618    26.336  3.5995  25.483  3.3985  0.8536930      4.950378 
1 1 1 -3  -24 30 o 110.820 2.6207  1685.69   77.787    1682.31   110.495   1689.02   109.526   110.695 3.7267  110.946 3.6857  -0.2501450     5.241446 
1 1 1 -3  -24 31 o 48.303  2.0626  318.417   26.535    338.083   38.244    300.162   36.847    49.755  2.8820  46.850  2.9513  2.905090       4.125103 
1 1 1 -3  -24 32 o 55.812  2.1224  427.293   31.520    385.852   44.695    468.296   44.458    53.007  3.1624  58.617  2.8316  -5.610603      4.244853 
1 1 1 -3  -24 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -24 34 o 44.011  2.3022  268.512   26.934    261.419   38.258    275.482   37.926    43.404  3.3159  44.618  3.1947  -1.213223      4.604457 
1 1 1 -3  -24 35 o 13.361  3.0342  17.593    15.233    46.923    21.507    -11.9283  21.577    17.816  4.5044  8.9067  4.0663  8.909466       6.068319 
1 1 1 -3  -24 36 o 12.665  3.1828  12.875    16.285    -16.1060  23.448    39.880    22.634    8.9637  4.1454  16.367  4.8308  -7.403186      6.365651 
1 1 1 -3  -24 37 o 27.216  2.9019  108.060   20.479    113.288   29.078    102.915   28.846    27.934  4.0007  26.499  4.2046  1.435125       5.803842 
1 1 1 -3  -24 38 o 12.154  2.9238  4.6503    15.159    -30.9829  20.831    44.766    22.102    7.2186  3.4958  17.090  4.6875  -9.871593      5.847540 
1 1 1 -3  -24 39 o 38.982  2.5438  221.269   25.891    185.946   36.831    255.778   36.405    35.590  3.9292  42.373  3.2319  -6.783688      5.087638 
1 1 1 -3  -24 40 o 16.340  3.6178  41.695    18.604    24.051    26.148    59.782    26.474    13.441  5.1650  19.239  5.0673  -5.797295      7.235617 
1 1 1 -3  -24 41 f 26.032  3.2677  106.499   21.934    111.496   30.951    101.456   31.088    26.776  4.4734  25.288  4.7646  1.488430       6.535470 
1 1 1 -3  -24 42 o 11.160  3.3192  8.3049    17.336    18.943    24.137    -3.0309   24.916    12.328  4.8955  9.9910  4.4836  2.337127       6.638416 
1 1 1 -3  -24 43 o 12.901  3.6546  21.079    19.755    30.913    26.490    8.7574    29.652    14.068  5.2445  11.733  5.0910  2.334499       7.309099 
1 1 1 -3  -24 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -24 45 o 11.470  3.4872  12.012    19.334    13.747    26.743    10.114    27.983    11.588  4.9277  11.353  4.9357  0.2349730      6.974485 
1 1 1 -3  -24 46 o 23.529  3.9793  105.529   24.765    110.279   34.560    100.515   35.505    24.382  5.4313  22.676  5.8172  1.705992       7.958574 
1 1 1 -3  -23 1  o 149.651 3.1279  3033.06   125.331   3145.79   178.160   2922.62   176.344   152.426 4.3638  146.876 4.4825  5.550323       6.255811 
1 1 1 -3  -23 2  o 56.050  1.9454  422.470   29.204    418.565   41.446    426.320   41.156    55.791  2.7735  56.309  2.7287  -0.5181580     3.890809 
1 1 1 -3  -23 3  o 38.759  1.8984  202.877   19.575    211.655   27.814    194.263   27.554    39.599  2.6374  37.919  2.7312  1.680420       3.796756 
1 1 1 -3  -23 4  o 72.741  2.0621  711.492   40.172    705.876   57.131    716.985   56.497    72.454  2.9439  73.027  2.8884  -0.5733719     4.124232 
1 1 1 -3  -23 5  o 117.934 2.6477  1874.59   83.615    1840.47   118.793   1908.09   117.713   116.860 3.7952  119.007 3.6928  -2.147270      5.295363 
1 1 1 -3  -23 6  o 43.045  1.9535  249.956   22.403    248.921   31.736    250.983   31.630    42.954  2.7732  43.135  2.7520  -0.1807175     3.906926 
1 1 1 -3  -23 7  o 68.667  2.0399  633.584   37.518    637.870   53.145    629.326   52.971    68.899  2.8798  68.435  2.8899  0.4637527      4.079757 
1 1 1 -3  -23 8  o 90.166  3.2335  1100.52   77.640    1114.81   105.744   1083.81   114.360   90.901  4.3431  89.432  4.7915  1.468590       6.466925 
1 1 1 -3  -23 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -23 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -23 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -23 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -23 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -23 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -23 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -23 16 o 109.087 3.3152  1671.92   87.846    1771.10   106.243   1457.57   156.189   114.705 3.4581  103.468 5.6572  11.23614       6.630377 
1 1 1 -3  -23 17 o 69.844  2.0200  655.368   37.775    631.879   52.813    679.974   54.053    68.561  2.8759  71.126  2.8373  -2.564911      4.039937 
1 1 1 -3  -23 18 o 47.852  1.9384  309.197   24.704    322.103   34.557    295.707   35.329    48.889  2.6488  46.815  2.8308  2.073696       3.876825 
1 1 1 -3  -23 19 o 104.644 2.3848  1475.52   66.821    1510.32   94.141    1440.18   94.862    105.897 3.3190  103.390 3.4255  2.507011       4.769665 
1 1 1 -3  -23 20 o 66.996  2.0046  603.732   35.970    594.141   50.611    613.521   51.132    66.458  2.8432  67.535  2.8267  -1.076920      4.009226 
1 1 1 -3  -23 21 o 118.480 2.6329  1895.69   83.555    1895.72   118.090   1895.65   118.239   118.482 3.7211  118.479 3.7259  0.3211975E-02  5.265819 
1 1 1 -3  -23 22 o 77.362  2.0752  806.078   42.998    817.760   60.975    794.522   60.643    77.922  2.9215  76.803  2.9479  1.119011       4.150332 
1 1 1 -3  -23 23 o 78.305  2.1250  826.671   44.567    821.679   63.243    831.596   62.815    78.067  3.0245  78.543  2.9858  -0.4763641     4.250038 
1 1 1 -3  -23 24 o 75.530  2.0691  769.323   41.856    773.292   59.585    765.456   58.811    75.720  2.9379  75.339  2.9144  0.3803711      4.138211 
1 1 1 -3  -23 25 o 48.058  1.9402  313.769   24.758    288.072   35.610    337.815   34.446    46.112  2.8979  50.005  2.5806  -3.893330      3.880366 
1 1 1 -3  -23 26 o 51.010  1.9574  352.995   26.583    336.356   38.261    368.522   36.962    49.820  2.8795  52.201  2.6523  -2.380524      3.914851 
1 1 1 -3  -23 27 o 83.333  2.2060  940.217   49.229    963.294   70.401    918.136   68.864    84.334  3.1166  82.332  3.1228  2.002296       4.411928 
1 1 1 -3  -23 28 o 25.709  2.3971  90.794    15.778    115.565   23.337    69.936    21.414    29.047  3.0448  22.372  3.7033  6.675282       4.794248 
1 1 1 -3  -23 29 o 74.986  2.1275  762.870   42.723    767.321   61.035    758.594   59.823    75.193  3.0305  74.778  2.9868  0.4147110      4.254950 
1 1 1 -3  -23 30 o 48.013  2.0332  314.286   25.984    305.329   37.487    322.569   36.048    47.324  2.9725  48.701  2.7749  -1.376972      4.066423 
1 1 1 -3  -23 31 o 34.402  2.2435  162.525   20.369    179.601   29.235    146.415   28.397    36.206  3.0428  32.598  3.2976  3.607681       4.486962 
1 1 1 -3  -23 32 o 11.662  3.1338  12.558    14.038    2.4563    20.308    21.802    19.426    10.247  4.3225  13.078  4.5385  -2.830851      6.267508 
1 1 1 -3  -23 33 o 76.225  2.2404  795.222   45.723    776.109   64.990    813.954   64.340    75.289  3.2227  77.160  3.1132  -1.870155      4.480796 
1 1 1 -3  -23 34 o 23.269  3.0960  77.929    18.552    89.794    26.775    66.972    25.729    25.093  4.1273  21.446  4.6159  3.647097       6.192034 
1 1 1 -3  -23 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -23 36 o 36.734  2.4584  190.917   23.488    155.842   33.377    225.329   33.059    33.161  3.8281  40.306  3.0857  -7.144974      4.916858 
1 1 1 -3  -23 37 o 17.362  3.4457  45.167    16.968    34.808    23.997    55.525    23.995    15.483  5.0430  19.242  4.6968  -3.759176      6.891407 
1 1 1 -3  -23 38 o 46.499  2.3734  304.598   29.346    317.979   42.010    291.846   41.011    47.524  3.3212  45.474  3.3914  2.050232       4.746811 
1 1 1 -3  -23 39 o 20.804  3.4237  66.898    18.779    75.142    26.581    58.685    26.533    22.223  4.6165  19.385  5.0570  2.838047       6.847301 
1 1 1 -3  -23 40 o 21.626  3.4656  73.267    20.135    46.688    27.622    103.404   29.413    17.094  5.3954  26.158  4.3510  -9.064005      6.931159 
1 1 1 -3  -23 41 o 16.052  3.4072  37.778    18.388    7.6476    25.920    68.302    26.089    11.369  4.8433  20.735  4.7934  -9.365667      6.814313 
1 1 1 -3  -23 42 o 13.338  3.5655  23.614    17.997    11.631    25.036    36.428    25.889    11.585  4.8376  15.091  5.2393  -3.505431      7.131095 
1 1 1 -3  -23 43 o 11.085  3.3840  6.6504    18.284    4.7927    24.845    8.8451    27.005    10.717  4.6550  11.453  4.9130  -0.7364750     6.768028 
1 1 1 -3  -23 44 o 13.103  5.5175  19.542    32.993    19.542    32.993    0.0000    0.0000    13.103  5.5175  ?       ?       ?              ?        
1 1 1 -3  -23 45 f 14.583  3.6839  31.376    21.193    60.741    29.097    -1.8073   30.931    18.348  5.4920  10.818  4.9116  7.530283       7.367882 
1 1 1 -3  -23 46 o 14.872  3.8459  36.742    22.665    64.756    31.197    5.4229    32.986    18.334  5.7258  11.410  5.1362  6.924633       7.691895 
1 1 1 -3  -23 47 o 22.299  4.0924  101.867   25.686    127.632   35.889    74.806    36.780    26.261  5.2852  18.337  6.2496  7.923504       8.184851 
1 1 1 -3  -22 1  o 74.919  2.0912  754.992   41.928    725.824   59.653    783.469   58.943    73.481  3.0309  76.357  2.8820  -2.875832      4.182365 
1 1 1 -3  -22 2  o 192.731 5.4849  5086.80   283.112   5043.29   396.859   5131.89   403.998   191.912 7.7205  193.550 7.7929  -1.638306      10.96972 
1 1 1 -3  -22 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -22 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -22 5  o 216.485 4.2417  6347.80   245.949   6425.50   348.655   6270.85   346.999   217.813 5.9762  215.158 6.0212  2.655258       8.483475 
1 1 1 -3  -22 6  o 159.655 3.2661  3435.70   139.666   3435.20   198.135   3436.19   196.906   159.640 4.6337  159.669 4.6041  -0.2952576E-01 6.532189 
1 1 1 -3  -22 7  o 42.570  1.9062  244.208   21.618    245.619   30.297    242.745   30.857    42.699  2.6624  42.441  2.7289  0.2579994      3.812473 
1 1 1 -3  -22 8  o 67.814  1.9990  617.276   36.309    616.681   51.251    617.876   51.446    67.781  2.8229  67.846  2.8310  -0.6520844E-01 3.997934 
1 1 1 -3  -22 9  o 51.242  1.9365  353.485   26.469    356.795   36.977    350.005   37.907    51.493  2.6903  50.991  2.7860  0.5024261      3.872926 
1 1 1 -3  -22 10 o 214.026 4.1699  6194.29   239.017   6303.13   338.135   6085.59   337.907   215.923 5.8466  212.130 5.9471  3.793442       8.339717 
1 1 1 -3  -22 11 o 51.916  1.9668  362.942   27.232    368.636   38.035    356.952   39.007    52.341  2.7224  51.491  2.8392  0.8492966      3.933537 
1 1 1 -3  -22 12 o 132.248 2.7815  2352.52   98.526    2363.02   138.985   2341.91   139.691   132.547 3.9148  131.949 3.9525  0.5986328      5.563085 
1 1 1 -3  -22 13 o 51.433  1.9172  355.700   26.298    336.671   36.661    375.870   37.744    50.010  2.7474  52.856  2.6747  -2.846142      3.834408 
1 1 1 -3  -22 14 o 67.442  1.9768  611.164   35.671    629.627   49.829    591.757   51.087    68.492  2.7162  66.392  2.8728  2.100266       3.953555 
1 1 1 -3  -22 15 o 30.878  2.0976  128.948   17.091    117.488   23.647    141.482   24.731    29.421  3.0448  32.334  2.8859  -2.913059      4.195165 
1 1 1 -3  -22 16 o 46.422  1.9131  290.955   23.623    308.218   33.012    272.837   33.819    47.853  2.5852  44.991  2.8207  2.861839       3.826143 
1 1 1 -3  -22 17 o 182.640 3.6270  4507.81   177.404   4590.26   250.560   4424.93   251.216   184.332 5.0748  180.948 5.1833  3.383881       7.253994 
1 1 1 -3  -22 18 o 147.667 4.2996  2957.59   170.008   3048.97   243.874   2871.20   237.124   149.887 6.0746  145.448 6.0867  4.438919       8.599289 
1 1 1 -3  -22 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -22 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -22 21 o 98.898  2.3575  1316.57   62.448    1317.42   88.283    1315.72   88.347    98.930  3.3317  98.865  3.3362  0.6437683E-01  4.714929 
1 1 1 -3  -22 22 o 144.583 3.0280  2825.60   117.262   2836.22   165.993   2815.03   165.674   144.855 4.2783  144.311 4.2861  0.5444183      6.055943 
1 1 1 -3  -22 23 o 24.319  2.5023  81.314    15.774    82.476    23.282    80.327    21.447    24.459  3.6667  24.179  3.4061  0.2804947      5.004564 
1 1 1 -3  -22 24 o 55.237  1.9416  411.090   28.652    411.386   41.376    410.817   39.716    55.216  2.8069  55.259  2.6833  -0.4373550E-01 3.883139 
1 1 1 -3  -22 25 o 46.024  1.9512  286.572   23.903    279.341   34.535    293.222   33.117    45.450  2.8513  46.598  2.6644  -1.147774      3.902420 
1 1 1 -3  -22 26 o 86.866  2.2119  1018.76   51.456    1013.00   73.353    1024.34   72.199    86.617  3.1617  87.116  3.0942  -0.4982147     4.423854 
1 1 1 -3  -22 27 o 82.816  2.1838  926.523   48.430    937.188   69.378    916.387   67.635    83.275  3.1104  82.356  3.0661  0.9188156      4.367568 
1 1 1 -3  -22 28 o 78.549  2.1645  835.450   45.496    806.617   64.981    863.173   63.720    77.197  3.1427  79.901  2.9774  -2.703667      4.329083 
1 1 1 -3  -22 29 o 23.701  2.5754  79.014    15.633    69.584    22.979    87.139    21.330    22.255  4.0020  25.146  3.2424  -2.891039      5.150707 
1 1 1 -3  -22 30 o 29.945  2.2918  123.892   17.963    113.210   26.026    133.610   24.824    28.638  3.4633  31.251  3.0026  -2.612846      4.583650 
1 1 1 -3  -22 31 o 50.412  2.0481  345.934   27.531    344.185   39.351    347.611   38.530    50.276  2.9350  50.548  2.8575  -0.2720795     4.096274 
1 1 1 -3  -22 32 o 63.214  2.1114  543.309   35.742    547.838   51.143    538.986   49.971    63.464  3.0086  62.964  2.9630  0.5002708      4.222712 
1 1 1 -3  -22 33 f 46.657  2.1642  299.222   26.769    275.221   38.567    321.532   37.184    44.777  3.2375  48.536  2.8730  -3.759277      4.328454 
1 1 1 -3  -22 34 o 35.260  2.3416  171.893   21.827    169.198   31.484    174.386   30.288    34.961  3.4054  35.559  3.2148  -0.5984993     4.683144 
1 1 1 -3  -22 35 o 23.901  3.0024  82.151    18.443    70.709    25.964    93.804    26.203    22.072  4.5432  25.729  3.9265  -3.657103      6.004843 
1 1 1 -3  -22 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -22 37 o 9.8230  2.9654  1.0222    13.798    -2.5220   18.779    5.1807    20.342    9.1699  4.0137  10.476  4.3663  -1.306212      5.930860 
1 1 1 -3  -22 38 o 47.166  2.3560  311.755   29.548    309.250   42.524    314.095   41.087    46.935  3.4058  47.396  3.2562  -0.4606171     4.711936 
1 1 1 -3  -22 39 o 47.964  2.4169  325.209   30.839    326.510   44.151    323.970   43.094    48.031  3.4549  47.897  3.3808  0.1337662      4.833875 
1 1 1 -3  -22 40 o 15.460  3.5802  35.719    17.840    48.207    24.547    21.740    25.971    17.584  4.9838  13.335  5.1413  4.248248       7.160418 
1 1 1 -3  -22 41 o 9.9822  3.0507  0.2156    15.429    10.262    21.001    -11.5643  22.741    10.979  4.4922  8.9850  4.1290  1.994444       6.101495 
1 1 1 -3  -22 42 o 11.007  3.3597  5.0077    17.987    3.2409    24.236    7.1742    26.838    10.593  4.5995  11.422  4.8986  -0.8285818     6.719472 
1 1 1 -3  -22 43 f 19.260  3.8280  63.142    20.712    70.888    29.175    55.272    29.407    20.562  5.2724  17.959  5.5511  2.602644       7.655927 
1 1 1 -3  -22 44 o 17.762  3.8903  54.942    20.483    58.851    28.476    50.752    29.484    18.453  5.4106  17.072  5.5914  1.381485       7.780586 
1 1 1 -3  -22 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -22 46 o 19.508  4.0448  71.098    22.505    70.101    31.621    72.122    32.036    19.378  5.7071  19.638  5.7334  -0.2603397     8.089679 
1 1 1 -3  -22 47 o 14.706  3.9917  40.743    22.041    37.805    30.199    44.092    32.242    14.327  5.5383  15.084  5.7498  -0.7571068     7.983347 
1 1 1 -3  -21 1  o 12.682  2.6970  21.354    10.344    12.337    14.838    29.879    14.427    10.740  3.9393  14.625  3.6846  -3.885333      5.393923 
1 1 1 -3  -21 2  o 154.885 3.1721  3230.28   131.593   3227.28   186.809   3233.24   185.399   154.810 4.5051  154.960 4.4668  -0.1500092     6.344193 
1 1 1 -3  -21 3  o 92.580  2.2790  1150.75   56.507    1174.40   80.383    1127.64   79.451    93.522  3.2090  91.639  3.2369  1.882874       4.557949 
1 1 1 -3  -21 4  o 81.092  2.1305  882.585   46.273    883.976   65.684    881.214   65.198    81.155  3.0218  81.029  3.0040  0.1257935      4.260900 
1 1 1 -3  -21 5  o 171.415 3.4581  3956.84   158.766   3997.32   225.191   3916.82   223.873   172.289 4.8798  170.541 4.9010  1.747757       6.916105 
1 1 1 -3  -21 6  o 81.740  2.1615  896.703   47.323    893.555   67.092    899.819   66.759    81.596  3.0698  81.883  3.0439  -0.2869339     4.323052 
1 1 1 -3  -21 7  o 56.290  1.9484  425.874   29.274    396.247   41.218    456.027   41.583    54.271  2.8454  58.308  2.6625  -4.036106      3.896864 
1 1 1 -3  -21 8  o 279.431 5.3269  10588.76  398.544   10929.95  564.240   10249.06  563.014   283.975 7.4181  274.886 7.6468  9.089752       10.65372 
1 1 1 -3  -21 9  o 230.298 4.4709  7164.77   275.788   7168.90   390.076   7160.63   389.969   230.365 6.3219  230.231 6.3238  0.1334839      8.941821 
1 1 1 -3  -21 10 o 126.549 2.6961  2151.77   91.375    2186.70   129.078   2116.68   129.369   127.582 3.7772  125.516 3.8481  2.066650       5.392125 
1 1 1 -3  -21 11 o 89.604  2.2031  1077.45   52.871    1067.82   74.305    1087.33   75.247    89.199  3.1101  90.009  3.1211  -0.8104095     4.406124 
1 1 1 -3  -21 12 o 85.617  2.1468  983.943   49.219    996.662   69.098    970.844   70.125    86.181  2.9934  85.053  3.0782  1.128441       4.293693 
1 1 1 -3  -21 13 o 36.672  2.0067  182.369   19.456    195.359   26.925    168.175   28.146    38.070  2.6571  35.273  3.0078  2.797604       4.013412 
1 1 1 -3  -21 14 o 122.765 2.6273  2025.60   86.361    2077.14   121.686   1973.30   122.583   124.346 3.6536  121.185 3.7765  3.160767       5.254619 
1 1 1 -3  -21 15 o 208.582 4.0662  5873.72   227.120   6009.92   320.943   5737.08   321.450   211.025 5.6781  206.139 5.8219  4.886353       8.132377 
1 1 1 -3  -21 16 o 64.424  1.9480  556.510   33.598    532.548   46.886    581.803   48.170    62.999  2.7786  65.850  2.7311  -2.851097      3.896062 
1 1 1 -3  -21 17 f 87.778  2.1637  1034.25   50.859    1001.96   71.466    1067.40   72.395    86.388  3.0886  89.169  3.0311  -2.780426      4.327479 
1 1 1 -3  -21 18 o 82.139  2.0743  906.092   45.616    928.142   64.161    883.555   64.868    83.153  2.8807  81.124  2.9853  2.028755       4.148567 
1 1 1 -3  -21 19 o 95.582  2.2951  1227.31   58.757    1216.84   82.877    1237.90   83.316    95.171  3.2511  95.992  3.2404  -0.8209152     4.590241 
1 1 1 -3  -21 20 o 86.947  2.1686  1015.54   50.503    1022.57   71.441    1008.51   71.404    87.249  3.0570  86.646  3.0767  0.6033325      4.337215 
1 1 1 -3  -21 21 o 32.661  2.1391  144.441   18.449    158.519   26.509    131.220   25.690    34.229  2.9194  31.092  3.1272  3.136297       4.278121 
1 1 1 -3  -21 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -21 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -21 24 o 150.792 3.1654  3075.36   127.848   3100.40   181.452   3050.68   180.162   151.402 4.4745  150.182 4.4788  1.220154       6.330884 
1 1 1 -3  -21 25 o 71.865  2.0422  694.429   39.290    708.951   56.693    681.009   54.500    72.584  2.9161  71.145  2.8600  1.438278       4.084476 
1 1 1 -3  -21 26 o 32.598  2.1681  144.148   18.679    149.034   27.344    139.873   25.576    33.111  3.1201  32.085  3.0114  1.026073       4.336260 
1 1 1 -3  -21 27 o 74.921  2.1005  755.872   42.127    788.293   60.718    725.778   58.498    76.469  2.9644  73.373  2.9766  3.096741       4.200949 
1 1 1 -3  -21 28 o 122.712 2.7428  2043.77   90.124    2004.92   128.146   2081.79   126.774   121.534 3.9366  123.890 3.8204  -2.355927      5.485599 
1 1 1 -3  -21 29 o 31.572  2.2185  136.016   18.370    157.561   26.562    116.267   25.431    34.026  2.9435  29.119  3.3200  4.907038       4.436991 
1 1 1 -3  -21 30 o 53.775  2.0551  392.404   29.473    387.177   42.243    397.361   41.140    53.411  2.9645  54.139  2.8471  -0.7275543     4.110215 
1 1 1 -3  -21 31 o 39.406  2.1446  213.188   22.288    189.809   32.118    234.903   30.954    37.244  3.2523  41.569  2.7963  -4.325211      4.289156 
1 1 1 -3  -21 32 o 70.501  2.1761  675.402   41.088    674.659   58.552    676.122   57.671    70.454  3.1027  70.547  3.0520  -0.9307861E-01 4.352224 
1 1 1 -3  -21 33 o 12.990  3.1713  17.149    14.929    36.657    21.312    -1.6485   20.920    16.064  4.6723  9.9159  4.2893  6.148293       6.342620 
1 1 1 -3  -21 34 o 42.569  2.1781  248.413   24.652    244.454   35.283    252.189   34.457    42.216  3.1428  42.922  3.0164  -0.7056198     4.356113 
1 1 1 -3  -21 35 o 21.347  3.0140  65.530    16.624    73.458    23.637    57.770    23.385    22.720  4.0319  19.975  4.4812  2.744669       6.028062 
1 1 1 -3  -21 36 o 16.506  3.5297  38.551    17.161    49.162    25.104    29.241    23.513    18.296  4.9864  14.717  4.9970  3.579432       7.059357 
1 1 1 -3  -21 37 f 44.284  3.8113  293.392   41.691    310.692   52.466    263.751   68.676    46.826  4.2287  41.742  6.3421  5.084690       7.622581 
1 1 1 -3  -21 38 o 32.942  2.5778  153.501   22.326    145.912   31.765    160.910   31.385    32.070  3.7699  33.814  3.5167  -1.744251      5.155532 
1 1 1 -3  -21 39 o 21.675  3.3776  71.280    19.294    51.218    27.114    91.859    27.462    18.304  5.2547  25.047  4.2450  -6.742922      6.755162 
1 1 1 -3  -21 40 o 32.726  2.8111  155.898   24.040    166.645   33.674    144.730   34.330    34.023  3.7579  31.429  4.1819  2.594376       5.622235 
1 1 1 -3  -21 41 o 7.8585  2.5819  -27.2278  13.928    -51.6719  18.769    2.7291    20.778    5.6712  2.8449  10.046  4.3094  -4.374678      5.163753 
1 1 1 -3  -21 42 o 12.228  2.9868  8.0327    16.222    44.765    21.919    -36.4522  24.122    16.844  4.6869  7.6113  3.7036  9.232672       5.973637 
1 1 1 -3  -21 43 f 18.614  3.5767  57.243    20.564    88.678    28.644    23.810    29.541    23.667  4.6845  13.561  5.4062  10.10517       7.153400 
1 1 1 -3  -21 44 o 14.260  3.6849  29.167    19.226    13.057    26.444    47.229    28.001    11.854  4.9628  16.665  5.4484  -4.811023      7.369830 
1 1 1 -3  -21 45 o 36.969  3.0293  215.034   28.736    250.737   39.996    176.941   41.313    40.844  3.6960  33.095  4.8007  7.749584       6.058609 
1 1 1 -3  -21 46 o 20.107  3.2982  63.690    22.858    -2.2335   31.448    137.527   33.282    10.874  4.9429  29.341  4.3680  -18.46759      6.596341 
1 1 1 -3  -21 47 o 9.3834  3.0856  -15.9761  19.744    5.3639    26.794    -41.3352  29.208    10.687  4.7315  8.0796  3.9620  2.607756       6.171254 
1 1 1 -3  -21 48 o 18.572  4.1990  72.714    23.607    73.628    32.909    71.744    33.884    18.794  5.8828  18.350  5.9932  0.4436359      8.397962 
1 1 1 -3  -20 1  o 116.527 2.6231  1824.01   81.866    1816.52   116.355   1831.35   115.204   116.287 3.7356  116.766 3.6835  -0.4786911     5.246265 
1 1 1 -3  -20 2  o 92.428  2.2884  1146.65   56.649    1141.56   80.455    1151.65   79.776    92.224  3.2570  92.633  3.2153  -0.4093018     4.576702 
1 1 1 -3  -20 3  o 102.708 2.4023  1416.08   66.083    1411.27   93.930    1420.79   92.988    102.534 3.4202  102.882 3.3744  -0.3483963     4.804589 
1 1 1 -3  -20 4  o 240.705 4.6126  7823.88   297.365   7947.69   421.322   7701.00   419.758   242.614 6.4835  238.795 6.5627  3.818863       9.225253 
1 1 1 -3  -20 5  o 100.953 2.3718  1367.76   64.129    1387.93   91.019    1347.87   90.370    101.693 3.3416  100.213 3.3667  1.479919       4.743536 
1 1 1 -3  -20 6  o 58.832  1.9071  464.175   30.051    458.000   42.408    470.402   42.589    58.439  2.7093  59.225  2.6847  -0.7866554     3.814211 
1 1 1 -3  -20 7  o 128.569 2.7509  2220.12   94.727    2252.34   134.134   2188.07   133.794   129.502 3.8670  127.636 3.9136  1.865265       5.501791 
1 1 1 -3  -20 8  o 158.734 3.2487  3387.86   138.124   3380.81   195.329   3394.90   195.345   158.568 4.5990  158.900 4.5898  -0.3312836     6.497420 
1 1 1 -3  -20 9  o 99.866  2.3274  1338.35   62.253    1322.50   87.769    1354.41   88.311    99.270  3.3009  100.462 3.2819  -1.191681      4.654752 
1 1 1 -3  -20 10 o 84.210  2.1331  951.746   48.092    970.984   67.481    931.888   68.557    85.077  2.9613  83.342  3.0712  1.735634       4.266279 
1 1 1 -3  -20 11 o 128.484 2.7287  2217.09   93.903    2201.80   132.327   2232.60   133.275   128.038 3.8585  128.930 3.8593  -0.8923950     5.457311 
1 1 1 -3  -20 12 o 130.046 2.7478  2271.98   95.697    2308.21   134.872   2235.25   135.805   131.095 3.8410  128.997 3.9305  2.097427       5.495641 
1 1 1 -3  -20 13 o 62.500  1.9194  523.873   32.118    522.693   44.746    525.127   46.129    62.429  2.6760  62.572  2.7524  -0.1426697     3.838799 
1 1 1 -3  -20 14 o 334.414 6.3177  15219.48  565.803   15523.14  800.068   14915.67  800.264   337.806 8.8424  331.022 9.0258  6.783173       12.63542 
1 1 1 -3  -20 15 o 133.866 2.8181  2408.08   100.997   2313.30   142.327   2504.21   143.341   131.206 4.0499  136.527 3.9198  -5.321060      5.636178 
1 1 1 -3  -20 16 o 301.191 5.7425  12319.32  463.267   12332.58  654.799   12306.04  655.518   301.357 8.1122  301.024 8.1301  0.3335876      11.48501 
1 1 1 -3  -20 17 o 165.877 3.3382  3703.11   148.301   3629.09   209.285   3777.75   210.176   164.206 4.7584  167.548 4.6833  -3.342346      6.676499 
1 1 1 -3  -20 18 o 73.751  2.0134  729.770   39.772    727.133   55.971    732.458   56.526    73.616  2.8386  73.885  2.8563  -0.2682114     4.026900 
1 1 1 -3  -20 19 o 56.936  1.8985  435.085   28.929    456.937   41.003    413.425   40.821    58.363  2.6229  55.510  2.7455  2.852760       3.797055 
1 1 1 -3  -20 20 o 114.427 2.5402  1759.42   77.854    1767.76   110.284   1751.13   109.922   114.698 3.5898  114.157 3.5950  0.5412827      5.080372 
1 1 1 -3  -20 21 o 79.539  2.1146  849.643   45.037    835.556   64.134    863.347   63.258    78.885  3.0353  80.192  2.9450  -1.307213      4.229239 
1 1 1 -3  -20 22 o 49.167  1.9227  325.097   25.207    338.999   36.364    312.238   34.972    50.181  2.7156  48.153  2.7226  2.028053       3.845405 
1 1 1 -3  -20 23 o 63.649  1.9700  543.725   33.571    554.023   48.307    534.106   46.689    64.230  2.8079  63.068  2.7639  1.162399       3.939955 
1 1 1 -3  -20 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -20 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -20 26 o 107.035 2.4781  1543.36   71.030    1583.00   101.707   1505.63   99.241    108.376 3.5037  105.693 3.5055  2.682037       4.956298 
1 1 1 -3  -20 27 o 82.618  2.1899  918.861   48.445    949.482   69.438    889.821   67.620    83.959  3.0877  81.276  3.1062  2.683395       4.379766 
1 1 1 -3  -20 28 o 99.711  2.4100  1342.52   64.351    1338.19   91.858    1346.69   90.178    99.544  3.4452  99.877  3.3709  -0.3334503     4.819971 
1 1 1 -3  -20 29 o 74.120  2.1596  742.121   42.835    720.589   61.307    762.657   59.873    73.054  3.1332  75.186  2.9731  -2.132660      4.319230 
1 1 1 -3  -20 30 o 32.999  2.1983  148.292   19.150    162.716   27.620    134.937   26.576    34.574  3.0126  31.425  3.2021  3.148790       4.396509 
1 1 1 -3  -20 31 o 22.702  2.9153  73.033    16.986    63.090    24.449    82.311    23.617    21.080  4.4688  24.324  3.7451  -3.244017      5.830619 
1 1 1 -3  -20 32 o 40.526  2.1827  225.122   23.375    202.361   33.475    246.782   32.655    38.458  3.2811  42.593  2.8793  -4.135727      4.365333 
1 1 1 -3  -20 33 o 28.627  2.4476  113.490   18.350    108.927   26.331    117.798   25.587    28.025  3.5902  29.229  3.3276  -1.203114      4.895136 
1 1 1 -3  -20 34 o 19.240  3.1293  53.830    16.198    33.914    22.939    73.639    22.877    15.621  4.9150  22.860  3.8746  -7.238784      6.258557 
1 1 1 -3  -20 35 o 34.101  2.3646  160.840   21.272    152.402   30.434    168.901   29.745    33.176  3.4765  35.025  3.2062  -1.849220      4.729237 
1 1 1 -3  -20 36 o 65.772  2.2592  593.802   39.618    645.584   56.271    542.908   55.787    68.722  3.0571  62.822  3.3272  5.899738       4.518414 
1 1 1 -3  -20 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -20 38 o 48.886  2.3497  331.993   30.572    321.028   43.169    343.025   43.301    48.045  3.3760  49.727  3.2692  -1.682152      4.699478 
1 1 1 -3  -20 39 o 45.564  2.3883  291.982   28.603    341.111   40.639    243.754   40.265    49.566  3.0763  41.562  3.6540  8.003674       4.776557 
1 1 1 -3  -20 40 o 56.165  2.3860  443.772   35.726    446.367   50.312    441.133   50.739    56.351  3.3483  55.978  3.4001  0.3730659      4.772045 
1 1 1 -3  -20 41 o 33.432  2.7041  161.984   23.774    165.533   33.760    158.491   33.485    33.819  3.7923  33.044  3.8557  0.7749748      5.408143 
1 1 1 -3  -20 42 o 13.580  3.5371  25.407    16.979    22.488    23.874    28.395    24.154    13.116  4.9601  14.043  5.0441  -0.9277153     7.074252 
1 1 1 -3  -20 43 o 39.448  2.6731  229.877   27.893    228.321   39.050    231.498   39.856    39.338  3.7517  39.558  3.8087  -0.2198524     5.346153 
1 1 1 -3  -20 44 o 32.775  3.0203  166.371   25.402    192.558   35.549    139.046   36.312    35.927  3.7494  29.623  4.7361  6.304783       6.040561 
1 1 1 -3  -20 45 o 30.523  3.3761  150.265   26.501    163.882   36.872    135.714   38.115    32.385  4.3617  28.662  5.1543  3.722710       6.752143 
1 1 1 -3  -20 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -20 47 o 12.731  3.6849  16.935    21.378    -5.6539   29.591    41.598    30.919    10.258  4.7124  15.205  5.6664  -4.947022      7.369879 
1 1 1 -3  -20 48 o 15.797  2.9872  49.079    17.264    -10.3778  31.906    73.695    20.530    10.024  4.7018  21.569  3.6859  -11.54493      5.974399 
1 1 1 -3  -19 1  o 96.107  2.3306  1239.40   59.948    1305.15   85.372    1175.44   84.198    98.625  3.2318  93.588  3.3589  5.036415       4.661144 
1 1 1 -3  -19 2  o 161.302 3.2821  3497.80   141.786   3568.50   201.283   3428.16   199.758   162.924 4.6125  159.680 4.6705  3.243561       6.564174 
1 1 1 -3  -19 3  o 151.067 3.1196  3066.85   126.225   3076.06   179.094   3057.76   177.930   151.291 4.4195  150.843 4.4039  0.4486694      6.239115 
1 1 1 -3  -19 4  o 376.301 7.0220  19295.58  707.754   19300.82  1001.61   19290.36  1000.22   376.348 9.9362  376.253 9.9249  0.9460449E-01  14.04394 
1 1 1 -3  -19 5  o 251.543 4.8357  8544.09   325.808   8570.15   461.235   8518.13   460.290   251.927 6.8353  251.159 6.8422  0.7677917      9.671445 
1 1 1 -3  -19 6  o 108.639 2.4429  1584.13   71.061    1638.37   100.778   1530.50   100.215   110.492 3.4052  106.786 3.5037  3.705856       4.885880 
1 1 1 -3  -19 7  o 214.926 4.1424  6224.57   238.434   6354.66   337.509   6094.96   336.886   217.181 5.8020  212.672 5.9140  4.508713       8.284832 
1 1 1 -3  -19 8  o 121.757 2.6370  1990.30   85.998    1980.64   121.507   2000.00   121.731   121.460 3.7349  122.053 3.7236  -0.5931702     5.273968 
1 1 1 -3  -19 9  o 185.510 3.6454  4631.05   181.124   4688.27   256.036   4573.72   256.259   186.663 5.1210  184.357 5.1896  2.306046       7.290826 
1 1 1 -3  -19 10 o 128.225 2.7420  2207.83   94.170    2174.16   132.766   2241.93   133.589   127.239 3.8956  129.210 3.8600  -1.971062      5.484099 
1 1 1 -3  -19 11 o 156.377 3.1592  3286.89   132.302   3206.08   186.553   3368.66   187.659   154.438 4.5098  158.316 4.4254  -3.878220      6.318476 
1 1 1 -3  -19 12 f 204.890 3.9978  5655.56   219.361   5532.02   309.711   5779.93   310.738   202.633 5.7063  207.146 5.6005  -4.513306      7.995500 
1 1 1 -3  -19 13 o 90.128  2.1642  1089.63   52.242    1077.09   73.327    1102.55   74.449    89.602  3.0553  90.654  3.0661  -1.052177      4.328492 
1 1 1 -3  -19 14 o 38.424  1.8634  199.311   19.020    208.550   26.508    189.506   27.308    39.357  2.5279  37.490  2.7384  1.866383       3.726829 
1 1 1 -3  -19 15 f 165.180 3.3135  3669.51   146.601   3660.04   206.980   3679.05   207.672   164.966 4.6843  165.393 4.6878  -0.4273834     6.627090 
1 1 1 -3  -19 16 o 123.841 2.6533  2059.93   88.001    2092.39   124.160   2027.15   124.746   124.826 3.7135  122.857 3.7909  1.968437       5.306689 
1 1 1 -3  -19 17 o 125.507 2.6751  2115.59   89.925    2090.14   126.880   2141.28   127.469   124.747 3.7973  126.266 3.7690  -1.519684      5.350225 
1 1 1 -3  -19 18 o 69.801  1.9602  653.521   36.646    645.044   51.666    662.104   51.987    69.345  2.7816  70.257  2.7626  -0.9117889     3.920368 
1 1 1 -3  -19 19 o 63.994  1.9119  549.371   32.766    540.348   46.417    558.333   46.261    63.469  2.7304  64.518  2.6769  -1.049557      3.823758 
1 1 1 -3  -19 20 f 66.122  1.9679  586.981   34.826    563.895   49.471    609.661   49.033    64.830  2.8490  67.415  2.7155  -2.585121      3.935798 
1 1 1 -3  -19 21 o 122.744 2.6623  2024.69   87.521    2010.77   124.232   2038.40   123.320   122.323 3.7917  123.166 3.7381  -0.8434219     5.324537 
1 1 1 -3  -19 22 o 205.609 4.0313  5709.14   222.009   5702.94   314.685   5715.28   313.256   205.493 5.7173  205.725 5.6849  -0.2319336     8.062612 
1 1 1 -3  -19 23 o 164.926 3.3320  3665.47   147.161   3771.02   209.108   3561.90   207.139   167.288 4.6668  162.563 4.7572  4.724106       6.664064 
1 1 1 -3  -19 24 o 62.720  1.9926  528.808   33.420    515.016   48.288    541.487   46.299    61.929  2.9111  63.512  2.7216  -1.582375      3.985197 
1 1 1 -3  -19 25 o 99.807  2.3597  1339.42   63.066    1343.68   90.325    1335.38   88.095    99.958  3.3737  99.657  3.3003  0.3001556      4.719492 
1 1 1 -3  -19 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -19 27 o 221.103 4.3849  6671.45   259.670   6623.95   367.973   6718.56   366.489   220.296 6.2362  221.910 6.1659  -1.614578      8.769735 
1 1 1 -3  -19 28 o 53.693  2.0614  388.400   29.505    410.824   42.754    368.007   40.771    55.176  2.9032  52.210  2.9273  2.966045       4.122758 
1 1 1 -3  -19 29 o 89.803  2.3305  1088.94   56.012    1048.62   79.696    1128.31   78.738    88.142  3.3757  91.463  3.2140  -3.320877      4.661064 
1 1 1 -3  -19 30 o 64.903  2.1083  568.721   36.622    552.873   52.362    583.895   51.238    64.006  3.0543  65.801  2.9072  -1.794777      4.216691 
1 1 1 -3  -19 31 o 114.970 2.6704  1795.21   82.233    1801.87   116.643   1788.64   115.949   115.180 3.7809  114.760 3.7721  0.4197922      5.340770 
1 1 1 -3  -19 32 f 19.119  2.8269  52.631    14.828    88.719    21.357    19.051    20.602    25.390  3.2124  12.849  4.6526  12.54111       5.653831 
1 1 1 -3  -19 33 o 27.587  2.5101  105.415   17.992    119.716   25.772    91.817    25.130    29.497  3.3196  25.677  3.7659  3.819414       5.020131 
1 1 1 -3  -19 34 o 55.061  2.1597  413.532   31.703    402.760   45.286    423.885   44.397    54.333  3.1250  55.789  2.9819  -1.456581      4.319385 
1 1 1 -3  -19 35 o 55.526  2.1741  421.233   32.180    442.311   45.660    400.429   45.362    56.935  3.0047  54.117  3.1430  2.817627       4.348209 
1 1 1 -3  -19 36 o 44.551  2.2350  272.862   26.450    258.598   37.719    286.662   37.101    43.360  3.2718  45.743  3.0456  -2.382442      4.469946 
1 1 1 -3  -19 37 o 33.831  2.4263  159.077   21.638    148.650   30.583    169.528   30.618    32.667  3.5525  34.995  3.3056  -2.328228      4.852602 
1 1 1 -3  -19 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -19 39 o 15.461  3.4443  33.976    16.544    45.885    23.031    21.279    23.781    17.579  4.7698  13.342  4.9700  4.237044       6.888502 
1 1 1 -3  -19 40 o 29.076  2.9666  123.317   21.987    96.641    30.715    151.350   31.487    25.524  4.6646  32.628  3.6665  -7.103310      5.933103 
1 1 1 -3  -19 41 o 33.325  2.7417  160.373   24.003    154.639   33.773    166.226   34.121    32.680  3.9376  33.970  3.8162  -1.289787      5.483420 
1 1 1 -3  -19 42 o 22.784  3.3192  79.692    19.592    68.498    27.287    91.603    28.147    20.940  4.9443  24.628  4.4297  -3.688801      6.638406 
1 1 1 -3  -19 43 o 25.639  3.3720  102.954   22.247    113.054   31.176    92.474    31.756    27.197  4.4324  24.082  5.0828  3.114647       6.743989 
1 1 1 -3  -19 44 o 18.938  3.5653  60.394    21.404    95.418    29.102    19.128    31.590    24.657  4.5749  13.219  5.4696  11.43836       7.130679 
1 1 1 -3  -19 45 o 12.049  3.2839  4.3782    18.060    -29.0933  24.638    43.252    26.552    8.0317  3.8676  16.067  5.3082  -8.035189      6.567741 
1 1 1 -3  -19 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -19 47 o 10.279  3.1028  2.7132    13.673    22.690    26.303    -4.6834   16.005    12.719  5.0908  7.8387  3.5486  4.880056       6.205542 
1 1 1 -3  -19 48 o 19.624  3.5435  66.388    17.803    75.337    31.549    62.207    21.565    19.866  5.6568  19.382  4.2693  0.4843197      7.086997 
1 1 1 -3  -19 49 o 11.508  3.2584  20.369    15.799    5.0436    28.290    27.315    19.045    10.470  4.7309  12.546  4.4818  -2.075590      6.516768 
1 1 1 -3  -18 1  o 110.571 2.4950  1640.68   73.873    1694.75   105.071   1587.82   103.884   112.375 3.4908  108.767 3.5659  3.607887       4.990101 
1 1 1 -3  -18 2  o 55.846  1.8648  418.090   27.891    423.919   39.801    412.466   39.095    56.228  2.6427  55.464  2.6316  0.7645187      3.729551 
1 1 1 -3  -18 3  o 153.999 3.1680  3186.80   130.655   3262.41   185.384   3112.18   184.169   155.819 4.4419  152.180 4.5183  3.638779       6.335986 
1 1 1 -3  -18 4  o 94.025  2.2596  1186.02   56.905    1183.73   80.765    1188.27   80.190    93.934  3.2100  94.115  3.1811  -0.1810837     4.519237 
1 1 1 -3  -18 5  o 164.632 3.3307  3645.25   146.704   3858.64   207.980   3433.94   206.966   169.447 4.5825  159.818 4.8349  9.628342       6.661450 
1 1 1 -3  -18 6  o 162.467 3.2761  3547.59   142.555   3605.39   201.858   3490.08   201.348   163.791 4.6012  161.143 4.6650  2.648224       6.552289 
1 1 1 -3  -18 7  o 278.712 5.2796  10498.87  394.125   10578.63  557.488   10419.17  557.266   279.780 7.4393  277.645 7.4935  2.135010       10.55912 
1 1 1 -3  -18 8  o 194.202 3.7824  5074.88   196.738   5135.73   278.183   5013.99   278.276   195.372 5.3159  193.032 5.3822  2.340729       7.564849 
1 1 1 -3  -18 9  o 128.079 2.7220  2202.41   93.378    2218.54   131.767   2186.14   132.347   128.552 3.8268  127.606 3.8722  0.9459152      5.444093 
1 1 1 -3  -18 10 f 98.428  2.2490  1299.69   59.288    1302.17   83.367    1297.16   84.334    98.524  3.1591  98.332  3.2020  0.1922684      4.498063 
1 1 1 -3  -18 11 o 118.808 2.5567  1894.45   81.358    1875.91   114.601   1913.30   115.521   118.221 3.6191  119.394 3.6123  -1.172874      5.113413 
1 1 1 -3  -18 12 o 276.039 5.2431  10300.98  387.657   10319.37  547.894   10282.54  548.566   276.290 7.4036  275.789 7.4261  0.5012817      10.48621 
1 1 1 -3  -18 13 o 142.909 2.9317  2743.44   112.194   2665.72   158.215   2822.06   159.121   140.868 4.1932  144.950 4.0985  -4.081848      5.863495 
1 1 1 -3  -18 14 o 174.344 3.4307  4087.90   160.203   4107.61   226.275   4068.09   226.849   174.768 4.8338  173.919 4.8697  0.8481903      6.861427 
1 1 1 -3  -18 15 o 79.649  2.0338  850.905   43.388    852.251   61.150    849.541   61.573    79.713  2.8640  79.585  2.8885  0.1278381      4.067688 
1 1 1 -3  -18 16 o 133.736 2.7582  2402.10   98.800    2398.76   139.545   2405.46   139.903   133.643 3.8983  133.829 3.9029  -0.1861267     5.516315 
1 1 1 -3  -18 17 f 116.946 2.5209  1836.08   78.965    1832.54   111.598   1839.63   111.749   116.833 3.5662  117.059 3.5641  -0.2259140     5.041842 
1 1 1 -3  -18 18 o 144.540 2.9581  2807.56   114.521   2815.65   162.075   2799.49   161.841   144.748 4.1804  144.331 4.1864  0.4167786      5.916190 
1 1 1 -3  -18 19 o 55.037  1.8986  408.024   27.830    371.396   39.577    443.852   39.143    52.543  2.8225  57.532  2.5401  -4.988407      3.797172 
1 1 1 -3  -18 20 o 101.939 2.3506  1394.78   64.143    1460.61   91.321    1330.67   90.114    104.317 3.2683  99.561  3.3792  4.756187       4.701145 
1 1 1 -3  -18 21 o 88.958  2.2219  1062.08   52.929    1061.77   75.691    1062.38   74.043    88.943  3.1772  88.973  3.1070  -0.2996826E-01 4.443849 
1 1 1 -3  -18 22 o 151.530 3.1341  3088.67   127.200   3108.46   180.802   3069.26   178.988   152.009 4.4406  151.050 4.4240  0.9590302      6.268232 
1 1 1 -3  -18 23 f 42.365  1.9860  241.738   22.348    243.768   32.898    239.998   30.452    42.521  2.9059  42.208  2.7079  0.3128586      3.972064 
1 1 1 -3  -18 24 o 91.681  2.2802  1129.76   55.938    1102.66   80.298    1155.31   77.971    90.605  3.3087  92.757  3.1383  -2.151207      4.560336 
1 1 1 -3  -18 25 o 73.237  2.1150  720.351   41.461    717.824   59.663    722.712   57.657    73.109  3.0468  73.365  2.9341  -0.2559280     4.229904 
1 1 1 -3  -18 26 o 156.425 3.2647  3301.82   136.762   3260.24   194.299   3342.65   192.534   155.436 4.6669  157.414 4.5664  -1.977600      6.529336 
1 1 1 -3  -18 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -18 28 o 66.553  3.1175  597.694   55.047    533.060   74.883    673.683   81.196    62.628  4.4939  70.478  4.3221  -7.850010      6.234998 
1 1 1 -3  -18 29 o 106.508 2.5282  1530.52   72.116    1521.46   102.605   1539.38   101.381   106.190 3.6074  106.827 3.5431  -0.6375427     5.056388 
1 1 1 -3  -18 30 o 22.680  2.8782  72.836    16.673    59.345    24.189    85.046    23.013    20.515  4.5237  24.846  3.5598  -4.330614      5.756406 
1 1 1 -3  -18 31 o 42.107  2.1071  240.161   23.597    251.171   33.915    229.830   32.853    43.049  2.9593  41.164  3.0003  1.885262       4.214155 
1 1 1 -3  -18 32 o 67.139  2.1542  609.439   38.734    606.032   55.095    612.768   54.467    66.948  3.0725  67.330  3.0202  -0.3818741     4.308352 
1 1 1 -3  -18 33 o 71.993  2.2233  702.977   42.837    672.525   60.720    733.150   60.441    70.419  3.2193  73.567  3.0674  -3.147949      4.446614 
1 1 1 -3  -18 34 o 60.283  2.1413  493.801   34.502    508.805   48.877    478.900   48.709    61.247  2.9794  59.319  3.0762  1.927837       4.282549 
1 1 1 -3  -18 35 o 63.737  2.1978  553.916   37.407    582.377   52.801    525.234   53.004    65.453  3.0118  62.022  3.2016  3.431709       4.395525 
1 1 1 -3  -18 36 o 28.052  2.6068  110.314   18.943    124.147   26.666    96.220    26.915    29.950  3.3834  26.154  3.9666  3.796015       5.213597 
1 1 1 -3  -18 37 o 72.479  2.3276  720.014   45.170    736.448   63.571    703.257   64.193    73.342  3.2361  71.616  3.3465  1.726021       4.655238 
1 1 1 -3  -18 38 o 10.276  3.0825  0.9248    14.819    -5.1361   20.018    8.2740    22.043    9.2445  4.0913  11.308  4.6116  -2.063358      6.164911 
1 1 1 -3  -18 39 o 26.395  3.0500  100.761   20.733    110.697   29.170    90.616    29.475    27.857  4.0263  24.934  4.5823  2.922741       6.099913 
1 1 1 -3  -18 40 o 13.695  3.4552  23.854    16.226    16.423    22.506    31.897    23.414    12.401  4.7847  14.989  4.9862  -2.587966      6.910497 
1 1 1 -3  -18 41 o 15.169  3.5701  33.261    17.272    40.846    23.890    24.955    25.000    16.464  4.9873  13.873  5.1097  2.590271       7.140182 
1 1 1 -3  -18 42 o 26.982  3.0859  109.273   21.363    120.413   29.549    97.074    30.921    28.700  3.9484  25.264  4.7435  3.435818       6.171799 
1 1 1 -3  -18 43 o 11.634  3.0859  0.4525    16.007    -30.3062  21.378    39.706    24.150    7.3437  3.5526  15.924  5.0468  -8.580807      6.171833 
1 1 1 -3  -18 44 o 29.435  3.3660  138.909   24.842    165.994   33.861    107.337   36.559    33.396  3.8563  25.473  5.5180  7.923874       6.731924 
1 1 1 -3  -18 45 o 12.368  3.0174  22.537    13.476    1.3117    23.287    33.223    16.524    10.142  4.4536  14.594  4.0724  -4.452210      6.034840 
1 1 1 -3  -18 46 o 23.680  3.0722  77.885    17.978    136.891   31.788    50.137    21.799    29.809  4.0891  17.552  4.5861  12.25695       6.144413 
1 1 1 -3  -18 47 o 10.946  3.2298  11.380    14.870    12.519    26.737    10.870    17.893    11.638  4.9372  10.254  4.1652  1.384312       6.459525 
1 1 1 -3  -18 48 o 10.053  3.0711  6.0905    13.766    11.506    26.003    3.9818    16.226    11.233  4.8199  8.8722  3.8071  2.360935       6.142114 
1 1 1 -3  -18 49 o 12.719  3.2471  28.272    15.945    1.5941    29.375    39.415    18.985    10.431  4.7554  15.007  4.4228  -4.575968      6.494231 
1 1 1 -3  -17 1  o 48.269  1.8043  313.222   23.240    313.449   33.207    313.003   32.536    48.285  2.5769  48.254  2.5261  0.3075027E-01  3.608568 
1 1 1 -3  -17 2  o 107.466 2.4356  1549.38   70.100    1580.70   99.635    1518.69   98.644    108.542 3.4271  106.390 3.4617  2.152328       4.871134 
1 1 1 -3  -17 3  o 280.020 5.3019  10592.03  397.591   10835.53  563.063   10349.89  561.496   283.254 7.4215  276.786 7.5738  6.468201       10.60382 
1 1 1 -3  -17 4  o 287.688 5.4260  11184.58  417.921   11591.61  591.835   10779.76  590.227   292.952 7.5425  282.424 7.8024  10.52881       10.85204 
1 1 1 -3  -17 5  o 219.344 4.2416  6477.68   249.190   6545.79   352.697   6409.79   352.120   220.501 5.9718  218.188 6.0252  2.312927       8.483222 
1 1 1 -3  -17 6  o 158.803 3.1804  3387.40   135.274   3417.47   191.374   3357.38   191.238   159.509 4.4793  158.097 4.5161  1.412262       6.360731 
1 1 1 -3  -17 7  o 267.597 5.0456  9661.11   361.647   9626.27   511.352   9695.97   511.540   267.111 7.1473  268.082 7.1240  -0.9716797     10.09129 
1 1 1 -3  -17 8  o 206.452 4.0026  5734.86   221.328   5770.46   312.805   5699.17   313.207   207.097 5.6391  205.807 5.6818  1.290390       8.005117 
1 1 1 -3  -17 9  o 207.676 3.9855  5802.94   221.694   5819.76   313.262   5786.07   313.785   207.980 5.6234  207.373 5.6493  0.6073761      7.970974 
1 1 1 -3  -17 10 o 55.488  1.7478  412.888   25.964    422.047   36.469    403.473   36.975    56.113  2.4264  54.862  2.5162  1.250427       3.495536 
1 1 1 -3  -17 11 f 152.225 3.0679  3112.28   125.082   3136.80   176.555   3087.57   177.232   152.830 4.3130  151.621 4.3641  1.208969       6.135771 
1 1 1 -3  -17 12 o 148.798 2.9996  2973.35   119.540   2926.89   168.679   3020.23   169.435   147.628 4.2658  149.968 4.2181  -2.340240      5.999112 
1 1 1 -3  -17 13 o 223.063 4.2850  6702.17   256.011   6645.27   361.728   6759.27   362.382   222.110 6.0803  224.015 6.0395  -1.905701      8.570036 
1 1 1 -3  -17 14 o 65.065  1.8389  567.472   32.045    558.693   44.931    576.559   45.716    64.553  2.5986  65.577  2.6027  -1.023888      3.677886 
1 1 1 -3  -17 15 o 88.182  2.0961  1042.97   49.506    1046.91   69.769    1038.98   70.259    88.350  2.9483  88.014  2.9803  0.3364639      4.192183 
1 1 1 -3  -17 16 o 65.654  1.8606  578.036   32.714    589.490   46.228    566.544   46.301    66.306  2.6029  65.001  2.6594  1.304970       3.721246 
1 1 1 -3  -17 17 f 148.949 3.0166  2980.95   120.347   3009.21   170.386   2952.81   170.007   149.655 4.2506  148.242 4.2816  1.412674       6.033232 
1 1 1 -3  -17 18 o 77.064  2.0156  796.436   41.594    821.381   59.206    772.128   58.446    78.256  2.8246  75.872  2.8760  2.384598       4.031108 
1 1 1 -3  -17 19 o 80.489  2.0697  869.361   44.603    854.369   63.603    883.869   62.567    79.803  2.9755  81.174  2.8776  -1.370552      4.139403 
1 1 1 -3  -17 20 o 48.248  1.8585  312.942   23.916    318.373   34.457    307.892   33.222    48.651  2.6542  47.845  2.6022  0.8057823      3.717012 
1 1 1 -3  -17 21 o 85.406  2.1551  978.572   49.289    985.361   70.575    972.107   68.867    85.693  3.0748  85.118  3.0207  0.5754166      4.310297 
1 1 1 -3  -17 22 o 106.222 2.4207  1514.14   68.825    1595.74   98.416    1436.02   96.285    109.026 3.3701  103.418 3.4760  5.608063       4.841496 
1 1 1 -3  -17 23 o 44.108  2.0709  264.437   24.100    239.033   35.371    286.451   32.926    42.083  3.1611  46.134  2.6761  -4.051704      4.141732 
1 1 1 -3  -17 24 o 95.432  2.3047  1222.01   58.894    1260.08   84.478    1186.00   82.147    96.877  3.2556  93.986  3.2632  2.891518       4.609490 
1 1 1 -3  -17 25 o 59.156  2.0162  469.268   31.929    481.126   46.072    458.310   44.289    59.873  2.8729  58.438  2.8295  1.434982       4.032313 
1 1 1 -3  -17 26 o 171.899 3.5369  3986.98   162.834   3942.69   230.964   4030.74   229.606   170.939 5.0444  172.859 4.9591  -1.919983      7.073816 
1 1 1 -3  -17 27 o 114.926 2.6202  1776.90   80.648    1812.35   114.835   1742.41   113.287   116.058 3.6941  113.793 3.7168  2.264664       5.240349 
1 1 1 -3  -17 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -17 29 o 86.633  3.3833  1021.49   77.961    1052.28   107.216   986.953   113.563   88.080  4.5602  85.186  4.9991  2.894707       6.766553 
1 1 1 -3  -17 30 o 30.739  2.3894  128.975   19.334    126.088   27.639    131.742   27.054    30.385  3.4576  31.093  3.2989  -0.7084064     4.778876 
1 1 1 -3  -17 31 o 77.460  2.2155  809.368   45.958    795.079   65.187    823.490   64.803    76.774  3.1700  78.147  3.0960  -1.372574      4.431019 
1 1 1 -3  -17 32 o 35.832  2.1974  174.661   20.878    178.855   29.682    170.554   29.371    36.265  3.0851  35.399  3.1300  0.8656883      4.394814 
1 1 1 -3  -17 33 o 91.418  2.4185  1133.39   59.216    1136.23   83.392    1130.50   84.101    91.540  3.4012  91.296  3.4392  0.2436981      4.836961 
1 1 1 -3  -17 34 o 60.495  2.1738  497.087   35.133    512.883   49.418    480.944   49.958    61.526  2.9987  59.465  3.1478  2.061169       4.347537 
1 1 1 -3  -17 35 o 25.556  2.7540  91.449    18.142    78.924    25.294    104.718   26.034    23.648  4.1444  27.465  3.6278  -3.817303      5.507914 
1 1 1 -3  -17 36 o 12.812  2.9418  16.977    13.740    39.332    19.157    -6.7041   19.718    16.566  4.2851  9.0571  4.0318  7.509371       5.883677 
1 1 1 -3  -17 37 o 50.212  2.2427  345.608   29.999    343.240   41.879    348.103   42.994    50.046  3.1401  50.378  3.2029  -0.3315392     4.485413 
1 1 1 -3  -17 38 f 10.756  3.1271  5.8987    14.516    2.0163    19.932    10.284    21.183    10.071  4.2672  11.441  4.5723  -1.369378      6.254199 
1 1 1 -3  -17 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -17 40 o 43.209  2.4514  261.678   28.036    270.372   38.584    251.953   40.808    44.064  3.2929  42.354  3.6323  1.709892       4.902761 
1 1 1 -3  -17 41 o 31.340  2.8173  141.933   22.960    153.270   31.884    129.722   33.090    32.811  3.6920  29.869  4.2564  2.941833       5.634542 
1 1 1 -3  -17 42 o 10.318  3.1439  1.1516    15.523    -2.3853   20.126    6.3463    24.390    9.3950  4.1326  11.240  4.7390  -1.844912      6.287869 
1 1 1 -3  -17 43 o 29.444  3.1520  130.842   24.023    135.366   33.338    125.955   34.646    30.126  4.2496  28.762  4.6564  1.364176       6.304021 
1 1 1 -3  -17 44 o 14.715  3.3021  32.211    13.848    37.978    24.809    29.601    16.691    15.507  5.1313  13.924  4.1576  1.582873       6.604275 
1 1 1 -3  -17 45 o 11.526  3.1528  9.6192    13.180    33.549    24.797    0.1968    15.560    14.613  5.1244  8.4377  3.6744  6.175606       6.305659 
1 1 1 -3  -17 46 o 13.669  3.2669  30.113    14.717    15.652    26.185    36.790    17.793    12.101  4.9910  15.238  4.2166  -3.136822      6.533803 
1 1 1 -3  -17 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -17 48 o 22.534  3.5081  86.321    19.451    88.682    34.677    85.237    23.495    21.771  5.8301  23.296  3.9033  -1.525318      7.016115 
1 1 1 -3  -17 49 o 10.623  3.2200  11.129    14.940    9.7897    29.765    11.580    17.274    11.243  4.9819  10.002  4.0811  1.241622       6.440056 
1 1 1 -3  -16 1  o 105.067 2.4384  1480.88   68.619    1480.15   97.481    1481.60   96.609    105.041 3.4648  105.094 3.4320  -0.5334473E-01 4.876826 
1 1 1 -3  -16 2  o 103.137 2.3755  1426.67   65.605    1472.55   93.246    1381.70   92.321    104.780 3.3225  101.493 3.3960  3.286888       4.750996 
1 1 1 -3  -16 3  o 169.600 3.4040  3864.03   154.607   3955.30   219.171   3773.62   218.128   171.598 4.7685  167.601 4.8590  3.996857       6.807949 
1 1 1 -3  -16 4  o 115.390 2.5232  1786.06   77.986    1792.78   110.484   1779.39   110.095   115.606 3.5680  115.174 3.5688  0.4324875      5.046499 
1 1 1 -3  -16 5  o 129.837 2.7458  2262.30   95.454    2337.75   135.164   2187.23   134.821   132.001 3.8229  127.673 3.9425  4.327522       5.491611 
1 1 1 -3  -16 6  o 126.948 2.6831  2162.24   91.223    2198.86   128.961   2125.55   129.056   128.026 3.7607  125.869 3.8280  2.156288       5.366242 
1 1 1 -3  -16 7  o 113.142 3.4785  1719.15   105.378   1712.36   146.942   1726.33   151.204   112.916 4.8585  113.368 4.9795  -0.4518127     6.957047 
1 1 1 -3  -16 8  o 58.289  2.7595  474.482   41.123    583.445   55.968    346.633   60.624    65.964  3.1677  50.613  4.5194  15.35100       5.519007 
1 1 1 -3  -16 9  o 43.780  2.5359  259.761   29.146    265.754   38.749    251.952   44.231    44.396  3.2818  43.163  3.8668  1.233387       5.071702 
1 1 1 -3  -16 10 o 71.456  2.7104  685.916   51.585    670.632   70.452    703.578   75.738    70.605  3.7387  72.307  3.9253  -1.701935      5.420897 
1 1 1 -3  -16 11 o 9.8825  2.5200  10.017    8.8792    3.4968    12.740    16.175    12.382    8.5916  3.5052  11.173  3.6214  -2.581765      5.039920 
1 1 1 -3  -16 12 o 198.094 3.8583  5275.89   204.710   5318.04   289.263   5233.60   289.744   198.890 5.4299  197.297 5.4828  1.592773       7.716535 
1 1 1 -3  -16 13 o 120.183 2.5559  1938.52   82.240    2000.85   116.128   1875.82   116.483   122.125 3.5501  118.241 3.6780  3.884636       5.111829 
1 1 1 -3  -16 14 o 87.108  2.0979  1017.45   48.942    999.494   69.054    1035.58   69.376    86.335  2.9862  87.881  2.9473  -1.546280      4.195702 
1 1 1 -3  -16 15 f 172.241 3.4220  3987.03   157.867   4015.59   223.211   3958.46   223.303   172.860 4.8210  171.621 4.8577  1.238571       6.843912 
1 1 1 -3  -16 16 o 85.336  2.0694  976.935   47.249    1035.61   67.107    919.253   66.536    87.881  2.8509  82.791  3.0004  5.089745       4.138887 
1 1 1 -3  -16 17 o 76.414  1.9932  783.042   40.790    780.979   58.072    785.052   57.309    76.314  2.8410  76.514  2.7963  -0.2002869     3.986332 
1 1 1 -3  -16 18 o 168.684 3.3591  3825.44   151.760   3887.14   215.247   3764.45   214.000   170.040 4.7260  167.328 4.7748  2.711685       6.718200 
1 1 1 -3  -16 19 o 110.200 2.4592  1629.65   72.579    1660.80   103.358   1599.33   101.942   111.239 3.4689  109.160 3.4866  2.079109       4.918320 
1 1 1 -3  -16 20 o 192.421 3.7901  4985.45   195.335   5027.20   277.143   4944.24   275.357   193.222 5.3550  191.620 5.3650  1.602798       7.580157 
1 1 1 -3  -16 21 o 100.296 2.3135  1349.63   62.138    1369.51   88.937    1330.67   86.853    101.016 3.2870  99.575  3.2565  1.441124       4.626982 
1 1 1 -3  -16 22 o 132.014 2.8354  2342.17   100.235   2314.70   142.837   2368.82   140.695   131.246 4.0632  132.783 3.9559  -1.537033      5.670859 
1 1 1 -3  -16 23 o 89.466  2.2414  1073.53   53.693    1105.14   77.088    1043.74   74.829    90.744  3.1716  88.187  3.1679  2.556664       4.482742 
1 1 1 -3  -16 24 o 105.818 2.4963  1504.17   70.725    1485.64   101.079   1521.94   98.995    105.174 3.5881  106.462 3.4716  -1.287186      4.992641 
1 1 1 -3  -16 25 o 65.282  2.0715  573.374   36.124    543.344   52.094    601.191   50.137    63.625  3.0568  66.938  2.7964  -3.313351      4.142933 
1 1 1 -3  -16 26 o 89.614  2.2934  1078.10   55.033    1114.11   78.532    1043.36   77.143    91.085  3.2189  88.142  3.2675  2.943092       4.586740 
1 1 1 -3  -16 27 o 108.284 2.5261  1576.12   73.243    1630.28   104.159   1523.15   103.014   110.128 3.5311  106.439 3.6133  3.688950       5.052188 
1 1 1 -3  -16 28 o 118.344 2.6869  1885.28   85.138    1954.93   120.839   1816.62   119.971   120.524 3.7432  116.165 3.8558  4.358765       5.373894 
1 1 1 -3  -16 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -16 30 f 121.309 2.7732  1986.42   90.097    2019.34   127.402   1953.47   127.430   122.322 3.8885  120.295 3.9549  2.027611       5.546317 
1 1 1 -3  -16 31 o 97.757  2.4657  1290.77   64.477    1364.81   91.076    1216.37   91.293    100.592 3.3803  94.921  3.5907  5.670815       4.931492 
1 1 1 -3  -16 32 o 53.324  2.1189  385.386   30.061    414.895   42.374    355.486   42.653    55.412  2.8648  51.236  3.1230  4.176411       4.237895 
1 1 1 -3  -16 33 o 53.004  2.1314  380.508   30.126    369.485   42.083    392.094   43.145    52.213  3.0221  53.795  3.0063  -1.581966      4.262753 
1 1 1 -3  -16 34 o 77.014  2.2682  804.199   46.768    817.567   65.534    790.325   66.764    77.683  3.1496  76.345  3.2649  1.337883       4.536480 
1 1 1 -3  -16 35 o 57.141  2.1755  444.618   33.146    455.237   46.363    433.516   47.406    57.863  3.0018  56.419  3.1496  1.444130       4.350942 
1 1 1 -3  -16 36 o 43.867  2.2255  263.213   25.965    264.813   36.288    261.534   37.167    44.019  3.0975  43.716  3.1963  0.3031387      4.450950 
1 1 1 -3  -16 37 o 43.747  2.2759  262.665   26.453    264.956   36.683    260.182   38.181    43.973  3.1350  43.520  3.3000  0.4530067      4.551741 
1 1 1 -3  -16 38 o 20.119  3.1045  61.848    16.990    91.150    23.202    27.970    24.948    25.543  3.4821  14.696  5.1408  10.84682       6.209061 
1 1 1 -3  -16 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -16 40 o 23.686  3.2123  84.418    19.394    103.243   26.408    62.376    28.576    26.979  3.7565  20.393  5.2119  6.585634       6.424553 
1 1 1 -3  -16 41 o 11.737  3.3773  10.290    16.557    8.1837    22.014    13.034    25.122    11.157  4.5860  12.316  4.9591  -1.158934      6.754613 
1 1 1 -3  -16 42 f 36.034  2.3315  179.400   21.747    201.751   35.410    165.864   27.557    37.663  3.5521  34.405  3.0209  3.257294       4.662950 
1 1 1 -3  -16 43 o 31.126  2.5053  138.537   19.754    143.452   32.681    135.708   24.797    31.273  3.9927  30.979  3.0271  0.2940197      5.010509 
1 1 1 -3  -16 44 o 28.886  2.6212  120.166   19.090    132.264   32.008    113.486   23.784    29.699  4.1361  28.074  3.2212  1.624939       5.242470 
1 1 1 -3  -16 45 o 10.875  3.3926  -4.0198   19.696    16.232    29.892    -19.5567  26.183    12.743  5.3005  9.0073  4.2359  3.735543       6.785188 
1 1 1 -3  -16 46 o 14.931  3.0562  38.632    14.945    5.9742    26.923    53.176    17.967    11.174  4.8497  18.687  3.7204  -7.513285      6.112357 
1 1 1 -3  -16 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -16 48 o 9.5106  2.8705  1.8622    14.315    -28.0438  25.390    15.797    17.332    8.1161  3.9126  10.905  4.2012  -2.789083      5.740983 
1 1 1 -3  -16 49 o 10.695  4.5205  -34.8755  11.839    11.730    22.280    -53.2137  13.976    10.695  4.5205  ?       ?       ?              ?        
1 1 1 -3  -15 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -15 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -15 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -15 4  o 226.072 4.3079  6869.27   260.850   6824.67   369.086   6913.79   368.709   225.336 6.1152  226.809 6.0693  -1.472626      8.615747 
1 1 1 -3  -15 5  o 262.765 4.9791  9289.23   350.427   9351.64   495.670   9226.87   495.489   263.651 7.0190  261.879 7.0639  1.772430       9.958153 
1 1 1 -3  -15 6  o 221.868 4.2241  6613.59   251.018   6546.91   354.830   6680.39   355.156   220.745 6.0012  222.991 5.9463  -2.245453      8.448234 
1 1 1 -3  -15 7  o 174.116 3.4229  4068.89   159.612   4138.86   225.546   3998.70   225.904   175.619 4.7948  172.613 4.8861  3.005844       6.845762 
1 1 1 -3  -15 8  o 86.994  2.0550  1014.25   47.859    970.907   67.293    1058.61   68.080    85.112  2.9518  88.875  2.8599  -3.763092      4.110002 
1 1 1 -3  -15 9  o 162.177 3.2149  3528.87   139.649   3521.92   197.157   3535.87   197.831   162.017 4.5432  162.337 4.5498  -0.3202057     6.429707 
1 1 1 -3  -15 10 o 130.698 2.7039  2290.88   94.653    2308.02   133.545   2273.58   134.177   131.191 3.8005  130.206 3.8473  0.9845581      5.407897 
1 1 1 -3  -15 11 o 320.933 6.0066  13890.05  516.304   13698.08  729.725   14082.49  730.604   318.698 8.5485  323.168 8.4404  -4.469238      12.01325 
1 1 1 -3  -15 12 o 228.413 6.1629  7041.20   377.034   7034.63   535.338   7047.66   531.102   228.299 8.7546  228.526 8.6767  -0.2269440     12.32585 
1 1 1 -3  -15 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -15 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -15 15 o 55.099  2.6452  410.751   38.546    425.132   52.191    393.493   57.174    56.192  3.4848  54.005  3.9805  2.186222       5.290430 
1 1 1 -3  -15 16 f 117.773 2.5540  1861.15   80.553    1832.09   114.237   1889.88   113.605   116.856 3.6498  118.689 3.5735  -1.833282      5.107918 
1 1 1 -3  -15 17 o 248.199 4.7458  8304.49   315.497   8288.61   446.783   8320.28   445.581   247.959 6.7271  248.440 6.6960  -0.4806824     9.491598 
1 1 1 -3  -15 18 o 92.221  2.1877  1140.79   54.026    1136.36   77.181    1145.04   75.650    92.044  3.1306  92.398  3.0567  -0.3539734     4.375402 
1 1 1 -3  -15 19 f 18.402  2.4926  46.847    11.780    63.167    17.298    32.733    16.086    21.481  3.0959  15.323  3.9074  6.158287       4.985201 
1 1 1 -3  -15 20 o 92.505  2.2182  1147.88   54.944    1152.82   78.737    1143.19   76.707    92.697  3.1712  92.313  3.1023  0.3845291      4.436316 
1 1 1 -3  -15 21 o 102.677 2.3852  1415.01   65.577    1410.43   93.841    1419.38   91.676    102.512 3.4177  102.842 3.3281  -0.3304977     4.770405 
1 1 1 -3  -15 22 o 191.662 3.8231  4949.62   196.186   4813.27   278.331   5084.27   276.575   189.019 5.4975  194.305 5.3142  -5.285858      7.646147 
1 1 1 -3  -15 23 o 83.359  2.1749  932.559   48.537    927.474   69.626    937.367   67.696    83.136  3.1268  83.583  3.0238  -0.4476089     4.349753 
1 1 1 -3  -15 24 o 113.118 2.5780  1718.36   78.105    1731.13   111.163   1705.91   109.765   113.533 3.6555  112.704 3.6361  0.8284531      5.155956 
1 1 1 -3  -15 25 o 148.011 3.0892  2946.39   122.465   2936.14   173.597   2956.54   172.789   147.752 4.3865  148.270 4.3509  -0.5173950     6.178306 
1 1 1 -3  -15 26 o 155.035 3.2003  3234.91   132.875   3308.90   188.256   3161.45   187.572   156.809 4.4822  153.261 4.5693  3.548096       6.400640 
1 1 1 -3  -15 27 o 25.562  2.5709  89.519    17.082    95.819    24.456    83.518    23.869    26.472  3.5376  24.652  3.7315  1.819775       5.141876 
1 1 1 -3  -15 28 o 16.010  3.2594  35.160    14.869    41.567    21.069    28.803    20.988    17.250  4.5095  14.771  4.7074  2.478611       6.518839 
1 1 1 -3  -15 29 o 32.748  2.3390  146.051   20.149    132.477   28.575    159.473   28.415    31.191  3.4796  34.305  3.1268  -3.114126      4.678082 
1 1 1 -3  -15 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -15 31 o 53.328  2.1364  384.974   30.309    408.588   42.341    360.160   43.404    55.035  2.8824  51.622  3.1543  3.412552       4.272877 
1 1 1 -3  -15 32 o 94.884  2.4548  1217.03   62.312    1269.87   87.453    1162.53   88.809    97.002  3.3659  92.766  3.5742  4.235817       4.909623 
1 1 1 -3  -15 33 o 78.439  2.2740  831.033   47.767    821.139   66.769    841.407   68.366    77.965  3.1973  78.913  3.2345  -0.9483948     4.548028 
1 1 1 -3  -15 34 o 76.472  2.2976  791.780   47.046    784.862   65.598    799.108   67.509    76.137  3.2167  76.808  3.2815  -0.6708984     4.595130 
1 1 1 -3  -15 35 o 14.473  3.1993  28.141    13.839    22.713    18.808    34.551    20.437    13.257  4.4693  15.689  4.5789  -2.432405      6.398537 
1 1 1 -3  -15 36 o 36.372  2.3225  181.482   22.359    181.162   30.912    181.833   32.380    36.358  3.2070  36.386  3.3603  -0.2771378E-01 4.645098 
1 1 1 -3  -15 37 o 24.040  2.8758  81.293    17.802    71.727    24.394    92.193    26.039    22.459  4.2099  25.622  3.9188  -3.163757      5.751503 
1 1 1 -3  -15 38 o 22.699  3.0409  73.706    17.776    73.850    24.346    73.541    26.016    22.769  4.1446  22.629  4.4510  0.1407433      6.081866 
1 1 1 -3  -15 39 f 28.507  2.8131  114.147   20.701    95.696    28.239    135.580   30.435    25.902  4.2153  31.112  3.7264  -5.210325      5.626268 
1 1 1 -3  -15 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -15 41 o 10.505  2.9096  10.146    11.488    11.729    19.368    9.2867    14.268    11.197  4.4046  9.8117  3.8029  1.385676       5.819191 
1 1 1 -3  -15 42 o 16.158  3.2791  37.044    14.388    47.647    24.616    31.542    17.733    17.693  4.9825  14.623  4.2645  3.069292       6.558286 
1 1 1 -3  -15 43 o 11.023  3.0988  11.826    13.119    10.407    23.009    12.510    15.969    11.454  4.6960  10.592  4.0444  0.8616438      6.197531 
1 1 1 -3  -15 44 o 36.415  2.4326  188.592   22.759    203.141   37.359    180.006   28.700    37.240  3.7986  35.590  3.0399  1.650341       4.865199 
1 1 1 -3  -15 45 o 8.8128  2.7568  -0.6924   12.179    -11.4541  23.125    3.4385    14.327    9.0024  4.1468  8.6232  3.6337  0.3792057      5.513650 
1 1 1 -3  -15 46 o 23.984  3.3602  100.749   19.665    66.471    33.249    119.190   24.388    19.406  5.8848  28.562  3.2455  -9.155710      6.720456 
1 1 1 -3  -15 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -15 48 o 25.444  3.2288  100.398   20.136    122.314   35.487    89.991    24.454    26.862  5.1192  24.026  3.9364  2.835855       6.457646 
1 1 1 -3  -15 49 o 16.344  3.6102  38.450    16.689    80.567    32.059    22.793    19.546    20.606  5.6428  12.082  4.5048  8.524649       7.220378 
1 1 1 -3  -14 1  o 166.310 3.3686  3711.69   150.029   3640.15   212.584   3782.67   211.766   164.710 4.8186  167.911 4.7086  -3.200623      6.737171 
1 1 1 -3  -14 2  o 153.507 3.1361  3160.46   128.943   3154.30   182.743   3166.56   181.967   153.357 4.4488  153.656 4.4213  -0.2992706     6.272188 
1 1 1 -3  -14 3  o 270.700 5.1281  9849.41   371.791   10003.78  526.237   9695.55   525.349   272.825 7.2013  268.575 7.3029  4.249512       10.25621 
1 1 1 -3  -14 4  o 312.475 5.8639  13134.80  490.747   13337.20  694.316   12932.75  693.727   314.891 8.2320  310.060 8.3532  4.831146       11.72787 
1 1 1 -3  -14 5  o 116.012 2.5102  1803.94   77.996    1827.23   110.241   1780.60   110.365   116.762 3.5249  115.261 3.5749  1.500694       5.020442 
1 1 1 -3  -14 6  o 99.098  2.2591  1316.54   59.896    1238.67   84.373    1395.65   85.043    96.141  3.2764  102.055 3.1111  -5.913712      4.518202 
1 1 1 -3  -14 7  o 306.331 5.7394  12615.85  470.916   12577.13  665.669   12654.66  666.282   305.859 8.1255  306.803 8.1079  -0.9438171     11.47875 
1 1 1 -3  -14 8  o 153.973 3.0711  3178.52   126.657   3158.96   178.792   3198.22   179.449   153.497 4.3487  154.449 4.3378  -0.9513245     6.142286 
1 1 1 -3  -14 9  o 116.849 2.4670  1829.85   77.211    1814.31   108.861   1845.58   109.527   116.350 3.4932  117.349 3.4846  -0.9987488     4.934046 
1 1 1 -3  -14 10 o 243.915 4.5689  7989.34   298.471   8109.04   421.904   7869.42   422.299   245.749 6.4096  242.080 6.5129  3.668472       9.137872 
1 1 1 -3  -14 11 f 132.838 2.7575  2365.82   98.106    2394.87   138.530   2336.59   138.956   133.658 3.8696  132.019 3.9296  1.638199       5.515016 
1 1 1 -3  -14 12 o 301.212 5.6326  12206.87  454.417   12317.19  642.556   12096.48  642.729   302.580 7.9283  299.844 8.0028  2.736053       11.26517 
1 1 1 -3  -14 13 o 337.708 6.3108  15370.40  570.841   15396.92  807.222   15343.86  807.360   338.002 8.9163  337.415 8.9333  0.5869446      12.62161 
1 1 1 -3  -14 14 o 320.912 6.0086  13880.46  516.453   14035.00  730.611   13726.13  730.139   322.708 8.4525  319.116 8.5422  3.592010       12.01724 
1 1 1 -3  -14 15 o 159.542 3.2102  3415.81   137.182   3433.21   194.367   3398.54   193.644   159.947 4.5369  159.138 4.5430  0.8098907      6.420435 
1 1 1 -3  -14 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -14 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -14 18 o 91.099  2.1735  1112.44   53.024    1132.90   75.985    1093.02   74.026    91.914  3.0864  90.283  3.0612  1.631203       4.347067 
1 1 1 -3  -14 19 o 118.335 2.5859  1879.34   81.946    1868.03   116.904   1890.27   114.900   117.982 3.6994  118.688 3.6143  -0.7058334     5.171895 
1 1 1 -3  -14 20 o 103.951 2.3935  1450.44   66.612    1425.66   95.157    1474.25   93.278    103.077 3.4466  104.825 3.3222  -1.748810      4.787066 
1 1 1 -3  -14 21 o 86.519  2.1418  1003.40   49.615    1041.68   71.177    967.222   69.197    88.124  3.0155  84.915  3.0424  3.208969       4.283605 
1 1 1 -3  -14 22 o 36.537  1.9592  179.953   18.959    200.846   27.279    160.432   26.368    38.610  2.6539  34.464  2.8829  4.145256       3.918433 
1 1 1 -3  -14 23 o 191.628 3.8081  4946.43   195.396   5107.36   276.996   4787.04   275.671   194.745 5.3103  188.510 5.4597  6.235580       7.616259 
1 1 1 -3  -14 24 f 88.990  2.2737  1063.05   54.186    1045.53   76.927    1080.30   76.337    88.260  3.2540  89.720  3.1765  -1.460236      4.547434 
1 1 1 -3  -14 25 o 207.613 4.0934  5814.02   227.628   5780.46   322.001   5847.54   321.829   207.010 5.8073  208.217 5.7706  -1.207153      8.186869 
1 1 1 -3  -14 26 o 98.307  2.4117  1297.68   63.502    1294.72   89.853    1300.63   89.759    98.195  3.4163  98.420  3.4049  -0.2248993     4.823342 
1 1 1 -3  -14 27 o 148.306 3.1216  2961.21   123.914   3087.74   175.148   2834.42   175.333   151.495 4.3164  145.117 4.5108  6.377777       6.243270 
1 1 1 -3  -14 28 o 150.856 3.1998  3065.32   129.285   3090.63   182.391   3039.75   183.286   151.488 4.4951  150.225 4.5551  1.263367       6.399577 
1 1 1 -3  -14 29 o 90.624  2.3563  1103.98   57.189    1110.94   80.373    1096.84   81.391    90.917  3.3005  90.331  3.3639  0.5852661      4.712668 
1 1 1 -3  -14 30 o 115.770 3.7694  1814.63   116.858   1860.73   167.368   1770.77   163.233   117.204 5.3314  114.336 5.3301  2.868103       7.538808 
1 1 1 -3  -14 31 f 43.279  3.6876  301.203   33.417    351.128   39.633    178.425   62.152    51.015  2.9126  35.543  6.7758  15.47205       7.375297 
1 1 1 -3  -14 32 o 63.836  2.1976  551.462   37.374    589.934   52.160    510.869   53.579    66.195  2.9419  61.477  3.2655  4.717918       4.395269 
1 1 1 -3  -14 33 o 125.257 2.8787  2129.39   96.512    2191.90   135.432   2064.90   137.570   127.162 3.9763  123.351 4.1638  3.810555       5.757451 
1 1 1 -3  -14 34 o 78.885  2.3079  841.744   48.751    831.291   68.021    852.785   69.908    78.388  3.2397  79.383  3.2878  -0.9949722     4.615785 
1 1 1 -3  -14 35 o 30.446  2.4650  128.836   19.482    143.924   26.866    112.103   28.292    32.447  3.1302  28.446  3.8089  4.000340       4.930085 
1 1 1 -3  -14 36 o 57.730  2.2169  454.867   34.074    479.289   47.173    428.227   49.271    59.446  2.9627  56.014  3.2986  3.432171       4.433731 
1 1 1 -3  -14 37 o 19.446  3.1513  53.895    15.993    50.068    21.414    58.721    24.048    18.680  4.3595  20.212  4.5517  -1.531675      6.302605 
1 1 1 -3  -14 38 o 30.752  2.6397  133.080   21.025    146.680   28.840    117.652   30.716    32.582  3.3526  28.922  4.0783  3.659464       5.279410 
1 1 1 -3  -14 39 o 62.038  2.1280  523.580   35.140    546.481   53.181    505.833   46.815    63.180  3.1426  60.895  2.8702  2.285194       4.256059 
1 1 1 -3  -14 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -14 41 o 35.622  2.2855  175.088   21.047    185.472   34.022    168.651   26.787    36.336  3.5407  34.909  2.8909  1.426445       4.570980 
1 1 1 -3  -14 42 o 47.588  2.1902  307.301   27.337    366.952   43.584    268.616   35.099    51.248  3.1910  43.927  3.0011  7.320614       4.380494 
1 1 1 -3  -14 43 o 23.507  3.1516  93.022    17.969    52.059    29.579    116.980   22.621    18.189  5.5582  28.825  2.9726  -10.63603      6.303132 
1 1 1 -3  -14 44 o 16.958  3.2685  40.113    14.372    60.091    26.341    31.646    17.149    19.468  5.0193  14.449  4.1880  5.018717       6.537047 
1 1 1 -3  -14 45 o 16.265  3.1969  45.142    15.602    19.752    26.986    57.889    19.121    12.909  5.1602  19.621  3.7754  -6.711646      6.393857 
1 1 1 -3  -14 46 o 40.697  2.4667  239.533   25.885    259.907   42.390    227.419   32.686    41.687  3.8395  39.707  3.0978  1.979801       4.933406 
1 1 1 -3  -14 47 o 10.259  3.2951  -6.9125   20.120    4.1305    26.489    -21.9724  30.934    10.890  4.7669  9.6272  4.5507  1.262979       6.590259 
1 1 1 -3  -14 48 o 12.366  3.2625  7.3905    14.853    51.391    28.162    -9.5634   17.481    16.998  5.4567  7.7342  3.5777  9.264096       6.525008 
1 1 1 -3  -14 49 o 19.965  3.5380  74.620    18.791    57.620    33.129    82.684    22.817    17.077  5.9268  22.853  3.8655  -5.775919      7.075959 
1 1 1 -3  -13 1  o 285.622 5.3496  10958.60  409.255   11044.90  579.361   10872.65  578.189   286.747 7.5433  284.497 7.5876  2.249817       10.69920 
1 1 1 -3  -13 2  o 495.903 9.1821  33202.45  1219.61   32946.51  1725.05   33458.24  1724.52   493.976 13.038  497.830 12.933  -3.853882      18.36429 
1 1 1 -3  -13 3  o 443.014 8.2150  26444.14  974.653   26992.50  1379.07   25896.90  1377.67   447.629 11.502  438.399 11.732  9.230438       16.43008 
1 1 1 -3  -13 4  o 70.539  1.8993  666.768   35.873    685.043   50.641    648.361   50.825    71.510  2.6439  69.568  2.7276  1.941582       3.798684 
1 1 1 -3  -13 5  o 508.171 9.3650  34834.61  1274.57   35417.51  1802.85   34252.16  1802.18   512.451 13.135  503.891 13.353  8.560333       18.73005 
1 1 1 -3  -13 6  o 397.056 7.2993  21203.93  776.289   21225.87  1097.63   21181.98  1098.05   397.263 10.315  396.849 10.330  0.4133606      14.59865 
1 1 1 -3  -13 7  o 421.861 7.8078  23950.51  882.239   24014.60  1247.42   23886.37  1247.93   422.429 11.025  421.293 11.059  1.135742       15.61563 
1 1 1 -3  -13 8  o 272.733 5.1430  9983.26   375.694   10041.16  531.052   9925.25   531.572   273.527 7.2485  271.939 7.2980  1.587219       10.28596 
1 1 1 -3  -13 9  o 151.513 3.0437  3076.94   123.515   3106.47   174.427   3047.24   174.926   152.243 4.2775  150.783 4.3312  1.459641       6.087401 
1 1 1 -3  -13 10 o 361.042 6.6935  17527.98  647.164   17936.55  915.301   17119.55  915.154   365.266 9.3555  356.818 9.5754  8.448151       13.38707 
1 1 1 -3  -13 11 o 109.655 2.3719  1611.25   69.662    1625.33   98.399    1597.09   98.634    110.136 3.3356  109.174 3.3730  0.9616623      4.743767 
1 1 1 -3  -13 12 o 238.507 4.5109  7634.17   288.175   7617.08   407.434   7651.27   407.648   238.239 6.3849  238.774 6.3739  -0.5350342     9.021875 
1 1 1 -3  -13 13 o 358.174 6.6384  17267.66  636.816   17521.36  900.902   17014.30  900.286   360.816 9.3219  355.532 9.4539  5.284088       13.27683 
1 1 1 -3  -13 14 o 219.248 4.1967  6452.83   246.403   6612.76   348.950   6293.78   347.984   221.963 5.8694  216.533 5.9999  5.430359       8.393387 
1 1 1 -3  -13 15 o 239.628 4.5578  7713.73   292.521   7826.10   414.399   7602.13   412.979   241.371 6.4098  237.884 6.4815  3.486938       9.115639 
1 1 1 -3  -13 16 o 163.394 3.2513  3581.82   142.289   3606.58   202.008   3557.44   200.455   163.954 4.6000  162.834 4.5960  1.120560       6.502567 
1 1 1 -3  -13 17 o 87.405  2.1210  1023.94   49.640    1028.51   71.150    1019.60   69.290    87.594  3.0326  87.216  2.9661  0.3781967      4.241972 
1 1 1 -3  -13 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -13 19 o 286.489 5.4251  11077.10  416.294   11064.89  589.808   11089.22  587.656   286.327 7.6906  286.652 7.6538  -0.3251648     10.85019 
1 1 1 -3  -13 20 o 258.892 4.9479  9041.06   343.103   9100.12   486.169   8982.46   484.279   259.737 6.9882  258.047 7.0066  1.689423       9.895812 
1 1 1 -3  -13 21 o 68.864  1.9793  636.001   36.496    631.699   52.205    640.113   51.041    68.635  2.8398  69.093  2.7580  -0.4581146     3.958641 
1 1 1 -3  -13 22 f 179.927 3.5903  4355.18   173.026   4353.03   245.070   4357.33   244.324   179.881 5.0865  179.973 5.0684  -0.9175110E-01 7.180584 
1 1 1 -3  -13 23 o 107.427 2.4700  1549.12   71.067    1576.73   100.719   1521.74   100.289   108.382 3.4695  106.473 3.5166  1.909943       4.940040 
1 1 1 -3  -13 24 o 198.754 3.9528  5323.50   210.415   5249.86   297.409   5397.31   297.735   197.369 5.6258  200.138 5.5541  -2.768356      7.905535 
1 1 1 -3  -13 25 o 175.514 3.5522  4147.60   166.981   4204.57   235.960   4090.44   236.336   176.729 4.9847  174.300 5.0623  2.429352       7.104492 
1 1 1 -3  -13 26 o 108.782 2.5457  1589.48   74.163    1614.72   104.632   1564.00   105.134   109.653 3.5625  107.911 3.6374  1.742508       5.091333 
1 1 1 -3  -13 27 o 25.745  2.6039  90.889    17.432    92.596    24.356    89.098    24.959    26.012  3.5915  25.478  3.7713  0.5338287      5.207878 
1 1 1 -3  -13 28 o 164.733 3.4015  3655.95   150.082   3654.20   211.475   3657.73   213.031   164.697 4.7939  164.770 4.8270  -0.7283020E-01 6.803004 
1 1 1 -3  -13 29 o 115.533 2.6920  1796.15   83.264    1839.39   117.007   1751.80   118.515   116.951 3.7352  114.114 3.8774  2.836967       5.383900 
1 1 1 -3  -13 30 o 97.212  2.4568  1271.30   63.955    1278.99   89.637    1263.32   91.278    97.516  3.4318  96.907  3.5166  0.6094589      4.913600 
1 1 1 -3  -13 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -13 32 o 85.266  2.3612  980.124   53.888    991.430   75.078    968.110   77.393    85.784  3.2675  84.747  3.4095  1.037285       4.722436 
1 1 1 -3  -13 33 o 120.634 2.8348  1971.53   91.561    1993.62   128.204   1948.53   130.809   121.345 3.9445  119.922 4.0724  1.423103       5.669515 
1 1 1 -3  -13 34 o 125.518 2.9158  2141.12   98.007    2094.19   136.934   2190.40   140.336   124.111 4.1192  126.925 4.1279  -2.814926      5.831593 
1 1 1 -3  -13 35 o 73.201  2.2912  726.776   44.865    742.956   62.336    709.386   64.623    74.072  3.1419  72.329  3.3357  1.743240       4.582405 
1 1 1 -3  -13 36 o 53.089  2.2323  384.580   31.530    397.475   43.702    370.581   45.534    54.057  3.0306  52.121  3.2783  1.935490       4.464506 
1 1 1 -3  -13 37 f 32.161  2.1738  143.427   18.148    132.268   27.737    151.779   23.997    30.962  3.4006  33.361  2.7089  -2.398663      4.347692 
1 1 1 -3  -13 38 o 27.056  2.4220  103.266   16.630    93.803    26.058    109.768   21.601    25.843  3.8847  28.269  2.8936  -2.426029      4.843911 
1 1 1 -3  -13 39 o 51.085  2.0745  353.785   28.073    385.035   42.845    330.274   37.162    53.013  3.0299  49.157  2.8345  3.856659       4.149075 
1 1 1 -3  -13 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -13 41 o 41.206  2.2193  236.103   23.710    232.937   37.700    238.174   30.495    40.812  3.4821  41.600  2.7524  -0.7878685     4.438526 
1 1 1 -3  -13 42 o 34.971  2.3796  172.764   21.207    169.384   34.605    174.798   26.836    34.457  3.8134  35.485  2.8475  -1.028889      4.759242 
1 1 1 -3  -13 43 o 15.872  2.9016  40.896    14.393    7.1871    23.590    60.887    18.167    11.197  4.6874  20.547  3.4212  -9.350366      5.803103 
1 1 1 -3  -13 44 o 17.122  3.0704  39.617    14.547    72.159    24.239    21.296    18.187    21.830  4.2984  12.415  4.3856  9.415309       6.140828 
1 1 1 -3  -13 45 o 23.791  3.1134  90.074    18.232    75.912    29.905    98.451    23.000    21.594  5.2266  25.987  3.3847  -4.393305      6.226788 
1 1 1 -3  -13 46 o 21.941  3.1291  67.993    17.194    109.550   29.956    47.577    20.997    26.594  4.3563  17.287  4.4932  9.307024       6.258277 
1 1 1 -3  -13 47 o 9.5927  2.8357  2.9865    13.681    -33.6970  26.346    16.530    16.009    8.1224  3.9330  11.063  4.0863  -2.940566      5.671497 
1 1 1 -3  -13 48 o 12.025  3.1803  19.886    15.508    -10.0560  28.742    32.182    18.419    9.9406  4.5945  14.109  4.3985  -4.168829      6.360556 
1 1 1 -3  -13 49 o 15.898  3.6765  42.011    17.254    60.495    30.090    32.955    21.061    17.865  5.6304  13.931  4.7293  3.934504       7.353071 
1 1 1 -3  -12 1  o 363.096 6.7913  17717.03  660.416   17434.63  934.245   17999.08  933.694   360.194 9.6836  365.999 9.5244  -5.804535      13.58252 
1 1 1 -3  -12 2  o 288.120 5.4166  11139.92  418.011   11143.96  591.544   11135.89  590.771   288.172 7.6639  288.068 7.6566  0.1037903      10.83320 
1 1 1 -3  -12 3  o 650.847 11.982  57273.74  2088.69   58022.57  2954.63   56525.69  2953.08   655.138 16.838  646.555 17.052  8.583313       23.96421 
1 1 1 -3  -12 4  o 82.348  2.0415  908.610   45.005    872.054   63.505    945.491   63.787    80.683  2.9386  84.012  2.8347  -3.329361      4.082984 
1 1 1 -3  -12 5  o 747.312 13.789  75711.17  2759.54   74045.31  3900.94   77379.82  3904.22   738.986 19.708  755.637 19.290  -16.65100      27.57738 
1 1 1 -3  -12 6  o 88.181  3.0854  1087.03   66.949    1168.08   82.151    926.753   115.524   93.375  3.2847  82.986  5.2240  10.38893       6.170800 
1 1 1 -3  -12 7  o 480.122 8.8151  31025.73  1133.62   30985.51  1602.87   31065.98  1603.50   479.810 12.472  480.435 12.461  -0.6247864     17.63025 
1 1 1 -3  -12 8  o 427.419 7.8773  24565.82  901.763   24228.09  1274.73   24904.14  1275.84   424.467 11.212  430.371 11.068  -5.903748      15.75463 
1 1 1 -3  -12 9  o 537.215 9.8940  38902.22  1423.68   38871.87  2013.12   38932.59  2013.64   537.005 13.996  537.425 13.989  -0.4210815     19.78808 
1 1 1 -3  -12 10 o 347.394 6.4467  16209.14  599.829   16394.45  848.273   16023.82  848.300   349.385 9.0645  345.402 9.1693  3.983215       12.89341 
1 1 1 -3  -12 11 o 330.315 6.1369  14652.01  542.952   14720.22  767.823   14583.79  767.877   331.086 8.6583  329.543 8.6994  1.542145       12.27379 
1 1 1 -3  -12 12 o 263.711 4.9920  9332.30   352.559   9523.55   498.819   9141.39   498.368   266.416 6.9903  261.007 7.1287  5.409790       9.984086 
1 1 1 -3  -12 13 o 57.247  1.7721  438.984   27.168    440.774   38.849    437.271   38.007    57.361  2.5285  57.133  2.4836  0.2281609      3.544283 
1 1 1 -3  -12 14 o 185.564 3.6071  4617.16   179.284   4637.68   254.229   4596.85   252.869   185.975 5.1037  185.154 5.0989  0.8204193      7.214268 
1 1 1 -3  -12 15 o 422.370 7.8493  24053.89  887.999   24126.15  1256.64   23981.82  1255.01   423.006 11.091  421.734 11.110  1.272003       15.69863 
1 1 1 -3  -12 16 o 149.868 3.0312  3011.30   121.673   3048.83   173.061   2974.62   171.098   150.791 4.2848  148.945 4.2888  1.846542       6.062449 
1 1 1 -3  -12 17 f 79.415  2.0651  846.396   43.864    812.256   62.876    878.763   61.222    77.851  3.0153  80.979  2.8226  -3.128029      4.130285 
1 1 1 -3  -12 18 o 302.347 5.6885  12318.21  460.650   12194.45  652.403   12441.25  650.516   300.821 8.0969  303.874 7.9924  -3.052948      11.37708 
1 1 1 -3  -12 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -12 20 o 143.584 4.2579  2774.02   163.752   2751.14   230.995   2797.15   232.170   142.988 6.0314  144.180 6.0119  -1.192810      8.515873 
1 1 1 -3  -12 21 o 180.630 3.6012  4386.52   174.227   4357.31   246.522   4415.67   246.266   180.027 5.1124  181.234 5.0731  -1.207062      7.202335 
1 1 1 -3  -12 22 o 81.383  2.1374  888.452   46.585    872.190   65.969    904.627   65.793    80.639  3.0543  82.127  2.9909  -1.488388      4.274801 
1 1 1 -3  -12 23 o 175.779 3.5253  4156.59   165.955   4072.59   234.417   4241.00   234.977   173.991 5.0300  177.567 4.9405  -3.575272      7.050558 
1 1 1 -3  -12 24 o 28.858  2.0814  112.703   15.830    103.655   21.957    122.497   22.843    27.633  3.0155  30.084  2.8697  -2.450516      4.162750 
1 1 1 -3  -12 25 o 115.195 2.6244  1782.05   80.972    1773.93   113.952   1790.32   115.079   114.930 3.7017  115.459 3.7212  -0.5282898     5.248776 
1 1 1 -3  -12 26 o 130.744 2.8735  2297.39   100.620   2302.82   141.548   2291.85   143.062   130.904 4.0370  130.585 4.0902  0.3183289      5.746931 
1 1 1 -3  -12 27 o 156.209 3.2594  3283.45   136.367   3288.59   191.968   3278.21   193.748   156.337 4.5844  156.082 4.6344  0.2551422      6.518766 
1 1 1 -3  -12 28 o 221.079 4.3386  6605.87   256.902   6634.56   362.299   6576.87   364.339   221.572 6.1047  220.586 6.1665  0.9856110      8.677151 
1 1 1 -3  -12 29 o 59.554  2.1154  477.816   33.604    500.396   46.818    453.824   48.260    61.057  2.8628  58.051  3.1152  3.005630       4.230833 
1 1 1 -3  -12 30 o 152.878 3.2394  3151.53   132.637   3117.55   186.278   3186.49   188.902   152.044 4.5741  153.712 4.5882  -1.668533      6.478704 
1 1 1 -3  -12 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -12 32 o 143.049 3.1290  2767.93   119.873   2741.24   167.951   2795.64   171.146   142.353 4.4048  143.745 4.4451  -1.392166      6.257923 
1 1 1 -3  -12 33 o 13.345  3.0825  21.679    13.985    36.019    18.643    3.2204    21.151    16.025  4.2673  10.666  4.4495  5.358865       6.165032 
1 1 1 -3  -12 34 o 12.937  3.0086  17.804    12.784    5.2954    16.631    35.870    19.987    9.8691  4.0131  16.005  4.4835  -6.136208      6.017189 
1 1 1 -3  -12 35 o 72.201  2.1909  710.874   42.018    641.452   61.404    772.006   57.622    68.803  3.3320  75.600  2.8456  -6.796982      4.381743 
1 1 1 -3  -12 36 o 57.412  2.0740  450.643   31.484    416.714   46.898    478.480   42.479    55.328  3.1780  59.496  2.6657  -4.167713      4.147904 
1 1 1 -3  -12 37 o 30.607  2.2689  134.029   17.420    104.673   26.854    155.359   22.890    27.418  3.7553  33.795  2.5475  -6.376720      4.537816 
1 1 1 -3  -12 38 o 31.635  2.2788  139.503   18.486    130.149   29.178    145.774   23.893    30.614  3.6290  32.657  2.7572  -2.043686      4.557656 
1 1 1 -3  -12 39 o 19.373  2.8199  50.869    13.755    66.371    23.093    42.345    17.123    21.544  4.1525  17.201  3.8164  4.342680       5.639825 
1 1 1 -3  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -12 41 f 46.264  2.1873  293.643   26.597    311.105   41.536    281.507   34.627    47.324  3.2974  45.203  2.8749  2.121223       4.374676 
1 1 1 -3  -12 42 f 19.480  3.0793  49.987    15.569    87.018    26.618    30.730    19.195    24.420  4.2223  14.540  4.4832  9.879458       6.158503 
1 1 1 -3  -12 43 o 49.825  2.3306  355.089   30.065    322.994   46.927    377.436   39.157    47.547  3.7143  52.104  2.8162  -4.556511      4.661220 
1 1 1 -3  -12 44 o 36.713  2.4552  193.262   23.103    195.206   37.508    192.073   29.326    36.548  3.8914  36.878  2.9948  -0.3302650     4.910358 
1 1 1 -3  -12 45 o 16.315  3.3144  38.383    14.961    58.198    25.351    27.794    18.532    19.058  4.9292  13.573  4.4322  5.484643       6.628867 
1 1 1 -3  -12 46 o 20.208  3.3503  63.020    16.875    73.256    30.088    58.322    20.382    20.941  5.3459  19.475  4.0398  1.466015       6.700669 
1 1 1 -3  -12 47 o 14.489  3.4655  34.299    16.067    23.542    28.961    39.082    19.312    13.344  5.3415  15.635  4.4167  -2.291215      6.931023 
1 1 1 -3  -12 48 o 17.444  3.7109  47.671    17.591    70.549    32.267    37.997    20.984    19.730  5.7522  15.158  4.6897  4.571810       7.421703 
1 1 1 -3  -12 49 o 13.686  3.5156  31.978    16.633    22.414    30.617    35.983    19.812    12.800  5.3478  14.572  4.5650  -1.771832      7.031198 
1 1 1 -3  -11 1  o 413.884 7.6267  23022.61  845.362   23496.85  1196.36   22549.69  1194.69   418.155 10.682  409.613 10.889  8.541901       15.25347 
1 1 1 -3  -11 2  o 118.926 2.5729  1894.84   81.957    1912.43   116.152   1877.39   115.659   119.476 3.6296  118.376 3.6478  1.099770       5.145893 
1 1 1 -3  -11 3  o 110.534 2.4518  1637.29   72.551    1702.04   102.749   1572.90   102.457   112.715 3.4033  108.354 3.5303  4.361847       4.903624 
1 1 1 -3  -11 4  f 355.836 6.6102  16999.97  630.001   16861.48  890.731   17138.60  891.182   354.383 9.3839  357.290 9.3123  -2.907104      13.22032 
1 1 1 -3  -11 5  f 572.312 10.499  44142.00  1609.49   44144.71  2275.92   44139.28  2276.40   572.330 14.846  572.294 14.850  0.3619385E-01  20.99887 
1 1 1 -3  -11 6  o 458.950 8.4499  28327.25  1038.57   27718.86  1468.03   28936.85  1469.49   453.997 12.072  463.903 11.826  -9.906189      16.89987 
1 1 1 -3  -11 7  o 110.530 2.3503  1636.90   69.546    1569.80   98.024    1704.91   98.684    108.248 3.3808  112.812 3.2659  -4.563629      4.700660 
1 1 1 -3  -11 8  o 464.875 8.5620  29068.78  1065.92   29690.28  1507.67   28447.67  1507.21   469.864 11.980  459.885 12.236  9.978943       17.12395 
1 1 1 -3  -11 9  o 333.761 6.1613  14952.92  550.750   14710.08  778.525   15196.21  779.230   331.042 8.7801  336.479 8.6461  -5.437164      12.32253 
1 1 1 -3  -11 10 o 52.655  1.6989  371.632   23.925    347.250   33.736    396.304   33.935    50.916  2.4737  54.394  2.3292  -3.478096      3.397710 
1 1 1 -3  -11 11 o 395.957 7.2623  21068.50  770.070   21554.22  1089.48   20583.56  1088.61   400.532 10.155  391.381 10.384  9.151215       14.52467 
1 1 1 -3  -11 12 o 114.747 2.4754  1764.07   76.058    1823.32   108.017   1705.80   107.113   116.659 3.4569  112.835 3.5441  3.823288       4.950844 
1 1 1 -3  -11 13 o 236.728 4.5133  7515.72   286.172   7563.79   405.401   7467.98   404.020   237.483 6.3733  235.973 6.3922  1.509933       9.026573 
1 1 1 -3  -11 14 o 231.538 4.4185  7190.22   274.010   7282.05   388.393   7099.22   386.629   233.012 6.2231  230.065 6.2741  2.946487       8.836946 
1 1 1 -3  -11 15 o 604.628 11.159  49483.29  1807.10   50007.29  2557.02   48960.41  2554.24   607.856 15.705  601.399 15.857  6.457275       22.31783 
1 1 1 -3  -11 16 o 173.274 3.4277  4025.32   159.071   4094.23   226.028   3957.70   223.908   174.743 4.8292  171.804 4.8657  2.939743       6.855373 
1 1 1 -3  -11 17 o 566.623 10.534  43588.41  1598.60   42995.63  2261.23   44180.71  2260.31   562.718 15.003  570.529 14.791  -7.811646      21.06781 
1 1 1 -3  -11 18 o 104.676 2.3874  1469.09   66.918    1441.70   95.145    1495.90   94.137    103.709 3.4252  105.643 3.3268  -1.934120      4.774889 
1 1 1 -3  -11 19 o 37.388  1.7941  188.183   17.851    196.052   25.384    180.483   25.110    38.168  2.4967  36.608  2.5772  1.559921       3.588247 
1 1 1 -3  -11 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -11 21 o 292.587 5.5476  11560.42  434.708   11346.89  614.452   11774.38  615.089   289.861 7.9142  295.313 7.7762  -5.452362      11.09524 
1 1 1 -3  -11 22 o 333.706 6.2998  15096.25  563.031   14822.39  795.660   15370.93  796.833   330.641 8.9843  336.772 8.8337  -6.130920      12.59966 
1 1 1 -3  -11 23 o 38.664  1.9090  201.852   19.521    175.025   27.352    229.702   27.868    36.013  2.8590  41.315  2.5305  -5.301617      3.818088 
1 1 1 -3  -11 24 o 122.531 2.7194  2015.98   89.232    1960.40   125.521   2072.76   126.877   120.821 3.8787  124.241 3.8127  -3.420113      5.438828 
1 1 1 -3  -11 25 o 89.135  2.2793  1066.66   54.393    1085.22   76.216    1047.39   77.651    89.929  3.1642  88.341  3.2817  1.588142       4.558634 
1 1 1 -3  -11 26 o 16.709  3.0697  38.638    13.841    34.948    18.744    43.061    20.524    15.865  4.3024  17.554  4.3796  -1.688711      6.139313 
1 1 1 -3  -11 27 o 122.572 2.7855  2022.00   91.296    2135.05   128.243   1905.83   129.999   126.065 3.7979  119.078 4.0759  6.987419       5.571093 
1 1 1 -3  -11 28 o 346.787 6.5986  16433.74  612.880   16197.33  865.236   16671.80  868.259   344.245 9.3838  349.328 9.2795  -5.083374      13.19717 
1 1 1 -3  -11 29 o 69.572  2.1651  650.407   40.297    664.074   56.000    635.732   58.031    70.335  2.9726  68.808  3.1487  1.527016       4.330175 
1 1 1 -3  -11 30 o 75.553  2.2121  766.301   44.747    749.843   62.199    783.958   64.424    74.714  3.1081  76.392  3.1486  -1.677666      4.424196 
1 1 1 -3  -11 31 o 71.997  2.2317  696.211   43.013    676.800   59.611    717.296   62.126    70.952  3.1367  73.041  3.1755  -2.088348      4.463478 
1 1 1 -3  -11 32 o 58.876  2.7926  446.137   39.998    414.751   47.014    528.398   76.112    55.423  3.1803  62.329  4.5914  -6.905716      5.585262 
1 1 1 -3  -11 33 o 71.174  2.6576  680.873   47.987    670.713   59.073    700.586   82.282    70.555  3.1259  71.792  4.2987  -1.237679      5.315107 
1 1 1 -3  -11 34 o 58.487  2.0297  461.763   31.590    461.159   46.949    462.262   42.702    58.395  3.0119  58.579  2.7216  -0.1841812     4.059383 
1 1 1 -3  -11 35 o 114.037 2.6587  1762.30   81.091    1897.25   117.777   1640.67   111.814   118.195 3.7203  109.880 3.7992  8.315079       5.317348 
1 1 1 -3  -11 36 o 17.437  2.7338  46.120    12.529    26.969    19.620    59.306    16.280    14.159  4.5555  20.714  3.0234  -6.555115      5.467525 
1 1 1 -3  -11 37 o 54.028  2.0664  396.710   29.562    400.464   44.741    393.802   39.383    54.204  3.0945  53.851  2.7394  0.3523979      4.132845 
1 1 1 -3  -11 38 o 19.003  2.7713  48.864    13.416    66.111    21.812    38.367    17.016    21.620  3.9105  16.386  3.9279  5.233871       5.542572 
1 1 1 -3  -11 39 o 18.069  3.0264  46.816    14.192    48.191    22.565    45.917    18.255    18.230  4.6164  17.909  3.9148  0.3213711      6.052884 
1 1 1 -3  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -11 41 o 21.206  2.8660  62.018    15.198    77.254    25.670    53.795    18.859    23.072  4.3124  19.340  3.7760  3.732088       5.731987 
1 1 1 -3  -11 42 o 59.230  2.2674  487.000   35.345    493.750   54.998    482.251   46.132    59.351  3.4748  59.109  2.9138  0.2419014      4.534808 
1 1 1 -3  -11 43 o 15.995  2.8489  27.211    13.945    75.758    24.018    2.5217    17.128    22.678  4.1051  9.3131  3.9514  13.36478       5.697837 
1 1 1 -3  -11 44 o 21.673  3.1268  71.915    16.850    68.973    28.362    73.520    20.948    20.910  5.1078  22.436  3.6082  -1.525526      6.253677 
1 1 1 -3  -11 45 o 17.861  3.4340  46.240    15.940    66.808    28.865    37.217    19.119    20.241  5.2718  15.480  4.4021  4.760815       6.868093 
1 1 1 -3  -11 46 o 7.3995  2.5099  -18.2420  11.865    -14.0818  23.642    -19.6424  13.717    8.8795  4.1260  5.9195  2.8591  2.959975       5.019797 
1 1 1 -3  -11 47 o 11.932  3.2841  18.226    15.256    6.3798    26.690    23.975    18.593    11.188  4.8422  12.675  4.4378  -1.487338      6.568198 
1 1 1 -3  -11 48 o 9.2727  2.9173  -0.3733   14.224    -19.1720  27.471    6.5123    16.626    9.1176  4.3033  9.4278  3.9400  -0.3102474     5.834506 
1 1 1 -3  -11 49 o 15.231  3.7186  39.934    17.244    45.215    33.045    37.958    20.215    15.527  5.8438  14.935  4.6001  0.5915442      7.437178 
1 1 1 -3  -10 1  o 499.629 9.2060  33592.62  1231.73   34421.35  1742.97   32765.86  1740.89   505.813 12.865  493.445 13.172  12.36777       18.41206 
1 1 1 -3  -10 2  o 534.881 9.7706  38520.86  1399.66   39164.36  1980.22   37878.39  1978.62   539.368 13.707  530.394 13.928  8.973816       19.54113 
1 1 1 -3  -10 3  o 312.179 5.8207  13076.47  486.702   13146.42  688.357   13006.54  688.245   313.015 8.2103  311.342 8.2531  1.672791       11.64140 
1 1 1 -3  -10 4  o 113.628 2.4314  1729.81   73.994    1748.17   104.485   1711.33   104.803   114.233 3.4149  113.022 3.4620  1.210640       4.862754 
1 1 1 -3  -10 5  o 308.635 5.7242  12782.89  473.081   13115.21  669.041   12450.57  669.035   312.655 7.9891  304.615 8.1999  8.039886       11.44831 
1 1 1 -3  -10 6  o 410.087 7.5356  22595.04  827.715   22475.34  1170.21   22714.88  1170.92   408.997 10.682  411.177 10.632  -2.180054      15.07128 
1 1 1 -3  -10 7  o 91.424  2.0610  1119.63   50.462    1093.80   71.124    1145.81   71.608    90.362  2.9386  92.486  2.8907  -2.123940      4.122038 
1 1 1 -3  -10 8  o 104.252 2.2290  1455.98   62.240    1462.18   87.843    1449.74   88.200    104.474 3.1391  104.029 3.1654  0.4457932      4.457984 
1 1 1 -3  -10 9  o 232.410 4.3823  7241.77   272.803   7245.57   385.706   7237.96   385.898   232.471 6.1944  232.349 6.2007  0.1224518      8.764681 
1 1 1 -3  -10 10 o 175.570 3.4006  4131.10   159.904   4196.67   226.257   4065.67   226.019   176.962 4.7735  174.177 4.8447  2.785599       6.801241 
1 1 1 -3  -10 11 o 103.530 2.2974  1435.80   63.700    1468.57   90.463    1403.57   89.713    104.701 3.2257  102.358 3.2722  2.343651       4.594882 
1 1 1 -3  -10 12 o 165.089 3.3068  3652.29   146.221   3684.16   207.464   3620.83   206.118   165.805 4.6715  164.374 4.6816  1.431473       6.613648 
1 1 1 -3  -10 13 o 103.535 2.3031  1435.51   63.844    1492.84   91.195    1380.40   89.408    105.562 3.2253  101.508 3.2884  4.053902       4.606147 
1 1 1 -3  -10 14 o 344.608 6.4023  15947.50  590.931   16099.90  836.824   15795.92  834.585   346.253 9.0230  342.962 9.0852  3.290802       12.80453 
1 1 1 -3  -10 15 o 255.786 4.8525  8777.08   332.436   8890.77   471.217   8664.42   469.063   257.436 6.8338  254.135 6.8909  3.301834       9.704937 
1 1 1 -3  -10 16 o 357.071 6.6347  17138.31  634.520   16967.78  898.007   17308.34  896.688   355.290 9.4364  358.853 9.3290  -3.562775      13.26940 
1 1 1 -3  -10 17 f 80.313  2.0622  864.078   44.358    879.267   63.103    849.242   62.367    81.010  2.9082  79.615  2.9246  1.395332       4.124445 
1 1 1 -3  -10 18 o 122.231 2.6596  2002.68   87.069    2027.65   123.286   1977.83   122.983   122.992 3.7424  121.471 3.7799  1.521606       5.319146 
1 1 1 -3  -10 19 o 183.018 3.6128  4495.20   177.095   4440.29   250.321   4550.22   250.578   181.897 5.1379  184.139 5.0805  -2.242050      7.225623 
1 1 1 -3  -10 20 o 306.318 5.7795  12649.70  474.188   12586.96  670.248   12712.58  670.958   305.553 8.1895  307.082 8.1574  -1.528900      11.55905 
1 1 1 -3  -10 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -10 22 o 127.092 2.7727  2168.15   94.377    2186.98   132.923   2149.00   134.020   127.651 3.8877  126.533 3.9544  1.118080       5.545348 
1 1 1 -3  -10 23 o 108.147 2.4998  1571.05   72.335    1638.07   101.673   1502.36   102.933   110.490 3.4355  105.803 3.6322  4.687607       4.999546 
1 1 1 -3  -10 24 o 263.801 5.0656  9404.86   357.922   9425.80   505.214   9383.75   507.147   264.103 7.1419  263.499 7.1856  0.6042480      10.13114 
1 1 1 -3  -10 25 o 149.655 3.1397  3010.50   125.848   2978.08   176.958   3043.68   179.011   148.840 4.4388  150.470 4.4416  -1.630112      6.279379 
1 1 1 -3  -10 26 o 194.948 3.8880  5120.83   203.014   5073.61   285.937   5168.82   288.288   194.041 5.5016  195.854 5.4955  -1.813583      7.776094 
1 1 1 -3  -10 27 o 95.639  2.4119  1226.99   61.738    1161.10   86.075    1296.79   88.601    92.994  3.4557  98.284  3.3656  -5.290070      4.823843 
1 1 1 -3  -10 28 o 128.792 2.8707  2230.48   98.994    2265.98   138.865   2193.80   141.161   129.842 3.9929  127.742 4.1257  2.100426       5.741477 
1 1 1 -3  -10 29 o 148.775 3.1872  2979.73   126.993   2991.39   178.357   2967.75   180.859   149.077 4.4667  148.473 4.5478  0.6038666      6.374496 
1 1 1 -3  -10 30 o 54.626  2.1252  401.721   30.943    397.908   42.733    405.924   44.866    54.359  2.9460  54.893  3.0637  -0.5341835     4.250324 
1 1 1 -3  -10 31 o 98.049  2.4882  1292.99   65.336    1268.04   91.433    1319.01   93.395    97.083  3.5162  99.014  3.5216  -1.931389      4.976452 
1 1 1 -3  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -10 33 o 68.502  2.1245  632.894   38.805    619.645   57.331    644.096   52.717    67.820  3.1561  69.183  2.8448  -1.363411      4.248984 
1 1 1 -3  -10 34 o 32.432  2.0815  141.362   17.686    153.225   27.529    133.024   23.078    33.562  3.0972  31.302  2.7816  2.259722       4.162930 
1 1 1 -3  -10 35 o 103.701 2.4761  1453.26   68.674    1554.05   100.298   1364.29   94.225    107.078 3.4970  100.325 3.5065  6.753410       4.952240 
1 1 1 -3  -10 36 o 74.888  2.1903  758.625   43.790    776.210   64.924    743.950   59.311    75.652  3.2041  74.124  2.9874  1.527946       4.380696 
1 1 1 -3  -10 37 o 51.290  2.0694  356.479   28.075    368.997   42.855    347.067   37.158    52.032  3.0888  50.548  2.7549  1.484558       4.138868 
1 1 1 -3  -10 38 o 26.360  2.3928  97.250    15.985    92.334    25.498    100.433   20.518    25.674  3.8246  27.045  2.8765  -1.370541      4.785572 
1 1 1 -3  -10 39 o 44.795  2.1490  276.053   25.169    268.664   39.144    281.261   32.864    44.178  3.3326  45.412  2.7142  -1.234074      4.298036 
1 1 1 -3  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -10 41 o 12.170  2.6660  18.033    12.480    -18.7506  21.342    37.151    15.386    8.2954  3.8764  16.044  3.6611  -7.748244      5.331983 
1 1 1 -3  -10 42 o 13.315  3.2401  21.927    13.404    32.601    23.324    16.665    16.378    15.085  4.9747  11.545  4.1528  3.539173       6.480214 
1 1 1 -3  -10 43 o 24.653  3.1726  105.190   18.679    48.893    30.560    138.768   23.601    17.776  5.6819  31.531  2.8245  -13.75510      6.345166 
1 1 1 -3  -10 44 o 28.292  2.7342  114.351   19.167    127.068   33.208    107.999   23.471    29.112  4.3957  27.473  3.2528  1.638979       5.468369 
1 1 1 -3  -10 45 o 21.968  3.2227  76.398    17.466    69.927    30.029    79.705    21.471    20.657  5.3756  23.280  3.5562  -2.622898      6.445490 
1 1 1 -3  -10 46 o 22.773  3.2730  79.034    18.246    90.796    32.347    73.544    22.097    23.495  5.2698  22.050  3.8833  1.445196       6.546032 
1 1 1 -3  -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -10 48 o 23.068  3.6085  95.848    20.676    73.414    37.018    106.020   24.927    19.651  6.2506  26.484  3.6078  -6.832676      7.217038 
1 1 1 -3  -10 49 o 20.760  3.6894  71.300    19.237    95.151    35.119    61.074    22.994    22.494  5.7935  19.025  4.5697  3.468657       7.378811 
1 1 1 -3  -9  1  o 146.179 2.9829  2863.15   116.787   2896.72   165.510   2829.86   164.815   147.033 4.2026  145.325 4.2342  1.707413       5.965740 
1 1 1 -3  -9  2  o 618.151 11.328  51553.75  1875.66   51735.03  2652.89   51372.55  2652.28   619.245 15.994  617.057 16.047  2.188232       22.65700 
1 1 1 -3  -9  3  o 434.556 7.9806  25387.53  928.703   26012.07  1313.83   24763.84  1312.94   439.918 11.150  429.194 11.421  10.72302       15.96128 
1 1 1 -3  -9  4  o 149.084 2.9873  2978.14   119.289   2964.54   168.487   2991.80   168.916   148.742 4.2290  149.425 4.2204  -0.6826172     5.974687 
1 1 1 -3  -9  5  o 350.196 6.5057  16465.55  610.215   16611.76  862.848   16319.26  863.101   351.755 9.1581  348.636 9.2427  3.118683       13.01148 
1 1 1 -3  -9  6  o 199.396 3.7800  5329.26   201.876   5363.42   285.290   5295.00   285.701   200.036 5.3246  198.755 5.3667  1.281479       7.559937 
1 1 1 -3  -9  7  o 745.492 13.705  75261.91  2736.33   73983.11  3868.56   76542.27  3870.94   739.086 19.542  751.898 19.221  -12.81134      27.41017 
1 1 1 -3  -9  8  o 390.155 7.1976  20448.67  752.149   20304.88  1063.50   20592.55  1063.90   388.779 10.213  391.531 10.145  -2.752350      14.39512 
1 1 1 -3  -9  9  o 335.606 6.2482  15118.78  561.653   15195.57  794.406   15042.04  794.188   336.460 8.8150  334.752 8.8575  1.707672       12.49635 
1 1 1 -3  -9  10 o 294.359 5.5239  11624.87  435.524   11670.86  616.249   11578.97  615.600   294.941 7.8007  293.777 7.8233  1.164856       11.04784 
1 1 1 -3  -9  11 o 217.216 4.1727  6326.04   242.693   6528.72   343.983   6125.14   342.460   220.684 5.8194  213.749 5.9816  6.935684       8.345345 
1 1 1 -3  -9  12 o 183.236 3.5809  4499.70   175.743   4548.75   249.366   4451.29   247.718   184.228 5.0535  182.243 5.0748  1.984772       7.161798 
1 1 1 -3  -9  13 o 182.204 3.5537  4449.37   173.426   4454.49   246.188   4444.32   244.345   182.308 5.0416  182.101 5.0096  0.2072449      7.107337 
1 1 1 -3  -9  14 o 419.989 7.7751  23714.12  874.489   23209.34  1237.21   24218.09  1236.22   415.505 11.117  424.473 10.873  -8.968445      15.55017 
1 1 1 -3  -9  15 f 243.816 4.6397  7972.53   302.999   8014.28   429.200   7931.06   427.815   244.453 6.5550  243.180 6.5681  1.273193       9.279457 
1 1 1 -3  -9  16 o 350.991 6.5467  16552.95  615.326   16135.18  870.110   16970.89  870.294   346.546 9.3740  355.436 9.1415  -8.889191      13.09343 
1 1 1 -3  -9  17 o 65.342  1.9188  571.997   33.582    568.688   47.534    575.294   47.451    65.154  2.7238  65.531  2.7034  -0.3775101     3.837594 
1 1 1 -3  -9  18 o 259.034 4.9246  9008.93   341.673   8952.60   482.898   9065.41   483.499   258.221 6.9819  259.846 6.9469  -1.625061      9.849175 
1 1 1 -3  -9  19 o 117.798 2.6057  1860.49   82.196    1899.66   115.937   1820.92   116.550   119.046 3.6360  116.550 3.7335  2.495934       5.211422 
1 1 1 -3  -9  20 o 34.534  1.8445  160.869   16.916    168.412   23.845    153.225   24.002    35.361  2.5344  33.708  2.6806  1.653088       3.689021 
1 1 1 -3  -9  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -9  22 o 99.805  2.3810  1335.88   63.644    1323.77   89.328    1348.37   90.701    99.346  3.3570  100.264 3.3774  -0.9179382     4.761913 
1 1 1 -3  -9  23 o 192.796 3.8232  5000.53   197.422   5015.40   278.308   4985.46   280.094   193.088 5.3812  192.503 5.4322  0.5854340      7.646338 
1 1 1 -3  -9  24 o 150.291 3.1387  3034.87   126.319   2941.75   177.637   3130.13   179.663   147.954 4.4825  152.628 4.3948  -4.673843      6.277469 
1 1 1 -3  -9  25 o 78.090  2.1572  818.463   45.090    829.922   62.902    806.352   64.670    78.655  2.9857  77.524  3.1144  1.130646       4.314393 
1 1 1 -3  -9  26 o 99.905  2.4373  1339.55   65.213    1317.70   91.359    1362.26   93.117    99.075  3.4427  100.736 3.4511  -1.660851      4.874641 
1 1 1 -3  -9  27 o 90.160  2.3757  1095.35   57.141    1187.90   79.931    998.623   81.717    94.081  3.1719  86.238  3.5377  7.842636       4.751476 
1 1 1 -3  -9  28 o 72.437  2.1926  703.693   42.522    687.254   59.073    721.371   61.257    71.560  3.0820  73.313  3.1195  -1.752846      4.385190 
1 1 1 -3  -9  29 o 171.952 3.5434  3983.80   163.160   3866.48   229.361   4103.99   232.150   169.380 5.0556  174.525 4.9662  -5.144165      7.086726 
1 1 1 -3  -9  30 o 51.977  2.0098  363.389   27.755    367.359   41.297    360.119   37.482    52.224  2.9645  51.730  2.7146  0.4946251      4.019665 
1 1 1 -3  -9  31 o 11.475  2.8894  12.539    11.217    24.223    18.354    5.5729    14.172    13.619  4.4087  9.3303  3.7360  4.288360       5.778777 
1 1 1 -3  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -9  33 o 96.128  2.4051  1243.57   61.847    1289.50   90.300    1202.98   84.880    97.788  3.4476  94.468  3.3545  3.320503       4.810249 
1 1 1 -3  -9  34 o 61.988  2.0683  515.695   34.181    539.960   51.305    496.327   45.835    63.280  3.0270  60.697  2.8193  2.583138       4.136582 
1 1 1 -3  -9  35 o 10.224  2.5383  9.4283    10.154    -9.8803   16.004    22.440    13.138    7.7297  3.5185  12.719  3.6596  -4.989136      5.076649 
1 1 1 -3  -9  36 o 17.076  2.8147  43.717    12.769    27.714    20.128    54.494    16.518    14.352  4.6138  19.801  3.2255  -5.448684      5.629472 
1 1 1 -3  -9  37 o 37.557  2.2991  202.200   21.684    153.556   33.494    237.300   28.451    33.298  3.8248  41.817  2.5524  -8.518566      4.598280 
1 1 1 -3  -9  38 o 55.115  2.1482  415.961   31.202    400.900   47.664    427.256   41.275    54.110  3.3045  56.119  2.7459  -2.008595      4.296473 
1 1 1 -3  -9  39 o 64.194  2.2103  561.961   37.629    574.879   57.181    552.094   49.975    64.729  3.3091  63.658  2.9310  1.070850       4.420512 
1 1 1 -3  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -9  41 o 16.616  2.5051  23.550    13.024    90.701    23.376    -6.6775   15.684    25.347  3.5397  7.8836  3.5459  17.46383       5.010296 
1 1 1 -3  -9  42 o 13.508  3.2134  21.955    13.435    37.475    23.085    14.007    16.520    15.944  4.9167  11.071  4.1388  4.872459       6.426779 
1 1 1 -3  -9  43 o 37.255  2.4848  201.031   23.355    182.757   37.980    212.143   29.616    35.494  4.0684  39.016  2.8538  -3.521679      4.969521 
1 1 1 -3  -9  44 o 32.560  2.5480  152.591   21.094    155.874   34.558    150.641   26.630    32.528  4.0545  32.592  3.0873  -0.6343079E-01 5.096098 
1 1 1 -3  -9  45 f 38.107  2.5113  206.688   24.467    229.637   40.943    193.941   30.515    39.386  3.9336  36.827  3.1229  2.559280       5.022556 
1 1 1 -3  -9  46 o 14.876  3.2616  25.106    14.581    63.219    26.870    9.1980    17.360    19.649  5.0712  10.102  4.1031  9.547024       6.523243 
1 1 1 -3  -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -9  48 o 39.016  3.0035  245.598   28.075    208.679   47.473    265.455   34.816    35.356  5.1653  42.676  3.0663  -7.319511      6.006914 
1 1 1 -3  -9  49 o 21.674  3.6806  90.214    20.547    68.157    38.084    99.270    24.403    18.114  6.3507  25.234  3.7223  -7.120184      7.361207 
1 1 1 -3  -8  1  o 190.877 3.7298  4883.82   190.661   4990.56   269.985   4777.62   269.286   192.960 5.2238  188.795 5.3252  4.164642       7.459587 
1 1 1 -3  -8  2  o 514.626 9.4697  35665.20  1305.15   36332.10  1846.33   34999.13  1845.19   519.460 13.270  509.792 13.513  9.668488       18.93931 
1 1 1 -3  -8  3  o 167.414 4.6906  3766.45   209.740   4081.91   296.076   3448.67   297.161   174.475 6.3355  160.353 6.9187  14.12233       9.381200 
1 1 1 -3  -8  4  o 186.434 5.1047  4663.66   254.837   4768.83   359.246   4557.13   361.554   188.555 7.1132  184.313 7.3236  4.241425       10.20948 
1 1 1 -3  -8  5  o 197.733 5.3649  5245.62   284.130   5251.02   400.201   5240.13   403.460   197.837 7.5523  197.629 7.6219  0.2084503      10.72988 
1 1 1 -3  -8  6  o 151.926 3.0229  3093.74   122.967   3185.88   173.772   3001.34   174.030   154.193 4.2075  149.658 4.3415  4.535049       6.045776 
1 1 1 -3  -8  7  o 434.155 8.0174  25344.52  932.297   25581.88  1318.56   25107.22  1318.37   436.196 11.286  432.115 11.391  4.081482       16.03482 
1 1 1 -3  -8  8  o 568.913 10.441  43638.05  1590.91   43259.98  2249.64   44016.28  2250.12   566.432 14.828  571.394 14.702  -4.962341      20.88103 
1 1 1 -3  -8  9  o 115.822 2.4353  1797.32   75.524    1858.53   107.159   1736.92   106.459   117.782 3.3967  113.862 3.4907  3.920006       4.870589 
1 1 1 -3  -8  10 o 324.658 6.0375  14148.15  524.925   14473.99  743.226   13823.84  741.490   328.396 8.4496  320.921 8.6262  7.474884       12.07502 
1 1 1 -3  -8  11 o 446.727 8.2109  26838.02  982.250   26190.43  1389.41   27485.06  1388.81   441.316 11.754  452.137 11.468  -10.82043      16.42174 
1 1 1 -3  -8  12 o 282.360 5.3191  10695.60  402.268   10606.84  569.617   10783.90  568.172   281.189 7.5630  283.531 7.4815  -2.342346      10.63825 
1 1 1 -3  -8  13 o 387.145 7.1589  20133.95  742.255   20537.36  1050.75   19732.14  1048.67   391.026 10.032  383.264 10.215  7.762878       14.31786 
1 1 1 -3  -8  14 o 223.616 4.2821  6704.09   256.474   6690.51   363.069   6717.61   362.350   223.390 6.0679  223.843 6.0436  -0.4530487     8.564144 
1 1 1 -3  -8  15 f 265.028 5.0196  9421.59   356.323   9379.42   503.980   9463.74   503.853   264.434 7.1155  265.622 7.0819  -1.188019      10.03912 
1 1 1 -3  -8  16 o 232.096 4.4496  7223.89   276.615   7213.63   390.977   7234.17   391.409   231.931 6.2937  232.261 6.2917  -0.3300781     8.899181 
1 1 1 -3  -8  17 o 84.051  2.1369  946.587   48.101    959.848   67.779    933.133   68.274    84.644  2.9896  83.457  3.0542  1.186859       4.273841 
1 1 1 -3  -8  18 o 167.745 3.3862  3772.54   152.136   3797.23   214.656   3747.62   215.653   168.298 4.7618  167.193 4.8156  1.104813       6.772356 
1 1 1 -3  -8  19 o 237.328 4.5636  7561.85   290.096   7587.24   409.604   7536.30   410.916   237.730 6.4327  236.926 6.4752  0.8032532      9.127266 
1 1 1 -3  -8  20 o 231.049 4.4451  7171.71   275.075   7246.44   388.328   7096.44   389.706   232.263 6.2421  229.836 6.3304  2.426422       8.890295 
1 1 1 -3  -8  21 o 147.405 3.0795  2915.27   121.580   2871.51   171.176   2959.82   172.714   146.288 4.3686  148.522 4.3416  -2.234406      6.159081 
1 1 1 -3  -8  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -8  23 o 196.100 3.8836  5173.27   203.976   5201.63   287.736   5144.61   289.202   196.645 5.4629  195.555 5.5213  1.090164       7.767133 
1 1 1 -3  -8  24 o 167.255 3.4256  3762.35   153.406   3859.67   216.247   3663.77   217.658   169.443 4.7647  165.066 4.9230  4.377014       6.851126 
1 1 1 -3  -8  25 o 161.508 3.3385  3508.21   144.400   3556.03   203.397   3459.62   205.036   162.625 4.6695  160.391 4.7727  2.233978       6.677014 
1 1 1 -3  -8  26 o 45.162  1.9919  274.423   23.956    269.446   33.121    279.883   34.691    44.735  2.7779  45.589  2.8554  -0.8546638     3.983750 
1 1 1 -3  -8  27 o 132.549 3.5205  2349.86   118.385   2318.23   145.243   2412.45   204.340   131.335 4.1288  133.762 5.7034  -2.427719      7.040995 
1 1 1 -3  -8  28 o 374.930 7.1301  19246.64  715.994   19053.12  1014.41   19438.76  1010.73   372.995 10.154  376.865 10.013  -3.870483      14.26029 
1 1 1 -3  -8  29 o 53.637  1.9911  384.950   28.409    412.971   42.358    362.040   38.301    55.402  2.8642  51.872  2.7667  3.529671       3.982252 
1 1 1 -3  -8  30 o 109.425 2.5221  1605.38   73.697    1790.73   106.929   1437.68   101.712   115.438 3.4583  103.412 3.6721  12.02586       5.044163 
1 1 1 -3  -8  31 o 91.087  2.2865  1110.64   55.605    1244.58   81.306    992.949   76.216    96.233  3.1544  85.940  3.3110  10.29242       4.573062 
1 1 1 -3  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -8  33 o 68.310  2.1013  622.640   38.245    718.714   56.922    543.583   51.636    73.079  2.9080  63.541  3.0339  9.538036       4.202520 
1 1 1 -3  -8  34 o 68.284  2.1021  624.441   38.314    680.758   57.141    578.438   51.643    71.058  3.0022  65.509  2.9432  5.548927       4.204273 
1 1 1 -3  -8  35 o 112.470 2.6640  1716.19   80.149    1739.14   116.690   1695.69   110.277   113.148 3.8503  111.793 3.6828  1.355064       5.328063 
1 1 1 -3  -8  36 o 47.001  2.0558  298.849   25.508    308.248   39.110    291.892   33.649    47.604  3.0839  46.399  2.7195  1.204811       4.111670 
1 1 1 -3  -8  37 o 27.399  2.4125  106.648   16.530    92.033    26.347    116.135   21.228    25.639  3.9644  29.160  2.7504  -3.520769      4.825046 
1 1 1 -3  -8  38 o 64.432  2.1586  561.539   37.020    594.055   56.144    536.528   49.241    66.031  3.1744  62.833  2.9258  3.197884       4.317132 
1 1 1 -3  -8  39 o 55.402  2.1375  416.217   31.294    444.927   48.303    395.450   41.081    56.978  3.1777  53.825  2.8597  3.153023       4.275000 
1 1 1 -3  -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -8  41 o 42.412  2.2537  250.416   24.770    244.317   39.338    254.423   31.884    41.810  3.5462  43.014  2.7823  -1.204041      4.507370 
1 1 1 -3  -8  42 o 26.160  2.6716  92.291    17.593    123.243   29.814    75.754    21.792    29.330  3.8911  22.989  3.6619  6.340818       5.343233 
1 1 1 -3  -8  43 o 18.450  3.2115  47.320    15.155    67.824    26.539    37.399    18.461    21.094  4.8045  15.805  4.2629  5.288868       6.423009 
1 1 1 -3  -8  44 o 21.087  3.2764  71.039    17.432    58.696    29.301    77.801    21.688    19.101  5.4559  23.073  3.6292  -3.972054      6.552717 
1 1 1 -3  -8  45 o 19.351  3.3101  55.283    16.326    73.812    28.223    45.965    20.014    21.492  4.9974  17.209  4.3421  4.282377       6.620217 
1 1 1 -3  -8  46 o 19.435  3.4771  59.279    17.125    66.803    30.861    55.932    20.585    19.854  5.5745  19.016  4.1575  0.8378983      6.954113 
1 1 1 -3  -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -8  48 o 22.111  3.6236  87.671    20.023    71.194    36.761    94.621    23.876    19.305  6.2382  24.917  3.6889  -5.611763      7.247241 
1 1 1 -3  -8  49 o 11.629  3.3676  16.996    15.168    19.572    30.211    16.128    17.539    12.402  5.2540  10.857  4.2140  1.544884       6.735188 
1 1 1 -3  -7  1  o 382.161 10.040  19687.40  1027.36   20331.27  1454.70   19046.69  1451.11   388.433 13.982  375.890 14.413  12.54346       20.08052 
1 1 1 -3  -7  2  o 243.048 4.6103  7922.22   300.105   7808.78   424.308   8035.77   424.517   241.304 6.5649  244.791 6.4746  -3.486588      9.220509 
1 1 1 -3  -7  3  o 114.540 2.4253  1757.66   74.406    1746.24   105.031   1769.15   105.422   114.167 3.4347  114.914 3.4251  -0.7465286     4.850585 
1 1 1 -3  -7  4  o 509.257 9.3438  34936.14  1273.97   33728.84  1800.53   36146.51  1802.82   500.397 13.434  518.117 12.991  -17.72076      18.68756 
1 1 1 -3  -7  5  o 308.995 5.7519  12814.32  476.033   12934.97  673.093   12693.59  673.331   310.453 8.0945  307.536 8.1742  2.916687       11.50381 
1 1 1 -3  -7  6  o 179.075 3.4566  4297.95   165.794   4277.38   234.331   4318.57   234.606   178.645 4.8972  179.504 4.8795  -0.8586578     6.913185 
1 1 1 -3  -7  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -7  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -7  9  o 376.629 9.8769  19122.54  995.571   18217.09  1406.43   20031.93  1409.48   367.636 14.283  385.621 13.646  -17.98517      19.75375 
1 1 1 -3  -7  10 o 380.902 7.0383  19491.82  718.017   19213.50  1016.05   19769.47  1014.81   378.176 10.031  383.627 9.8761  -5.450897      14.07669 
1 1 1 -3  -7  11 o 245.321 4.6637  8072.24   306.371   7881.40   433.830   8262.10   432.719   242.424 6.6812  248.218 6.5085  -5.794708      9.327356 
1 1 1 -3  -7  12 o 390.866 7.2495  20525.70  758.935   20317.42  1073.65   20733.71  1072.94   388.878 10.308  392.855 10.197  -3.977112      14.49893 
1 1 1 -3  -7  13 o 358.973 6.6626  17303.52  640.584   17112.90  905.917   17494.14  905.929   356.991 9.4742  360.956 9.3702  -3.965027      13.32523 
1 1 1 -3  -7  14 o 436.724 8.0619  25640.30  943.051   25569.20  1333.41   25711.46  1333.94   436.116 11.415  437.332 11.388  -1.215546      16.12389 
1 1 1 -3  -7  15 f 340.047 6.3669  15523.68  579.896   15413.07  819.665   15634.52  820.529   338.832 9.0316  341.262 8.9767  -2.430450      12.73383 
1 1 1 -3  -7  16 o 376.135 6.9742  19006.19  702.630   19065.90  993.205   18946.37  994.132   376.729 9.8429  375.541 9.8832  1.187592       13.94845 
1 1 1 -3  -7  17 o 182.030 3.6198  4441.61   176.485   4409.12   248.977   4474.43   250.202   181.361 5.1254  182.700 5.1129  -1.338821      7.239546 
1 1 1 -3  -7  18 o 234.715 4.5013  7390.55   282.970   7283.38   399.457   7498.50   400.907   233.005 6.4005  236.426 6.3308  -3.420181      9.002544 
1 1 1 -3  -7  19 o 225.568 4.3531  6827.98   262.991   6730.91   371.233   6925.77   372.623   223.957 6.1886  227.180 6.1237  -3.223434      8.706203 
1 1 1 -3  -7  20 o 295.208 5.5877  11723.81  441.782   11904.62  624.322   11542.48  625.227   297.499 7.8349  292.917 7.9690  4.581757       11.17547 
1 1 1 -3  -7  21 o 203.628 4.0025  5570.48   218.275   5653.83   308.138   5486.53   309.241   205.163 5.6073  202.094 5.7129  3.069580       8.004951 
1 1 1 -3  -7  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -7  23 o 340.079 6.4357  15673.38  586.226   15670.99  828.310   15675.78  829.789   340.056 9.0940  340.102 9.1090  -0.4541016E-01 12.87142 
1 1 1 -3  -7  24 o 214.071 4.2142  6172.85   241.635   6158.46   340.905   6187.37   342.547   213.822 5.9524  214.320 5.9672  -0.4982147     8.428408 
1 1 1 -3  -7  25 o 178.074 3.5359  4266.06   168.475   4527.22   240.029   4012.46   236.528   183.464 4.8845  172.684 5.1138  10.78050       7.071737 
1 1 1 -3  -7  26 o 105.999 2.4547  1507.48   69.670    1538.99   100.141   1477.92   96.991    107.071 3.4918  104.928 3.4510  2.142937       4.909430 
1 1 1 -3  -7  27 o 233.756 4.5510  7380.52   284.932   7369.92   404.848   7390.93   401.087   233.579 6.4710  233.933 6.4011  -0.3541870     9.102092 
1 1 1 -3  -7  28 o 39.617  2.0512  210.028   21.524    230.955   32.283    193.281   28.880    41.386  2.9313  37.848  2.8702  3.537910       4.102481 
1 1 1 -3  -7  29 o 60.577  2.0220  490.880   32.732    514.015   48.332    471.280   44.487    61.889  2.9156  59.265  2.8025  2.623955       4.044078 
1 1 1 -3  -7  30 o 20.335  2.7294  61.557    13.830    40.165    21.624    76.365    17.991    16.993  4.6264  23.676  2.8976  -6.682138      5.458888 
1 1 1 -3  -7  31 o 137.116 2.9337  2529.64   107.620   2707.94   155.108   2364.13   149.445   141.782 4.0844  132.451 4.2125  9.330566       5.867444 
1 1 1 -3  -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -7  33 o 54.815  2.0788  405.028   30.263    410.831   45.192    400.310   40.748    55.152  3.0714  54.478  2.8020  0.6739082      4.157513 
1 1 1 -3  -7  34 o 40.675  2.0406  223.337   21.889    229.369   33.446    218.818   28.949    41.129  3.0579  40.222  2.7028  0.9072075      4.081148 
1 1 1 -3  -7  35 o 78.407  2.2027  825.675   46.106    906.422   68.585    759.098   62.277    81.878  3.1273  74.935  3.1028  6.943306       4.405379 
1 1 1 -3  -7  36 o 77.397  2.2714  816.815   46.720    771.493   69.380    854.419   63.197    75.352  3.4376  79.443  2.9700  -4.091202      4.542864 
1 1 1 -3  -7  37 o 52.956  2.0699  373.508   28.933    445.237   44.923    322.661   37.822    57.218  2.9411  48.693  2.9133  8.525024       4.139764 
1 1 1 -3  -7  38 o 36.929  2.1574  183.146   20.852    208.325   33.015    166.436   26.896    38.975  3.1905  34.883  2.9050  4.091473       4.314893 
1 1 1 -3  -7  39 o 38.471  2.2091  200.622   22.151    217.595   35.395    189.694   28.400    39.723  3.3582  37.219  2.8710  2.503593       4.418155 
1 1 1 -3  -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -7  41 o 15.186  3.1423  34.024    13.490    28.151    22.456    37.341    16.874    14.351  4.8834  16.021  3.9559  -1.669627      6.284623 
1 1 1 -3  -7  42 o 20.835  3.1739  61.409    16.624    76.963    28.213    53.137    20.574    22.674  4.7953  18.995  4.1591  3.679205       6.347723 
1 1 1 -3  -7  43 o 28.625  2.6670  113.748   19.229    135.999   32.787    102.081   23.742    30.507  4.1177  26.743  3.3907  3.764452       5.334015 
1 1 1 -3  -7  44 o 22.164  3.2350  79.029    17.585    63.581    30.397    86.800    21.558    19.812  5.5217  24.516  3.3723  -4.704111      6.470055 
1 1 1 -3  -7  45 o 8.6698  2.6943  -1.4384   12.117    -25.2467  23.990    6.7163    14.040    8.2289  3.9235  9.1108  3.6936  -0.8819246     5.388574 
1 1 1 -3  -7  46 o 12.857  3.3240  23.963    15.284    7.1535    28.557    30.711    18.094    11.639  5.0230  14.076  4.3549  -2.436738      6.648001 
1 1 1 -3  -7  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -7  48 o 12.833  3.5577  19.266    15.983    38.825    31.488    12.477    18.551    15.080  5.6980  10.585  4.2616  4.495251       7.115400 
1 1 1 -3  -7  49 o 9.0745  2.9584  -3.6380   14.663    -9.6185   30.220    -1.7966   16.769    9.9195  4.6277  8.2296  3.6867  1.689946       5.916718 
1 1 1 -3  -6  1  o 229.340 4.3757  7053.14   268.788   7104.38   380.339   7002.02   379.908   230.173 6.1692  228.507 6.2071  1.665970       8.751411 
1 1 1 -3  -6  2  o 343.349 6.3603  15832.52  584.893   15626.15  826.900   16039.15  827.428   341.104 9.0506  345.594 8.9387  -4.490204      12.72061 
1 1 1 -3  -6  3  o 234.792 4.4385  7393.00   279.127   7423.40   394.564   7362.56   394.928   235.276 6.2611  234.308 6.2928  0.9677887      8.876966 
1 1 1 -3  -6  4  o 306.271 5.6792  12590.70  465.875   12686.72  658.720   12494.61  658.973   307.442 7.9992  305.100 8.0638  2.342102       11.35835 
1 1 1 -3  -6  5  o 256.188 4.7809  8803.95   328.041   8674.95   463.649   8933.24   464.191   254.306 6.8068  258.070 6.7154  -3.763657      9.561852 
1 1 1 -3  -6  6  o 348.138 6.4765  16278.22  603.921   16302.71  854.091   16253.74  854.057   348.401 9.1524  347.876 9.1659  0.5251160      12.95298 
1 1 1 -3  -6  7  o 102.502 2.2397  1407.56   61.491    1410.49   87.180    1404.66   86.745    102.608 3.1721  102.396 3.1628  0.2123184      4.479446 
1 1 1 -3  -6  8  o 302.899 5.6289  12313.72  456.598   12604.15  646.570   12024.81  644.888   306.469 7.8766  299.330 8.0435  7.139130       11.25786 
1 1 1 -3  -6  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -6  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -6  11 o 607.584 11.139  49823.91  1812.70   49711.41  2563.81   49936.38  2563.27   606.893 15.772  608.276 15.733  -1.383362      22.27719 
1 1 1 -3  -6  12 o 534.589 9.8446  38506.36  1409.33   37562.53  1992.23   39451.81  1993.95   527.994 14.087  541.185 13.756  -13.19165      19.68918 
1 1 1 -3  -6  13 o 178.524 3.5485  4272.73   169.617   4400.74   239.618   4144.17   240.133   181.207 4.9369  175.841 5.0985  5.365921       7.097019 
1 1 1 -3  -6  14 o 415.981 7.6935  23255.12  857.210   23317.90  1211.83   23192.24  1212.72   416.546 10.862  415.417 10.899  1.128815       15.38708 
1 1 1 -3  -6  15 o 437.664 8.0622  25757.30  944.742   24897.71  1334.85   26620.02  1337.28   430.319 11.581  445.008 11.219  -14.68900      16.12444 
1 1 1 -3  -6  16 o 81.234  2.1392  884.060   46.541    887.891   65.479    880.148   66.165    81.412  3.0028  81.056  3.0476  0.3560867      4.278366 
1 1 1 -3  -6  17 o 52.062  1.8676  363.582   25.991    364.301   36.393    362.834   37.132    52.150  2.6054  51.975  2.6764  0.1743813      3.735129 
1 1 1 -3  -6  18 o 406.769 7.5474  22259.78  822.247   21945.43  1162.11   22574.92  1163.56   403.881 10.742  409.656 10.604  -5.775391      15.09472 
1 1 1 -3  -6  19 o 335.434 6.2854  15127.85  564.703   14992.05  797.984   15264.08  799.238   333.921 8.9220  336.946 8.8558  -3.025726      12.57086 
1 1 1 -3  -6  20 o 341.670 6.4142  15721.52  586.945   15951.21  829.659   15491.39  830.471   344.184 8.9995  339.157 9.1419  5.026276       12.82830 
1 1 1 -3  -6  21 o 86.493  2.2130  1002.44   51.255    970.297   71.832    1035.78   73.156    85.080  3.1521  87.905  3.1070  -2.825096      4.425984 
1 1 1 -3  -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -6  23 o 285.104 5.3831  10975.01  411.035   11197.64  582.830   10754.71  579.765   287.998 7.5555  282.210 7.6699  5.787872       10.76630 
1 1 1 -3  -6  24 o 107.602 2.4566  1552.64   70.778    1601.19   101.555   1506.77   98.697    109.237 3.4709  105.967 3.4773  3.270195       4.913157 
1 1 1 -3  -6  25 o 86.325  2.3044  1011.38   52.610    846.122   75.614    1166.45   73.245    79.395  3.5556  93.254  2.9324  -13.85897      4.608842 
1 1 1 -3  -6  26 o 132.523 2.9223  2366.80   103.405   2185.68   147.772   2540.59   144.748   127.519 4.3264  137.527 3.9295  -10.00758      5.844532 
1 1 1 -3  -6  27 o 140.791 3.0523  2672.26   114.766   2477.47   164.063   2858.93   160.601   135.728 4.5129  145.855 4.1109  -10.12679      6.104554 
1 1 1 -3  -6  28 o 86.110  2.2465  993.244   51.760    1040.40   75.308    951.024   71.259    88.042  3.1934  84.178  3.1605  3.864616       4.492966 
1 1 1 -3  -6  29 o 63.261  2.0302  534.003   34.304    583.109   50.791    492.816   46.516    65.920  2.8766  60.602  2.8657  5.317837       4.060423 
1 1 1 -3  -6  30 o 108.863 2.5649  1591.27   74.730    1636.90   108.313   1549.81   103.238   110.346 3.6647  107.379 3.5895  2.967201       5.129716 
1 1 1 -3  -6  31 o 88.102  2.2687  1037.16   53.262    1197.46   78.403    899.785   72.580    94.397  3.1009  81.807  3.3124  12.58945       4.537309 
1 1 1 -3  -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -6  33 o 53.622  2.0801  388.985   29.493    381.970   44.570    394.450   39.337    53.159  3.1442  54.085  2.7242  -0.9257507     4.160219 
1 1 1 -3  -6  34 o 96.809  2.4888  1272.45   64.210    1199.70   93.908    1336.32   87.994    94.145  3.7241  99.474  3.3026  -5.328552      4.977537 
1 1 1 -3  -6  35 o 92.611  2.4558  1165.45   60.641    1128.01   89.280    1197.52   82.625    91.167  3.6562  94.055  3.2797  -2.888496      4.911632 
1 1 1 -3  -6  36 o 73.133  2.2732  731.454   44.059    676.484   65.720    776.327   59.378    70.537  3.4785  75.729  2.9274  -5.192291      4.546364 
1 1 1 -3  -6  37 o 18.754  2.8745  49.919    13.632    50.070    22.485    49.831    17.141    18.686  4.5378  18.822  3.5298  -0.1362953     5.748970 
1 1 1 -3  -6  38 o 29.677  2.3648  122.988   17.850    116.033   28.571    127.441   22.861    28.845  3.7897  30.509  2.8298  -1.663568      4.729630 
1 1 1 -3  -6  39 o 67.336  2.3391  631.421   41.246    561.676   62.620    684.865   54.816    63.772  3.6816  70.900  2.8865  -7.128002      4.678291 
1 1 1 -3  -6  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -6  41 o 43.098  2.2863  254.972   25.589    272.401   41.355    244.159   32.573    44.136  3.5277  42.060  2.9092  2.076103       4.572527 
1 1 1 -3  -6  42 o 35.665  2.4792  175.998   22.603    194.486   37.723    165.643   28.232    36.904  3.8741  34.425  3.0948  2.479130       4.958477 
1 1 1 -3  -6  43 o 44.541  2.3492  272.601   27.126    317.000   44.695    246.709   34.132    47.165  3.5643  41.917  3.0612  5.247246       4.698384 
1 1 1 -3  -6  44 o 27.548  3.0911  118.528   20.214    101.199   34.801    127.351   24.833    25.222  5.3188  29.874  3.1510  -4.651665      6.182131 
1 1 1 -3  -6  45 o 16.591  3.4630  36.576    15.755    68.037    29.249    23.717    18.699    20.385  5.3055  12.798  4.4521  7.587550       6.925991 
1 1 1 -3  -6  46 f 16.845  3.5962  39.753    16.623    68.480    30.867    28.017    19.729    20.123  5.5478  13.567  4.5774  6.556318       7.192416 
1 1 1 -3  -6  47 o 22.159  3.5503  80.968    19.352    80.836    35.103    81.026    23.195    21.291  5.9337  23.027  3.8998  -1.736217      7.100576 
1 1 1 -3  -6  48 o 22.092  3.7840  84.607    20.774    88.217    38.561    83.131    24.658    21.313  6.3095  22.870  4.1792  -1.557405      7.568048 
1 1 1 -3  -5  1  o 272.500 5.1305  9965.69   374.365   10240.77  529.768   9691.29   529.097   276.264 7.1593  268.736 7.3506  7.527618       10.26093 
1 1 1 -3  -5  2  o 354.450 6.5452  16879.81  621.387   16798.62  878.541   16961.09  879.007   353.595 9.2761  355.305 9.2364  -1.710693      13.09036 
1 1 1 -3  -5  3  o 324.649 5.9905  14153.68  520.899   14028.81  736.398   14278.73  736.928   323.212 8.5062  326.086 8.4373  -2.873505      11.98098 
1 1 1 -3  -5  4  o 201.704 3.8304  5454.76   206.932   5385.94   292.409   5523.79   292.883   200.428 5.4468  202.979 5.3871  -2.551224      7.660845 
1 1 1 -3  -5  5  o 245.914 4.5959  8111.83   302.710   8030.45   428.039   8193.25   428.153   244.678 6.5313  247.150 6.4677  -2.471573      9.191793 
1 1 1 -3  -5  6  o 290.986 5.4153  11363.95  422.066   11387.29  597.130   11340.65  596.655   291.285 7.6535  290.687 7.6632  0.5979614      10.83055 
1 1 1 -3  -5  7  o 158.910 3.1610  3385.07   134.511   3313.34   190.764   3456.00   189.695   157.234 4.5296  160.586 4.4102  -3.352234      6.321991 
1 1 1 -3  -5  8  o 297.335 5.5486  11865.17  441.879   11995.46  625.602   11735.46  624.222   298.967 7.8124  295.703 7.8812  3.263275       11.09720 
1 1 1 -3  -5  9  o 280.800 5.2624  10579.99  395.757   10419.00  559.959   10740.66  559.410   278.661 7.5022  282.939 7.3816  -4.277191      10.52479 
1 1 1 -3  -5  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -5  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -5  12 o 450.084 8.2785  27247.17  997.909   26784.06  1410.49   27711.28  1412.02   446.239 11.801  453.929 11.614  -7.689209      16.55701 
1 1 1 -3  -5  13 o 404.624 7.5016  22002.23  812.911   21598.87  1148.92   22406.60  1150.35   400.898 10.700  408.349 10.517  -7.451141      15.00317 
1 1 1 -3  -5  14 o 175.234 3.4857  4115.35   163.605   4113.12   230.995   4117.60   231.752   175.186 4.9228  175.281 4.9363  -0.9521484E-01 6.971431 
1 1 1 -3  -5  15 o 100.975 2.3551  1365.89   63.694    1356.32   89.744    1375.59   90.413    100.619 3.3299  101.331 3.3312  -0.7120438     4.710119 
1 1 1 -3  -5  16 o 92.731  2.2672  1151.93   56.312    1146.73   79.265    1157.24   80.014    92.520  3.1986  92.942  3.2141  -0.4228058     4.534493 
1 1 1 -3  -5  17 o 433.576 8.0147  25283.55  930.751   25096.25  1315.69   25471.18  1316.88   431.963 11.371  435.190 11.297  -3.226807      16.02938 
1 1 1 -3  -5  18 o 373.212 6.9435  18723.07  694.083   18569.54  980.891   18877.04  982.274   371.675 9.8530  374.749 9.7860  -3.074097      13.88692 
1 1 1 -3  -5  19 o 191.161 3.7828  4900.72   193.661   4795.40   273.216   5007.06   274.545   189.094 5.3943  193.227 5.3046  -4.132629      7.565590 
1 1 1 -3  -5  20 o 89.951  2.2174  1084.09   53.412    1093.12   76.512    1075.49   74.595    90.316  3.1628  89.585  3.1087  0.7302628      4.434849 
1 1 1 -3  -5  21 o 404.514 7.5807  22138.00  821.350   22132.20  1162.80   22143.77  1160.33   404.457 10.734  404.572 10.708  -0.1155701     15.16130 
1 1 1 -3  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -5  23 o 240.606 4.6404  7799.73   299.049   7862.73   424.524   7737.68   421.333   241.570 6.5610  239.641 6.5641  1.929352       9.280842 
1 1 1 -3  -5  24 o 226.654 4.4556  6927.29   270.358   6713.96   383.806   7137.39   380.899   223.161 6.4210  230.147 6.1790  -6.985809      8.911180 
1 1 1 -3  -5  25 o 165.137 3.4329  3674.57   151.527   3438.19   215.838   3904.30   212.778   159.863 5.0407  170.411 4.6617  -10.54779      6.865827 
1 1 1 -3  -5  26 o 153.047 3.2160  3153.35   131.671   3018.01   187.937   3283.83   184.533   149.799 4.6840  156.295 4.4080  -6.495667      6.431931 
1 1 1 -3  -5  27 o 63.879  2.1738  561.503   36.141    435.905   52.602    673.804   49.739    56.876  3.4695  70.881  2.6199  -14.00523      4.347503 
1 1 1 -3  -5  28 o 106.399 2.4839  1516.52   70.623    1670.26   102.411   1377.10   97.520    111.535 3.4281  101.262 3.5955  10.27290       4.967796 
1 1 1 -3  -5  29 o 115.005 2.7013  1782.89   82.959    1674.51   119.509   1883.69   115.249   111.603 3.9980  118.408 3.6339  -6.805222      5.402644 
1 1 1 -3  -5  30 o 73.765  2.1591  730.997   42.523    726.563   62.593    734.797   57.949    73.549  3.1773  73.981  2.9244  -0.4320374     4.318264 
1 1 1 -3  -5  31 f 153.470 3.2314  3178.38   132.771   3184.65   190.783   3172.49   184.890   153.600 4.6372  153.341 4.5016  0.2590027      6.462848 
1 1 1 -3  -5  32 o 51.617  2.2085  365.525   29.855    312.993   44.432    408.761   40.310    48.084  3.4733  55.150  2.7288  -7.065971      4.417038 
1 1 1 -3  -5  33 o 16.920  2.8925  41.711    12.917    31.622    20.693    48.152    16.534    15.237  4.6474  18.603  3.4450  -3.366736      5.785017 
1 1 1 -3  -5  34 o 40.147  2.0554  217.643   21.707    223.617   33.466    213.303   28.520    40.590  3.1017  39.703  2.6979  0.8873062      4.110816 
1 1 1 -3  -5  35 o 114.837 2.7432  1797.97   84.091    1732.94   122.711   1855.54   115.465   112.790 4.0619  116.885 3.6881  -4.094574      5.486421 
1 1 1 -3  -5  36 f 43.470  2.0819  252.740   23.764    282.394   37.532    232.898   30.701    45.536  3.0956  41.403  2.7846  4.132935       4.163763 
1 1 1 -3  -5  37 o 33.459  2.2273  152.701   19.286    157.338   30.827    149.719   24.722    33.800  3.4536  33.119  2.8135  0.6809349      4.454589 
1 1 1 -3  -5  38 o 30.405  2.4647  132.590   18.718    109.252   29.562    148.209   24.184    27.881  4.0792  32.929  2.7676  -5.047823      4.929470 
1 1 1 -3  -5  39 o 24.260  2.6385  81.068    16.190    90.863    26.500    75.234    20.451    25.328  4.0420  23.193  3.3924  2.135632       5.276967 
1 1 1 -3  -5  40 o 9.3236  2.7892  -0.1501   11.183    9.6309    20.406    -4.3482   13.369    11.165  4.4786  7.4823  3.3259  3.682456       5.578495 
1 1 1 -3  -5  41 o 27.079  2.6641  99.669    18.213    123.537   30.774    86.802    22.595    29.396  4.0133  24.762  3.5046  4.634239       5.328125 
1 1 1 -3  -5  42 o 19.087  3.2763  50.175    15.823    71.487    28.144    40.326    19.133    21.711  4.9496  16.463  4.2941  5.248402       6.552649 
1 1 1 -3  -5  43 o 53.531  2.3582  400.517   32.889    430.481   53.049    381.808   41.917    54.876  3.6297  52.186  3.0116  2.690277       4.716393 
1 1 1 -3  -5  44 o 13.678  3.2351  12.505    14.806    58.257    27.821    -5.5750   17.489    19.025  5.2755  8.3316  3.7462  10.69372       6.470294 
1 1 1 -3  -5  45 o 17.484  3.5545  45.959    16.603    61.158    29.666    39.027    20.035    19.185  5.4931  15.782  4.5128  3.402884       7.109070 
1 1 1 -3  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -5  47 o 16.771  3.4827  51.113    18.179    21.081    33.585    63.559    21.620    13.392  5.5985  20.149  4.1443  -6.757481      6.965463 
1 1 1 -3  -5  48 o 21.264  3.6453  72.597    19.038    96.997    35.802    62.977    22.480    22.919  5.8210  19.609  4.3895  3.310682       7.290504 
1 1 1 -3  -4  1  o 443.959 8.1603  26539.72  970.263   26996.81  1372.58   26083.20  1371.74   447.800 11.444  440.118 11.636  7.681519       16.32053 
1 1 1 -3  -4  2  o 229.050 4.3289  7036.98   265.574   6967.40   375.354   7106.74   375.804   227.915 6.1486  230.186 6.0953  -2.270782      8.657841 
1 1 1 -3  -4  3  o 637.591 11.735  55052.53  2003.98   54786.58  2833.68   55318.61  2834.43   636.034 16.633  639.148 16.557  -3.113525      23.46905 
1 1 1 -3  -4  4  o 328.430 6.0954  14490.48  536.138   14211.32  757.996   14769.96  758.432   325.255 8.7007  331.605 8.5390  -6.349823      12.19083 
1 1 1 -3  -4  5  o 142.512 2.8328  2721.68   108.133   2737.46   153.153   2706.00   152.694   142.924 4.0006  142.100 4.0118  0.8237915      5.665642 
1 1 1 -3  -4  6  o 175.002 3.4141  4105.30   160.030   4090.97   226.839   4119.49   225.797   174.697 4.8478  175.307 4.8087  -0.6091461     6.828246 
1 1 1 -3  -4  7  o 421.196 7.7789  23867.07  877.573   23705.12  1241.40   24028.85  1240.75   419.761 11.041  422.632 10.961  -2.870514      15.55780 
1 1 1 -3  -4  8  o 186.687 3.6500  4672.01   182.511   4702.52   258.237   4641.56   257.981   187.296 5.1475  186.077 5.1761  1.218964       7.299966 
1 1 1 -3  -4  9  o 111.002 2.4460  1650.95   72.693    1590.52   102.451   1712.21   103.159   108.955 3.5106  113.048 3.4069  -4.092430      4.891932 
1 1 1 -3  -4  10 o 141.131 2.9175  2668.95   110.283   2644.32   155.623   2693.79   156.306   140.477 4.1360  141.786 4.1158  -1.308350      5.834924 
1 1 1 -3  -4  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -4  12 o 51.412  1.7546  354.012   24.155    342.716   33.964    365.572   34.360    50.582  2.5069  52.242  2.4555  -1.659634      3.509173 
1 1 1 -3  -4  13 o 465.801 8.6050  29191.43  1073.44   28599.92  1517.31   29784.14  1518.85   461.057 12.287  470.546 12.051  -9.489563      17.21009 
1 1 1 -3  -4  14 o 106.766 2.4314  1527.12   69.514    1481.30   97.923    1573.67   98.696    105.151 3.4768  108.381 3.3998  -3.229904      4.862837 
1 1 1 -3  -4  15 o 149.084 3.0798  2978.19   122.981   2949.99   173.517   3006.66   174.330   148.375 4.3661  149.793 4.3450  -1.418640      6.159687 
1 1 1 -3  -4  16 o 115.058 2.5801  1773.57   79.513    1762.35   112.025   1784.96   112.878   114.691 3.6467  115.424 3.6511  -0.7332764     5.160296 
1 1 1 -3  -4  17 o 232.876 4.4872  7272.91   279.874   7360.65   395.437   7184.85   396.166   234.286 6.3015  231.467 6.3900  2.819138       8.974432 
1 1 1 -3  -4  18 o 131.304 2.8471  2318.01   99.731    2094.28   141.794   2537.04   140.299   125.008 4.2348  137.599 3.8067  -12.59019      5.694247 
1 1 1 -3  -4  19 o 109.460 2.6588  1634.16   76.095    1235.05   108.194   2024.83   107.044   95.990  4.2081  122.929 3.2510  -26.93885      5.317622 
1 1 1 -3  -4  20 o 93.909  2.2530  1180.95   56.648    1225.05   81.337    1139.42   78.941    95.610  3.1761  92.207  3.1963  3.402397       4.506028 
1 1 1 -3  -4  21 o 251.465 4.8339  8510.09   325.303   8131.68   461.125   8884.98   458.977   245.870 7.0020  257.059 6.6660  -11.18907      9.667707 
1 1 1 -3  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -4  23 o 169.610 3.4406  3866.00   156.284   3844.37   222.585   3887.02   219.485   169.136 4.9133  170.083 4.8179  -0.9467316     6.881270 
1 1 1 -3  -4  24 o 146.824 3.0404  2894.53   119.534   2991.95   170.826   2801.07   167.322   149.246 4.2733  144.402 4.3260  4.844482       6.080752 
1 1 1 -3  -4  25 o 97.676  2.3454  1279.15   60.876    1506.41   88.205    1072.41   84.125    105.966 3.1077  89.386  3.5137  16.57973       4.690822 
1 1 1 -3  -4  26 o 103.916 2.4475  1448.39   68.091    1486.07   98.190    1413.48   94.506    105.215 3.4842  102.617 3.4384  2.598839       4.895084 
1 1 1 -3  -4  27 f 31.078  2.2462  129.338   18.216    158.610   27.349    105.998   24.421    34.251  3.0117  27.904  3.3334  6.346493       4.492423 
1 1 1 -3  -4  28 o 90.107  2.3371  1093.40   56.214    1033.93   81.466    1147.45   77.667    87.750  3.4661  92.464  3.1360  -4.713638      4.674212 
1 1 1 -3  -4  29 o 107.424 2.5577  1551.78   73.480    1524.43   106.377   1576.74   101.618   106.507 3.7289  108.341 3.5018  -1.833847      5.115401 
1 1 1 -3  -4  30 o 115.815 2.6466  1801.82   82.039    1854.98   118.859   1753.45   113.376   117.440 3.7786  114.189 3.7069  3.250099       5.293257 
1 1 1 -3  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -4  32 o 103.001 2.5188  1429.30   69.353    1436.67   101.414   1422.83   95.054    103.230 3.6678  102.771 3.4531  0.4595032      5.037509 
1 1 1 -3  -4  33 o 23.048  2.5805  75.743    14.823    63.402    23.286    84.149    19.219    21.271  4.2361  24.826  2.9480  -3.555000      5.160920 
1 1 1 -3  -4  34 o 42.957  2.1699  256.641   24.089    214.901   36.629    288.451   31.976    39.708  3.4791  46.206  2.5942  -6.498650      4.339798 
1 1 1 -3  -4  35 o 83.591  2.3244  944.662   51.824    969.549   77.325    924.367   69.828    84.550  3.4144  82.632  3.1549  1.917740       4.648860 
1 1 1 -3  -4  36 o 7.3444  2.2394  -7.1615   9.3365    -31.1798  15.423    6.7307    11.730    5.8314  2.8635  8.8574  3.4439  -3.026044      4.478859 
1 1 1 -3  -4  37 o 76.986  2.3528  814.619   47.910    755.446   72.077    861.458   64.127    74.338  3.6199  79.634  3.0064  -5.296440      4.705566 
1 1 1 -3  -4  38 o 26.121  2.6422  98.538    16.899    84.907    27.834    106.496   21.268    24.402  4.4214  27.841  2.8943  -3.439089      5.284461 
1 1 1 -3  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -4  40 o 39.225  2.3587  213.907   23.787    212.480   38.506    214.788   30.249    38.942  3.7376  39.508  2.8783  -0.5658760     4.717433 
1 1 1 -3  -4  41 o 42.942  2.3474  253.717   26.177    274.660   42.362    240.780   33.294    44.206  3.6092  41.679  3.0025  2.526203       4.694808 
1 1 1 -3  -4  42 o 20.484  2.9775  50.642    15.877    114.088   28.590    22.352    19.091    28.103  3.9036  12.865  4.4972  15.23777       5.955042 
1 1 1 -3  -4  43 o 22.264  3.1604  71.382    17.328    87.326    30.489    63.775    21.059    23.777  4.9483  20.751  3.9328  3.025993       6.320823 
1 1 1 -3  -4  44 o 23.338  4.2226  97.920    21.740    74.031    58.735    101.712   23.402    20.166  7.7429  26.510  3.3721  -6.344219      8.445282 
1 1 1 -3  -4  45 o 19.269  3.5378  54.575    17.197    76.890    31.925    45.454    20.411    21.504  5.5160  17.034  4.4314  4.469545       7.075507 
1 1 1 -3  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -4  47 o 18.748  3.5894  65.369    19.169    38.072    35.700    76.427    22.722    15.262  5.9874  22.234  3.9606  -6.972580      7.178846 
1 1 1 -3  -4  48 o 18.280  3.7419  52.976    18.076    85.151    33.928    40.223    21.360    21.254  5.7987  15.306  4.7310  5.947555       7.483832 
1 1 1 -3  -3  1  o 654.512 12.084  58113.71  2116.80   55485.92  2991.50   60748.95  2995.73   639.507 17.464  669.516 16.705  -30.00970      24.16756 
1 1 1 -3  -3  2  o 233.109 4.3834  7289.91   273.665   7406.44   386.959   7173.30   387.082   234.976 6.1483  231.242 6.2495  3.734070       8.766878 
1 1 1 -3  -3  3  o 464.737 8.5762  29120.90  1066.73   30464.23  1509.55   27780.99  1507.62   475.513 11.852  453.961 12.399  21.55197       17.15241 
1 1 1 -3  -3  4  o 158.082 3.1223  3349.93   132.185   3289.46   187.144   3410.15   186.732   156.657 4.4600  159.508 4.3707  -2.850601      6.244569 
1 1 1 -3  -3  5  o 121.571 2.5590  1980.67   83.316    1956.00   118.281   2004.96   117.377   120.819 3.6550  122.323 3.5825  -1.503983      5.117975 
1 1 1 -3  -3  6  o 407.986 7.5452  22395.81  824.451   22044.59  1165.94   22747.04  1165.96   404.772 10.754  411.200 10.586  -6.428131      15.09041 
1 1 1 -3  -3  7  o 51.615  1.6620  356.826   22.969    344.530   32.301    369.403   32.669    50.715  2.3779  52.514  2.3226  -1.799026      3.323969 
1 1 1 -3  -3  8  o 368.007 6.8224  18200.90  672.397   17855.27  950.392   18547.29  951.434   364.498 9.7346  371.517 9.5612  -7.019257      13.64473 
1 1 1 -3  -3  9  o 156.774 3.1638  3294.18   132.842   3342.07   187.699   3246.11   188.034   157.917 4.4376  155.632 4.5108  2.285217       6.327637 
1 1 1 -3  -3  10 o 389.007 7.2051  20338.70  750.599   19884.02  1060.89   20794.44  1062.13   384.639 10.297  393.375 10.080  -8.736115      14.41014 
1 1 1 -3  -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -3  12 o 336.871 6.2950  15236.97  567.930   14954.61  802.639   15520.08  803.711   333.738 8.9789  340.004 8.8252  -6.265839      12.58993 
1 1 1 -3  -3  13 o 447.572 8.2704  26945.06  991.150   26142.18  1400.73   27750.16  1402.67   440.867 11.862  454.277 11.528  -13.41043      16.54074 
1 1 1 -3  -3  14 o 80.359  2.0867  865.534   44.885    897.189   63.278    833.479   63.677    81.839  2.8867  78.879  3.0140  2.960098       4.173386 
1 1 1 -3  -3  15 o 458.146 8.4122  28228.52  1032.13   28830.52  1460.97   27628.69  1458.34   463.041 11.780  453.251 12.012  9.790344       16.82433 
1 1 1 -3  -3  16 o 289.920 5.4971  11280.97  426.696   10921.28  604.132   11639.02  602.749   285.298 7.9058  294.542 7.6401  -9.243927      10.99420 
1 1 1 -3  -3  17 o 93.403  2.3074  1171.96   57.562    1087.90   82.275    1252.54   80.562    90.112  3.4088  96.694  3.1106  -6.581612      4.614706 
1 1 1 -3  -3  18 o 184.914 3.7715  4600.24   185.929   4102.81   263.631   5092.50   262.260   174.923 5.6268  194.906 5.0236  -19.98312      7.543069 
1 1 1 -3  -3  19 o 359.856 6.6899  17419.80  644.808   17356.30  913.077   17482.98  910.721   359.197 9.4904  360.515 9.4313  -1.318359      13.37978 
1 1 1 -3  -3  20 o 346.938 6.4853  16213.27  602.576   16562.27  853.768   15866.88  850.584   350.676 9.0896  343.200 9.2530  7.475708       12.97067 
1 1 1 -3  -3  21 o 60.615  1.8929  491.074   30.675    535.025   44.570    451.518   42.283    63.185  2.6335  58.044  2.7197  5.141373       3.785791 
1 1 1 -3  -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -3  23 o 42.661  1.9050  250.322   21.124    196.078   30.772    298.664   29.050    38.117  3.0393  47.206  2.2975  -9.088757      3.809993 
1 1 1 -3  -3  24 o 188.921 3.7932  4805.00   191.846   4678.70   273.020   4928.19   269.635   186.450 5.4669  191.392 5.2597  -4.941681      7.586307 
1 1 1 -3  -3  25 o 139.927 2.9971  2630.36   112.303   2647.78   160.806   2613.77   156.906   140.375 4.2769  139.479 4.1999  0.8960419      5.994245 
1 1 1 -3  -3  26 o 199.613 3.9979  5371.95   213.654   5247.73   304.285   5492.75   300.063   197.313 5.7575  201.913 5.5483  -4.600128      7.995779 
1 1 1 -3  -3  27 o 184.651 3.7709  4599.66   186.213   4360.49   265.525   4831.13   261.218   179.884 5.5109  189.418 5.1486  -9.533432      7.541789 
1 1 1 -3  -3  28 o 49.704  2.0166  329.274   26.583    380.361   39.749    287.935   35.756    53.173  2.8008  46.234  2.9021  6.938869       4.033156 
1 1 1 -3  -3  29 o 167.538 3.4409  3780.50   154.374   3845.11   221.223   3719.17   215.524   168.928 4.8892  166.148 4.8430  2.780029       6.881781 
1 1 1 -3  -3  30 o 46.546  2.0258  291.616   24.969    295.318   37.614    288.700   33.387    46.795  3.0171  46.298  2.7041  0.4974213      4.051514 
1 1 1 -3  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -3  32 o 107.314 2.6067  1552.79   74.793    1562.38   109.231   1544.32   102.624   107.604 3.7899  107.023 3.5800  0.5803528      5.213408 
1 1 1 -3  -3  33 o 44.826  2.0547  267.821   24.325    302.664   37.525    242.567   31.947    47.303  2.9769  42.348  2.8328  4.954662       4.109340 
1 1 1 -3  -3  34 o 76.864  2.3071  804.671   47.051    747.377   69.969    851.968   63.571    74.289  3.5163  79.439  2.9877  -5.150330      4.614209 
1 1 1 -3  -3  35 o 16.289  2.8827  37.931    12.332    35.095    20.032    39.662    15.649    15.804  4.5102  16.774  3.5915  -0.9705238     5.765461 
1 1 1 -3  -3  36 f 78.461  2.3654  843.912   49.165    785.080   73.618    891.278   66.055    75.868  3.6227  81.053  3.0426  -5.185127      4.730897 
1 1 1 -3  -3  37 o 21.622  2.8799  72.095    15.296    45.546    24.558    88.923    19.551    17.813  4.9626  25.430  2.9235  -7.617489      5.759720 
1 1 1 -3  -3  38 o 19.325  2.9980  53.836    14.455    52.088    24.868    54.728    17.765    18.940  4.8737  19.711  3.4927  -0.7711334     5.996020 
1 1 1 -3  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -3  40 o 13.703  3.0590  18.026    12.994    48.186    23.283    4.3838    15.659    18.065  4.7491  9.3415  3.8569  8.723449       6.117989 
1 1 1 -3  -3  41 o 39.649  2.4194  220.592   24.563    220.637   40.156    220.566   31.050    39.412  3.8532  39.887  2.9268  -0.4749413     4.838717 
1 1 1 -3  -3  42 o 21.497  2.9788  57.997    16.127    117.494   28.851    30.957    19.450    28.493  3.8813  14.500  4.5198  13.99324       5.957646 
1 1 1 -3  -3  43 o 21.711  3.1951  72.710    17.055    68.586    29.666    74.746    20.843    20.756  5.3134  22.665  3.5499  -1.908863      6.390139 
1 1 1 -3  -3  44 o 16.452  3.5070  43.931    16.353    34.549    30.627    47.672    19.340    15.251  5.6482  17.653  4.1586  -2.402568      7.014029 
1 1 1 -3  -3  45 o 13.589  2.9762  5.6020    13.651    66.302    26.862    -15.5323  15.850    20.282  4.9809  6.8961  3.2590  13.38575       5.952401 
1 1 1 -3  -3  46 o 14.840  3.6021  21.579    16.690    68.266    33.135    5.7073    19.320    19.744  5.8496  9.9364  4.2051  9.807545       7.204201 
1 1 1 -3  -3  47 o 13.810  3.6077  29.382    16.623    31.323    31.114    28.606    19.665    14.200  5.5837  13.420  4.5698  0.7797728      7.215315 
1 1 1 -3  -2  1  o 236.638 4.4545  7512.95   282.323   7405.36   399.001   7620.83   399.529   234.939 6.3406  238.337 6.2585  -3.399017      8.909074 
1 1 1 -3  -2  2  o 340.559 6.3154  15589.15  575.998   15272.52  814.202   15906.36  814.966   337.085 9.0179  344.032 8.8441  -6.947449      12.63089 
1 1 1 -3  -2  3  o 333.196 6.1673  14918.64  550.385   14788.48  778.589   15048.64  778.136   331.738 8.7624  334.654 8.6810  -2.915802      12.33451 
1 1 1 -3  -2  4  o 667.011 12.343  60380.22  2204.90   61331.17  3119.40   59430.74  3116.99   672.326 17.322  661.696 17.587  10.63043       24.68509 
1 1 1 -3  -2  5  o 439.111 8.1049  25973.96  952.875   25114.13  1346.72   26835.95  1348.42   431.793 11.644  446.429 11.277  -14.63632      16.20970 
1 1 1 -3  -2  6  o 457.916 8.4699  28249.18  1038.84   28327.59  1469.03   28170.73  1469.27   458.556 11.961  457.277 11.996  1.279358       16.93975 
1 1 1 -3  -2  7  o 68.461  1.8834  627.896   34.536    631.235   48.709    624.520   48.973    68.644  2.6492  68.278  2.6779  0.3663025      3.766865 
1 1 1 -3  -2  8  o 204.690 3.9759  5617.94   217.977   5654.07   308.103   5581.73   308.429   205.350 5.6016  204.030 5.6438  1.319839       7.951755 
1 1 1 -3  -2  9  o 256.524 4.8907  8828.11   336.007   8684.74   474.854   8971.88   475.518   254.434 6.9678  258.613 6.8648  -4.178558      9.781392 
1 1 1 -3  -2  10 f 292.876 5.5161  11511.57  432.687   11661.03  611.778   11361.98  612.044   294.783 7.7482  290.970 7.8532  3.812378       11.03212 
1 1 1 -3  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -2  12 o 395.067 7.3173  20973.22  774.298   20912.85  1095.69   21033.45  1094.35   394.496 10.369  395.638 10.327  -1.141266      14.63460 
1 1 1 -3  -2  13 o 404.297 7.5507  21969.38  817.530   21515.92  1156.58   22422.18  1155.74   400.112 10.792  408.482 10.563  -8.369904      15.10141 
1 1 1 -3  -2  14 o 485.474 8.9447  31713.34  1163.11   31775.18  1645.85   31651.65  1643.93   485.948 12.645  485.001 12.655  0.9473572      17.88949 
1 1 1 -3  -2  15 o 107.025 2.4096  1534.28   69.068    1551.54   98.563    1517.62   96.813    107.616 3.4194  106.434 3.3960  1.182701       4.819232 
1 1 1 -3  -2  16 o 541.384 10.006  39496.66  1450.65   38563.88  2051.84   40428.87  2051.22   534.953 14.320  547.815 13.979  -12.86224      20.01205 
1 1 1 -3  -2  17 o 149.778 3.0713  3005.90   123.143   3148.40   175.410   2867.43   172.918   153.279 4.2725  146.276 4.4134  7.002335       6.142688 
1 1 1 -3  -2  18 o 265.025 5.0301  9425.42   357.054   9548.62   506.260   9303.49   503.653   266.750 7.0857  263.299 7.1416  3.450317       10.06024 
1 1 1 -3  -2  19 o 201.014 3.9522  5419.90   212.772   5529.69   302.299   5312.13   299.531   203.033 5.5588  198.995 5.6197  4.037704       7.904495 
1 1 1 -3  -2  20 o 385.484 7.1659  20052.24  739.825   19777.64  1047.46   20325.60  1045.08   382.827 10.215  388.141 10.052  -5.313568      14.33184 
1 1 1 -3  -2  21 o 141.192 3.1026  2694.54   116.244   2291.59   165.404   3087.81   163.403   130.663 4.7261  151.721 4.0209  -21.05730      6.205157 
1 1 1 -3  -2  22 o 62.512  2.6869  525.054   44.654    541.489   66.020    511.194   60.626    63.406  3.9064  61.619  3.6903  1.786488       5.373843 
1 1 1 -3  -2  23 o 111.570 2.5372  1669.07   75.793    1721.20   108.952   1620.18   105.507   113.257 3.5915  109.884 3.5848  3.373428       5.074399 
1 1 1 -3  -2  24 o 140.784 3.0069  2664.45   113.298   2596.40   162.108   2729.44   158.412   139.015 4.3537  142.553 4.1488  -3.537949      6.013885 
1 1 1 -3  -2  25 o 281.096 5.3838  10697.76  405.256   10492.33  575.195   10900.25  571.064   278.377 7.7142  283.816 7.5121  -5.439514      10.76757 
1 1 1 -3  -2  26 o 221.852 4.3359  6641.47   257.595   6563.77   366.670   6717.18   361.966   220.551 6.2069  223.154 6.0558  -2.602921      8.671757 
1 1 1 -3  -2  27 o 204.634 4.1708  5659.74   228.091   5277.19   324.802   6031.95   320.383   197.739 6.1325  211.529 5.6547  -13.79019      8.341652 
1 1 1 -3  -2  28 o 66.897  2.2768  619.294   39.435    470.824   57.792    748.659   53.946    59.089  3.6697  74.706  2.6960  -15.61662      4.553526 
1 1 1 -3  -2  29 o 189.004 3.8194  4824.46   193.229   4713.79   276.151   4930.64   270.473   186.847 5.5179  191.161 5.2824  -4.314331      7.638792 
1 1 1 -3  -2  30 o 114.621 2.6521  1765.97   81.342    1808.97   118.197   1727.28   112.113   115.937 3.8062  113.305 3.6942  2.631966       5.304183 
1 1 1 -3  -2  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -2  32 o 46.458  2.0848  290.413   25.576    300.561   39.148    282.856   33.781    47.142  3.1180  45.775  2.7683  1.367168       4.169560 
1 1 1 -3  -2  33 o 22.766  2.4734  69.542    14.379    84.789    22.876    59.584    18.488    24.802  3.5443  20.731  3.4509  4.071486       4.946827 
1 1 1 -3  -2  34 o 36.945  2.2056  188.645   20.987    172.528   33.025    199.563   27.182    35.511  3.5185  38.379  2.6606  -2.868866      4.411182 
1 1 1 -3  -2  35 o 18.882  2.7561  47.373    13.312    69.384    21.632    33.957    16.888    22.279  3.7586  15.485  4.0320  6.794247       5.512239 
1 1 1 -3  -2  36 o 41.317  2.2170  235.909   23.720    219.869   37.236    246.861   30.770    40.013  3.5098  42.621  2.7094  -2.608009      4.433940 
1 1 1 -3  -2  37 o 57.283  2.2614  452.733   33.921    420.087   52.209    476.580   44.623    55.311  3.5427  59.255  2.8115  -3.944294      4.522768 
1 1 1 -3  -2  38 o 69.492  2.3191  662.972   42.515    653.031   65.301    670.286   56.012    68.868  3.5521  70.116  2.9825  -1.247444      4.638200 
1 1 1 -3  -2  39 o 21.371  3.0399  65.208    16.138    68.286    27.407    63.574    19.966    21.573  4.8596  21.169  3.6534  0.4046135      6.079758 
1 1 1 -3  -2  40 o 28.074  2.6432  109.808   18.687    118.838   31.237    104.775   23.321    28.785  4.1731  27.362  3.2452  1.422983       5.286443 
1 1 1 -3  -2  41 o 33.536  2.5862  157.001   22.038    170.175   36.830    149.654   27.505    34.396  4.0770  32.676  3.1830  1.719856       5.172399 
1 1 1 -3  -2  42 o 14.368  3.3527  29.162    14.108    32.278    25.864    27.842    16.833    14.978  5.2346  13.758  4.1905  1.220030       6.705360 
1 1 1 -3  -2  43 o 14.930  2.9134  36.238    15.337    -11.3491  27.373    58.013    18.517    9.9985  4.5707  19.861  3.6139  -9.862307      5.826800 
1 1 1 -3  -2  44 f 24.222  3.3290  91.622    19.533    89.961    34.422    92.410    23.722    23.384  5.5745  25.060  3.6406  -1.676456      6.658020 
1 1 1 -3  -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -2  46 o 11.847  3.3428  16.833    15.951    1.2948    30.092    22.905    18.811    11.205  4.9849  12.489  4.4550  -1.283689      6.685531 
1 1 1 -3  -2  47 o 14.130  3.3317  34.936    16.938    -1.4518   33.493    47.440    19.633    11.191  5.0925  17.068  4.2974  -5.877008      6.663422 
1 1 1 -3  -1  1  o 513.327 9.4627  35585.13  1300.62   34499.87  1838.30   36672.87  1840.40   505.427 13.579  521.226 13.182  -15.79959      18.92534 
1 1 1 -3  -1  2  o 285.376 5.3294  10934.92  407.362   10922.32  576.643   10947.48  575.551   285.210 7.5484  285.541 7.5253  -0.3305664     10.65873 
1 1 1 -3  -1  3  o 602.096 11.120  49116.02  1791.88   51463.42  2535.82   46774.97  2532.39   616.628 15.353  587.565 16.091  29.06299       22.24076 
1 1 1 -3  -1  4  o 544.069 10.009  39998.94  1458.33   39139.71  2061.62   40859.43  2063.14   538.171 14.302  549.968 14.006  -11.79736      20.01772 
1 1 1 -3  -1  5  o 718.869 13.286  70294.17  2556.26   67116.52  3612.41   73481.30  3617.80   702.350 19.202  735.389 18.367  -33.03925      26.57213 
1 1 1 -3  -1  6  o 349.620 6.5000  16428.30  608.657   16222.36  860.468   16634.53  861.073   347.419 9.2468  351.820 9.1376  -4.400635      12.99994 
1 1 1 -3  -1  7  o 216.338 4.1791  6276.68   242.154   6217.44   342.195   6336.10   342.721   215.314 5.9335  217.361 5.8867  -2.047394      8.358193 
1 1 1 -3  -1  8  o 96.087  2.2288  1236.80   57.358    1254.37   81.621    1219.66   80.621    96.761  3.1493  95.413  3.1546  1.348274       4.457538 
1 1 1 -3  -1  9  o 348.976 6.4783  16360.55  605.366   16850.17  857.165   15873.32  855.072   354.201 9.0350  343.752 9.2868  10.44812       12.95670 
1 1 1 -3  -1  10 o 433.097 7.9752  25236.49  924.530   26351.61  1309.09   24126.82  1305.88   442.684 11.040  423.510 11.512  19.17398       15.95048 
1 1 1 -3  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -1  12 o 219.004 4.2478  6436.48   248.868   6081.38   352.452   6789.58   351.456   212.967 6.1787  225.041 5.8307  -12.07372      8.495503 
1 1 1 -3  -1  13 o 751.549 13.907  76535.92  2798.82   74614.89  3957.54   78458.08  3958.70   742.004 19.913  761.093 19.419  -19.08917      27.81389 
1 1 1 -3  -1  14 o 305.694 5.7030  12542.13  466.695   13063.12  661.374   12025.42  658.648   312.030 7.9134  299.359 8.2143  12.67102       11.40599 
1 1 1 -3  -1  15 o 240.433 4.6097  7754.85   296.706   7485.11   420.401   8022.57   418.815   236.260 6.6433  244.607 6.3924  -8.346802      9.219353 
1 1 1 -3  -1  16 o 197.020 3.8882  5204.96   205.123   5081.32   291.113   5326.87   289.074   194.693 5.5824  199.347 5.4139  -4.654419      7.776484 
1 1 1 -3  -1  17 f 196.891 3.8386  5200.40   202.047   5612.98   287.391   4797.17   284.113   204.625 5.2436  189.158 5.6076  15.46710       7.677253 
1 1 1 -3  -1  18 o 23.380  2.0458  74.754    11.808    108.426   17.537    46.823    15.972    28.355  2.3297  18.406  3.3636  9.948391       4.091596 
1 1 1 -3  -1  19 o 146.716 3.1808  2903.12   124.077   2516.19   176.456   3281.53   174.502   136.977 4.8095  156.455 4.1641  -19.47731      6.361691 
1 1 1 -3  -1  20 o 64.075  1.9322  548.539   33.096    598.796   48.167    503.592   45.552    66.847  2.6902  61.302  2.7742  5.545139       3.864371 
1 1 1 -3  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -1  22 o 129.537 2.8546  2258.64   98.747    2092.02   141.191   2418.18   138.158   124.834 4.2227  134.240 3.8424  -9.406494      5.709193 
1 1 1 -3  -1  23 o 110.797 2.5225  1645.04   74.761    1768.71   107.741   1530.21   103.823   114.811 3.5036  106.782 3.6300  8.028458       5.044961 
1 1 1 -3  -1  24 o 94.422  2.3617  1199.88   59.546    1131.12   85.947    1263.35   82.576    91.805  3.4952  97.040  3.1769  -5.235855      4.723310 
1 1 1 -3  -1  25 o 95.854  2.3496  1230.87   60.270    1288.21   87.487    1179.07   83.147    97.974  3.3338  93.733  3.3118  4.240784       4.699200 
1 1 1 -3  -1  26 o 81.304  2.2923  895.006   49.475    792.941   71.953    986.543   68.140    76.854  3.4954  85.753  2.9666  -8.899261      4.584598 
1 1 1 -3  -1  27 o 198.469 3.9067  5307.45   207.409   5685.33   296.581   4945.74   290.166   205.412 5.3905  191.527 5.6562  13.88475       7.813488 
1 1 1 -3  -1  28 o 78.760  2.1728  826.360   45.243    1030.30   67.052    655.911   61.300    87.625  2.8569  69.894  3.2744  17.73160       4.345538 
1 1 1 -3  -1  29 o 67.138  2.0975  602.467   37.598    638.281   55.966    573.008   50.757    68.945  3.0306  65.332  2.9006  3.613098       4.195014 
1 1 1 -3  -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -1  31 o 53.530  2.1612  387.590   30.508    380.683   46.543    392.793   40.396    53.077  3.2900  53.983  2.8035  -0.9057579     4.322441 
1 1 1 -3  -1  32 o 79.495  2.2673  850.736   48.081    862.982   71.507    840.631   64.958    79.995  3.3373  78.994  3.0701  1.000664       4.534650 
1 1 1 -3  -1  33 o 15.238  2.8466  33.104    11.767    28.220    18.396    36.486    15.308    14.371  4.3817  16.105  3.6350  -1.734051      5.693180 
1 1 1 -3  -1  34 o 57.162  2.0887  438.119   31.634    480.524   48.457    406.625   41.760    59.531  3.0492  54.793  2.8553  4.738438       4.177367 
1 1 1 -3  -1  35 o 51.583  2.1791  366.753   29.325    332.937   45.231    391.276   38.517    49.364  3.4424  53.801  2.6728  -4.436981      4.358241 
1 1 1 -3  -1  36 o 36.674  2.3309  190.300   21.670    159.948   34.150    210.760   28.038    33.982  3.8180  39.366  2.6750  -5.384766      4.661872 
1 1 1 -3  -1  37 o 56.271  2.2626  436.402   33.306    412.240   51.708    453.535   43.542    54.759  3.5445  57.784  2.8133  -3.024845      4.525246 
1 1 1 -3  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -1  39 o 26.207  2.7724  99.257    17.804    91.566    29.837    103.509   22.187    25.117  4.6049  27.297  3.0888  -2.180859      5.544891 
1 1 1 -3  -1  40 o 48.994  2.3721  333.237   30.124    340.971   48.602    328.412   38.386    49.240  3.7124  48.748  2.9538  0.4922638      4.744107 
1 1 1 -3  -1  41 o 27.437  2.9261  109.668   19.613    109.004   33.679    110.009   24.127    26.983  4.8378  27.891  3.2931  -0.9088058     5.852222 
1 1 1 -3  -1  42 o 16.097  3.3612  41.558    15.888    24.925    28.008    49.450    19.292    14.013  5.3548  18.180  4.0639  -4.167109      6.722312 
1 1 1 -3  -1  43 o 20.146  3.5529  60.039    17.775    76.645    33.139    53.331    21.062    21.619  5.6574  18.674  4.2998  2.945709       7.105889 
1 1 1 -3  -1  44 o 27.916  3.0588  115.890   20.788    125.932   36.582    111.101   25.263    28.248  5.0189  27.585  3.4979  0.6629658      6.117555 
1 1 1 -3  -1  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  -1  46 o 21.486  3.6558  73.566    19.386    89.894    35.893    66.841    23.035    22.440  5.8952  20.532  4.3251  1.908390       7.311665 
1 1 1 -3  -1  47 o 15.143  3.8227  37.031    17.584    52.288    35.441    32.049    20.253    16.431  6.0778  13.855  4.6380  2.575430       7.645313 
1 1 1 -3  0   1  o 341.429 8.9450  15669.72  818.030   0.0000    0.0000    15669.72  818.030   ?       ?       341.429 8.9450  ?              ?        
1 1 1 -3  0   2  o 302.616 6.8992  12254.35  528.770   12512.85  914.749   12124.63  648.002   304.790 11.205  300.441 8.0524  4.349060       13.79832 
1 1 1 -3  0   3  o 297.127 5.5828  11858.32  444.210   11560.27  627.786   12157.16  628.630   293.378 7.9891  300.877 7.8004  -7.498871      11.16563 
1 1 1 -3  0   4  o 333.567 6.1816  14957.52  551.912   15628.53  781.578   14290.13  779.471   341.056 8.5558  326.078 8.9246  14.97699       12.36322 
1 1 1 -3  0   5  o 352.503 6.5162  16704.65  615.064   17198.82  870.807   16212.69  868.860   357.724 9.0883  347.283 9.3407  10.44153       13.03250 
1 1 1 -3  0   6  o 639.829 11.785  55457.85  2019.68   55048.86  2855.81   55867.09  2856.71   637.443 16.726  642.215 16.607  -4.772034      23.57051 
1 1 1 -3  0   7  o 73.193  1.8827  717.722   36.906    726.921   52.076    708.439   52.310    73.664  2.6393  72.721  2.6856  0.9428406      3.765435 
1 1 1 -3  0   8  o 286.576 5.3488  11023.75  410.435   10690.63  579.965   11357.98  580.922   282.229 7.6720  290.922 7.4551  -8.693115      10.69758 
1 1 1 -3  0   9  o 37.869  1.6035  192.881   16.181    198.742   22.775    186.909   22.992    38.455  2.2206  37.283  2.3138  1.172253       3.206996 
1 1 1 -3  0   10 o 524.335 9.5811  37046.08  1345.23   38058.56  1903.01   36034.81  1901.87   531.539 13.366  517.131 13.731  14.40796       19.16226 
1 1 1 -3  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  0   12 o 372.042 6.9131  18591.72  688.899   18537.93  973.980   18645.57  974.521   371.502 9.7881  372.582 9.7652  -1.079590      13.82629 
1 1 1 -3  0   13 o 592.845 10.961  47406.01  1740.57   47603.32  2461.47   47208.67  2461.61   594.088 15.469  591.602 15.535  2.485474       21.92270 
1 1 1 -3  0   14 o 300.156 5.5810  12088.18  448.635   11859.93  634.056   12317.02  634.876   297.313 7.9620  302.998 7.8228  -5.684753      11.16198 
1 1 1 -3  0   15 o 462.765 8.5455  28808.58  1058.91   29612.66  1497.91   28005.31  1497.15   469.248 11.918  456.281 12.250  12.96658       17.09091 
1 1 1 -3  0   16 o 403.204 7.5757  21854.57  818.015   21366.65  1156.24   22343.51  1157.45   398.683 10.828  407.726 10.599  -9.043671      15.15144 
1 1 1 -3  0   17 o 406.520 7.6232  22229.59  829.948   21808.38  1173.08   22651.73  1174.36   402.649 10.877  410.392 10.684  -7.743378      15.24631 
1 1 1 -3  0   18 o 257.227 4.8411  8881.31   333.512   8739.40   471.241   9023.73   472.075   255.165 6.8950  259.290 6.7973  -4.125717      9.682150 
1 1 1 -3  0   19 o 88.080  2.1661  1039.58   51.100    1022.21   71.969    1057.23   72.566    87.338  3.0765  88.822  3.0502  -1.484070      4.332218 
1 1 1 -3  0   20 o 254.440 4.8135  8708.00   327.998   8880.63   463.756   8535.23   463.964   256.974 6.7377  251.906 6.8763  5.068604       9.627059 
1 1 1 -3  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  0   22 o 256.400 4.9222  8867.25   337.941   9113.00   477.874   8621.42   477.967   259.979 6.8626  252.821 7.0582  7.158234       9.844459 
1 1 1 -3  0   23 o 124.633 2.7013  2085.23   90.172    2051.04   127.252   2119.72   127.795   123.605 3.8436  125.661 3.7968  -2.056213      5.402693 
1 1 1 -3  0   24 o 166.567 3.3688  3731.58   150.252   3834.92   212.349   3627.97   212.628   168.887 4.6942  164.248 4.8332  4.639435       6.737612 
1 1 1 -3  0   25 o 210.823 4.1225  5991.47   232.771   6082.50   329.064   5900.31   329.313   212.436 5.7831  209.209 5.8768  3.227325       8.245061 
1 1 1 -3  0   26 o 42.627  1.9684  244.565   22.341    235.541   31.120    254.163   32.094    41.812  2.7948  43.443  2.7726  -1.630699      3.936821 
1 1 1 -3  0   27 o 100.125 2.3727  1346.11   63.596    1289.18   89.636    1403.83   90.244    97.988  3.4152  102.262 3.2947  -4.273567      4.745403 
1 1 1 -3  0   28 o 259.808 4.9274  9152.02   342.855   9308.94   484.956   8995.21   484.784   262.062 6.9089  257.555 7.0273  4.507141       9.854751 
1 1 1 -3  0   29 o 47.992  2.5518  318.325   29.561    294.624   53.473    328.756   35.475    46.567  4.3370  49.416  2.6903  -2.849537      5.103656 
1 1 1 -3  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  0   31 o 69.450  2.2126  653.083   40.794    617.026   60.906    682.420   54.938    67.674  3.3601  71.226  2.8797  -3.552322      4.425247 
1 1 1 -3  0   32 o 31.535  2.1408  131.255   17.585    162.145   27.858    110.795   22.672    34.553  3.0411  28.516  3.0140  6.036551       4.281635 
1 1 1 -3  0   33 o 87.174  2.3631  1023.92   54.987    1076.91   81.930    980.482   74.175    89.194  3.4294  85.153  3.2521  4.041389       4.726201 
1 1 1 -3  0   34 o 56.445  2.1821  434.474   32.420    417.245   49.694    447.241   42.777    55.357  3.3675  57.533  2.7759  -2.175892      4.364154 
1 1 1 -3  0   35 o 53.106  2.1770  383.378   30.446    387.306   46.991    380.536   39.971    53.274  3.3095  52.937  2.8292  0.3364410      4.354010 
1 1 1 -3  0   36 o 12.405  2.4408  18.646    11.801    -24.5071  19.996    41.709    14.618    7.5871  3.6075  17.223  3.2888  -9.635950      4.881618 
1 1 1 -3  0   37 o 24.475  2.6433  81.141    16.344    97.185    27.103    71.972    20.489    26.275  3.9753  22.675  3.4850  3.599865       5.286606 
1 1 1 -3  0   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  0   39 o 52.923  2.4221  397.551   32.874    352.547   52.191    427.150   42.326    50.081  3.9220  55.765  2.8431  -5.683926      4.844132 
1 1 1 -3  0   40 o 26.864  3.2415  119.440   20.112    70.456    33.961    145.901   24.960    21.320  5.7951  32.408  2.9063  -11.08775      6.483065 
1 1 1 -3  0   41 o 15.237  3.4380  33.044    15.040    38.921    26.669    30.303    18.213    16.135  5.3193  14.338  4.3571  1.797071       6.875998 
1 1 1 -3  0   42 f 35.408  2.6434  175.156   23.790    206.518   40.498    158.632   29.396    37.494  4.0994  33.323  3.3384  4.171078       5.286827 
1 1 1 -3  0   43 o 17.065  3.6823  43.235    17.111    56.608    31.777    37.775    20.306    18.513  5.7783  15.616  4.5660  2.897002       7.364641 
1 1 1 -3  0   44 o 15.661  3.7160  39.063    17.796    32.412    33.533    41.670    20.997    15.048  5.8308  16.273  4.6084  -1.224612      7.432016 
1 1 1 -3  0   45 o 27.215  3.6072  125.340   23.094    105.104   41.298    134.547   27.857    24.228  6.3036  30.203  3.5089  -5.975016      7.214440 
1 1 1 -3  0   46 o 14.761  3.4678  14.750    16.425    80.463    33.661    -5.7834   18.816    21.097  5.7841  8.4244  3.8272  12.67268       6.935655 
1 1 1 -3  1   1  o 305.459 8.0705  12533.41  660.303   0.0000    0.0000    12533.41  660.303   ?       ?       305.459 8.0705  ?              ?        
1 1 1 -3  1   2  o 429.145 7.9477  24806.82  913.557   24798.41  1291.79   24815.23  1292.14   429.072 11.240  429.218 11.239  -0.1456604     15.89545 
1 1 1 -3  1   3  o 302.648 5.6495  12303.46  457.882   12021.16  647.152   12586.46  647.934   299.162 8.0763  306.134 7.9019  -6.972473      11.29892 
1 1 1 -3  1   4  o 305.496 5.7347  12535.25  469.234   12642.78  663.513   12427.67  663.680   306.811 8.0740  304.181 8.1459  2.629059       11.46930 
1 1 1 -3  1   5  o 405.098 7.4812  22081.92  811.738   21937.94  1147.71   22226.04  1148.23   403.771 10.612  406.425 10.548  -2.654327      14.96248 
1 1 1 -3  1   6  o 61.061  1.7805  499.456   29.120    497.506   41.094    501.423   41.270    60.942  2.5176  61.181  2.5184  -0.2394257     3.560957 
1 1 1 -3  1   7  o 246.595 4.7254  8157.73   312.109   8198.11   441.271   8117.32   441.506   247.207 6.6643  245.983 6.7010  1.223373       9.450769 
1 1 1 -3  1   8  o 263.085 4.9777  9285.81   350.765   9267.42   495.878   9304.23   496.235   262.824 7.0440  263.346 7.0351  -0.5220337     9.955455 
1 1 1 -3  1   9  o 375.933 6.9390  18989.91  698.586   18572.43  987.424   19408.29  988.477   371.783 9.9157  380.083 9.7095  -8.299805      13.87794 
1 1 1 -3  1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  1   11 f 504.696 9.2180  34295.54  1246.02   34788.18  1762.40   33803.19  1761.86   508.338 12.944  501.053 13.128  7.285583       18.43606 
1 1 1 -3  1   12 o 309.590 5.7978  12862.71  480.727   12655.98  679.502   13069.85  680.201   307.095 8.2609  312.085 8.1372  -4.990295      11.59555 
1 1 1 -3  1   13 o 801.362 14.704  87089.93  3156.06   86499.05  4462.58   87681.20  4464.10   798.610 20.862  804.115 20.727  -5.504028      29.40790 
1 1 1 -3  1   14 o 191.200 3.7099  4899.81   189.995   4903.42   268.490   4896.17   268.899   191.271 5.2407  191.129 5.2526  0.1418304      7.419891 
1 1 1 -3  1   15 o 551.255 10.203  40953.69  1506.55   41072.71  2130.43   40834.63  2130.73   552.061 14.408  550.448 14.452  1.612915       20.40673 
1 1 1 -3  1   16 o 319.577 6.0864  13712.05  520.979   13759.95  736.595   13664.11  736.956   320.137 8.5902  319.017 8.6246  1.119995       12.17274 
1 1 1 -3  1   17 o 464.459 8.5234  29064.91  1060.24   28584.63  1498.73   29546.08  1500.09   460.596 12.148  468.322 11.959  -7.725922      17.04674 
1 1 1 -3  1   18 f 135.976 2.8365  2478.39   103.307   2470.99   145.857   2485.85   146.341   135.772 4.0108  136.180 4.0120  -0.4075012     5.672974 
1 1 1 -3  1   19 f 170.569 3.5031  3904.23   160.020   3977.94   226.121   3830.29   226.484   172.185 4.9029  168.953 5.0048  3.232269       7.006184 
1 1 1 -3  1   20 o 297.485 11.370  12012.35  906.009   0.0000    0.0000    12012.35  906.009   ?       ?       297.485 11.370  ?              ?        
1 1 1 -3  1   21 f 201.191 3.9489  5443.34   212.784   5516.03   300.719   5370.45   301.125   202.542 5.5432  199.839 5.6257  2.702667       7.897795 
1 1 1 -3  1   22 o 169.195 3.4166  3847.49   154.825   3792.07   218.617   3903.24   219.295   167.970 4.8592  170.421 4.8041  -2.451157      6.833124 
1 1 1 -3  1   23 o 170.653 3.4073  3916.11   155.716   3998.76   220.040   3833.20   220.393   172.465 4.7633  168.842 4.8734  3.623184       6.814629 
1 1 1 -3  1   24 o 100.041 2.4015  1343.50   64.332    1373.54   90.729    1313.13   91.231    101.169 3.3482  98.913  3.4435  2.255760       4.802937 
1 1 1 -3  1   25 o 156.099 3.2221  3276.58   134.702   3207.17   190.183   3346.45   190.813   154.435 4.5977  157.764 4.5156  -3.329147      6.444289 
1 1 1 -3  1   26 o 295.454 5.6109  11843.01  443.919   11528.77  627.302   12158.25  628.292   291.480 8.0349  299.428 7.8339  -7.948395      11.22183 
1 1 1 -3  1   27 o 168.347 3.4441  3817.01   155.259   3914.15   219.466   3719.69   219.672   170.504 4.8056  166.191 4.9349  4.313370       6.888153 
1 1 1 -3  1   28 o 134.633 2.8529  2438.50   102.870   2399.09   145.230   2478.18   145.733   133.537 4.0603  135.729 4.0086  -2.191177      5.705754 
1 1 1 -3  1   29 o 124.743 3.9339  2108.24   131.178   2127.91   180.424   2086.18   191.061   125.407 5.3713  124.079 5.7489  1.327728       7.867700 
1 1 1 -3  1   30 o 31.749  2.0841  136.930   17.482    142.156   24.298    131.321   25.173    32.399  2.8284  31.099  3.0617  1.300053       4.168201 
1 1 1 -3  1   31 o 159.647 3.3160  3458.52   141.790   3494.50   200.404   3422.45   200.640   160.491 4.6620  158.803 4.7170  1.687317       6.632059 
1 1 1 -3  1   32 o 54.663  1.9487  403.289   28.426    374.003   39.943    433.341   40.462    52.602  2.8456  56.725  2.6631  -4.122681      3.897335 
1 1 1 -3  1   33 o 39.109  1.9361  207.688   20.120    217.583   28.201    197.431   28.714    40.080  2.6418  38.137  2.8311  1.942310       3.872212 
1 1 1 -3  1   34 o 29.585  3.1597  139.247   20.252    89.597    37.490    159.706   24.066    24.887  5.7410  34.284  2.6411  -9.396175      6.319407 
1 1 1 -3  1   35 o 37.776  2.2147  191.221   21.800    215.398   35.031    175.939   27.850    39.648  3.3295  35.905  2.9212  3.742542       4.429384 
1 1 1 -3  1   36 o 53.430  2.2168  384.763   31.133    420.862   49.128    360.539   40.245    55.437  3.3239  51.424  2.9340  4.013168       4.433620 
1 1 1 -3  1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  1   38 o 46.905  2.3136  304.505   28.134    301.504   44.970    306.435   36.063    46.546  3.6359  47.264  2.8622  -0.7181664     4.627299 
1 1 1 -3  1   39 o 16.188  3.3560  37.881    15.072    40.300    25.130    36.522    18.835    16.583  5.1325  15.793  4.3253  0.7891855      6.711962 
1 1 1 -3  1   40 o 21.003  3.3032  68.543    17.450    57.021    29.797    74.557    21.527    19.229  5.5052  22.777  3.6520  -3.547659      6.606379 
1 1 1 -3  1   41 o 35.305  2.7676  185.146   24.011    164.655   40.145    196.560   29.961    33.198  4.6416  37.412  3.0155  -4.213570      5.535149 
1 1 1 -3  1   42 o 11.263  3.1458  13.708    13.348    4.1475    26.164    17.072    15.520    11.186  4.8177  11.340  4.0465  -0.1542244     6.291614 
1 1 1 -3  1   43 o 11.438  3.1709  5.0058    13.334    34.480    26.266    -5.2274   15.477    15.049  5.2743  7.8273  3.5214  7.221457       6.341788 
1 1 1 -3  1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  1   45 o 8.9440  2.8662  -7.6006   15.323    -48.4955  30.900    5.7351    17.646    8.2978  4.0703  9.5901  4.0365  -1.292368      5.732384 
1 1 1 -3  1   46 o 15.591  3.6991  44.387    18.769    27.313    35.352    51.089    22.148    13.765  5.7483  17.417  4.6574  -3.651470      7.398261 
1 1 1 -3  2   1  o 424.929 7.8334  24318.33  891.545   24553.33  1261.05   24083.48  1260.62   426.993 11.026  422.866 11.130  4.127350       15.66687 
1 1 1 -3  2   2  o 335.939 6.2224  15168.19  559.818   15467.18  791.909   14869.51  791.495   339.260 8.7147  332.618 8.8841  6.641632       12.44482 
1 1 1 -3  2   3  o 460.196 8.4691  28542.36  1043.91   28430.91  1476.22   28653.85  1476.42   459.292 12.000  461.100 11.954  -1.808228      16.93813 
1 1 1 -3  2   4  o 303.939 5.6822  12405.96  462.584   12357.12  654.102   12454.82  654.284   303.339 8.0506  304.539 8.0211  -1.199829      11.36445 
1 1 1 -3  2   5  o 382.890 7.1126  19716.39  729.369   20033.83  1031.65   19399.15  1031.32   385.984 9.9787  379.796 10.138  6.188019       14.22512 
1 1 1 -3  2   6  o 262.999 4.9440  9280.90   348.276   9266.13   492.474   9295.67   492.600   262.790 6.9966  263.209 6.9872  -0.4191284     9.888042 
1 1 1 -3  2   7  o 371.957 6.8888  18594.12  686.217   18214.98  970.085   18973.85  970.831   368.149 9.8378  375.765 9.6458  -7.616028      13.77765 
1 1 1 -3  2   8  o 344.751 6.4204  15965.08  592.693   16418.94  838.450   15511.76  837.938   349.663 8.9524  339.839 9.2055  9.823669       12.84084 
1 1 1 -3  2   9  o 204.271 3.9596  5594.47   216.610   5706.29   306.313   5482.63   306.354   206.315 5.5430  202.228 5.6558  4.087692       7.919142 
1 1 1 -3  2   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  2   11 o 275.999 5.1606  10218.32  381.504   10210.09  539.355   10226.56  539.701   275.888 7.2988  276.111 7.2976  -0.2225037     10.32124 
1 1 1 -3  2   12 o 382.817 7.0598  19690.59  723.494   20450.37  1023.64   18932.18  1022.71   390.220 9.7937  375.414 10.171  14.80524       14.11955 
1 1 1 -3  2   13 o 627.989 11.461  53213.20  1927.83   53125.16  2726.08   53301.27  2726.65   627.466 16.220  628.512 16.197  -1.045959      22.92233 
1 1 1 -3  2   14 o 836.987 15.489  95141.15  3472.40   95662.40  4910.97   94620.02  4910.46   839.311 21.845  834.663 21.965  4.648438       30.97827 
1 1 1 -3  2   15 f 522.775 9.6073  36827.98  1344.56   38213.77  1902.43   35444.91  1900.56   532.660 13.334  512.889 13.835  19.77112       19.21459 
1 1 1 -3  2   16 o 181.779 3.6333  4430.61   176.849   4553.32   250.047   4307.79   250.158   184.300 5.0653  179.257 5.2101  5.042923       7.266563 
1 1 1 -3  2   17 o 104.695 2.3974  1469.46   67.184    1528.15   94.916    1410.53   95.110    106.792 3.3183  102.598 3.4610  4.194359       4.794728 
1 1 1 -3  2   18 o 293.374 5.5196  11574.48  433.687   11763.34  613.282   11385.56  613.370   295.778 7.7412  290.970 7.8702  4.807831       11.03927 
1 1 1 -3  2   19 o 144.130 3.0597  2786.84   118.121   2786.15   166.842   2787.53   167.255   144.112 4.3223  144.147 4.3320  -0.3521729E-01 6.119498 
1 1 1 -3  2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  2   21 o 108.016 2.4614  1565.81   71.180    1618.01   100.544   1513.35   100.784   109.825 3.4179  106.207 3.5428  3.617874       4.922813 
1 1 1 -3  2   22 o 239.488 4.6534  7735.09   298.473   7852.73   421.996   7617.33   422.214   241.323 6.5286  237.653 6.6329  3.670685       9.306852 
1 1 1 -3  2   23 o 82.597  2.1148  915.684   46.700    845.932   65.686    986.976   66.407    79.410  3.0882  85.784  2.8902  -6.373909      4.229671 
1 1 1 -3  2   24 o 130.029 2.8251  2271.38   98.381    2308.86   138.938   2233.69   139.326   131.109 3.9564  128.949 4.0339  2.159286       5.650249 
1 1 1 -3  2   25 f 72.858  2.0897  712.142   40.750    677.052   57.290    748.078   57.976    71.039  3.0109  74.677  2.8985  -3.638077      4.179323 
1 1 1 -3  2   26 o 118.750 2.6492  1894.47   84.224    1820.31   118.720   1969.61   119.504   116.404 3.8077  121.095 3.6844  -4.691612      5.298458 
1 1 1 -3  2   27 o 40.970  1.8934  226.191   20.644    214.012   29.031    238.650   29.362    39.844  2.7369  42.096  2.6170  -2.252304      3.786711 
1 1 1 -3  2   28 o 127.217 2.7799  2178.05   94.722    2197.21   133.758   2158.78   134.158   127.782 3.9081  126.652 3.9547  1.129578       5.559900 
1 1 1 -3  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  2   30 o 107.260 2.5163  1550.98   72.291    1539.36   102.061   1562.69   102.410   106.855 3.5659  107.665 3.5512  -0.8094177     5.032620 
1 1 1 -3  2   31 o 34.207  1.9333  158.830   17.526    166.369   24.428    150.833   25.158    35.067  2.6198  33.348  2.8437  1.718716       3.866504 
1 1 1 -3  2   32 o 62.631  2.0064  529.253   33.650    536.704   47.312    521.625   47.871    63.083  2.8000  62.179  2.8743  0.9041939      4.012736 
1 1 1 -3  2   33 o 47.439  1.9507  305.028   24.673    306.504   34.530    303.487   35.267    47.565  2.7216  47.314  2.7952  0.2504768      3.901341 
1 1 1 -3  2   34 o 40.249  1.9672  220.374   21.007    198.626   29.423    242.987   30.002    38.187  2.8982  42.311  2.6609  -4.123287      3.934443 
1 1 1 -3  2   35 o 50.313  2.0109  345.207   26.877    383.600   37.917    306.436   38.103    53.222  2.6598  47.403  3.0167  5.819672       4.021808 
1 1 1 -3  2   36 o 30.079  2.1848  125.918   17.048    148.155   23.922    102.970   24.301    32.921  2.7377  27.237  3.4055  5.684490       4.369515 
1 1 1 -3  2   37 f 33.373  2.5552  158.648   21.197    167.404   26.560    143.286   35.179    34.921  2.8649  31.826  4.2318  3.095272       5.110336 
1 1 1 -3  2   38 o 28.952  2.7263  119.552   19.598    115.386   32.686    121.890   24.487    28.291  4.4613  29.613  3.1348  -1.322197      5.452536 
1 1 1 -3  2   39 f 28.344  2.9059  118.666   19.980    105.926   33.727    125.556   24.801    26.718  4.8931  29.970  3.1359  -3.251850      5.811725 
1 1 1 -3  2   40 o 35.936  2.9424  200.975   24.842    144.844   41.101    233.284   31.183    30.926  5.1424  40.945  2.8613  -10.01887      5.884853 
1 1 1 -3  2   41 f 15.948  3.4453  40.128    15.922    29.253    29.036    44.804    19.039    14.661  5.4858  17.234  4.1698  -2.572862      6.890625 
1 1 1 -3  2   42 o 24.516  3.0643  79.101    18.371    140.446   33.140    51.888    22.072    30.724  4.1317  18.309  4.5265  12.41565       6.128662 
1 1 1 -3  2   43 o 22.156  4.0060  72.699    20.987    101.957   43.975    64.069    23.883    24.002  6.6238  20.311  4.5077  3.690491       8.012091 
1 1 1 -3  2   44 f 33.279  3.1898  172.948   25.060    165.033   44.775    176.559   30.239    31.680  5.4747  34.878  3.2753  -3.197771      6.379645 
1 1 1 -3  2   45 o 13.734  3.5829  29.078    16.482    26.780    31.602    29.937    19.318    13.759  5.5542  13.709  4.5276  0.4913616E-01  7.165797 
1 1 1 -3  3   1  o 273.095 5.1445  10013.04  376.225   10260.19  532.326   9766.37   531.800   276.470 7.1885  269.720 7.3612  6.750366       10.28893 
1 1 1 -3  3   2  o 436.244 8.0293  25631.07  938.191   25761.42  1326.88   25500.76  1326.72   437.359 11.327  435.128 11.383  2.230469       16.05859 
1 1 1 -3  3   3  o 210.975 4.0563  5969.49   229.211   6033.84   324.241   5905.21   324.066   212.113 5.7071  209.837 5.7658  2.276108       8.112670 
1 1 1 -3  3   4  o 203.643 3.9319  5561.15   214.450   5477.96   303.168   5644.45   303.388   202.116 5.6001  205.169 5.5208  -3.052185      7.863802 
1 1 1 -3  3   5  o 460.966 8.5117  28619.10  1050.83   28143.86  1485.72   29094.83  1486.48   457.115 12.134  464.816 11.940  -7.700775      17.02349 
1 1 1 -3  3   6  o 65.913  1.8476  581.991   32.617    575.717   46.115    588.272   46.140    65.557  2.6262  66.268  2.5994  -0.7111282     3.695156 
1 1 1 -3  3   7  o 226.887 4.3277  6903.29   262.981   6993.21   371.932   6813.39   371.891   228.366 6.0805  225.407 6.1597  2.958939       8.655329 
1 1 1 -3  3   8  o 234.134 4.4360  7351.08   278.187   7411.73   393.378   7290.40   393.454   235.101 6.2469  233.167 6.3000  1.934799       8.872082 
1 1 1 -3  3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  3   10 o 453.996 8.3415  27724.82  1014.12   27044.97  1433.54   28405.90  1434.84   448.401 11.936  459.591 11.656  -11.18994      16.68302 
1 1 1 -3  3   11 o 420.858 7.7908  23806.15  878.215   23666.56  1241.76   23945.84  1242.21   419.620 11.048  422.097 10.987  -2.476898      15.58156 
1 1 1 -3  3   12 o 263.683 4.9595  9325.63   350.223   9507.06   495.286   9144.20   495.292   266.252 6.9450  261.114 7.0818  5.137695       9.918921 
1 1 1 -3  3   13 o 330.839 6.1909  14692.04  548.549   14939.62  775.796   14444.49  775.736   333.633 8.6814  328.045 8.8286  5.587402       12.38188 
1 1 1 -3  3   14 o 207.590 4.0153  5779.63   223.080   5501.87   315.074   6058.83   315.892   202.582 5.8066  212.598 5.5474  -10.01634      8.030614 
1 1 1 -3  3   15 o 138.994 2.9293  2590.24   108.976   2704.49   154.066   2475.84   154.164   142.065 4.0488  135.924 4.2345  6.141495       5.858657 
1 1 1 -3  3   16 o 310.746 5.8552  12971.08  487.334   13053.83  689.060   12888.27  689.329   311.741 8.2523  309.752 8.3085  1.989441       11.71032 
1 1 1 -3  3   17 o 258.130 4.9637  8952.21   343.048   9249.13   485.169   8655.35   485.116   262.424 6.9024  253.836 7.1351  8.588043       9.927407 
1 1 1 -3  3   18 o 259.224 4.9166  9035.27   341.365   8962.13   482.490   9108.58   483.037   258.170 6.9774  260.278 6.9287  -2.108093      9.833188 
1 1 1 -3  3   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  3   20 o 246.359 4.7682  8177.96   314.620   8279.17   444.838   8076.66   445.041   247.894 6.6996  244.824 6.7867  3.069687       9.536409 
1 1 1 -3  3   21 o 42.145  1.7736  239.234   19.899    252.953   28.055    225.343   28.230    43.373  2.4246  40.917  2.5892  2.455837       3.547214 
1 1 1 -3  3   22 o 201.623 4.0177  5474.71   216.936   5591.16   306.697   5358.11   306.890   203.781 5.6190  199.465 5.7442  4.316040       8.035443 
1 1 1 -3  3   23 o 74.472  2.0687  744.185   41.249    765.174   58.159    722.940   58.512    75.531  2.8748  73.413  2.9757  2.118004       4.137496 
1 1 1 -3  3   24 o 207.268 4.0796  5790.16   226.482   5834.13   320.143   5746.11   320.444   208.062 5.7446  206.475 5.7942  1.586716       8.159291 
1 1 1 -3  3   25 o 144.077 3.0093  2790.26   116.128   2759.05   163.960   2821.68   164.501   143.266 4.2727  144.887 4.2389  -1.621109      6.018658 
1 1 1 -3  3   26 o 169.671 3.4138  3876.27   155.144   3885.85   219.247   3866.66   219.566   169.883 4.8183  169.459 4.8374  0.4235992      6.827640 
1 1 1 -3  3   27 o 69.389  2.0575  646.346   38.241    644.465   53.974    648.241   54.187    69.287  2.9083  69.490  2.9113  -0.2025223     4.115079 
1 1 1 -3  3   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  3   29 o 102.296 2.4597  1409.82   67.331    1334.53   94.890    1486.17   95.554    99.530  3.5594  105.061 3.3956  -5.530457      4.919305 
1 1 1 -3  3   30 o 57.318  1.9618  442.085   30.117    444.929   42.379    439.184   42.806    57.507  2.7514  57.130  2.7974  0.3768768      3.923696 
1 1 1 -3  3   31 o 18.548  2.4292  47.891    11.618    45.565    16.108    50.412    16.772    18.065  3.4548  19.031  3.4158  -0.9664326     4.858321 
1 1 1 -3  3   32 o 123.448 2.7893  2073.59   92.198    2006.40   130.069   2141.45   130.709   121.411 3.9997  125.486 3.8888  -4.074776      5.578585 
1 1 1 -3  3   33 o 50.810  1.9779  350.427   26.792    361.359   37.573    339.119   38.214    51.635  2.7264  49.985  2.8663  1.650181       3.955809 
1 1 1 -3  3   34 o 28.355  2.1036  110.331   15.715    115.545   22.108    105.007   22.342    29.060  2.8782  27.649  3.0686  1.411182       4.207135 
1 1 1 -3  3   35 o 34.354  2.0684  161.858   18.793    173.533   26.385    149.837   26.773    35.656  2.7848  33.051  3.0590  2.605766       4.136746 
1 1 1 -3  3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  3   37 o 27.619  2.2021  105.858   16.003    105.542   22.390    106.188   22.880    27.586  3.0830  27.652  3.1452  -0.6605339E-01 4.404221 
1 1 1 -3  3   38 o 18.798  2.8269  51.514    13.800    56.511    19.310    46.298    19.729    19.817  3.7759  17.780  4.2081  2.037138       5.653855 
1 1 1 -3  3   39 o 19.870  2.7233  58.285    13.901    72.506    19.546    43.731    19.774    22.586  3.3310  17.154  4.3092  5.431770       5.446556 
1 1 1 -3  3   40 o 30.434  3.4071  139.231   22.874    138.949   45.979    139.324   26.369    29.479  6.0266  31.389  3.1803  -1.910275      6.814260 
1 1 1 -3  3   41 o 11.453  3.2300  12.704    13.701    15.371    26.043    11.683    16.111    12.471  5.0393  10.435  4.0420  2.035657       6.460076 
1 1 1 -3  3   42 o 16.067  3.6450  34.242    16.546    60.380    31.417    24.210    19.464    19.125  5.7027  13.008  4.5413  6.116792       7.290046 
1 1 1 -3  3   43 o 29.145  9.4310  196.305   83.998    196.305   83.998    0.0000    0.0000    29.145  9.4310  ?       ?       ?              ?        
1 1 1 -3  3   44 o 12.807  3.5172  9.6238    16.348    49.432    32.246    -4.1485   18.967    16.910  5.8485  8.7042  3.9086  8.206268       7.034339 
1 1 1 -3  3   45 o 13.613  3.6514  24.545    16.445    46.004    32.539    17.184    19.058    15.902  5.8334  11.324  4.3934  4.577770       7.302820 
1 1 1 -3  4   1  o 272.267 5.1287  9950.20   374.009   10021.90  528.989   9878.53   528.870   273.250 7.2277  271.284 7.2784  1.965820       10.25740 
1 1 1 -3  4   2  o 468.693 8.6693  29605.26  1088.28   29245.00  1538.94   29965.62  1539.16   465.823 12.334  471.562 12.186  -5.739868      17.33866 
1 1 1 -3  4   3  o 334.271 6.2343  15011.37  558.168   14881.24  789.280   15141.56  789.458   332.817 8.8539  335.724 8.7792  -2.907318      12.46865 
1 1 1 -3  4   4  o 148.790 3.0216  2966.99   120.418   2994.61   170.354   2939.41   170.240   149.482 4.2547  148.097 4.2917  1.385010       6.043270 
1 1 1 -3  4   5  o 130.032 2.7598  2265.67   96.122    2266.09   135.930   2265.25   135.943   130.044 3.9024  130.020 3.9036  0.2403259E-01  5.519674 
1 1 1 -3  4   6  o 317.591 5.9055  13540.89  502.331   13373.83  710.213   13708.14  710.595   315.626 8.4009  319.556 8.3021  -3.929565      11.81099 
1 1 1 -3  4   7  o 720.007 13.243  70218.56  2553.88   70108.18  3611.56   70328.96  3611.91   719.435 18.742  720.580 18.714  -1.144043      26.48532 
1 1 1 -3  4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  4   9  o 428.587 7.9436  24695.98  911.869   24930.13  1289.68   24461.91  1289.47   430.626 11.181  426.548 11.286  4.078461       15.88725 
1 1 1 -3  4   10 o 606.404 11.123  49609.99  1806.47   50245.22  2555.18   48975.20  2554.30   610.313 15.631  602.496 15.828  7.817566       22.24519 
1 1 1 -3  4   11 o 216.740 4.1972  6297.99   243.637   6192.19   344.384   6403.99   344.727   214.916 5.9825  218.564 5.8885  -3.648178      8.394355 
1 1 1 -3  4   12 o 359.042 6.6063  17309.58  635.184   16890.30  897.832   17729.71  898.739   354.678 9.4509  363.406 9.2332  -8.727570      13.21254 
1 1 1 -3  4   13 o 141.486 2.9282  2682.38   110.960   2645.15   156.817   2719.72   157.026   140.502 4.1670  142.469 4.1149  -1.967575      5.856320 
1 1 1 -3  4   14 f 447.862 8.3036  26988.63  996.054   27266.59  1408.73   26710.75  1408.53   450.179 11.683  445.545 11.803  4.633270       16.60721 
1 1 1 -3  4   15 o 330.476 6.1753  14672.21  546.621   14724.85  772.933   14619.54  773.145   331.071 8.7163  329.881 8.7501  1.189911       12.35065 
1 1 1 -3  4   16 o 592.608 10.986  47656.23  1743.68   48086.91  2466.11   47225.66  2465.77   595.321 15.466  589.896 15.606  5.424866       21.97124 
1 1 1 -3  4   17 o 60.127  1.8540  484.421   29.857    476.438   42.126    492.479   42.323    59.629  2.6375  60.625  2.6064  -0.9958420     3.708072 
1 1 1 -3  4   18 o 98.159  3.2822  1294.91   84.770    1013.97   116.547   1610.49   123.523   86.756  5.0372  109.562 4.2092  -22.80621      6.564346 
1 1 1 -3  4   19 o 92.876  2.2796  1156.81   56.706    1167.04   80.004    1146.49   80.386    93.290  3.2018  92.463  3.2458  0.8267059      4.559227 
1 1 1 -3  4   20 o 90.114  2.2477  1089.47   54.204    1031.09   76.349    1148.80   76.966    87.676  3.2511  92.552  3.1047  -4.875465      4.495440 
1 1 1 -3  4   21 o 188.275 3.7286  4768.92   188.023   4709.30   265.629   4828.79   266.180   187.091 5.3007  189.459 5.2453  -2.367661      7.457252 
1 1 1 -3  4   22 o 121.029 2.7060  1966.97   87.712    1992.77   123.869   1941.03   124.220   121.827 3.7960  120.230 3.8573  1.596939       5.411913 
1 1 1 -3  4   23 o 166.567 3.4287  3732.82   152.925   3834.46   216.156   3630.96   216.382   168.848 4.7795  164.286 4.9173  4.562134       6.857397 
1 1 1 -3  4   24 f 201.366 3.9920  5465.06   215.274   5576.78   304.339   5353.17   304.547   203.440 5.5851  199.293 5.7052  4.146774       7.983940 
1 1 1 -3  4   25 o 258.759 4.9770  9064.40   344.922   8927.99   487.442   9201.20   488.145   256.790 7.0869  260.728 6.9899  -3.937927      9.954027 
1 1 1 -3  4   26 o 89.584  2.2961  1077.91   55.054    1025.00   77.524    1131.74   78.197    87.361  3.3131  91.807  3.1800  -4.446480      4.592241 
1 1 1 -3  4   27 o 43.819  1.9455  259.028   22.697    266.806   31.767    250.916   32.441    44.502  2.6775  43.137  2.8233  1.365253       3.891030 
1 1 1 -3  4   28 o 116.215 3.2857  1834.75   96.988    1856.01   119.918   1794.54   164.914   117.364 3.8147  115.065 5.3509  2.298302       6.571444 
1 1 1 -3  4   29 o 37.996  1.9088  195.085   19.299    195.844   27.229    194.318   27.357    38.072  2.6874  37.920  2.7114  0.1522903      3.817581 
1 1 1 -3  4   30 o 110.628 2.5979  1654.83   76.968    1616.60   108.513   1693.53   109.188   109.333 3.7055  111.923 3.6422  -2.589531      5.195799 
1 1 1 -3  4   31 o 12.419  2.5678  20.981    9.4970    29.175    13.220    12.244    13.652    14.396  3.4694  10.442  3.7864  3.953459       5.135512 
1 1 1 -3  4   32 o 50.148  1.9413  340.750   25.973    345.532   36.650    335.924   36.814    50.508  2.7191  49.788  2.7716  0.7201996      3.882686 
1 1 1 -3  4   33 o 104.823 2.5553  1497.78   71.730    1458.61   101.091   1537.50   101.795   103.424 3.6493  106.221 3.5779  -2.796768      5.110624 
1 1 1 -3  4   34 o 33.137  2.0372  150.419   17.783    130.916   24.958    170.529   25.343    30.893  3.0563  35.381  2.6945  -4.487968      4.074471 
1 1 1 -3  4   35 o 35.344  2.0410  171.243   19.119    177.012   26.601    165.079   27.499    35.992  2.7809  34.696  2.9882  1.295315       4.082009 
1 1 1 -3  4   36 o 16.630  2.8136  39.844    12.369    41.133    17.506    38.560    17.477    16.906  3.9391  16.355  4.0185  0.5510139      5.627209 
1 1 1 -3  4   37 o 39.931  2.0640  219.503   21.906    208.268   30.481    231.506   31.505    38.858  2.9506  41.005  2.8870  -2.146160      4.128008 
1 1 1 -3  4   38 o 25.263  2.5155  90.811    16.321    73.921    22.646    109.065   23.543    22.645  3.8729  27.882  3.2112  -5.236843      5.031060 
1 1 1 -3  4   39 f 6.0313  2.0043  -14.4199  8.5398    -5.0583   12.038    -23.9055  12.117    6.9007  3.1050  5.1620  2.5355  1.738726       4.008647 
1 1 1 -3  4   40 o 27.253  2.4317  106.419   17.324    98.809    23.888    114.861   25.162    26.187  3.4928  28.319  3.3843  -2.131994      4.863409 
1 1 1 -3  4   41 o 17.338  3.0766  46.041    14.327    39.943    20.021    52.441    20.511    16.107  4.4785  18.569  4.2196  -2.462502      6.153220 
1 1 1 -3  4   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  4   43 o 25.429  3.6176  105.006   22.005    102.985   40.044    105.880   26.338    24.253  6.1543  26.605  3.8042  -2.352604      7.235157 
1 1 1 -3  4   44 o 26.228  3.7021  126.760   23.250    86.882    41.117    145.504   28.189    21.168  6.5673  31.288  3.4193  -10.12034      7.404134 
1 1 1 -3  5   1  o 147.030 3.0224  2897.55   119.009   2838.22   168.266   2956.94   168.342   145.523 4.3170  148.537 4.2312  -3.014465      6.044795 
1 1 1 -3  5   2  o 257.197 4.8671  8875.86   335.267   8751.35   474.134   9000.37   474.145   255.390 6.9312  259.005 6.8346  -3.614685      9.734142 
1 1 1 -3  5   3  f 579.038 10.660  45282.58  1653.22   44975.43  2337.92   45589.79  2338.08   577.057 15.126  581.018 15.024  -3.960876      21.31922 
1 1 1 -3  5   4  o 331.207 6.1744  14730.88  547.752   14748.20  774.677   14713.57  774.599   331.402 8.7272  331.011 8.7367  0.3902588      12.34883 
1 1 1 -3  5   5  o 82.986  2.0674  922.875   45.929    959.869   65.006    886.003   64.900    84.648  2.8671  81.325  2.9794  3.323097       4.134897 
1 1 1 -3  5   6  o 279.122 5.2458  10454.54  392.066   10142.67  554.212   10766.97  554.717   274.948 7.5255  283.297 7.3104  -8.350037      10.49168 
1 1 1 -3  5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  5   8  o 607.744 11.224  49857.48  1826.41   51422.85  2584.07   48294.86  2581.80   617.350 15.627  598.138 16.115  19.21155       22.44788 
1 1 1 -3  5   9  f 408.214 7.5479  22392.09  825.278   22307.96  1167.00   22476.26  1167.24   407.445 10.693  408.984 10.655  -1.538971      15.09577 
1 1 1 -3  5   10 o 104.022 2.3675  1449.68   65.958    1423.75   93.179    1475.71   93.380    103.090 3.3745  104.955 3.3217  -1.864647      4.735101 
1 1 1 -3  5   11 o 358.520 6.6687  17258.54  640.351   17481.74  905.668   17035.42  905.519   360.844 9.3705  356.196 9.4912  4.647705       13.33745 
1 1 1 -3  5   12 o 447.737 8.2542  26967.08  989.285   28075.05  1399.81   25861.48  1398.31   456.965 11.437  438.509 11.905  18.45584       16.50846 
1 1 1 -3  5   13 o 172.887 3.4225  4006.50   158.462   4085.12   224.077   3927.84   224.122   174.585 4.7918  171.189 4.8879  3.396408       6.844930 
1 1 1 -3  5   14 o 191.352 3.7436  4910.21   191.810   5057.56   271.286   4762.93   271.233   194.226 5.2147  188.477 5.3727  5.748444       7.487301 
1 1 1 -3  5   15 f 502.721 9.2930  34155.84  1251.07   33336.41  1768.52   34976.67  1770.04   496.632 13.295  508.810 12.988  -12.17755      18.58601 
1 1 1 -3  5   16 o 134.488 2.8487  2425.23   102.608   2457.84   145.041   2392.54   145.179   135.394 3.9995  133.581 4.0576  1.812897       5.697348 
1 1 1 -3  5   17 o 133.785 2.8439  2402.48   101.766   2251.04   143.605   2555.25   144.235   129.540 4.1388  138.029 3.9013  -8.488464      5.687716 
1 1 1 -3  5   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  5   19 o 93.900  2.2755  1182.59   57.222    1155.63   80.734    1209.81   81.115    92.823  3.2472  94.976  3.1886  -2.153549      4.550991 
1 1 1 -3  5   20 o 102.576 2.4197  1411.83   66.463    1369.98   93.750    1454.12   94.239    101.045 3.4639  104.106 3.3796  -3.061615      4.839456 
1 1 1 -3  5   21 o 155.538 3.2542  3251.97   135.548   3175.71   191.374   3328.73   192.013   153.703 4.6485  157.374 4.5552  -3.671036      6.508349 
1 1 1 -3  5   22 o 100.095 2.3886  1344.64   64.037    1353.86   90.389    1335.35   90.736    100.440 3.3598  99.749  3.3961  0.6915359      4.777254 
1 1 1 -3  5   23 o 185.117 3.7307  4613.87   184.980   4631.30   261.367   4596.37   261.835   185.470 5.2612  184.764 5.2908  0.7061157      7.461452 
1 1 1 -3  5   24 o 68.573  2.0323  631.070   37.310    651.557   52.665    610.427   52.866    69.692  2.8213  67.453  2.9261  2.239792       4.064662 
1 1 1 -3  5   25 o 139.979 2.9948  2635.55   112.281   2606.63   158.524   2664.66   159.057   139.206 4.2515  140.752 4.2190  -1.545639      5.989618 
1 1 1 -3  5   26 o 142.095 3.0703  2719.44   116.857   2720.57   165.068   2718.30   165.453   142.126 4.3361  142.064 4.3481  0.6158447E-01  6.140685 
1 1 1 -3  5   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  5   28 f 60.893  2.0243  498.567   33.003    479.133   46.390    518.483   46.962    59.688  2.9016  62.098  2.8235  -2.409554      4.048639 
1 1 1 -3  5   29 o 115.491 2.6838  1803.06   83.020    1803.09   117.208   1803.03   117.610   115.494 3.7889  115.488 3.8020  0.5737305E-02  5.367588 
1 1 1 -3  5   30 o 53.415  1.9554  385.339   27.813    344.698   38.900    427.841   39.781    50.474  2.8894  56.356  2.6354  -5.881863      3.910707 
1 1 1 -3  5   31 o 40.313  1.9356  220.301   20.773    215.865   29.068    224.930   29.696    39.897  2.7367  40.730  2.7379  -0.8327866     3.871130 
1 1 1 -3  5   32 o 77.391  2.1832  811.909   45.256    807.446   63.797    816.429   64.208    77.177  3.0862  77.604  3.0890  -0.4272766     4.366473 
1 1 1 -3  5   33 o 93.266  2.4266  1185.36   60.618    1188.97   85.540    1181.71   85.914    93.415  3.4187  93.117  3.4446  0.2977753      4.853161 
1 1 1 -3  5   34 o 42.212  2.0147  243.129   22.638    245.802   31.732    240.359   32.305    42.461  2.8059  41.963  2.8918  0.4978333      4.029351 
1 1 1 -3  5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  5   36 o 18.780  2.6858  50.467    13.076    34.183    17.888    69.153    19.162    15.375  4.2171  22.185  3.3273  -6.810344      5.371668 
1 1 1 -3  5   37 o 13.710  2.8594  24.971    12.711    43.850    17.878    5.6720    18.077    17.356  3.9363  10.065  4.1485  7.291460       5.718833 
1 1 1 -3  5   38 o 44.924  2.1447  283.691   25.301    329.240   35.449    236.393   36.123    48.817  2.7219  41.032  3.3151  7.784874       4.289379 
1 1 1 -3  5   39 o 19.687  2.8529  57.389    14.534    52.961    20.135    62.205    21.000    18.846  4.1051  20.527  3.9630  -1.681547      5.705893 
1 1 1 -3  5   40 o 23.182  2.6509  79.914    15.615    95.641    21.809    63.370    22.368    25.856  3.2187  20.508  4.2130  5.348412       5.301852 
1 1 1 -3  5   41 o 38.003  2.2176  205.484   22.360    197.104   31.319    214.198   31.935    37.181  3.1753  38.825  3.0966  -1.644444      4.435271 
1 1 1 -3  5   42 o 24.344  2.8402  90.043    17.264    57.897    23.749    126.065   25.140    19.137  4.6736  29.552  3.2287  -10.41457      5.680369 
1 1 1 -3  5   43 o 29.163  2.6225  127.972   19.780    146.119   27.933    109.721   28.012    31.538  3.3584  26.788  4.0287  4.749548       5.244956 
1 1 1 -3  6   1  o 255.240 4.8359  8740.20   330.585   8855.03   467.600   8625.45   467.436   256.918 6.7950  253.561 6.8826  3.357910       9.671713 
1 1 1 -3  6   2  o 137.481 2.8835  2532.95   106.172   2494.14   150.169   2571.74   150.131   136.427 4.1095  138.534 4.0460  -2.107300      5.766984 
1 1 1 -3  6   3  o 427.595 7.9047  24591.89  905.277   24299.42  1280.19   24884.42  1280.31   425.041 11.245  430.149 11.112  -5.107605      15.80931 
1 1 1 -3  6   4  o 159.375 3.1959  3405.50   136.336   3262.86   192.807   3548.16   192.810   156.033 4.6133  162.717 4.4239  -6.683258      6.391714 
1 1 1 -3  6   5  o 229.788 6.2292  7110.05   381.187   6198.51   536.510   8039.28   541.688   214.837 9.3235  244.739 8.2634  -29.90221      12.45836 
1 1 1 -3  6   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  6   7  o 458.460 8.4257  28270.41  1034.64   28091.93  1463.05   28448.96  1463.36   457.007 11.952  459.914 11.879  -2.907074      16.85137 
1 1 1 -3  6   8  o 519.951 9.5224  36401.80  1325.99   37082.02  1875.73   35722.30  1874.74   524.832 13.343  515.070 13.589  9.761780       19.04471 
1 1 1 -3  6   9  o 285.290 5.3541  10918.03  409.129   10886.48  578.520   10949.59  578.672   284.877 7.5818  285.703 7.5619  -0.8258362     10.70818 
1 1 1 -3  6   10 o 503.197 9.2402  34076.09  1245.39   33998.70  1761.14   34153.51  1761.37   502.623 13.082  503.771 13.054  -1.148285      18.48036 
1 1 1 -3  6   11 f 85.822  2.2119  986.728   50.844    994.609   71.849    978.822   71.960    86.166  3.1132  85.479  3.1430  0.6867752      4.423824 
1 1 1 -3  6   12 o 407.487 7.5546  22336.21  823.649   21115.24  1163.70   23561.88  1165.94   396.280 10.964  418.694 10.397  -22.41357      15.10916 
1 1 1 -3  6   13 o 220.235 4.2498  6505.10   250.691   6456.51   354.358   6553.79   354.705   219.411 6.0297  221.060 5.9906  -1.648819      8.499652 
1 1 1 -3  6   14 o 86.235  2.1384  996.665   49.376    1025.17   69.735    968.007   69.922    87.472  2.9764  84.997  3.0713  2.474930       4.276875 
1 1 1 -3  6   15 o 99.108  2.3266  1316.58   61.754    1337.55   87.227    1295.52   87.441    99.900  3.2599  98.316  3.3205  1.583504       4.653191 
1 1 1 -3  6   16 o 139.089 2.9513  2595.74   109.910   2675.58   155.401   2515.83   155.471   141.234 4.1080  136.945 4.2385  4.287979       5.902568 
1 1 1 -3  6   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  6   18 o 192.178 3.8112  4966.38   196.163   5034.32   277.328   4898.35   277.505   193.499 5.3509  190.857 5.4284  2.642059       7.622307 
1 1 1 -3  6   19 o 92.567  2.2517  1149.45   55.824    1165.22   78.821    1133.58   79.072    93.205  3.1573  91.928  3.2113  1.276421       4.503460 
1 1 1 -3  6   20 o 127.063 2.7927  2168.03   95.028    2116.90   134.149   2219.53   134.632   125.555 3.9890  128.570 3.9095  -3.014610      5.585361 
1 1 1 -3  6   21 o 54.150  1.9095  393.763   27.605    367.582   38.729    420.799   39.356    52.280  2.7757  56.019  2.6229  -3.739273      3.818917 
1 1 1 -3  6   22 o 157.523 3.2731  3336.80   138.088   3385.92   195.082   3287.47   195.490   158.691 4.5896  156.356 4.6679  2.334610       6.546296 
1 1 1 -3  6   23 o 104.489 2.4786  1466.06   69.355    1496.72   97.929    1435.20   98.238    105.588 3.4627  103.389 3.5475  2.199089       4.957261 
1 1 1 -3  6   24 o 123.737 2.7245  2057.56   90.298    2060.65   127.497   2054.44   127.904   123.831 3.8440  123.643 3.8621  0.1887360      5.449047 
1 1 1 -3  6   25 o 49.721  1.9005  332.862   25.203    342.741   35.520    322.845   35.767    50.471  2.6367  48.970  2.7378  1.500107       3.801014 
1 1 1 -3  6   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  6   27 o 162.312 3.3731  3565.86   146.605   3464.03   206.965   3668.41   207.698   159.965 4.8304  164.660 4.7093  -4.695114      6.746118 
1 1 1 -3  6   28 o 73.630  2.1223  730.068   41.850    738.461   58.981    721.558   59.391    74.060  2.9733  73.200  3.0292  0.8598099      4.244552 
1 1 1 -3  6   29 o 13.173  2.6353  24.123    9.7331    25.883    13.600    22.274    13.936    13.601  3.6549  12.746  3.7975  0.8545399      5.270600 
1 1 1 -3  6   30 o 47.868  1.9290  310.280   24.616    319.577   34.636    300.793   34.991    48.605  2.6707  47.130  2.7842  1.475155       3.858084 
1 1 1 -3  6   31 o 53.437  1.9892  387.128   28.370    390.585   40.128    383.674   40.114    53.679  2.8007  53.195  2.8255  0.4839211      3.978358 
1 1 1 -3  6   32 o 36.898  2.0118  186.227   19.618    205.702   27.572    166.258   27.919    38.910  2.6615  34.886  3.0175  4.023628       4.023570 
1 1 1 -3  6   33 o 70.829  2.1607  682.133   40.991    674.964   57.774    689.399   58.168    70.453  3.0616  71.206  3.0498  -0.7535400     4.321426 
1 1 1 -3  6   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  6   35 o 34.065  2.0772  159.657   18.764    155.699   26.272    163.778   26.810    33.629  2.9464  34.502  2.9287  -0.8728294     4.154342 
1 1 1 -3  6   36 o 40.470  2.0986  226.130   22.579    226.868   31.483    225.347   32.401    40.559  2.9175  40.382  3.0174  0.1772842      4.197156 
1 1 1 -3  6   37 o 61.896  2.1562  530.647   35.678    514.474   50.101    547.285   50.817    60.883  3.0824  62.910  3.0158  -2.026924      4.312343 
1 1 1 -3  6   38 o 35.184  2.2180  174.421   20.598    190.455   29.109    158.340   29.151    36.903  2.9701  33.464  3.2950  3.438797       4.436052 
1 1 1 -3  6   39 o 16.828  3.0735  42.870    13.992    37.749    19.387    48.437    20.215    15.768  4.4152  17.889  4.2768  -2.121185      6.146946 
1 1 1 -3  6   40 o 36.097  2.2789  186.678   21.654    202.547   30.056    169.554   31.223    37.862  2.9880  34.332  3.4417  3.529316       4.557804 
1 1 1 -3  6   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  6   42 o 36.386  2.3913  194.035   22.838    215.659   31.956    171.462   32.650    38.708  3.1084  34.063  3.6347  4.645416       4.782590 
1 1 1 -3  6   43 o 14.583  3.2661  34.775    14.322    36.361    20.051    33.123    20.463    14.900  4.5801  14.265  4.6574  0.6341305      6.532150 
1 1 1 -3  7   1  o 285.792 5.3965  10960.83  413.057   10784.55  583.976   11137.32  584.327   283.488 7.6908  288.096 7.5723  -4.608185      10.79298 
1 1 1 -3  7   2  o 405.959 7.4495  22152.21  809.994   22373.81  1145.73   21930.78  1145.27   407.996 10.484  403.922 10.586  4.073822       14.89896 
1 1 1 -3  7   3  o 189.780 3.7079  4827.76   188.480   4819.24   266.660   4836.27   266.441   189.612 5.2505  189.947 5.2370  -0.3352203     7.415776 
1 1 1 -3  7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  7   5  o 128.837 2.7230  2224.37   93.947    2170.88   132.909   2277.78   132.812   127.288 3.8983  130.386 3.8029  -3.097900      5.446037 
1 1 1 -3  7   6  o 667.918 12.240  60288.53  2189.25   58782.85  3094.94   61796.39  3097.18   659.498 17.521  676.338 17.097  -16.84045      24.48005 
1 1 1 -3  7   7  o 358.455 6.6581  17253.15  639.196   17516.44  904.190   16990.13  903.731   361.195 9.3461  355.714 9.4853  5.481323       13.31611 
1 1 1 -3  7   8  o 544.979 10.031  40005.91  1464.00   39243.69  2069.78   40769.07  2071.03   539.755 14.317  550.203 14.053  -10.44794      20.06132 
1 1 1 -3  7   9  o 419.931 7.7319  23698.07  869.631   23460.99  1229.55   23935.38  1230.14   417.822 10.987  422.039 10.882  -4.216888      15.46372 
1 1 1 -3  7   10 f 570.344 10.541  43859.57  1610.27   43487.43  2276.93   44231.93  2277.60   567.908 14.969  572.780 14.846  -4.872314      21.08212 
1 1 1 -3  7   11 o 294.119 5.5601  11611.02  437.933   11888.39  619.507   11333.97  619.156   297.638 7.7709  290.600 7.9545  7.037384       11.12029 
1 1 1 -3  7   12 o 158.437 3.2430  3364.86   137.609   3417.67   194.601   3312.04   194.616   159.682 4.5499  157.193 4.6223  2.489151       6.485914 
1 1 1 -3  7   13 o 283.866 5.3765  10824.65  408.764   10670.37  577.846   10979.18  578.312   281.835 7.6547  285.896 7.5521  -4.060944      10.75304 
1 1 1 -3  7   14 f 269.116 5.1150  9734.78   368.697   9709.48   521.260   9760.11   521.572   268.765 7.2409  269.466 7.2264  -0.7019043     10.22992 
1 1 1 -3  7   15 o 213.255 4.1162  6109.74   235.115   6087.54   332.320   6131.99   332.686   212.866 5.8286  213.643 5.8137  -0.7773743     8.232354 
1 1 1 -3  7   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  7   17 o 117.285 2.5870  1846.10   81.242    1899.56   114.792   1792.45   114.997   118.990 3.6017  115.580 3.7146  3.409782       5.174045 
1 1 1 -3  7   18 o 115.126 2.6256  1778.90   80.957    1802.49   114.373   1755.22   114.609   115.893 3.6845  114.359 3.7416  1.533691       5.251211 
1 1 1 -3  7   19 f 49.021  1.8267  323.092   23.899    324.856   33.682    321.304   33.916    49.157  2.5671  48.884  2.5996  0.2725639      3.653479 
1 1 1 -3  7   20 o 88.186  2.2181  1043.29   52.388    1023.08   73.853    1063.77   74.326    87.325  3.1575  89.047  3.1162  -1.721893      4.436290 
1 1 1 -3  7   21 o 153.897 3.2315  3184.54   133.163   3082.30   187.897   3287.71   188.747   151.407 4.6333  156.387 4.5060  -4.980545      6.463047 
1 1 1 -3  7   22 o 244.247 4.7549  8064.66   310.796   7660.92   438.831   8470.99   440.237   238.059 6.8821  250.435 6.5630  -12.37543      9.509828 
1 1 1 -3  7   23 o 140.179 3.0400  2642.66   114.135   2667.15   161.168   2618.03   161.657   140.834 4.2725  139.524 4.3257  1.309937       6.079967 
1 1 1 -3  7   24 o 39.919  1.9490  215.643   20.614    236.887   28.995    193.933   29.311    41.939  2.5939  37.900  2.9096  4.039780       3.898007 
1 1 1 -3  7   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  7   26 o 110.138 2.5937  1634.07   76.513    1611.83   107.889   1656.58   108.524   109.382 3.6825  110.895 3.6536  -1.513031      5.187484 
1 1 1 -3  7   27 o 52.060  1.9603  365.687   27.224    386.502   38.248    344.314   38.758    53.614  2.6635  50.506  2.8769  3.108154       3.920561 
1 1 1 -3  7   28 o 68.773  2.0943  638.625   38.488    686.715   54.310    590.107   54.551    71.396  2.8400  66.150  3.0788  5.246490       4.188646 
1 1 1 -3  7   29 o 6.5791  2.0987  -5.8088   7.8310    -5.8202   10.864    -5.7965   11.298    6.4987  2.9345  6.6594  3.0011  -0.1606469     4.197376 
1 1 1 -3  7   30 o 69.385  2.1249  651.419   39.491    646.653   55.674    656.245   56.024    69.130  3.0068  69.641  3.0034  -0.5115891     4.249852 
1 1 1 -3  7   31 o 33.268  1.9843  150.942   17.498    157.606   24.658    144.183   24.835    34.029  2.7283  32.507  2.8821  1.521812       3.968651 
1 1 1 -3  7   32 o 21.772  2.3879  66.531    13.354    75.324    18.682    57.343    19.096    23.356  3.0599  20.187  3.6667  3.168667       4.775773 
1 1 1 -3  7   33 o 25.018  2.3087  86.979    15.050    89.189    20.672    84.487    21.955    25.403  3.1025  24.633  3.4198  0.7702065      4.617413 
1 1 1 -3  7   34 o 17.446  2.7451  43.886    12.492    47.080    17.174    40.298    18.202    18.178  3.6541  16.715  4.0974  1.463064       5.490105 
1 1 1 -3  7   35 o 15.840  2.7968  36.146    11.868    31.022    16.325    41.888    17.283    14.659  4.0318  17.022  3.8774  -2.362460      5.593677 
1 1 1 -3  7   36 o 33.603  2.1947  157.074   19.512    148.693   27.105    166.089   28.112    32.653  3.1377  34.553  3.0694  -1.900440      4.389373 
1 1 1 -3  7   37 o 44.529  2.0859  276.218   24.712    289.189   34.885    263.154   35.011    45.629  2.8689  43.430  3.0287  2.199165       4.171790 
1 1 1 -3  7   38 o 23.448  2.5396  79.701    15.414    74.964    21.888    84.362    21.710    22.675  3.7338  24.221  3.4433  -1.546104      5.079159 
1 1 1 -3  7   39 o 10.231  2.7116  8.8933    11.149    -5.1673   15.928    22.397    15.610    7.9961  3.5868  12.466  4.0677  -4.469459      5.423231 
1 1 1 -3  7   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  7   41 o 16.262  3.2278  41.370    14.648    36.253    19.922    47.390    21.611    15.212  4.5423  17.311  4.5872  -2.099026      6.455642 
1 1 1 -3  7   42 o 16.539  2.8914  42.731    15.244    76.694    21.429    7.9381    21.689    22.521  3.6796  10.557  4.4610  11.96327       5.782781 
1 1 1 -3  8   1  o 474.324 17.605  30433.22  2236.72   0.0000    0.0000    30433.22  2236.72   ?       ?       474.324 17.605  ?              ?        
1 1 1 -3  8   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  8   3  o 332.592 6.1873  14849.56  551.191   14882.60  779.625   14816.53  779.379   332.963 8.7418  332.222 8.7585  0.7413635      12.37461 
1 1 1 -3  8   4  o 84.386  2.0999  953.984   47.452    981.328   67.287    926.929   66.929    85.590  2.9351  83.183  3.0039  2.406586       4.199800 
1 1 1 -3  8   5  o 80.803  2.0534  874.614   44.441    882.521   63.007    866.785   62.693    81.167  2.8981  80.440  2.9098  0.7270126      4.106822 
1 1 1 -3  8   6  o 861.113 15.883  100744.20 3663.47   100790.60 5181.10   100697.90 5180.75   861.313 22.458  860.912 22.467  0.4011841      31.76679 
1 1 1 -3  8   7  o 359.464 6.7574  17349.86  650.619   17361.21  920.182   17338.51  920.048   359.582 9.5540  359.346 9.5589  0.2357178      13.51489 
1 1 1 -3  8   8  o 196.278 3.8332  5165.48   201.419   4970.86   284.696   5360.52   285.003   192.572 5.5195  199.984 5.3207  -7.411789      7.666443 
1 1 1 -3  8   9  o 215.182 4.1290  6207.79   237.980   6236.01   336.559   6179.57   336.550   215.672 5.8261  214.693 5.8525  0.9791565      8.258069 
1 1 1 -3  8   10 o 406.689 7.5873  22240.87  826.469   22034.74  1168.54   22447.19  1169.07   404.796 10.777  408.582 10.682  -3.785553      15.17463 
1 1 1 -3  8   11 o 267.593 5.0974  9611.09   365.341   9508.08   516.484   9714.25   516.855   266.155 7.2449  269.031 7.1726  -2.876068      10.19486 
1 1 1 -3  8   12 o 175.409 3.4714  4127.86   162.987   4306.60   230.609   3949.46   230.389   179.210 4.8043  171.609 5.0123  7.601288       6.942876 
1 1 1 -3  8   13 o 170.843 3.4409  3915.75   157.446   3866.46   222.533   3965.16   222.791   169.765 4.8939  171.921 4.8382  -2.156494      6.881739 
1 1 1 -3  8   14 o 187.498 3.7135  4720.60   186.491   4747.00   263.661   4694.18   263.815   188.024 5.2353  186.972 5.2679  1.052017       7.426915 
1 1 1 -3  8   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  8   16 o 195.968 3.9229  5165.10   205.898   5226.04   291.111   5104.09   291.256   197.130 5.5134  194.806 5.5819  2.323761       7.845717 
1 1 1 -3  8   17 o 127.135 2.7446  2170.67   93.395    2263.15   132.044   2078.08   132.116   129.852 3.7965  124.417 3.9645  5.434860       5.489112 
1 1 1 -3  8   18 o 133.519 2.8627  2394.06   102.375   2409.01   144.619   2379.04   144.942   133.938 4.0312  133.099 4.0656  0.8388214      5.725369 
1 1 1 -3  8   19 o 124.982 2.7310  2097.48   91.418    2070.07   129.064   2125.07   129.506   124.161 3.8809  125.803 3.8434  -1.641624      5.461916 
1 1 1 -3  8   20 o 255.430 4.9223  8815.60   336.763   8774.88   475.976   8856.42   476.534   254.835 6.9733  256.024 6.9490  -1.189087      9.844569 
1 1 1 -3  8   21 o 88.427  2.2884  1049.30   54.191    1023.86   76.368    1075.10   76.910    87.346  3.2642  89.508  3.2080  -2.162117      4.576720 
1 1 1 -3  8   22 o 88.323  2.2177  1046.94   52.462    1030.74   73.896    1063.39   74.492    87.634  3.1482  89.013  3.1244  -1.378548      4.435401 
1 1 1 -3  8   23 o 85.547  2.2198  982.679   50.830    937.257   71.518    1029.05   72.257    83.545  3.1960  87.548  3.0814  -4.003601      4.439506 
1 1 1 -3  8   24 o 101.895 2.4352  1395.98   66.440    1350.73   93.627    1441.89   94.298    100.226 3.4876  103.563 3.3994  -3.337341      4.870302 
1 1 1 -3  8   25 o 127.029 2.7753  2175.22   94.387    2093.61   133.025   2257.96   133.948   124.616 3.9854  129.441 3.8634  -4.824905      5.550631 
1 1 1 -3  8   26 o 20.884  2.2457  60.027    12.122    53.557    16.888    66.904    17.411    19.673  3.3233  22.095  3.0213  -2.421429      4.491365 
1 1 1 -3  8   27 o 36.671  1.9344  181.750   18.825    166.740   26.111    197.995   27.164    35.079  2.8024  38.264  2.6672  -3.184795      3.868780 
1 1 1 -3  8   28 o 99.404  2.4625  1337.57   65.553    1305.36   92.340    1370.30   93.078    98.188  3.5111  100.619 3.4536  -2.430298      4.924952 
1 1 1 -3  8   29 o 35.437  1.9593  170.551   18.387    153.205   25.627    188.952   26.396    33.550  2.8796  37.325  2.6576  -3.775043      3.918568 
1 1 1 -3  8   30 o 50.197  1.9558  341.757   26.178    326.178   36.769    357.772   37.280    49.023  2.8120  51.371  2.7191  -2.348171      3.911582 
1 1 1 -3  8   31 o 45.297  1.9986  279.027   24.124    274.488   33.767    283.760   34.477    44.921  2.8207  45.674  2.8322  -0.7523155     3.997224 
1 1 1 -3  8   32 o 19.051  2.5867  51.315    12.703    44.181    17.704    58.885    18.236    17.608  3.8604  20.494  3.4441  -2.886763      5.173437 
1 1 1 -3  8   33 o 28.229  2.1609  110.038   16.048    102.402   22.532    117.898   22.861    27.198  3.1514  29.260  2.9575  -2.062763      4.321841 
1 1 1 -3  8   34 o 24.831  2.3724  87.549    15.029    105.051   21.069    69.420    21.443    27.569  2.8966  22.094  3.7580  5.475000       4.744781 
1 1 1 -3  8   35 o 53.786  2.1068  399.302   30.226    396.461   42.223    402.288   43.288    53.604  2.9522  53.968  3.0065  -0.3642883     4.213610 
1 1 1 -3  8   36 o 24.966  2.4418  89.025    15.806    94.305    21.821    83.196    22.925    25.852  3.2211  24.079  3.6706  1.773062       4.883556 
1 1 1 -3  8   37 o 25.053  2.4407  90.113    15.901    92.883    22.005    87.086    23.004    25.533  3.2944  24.572  3.6020  0.9610615      4.881363 
1 1 1 -3  8   38 o 6.9396  2.2661  -9.6807   9.8529    -10.1813  13.780    -9.1572   14.093    6.8382  3.1679  7.0411  3.2411  -0.2028308     4.532151 
1 1 1 -3  8   39 o 8.0475  2.5142  -2.6342   10.634    -3.0953   15.467    -2.2210   14.644    8.1045  3.5911  7.9906  3.5197  0.1139374      5.028368 
1 1 1 -3  8   40 o 26.098  2.5235  99.766    17.148    92.709    23.890    107.265   24.627    25.075  3.6653  27.122  3.4696  -2.046724      5.047078 
1 1 1 -3  8   41 o 19.819  3.0877  62.542    16.022    73.694    22.303    50.648    23.032    21.979  3.9329  17.658  4.7611  4.321440       6.175430 
1 1 1 -3  9   1  o 277.247 5.2570  10314.22  390.241   10643.32  552.011   9985.43   551.756   281.676 7.3166  272.817 7.5507  8.859100       10.51405 
1 1 1 -3  9   2  o 266.883 5.0323  9554.49   359.668   9763.81   508.842   9345.49   508.451   269.809 7.0411  263.957 7.1916  5.851685       10.06460 
1 1 1 -3  9   3  o 220.831 4.2469  6538.09   251.188   6611.31   355.385   6464.99   355.083   222.068 5.9748  219.594 6.0370  2.473587       8.493740 
1 1 1 -3  9   4  o 395.746 7.3251  21039.88  776.445   20889.50  1098.10   21190.23  1098.02   394.328 10.397  397.165 10.322  -2.837158      14.65019 
1 1 1 -3  9   5  o 105.877 2.4162  1501.83   68.517    1491.23   97.077    1512.35   96.720    105.504 3.4352  106.249 3.3986  -0.7449722     4.832338 
1 1 1 -3  9   6  o 467.681 8.5852  29419.19  1075.37   29001.76  1520.62   29836.82  1520.98   464.349 12.226  471.014 12.056  -6.665741      17.17040 
1 1 1 -3  9   7  o 223.025 4.3102  6668.94   257.474   6718.04   364.302   6619.93   363.944   223.846 6.0761  222.204 6.1150  1.642105       8.620419 
1 1 1 -3  9   8  o 185.461 3.6349  4610.54   180.560   4661.54   255.489   4559.65   255.212   186.487 5.1149  184.436 5.1662  2.051071       7.269883 
1 1 1 -3  9   9  o 345.842 6.4455  16068.70  597.049   16203.02  844.503   15934.47  844.206   347.291 9.0786  344.393 9.1518  2.898621       12.89092 
1 1 1 -3  9   10 o 227.826 4.3238  6964.34   263.785   7145.79   373.170   6783.13   372.926   230.798 6.0365  224.855 6.1920  5.942642       8.647561 
1 1 1 -3  9   11 o 293.433 5.5368  11574.71  435.094   11321.21  614.995   11828.75  615.638   290.204 7.9119  296.661 7.7478  -6.456421      11.07363 
1 1 1 -3  9   12 f 437.466 8.1530  25900.61  955.034   25155.21  1349.88   26647.66  1351.36   431.100 11.690  443.832 11.367  -12.73203      16.30597 
1 1 1 -3  9   13 o 333.603 6.2896  15023.96  561.921   15330.05  794.821   14718.11  794.532   337.027 8.8047  330.180 8.9841  6.847473       12.57920 
1 1 1 -3  9   14 o 16.694  4.3123  38.816    19.419    38.816    19.419    0.0000    0.0000    16.694  4.3123  ?       ?       ?              ?        
1 1 1 -3  9   15 o 178.866 3.5882  4300.21   171.892   4360.72   243.042   4239.65   243.141   180.129 5.0374  177.602 5.1112  2.527267       7.176342 
1 1 1 -3  9   16 o 121.932 2.6498  1995.47   86.537    2011.76   122.309   1979.14   122.455   122.432 3.7297  121.433 3.7649  0.9991455      5.299548 
1 1 1 -3  9   17 o 210.695 4.1586  5980.48   234.620   6144.28   331.816   5816.71   331.788   213.597 5.7998  207.793 5.9613  5.804474       8.317138 
1 1 1 -3  9   18 o 54.407  1.9238  397.690   27.964    413.893   39.492    381.397   39.602    55.558  2.6538  53.256  2.7859  2.301517       3.847592 
1 1 1 -3  9   19 o 203.837 4.0072  5597.18   218.774   5542.68   309.102   5651.89   309.686   202.838 5.6894  204.836 5.6445  -1.997971      8.014307 
1 1 1 -3  9   20 o 141.997 3.0049  2709.85   114.277   2659.76   161.333   2760.29   161.894   140.676 4.2817  143.318 4.2174  -2.641479      6.009882 
1 1 1 -3  9   21 o 153.895 3.2544  3186.94   134.118   3259.41   189.553   3114.27   189.792   155.656 4.5465  152.134 4.6576  3.522018       6.508739 
1 1 1 -3  9   22 o 94.006  2.3385  1186.97   58.853    1139.39   82.924    1235.27   83.541    92.103  3.3614  95.909  3.2520  -3.805809      4.677015 
1 1 1 -3  9   23 f 42.422  1.8926  242.533   21.392    242.657   30.020    242.405   30.490    42.435  2.6545  42.409  2.6982  0.2639008E-01  3.785107 
1 1 1 -3  9   24 f 112.431 2.6066  1702.89   78.398    1595.82   110.287   1812.26   111.466   108.841 3.7831  116.022 3.5869  -7.180748      5.213181 
1 1 1 -3  9   25 o 55.404  1.9422  413.125   28.761    397.326   40.339    429.460   41.017    54.288  2.7835  56.520  2.7095  -2.231728      3.884482 
1 1 1 -3  9   26 o 76.918  2.1613  797.356   44.525    798.859   62.686    795.826   63.254    76.994  3.0397  76.843  3.0732  0.1515808      4.322532 
1 1 1 -3  9   27 o 85.377  2.2695  984.841   51.897    982.560   73.049    987.166   73.742    85.280  3.1980  85.474  3.2210  -0.1942444     4.538948 
1 1 1 -3  9   28 o 89.368  2.3125  1081.77   55.351    1084.11   77.952    1079.40   78.607    89.470  3.2528  89.265  3.2877  0.2052765      4.624910 
1 1 1 -3  9   29 o 19.136  2.3820  51.528    11.654    40.371    16.360    63.022    16.605    16.897  3.7158  21.375  2.9814  -4.477957      4.764048 
1 1 1 -3  9   30 o 25.314  2.1480  88.137    14.271    87.345    19.963    88.964    20.409    25.201  3.0175  25.428  3.0578  -0.2269917     4.295983 
1 1 1 -3  9   31 o 59.709  2.0349  484.236   32.535    489.923   45.653    478.368   46.377    60.077  2.8371  59.341  2.9178  0.7356186      4.069754 
1 1 1 -3  9   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  9   33 o 55.125  2.0634  416.670   30.349    422.968   42.640    410.205   43.205    55.567  2.8748  54.683  2.9608  0.8840065      4.126842 
1 1 1 -3  9   34 o 11.573  2.7837  16.602    10.805    25.404    15.314    7.8781    15.246    13.345  3.9820  9.8003  3.8910  3.545155       5.567441 
1 1 1 -3  9   35 o 7.0108  2.2329  -9.3815   9.1939    -18.7944  12.506    1.6879    13.562    5.6801  2.7402  8.3416  3.5263  -2.661539      4.465819 
1 1 1 -3  9   36 o 32.169  2.2258  145.679   18.921    139.201   26.482    152.435   27.042    31.411  3.1920  32.927  3.1028  -1.516459      4.451530 
1 1 1 -3  9   37 o 18.176  2.9888  49.869    14.355    58.419    20.416    41.511    20.187    19.834  3.9814  16.518  4.4588  3.315874       5.977642 
1 1 1 -3  9   38 o 10.781  2.8821  10.978    12.142    -0.4888   16.870    23.304    17.490    8.7932  3.8277  12.768  4.3099  -3.974564      5.764238 
1 1 1 -3  9   39 o 25.315  2.8179  97.081    17.990    120.751   25.269    72.755    25.617    28.935  3.3205  21.694  4.5538  7.241879       5.635847 
1 1 1 -3  9   40 o 13.200  2.5265  18.513    12.884    -18.5917  18.313    54.877    18.130    7.3001  3.4656  19.100  3.6772  -11.80002      5.052945 
1 1 1 -3  10  1  f 693.343 12.774  64999.87  2372.34   64948.03  3354.78   65051.73  3355.22   693.064 18.072  693.622 18.060  -0.5574951     25.54881 
1 1 1 -3  10  2  o 217.440 4.1903  6339.40   243.982   6513.21   345.200   6165.91   344.886   220.421 5.8469  214.458 6.0040  5.962860       8.380637 
1 1 1 -3  10  3  o 411.661 7.6195  22771.25  840.148   22726.89  1188.22   22815.60  1188.08   411.259 10.787  412.064 10.764  -0.8047791     15.23903 
1 1 1 -3  10  4  o 403.687 7.5073  21900.22  811.508   22527.51  1148.34   21274.45  1146.95   409.481 10.470  397.894 10.762  11.58713       15.01467 
1 1 1 -3  10  5  f 494.522 9.1066  32917.14  1206.15   32491.45  1705.65   33342.93  1705.86   491.308 12.961  497.736 12.795  -6.428009      18.21313 
1 1 1 -3  10  6  o 572.253 10.548  44176.31  1616.53   45061.79  2287.03   43292.26  2285.20   578.024 14.772  566.483 15.061  11.54132       21.09591 
1 1 1 -3  10  7  o 220.522 4.2804  6521.56   252.809   6625.26   357.777   6418.15   357.274   222.275 6.0094  218.769 6.0972  3.505890       8.560882 
1 1 1 -3  10  8  o 422.304 7.7851  24005.91  880.599   23938.17  1245.39   24073.64  1245.32   421.705 11.026  422.902 10.994  -1.197784      15.57025 
1 1 1 -3  10  9  o 132.418 2.8200  2350.38   100.008   2396.01   141.597   2304.96   141.269   133.702 3.9539  131.135 4.0220  2.566864       5.640029 
1 1 1 -3  10  10 o 262.332 5.0068  9247.69   351.796   9174.88   497.484   9320.51   497.544   261.296 7.1082  263.369 7.0531  -2.072418      10.01358 
1 1 1 -3  10  11 o 405.030 7.6066  22190.49  825.151   22517.62  1167.19   21863.63  1166.69   408.043 10.679  402.016 10.835  6.026520       15.21326 
1 1 1 -3  10  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  10  13 o 104.662 2.4303  1469.21   68.130    1471.04   96.258    1467.37   96.442    104.728 3.4315  104.596 3.4424  0.1313171      4.860610 
1 1 1 -3  10  14 o 132.043 2.8247  2340.43   99.895    2368.38   141.170   2312.41   141.375   132.834 3.9677  131.251 4.0214  1.583023       5.649322 
1 1 1 -3  10  15 o 44.641  1.7921  268.005   21.339    264.130   30.069    271.938   30.288    44.315  2.5440  44.968  2.5249  -0.6537247     3.584235 
1 1 1 -3  10  16 o 87.963  2.1854  1038.06   51.464    997.247   72.580    1079.33   72.984    86.221  3.1428  89.704  3.0376  -3.483040      4.370798 
1 1 1 -3  10  17 o 104.649 2.4903  1469.87   69.803    1474.65   98.566    1465.07   98.868    104.820 3.5107  104.478 3.5330  0.3421173      4.980680 
1 1 1 -3  10  18 f 86.274  2.2355  998.632   51.657    990.211   72.940    1007.11   73.168    85.909  3.1698  86.639  3.1529  -0.7306290     4.470906 
1 1 1 -3  10  19 o 119.761 2.7169  1926.88   87.119    1984.05   123.078   1869.47   123.332   121.547 3.7805  117.975 3.9030  3.572723       5.433720 
1 1 1 -3  10  20 o 231.695 4.4993  7252.83   279.220   7251.68   394.593   7253.98   395.159   231.678 6.3588  231.712 6.3670  -0.3416443E-01 8.998508 
1 1 1 -3  10  21 o 88.983  2.2413  1063.58   53.391    1100.00   75.390    1026.94   75.623    90.516  3.1095  87.450  3.2286  3.066017       4.482504 
1 1 1 -3  10  22 o 99.102  2.4156  1320.34   64.098    1275.34   90.321    1366.00   90.978    97.396  3.4622  100.809 3.3694  -3.412605      4.831139 
1 1 1 -3  10  23 o 31.264  2.1213  132.747   17.518    138.824   24.578    126.473   24.976    32.012  2.8979  30.516  3.0986  1.496025       4.242531 
1 1 1 -3  10  24 o 140.557 3.0144  2670.65   113.485   2656.00   160.203   2685.41   160.784   140.169 4.2671  140.945 4.2590  -0.7765808     6.028818 
1 1 1 -3  10  25 o 18.531  2.3635  48.314    11.185    60.043    15.829    36.617    15.806    20.919  2.9032  16.143  3.7305  4.776230       4.727032 
1 1 1 -3  10  26 o 66.426  2.0316  594.992   36.138    578.285   50.861    612.028   51.357    65.480  2.8999  67.372  2.8460  -1.892029      4.063136 
1 1 1 -3  10  27 o 25.467  2.1017  89.252    13.931    101.764   19.707    76.755    19.696    27.327  2.7289  23.607  3.1972  3.720278       4.203454 
1 1 1 -3  10  28 o 70.012  2.1371  663.742   40.074    654.072   56.384    673.613   56.966    69.495  3.0291  70.529  3.0155  -1.033974      4.274153 
1 1 1 -3  10  29 o 54.077  2.0243  397.556   29.188    413.253   41.041    381.488   41.521    55.181  2.7857  52.973  2.9378  2.208309       4.048595 
1 1 1 -3  10  30 o 93.337  2.3839  1188.28   59.573    1142.09   83.715    1235.67   84.793    91.476  3.4167  95.197  3.3254  -3.720673      4.767827 
1 1 1 -3  10  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  10  32 o 49.326  2.0481  333.388   26.931    333.693   37.650    333.068   38.540    49.363  2.8598  49.288  2.9325  0.7438660E-01  4.096106 
1 1 1 -3  10  33 o 19.234  2.7570  53.774    13.695    60.351    18.986    46.640    19.774    20.589  3.5723  17.879  4.2004  2.710276       5.514031 
1 1 1 -3  10  34 o 18.258  2.8015  49.013    13.305    53.962    18.340    43.515    19.330    19.341  3.6744  17.175  4.2298  2.166082       5.602926 
1 1 1 -3  10  35 o 11.702  2.8174  18.033    10.859    24.616    15.322    11.391    15.391    13.051  4.0025  10.353  3.9663  2.697809       5.634831 
1 1 1 -3  10  36 o 21.786  2.6236  69.116    14.749    64.887    20.434    73.714    21.308    21.054  3.7617  22.519  3.6583  -1.465162      5.247229 
1 1 1 -3  10  37 o 7.3723  2.3822  -8.4320   10.567    -4.7709   14.400    -12.7038  15.555    7.6230  3.4156  7.1216  3.3216  0.5013928      4.764392 
1 1 1 -3  10  38 o 8.1207  3.7940  -15.7965  20.429    -15.7965  20.429    0.0000    0.0000    8.1207  3.7940  ?       ?       ?              ?        
1 1 1 -3  10  39 f 33.500  2.4162  163.334   21.375    162.320   29.960    164.385   30.504    33.410  3.3950  33.590  3.4390  -0.1798706     4.832469 
1 1 1 -3  10  40 o 15.434  3.1807  38.330    14.433    26.705    20.361    50.068    20.461    13.182  4.6421  17.686  4.3494  -4.503931      6.361350 
1 1 1 -3  11  1  o 50.553  1.7808  342.941   24.054    355.785   33.961    330.009   34.076    51.538  2.4601  49.568  2.5754  1.969353       3.561619 
1 1 1 -3  11  2  o 150.461 3.1141  3033.67   125.497   3063.47   177.485   3003.87   177.474   151.200 4.3825  149.721 4.4255  1.479034       6.228245 
1 1 1 -3  11  3  o 638.908 11.791  55142.25  2017.60   54253.33  2852.74   56031.91  2853.91   633.713 16.807  644.104 16.542  -10.39087      23.58197 
1 1 1 -3  11  4  o 83.051  2.1894  924.022   48.703    923.701   69.068    924.339   68.687    83.036  3.1054  83.065  3.0872  -0.2883911E-01 4.378864 
1 1 1 -3  11  5  o 220.980 4.3152  6549.69   255.354   6386.04   361.230   6713.15   361.021   218.217 6.1803  223.743 6.0241  -5.526672      8.630497 
1 1 1 -3  11  6  o 157.431 3.2066  3322.02   135.208   3361.73   191.506   3282.55   190.922   158.369 4.5146  156.492 4.5549  1.877335       6.413165 
1 1 1 -3  11  7  o 230.647 4.5018  7138.78   278.113   7176.19   393.557   7101.46   393.065   231.251 6.3538  230.042 6.3792  1.209106       9.003641 
1 1 1 -3  11  8  o 332.707 6.2068  14895.97  553.067   15135.48  782.498   14656.87  781.812   335.392 8.7105  330.022 8.8444  5.369293       12.41356 
1 1 1 -3  11  9  o 106.073 2.4132  1508.23   68.563    1502.40   97.084    1514.04   96.843    105.868 3.4237  106.278 3.4020  -0.4099655     4.826498 
1 1 1 -3  11  10 o 77.869  2.0677  812.745   43.120    831.493   61.145    794.196   60.817    78.763  2.8983  76.975  2.9498  1.787872       4.135376 
1 1 1 -3  11  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  11  12 o 286.141 5.4450  11052.40  417.276   10864.73  589.927   11240.31  590.309   283.692 7.7636  288.591 7.6367  -4.898926      10.89004 
1 1 1 -3  11  13 o 164.121 3.3230  3619.07   146.076   3637.58   206.514   3600.53   206.650   164.542 4.6858  163.699 4.7130  0.8431091      6.646004 
1 1 1 -3  11  14 o 136.916 2.9439  2517.46   107.962   2517.46   152.578   2517.47   152.784   136.916 4.1605  136.916 4.1661  0.3509521E-03  5.887850 
1 1 1 -3  11  15 o 74.394  2.0640  742.364   41.113    717.831   58.019    767.109   58.268    73.158  2.9609  75.630  2.8764  -2.472542      4.128012 
1 1 1 -3  11  16 o 120.929 2.6990  1963.59   87.420    1976.75   123.503   1950.36   123.757   121.337 3.8001  120.521 3.8337  0.8152924      5.397978 
1 1 1 -3  11  17 o 36.080  1.9885  175.617   19.063    172.639   26.783    178.675   27.139    35.767  2.8185  36.392  2.8058  -0.6248894     3.977051 
1 1 1 -3  11  18 o 252.468 4.8592  8615.68   328.569   8478.08   464.272   8753.76   465.062   250.431 6.9214  254.504 6.8222  -4.072769      9.718489 
1 1 1 -3  11  19 o 134.240 2.9062  2422.61   104.487   2457.76   147.579   2387.28   147.954   135.221 4.0747  133.260 4.1451  1.961502       5.812495 
1 1 1 -3  11  20 o 179.695 3.6034  4354.23   173.422   4413.73   245.039   4294.52   245.474   180.934 5.0562  178.455 5.1355  2.478943       7.206877 
1 1 1 -3  11  21 o 60.381  2.9811  502.232   46.950    557.359   63.018    433.459   70.387    64.265  3.6762  56.497  4.6939  7.768902       5.962149 
1 1 1 -3  11  22 o 50.387  2.0008  342.933   26.794    376.694   37.948    309.367   37.838    52.889  2.6876  47.886  2.9646  5.003811       4.001508 
1 1 1 -3  11  23 o 134.334 2.9486  2438.54   106.082   2390.64   149.650   2486.92   150.400   132.999 4.2009  135.669 4.1388  -2.669754      5.897203 
1 1 1 -3  11  24 o 73.099  2.1018  719.708   41.145    700.927   57.859    738.922   58.521    72.131  2.9947  74.067  2.9498  -1.935684      4.203568 
1 1 1 -3  11  25 o 72.771  2.1121  714.438   41.143    681.639   57.792    748.144   58.585    71.069  3.0360  74.473  2.9370  -3.404594      4.224107 
1 1 1 -3  11  26 o 63.750  2.0480  548.932   34.969    540.672   49.253    557.329   49.657    63.265  2.9066  64.236  2.8861  -0.9710388     4.096101 
1 1 1 -3  11  27 o 29.957  2.0169  122.372   15.982    118.242   22.350    126.693   22.863    29.432  2.8717  30.482  2.8327  -1.050663      4.033703 
1 1 1 -3  11  28 o 98.630  2.4686  1324.64   65.210    1298.47   91.845    1351.23   92.600    97.638  3.5119  99.622  3.4703  -1.983582      4.937295 
1 1 1 -3  11  29 o 59.514  2.0549  481.576   32.684    495.777   46.032    467.138   46.414    60.453  2.8429  58.575  2.9680  1.877411       4.109862 
1 1 1 -3  11  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  11  31 o 37.985  2.1170  200.400   21.032    235.630   29.544    164.204   29.947    41.524  2.6705  34.445  3.2857  7.078861       4.234049 
1 1 1 -3  11  32 o 20.256  2.6736  59.145    13.854    41.783    19.198    78.009    20.011    16.924  4.2431  23.588  3.2540  -6.664015      5.347189 
1 1 1 -3  11  33 o 53.026  2.1114  389.007   29.863    389.856   41.941    388.134   42.529    53.099  2.9607  52.953  3.0109  0.1460686      4.222722 
1 1 1 -3  11  34 o 19.063  2.7709  53.106    13.701    39.925    18.796    68.050    20.013    16.376  4.2487  21.751  3.5582  -5.375858      5.541895 
1 1 1 -3  11  35 o 13.242  3.0717  25.095    12.600    27.516    18.074    22.806    17.575    13.727  4.3677  12.757  4.3203  0.9701729      6.143394 
1 1 1 -3  11  36 o 16.167  3.0120  39.682    13.318    45.268    18.662    33.886    19.011    17.354  4.0831  14.980  4.4290  2.373470       6.023948 
1 1 1 -3  11  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  11  38 o 22.736  2.7571  77.572    16.166    82.381    22.837    72.742    22.888    23.547  3.7462  21.925  4.0464  1.621958       5.514301 
1 1 1 -3  11  39 o 13.058  3.1449  25.201    13.852    13.571    19.875    36.186    19.318    11.068  4.4269  15.049  4.4682  -3.981061      6.289856 
1 1 1 -3  12  1  o 176.299 3.5149  4166.12   165.970   4215.99   234.563   4116.12   234.872   177.356 4.9377  175.241 5.0039  2.115051       7.029894 
1 1 1 -3  12  2  o 386.114 7.1432  20038.25  738.643   19641.68  1044.19   20435.45  1045.01   382.276 10.198  389.951 10.005  -7.674194      14.28636 
1 1 1 -3  12  3  o 84.982  2.1734  967.549   49.468    983.894   70.080    951.318   69.837    85.698  3.0531  84.266  3.0942  1.431061       4.346854 
1 1 1 -3  12  4  o 343.164 6.4267  15826.36  590.711   15878.87  835.614   15773.91  835.170   343.734 9.0760  342.593 9.1014  1.141235       12.85335 
1 1 1 -3  12  5  o 182.935 3.6709  4487.91   179.859   4550.08   254.682   4426.05   254.038   184.200 5.1620  181.670 5.2207  2.530609       7.341779 
1 1 1 -3  12  6  o 252.601 4.8210  8573.69   325.933   8187.81   460.872   8959.79   461.005   246.896 6.9691  258.306 6.6632  -11.40971      9.641911 
1 1 1 -3  12  7  o 320.588 6.0314  13843.30  517.657   13343.82  731.892   14343.28  732.265   314.769 8.6809  326.407 8.3757  -11.63852      12.06276 
1 1 1 -3  12  8  o 354.909 6.6031  17006.37  627.542   16561.48  887.254   17451.71  887.702   350.228 9.4582  359.591 9.2166  -9.363251      13.20616 
1 1 1 -3  12  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  12  10 o 162.698 3.3345  3554.99   145.311   3544.31   205.624   3565.63   205.378   162.453 4.7256  162.943 4.7058  -0.4897461     6.668995 
1 1 1 -3  12  11 o 231.041 4.5021  7189.88   278.584   7088.79   393.989   7290.96   393.966   229.408 6.4119  232.674 6.3215  -3.266907      9.004120 
1 1 1 -3  12  12 o 137.816 2.9554  2550.45   109.095   2543.34   154.342   2557.56   154.227   137.624 4.1870  138.009 4.1722  -0.3854828     5.910823 
1 1 1 -3  12  13 f 29.067  1.8218  114.197   14.029    110.126   19.837    118.271   19.844    28.539  2.6244  29.594  2.5276  -1.054680      3.643675 
1 1 1 -3  12  14 o 59.425  1.9176  473.552   30.519    482.797   43.207    464.346   43.114    60.004  2.6883  58.845  2.7354  1.159023       3.835287 
1 1 1 -3  12  15 o 199.003 3.9386  5333.10   209.935   5361.16   296.814   5305.02   296.972   199.530 5.5537  198.477 5.5862  1.053726       7.877169 
1 1 1 -3  12  16 o 57.669  1.9714  446.037   30.450    449.806   43.057    442.267   43.068    57.913  2.7757  57.425  2.8000  0.4881134      3.942713 
1 1 1 -3  12  17 o 93.264  2.3298  1167.41   58.198    1154.57   82.176    1180.34   82.433    92.748  3.3079  93.779  3.2817  -1.031120      4.659605 
1 1 1 -3  12  18 o 180.281 3.6494  4379.02   176.222   4358.61   248.998   4399.50   249.433   179.858 5.1686  180.703 5.1535  -0.8449860     7.298833 
1 1 1 -3  12  19 o 85.212  2.2181  974.973   50.622    959.244   71.297    990.963   71.887    84.518  3.1494  85.906  3.1242  -1.387848      4.436146 
1 1 1 -3  12  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  12  21 o 130.224 2.8625  2286.81   99.826    2228.48   140.787   2345.79   141.566   128.545 4.0890  131.903 4.0070  -3.358459      5.725011 
1 1 1 -3  12  22 o 59.024  1.9672  468.665   31.083    486.518   43.933    450.772   43.983    60.155  2.7266  57.893  2.8364  2.261356       3.934430 
1 1 1 -3  12  23 o 123.843 2.7766  2075.21   92.094    2038.97   129.855   2111.88   130.631   122.748 3.9496  124.939 3.9036  -2.190498      5.553113 
1 1 1 -3  12  24 o 13.435  2.4546  24.728    9.5322    38.515    13.659    11.640    13.309    16.615  3.1852  10.256  3.7355  6.359539       4.909125 
1 1 1 -3  12  25 o 58.013  2.0141  455.288   31.163    416.776   43.726    495.039   44.424    55.461  2.9542  60.565  2.7385  -5.104504      4.028176 
1 1 1 -3  12  26 o 49.725  1.9852  335.173   26.323    322.364   36.863    348.498   37.599    48.747  2.8356  50.703  2.7792  -1.956329      3.970422 
1 1 1 -3  12  27 o 40.790  1.9746  226.308   21.366    202.858   29.878    250.847   30.564    38.590  2.9121  42.989  2.6676  -4.399319      3.949173 
1 1 1 -3  12  28 o 27.622  2.1649  104.852   15.704    95.605    21.894    114.650   22.538    26.329  3.1681  28.916  2.9514  -2.586430      4.329859 
1 1 1 -3  12  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  12  30 o 29.274  2.2074  119.040   16.931    131.139   23.754    106.544   24.140    30.870  2.9071  27.679  3.3225  3.190561       4.414726 
1 1 1 -3  12  31 o 13.111  2.9124  23.953    11.412    26.237    16.381    21.798    15.907    13.605  4.1316  12.617  4.1058  0.9886246      5.824747 
1 1 1 -3  12  32 o 39.680  2.1156  218.090   22.293    204.824   31.180    231.962   31.885    38.411  3.0559  40.949  2.9263  -2.537663      4.231100 
1 1 1 -3  12  33 o 9.6632  2.3894  3.2684    9.9883    25.171    13.843    -20.5213  14.427    13.162  3.7468  6.1644  2.9663  6.997651       4.778798 
1 1 1 -3  12  34 o 38.679  2.1870  210.316   22.448    214.225   31.324    206.190   32.188    39.096  3.0145  38.263  3.1692  0.8328171      4.373948 
1 1 1 -3  12  35 o 44.861  2.1690  283.375   25.891    289.151   36.311    277.401   36.927    45.372  3.0049  44.351  3.1286  1.021145       4.337914 
1 1 1 -3  12  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  12  37 o 13.804  3.1560  28.593    13.387    24.118    18.662    33.336    19.215    12.899  4.4499  14.710  4.4766  -1.811011      6.312055 
1 1 1 -3  12  38 o 12.112  3.0311  20.535    12.825    29.112    17.616    10.861    18.709    13.690  4.3071  10.533  4.2661  3.156443       6.062251 
1 1 1 -3  13  1  o 206.940 4.0745  5743.68   225.818   5842.99   319.216   5644.20   319.494   208.733 5.7096  205.147 5.8144  3.586639       8.149057 
1 1 1 -3  13  2  o 772.514 14.313  81455.19  2961.67   81708.62  4188.50   81201.77  4188.38   773.739 20.210  771.290 20.274  2.449097       28.62683 
1 1 1 -3  13  3  o 262.481 5.0244  9252.27   353.239   9202.35   499.540   9302.20   499.571   261.771 7.1246  263.191 7.0866  -1.420288      10.04887 
1 1 1 -3  13  4  o 420.128 7.8241  23831.89  880.000   22949.33  1243.94   24716.05  1245.07   412.279 11.265  427.976 10.861  -15.69690      15.64813 
1 1 1 -3  13  5  o 92.338  2.2614  1142.74   55.926    1162.76   79.329    1122.95   78.857    93.142  3.1798  91.533  3.2164  1.609055       4.522857 
1 1 1 -3  13  6  o 198.599 3.9087  5297.52   207.869   5444.78   294.410   5151.13   293.535   201.358 5.4588  195.840 5.5959  5.518661       7.817431 
1 1 1 -3  13  7  o 174.197 7.0912  4085.83   330.866   0.0000    0.0000    4085.83   330.866   ?       ?       174.197 7.0912  ?              ?        
1 1 1 -3  13  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  13  9  o 47.565  1.7935  304.116   22.758    315.300   32.346    293.152   32.026    48.436  2.5018  46.694  2.5705  1.741673       3.586995 
1 1 1 -3  13  10 o 321.726 6.0280  14011.96  519.432   14181.58  734.883   13842.61  734.291   323.691 8.4761  319.760 8.5734  3.930786       12.05607 
1 1 1 -3  13  11 o 131.555 2.8225  2323.80   99.451    2297.24   140.782   2350.25   140.508   130.803 4.0183  132.308 3.9648  -1.504913      5.645044 
1 1 1 -3  13  12 o 152.387 3.1293  3120.25   127.721   3163.79   180.788   3076.87   180.461   153.451 4.3986  151.322 4.4524  2.128647       6.258681 
1 1 1 -3  13  13 o 125.535 2.7512  2116.12   92.506    2105.94   130.867   2126.29   130.780   125.232 3.9014  125.837 3.8801  -0.6053925     5.502409 
1 1 1 -3  13  14 o 82.441  2.2023  911.839   48.627    899.086   68.720    924.629   68.818    81.863  3.1340  83.020  3.0948  -1.156563      4.404560 
1 1 1 -3  13  15 o 181.898 3.6638  4453.59   178.502   4435.43   252.356   4471.78   252.523   181.525 5.1902  182.270 5.1724  -0.7453918     7.327533 
1 1 1 -3  13  16 o 17.127  2.5270  40.855    11.220    44.383    15.990    37.434    15.746    17.880  3.4641  16.374  3.6800  1.506052       5.053929 
1 1 1 -3  13  17 o 137.164 2.9523  2530.77   108.423   2612.96   153.306   2448.52   153.360   139.402 4.1058  134.926 4.2435  4.476089       5.904698 
1 1 1 -3  13  18 o 172.465 3.5205  4011.72   162.623   3980.03   229.766   4043.53   230.202   171.779 4.9937  173.151 4.9636  -1.372253      7.040928 
1 1 1 -3  13  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  13  20 o 33.519  2.0006  152.073   17.792    153.092   25.040    151.033   25.284    33.637  2.8049  33.402  2.8535  0.2348061      4.001235 
1 1 1 -3  13  21 o 36.092  1.9139  176.057   18.352    166.731   25.684    185.786   26.233    35.105  2.7536  37.080  2.6589  -1.975159      3.827829 
1 1 1 -3  13  22 o 69.418  2.0602  649.163   38.304    650.228   53.938    648.080   54.405    69.478  2.8984  69.359  2.9285  0.1190262      4.120340 
1 1 1 -3  13  23 f 82.680  2.2364  923.305   49.519    902.570   69.707    944.430   70.359    81.738  3.1839  83.622  3.1413  -1.883591      4.472728 
1 1 1 -3  13  24 o 63.597  2.0578  546.558   35.043    559.637   49.452    533.365   49.666    64.369  2.8683  62.824  2.9515  1.544754       4.115632 
1 1 1 -3  13  25 o 10.984  2.5506  14.977    9.1939    22.813    12.690    6.3190    13.339    12.771  3.5706  9.1963  3.6432  3.574959       5.101227 
1 1 1 -3  13  26 o 43.599  1.9756  258.315   22.942    250.152   32.317    266.609   32.574    42.894  2.8287  44.304  2.7586  -1.410343      3.951145 
1 1 1 -3  13  27 o 14.570  2.7252  29.994    11.212    41.067    15.830    18.847    15.882    17.032  3.5833  12.109  4.1069  4.923686       5.450393 
1 1 1 -3  13  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  13  29 o 34.233  2.1168  161.108   19.144    144.317   26.615    179.108   27.557    32.338  3.1111  36.129  2.8713  -3.791748      4.233611 
1 1 1 -3  13  30 o 30.617  2.2779  132.597   17.814    165.177   25.092    99.492    25.293    34.673  2.7238  26.561  3.6518  8.111418       4.555737 
1 1 1 -3  13  31 o 8.6889  2.5726  2.6572    10.053    2.3607    14.111    2.9629    14.327    8.6140  3.6167  8.7638  3.6595  -0.1498203     5.145165 
1 1 1 -3  13  32 f 36.276  2.1815  185.635   20.664    217.906   29.056    152.607   29.395    39.670  2.7515  32.881  3.3860  6.789169       4.363014 
1 1 1 -3  13  33 o 22.696  2.6294  74.990    15.367    82.524    21.635    67.319    21.830    23.982  3.4689  21.410  3.9523  2.571951       5.258703 
1 1 1 -3  13  34 o 17.813  2.9744  48.278    14.159    59.785    19.801    36.238    20.255    20.155  3.8074  15.472  4.5709  4.683853       5.948899 
1 1 1 -3  13  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  13  36 o 26.104  2.6295  100.428   17.838    104.031   24.964    96.669    25.499    26.669  3.5855  25.538  3.8472  1.131308       5.258942 
1 1 1 -3  13  37 o 21.415  2.8803  70.508    15.904    73.833    22.232    67.023    22.761    22.052  3.9069  20.779  4.2333  1.273067       5.760592 
1 1 1 -3  14  1  o 78.757  2.0677  831.072   43.611    810.374   61.389    852.162   61.966    77.767  2.9472  79.747  2.9010  -1.980560      4.135406 
1 1 1 -3  14  2  o 295.669 5.5928  11760.88  442.914   11827.75  626.272   11693.97  626.479   296.514 7.8855  294.824 7.9333  1.689789       11.18564 
1 1 1 -3  14  3  o 430.885 8.0336  25134.11  927.169   25118.19  1311.17   25150.03  1311.26   430.747 11.364  431.023 11.358  -0.2755432     16.06713 
1 1 1 -3  14  4  o 88.106  2.1941  1040.58   51.779    1047.61   73.322    1033.59   73.130    88.403  3.0966  87.809  3.1093  0.5938721      4.388237 
1 1 1 -3  14  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  14  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  14  7  o 41.722  1.7788  234.210   19.780    232.297   28.253    236.050   27.701    41.551  2.5510  41.892  2.4797  -0.3407784     3.557592 
1 1 1 -3  14  8  f 24.408  1.8052  80.716    11.607    86.601    16.590    75.074    16.246    25.297  2.4804  23.519  2.6236  1.777592       3.610498 
1 1 1 -3  14  9  o 207.732 4.0467  5808.98   225.156   5777.72   318.616   5840.17   318.222   207.170 5.7418  208.294 5.7038  -1.123764      8.093332 
1 1 1 -3  14  10 o 84.288  2.1687  953.226   48.946    929.321   69.421    976.857   69.021    83.235  3.1138  85.341  3.0195  -2.106331      4.337433 
1 1 1 -3  14  11 o 115.395 2.5988  1787.49   80.317    1817.52   113.850   1757.73   113.324   116.362 3.6529  114.429 3.6974  1.932976       5.197514 
1 1 1 -3  14  12 o 109.872 2.5209  1620.35   74.187    1632.03   105.156   1608.78   104.680   110.267 3.5604  109.478 3.5698  0.7891006      5.041837 
1 1 1 -3  14  13 o 99.540  2.3478  1329.71   62.590    1311.97   88.567    1347.41   88.465    98.875  3.3442  100.205 3.2960  -1.329666      4.695508 
1 1 1 -3  14  14 o 95.262  2.3314  1218.03   59.480    1196.27   84.136    1239.76   84.097    94.409  3.3272  96.114  3.2667  -1.704468      4.662778 
1 1 1 -3  14  15 o 143.143 3.0486  2755.20   116.885   2766.99   165.318   2743.40   165.282   143.450 4.3026  142.835 4.3202  0.6150513      6.097222 
1 1 1 -3  14  16 o 160.739 3.3263  3479.53   143.205   3458.14   202.460   3500.96   202.586   160.242 4.7171  161.236 4.6909  -0.9940796     6.652507 
1 1 1 -3  14  17 f 82.204  2.1815  907.648   48.031    900.649   67.885    914.665   67.968    81.886  3.0951  82.522  3.0750  -0.6362534     4.362958 
1 1 1 -3  14  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  14  19 o 52.201  1.9317  367.196   26.911    359.738   37.984    374.712   38.131    51.664  2.7548  52.737  2.7085  -1.072861      3.863324 
1 1 1 -3  14  20 o 87.997  2.2805  1043.47   53.738    1066.91   75.900    1019.92   76.096    88.995  3.1841  87.000  3.2655  1.995026       4.560918 
1 1 1 -3  14  21 o 37.017  1.9287  185.585   18.971    194.607   26.848    176.589   26.809    37.931  2.6594  36.104  2.7941  1.827023       3.857385 
1 1 1 -3  14  22 o 147.328 3.1649  2958.70   124.882   2907.99   176.208   3009.88   177.014   146.043 4.5046  148.613 4.4469  -2.569794      6.329829 
1 1 1 -3  14  23 o 10.185  2.5246  11.004    8.9799    3.2520    12.458    19.389    12.956    8.4193  3.4540  11.950  3.6830  -3.531174      5.049233 
1 1 1 -3  14  24 o 25.897  2.1271  91.991    14.444    84.656    20.229    99.619    20.629    24.809  3.1129  26.985  2.8996  -2.176424      4.254120 
1 1 1 -3  14  25 o 30.462  2.0427  127.006   16.376    112.029   22.975    142.473   23.348    28.584  3.0478  32.340  2.7206  -3.756538      4.085453 
1 1 1 -3  14  26 o 122.955 2.8123  2075.72   92.611    2041.44   130.433   2110.56   131.517   121.919 3.9942  123.992 3.9600  -2.073074      5.624536 
1 1 1 -3  14  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  14  28 o 11.076  2.4692  11.365    9.8963    -6.0259   13.515    31.470    14.531    7.3322  3.2954  14.820  3.6780  -7.487551      4.938359 
1 1 1 -3  14  29 o 65.280  2.1639  585.041   37.827    567.472   53.121    603.115   53.879    64.272  3.0857  66.287  3.0346  -2.015091      4.327862 
1 1 1 -3  14  30 o 10.443  2.6541  10.302    10.441    23.004    14.823    -2.2052   14.709    12.754  3.9409  8.1317  3.5560  4.622196       5.308105 
1 1 1 -3  14  31 o 13.783  2.9616  27.555    11.900    27.913    16.890    27.201    16.770    13.862  4.1922  13.705  4.1846  0.1570034      5.923292 
1 1 1 -3  14  32 o 13.981  2.9264  28.790    11.968    35.264    16.574    21.736    17.301    15.412  3.9854  12.550  4.2863  2.861650       5.852808 
1 1 1 -3  14  33 o 37.998  2.2231  203.697   22.419    201.294   31.368    206.208   32.055    37.778  3.1281  38.219  3.1597  -0.4416428     4.446190 
1 1 1 -3  14  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  14  35 o 26.331  2.5342  101.291   17.394    100.889   24.101    101.729   25.128    26.322  3.5057  26.340  3.6605  -0.1875114E-01 5.068476 
1 1 1 -3  14  36 o 9.5411  2.7921  6.3182    11.719    2.8690    16.621    9.7279    16.525    9.0489  3.8672  10.033  4.0283  -0.9844694     5.584183 
1 1 1 -3  15  1  o 313.377 5.9030  13241.08  495.480   13151.63  700.254   13330.77  701.176   312.312 8.3710  314.443 8.3252  -2.131409      11.80608 
1 1 1 -3  15  2  o 423.174 7.9551  24309.38  901.679   24303.71  1274.99   24315.06  1275.34   423.125 11.250  423.223 11.250  -0.9860229E-01 15.91014 
1 1 1 -3  15  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  15  4  o 120.391 3.2433  1944.45   99.168    1940.30   122.132   1952.48   169.900   120.254 3.7917  120.527 5.2628  -0.2729340     6.486506 
1 1 1 -3  15  5  o 57.334  1.9023  440.664   29.213    445.116   41.452    436.271   41.176    57.622  2.6857  57.046  2.6948  0.5756187      3.804604 
1 1 1 -3  15  6  o 202.315 4.0314  5508.65   218.440   5432.52   309.170   5584.54   308.672   200.911 5.7452  203.718 5.6569  -2.806732      8.062724 
1 1 1 -3  15  7  o 145.464 3.0712  2842.25   119.660   2842.15   169.576   2842.34   168.875   145.461 4.3524  145.467 4.3342  -0.6500244E-02 6.142390 
1 1 1 -3  15  8  o 197.094 3.9341  5229.10   207.687   5247.73   294.068   5210.57   293.361   197.445 5.5605  196.744 5.5669  0.7014771      7.868243 
1 1 1 -3  15  9  o 100.746 2.4188  1362.30   65.259    1336.07   92.510    1388.28   92.072    99.779  3.4615  101.714 3.3795  -1.935501      4.837666 
1 1 1 -3  15  10 o 190.538 3.7630  4886.50   192.041   4922.09   271.860   4851.05   271.314   191.233 5.3076  189.842 5.3357  1.390121       7.525933 
1 1 1 -3  15  11 o 136.477 2.9520  2502.78   107.887   2447.99   152.738   2557.33   152.414   134.981 4.2246  137.973 4.1242  -2.992035      5.903929 
1 1 1 -3  15  12 o 65.474  1.9991  575.005   35.056    573.067   49.799    576.908   49.359    65.364  2.8444  65.584  2.8098  -0.2198639     3.998199 
1 1 1 -3  15  13 o 54.197  1.9273  394.583   27.874    425.219   39.769    365.001   39.079    56.307  2.6369  52.087  2.8115  4.219837       3.854579 
1 1 1 -3  15  14 o 164.913 3.3972  3662.04   150.046   3607.81   212.217   3716.26   212.178   163.685 4.8404  166.140 4.7680  -2.455521      6.794375 
1 1 1 -3  15  15 o 127.142 2.7962  2174.93   95.172    2090.37   134.526   2259.65   134.660   124.657 4.0290  129.627 3.8784  -4.970268      5.592440 
1 1 1 -3  15  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  15  17 o 44.923  1.9341  272.109   23.152    281.894   32.847    262.449   32.637    45.733  2.6934  44.113  2.7764  1.620041       3.868127 
1 1 1 -3  15  18 o 39.195  1.8774  207.393   19.589    213.069   27.813    201.805   27.594    39.732  2.6283  38.657  2.6816  1.075291       3.754849 
1 1 1 -3  15  19 o 96.846  2.4089  1265.21   62.476    1237.06   88.263    1293.49   88.445    95.759  3.4412  97.933  3.3717  -2.173943      4.817722 
1 1 1 -3  15  20 o 83.038  2.2582  930.704   50.224    939.055   70.959    922.320   71.096    83.415  3.1760  82.661  3.2111  0.7537003      4.516421 
1 1 1 -3  15  21 o 56.806  1.9958  435.973   30.307    447.400   42.889    424.576   42.831    57.592  2.7803  56.020  2.8640  1.571873       3.991615 
1 1 1 -3  15  22 f 13.809  2.6025  26.828    9.8349    29.727    13.857    23.885    13.960    14.514  3.5856  13.105  3.7730  1.408799       5.204939 
1 1 1 -3  15  23 o 37.390  1.9746  190.059   19.632    190.170   27.744    189.947   27.784    37.401  2.7895  37.378  2.7954  0.2333069E-01  3.949174 
1 1 1 -3  15  24 f 20.514  2.4899  60.616    12.778    37.036    17.940    84.899    18.205    16.133  4.1331  24.894  2.7777  -8.760569      4.979774 
1 1 1 -3  15  25 o 135.763 3.0605  2544.18   111.265   2598.35   157.075   2489.63   157.631   137.265 4.2723  134.261 4.3833  3.004395       6.120921 
1 1 1 -3  15  26 o 56.393  2.4961  444.974   35.782    466.183   45.057    408.759   58.877    58.538  2.8737  54.247  4.0820  4.290257       4.992104 
1 1 1 -3  15  27 o 13.215  2.3633  20.902    10.547    48.360    15.253    -4.2588   14.601    18.544  3.1856  7.8856  3.4918  10.65887       4.726639 
1 1 1 -3  15  28 f 45.866  2.0765  289.511   25.369    293.062   35.642    285.864   36.116    46.168  2.8969  45.563  2.9757  0.6050491      4.152927 
1 1 1 -3  15  29 o 29.087  2.2503  118.597   17.082    101.432   23.952    136.366   24.370    26.827  3.4104  31.347  2.9367  -4.519402      4.500604 
1 1 1 -3  15  30 o 16.585  2.9105  40.945    13.040    49.658    18.241    31.840    18.647    18.445  3.8180  14.725  4.3940  3.719275       5.821078 
1 1 1 -3  15  31 o 18.024  2.9047  48.595    13.804    58.179    19.474    38.917    19.569    19.950  3.7828  16.097  4.4089  3.853191       5.809309 
1 1 1 -3  15  32 o 8.5080  2.5533  0.0452    10.467    8.0259    14.899    -7.7301   14.706    9.6226  3.8383  7.3933  3.3683  2.229215       5.106670 
1 1 1 -3  15  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  15  34 o 7.2703  2.3546  -9.0215   10.427    -3.8145   14.935    -13.9726  14.563    7.8551  3.5019  6.6855  3.1486  1.169595       4.709277 
1 1 1 -3  15  35 o 14.700  3.1438  33.812    13.534    29.025    19.210    38.530    19.070    13.747  4.5138  15.654  4.3773  -1.907452      6.287670 
1 1 1 -3  16  1  f 242.826 9.4315  7988.93   613.430   7988.93   613.430   0.0000    0.0000    242.826 9.4315  ?       ?       ?              ?        
1 1 1 -3  16  2  o 80.045  2.1204  859.151   45.461    856.082   64.148    862.247   64.436    79.902  2.9974  80.189  3.0000  -0.2871323     4.240799 
1 1 1 -3  16  3  o 142.178 2.9806  2714.28   113.507   2701.40   160.411   2727.19   160.636   141.839 4.2223  142.516 4.2081  -0.6768646     5.961228 
1 1 1 -3  16  4  o 125.176 2.7377  2103.34   91.789    2087.44   129.805   2119.24   129.814   124.701 3.8863  125.650 3.8572  -0.9484100     5.475471 
1 1 1 -3  16  5  o 92.801  2.3005  1155.47   57.175    1136.73   80.979    1174.08   80.736    92.050  3.2845  93.553  3.2220  -1.503105      4.600962 
1 1 1 -3  16  6  o 148.881 3.0967  2978.05   123.488   2987.38   174.954   2968.80   174.324   149.113 4.3805  148.649 4.3783  0.4639893      6.193373 
1 1 1 -3  16  7  o 85.814  2.2265  987.912   51.159    1023.95   72.701    952.562   72.003    87.367  3.1067  84.262  3.1903  3.104393       4.453069 
1 1 1 -3  16  8  o 73.472  2.0799  724.036   40.930    727.773   58.158    720.369   57.612    73.660  2.9478  73.285  2.9350  0.3752060      4.159759 
1 1 1 -3  16  9  o 147.082 3.1007  2907.30   122.144   2955.84   173.165   2859.23   172.315   148.307 4.3592  145.857 4.4107  2.449692       6.201349 
1 1 1 -3  16  10 o 178.238 3.6478  4276.04   174.143   4250.82   246.550   4301.14   246.002   177.710 5.1797  178.766 5.1377  -1.055923      7.295530 
1 1 1 -3  16  11 o 193.902 3.8184  5064.96   198.307   5126.11   280.780   5004.09   280.117   195.075 5.3737  192.729 5.4263  2.346558       7.636852 
1 1 1 -3  16  12 o 82.447  2.1803  912.585   48.131    887.941   68.265    936.946   67.872    81.337  3.1334  83.557  3.0326  -2.220146      4.360635 
1 1 1 -3  16  13 o 111.202 2.5717  1661.74   76.596    1655.77   108.564   1667.67   108.084   111.001 3.6515  111.403 3.6222  -0.4013138     5.143329 
1 1 1 -3  16  14 o 121.195 2.7428  1976.20   89.029    2010.73   126.173   1941.97   125.640   122.253 3.8532  120.137 3.9045  2.115822       5.485593 
1 1 1 -3  16  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  16  16 o 72.333  2.1036  703.449   40.756    706.048   57.760    700.873   57.517    72.466  2.9758  72.200  2.9742  0.2658997      4.207294 
1 1 1 -3  16  17 o 33.922  1.9163  155.691   17.266    157.479   24.526    153.935   24.310    34.117  2.7061  33.728  2.7139  0.3895378      3.832559 
1 1 1 -3  16  18 o 65.770  2.0390  582.594   35.916    573.595   50.812    591.580   50.774    65.259  2.9069  66.280  2.8600  -1.021187      4.077976 
1 1 1 -3  16  19 o 33.797  1.9464  154.844   17.461    159.941   25.009    149.996   24.390    34.345  2.7414  33.250  2.7637  1.095093       3.892771 
1 1 1 -3  16  20 o 61.691  2.0422  514.212   33.696    547.454   47.775    481.305   47.534    63.691  2.8005  59.691  2.9731  4.000664       4.084353 
1 1 1 -3  16  21 o 101.751 2.5394  1407.07   69.190    1441.55   97.797    1372.51   97.903    103.018 3.5443  100.483 3.6376  2.534813       5.078746 
1 1 1 -3  16  22 o 46.527  1.9875  293.937   24.625    276.665   34.642    311.579   35.011    45.124  2.8812  47.929  2.7385  -2.805103      3.975048 
1 1 1 -3  16  23 o 73.389  2.1867  731.290   42.983    731.528   60.681    731.051   60.895    73.402  3.0864  73.375  3.0985  0.2784729E-01  4.373363 
1 1 1 -3  16  24 o 46.129  2.0280  289.993   24.929    285.580   35.297    294.386   35.213    45.770  2.8941  46.488  2.8416  -0.7173691     4.055928 
1 1 1 -3  16  25 o 31.669  2.1239  138.030   17.736    125.121   24.956    151.204   25.211    30.121  3.1394  33.217  2.8616  -3.095898      4.247829 
1 1 1 -3  16  26 o 7.2715  2.3010  -5.2386   9.2095    -5.7689   12.898    -4.6870   13.155    7.1612  3.2188  7.3818  3.2891  -0.2205815     4.602043 
1 1 1 -3  16  27 o 10.989  2.7314  14.394    10.293    7.5906    14.562    21.186    14.551    9.6135  3.8073  12.364  3.9174  -2.750929      5.462710 
1 1 1 -3  16  28 o 17.546  2.7509  44.939    12.621    38.644    17.844    51.241    17.854    16.235  4.1019  18.858  3.6668  -2.622513      5.501890 
1 1 1 -3  16  29 o 31.990  2.2083  143.596   18.645    151.863   26.278    135.215   26.458    32.976  3.0083  31.003  3.2337  1.973158       4.416621 
1 1 1 -3  16  30 o 18.113  2.8450  48.635    13.446    47.250    19.001    50.023    19.029    17.833  4.0680  18.392  3.9783  -0.5594196     5.689949 
1 1 1 -3  16  31 o 50.714  2.2011  361.575   29.736    370.781   41.742    352.090   42.371    51.423  3.0441  50.004  3.1801  1.418747       4.402238 
1 1 1 -3  16  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  16  33 o 15.771  3.0817  38.240    13.585    31.753    19.166    44.790    19.258    14.442  4.4844  17.100  4.2284  -2.658447      6.163495 
1 1 1 -3  16  34 o 7.0064  2.2897  -15.6032  10.676    0.6417    15.383    -30.6965  14.828    8.4726  3.6715  5.5402  2.7371  2.932385       4.579477 
1 1 1 -3  17  1  o 104.799 2.4756  1473.68   69.475    1432.23   97.868    1515.79   98.643    103.312 3.5367  106.287 3.4649  -2.975304      4.951180 
1 1 1 -3  17  2  o 223.378 4.3536  6723.72   260.476   6657.91   367.994   6789.79   368.744   222.277 6.1810  224.478 6.1328  -2.201324      8.707245 
1 1 1 -3  17  3  o 114.479 2.6155  1759.32   80.182    1713.47   113.194   1805.50   113.596   112.979 3.7406  115.980 3.6567  -3.000229      5.231017 
1 1 1 -3  17  4  o 119.874 2.7130  1929.77   87.080    1990.05   123.226   1869.64   123.072   121.749 3.7787  118.000 3.8940  3.749802       5.426029 
1 1 1 -3  17  5  o 32.592  1.8724  143.409   16.200    140.643   23.012    146.126   22.809    32.274  2.6864  32.909  2.6091  -0.6347694     3.744859 
1 1 1 -3  17  6  o 164.731 3.3736  3649.13   148.851   3667.77   210.814   3630.61   210.202   165.151 4.7657  164.311 4.7762  0.8402557      6.747161 
1 1 1 -3  17  7  o 128.808 2.8269  2228.53   97.529    2225.86   138.258   2231.17   137.599   128.730 4.0098  128.885 3.9859  -0.1556549     5.653807 
1 1 1 -3  17  8  o 139.331 2.9706  2608.55   110.861   2622.85   157.162   2594.39   156.403   139.712 4.1998  138.951 4.2024  0.7603912      5.941216 
1 1 1 -3  17  9  o 132.233 2.8975  2349.91   102.613   2313.99   145.365   2385.60   144.868   131.221 4.1359  133.245 4.0592  -2.023346      5.795009 
1 1 1 -3  17  10 o 198.848 3.9136  5331.17   208.436   5383.15   295.155   5279.46   294.391   199.820 5.5147  197.877 5.5545  1.943405       7.827134 
1 1 1 -3  17  11 o 173.169 3.4982  4040.47   162.249   4091.87   229.847   3989.42   229.063   174.272 4.9241  172.066 4.9702  2.205246       6.996350 
1 1 1 -3  17  12 o 139.218 2.9575  2608.84   110.280   2637.31   156.322   2580.63   155.599   139.976 4.1694  138.460 4.1956  1.516708       5.915002 
1 1 1 -3  17  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  17  14 o 46.376  1.9839  290.303   24.501    277.820   34.871    302.473   34.431    45.377  2.8840  47.374  2.7249  -1.996166      3.967736 
1 1 1 -3  17  15 o 46.799  1.9707  295.765   24.478    331.733   34.999    261.326   34.248    49.613  2.6433  43.984  2.9237  5.629505       3.941436 
1 1 1 -3  17  16 o 66.148  2.0403  588.888   36.139    608.349   51.409    569.875   50.812    67.232  2.8548  65.064  2.9157  2.167610       4.080556 
1 1 1 -3  17  17 o 43.301  1.9056  253.571   21.976    245.648   31.279    261.295   30.884    42.621  2.7547  43.980  2.6338  -1.359501      3.811192 
1 1 1 -3  17  18 o 82.345  2.2540  916.290   49.713    920.311   70.411    912.294   70.199    82.525  3.1854  82.164  3.1898  0.3612595      4.507936 
1 1 1 -3  17  19 f 87.595  2.3008  1038.92   53.980    1033.70   76.377    1044.14   76.302    87.372  3.2636  87.818  3.2439  -0.4455795     4.601531 
1 1 1 -3  17  20 f 49.075  1.9953  326.708   26.089    345.379   37.061    308.366   36.733    50.485  2.7511  47.665  2.8909  2.819782       3.990698 
1 1 1 -3  17  21 o 74.862  2.2036  760.187   44.186    759.756   62.527    760.617   62.449    74.839  3.1192  74.884  3.1135  -0.4414368E-01 4.407207 
1 1 1 -3  17  22 o 10.361  2.5795  11.973    9.2920    4.7553    13.174    19.118    13.108    8.8564  3.5823  11.865  3.7125  -3.008614      5.159028 
1 1 1 -3  17  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  17  24 o 9.8921  2.6380  9.3610    9.6883    14.643    14.098    4.6341    13.336    10.938  3.8615  8.8466  3.5951  2.091086       5.275974 
1 1 1 -3  17  25 o 44.484  2.0827  271.705   24.673    269.010   34.983    274.373   34.805    44.255  2.9685  44.713  2.9222  -0.4579010     4.165478 
1 1 1 -3  17  26 o 21.522  2.6085  66.296    14.352    81.058    20.617    52.418    19.990    24.030  3.2896  19.014  4.0492  5.015995       5.217008 
1 1 1 -3  17  27 o 28.222  2.2901  112.119   16.899    100.952   24.031    123.043   23.768    26.733  3.4357  29.712  3.0290  -2.979239      4.580248 
1 1 1 -3  17  28 o 11.531  2.8224  15.656    11.359    27.417    16.300    4.5508    15.838    13.727  4.1108  9.3340  3.8684  4.393282       5.644776 
1 1 1 -3  17  29 o 12.709  3.0057  22.372    12.119    26.986    17.440    18.062    16.853    13.623  4.2854  11.794  4.2158  1.829066       6.011453 
1 1 1 -3  17  30 o 32.062  2.3479  146.118   19.871    146.249   28.113    145.986   28.090    32.077  3.3202  32.048  3.3206  0.2927399E-01  4.695714 
1 1 1 -3  17  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  17  32 o 28.083  2.5104  114.828   18.458    112.589   26.025    117.095   26.184    27.786  3.5801  28.381  3.5201  -0.5946846     5.020792 
1 1 1 -3  17  33 o 17.120  3.1473  46.412    14.819    35.812    20.870    57.191    21.045    15.040  4.6810  19.200  4.2084  -4.159899      6.294615 
1 1 1 -3  18  1  o 133.838 2.8547  2406.07   102.287   2310.73   144.107   2502.88   145.210   131.160 4.1020  136.517 3.9712  -5.357391      5.709349 
1 1 1 -3  18  2  o 104.434 2.4218  1463.73   67.720    1413.06   95.365    1515.28   96.182    102.608 3.4699  106.260 3.3794  -3.652367      4.843581 
1 1 1 -3  18  3  o 149.189 3.1191  2991.56   124.619   2923.76   175.954   3059.81   176.523   147.488 4.4540  150.891 4.3677  -3.402863      6.238184 
1 1 1 -3  18  4  o 139.329 2.9800  2608.50   111.196   2654.73   157.295   2562.31   157.216   140.566 4.1778  138.090 4.2505  2.476181       5.959923 
1 1 1 -3  18  5  o 164.425 3.4139  3636.70   150.338   3695.67   212.757   3577.90   212.465   165.762 4.7919  163.088 4.8638  2.673187       6.827816 
1 1 1 -3  18  6  f 32.978  1.9921  146.947   17.423    143.429   24.623    150.475   24.658    32.576  2.8507  33.379  2.7833  -0.8034897     3.984119 
1 1 1 -3  18  7  o 90.409  2.3110  1097.11   55.961    1090.99   79.353    1103.17   78.930    90.157  3.2861  90.661  3.2504  -0.5042725     4.622017 
1 1 1 -3  18  8  o 64.928  2.0375  565.574   35.419    588.897   50.405    542.827   49.780    66.252  2.8404  63.605  2.9220  2.647594       4.075039 
1 1 1 -3  18  9  o 207.713 4.0640  5826.19   226.042   5993.76   320.220   5659.76   319.125   210.711 5.6738  204.714 5.8200  5.997406       8.127999 
1 1 1 -3  18  10 o 214.128 4.1818  6202.31   239.838   6166.67   339.505   6237.82   338.859   213.505 5.9368  214.750 5.8911  -1.244614      8.363630 
1 1 1 -3  18  11 o 65.069  4.3649  573.193   75.633    0.0000    0.0000    573.193   75.633    ?       ?       65.069  4.3649  ?              ?        
1 1 1 -3  18  12 o 118.911 5.6609  1917.75   180.302   1917.75   180.302   0.0000    0.0000    118.911 5.6609  ?       ?       ?              ?        
1 1 1 -3  18  13 o 186.249 3.8036  4709.20   189.729   4791.19   268.773   4627.77   267.864   187.883 5.3408  184.615 5.4170  3.267380       7.607130 
1 1 1 -3  18  14 o 93.805  2.3782  1185.92   59.743    1216.05   84.872    1156.33   84.112    94.991  3.3357  92.619  3.3905  2.371529       4.756344 
1 1 1 -3  18  15 o 79.000  2.2260  841.435   47.086    872.432   66.977    811.145   66.208    80.445  3.1084  77.555  3.1872  2.890144       4.451998 
1 1 1 -3  18  16 o 70.186  2.0885  664.544   39.256    654.465   55.680    674.505   55.353    69.651  2.9846  70.720  2.9222  -1.068962      4.176941 
1 1 1 -3  18  17 o 39.679  1.9183  213.257   20.247    225.253   28.912    201.712   28.362    40.787  2.6611  38.570  2.7637  2.216679       3.836544 
1 1 1 -3  18  18 o 28.616  2.0491  112.654   15.303    95.447    21.781    129.426   21.504    26.371  3.1457  30.860  2.6266  -4.488659      4.098106 
1 1 1 -3  18  19 f 49.645  1.9856  334.292   26.289    344.990   37.383    323.826   36.976    50.440  2.7777  48.850  2.8382  1.589764       3.971253 
1 1 1 -3  18  20 o 40.015  1.9963  217.676   21.241    230.238   30.468    205.796   29.628    41.152  2.7805  38.878  2.8654  2.274399       3.992650 
1 1 1 -3  18  21 o 41.337  2.0407  232.911   22.452    234.933   31.960    230.941   31.547    41.513  2.8924  41.161  2.8796  0.3526306      4.081458 
1 1 1 -3  18  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  18  23 o 21.343  2.4762  64.069    13.659    65.640    19.669    62.605    18.984    21.596  3.5217  21.091  3.4820  0.5049305      4.952483 
1 1 1 -3  18  24 f 22.287  2.5129  70.620    14.301    56.231    20.048    85.530    20.407    19.794  3.9199  24.780  3.1454  -4.985601      5.025883 
1 1 1 -3  18  25 o 16.858  2.7990  41.281    12.445    45.802    17.805    36.963    17.401    17.790  3.8485  15.927  4.0654  1.863605       5.598059 
1 1 1 -3  18  26 o 21.865  2.6510  68.936    14.795    86.100    21.397    53.211    20.480    24.687  3.3200  19.042  4.1339  5.644892       5.301987 
1 1 1 -3  18  27 o 24.048  2.5411  82.955    15.864    82.412    22.565    83.485    22.306    23.953  3.6310  24.143  3.5559  -0.1902275     5.082220 
1 1 1 -3  18  28 o 10.720  2.5755  10.940    10.425    -6.0651   14.677    28.256    14.811    7.5874  3.4199  13.853  3.8520  -6.265819      5.151054 
1 1 1 -3  18  29 o 9.5169  2.7305  6.7466    10.881    4.2827    16.209    8.7675    14.680    9.3249  3.8930  9.7089  3.8297  -0.3840179     5.460960 
1 1 1 -3  18  30 o 30.383  2.4554  133.019   19.477    149.553   27.671    116.783   27.421    32.415  3.2301  28.352  3.6991  4.063118       4.910836 
1 1 1 -3  18  31 o 13.662  3.1469  27.289    13.538    18.891    18.834    36.266    19.473    11.997  4.4320  15.327  4.4686  -3.330092      6.293744 
1 1 1 -3  18  32 o 24.497  2.7916  91.045    17.541    76.579    24.541    106.154   25.081    22.231  4.2767  26.764  3.5892  -4.532646      5.583184 
1 1 1 -3  19  1  o 226.512 4.4319  6922.26   268.886   6874.94   379.713   6969.86   380.814   225.732 6.2802  227.292 6.2552  -1.559753      8.863848 
1 1 1 -3  19  2  o 231.101 4.5530  7210.07   281.747   6994.77   397.863   7426.65   399.040   227.615 6.5259  234.587 6.3507  -6.971771      9.106013 
1 1 1 -3  19  3  o 183.227 3.6452  4520.68   178.786   4327.59   252.352   4715.27   253.335   179.279 5.2552  187.175 5.0531  -7.895813      7.290461 
1 1 1 -3  19  4  o 92.083  2.3222  1138.15   57.265    1109.33   80.845    1167.17   81.125    90.911  3.3201  93.256  3.2478  -2.344292      4.644470 
1 1 1 -3  19  5  o 150.087 3.1958  3031.45   128.361   3181.89   181.746   2881.72   181.315   153.819 4.4113  146.354 4.6253  7.465515       6.391624 
1 1 1 -3  19  6  o 76.171  2.1587  778.731   44.040    774.365   62.438    783.054   62.127    75.957  3.0689  76.384  3.0366  -0.4267502     4.317337 
1 1 1 -3  19  7  o 177.313 3.6120  4238.85   171.529   4308.33   242.958   4169.81   242.202   178.770 5.0740  175.857 5.1420  2.913025       7.223926 
1 1 1 -3  19  8  o 75.351  2.1955  762.459   44.301    783.674   62.999    741.706   62.310    76.390  3.0790  74.313  3.1304  2.077110       4.390900 
1 1 1 -3  19  9  o 15.479  3.1791  29.065    14.493    14.932    18.613    50.828    23.097    11.921  4.4056  19.036  4.5846  -7.115067      6.358293 
1 1 1 -3  19  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  19  11 f 39.869  1.9250  214.879   20.403    204.000   29.057    225.460   28.655    38.857  2.8108  40.881  2.6309  -2.023533      3.849965 
1 1 1 -3  19  12 o 131.525 2.9530  2338.92   104.026   2330.74   147.501   2347.01   146.733   131.290 4.1944  131.759 4.1577  -0.4684753     5.905944 
1 1 1 -3  19  13 o 32.227  1.9595  140.801   16.740    140.899   24.087    140.710   23.282    32.231  2.8184  32.223  2.7230  0.8235931E-02  3.918976 
1 1 1 -3  19  14 o 82.895  2.2300  927.354   49.488    967.184   70.414    888.476   69.567    84.664  3.1051  81.127  3.2015  3.537132       4.459922 
1 1 1 -3  19  15 o 110.360 2.6361  1652.06   77.911    1627.01   110.435   1676.87   109.933   109.513 3.7649  111.206 3.6907  -1.693184      5.272160 
1 1 1 -3  19  16 o 69.368  2.1398  650.689   39.722    687.409   56.531    614.877   55.827    71.316  2.9595  67.420  3.0915  3.895393       4.279657 
1 1 1 -3  19  17 o 123.220 2.8330  2071.92   93.500    2064.75   132.336   2079.06   132.122   123.001 4.0168  123.439 3.9961  -0.4374466     5.665971 
1 1 1 -3  19  18 o 77.503  2.2332  814.940   46.358    812.390   65.753    817.459   65.368    77.377  3.1726  77.628  3.1439  -0.2501373     4.466441 
1 1 1 -3  19  19 o 73.566  2.2209  735.269   43.751    756.582   62.130    714.304   61.621    74.634  3.1079  72.497  3.1733  2.136826       4.441778 
1 1 1 -3  19  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  19  21 o 37.549  2.0918  193.547   20.752    217.277   29.548    170.449   29.153    39.886  2.7832  35.211  3.1235  4.674572       4.183580 
1 1 1 -3  19  22 o 26.081  2.3190  95.197    15.547    115.514   22.263    75.861    21.719    28.953  2.9102  23.208  3.6114  5.745632       4.638070 
1 1 1 -3  19  23 o 32.642  2.1515  147.993   18.449    128.952   26.098    167.013   26.084    30.445  3.2507  34.839  2.8194  -4.393602      4.302993 
1 1 1 -3  19  24 f 15.749  2.8161  36.390    12.032    28.687    17.290    43.623    16.755    14.124  4.2349  17.374  3.7130  -3.249886      5.632125 
1 1 1 -3  19  25 o 17.717  2.8441  45.917    13.200    51.866    19.192    40.577    18.183    18.845  3.9295  16.589  4.1127  2.256346       5.688132 
1 1 1 -3  19  26 o 17.690  2.8322  46.270    13.160    38.778    18.449    54.030    18.777    16.138  4.2201  19.241  3.7782  -3.103094      5.664336 
1 1 1 -3  19  27 o 14.774  2.8283  31.792    12.922    10.233    18.623    51.808    17.944    10.723  4.2866  18.825  3.6907  -8.101493      5.656528 
1 1 1 -3  19  28 o 12.959  3.5311  20.566    15.943    5.1256    35.334    24.513    17.865    12.818  5.5594  13.101  4.3553  -0.2838383     7.062270 
1 1 1 -3  19  29 o 36.220  2.3221  186.939   22.271    179.544   31.307    194.516   31.688    35.455  3.3359  36.984  3.2313  -1.528400      4.644287 
1 1 1 -3  19  30 o 33.520  2.3699  162.098   20.992    164.091   29.802    160.135   29.573    33.733  3.3424  33.308  3.3608  0.4248962      4.739872 
1 1 1 -3  20  1  o 99.085  2.3816  1318.02   63.202    1326.92   89.013    1308.98   89.755    99.424  3.3425  98.746  3.3935  0.6775436      4.763221 
1 1 1 -3  20  2  o 169.670 3.4665  3875.50   157.533   3893.13   222.424   3857.75   223.149   170.060 4.8830  169.279 4.9216  0.7813721      6.932949 
1 1 1 -3  20  3  o 40.552  1.8698  221.455   20.195    216.940   28.289    226.147   28.839    40.128  2.6468  40.975  2.6418  -0.8468246     3.739602 
1 1 1 -3  20  4  o 108.263 2.5432  1574.75   73.748    1572.38   104.172   1577.13   104.418   108.182 3.5951  108.345 3.5981  -0.1630707     5.086386 
1 1 1 -3  20  5  o 89.320  2.3094  1072.41   55.179    1007.16   77.930    1138.01   78.139    86.586  3.3602  92.055  3.1691  -5.468666      4.618883 
1 1 1 -3  20  6  o 44.409  1.9220  265.711   22.752    264.466   32.190    266.955   32.162    44.304  2.7259  44.514  2.7104  -0.2102089     3.844037 
1 1 1 -3  20  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  20  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  20  9  o 59.029  2.0345  468.364   32.163    479.233   45.834    457.819   45.145    59.705  2.8661  58.354  2.8884  1.350910       4.069026 
1 1 1 -3  20  10 o 34.511  1.9938  161.122   18.261    167.160   26.239    155.452   25.429    35.142  2.8112  33.879  2.8281  1.263229       3.987570 
1 1 1 -3  20  11 o 24.521  2.1219  82.261    13.574    92.017    19.409    72.920    18.992    25.993  2.8336  23.050  3.1593  2.943779       4.243889 
1 1 1 -3  20  12 o 44.595  1.9595  268.836   23.264    285.820   33.230    252.508   32.581    45.990  2.7095  43.199  2.8315  2.791061       3.919030 
1 1 1 -3  20  13 o 82.418  2.2503  917.781   49.664    947.598   70.654    888.658   69.825    83.748  3.1497  81.087  3.2149  2.661201       4.500690 
1 1 1 -3  20  14 o 52.379  1.9974  371.476   27.917    370.691   39.714    372.243   39.251    52.320  2.8446  52.438  2.8047  -0.1178970     3.994782 
1 1 1 -3  20  15 o 19.859  2.4384  55.290    12.394    66.846    17.723    44.229    17.339    22.014  3.0910  17.704  3.7720  4.309618       4.876704 
1 1 1 -3  20  16 o 34.543  2.0462  162.660   18.746    159.142   26.764    166.049   26.266    34.161  2.9540  34.925  2.8322  -0.7632980     4.092377 
1 1 1 -3  20  17 o 46.038  2.0133  288.034   24.691    301.133   35.242    275.404   34.604    47.079  2.8075  44.997  2.8864  2.081806       4.026567 
1 1 1 -3  20  18 o 29.210  2.1750  117.196   16.754    117.086   24.043    117.299   23.359    29.186  3.1242  29.235  3.0269  -0.4934692E-01 4.349993 
1 1 1 -3  20  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  20  20 o 54.079  2.1036  400.023   30.351    406.753   43.198    393.461   42.653    54.532  2.9686  53.626  2.9813  0.9057693      4.207247 
1 1 1 -3  20  21 o 20.740  2.5243  60.865    13.504    65.317    19.380    56.663    18.829    21.519  3.4812  19.961  3.6565  1.558250       5.048626 
1 1 1 -3  20  22 o 38.274  2.0963  202.184   21.317    208.332   30.284    196.147   30.010    38.866  2.9306  37.681  2.9982  1.185345       4.192601 
1 1 1 -3  20  23 o 39.208  2.1025  212.999   21.902    222.376   31.179    203.866   30.772    40.086  2.9241  38.331  3.0218  1.755035       4.204923 
1 1 1 -3  20  24 o 19.373  2.7969  55.797    14.026    41.039    20.030    69.997    19.648    16.598  4.4248  22.149  3.4222  -5.550713      5.593811 
1 1 1 -3  20  25 o 12.103  2.8263  18.699    11.720    4.3395    16.983    31.758    16.195    9.5460  3.9850  14.660  4.0090  -5.114216      5.652660 
1 1 1 -3  20  26 o 14.775  3.0191  31.904    12.887    41.932    18.810    23.034    17.692    16.726  4.2036  12.823  4.3346  3.903034       6.038148 
1 1 1 -3  20  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  20  28 o 8.0883  2.5533  -4.8769   11.315    -0.5805   16.386    -8.7926   15.643    8.6574  3.7704  7.5192  3.4440  1.138190       5.106551 
1 1 1 -3  20  29 o 16.103  3.2354  40.686    14.623    39.015    20.948    42.273    20.421    15.770  4.6454  16.437  4.5046  -0.6667452     6.470789 
1 1 1 -3  21  1  o 88.728  2.2631  1057.03   53.783    1047.63   75.678    1066.62   76.447    88.330  3.1987  89.127  3.2023  -0.7970200     4.526222 
1 1 1 -3  21  2  o 144.269 3.0646  2801.88   118.422   2790.08   167.050   2813.80   167.900   143.964 4.3322  144.574 4.3358  -0.6101074     6.129179 
1 1 1 -3  21  3  o 144.175 3.1091  2800.23   120.065   2788.70   169.514   2811.83   170.083   143.877 4.3987  144.473 4.3953  -0.5960846     6.218269 
1 1 1 -3  21  4  o 21.113  2.2200  61.276    12.142    56.470    17.147    66.110    17.197    20.243  3.2743  21.983  2.9989  -1.740473      4.440050 
1 1 1 -3  21  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  21  6  o 32.621  1.9974  144.194   17.260    150.569   24.303    137.704   24.518    33.364  2.7438  31.877  2.9034  1.486956       3.994763 
1 1 1 -3  21  7  o 59.139  2.0069  471.175   31.697    445.072   44.804    497.330   44.848    57.454  2.9210  60.825  2.7528  -3.371078      4.013776 
1 1 1 -3  21  8  o 73.732  2.1525  731.892   42.509    732.730   60.280    731.063   59.955    73.773  3.0506  73.690  3.0376  0.8229828E-01  4.305012 
1 1 1 -3  21  9  o 77.011  2.1860  799.203   45.079    824.054   64.099    774.884   63.410    78.200  3.0603  75.822  3.1223  2.378479       4.371927 
1 1 1 -3  21  10 o 48.934  1.9860  323.685   25.919    322.815   36.878    324.534   36.435    48.866  2.8297  49.002  2.7875  -0.1369667     3.972040 
1 1 1 -3  21  11 o 23.045  2.1500  73.080    12.803    85.858    18.383    61.046    17.841    25.083  2.7832  21.007  3.2777  4.075579       4.299923 
1 1 1 -3  21  12 o 64.948  2.0860  570.051   36.276    557.357   51.527    582.527   51.080    64.222  2.9954  65.674  2.9039  -1.451790      4.171930 
1 1 1 -3  21  13 o 31.612  2.0459  136.341   17.106    129.934   24.350    142.584   24.037    30.854  2.9837  32.369  2.8000  -1.514460      4.091762 
1 1 1 -3  21  14 o 17.523  2.6107  44.059    11.967    28.902    16.934    59.182    16.915    14.379  4.1598  20.667  3.1558  -6.287944      5.221406 
1 1 1 -3  21  15 o 82.989  2.3244  936.221   51.648    911.020   73.287    961.087   72.798    81.859  3.3425  84.119  3.2310  -2.260536      4.648836 
1 1 1 -3  21  16 o 39.186  2.0248  209.199   21.083    221.998   30.122    196.906   29.520    40.381  2.8024  37.991  2.9234  2.389870       4.049647 
1 1 1 -3  21  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  21  18 o 45.543  2.0659  283.576   25.064    282.516   35.733    284.603   35.165    45.450  2.9512  45.637  2.8917  -0.1870384     4.131782 
1 1 1 -3  21  19 o 35.026  2.1375  168.617   19.838    178.724   28.656    159.317   27.489    36.048  2.9950  34.004  3.0506  2.043766       4.275096 
1 1 1 -3  21  20 o 27.237  2.3971  104.086   17.038    96.368    24.391    111.440   23.810    26.171  3.5728  28.302  3.1969  -2.130884      4.794249 
1 1 1 -3  21  21 o 39.840  2.1462  220.188   22.658    203.037   32.208    236.994   31.882    38.233  3.1738  41.448  2.8899  -3.214928      4.292419 
1 1 1 -3  21  22 o 60.909  2.1852  514.357   35.576    503.049   50.410    525.579   50.215    60.174  3.1386  61.644  3.0413  -1.470020      4.370363 
1 1 1 -3  21  23 o 10.897  2.7803  14.130    10.693    7.5971    15.325    20.327    14.926    9.6972  3.8843  12.096  3.9791  -2.398935      5.560668 
1 1 1 -3  21  24 o 14.279  3.0378  29.955    12.596    26.838    17.574    33.248    18.062    13.605  4.3045  14.952  4.2877  -1.347404      6.075609 
1 1 1 -3  21  25 o 32.532  2.3569  150.434   20.204    141.484   28.677    159.256   28.470    31.494  3.4563  33.571  3.2051  -2.076731      4.713701 
1 1 1 -3  21  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  21  27 o 37.148  2.3337  197.361   22.974    201.743   32.904    193.193   32.092    37.549  3.3052  36.747  3.2955  0.8023415      4.667457 
1 1 1 -3  21  28 o 10.547  2.9788  10.833    12.752    14.820    18.543    7.2543    17.566    11.206  4.3376  9.8872  4.0839  1.318605       5.957551 
1 1 1 -3  22  1  o 53.838  1.9253  389.590   27.705    376.208   38.842    403.449   39.528    52.859  2.7529  54.816  2.6922  -1.957127      3.850543 
1 1 1 -3  22  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  22  3  o 81.637  4.7086  903.918   102.522   903.918   102.522   0.0000    0.0000    81.637  4.7086  ?       ?       ?              ?        
1 1 1 -3  22  4  o 44.118  1.9413  262.632   22.825    264.674   32.170    260.562   32.390    44.294  2.7248  43.943  2.7660  0.3515930      3.882684 
1 1 1 -3  22  5  o 34.803  1.9487  163.947   17.996    154.468   25.343    173.586   25.558    33.772  2.8277  35.834  2.6823  -2.061306      3.897472 
1 1 1 -3  22  6  o 38.415  1.9334  199.525   19.763    199.057   27.945    199.995   27.953    38.369  2.7371  38.461  2.7312  -0.9141159E-01 3.866732 
1 1 1 -3  22  7  o 97.044  2.4317  1271.97   63.185    1233.72   89.357    1310.22   89.358    95.573  3.4906  98.516  3.3864  -2.942879      4.863381 
1 1 1 -3  22  8  o 107.371 2.5931  1560.79   74.561    1529.64   105.568   1591.79   105.322   106.289 3.7082  108.452 3.6257  -2.163757      5.186135 
1 1 1 -3  22  9  o 85.888  2.3191  997.579   53.350    1000.75   75.609    994.438   75.289    86.023  3.2815  85.753  3.2779  0.2706909      4.638192 
1 1 1 -3  22  10 o 58.871  2.0506  468.783   32.276    460.644   45.735    476.858   45.556    58.319  2.9373  59.423  2.8622  -1.103558      4.101202 
1 1 1 -3  22  11 f 37.434  2.0153  190.538   20.015    205.199   28.494    176.260   28.120    38.882  2.7538  35.986  2.9432  2.896053       4.030595 
1 1 1 -3  22  12 o 27.299  2.1484  102.180   15.435    99.911    21.971    104.392   21.688    26.984  3.0958  27.614  2.9795  -0.6292553     4.296728 
1 1 1 -3  22  13 o 31.498  2.1305  136.176   17.659    122.412   25.130    149.602   24.820    29.867  3.1908  33.129  2.8240  -3.262276      4.261026 
1 1 1 -3  22  14 o 8.9207  2.4963  5.9021    8.9217    2.7227    13.131    8.6283    12.159    8.4998  3.5225  9.3416  3.5381  -0.8417883     4.992627 
1 1 1 -3  22  15 o 15.696  2.5980  32.932    11.837    60.789    17.743    10.587    15.891    20.880  3.2807  10.511  4.0294  10.36950       5.196056 
1 1 1 -3  22  16 o 16.278  2.9360  31.167    13.857    10.786    17.331    67.290    23.072    10.814  4.1913  21.741  4.1126  -10.92679      5.872029 
1 1 1 -3  22  17 o 9.7257  2.5959  7.4953    10.005    -3.5041   14.540    17.387    13.789    7.9682  3.5087  11.483  3.8268  -3.514999      5.191842 
1 1 1 -3  22  18 o 45.219  2.1397  281.178   25.757    291.707   36.740    271.001   36.121    46.067  2.9938  44.371  3.0580  1.696491       4.279488 
1 1 1 -3  22  19 o 24.566  2.4792  85.441    15.775    77.863    22.510    92.754    22.114    23.399  3.7158  25.733  3.2831  -2.334585      4.958437 
1 1 1 -3  22  20 o 54.860  2.1484  416.262   31.421    439.443   45.018    394.241   43.877    56.379  2.9918  53.341  3.0842  3.038540       4.296898 
1 1 1 -3  22  21 o 22.702  2.6595  76.672    15.052    50.398    21.483    102.002   21.094    18.395  4.4161  27.008  2.9647  -8.612951      5.318984 
1 1 1 -3  22  22 o 18.377  2.8123  49.897    13.441    46.656    19.292    52.953    18.736    17.724  4.1388  19.029  3.8087  -1.305231      5.624625 
1 1 1 -3  22  23 o 7.7686  2.4293  -3.7177   9.9426    0.3028    14.895    -6.9484   13.353    8.4535  3.6381  7.0838  3.2204  1.369704       4.858636 
1 1 1 -3  22  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  22  25 o 41.326  2.3398  243.643   25.518    272.896   36.169    214.650   36.007    43.969  3.0908  38.683  3.5135  5.285770       4.679522 
1 1 1 -3  22  26 o 13.515  3.1373  27.204    13.250    22.557    19.368    31.293    18.168    12.696  4.5213  14.335  4.3507  -1.639024      6.274645 
1 1 1 -3  22  27 o 13.642  3.0039  24.313    14.167    49.653    20.633    1.7106    19.486    17.772  4.3660  9.5114  4.1270  8.260352       6.007773 
1 1 1 -3  23  1  o 88.302  2.2799  1049.37   53.905    1012.98   75.641    1086.91   76.841    86.743  3.2556  89.862  3.1925  -3.118652      4.559705 
1 1 1 -3  23  2  o 50.087  1.9227  338.195   25.690    327.429   35.998    349.368   36.673    49.270  2.7386  50.904  2.6994  -1.633904      3.845318 
1 1 1 -3  23  3  o 39.554  1.9122  211.475   20.131    215.163   28.333    207.716   28.607    39.908  2.6659  39.199  2.7419  0.7096786      3.824303 
1 1 1 -3  23  4  o 56.868  1.9862  436.036   30.177    415.323   42.482    457.134   42.875    55.460  2.8696  58.275  2.7468  -2.814724      3.972401 
1 1 1 -3  23  5  o 44.326  1.9281  265.721   22.747    248.415   32.008    283.379   32.333    42.850  2.8043  45.802  2.6468  -2.952095      3.856164 
1 1 1 -3  23  6  o 52.624  1.9635  374.384   27.570    363.492   38.922    385.353   39.059    51.847  2.8133  53.401  2.7400  -1.553738      3.927071 
1 1 1 -3  23  7  o 41.791  1.9552  236.576   21.760    240.452   30.985    232.805   30.566    42.130  2.7610  41.451  2.7690  0.6797409      3.910308 
1 1 1 -3  23  8  f 74.663  2.1961  754.268   43.914    742.244   62.154    766.252   62.053    74.062  3.1332  75.264  3.0782  -1.201736      4.392256 
1 1 1 -3  23  9  o 43.341  1.9871  254.926   22.938    248.868   32.404    261.010   32.474    42.816  2.8417  43.865  2.7783  -1.049141      3.974205 
1 1 1 -3  23  10 o 6.4512  2.0653  -7.0158   7.8099    -2.2237   10.954    -11.9701  11.138    7.0344  3.0726  5.8679  2.7606  1.166504       4.130577 
1 1 1 -3  23  11 o 35.127  2.0665  168.319   19.260    163.730   27.257    172.896   27.218    34.636  2.9666  35.619  2.8775  -0.9822540     4.132918 
1 1 1 -3  23  12 o 24.921  2.3010  85.849    14.990    84.807    21.252    86.881    21.147    24.760  3.2856  25.081  3.2223  -0.3206139     4.601980 
1 1 1 -3  23  13 o 70.327  2.2130  672.943   41.670    699.192   59.411    647.526   58.460    71.689  3.0940  68.965  3.1648  2.724403       4.425917 
1 1 1 -3  23  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  23  15 o 33.620  2.1511  155.544   19.150    154.589   27.494    156.445   26.688    33.502  3.0990  33.737  2.9841  -0.2354164     4.302204 
1 1 1 -3  23  16 o 46.733  2.1010  299.791   26.159    305.717   37.256    294.029   36.738    47.194  2.9623  46.273  2.9800  0.9210281      4.201921 
1 1 1 -3  23  17 f 22.757  2.6258  73.621    15.452    73.859    22.037    73.392    21.672    22.785  3.7407  22.730  3.6860  0.5493546E-01  5.251639 
1 1 1 -3  23  18 o 10.262  2.8228  9.9103    11.179    7.7572    15.812    12.062    15.806    9.8900  3.9512  10.634  4.0324  -0.7437954     5.645544 
1 1 1 -3  23  19 o 40.663  2.1717  230.120   23.477    233.469   33.286    226.805   33.117    40.967  3.0555  40.359  3.0869  0.6074715      4.343360 
1 1 1 -3  23  20 o 29.438  2.3722  122.847   18.321    116.284   26.243    129.087   25.589    28.594  3.4996  30.283  3.2034  -1.689468      4.744313 
1 1 1 -3  23  21 o 12.868  3.0031  21.220    12.807    35.630    18.756    8.6307    17.531    15.447  4.3488  10.290  4.1428  5.157333       6.006235 
1 1 1 -3  23  22 o 22.059  2.8898  72.344    16.300    93.268    23.441    52.754    22.682    25.479  3.5295  18.639  4.5767  6.840067       5.779617 
1 1 1 -3  23  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  23  24 o 18.221  3.0498  50.538    14.668    55.786    21.197    45.715    20.319    19.174  4.2400  17.269  4.3849  1.905052       6.099566 
1 1 1 -3  23  25 o 10.353  2.9520  8.7969    12.811    16.088    18.643    2.2743    17.633    11.459  4.3712  9.2480  3.9686  2.210585       5.903968 
1 1 1 -3  24  1  o 50.882  1.9307  349.539   26.199    333.796   36.844    365.640   37.261    49.712  2.7782  52.051  2.6817  -2.338737      3.861326 
1 1 1 -3  24  2  o 97.511  2.4271  1285.00   63.389    1274.12   89.156    1296.13   90.145    97.095  3.4282  97.928  3.4367  -0.8326721     4.854240 
1 1 1 -3  24  3  o 23.214  2.1818  74.233    13.167    67.239    18.702    81.107    18.542    22.075  3.2610  24.353  2.8995  -2.277903      4.363665 
1 1 1 -3  24  4  o 75.464  2.1825  769.495   44.107    749.987   62.102    789.353   62.656    74.494  3.1124  76.435  3.0604  -1.941528      4.364995 
1 1 1 -3  24  5  o 49.775  1.9790  335.476   26.274    327.153   36.937    344.000   37.381    49.145  2.8179  50.406  2.7795  -1.260967      3.957994 
1 1 1 -3  24  6  o 47.535  1.9646  306.322   24.898    311.315   35.037    301.228   35.388    47.935  2.7403  47.135  2.8159  0.8008461      3.929169 
1 1 1 -3  24  7  o 62.621  2.0879  530.709   35.020    529.615   49.532    531.802   49.520    62.556  2.9562  62.686  2.9493  -0.1304932     4.175841 
1 1 1 -3  24  8  o 75.501  2.2243  773.396   44.961    746.723   63.553    800.121   63.617    74.181  3.1985  76.821  3.0918  -2.639503      4.448548 
1 1 1 -3  24  9  o 26.560  2.2394  97.770    15.197    123.791   21.908    73.639    21.098    30.124  2.7454  22.996  3.5387  7.128027       4.478794 
1 1 1 -3  24  10 o 67.013  2.1594  610.113   38.745    591.713   54.833    628.459   54.754    65.989  3.1023  68.037  3.0045  -2.048599      4.318738 
1 1 1 -3  24  11 o 26.402  2.2697  96.178    15.683    104.682   22.566    88.234    21.810    27.569  3.1103  25.234  3.3064  2.334389       4.539440 
1 1 1 -3  24  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  24  13 o 75.200  2.2992  774.467   46.297    755.933   65.664    792.789   65.286    74.280  3.3004  76.120  3.2021  -1.839424      4.598473 
1 1 1 -3  24  14 o 11.165  2.7444  13.108    11.030    0.2423    15.548    26.143    15.649    8.7431  3.7385  13.587  4.0187  -4.843594      5.488759 
1 1 1 -3  24  15 o 36.873  2.1996  188.393   21.388    212.868   30.512    164.750   29.988    39.317  2.9182  34.429  3.2920  4.887486       4.399220 
1 1 1 -3  24  16 o 17.221  2.9467  43.397    13.446    42.600    19.048    44.189    18.984    17.056  4.1978  17.386  4.1366  -0.3297539     5.893478 
1 1 1 -3  24  17 o 19.466  2.8620  55.427    14.445    63.065    20.597    48.036    20.263    20.891  3.8217  18.041  4.2612  2.849838       5.723905 
1 1 1 -3  24  18 o 48.876  2.1959  333.110   28.588    343.957   40.564    322.405   40.297    49.696  3.0623  48.056  3.1481  1.639732       4.391855 
1 1 1 -3  24  19 o 36.403  2.2712  186.377   21.916    188.865   31.222    183.960   30.772    36.643  3.2136  36.162  3.2103  0.4805908      4.542383 
1 1 1 -3  24  20 o 22.323  2.7850  73.342    15.964    63.091    22.621    83.514    22.532    20.581  4.2445  24.065  3.6068  -3.484596      5.570006 
1 1 1 -3  24  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  24  22 o 14.633  3.2294  32.066    14.014    34.504    20.574    29.955    19.142    15.088  4.6398  14.179  4.4931  0.9084768      6.458776 
1 1 1 -3  24  23 o 19.969  3.0749  61.261    15.933    59.233    23.600    62.960    21.598    19.521  4.5906  20.416  4.0922  -0.8945274     6.149769 
1 1 1 -3  24  24 o 14.951  3.2324  34.607    14.565    24.159    20.328    45.630    20.879    12.922  4.6288  16.981  4.5131  -4.059236      6.464832 
1 1 1 -3  25  1  o 61.046  2.0127  503.628   32.783    461.582   45.867    547.540   46.873    58.387  2.9423  63.705  2.7470  -5.317547      4.025313 
1 1 1 -3  25  2  o 66.269  2.0560  593.432   36.490    594.976   51.243    591.843   51.973    66.362  2.8829  66.177  2.9321  0.1848526      4.111996 
1 1 1 -3  25  3  o 86.664  2.3008  1018.08   53.402    1029.03   75.220    1006.96   75.829    87.144  3.2226  86.185  3.2848  0.9589844      4.601661 
1 1 1 -3  25  4  f 102.876 2.5397  1439.56   69.981    1442.92   98.742    1436.17   99.195    103.003 3.5790  102.750 3.6043  0.2526245      5.079389 
1 1 1 -3  25  5  o 43.237  1.9976  254.270   22.951    234.305   32.386    274.413   32.530    41.499  2.9325  44.975  2.7131  -3.475632      3.995100 
1 1 1 -3  25  6  o 45.102  1.9980  276.472   24.012    280.864   33.875    272.036   34.042    45.470  2.7949  44.733  2.8561  0.7369118      3.996072 
1 1 1 -3  25  7  f 79.222  2.2583  853.082   47.919    853.696   67.702    852.466   67.835    79.252  3.1893  79.192  3.1980  0.6028748E-01  4.516555 
1 1 1 -3  25  8  o 46.404  2.0654  293.581   25.473    320.106   36.297    267.837   35.758    48.509  2.8055  44.299  3.0319  4.210339       4.130768 
1 1 1 -3  25  9  o 25.974  2.6268  90.438    17.327    112.411   28.604    77.702    21.776    28.366  3.8654  23.583  3.5581  4.782129       5.253695 
1 1 1 -3  25  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  25  11 o 60.750  2.1580  504.890   35.040    489.651   49.533    520.156   49.574    59.774  3.1045  61.727  2.9984  -1.953148      4.316070 
1 1 1 -3  25  12 o 74.734  2.2862  766.917   45.759    757.479   64.815    776.296   64.613    74.261  3.2585  75.207  3.2075  -0.9459229     4.572339 
1 1 1 -3  25  13 o 29.501  2.3753  122.367   18.166    142.914   25.677    101.773   25.706    32.141  3.0179  26.861  3.6688  5.280352       4.750550 
1 1 1 -3  25  14 o 48.807  2.1389  329.167   27.815    323.858   39.596    334.340   39.082    48.394  3.0706  49.219  2.9786  -0.8251381     4.277894 
1 1 1 -3  25  15 o 37.332  2.2541  194.795   22.260    180.486   31.621    208.853   31.342    35.896  3.3266  38.768  3.0427  -2.872093      4.508278 
1 1 1 -3  25  16 o 21.374  2.6895  66.272    14.786    75.211    21.108    57.660    20.719    22.920  3.5534  19.829  4.0382  3.091024       5.379023 
1 1 1 -3  25  17 o 37.305  2.2466  195.429   22.229    199.944   31.419    190.905   31.453    37.762  3.1347  36.849  3.2191  0.9134827      4.493215 
1 1 1 -3  25  18 o 38.959  2.2942  213.895   23.719    217.476   33.876    210.451   33.221    39.278  3.2492  38.640  3.2398  0.6377945      4.588389 
1 1 1 -3  25  19 o 25.891  2.6667  97.081    17.919    104.750   25.793    89.926    24.912    26.945  3.6692  24.837  3.8707  2.107389       5.333484 
1 1 1 -3  25  20 o 22.441  3.0665  75.916    17.709    79.527    24.237    71.781    25.938    23.177  4.0517  21.706  4.6041  1.471096       6.133070 
1 1 1 -3  25  21 o 46.306  2.3469  306.006   28.910    313.613   41.150    298.592   40.625    46.895  3.2971  45.716  3.3408  1.178413       4.693760 
1 1 1 -3  25  22 o 10.678  3.0402  10.247    13.522    16.241    19.272    4.4348    18.978    11.556  4.4357  9.8005  4.1588  1.755868       6.080395 
1 1 1 -3  26  1  o 40.531  1.9477  223.193   21.006    226.612   29.368    219.611   30.059    40.861  2.6985  40.200  2.8093  0.6611900      3.895384 
1 1 1 -3  26  2  o 34.465  1.9560  161.817   17.888    167.548   25.122    155.923   25.475    35.103  2.6924  33.827  2.8379  1.275955       3.911910 
1 1 1 -3  26  3  o 19.411  2.4265  52.830    12.133    48.158    17.173    57.485    17.143    18.496  3.5960  20.326  3.2589  -1.830496      4.853003 
1 1 1 -3  26  4  o 27.647  2.1195  104.872   15.441    104.618   21.593    105.137   22.089    27.619  2.9653  27.675  3.0293  -0.5534554E-01 4.239094 
1 1 1 -3  26  5  f 8.3519  2.4448  0.9759    9.2297    -5.6006   12.744    8.2318    13.386    7.1623  3.2109  9.5415  3.6876  -2.379230      4.889543 
1 1 1 -3  26  6  o 55.071  2.0512  413.040   30.148    408.064   42.576    418.044   42.696    54.733  2.9147  55.409  2.8868  -0.6758652     4.102351 
1 1 1 -3  26  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  26  8  o 22.089  2.4733  69.172    13.848    51.486    19.361    87.699    19.815    18.984  3.9367  25.194  2.9950  -6.210499      4.946519 
1 1 1 -3  26  9  o 46.978  2.0772  302.402   26.001    295.910   36.734    308.920   36.808    46.460  2.9674  47.495  2.9074  -1.035564      4.154321 
1 1 1 -3  26  10 o 43.206  2.1131  256.690   24.303    255.402   34.236    257.998   34.504    43.098  2.9842  43.314  2.9924  -0.2161331     4.226102 
1 1 1 -3  26  11 o 11.283  2.8974  15.111    11.340    12.976    15.999    17.266    16.075    10.868  4.0710  11.698  4.1241  -0.8305216     5.794880 
1 1 1 -3  26  12 o 37.619  2.2074  196.844   21.842    228.372   31.283    166.855   30.510    40.676  2.8901  34.562  3.3373  6.114632       4.414736 
1 1 1 -3  26  13 f 25.118  2.6560  91.836    16.562    125.665   23.835    60.255    23.029    30.030  3.0036  20.207  4.3812  9.822889       5.311928 
1 1 1 -3  26  14 o 34.532  2.2822  167.430   20.778    185.080   29.665    150.432   29.112    36.407  3.0707  32.657  3.3770  3.749470       4.564380 
1 1 1 -3  26  15 o 14.543  2.8751  28.927    13.286    7.1485    18.540    51.913    19.047    10.286  4.2161  18.799  3.9101  -8.513255      5.750172 
1 1 1 -3  26  16 o 58.186  2.2992  475.750   35.686    468.287   50.535    483.173   50.401    57.703  3.2832  58.668  3.2196  -0.9658890     4.598448 
1 1 1 -3  26  17 o 29.176  2.5515  122.324   19.498    125.577   27.369    118.972   27.783    29.622  3.5183  28.730  3.6961  0.8918400      5.102909 
1 1 1 -3  26  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  26  19 o 20.337  3.0351  63.222    16.057    49.886    22.807    76.330    22.611    17.933  4.6935  22.740  3.8496  -4.807192      6.070256 
1 1 1 -3  26  20 o 37.395  2.4627  202.541   24.354    213.552   34.605    191.735   34.282    38.479  3.3922  36.310  3.5711  2.169067       4.925445 
1 1 1 -3  27  1  o 51.041  1.9899  354.106   27.097    347.883   38.096    360.477   38.549    50.583  2.8231  51.498  2.8052  -0.9149323     3.979849 
1 1 1 -3  27  2  o 57.137  2.0360  443.680   31.099    448.147   43.724    439.106   44.241    57.474  2.8402  56.800  2.9178  0.6743088      4.071948 
1 1 1 -3  27  3  o 45.835  1.9993  286.196   24.416    275.827   34.280    296.871   34.783    44.980  2.8602  46.689  2.7943  -1.709030      3.998554 
1 1 1 -3  27  4  o 73.523  4.9024  758.909   95.989    0.0000    0.0000    758.909   95.989    ?       ?       73.523  4.9024  ?              ?        
1 1 1 -3  27  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  27  6  o 35.253  2.1400  171.212   19.925    189.146   28.309    153.608   28.048    37.145  2.8676  33.361  3.1773  3.783981       4.280015 
1 1 1 -3  27  7  o 43.476  2.0621  259.335   23.872    255.154   33.558    263.618   33.964    43.117  2.9230  43.835  2.9093  -0.7173691     4.124099 
1 1 1 -3  27  8  o 18.420  2.6991  48.738    12.883    43.502    17.987    54.252    18.460    17.345  3.9589  19.495  3.6698  -2.149891      5.398221 
1 1 1 -3  27  9  o 48.015  2.1546  318.228   27.558    308.011   38.788    328.640   39.159    47.217  3.0839  48.814  3.0097  -1.596516      4.309190 
1 1 1 -3  27  10 o 55.157  2.1949  421.246   32.291    411.841   45.530    430.763   45.803    54.520  3.1310  55.794  3.0768  -1.273640      4.389777 
1 1 1 -3  27  11 o 20.138  2.6983  58.894    13.998    66.023    19.816    51.794    19.775    21.472  3.5710  18.804  4.0462  2.668024       5.396589 
1 1 1 -3  27  12 o 13.796  2.7958  25.229    12.392    46.341    17.860    5.6333    17.207    17.785  3.8600  9.8065  4.0454  7.978638       5.591529 
1 1 1 -3  27  13 o 25.562  2.4840  93.561    16.528    89.612    23.642    97.336    23.115    24.967  3.6426  26.157  3.3782  -1.190567      4.967942 
1 1 1 -3  27  14 o 7.5043  2.3753  -8.3849   10.097    2.8183    15.181    -17.2730  13.522    8.8878  3.7426  6.1208  2.9259  2.766988       4.750560 
1 1 1 -3  27  15 o 53.051  2.2997  396.588   32.468    423.185   46.141    370.503   45.695    54.898  3.1511  51.203  3.3503  3.694931       4.599376 
1 1 1 -3  27  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  27  17 o 13.519  3.2267  25.786    14.233    16.979    19.962    34.893    20.300    11.895  4.5266  15.143  4.5996  -3.248153      6.453401 
1 1 1 -3  27  18 o 15.254  3.3319  35.898    15.016    32.261    20.895    39.782    21.594    14.545  4.7035  15.964  4.7205  -1.418375      6.663767 
1 1 1 -3  27  19 o 12.500  3.0727  19.491    13.703    36.897    20.055    4.2503    18.766    15.304  4.5547  9.6961  4.1257  5.607579       6.145402 
1 1 1 -3  28  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  28  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  28  3  o 24.140  2.3660  81.441    14.868    83.094    20.688    79.674    21.383    24.427  3.2420  23.853  3.4468  0.5749302      4.731934 
1 1 1 -3  28  4  o 61.141  2.1216  511.458   34.744    511.182   48.972    511.737   49.301    61.129  2.9910  61.154  3.0098  -0.2509308E-01 4.243250 
1 1 1 -3  28  5  o 39.431  2.0880  213.985   21.882    205.532   30.663    222.757   31.236    38.621  2.9874  40.241  2.9179  -1.619919      4.175925 
1 1 1 -3  28  6  o 26.842  2.3353  100.793   16.430    97.408    23.060    104.283   23.414    26.366  3.3403  27.319  3.2645  -0.9528542     4.670584 
1 1 1 -3  28  7  o 41.130  2.1094  233.879   23.078    230.589   32.372    237.280   32.910    40.836  2.9803  41.424  2.9861  -0.5886688     4.218836 
1 1 1 -3  28  8  o 42.694  2.1555  253.454   24.293    216.758   33.969    291.868   34.755    39.410  3.2469  45.978  2.8360  -6.567478      4.311031 
1 1 1 -3  28  9  o 9.8239  2.5750  4.2174    10.615    -13.1005  14.694    23.119    15.351    6.8850  3.2170  12.763  4.0215  -5.877881      5.149938 
1 1 1 -3  28  10 o 14.796  2.7228  31.076    12.274    9.7840    17.229    53.016    17.489    10.437  4.1387  19.155  3.5391  -8.718747      5.445541 
1 1 1 -3  28  11 o 18.570  2.9336  51.376    14.373    37.898    20.040    65.651    20.624    15.896  4.5022  21.244  3.7622  -5.348130      5.867242 
1 1 1 -3  28  12 o 16.591  2.9942  41.228    13.386    36.929    18.773    45.676    19.094    15.692  4.3266  17.489  4.1402  -1.796698      5.988348 
1 1 1 -3  28  13 o 16.151  2.8591  37.846    13.803    64.584    19.909    13.094    19.155    21.064  3.6616  11.238  4.3922  9.826224       5.718285 
1 1 1 -3  28  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  28  15 f 51.758  2.3681  381.875   32.561    350.486   45.923    413.607   46.174    49.481  3.4873  54.036  3.2046  -4.554897      4.736102 
1 1 1 -3  28  16 o 14.904  3.2188  33.379    14.450    44.989    20.917    22.779    19.986    17.016  4.5148  12.791  4.5889  4.225221       6.437527 
1 1 1 -3  28  17 o 38.214  2.4853  213.304   25.100    198.525   35.317    228.388   35.679    36.760  3.6346  39.668  3.3906  -2.908127      4.970520 
1 1 1 -3  29  1  o 11.629  2.7427  17.904    10.017    16.597    13.849    19.337    14.506    11.288  3.8351  11.970  3.9220  -0.6823044     5.485425 
1 1 1 -3  29  2  o 35.490  2.1030  173.745   19.758    158.889   27.585    189.397   28.314    33.887  3.0725  37.092  2.8723  -3.204540      4.206051 
1 1 1 -3  29  3  o 38.280  2.0982  202.396   21.335    204.072   29.801    200.634   30.557    38.463  2.9143  38.096  3.0194  0.3674812      4.196425 
1 1 1 -3  29  4  o 13.581  2.9234  26.257    11.673    30.189    16.426    22.245    16.591    14.432  4.0721  12.730  4.1955  1.701886       5.846745 
1 1 1 -3  29  5  o 28.014  2.2846  111.191   16.547    92.417    23.655    129.180   23.155    25.515  3.5580  30.513  2.8668  -4.997503      4.569206 
1 1 1 -3  29  6  o 22.829  2.5698  74.757    15.165    69.966    21.407    79.583    21.485    22.028  3.7634  23.631  3.5004  -1.602402      5.139615 
1 1 1 -3  29  7  o 10.421  2.8047  11.354    10.936    7.4572    15.280    15.446    15.659    9.6661  3.8762  11.175  4.0548  -1.509015      5.609437 
1 1 1 -3  29  8  o 16.657  2.8676  42.045    13.283    58.699    18.407    23.947    19.188    20.159  3.5380  13.155  4.5137  7.003825       5.735103 
1 1 1 -3  29  9  o 12.307  2.9911  19.538    12.427    9.9899    17.402    29.472    17.751    10.467  4.1567  14.146  4.3021  -3.679390      5.982157 
1 1 1 -3  29  10 o 18.647  2.8813  51.739    14.030    43.026    19.547    60.999    20.150    16.904  4.3054  20.390  3.8303  -3.485979      5.762627 
1 1 1 -3  29  11 o 26.889  2.5381  104.210   17.802    109.322   25.217    99.130    25.136    27.607  3.4880  26.171  3.6880  1.435940       5.076202 
1 1 1 -3  29  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  29  13 o 11.808  3.1383  16.943    13.555    12.813    18.970    21.251    19.376    11.083  4.3592  12.533  4.5160  -1.449938      6.276690 
1 1 1 -3  29  14 o 40.288  2.4617  236.123   25.931    274.144   36.516    197.443   36.831    43.883  3.1271  36.693  3.8027  7.190384       4.923340 
1 1 1 -3  29  15 o 22.338  2.9917  76.346    17.212    65.957    23.697    87.947    25.042    20.563  4.4331  24.114  4.0186  -3.551542      5.983426 
1 1 1 -3  30  1  o 14.628  2.8404  31.395    12.082    43.011    16.531    18.075    17.701    17.239  3.6914  12.017  4.3179  5.221636       5.680764 
1 1 1 -3  30  2  o 34.909  2.1389  170.565   19.645    189.213   27.434    150.939   28.145    36.989  2.7896  32.829  3.2432  4.160351       4.277853 
1 1 1 -3  30  3  f 42.969  2.0980  256.291   23.983    245.017   33.365    268.344   34.498    41.978  2.9869  43.960  2.9469  -1.982399      4.195960 
1 1 1 -3  30  4  o 38.626  2.1705  208.511   22.270    207.177   31.427    209.856   31.562    38.499  3.0733  38.753  3.0658  -0.2536240     4.340964 
1 1 1 -3  30  5  o 21.018  2.7287  64.680    14.716    51.941    20.504    78.211    21.133    18.681  4.1999  23.355  3.4847  -4.674486      5.457340 
1 1 1 -3  30  6  o 34.277  2.2006  165.281   19.979    165.241   27.981    165.323   28.538    34.290  3.0793  34.264  3.1446  0.2555466E-01  4.401258 
1 1 1 -3  30  7  o 25.058  2.7380  93.498    17.048    125.817   24.275    62.047    23.947    29.867  3.0786  20.250  4.5287  9.617105       5.475989 
1 1 1 -3  30  8  o 13.242  3.0556  25.317    12.476    26.976    17.120    23.439    18.219    13.568  4.2424  12.917  4.3987  0.6508741      6.111136 
1 1 1 -3  30  9  o 9.1709  2.7598  1.7487    12.026    6.5272    16.671    -3.4356   17.364    9.7470  3.9968  8.5948  3.8069  1.152128       5.519671 
1 1 1 -3  30  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  30  11 o 23.681  2.9247  85.023    17.675    98.837    24.515    70.069    25.506    26.039  3.6123  21.324  4.6008  4.715191       5.849465 
1 1 1 -3  30  12 o 10.874  2.9939  13.156    12.575    15.243    17.054    10.670    18.617    11.125  4.1958  10.623  4.2719  0.5024347      5.987873 
1 1 1 -3  30  13 o 25.124  2.8700  95.794    18.647    98.621    26.328    92.948    26.413    25.561  3.9748  24.687  4.1412  0.8738289      5.740072 
1 1 1 -3  31  1  o 27.676  2.4004  108.835   17.410    106.920   24.126    110.916   25.150    27.438  3.3525  27.914  3.4363  -0.4754887     4.800792 
1 1 1 -3  31  2  o 22.910  2.6961  78.149    15.550    98.798    21.715    56.416    22.277    26.437  3.1272  19.382  4.3927  7.055084       5.392136 
1 1 1 -3  31  3  o 19.333  2.7586  54.921    13.782    49.889    18.940    60.584    20.091    18.345  3.9698  20.322  3.8316  -1.976723      5.517285 
1 1 1 -3  31  4  o 18.436  2.9474  50.719    14.193    47.576    19.404    54.336    20.815    17.822  4.1433  19.050  4.1931  -1.227674      5.894838 
1 1 1 -3  31  5  o 25.166  2.5732  91.327    16.637    74.596    22.782    110.442   24.352    22.521  3.9191  27.812  3.3355  -5.290829      5.146347 
1 1 1 -3  31  6  o 20.496  2.9308  62.517    15.610    39.876    21.230    89.163    23.032    16.160  4.6528  24.831  3.5652  -8.670294      5.861640 
1 1 1 -3  31  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  31  8  o 21.291  2.9929  68.484    16.459    77.283    23.473    59.973    23.085    22.797  3.9895  19.785  4.4625  3.012083       5.985813 
1 1 1 -3  31  9  o 17.767  3.2051  49.097    15.303    50.174    21.370    47.964    21.925    18.002  4.4557  17.532  4.6083  0.4707851      6.410176 
1 1 1 -3  31  10 o 11.143  3.0849  13.509    13.486    8.8168    18.736    18.553    19.426    10.342  4.2385  11.945  4.4836  -1.603042      6.169843 
1 1 1 -3  32  1  o 6.3264  2.1514  -21.6129  10.271    -27.8207  13.240    -12.2298  16.277    5.2684  2.5998  7.3844  3.4287  -2.115926      4.302869 
1 1 1 -3  32  2  o 32.508  2.3422  151.500   19.890    171.569   27.908    130.784   28.354    34.893  3.0157  30.124  3.5845  4.768953       4.684349 
1 1 1 -3  32  3  o 14.442  3.1100  31.056    13.214    25.915    18.418    36.509    18.969    13.368  4.4212  15.517  4.3751  -2.148624      6.220016 
1 1 1 -3  32  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  32  5  o 9.8738  4.0959  6.1865    17.779    6.1865    17.779    0.0000    0.0000    9.8738  4.0959  ?       ?       ?              ?        
1 1 1 -3  32  6  o 18.679  3.1154  53.861    15.312    54.996    20.932    52.555    22.457    18.983  4.2254  18.375  4.5793  0.6080112      6.230869 
1 1 1 -3  32  7  o 11.164  3.0817  14.102    13.281    14.314    17.902    13.843    19.807    11.065  4.2679  11.264  4.4468  -0.1983242     6.163482 
1 1 1 -3  32  8  o 18.179  3.1046  51.635    15.343    35.080    21.105    70.193    22.345    14.910  4.7172  21.448  4.0377  -6.537945      6.209240 
1 1 1 -3  33  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -3  33  2  o 25.523  2.8474  96.575    18.597    77.685    25.457    118.190   27.232    22.594  4.3645  28.451  3.6582  -5.857447      5.694845 
1 1 1 -3  33  3  o 27.639  2.5675  112.981   18.232    129.434   25.342    95.327    26.251    30.029  3.2000  25.249  4.0161  4.780409       5.135051 
1 1 1 -3  33  4  o 10.201  2.9387  8.7629    12.560    7.2619    16.749    10.692    18.986    9.7465  4.0025  10.656  4.3039  -0.9095240     5.877338 
1 1 1 -3  33  5  f 19.523  3.1151  59.244    16.264    38.578    22.105    83.634    24.014    15.540  4.8143  23.507  3.9545  -7.966105      6.230248 
1 1 1 -3  34  1  o 27.680  2.7207  114.340   19.605    111.069   26.989    117.996   28.528    27.295  3.7942  28.066  3.9003  -0.7713318     5.441382 
1 1 1 -3  34  2  o 23.538  3.0074  85.821    18.194    87.222    24.765    84.179    26.817    23.926  4.0060  23.151  4.4867  0.7746792      6.014888 
1 1 1 -2  -36 11 o 20.289  3.2505  65.133    17.058    74.739    26.689    58.499    22.179    21.434  4.7714  19.144  4.4154  2.290001       6.500918 
1 1 1 -2  -36 12 f 16.468  3.4076  44.344    15.853    45.282    24.560    43.675    20.756    16.491  5.0690  16.445  4.5554  0.4615974E-01  6.815171 
1 1 1 -2  -36 13 o 33.457  2.5600  165.896   22.463    187.486   32.777    146.777   30.845    35.643  3.4776  31.271  3.7578  4.371819       5.120052 
1 1 1 -2  -36 14 o 17.206  3.4368  46.305    16.855    67.113    26.190    31.593    22.022    20.252  4.8847  14.161  4.8358  6.090910       6.873540 
1 1 1 -2  -36 15 o 17.144  3.5730  48.762    17.445    49.287    26.387    48.355    23.251    17.117  5.2530  17.171  4.8447  -0.5314827E-01 7.145965 
1 1 1 -2  -36 16 o 14.572  3.4371  33.860    16.682    18.522    25.290    45.675    22.196    12.400  4.9816  16.743  4.7369  -4.343724      6.874193 
1 1 1 -2  -36 17 o 39.623  2.5137  232.214   26.378    239.023   38.114    225.953   36.545    40.155  3.5812  39.090  3.5283  1.064720       5.027370 
1 1 1 -2  -36 18 o 9.4951  2.7728  -0.0069   13.726    -36.2587  23.407    18.992    16.945    7.3726  3.6008  11.618  4.2175  -4.244951      5.545577 
1 1 1 -2  -36 19 o 13.263  3.2906  27.185    15.139    13.866    24.679    35.221    19.170    11.700  4.8372  14.826  4.4623  -3.126034      6.581109 
1 1 1 -2  -36 20 o 32.896  2.7681  164.658   23.853    177.543   34.135    152.362   33.346    34.293  3.7790  31.498  4.0460  2.795286       5.536295 
1 1 1 -2  -36 21 o 27.684  3.0181  120.098   21.613    119.265   31.473    120.841   29.731    27.439  4.4336  27.928  4.0961  -0.4896774     6.036130 
1 1 1 -2  -36 22 o 14.964  3.3288  28.049    17.914    69.620    27.277    -3.4773   23.754    20.286  5.0420  9.6414  4.3477  10.64488       6.657600 
1 1 1 -2  -36 23 o 9.8547  3.1200  -2.5933   16.707    7.1055    26.163    -9.2722   21.711    11.001  4.7777  8.7085  4.0139  2.292483       6.239966 
1 1 1 -2  -36 24 o 37.197  2.8078  214.798   27.527    210.020   39.113    219.486   38.748    36.688  4.0476  37.706  3.8926  -1.017998      5.615624 
1 1 1 -2  -36 25 o 13.054  3.6716  25.314    19.127    27.892    28.746    23.266    25.623    13.435  5.3401  12.673  5.0404  0.7610559      7.343138 
1 1 1 -2  -35 5  o 8.9497  2.7779  -0.0998   12.540    -1.0839   20.152    0.5220    16.019    9.3115  4.1138  8.5880  3.7341  0.7234373      5.555790 
1 1 1 -2  -35 6  o 15.315  3.3942  36.581    15.323    42.830    23.867    32.199    19.987    16.262  4.9967  14.368  4.5953  1.894021       6.788465 
1 1 1 -2  -35 7  o 11.790  2.8825  7.8538    12.926    41.981    21.284    -12.0877  16.270    16.268  4.6512  7.3124  3.4061  8.955452       5.764983 
1 1 1 -2  -35 8  o 11.508  3.1002  16.572    13.167    10.693    22.142    19.788    16.378    11.153  4.5936  11.863  4.1644  -0.7095289     6.200314 
1 1 1 -2  -35 9  o 11.001  3.1073  12.040    13.586    15.032    21.567    10.072    17.493    11.681  4.6310  10.321  4.1444  1.359990       6.214650 
1 1 1 -2  -35 10 o 15.374  3.1753  30.779    14.956    62.238    24.357    11.740    18.949    19.920  4.6499  10.827  4.3255  9.092062       6.350652 
1 1 1 -2  -35 11 o 43.248  2.3103  267.676   26.503    292.633   38.349    244.859   36.668    45.254  3.1841  41.243  3.3482  4.010880       4.620528 
1 1 1 -2  -35 12 o 42.925  2.3252  264.487   26.507    261.092   38.084    267.678   36.918    42.588  3.3660  43.261  3.2089  -0.6722221     4.650495 
1 1 1 -2  -35 13 o 26.535  2.8413  105.660   19.430    99.131    28.458    111.360   26.592    25.551  4.3118  27.520  3.7014  -1.968594      5.682601 
1 1 1 -2  -35 14 o 14.715  3.3617  31.491    15.184    44.643    23.663    22.287    19.796    16.769  4.9366  12.660  4.5643  4.108650       6.723312 
1 1 1 -2  -35 15 o 45.086  2.3817  292.820   28.395    328.643   40.547    258.347   39.776    47.981  3.1729  42.191  3.5528  5.790249       4.763413 
1 1 1 -2  -35 16 o 14.744  3.3973  33.665    15.502    28.856    23.472    37.385    20.645    14.004  4.9784  15.484  4.6242  -1.479714      6.794656 
1 1 1 -2  -35 17 o 10.534  2.5650  3.4558    12.716    -42.8103  20.441    32.661    16.241    6.4375  3.1864  14.631  4.0203  -8.193232      5.129942 
1 1 1 -2  -35 18 o 17.805  3.4957  52.140    17.894    36.150    27.165    64.396    23.783    15.267  5.3630  20.344  4.4853  -5.077236      6.991405 
1 1 1 -2  -35 19 o 35.995  2.5994  190.006   24.678    202.274   35.535    178.576   34.299    37.175  3.6144  34.814  3.7367  2.360836       5.198741 
1 1 1 -2  -35 20 o 18.231  3.6117  54.648    18.712    42.817    27.260    65.190    25.733    16.254  5.3789  20.208  4.8214  -3.954744      7.223457 
1 1 1 -2  -35 21 o 39.020  2.5339  224.167   25.948    252.471   36.562    195.444   36.831    41.786  3.2934  36.254  3.8519  5.531929       5.067863 
1 1 1 -2  -35 22 o 26.091  3.2401  107.476   21.599    89.524    31.001    124.411   30.111    23.493  5.0750  28.689  4.0296  -5.196239      6.480246 
1 1 1 -2  -35 23 o 28.956  3.2701  135.343   23.364    89.424    33.461    179.029   32.638    23.055  5.4962  34.858  3.5450  -11.80312      6.540296 
1 1 1 -2  -35 24 o 18.704  3.2104  57.649    19.173    10.885    27.886    99.580    26.405    11.842  5.0338  25.566  3.9860  -13.72398      6.420846 
1 1 1 -2  -35 25 o 19.819  3.6013  65.200    19.218    73.110    28.340    58.465    26.149    20.950  5.0987  18.688  5.0874  2.261942       7.202665 
1 1 1 -2  -35 26 o 12.302  3.3196  10.020    17.208    43.860    26.546    -14.5045  22.599    16.069  5.3075  8.5352  3.9886  7.534126       6.639124 
1 1 1 -2  -35 27 o 23.930  3.6102  98.668    22.594    72.259    32.730    122.707   31.228    19.980  5.7842  27.879  4.3218  -7.898808      7.220443 
1 1 1 -2  -35 28 o 11.835  3.2310  4.2900    17.756    43.890    25.924    -30.7025  24.369    15.879  5.2450  7.7902  3.7747  8.088640       6.462087 
1 1 1 -2  -35 29 o 26.150  3.4126  116.436   22.973    188.458   33.948    55.586    31.204    35.088  3.6663  17.213  5.7570  17.87513       6.825281 
1 1 1 -2  -35 30 o 14.075  3.6088  32.674    19.239    10.678    28.549    50.973    26.039    11.408  4.9724  16.741  5.2316  -5.332317      7.217667 
1 1 1 -2  -34 1  o 10.531  2.7588  8.3660    12.690    -19.2237  19.844    27.457    16.507    7.6466  3.6235  13.416  4.1610  -5.769071      5.517557 
1 1 1 -2  -34 2  o 12.564  3.1798  22.301    13.800    14.862    21.692    27.360    17.886    11.663  4.6379  13.465  4.3514  -1.802756      6.359580 
1 1 1 -2  -34 3  f 32.962  2.4365  156.693   21.121    174.186   30.925    141.399   28.916    34.749  3.3647  31.175  3.5249  3.574646       4.872980 
1 1 1 -2  -34 4  o 14.581  3.1336  29.746    13.964    48.708    21.493    15.895    18.369    17.716  4.5160  11.446  4.3455  6.269696       6.267137 
1 1 1 -2  -34 5  o 16.923  3.2472  44.089    15.003    47.484    22.736    41.470    19.968    17.435  4.7427  16.410  4.4367  1.024899       6.494415 
1 1 1 -2  -34 6  o 8.4433  2.6468  -2.6037   11.528    -5.2206   19.264    -1.1438   14.388    8.8220  3.9518  8.0646  3.5221  0.7574148      5.293574 
1 1 1 -2  -34 7  o 19.888  3.1909  59.275    16.518    72.724    25.500    49.552    21.681    21.828  4.5107  17.947  4.5145  3.881598       6.381743 
1 1 1 -2  -34 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -34 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -34 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -34 11 o 29.330  2.5424  123.056   19.406    144.276   29.074    106.006   26.061    31.675  3.4844  26.985  3.7032  4.690042       5.084735 
1 1 1 -2  -34 12 f 11.214  3.0516  9.2655    13.570    27.307    21.218    -3.2224   17.653    13.763  4.7451  8.6658  3.8383  5.097279       6.103135 
1 1 1 -2  -34 13 o 18.554  3.1267  51.326    15.246    63.771    23.602    42.417    19.971    20.458  4.4353  16.651  4.4084  3.806314       6.253460 
1 1 1 -2  -34 14 o 17.530  3.3158  46.224    16.505    67.154    24.558    28.984    22.289    20.959  4.5085  14.102  4.8632  6.857001       6.631544 
1 1 1 -2  -34 15 o 10.669  3.0409  8.7848    13.073    16.754    21.384    4.0282    16.520    12.030  4.6576  9.3078  3.9110  2.722244       6.081880 
1 1 1 -2  -34 16 o 22.576  2.9854  76.603    17.242    120.372   25.740    40.980    23.222    28.921  3.3870  16.231  4.9172  12.68962       5.970788 
1 1 1 -2  -34 17 o 11.367  2.9604  10.516    14.223    -16.4215  21.560    31.272    18.925    8.3519  3.9006  14.382  4.4545  -6.030149      5.920860 
1 1 1 -2  -34 18 f 20.057  3.2877  63.366    17.392    52.529    25.711    72.508    23.614    18.182  5.0821  21.933  4.1721  -3.751144      6.575300 
1 1 1 -2  -34 19 o 17.968  3.4500  50.541    17.085    58.686    25.048    43.455    23.363    19.309  4.8498  16.627  4.9081  2.681240       6.899987 
1 1 1 -2  -34 20 o 20.753  3.2544  66.386    17.586    73.754    26.050    60.217    23.837    21.831  4.6002  19.674  4.6048  2.156740       6.508880 
1 1 1 -2  -34 21 f 32.931  2.8014  161.335   23.507    202.569   33.783    122.631   32.730    37.478  3.4024  28.385  4.4514  9.093229       5.602795 
1 1 1 -2  -34 22 o 39.045  2.4685  220.936   25.527    212.126   35.959    229.886   36.243    38.201  3.5552  39.888  3.4255  -1.686951      4.936920 
1 1 1 -2  -34 23 o 26.294  3.0626  106.063   20.287    139.867   29.292    74.902    28.123    30.906  3.6063  21.683  4.9512  9.222866       6.125287 
1 1 1 -2  -34 24 o 11.522  3.3309  12.502    16.232    11.960    24.527    12.924    21.651    11.665  4.8226  11.378  4.5958  0.2878857      6.661784 
1 1 1 -2  -34 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -34 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -34 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -34 28 o 16.015  3.4139  39.863    18.633    7.8671    26.992    68.994    25.754    11.388  4.8991  20.643  4.7558  -9.254864      6.827821 
1 1 1 -2  -34 29 o 8.8477  2.8916  -18.0756  16.367    4.2329    24.933    -34.9665  21.695    10.651  4.6444  7.0445  3.4461  3.606499       5.783256 
1 1 1 -2  -34 30 o 17.032  3.4969  45.155    19.477    82.845    28.772    13.273    26.462    22.307  4.9452  11.756  4.9454  10.55096       6.993719 
1 1 1 -2  -34 31 o 12.955  3.3736  13.660    18.394    52.987    27.532    -18.0425  24.720    17.276  5.3763  8.6328  4.0768  8.643623       6.747221 
1 1 1 -2  -34 32 o 34.755  2.8894  190.441   26.360    195.729   38.268    185.667   36.363    35.143  4.1453  34.368  4.0264  0.7743340      5.778873 
1 1 1 -2  -34 33 o 18.560  3.7809  62.630    20.658    86.987    30.553    42.119    28.037    21.992  5.2581  15.129  5.4344  6.862646       7.561763 
1 1 1 -2  -34 34 o 13.097  3.6154  24.619    19.610    49.101    28.996    3.9805    26.623    15.828  5.5419  10.366  4.6445  5.461230       7.230742 
1 1 1 -2  -33 1  o 26.308  2.6878  102.225   18.155    88.658    26.254    114.658   25.133    24.372  4.1719  28.244  3.3900  -3.872084      5.375541 
1 1 1 -2  -33 2  o 15.649  3.2734  37.498    14.668    34.891    22.336    39.475    19.450    15.190  4.8578  16.107  4.3889  -0.9166613     6.546817 
1 1 1 -2  -33 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -33 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -33 5  o 26.619  2.5076  102.403   17.317    97.598    25.496    106.519   23.594    25.903  3.7867  27.336  3.2884  -1.433006      5.015260 
1 1 1 -2  -33 6  o 17.482  3.0996  46.950    14.515    40.301    22.089    52.001    19.255    16.252  4.7654  18.713  3.9649  -2.460663      6.199144 
1 1 1 -2  -33 7  o 42.547  2.1893  254.325   24.762    264.922   35.815    244.622   34.272    43.395  3.1018  41.699  3.0905  1.696087       4.378594 
1 1 1 -2  -33 8  o 34.117  2.3212  164.711   20.918    176.793   30.389    153.832   28.838    35.332  3.2475  32.902  3.3175  2.430065       4.642453 
1 1 1 -2  -33 9  o 21.236  2.9257  73.457    16.020    32.975    23.873    106.619   21.607    14.969  5.0353  27.503  2.9808  -12.53387      5.851467 
1 1 1 -2  -33 10 o 14.099  3.2197  28.276    13.753    35.321    21.369    23.295    17.968    15.323  4.7313  12.874  4.3683  2.448748       6.439485 
1 1 1 -2  -33 11 o 14.050  3.2578  28.873    14.360    22.320    21.533    34.121    19.272    13.022  4.7502  15.078  4.4596  -2.056385      6.515544 
1 1 1 -2  -33 12 o 11.636  3.0883  12.286    13.636    28.585    21.041    0.4833    17.905    14.064  4.7273  9.2073  3.9755  4.856460       6.176676 
1 1 1 -2  -33 13 f 21.445  3.0220  69.821    16.663    57.626    24.436    80.421    22.782    19.386  4.7446  23.505  3.7443  -4.118734      6.044040 
1 1 1 -2  -33 14 o 7.4600  2.4037  -9.3117   10.952    -27.9739  19.025    -0.0627   13.393    6.9431  3.3570  7.9769  3.4413  -1.033828      4.807466 
1 1 1 -2  -33 15 o 41.632  2.2537  244.643   24.938    247.900   35.291    241.395   35.246    41.924  3.1661  41.340  3.2082  0.5842209      4.507383 
1 1 1 -2  -33 16 o 37.885  2.3673  203.976   23.775    204.305   33.625    203.648   33.621    37.918  3.3451  37.853  3.3507  0.6500244E-01  4.734640 
1 1 1 -2  -33 17 o 29.664  2.5539  127.031   19.674    146.711   28.181    108.321   27.479    32.090  3.3271  27.239  3.8756  4.851170       5.107833 
1 1 1 -2  -33 18 o 11.649  3.2439  14.188    14.826    13.822    22.100    14.488    19.992    11.757  4.6795  11.541  4.4937  0.2156954      6.487745 
1 1 1 -2  -33 19 o 74.449  2.3404  784.165   46.664    796.557   65.866    771.678   66.119    75.081  3.2752  73.817  3.3441  1.263649       4.680822 
1 1 1 -2  -33 20 o 34.156  2.6148  169.530   23.237    142.184   32.618    197.710   33.112    31.104  4.0085  37.208  3.3587  -6.104177      5.229624 
1 1 1 -2  -33 21 o 10.328  3.1207  -1.2643   16.041    15.831    23.491    -16.1994  21.957    12.180  4.8318  8.4751  3.9508  3.705194       6.241405 
1 1 1 -2  -33 22 o 20.442  3.3181  64.833    17.708    64.429    26.548    65.157    23.768    20.243  4.9398  20.642  4.4313  -0.3991909     6.636159 
1 1 1 -2  -33 23 o 14.639  3.0415  24.029    15.548    62.627    23.717    -5.0654   20.591    20.155  4.5062  9.1232  4.0863  11.03219       6.083062 
1 1 1 -2  -33 24 o 11.341  3.0899  4.2847    15.030    33.636    23.170    -17.0385  19.749    14.840  4.9608  7.8419  3.6850  6.997887       6.179717 
1 1 1 -2  -33 25 o 31.197  2.7976  144.709   22.702    161.231   32.267    128.515   31.945    33.172  3.6944  29.223  4.2021  3.949242       5.595225 
1 1 1 -2  -33 26 o 24.091  3.1762  91.140    19.514    116.733   27.515    65.241    27.679    28.105  3.7486  20.078  5.1285  8.026628       6.352438 
1 1 1 -2  -33 27 o 23.891  3.2519  89.104    19.971    114.881   29.030    65.941    27.519    27.628  4.0425  20.154  5.0950  7.473526       6.503887 
1 1 1 -2  -33 28 o 33.497  2.7024  166.933   23.711    182.862   33.762    151.431   33.307    35.248  3.6279  31.746  4.0062  3.501947       5.404726 
1 1 1 -2  -33 29 o 33.616  2.7786  169.346   24.524    173.869   35.596    165.259   33.835    33.996  3.9847  33.235  3.8736  0.7619286      5.557224 
1 1 1 -2  -33 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -33 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -33 32 o 19.969  3.6220  68.829    19.842    53.965    29.353    81.336    26.925    17.521  5.5652  22.417  4.6373  -4.895994      7.244017 
1 1 1 -2  -33 33 o 11.677  3.0741  2.8256    17.443    -47.3111  26.057    43.538    23.481    7.3475  3.6297  16.006  4.9624  -8.658560      6.148182 
1 1 1 -2  -33 34 o 23.499  3.5277  93.657    21.472    101.404   31.733    87.115    29.162    24.381  5.0265  22.617  4.9512  1.763136       7.055456 
1 1 1 -2  -33 35 o 17.139  3.7880  53.087    19.975    73.002    29.547    36.327    27.107    19.933  5.4002  14.346  5.3136  5.587222       7.576068 
1 1 1 -2  -33 36 o 14.505  3.7773  38.824    19.584    48.017    28.034    30.062    27.371    15.762  5.4531  13.249  5.2283  2.513188       7.554570 
1 1 1 -2  -32 1  o 15.231  3.0689  35.005    13.836    20.655    20.381    47.272    18.844    12.642  4.6199  17.821  4.0409  -5.179100      6.137799 
1 1 1 -2  -32 2  o 30.513  2.4078  133.734   19.101    117.943   27.785    147.884   26.302    28.604  3.7142  32.422  3.0650  -3.818094      4.815563 
1 1 1 -2  -32 3  o 12.850  2.9455  19.179    12.293    39.259    19.670    6.3105    15.747    16.153  4.4186  9.5476  3.8962  6.605174       5.891075 
1 1 1 -2  -32 4  o 46.833  2.1638  306.566   26.977    320.483   38.855    293.613   37.485    47.870  3.0462  45.795  3.0738  2.075687       4.327552 
1 1 1 -2  -32 5  f 20.862  2.7428  63.185    14.721    72.222    21.827    55.646    19.937    22.288  3.7921  19.437  3.9639  2.851192       5.485660 
1 1 1 -2  -32 6  o 17.246  2.9789  43.129    13.707    56.973    20.972    32.807    18.110    19.619  4.1219  14.873  4.3016  4.745645       5.957707 
1 1 1 -2  -32 7  o 27.782  2.5629  109.871   18.531    124.276   27.260    97.496    25.266    29.541  3.5142  26.024  3.7316  3.516731       5.125836 
1 1 1 -2  -32 8  o 28.210  2.4212  112.563   17.873    119.403   26.469    106.831   24.232    28.978  3.4798  27.442  3.3674  1.536341       4.842349 
1 1 1 -2  -32 9  o 22.190  2.7041  70.865    15.435    80.820    22.899    62.574    20.896    23.675  3.7349  20.704  3.9114  2.970499       5.408161 
1 1 1 -2  -32 10 o 23.206  2.6533  76.539    15.732    97.047    23.708    60.404    21.030    26.109  3.4764  20.303  4.0093  5.806257       5.306638 
1 1 1 -2  -32 11 f 39.441  2.1995  217.486   22.926    244.603   32.813    191.621   32.046    41.945  2.9392  36.937  3.2730  5.007572       4.399014 
1 1 1 -2  -32 12 o 14.758  3.1996  31.750    13.798    33.813    20.565    30.061    18.608    15.155  4.6351  14.361  4.4119  0.7940540      6.399160 
1 1 1 -2  -32 13 o 54.851  2.1619  418.619   31.631    414.400   44.984    422.746   44.487    54.554  3.0912  55.148  3.0233  -0.5935555     4.323836 
1 1 1 -2  -32 14 o 16.463  3.2613  40.702    15.032    35.761    22.054    44.990    20.544    15.559  4.8069  17.366  4.4088  -1.807133      6.522523 
1 1 1 -2  -32 15 o 23.093  2.8459  77.695    16.764    98.890    24.392    58.723    23.078    26.337  3.5480  19.849  4.4508  6.488722       5.691877 
1 1 1 -2  -32 16 o 62.035  2.1914  535.494   36.341    546.206   51.330    524.728   51.459    62.724  3.0552  61.346  3.1423  1.378181       4.382745 
1 1 1 -2  -32 17 o 42.046  2.2449  247.918   25.004    270.623   35.405    225.325   35.318    44.067  3.0178  40.025  3.3244  4.041264       4.489885 
1 1 1 -2  -32 18 o 58.894  2.1967  483.779   34.541    506.480   48.727    460.852   48.969    60.389  3.0125  57.398  3.1979  2.991020       4.393347 
1 1 1 -2  -32 19 f 23.257  3.0970  81.840    18.423    122.841   26.716    44.665    25.439    29.387  3.4605  17.127  5.1372  12.25999       6.193995 
1 1 1 -2  -32 20 o 47.350  2.2463  314.841   28.277    334.083   39.994    295.607   39.986    48.874  3.0707  45.826  3.2793  3.047344       4.492547 
1 1 1 -2  -32 21 o 22.722  3.0718  76.808    17.992    86.856    25.940    67.491    24.977    24.287  4.1356  21.157  4.5433  3.130552       6.143690 
1 1 1 -2  -32 22 o 32.323  2.5144  149.832   21.275    132.516   29.873    167.653   30.306    30.284  3.7641  34.363  3.3347  -4.079081      5.028742 
1 1 1 -2  -32 23 o 60.376  2.2529  513.703   36.292    517.456   50.835    509.802   51.830    60.644  3.1403  60.108  3.2312  0.5359230      4.505792 
1 1 1 -2  -32 24 o 39.558  2.4468  224.052   25.491    195.593   35.697    253.666   36.414    36.822  3.6682  42.294  3.2391  -5.471661      4.893571 
1 1 1 -2  -32 25 o 29.711  2.6857  129.130   20.830    122.043   29.744    135.951   29.181    28.796  3.9613  30.627  3.6277  -1.830832      5.371427 
1 1 1 -2  -32 26 o 7.2506  2.4431  -22.2567  13.275    -31.1899  19.262    -14.1747  18.321    6.7715  3.2982  7.7297  3.6051  -0.9581575     4.886239 
1 1 1 -2  -32 27 o 47.696  2.3585  326.566   29.831    296.760   42.082    356.674   42.295    45.347  3.4915  50.044  3.1717  -4.696667      4.717025 
1 1 1 -2  -32 28 o 24.330  3.2344  90.679    20.230    108.803   30.023    75.608    27.378    26.745  4.3397  21.915  4.7972  4.830259       6.468850 
1 1 1 -2  -32 29 o 21.137  3.3265  70.414    18.795    99.445    27.472    44.870    25.769    25.623  4.1443  16.650  5.2046  8.972906       6.653059 
1 1 1 -2  -32 30 o 24.401  3.1478  92.120    19.728    109.543   28.659    76.429    27.198    26.875  4.1122  21.927  4.7670  4.948175       6.295556 
1 1 1 -2  -32 31 o 10.716  3.2756  4.6649    17.109    4.4188    25.996    4.8529    22.725    10.963  4.7617  10.469  4.4993  0.4935780      6.551202 
1 1 1 -2  -32 32 o 26.037  3.1857  105.891   21.139    134.758   30.964    80.689    28.931    29.828  3.9745  22.245  4.9797  7.583094       6.371337 
1 1 1 -2  -32 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -32 34 o 31.738  3.0192  157.978   24.732    148.598   36.703    165.778   33.472    30.465  4.6449  33.012  3.8583  -2.547060      6.038341 
1 1 1 -2  -32 35 o 22.882  3.5655  87.661    21.350    109.616   31.689    69.412    28.891    25.841  4.7535  19.922  5.3156  5.919067       7.130998 
1 1 1 -2  -32 36 o 22.466  3.5726  87.021    21.045    99.494    30.152    75.174    29.386    24.361  4.7916  20.570  5.3004  3.791006       7.145212 
1 1 1 -2  -32 37 o 15.523  3.8045  44.619    19.319    43.081    27.996    46.018    26.692    15.260  5.4358  15.786  5.3243  -0.5265646     7.608935 
1 1 1 -2  -32 38 o 7.5198  2.5904  -30.5177  16.850    -37.2411  23.765    -23.7197  23.896    7.1546  3.5214  7.8850  3.7999  -0.7303886     5.180709 
1 1 1 -2  -31 1  o 48.473  2.1549  328.054   27.801    314.285   39.642    341.381   38.999    47.408  3.1396  49.537  2.9526  -2.128349      4.309870 
1 1 1 -2  -31 2  o 44.887  2.1148  280.534   25.271    275.799   36.044    285.110   35.440    44.483  3.0435  45.291  2.9372  -0.8080101     4.229658 
1 1 1 -2  -31 3  o 11.948  2.9628  17.471    11.832    25.906    18.089    11.164    15.642    13.507  4.3772  10.389  3.9941  3.118364       5.925608 
1 1 1 -2  -31 4  o 16.363  3.0222  38.131    13.742    55.112    20.812    25.005    18.298    19.366  4.1378  13.360  4.4062  6.005444       6.044490 
1 1 1 -2  -31 5  o 26.487  2.5360  101.289   17.139    83.016    24.909    117.721   23.620    23.954  4.0251  29.020  3.0861  -5.066610      5.072020 
1 1 1 -2  -31 6  o 23.309  2.6150  77.629    15.231    110.196   22.588    50.474    20.626    28.097  3.0504  18.521  4.2482  9.576433       5.229958 
1 1 1 -2  -31 7  o 14.161  3.1288  28.748    13.071    26.960    20.588    29.955    16.919    13.951  4.6762  14.371  4.1582  -0.4194365     6.257596 
1 1 1 -2  -31 8  o 26.729  2.3683  100.288   16.543    102.740   24.362    98.191    22.536    26.999  3.4475  26.459  3.2480  0.5395298      4.736541 
1 1 1 -2  -31 9  o 41.288  2.1349  235.750   23.409    253.492   33.559    218.934   32.670    42.840  2.9424  39.736  3.0940  3.104942       4.269716 
1 1 1 -2  -31 10 o 20.392  2.7954  59.189    14.660    86.633    22.056    37.467    19.622    24.791  3.4120  15.994  4.4289  8.796606       5.590767 
1 1 1 -2  -31 11 o 20.675  2.9380  64.421    15.609    44.084    23.023    81.720    21.233    17.271  4.8026  24.079  3.3857  -6.807964      5.876092 
1 1 1 -2  -31 12 o 34.632  2.2326  166.788   20.457    162.736   29.382    170.601   28.500    34.184  3.2480  35.079  3.0640  -0.8955269     4.465149 
1 1 1 -2  -31 13 o 40.834  2.1549  230.661   23.397    227.387   33.065    233.945   33.112    40.533  3.0683  41.134  3.0266  -0.6010017     4.309807 
1 1 1 -2  -31 14 o 45.513  2.1333  286.334   25.806    307.608   36.622    265.352   36.369    47.249  2.9079  43.777  3.1222  3.471889       4.266562 
1 1 1 -2  -31 15 o 14.625  3.0899  30.628    13.751    17.097    20.167    42.386    18.799    12.222  4.5720  17.029  4.1576  -4.807245      6.179725 
1 1 1 -2  -31 16 o 41.725  2.2079  242.240   24.320    273.334   34.413    211.216   34.374    44.520  2.9018  38.931  3.3285  5.588875       4.415764 
1 1 1 -2  -31 17 o 34.792  2.3294  169.562   21.189    141.182   29.689    199.025   30.250    31.673  3.5614  37.911  3.0036  -6.238743      4.658853 
1 1 1 -2  -31 18 o 61.023  2.1733  515.107   35.358    556.894   50.071    473.545   49.937    63.613  2.9387  58.434  3.2027  5.178612       4.346673 
1 1 1 -2  -31 19 o 48.719  2.1660  328.882   28.119    331.049   39.566    326.671   39.970    48.896  3.0360  48.542  3.0902  0.3540993      4.332091 
1 1 1 -2  -31 20 o 60.431  2.1674  505.912   34.966    506.992   49.374    504.825   49.526    60.502  3.0567  60.361  3.0735  0.1406593      4.334711 
1 1 1 -2  -31 21 o 20.879  3.1127  67.053    17.417    32.596    24.870    100.220   24.400    15.178  5.1393  26.581  3.5133  -11.40291      6.225396 
1 1 1 -2  -31 22 o 12.095  3.2372  16.204    14.497    21.583    20.904    11.220    20.122    12.971  4.6882  11.219  4.4652  1.752485       6.474317 
1 1 1 -2  -31 23 o 35.892  2.4450  184.022   22.734    219.651   31.963    147.543   32.342    39.690  3.0295  32.094  3.8385  7.596478       4.889941 
1 1 1 -2  -31 24 o 32.137  2.4533  146.591   20.779    149.127   29.411    144.063   29.362    32.433  3.4380  31.841  3.5006  0.5922585      4.906558 
1 1 1 -2  -31 25 f 14.095  3.1969  26.801    15.452    4.5738    22.729    45.903    21.070    10.752  4.5563  17.438  4.4856  -6.685787      6.393775 
1 1 1 -2  -31 26 o 49.379  2.2410  343.071   29.483    343.550   41.639    342.589   41.752    49.419  3.1623  49.339  3.1763  0.7992172E-01  4.482078 
1 1 1 -2  -31 27 f 34.959  2.4757  175.189   22.855    170.703   32.522    179.567   32.126    34.466  3.5749  35.453  3.4258  -0.9874458     4.951389 
1 1 1 -2  -31 28 o 14.566  3.3734  30.938    15.385    40.596    22.703    22.736    20.922    16.194  4.8521  12.938  4.6881  3.255136       6.746887 
1 1 1 -2  -31 29 f 14.264  3.2222  29.101    15.545    7.9635    22.771    47.552    21.274    11.006  4.6062  17.523  4.5071  -6.517158      6.444461 
1 1 1 -2  -31 30 o 8.9170  2.8558  -10.5706  15.265    -25.4540  22.294    2.5652    20.944    7.8459  3.7523  9.9881  4.3062  -2.142214      5.711670 
1 1 1 -2  -31 31 o 13.033  3.4175  22.934    16.312    13.303    23.897    31.337    22.321    11.745  4.7972  14.321  4.8687  -2.575129      6.834958 
1 1 1 -2  -31 32 o 35.858  2.5118  188.157   23.721    208.673   34.318    169.389   32.824    37.848  3.4222  33.868  3.6775  3.980206       5.023539 
1 1 1 -2  -31 33 o 29.526  2.8281  131.390   21.696    147.372   31.619    117.169   29.824    31.360  3.8448  27.693  4.1485  3.666384       5.656180 
1 1 1 -2  -31 34 o 36.515  2.6306  198.343   25.307    216.769   36.794    181.800   34.863    38.209  3.6392  34.821  3.7996  3.387951       5.261249 
1 1 1 -2  -31 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -31 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -31 37 o 12.757  3.5328  23.357    17.571    27.377    25.495    19.720    24.251    13.320  5.1045  12.194  4.8855  1.126196       7.065672 
1 1 1 -2  -31 38 o 19.804  3.7109  71.174    20.442    56.189    29.501    85.015    28.352    17.327  5.5872  22.281  4.8854  -4.953884      7.421834 
1 1 1 -2  -31 39 o 17.134  3.8393  55.778    19.783    61.788    28.827    50.428    27.198    17.958  5.4870  16.309  5.3716  1.649748       7.678626 
1 1 1 -2  -31 40 o 9.3273  2.9704  -10.7696  17.286    -41.1187  24.474    19.437    24.417    7.0712  3.4977  11.583  4.8021  -4.512202      5.940873 
1 1 1 -2  -30 1  o 20.304  2.8099  60.258    14.675    54.190    21.494    65.557    20.086    19.203  4.2874  21.405  3.6332  -2.202440      5.619793 
1 1 1 -2  -30 2  o 14.123  2.8985  28.510    12.375    14.700    18.010    40.862    17.033    11.479  4.3154  16.768  3.8709  -5.289829      5.797094 
1 1 1 -2  -30 3  o 34.766  2.1442  167.386   19.765    169.613   28.199    165.236   27.711    34.992  3.0388  34.540  3.0258  0.4524422      4.288345 
1 1 1 -2  -30 4  o 7.7967  2.4513  -4.0945   10.006    -5.9753   16.382    -2.9753   12.637    8.1685  3.6527  7.4248  3.2701  0.7437038      4.902649 
1 1 1 -2  -30 5  o 30.220  2.2551  126.777   17.960    130.348   26.119    123.574   24.735    30.612  3.2345  29.829  3.1433  0.7833538      4.510221 
1 1 1 -2  -30 6  f 43.075  2.0468  254.712   23.464    266.650   33.755    243.551   32.638    44.061  2.8759  42.088  2.9131  1.973095       4.093563 
1 1 1 -2  -30 7  o 43.337  2.0683  257.867   23.860    264.343   34.284    251.785   33.226    43.862  2.9351  42.811  2.9150  1.051483       4.136664 
1 1 1 -2  -30 8  o 39.335  2.1154  212.496   22.072    232.044   31.902    194.544   30.571    41.102  2.9167  37.567  3.0648  3.534531       4.230885 
1 1 1 -2  -30 9  o 49.767  2.0775  339.471   27.551    356.869   39.427    322.870   38.515    51.033  2.8963  48.502  2.9792  2.531525       4.155035 
1 1 1 -2  -30 10 o 44.985  2.0606  277.516   24.667    294.544   35.142    260.980   34.631    46.375  2.8428  43.594  2.9839  2.781689       4.121296 
1 1 1 -2  -30 11 o 54.839  2.0954  412.171   30.659    405.548   43.472    418.725   43.247    54.386  2.9958  55.293  2.9306  -0.9065323     4.190811 
1 1 1 -2  -30 12 o 98.437  2.4978  1335.05   65.822    1394.03   93.671    1277.52   92.512    100.629 3.4753  96.245  3.5887  4.383583       4.995618 
1 1 1 -2  -30 13 o 59.823  2.1171  489.832   33.864    482.785   47.875    496.888   47.907    59.346  3.0218  60.301  2.9661  -0.9557915     4.234246 
1 1 1 -2  -30 14 o 57.939  2.1238  460.128   32.845    457.355   46.313    462.934   46.588    57.763  3.0038  58.115  3.0032  -0.3523560     4.247590 
1 1 1 -2  -30 15 o 41.124  2.1561  232.648   23.577    235.628   33.210    229.620   33.478    41.403  3.0154  40.846  3.0827  0.5573997      4.312233 
1 1 1 -2  -30 16 o 47.333  2.1220  309.175   26.553    350.165   37.454    267.758   37.649    50.600  2.7741  44.067  3.2118  6.532909       4.243985 
1 1 1 -2  -30 17 o 67.794  2.1579  629.491   39.183    629.771   55.152    629.206   55.676    67.817  3.0362  67.772  3.0671  0.4562378E-01  4.315796 
1 1 1 -2  -30 18 o 63.286  2.1137  548.483   35.820    556.348   50.381    540.444   50.939    63.763  2.9499  62.809  3.0279  0.9538040      4.227327 
1 1 1 -2  -30 19 o 68.600  2.1565  645.388   39.623    645.061   55.762    645.723   56.314    68.590  3.0352  68.610  3.0644  -0.1979065E-01 4.313092 
1 1 1 -2  -30 20 o 9.5449  2.8629  1.3005    12.853    -4.2711   18.897    6.0972    17.534    9.0406  3.9894  10.049  4.1073  -1.008557      5.725893 
1 1 1 -2  -30 21 o 31.232  2.4395  136.476   20.055    131.462   28.328    141.514   28.396    30.625  3.5173  31.839  3.3814  -1.213947      4.879070 
1 1 1 -2  -30 22 o 54.252  2.1284  405.725   30.802    400.577   43.115    411.092   44.021    53.906  2.9980  54.598  3.0219  -0.6926117     4.256744 
1 1 1 -2  -30 23 o 33.963  2.3290  161.070   20.910    155.930   29.627    166.171   29.515    33.392  3.3580  34.534  3.2282  -1.142197      4.658085 
1 1 1 -2  -30 24 o 39.459  2.2184  216.762   23.137    192.069   32.446    242.308   33.002    37.080  3.3014  41.839  2.9641  -4.759125      4.436807 
1 1 1 -2  -30 25 o 34.793  2.3303  170.236   21.260    146.123   29.948    194.732   30.185    32.166  3.5343  37.419  3.0379  -5.252815      4.660527 
1 1 1 -2  -30 26 f 21.691  2.9690  69.120    16.618    66.533    23.738    71.606    23.273    21.230  4.3213  22.151  4.0727  -0.9202957     5.938025 
1 1 1 -2  -30 27 o 18.297  3.0160  49.316    15.886    82.804    23.033    18.935    21.938    23.974  3.7064  12.619  4.7590  11.35484       6.032076 
1 1 1 -2  -30 28 o 39.463  2.2561  219.027   23.543    244.204   33.776    195.235   32.833    41.767  3.0400  37.159  3.3343  4.607933       4.512162 
1 1 1 -2  -30 29 o 14.359  3.3604  30.062    15.518    19.792    23.123    38.478    20.933    12.795  4.8711  15.923  4.6304  -3.128510      6.720733 
1 1 1 -2  -30 30 o 17.275  3.3043  46.654    16.511    28.030    24.070    63.204    22.690    14.085  5.0378  20.466  4.2770  -6.381113      6.608502 
1 1 1 -2  -30 31 o 19.412  3.2902  57.705    17.205    78.220    25.503    40.571    23.307    22.699  4.3531  16.126  4.9349  6.572489       6.580489 
1 1 1 -2  -30 32 o 9.9840  3.0597  -0.0431   15.250    9.6821    22.732    -8.0007   20.563    11.166  4.6316  8.8019  3.9995  2.364285       6.119481 
1 1 1 -2  -30 33 o 11.066  3.2766  8.8776    16.332    5.9034    24.123    11.395    22.192    10.889  4.6566  11.243  4.6110  -0.3539429     6.553257 
1 1 1 -2  -30 34 o 53.030  2.3085  405.849   32.594    431.960   46.785    381.224   45.435    54.761  3.2036  51.298  3.3246  3.463303       4.616969 
1 1 1 -2  -30 35 o 11.305  3.1913  7.0149    16.440    -16.5865  23.318    30.341    23.182    8.5945  4.0275  14.016  4.9513  -5.421993      6.382507 
1 1 1 -2  -30 36 o 18.785  3.6125  59.222    18.657    57.352    27.185    60.886    25.651    18.394  5.2557  19.177  4.9575  -0.7823257     7.224915 
1 1 1 -2  -30 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -30 38 o 11.797  3.4630  12.569    18.661    27.074    26.572    -1.5471   26.214    13.397  5.1905  10.198  4.5858  3.199531       6.926098 
1 1 1 -2  -30 39 o 12.090  3.3592  12.415    18.482    -17.8612  26.542    40.916    25.751    8.9262  4.2181  15.253  5.2292  -6.327264      6.718408 
1 1 1 -2  -30 40 o 10.406  3.2537  4.8873    17.898    8.4106    25.339    1.3796    25.283    10.746  4.6841  10.067  4.5172  0.6790648      6.507343 
1 1 1 -2  -30 41 o 10.610  3.2854  6.9837    18.293    -5.9920   25.735    20.236    26.007    9.3551  4.3322  11.865  4.9405  -2.509888      6.570880 
1 1 1 -2  -29 1  o 12.841  2.9487  22.505    11.577    23.209    17.125    21.913    15.710    13.038  4.2608  12.644  4.0773  0.3942900      5.897356 
1 1 1 -2  -29 2  o 57.754  2.0806  456.401   32.122    469.320   45.831    443.927   45.035    58.602  2.9198  56.906  2.9649  1.696922       4.161252 
1 1 1 -2  -29 3  o 33.547  2.1136  155.157   18.747    144.532   26.602    165.641   26.425    32.359  3.1074  34.734  2.8659  -2.374973      4.227196 
1 1 1 -2  -29 4  o 40.704  2.0434  226.706   22.099    244.246   31.802    210.325   30.732    42.252  2.8264  39.157  2.9519  3.095253       4.086810 
1 1 1 -2  -29 5  o 68.380  2.1346  637.817   39.088    655.616   55.851    620.730   54.723    69.319  3.0080  67.441  3.0294  1.878372       4.269155 
1 1 1 -2  -29 6  o 54.152  2.0497  400.296   29.602    419.991   42.226    381.263   41.510    55.482  2.8511  52.822  2.9456  2.659801       4.099463 
1 1 1 -2  -29 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 11 o 42.995  2.9245  250.418   32.654    294.020   52.673    223.201   41.616    45.897  4.3360  40.093  3.9256  5.804157       5.849060 
1 1 1 -2  -29 12 o 28.424  2.3331  111.692   17.416    117.491   24.831    106.077   24.433    29.177  3.2316  27.671  3.3659  1.505926       4.666103 
1 1 1 -2  -29 13 o 54.240  2.0661  401.714   29.856    424.721   42.050    378.323   42.399    55.846  2.8203  52.635  3.0201  3.211277       4.132175 
1 1 1 -2  -29 14 o 47.516  2.0631  308.600   26.068    331.831   36.855    285.343   36.875    49.349  2.7997  45.682  3.0309  3.667217       4.126124 
1 1 1 -2  -29 15 o 13.953  3.1441  26.714    13.240    25.335    19.434    27.908    18.086    13.750  4.5412  14.156  4.3496  -0.4062901     6.288229 
1 1 1 -2  -29 16 o 29.975  2.2938  124.068   18.117    124.789   25.361    123.317   25.889    30.078  3.1970  29.873  3.2901  0.2051907      4.587569 
1 1 1 -2  -29 17 o 25.068  2.6027  88.051    16.947    86.876    24.222    89.178    23.720    24.881  3.7512  25.255  3.6091  -0.3745213     5.205475 
1 1 1 -2  -29 18 o 38.937  2.1550  208.039   22.280    199.246   31.478    216.867   31.540    38.088  3.1127  39.787  2.9813  -1.698349      4.310095 
1 1 1 -2  -29 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 23 o 35.063  2.2864  170.518   21.126    152.128   29.730    189.274   30.026    33.073  3.4048  37.052  3.0526  -3.978962      4.572821 
1 1 1 -2  -29 24 o 38.656  2.1935  206.466   22.489    219.238   31.950    193.924   31.661    39.881  3.0133  37.431  3.1883  2.450512       4.386939 
1 1 1 -2  -29 25 o 30.225  2.3891  127.530   18.952    140.151   27.292    115.776   26.338    31.727  3.2577  28.723  3.4956  3.004313       4.778267 
1 1 1 -2  -29 26 o 42.873  2.1214  253.999   24.195    264.067   34.391    244.133   34.045    43.738  2.9529  42.008  3.0465  1.730751       4.242714 
1 1 1 -2  -29 27 o 32.273  2.3331  145.683   19.866    153.893   28.469    137.892   27.735    33.189  3.2439  31.356  3.3543  1.832827       4.666247 
1 1 1 -2  -29 28 o 21.095  3.0230  65.914    16.532    87.674    23.751    45.463    23.026    24.761  3.6942  17.429  4.7861  7.332235       6.045973 
1 1 1 -2  -29 29 o 9.5237  2.7867  -2.4059   13.313    -26.1365  19.986    16.522    17.849    7.3555  3.5270  11.692  4.3155  -4.336224      5.573483 
1 1 1 -2  -29 30 o 10.265  3.0331  4.2985    14.031    11.158    20.730    -1.5013   19.061    11.254  4.5142  9.2755  4.0523  1.978668       6.066224 
1 1 1 -2  -29 31 o 15.668  3.1991  34.028    15.607    59.380    23.154    12.920    21.127    19.815  4.4692  11.521  4.5786  8.293353       6.398196 
1 1 1 -2  -29 32 o 17.877  3.4289  49.754    16.822    48.160    24.709    51.131    22.967    17.557  5.0086  18.197  4.6843  -0.6400032     6.857774 
1 1 1 -2  -29 33 o 14.271  3.4285  29.963    16.325    17.482    24.281    40.260    22.053    12.460  4.9220  16.081  4.7740  -3.620483      6.856911 
1 1 1 -2  -29 34 o 8.7606  2.7634  -13.3895  14.415    -35.6784  20.231    9.5951    20.544    6.7406  3.3038  10.781  4.4307  -4.040103      5.526837 
1 1 1 -2  -29 35 f 34.765  2.6657  180.747   23.803    142.818   33.754    218.268   33.572    30.654  4.2231  38.876  3.2540  -8.222147      5.331306 
1 1 1 -2  -29 36 o 16.818  3.6471  46.457    18.162    54.985    26.147    38.506    25.247    18.213  5.1372  15.424  5.1783  2.788152       7.294237 
1 1 1 -2  -29 37 o 36.953  2.5869  203.755   25.203    193.122   36.048    213.923   35.251    35.845  3.8132  38.062  3.4969  -2.217224      5.173834 
1 1 1 -2  -29 38 o 20.051  3.6670  68.088    19.859    72.113    28.327    64.196    27.850    20.695  5.1349  19.408  5.2364  1.286280       7.333977 
1 1 1 -2  -29 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -29 40 o 18.553  3.7287  61.382    19.701    50.457    27.966    72.145    27.759    16.716  5.4441  20.390  5.0966  -3.674351      7.457448 
1 1 1 -2  -29 41 o 23.556  3.5879  97.351    22.010    84.564    30.706    110.864   31.567    21.590  5.3395  25.521  4.7940  -3.930437      7.175828 
1 1 1 -2  -29 42 o 17.144  3.7906  56.219    20.890    82.106    30.103    32.176    29.012    20.837  5.3623  13.451  5.3591  7.386005       7.581179 
1 1 1 -2  -28 1  o 22.932  2.3606  73.245    14.049    79.202    20.256    67.723    19.503    23.868  3.2532  21.996  3.4215  1.872061       4.721210 
1 1 1 -2  -28 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -28 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -28 4  o 30.634  3.1942  133.383   24.081    129.013   40.643    135.747   29.893    29.971  5.2544  31.297  3.6335  -1.326002      6.388325 
1 1 1 -2  -28 5  o 19.071  2.6228  51.160    12.890    61.787    18.840    41.807    17.675    21.015  3.4681  17.127  3.9356  3.888643       5.245620 
1 1 1 -2  -28 6  o 37.690  2.0176  193.982   20.088    220.973   28.756    168.255   28.074    40.308  2.6787  35.072  3.0180  5.236614       4.035292 
1 1 1 -2  -28 7  o 34.317  2.0277  160.740   18.466    163.782   26.284    157.775   25.949    34.642  2.8582  33.992  2.8770  0.6494637      4.055458 
1 1 1 -2  -28 8  o 57.783  2.0309  453.318   31.370    448.931   44.721    457.568   44.016    57.461  2.9153  58.104  2.8282  -0.6430893     4.061710 
1 1 1 -2  -28 9  o 64.063  2.0541  556.414   35.244    566.857   50.176    546.243   49.515    64.659  2.8972  63.468  2.9127  1.190720       4.108220 
1 1 1 -2  -28 10 o 15.835  2.8510  35.986    12.535    23.045    18.052    48.039    17.421    13.218  4.3773  18.451  3.6542  -5.233483      5.702040 
1 1 1 -2  -28 11 o 55.205  2.0261  413.962   29.843    385.229   42.080    443.038   42.331    53.212  2.9642  57.198  2.7630  -3.985500      4.052247 
1 1 1 -2  -28 12 o 33.464  2.1155  153.099   18.734    143.070   26.273    163.472   26.719    32.323  3.0716  34.606  2.9096  -2.283386      4.230906 
1 1 1 -2  -28 13 o 15.462  2.8658  34.168    12.258    24.926    17.661    42.758    17.028    13.559  4.3179  17.365  3.7691  -3.806480      5.731536 
1 1 1 -2  -28 14 o 51.134  2.0109  355.396   27.404    334.355   38.430    377.165   39.089    49.573  2.9069  52.696  2.7793  -3.122303      4.021757 
1 1 1 -2  -28 15 o 55.083  2.0255  412.319   29.768    396.002   41.734    429.220   42.474    53.962  2.8981  56.205  2.8304  -2.243149      4.050941 
1 1 1 -2  -28 16 o 57.028  2.0340  441.839   30.998    452.181   43.572    431.239   44.110    57.755  2.8166  56.300  2.9353  1.455696       4.068045 
1 1 1 -2  -28 17 o 41.576  2.0691  236.396   22.811    255.955   32.048    216.313   32.474    43.370  2.7734  39.782  3.0715  3.588284       4.138288 
1 1 1 -2  -28 18 o 23.712  2.5037  78.560    15.331    69.220    21.545    88.142    21.821    22.196  3.7581  25.228  3.3091  -3.031496      5.007326 
1 1 1 -2  -28 19 o 14.473  3.0401  28.768    13.473    14.238    19.522    41.981    18.616    11.813  4.4810  17.133  4.1095  -5.319520      6.080133 
1 1 1 -2  -28 20 o 61.194  2.0420  508.767   33.467    508.459   47.034    509.082   47.631    61.180  2.8702  61.207  2.9053  -0.2679825E-01 4.083992 
1 1 1 -2  -28 21 o 22.433  2.6635  70.916    15.424    73.489    21.636    68.258    21.994    22.887  3.6522  21.978  3.8778  0.9081573      5.326903 
1 1 1 -2  -28 22 o 60.766  2.0599  502.411   33.515    484.045   47.061    521.312   47.742    59.629  2.9466  61.904  2.8793  -2.275570      4.119822 
1 1 1 -2  -28 23 o 17.238  2.8808  43.583    14.352    15.594    20.674    69.618    19.940    12.184  4.6139  22.292  3.4509  -10.10840      5.761658 
1 1 1 -2  -28 24 o 54.267  2.0575  402.979   29.755    425.686   42.023    380.148   42.138    55.840  2.8188  52.695  2.9979  3.145214       4.114971 
1 1 1 -2  -28 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -28 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -28 27 o 43.279  2.1149  257.858   24.361    262.648   34.839    253.276   34.077    43.671  2.9965  42.886  2.9852  0.7851944      4.229719 
1 1 1 -2  -28 28 o 25.164  2.6823  90.231    17.116    116.073   24.906    67.107    23.561    28.824  3.2847  21.503  4.2414  7.321198       5.364570 
1 1 1 -2  -28 29 o 46.076  2.1442  294.155   26.274    283.297   37.695    304.415   36.641    45.195  3.1332  46.957  2.9279  -1.762344      4.288304 
1 1 1 -2  -28 30 o 43.215  2.1725  258.803   24.903    288.030   36.175    232.477   34.332    45.584  2.9792  40.845  3.1628  4.739147       4.345018 
1 1 1 -2  -28 31 o 16.070  3.1352  38.046    15.732    11.948    23.072    60.725    21.507    11.804  4.7526  20.335  4.0903  -8.531612      6.270356 
1 1 1 -2  -28 32 o 11.981  3.2403  14.176    14.771    25.658    22.385    5.3219    19.657    13.715  4.8633  10.247  4.2834  3.467441       6.480678 
1 1 1 -2  -28 33 o 33.014  2.3991  155.493   20.856    152.807   30.398    157.883   28.669    32.661  3.5310  33.367  3.2489  -0.7065964     4.798291 
1 1 1 -2  -28 34 o 38.784  2.3269  214.452   23.929    212.214   34.301    216.575   33.399    38.539  3.3564  39.029  3.2238  -0.4899368     4.653848 
1 1 1 -2  -28 35 o 8.9003  2.8400  -7.8646   14.583    0.2345    20.522    -16.1243  20.725    9.6509  4.2108  8.1498  3.8121  1.501101       5.680060 
1 1 1 -2  -28 36 o 12.482  3.2853  15.809    16.270    37.616    23.510    -4.2335   22.539    15.418  4.9894  9.5460  4.2755  5.871943       6.570681 
1 1 1 -2  -28 37 o 18.312  3.5462  55.034    17.985    49.247    25.496    60.766    25.372    17.280  5.1338  19.344  4.8933  -2.064007      7.092317 
1 1 1 -2  -28 38 o 13.635  3.5502  27.393    17.316    19.750    24.342    35.223    24.639    12.467  4.9271  14.803  5.1128  -2.335510      7.100482 
1 1 1 -2  -28 39 o 19.477  3.6155  64.347    19.680    46.434    27.758    82.452    27.906    16.457  5.4269  22.496  4.7788  -6.038738      7.231005 
1 1 1 -2  -28 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -28 41 o 8.8893  2.9255  -11.8510  16.876    -11.9226  23.067    -11.7685  24.754    8.7230  4.0606  9.0557  4.2125  -0.3326874     5.850991 
1 1 1 -2  -28 42 o 11.115  3.3456  9.0142    18.061    -5.1863   24.943    24.664    26.185    9.4906  4.3476  12.739  5.0863  -3.248593      6.691175 
1 1 1 -2  -28 43 o 13.669  3.6586  32.122    19.558    49.095    27.289    14.196    28.045    15.906  5.3835  11.433  4.9559  4.472956       7.317252 
1 1 1 -2  -27 1  o 12.605  2.4251  18.930    10.779    -7.5087   15.761    42.164    14.775    7.8859  3.5501  17.324  3.3046  -9.438421      4.850124 
1 1 1 -2  -27 2  o 9.7659  2.6271  8.7973    9.7470    2.9004    14.468    13.698    13.189    8.9005  3.6937  10.631  3.7368  -1.730745      5.254251 
1 1 1 -2  -27 3  o 27.565  2.1103  104.323   15.304    100.282   21.965    108.135   21.335    27.016  3.0911  28.113  2.8737  -1.096634      4.220579 
1 1 1 -2  -27 4  o 15.694  2.7139  35.274    11.471    26.554    16.528    43.378    15.934    13.835  4.1388  17.553  3.5117  -3.717957      5.427858 
1 1 1 -2  -27 5  o 28.407  2.1391  110.771   15.984    106.313   23.079    114.881   22.158    27.824  3.1525  28.991  2.8921  -1.167284      4.278149 
1 1 1 -2  -27 6  o 18.509  2.5684  47.943    12.260    53.972    18.001    42.726    16.744    19.628  3.5549  17.390  3.7081  2.237452       5.136807 
1 1 1 -2  -27 7  o 37.219  1.9892  188.500   19.625    206.527   28.003    171.102   27.511    39.001  2.6972  35.437  2.9246  3.564499       3.978471 
1 1 1 -2  -27 8  o 50.011  1.9869  339.350   26.446    368.930   37.746    310.827   37.065    52.180  2.7100  47.841  2.9063  4.339722       3.973716 
1 1 1 -2  -27 9  o 59.655  1.9961  481.200   31.887    495.329   45.355    467.391   44.841    60.526  2.7977  58.784  2.8479  1.741821       3.992150 
1 1 1 -2  -27 10 o 35.163  2.0527  168.796   19.039    190.886   27.110    147.301   26.743    37.490  2.7183  32.837  3.0764  4.652550       4.105314 
1 1 1 -2  -27 11 o 47.161  1.9933  302.031   25.039    315.165   35.269    288.684   35.553    48.215  2.7423  46.107  2.8936  2.108917       3.986599 
1 1 1 -2  -27 12 o 104.104 2.4692  1473.07   68.826    1523.55   97.601    1423.14   97.070    105.901 3.4409  102.308 3.5423  3.592865       4.938385 
1 1 1 -2  -27 13 o 83.050  2.2074  934.711   49.102    929.866   69.272    939.603   69.612    82.834  3.1222  83.267  3.1212  -0.4328918     4.414731 
1 1 1 -2  -27 14 o 137.165 2.9662  2574.51   108.971   2598.76   154.264   2550.36   153.955   137.820 4.1789  136.509 4.2106  1.311462       5.932299 
1 1 1 -2  -27 15 f 30.081  2.2992  125.979   17.791    152.488   24.994    98.752    25.330    33.462  2.8148  26.701  3.6364  6.761692       4.598473 
1 1 1 -2  -27 16 o 70.802  2.0751  678.614   39.346    661.064   55.214    696.721   56.083    69.868  2.9504  71.736  2.9188  -1.868004      4.150235 
1 1 1 -2  -27 17 o 73.635  2.1039  734.827   41.483    745.252   58.249    724.098   59.092    74.177  2.9317  73.092  3.0183  1.084953       4.207766 
1 1 1 -2  -27 18 o 39.124  2.0302  209.729   20.950    235.796   29.345    182.634   29.918    41.681  2.6421  36.568  3.0833  5.113663       4.060480 
1 1 1 -2  -27 19 o 24.284  2.5238  82.636    15.533    61.334    21.567    105.592   22.389    20.834  4.0104  27.734  3.0652  -6.899845      5.047634 
1 1 1 -2  -27 20 o 9.0562  2.6815  1.9606    11.005    -1.9017   16.111    5.3388    15.067    8.6680  3.7568  9.4443  3.8273  -0.7763357     5.362947 
1 1 1 -2  -27 21 o 19.806  2.8144  55.681    14.408    47.849    20.192    63.807    20.566    18.305  4.2065  21.307  3.7401  -3.002007      5.628752 
1 1 1 -2  -27 22 o 53.160  1.9983  384.304   28.350    379.616   39.911    389.079   40.278    52.830  2.8308  53.489  2.8214  -0.6586761     3.996655 
1 1 1 -2  -27 23 o 70.007  2.0741  665.913   38.889    672.787   54.905    658.992   55.092    70.377  2.9127  69.638  2.9536  0.7391434      4.148188 
1 1 1 -2  -27 24 o 20.789  2.8054  61.650    15.012    52.189    21.276    71.030    21.185    19.077  4.2703  22.500  3.6395  -3.422707      5.610841 
1 1 1 -2  -27 25 o 48.707  2.0324  323.882   26.385    314.818   37.444    332.822   37.185    48.011  2.9257  49.403  2.8219  -1.391472      4.064797 
1 1 1 -2  -27 26 o 17.890  3.0934  46.467    14.701    42.480    21.697    49.851    19.988    17.146  4.6202  18.633  4.1148  -1.486897      6.186879 
1 1 1 -2  -27 27 o 27.814  2.4261  107.743   17.552    123.826   25.272    92.756    24.395    29.913  3.2040  25.714  3.6440  4.199499       4.852285 
1 1 1 -2  -27 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -27 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -27 30 o 24.206  2.7560  84.162    17.145    77.780    25.120    89.727    23.458    23.210  4.1952  25.202  3.5753  -1.992172      5.512065 
1 1 1 -2  -27 31 o 31.750  2.3434  141.513   19.558    132.885   28.191    149.519   27.156    30.733  3.4864  32.766  3.1324  -2.033310      4.686856 
1 1 1 -2  -27 32 o 14.263  3.1633  26.416    15.192    4.8196    21.610    47.520    21.362    10.652  4.4743  17.874  4.4728  -7.221850      6.326543 
1 1 1 -2  -27 33 o 25.120  2.9344  92.281    18.994    82.751    26.678    102.078   27.049    23.668  4.3692  26.571  3.9182  -2.903513      5.868769 
1 1 1 -2  -27 34 o 11.872  3.2292  12.848    15.195    26.973    22.079    0.1393    20.943    13.879  4.8372  9.8645  4.2793  4.014473       6.458434 
1 1 1 -2  -27 35 o 27.665  2.8298  112.743   20.123    132.292   28.812    94.127    28.117    30.260  3.6271  25.070  4.3445  5.189972       5.659556 
1 1 1 -2  -27 36 o 11.040  3.1526  10.284    14.687    17.830    20.712    2.6523    20.829    12.068  4.6065  10.012  4.3053  2.056351       6.305181 
1 1 1 -2  -27 37 o 18.480  3.5593  55.108    18.094    56.358    25.739    53.887    25.442    18.688  5.0306  18.271  5.0366  0.4174786      7.118614 
1 1 1 -2  -27 38 o 23.307  3.3528  87.504    20.261    113.212   28.767    62.197    28.542    27.322  4.0539  19.292  5.3413  8.030369       6.705504 
1 1 1 -2  -27 39 o 14.252  3.5854  31.520    17.466    24.155    24.956    38.592    24.454    13.134  5.0461  15.370  5.0949  -2.235901      7.170882 
1 1 1 -2  -27 40 o 20.359  3.5361  69.895    19.839    46.903    27.934    93.294    28.181    16.523  5.4439  24.196  4.5143  -7.673376      7.072143 
1 1 1 -2  -27 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -27 42 o 12.106  3.3229  11.016    18.273    -21.2179  26.008    42.442    25.679    8.6406  4.1101  15.570  5.2225  -6.929823      6.645882 
1 1 1 -2  -27 43 o 10.209  3.1726  1.3627    17.730    16.963    23.815    -18.0370  26.557    11.583  4.7666  8.8357  4.1883  2.747607       6.345244 
1 1 1 -2  -27 44 o 8.0044  2.7285  -27.6997  17.968    -10.5573  24.013    -49.5070  27.084    8.7558  4.0980  7.2529  3.6035  1.502864       5.456992 
1 1 1 -2  -26 1  f 54.625  1.9858  403.946   28.983    422.291   41.337    386.207   40.649    55.891  2.7613  53.359  2.8545  2.531933       3.971507 
1 1 1 -2  -26 2  o 31.480  2.0605  135.544   17.116    125.140   24.420    145.590   23.997    30.251  3.0557  32.709  2.7650  -2.457653      4.120976 
1 1 1 -2  -26 3  o 47.359  1.9399  304.134   24.487    295.391   34.854    312.655   34.408    46.673  2.8010  48.046  2.6845  -1.372784      3.879721 
1 1 1 -2  -26 4  o 97.012  2.3812  1275.88   61.854    1321.26   88.216    1231.99   86.753    98.719  3.3362  95.304  3.3985  3.415131       4.762352 
1 1 1 -2  -26 5  o 78.475  2.1419  832.849   45.011    832.521   64.324    833.162   63.007    78.451  3.0612  78.498  2.9967  -0.4641724E-01 4.283795 
1 1 1 -2  -26 6  o 15.744  2.6216  34.639    11.099    47.633    16.198    23.135    15.240    18.467  3.4000  13.021  3.9914  5.445098       5.243249 
1 1 1 -2  -26 7  o 61.485  2.0088  510.404   33.078    509.346   47.134    511.431   46.431    61.417  2.8652  61.552  2.8163  -0.1341324     4.017588 
1 1 1 -2  -26 8  f 52.847  1.9659  377.981   27.721    369.469   39.324    386.390   39.084    52.246  2.8205  53.449  2.7393  -1.202217      3.931803 
1 1 1 -2  -26 9  o 95.541  2.3667  1235.51   60.543    1282.35   86.146    1189.79   85.107    97.344  3.3040  93.739  3.3896  3.604721       4.733492 
1 1 1 -2  -26 10 o 83.716  2.1989  947.423   49.270    992.962   69.917    902.501   69.441    85.731  3.0448  81.702  3.1732  4.028999       4.397704 
1 1 1 -2  -26 11 o 77.230  2.1390  805.704   44.246    813.148   62.516    798.231   62.631    77.592  3.0081  76.869  3.0419  0.7223434      4.278034 
1 1 1 -2  -26 12 o 45.311  1.9535  277.905   23.591    276.385   33.004    279.492   33.734    45.188  2.7398  45.434  2.7854  -0.2460861     3.907034 
1 1 1 -2  -26 13 o 100.777 2.3990  1374.94   64.755    1363.92   91.409    1386.05   91.746    100.369 3.4002  101.185 3.3852  -0.8159485     4.797981 
1 1 1 -2  -26 14 o 95.893  2.3258  1244.26   59.732    1221.69   84.204    1267.12   84.747    95.012  3.3087  96.775  3.2694  -1.762550      4.651560 
1 1 1 -2  -26 15 o 78.610  2.1232  834.984   44.698    839.769   62.788    830.068   63.647    78.845  2.9731  78.375  3.0319  0.4701538      4.246380 
1 1 1 -2  -26 16 o 126.711 2.7525  2183.20   93.415    2196.80   131.836   2169.49   132.384   127.117 3.8721  126.304 3.9132  0.8129578      5.505062 
1 1 1 -2  -26 17 o 60.940  1.9681  501.211   32.119    492.399   44.899    510.446   45.966    60.393  2.7757  61.487  2.7910  -1.094059      3.936256 
1 1 1 -2  -26 18 o 14.867  2.5107  27.164    12.686    -7.6535   17.888    62.396    17.994    8.5100  3.8103  21.223  3.2704  -12.71319      5.021378 
1 1 1 -2  -26 19 o 26.633  2.2528  97.416    15.751    96.203    22.244    98.636    22.307    26.461  3.2038  26.805  3.1682  -0.3443871     4.505693 
1 1 1 -2  -26 20 o 87.375  2.2291  1035.15   52.143    1064.64   73.418    1005.12   74.070    88.652  3.0919  86.099  3.2118  2.552353       4.458237 
1 1 1 -2  -26 21 o 109.239 2.5233  1623.99   73.829    1607.40   104.102   1640.79   104.722   108.673 3.5764  109.804 3.5607  -1.130745      5.046683 
1 1 1 -2  -26 22 f 29.413  2.1674  118.552   16.825    118.721   23.746    118.382   23.842    29.436  3.0563  29.390  3.0741  0.4604912E-01  4.334866 
1 1 1 -2  -26 23 f 42.208  1.9711  242.268   22.153    235.023   31.225    249.610   31.434    41.562  2.8216  42.854  2.7532  -1.291775      3.942267 
1 1 1 -2  -26 24 o 45.832  1.9819  285.802   24.182    303.681   34.377    268.290   34.023    47.275  2.7264  44.389  2.8771  2.886337       3.963701 
1 1 1 -2  -26 25 o 61.908  2.0218  520.109   33.491    551.733   47.704    489.373   47.030    63.783  2.7923  60.034  2.9248  3.749031       4.043686 
1 1 1 -2  -26 26 o 72.354  2.1258  712.017   41.188    734.012   58.559    690.480   57.944    73.472  2.9757  71.237  3.0368  2.234306       4.251666 
1 1 1 -2  -26 27 o 43.657  2.0536  260.298   23.872    262.261   34.156    258.422   33.377    43.812  2.9275  43.502  2.8808  0.3095245      4.107256 
1 1 1 -2  -26 28 o 13.106  3.0696  20.192    13.367    35.853    19.834    7.1604    18.093    15.823  4.4781  10.390  4.1997  5.433238       6.139293 
1 1 1 -2  -26 29 o 80.543  2.2155  887.278   47.790    904.515   68.165    870.615   67.022    81.314  3.1297  79.772  3.1367  1.542061       4.431048 
1 1 1 -2  -26 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -26 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -26 32 o 37.450  2.2469  194.908   22.294    191.154   32.161    198.381   30.932    37.060  3.2736  37.840  3.0785  -0.7802200     4.493770 
1 1 1 -2  -26 33 o 30.011  2.5900  129.643   19.867    103.088   28.559    154.542   27.654    26.733  4.1209  33.289  3.1386  -6.555986      5.180037 
1 1 1 -2  -26 34 f 25.223  2.8611  92.573    18.615    87.160    26.857    97.579    25.826    24.393  4.2659  26.053  3.8139  -1.659798      5.722230 
1 1 1 -2  -26 35 o 17.477  3.3457  46.181    16.432    59.400    23.469    33.470    23.013    19.862  4.5139  15.092  4.9397  4.770006       6.691472 
1 1 1 -2  -26 36 o 11.104  3.1340  7.3797    15.149    -8.8507   21.427    23.600    21.421    9.0151  4.0911  13.193  4.7489  -4.177482      6.268080 
1 1 1 -2  -26 37 o 10.807  3.2272  5.4943    16.213    -1.1913   22.872    12.246    22.985    10.013  4.4050  11.600  4.7175  -1.587184      6.454348 
1 1 1 -2  -26 38 o 19.272  3.5649  59.806    18.611    61.158    26.538    58.497    26.108    19.487  5.0448  19.057  5.0382  0.4302502      7.129779 
1 1 1 -2  -26 39 o 19.706  3.4989  63.299    18.532    70.568    25.984    55.774    26.439    21.029  4.7281  18.383  5.1590  2.646172       6.997876 
1 1 1 -2  -26 40 o 16.378  3.6273  43.842    18.398    28.990    25.717    59.413    26.332    13.875  5.1684  18.881  5.0908  -5.005964      7.254540 
1 1 1 -2  -26 41 o 11.490  3.4644  9.5073    18.972    2.1339    26.969    16.731    26.693    10.744  4.7523  12.236  5.0421  -1.492016      6.928723 
1 1 1 -2  -26 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -26 43 o 16.595  3.8564  49.905    20.025    56.309    27.819    43.018    28.847    17.674  5.3881  15.517  5.5188  2.157315       7.712883 
1 1 1 -2  -26 44 o 9.6731  3.1385  -6.3858   18.860    4.1347    25.225    -19.7231  28.402    10.323  4.5795  9.0232  4.2930  1.299767       6.277097 
1 1 1 -2  -26 45 f 14.325  3.9146  40.024    21.319    39.215    29.566    40.900    30.771    14.234  5.4862  14.417  5.5856  -0.1829786     7.829236 
1 1 1 -2  -25 1  o 58.397  1.9778  460.447   30.924    451.636   44.027    469.026   43.445    57.838  2.8420  58.956  2.7512  -1.117889      3.955513 
1 1 1 -2  -25 2  o 29.115  2.0595  115.547   15.695    135.532   22.681    97.185    21.740    31.589  2.7068  26.642  3.1048  4.947376       4.119032 
1 1 1 -2  -25 3  o 90.750  2.2995  1113.42   55.888    1110.49   79.609    1116.27   78.479    90.625  3.2796  90.875  3.2242  -0.2497253     4.599073 
1 1 1 -2  -25 4  o 89.299  2.2672  1077.00   54.219    1102.25   77.282    1052.52   76.087    90.332  3.1941  88.265  3.2183  2.066887       4.534322 
1 1 1 -2  -25 5  o 121.760 2.7036  2008.59   88.169    2035.11   125.505   1982.75   123.890   122.553 3.8234  120.966 3.8237  1.587013       5.407295 
1 1 1 -2  -25 6  o 12.634  2.7694  21.161    10.393    25.948    15.337    17.097    14.132    13.692  3.9582  11.577  3.8743  2.115040       5.538738 
1 1 1 -2  -25 7  o 52.401  1.9149  370.445   26.806    356.668   38.008    384.080   37.813    51.387  2.7717  53.415  2.6429  -2.027966      3.829800 
1 1 1 -2  -25 8  o 84.287  2.2110  958.099   49.915    957.187   70.862    958.997   70.321    84.244  3.1404  84.329  3.1133  -0.8472443E-01 4.422050 
1 1 1 -2  -25 9  o 74.289  2.1019  743.667   41.823    751.772   59.226    735.605   59.068    74.695  2.9603  73.883  2.9848  0.8112717      4.203853 
1 1 1 -2  -25 10 o 78.218  2.1245  824.455   44.504    841.218   63.039    807.797   62.839    79.015  2.9786  77.421  3.0303  1.593681       4.249046 
1 1 1 -2  -25 11 o 15.081  2.7446  31.524    11.891    15.490    16.773    47.728    16.861    11.665  4.2019  18.498  3.5320  -6.832977      5.489124 
1 1 1 -2  -25 12 o 37.324  1.9995  188.515   19.728    163.844   27.369    215.198   28.464    34.748  2.9691  39.900  2.6789  -5.151207      3.999009 
1 1 1 -2  -25 13 o 106.382 2.4499  1528.15   69.807    1529.23   98.551    1527.06   98.895    106.421 3.4574  106.342 3.4720  0.7891083E-01  4.899792 
1 1 1 -2  -25 14 f 12.929  2.9451  21.601    11.700    27.244    17.080    16.611    16.060    14.092  4.2054  11.765  4.1242  2.326818       5.890191 
1 1 1 -2  -25 15 o 26.443  2.2844  97.233    15.500    114.446   21.525    78.692    22.340    29.018  2.8043  23.869  3.6068  5.149202       4.568713 
1 1 1 -2  -25 16 o 86.545  2.2007  1010.50   51.005    1020.65   71.642    1000.08   72.631    86.993  3.0747  86.097  3.1495  0.8957596      4.401471 
1 1 1 -2  -25 17 o 74.744  2.0655  753.628   41.326    772.688   57.944    733.897   58.955    75.717  2.8571  73.771  2.9836  1.946167       4.131000 
1 1 1 -2  -25 18 o 48.955  1.9084  323.710   24.922    316.346   34.837    331.431   35.669    48.383  2.6989  49.527  2.6990  -1.143585      3.816880 
1 1 1 -2  -25 19 o 54.464  1.9340  400.670   28.139    414.151   39.545    386.842   40.050    55.438  2.6631  53.490  2.8052  1.948807       3.867984 
1 1 1 -2  -25 20 o 12.854  2.8544  21.323    11.403    30.970    16.312    12.105    15.947    14.847  4.0082  10.860  4.0650  3.987769       5.708771 
1 1 1 -2  -25 21 o 39.117  1.9486  207.476   20.285    207.353   28.534    207.601   28.843    39.108  2.7413  39.126  2.7702  -0.1834106E-01 3.897256 
1 1 1 -2  -25 22 o 84.839  2.1985  974.188   49.948    998.402   70.609    949.935   70.664    85.906  3.0686  83.773  3.1493  2.133522       4.397088 
1 1 1 -2  -25 23 o 22.045  2.5022  67.548    14.207    77.369    20.527    58.516    19.684    23.660  3.3314  20.431  3.7345  3.228039       5.004449 
1 1 1 -2  -25 24 o 27.225  2.2558  101.748   16.112    109.081   23.184    94.897    22.408    28.199  3.1218  26.250  3.2570  1.949026       4.511527 
1 1 1 -2  -25 25 o 28.862  2.1880  114.611   16.589    106.757   23.788    122.047   23.146    27.851  3.2499  29.873  2.9304  -2.022202      4.375945 
1 1 1 -2  -25 26 o 28.137  2.2724  110.074   16.609    97.661    24.314    120.931   22.741    26.545  3.5055  29.729  2.8925  -3.184462      4.544764 
1 1 1 -2  -25 27 o 30.602  2.1992  129.067   17.699    120.966   25.588    136.498   24.507    29.626  3.2796  31.577  2.9310  -1.950710      4.398474 
1 1 1 -2  -25 28 o 30.266  2.2406  126.695   17.576    154.055   25.239    100.931   24.491    33.568  2.8335  26.964  3.4717  6.604452       4.481224 
1 1 1 -2  -25 29 o 33.843  2.1856  156.703   19.537    173.261   28.619    142.254   26.735    35.538  3.0357  32.148  3.1451  3.390030       4.371141 
1 1 1 -2  -25 30 o 66.792  2.1161  608.256   37.847    617.903   54.274    599.125   52.805    67.300  3.0109  66.284  2.9742  1.015778       4.232193 
1 1 1 -2  -25 31 o 64.522  2.1194  569.150   36.603    561.760   52.526    576.127   51.036    64.088  3.0599  64.957  2.9334  -0.8691559     4.238817 
1 1 1 -2  -25 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -25 33 o 20.055  3.2972  50.470    19.021    108.719   31.183    15.952    24.004    27.464  4.3865  12.646  4.9239  14.81859       6.594451 
1 1 1 -2  -25 34 o 29.252  2.7424  123.982   19.919    167.465   28.612    83.086    27.748    34.696  3.1118  23.807  4.5167  10.88922       5.484854 
1 1 1 -2  -25 35 o 33.727  2.5013  162.047   21.847    130.769   30.800    193.719   30.994    30.207  3.8977  37.246  3.1359  -7.038498      5.002594 
1 1 1 -2  -25 36 o 15.576  3.2850  33.488    16.348    57.604    23.646    11.401    22.628    19.540  4.5951  11.612  4.6957  7.927155       6.569984 
1 1 1 -2  -25 37 o 38.637  2.4028  212.585   24.587    205.826   35.105    219.094   34.448    37.968  3.4910  39.306  3.3026  -1.338451      4.805676 
1 1 1 -2  -25 38 o 43.298  2.3924  268.496   27.479    265.353   39.830    271.350   37.960    42.966  3.4911  43.631  3.2720  -0.6645432     4.784775 
1 1 1 -2  -25 39 o 22.200  3.4006  77.801    19.627    76.620    28.249    78.903    27.289    21.951  4.9257  22.448  4.6898  -0.4964657     6.801242 
1 1 1 -2  -25 40 o 16.892  3.8106  47.132    19.600    55.401    28.207    39.413    27.254    18.173  5.4000  15.612  5.3781  2.561604       7.621274 
1 1 1 -2  -25 41 o 36.854  2.7069  204.307   26.246    221.203   37.319    187.769   36.920    38.543  3.6587  35.165  3.9904  3.377583       5.413871 
1 1 1 -2  -25 42 o 18.519  3.8216  59.546    20.223    53.249    28.435    65.991    28.767    17.477  5.4679  19.561  5.3405  -2.084633      7.643201 
1 1 1 -2  -25 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -25 44 o 12.648  3.4990  18.119    19.373    42.899    26.829    -8.8788   28.004    15.510  5.3364  9.7853  4.5271  5.724475       6.997992 
1 1 1 -2  -25 45 o 14.006  3.6972  33.204    20.364    51.978    27.528    10.511    30.264    16.566  5.4015  11.446  5.0499  5.120477       7.394455 
1 1 1 -2  -25 46 o 19.451  4.1733  79.803    23.902    66.607    32.858    94.634    34.834    17.549  5.9074  21.353  5.8963  -3.804094      8.346504 
1 1 1 -2  -24 1  o 58.855  1.9526  466.509   30.778    469.005   43.920    464.102   43.144    59.008  2.7788  58.703  2.7439  0.3050537      3.905274 
1 1 1 -2  -24 2  o 84.879  2.2265  971.287   50.613    991.461   72.102    951.690   71.064    85.750  3.1392  84.009  3.1582  1.740898       4.452962 
1 1 1 -2  -24 3  o 44.064  1.9347  262.629   22.684    247.695   32.238    277.275   31.926    42.804  2.8278  45.324  2.6412  -2.519863      3.869423 
1 1 1 -2  -24 4  o 81.481  2.1760  894.034   47.472    929.459   67.628    859.622   66.654    83.077  3.0392  79.884  3.1151  3.193222       4.352100 
1 1 1 -2  -24 5  o 74.876  2.1169  754.906   42.440    738.578   60.341    770.891   59.703    74.068  3.0415  75.683  2.9451  -1.615280      4.233748 
1 1 1 -2  -24 6  o 163.976 3.3512  3644.59   147.147   3762.16   209.073   3529.20   207.136   166.619 4.6847  161.333 4.7934  5.285553       6.702485 
1 1 1 -2  -24 7  o 89.769  2.2677  1085.04   54.522    1081.28   77.537    1088.72   76.680    89.611  3.2304  89.926  3.1835  -0.3144989     4.535471 
1 1 1 -2  -24 8  o 75.159  2.1210  759.943   42.698    764.787   60.550    755.152   60.218    75.398  2.9983  74.921  3.0008  0.4767609      4.241961 
1 1 1 -2  -24 9  o 141.146 2.9800  2691.49   112.639   2759.95   159.764   2623.82   158.831   142.942 4.1728  139.349 4.2554  3.593430       5.959942 
1 1 1 -2  -24 10 o 87.620  2.2333  1033.51   52.385    1073.28   74.119    993.819   74.048    89.313  3.0983  85.927  3.2173  3.385330       4.466614 
1 1 1 -2  -24 11 o 112.317 2.5249  1699.98   75.948    1665.14   107.222   1735.06   107.593   111.156 3.6013  113.478 3.5399  -2.321693      5.049748 
1 1 1 -2  -24 12 o 111.595 2.5276  1678.23   75.540    1641.12   106.563   1715.71   107.099   110.349 3.6054  112.841 3.5435  -2.492081      5.055171 
1 1 1 -2  -24 13 o 34.640  2.0538  163.059   18.803    175.969   26.299    149.560   26.894    36.078  2.7420  33.202  3.0584  2.875935       4.107653 
1 1 1 -2  -24 14 o 51.375  1.9406  356.385   26.562    369.876   37.005    342.047   38.150    52.394  2.6454  50.356  2.8401  2.038631       3.881261 
1 1 1 -2  -24 15 o 70.256  2.0254  664.633   38.068    690.641   53.320    637.594   54.367    71.668  2.7777  68.843  2.9484  2.824768       4.050736 
1 1 1 -2  -24 16 o 42.901  1.9320  248.226   22.073    240.504   30.615    256.586   31.855    42.206  2.7227  43.597  2.7419  -1.391479      3.864041 
1 1 1 -2  -24 17 o 35.297  2.0005  168.749   18.735    159.822   26.427    177.769   26.563    34.343  2.9001  36.252  2.7563  -1.909012      4.000966 
1 1 1 -2  -24 18 o 91.614  2.2538  1130.81   55.303    1116.64   77.757    1145.32   78.671    91.033  3.1890  92.195  3.1858  -1.162270      4.507653 
1 1 1 -2  -24 19 o 39.904  1.9355  216.606   20.396    244.079   28.629    188.288   29.065    42.530  2.5245  37.279  2.9346  5.250782       3.871029 
1 1 1 -2  -24 20 o 74.056  2.0537  738.852   40.731    750.024   57.501    727.602   57.704    74.622  2.8769  73.490  2.9315  1.131950       4.107325 
1 1 1 -2  -24 21 o 61.232  1.9409  505.022   31.830    511.266   44.922    498.726   45.106    61.615  2.7220  60.848  2.7676  0.7660408      3.881838 
1 1 1 -2  -24 22 o 39.730  1.9347  213.887   20.427    228.144   28.929    199.711   28.847    41.072  2.6437  38.388  2.8254  2.683731       3.869391 
1 1 1 -2  -24 23 o 20.139  2.6768  56.739    13.901    57.425    20.042    56.103    19.298    20.249  3.8357  20.028  3.7346  0.2207012      5.353524 
1 1 1 -2  -24 24 o 95.100  2.3491  1224.64   59.836    1238.61   85.004    1210.91   84.242    95.639  3.3183  94.561  3.3260  1.077583       4.698234 
1 1 1 -2  -24 25 o 10.864  2.5922  8.5037    11.139    -13.9455  16.104    29.098    15.424    7.3475  3.4112  14.381  3.9041  -7.033853      5.184372 
1 1 1 -2  -24 26 o 41.023  1.9616  228.394   21.417    233.116   30.872    224.013   29.735    41.428  2.7986  40.618  2.7494  0.8106575      3.923160 
1 1 1 -2  -24 27 o 7.2922  2.3700  -11.0132  10.574    -9.0316   15.507    -12.7352  14.456    7.6488  3.4746  6.9356  3.2239  0.7132578      4.739913 
1 1 1 -2  -24 28 o 40.024  2.0189  218.066   21.471    221.479   31.308    215.036   29.502    40.306  2.9197  39.743  2.7891  0.5626183      4.037791 
1 1 1 -2  -24 29 o 69.550  2.0886  657.074   38.894    660.811   55.817    653.547   54.227    69.731  2.9885  69.370  2.9185  0.3609238      4.177154 
1 1 1 -2  -24 30 o 14.109  2.9934  25.166    13.820    4.7118    19.547    45.607    19.541    10.382  4.2998  17.835  4.1658  -7.452850      5.986824 
1 1 1 -2  -24 31 o 68.339  2.1354  637.619   39.030    609.080   55.806    664.945   54.608    66.800  3.1190  69.879  2.9176  -3.078613      4.270874 
1 1 1 -2  -24 32 o 21.713  3.0095  67.659    16.876    68.824    23.965    66.513    23.769    21.908  4.2373  21.518  4.2748  0.3901978      6.019023 
1 1 1 -2  -24 33 o 64.353  2.1886  568.791   37.619    545.999   53.590    590.935   52.821    62.999  3.1862  65.707  3.0013  -2.707733      4.377168 
1 1 1 -2  -24 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -24 35 f 37.198  2.3950  195.424   23.190    159.478   33.023    230.398   32.574    33.597  3.7328  40.799  3.0018  -7.201851      4.790045 
1 1 1 -2  -24 36 o 21.424  3.3068  68.839    18.459    60.954    26.535    76.233    25.694    20.085  4.9615  22.764  4.3730  -2.679363      6.613575 
1 1 1 -2  -24 37 o 16.165  3.5426  39.043    17.042    45.418    24.344    32.917    23.866    17.273  4.9849  15.056  5.0348  2.217055       7.085130 
1 1 1 -2  -24 38 o 14.172  3.2165  22.951    16.726    -6.9990   23.494    53.734    23.818    9.6510  4.3405  18.692  4.7481  -9.041036      6.433078 
1 1 1 -2  -24 39 o 46.803  2.3795  313.064   29.602    331.731   42.415    295.337   41.332    48.221  3.3038  45.385  3.4253  2.835941       4.758945 
1 1 1 -2  -24 40 f 16.704  3.5300  44.478    17.650    58.469    24.851    30.237    25.072    19.145  4.8427  14.264  5.1374  4.881338       7.060073 
1 1 1 -2  -24 41 o 17.719  3.7722  52.594    19.515    59.198    27.406    45.801    27.793    18.850  5.2393  16.587  5.4285  2.262609       7.544460 
1 1 1 -2  -24 42 o 24.191  3.5009  95.731    22.378    53.460    30.309    146.385   33.179    17.512  5.6650  30.871  4.1151  -13.35909      7.001869 
1 1 1 -2  -24 43 o 14.198  3.7830  31.149    19.912    21.932    28.017    40.555    28.304    12.937  5.2272  15.460  5.4700  -2.522943      7.565966 
1 1 1 -2  -24 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -24 45 o 29.216  3.4296  145.475   25.283    179.003   35.565    111.218   35.949    33.653  4.0255  24.780  5.5538  8.873234       6.859254 
1 1 1 -2  -24 46 o 12.677  3.7230  24.502    20.905    29.490    29.380    19.388    29.753    13.217  5.3484  12.137  5.1803  1.079588       7.445920 
1 1 1 -2  -23 1  o 93.292  2.3414  1172.33   58.503    1170.23   83.261    1174.38   82.220    93.206  3.3351  93.379  3.2873  -0.1728973     4.682889 
1 1 1 -2  -23 2  o 71.317  2.0762  684.520   39.629    659.754   56.401    708.668   55.694    70.035  3.0067  72.599  2.8641  -2.564407      4.152473 
1 1 1 -2  -23 3  o 148.425 3.1232  2976.57   124.150   2948.85   176.295   3003.84   174.863   147.728 4.4554  149.122 4.3779  -1.393951      6.246352 
1 1 1 -2  -23 4  o 47.795  1.9214  307.915   24.493    304.306   34.788    311.462   34.491    47.513  2.7452  48.077  2.6892  -0.5634613     3.842894 
1 1 1 -2  -23 5  o 137.126 2.9057  2535.12   106.715   2575.32   151.633   2495.67   150.213   138.206 4.0962  136.046 4.1222  2.159683       5.811312 
1 1 1 -2  -23 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 18 o 83.779  2.1578  943.750   48.415    926.588   67.987    961.409   68.963    83.005  3.0580  84.552  3.0451  -1.546753      4.315531 
1 1 1 -2  -23 19 o 47.858  1.9152  309.126   24.344    274.206   34.098    345.430   34.767    45.073  2.8388  50.642  2.5716  -5.568153      3.830388 
1 1 1 -2  -23 20 o 55.358  1.9370  412.807   28.645    430.541   40.430    394.929   40.592    56.595  2.6671  54.121  2.8099  2.474026       3.874084 
1 1 1 -2  -23 21 o 27.528  2.1325  103.267   15.455    105.184   21.622    101.264   22.100    27.803  2.9486  27.253  3.0816  0.5492363      4.265021 
1 1 1 -2  -23 22 o 31.152  2.0941  131.814   17.256    132.832   24.794    130.856   24.032    31.265  2.9974  31.040  2.9251  0.2246952      4.188165 
1 1 1 -2  -23 23 o 72.057  2.0346  699.439   39.264    692.850   55.778    705.911   55.279    71.717  2.9037  72.398  2.8507  -0.6804428     4.069139 
1 1 1 -2  -23 24 o 61.124  1.9789  503.977   32.362    485.492   46.281    521.662   45.268    60.016  2.8791  62.233  2.7157  -2.217491      3.957787 
1 1 1 -2  -23 25 o 33.597  2.0675  153.704   18.364    149.129   26.754    157.778   25.252    33.097  3.0524  34.096  2.7895  -0.9984055     4.134979 
1 1 1 -2  -23 26 o 37.612  2.0111  191.810   20.095    197.932   29.132    186.254   27.754    38.182  2.8695  37.042  2.8185  1.140865       4.022203 
1 1 1 -2  -23 27 o 83.578  2.1836  945.038   48.865    980.776   69.951    910.977   68.289    85.126  3.0679  82.030  3.1081  3.096336       4.367169 
1 1 1 -2  -23 28 o 45.250  1.9761  278.018   23.803    276.941   34.501    278.997   32.881    45.150  2.8678  45.350  2.7195  -0.2003098     3.952188 
1 1 1 -2  -23 29 o 31.842  2.1727  138.755   18.295    143.136   26.224    134.602   25.535    32.337  3.0643  31.346  3.0811  0.9909229      4.345428 
1 1 1 -2  -23 30 o 42.010  2.0687  241.465   23.040    228.781   33.494    252.857   31.743    40.914  3.0789  43.106  2.7638  -2.191811      4.137483 
1 1 1 -2  -23 31 o 22.764  2.7512  73.040    16.169    74.613    23.146    71.541    22.598    23.008  3.8949  22.521  3.8867  0.4866257      5.502398 
1 1 1 -2  -23 32 o 60.138  2.1006  493.535   33.742    482.810   48.463    503.625   47.006    59.437  3.0545  60.838  2.8846  -1.400848      4.201295 
1 1 1 -2  -23 33 o 93.373  2.4201  1196.78   60.522    1220.47   86.007    1173.54   85.179    94.300  3.4051  92.446  3.4400  1.853691       4.840291 
1 1 1 -2  -23 34 f 22.407  3.1276  73.665    18.023    59.071    26.140    86.892    24.884    20.051  4.9071  24.763  3.8791  -4.712343      6.255135 
1 1 1 -2  -23 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -23 36 f 35.997  2.4524  181.587   23.330    181.022   33.683    182.108   32.345    35.906  3.5488  36.088  3.3859  -0.1821251     4.904882 
1 1 1 -2  -23 37 o 33.789  2.5145  161.182   22.374    174.201   32.286    149.154   31.034    35.151  3.4746  32.426  3.6357  2.724449       5.029052 
1 1 1 -2  -23 38 o 16.021  3.4597  37.481    17.231    54.811    24.322    20.022    24.413    18.979  4.7856  13.063  4.9976  5.915987       6.919365 
1 1 1 -2  -23 39 o 44.125  2.4378  277.474   28.573    271.065   40.497    283.829   40.321    43.575  3.4993  44.674  3.3950  -1.099213      4.875557 
1 1 1 -2  -23 40 o 23.860  3.2740  87.596    20.165    89.174    28.872    86.094    28.177    24.064  4.6477  23.657  4.6126  0.4068260      6.548025 
1 1 1 -2  -23 41 o 20.876  3.0537  69.528    19.567    8.6174    27.458    132.378   27.891    11.692  4.9831  30.061  3.5313  -18.36863      6.107456 
1 1 1 -2  -23 42 o 22.567  3.5453  84.085    21.764    47.581    30.073    124.228   31.537    16.756  5.6515  28.379  4.2822  -11.62214      7.090574 
1 1 1 -2  -23 43 o 13.400  3.6297  26.167    18.216    24.930    25.278    27.503    26.274    13.188  5.0757  13.611  5.1900  -0.4229450     7.259362 
1 1 1 -2  -23 44 o 25.483  3.5575  110.005   23.335    138.043   32.744    81.072    33.263    29.674  4.2404  21.292  5.7135  8.381475       7.115100 
1 1 1 -2  -23 45 o 8.7631  2.9691  -26.1292  19.981    -20.4261  26.935    -33.1074  29.794    8.8638  4.2064  8.6625  4.1915  0.2012901      5.938220 
1 1 1 -2  -23 46 o 20.860  3.8705  81.460    24.173    42.798    33.392    124.033   35.040    15.085  5.8259  26.635  5.0972  -11.55008      7.740952 
1 1 1 -2  -23 47 o 15.089  3.6018  32.264    21.791    -12.3161  29.557    85.345    32.252    9.4575  4.4637  20.720  5.6539  -11.26288      7.203510 
1 1 1 -2  -22 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -22 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -22 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -22 4  o 178.377 3.5852  4294.49   171.292   4305.54   243.031   4283.58   241.463   178.602 5.0802  178.152 5.0602  0.4506226      7.170427 
1 1 1 -2  -22 5  o 59.894  1.9816  481.548   31.788    476.017   45.008    487.053   44.902    59.550  2.8217  60.238  2.7829  -0.6882019     3.963191 
1 1 1 -2  -22 6  o 75.464  2.0708  764.409   41.855    774.378   59.502    754.646   58.887    75.951  2.9249  74.977  2.9323  0.9743500      4.141643 
1 1 1 -2  -22 7  o 119.925 2.6246  1933.28   84.278    1998.66   119.613   1868.82   118.766   121.944 3.6621  117.905 3.7607  4.038994       5.249177 
1 1 1 -2  -22 8  o 132.377 2.8225  2356.74   100.060   2410.04   141.797   2303.88   141.218   133.873 3.9544  130.881 4.0283  2.991806       5.644905 
1 1 1 -2  -22 9  o 201.349 3.9551  5473.54   213.302   5500.90   301.851   5446.26   301.460   201.854 5.5830  200.843 5.6038  1.010971       7.910267 
1 1 1 -2  -22 10 o 167.245 3.3785  3768.35   151.329   3700.84   213.916   3835.99   214.108   165.737 4.8187  168.753 4.7369  -3.015991      6.757088 
1 1 1 -2  -22 11 o 115.888 2.5654  1804.78   79.610    1750.53   112.194   1859.79   112.981   114.129 3.6702  117.646 3.5854  -3.517181      5.130808 
1 1 1 -2  -22 12 o 160.558 3.2568  3471.61   140.058   3446.87   197.713   3496.54   198.432   159.982 4.6140  161.133 4.5977  -1.151581      6.513615 
1 1 1 -2  -22 13 o 119.993 2.6036  1935.18   83.677    1912.41   117.820   1958.35   118.861   119.281 3.6877  120.706 3.6764  -1.425728      5.207223 
1 1 1 -2  -22 14 o 144.786 3.0054  2821.39   116.549   2813.83   164.386   2829.03   165.267   144.592 4.2445  144.980 4.2559  -0.3880768     6.010715 
1 1 1 -2  -22 15 o 88.410  2.1726  1049.73   51.438    1055.99   72.156    1043.26   73.348    88.681  3.0378  88.139  3.1069  0.5413666      4.345210 
1 1 1 -2  -22 16 o 126.869 2.6995  2165.16   91.726    2185.53   129.351   2144.55   130.092   127.473 3.7885  126.264 3.8466  1.209145       5.398980 
1 1 1 -2  -22 17 o 99.038  2.3312  1318.04   61.838    1307.63   87.032    1328.65   87.879    98.644  3.2940  99.433  3.2996  -0.7889633     4.662414 
1 1 1 -2  -22 18 o 144.990 3.0039  2832.73   116.649   2861.61   164.643   2803.63   165.291   145.738 4.2178  144.241 4.2783  1.496536       6.007769 
1 1 1 -2  -22 19 o 23.702  2.4880  77.321    15.288    72.866    21.757    81.666    21.486    22.990  3.6556  24.415  3.3760  -1.424944      4.975992 
1 1 1 -2  -22 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -22 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -22 22 f 83.825  2.1569  945.203   48.420    968.549   68.747    922.222   68.209    84.856  3.0247  82.795  3.0757  2.060394       4.313817 
1 1 1 -2  -22 23 o 26.626  2.3198  96.833    16.063    112.187   23.229    82.766    22.235    28.710  3.0683  24.541  3.4801  4.168335       4.639594 
1 1 1 -2  -22 24 o 60.708  1.9782  495.405   32.142    523.723   46.194    468.828   44.752    62.391  2.7642  59.025  2.8307  3.366871       3.956484 
1 1 1 -2  -22 25 o 99.343  2.4026  1332.37   63.917    1317.60   91.052    1346.73   89.746    98.790  3.4410  99.896  3.3541  -1.106056      4.805278 
1 1 1 -2  -22 26 o 54.033  1.9340  394.122   27.891    400.737   40.031    387.881   38.882    54.472  2.7526  53.595  2.7175  0.8773422      3.867991 
1 1 1 -2  -22 27 o 83.095  2.1892  932.155   48.710    957.357   69.924    908.396   67.893    84.184  3.1010  82.006  3.0909  2.178642       4.378377 
1 1 1 -2  -22 28 o 37.530  2.0653  190.856   20.555    208.145   29.925    175.413   28.282    39.153  2.8736  35.907  2.9672  3.245144       4.130648 
1 1 1 -2  -22 29 o 29.049  2.2682  115.998   17.302    110.938   25.017    120.638   23.955    28.402  3.3532  29.696  3.0553  -1.294352      4.536371 
1 1 1 -2  -22 30 o 23.389  2.6234  76.148    15.779    89.508    22.981    64.230    21.705    25.422  3.4652  21.355  3.9397  4.066967       5.246785 
1 1 1 -2  -22 31 o 47.864  2.0508  311.974   26.149    309.945   37.632    313.869   36.362    47.697  2.9603  48.032  2.8390  -0.3345184     4.101589 
1 1 1 -2  -22 32 f 46.716  2.1179  298.112   26.341    292.533   37.742    303.410   36.779    46.268  3.0628  47.164  2.9258  -0.8965607     4.235745 
1 1 1 -2  -22 33 o 79.182  2.2801  856.226   48.353    861.534   68.955    851.091   67.821    79.415  3.2417  78.948  3.2072  0.4663544      4.560172 
1 1 1 -2  -22 34 o 51.864  2.1703  368.205   29.969    396.548   43.145    341.780   41.659    53.821  3.0049  49.907  3.1323  3.913982       4.340622 
1 1 1 -2  -22 35 f 17.247  2.7275  36.313    16.390    -14.8306  22.787    91.138    23.593    9.0133  4.1387  25.480  3.5537  -16.46674      5.455053 
1 1 1 -2  -22 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -22 37 o 13.331  3.1964  19.749    15.625    41.343    21.686    -3.5629   22.532    16.727  4.6646  9.9359  4.3716  6.791104       6.392890 
1 1 1 -2  -22 38 o 51.958  2.3409  377.589   32.403    382.644   46.350    372.756   45.317    52.288  3.3267  51.628  3.2943  0.6607742      4.681831 
1 1 1 -2  -22 39 o 21.472  3.1795  70.986    19.700    18.274    27.460    126.885   28.278    13.186  5.2262  29.757  3.6226  -16.57154      6.358973 
1 1 1 -2  -22 40 o 11.379  3.3247  9.5893    16.480    8.1618    23.077    11.075    23.543    11.159  4.6508  11.600  4.7523  -0.4404736     6.649387 
1 1 1 -2  -22 41 o 27.659  3.1065  116.696   22.028    99.271    31.224    133.962   31.082    25.260  4.7902  30.058  3.9568  -4.797529      6.213056 
1 1 1 -2  -22 42 o 30.523  2.9912  141.857   23.793    138.553   33.475    145.231   33.825    30.129  4.2674  30.917  4.1928  -0.7883034     5.982438 
1 1 1 -2  -22 43 o 10.973  3.2983  -6.7218   18.624    -33.7424  24.515    30.158    28.640    7.7566  3.7649  14.189  5.4166  -6.432344      6.596533 
1 1 1 -2  -22 44 o 30.301  3.3214  147.533   26.024    137.962   36.830    157.077   36.778    29.092  4.9007  31.509  4.4843  -2.417406      6.642703 
1 1 1 -2  -22 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -22 46 o 19.293  4.0804  70.212    22.850    61.749    31.862    79.173    32.787    18.006  5.8065  20.580  5.7343  -2.574127      8.160781 
1 1 1 -2  -22 47 o 12.696  3.5988  21.757    19.891    1.5485    27.769    43.051    28.505    10.343  4.6791  15.048  5.4690  -4.704181      7.197515 
1 1 1 -2  -22 48 o 17.364  4.2868  68.658    24.645    60.079    34.141    77.992    35.612    16.264  5.9740  18.464  6.1497  -2.200193      8.573624 
1 1 1 -2  -21 1  o 37.169  1.9084  186.739   18.820    173.171   26.758    200.020   26.474    35.812  2.8122  38.526  2.5805  -2.714451      3.816735 
1 1 1 -2  -21 2  o 111.668 2.5439  1675.36   76.084    1675.91   108.151   1674.82   107.056   111.685 3.6153  111.652 3.5798  0.3261566E-01  5.087764 
1 1 1 -2  -21 3  o 123.478 2.7230  2049.69   90.030    2002.61   127.826   2096.02   126.824   122.065 3.9097  124.892 3.7912  -2.827675      5.445972 
1 1 1 -2  -21 4  o 132.834 2.8079  2371.43   99.903    2380.50   141.890   2362.50   140.685   133.085 3.9805  132.583 3.9616  0.5018158      5.615898 
1 1 1 -2  -21 5  o 212.673 4.1011  6101.87   233.609   6172.02   331.119   6032.34   329.632   213.895 5.7795  211.450 5.8201  2.445175       8.202242 
1 1 1 -2  -21 6  o 169.641 3.4098  3873.43   154.900   3980.07   219.686   3767.99   218.442   171.973 4.7693  167.310 4.8744  4.662842       6.819556 
1 1 1 -2  -21 7  o 213.063 4.1152  6124.59   234.723   6372.79   332.631   5878.42   331.268   217.391 5.7126  208.735 5.9251  8.656525       8.230448 
1 1 1 -2  -21 8  o 128.807 2.7617  2229.09   95.280    2240.19   134.835   2218.02   134.658   129.128 3.8985  128.486 3.9128  0.6418152      5.523395 
1 1 1 -2  -21 9  o 215.034 4.1866  6239.44   241.044   6440.48   341.070   6038.83   340.707   218.520 5.8273  211.548 6.0129  6.972031       8.373281 
1 1 1 -2  -21 10 o 93.501  2.2527  1173.24   56.413    1165.66   79.292    1181.01   80.276    93.196  3.1765  93.806  3.1950  -0.6102753     4.505305 
1 1 1 -2  -21 11 o 49.428  1.8958  328.530   24.993    324.920   34.715    332.415   36.010    49.148  2.6468  49.708  2.7149  -0.5597801     3.791623 
1 1 1 -2  -21 12 o 20.771  2.7321  62.531    14.374    87.935    20.083    35.843    20.583    25.423  3.0074  16.119  4.5620  9.304623       5.464111 
1 1 1 -2  -21 13 o 176.744 3.4774  4205.65   164.622   4177.79   232.337   4233.74   233.288   176.155 4.9242  177.333 4.9115  -1.178040      6.954887 
1 1 1 -2  -21 14 o 109.999 2.4660  1624.66   72.642    1581.74   102.152   1668.56   103.321   108.527 3.5142  111.470 3.4605  -2.943405      4.931983 
1 1 1 -2  -21 15 o 63.637  1.9385  542.928   33.028    521.881   46.106    565.113   47.337    62.370  2.7599  64.903  2.7230  -2.533463      3.877070 
1 1 1 -2  -21 16 o 13.941  2.7919  24.856    12.066    42.852    17.284    7.7471    16.852    17.522  3.7927  10.360  4.0979  7.162095       5.583701 
1 1 1 -2  -21 17 o 141.839 2.9400  2705.98   111.696   2696.70   157.606   2715.34   158.319   141.595 4.1556  142.083 4.1601  -0.4878082     5.880086 
1 1 1 -2  -21 18 o 58.271  1.9057  455.575   29.741    446.808   41.851    464.520   42.274    57.705  2.7077  58.838  2.6824  -1.133709      3.811443 
1 1 1 -2  -21 19 o 45.139  1.9070  274.520   22.939    264.985   32.501    283.984   32.380    44.350  2.7496  45.928  2.6433  -1.578045      3.814064 
1 1 1 -2  -21 20 o 29.530  2.2231  120.072   16.877    92.404    23.847    147.835   23.889    25.985  3.5167  33.076  2.7205  -7.091560      4.446212 
1 1 1 -2  -21 21 o 68.160  1.9800  623.939   36.094    668.589   51.427    580.591   50.672    70.568  2.7208  65.751  2.8773  4.817459       3.959937 
1 1 1 -2  -21 22 o 100.325 2.3466  1353.37   63.047    1389.85   89.642    1317.65   88.689    101.666 3.2919  98.983  3.3452  2.682396       4.693286 
1 1 1 -2  -21 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -21 24 o 61.018  4.4744  505.970   72.619    0.0000    0.0000    505.970   72.619    ?       ?       61.018  4.4744  ?              ?        
1 1 1 -2  -21 25 f 87.861  2.2133  1038.68   52.069    1075.57   74.603    1003.63   72.708    89.384  3.1161  86.339  3.1440  3.044884       4.426596 
1 1 1 -2  -21 26 o 76.905  2.1403  796.263   44.071    806.404   63.387    786.773   61.315    77.374  3.0586  76.435  2.9949  0.9385147      4.280690 
1 1 1 -2  -21 27 o 29.562  2.3145  118.893   17.952    133.041   26.216    106.403   24.633    31.248  3.1765  27.876  3.3672  3.371372       4.629054 
1 1 1 -2  -21 28 o 109.739 2.5404  1630.58   74.653    1610.24   106.293   1650.39   104.873   109.048 3.6391  110.430 3.5456  -1.382042      5.080786 
1 1 1 -2  -21 29 o 56.435  2.0283  431.649   30.513    411.463   44.108    450.173   42.255    55.105  2.9997  57.766  2.7310  -2.660286      4.056610 
1 1 1 -2  -21 30 o 49.139  2.0656  329.338   26.917    300.387   38.817    356.151   37.357    47.001  3.1008  51.278  2.7297  -4.277088      4.131121 
1 1 1 -2  -21 31 o 7.2095  2.3687  -17.5854  11.529    -5.0475   15.811    -31.8202  16.847    8.1970  3.6315  6.2220  3.0422  1.975062       4.737429 
1 1 1 -2  -21 32 f 87.659  2.3402  1046.42   54.942    1038.47   78.003    1054.24   77.399    87.318  3.3352  88.000  3.2837  -0.6828003     4.680394 
1 1 1 -2  -21 33 f 44.886  2.1778  275.517   26.011    272.929   37.258    277.979   36.330    44.663  3.1343  45.109  3.0244  -0.4456291     4.355584 
1 1 1 -2  -21 34 o 43.943  2.1859  265.647   25.434    240.188   36.348    290.071   35.602    41.803  3.2724  46.083  2.8991  -4.280708      4.371844 
1 1 1 -2  -21 35 o 43.658  2.2260  262.573   25.784    245.075   36.820    279.410   36.118    42.171  3.2856  45.145  3.0041  -2.973969      4.451925 
1 1 1 -2  -21 36 o 34.712  2.4081  167.492   22.085    164.425   31.630    170.410   30.850    34.371  3.4839  35.054  3.3255  -0.6834106     4.816258 
1 1 1 -2  -21 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -21 38 o 18.064  3.2878  48.424    17.300    73.542    24.361    22.871    24.572    22.476  4.2011  13.653  5.0586  8.822824       6.575673 
1 1 1 -2  -21 39 o 11.285  3.1510  4.9459    15.585    -14.8393  21.517    26.779    22.603    8.5880  3.9715  13.983  4.8931  -5.394720      6.302007 
1 1 1 -2  -21 40 o 26.949  3.0984  107.794   21.574    114.357   30.703    101.393   30.322    27.849  4.2507  26.049  4.5091  1.799759       6.196786 
1 1 1 -2  -21 41 o 12.817  3.4200  19.089    16.550    7.9303    22.888    31.316    23.959    11.062  4.6229  14.571  5.0412  -3.509130      6.839917 
1 1 1 -2  -21 42 o 32.073  2.8947  154.897   23.651    191.582   33.826    119.810   33.081    36.279  3.5255  27.867  4.5920  8.412165       5.789303 
1 1 1 -2  -21 43 o 35.396  2.8153  188.771   26.203    186.161   37.623    191.229   36.516    35.059  4.0830  35.734  3.8773  -0.6756210     5.630668 
1 1 1 -2  -21 44 o 28.599  3.2556  129.932   24.071    126.932   34.404    132.809   33.691    28.150  4.7306  29.048  4.4739  -0.8974419     6.511145 
1 1 1 -2  -21 45 o 12.353  3.3150  11.977    18.368    43.440    25.186    -23.7709  26.847    15.978  5.1636  8.7290  4.1588  7.248779       6.630095 
1 1 1 -2  -21 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -21 47 o 11.536  3.5498  10.967    20.434    4.0316    27.347    19.734    30.746    10.617  4.7356  12.454  5.2895  -1.836223      7.099638 
1 1 1 -2  -21 48 o 12.702  3.7516  24.983    22.058    38.385    30.236    9.7374    32.249    14.091  5.5153  11.314  5.0871  2.777767       7.503160 
1 1 1 -2  -20 1  o 166.324 3.3954  3723.36   151.223   3635.98   214.413   3809.86   213.314   164.371 4.8701  168.278 4.7326  -3.907196      6.790856 
1 1 1 -2  -20 2  o 107.848 2.4891  1561.36   71.896    1590.34   102.205   1532.97   101.155   108.840 3.5059  106.856 3.5343  1.983315       4.978176 
1 1 1 -2  -20 3  o 135.438 2.8877  2464.67   104.749   2447.85   148.646   2481.26   147.636   134.976 4.1116  135.900 4.0559  -0.9238892     5.775379 
1 1 1 -2  -20 4  o 50.979  1.8878  349.578   25.679    357.306   36.184    341.736   36.450    51.552  2.6292  50.407  2.7096  1.144947       3.775576 
1 1 1 -2  -20 5  o 177.720 3.5236  4249.54   167.720   4311.00   237.759   4188.66   236.629   179.003 4.9589  176.437 5.0071  2.566254       7.047158 
1 1 1 -2  -20 6  o 73.320  2.0270  721.065   39.807    719.888   56.369    722.236   56.223    73.260  2.8726  73.380  2.8605  -0.1198578     4.053964 
1 1 1 -2  -20 7  o 205.238 3.9692  5675.72   218.098   5884.98   308.926   5467.77   307.952   209.031 5.5176  201.445 5.7074  7.585602       7.938419 
1 1 1 -2  -20 8  o 180.447 3.6054  4382.05   174.251   4422.29   246.507   4341.85   246.350   181.279 5.0768  179.615 5.1206  1.663696       7.210739 
1 1 1 -2  -20 9  o 179.505 3.5680  4336.51   171.519   4431.49   242.570   4241.53   242.558   181.480 4.9902  177.529 5.1010  3.950897       7.136007 
1 1 1 -2  -20 10 o 36.172  1.9561  176.297   18.791    171.917   25.907    181.160   27.296    35.699  2.7300  36.645  2.8022  -0.9458389     3.912228 
1 1 1 -2  -20 11 o 68.209  1.9649  623.489   35.883    601.743   49.961    646.658   51.570    66.981  2.7847  69.436  2.7728  -2.455231      3.929808 
1 1 1 -2  -20 12 o 165.882 3.3157  3700.96   147.319   3713.68   207.911   3688.14   208.773   166.171 4.6712  165.593 4.7070  0.5778809      6.631465 
1 1 1 -2  -20 13 o 118.264 2.5858  1877.83   81.902    1842.96   115.191   1913.49   116.472   117.153 3.6710  119.376 3.6426  -2.223145      5.171536 
1 1 1 -2  -20 14 o 269.869 5.1486  9857.42   372.135   9713.13   525.791   10002.25  526.766   267.871 7.3282  271.866 7.2339  -3.994507      10.29720 
1 1 1 -2  -20 15 o 226.068 4.3759  6898.17   264.960   6947.74   374.411   6848.44   375.010   226.889 6.1609  225.246 6.2158  1.642700       8.751750 
1 1 1 -2  -20 16 o 202.880 3.9150  5547.90   212.744   5572.77   300.543   5522.93   301.189   203.340 5.5182  202.420 5.5551  0.9199371      7.830054 
1 1 1 -2  -20 17 o 191.598 3.7182  4945.78   190.813   4945.79   269.563   4945.77   270.140   191.600 5.2526  191.597 5.2639  0.3021240E-02  7.436338 
1 1 1 -2  -20 18 o 122.408 2.6309  2012.95   86.259    2010.26   121.835   2015.65   122.143   122.327 3.7185  122.490 3.7229  -0.1633530     5.261811 
1 1 1 -2  -20 19 o 143.914 2.9838  2785.44   115.017   2789.10   162.707   2781.77   162.610   144.009 4.2182  143.819 4.2213  0.1898804      5.967592 
1 1 1 -2  -20 20 o 150.313 3.0959  3040.47   124.645   3052.01   176.545   3029.00   176.004   150.598 4.3767  150.029 4.3799  0.5693970      6.191831 
1 1 1 -2  -20 21 o 210.329 4.0928  5978.41   230.574   5969.61   326.449   5987.18   325.714   210.171 5.7990  210.487 5.7773  -0.3161774     8.185687 
1 1 1 -2  -20 22 o 124.048 2.7275  2070.11   90.613    2052.15   128.751   2087.74   127.549   123.509 3.8919  124.586 3.8223  -1.076454      5.454955 
1 1 1 -2  -20 23 o 99.402  2.3480  1327.69   62.496    1375.43   89.179    1281.61   87.608    101.161 3.2913  97.643  3.3498  3.517487       4.696096 
1 1 1 -2  -20 24 o 31.499  2.1926  135.035   18.161    130.118   26.757    139.236   24.731    30.936  3.2791  32.062  2.9115  -1.125845      4.385168 
1 1 1 -2  -20 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -20 26 o 87.801  2.2488  1036.62   52.859    1074.47   76.140    1001.40   73.442    89.347  3.1816  86.255  3.1789  3.091309       4.497509 
1 1 1 -2  -20 27 o 43.889  2.0785  260.440   24.265    259.753   35.137    261.066   33.549    43.824  3.0117  43.955  2.8653  -0.1315842     4.156925 
1 1 1 -2  -20 28 o 125.552 2.8115  2135.04   94.483    2059.26   134.191   2209.54   133.056   123.312 4.0628  127.792 3.8872  -4.480103      5.622937 
1 1 1 -2  -20 29 o 68.643  2.0966  636.030   38.510    619.926   55.251    651.245   53.705    67.784  3.0432  69.501  2.8849  -1.717209      4.193296 
1 1 1 -2  -20 30 o 108.217 2.5756  1589.03   74.620    1542.97   105.940   1634.39   105.122   106.635 3.7091  109.799 3.5744  -3.164703      5.151132 
1 1 1 -2  -20 31 o 32.159  2.3015  141.863   19.490    136.346   28.288    146.848   26.891    31.524  3.4042  32.794  3.0982  -1.269617      4.603026 
1 1 1 -2  -20 32 o 21.398  2.9090  64.889    16.025    61.788    23.423    67.617    21.972    20.853  4.3349  21.943  3.8804  -1.089888      5.817987 
1 1 1 -2  -20 33 o 12.957  3.1526  20.397    13.676    11.280    19.369    29.461    19.312    11.328  4.4197  14.586  4.4968  -3.258637      6.305152 
1 1 1 -2  -20 34 o 21.244  2.9416  64.209    16.136    66.364    23.099    62.155    22.552    21.604  4.1424  20.883  4.1777  0.7215061      5.883260 
1 1 1 -2  -20 35 o 27.669  2.7103  108.798   18.834    142.428   27.004    76.945    26.280    32.148  3.1776  23.191  4.3916  8.957275       5.420692 
1 1 1 -2  -20 36 o 35.466  2.4322  174.674   22.730    159.170   32.138    190.190   32.152    33.817  3.6036  37.115  3.2675  -3.297703      4.864453 
1 1 1 -2  -20 37 o 18.167  3.2973  47.460    17.034    25.999    23.556    70.984    24.663    14.165  4.9925  22.169  4.3086  -8.004236      6.594637 
1 1 1 -2  -20 38 o 17.114  4.3988  32.043    24.512    19.284    29.145    62.882    45.312    13.796  5.4107  20.433  6.9369  -6.636909      8.797533 
1 1 1 -2  -20 39 o 46.065  2.3552  297.612   28.696    264.523   40.689    330.353   40.475    43.378  3.5328  48.753  3.1158  -5.375092      4.710472 
1 1 1 -2  -20 40 o 8.2410  2.6106  -21.5195  13.838    8.3393    19.078    -54.6761  20.104    10.561  4.2968  5.9207  2.9664  4.640564       5.221298 
1 1 1 -2  -20 41 o 14.034  3.6312  26.712    17.859    23.256    25.138    30.234    25.378    13.498  5.0933  14.570  5.1769  -1.072298      7.262384 
1 1 1 -2  -20 42 o 21.118  3.5611  71.105    19.990    59.858    28.484    82.018    28.060    19.239  5.3392  22.997  4.7137  -3.757679      7.122250 
1 1 1 -2  -20 43 o 12.417  3.4596  17.093    17.342    6.7530    24.139    28.121    24.930    10.963  4.6722  13.870  5.1034  -2.907468      6.919127 
1 1 1 -2  -20 44 o 45.431  2.6848  309.016   32.282    323.227   44.984    293.926   46.355    46.723  3.6229  44.138  3.9632  2.584343       5.369545 
1 1 1 -2  -20 45 o 20.765  4.0041  76.531    22.963    81.556    31.231    70.617    33.879    21.799  5.3812  19.731  5.9307  2.068184       8.008184 
1 1 1 -2  -20 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -20 47 f 11.021  3.3360  1.2476    19.924    29.018    26.739    -33.4182  29.875    13.438  5.2067  8.6053  4.1721  4.832173       6.672029 
1 1 1 -2  -20 48 f 7.5869  2.5854  -21.4611  11.804    2.5813    25.007    -28.3535  13.390    10.034  4.4981  5.1399  2.5502  4.894067       5.170735 
1 1 1 -2  -19 1  o 240.832 4.6313  7827.68   298.710   7989.90   423.312   7666.79   421.572   243.333 6.4949  238.332 6.6039  5.001205       9.262559 
1 1 1 -2  -19 2  o 117.329 2.6373  1848.33   82.874    1835.08   117.701   1861.35   116.708   116.910 3.7587  117.748 3.7005  -0.8382034     5.274581 
1 1 1 -2  -19 3  o 149.347 3.1256  2997.45   125.031   3002.01   177.359   2992.94   176.287   149.459 4.4304  149.235 4.4102  0.2238159      6.251274 
1 1 1 -2  -19 4  o 281.699 5.3140  10735.28  400.822   11070.29  567.758   10402.41  565.944   286.120 7.4084  277.278 7.6203  8.842621       10.62793 
1 1 1 -2  -19 5  o 195.137 3.8402  5126.30   200.711   5103.95   284.210   5148.54   283.487   194.709 5.4496  195.565 5.4119  -0.8557587     7.680314 
1 1 1 -2  -19 6  o 79.014  2.0633  837.372   43.667    838.107   61.737    836.636   61.771    79.049  2.9159  78.979  2.9200  0.6952667E-01  4.126586 
1 1 1 -2  -19 7  o 38.156  1.8164  196.349   18.428    203.102   25.691    189.193   26.448    38.843  2.4824  37.469  2.6525  1.373859       3.632881 
1 1 1 -2  -19 8  o 158.981 3.2169  3397.80   136.957   3480.44   193.742   3315.26   193.631   160.921 4.4949  157.042 4.6033  3.878693       6.433899 
1 1 1 -2  -19 9  o 35.529  1.8216  169.809   17.198    159.933   23.762    180.675   24.924    34.439  2.5950  36.620  2.5571  -2.180298      3.643226 
1 1 1 -2  -19 10 o 201.311 3.9146  5457.48   211.075   5495.35   298.217   5419.46   298.795   202.016 5.5114  200.606 5.5608  1.409470       7.829289 
1 1 1 -2  -19 11 o 150.359 3.0480  3037.88   122.749   3005.92   173.136   3070.18   174.054   149.563 4.3219  151.156 4.2990  -1.592911      6.095934 
1 1 1 -2  -19 12 o 219.450 4.2284  6492.09   248.531   6412.70   351.030   6571.88   351.922   218.098 6.0090  220.802 5.9505  -2.704407      8.456766 
1 1 1 -2  -19 13 o 166.565 3.3181  3730.81   148.029   3691.21   208.883   3770.77   209.811   165.675 4.7071  167.455 4.6778  -1.780289      6.636189 
1 1 1 -2  -19 14 o 42.842  1.7900  246.895   20.444    243.619   28.540    250.347   29.301    42.551  2.5153  43.134  2.5474  -0.5830765     3.579951 
1 1 1 -2  -19 15 o 80.411  2.0334  867.351   43.791    868.019   61.552    866.667   62.316    80.444  2.8567  80.379  2.8944  0.6439209E-01  4.066749 
1 1 1 -2  -19 16 o 204.945 3.9301  5659.63   215.740   5668.37   304.835   5650.85   305.369   205.106 5.5488  204.785 5.5672  0.3213196      7.860218 
1 1 1 -2  -19 17 o 166.956 3.3528  3750.08   149.929   3704.49   211.832   3795.86   212.231   165.935 4.7661  167.977 4.7171  -2.041763      6.705698 
1 1 1 -2  -19 18 o 115.559 2.5340  1793.19   78.431    1779.09   110.908   1807.29   110.928   115.103 3.5974  116.014 3.5698  -0.9110870     5.067988 
1 1 1 -2  -19 19 o 50.486  1.8650  342.792   25.133    343.674   35.606    341.915   35.480    50.551  2.6388  50.422  2.6363  0.1296272      3.730059 
1 1 1 -2  -19 20 o 144.720 3.0145  2816.25   116.847   2810.16   165.628   2822.29   164.869   144.562 4.2775  144.878 4.2486  -0.3154907     6.028914 
1 1 1 -2  -19 21 f 82.292  2.1259  908.588   46.852    925.185   66.957    892.664   65.583    83.028  3.0108  81.556  3.0022  1.471840       4.251872 
1 1 1 -2  -19 22 o 124.233 2.7077  2074.28   90.087    2126.98   128.195   2022.87   126.623   125.795 3.8047  122.672 3.8537  3.123245       5.415425 
1 1 1 -2  -19 23 o 154.888 3.1808  3230.42   131.944   3305.54   187.511   3156.74   185.697   156.677 4.4682  153.098 4.5284  3.578461       6.361691 
1 1 1 -2  -19 24 o 101.798 2.3969  1392.36   65.345    1411.87   93.442    1373.68   91.416    102.494 3.4037  101.102 3.3758  1.392616       4.793878 
1 1 1 -2  -19 25 o 87.674  2.2248  1032.09   52.211    1085.12   74.966    982.138   72.759    89.862  3.1146  85.485  3.1777  4.376160       4.449526 
1 1 1 -2  -19 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -19 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -19 28 o 108.979 2.5526  1602.45   74.491    1583.43   106.153   1620.90   104.557   108.331 3.6584  109.627 3.5608  -1.295685      5.105194 
1 1 1 -2  -19 29 o 55.113  2.0600  410.340   30.285    405.432   43.388    415.002   42.293    54.782  2.9680  55.444  2.8576  -0.6619415     4.120091 
1 1 1 -2  -19 30 o 50.461  2.0756  344.735   27.894    339.147   40.305    349.872   38.642    50.052  3.0206  50.870  2.8475  -0.8181610     4.151183 
1 1 1 -2  -19 31 o 8.4794  2.6438  -5.5898   11.772    -10.1803  16.051    -0.2462   17.317    7.7127  3.5157  9.2461  3.9494  -1.533409      5.287534 
1 1 1 -2  -19 32 o 35.268  2.2594  169.945   21.086    168.293   30.487    171.459   29.194    35.084  3.2825  35.453  3.1057  -0.3690834     4.518893 
1 1 1 -2  -19 33 o 52.498  2.1462  374.805   30.037    389.924   42.892    360.254   42.077    53.548  3.0026  51.447  3.0674  2.101246       4.292361 
1 1 1 -2  -19 34 o 37.953  2.2479  197.730   22.576    183.151   32.112    211.978   31.746    36.520  3.3191  39.387  3.0325  -2.866352      4.495825 
1 1 1 -2  -19 35 o 62.725  2.2011  537.054   36.875    564.357   52.196    509.848   52.102    64.387  3.0266  61.063  3.1967  3.324062       4.402164 
1 1 1 -2  -19 36 o 28.852  2.6085  116.585   19.578    129.230   27.681    103.928   27.695    30.518  3.4467  27.186  3.9164  3.332771       5.217057 
1 1 1 -2  -19 37 o 8.1856  2.6161  -10.9046  12.570    -20.5913  17.751    -1.1619   17.802    7.2158  3.4216  9.1553  3.9585  -1.939515      5.232298 
1 1 1 -2  -19 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -19 39 o 62.133  2.3459  536.292   38.891    521.298   54.501    551.849   55.513    61.234  3.3355  63.032  3.2996  -1.798019      4.691761 
1 1 1 -2  -19 40 o 31.234  2.8019  140.282   22.730    121.547   31.753    159.970   32.552    28.927  4.2227  33.542  3.6839  -4.615166      5.603786 
1 1 1 -2  -19 41 o 22.889  3.3702  81.281    20.361    46.279    28.538    117.566   29.057    17.324  5.4858  28.454  3.9163  -11.13067      6.740332 
1 1 1 -2  -19 42 o 15.176  3.6584  34.606    17.842    36.445    24.956    32.683    25.519    15.472  5.1478  14.880  5.1997  0.5925035      7.316863 
1 1 1 -2  -19 43 o 15.380  3.2965  24.569    18.517    -11.9599  24.433    73.868    28.384    9.2802  4.2702  21.480  5.0232  -12.19991      6.592948 
1 1 1 -2  -19 44 f 14.160  3.7178  29.927    19.143    37.101    25.589    20.808    28.848    15.204  5.2127  13.115  5.3025  2.088408       7.435618 
1 1 1 -2  -19 45 o 11.144  3.0272  1.9798    16.671    35.653    21.885    -44.5728  25.732    14.830  4.8153  7.4593  3.6700  7.370473       6.054389 
1 1 1 -2  -19 46 o 13.785  3.3709  29.413    14.182    31.768    26.942    28.510    16.679    14.137  5.2853  13.434  4.1853  0.7034311      6.741741 
1 1 1 -2  -19 47 o 11.754  3.0974  20.237    13.872    1.1465    25.636    28.142    16.496    10.270  4.5826  13.238  4.1685  -2.967991      6.194867 
1 1 1 -2  -19 48 o 11.111  3.1115  -1.7492   13.908    45.842    27.111    -18.7487  16.203    15.665  5.3655  6.5567  3.1523  9.107933       6.222969 
1 1 1 -2  -19 49 f 25.294  3.3707  113.390   20.356    115.110   36.379    112.606   24.560    23.963  5.7428  26.625  3.5310  -2.661789      6.741490 
1 1 1 -2  -18 1  o 141.348 2.9890  2684.30   113.144   2640.32   160.535   2727.71   159.491   140.192 4.2752  142.503 4.1785  -2.310974      5.978063 
1 1 1 -2  -18 2  f 92.077  2.2336  1137.71   55.069    1112.89   78.256    1162.05   77.508    91.080  3.2078  93.075  3.1090  -1.994804      4.467226 
1 1 1 -2  -18 3  o 143.423 3.0129  2763.26   115.734   2743.20   164.105   2783.11   163.244   142.902 4.2874  143.943 4.2341  -1.041245      6.025703 
1 1 1 -2  -18 4  o 153.778 3.1908  3177.91   131.409   3129.39   186.155   3226.10   185.528   152.603 4.5543  154.953 4.4701  -2.349915      6.381527 
1 1 1 -2  -18 5  o 191.208 3.7474  4918.87   191.914   4874.52   271.668   4963.04   271.147   190.343 5.3286  192.073 5.2705  -1.730194      7.494788 
1 1 1 -2  -18 6  o 147.504 3.0133  2922.90   119.008   3020.69   168.571   2825.74   168.036   149.971 4.1965  145.038 4.3255  4.932922       6.026635 
1 1 1 -2  -18 7  o 168.653 3.3620  3823.17   151.874   3830.95   214.772   3815.38   214.794   168.825 4.7495  168.480 4.7597  0.3447876      6.724080 
1 1 1 -2  -18 8  o 228.712 4.3429  7048.30   266.027   7140.05   376.222   6956.56   376.215   230.209 6.1014  227.214 6.1817  2.995117       8.685711 
1 1 1 -2  -18 9  o 173.801 3.4206  4060.74   159.233   4019.38   224.887   4102.33   225.492   172.911 4.8557  174.691 4.8192  -1.779922      6.841218 
1 1 1 -2  -18 10 o 159.711 3.2104  3427.53   137.331   3380.95   193.784   3474.52   194.649   158.618 4.5612  160.803 4.5193  -2.184891      6.420901 
1 1 1 -2  -18 11 o 159.882 3.1923  3435.03   136.688   3355.47   192.825   3515.39   193.791   158.016 4.5559  161.748 4.4731  -3.731613      6.384700 
1 1 1 -2  -18 12 o 264.464 5.0358  9447.11   356.708   9512.04   504.173   9382.02   504.751   265.383 7.0928  263.545 7.1505  1.838104       10.07158 
1 1 1 -2  -18 13 o 75.052  1.9521  755.185   39.225    724.832   55.045    786.502   55.911    73.519  2.7953  76.585  2.7256  -3.066254      3.904200 
1 1 1 -2  -18 14 o 171.343 3.3927  3948.21   155.685   4012.47   219.911   3883.65   220.433   172.748 4.7528  169.939 4.8428  2.808609       6.785372 
1 1 1 -2  -18 15 o 117.423 2.5365  1851.15   79.765    1882.11   112.578   1819.93   113.032   118.412 3.5495  116.434 3.6244  1.977989       5.072963 
1 1 1 -2  -18 16 o 111.386 2.4415  1665.37   72.836    1681.44   102.807   1649.18   103.206   111.927 3.4292  110.845 3.4762  1.082031       4.882967 
1 1 1 -2  -18 17 o 53.102  1.7884  378.231   25.422    393.532   35.991    362.996   35.914    54.176  2.4803  52.029  2.5771  2.146774       3.576747 
1 1 1 -2  -18 18 o 38.616  1.8127  200.805   18.640    204.574   26.565    197.150   26.163    38.975  2.5589  38.257  2.5681  0.7177773      3.625335 
1 1 1 -2  -18 19 o 115.470 2.5500  1790.81   78.849    1753.67   111.863   1827.48   111.160   114.276 3.6546  116.664 3.5573  -2.388496      5.100070 
1 1 1 -2  -18 20 o 41.527  1.8972  231.978   20.964    237.704   30.543    226.877   28.827    42.009  2.7292  41.045  2.6360  0.9637794      3.794383 
1 1 1 -2  -18 21 o 94.833  2.2930  1206.65   58.228    1247.75   83.219    1167.22   81.503    96.416  3.2224  93.250  3.2631  3.165680       4.586080 
1 1 1 -2  -18 22 o 156.339 3.2245  3288.77   135.020   3284.11   191.860   3293.34   190.048   156.225 4.5851  156.452 4.5352  -0.2274017     6.449076 
1 1 1 -2  -18 23 o 97.296  2.3265  1271.70   60.593    1250.11   86.773    1292.24   84.649    96.484  3.3577  98.107  3.2213  -1.622849      4.653038 
1 1 1 -2  -18 24 o 85.591  2.1893  983.204   50.172    996.277   72.116    970.941   69.847    86.140  3.1256  85.042  3.0664  1.098289       4.378617 
1 1 1 -2  -18 25 o 89.341  2.2949  1073.54   54.845    1038.09   78.726    1106.97   76.449    87.898  3.3439  90.784  3.1439  -2.886276      4.589738 
1 1 1 -2  -18 26 o 183.676 3.6714  4560.52   180.559   4436.17   256.050   4683.51   254.653   181.158 5.2769  186.195 5.1061  -5.036530      7.342900 
1 1 1 -2  -18 27 o 87.154  2.2796  1022.49   53.157    989.944   76.151    1053.42   74.236    85.790  3.3140  88.518  3.1311  -2.728134      4.559183 
1 1 1 -2  -18 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -18 29 o 87.619  2.3253  1034.40   54.565    1030.28   77.731    1038.40   76.613    87.442  3.3188  87.796  3.2579  -0.3534317     4.650665 
1 1 1 -2  -18 30 o 85.234  2.2735  979.703   51.900    977.860   73.805    981.506   72.997    85.151  3.2360  85.317  3.1943  -0.1662064     4.547026 
1 1 1 -2  -18 31 o 71.691  2.1919  693.933   42.074    681.436   59.937    706.072   59.075    71.045  3.1497  72.336  3.0490  -1.291153      4.383741 
1 1 1 -2  -18 32 o 44.117  2.0983  264.078   24.650    266.149   35.108    262.065   34.617    44.287  2.9769  43.948  2.9580  0.3388329      4.196641 
1 1 1 -2  -18 33 o 48.176  2.1073  315.304   27.057    316.282   38.464    314.346   38.069    48.248  2.9911  48.104  2.9691  0.1434059      4.214531 
1 1 1 -2  -18 34 o 52.707  2.1110  378.035   29.662    362.516   41.862    393.682   42.034    51.601  3.0423  53.812  2.9273  -2.211491      4.221921 
1 1 1 -2  -18 35 o 59.611  2.1963  484.787   34.945    487.336   49.235    482.199   49.606    59.777  3.0856  59.446  3.1264  0.3309326      4.392654 
1 1 1 -2  -18 36 o 99.468  2.5800  1358.50   68.718    1379.90   96.600    1336.58   97.776    100.296 3.5959  98.640  3.7008  1.656075       5.160039 
1 1 1 -2  -18 37 o 84.024  2.4363  970.236   54.785    1004.87   77.002    934.732   77.960    85.595  3.3587  82.452  3.5301  3.142937       4.872572 
1 1 1 -2  -18 38 o 47.911  2.3252  316.829   29.645    304.538   41.445    329.708   42.422    46.944  3.3175  48.879  3.2590  -1.935829      4.650433 
1 1 1 -2  -18 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -18 40 o 25.147  3.0109  91.790    19.536    86.195    26.950    97.986    28.361    24.307  4.2964  25.987  4.2192  -1.679836      6.021701 
1 1 1 -2  -18 41 o 25.538  3.2715  105.048   20.926    156.211   28.899    48.650    30.341    33.277  3.2851  17.800  5.6586  15.47744       6.543077 
1 1 1 -2  -18 42 o 11.751  3.3633  12.170    16.589    17.337    22.330    5.8058    24.781    12.304  4.7606  11.198  4.7521  1.105914       6.726525 
1 1 1 -2  -18 43 o 15.023  3.6996  33.458    18.365    26.128    24.938    42.145    27.146    13.729  5.0943  16.318  5.3661  -2.588747      7.399112 
1 1 1 -2  -18 44 o 8.9025  2.8676  -8.4383   15.174    -1.9509   19.819    -17.6265  23.586    9.1842  4.0675  8.6207  4.0433  0.5634928      5.735218 
1 1 1 -2  -18 45 o 10.058  2.9495  8.6911    12.361    -0.1594   24.078    11.858    14.404    10.118  4.4821  9.9974  3.8354  0.1205406      5.899076 
1 1 1 -2  -18 46 o 21.843  3.1485  72.537    17.132    91.265    29.419    62.927    21.074    23.625  4.8125  20.061  4.0612  3.564154       6.297088 
1 1 1 -2  -18 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -18 48 o 19.089  3.5552  58.839    17.131    81.959    32.018    49.566    20.278    20.976  5.5955  17.201  4.3873  3.774937       7.110434 
1 1 1 -2  -18 49 o 28.888  3.3259  144.834   22.591    142.762   40.334    145.781   27.269    27.131  5.7301  30.645  3.3783  -3.514339      6.651856 
1 1 1 -2  -17 1  o 103.249 2.4026  1430.17   66.443    1437.18   94.405    1423.28   93.530    103.499 3.4054  102.998 3.3902  0.5008469      4.805255 
1 1 1 -2  -17 2  o 151.003 3.1202  3062.87   126.190   3037.45   178.959   3088.02   177.965   150.376 4.4431  151.629 4.3819  -1.252869      6.240369 
1 1 1 -2  -17 3  o 242.900 4.6938  7953.03   305.378   7924.89   432.362   7981.04   431.378   242.467 6.6574  243.334 6.6186  -0.8665466     9.387608 
1 1 1 -2  -17 4  o 69.706  1.9573  651.479   36.542    644.968   51.719    657.969   51.637    69.358  2.7840  70.054  2.7519  -0.6964569     3.914548 
1 1 1 -2  -17 5  o 159.859 3.2201  3432.51   137.876   3465.61   195.202   3399.56   194.771   160.630 4.5370  159.088 4.5709  1.541580       6.440284 
1 1 1 -2  -17 6  o 55.292  1.7961  409.921   26.593    417.023   37.391    402.652   37.829    55.778  2.5028  54.807  2.5769  0.9709549      3.592289 
1 1 1 -2  -17 7  o 218.026 4.1704  6397.18   243.539   6448.00   344.415   6346.37   344.417   218.896 5.8743  217.156 5.9214  1.740417       8.340855 
1 1 1 -2  -17 8  o 95.619  2.2057  1226.35   56.481    1247.99   79.658    1204.47   80.097    96.469  3.0828  94.769  3.1554  1.699982       4.411426 
1 1 1 -2  -17 9  o 77.582  1.9790  807.088   41.072    754.345   57.675    861.355   58.503    75.007  2.8708  80.156  2.7249  -5.148430      3.958097 
1 1 1 -2  -17 10 o 332.449 6.2444  14967.02  555.966   15232.66  786.135   14701.23  786.374   335.434 8.7499  329.464 8.9111  5.969116       12.48872 
1 1 1 -2  -17 11 o 255.981 4.8171  8834.59   330.280   8835.41   466.775   8833.76   467.398   255.994 6.8075  255.968 6.8173  0.2630615E-01  9.634192 
1 1 1 -2  -17 12 o 102.356 2.3181  1405.27   63.534    1360.36   89.441    1451.00   90.267    100.703 3.3159  104.008 3.2402  -3.304611      4.636199 
1 1 1 -2  -17 13 o 71.373  1.8890  682.914   36.109    671.711   50.832    694.327   51.304    70.782  2.6812  71.964  2.6616  -1.182259      3.777947 
1 1 1 -2  -17 14 o 227.892 4.3747  6997.69   267.020   7075.40   377.480   6919.86   377.766   229.167 6.1497  226.617 6.2236  2.549149       8.749390 
1 1 1 -2  -17 15 o 84.458  2.0498  956.608   46.369    955.950   65.413    957.272   65.739    84.429  2.8926  84.487  2.9050  -0.5786133E-01 4.099520 
1 1 1 -2  -17 16 o 150.112 3.0503  3027.40   122.645   3040.11   173.451   3014.68   173.442   150.428 4.3049  149.796 4.3228  0.6325378      6.100694 
1 1 1 -2  -17 17 o 158.062 3.1886  3358.82   134.927   3487.71   191.118   3230.75   190.514   161.095 4.4293  155.028 4.5881  6.067673       6.377187 
1 1 1 -2  -17 18 o 69.078  1.9402  640.125   35.887    629.713   51.102    650.256   50.410    68.522  2.7843  69.634  2.7027  -1.111588      3.880378 
1 1 1 -2  -17 19 o 136.012 2.8189  2484.90   102.687   2527.19   145.882   2443.36   144.570   137.160 3.9709  134.863 4.0022  2.297272       5.637839 
1 1 1 -2  -17 20 o 108.984 2.4583  1594.08   71.749    1635.64   102.372   1553.95   100.588   110.381 3.4626  107.587 3.4906  2.793816       4.916663 
1 1 1 -2  -17 21 o 67.541  1.9540  610.647   35.294    661.491   51.097    564.258   48.807    70.226  2.7165  64.857  2.8096  5.369850       3.908091 
1 1 1 -2  -17 22 o 139.757 2.9558  2625.62   110.636   2622.80   157.549   2628.36   155.398   139.679 4.2111  139.835 4.1490  -0.1555176     5.911632 
1 1 1 -2  -17 23 o 146.912 3.0993  2902.33   121.945   2956.93   173.710   2849.28   171.229   148.275 4.3739  145.549 4.3922  2.726608       6.198556 
1 1 1 -2  -17 24 o 167.565 3.4034  3780.66   152.744   3809.77   217.180   3752.18   214.864   168.202 4.8206  166.928 4.8056  1.273300       6.806717 
1 1 1 -2  -17 25 o 40.219  2.1198  220.568   22.417    191.693   32.517    246.718   30.945    37.642  3.2572  42.795  2.7137  -5.152813      4.239549 
1 1 1 -2  -17 26 o 147.551 3.1039  2931.68   122.667   2961.86   174.296   2902.07   172.671   148.304 4.3878  146.799 4.3914  1.505035       6.207855 
1 1 1 -2  -17 27 o 80.792  2.2025  876.975   47.653    877.584   68.110    876.391   66.693    80.817  3.1465  80.767  3.0829  0.4965973E-01  4.405057 
1 1 1 -2  -17 28 o 87.650  2.3199  1033.25   54.461    1035.73   77.476    1030.82   76.570    87.753  3.2962  87.548  3.2653  0.2047424      4.639748 
1 1 1 -2  -17 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -17 30 o 108.602 2.6185  1591.91   76.168    1604.06   108.043   1579.90   107.396   109.015 3.7002  108.189 3.7061  0.8256836      5.237035 
1 1 1 -2  -17 31 f 50.756  2.0872  348.035   28.244    359.879   40.523    336.845   39.388    51.599  2.9442  49.913  2.9594  1.686348       4.174495 
1 1 1 -2  -17 32 o 66.170  2.1345  591.000   37.828    585.684   53.581    596.282   53.413    65.870  3.0369  66.470  3.0001  -0.5995941     4.268915 
1 1 1 -2  -17 33 o 76.381  2.2526  789.795   46.080    797.469   64.934    782.010   65.402    76.762  3.1582  76.000  3.2128  0.7615280      4.505168 
1 1 1 -2  -17 34 o 76.259  2.2776  789.197   46.518    787.716   65.398    790.714   66.183    76.192  3.2046  76.326  3.2373  -0.1346436     4.555150 
1 1 1 -2  -17 35 o 15.763  3.2060  33.856    14.688    21.940    19.922    48.048    21.741    13.216  4.5955  18.310  4.4715  -5.094446      6.411964 
1 1 1 -2  -17 36 o 45.355  2.2061  281.737   26.561    257.141   37.379    306.825   37.751    43.304  3.2462  47.405  2.9884  -4.100277      4.412289 
1 1 1 -2  -17 37 o 19.967  3.1336  58.863    16.472    73.813    22.590    41.891    24.070    22.864  3.8237  17.069  4.9657  5.794758       6.267298 
1 1 1 -2  -17 38 o 61.497  2.3008  519.098   37.773    485.433   52.680    554.723   54.191    59.370  3.3262  63.624  3.1799  -4.254677      4.601684 
1 1 1 -2  -17 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -17 40 o 49.283  2.3753  338.054   31.140    330.103   42.958    346.859   45.204    48.696  3.3132  49.869  3.4046  -1.173431      4.750643 
1 1 1 -2  -17 41 o 11.796  3.2062  1.6701    15.840    -19.1163  20.085    35.868    25.762    7.8870  3.7094  15.705  5.2305  -7.817609      6.412317 
1 1 1 -2  -17 42 o 32.636  2.8913  156.453   24.453    167.052   33.301    144.051   36.023    34.090  3.7068  31.183  4.4382  2.906935       5.782597 
1 1 1 -2  -17 43 o 18.576  3.2045  51.875    14.971    56.917    26.767    49.580    18.060    18.920  5.1458  18.232  3.8206  0.6880264      6.409076 
1 1 1 -2  -17 44 o 17.830  3.1856  51.972    15.054    40.987    25.618    57.767    18.606    15.990  5.2106  19.670  3.6663  -3.680407      6.371229 
1 1 1 -2  -17 45 o 16.602  3.4205  40.602    15.179    59.414    27.737    32.561    18.135    18.803  5.2867  14.400  4.3415  4.402733       6.840921 
1 1 1 -2  -17 46 o 8.9786  2.8580  -1.9728   13.000    -6.7672   25.635    -0.3131   15.083    9.7525  4.4446  8.2047  3.5941  1.547802       5.715929 
1 1 1 -2  -17 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -17 48 o 12.065  3.3555  20.420    15.233    21.441    26.837    19.935    18.502    12.480  5.0890  11.649  4.3750  0.8312721      6.711065 
1 1 1 -2  -17 49 o 10.559  3.1550  12.159    14.789    7.3980    26.723    14.260    17.756    10.672  4.7249  10.447  4.1822  0.2250366      6.309978 
1 1 1 -2  -16 1  o 148.443 3.0615  2958.36   121.710   3023.73   172.704   2893.86   171.548   150.075 4.2964  146.811 4.3625  3.263931       6.122990 
1 1 1 -2  -16 2  o 106.851 2.4497  1531.46   70.106    1521.80   99.497    1540.98   98.796    106.515 3.4875  107.187 3.4412  -0.6713867     4.899407 
1 1 1 -2  -16 3  o 139.445 2.9039  2609.43   108.461   2630.19   153.796   2588.90   152.980   139.997 4.1014  138.893 4.1121  1.103928       5.807890 
1 1 1 -2  -16 4  o 252.268 6.8261  8618.20   461.108   8817.33   650.590   8417.20   653.632   255.235 9.5165  249.300 9.7886  5.934601       13.65216 
1 1 1 -2  -16 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -16 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -16 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -16 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -16 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -16 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -16 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -16 12 o 112.137 3.4447  1685.99   103.354   1583.03   143.108   1798.25   149.424   108.562 4.9215  115.713 4.8211  -7.151550      6.889457 
1 1 1 -2  -16 13 o 129.625 2.7098  2254.69   94.075    2284.76   132.842   2224.44   133.243   130.494 3.8006  128.756 3.8636  1.738022       5.419595 
1 1 1 -2  -16 14 o 110.310 2.3894  1632.90   70.552    1700.18   99.724    1565.48   99.826    112.589 3.3069  108.030 3.4499  4.558998       4.778839 
1 1 1 -2  -16 15 o 136.515 2.8480  2501.73   104.136   2524.72   147.263   2478.74   147.279   137.144 4.0089  135.886 4.0465  1.257507       5.696074 
1 1 1 -2  -16 16 o 42.423  1.7502  242.211   19.786    236.794   28.296    247.395   27.679    41.952  2.5300  42.893  2.4191  -0.9403152     3.500387 
1 1 1 -2  -16 17 o 98.933  2.2633  1312.78   59.951    1364.12   85.354    1262.79   84.224    100.844 3.1600  97.022  3.2410  3.821510       4.526532 
1 1 1 -2  -16 18 o 45.396  1.7858  278.001   21.546    250.121   30.775    304.805   30.175    43.107  2.6787  47.684  2.3626  -4.577412      3.571676 
1 1 1 -2  -16 19 o 178.843 3.5296  4302.52   169.074   4334.50   239.871   4270.94   238.351   179.504 4.9890  178.182 4.9942  1.321869       7.059180 
1 1 1 -2  -16 20 o 103.769 2.3526  1444.49   65.368    1495.81   93.422    1395.27   91.496    105.575 3.3037  101.963 3.3502  3.612732       4.705144 
1 1 1 -2  -16 21 o 202.648 3.9899  5536.14   216.492   5393.25   307.063   5677.36   305.277   200.027 5.7312  205.269 5.5524  -5.241623      7.979754 
1 1 1 -2  -16 22 o 91.003  2.2438  1110.58   54.671    1146.69   78.557    1076.67   76.134    92.436  3.1729  89.570  3.1734  2.866501       4.487499 
1 1 1 -2  -16 23 o 76.391  2.1142  782.930   43.224    784.992   62.416    781.030   59.918    76.484  3.0467  76.297  2.9320  0.1876602      4.228353 
1 1 1 -2  -16 24 o 143.126 3.0194  2754.67   115.742   2745.31   164.700   2763.80   162.686   142.882 4.3036  143.371 4.2364  -0.4892883     6.038869 
1 1 1 -2  -16 25 o 206.140 4.0638  5735.23   224.378   5731.93   318.030   5738.50   316.612   206.077 5.7617  206.203 5.7325  -0.1260986     8.127647 
1 1 1 -2  -16 26 o 194.516 3.8659  5106.23   201.417   5113.23   285.321   5099.28   284.374   194.648 5.4726  194.385 5.4618  0.2627411      7.731826 
1 1 1 -2  -16 27 o 117.680 2.6817  1862.31   84.523    1892.53   119.976   1832.53   119.098   118.630 3.7758  116.730 3.8092  1.899986       5.363453 
1 1 1 -2  -16 28 o 69.517  2.0984  649.451   39.053    632.730   55.576    665.761   54.889    68.629  3.0234  70.405  2.9107  -1.776520      4.196733 
1 1 1 -2  -16 29 o 76.356  3.1152  788.214   63.267    807.586   93.441    771.814   85.971    77.197  4.5390  75.515  4.2679  1.682884       6.230399 
1 1 1 -2  -16 30 o 101.878 5.4077  1414.02   147.037   0.0000    0.0000    1414.02   147.037   ?       ?       101.878 5.4077  ?              ?        
1 1 1 -2  -16 31 o 44.204  2.1567  264.362   25.377    260.430   35.667    268.392   36.113    43.869  3.0545  44.539  3.0454  -0.6701279     4.313329 
1 1 1 -2  -16 32 o 48.603  2.1258  320.048   27.506    331.918   38.528    307.711   39.282    49.541  2.9164  47.664  3.0936  1.876614       4.251548 
1 1 1 -2  -16 33 o 47.030  2.1245  299.472   26.549    270.723   36.829    330.574   38.307    44.656  3.0983  49.404  2.9077  -4.747799      4.248995 
1 1 1 -2  -16 34 o 62.492  2.1556  529.748   35.982    549.903   50.540    509.032   51.240    63.756  2.9595  61.227  3.1350  2.529743       4.311267 
1 1 1 -2  -16 35 o 17.226  3.0535  43.090    14.592    57.877    20.030    26.369    21.300    20.266  3.8303  14.185  4.7564  6.080807       6.106955 
1 1 1 -2  -16 36 o 16.424  3.0346  35.807    14.905    12.654    20.197    63.495    22.086    11.685  4.5258  21.163  4.0438  -9.477202      6.069237 
1 1 1 -2  -16 37 o 12.568  3.2256  18.618    14.037    20.956    18.919    15.754    20.936    12.868  4.4782  12.269  4.6437  0.5990067      6.451186 
1 1 1 -2  -16 38 o 44.139  2.3362  269.777   27.259    290.619   37.749    247.068   39.405    46.018  3.0803  42.259  3.5131  3.759415       4.672324 
1 1 1 -2  -16 39 o 24.446  3.0880  86.697    19.361    94.957    26.626    77.430    28.204    25.856  3.9716  23.035  4.7295  2.820879       6.175931 
1 1 1 -2  -16 40 o 37.011  2.5503  192.253   24.905    193.466   34.209    190.885   36.330    37.197  3.4738  36.826  3.7348  0.3702927      5.100583 
1 1 1 -2  -16 41 o 19.925  3.4124  61.472    19.025    86.595    26.142    33.188    27.738    24.404  4.1479  15.446  5.4197  8.957857       6.824807 
1 1 1 -2  -16 42 o 32.573  2.4194  149.214   20.238    157.172   32.844    144.344   25.695    33.075  3.7750  32.072  3.0270  1.002705       4.838740 
1 1 1 -2  -16 43 o 9.2209  2.8195  1.4583    11.908    0.0817    21.744    2.0480    14.232    9.9565  4.3395  8.4854  3.6011  1.471085       5.639084 
1 1 1 -2  -16 44 o 19.482  3.0936  52.622    15.384    85.893    26.736    36.156    18.809    23.679  4.3768  15.284  4.3732  8.394514       6.187183 
1 1 1 -2  -16 45 o 24.935  3.0373  96.017    18.475    95.430    31.636    96.321    22.759    24.273  5.0313  25.596  3.4040  -1.323284      6.074601 
1 1 1 -2  -16 46 o 15.469  3.4806  36.892    15.378    47.947    27.365    31.790    18.592    16.776  5.3782  14.162  4.4198  2.613977       6.961281 
1 1 1 -2  -16 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -16 48 o 11.649  3.3346  17.232    15.288    13.432    28.997    18.695    17.992    11.857  5.0888  11.440  4.3108  0.4179506      6.669254 
1 1 1 -2  -16 49 o 17.079  3.6532  48.110    16.995    74.568    31.382    37.130    20.216    19.581  5.6625  14.577  4.6173  5.003634       7.306414 
1 1 1 -2  -15 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -15 2  o 116.700 3.6909  1831.00   115.213   1768.84   165.459   1889.50   160.524   114.766 5.3826  118.635 5.0517  -3.869339      7.381862 
1 1 1 -2  -15 3  o 188.113 3.6988  4750.84   186.346   4838.52   263.961   4663.72   263.107   189.847 5.1910  186.379 5.2704  3.467590       7.397529 
1 1 1 -2  -15 4  o 354.380 6.5455  16941.84  621.198   17308.83  879.069   16575.79  877.946   358.240 9.1614  350.520 9.3512  7.719452       13.09102 
1 1 1 -2  -15 5  o 176.173 3.4677  4164.72   163.626   4125.64   231.360   4203.83   231.445   175.344 4.9261  177.001 4.8818  -1.656769      6.935354 
1 1 1 -2  -15 6  o 287.977 5.3968  11158.55  416.169   11449.96  588.666   10867.36  588.438   291.754 7.5329  284.201 7.7301  7.552704       10.79351 
1 1 1 -2  -15 7  o 292.467 5.5041  11508.83  431.161   11413.36  609.443   11604.50  610.065   291.248 7.8123  293.687 7.7554  -2.438690      11.00812 
1 1 1 -2  -15 8  o 129.691 2.6870  2255.02   93.338    2230.33   131.655   2279.97   132.346   128.977 3.8110  130.405 3.7890  -1.428024      5.374023 
1 1 1 -2  -15 9  o 131.124 2.7314  2305.33   95.929    2306.12   135.356   2304.54   135.975   131.147 3.8533  131.102 3.8722  0.4586792E-01  5.462767 
1 1 1 -2  -15 10 o 190.052 3.6772  4848.16   187.177   4903.08   264.468   4793.04   264.950   191.133 5.1659  188.971 5.2346  2.162323       7.354406 
1 1 1 -2  -15 11 o 180.218 3.4881  4358.99   168.346   4256.13   237.711   4462.49   238.445   178.081 4.9836  182.355 4.8818  -4.273941      6.976281 
1 1 1 -2  -15 12 o 187.570 3.6125  4723.13   181.492   4751.81   256.483   4694.37   256.855   188.143 5.0896  186.999 5.1281  1.143860       7.225088 
1 1 1 -2  -15 13 o 129.833 2.7145  2260.81   94.399    2265.93   133.345   2255.67   133.657   129.981 3.8301  129.686 3.8478  0.2954712      5.429083 
1 1 1 -2  -15 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -15 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -15 16 o 35.421  2.2041  151.154   19.506    111.565   23.464    239.716   35.095    28.678  3.1043  42.165  3.1298  -13.48795      4.408189 
1 1 1 -2  -15 17 o 346.883 6.5016  16305.82  604.074   16410.86  855.032   16201.13  853.549   348.008 9.1728  345.758 9.2165  2.250092       13.00328 
1 1 1 -2  -15 18 o 49.916  1.7713  334.283   23.618    337.836   34.241    331.058   32.619    50.135  2.5583  49.696  2.4505  0.4388962      3.542614 
1 1 1 -2  -15 19 o 130.411 2.7386  2282.77   95.648    2328.20   136.287   2238.69   134.270   131.690 3.8638  129.132 3.8820  2.557709       5.477122 
1 1 1 -2  -15 20 o 219.852 4.2568  6514.07   250.667   6529.92   355.562   6498.41   353.440   220.115 6.0308  219.589 6.0092  0.5266571      8.513605 
1 1 1 -2  -15 21 f 179.611 3.5545  4340.45   170.996   4372.84   242.961   4308.65   240.705   180.274 5.0317  178.948 5.0219  1.326279       7.108988 
1 1 1 -2  -15 22 o 139.337 2.9100  2608.49   108.600   2635.00   154.596   2582.66   152.590   140.035 4.1217  138.639 4.1092  1.396210       5.820074 
1 1 1 -2  -15 23 o 161.548 3.2926  3510.80   142.467   3504.72   202.324   3516.79   200.645   161.406 4.6799  161.691 4.6329  -0.2851257     6.585256 
1 1 1 -2  -15 24 o 193.543 3.8488  5048.42   199.520   5098.79   282.800   4998.51   281.530   194.507 5.4282  192.579 5.4579  1.928726       7.697683 
1 1 1 -2  -15 25 o 98.060  2.3904  1290.99   62.780    1297.68   89.305    1284.46   88.273    98.310  3.3915  97.810  3.3694  0.5003281      4.780702 
1 1 1 -2  -15 26 o 155.516 3.1889  3254.68   132.834   3266.63   188.007   3242.77   187.705   155.802 4.5052  155.231 4.5145  0.5714722      6.377882 
1 1 1 -2  -15 27 o 87.562  2.2820  1030.15   53.448    1098.12   75.912    963.340   75.265    90.435  3.1339  84.690  3.3180  5.744484       4.564010 
1 1 1 -2  -15 28 o 36.962  2.1721  184.738   21.309    184.882   30.201    184.596   30.071    36.976  3.0773  36.948  3.0663  0.2761078E-01  4.344173 
1 1 1 -2  -15 29 o 45.037  2.0996  274.049   25.144    258.195   35.729    289.605   35.392    43.728  3.0700  46.346  2.8651  -2.618435      4.199261 
1 1 1 -2  -15 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -15 31 f 76.074  2.2330  779.200   45.496    778.031   63.849    780.405   64.845    76.019  3.1357  76.129  3.1800  -0.1101837     4.466047 
1 1 1 -2  -15 32 o 64.420  2.1375  558.927   36.874    548.154   51.463    570.292   52.859    63.784  3.0123  65.056  3.0335  -1.272526      4.275043 
1 1 1 -2  -15 33 o 49.945  2.1385  338.843   28.382    359.453   39.512    316.872   40.796    51.551  2.8730  48.339  3.1684  3.212685       4.277031 
1 1 1 -2  -15 34 o 59.785  2.1574  483.405   34.431    448.872   47.859    520.453   49.571    57.520  3.1181  62.051  2.9826  -4.531174      4.314875 
1 1 1 -2  -15 35 o 54.862  2.2035  410.293   32.168    428.785   44.706    390.440   46.322    56.186  2.9813  53.538  3.2456  2.648537       4.407001 
1 1 1 -2  -15 36 o 12.586  3.1968  18.815    13.758    21.450    18.581    15.616    20.469    12.959  4.4419  12.212  4.5987  0.7472620      6.393642 
1 1 1 -2  -15 37 o 36.632  2.4170  188.347   22.891    221.304   31.555    151.734   33.259    40.237  2.9484  33.027  3.8308  7.209858       4.834093 
1 1 1 -2  -15 38 o 14.714  2.9171  27.739    14.981    55.685    20.112    -7.0857   22.452    19.758  3.9387  9.6713  4.3039  10.08624       5.834134 
1 1 1 -2  -15 39 o 12.136  3.2591  12.079    15.258    -0.2006   20.491    27.362    22.859    9.9207  4.2682  14.352  4.9265  -4.431616      6.518281 
1 1 1 -2  -15 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -15 41 o 15.577  3.0604  31.554    13.123    52.680    22.414    20.535    16.188    18.844  4.5023  12.310  4.1464  6.534140       6.120761 
1 1 1 -2  -15 42 o 11.280  3.1108  12.420    12.762    16.200    22.865    10.710    15.381    12.327  4.8041  10.233  3.9534  2.093561       6.221643 
1 1 1 -2  -15 43 o 34.484  2.4710  170.773   21.575    168.295   35.567    172.216   27.139    33.952  3.9869  35.016  2.9202  -1.064095      4.941963 
1 1 1 -2  -15 44 o 9.3527  2.8571  2.0682    12.459    -0.5453   21.975    3.3062    15.124    9.8611  4.3284  8.8444  3.7306  1.016702       5.714215 
1 1 1 -2  -15 45 o 10.153  3.0484  5.9031    13.519    5.9009    24.563    5.9041    16.192    10.912  4.6833  9.3934  3.9037  1.518260       6.096867 
1 1 1 -2  -15 46 o 15.049  3.3991  37.175    15.132    30.352    28.072    39.969    17.965    14.169  5.3736  15.929  4.1640  -1.760879      6.798121 
1 1 1 -2  -15 47 o 12.992  5.5002  18.158    33.070    18.158    33.070    0.0000    0.0000    12.992  5.5002  ?       ?       ?              ?        
1 1 1 -2  -15 48 o 29.561  3.0035  131.480   22.029    165.153   38.677    115.311   26.800    31.748  4.6894  27.373  3.7542  4.374889       6.007001 
1 1 1 -2  -15 49 o 8.5384  2.7839  -17.9374  12.533    16.973    25.581    -28.9648  14.377    11.672  4.8832  5.4051  2.6748  6.266565       5.567823 
1 1 1 -2  -14 1  o 419.933 7.8153  23818.04  879.037   23661.41  1243.58   23974.46  1242.71   418.540 11.093  421.326 11.012  -2.785675      15.63063 
1 1 1 -2  -14 2  o 231.934 4.4257  7222.19   274.937   7194.99   389.253   7249.26   388.386   231.496 6.2777  232.371 6.2401  -0.8749542     8.851456 
1 1 1 -2  -14 3  o 140.708 2.9296  2654.39   110.403   2619.09   156.299   2689.53   155.969   139.773 4.1749  141.643 4.1111  -1.869415      5.859214 
1 1 1 -2  -14 4  o 222.200 4.2686  6625.49   254.046   6668.40   359.409   6582.64   359.142   222.920 6.0194  221.480 6.0540  1.440506       8.537194 
1 1 1 -2  -14 5  o 204.033 3.9201  5584.23   214.231   5544.20   302.871   5624.31   303.065   203.300 5.5620  204.766 5.5257  -1.465729      7.840239 
1 1 1 -2  -14 6  o 378.368 7.0183  19269.27  711.271   19219.16  1005.64   19319.43  1006.14   377.874 9.9358  378.862 9.9149  -0.9883423     14.03661 
1 1 1 -2  -14 7  o 340.112 6.3254  15554.54  576.232   15570.55  814.674   15538.51  815.157   340.288 8.9381  339.936 8.9527  0.3526001      12.65076 
1 1 1 -2  -14 8  o 187.387 3.6527  4709.07   183.324   4641.34   258.909   4777.16   259.612   186.034 5.1960  188.740 5.1354  -2.705231      7.305486 
1 1 1 -2  -14 9  o 356.125 6.6510  17063.93  634.412   16969.65  896.811   17158.37  897.579   355.137 9.4279  357.114 9.3838  -1.976990      13.30190 
1 1 1 -2  -14 10 o 281.977 5.2756  10681.05  398.451   10644.90  563.201   10717.26  563.789   281.498 7.4696  282.455 7.4521  -0.9571838     10.55125 
1 1 1 -2  -14 11 o 93.361  2.1271  1167.97   53.189    1173.66   75.026    1162.22   75.417    93.589  2.9929  93.132  3.0233  0.4574661      4.254165 
1 1 1 -2  -14 12 o 96.320  2.1756  1243.23   56.129    1232.53   79.233    1254.01   79.524    95.904  3.0844  96.736  3.0692  -0.8322525     4.351271 
1 1 1 -2  -14 13 o 330.816 6.1525  14734.80  545.157   14789.81  770.953   14679.80  770.984   331.437 8.6844  330.195 8.7174  1.241638       12.30490 
1 1 1 -2  -14 14 o 149.749 3.0026  3007.54   120.431   3044.57   170.524   2970.69   170.107   150.670 4.2254  148.829 4.2672  1.841324       6.005286 
1 1 1 -2  -14 15 o 172.856 3.3864  4009.79   156.787   4003.35   222.136   4016.19   221.326   172.717 4.8017  172.995 4.7765  -0.2786865     6.772844 
1 1 1 -2  -14 16 o 198.583 5.4064  5312.03   287.346   5598.41   409.747   5034.90   403.072   203.870 7.5037  193.295 7.7852  10.57481       10.81273 
1 1 1 -2  -14 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -14 18 o 179.535 3.5422  4331.19   170.325   4296.88   241.832   4364.96   239.931   178.824 5.0489  180.245 4.9698  -1.420242      7.084488 
1 1 1 -2  -14 19 o 114.869 2.5353  1771.28   77.965    1734.36   111.266   1806.88   109.279   113.689 3.6539  116.050 3.5156  -2.360893      5.070558 
1 1 1 -2  -14 20 o 156.162 3.1682  3276.15   132.512   3305.55   188.495   3247.41   186.324   156.854 4.4866  155.470 4.4744  1.384232       6.336359 
1 1 1 -2  -14 21 o 75.009  2.0324  754.444   40.816    759.196   58.641    749.979   56.847    75.237  2.9099  74.781  2.8381  0.4554367      4.064775 
1 1 1 -2  -14 22 o 62.823  1.9501  529.115   32.808    540.461   46.946    518.283   45.869    63.481  2.7610  62.165  2.7547  1.315987       3.900175 
1 1 1 -2  -14 23 o 201.821 3.9617  5488.92   214.128   5613.89   303.421   5364.94   302.228   204.121 5.5497  199.521 5.6553  4.600464       7.923493 
1 1 1 -2  -14 24 o 16.871  2.8819  39.743    12.871    41.071    18.574    38.517    17.851    17.141  4.1006  16.602  4.0504  0.5391769      5.763742 
1 1 1 -2  -14 25 o 160.472 3.3339  3465.30   143.299   3455.01   202.652   3475.58   202.658   160.232 4.7218  160.711 4.7079  -0.4784698     6.667861 
1 1 1 -2  -14 26 o 78.161  2.1869  819.948   45.783    826.413   64.758    813.487   64.736    78.470  3.0811  77.853  3.1044  0.6173477      4.373837 
1 1 1 -2  -14 27 o 48.863  2.0680  322.810   26.790    359.816   37.801    285.465   37.974    51.714  2.7388  46.011  3.0993  5.702915       4.136045 
1 1 1 -2  -14 28 o 113.662 2.6169  1736.69   79.668    1739.00   112.266   1734.34   113.073   113.740 3.6851  113.584 3.7167  0.1560516      5.233860 
1 1 1 -2  -14 29 o 85.778  2.2914  988.569   52.643    975.516   73.937    1001.99   74.972    85.204  3.2398  86.352  3.2414  -1.148277      4.582894 
1 1 1 -2  -14 30 f 50.816  2.1279  348.795   28.785    362.185   40.137    334.614   41.305    51.838  2.9024  49.794  3.1126  2.043247       4.255852 
1 1 1 -2  -14 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -14 32 o 80.730  2.3147  879.450   49.993    910.262   69.914    847.213   71.515    82.194  3.1757  79.266  3.3683  2.927521       4.629339 
1 1 1 -2  -14 33 o 82.393  2.3282  919.586   51.205    985.820   71.503    849.859   73.364    85.482  3.1229  79.304  3.4538  6.177994       4.656330 
1 1 1 -2  -14 34 o 49.231  2.1688  328.292   28.428    309.284   39.460    348.803   40.991    47.739  3.1029  50.723  3.0310  -2.984657      4.337580 
1 1 1 -2  -14 35 f 41.928  2.1901  239.943   24.345    248.624   33.563    230.305   35.365    42.767  2.9480  41.089  3.2397  1.677570       4.380164 
1 1 1 -2  -14 36 o 83.491  2.3788  947.968   53.172    916.714   73.847    981.614   76.621    82.065  3.3596  84.917  3.3687  -2.851517      4.757646 
1 1 1 -2  -14 37 o 30.760  2.5441  131.594   20.461    137.601   28.108    124.822   29.843    31.580  3.3753  29.940  3.8075  1.639994       5.088181 
1 1 1 -2  -14 38 o 76.875  2.7891  805.174   54.853    777.588   67.913    856.941   93.032    75.370  3.3641  78.380  4.4497  -3.009308      5.578284 
1 1 1 -2  -14 39 o 13.042  2.8576  23.985    12.224    3.7556    20.462    35.212    15.243    10.412  4.3626  15.672  3.6920  -5.260470      5.715174 
1 1 1 -2  -14 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -14 41 f 13.091  3.2138  21.997    13.149    25.733    22.960    20.174    16.039    13.945  4.9275  12.236  4.1273  1.708509       6.427616 
1 1 1 -2  -14 42 o 21.484  3.1003  73.967    16.251    52.076    28.141    84.920    19.905    18.419  5.3724  24.550  3.0959  -6.130453      6.200622 
1 1 1 -2  -14 43 o 20.483  3.0838  59.955    15.874    76.602    26.927    51.088    19.652    22.469  4.6283  18.498  4.0764  3.970856       6.167535 
1 1 1 -2  -14 44 o 18.935  3.2557  54.378    15.758    60.584    26.861    51.122    19.458    19.492  5.0898  18.377  4.0611  1.115223       6.511485 
1 1 1 -2  -14 45 o 18.073  3.3558  49.345    15.678    62.611    27.577    43.010    19.057    19.532  5.1848  16.613  4.2619  2.919247       6.711587 
1 1 1 -2  -14 46 o 18.674  3.4204  50.533    16.450    80.394    29.826    37.477    19.721    22.030  5.1473  15.318  4.5059  6.712495       6.840859 
1 1 1 -2  -14 47 o 18.856  3.5154  59.542    17.415    58.329    30.405    60.134    21.245    18.176  5.6488  19.536  4.1860  -1.360443      7.030764 
1 1 1 -2  -14 48 o 24.017  3.3746  90.420    20.096    115.413   34.828    77.946    24.606    26.017  5.1800  22.017  4.3266  3.999374       6.749240 
1 1 1 -2  -14 49 o 10.535  3.1678  10.369    15.395    1.6397    27.146    14.508    18.692    10.364  4.6631  10.705  4.2891  -0.3411016     6.335681 
1 1 1 -2  -13 1  o 371.900 6.9139  18606.30  688.484   18061.28  973.730   19151.18  973.597   366.429 9.9211  377.371 9.6321  -10.94156      13.82772 
1 1 1 -2  -13 2  o 280.635 5.2708  10573.59  396.043   10923.92  560.792   10225.01  559.388   285.283 7.3390  275.987 7.5672  9.296356       10.54150 
1 1 1 -2  -13 3  o 361.380 6.6826  17551.53  646.791   17822.49  915.170   17281.13  914.232   364.176 9.3821  358.584 9.5187  5.591614       13.36523 
1 1 1 -2  -13 4  o 334.569 6.1822  15035.16  553.932   15331.25  783.688   14739.55  783.069   337.870 8.6597  331.268 8.8253  6.602020       12.36438 
1 1 1 -2  -13 5  o 214.001 4.0920  6140.76   234.552   6114.35   331.568   6167.21   331.846   213.540 5.7970  214.462 5.7769  -0.9219208     8.184049 
1 1 1 -2  -13 6  o 476.289 8.7642  30550.56  1118.07   30716.88  1581.09   30384.20  1581.29   477.592 12.360  474.984 12.429  2.608063       17.52846 
1 1 1 -2  -13 7  o 89.539  3.0635  1120.35   67.626    1204.61   83.113    955.260   116.331   94.822  3.2724  84.256  5.1798  10.56581       6.126925 
1 1 1 -2  -13 8  o 454.386 8.3595  27794.53  1017.33   27409.41  1438.15   28180.26  1439.30   451.220 11.899  457.552 11.744  -6.331787      16.71894 
1 1 1 -2  -13 9  o 203.577 3.8908  5557.59   212.106   5691.95   299.825   5422.99   300.101   206.043 5.4328  201.110 5.5711  4.932724       7.781538 
1 1 1 -2  -13 10 o 267.569 5.0008  9607.99   358.336   9804.43   506.718   9411.47   506.809   270.310 6.9987  264.827 7.1448  5.483185       10.00150 
1 1 1 -2  -13 11 o 234.735 4.4325  7391.36   278.683   7362.64   393.949   7420.13   394.286   234.278 6.2780  235.192 6.2589  -0.9140167     8.864956 
1 1 1 -2  -13 12 o 24.185  2.0090  80.525    12.522    65.625    17.950    94.650    17.476    21.907  3.1495  26.464  2.4950  -4.556082      4.018020 
1 1 1 -2  -13 13 o 175.157 3.4373  4113.98   161.235   4206.44   228.258   4021.91   227.784   177.124 4.8113  173.191 4.9103  3.932907       6.874572 
1 1 1 -2  -13 14 o 68.111  1.8679  622.046   34.049    600.745   48.544    642.672   47.769    66.961  2.7066  69.260  2.5750  -2.298676      3.735809 
1 1 1 -2  -13 15 o 287.932 5.3845  11145.80  415.223   11339.83  588.008   10952.81  586.423   290.439 7.5586  285.424 7.6706  5.015289       10.76896 
1 1 1 -2  -13 16 o 196.895 3.8109  5203.43   200.960   5297.59   285.083   5110.43   283.325   198.668 5.3574  195.122 5.4211  3.546082       7.621726 
1 1 1 -2  -13 17 o 187.128 3.6656  4701.17   183.721   4699.02   260.791   4703.28   258.861   187.083 5.2044  187.172 5.1634  -0.8848572E-01 7.331188 
1 1 1 -2  -13 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -13 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -13 20 o 178.246 3.5600  4270.21   169.962   4301.44   241.227   4239.42   239.508   178.893 5.0344  177.599 5.0349  1.294266       7.120050 
1 1 1 -2  -13 21 o 98.179  2.3169  1293.69   60.900    1260.01   86.614    1326.62   85.646    96.911  3.3368  99.446  3.2154  -2.534645      4.633856 
1 1 1 -2  -13 22 o 36.727  1.8833  181.834   18.391    181.302   26.416    182.334   25.618    36.670  2.7087  36.784  2.6173  -0.1132164     3.766549 
1 1 1 -2  -13 23 o 92.724  2.2815  1153.70   56.663    1155.39   80.240    1152.01   80.026    92.792  3.2284  92.657  3.2245  0.1356506      4.562935 
1 1 1 -2  -13 24 o 115.976 2.6273  1806.34   81.611    1821.80   115.372   1790.86   115.460   116.474 3.6981  115.477 3.7329  0.9962158      5.254595 
1 1 1 -2  -13 25 o 73.042  2.1094  715.838   41.268    715.096   58.283    716.584   58.441    73.004  2.9806  73.080  2.9856  -0.7568359E-01 4.218764 
1 1 1 -2  -13 26 o 120.393 2.7174  1947.51   87.623    1958.91   123.598   1936.00   124.239   120.749 3.8215  120.036 3.8642  0.7125854      5.434706 
1 1 1 -2  -13 27 o 143.109 3.0578  2755.46   117.177   2816.12   165.139   2693.94   166.293   144.705 4.2607  141.513 4.3872  3.191864       6.115635 
1 1 1 -2  -13 28 o 107.332 2.5558  1548.35   73.458    1569.18   103.202   1526.96   104.583   108.069 3.5653  106.596 3.6630  1.473320       5.111638 
1 1 1 -2  -13 29 o 65.297  2.1147  572.278   36.977    555.926   51.728    589.365   52.878    64.343  3.0015  66.252  2.9798  -1.908180      4.229445 
1 1 1 -2  -13 30 o 131.317 2.9186  2324.40   102.611   2378.71   144.208   2268.69   146.037   132.886 4.0515  129.748 4.2022  3.137878       5.837227 
1 1 1 -2  -13 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -13 32 o 169.483 3.5541  3901.59   161.295   3968.38   226.742   3833.16   229.493   170.986 4.9509  167.979 5.1007  3.007309       7.108283 
1 1 1 -2  -13 33 o 94.448  2.4815  1206.89   62.670    1261.31   87.558    1149.71   89.740    96.663  3.3818  92.232  3.6326  4.431549       4.963086 
1 1 1 -2  -13 34 o 113.762 2.7400  1755.21   83.467    1703.54   116.534   1809.65   119.608   112.040 3.8832  115.483 3.8668  -3.443001      5.480071 
1 1 1 -2  -13 35 o 53.615  2.2188  392.022   31.590    417.990   43.814    363.908   45.588    55.520  2.9570  51.710  3.3088  3.809406       4.437558 
1 1 1 -2  -13 36 o 58.185  2.2279  460.535   34.570    451.642   47.883    470.217   49.961    57.608  3.1148  58.762  3.1862  -1.154404      4.455724 
1 1 1 -2  -13 37 o 71.753  2.2455  710.483   42.495    617.827   62.406    790.594   58.028    67.174  3.4804  76.332  2.8382  -9.157692      4.490921 
1 1 1 -2  -13 38 o 25.678  2.5415  96.937    15.948    72.439    24.980    113.792   20.720    22.528  4.2968  28.828  2.7155  -6.300158      5.082915 
1 1 1 -2  -13 39 o 45.208  2.1019  280.353   25.003    278.534   38.341    281.700   32.981    44.997  3.2021  45.419  2.7236  -0.4217224     4.203773 
1 1 1 -2  -13 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -13 41 o 15.079  3.1813  30.537    13.357    42.997    22.921    24.129    16.436    17.046  4.8105  13.111  4.1644  3.934562       6.362628 
1 1 1 -2  -13 42 o 18.910  3.0979  52.192    14.803    56.380    25.299    50.012    18.253    19.299  4.8886  18.521  3.8067  0.7783775      6.195900 
1 1 1 -2  -13 43 o 19.629  3.1484  54.910    15.645    72.022    26.646    45.909    19.326    21.758  4.7089  17.500  4.1804  4.258045       6.296793 
1 1 1 -2  -13 44 o 12.149  3.2146  18.492    13.443    19.528    23.802    18.007    16.289    12.703  4.9150  11.596  4.1446  1.107064       6.429264 
1 1 1 -2  -13 45 o 29.572  2.7065  120.945   20.135    168.052   34.704    97.042    24.721    33.572  3.9339  25.572  3.7182  8.000782       5.413028 
1 1 1 -2  -13 46 o 15.979  3.4370  39.078    15.123    49.719    27.213    34.324    18.191    17.196  5.3441  14.762  4.3233  2.433874       6.873931 
1 1 1 -2  -13 47 o 14.817  3.5184  36.771    16.760    23.696    30.201    42.590    20.148    13.399  5.4225  16.235  4.4847  -2.836420      7.036724 
1 1 1 -2  -13 48 o 10.090  2.9551  2.3535    15.538    -38.0358  26.954    22.456    19.016    7.9346  3.8728  12.246  4.4644  -4.311254      5.910135 
1 1 1 -2  -13 49 o 7.9848  2.7092  -18.0513  13.354    -5.3169   27.462    -21.9949  15.283    9.8707  4.5365  6.0988  2.9631  3.771915       5.418472 
1 1 1 -2  -12 1  o 450.539 8.2841  27310.36  999.594   26860.77  1413.74   27759.82  1413.54   446.814 11.813  454.264 11.617  -7.450317      16.56828 
1 1 1 -2  -12 2  o 237.091 4.5216  7539.37   287.033   7795.59   406.514   7284.63   405.339   241.113 6.2946  233.068 6.4930  8.045227       9.043280 
1 1 1 -2  -12 3  o 322.633 6.0203  13976.22  519.964   14529.79  735.978   13424.55  734.705   329.027 8.3511  316.238 8.6738  12.78842       12.04060 
1 1 1 -2  -12 4  o 574.971 10.547  44575.36  1624.26   44383.00  2296.89   44767.77  2297.21   573.722 14.947  576.220 14.884  -2.497864      21.09373 
1 1 1 -2  -12 5  o 349.389 6.4712  16390.22  605.581   16268.79  856.166   16511.79  856.678   348.091 9.1828  350.687 9.1203  -2.596130      12.94232 
1 1 1 -2  -12 6  o 107.325 2.3714  1547.58   67.779    1348.12   95.347    1751.33   96.368    100.312 3.5487  114.338 3.1467  -14.02590      4.742881 
1 1 1 -2  -12 7  o 469.270 8.6228  29626.10  1083.82   29510.82  1532.40   29741.47  1533.11   468.353 12.215  470.187 12.173  -1.834015      17.24560 
1 1 1 -2  -12 8  o 319.241 5.9216  13679.29  506.301   13877.96  715.915   13480.50  716.121   321.565 8.3120  316.917 8.4363  4.648315       11.84313 
1 1 1 -2  -12 9  o 402.498 7.4295  21772.38  800.948   21941.57  1132.65   21603.16  1132.77   404.068 10.465  400.929 10.548  3.139099       14.85906 
1 1 1 -2  -12 10 o 444.940 8.1252  26627.58  968.312   26837.19  1369.43   26418.00  1369.37   446.699 11.446  443.182 11.536  3.517273       16.25043 
1 1 1 -2  -12 11 o 290.579 5.3828  11330.67  418.925   11471.57  592.530   11189.84  592.369   292.389 7.5659  288.769 7.6587  3.619720       10.76559 
1 1 1 -2  -12 12 o 159.935 3.1418  3428.10   134.590   3450.63   190.499   3405.64   190.178   160.460 4.4324  159.410 4.4541  1.050232       6.283698 
1 1 1 -2  -12 13 o 541.125 10.038  39523.82  1454.83   40161.74  2058.30   38886.97  2056.59   545.521 14.087  536.729 14.305  8.791687       20.07688 
1 1 1 -2  -12 14 o 184.615 3.6168  4570.02   178.831   4518.30   253.529   4621.23   252.284   183.574 5.1562  185.656 5.0733  -2.082642      7.233584 
1 1 1 -2  -12 15 o 145.717 2.9671  2845.99   115.801   2865.28   164.585   2827.07   162.962   146.206 4.2028  145.228 4.1893  0.9777527      5.934131 
1 1 1 -2  -12 16 o 242.625 4.5810  7902.99   297.699   7952.68   422.025   7853.77   420.001   243.385 6.4738  241.865 6.4832  1.519135       9.161932 
1 1 1 -2  -12 17 o 175.756 3.4921  4145.48   164.337   4048.58   233.391   4240.76   231.437   173.714 5.0160  177.799 4.8598  -4.084808      6.984123 
1 1 1 -2  -12 18 o 260.373 4.9427  9117.62   344.704   9150.39   488.476   9085.12   486.501   260.839 6.9917  259.907 6.9884  0.9314575      9.885407 
1 1 1 -2  -12 19 f 65.960  2.7164  583.617   47.384    692.209   69.218    487.852   65.001    71.753  3.6131  60.167  4.0571  11.58649       5.432765 
1 1 1 -2  -12 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -12 21 o 105.436 2.4414  1491.45   68.943    1474.17   97.625    1508.65   97.375    104.825 3.4770  106.046 3.4282  -1.221329      4.882832 
1 1 1 -2  -12 22 o 62.865  1.9508  529.939   32.845    538.912   46.517    521.018   46.383    63.397  2.7394  62.334  2.7781  1.062492       3.901520 
1 1 1 -2  -12 23 o 245.350 4.7395  8126.00   311.453   8047.71   440.157   8204.52   440.764   244.158 6.7305  246.541 6.6746  -2.383423      9.478954 
1 1 1 -2  -12 24 o 50.897  1.9413  348.849   26.325    370.335   37.166    327.216   37.292    52.484  2.6525  49.310  2.8354  3.173088       3.882686 
1 1 1 -2  -12 25 o 263.007 5.0685  9361.25   357.052   9401.01   504.349   9321.30   505.549   263.576 7.1439  262.438 7.1920  1.138031       10.13707 
1 1 1 -2  -12 26 o 71.242  2.1371  681.494   40.753    697.294   57.037    665.016   58.248    72.090  2.9539  70.395  3.0892  1.694458       4.274193 
1 1 1 -2  -12 27 o 185.247 3.7357  4624.69   185.352   4638.04   261.163   4611.13   263.102   185.522 5.2557  184.971 5.3104  0.5510254      7.471456 
1 1 1 -2  -12 28 o 65.660  2.1314  578.849   37.466    585.592   52.361    571.775   53.631    66.055  2.9595  65.266  3.0679  0.7891235      4.262702 
1 1 1 -2  -12 29 o 66.031  2.1335  585.361   37.720    584.132   52.636    586.658   54.083    65.962  2.9792  66.101  3.0547  -0.1383209     4.266937 
1 1 1 -2  -12 30 o 59.867  2.1155  481.236   33.822    450.774   46.864    514.351   48.862    57.850  3.0350  61.885  2.9478  -4.034523      4.230952 
1 1 1 -2  -12 31 o 108.420 5.1689  1591.54   150.107   0.0000    0.0000    1591.54   150.107   ?       ?       108.420 5.1689  ?              ?        
1 1 1 -2  -12 32 o 115.532 2.7376  1801.34   84.686    1802.05   118.218   1800.59   121.372   115.568 3.8191  115.497 3.9234  0.7048798E-01  5.475228 
1 1 1 -2  -12 33 o 119.314 2.8079  1926.37   89.706    1941.37   125.550   1910.73   128.218   119.806 3.9125  118.822 4.0287  0.9846191      5.615844 
1 1 1 -2  -12 34 o 70.049  2.2496  661.575   42.169    624.464   58.410    701.970   60.941    67.996  3.2072  72.102  3.1555  -4.106003      4.499256 
1 1 1 -2  -12 35 o 27.943  2.1977  106.165   15.972    111.485   24.821    102.405   20.867    28.502  3.3130  27.384  2.8885  1.118404       4.395418 
1 1 1 -2  -12 36 o 45.861  1.9841  282.262   24.108    319.652   36.565    253.510   32.064    48.521  2.8257  43.201  2.7859  5.320164       3.968101 
1 1 1 -2  -12 37 o 52.961  2.0800  383.150   29.092    372.444   44.014    391.456   38.769    52.233  3.1608  53.689  2.7046  -1.455894      4.160001 
1 1 1 -2  -12 38 o 45.480  2.1420  286.323   25.457    261.260   38.845    305.191   33.704    43.602  3.3518  47.358  2.6679  -3.755825      4.283920 
1 1 1 -2  -12 39 o 44.923  2.1773  283.182   25.268    244.207   38.948    311.509   33.205    42.028  3.4915  47.818  2.6023  -5.790268      4.354609 
1 1 1 -2  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -12 41 o 22.461  2.8493  71.763    16.187    77.514    25.968    68.109    20.701    23.075  4.3614  21.847  3.6677  1.228336       5.698594 
1 1 1 -2  -12 42 o 36.717  2.5082  196.742   23.055    165.584   36.971    216.566   29.491    33.885  4.1609  39.549  2.8021  -5.663860      5.016461 
1 1 1 -2  -12 43 o 26.978  2.7469  100.780   18.722    127.955   31.422    85.821    23.313    29.606  4.0701  24.351  3.6899  5.254427       5.493712 
1 1 1 -2  -12 44 o 28.897  2.8142  125.109   20.132    115.367   33.000    130.884   25.407    27.506  4.6446  30.289  3.1792  -2.783384      5.628464 
1 1 1 -2  -12 45 o 17.457  3.4584  47.689    16.342    53.830    27.203    44.222    20.441    18.119  5.2813  16.794  4.4667  1.325647       6.916849 
1 1 1 -2  -12 46 o 14.261  3.4464  27.097    14.896    47.575    27.455    18.555    17.732    16.856  5.3853  11.667  4.3023  5.189733       6.892823 
1 1 1 -2  -12 47 o 14.900  3.1920  38.381    16.135    3.5469    29.347    53.473    19.317    11.260  4.9700  18.541  4.0067  -7.280853      6.383914 
1 1 1 -2  -12 48 o 12.736  3.5107  23.210    16.709    19.811    29.913    24.751    20.145    12.755  5.3038  12.716  4.6012  0.3924274E-01  7.021492 
1 1 1 -2  -12 49 o 22.389  3.6842  92.136    20.604    82.011    37.568    96.491    24.640    20.026  6.2882  24.753  3.8410  -4.727087      7.368462 
1 1 1 -2  -11 1  o 396.129 7.3106  21079.85  775.646   21296.71  1097.56   20863.49  1096.29   398.170 10.291  394.088 10.386  4.081635       14.62119 
1 1 1 -2  -11 2  f 356.796 6.6173  17091.94  632.350   17338.46  894.801   16846.00  893.755   359.372 9.2959  354.220 9.4201  5.151947       13.23454 
1 1 1 -2  -11 3  o 156.579 3.1383  3285.50   131.602   3351.58   186.230   3219.59   185.997   158.153 4.3963  155.006 4.4799  3.147034       6.276672 
1 1 1 -2  -11 4  o 342.789 6.3551  15774.01  583.417   16083.35  825.197   15464.86  824.956   346.158 8.9001  339.422 9.0741  6.735962       12.71026 
1 1 1 -2  -11 5  o 382.273 7.0912  19626.57  726.063   19495.57  1026.46   19757.74  1027.15   380.994 10.059  383.553 9.9981  -2.559692      14.18232 
1 1 1 -2  -11 6  o 354.892 6.5834  16909.60  625.766   16697.26  884.569   17122.32  885.365   352.657 9.3646  357.128 9.2557  -4.470856      13.16679 
1 1 1 -2  -11 7  o 479.815 8.8126  30969.59  1132.56   31151.35  1601.56   30787.78  1601.79   481.230 12.425  478.401 12.500  2.829285       17.62515 
1 1 1 -2  -11 8  o 129.422 2.6540  2244.11   92.002    2226.33   129.854   2262.02   130.368   128.907 3.7609  129.936 3.7458  -1.029251      5.308074 
1 1 1 -2  -11 9  o 204.942 3.9431  5630.22   216.443   5673.79   305.992   5586.58   306.201   205.737 5.5528  204.148 5.5998  1.588837       7.886123 
1 1 1 -2  -11 10 o 119.613 2.5546  1916.89   81.839    1939.25   115.754   1894.54   115.722   120.311 3.5921  118.915 3.6332  1.395691       5.109113 
1 1 1 -2  -11 11 o 566.738 10.408  43299.93  1579.78   43854.51  2234.69   42745.89  2233.60   570.388 14.627  563.087 14.809  7.301270       20.81519 
1 1 1 -2  -11 12 o 276.366 5.2476  10246.70  388.435   10351.95  549.797   10141.81  548.864   277.784 7.3893  274.947 7.4529  2.837921       10.49517 
1 1 1 -2  -11 13 o 231.422 4.4353  7181.76   274.917   7273.53   389.569   7090.72   388.018   232.896 6.2450  229.948 6.2999  2.948013       8.870684 
1 1 1 -2  -11 14 o 550.389 10.142  40869.25  1495.19   40770.27  2115.29   40968.09  2113.76   549.716 14.366  551.061 14.321  -1.344788      20.28480 
1 1 1 -2  -11 15 o 259.105 4.9446  9010.09   343.097   8830.38   486.030   9188.60   484.400   256.524 7.0737  261.687 6.9109  -5.163361      9.889256 
1 1 1 -2  -11 16 o 141.445 2.9088  2680.96   110.173   2768.34   156.894   2595.96   154.744   143.719 4.0757  139.171 4.1512  4.548447       5.817581 
1 1 1 -2  -11 17 o 263.161 4.9965  9301.07   352.172   9214.52   498.813   9387.10   497.282   261.935 7.1098  264.386 7.0222  -2.450745      9.993027 
1 1 1 -2  -11 18 o 140.925 2.9219  2662.73   110.285   2704.75   156.551   2621.33   155.389   142.029 4.1152  139.821 4.1492  2.208725       5.843815 
1 1 1 -2  -11 19 o 115.015 2.5619  1773.77   78.916    1752.03   111.781   1795.38   111.427   114.311 3.6508  115.719 3.5950  -1.407692      5.123716 
1 1 1 -2  -11 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -11 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -11 22 o 218.423 4.2535  6424.11   248.832   6340.72   351.439   6507.95   352.366   216.995 6.0466  219.850 5.9838  -2.855240      8.506902 
1 1 1 -2  -11 23 o 50.797  1.9131  347.781   25.841    384.246   36.425    310.833   36.665    53.535  2.5402  48.058  2.8613  5.476910       3.826217 
1 1 1 -2  -11 24 o 142.613 3.0140  2732.71   115.125   2687.35   162.083   2778.89   163.550   141.417 4.2790  143.810 4.2459  -2.392227      6.028097 
1 1 1 -2  -11 25 f 182.434 3.6540  4480.57   178.536   4402.77   251.487   4559.62   253.502   180.833 5.1922  184.035 5.1427  -3.202103      7.307953 
1 1 1 -2  -11 26 f 216.976 4.2701  6355.04   248.084   6513.07   349.955   6195.40   351.740   219.713 5.9466  214.239 6.1296  5.474594       8.540162 
1 1 1 -2  -11 27 o 287.871 5.5021  11246.17  424.143   10939.31  598.360   11556.05  601.307   283.881 7.8693  291.861 7.6919  -7.979828      11.00413 
1 1 1 -2  -11 28 o 126.748 2.8330  2160.06   96.149    2182.52   134.761   2136.78   137.223   127.426 3.9484  126.070 4.0637  1.356171       5.665997 
1 1 1 -2  -11 29 o 125.814 2.8128  2129.21   94.759    2151.38   132.760   2106.18   135.295   126.490 3.9185  125.138 4.0365  1.351067       5.625661 
1 1 1 -2  -11 30 o 87.307  2.3348  1023.59   54.579    998.625   75.927    1050.28   78.511    86.208  3.2882  88.407  3.3156  -2.199196      4.669608 
1 1 1 -2  -11 31 o 65.943  2.1871  587.435   38.405    632.053   53.560    540.214   55.100    68.586  2.9155  63.299  3.2609  5.287277       4.374198 
1 1 1 -2  -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -11 33 o 46.906  2.0142  294.760   25.068    322.646   37.764    272.794   33.517    48.873  2.8978  44.939  2.7984  3.934086       4.028456 
1 1 1 -2  -11 34 o 60.139  2.0256  484.765   32.499    517.290   48.671    458.596   43.657    61.940  2.9337  58.338  2.7939  3.601402       4.051230 
1 1 1 -2  -11 35 f 117.313 2.7043  1870.60   84.880    1867.25   122.921   1873.65   117.349   117.171 3.9167  117.455 3.7301  -0.2842407     5.408673 
1 1 1 -2  -11 36 o 55.911  2.0301  418.168   30.146    477.459   45.842    372.993   40.015    59.396  2.8815  52.426  2.8604  6.969738       4.060121 
1 1 1 -2  -11 37 o 45.268  2.0780  278.181   24.797    286.215   38.130    272.293   32.643    45.784  3.1280  44.753  2.7364  1.030975       4.155985 
1 1 1 -2  -11 38 o 15.722  2.9675  34.527    12.432    39.014    20.339    31.850    15.709    16.498  4.4849  14.946  3.8873  1.552500       5.935081 
1 1 1 -2  -11 39 o 21.966  2.8060  70.574    15.380    59.813    24.476    77.595    19.771    20.315  4.6044  23.617  3.2084  -3.302485      5.612020 
1 1 1 -2  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -11 41 o 76.786  2.3414  815.933   47.774    812.234   72.086    818.831   63.795    76.473  3.5193  77.099  3.0892  -0.6268158     4.682814 
1 1 1 -2  -11 42 o 7.8293  2.5495  -12.3856  11.753    -4.9348   19.691    -16.5097  14.649    9.0912  4.0389  6.5674  3.1124  2.523761       5.099031 
1 1 1 -2  -11 43 o 46.135  2.2865  297.241   27.555    312.030   43.715    287.492   35.494    46.887  3.5062  45.382  2.9357  1.505596       4.572967 
1 1 1 -2  -11 44 o 51.592  2.2940  373.634   30.993    402.672   49.234    354.573   39.889    53.009  3.4871  50.175  2.9815  2.834278       4.587929 
1 1 1 -2  -11 45 o 28.941  3.0014  131.377   20.742    111.479   35.081    142.073   25.720    26.396  5.1468  31.486  3.0896  -5.089977      6.002885 
1 1 1 -2  -11 46 o 19.095  3.4605  59.233    17.184    59.051    29.650    59.325    21.087    18.625  5.5369  19.565  4.1524  -0.9399681     6.920933 
1 1 1 -2  -11 47 o 27.423  3.2428  119.882   21.266    116.006   37.323    121.745   25.877    26.167  5.4999  28.678  3.4373  -2.511896      6.485640 
1 1 1 -2  -11 48 o 18.040  3.5861  60.010    18.970    37.094    33.086    71.232    23.154    14.924  5.7892  21.155  4.2340  -6.230582      7.172281 
1 1 1 -2  -11 49 o 22.767  3.6364  85.232    20.295    111.155   37.140    74.197    24.233    24.386  5.7752  21.148  4.4204  3.238016       7.272719 
1 1 1 -2  -10 1  o 312.925 5.8267  13140.79  488.253   13496.16  691.176   12786.82  689.815   317.156 8.1363  308.694 8.3429  8.461853       11.65344 
1 1 1 -2  -10 2  o 293.793 5.4667  11585.93  429.744   12211.04  608.559   10964.14  606.943   301.715 7.5304  285.871 7.9266  15.84393       10.93333 
1 1 1 -2  -10 3  o 308.004 5.7325  12728.97  472.923   12697.83  668.791   12760.12  668.836   307.627 8.1166  308.382 8.0973  -0.7549133     11.46502 
1 1 1 -2  -10 4  o 425.888 7.8390  24377.75  894.226   24435.24  1264.48   24320.24  1264.77   426.393 11.072  425.384 11.100  1.008453       15.67809 
1 1 1 -2  -10 5  o 294.954 5.4925  11674.35  433.736   11268.07  612.836   12082.12  613.956   289.802 7.8950  300.105 7.6379  -10.30307      10.98495 
1 1 1 -2  -10 6  f 629.949 11.572  53561.82  1952.50   53595.34  2761.03   53528.30  2761.48   630.148 16.358  629.750 16.371  0.3981323      23.14340 
1 1 1 -2  -10 7  o 496.120 9.0787  33123.05  1206.40   33310.01  1705.99   32936.03  1706.23   497.527 12.802  494.713 12.876  2.814667       18.15731 
1 1 1 -2  -10 8  o 578.056 10.596  45045.13  1640.62   45267.32  2320.18   44822.95  2320.18   579.491 14.948  576.621 15.023  2.869995       21.19251 
1 1 1 -2  -10 9  o 181.653 3.5706  4423.26   173.685   4543.23   245.684   4303.40   245.570   184.118 4.9819  179.189 5.1165  4.929214       7.141288 
1 1 1 -2  -10 10 o 407.415 7.5238  22306.84  820.800   22946.87  1161.38   21668.10  1160.20   413.274 10.492  401.557 10.787  11.71707       15.04769 
1 1 1 -2  -10 11 o 293.763 5.5005  11578.39  432.741   11815.44  612.537   11342.19  611.442   296.770 7.7059  290.756 7.8512  6.013550       11.00104 
1 1 1 -2  -10 12 o 278.253 5.2638  10387.32  392.198   10691.07  555.566   10085.56  553.743   282.315 7.3471  274.192 7.5399  8.122894       10.52754 
1 1 1 -2  -10 13 f 292.984 5.4671  11516.96  429.030   11534.91  607.614   11499.11  605.869   293.211 7.7368  292.756 7.7265  0.4546814      10.93418 
1 1 1 -2  -10 14 o 337.146 6.2798  15261.42  567.086   15365.59  803.055   15157.81  800.911   338.296 8.8626  335.997 8.8994  2.298553       12.55963 
1 1 1 -2  -10 15 o 318.241 5.9595  13597.73  507.957   13452.69  719.177   13742.12  717.544   316.542 8.4823  319.940 8.3732  -3.397217      11.91891 
1 1 1 -2  -10 16 o 179.856 3.5570  4336.67   171.349   4312.54   243.021   4360.52   241.634   179.358 5.0586  180.355 5.0020  -0.9968262     7.114043 
1 1 1 -2  -10 17 o 162.109 3.2653  3523.11   141.769   3477.53   200.723   3568.48   200.262   161.061 4.6528  163.156 4.5825  -2.094986      6.530573 
1 1 1 -2  -10 18 o 290.676 5.4770  11354.42  426.414   11426.01  603.148   11282.88  602.933   291.595 7.7224  289.757 7.7687  1.837952       10.95391 
1 1 1 -2  -10 19 o 132.632 2.8253  2358.82   100.346   2293.84   141.619   2424.33   142.204   130.796 4.0424  134.468 3.9482  -3.672333      5.650624 
1 1 1 -2  -10 20 o 95.356  2.2986  1218.90   58.708    1207.45   82.773    1230.50   83.282    94.905  3.2562  95.807  3.2453  -0.9021912     4.597285 
1 1 1 -2  -10 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -10 22 f 121.552 2.6836  1982.68   87.366    1984.81   122.997   1980.51   124.119   121.619 3.7758  121.484 3.8144  0.1345215      5.367138 
1 1 1 -2  -10 23 o 95.927  2.3402  1235.67   60.072    1284.44   84.395    1185.57   85.526    97.852  3.2200  94.002  3.3968  3.849976       4.680496 
1 1 1 -2  -10 24 o 119.242 2.6703  1909.25   85.271    1923.38   119.712   1894.70   121.490   119.693 3.7341  118.791 3.8183  0.9023438      5.340638 
1 1 1 -2  -10 25 o 115.656 2.6369  1797.46   81.630    1851.56   114.574   1741.68   116.331   117.432 3.6426  113.880 3.8138  3.551483       5.273862 
1 1 1 -2  -10 26 o 144.336 3.0793  2801.05   119.036   2811.49   167.354   2790.35   169.350   144.613 4.3206  144.060 4.3889  0.5534058      6.158690 
1 1 1 -2  -10 27 o 109.124 2.5655  1599.30   74.966    1599.09   104.814   1599.52   107.265   109.120 3.5861  109.128 3.6697  -0.7591248E-02 5.131009 
1 1 1 -2  -10 28 o 55.625  2.1513  420.640   31.588    473.405   43.604    362.367   45.823    59.404  2.7404  51.847  3.3171  7.557293       4.302662 
1 1 1 -2  -10 29 o 81.735  2.2773  897.218   49.827    902.754   69.429    891.338   71.550    81.999  3.1611  81.471  3.2788  0.5279312      4.554503 
1 1 1 -2  -10 30 o 81.261  2.2835  886.356   49.682    860.500   69.090    914.044   71.494    80.035  3.2229  82.486  3.2359  -2.451447      4.567080 
1 1 1 -2  -10 31 o 143.505 3.0558  2776.36   117.428   2798.44   168.298   2755.41   163.923   144.052 4.3619  142.958 4.2810  1.093628       6.111686 
1 1 1 -2  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -10 33 o 44.748  2.0754  275.535   24.220    239.604   36.561    303.634   32.332    42.040  3.2727  47.456  2.5530  -5.415878      4.150723 
1 1 1 -2  -10 34 o 64.617  2.0662  561.345   35.631    579.436   53.020    546.446   48.116    65.550  3.0198  63.684  2.8208  1.865379       4.132309 
1 1 1 -2  -10 35 o 17.403  2.7424  43.815    12.137    37.691    20.027    47.370    15.258    16.351  4.4527  18.456  3.2027  -2.105862      5.484817 
1 1 1 -2  -10 36 o 66.040  2.1266  592.891   37.325    570.853   55.783    610.755   50.224    64.874  3.2103  67.207  2.7900  -2.333038      4.253259 
1 1 1 -2  -10 37 f 20.091  2.6787  54.823    13.551    66.745    22.368    47.910    17.033    21.745  3.9873  18.437  3.5782  3.308519       5.357371 
1 1 1 -2  -10 38 o 32.495  2.2458  146.123   18.789    140.877   29.781    149.592   24.218    31.899  3.5456  33.090  2.7575  -1.191595      4.491645 
1 1 1 -2  -10 39 o 37.944  2.1378  193.192   21.257    225.188   33.602    171.844   27.447    40.489  3.1224  35.398  2.9209  5.091175       4.275684 
1 1 1 -2  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -10 41 o 16.973  3.1159  39.172    13.978    56.355    23.564    29.842    17.363    19.554  4.5796  14.392  4.2264  5.161845       6.231760 
1 1 1 -2  -10 42 o 23.502  2.8849  78.129    17.091    90.256    27.997    70.925    21.578    24.818  4.3714  22.187  3.7657  2.630941       5.769701 
1 1 1 -2  -10 43 o 15.397  3.3273  32.458    14.584    48.166    24.871    24.226    18.004    17.704  5.0161  13.089  4.3729  4.614781       6.654577 
1 1 1 -2  -10 44 o 17.457  3.4185  46.429    15.749    50.439    28.046    44.582    19.033    17.780  5.4078  17.135  4.1834  0.6446953      6.836990 
1 1 1 -2  -10 45 o 12.534  3.2692  21.655    14.315    14.434    25.209    25.092    17.390    12.075  4.9290  12.994  4.2960  -0.9183750     6.538377 
1 1 1 -2  -10 46 o 27.144  2.9542  104.899   19.842    141.178   35.090    87.846    24.058    30.151  4.4812  24.136  3.8508  6.015234       5.908478 
1 1 1 -2  -10 47 f 16.342  4.3888  43.211    27.458    23.274    38.072    64.824    39.639    14.027  5.9178  18.657  6.4826  -4.630456      8.777539 
1 1 1 -2  -10 48 o 17.221  3.3587  55.370    17.882    21.041    31.904    71.096    21.593    13.064  5.4585  21.379  3.9152  -8.315109      6.717443 
1 1 1 -2  -10 49 o 25.202  3.4406  101.114   20.987    132.529   38.381    87.715    25.066    27.131  5.4703  23.273  4.1744  3.858063       6.881141 
1 1 1 -2  -9  1  o 205.294 3.9846  5649.66   219.103   5630.16   310.161   5669.09   309.556   204.940 5.6503  205.648 5.6199  -0.7083588     7.969232 
1 1 1 -2  -9  2  o 171.589 3.3883  3946.15   155.699   4035.71   220.411   3856.93   219.974   173.534 4.7420  169.644 4.8411  3.889694       6.776608 
1 1 1 -2  -9  3  o 445.549 8.1857  26693.47  976.877   26792.01  1381.52   26594.94  1381.51   446.374 11.555  444.723 11.598  1.651337       16.37147 
1 1 1 -2  -9  4  o 194.749 3.7416  5084.59   195.125   5212.94   275.860   4956.08   276.037   197.211 5.2224  192.287 5.3595  4.924255       7.483182 
1 1 1 -2  -9  5  o 317.260 5.9018  13508.93  501.507   13615.97  709.111   13401.81  709.365   318.520 8.3117  315.999 8.3810  2.520386       11.80359 
1 1 1 -2  -9  6  o 142.954 2.8740  2738.24   110.047   2729.10   155.416   2747.42   155.843   142.715 4.0657  143.193 4.0633  -0.4780731     5.748064 
1 1 1 -2  -9  7  o 295.617 5.4939  11725.28  435.005   11789.63  615.056   11660.87  615.323   296.430 7.7465  294.803 7.7926  1.626465       10.98781 
1 1 1 -2  -9  8  o 722.246 13.320  70622.81  2576.45   72065.02  3644.66   69182.22  3642.62   729.695 18.648  714.797 19.026  14.89740       26.64058 
1 1 1 -2  -9  9  o 401.729 7.3743  21684.64  793.492   21611.36  1122.19   21757.92  1122.14   401.048 10.447  402.410 10.411  -1.362030      14.74866 
1 1 1 -2  -9  10 o 552.595 10.167  41151.96  1504.63   41943.24  2128.82   40362.09  2126.93   557.935 14.245  547.255 14.510  10.67963       20.33394 
1 1 1 -2  -9  11 o 247.836 4.6551  8236.60   309.000   8353.14   437.748   8120.87   436.238   249.585 6.5481  246.087 6.6183  3.497864       9.310191 
1 1 1 -2  -9  12 o 576.870 10.648  44868.00  1645.10   44108.12  2326.75   45627.59  2326.30   571.952 15.188  581.787 14.928  -9.834656      21.29634 
1 1 1 -2  -9  13 o 598.208 11.043  48275.25  1769.22   47335.42  2502.20   49214.87  2501.92   592.343 15.771  604.073 15.463  -11.73029      22.08688 
1 1 1 -2  -9  14 o 128.213 2.7129  2202.67   93.157    2189.74   132.458   2215.31   131.040   127.840 3.8683  128.586 3.8047  -0.7452927     5.425842 
1 1 1 -2  -9  15 o 452.409 8.3557  27534.58  1012.46   27214.22  1432.04   27854.75  1431.63   449.766 11.887  455.053 11.746  -5.286499      16.71133 
1 1 1 -2  -9  16 f 734.166 13.561  73121.61  2666.16   71537.82  3769.43   74707.23  3771.61   726.110 19.381  742.222 18.972  -16.11194      27.12120 
1 1 1 -2  -9  17 o 143.223 2.9873  2749.10   114.596   2732.16   161.908   2766.12   162.219   142.780 4.2336  143.665 4.2156  -0.8851013     5.974518 
1 1 1 -2  -9  18 o 369.443 6.8740  18362.70  680.207   18466.95  961.716   18258.36  962.199   370.497 9.6911  368.388 9.7515  2.108765       13.74803 
1 1 1 -2  -9  19 o 130.922 2.7948  2297.96   97.997    2320.30   138.194   2275.35   138.987   131.563 3.9216  130.281 3.9829  1.282547       5.589524 
1 1 1 -2  -9  20 o 179.660 3.5910  4331.73   172.803   4305.36   243.714   4358.39   245.051   179.110 5.0801  180.210 5.0768  -1.100067      7.181990 
1 1 1 -2  -9  21 o 244.110 4.6885  8018.06   306.526   8133.75   432.844   7901.68   434.144   245.886 6.5722  242.334 6.6885  3.552704       9.377089 
1 1 1 -2  -9  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -9  23 o 218.265 4.2591  6415.18   248.970   6293.37   351.130   6538.35   353.072   216.173 6.0643  220.357 5.9820  -4.183731      8.518196 
1 1 1 -2  -9  24 o 81.544  2.1836  893.353   47.616    937.723   66.731    847.330   67.963    83.614  2.9796  79.473  3.1927  4.141014       4.367122 
1 1 1 -2  -9  25 o 189.628 3.8124  4842.30   193.624   4882.90   272.975   4801.19   274.685   190.435 5.3516  188.820 5.4312  1.615280       7.624850 
1 1 1 -2  -9  26 o 53.039  1.9991  378.663   28.270    384.780   39.330    372.125   40.662    53.490  2.7545  52.589  2.8979  0.9013138      3.998123 
1 1 1 -2  -9  27 o 138.528 3.0203  2581.31   112.008   2654.72   157.544   2506.28   159.276   140.531 4.1854  136.525 4.3556  4.006424       6.040644 
1 1 1 -2  -9  28 o 112.274 2.6352  1693.33   79.233    1688.88   111.019   1697.95   113.115   112.126 3.6966  112.421 3.7565  -0.2948303     5.270314 
1 1 1 -2  -9  29 o 211.000 4.1634  6014.23   235.261   5958.25   334.665   6068.92   330.788   210.010 5.9495  211.989 5.8257  -1.979248      8.326779 
1 1 1 -2  -9  30 o 90.994  2.3113  1110.54   56.280    1152.42   81.788    1072.88   77.562    92.619  3.2969  89.370  3.2402  3.248695       4.622587 
1 1 1 -2  -9  31 o 41.041  1.9946  223.155   21.511    279.347   32.766    180.592   28.517    45.533  2.6987  36.549  2.9378  8.984478       3.989222 
1 1 1 -2  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -9  33 o 103.113 2.4790  1430.49   68.383    1513.65   99.674    1356.55   93.991    105.935 3.5128  100.290 3.4990  5.644989       4.958076 
1 1 1 -2  -9  34 o 48.702  2.0615  325.270   26.312    287.177   39.604    355.374   35.206    46.017  3.2337  51.387  2.5579  -5.370514      4.123038 
1 1 1 -2  -9  35 o 54.493  2.0564  402.684   29.706    392.162   44.552    411.107   39.860    53.775  3.1064  55.211  2.6954  -1.435848      4.112788 
1 1 1 -2  -9  36 o 70.562  2.1333  667.751   40.124    754.686   60.227    598.375   53.802    74.653  3.0120  66.471  3.0219  8.181526       4.266628 
1 1 1 -2  -9  37 o 15.911  2.7132  29.564    12.063    63.759    20.570    11.641    14.892    21.303  3.7415  10.519  3.9301  10.78385       5.426301 
1 1 1 -2  -9  38 o 61.297  2.1355  509.344   34.754    532.458   52.790    491.663   46.172    62.433  3.1672  60.160  2.8654  2.272621       4.271009 
1 1 1 -2  -9  39 o 32.429  2.2889  141.976   19.313    163.389   30.777    128.068   24.804    34.374  3.3867  30.484  3.0801  3.890396       4.577865 
1 1 1 -2  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -9  41 o 30.576  2.5134  133.958   19.217    121.697   31.348    141.339   24.322    29.174  4.1269  31.979  2.8701  -2.805092      5.026833 
1 1 1 -2  -9  42 o 11.064  2.9184  12.988    12.522    -4.2969   21.022    22.495    15.590    9.4766  4.1934  12.651  4.0598  -3.174621      5.836708 
1 1 1 -2  -9  43 o 18.563  3.2737  52.545    15.657    50.544    27.030    53.556    19.208    18.059  5.2647  19.068  3.8927  -1.008440      6.547494 
1 1 1 -2  -9  44 o 10.055  2.9853  5.1831    12.484    9.1696    23.250    3.5679    14.799    11.270  4.6802  8.8397  3.7073  2.430553       5.970647 
1 1 1 -2  -9  45 o 28.346  2.9139  118.845   20.279    127.591   35.182    114.494   24.816    28.620  4.7564  28.072  3.3676  0.5478382      5.827893 
1 1 1 -2  -9  46 o 11.463  3.1673  15.505    14.580    -4.5388   27.439    23.391    17.211    10.368  4.6743  12.558  4.2752  -2.189454      6.334548 
1 1 1 -2  -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -9  48 o 21.928  3.5554  72.300    19.569    116.218   35.300    52.814    23.513    26.150  5.2226  17.707  4.8258  8.442984       7.110867 
1 1 1 -2  -9  49 o 10.856  3.2574  11.735    16.269    -5.7457   31.709    17.981    18.954    10.430  4.8224  11.283  4.3804  -0.8531685     6.514885 
1 1 1 -2  -8  1  o 474.705 10.758  30479.18  1287.74   30646.36  1577.62   30145.41  2229.11   477.240 12.342  472.170 17.626  5.069214       21.51695 
1 1 1 -2  -8  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  7  o 373.823 9.7313  18840.22  973.108   17683.81  1372.80   20008.11  1379.59   362.222 14.150  385.425 13.364  -23.20221      19.46264 
1 1 1 -2  -8  8  o 411.995 7.5554  22816.96  833.595   23338.03  1179.35   22296.72  1178.41   416.712 10.566  407.277 10.802  9.434998       15.11074 
1 1 1 -2  -8  9  o 160.416 3.1542  3448.54   135.511   3514.67   191.996   3382.89   191.289   161.949 4.4261  158.883 4.4949  3.066528       6.308348 
1 1 1 -2  -8  10 o 233.549 4.4036  7313.92   275.438   7466.38   390.290   7162.64   388.770   235.976 6.1749  231.122 6.2800  4.854370       8.807281 
1 1 1 -2  -8  11 o 461.429 8.5507  28653.41  1056.18   27514.15  1493.64   29792.75  1493.69   452.211 12.331  470.647 11.849  -18.43628      17.10148 
1 1 1 -2  -8  12 o 208.963 4.0191  5853.44   224.947   5888.44   318.907   5818.79   317.346   209.585 5.6809  208.341 5.6868  1.243591       8.038159 
1 1 1 -2  -8  13 o 189.004 3.6950  4788.17   187.051   4752.88   265.040   4823.20   264.023   188.309 5.2548  189.699 5.1962  -1.389694      7.390078 
1 1 1 -2  -8  14 f 662.879 12.207  59372.33  2167.07   58226.92  3064.02   60518.75  3065.38   656.426 17.427  669.332 17.098  -12.90540      24.41404 
1 1 1 -2  -8  15 o 337.420 6.2946  15288.10  568.670   14782.72  803.742   15794.69  804.701   331.822 9.0432  343.018 8.7585  -11.19614      12.58930 
1 1 1 -2  -8  16 o 80.571  2.1126  870.291   45.540    917.189   64.389    823.352   64.417    82.745  2.9053  78.396  3.0677  4.348167       4.225107 
1 1 1 -2  -8  17 o 186.501 3.6832  4662.81   183.985   4622.52   259.732   4703.39   260.659   185.692 5.2221  187.311 5.1954  -1.618195      7.366306 
1 1 1 -2  -8  18 o 245.599 4.7008  8094.33   309.153   7862.43   436.416   8327.91   438.004   242.062 6.7311  249.136 6.5638  -7.074265      9.401612 
1 1 1 -2  -8  19 o 304.187 5.7343  12437.39  467.138   12165.01  659.733   12711.25  661.537   300.836 8.1875  307.538 8.0310  -6.701355      11.46868 
1 1 1 -2  -8  20 o 98.888  2.3492  1310.46   62.217    1293.13   87.341    1328.31   88.650    98.224  3.3198  99.551  3.3246  -1.326965      4.698318 
1 1 1 -2  -8  21 o 65.085  1.9620  567.835   34.193    572.181   47.876    563.310   48.851    65.340  2.7355  64.831  2.8133  0.5098495      3.923975 
1 1 1 -2  -8  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  23 o 142.836 3.0328  2739.92   116.018   2766.07   163.435   2713.36   164.719   143.526 4.2513  142.145 4.3264  1.380859       6.065588 
1 1 1 -2  -8  24 o 212.905 4.1862  6110.12   238.506   6396.90   336.783   5821.59   337.816   217.951 5.7690  207.859 6.0677  10.09219       8.372461 
1 1 1 -2  -8  25 o 25.429  2.1531  87.637    14.329    79.443    19.634    96.976    20.960    24.136  3.1094  26.723  2.9791  -2.587008      4.306157 
1 1 1 -2  -8  26 o 202.859 4.0197  5547.38   218.380   5635.16   308.065   5458.71   309.612   204.486 5.6246  201.232 5.7442  3.253815       8.039410 
1 1 1 -2  -8  27 f 201.582 3.9393  5477.38   212.529   5771.58   302.646   5191.15   298.519   206.948 5.4599  196.216 5.6800  10.73198       7.878656 
1 1 1 -2  -8  28 o 146.343 3.0729  2878.82   120.423   2955.44   172.400   2805.81   168.282   148.245 4.3418  144.442 4.3497  3.802277       6.145783 
1 1 1 -2  -8  29 o 154.761 3.2429  3225.74   134.342   3160.61   192.134   3288.04   187.913   153.215 4.6818  156.307 4.4884  -3.091812      6.485737 
1 1 1 -2  -8  30 o 94.491  2.3912  1202.11   60.359    1158.24   87.627    1241.72   83.261    92.834  3.5241  96.148  3.2330  -3.314087      4.782421 
1 1 1 -2  -8  31 o 63.011  2.0281  530.669   34.126    566.626   50.719    500.924   46.131    64.949  2.9155  61.074  2.8200  3.875633       4.056149 
1 1 1 -2  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  33 o 128.714 2.8639  2238.51   98.672    2269.48   142.533   2210.01   136.735   129.551 4.1076  127.877 3.9921  1.674492       5.727899 
1 1 1 -2  -8  34 o 48.837  2.0904  327.602   26.725    288.858   40.197    358.296   35.778    46.145  3.2734  51.530  2.6006  -5.384499      4.180727 
1 1 1 -2  -8  35 o 25.798  2.3149  86.695    15.038    127.069   24.329    61.732    19.131    30.524  3.0152  21.071  3.5133  9.452480       4.629757 
1 1 1 -2  -8  36 f 107.233 2.5644  1559.92   73.534    1658.37   107.765   1474.14   100.590   110.380 3.6450  104.086 3.6081  6.294769       5.128756 
1 1 1 -2  -8  37 o 26.066  2.3296  90.119    15.562    117.058   25.082    73.257    19.844    29.159  3.2676  22.974  3.3212  6.184860       4.659116 
1 1 1 -2  -8  38 o 17.801  2.8517  42.610    13.030    58.918    21.569    33.239    16.350    20.338  4.1009  15.264  3.9638  5.073692       5.703421 
1 1 1 -2  -8  39 o 47.371  2.1279  305.355   26.513    318.912   41.271    295.828   34.597    48.191  3.2158  46.551  2.7876  1.639587       4.255832 
1 1 1 -2  -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  41 o 27.351  2.5942  106.692   17.724    102.344   29.121    109.250   22.338    26.670  4.2168  28.031  3.0230  -1.361641      5.188465 
1 1 1 -2  -8  42 o 49.505  2.3161  343.816   29.779    335.800   47.229    349.106   38.367    48.781  3.6409  50.229  2.8636  -1.447895      4.632149 
1 1 1 -2  -8  43 o 28.044  2.6682  105.241   18.768    152.210   32.081    80.801    23.142    32.520  3.7519  23.568  3.7947  8.951502       5.336327 
1 1 1 -2  -8  44 o 21.269  3.2195  71.962    17.035    60.675    29.145    77.820    20.995    19.410  5.4057  23.129  3.4983  -3.718811      6.438974 
1 1 1 -2  -8  45 o 18.341  3.2872  56.514    16.068    40.011    28.303    64.364    19.519    15.863  5.4797  20.818  3.6326  -4.955701      6.574400 
1 1 1 -2  -8  46 o 11.294  3.1422  14.341    14.498    -3.2844   25.897    22.386    17.497    10.209  4.5769  12.379  4.3066  -2.170068      6.284497 
1 1 1 -2  -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -8  48 o 8.2909  2.6869  -11.2993  14.474    -57.8141  28.851    4.3440    16.731    7.4615  3.7091  9.1204  3.8885  -1.658841      5.373819 
1 1 1 -2  -8  49 o 9.5877  3.0719  0.0056    14.950    1.0018    30.075    -0.3214   17.230    10.677  4.8459  8.4985  3.7768  2.178487       6.143806 
1 1 1 -2  -7  1  o 170.046 3.3687  3875.46   153.427   3847.94   217.159   3902.89   216.798   169.442 4.7848  170.649 4.7431  -1.206848      6.737335 
1 1 1 -2  -7  2  o 161.112 3.1871  3478.75   137.529   3520.61   194.532   3436.93   194.460   162.082 4.4809  160.143 4.5335  1.939011       6.374263 
1 1 1 -2  -7  3  o 174.139 3.3909  4064.47   158.152   4108.77   223.521   4020.06   223.800   175.090 4.7662  173.188 4.8245  1.902023       6.781761 
1 1 1 -2  -7  4  o 225.558 4.2810  6822.06   258.631   6769.99   365.546   6874.25   365.974   224.695 6.0738  226.421 6.0345  -1.725266      8.561923 
1 1 1 -2  -7  5  o 487.134 8.9415  31954.10  1166.51   32566.71  1649.98   31341.92  1649.39   491.827 12.525  482.441 12.764  9.386078       17.88290 
1 1 1 -2  -7  6  o 142.919 2.8735  2737.14   109.991   2695.69   155.434   2778.71   155.669   141.835 4.0914  144.004 4.0359  -2.168625      5.746999 
1 1 1 -2  -7  7  o 152.653 3.0182  3122.81   123.402   3088.62   174.544   3156.98   174.491   151.817 4.2924  153.489 4.2443  -1.671738      6.036425 
1 1 1 -2  -7  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -7  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -7  10 o 513.780 9.4572  35554.01  1301.45   35456.21  1841.20   35651.67  1839.87   513.069 13.398  514.491 13.351  -1.422424      18.91450 
1 1 1 -2  -7  11 f 240.833 4.5714  7778.25   294.871   7705.14   417.621   7850.93   416.402   239.702 6.5046  241.963 6.4250  -2.261078      9.142805 
1 1 1 -2  -7  12 o 269.997 5.0851  9780.09   367.655   9538.35   520.133   10021.47  519.754   266.657 7.2824  273.338 7.0992  -6.680664      10.17012 
1 1 1 -2  -7  13 o 216.517 4.1772  6285.28   242.229   6183.37   342.447   6387.32   342.680   214.759 5.9532  218.275 5.8613  -3.516571      8.354406 
1 1 1 -2  -7  14 o 147.394 3.0091  2911.26   118.774   2837.50   167.669   2985.55   168.276   145.519 4.3017  149.269 4.2089  -3.749802      6.018274 
1 1 1 -2  -7  15 o 252.324 4.7988  8538.42   324.310   8444.92   458.129   8632.34   459.161   250.938 6.8160  253.710 6.7568  -2.772400      9.597507 
1 1 1 -2  -7  16 o 485.200 8.9553  31687.21  1163.80   31421.80  1645.12   31953.10  1646.61   483.157 12.712  487.243 12.617  -4.085999      17.91054 
1 1 1 -2  -7  17 o 388.833 7.1959  20320.77  749.418   20482.58  1059.41   20158.70  1060.27   390.389 10.132  387.278 10.221  3.110992       14.39176 
1 1 1 -2  -7  18 o 195.677 3.8439  5133.86   201.459   5084.21   284.308   5183.94   285.509   194.726 5.4510  196.628 5.4211  -1.901947      7.687726 
1 1 1 -2  -7  19 o 160.736 3.2770  3463.69   141.076   3407.01   198.938   3521.02   200.091   159.413 4.6591  162.060 4.6096  -2.647018      6.554082 
1 1 1 -2  -7  20 o 89.415  2.2340  1071.89   53.481    1097.06   75.185    1046.11   76.089    90.479  3.1024  88.351  3.2153  2.127914       4.468015 
1 1 1 -2  -7  21 o 235.235 4.5354  7438.03   285.759   7393.64   403.471   7482.71   404.780   234.530 6.4228  235.941 6.4051  -1.410873      9.070724 
1 1 1 -2  -7  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -7  23 o 124.120 2.7470  2067.37   91.311    2016.10   128.452   2119.74   129.826   122.562 3.9129  125.677 3.8567  -3.114655      5.494061 
1 1 1 -2  -7  24 o 287.493 5.4879  11177.96  422.584   11248.71  596.916   11106.87  598.336   288.418 7.7268  286.569 7.7952  1.848694       10.97584 
1 1 1 -2  -7  25 o 88.404  2.2138  1047.44   52.106    1210.11   75.363    898.471   72.121    94.981  2.9623  81.827  3.2906  13.15406       4.427563 
1 1 1 -2  -7  26 o 57.483  1.9442  441.588   29.375    559.433   43.360    341.615   39.937    64.592  2.5062  50.374  2.9730  14.21738       3.888455 
1 1 1 -2  -7  27 o 162.140 3.3613  3543.94   145.687   3327.99   207.710   3753.05   204.395   157.240 4.9318  167.040 4.5684  -9.799698      6.722550 
1 1 1 -2  -7  28 o 140.031 3.0589  2642.63   114.472   2485.65   163.813   2792.45   160.030   135.934 4.4991  144.128 4.1454  -8.193192      6.117714 
1 1 1 -2  -7  29 o 96.235  2.4136  1246.03   62.072    1203.44   89.922    1284.79   85.789    94.651  3.5469  97.820  3.2743  -3.168335      4.827171 
1 1 1 -2  -7  30 o 114.719 2.6257  1769.46   80.614    1766.36   116.345   1772.32   111.803   114.613 3.7899  114.825 3.6352  -0.2115479     5.251452 
1 1 1 -2  -7  31 o 77.092  2.1768  796.223   44.860    835.169   66.023    762.824   61.141    78.834  3.1267  75.351  3.0294  3.483871       4.353586 
1 1 1 -2  -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -7  33 o 19.540  2.7900  57.659    13.764    35.738    21.770    72.256    17.764    16.097  4.7339  22.984  2.9540  -6.886768      5.579971 
1 1 1 -2  -7  34 o 43.554  2.1111  261.971   23.909    226.614   36.272    289.138   31.794    40.830  3.3461  46.278  2.5752  -5.448467      4.222287 
1 1 1 -2  -7  35 o 57.409  2.0670  442.984   31.476    473.825   47.849    419.457   41.792    59.139  3.0309  55.679  2.8113  3.459816       4.134009 
1 1 1 -2  -7  36 o 26.683  2.2954  93.771    15.617    129.394   24.987    70.935    20.006    30.755  3.0744  22.610  3.4093  8.144697       4.590799 
1 1 1 -2  -7  37 o 106.128 2.6582  1542.38   75.306    1517.62   110.630   1563.76   102.797   105.234 3.9249  107.023 3.5860  -1.788933      5.316446 
1 1 1 -2  -7  38 o 52.025  2.1296  367.703   29.216    380.770   45.127    358.273   38.335    52.754  3.2090  51.296  2.8007  1.457333       4.259250 
1 1 1 -2  -7  39 o 21.912  2.7092  64.213    14.934    87.571    24.780    50.889    18.715    24.933  3.8333  18.891  3.8296  6.041595       5.418460 
1 1 1 -2  -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -7  41 o 10.543  2.9585  9.0075    11.785    12.368    20.778    7.4137    14.309    11.578  4.5597  9.5068  3.7711  2.071601       5.917100 
1 1 1 -2  -7  42 o 33.729  2.5278  159.251   21.865    169.426   35.674    153.129   27.673    34.393  3.9438  33.064  3.1633  1.328487       5.055666 
1 1 1 -2  -7  43 o 33.782  2.5517  162.047   21.741    168.484   36.566    158.527   27.040    33.987  4.0995  33.576  3.0396  0.4111481      5.103456 
1 1 1 -2  -7  44 o 16.525  3.4366  40.910    15.333    47.810    27.682    37.856    18.416    17.307  5.3918  15.743  4.2625  1.563514       6.873177 
1 1 1 -2  -7  45 o 29.705  2.9975  136.277   21.241    124.566   36.893    142.084   25.979    27.952  5.1163  31.458  3.1246  -3.506121      5.994956 
1 1 1 -2  -7  46 o 23.452  3.3798  87.427    19.161    88.032    34.418    87.155    23.066    22.744  5.6696  24.159  3.6808  -1.414864      6.759622 
1 1 1 -2  -7  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -7  48 o 16.927  3.7459  40.533    17.454    80.781    34.390    26.568    20.257    20.860  5.8943  12.994  4.6243  7.865886       7.491812 
1 1 1 -2  -7  49 o 14.444  3.7038  27.548    16.736    67.347    33.989    14.810    19.228    18.134  6.0064  10.754  4.3355  7.380650       7.407661 
1 1 1 -2  -6  1  o 182.309 3.5717  4456.25   174.340   4611.84   246.836   4301.37   246.273   185.488 4.9683  179.131 5.1328  6.357681       7.143500 
1 1 1 -2  -6  2  o 265.009 4.9925  9423.59   354.316   9629.19   501.148   9218.10   501.009   267.905 6.9839  262.113 7.1362  5.791382       9.984992 
1 1 1 -2  -6  3  o 200.512 3.8251  5390.40   205.423   5445.45   290.401   5335.26   290.622   201.538 5.3796  199.486 5.4391  2.051987       7.650126 
1 1 1 -2  -6  4  o 280.992 5.2496  10595.98  395.078   10456.52  558.450   10735.71  558.998   279.138 7.4693  282.846 7.3785  -3.709015      10.49918 
1 1 1 -2  -6  5  o 265.064 4.9467  9426.21   351.202   9396.39   496.538   9456.05   496.812   264.644 7.0049  265.484 6.9866  -0.8400879     9.893468 
1 1 1 -2  -6  6  o 80.635  1.9182  871.231   41.414    844.147   58.582    898.288   58.553    79.382  2.7552  81.888  2.6695  -2.506744      3.836367 
1 1 1 -2  -6  7  o 137.540 2.8159  2534.89   103.737   2533.78   146.971   2535.99   146.443   137.510 3.9903  137.570 3.9743  -0.6015015E-01 5.631825 
1 1 1 -2  -6  8  o 197.141 3.8111  5211.59   201.172   5065.26   285.002   5356.90   284.002   194.379 5.4741  199.903 5.3041  -5.523819      7.622284 
1 1 1 -2  -6  9  o 296.612 5.5579  11808.49  441.468   11543.45  624.723   12072.86  623.938   293.280 7.9527  299.944 7.7663  -6.664368      11.11579 
1 1 1 -2  -6  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -6  11 o 402.471 7.4306  21770.32  801.024   21833.04  1132.96   21707.63  1132.68   403.052 10.495  401.889 10.522  1.163055       14.86118 
1 1 1 -2  -6  12 o 118.033 2.5570  1866.73   80.832    1892.53   114.141   1840.78   114.488   118.851 3.5855  117.214 3.6466  1.637283       5.114054 
1 1 1 -2  -6  13 o 491.151 9.0267  32467.89  1187.47   32197.70  1678.71   32738.49  1679.97   489.096 12.814  493.205 12.717  -4.108978      18.05343 
1 1 1 -2  -6  14 o 149.487 3.0648  2994.39   122.713   2992.71   173.115   2996.08   173.972   149.445 4.3248  149.529 4.3438  -0.8370972E-01 6.129600 
1 1 1 -2  -6  15 o 250.913 4.7655  8444.40   320.149   8159.81   452.076   8730.72   453.444   246.666 6.8425  255.160 6.6347  -8.493835      9.530942 
1 1 1 -2  -6  16 o 346.059 6.4373  16079.80  596.618   15796.56  843.082   16363.93  844.409   342.999 9.1767  349.119 9.0301  -6.119659      12.87456 
1 1 1 -2  -6  17 o 289.260 5.4491  11228.46  422.121   10985.73  596.312   11472.26  597.627   286.121 7.7810  292.399 7.6307  -6.278290      10.89824 
1 1 1 -2  -6  18 o 173.728 3.5006  4045.72   162.887   4001.70   229.870   4090.12   230.848   172.778 4.9671  174.678 4.9340  -1.899338      7.001195 
1 1 1 -2  -6  19 o 57.136  1.9104  437.603   29.218    447.371   40.929    427.450   41.725    57.787  2.6443  56.485  2.7578  1.302086       3.820710 
1 1 1 -2  -6  20 o 341.575 6.3897  15706.27  584.598   15687.55  826.120   15725.04  827.375   341.372 9.0350  341.779 9.0379  -0.4071960     12.77945 
1 1 1 -2  -6  21 f 142.214 3.0040  2712.63   114.409   2648.70   161.142   2777.62   162.464   140.522 4.2813  143.905 4.2150  -3.382675      6.007943 
1 1 1 -2  -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -6  23 o 354.170 6.7781  17033.68  641.850   15885.06  908.183   18179.92  907.243   342.072 9.9121  366.268 9.2477  -24.19574      13.55622 
1 1 1 -2  -6  24 o 205.253 3.9727  5671.73   218.175   6013.92   310.412   5337.66   306.713   211.398 5.4821  199.109 5.7511  12.28833       7.945381 
1 1 1 -2  -6  25 o 144.864 3.0983  2825.89   119.961   2647.08   171.128   2998.66   168.210   140.329 4.5529  149.398 4.2036  -9.069595      6.196641 
1 1 1 -2  -6  26 f 236.227 4.6137  7540.69   291.700   7245.13   414.174   7831.59   410.897   231.585 6.6770  240.870 6.3689  -9.284241      9.227416 
1 1 1 -2  -6  27 o 230.141 4.5415  7157.08   279.821   6959.71   397.611   7350.74   393.868   226.960 6.5406  233.322 6.3024  -6.362045      9.082949 
1 1 1 -2  -6  28 o 50.646  2.1621  355.501   28.286    273.064   41.728    425.582   38.474    44.960  3.4925  56.332  2.5499  -11.37155      4.324296 
1 1 1 -2  -6  29 o 74.720  2.1416  746.650   42.784    801.163   62.745    699.279   58.490    77.259  3.0321  72.180  3.0254  5.079117       4.283267 
1 1 1 -2  -6  30 o 201.509 4.0987  5496.23   220.953   5247.48   314.815   5737.73   310.186   196.954 5.9676  206.065 5.6199  -9.111359      8.197325 
1 1 1 -2  -6  31 o 21.742  2.7430  74.441    14.627    30.168    22.107    108.915   19.508    15.118  4.8327  28.366  2.5964  -13.24799      5.485989 
1 1 1 -2  -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -6  33 o 48.547  2.0561  319.335   26.368    310.417   39.752    326.342   35.235    47.907  3.1148  49.186  2.6846  -1.279293      4.112107 
1 1 1 -2  -6  34 o 49.799  2.0627  337.712   27.026    319.965   41.077    351.259   35.889    48.588  3.1737  51.009  2.6357  -2.420837      4.125489 
1 1 1 -2  -6  35 o 128.883 2.9076  2262.31   100.239   2267.68   145.619   2257.48   138.192   128.973 4.2153  128.792 4.0059  0.1800842      5.815187 
1 1 1 -2  -6  36 o 69.358  2.2273  657.300   40.869    620.118   61.342    686.979   54.804    67.468  3.4054  71.248  2.8718  -3.779968      4.454679 
1 1 1 -2  -6  37 f 37.298  2.1732  190.954   21.095    186.332   32.983    194.152   27.441    36.832  3.3810  37.764  2.7313  -0.9324722     4.346433 
1 1 1 -2  -6  38 f 22.476  2.5563  67.194    14.485    89.321    24.001    54.518    18.166    25.286  3.6494  19.666  3.5806  5.619860       5.112633 
1 1 1 -2  -6  39 f 21.967  2.7703  65.540    15.318    82.792    25.362    55.632    19.221    24.150  4.0651  19.784  3.7646  4.365673       5.540530 
1 1 1 -2  -6  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -6  41 o 15.364  2.9868  37.323    13.930    10.544    24.085    50.784    17.075    11.889  4.8313  18.838  3.5133  -6.949594      5.973680 
1 1 1 -2  -6  42 o 35.463  2.4627  165.156   22.176    243.320   37.297    122.409   27.581    41.598  3.3766  29.328  3.5858  12.27024       4.925394 
1 1 1 -2  -6  43 o 35.354  2.7570  190.451   23.455    150.005   38.816    213.714   29.438    31.590  4.7333  39.119  2.8286  -7.529156      5.514033 
1 1 1 -2  -6  44 o 17.512  3.2439  37.359    15.645    83.791    28.663    17.656    18.671    23.231  4.7662  11.793  4.4017  11.43791       6.487772 
1 1 1 -2  -6  45 o 30.030  2.9861  136.094   21.869    137.283   37.775    135.495   26.821    29.492  4.9579  30.568  3.3297  -1.075275      5.972283 
1 1 1 -2  -6  46 o 14.377  3.4745  32.850    15.895    23.062    29.595    36.818    18.843    13.466  5.3964  15.289  4.3780  -1.823138      6.948987 
1 1 1 -2  -6  47 o 17.595  3.7142  52.686    18.118    50.756    33.384    53.491    21.571    16.944  5.9457  18.245  4.4531  -1.300419      7.428430 
1 1 1 -2  -6  48 o 16.772  3.7250  49.968    17.863    46.913    34.763    51.064    20.822    15.946  5.9953  17.598  4.4225  -1.652216      7.450042 
1 1 1 -2  -5  1  o 158.156 3.1630  3352.52   133.990   3370.20   189.588   3334.88   189.394   158.572 4.4637  157.739 4.4827  0.8337097      6.326053 
1 1 1 -2  -5  2  f 148.471 2.9607  2954.57   117.715   2877.32   166.265   3032.20   166.683   146.524 4.2365  150.419 4.1371  -3.894348      5.921448 
1 1 1 -2  -5  3  o 140.894 2.8314  2660.24   106.850   2651.44   150.980   2669.07   151.237   140.660 4.0074  141.127 4.0009  -0.4670563     5.662721 
1 1 1 -2  -5  4  o 326.418 6.0176  14311.16  526.100   14462.79  743.978   14159.51  744.058   328.152 8.4644  324.683 8.5557  3.468933       12.03523 
1 1 1 -2  -5  5  o 401.705 7.4560  21708.73  802.046   21152.75  1133.85   22265.53  1134.68   396.535 10.675  406.876 10.412  -10.34088      14.91201 
1 1 1 -2  -5  6  o 212.937 4.0502  6080.05   231.003   6100.17   326.983   6059.99   326.392   213.288 5.7236  212.585 5.7322  0.7039948      8.100444 
1 1 1 -2  -5  7  o 256.774 4.8323  8845.49   332.349   8844.66   470.559   8846.31   469.467   256.762 6.8422  256.787 6.8256  -0.2493286E-01 9.664618 
1 1 1 -2  -5  8  o 344.662 6.4001  15956.30  590.834   15882.89  835.954   16029.58  835.177   343.867 9.0762  345.457 9.0260  -1.589966      12.80021 
1 1 1 -2  -5  9  o 99.808  2.2576  1334.56   60.351    1353.27   85.534    1316.01   85.164    100.505 3.1774  99.111  3.2081  1.393303       4.515224 
1 1 1 -2  -5  10 o 294.637 5.4823  11649.70  432.627   11494.64  611.549   11805.05  612.106   292.671 7.8012  296.603 7.7048  -3.932739      10.96463 
1 1 1 -2  -5  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -5  12 o 247.130 4.7017  8190.71   311.218   8156.91   439.730   8224.62   440.529   246.619 6.6569  247.641 6.6414  -1.022232      9.403327 
1 1 1 -2  -5  13 o 372.992 6.9268  18687.42  692.027   18650.41  978.296   18724.50  979.053   372.622 9.8020  373.362 9.7901  -0.7407227     13.85368 
1 1 1 -2  -5  14 o 309.250 5.7986  12833.90  480.312   12853.06  678.914   12814.70  679.614   309.481 8.1901  309.018 8.2109  0.4636841      11.59728 
1 1 1 -2  -5  15 o 270.441 5.1147  9810.15   370.496   9806.55   523.609   9813.76   524.312   270.392 7.2298  270.491 7.2368  -0.9902954E-01 10.22944 
1 1 1 -2  -5  16 o 161.451 3.2797  3493.96   141.748   3348.59   199.951   3640.83   200.978   158.072 4.7226  164.829 4.5522  -6.757401      6.559388 
1 1 1 -2  -5  17 o 453.717 8.3886  27696.89  1019.36   27254.06  1440.79   28140.71  1442.39   450.070 11.952  457.364 11.774  -7.293610      16.77726 
1 1 1 -2  -5  18 o 492.949 9.1099  32744.68  1202.80   32455.17  1700.29   33034.67  1701.73   490.755 12.935  495.142 12.831  -4.386414      18.21977 
1 1 1 -2  -5  19 o 266.918 5.0774  9564.05   362.998   9528.08   512.801   9600.17   513.914   266.415 7.1862  267.422 7.1747  -1.006958      10.15473 
1 1 1 -2  -5  20 o 397.708 7.4008  21327.41  788.347   21571.87  1116.22   21084.13  1113.56   399.994 10.419  395.422 10.514  4.572174       14.80169 
1 1 1 -2  -5  21 o 139.527 2.9255  2611.18   109.139   2819.63   155.803   2410.34   152.928   145.001 4.0116  134.053 4.2591  10.94791       5.850914 
1 1 1 -2  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -5  23 o 73.373  2.9399  683.020   55.251    585.566   67.583    879.421   95.941    65.945  3.8428  80.801  4.4502  -14.85665      5.879743 
1 1 1 -2  -5  24 o 187.132 3.6868  4711.07   184.530   5046.40   262.977   4385.81   258.998   193.715 5.0683  180.549 5.3557  13.16678       7.373685 
1 1 1 -2  -5  25 o 23.559  2.0777  74.897    12.758    82.608    19.294    68.907    17.006    24.637  2.9848  22.482  2.8911  2.155106       4.155395 
1 1 1 -2  -5  26 o 91.222  2.3549  1124.23   57.151    1002.71   82.359    1237.10   79.371    86.421  3.5580  96.022  3.0860  -9.600410      4.709865 
1 1 1 -2  -5  27 f 162.452 3.3850  3556.37   147.062   3379.93   209.943   3726.35   206.066   158.464 4.9463  166.439 4.6223  -7.975510      6.769939 
1 1 1 -2  -5  28 o 91.614  2.3250  1125.00   56.987    1160.49   83.012    1093.37   78.370    92.975  3.3334  90.252  3.2419  2.722954       4.649909 
1 1 1 -2  -5  29 o 131.605 2.8860  2330.03   101.644   2299.58   146.245   2358.48   141.370   130.760 4.1756  132.449 3.9849  -1.688980      5.771925 
1 1 1 -2  -5  30 o 195.546 3.9281  5167.02   205.696   5153.44   293.767   5180.08   288.111   195.274 5.6165  195.817 5.4931  -0.5426636     7.856212 
1 1 1 -2  -5  31 o 44.883  2.0231  266.685   23.846    338.523   36.314    212.230   31.617    50.136  2.7143  39.630  3.0008  10.50529       4.046295 
1 1 1 -2  -5  32 o 72.502  2.2303  707.018   43.130    710.201   64.055    704.379   58.335    72.636  3.2924  72.368  3.0095  0.2679138      4.460637 
1 1 1 -2  -5  33 o 74.595  2.2106  750.572   43.955    740.319   65.208    759.111   59.506    74.104  3.2853  75.086  2.9588  -0.9814224     4.421266 
1 1 1 -2  -5  34 o 132.108 3.0315  2382.00   106.788   2213.33   154.627   2535.80   147.655   127.506 4.5276  136.710 4.0324  -9.203133      6.062910 
1 1 1 -2  -5  35 o 26.663  2.3222  97.655    15.811    97.810    25.313    97.555    20.247    26.602  3.6486  26.724  2.8738  -0.1214218     4.644425 
1 1 1 -2  -5  36 o 74.245  2.2566  750.748   44.515    725.256   66.665    771.260   59.800    73.034  3.4079  75.455  2.9589  -2.420471      4.513137 
1 1 1 -2  -5  37 o 43.351  2.0925  248.664   23.781    311.987   37.495    206.048   30.759    47.856  2.9394  38.845  2.9790  9.010433       4.184985 
1 1 1 -2  -5  38 o 40.435  2.2269  225.527   23.410    217.285   36.682    231.191   30.407    39.700  3.4849  41.171  2.7735  -1.471519      4.453851 
1 1 1 -2  -5  39 o 20.256  2.9404  60.599    14.927    51.831    24.509    65.768    18.820    18.849  4.8321  21.663  3.3517  -2.814144      5.880724 
1 1 1 -2  -5  40 o 18.170  3.1058  47.603    14.435    49.788    24.492    46.440    17.867    18.379  4.8897  17.961  3.8308  0.4181995      6.211627 
1 1 1 -2  -5  41 f 53.213  2.2749  387.876   31.740    422.748   50.423    364.990   40.848    55.038  3.4376  51.387  2.9806  3.651524       4.549787 
1 1 1 -2  -5  42 o 46.085  2.3295  289.536   27.950    340.123   45.591    259.075   35.378    49.103  3.4891  43.068  3.0873  6.034729       4.658935 
1 1 1 -2  -5  43 o 28.467  2.7466  114.557   19.505    131.018   33.566    106.165   23.966    29.696  4.3489  27.237  3.3560  2.458891       5.493202 
1 1 1 -2  -5  44 o 9.8793  2.9759  3.8881    12.642    7.1851    23.736    2.5824    14.937    11.058  4.6694  8.7005  3.6907  2.357569       5.951799 
1 1 1 -2  -5  45 o 25.415  3.4117  111.011   20.553    76.548    35.699    128.098   25.137    21.042  6.0262  29.788  3.2007  -8.745789      6.823445 
1 1 1 -2  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -5  47 o 32.493  3.0956  166.168   24.083    161.583   42.274    168.371   29.303    31.140  5.2554  33.847  3.2731  -2.706390      6.191277 
1 1 1 -2  -5  48 o 7.6070  2.5227  -15.2601  13.546    -67.8310  28.789    -0.3118   15.352    7.0546  3.5367  8.1594  3.5984  -1.104860      5.045496 
1 1 1 -2  -4  1  o 564.273 10.370  43033.58  1567.16   43669.87  2216.83   42397.90  2215.76   568.480 14.559  560.066 14.770  8.413330       20.73953 
1 1 1 -2  -4  2  o 455.261 8.3958  27926.79  1023.67   28414.19  1447.92   27439.69  1447.46   459.256 11.771  451.265 11.975  7.990692       16.79157 
1 1 1 -2  -4  3  o 495.479 9.0927  33112.74  1206.62   33617.70  1706.66   32608.06  1706.18   499.283 12.762  491.676 12.956  7.606628       18.18542 
1 1 1 -2  -4  4  o 305.954 5.6837  12570.92  465.768   12657.38  658.787   12484.50  658.603   307.009 8.0113  304.900 8.0645  2.109344       11.36741 
1 1 1 -2  -4  5  o 556.506 10.295  41850.60  1534.17   43037.14  2170.85   40666.70  2168.44   564.455 14.359  548.558 14.758  15.89722       20.59067 
1 1 1 -2  -4  6  o 232.765 4.4148  7267.92   275.226   7184.44   389.606   7351.07   388.852   231.429 6.2852  234.102 6.2014  -2.673370      8.829564 
1 1 1 -2  -4  7  o 422.773 7.8176  24052.50  885.225   24288.55  1252.44   23816.85  1251.35   424.855 11.006  420.691 11.105  4.163757       15.63513 
1 1 1 -2  -4  8  o 200.909 3.8855  5412.10   209.079   5335.39   295.520   5488.98   295.845   199.482 5.5309  202.336 5.4589  -2.853882      7.771095 
1 1 1 -2  -4  9  f 477.517 8.7850  30708.48  1123.50   30169.67  1588.11   31248.32  1589.64   473.302 12.527  481.733 12.320  -8.430817      17.57006 
1 1 1 -2  -4  10 o 144.853 2.9681  2811.75   115.157   2815.67   162.601   2807.81   163.114   144.954 4.1880  144.752 4.2071  0.2027283      5.936189 
1 1 1 -2  -4  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -4  12 o 318.090 5.9589  13581.43  507.693   13597.15  717.709   13565.68  718.265   318.274 8.4189  317.905 8.4353  0.3699036      11.91773 
1 1 1 -2  -4  13 o 210.254 4.0757  5926.50   229.527   5917.62   324.278   5935.41   324.922   210.097 5.7625  210.412 5.7653  -0.3153839     8.151350 
1 1 1 -2  -4  14 o 131.846 2.8147  2329.14   99.395    2292.81   140.222   2365.83   140.913   130.812 4.0020  132.880 3.9592  -2.067368      5.629473 
1 1 1 -2  -4  15 o 280.790 5.3051  10576.75  398.986   10642.20  563.927   10511.14  564.576   281.662 7.4749  279.919 7.5301  1.743073       10.61022 
1 1 1 -2  -4  16 o 587.303 10.818  46527.50  1701.16   45088.37  2404.28   47970.28  2407.33   578.145 15.526  596.460 15.068  -18.31494      21.63589 
1 1 1 -2  -4  17 o 83.630  2.1421  936.716   47.751    1064.65   68.738    817.395   66.384    89.149  2.8787  78.112  3.1729  11.03721       4.284167 
1 1 1 -2  -4  18 o 224.468 4.3253  6757.07   260.047   6791.83   368.901   6722.74   366.633   225.042 6.1201  223.895 6.1136  1.147125       8.650549 
1 1 1 -2  -4  19 o 223.952 4.3527  6730.27   261.030   6582.33   370.208   6876.53   368.104   221.498 6.2400  226.405 6.0701  -4.906799      8.705396 
1 1 1 -2  -4  20 o 315.754 5.8951  13410.99  498.565   13359.01  706.335   13462.60  703.827   315.139 8.3680  316.369 8.3058  -1.229736      11.79024 
1 1 1 -2  -4  21 o 285.561 5.4045  10976.89  413.353   10887.97  585.912   11065.01  583.237   284.401 7.6915  286.722 7.5944  -2.321259      10.80901 
1 1 1 -2  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -4  23 o 134.798 2.8782  2438.88   103.901   2453.24   148.519   2425.12   145.407   135.184 4.1017  134.412 4.0389  0.7722626      5.756444 
1 1 1 -2  -4  24 o 130.614 2.8424  2291.22   99.405    2272.41   142.215   2309.19   138.999   130.085 4.0816  131.144 3.9571  -1.059402      5.684894 
1 1 1 -2  -4  25 o 60.594  1.9520  491.675   31.122    616.542   45.662    383.348   42.531    67.812  2.5140  53.375  2.9869  14.43615       3.904044 
1 1 1 -2  -4  26 o 38.502  1.9678  202.801   19.834    176.299   29.401    224.934   26.869    36.120  3.0680  40.884  2.4651  -4.764359      3.935695 
1 1 1 -2  -4  27 o 100.368 2.5013  1358.25   66.963    1254.12   96.547    1454.77   92.954    96.632  3.7302  104.105 3.3336  -7.473145      5.002690 
1 1 1 -2  -4  28 o 59.860  2.3241  503.989   34.390    549.427   42.614    419.129   58.236    64.008  2.4856  55.711  3.9278  8.296043       4.648214 
1 1 1 -2  -4  29 o 71.520  2.0973  683.024   40.072    748.938   59.075    626.847   54.537    74.701  2.9525  68.340  2.9794  6.360863       4.194552 
1 1 1 -2  -4  30 o 123.454 2.7830  2051.42   91.922    2032.31   132.825   2068.99   127.342   122.887 4.0354  124.021 3.8334  -1.133598      5.565917 
1 1 1 -2  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -4  32 o 174.923 3.6195  4153.31   169.457   4089.11   243.198   4213.89   236.250   173.559 5.2315  176.288 5.0033  -2.729279      7.238912 
1 1 1 -2  -4  33 o 97.663  2.5789  1303.23   66.671    1131.59   97.302    1455.14   91.536    91.454  3.9722  103.873 3.2901  -12.41889      5.157783 
1 1 1 -2  -4  34 o 42.903  2.0621  247.469   23.296    262.182   36.115    236.985   30.487    43.962  3.0867  41.845  2.7351  2.116894       4.124143 
1 1 1 -2  -4  35 o 57.833  2.1972  461.888   33.209    400.529   50.186    509.684   44.294    54.221  3.4739  61.446  2.6913  -7.224983      4.394475 
1 1 1 -2  -4  36 o 28.894  2.4594  120.405   17.571    94.351    27.649    138.057   22.758    25.948  4.1156  31.839  2.6939  -5.891310      4.918839 
1 1 1 -2  -4  37 o 20.978  2.7157  56.440    14.260    96.196    24.019    34.800    17.721    26.328  3.4922  15.629  4.1598  10.69921       5.431376 
1 1 1 -2  -4  38 o 29.671  2.4363  121.892   18.440    122.587   29.811    121.461   23.469    29.618  3.8488  29.724  2.9883  -0.1067181     4.872661 
1 1 1 -2  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -4  40 o 30.676  2.4510  124.906   19.211    162.626   32.205    104.070   23.935    34.080  3.5816  27.272  3.3469  6.808031       4.902013 
1 1 1 -2  -4  41 o 7.5566  2.4807  -14.3554  11.175    -4.8708   19.482    -19.0064  13.643    9.0662  4.0232  6.0471  2.9034  3.019113       4.961419 
1 1 1 -2  -4  42 o 19.131  3.2909  49.650    16.039    76.865    28.576    37.133    19.380    22.501  4.8818  15.762  4.4147  6.739287       6.581865 
1 1 1 -2  -4  43 o 16.079  3.3549  40.360    14.924    33.989    27.647    42.980    17.729    15.226  5.4041  16.931  3.9769  -1.705750      6.709712 
1 1 1 -2  -4  44 o 14.072  3.3971  30.100    15.414    20.631    26.885    34.737    18.814    13.122  5.1806  15.022  4.3959  -1.900536      6.794272 
1 1 1 -2  -4  45 o 12.524  2.9047  20.648    14.871    -29.5717  27.616    41.157    17.648    8.6981  4.1642  16.349  4.0507  -7.651339      5.809390 
1 1 1 -2  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -4  47 o 9.6539  3.0353  0.6864    15.078    -18.2972  30.027    7.0873    17.436    9.6357  4.5330  9.6720  4.0378  -0.3632355E-01 6.070554 
1 1 1 -2  -4  48 o 13.932  3.6250  25.437    16.197    56.454    32.018    14.770    18.777    17.064  5.8310  10.799  4.3085  6.265452       7.250072 
1 1 1 -2  -3  1  o 610.005 11.318  50416.71  1848.41   48735.34  2612.59   52101.81  2615.49   599.707 16.265  620.303 15.742  -20.59631      22.63510 
1 1 1 -2  -3  2  o 334.185 6.1873  15008.80  553.779   14756.78  782.859   15261.20  783.464   331.368 8.8203  337.002 8.6796  -5.634430      12.37468 
1 1 1 -2  -3  3  o 177.751 3.4416  4236.56   163.810   4352.06   231.761   4121.27   231.563   180.175 4.8024  175.327 4.9310  4.847336       6.883111 
1 1 1 -2  -3  4  f 335.749 6.2100  15148.34  558.461   15207.44  790.148   15089.35  789.420   336.405 8.7691  335.093 8.7954  1.312103       12.41999 
1 1 1 -2  -3  5  o 460.620 8.4940  28592.76  1047.96   28659.61  1482.41   28525.98  1481.66   461.161 12.001  460.079 12.023  1.081573       16.98797 
1 1 1 -2  -3  6  o 321.697 6.0118  13902.00  518.005   13828.63  732.572   13975.37  732.568   320.845 8.5244  322.548 8.4794  -1.702972      12.02357 
1 1 1 -2  -3  7  o 135.627 2.8272  2465.15   102.705   2473.98   144.971   2456.25   145.523   135.872 3.9835  135.383 4.0131  0.4883270      5.654471 
1 1 1 -2  -3  8  o 471.686 8.6976  29971.60  1098.79   29594.89  1553.44   30348.79  1554.42   468.703 12.374  474.669 12.226  -5.965424      17.39517 
1 1 1 -2  -3  9  o 384.469 7.1400  19870.01  735.251   19679.49  1039.42   20060.81  1040.19   382.618 10.142  386.320 10.053  -3.701782      14.28003 
1 1 1 -2  -3  10 o 218.400 4.2051  6395.79   245.989   6353.94   347.617   6437.77   348.145   217.684 5.9619  219.116 5.9319  -1.432709      8.410245 
1 1 1 -2  -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -3  12 o 209.107 4.0693  5862.31   227.910   5908.71   322.056   5815.76   322.570   209.937 5.7274  208.277 5.7822  1.660004       8.138584 
1 1 1 -2  -3  13 o 420.843 7.7934  23810.07  878.426   24134.79  1242.22   23485.29  1242.34   423.724 10.945  417.962 11.097  5.762085       15.58681 
1 1 1 -2  -3  14 o 87.878  2.1445  1034.11   50.444    1087.46   72.075    982.887   70.625    90.099  2.9866  85.656  3.0783  4.442223       4.289013 
1 1 1 -2  -3  15 o 302.833 5.6396  12309.62  457.080   12910.05  647.773   11714.23  645.054   310.203 7.7963  295.463 8.1509  14.74017       11.27911 
1 1 1 -2  -3  16 o 288.062 5.4490  11139.52  420.086   10633.08  594.687   11643.93  593.497   281.511 7.8869  294.613 7.5210  -13.10220      10.89809 
1 1 1 -2  -3  17 o 244.289 4.6549  8006.96   304.416   7726.74   431.362   8284.99   429.661   240.022 6.7097  248.555 6.4538  -8.533081      9.309721 
1 1 1 -2  -3  18 o 302.425 5.8029  12319.20  467.784   10926.74  661.569   13711.48  661.525   285.236 8.6593  319.614 7.7274  -34.37781      11.60584 
1 1 1 -2  -3  19 o 272.849 5.1477  9995.12   376.195   10105.99  533.352   9885.35   530.699   274.356 7.2579  271.341 7.3020  3.015564       10.29547 
1 1 1 -2  -3  20 o 79.748  2.0779  852.070   43.992    1010.48   63.675    707.398   60.850    86.842  2.7375  72.654  3.1269  14.18703       4.155862 
1 1 1 -2  -3  21 o 187.292 3.7434  4713.33   187.643   4528.28   266.618   4894.94   264.134   183.636 5.4205  190.949 5.1644  -7.313568      7.486862 
1 1 1 -2  -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -3  23 o 45.129  2.0496  287.341   23.180    184.968   33.582    380.504   32.036    36.974  3.4300  53.283  2.2447  -16.30906      4.099243 
1 1 1 -2  -3  24 o 116.101 2.6617  1816.21   82.454    1665.77   118.145   1959.08   115.129   111.382 3.9602  120.821 3.5576  -9.438972      5.323443 
1 1 1 -2  -3  25 o 181.847 3.6374  4449.13   177.150   4524.84   252.681   4375.95   248.430   183.368 5.1447  180.326 5.1435  3.041855       7.274834 
1 1 1 -2  -3  26 o 114.610 2.5957  1762.76   79.644    1795.47   114.814   1732.43   110.573   115.631 3.7071  113.589 3.6343  2.042389       5.191414 
1 1 1 -2  -3  27 o 171.777 3.5988  3987.11   164.912   3621.56   235.271   4340.19   231.222   163.959 5.3573  179.594 4.8067  -15.63477      7.197561 
1 1 1 -2  -3  28 o 212.980 4.2518  6129.33   242.329   5897.06   345.231   6354.92   340.235   208.955 6.1683  217.006 5.8535  -8.051102      8.503664 
1 1 1 -2  -3  29 o 127.409 2.7821  2178.10   94.727    2394.42   137.123   1980.62   131.016   133.460 3.8359  121.357 4.0306  12.10251       5.564167 
1 1 1 -2  -3  30 o 189.990 3.8521  4879.25   195.982   4895.86   280.358   4863.37   274.070   190.289 5.5006  189.691 5.3942  0.5981140      7.704150 
1 1 1 -2  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -3  32 o 64.469  2.1085  553.276   36.215    627.971   54.573    494.500   48.410    68.315  2.9824  60.622  2.9813  7.693047       4.217023 
1 1 1 -2  -3  33 o 57.109  2.0964  440.470   31.715    437.492   48.028    442.773   42.234    56.871  3.1655  57.348  2.7495  -0.4776993     4.192831 
1 1 1 -2  -3  34 o 29.479  2.1851  117.483   16.712    124.926   26.457    112.541   21.558    30.213  3.3244  28.746  2.8368  1.466448       4.370282 
1 1 1 -2  -3  35 o 31.761  2.2754  139.038   18.531    133.777   29.589    142.432   23.769    31.170  3.6110  32.352  2.7697  -1.181601      4.550887 
1 1 1 -2  -3  36 o 39.791  2.1795  215.350   22.612    220.284   35.743    212.058   29.197    40.101  3.3586  39.481  2.7787  0.6205330      4.359049 
1 1 1 -2  -3  37 o 19.892  2.8510  56.754    14.128    53.940    23.654    58.315    17.615    19.356  4.6256  20.429  3.3342  -1.073641      5.702023 
1 1 1 -2  -3  38 o 10.359  2.7134  9.7777    11.296    -12.7493  19.788    20.669    13.759    8.4645  3.8756  12.253  3.7985  -3.788931      5.426730 
1 1 1 -2  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -3  40 o 36.054  2.3877  179.136   22.100    190.141   36.319    172.666   27.849    36.770  3.7398  35.339  2.9697  1.430744       4.775498 
1 1 1 -2  -3  41 o 26.741  2.6906  97.931    18.097    120.171   30.769    86.168    22.377    28.863  4.0949  24.620  3.4912  4.242994       5.381140 
1 1 1 -2  -3  42 o 11.211  3.1155  9.8249    12.661    22.217    23.699    4.8749    14.978    13.273  4.9581  9.1478  3.7741  4.125540       6.231080 
1 1 1 -2  -3  43 o 6.4697  2.2211  -19.3659  10.281    -26.8003  20.420    -16.8415  11.899    7.3474  3.5339  5.5919  2.6916  1.755408       4.442204 
1 1 1 -2  -3  44 o 17.796  3.4056  55.152    17.334    27.984    31.840    66.597    20.665    14.458  5.6594  21.134  3.7900  -6.676050      6.811224 
1 1 1 -2  -3  45 o 18.139  3.5486  50.089    16.630    63.490    30.829    44.590    19.750    19.395  5.6133  16.882  4.3428  2.512981       7.097151 
1 1 1 -2  -3  46 o 12.036  3.1514  -11.3606  14.826    56.281    29.615    -33.9846  17.127    18.087  5.5674  5.9859  2.9544  12.10075       6.302722 
1 1 1 -2  -3  47 o 12.277  3.5382  16.748    16.332    28.363    32.470    12.815    18.896    13.868  5.6188  10.687  4.3016  3.181014       7.076366 
1 1 1 -2  -2  1  o 181.000 3.5021  4392.47   169.779   4359.06   239.957   4425.96   240.249   180.310 4.9685  181.690 4.9368  -1.379715      7.004106 
1 1 1 -2  -2  2  o 555.114 10.243  41679.75  1522.18   40133.39  2151.47   43229.60  2153.90   544.705 14.746  565.522 14.220  -20.81775      20.48543 
1 1 1 -2  -2  3  f 470.647 8.6600  29868.87  1091.70   29941.33  1544.35   29796.49  1543.43   471.220 12.236  470.073 12.258  1.146942       17.32004 
1 1 1 -2  -2  4  o 265.820 5.0056  9484.78   356.383   9596.42   504.292   9373.40   503.713   267.386 7.0413  264.254 7.1166  3.131683       10.01129 
1 1 1 -2  -2  5  o 423.025 7.8155  24096.82  885.449   23677.67  1251.64   24516.73  1252.79   419.324 11.144  426.727 10.961  -7.403046      15.63092 
1 1 1 -2  -2  6  o 764.826 14.179  79704.32  2904.16   77829.92  4105.56   81581.54  4108.65   755.675 20.284  773.978 19.819  -18.30334      28.35884 
1 1 1 -2  -2  7  o 127.910 2.7139  2192.52   92.971    2154.73   131.283   2230.55   131.679   126.804 3.8653  129.017 3.8105  -2.212891      5.427769 
1 1 1 -2  -2  8  o 689.718 12.736  64523.27  2352.42   65917.22  3327.69   63130.76  3325.96   697.257 17.818  682.179 18.202  15.07855       25.47177 
1 1 1 -2  -2  9  o 487.827 9.0010  32060.14  1176.10   32194.07  1663.14   31926.17  1663.37   488.852 12.702  486.801 12.757  2.050751       18.00208 
1 1 1 -2  -2  10 o 346.741 6.4666  16148.20  600.580   16185.58  849.115   16110.78  849.583   347.144 9.1320  346.339 9.1583  0.8058777      12.93325 
1 1 1 -2  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -2  12 o 235.460 4.5054  7435.00   284.125   7358.83   402.484   7510.67   401.146   234.255 6.4146  236.664 6.3282  -2.408554      9.010745 
1 1 1 -2  -2  13 o 247.920 4.6900  8245.46   311.202   8644.52   441.254   7850.51   438.968   253.897 6.4885  241.942 6.7738  11.95538       9.380010 
1 1 1 -2  -2  14 o 324.564 6.0626  14139.07  527.040   14071.63  746.206   14206.19  744.492   323.789 8.6041  325.338 8.5435  -1.549469      12.12529 
1 1 1 -2  -2  15 o 676.134 12.504  61792.09  2264.00   60371.81  3201.62   63212.64  3201.93   668.291 17.886  683.977 17.478  -15.68579      25.00756 
1 1 1 -2  -2  16 o 387.111 7.1371  20146.74  738.928   21469.48  1047.18   18834.93  1042.84   399.813 9.7785  374.409 10.399  25.40375       14.27426 
1 1 1 -2  -2  17 o 270.058 5.1602  9789.67   373.007   9394.45   528.331   10182.44  526.697   264.611 7.4543  275.506 7.1374  -10.89514      10.32036 
1 1 1 -2  -2  18 o 209.283 4.0557  5874.37   227.168   6178.59   322.778   5575.79   319.771   214.658 5.6139  203.907 5.8549  10.75111       8.111461 
1 1 1 -2  -2  19 o 258.285 4.9678  8963.62   343.340   8529.77   486.492   9394.14   484.624   252.036 7.2065  264.533 6.8397  -12.49684      9.935522 
1 1 1 -2  -2  20 o 108.667 2.6017  1599.55   74.756    1321.65   106.670   1867.79   104.798   99.284  4.0112  118.049 3.3144  -18.76537      5.203324 
1 1 1 -2  -2  21 f 191.365 3.7790  4917.39   193.648   5079.55   275.612   4759.29   272.139   194.486 5.2908  188.245 5.3973  6.241211       7.558023 
1 1 1 -2  -2  22 o 210.246 5.8852  5980.30   330.872   5646.19   471.182   6305.33   464.732   204.381 8.6071  216.111 8.0285  -11.72992      11.77031 
1 1 1 -2  -2  23 o 187.883 3.7506  4748.32   188.705   4697.44   268.723   4797.82   265.053   186.880 5.3685  188.885 5.2390  -2.005539      7.501184 
1 1 1 -2  -2  24 o 88.836  2.2423  1057.19   53.314    1099.42   77.247    1018.77   73.674    90.527  3.1858  87.145  3.1563  3.382423       4.484590 
1 1 1 -2  -2  25 o 250.223 4.7942  8459.60   320.835   9058.22   456.582   7875.71   450.930   259.032 6.5808  241.414 6.9736  17.61716       9.588410 
1 1 1 -2  -2  26 o 162.350 3.3150  3542.89   144.053   3735.77   206.423   3359.79   201.124   166.664 4.6241  158.036 4.7514  8.627716       6.630049 
1 1 1 -2  -2  27 o 220.022 4.3988  6545.27   258.802   6170.60   368.355   6910.51   363.693   213.733 6.4344  226.311 5.9998  -12.57779      8.797690 
1 1 1 -2  -2  28 o 304.753 5.7862  12628.88  472.302   12686.68  671.008   12572.12  664.905   305.433 8.2020  304.073 8.1638  1.360565       11.57244 
1 1 1 -2  -2  29 o 239.477 4.7252  7778.14   302.891   7539.69   431.277   8010.23   425.488   235.790 6.8288  243.165 6.5328  -7.374771      9.450338 
1 1 1 -2  -2  30 o 157.185 3.3756  3349.20   141.467   3048.56   202.959   3633.28   197.292   150.224 5.0440  164.147 4.4873  -13.92271      6.751193 
1 1 1 -2  -2  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -2  32 o 46.974  2.0433  292.007   25.288    360.006   38.831    241.931   33.323    51.653  2.8173  42.294  2.9602  9.359383       4.086565 
1 1 1 -2  -2  33 o 56.940  2.1199  440.375   31.888    419.239   48.163    456.871   42.551    55.636  3.2461  58.243  2.7275  -2.607510      4.239860 
1 1 1 -2  -2  34 o 49.425  2.0791  329.047   27.114    344.918   41.849    317.565   35.596    50.414  3.1144  48.437  2.7551  1.977200       4.158132 
1 1 1 -2  -2  35 o 67.974  2.1918  621.922   39.659    663.437   60.187    590.066   52.723    69.935  3.2131  66.013  2.9818  3.922241       4.383510 
1 1 1 -2  -2  36 o 29.751  2.4354  124.132   18.223    114.511   29.615    129.995   23.118    28.656  3.9646  30.847  2.8296  -2.191223      4.870786 
1 1 1 -2  -2  37 f 17.461  2.9633  44.195    13.334    40.643    22.232    46.191    16.664    16.849  4.7316  18.074  3.5689  -1.225344      5.926651 
1 1 1 -2  -2  38 o 37.714  2.3504  197.681   22.780    189.843   36.494    202.685   29.158    36.948  3.7391  38.481  2.8492  -1.533260      4.700895 
1 1 1 -2  -2  39 o 20.955  3.1662  68.567    16.560    48.075    28.232    79.317    20.447    18.104  5.4076  23.806  3.2950  -5.701706      6.332414 
1 1 1 -2  -2  40 o 22.654  2.8554  70.518    16.082    87.514    27.577    61.759    19.797    24.543  4.3543  20.764  3.6950  3.779373       5.710798 
1 1 1 -2  -2  41 o 15.112  3.4448  32.163    15.096    36.458    26.747    30.155    18.287    15.849  5.3299  14.374  4.3655  1.474699       6.889499 
1 1 1 -2  -2  42 o 21.542  3.2252  65.478    17.069    85.990    30.670    56.274    20.545    23.639  5.0002  19.445  4.0751  4.193995       6.450395 
1 1 1 -2  -2  43 o 14.040  3.3492  23.330    14.353    47.252    26.325    13.212    17.121    17.245  5.2379  10.836  4.1753  6.409632       6.698348 
1 1 1 -2  -2  44 o 17.746  3.2565  35.225    15.910    93.927    30.721    13.711    18.599    24.422  4.8673  11.070  4.3276  13.35199       6.512962 
1 1 1 -2  -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -2  46 o 20.387  3.7737  67.068    19.446    81.380    36.161    61.246    23.064    21.223  6.0606  19.550  4.4981  1.673161       7.547417 
1 1 1 -2  -2  47 o 11.272  3.2213  15.173    15.517    -9.9711   31.245    23.404    17.877    10.244  4.7545  12.300  4.3477  -2.055511      6.442635 
1 1 1 -2  -1  1  o 486.269 10.914  31851.75  1342.43   32525.50  2326.53   31515.46  1643.65   489.244 17.754  483.294 12.697  5.949310       21.82710 
1 1 1 -2  -1  2  o 444.660 8.2029  26646.06  976.930   26966.03  1382.07   26326.54  1381.10   447.344 11.535  441.976 11.666  5.367310       16.40584 
1 1 1 -2  -1  3  o 249.346 4.7197  8344.52   315.164   8510.85   445.659   8178.11   445.759   251.837 6.6068  246.855 6.7417  4.982178       9.439331 
1 1 1 -2  -1  4  o 335.502 6.2391  15129.23  560.607   14863.40  792.496   15395.50  793.139   332.542 8.8974  338.462 8.7488  -5.920288      12.47820 
1 1 1 -2  -1  5  o 445.659 8.2344  26760.32  982.923   26930.45  1390.07   26590.20  1390.05   447.084 11.608  444.234 11.682  2.850311       16.46888 
1 1 1 -2  -1  6  o 704.715 13.022  67488.34  2457.65   66199.58  3474.41   68778.92  3476.87   697.886 18.587  711.544 18.243  -13.65765      26.04388 
1 1 1 -2  -1  7  o 204.628 3.9879  5617.38   218.460   5417.40   309.317   5816.41   308.582   200.988 5.7457  208.269 5.5317  -7.280685      7.975750 
1 1 1 -2  -1  8  o 396.733 7.3166  21183.35  776.427   22506.50  1099.71   19868.22  1096.37   409.144 10.035  384.322 10.651  24.82248       14.63327 
1 1 1 -2  -1  9  o 72.548  1.9479  704.756   37.837    733.078   54.080    677.601   52.955    73.975  2.7294  71.121  2.7799  2.854538       3.895797 
1 1 1 -2  -1  10 o 478.032 8.7714  30763.98  1123.09   30863.07  1589.08   30665.08  1587.50   478.804 12.391  477.260 12.418  1.543793       17.54280 
1 1 1 -2  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -1  12 o 532.090 12.748  39436.92  1684.31   35142.85  2914.28   41590.67  2063.93   508.593 21.393  555.587 13.869  -46.99411      25.49544 
1 1 1 -2  -1  13 o 292.845 5.5238  11507.87  433.186   11229.91  612.228   11786.54  613.008   289.297 7.9010  296.393 7.7216  -7.095673      11.04757 
1 1 1 -2  -1  14 o 155.291 3.1574  3231.55   131.330   3233.73   185.549   3229.35   185.909   155.344 4.4594  155.239 4.4711  0.1055298      6.314799 
1 1 1 -2  -1  15 o 318.069 5.9817  13577.45  509.578   13408.07  720.344   13747.13  720.961   316.079 8.5085  320.059 8.4100  -3.979309      11.96339 
1 1 1 -2  -1  16 o 610.211 11.291  50257.14  1845.37   50558.60  2609.86   49955.73  2609.64   612.055 15.920  608.367 16.015  3.688110       22.58139 
1 1 1 -2  -1  17 o 193.350 3.7738  5013.59   195.292   4782.08   275.796   5246.40   276.575   188.868 5.4518  197.833 5.2195  -8.965149      7.547519 
1 1 1 -2  -1  18 o 65.233  1.8597  570.086   32.482    549.674   45.767    590.804   46.108    64.056  2.6675  66.410  2.5921  -2.353828      3.719497 
1 1 1 -2  -1  19 o 292.853 5.5464  11526.43  435.020   11708.74  615.205   11344.12  615.217   295.177 7.7812  290.528 7.9059  4.648376       11.09282 
1 1 1 -2  -1  20 o 63.782  1.8820  545.102   32.152    541.977   45.303    548.274   45.638    63.597  2.6595  63.966  2.6637  -0.3683395     3.764062 
1 1 1 -2  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -1  22 o 91.618  2.2329  1125.74   54.788    1142.47   77.386    1108.92   77.577    92.301  3.1302  90.934  3.1851  1.367203       4.465720 
1 1 1 -2  -1  23 o 48.686  2.2088  309.775   26.853    346.120   48.202    293.420   32.336    50.661  3.5752  46.711  2.5947  3.950523       4.417511 
1 1 1 -2  -1  24 o 146.382 3.0899  2880.04   121.096   2848.45   173.292   2910.19   169.289   145.589 4.4439  147.175 4.2944  -1.586029      6.179812 
1 1 1 -2  -1  25 f 110.486 2.5425  1635.77   75.131    1766.21   108.646   1516.23   104.008   114.704 3.5363  106.269 3.6540  8.435402       5.084994 
1 1 1 -2  -1  26 o 109.957 2.5741  1623.60   75.739    1621.28   109.514   1625.74   104.860   109.875 3.7212  110.039 3.5577  -0.1640320     5.148270 
1 1 1 -2  -1  27 o 177.638 3.6116  4248.07   171.806   4315.92   245.900   4183.36   240.145   179.019 5.1282  176.257 5.0867  2.762665       7.223130 
1 1 1 -2  -1  28 o 171.690 3.5209  3970.30   161.872   4010.97   231.998   3931.72   225.966   172.538 5.0201  170.842 4.9381  1.696518       7.041723 
1 1 1 -2  -1  29 o 55.041  2.0944  411.337   30.432    376.143   45.404    440.042   41.005    52.819  3.2248  57.262  2.6735  -4.443012      4.188893 
1 1 1 -2  -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -1  31 o 26.244  2.5392  91.278    17.049    118.488   27.017    73.271    21.978    29.455  3.4924  23.033  3.6869  6.422146       5.078454 
1 1 1 -2  -1  32 o 69.428  2.2451  657.800   41.124    592.004   61.295    711.665   55.459    66.145  3.4718  72.710  2.8477  -6.565086      4.490287 
1 1 1 -2  -1  33 o 20.057  2.5706  55.959    13.018    56.611    20.804    55.540    16.690    20.081  4.0083  20.033  3.2195  0.4860115E-01  5.141158 
1 1 1 -2  -1  34 o 120.607 2.8556  1987.25   91.904    1914.65   134.376   2051.05   125.976   118.428 4.2362  122.787 3.8304  -4.358627      5.711174 
1 1 1 -2  -1  35 o 20.793  2.7810  61.352    14.384    58.987    23.841    62.705    18.036    20.336  4.4964  21.251  3.2738  -0.9143944     5.561943 
1 1 1 -2  -1  36 o 50.891  2.2080  357.047   29.357    332.660   45.316    374.683   38.537    49.268  3.4558  52.515  2.7493  -3.247478      4.416054 
1 1 1 -2  -1  37 o 45.715  2.4471  304.680   27.772    217.919   43.120    366.183   36.305    39.529  4.1337  51.901  2.6201  -12.37136      4.894115 
1 1 1 -2  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  -1  39 o 57.024  2.3427  452.008   34.759    435.972   55.063    462.632   44.817    55.922  3.6970  58.126  2.8786  -2.204243      4.685491 
1 1 1 -2  -1  40 o 26.575  2.7666  92.920    18.306    138.040   31.567    70.059    22.470    31.134  3.8688  22.017  3.9558  9.117607       5.533162 
1 1 1 -2  -1  41 f 17.658  3.3853  41.944    15.620    65.737    28.324    31.546    18.724    20.684  5.1361  14.632  4.4115  6.051294       6.770549 
1 1 1 -2  -1  42 o 13.566  3.3512  20.664    14.424    42.375    26.161    11.180    17.290    16.549  5.2536  10.582  4.1619  5.967673       6.702404 
1 1 1 -2  -1  43 f 31.131  2.9731  146.686   22.354    138.251   38.580    150.950   27.428    29.772  5.0162  32.489  3.1931  -2.716545      5.946281 
1 1 1 -2  -1  44 o 10.532  3.1668  2.5356    14.593    17.447    26.422    -4.0094   17.504    12.599  5.0813  8.4640  3.7810  4.135188       6.333658 
1 1 1 -2  -1  45 o 24.508  4.8567  122.546   32.365    89.160    74.508    130.311   35.932    20.371  8.4121  28.645  4.8566  -8.274588      9.713431 
1 1 1 -2  -1  46 o 17.667  3.7124  45.340    17.441    79.301    33.670    32.887    20.389    21.057  5.7898  14.277  4.6483  6.779408       7.424876 
1 1 1 -2  -1  47 o 13.987  3.6543  23.113    16.882    61.920    33.135    9.5072    19.619    17.793  5.9322  10.180  4.2690  7.613305       7.308571 
1 1 1 -2  0   1  o 212.618 3.9970  6062.46   227.603   5946.95   320.021   6180.70   323.772   210.567 5.6741  214.668 5.6310  -4.100876      7.993955 
1 1 1 -2  0   2  o 94.003  2.2159  1184.21   55.779    1213.47   78.811    1154.85   78.956    95.167  3.0918  92.839  3.1752  2.328186       4.431810 
1 1 1 -2  0   3  o 477.582 8.8445  30773.29  1131.03   29899.74  1599.47   31646.95  1599.58   470.753 12.685  484.411 12.328  -13.65839      17.68892 
1 1 1 -2  0   4  o 331.656 6.1640  14782.44  547.548   14627.94  774.141   14937.10  774.559   329.916 8.7605  333.396 8.6737  -3.479553      12.32798 
1 1 1 -2  0   5  o 482.921 8.9528  31454.86  1158.04   31446.05  1637.53   31463.66  1637.89   482.853 12.662  482.989 12.661  -0.1354065     17.90551 
1 1 1 -2  0   6  o 170.615 3.3859  3902.74   154.707   3979.56   218.671   3825.75   218.906   172.298 4.7383  168.932 4.8379  3.365860       6.771758 
1 1 1 -2  0   7  o 83.927  2.0904  943.810   46.983    961.293   66.306    926.180   66.584    84.708  2.9224  83.146  2.9898  1.562080       4.180799 
1 1 1 -2  0   8  o 208.233 4.0159  5814.19   223.985   5807.96   316.566   5820.44   316.960   208.121 5.6788  208.344 5.6798  -0.2233734     8.031772 
1 1 1 -2  0   9  f 650.385 11.937  57223.44  2079.54   57379.04  2940.80   57067.82  2941.05   651.279 16.858  649.492 16.906  1.787109       23.87481 
1 1 1 -2  0   10 o 177.401 3.4956  4218.16   166.098   4200.43   234.699   4235.95   235.096   177.027 4.9497  177.774 4.9373  -0.7471771     6.991183 
1 1 1 -2  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  0   12 o 44.055  1.6702  260.809   19.630    266.715   27.631    254.791   27.892    44.562  2.3230  43.548  2.4005  1.014778       3.340496 
1 1 1 -2  0   13 f 186.983 3.7104  4686.42   185.809   4599.37   262.481   4773.85   263.068   185.241 5.2902  188.725 5.2042  -3.483429      7.420872 
1 1 1 -2  0   14 o 194.738 3.8141  5083.41   198.930   5154.36   281.155   5012.28   281.504   196.100 5.3528  193.375 5.4349  2.724197       7.628299 
1 1 1 -2  0   15 o 399.616 7.3968  21460.12  791.461   22110.62  1119.56   20810.24  1119.03   405.691 10.303  393.542 10.616  12.14832       14.79362 
1 1 1 -2  0   16 o 427.591 7.8933  24585.31  903.852   25135.71  1278.44   24035.24  1278.04   432.395 11.038  422.787 11.286  9.608093       15.78666 
1 1 1 -2  0   17 o 309.310 5.8477  12845.61  484.425   12636.27  684.670   13055.44  685.491   306.781 8.3323  311.840 8.2069  -5.058624      11.69534 
1 1 1 -2  0   18 o 229.094 4.3874  7041.87   269.186   6901.26   380.275   7183.08   381.099   226.798 6.2599  231.389 6.1490  -4.591934      8.774796 
1 1 1 -2  0   19 o 170.498 3.4837  3900.55   159.017   4034.64   224.758   3766.17   225.011   173.438 4.8382  167.558 5.0136  5.879166       6.967364 
1 1 1 -2  0   20 f 170.997 3.3509  3925.16   153.369   3748.09   216.470   4103.63   217.325   167.116 4.8361  174.878 4.6397  -7.761353      6.701787 
1 1 1 -2  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  0   22 o 343.627 6.4717  16004.15  595.624   16190.08  842.220   15818.11  842.458   345.648 9.0971  341.606 9.2073  4.042603       12.94341 
1 1 1 -2  0   23 o 318.037 6.0504  13707.73  515.390   13574.35  728.501   13841.39  729.242   316.471 8.5942  319.602 8.5187  -3.131012      12.10078 
1 1 1 -2  0   24 o 227.683 4.4426  6992.62   270.858   6799.61   382.638   7186.48   383.465   224.513 6.3629  230.853 6.2016  -6.340286      8.885186 
1 1 1 -2  0   25 o 188.122 3.6956  4764.41   186.213   4757.94   263.119   4770.90   263.571   187.994 5.2254  188.249 5.2273  -0.2554626     7.391160 
1 1 1 -2  0   26 o 179.172 3.6436  4322.35   174.857   4335.24   247.125   4309.42   247.447   179.442 5.1417  178.903 5.1639  0.5391541      7.287145 
1 1 1 -2  0   27 o 162.870 3.3943  3570.55   148.071   3540.12   209.176   3601.11   209.634   162.172 4.8156  163.568 4.7849  -1.396317      6.788590 
1 1 1 -2  0   28 o 28.317  1.9781  108.638   14.792    102.699   20.760    114.762   21.082    27.516  2.8585  29.118  2.7352  -1.601894      3.956290 
1 1 1 -2  0   29 o 65.683  2.0181  579.255   35.498    565.399   49.996    593.341   50.411    64.889  2.8766  66.476  2.8312  -1.586838      4.036103 
1 1 1 -2  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  0   31 o 123.040 2.8957  2053.70   95.026    1929.47   138.094   2165.44   130.963   119.431 4.3169  126.650 3.8606  -7.218674      5.791317 
1 1 1 -2  0   32 o 104.787 2.6356  1491.86   73.559    1403.17   107.830   1569.07   100.602   101.796 3.9548  107.778 3.4849  -5.982040      5.271126 
1 1 1 -2  0   33 o 20.269  2.7462  63.291    13.699    37.999    22.114    79.042    17.451    16.483  4.7494  24.055  2.7584  -7.571930      5.492351 
1 1 1 -2  0   34 o 22.110  2.4662  65.189    13.805    81.903    22.651    55.312    17.413    24.297  3.5885  19.923  3.3841  4.373934       4.932430 
1 1 1 -2  0   35 o 20.428  2.6973  56.144    13.945    73.771    22.684    45.435    17.682    22.944  3.8258  17.911  3.8032  5.033443       5.394504 
1 1 1 -2  0   36 o 9.4237  2.7119  2.5923    10.582    12.447    17.660    -2.9280   13.217    11.182  4.2570  7.6657  3.3610  3.515883       5.423888 
1 1 1 -2  0   37 o 42.849  2.2623  250.790   25.175    258.310   40.373    246.005   32.202    43.266  3.5142  42.432  2.8499  0.8338737      4.524540 
1 1 1 -2  0   38 o 20.694  3.1485  64.001    16.416    54.250    27.239    69.564    20.572    19.189  5.1792  22.200  3.5817  -3.011028      6.297054 
1 1 1 -2  0   39 o 20.035  3.1724  61.591    16.010    48.947    27.462    68.100    19.704    18.144  5.3114  21.926  3.4706  -3.782206      6.344796 
1 1 1 -2  0   40 o 22.489  3.1355  70.447    17.349    88.631    30.642    61.868    21.047    24.357  4.8671  20.622  3.9544  3.735056       6.271063 
1 1 1 -2  0   41 o 22.253  3.2457  83.729    17.817    48.445    30.733    101.593   21.867    17.686  5.7026  26.819  3.1013  -9.132822      6.491405 
1 1 1 -2  0   42 o 22.578  3.3770  86.433    18.952    55.626    32.729    101.974   23.245    18.509  5.8763  26.648  3.3295  -8.138784      6.753962 
1 1 1 -2  0   43 o 12.757  3.3709  21.929    15.453    9.9643    28.173    27.078    18.481    12.032  5.0843  13.481  4.4273  -1.448142      6.741732 
1 1 1 -2  0   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  0   45 o 16.183  3.8542  39.496    17.826    55.567    35.506    34.080    20.612    17.725  6.1367  14.641  4.6649  3.083336       7.708421 
1 1 1 -2  0   46 o 15.833  3.8182  36.245    17.498    66.127    34.891    26.203    20.226    18.702  6.0804  12.965  4.6200  5.737123       7.636497 
1 1 1 -2  1   1  o 50.749  2.0447  350.522   25.996    331.908   44.691    360.040   31.958    49.655  3.3804  51.843  2.3014  -2.188717      4.089466 
1 1 1 -2  1   2  o 570.423 10.634  44073.39  1622.32   46848.52  2296.14   41307.07  2292.49   588.553 14.565  552.293 15.497  36.25952       21.26759 
1 1 1 -2  1   3  o 285.544 5.3691  10948.63  410.635   11021.35  580.741   10875.92  580.711   286.495 7.5679  284.593 7.6181  1.901367       10.73819 
1 1 1 -2  1   4  o 638.350 11.892  55354.06  2027.92   60063.48  2871.31   50666.87  2864.53   665.819 16.100  610.881 17.507  54.93799       23.78469 
1 1 1 -2  1   5  o 359.968 6.6977  17423.89  645.599   16957.19  912.555   17891.54  913.477   355.123 9.5938  364.812 9.3484  -9.689392      13.39532 
1 1 1 -2  1   6  o 73.000  1.9255  713.885   37.648    709.903   53.136    717.900   53.349    72.795  2.7252  73.204  2.7208  -0.4088898     3.850935 
1 1 1 -2  1   7  o 368.270 6.8117  18232.66  671.697   18762.04  950.173   17703.84  949.674   373.633 9.4944  362.906 9.7699  10.72723       13.62333 
1 1 1 -2  1   8  o 572.011 10.579  44193.84  1619.78   42383.29  2289.17   46009.29  2292.27   560.181 15.257  583.841 14.658  -23.66028      21.15726 
1 1 1 -2  1   9  o 202.306 3.9405  5487.04   213.523   5468.02   301.785   5506.11   302.149   201.955 5.5790  202.658 5.5663  -0.7026520     7.880923 
1 1 1 -2  1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  1   11 o 416.172 7.7293  23293.55  860.943   24350.73  1218.21   22238.64  1216.90   425.645 10.685  406.700 11.171  18.94574       15.45857 
1 1 1 -2  1   12 o 364.237 6.7773  17817.31  661.189   17727.77  934.797   17906.95  935.327   363.319 9.6060  365.155 9.5631  -1.836029      13.55458 
1 1 1 -2  1   13 o 407.845 7.5143  22351.48  820.828   22612.32  1160.83   22090.65  1160.82   410.233 10.565  405.457 10.689  4.775452       15.02866 
1 1 1 -2  1   14 o 150.936 3.0668  3054.02   123.905   3177.53   175.159   2930.32   175.297   153.993 4.2466  147.879 4.4257  6.114807       6.133529 
1 1 1 -2  1   15 o 93.337  2.2511  1167.30   56.250    1122.13   79.362    1212.89   79.738    91.522  3.2374  95.152  3.1286  -3.630272      4.502144 
1 1 1 -2  1   16 o 177.164 3.5527  4207.08   168.584   4229.19   238.272   4184.93   238.556   177.630 5.0080  176.697 5.0405  0.9328918      7.105415 
1 1 1 -2  1   17 o 204.522 3.9142  5609.12   214.413   5668.74   303.086   5549.39   303.366   205.612 5.5034  203.433 5.5675  2.178940       7.828391 
1 1 1 -2  1   18 o 87.059  2.1672  1015.55   50.533    1000.05   71.280    1031.22   71.651    86.391  3.0804  87.728  3.0493  -1.336723      4.334403 
1 1 1 -2  1   19 o 33.771  1.7671  154.589   15.720    177.407   22.194    131.614   22.270    36.317  2.2933  31.225  2.6890  5.091898       3.534127 
1 1 1 -2  1   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  1   21 o 373.734 7.0828  18952.48  708.885   19371.68  1002.64   18533.49  1002.39   377.920 9.9050  369.548 10.127  8.372040       14.16561 
1 1 1 -2  1   22 o 236.705 4.5818  7551.64   290.490   7545.01   410.573   7558.28   411.057   236.602 6.4786  236.809 6.4806  -0.2074585     9.163556 
1 1 1 -2  1   23 o 20.978  2.0835  60.773    11.145    74.908    15.891    47.086    15.637    23.498  2.5665  18.459  3.2829  5.038673       4.167086 
1 1 1 -2  1   24 o 50.432  1.8250  341.906   24.568    334.848   34.578    349.100   34.912    49.904  2.5958  50.961  2.5659  -1.056160      3.649973 
1 1 1 -2  1   25 o 87.720  2.2239  1032.49   52.252    1028.58   73.720    1036.44   74.071    87.553  3.1436  87.887  3.1465  -0.3340225     4.447793 
1 1 1 -2  1   26 o 149.704 3.1375  3013.76   125.802   3045.17   177.724   2982.22   178.099   150.490 4.4091  148.919 4.4650  1.571213       6.275083 
1 1 1 -2  1   27 o 199.134 3.9436  5349.11   210.340   5312.67   297.227   5385.66   297.705   198.451 5.5917  199.817 5.5624  -1.366211      7.887224 
1 1 1 -2  1   28 o 70.526  2.0785  668.174   39.233    695.652   55.331    640.388   55.639    71.989  2.8695  69.062  3.0078  2.926506       4.157059 
1 1 1 -2  1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  1   30 o 130.045 2.8256  2282.22   98.395    2342.93   139.089   2221.41   139.214   131.790 3.9402  128.301 4.0510  3.489609       5.651195 
1 1 1 -2  1   31 o 96.097  2.4208  1245.66   62.306    1259.64   88.014    1231.61   88.215    96.642  3.4001  95.552  3.4468  1.090302       4.841598 
1 1 1 -2  1   32 o 28.955  2.0276  115.092   15.335    131.177   21.440    98.241    21.944    31.106  2.5970  26.804  3.1146  4.302301       4.055264 
1 1 1 -2  1   33 f 28.053  2.0389  107.398   15.099    107.836   21.177    106.946   21.532    28.117  2.8514  27.988  2.9151  0.1287556      4.077771 
1 1 1 -2  1   34 o 70.102  2.0954  665.833   39.319    693.733   55.609    637.940   55.602    71.588  2.9001  68.617  3.0253  2.971283       4.190849 
1 1 1 -2  1   35 o 53.883  2.6430  398.347   34.395    399.672   63.569    397.799   40.899    53.662  4.4632  54.104  2.8321  -0.4415970     5.285922 
1 1 1 -2  1   36 o 87.587  2.4764  1044.97   57.713    1089.06   87.471    1010.98   76.802    89.129  3.6640  86.046  3.3324  3.082687       4.952739 
1 1 1 -2  1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  1   38 o 35.007  2.4077  170.302   21.535    171.185   35.204    169.774   27.223    34.910  3.8277  35.104  2.9218  -0.1944122     4.815388 
1 1 1 -2  1   39 o 18.805  3.0256  59.800    16.304    14.896    26.980    85.629    20.462    12.897  5.1582  24.712  3.1641  -11.81466      6.051297 
1 1 1 -2  1   40 o 14.453  3.3652  29.199    14.301    31.478    25.876    28.196    17.160    14.986  5.2359  13.920  4.2290  1.065570       6.730484 
1 1 1 -2  1   41 o 13.031  3.0898  7.2207    13.963    53.433    26.108    -11.2906  16.524    18.513  5.1016  7.5485  3.4871  10.96449       6.179519 
1 1 1 -2  1   42 o 8.8956  2.7016  -2.1795   12.757    -33.5562  23.517    10.902    15.185    7.6742  3.7159  10.117  3.9226  -2.442799      5.403253 
1 1 1 -2  1   43 o 23.647  3.4261  96.306    19.713    64.324    34.512    111.794   24.016    19.471  6.0128  27.822  3.2862  -8.351597      6.852207 
1 1 1 -2  1   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  1   45 o 39.440  2.9141  234.057   28.538    252.130   49.697    225.165   34.858    39.740  4.7638  39.140  3.3576  0.6005211      5.828135 
1 1 1 -2  1   46 o 18.091  3.5460  64.730    19.640    28.170    37.027    79.044    23.168    13.858  5.8407  22.323  4.0227  -8.465605      7.091955 
1 1 1 -2  2   1  o 436.211 8.0742  25637.67  943.367   25529.47  1334.14   25745.88  1334.10   435.285 11.443  437.138 11.394  -1.852295      16.14833 
1 1 1 -2  2   2  o 212.393 4.0917  6050.94   232.762   5978.27   329.161   6123.63   329.189   211.115 5.8210  213.671 5.7519  -2.555237      8.183436 
1 1 1 -2  2   3  o 625.361 11.592  53106.98  1935.43   48176.49  2732.97   58067.48  2741.28   595.847 17.124  654.874 15.628  -59.02716      23.18355 
1 1 1 -2  2   4  o 770.565 14.466  81324.70  2963.21   92892.57  4199.43   69853.52  4181.84   826.349 18.973  714.781 21.843  111.5679       28.93232 
1 1 1 -2  2   5  o 556.746 10.250  41878.02  1528.46   41779.73  2161.43   41976.34  2161.72   556.087 14.511  557.404 14.479  -1.317810      20.49936 
1 1 1 -2  2   6  o 240.271 4.5752  7744.62   294.424   7839.30   416.382   7649.95   416.376   241.742 6.4306  238.799 6.5097  2.942230       9.150367 
1 1 1 -2  2   7  o 505.763 9.3498  34490.38  1265.99   33248.03  1789.37   35735.56  1791.40   496.583 13.453  514.942 12.988  -18.35883      18.69960 
1 1 1 -2  2   8  o 293.177 5.4795  11535.26  430.278   11606.66  608.485   11463.86  608.524   294.086 7.7248  292.267 7.7734  1.818542       10.95891 
1 1 1 -2  2   9  o 396.821 7.3484  21174.95  780.315   20097.55  1102.59   22256.01  1104.47   386.668 10.646  406.974 10.132  -20.30527      14.69686 
1 1 1 -2  2   10 o 289.982 7.7083  11304.76  598.586   11603.30  848.516   11009.00  844.555   293.806 10.782  286.159 11.019  7.646362       15.41655 
1 1 1 -2  2   11 o 179.006 3.5563  4295.04   170.483   4200.81   240.886   4389.60   241.313   177.037 5.0799  180.975 4.9782  -3.937378      7.112558 
1 1 1 -2  2   12 o 773.194 14.218  81021.84  2944.48   81163.46  4164.04   80880.20  4164.19   773.878 20.089  772.510 20.125  1.367981       28.43549 
1 1 1 -2  2   13 o 626.268 11.548  52930.13  1937.09   52434.09  2738.94   53426.54  2740.00   623.311 16.405  629.226 16.258  -5.914551      23.09645 
1 1 1 -2  2   14 o 544.159 10.025  39889.23  1461.10   39735.04  2066.02   40043.52  2066.60   543.101 14.202  545.217 14.151  -2.115601      20.04924 
1 1 1 -2  2   15 o 181.190 3.6525  4400.71   177.245   4466.29   250.570   4335.04   250.754   182.542 5.1248  179.838 5.2057  2.704498       7.304979 
1 1 1 -2  2   16 o 211.495 4.1340  5998.08   234.182   6033.46   331.058   5962.65   331.310   212.120 5.8268  210.870 5.8659  1.250061       8.268034 
1 1 1 -2  2   17 f 145.583 3.0023  2840.93   117.070   2859.65   165.439   2822.16   165.685   146.064 4.2287  145.102 4.2630  0.9616394      6.004612 
1 1 1 -2  2   18 o 130.138 2.7981  2270.91   97.512    2325.15   137.783   2216.48   138.024   131.697 3.9060  128.579 4.0077  3.117752       5.596258 
1 1 1 -2  2   19 o 170.585 3.3807  3905.21   154.464   3888.39   218.256   3922.09   218.634   170.216 4.7871  170.953 4.7748  -0.7370300     6.761301 
1 1 1 -2  2   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  2   21 o 180.282 3.5944  4370.24   173.482   4530.25   245.362   4210.28   245.320   183.595 4.9895  176.969 5.1754  6.626083       7.188876 
1 1 1 -2  2   22 o 85.507  2.1552  980.649   49.361    979.131   69.630    982.183   69.986    85.441  3.0426  85.574  3.0534  -0.1326218     4.310471 
1 1 1 -2  2   23 o 132.650 2.8924  2363.83   102.749   2410.78   145.169   2316.70   145.451   133.974 4.0454  131.326 4.1350  2.648788       5.784780 
1 1 1 -2  2   24 o 165.701 3.3990  3694.35   150.790   3819.08   213.157   3569.41   213.341   168.514 4.7225  162.888 4.8898  5.625946       6.797997 
1 1 1 -2  2   25 o 53.423  1.9879  383.875   28.345    385.000   40.048    382.745   40.123    53.502  2.8044  53.343  2.8182  0.1586838      3.975742 
1 1 1 -2  2   26 o 69.613  2.0539  650.131   38.274    620.260   53.775    680.800   54.487    67.990  2.9529  71.236  2.8557  -3.245209      4.107834 
1 1 1 -2  2   27 o 129.402 2.7943  2251.63   96.841    2285.68   136.756   2217.39   137.152   130.388 3.9158  128.416 3.9874  1.971542       5.588670 
1 1 1 -2  2   28 o 107.760 2.4967  1561.31   72.054    1530.14   101.656   1592.78   102.144   106.676 3.5578  108.844 3.5037  -2.168350      4.993339 
1 1 1 -2  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  2   30 o 74.477  2.0868  746.216   41.618    722.849   58.521    770.124   59.197    73.294  2.9810  75.660  2.9211  -2.365906      4.173594 
1 1 1 -2  2   31 o 54.243  1.9450  397.180   28.160    419.241   39.656    374.741   39.994    55.813  2.6527  52.673  2.8453  3.140030       3.890038 
1 1 1 -2  2   32 o 17.979  2.4949  45.427    11.572    51.647    16.357    39.193    16.374    19.282  3.2850  16.677  3.7560  2.605223       4.989868 
1 1 1 -2  2   33 o 84.128  2.2590  959.028   50.903    962.803   71.818    955.218   72.157    84.298  3.1807  83.957  3.2087  0.3412781      4.518085 
1 1 1 -2  2   34 o 29.819  2.0580  122.231   16.119    133.652   22.445    110.067   23.163    31.320  2.7020  28.317  3.1048  3.002844       4.115901 
1 1 1 -2  2   35 o 72.632  2.1612  717.827   41.988    758.329   59.277    677.042   59.483    74.723  2.9617  70.541  3.1482  4.182114       4.322367 
1 1 1 -2  2   36 o 27.381  2.2797  105.170   15.976    128.456   22.522    81.589    22.665    30.626  2.7757  24.137  3.6172  6.489164       4.559440 
1 1 1 -2  2   37 o 29.355  2.1646  119.314   16.724    127.259   23.528    111.199   23.777    30.393  2.9263  28.317  3.1905  2.076780       4.329229 
1 1 1 -2  2   38 o 63.934  2.1260  561.585   36.400    548.281   51.374    574.995   51.581    63.157  3.0369  64.710  2.9760  -1.553341      4.251977 
1 1 1 -2  2   39 o 27.605  2.9520  115.262   19.462    94.593    32.877    126.413   24.147    25.109  5.0633  30.101  3.0365  -4.992046      5.903999 
1 1 1 -2  2   40 o 25.910  3.1979  107.249   19.515    78.986    33.499    121.766   24.009    22.411  5.5973  29.408  3.0945  -6.997293      6.395744 
1 1 1 -2  2   41 o 18.238  3.4495  47.984    16.060    63.412    29.629    41.567    19.110    19.931  5.4111  16.545  4.2799  3.385332       6.899098 
1 1 1 -2  2   42 o 22.003  3.4645  75.720    18.834    76.321    33.448    75.440    22.790    21.507  5.7105  22.500  3.9244  -0.9929733     6.928983 
1 1 1 -2  2   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  2   44 o 26.792  3.5516  119.312   22.428    105.185   40.337    125.634   26.984    24.409  6.1673  29.176  3.5244  -4.766382      7.103271 
1 1 1 -2  2   45 o 14.430  3.6929  29.248    17.031    50.877    31.840    20.580    20.156    16.805  5.8116  12.055  4.5579  4.750685       7.385760 
1 1 1 -2  3   1  o 336.915 6.2956  15258.93  568.002   15643.23  803.573   14875.19  802.979   341.170 8.7936  332.660 9.0119  8.510010       12.59129 
1 1 1 -2  3   2  o 295.697 5.5532  11747.58  439.488   11213.02  621.179   12283.35  621.882   288.940 8.0264  302.453 7.6765  -13.51294      11.10634 
1 1 1 -2  3   3  o 228.074 4.3643  6978.90   266.556   6810.24   376.859   7147.75   377.077   225.312 6.2446  230.837 6.0987  -5.524673      8.728637 
1 1 1 -2  3   4  o 396.236 7.3293  21121.07  777.852   21266.15  1100.12   20976.04  1099.98   397.602 10.330  394.869 10.400  2.733337       14.65859 
1 1 1 -2  3   5  o 435.068 8.0360  25483.41  936.237   26115.39  1324.46   24852.24  1323.61   440.487 11.226  429.649 11.502  10.83801       16.07191 
1 1 1 -2  3   6  o 410.033 7.5825  22613.79  832.721   22370.11  1177.43   22857.64  1177.86   407.814 10.779  412.252 10.667  -4.438446      15.16490 
1 1 1 -2  3   7  o 379.938 7.0228  19399.09  714.683   19429.95  1010.73   19368.23  1010.70   380.241 9.9240  379.635 9.9395  0.6064148      14.04565 
1 1 1 -2  3   8  o 213.694 4.1341  6123.40   236.572   5968.42   334.383   6278.73   334.743   210.984 5.9171  216.405 5.7750  -5.421158      8.268171 
1 1 1 -2  3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  3   10 o 362.459 6.7828  17649.95  658.162   18317.22  931.261   16984.04  930.303   369.324 9.4140  355.593 9.7675  13.73123       13.56567 
1 1 1 -2  3   11 o 449.451 8.3176  27174.07  1000.73   28254.41  1416.01   26096.03  1414.49   458.414 11.532  440.487 11.989  17.92706       16.63518 
1 1 1 -2  3   12 o 186.091 3.6847  4642.24   183.608   4767.96   259.670   4516.53   259.653   188.613 5.1400  183.569 5.2809  5.044296       7.369325 
1 1 1 -2  3   13 o 549.956 10.151  40754.05  1494.75   39520.32  2112.83   41990.29  2114.98   541.574 14.565  558.339 14.142  -16.76447      20.30144 
1 1 1 -2  3   14 f 437.293 8.1490  25719.03  954.155   26504.22  1349.94   24935.14  1348.82   443.991 11.351  430.596 11.695  13.39474       16.29800 
1 1 1 -2  3   15 o 174.167 3.4702  4067.31   161.799   4219.29   228.805   3915.29   228.832   177.425 4.8146  170.909 4.9988  6.516418       6.940351 
1 1 1 -2  3   16 o 363.002 6.8104  17720.81  661.992   18198.00  936.372   17243.98  936.024   367.908 9.5021  358.096 9.7588  9.811493       13.62077 
1 1 1 -2  3   17 o 71.170  1.9700  678.656   37.553    676.976   52.919    680.360   53.297    71.082  2.7795  71.259  2.7924  -0.1772842     3.939939 
1 1 1 -2  3   18 o 252.812 4.8002  8593.04   324.957   8356.16   459.124   8830.81   459.996   249.308 6.8755  256.315 6.7002  -7.007629      9.600302 
1 1 1 -2  3   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  3   20 o 147.238 3.0615  2910.65   120.730   2870.80   170.471   2950.74   171.006   146.225 4.3525  148.251 4.3065  -2.025818      6.122921 
1 1 1 -2  3   21 f 174.741 3.5164  4105.38   164.551   4194.74   232.627   4015.90   232.793   176.652 4.9165  172.831 5.0288  3.821564       7.032777 
1 1 1 -2  3   22 o 231.388 4.4977  7221.10   278.647   6983.72   393.630   7459.53   394.503   227.552 6.4583  235.225 6.2615  -7.673660      8.995333 
1 1 1 -2  3   23 o 54.859  1.8935  403.615   27.821    408.200   39.223    398.973   39.467    55.173  2.6542  54.545  2.7014  0.6284294      3.787092 
1 1 1 -2  3   24 o 76.723  2.0756  789.712   42.648    771.448   60.242    808.062   60.384    75.833  2.9659  77.614  2.9046  -1.781387      4.151299 
1 1 1 -2  3   25 o 75.367  2.1240  762.269   42.867    775.886   60.420    748.468   60.829    76.046  2.9663  74.687  3.0407  1.359154       4.247933 
1 1 1 -2  3   26 f 80.161  2.1284  862.287   45.683    831.271   64.213    894.070   65.004    78.699  3.0463  81.622  2.9733  -2.922722      4.256788 
1 1 1 -2  3   27 o 223.606 4.2912  6766.59   256.996   6838.99   363.369   6694.12   363.526   224.816 6.0344  222.396 6.1027  2.419937       8.582315 
1 1 1 -2  3   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  3   29 o 202.999 4.0924  5606.54   222.513   5624.97   314.497   5588.06   314.866   203.340 5.7744  202.658 5.8006  0.6826324      8.184767 
1 1 1 -2  3   30 o 82.815  2.1846  923.904   48.452    903.394   68.293    944.692   68.753    81.886  3.1137  83.744  3.0651  -1.858482      4.369226 
1 1 1 -2  3   31 o 36.116  1.9355  176.711   18.580    175.258   25.950    178.239   26.613    35.967  2.7137  36.266  2.7604  -0.2989578     3.870951 
1 1 1 -2  3   32 o 114.138 2.6447  1770.14   80.853    1773.74   114.155   1766.51   114.533   114.259 3.7300  114.017 3.7503  0.2418976      5.289461 
1 1 1 -2  3   33 o 67.922  2.0657  624.516   37.579    617.476   52.900    631.688   53.393    67.535  2.9244  68.309  2.9182  -0.7742920     4.131385 
1 1 1 -2  3   34 o 39.989  1.9665  217.505   20.918    207.095   29.238    228.419   29.939    38.996  2.8182  40.981  2.7433  -1.984997      3.932922 
1 1 1 -2  3   35 o 19.629  2.5779  54.796    12.999    62.138    18.129    47.027    18.649    21.098  3.3176  18.160  3.9466  2.937958       5.155733 
1 1 1 -2  3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  3   37 o 15.002  2.8808  32.284    11.898    28.419    16.360    36.623    17.335    14.100  4.0917  15.904  4.0565  -1.804289      5.761671 
1 1 1 -2  3   38 o 14.486  3.0193  30.362    12.510    30.698    17.369    30.000    18.033    14.551  4.2139  14.420  4.3251  0.1309490      6.038513 
1 1 1 -2  3   39 o 18.877  2.7076  51.980    13.220    54.006    18.883    50.033    18.515    19.257  3.7959  18.496  3.8620  0.7617130      5.415136 
1 1 1 -2  3   40 o 22.542  2.5637  73.669    14.943    72.024    20.651    75.477    21.650    22.295  3.5793  22.790  3.6714  -0.4955463     5.127416 
1 1 1 -2  3   41 o 34.654  3.3548  184.156   25.612    176.789   50.767    186.671   29.664    33.013  5.9606  36.294  3.0805  -3.281204      6.709581 
1 1 1 -2  3   42 o 20.227  3.4186  54.325    17.670    101.879   32.643    34.615    21.016    25.473  4.9627  14.981  4.7030  10.49225       6.837132 
1 1 1 -2  3   43 o 17.656  3.6406  50.963    17.419    47.775    32.901    52.205    20.533    16.961  5.9053  18.351  4.2595  -1.389286      7.281182 
1 1 1 -2  3   44 o 33.086  3.6765  194.644   27.022    136.088   47.789    222.165   32.762    27.065  6.6419  39.107  3.1545  -12.04273      7.352968 
1 1 1 -2  4   1  o 22.782  1.5105  70.328    9.0622    62.647    12.798    78.052    12.834    21.508  2.2551  24.055  2.0102  -2.547308      3.021028 
1 1 1 -2  4   2  o 452.868 8.3817  27631.77  1016.62   28038.97  1438.14   27225.04  1437.31   456.222 11.769  449.513 11.938  6.708588       16.76348 
1 1 1 -2  4   3  o 272.577 5.1457  9975.03   375.490   10355.18  531.358   9595.84   530.689   277.777 7.1417  267.377 7.4101  10.39981       10.29146 
1 1 1 -2  4   4  o 258.730 4.9013  8981.89   339.661   9012.51   480.380   8951.27   480.326   259.172 6.9200  258.289 6.9429  0.8836365      9.802592 
1 1 1 -2  4   5  o 332.784 6.1791  14874.28  550.711   15145.18  779.065   14603.71  778.581   335.821 8.6612  329.747 8.8152  6.074036       12.35816 
1 1 1 -2  4   6  f 183.710 3.5959  4523.92   176.936   4492.75   250.152   4555.13   250.299   183.076 5.1013  184.343 5.0692  -1.267807      7.191720 
1 1 1 -2  4   7  o 234.656 4.4922  7384.70   282.309   7522.38   399.290   7247.07   399.199   236.846 6.2941  232.465 6.4112  4.380295       8.984414 
1 1 1 -2  4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  4   9  o 523.379 9.6559  36900.38  1353.35   37765.38  1914.56   36036.52  1913.30   529.544 13.498  517.213 13.811  12.33057       19.31179 
1 1 1 -2  4   10 o 621.659 11.413  52157.72  1900.29   52682.93  2687.74   51632.77  2687.10   624.812 16.060  618.506 16.220  6.305786       22.82578 
1 1 1 -2  4   11 o 406.694 7.5793  22225.40  825.568   22548.19  1167.73   21902.83  1167.33   409.656 10.642  403.732 10.795  5.923889       15.15862 
1 1 1 -2  4   12 o 175.508 3.4512  4129.05   162.180   4259.92   229.433   3998.35   229.283   178.290 4.8044  172.726 4.9559  5.564133       6.902411 
1 1 1 -2  4   13 o 403.591 7.4626  21887.15  806.718   21903.36  1140.81   21870.94  1140.94   403.741 10.549  403.441 10.558  0.2999573      14.92524 
1 1 1 -2  4   14 o 276.906 5.1887  10291.66  384.583   10734.41  544.223   9850.02   543.544   282.868 7.1830  270.945 7.4897  11.92331       10.37742 
1 1 1 -2  4   15 o 175.992 3.5487  4152.52   167.264   4073.15   236.351   4232.16   236.744   174.305 5.0624  177.678 4.9746  -3.372971      7.097501 
1 1 1 -2  4   16 o 140.101 2.9252  2631.39   109.759   2672.85   155.109   2589.81   155.338   141.208 4.1010  138.995 4.1724  2.213058       5.850408 
1 1 1 -2  4   17 o 374.254 6.9993  18900.09  701.409   19450.04  992.219   18350.75  991.666   379.736 9.7552  368.771 10.040  10.96466       13.99854 
1 1 1 -2  4   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  4   19 o 205.974 4.0581  5705.59   223.876   5764.16   316.472   5646.93   316.745   207.037 5.7069  204.911 5.7711  2.125626       8.116246 
1 1 1 -2  4   20 o 124.002 2.7300  2064.06   90.641    1994.68   127.882   2134.11   128.490   121.904 3.9166  126.101 3.8042  -4.196800      5.459979 
1 1 1 -2  4   21 o 76.710  2.0807  789.180   42.750    789.649   60.269    788.705   60.648    76.733  2.9324  76.686  2.9526  0.4659271E-01  4.161374 
1 1 1 -2  4   22 o 115.390 2.5903  1787.86   80.034    1835.50   113.066   1740.03   113.304   116.935 3.6099  113.845 3.7157  3.089546       5.180547 
1 1 1 -2  4   23 o 81.130  2.1347  883.273   46.336    830.222   65.197    937.422   65.868    78.664  3.0943  83.596  2.9417  -4.931725      4.269443 
1 1 1 -2  4   24 o 164.782 3.3890  3653.72   149.510   3518.03   211.067   3790.38   211.812   161.698 4.8733  167.865 4.7109  -6.167877      6.778028 
1 1 1 -2  4   25 o 149.883 3.0934  3021.28   124.187   3026.66   175.503   3015.89   175.752   150.017 4.3677  149.748 4.3818  0.2691498      6.186829 
1 1 1 -2  4   26 o 80.570  2.1542  871.502   46.486    877.136   65.632    865.831   65.851    80.832  3.0314  80.307  3.0614  0.5244904      4.308303 
1 1 1 -2  4   27 o 114.893 2.6527  1776.16   81.630    1752.06   115.297   1800.38   115.588   114.108 3.7723  115.677 3.7306  -1.568748      5.305443 
1 1 1 -2  4   28 o 149.856 3.1821  3033.59   127.723   3021.99   180.400   3045.24   180.856   149.568 4.5031  150.144 4.4971  -0.5759277     6.364120 
1 1 1 -2  4   29 o 114.646 2.6232  1773.95   80.542    1803.15   113.771   1744.63   114.036   115.600 3.6744  113.692 3.7447  1.907646       5.246341 
1 1 1 -2  4   30 o 63.022  2.0167  534.997   34.040    526.616   47.846    543.586   48.439    62.521  2.8572  63.522  2.8470  -1.000713      4.033420 
1 1 1 -2  4   31 o 110.772 2.5982  1664.27   77.089    1658.88   108.880   1669.68   109.163   110.591 3.6757  110.952 3.6733  -0.3603897     5.196473 
1 1 1 -2  4   32 f 68.533  2.1165  636.149   38.800    673.799   54.889    598.546   54.855    70.582  2.9033  66.483  3.0805  4.099121       4.233039 
1 1 1 -2  4   33 o 50.784  1.9981  350.933   27.004    375.910   38.023    325.514   38.358    52.645  2.7056  48.923  2.9409  3.722881       3.996149 
1 1 1 -2  4   34 o 33.543  2.0257  154.374   17.918    171.026   25.209    137.374   25.472    35.434  2.6758  31.652  3.0419  3.781342       4.051316 
1 1 1 -2  4   35 o 37.514  2.0606  193.655   20.335    223.816   28.823    163.765   28.693    40.519  2.6708  34.509  3.1386  6.009743       4.121102 
1 1 1 -2  4   36 o 8.6871  2.5321  2.4958    9.7546    8.3780    13.871    -3.2588   13.720    9.6295  3.7448  7.7447  3.4093  1.884814       5.064298 
1 1 1 -2  4   37 o 34.505  2.1319  165.038   19.465    173.437   27.256    156.297   27.807    35.451  2.8956  33.559  3.1297  1.892765       4.263733 
1 1 1 -2  4   38 o 20.308  2.7374  60.593    14.254    76.630    20.177    44.615    20.139    23.260  3.3339  17.357  4.3427  5.903629       5.474839 
1 1 1 -2  4   39 o 25.602  2.3406  93.420    15.630    98.319    21.828    88.264    22.392    26.370  3.1529  24.835  3.4602  1.534534       4.681200 
1 1 1 -2  4   40 o 24.965  2.5051  90.409    16.093    75.623    22.493    105.916   23.035    22.678  3.8402  27.252  3.2179  -4.573978      5.010184 
1 1 1 -2  4   41 o 30.790  2.3956  137.745   19.161    155.223   26.585    118.852   27.641    33.069  3.0353  28.511  3.7071  4.557163       4.791208 
1 1 1 -2  4   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  4   43 o 17.234  3.1754  46.953    14.807    52.068    21.683    42.483    20.269    18.116  4.4910  16.352  4.4905  1.763771       6.350846 
1 1 1 -2  4   44 o 18.999  3.8251  65.636    19.934    54.839    38.180    69.682    23.372    17.116  6.3129  20.882  4.3212  -3.765751      7.650179 
1 1 1 -2  5   1  o 133.749 2.8119  2397.43   100.725   2435.87   142.486   2359.03   142.408   134.822 3.9457  132.677 4.0073  2.144882       5.623774 
1 1 1 -2  5   2  o 207.475 4.0100  5773.06   222.789   5927.00   315.236   5619.44   314.906   210.242 5.5979  204.708 5.7432  5.534317       8.020082 
1 1 1 -2  5   3  o 217.230 4.1869  6328.23   243.608   6386.85   344.695   6269.73   344.332   218.237 5.8968  216.224 5.9454  2.012573       8.373816 
1 1 1 -2  5   4  o 228.596 4.3502  7007.91   266.355   6974.92   376.696   7040.90   376.669   228.057 6.1668  229.135 6.1373  -1.077774      8.700336 
1 1 1 -2  5   5  o 399.888 7.3892  21496.42  791.391   21810.24  1119.43   21182.85  1118.97   402.817 10.375  396.960 10.524  5.856842       14.77840 
1 1 1 -2  5   6  o 567.658 10.425  43458.54  1585.09   43284.13  2241.57   43632.98  2241.75   566.511 14.773  568.805 14.714  -2.294128      20.85027 
1 1 1 -2  5   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  5   8  o 107.548 2.3967  1549.97   69.012    1496.31   97.513    1603.82   97.682    105.682 3.4448  109.414 3.3331  -3.732033      4.793392 
1 1 1 -2  5   9  o 570.312 10.446  43840.34  1595.66   43899.04  2256.62   43781.65  2256.58   570.696 14.763  569.928 14.782  0.7684937      20.89143 
1 1 1 -2  5   10 o 270.754 5.1333  9832.54   372.271   9829.77   526.414   9835.30   526.528   270.716 7.2598  270.792 7.2593  -0.7626343E-01 10.26657 
1 1 1 -2  5   11 o 406.129 7.5718  22162.18  823.621   22427.96  1164.91   21896.52  1164.64   408.571 10.645  403.686 10.771  4.885132       15.14354 
1 1 1 -2  5   12 o 164.030 3.2610  3605.66   143.272   3626.59   202.570   3584.70   202.664   164.507 4.5973  163.553 4.6263  0.9534912      6.522069 
1 1 1 -2  5   13 o 123.846 2.6677  2055.12   88.485    2023.41   124.997   2086.98   125.278   122.888 3.7975  124.804 3.7476  -1.916336      5.335358 
1 1 1 -2  5   14 o 403.309 7.4831  21881.79  808.246   22317.11  1143.26   21446.82  1142.81   407.337 10.479  399.281 10.686  8.055603       14.96614 
1 1 1 -2  5   15 o 102.503 2.3589  1408.62   64.717    1469.25   91.500    1347.93   91.547    104.713 3.2624  100.294 3.4079  4.418991       4.717707 
1 1 1 -2  5   16 o 248.575 4.7808  8302.96   318.251   8480.82   450.097   8125.15   450.052   251.246 6.6883  245.904 6.8329  5.341934       9.561524 
1 1 1 -2  5   17 o 94.074  2.2585  1186.41   56.901    1161.73   80.306    1211.30   80.636    93.091  3.2207  95.058  3.1671  -1.966537      4.516982 
1 1 1 -2  5   18 o 81.262  2.5369  876.793   52.732    856.381   65.134    915.620   89.833    79.921  3.0427  82.603  4.0602  -2.682076      5.073789 
1 1 1 -2  5   19 o 92.391  2.2503  1145.13   55.668    1177.90   78.669    1112.26   78.785    93.718  3.1340  91.065  3.2300  2.652786       4.500506 
1 1 1 -2  5   20 o 91.662  2.2717  1127.08   55.769    1107.36   78.711    1146.96   79.028    90.856  3.2344  92.468  3.1908  -1.612175      4.543406 
1 1 1 -2  5   21 o 87.463  2.1881  1026.32   51.235    984.906   72.199    1068.33   72.718    85.683  3.1459  89.243  3.0421  -3.560028      4.376243 
1 1 1 -2  5   22 o 111.710 2.5463  1675.24   76.183    1646.85   107.507   1703.88   107.973   110.757 3.6239  112.662 3.5781  -1.904663      5.092638 
1 1 1 -2  5   23 o 43.450  1.9364  254.297   22.412    259.373   31.491    249.088   31.905    43.895  2.6914  43.005  2.7848  0.8902512      3.872822 
1 1 1 -2  5   24 o 78.279  2.0985  822.155   43.987    796.701   61.977    847.991   62.440    77.056  3.0029  79.501  2.9322  -2.445160      4.197045 
1 1 1 -2  5   25 o 116.253 2.6678  1816.46   83.060    1845.20   117.302   1787.57   117.629   117.179 3.7374  115.327 3.8080  1.851974       5.335616 
1 1 1 -2  5   26 o 72.046  2.0757  697.010   40.053    702.966   56.567    691.022   56.719    72.355  2.9188  71.736  2.9519  0.6194534      4.151304 
1 1 1 -2  5   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  5   28 o 112.914 2.5858  1720.00   78.150    1791.19   110.406   1648.52   110.635   115.274 3.5758  110.555 3.7362  4.719025       5.171593 
1 1 1 -2  5   29 o 45.764  1.9406  282.985   23.671    288.509   33.281    277.330   33.673    46.224  2.6998  45.304  2.7885  0.9198952      3.881297 
1 1 1 -2  5   30 o 109.888 2.5988  1636.13   76.488    1640.07   107.914   1632.14   108.430   110.026 3.6618  109.750 3.6885  0.2755203      5.197505 
1 1 1 -2  5   31 o 57.743  1.9872  450.435   30.730    455.618   43.250    445.150   43.671    58.083  2.7800  57.402  2.8404  0.6816864      3.974444 
1 1 1 -2  5   32 o 19.418  2.3648  52.667    11.832    47.591    16.613    57.891    16.854    18.412  3.4966  20.423  3.1849  -2.011030      4.729644 
1 1 1 -2  5   33 o 45.314  1.9503  279.281   23.545    288.760   33.213    269.705   33.383    46.104  2.7013  44.525  2.8137  1.579372       3.900515 
1 1 1 -2  5   34 o 41.419  2.0145  234.439   22.179    244.942   31.080    223.541   31.658    42.395  2.7519  40.442  2.9427  1.953156       4.028988 
1 1 1 -2  5   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  5   36 o 52.332  2.0623  376.614   28.738    399.976   40.502    352.927   40.783    54.021  2.8089  50.644  3.0203  3.376404       4.124515 
1 1 1 -2  5   37 o 17.739  2.9020  46.122    13.560    39.863    19.133    52.439    19.221    16.465  4.2939  19.013  3.9051  -2.548058      5.804076 
1 1 1 -2  5   38 o 15.803  2.9758  37.123    12.828    38.795    17.661    35.255    18.663    16.190  4.0755  15.416  4.3373  0.7747412      5.951620 
1 1 1 -2  5   39 o 29.559  2.3823  125.887   18.146    149.583   25.544    101.750   25.781    32.630  2.9548  26.487  3.7378  6.142630       4.764654 
1 1 1 -2  5   40 o 22.249  2.7378  73.145    15.668    63.575    21.755    83.460    22.584    20.590  4.0888  23.907  3.6419  -3.317343      5.475611 
1 1 1 -2  5   41 o 14.195  2.8925  30.004    12.545    44.744    17.526    14.516    17.965    17.234  3.8891  11.157  4.2826  6.077151       5.784905 
1 1 1 -2  5   42 o 25.037  2.6491  93.224    17.218    92.546    24.222    93.915    24.482    24.948  3.7400  25.126  3.7527  -0.1783295     5.298155 
1 1 1 -2  5   43 o 23.726  2.8459  88.817    16.915    114.801   23.637    61.539    24.218    28.002  3.2094  19.451  4.7007  8.551355       5.691850 
1 1 1 -2  6   1  o 101.733 2.3228  1386.69   63.289    1404.79   89.501    1368.59   89.508    102.398 3.2632  101.069 3.3064  1.328545       4.645528 
1 1 1 -2  6   2  o 408.404 7.5207  22429.11  822.673   22621.38  1163.64   22236.97  1163.23   410.161 10.592  406.647 10.680  3.513489       15.04144 
1 1 1 -2  6   3  o 240.476 4.6152  7756.04   297.272   7755.85   420.529   7756.22   420.284   240.473 6.5289  240.479 6.5250  -0.5920410E-02 9.230485 
1 1 1 -2  6   4  o 313.087 5.8337  13159.93  489.044   13568.44  692.086   12752.54  691.139   317.952 8.1266  308.223 8.3716  9.728363       11.66732 
1 1 1 -2  6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  6   6  o 511.781 9.4450  35273.41  1294.67   34912.94  1830.68   35634.09  1831.21   509.151 13.424  514.411 13.290  -5.259918      18.89007 
1 1 1 -2  6   7  f 131.270 2.7787  2309.09   97.680    2255.14   138.085   2363.13   138.197   129.734 3.9738  132.805 3.8850  -3.071304      5.557372 
1 1 1 -2  6   8  o 330.832 6.1234  14690.33  542.598   14797.27  767.379   14583.40  767.320   332.038 8.6284  329.625 8.6910  2.413483       12.24675 
1 1 1 -2  6   9  o 273.491 5.1195  10032.29  375.016   9950.87   530.262   10113.76  530.444   272.379 7.2682  274.603 7.2118  -2.223541      10.23901 
1 1 1 -2  6   10 o 517.622 9.5400  36073.07  1322.38   36952.65  1870.77   35194.71  1869.48   523.961 13.330  511.284 13.651  12.67767       19.07992 
1 1 1 -2  6   11 o 381.848 7.1306  19586.34  729.297   19651.50  1031.41   19521.19  1031.35   382.485 10.068  381.211 10.101  1.273987       14.26124 
1 1 1 -2  6   12 o 74.424  2.0099  742.039   40.061    727.999   56.600    756.133   56.710    73.719  2.8665  75.130  2.8181  -1.411278      4.019771 
1 1 1 -2  6   13 o 155.422 3.1526  3238.05   131.215   3312.80   185.539   3163.25   185.594   157.218 4.4060  153.626 4.5104  3.592636       6.305243 
1 1 1 -2  6   14 o 407.850 7.6479  22411.99  835.373   22010.50  1180.85   22814.22  1181.94   404.173 10.908  411.528 10.723  -7.354919      15.29573 
1 1 1 -2  6   15 o 203.032 4.0193  5533.15   218.566   5583.03   308.965   5483.19   309.234   203.950 5.6558  202.113 5.7122  1.836319       8.038512 
1 1 1 -2  6   16 o 25.036  1.8100  84.949    11.928    77.269    16.751    92.850    16.990    23.864  2.6662  26.209  2.4486  -2.345272      3.620005 
1 1 1 -2  6   17 o 202.122 8.0206  5512.55   434.223   5512.55   434.223   0.0000    0.0000    202.122 8.0206  ?       ?       ?              ?        
1 1 1 -2  6   18 o 172.939 3.4880  4018.98   161.567   4035.89   228.339   4002.02   228.641   173.305 4.9191  172.573 4.9464  0.7319031      6.975987 
1 1 1 -2  6   19 o 125.025 2.7584  2098.36   92.374    2095.81   130.438   2100.93   130.835   124.949 3.8975  125.101 3.9046  -0.1519394     5.516891 
1 1 1 -2  6   20 o 150.422 3.1275  3041.07   125.964   3131.94   178.100   2950.12   178.181   152.679 4.3551  148.166 4.4898  4.512772       6.254983 
1 1 1 -2  6   21 o 49.323  1.8813  327.123   24.761    322.232   34.797    332.140   35.241    48.948  2.6641  49.698  2.6570  -0.7496872     3.762626 
1 1 1 -2  6   22 o 72.684  2.1264  708.642   41.380    680.911   58.151    737.089   58.897    71.242  3.0474  74.126  2.9664  -2.884041      4.252844 
1 1 1 -2  6   23 o 36.161  1.9248  176.365   18.505    175.365   26.004    177.392   26.338    36.057  2.7124  36.265  2.7316  -0.2071495     3.849519 
1 1 1 -2  6   24 o 72.410  2.1030  703.778   40.780    716.566   57.495    690.833   57.849    73.073  2.9375  71.746  3.0103  1.327698       4.206053 
1 1 1 -2  6   25 f 58.063  1.9351  452.547   30.066    427.037   42.279    478.648   42.765    56.405  2.7985  59.722  2.6734  -3.317123      3.870222 
1 1 1 -2  6   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  6   27 o 57.723  1.9503  447.833   30.148    435.689   42.484    460.152   42.789    56.933  2.7859  58.514  2.7302  -1.580734      3.900664 
1 1 1 -2  6   28 o 20.640  2.3306  59.552    12.285    69.908    17.164    48.675    17.590    22.606  2.9017  18.673  3.6478  3.933212       4.661139 
1 1 1 -2  6   29 o 26.546  2.1339  97.746    14.534    118.451   20.401    76.408    20.710    29.547  2.6044  23.545  3.3810  6.002146       4.267831 
1 1 1 -2  6   30 o 49.369  1.9212  329.868   25.304    332.895   35.644    326.793   35.929    49.603  2.6929  49.136  2.7409  0.4670753      3.842400 
1 1 1 -2  6   31 o 43.254  1.9752  254.039   22.756    257.992   32.055    250.024   32.311    43.602  2.7590  42.906  2.8273  0.6955109      3.950413 
1 1 1 -2  6   32 f 33.177  1.9900  150.440   17.385    129.400   24.338    172.361   24.843    30.748  2.9931  35.606  2.6233  -4.858358      3.980023 
1 1 1 -2  6   33 o 23.863  2.2912  79.032    14.246    81.902    19.929    76.032    20.371    24.341  3.1292  23.386  3.3476  0.9555149      4.582417 
1 1 1 -2  6   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  6   35 o 20.292  2.5283  58.350    13.236    60.228    18.972    56.570    18.475    20.620  3.5639  19.963  3.5871  0.6573753      5.056561 
1 1 1 -2  6   36 o 24.701  2.4471  86.062    15.740    82.923    22.051    89.323    22.474    24.221  3.5005  25.182  3.4205  -0.9616165     4.894196 
1 1 1 -2  6   37 o 18.899  2.7752  52.355    13.579    56.328    18.848    48.069    19.579    19.739  3.7010  18.060  4.1364  1.678955       5.550449 
1 1 1 -2  6   38 o 29.740  2.3061  126.701   17.761    145.553   24.673    106.425   25.589    32.259  2.8860  27.222  3.5977  5.037542       4.612176 
1 1 1 -2  6   39 o 22.346  2.5725  72.836    14.866    72.090    20.906    73.600    21.144    22.228  3.6374  22.463  3.6387  -0.2356873     5.144951 
1 1 1 -2  6   40 o 25.429  2.5236  94.250    16.653    85.587    23.404    103.135   23.701    24.129  3.7425  26.730  3.3864  -2.601128      5.047199 
1 1 1 -2  6   41 o 36.832  2.4741  199.990   23.173    254.843   32.795    145.292   32.748    42.434  2.9028  31.230  4.0074  11.20462       4.948301 
1 1 1 -2  6   42 o 14.259  3.2117  31.793    14.092    38.833    19.613    24.282    20.260    15.639  4.4625  12.879  4.6203  2.759903       6.423484 
1 1 1 -2  6   43 o 10.754  2.8567  8.1394    13.027    -12.5637  17.897    31.470    18.999    7.5729  3.5423  13.935  4.4828  -6.362143      5.713465 
1 1 1 -2  7   1  o 145.722 2.9882  2845.86   116.616   2901.84   164.929   2789.88   164.911   147.156 4.1844  144.288 4.2671  2.868378       5.976361 
1 1 1 -2  7   2  o 61.611  1.8404  508.665   30.351    530.821   42.974    486.615   42.870    62.950  2.5487  60.272  2.6556  2.678703       3.680742 
1 1 1 -2  7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  7   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  7   5  o 628.502 11.527  53334.27  1940.46   53619.11  2744.59   53049.59  2743.87   630.193 16.260  626.811 16.343  3.381775       23.05390 
1 1 1 -2  7   6  o 239.743 4.5354  7706.97   291.241   7713.06   411.937   7700.88   411.818   239.838 6.4124  239.648 6.4157  0.1896057      9.070844 
1 1 1 -2  7   7  o 581.540 10.691  45591.85  1665.30   45395.21  2354.96   45788.54  2355.22   580.277 15.152  582.802 15.088  -2.524719      21.38242 
1 1 1 -2  7   8  o 160.607 3.2706  3457.05   140.663   3542.31   199.012   3371.93   198.842   162.587 4.5699  158.626 4.6800  3.960678       6.541105 
1 1 1 -2  7   9  o 229.327 4.4074  7052.72   270.618   7286.26   382.883   6819.60   382.541   233.126 6.1318  225.528 6.3327  7.597046       8.814861 
1 1 1 -2  7   10 o 600.208 11.061  48612.06  1777.59   47154.40  2512.69   50072.50  2515.09   591.135 15.870  609.282 15.412  -18.14722      22.12142 
1 1 1 -2  7   11 o 360.599 6.7303  17470.18  649.886   17005.27  918.635   17935.99  919.522   355.782 9.6399  365.417 9.3947  -9.635101      13.46060 
1 1 1 -2  7   12 o 309.000 5.8052  12822.08  480.445   12963.52  679.514   12680.68  679.389   310.709 8.1650  307.292 8.2543  3.417236       11.61035 
1 1 1 -2  7   13 o 223.034 4.3041  6674.89   257.121   6642.67   363.519   6707.15   363.728   222.495 6.0998  223.574 6.0739  -1.079102      8.608137 
1 1 1 -2  7   14 o 246.953 4.7259  8196.58   312.387   8550.78   441.974   7842.98   441.590   252.303 6.5401  241.603 6.8238  10.69992       9.451867 
1 1 1 -2  7   15 o 118.184 2.6113  1872.99   82.661    1880.18   116.790   1865.78   117.011   118.412 3.6823  117.957 3.7035  0.4553375      5.222609 
1 1 1 -2  7   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  7   17 o 197.372 3.8950  5238.92   205.909   5209.89   290.956   5268.05   291.443   196.823 5.5190  197.922 5.4976  -1.098618      7.789921 
1 1 1 -2  7   18 o 67.814  1.9911  616.630   36.165    616.351   50.988    616.912   51.304    67.799  2.8078  67.829  2.8239  -0.3039551E-01 3.982185 
1 1 1 -2  7   19 o 139.158 2.9785  2601.11   111.018   2585.81   156.766   2616.51   157.243   138.746 4.2183  139.569 4.2062  -0.8224335     5.957068 
1 1 1 -2  7   20 o 116.494 2.6164  1822.17   81.624    1858.04   115.292   1786.12   115.576   117.647 3.6587  115.341 3.7411  2.305702       5.232759 
1 1 1 -2  7   21 o 126.561 2.7864  2151.37   94.447    2108.99   133.274   2194.13   133.866   125.306 3.9708  127.816 3.9102  -2.510117      5.572878 
1 1 1 -2  7   22 o 52.831  1.9382  375.280   27.328    371.207   38.247    379.528   39.060    52.538  2.7273  53.123  2.7546  -0.5849609     3.876315 
1 1 1 -2  7   23 o 66.058  2.0167  585.455   35.681    579.691   50.290    591.297   50.633    65.731  2.8565  66.386  2.8476  -0.6551208     4.033360 
1 1 1 -2  7   24 f 68.287  2.0666  626.036   37.795    635.396   53.342    616.601   53.557    68.801  2.8946  67.773  2.9504  1.028214       4.133203 
1 1 1 -2  7   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  7   26 o 109.570 2.5708  1617.27   75.440    1584.66   106.283   1650.38   107.098   108.453 3.6587  110.687 3.6124  -2.234276      5.141571 
1 1 1 -2  7   27 o 20.062  2.3053  55.479    11.949    52.365    16.465    58.944    17.369    19.452  3.2766  20.672  3.2436  -1.219807      4.610568 
1 1 1 -2  7   28 o 50.680  1.9540  346.886   26.417    335.578   37.068    358.556   37.657    49.835  2.7882  51.526  2.7384  -1.690727      3.908042 
1 1 1 -2  7   29 o 71.130  2.1007  683.194   40.001    653.179   56.155    714.111   56.994    69.535  3.0151  72.724  2.9259  -3.189285      4.201357 
1 1 1 -2  7   30 o 20.318  2.2999  57.280    12.048    64.589    17.343    50.464    16.749    21.632  3.0803  19.004  3.4161  2.627819       4.599829 
1 1 1 -2  7   31 o 38.449  1.9565  201.193   19.938    180.216   27.922    223.019   28.480    36.366  2.8904  40.532  2.6377  -4.166550      3.913042 
1 1 1 -2  7   32 o 30.692  2.1224  129.378   17.182    136.073   24.001    122.339   24.610    31.545  2.8721  29.838  3.1256  1.706150       4.244797 
1 1 1 -2  7   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  7   34 o 23.972  2.4514  81.935    14.912    99.167    20.820    63.786    21.367    26.794  2.9499  21.150  3.9159  5.643560       4.902718 
1 1 1 -2  7   35 o 8.6629  2.5188  2.4970    9.6783    -3.9448   13.549    9.2080    13.829    7.5821  3.3603  9.7438  3.7531  -2.161665      5.037574 
1 1 1 -2  7   36 o 47.127  2.0989  307.596   26.347    310.563   36.830    304.485   37.707    47.388  2.9158  46.867  3.0198  0.5212669      4.197761 
1 1 1 -2  7   37 o 11.053  2.5789  12.120    10.657    30.706    15.039    -6.6261   15.104    14.446  3.8259  7.6593  3.4591  6.787008       5.157835 
1 1 1 -2  7   38 o 6.4579  2.0945  -15.4426  9.0985    1.5492    12.696    -33.3817  13.045    8.0180  3.4019  4.8978  2.4442  3.120143       4.188932 
1 1 1 -2  7   39 o 14.057  3.0648  29.636    12.690    30.655    17.506    28.506    18.421    14.272  4.2572  13.842  4.4100  0.4300146      6.129541 
1 1 1 -2  7   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  7   41 o 17.575  3.0357  47.991    15.092    25.382    20.894    72.656    21.823    13.180  4.6958  21.971  3.8487  -8.790854      6.071478 
1 1 1 -2  7   42 o 18.306  3.1476  54.566    15.406    62.706    21.280    45.601    22.333    20.005  4.1089  16.608  4.7693  3.396875       6.295162 
1 1 1 -2  8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  8   2  o 63.101  2.6364  534.571   44.327    560.953   64.068    510.346   61.394    64.598  3.7185  61.604  3.7384  2.994045       5.272830 
1 1 1 -2  8   3  o 185.593 3.6759  4616.92   182.726   4662.48   258.536   4571.45   258.293   186.509 5.1753  184.678 5.2217  1.830917       7.351801 
1 1 1 -2  8   4  o 386.764 7.1903  20103.16  744.400   20953.54  1053.58   19255.49  1051.90   394.959 9.9593  378.570 10.374  16.38943       14.38067 
1 1 1 -2  8   5  o 451.418 8.2929  27401.03  1002.69   27173.37  1417.99   27628.70  1418.03   449.535 11.777  453.301 11.679  -3.765778      16.58588 
1 1 1 -2  8   6  o 383.646 7.1003  19769.50  729.546   19442.34  1031.60   20096.84  1031.87   380.462 10.123  386.831 9.9590  -6.368927      14.20060 
1 1 1 -2  8   7  o 478.654 8.8202  30818.07  1130.81   30780.89  1599.26   30855.25  1599.16   478.364 12.482  478.944 12.466  -0.5801086     17.64045 
1 1 1 -2  8   8  o 103.501 2.3946  1435.15   66.382    1454.22   94.000    1416.18   93.757    104.187 3.3684  102.815 3.4045  1.372124       4.789253 
1 1 1 -2  8   9  f 771.179 14.202  80646.77  2933.54   80170.18  4148.30   81123.52  4148.99   768.872 20.143  773.486 20.026  -4.613708      28.40423 
1 1 1 -2  8   10 o 124.396 2.6661  2073.48   88.828    2094.90   125.598   2052.03   125.646   125.039 3.7501  123.752 3.7906  1.286583       5.332172 
1 1 1 -2  8   11 o 115.904 2.5366  1800.26   78.731    1754.08   111.206   1846.66   111.480   114.413 3.6288  117.395 3.5453  -2.981941      5.073246 
1 1 1 -2  8   12 f 131.988 2.8147  2335.16   99.505    2350.56   140.644   2319.73   140.798   132.424 3.9652  131.552 3.9959  0.8720703      5.629363 
1 1 1 -2  8   13 o 285.701 5.3963  10978.31  412.943   10919.02  583.840   11037.67  584.141   284.926 7.6502  286.476 7.6127  -1.549927      10.79255 
1 1 1 -2  8   14 o 218.178 4.2334  6397.66   247.346   6542.91   349.886   6252.55   349.715   220.662 5.9198  215.694 6.0532  4.968201       8.466774 
1 1 1 -2  8   15 o 252.235 6.8444  8613.86   462.368   8785.42   656.898   8445.41   650.917   254.739 9.6275  249.732 9.7311  5.007248       13.68881 
1 1 1 -2  8   16 o 61.610  1.8851  508.828   31.107    504.611   43.820    513.112   44.166    61.353  2.6666  61.868  2.6653  -0.5146790     3.770162 
1 1 1 -2  8   17 o 40.056  1.7943  216.171   19.089    195.189   26.801    237.774   27.195    38.065  2.6452  42.047  2.4250  -3.982471      3.588517 
1 1 1 -2  8   18 o 87.209  2.2232  1020.21   51.928    1003.56   73.247    1037.04   73.629    86.493  3.1617  87.926  3.1264  -1.432632      4.446418 
1 1 1 -2  8   19 o 75.710  2.0812  768.856   42.202    772.363   59.471    765.299   59.897    75.884  2.9259  75.535  2.9605  0.3491516      4.162410 
1 1 1 -2  8   20 o 48.222  1.9784  312.850   25.441    308.363   35.661    317.500   36.305    47.869  2.7934  48.575  2.8023  -0.7056885     3.956791 
1 1 1 -2  8   21 o 146.016 3.0922  2866.44   120.915   2921.03   170.825   2811.62   171.176   147.415 4.3263  144.617 4.4191  2.798416       6.184317 
1 1 1 -2  8   22 o 106.316 2.5379  1518.07   72.263    1488.63   101.924   1547.84   102.470   105.277 3.6145  107.355 3.5636  -2.077644      5.075807 
1 1 1 -2  8   23 o 73.568  2.0825  726.498   41.030    708.248   57.820    745.010   58.232    72.636  2.9719  74.501  2.9182  -1.864441      4.165089 
1 1 1 -2  8   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  8   25 o 105.286 2.4814  1492.60   69.932    1423.64   98.455    1562.83   99.349    102.821 3.5749  107.752 3.4423  -4.930832      4.962818 
1 1 1 -2  8   26 o 36.532  1.9355  180.647   18.781    187.059   26.324    173.999   26.804    37.207  2.6590  35.858  2.8134  1.349167       3.871099 
1 1 1 -2  8   27 o 37.645  1.9316  191.875   19.248    168.692   26.854    216.369   27.603    35.273  2.8672  40.016  2.5892  -4.743488      3.863266 
1 1 1 -2  8   28 o 54.038  1.9504  394.426   28.170    402.501   39.668    386.210   40.012    54.639  2.7105  53.437  2.8053  1.201683       3.900831 
1 1 1 -2  8   29 o 31.178  2.0025  132.711   16.493    141.241   23.103    123.845   23.553    32.233  2.7008  30.122  2.9574  2.111471       4.005043 
1 1 1 -2  8   30 o 74.091  2.1449  744.093   42.563    747.846   59.943    740.278   60.446    74.285  3.0126  73.896  3.0539  0.3888474      4.289783 
1 1 1 -2  8   31 o 61.075  2.0400  505.676   33.359    486.387   46.732    525.719   47.635    59.880  2.9137  62.270  2.8560  -2.389595      4.079976 
1 1 1 -2  8   32 o 54.017  2.0389  397.825   29.380    406.338   41.284    389.089   41.821    54.621  2.8315  53.413  2.9344  1.208138       4.077807 
1 1 1 -2  8   33 o 23.841  2.3118  79.409    14.324    85.198    20.118    73.456    20.401    24.786  3.0980  22.897  3.4322  1.889200       4.623593 
1 1 1 -2  8   34 o 33.531  2.1452  156.031   18.956    169.954   26.508    141.461   27.117    35.143  2.8404  31.919  3.2156  3.224342       4.290452 
1 1 1 -2  8   35 o 29.457  2.2570  121.366   17.504    124.329   24.447    118.249   25.073    29.863  3.1015  29.050  3.2799  0.8136253      4.514057 
1 1 1 -2  8   36 f 22.369  2.6411  73.565    14.855    97.439    21.162    50.373    20.857    26.337  3.0566  18.401  4.3079  7.936787       5.282108 
1 1 1 -2  8   37 o 20.544  2.7811  62.187    14.725    53.764    20.502    71.162    21.163    18.975  4.1494  22.113  3.7041  -3.137686      5.562165 
1 1 1 -2  8   38 o 17.802  3.0447  48.255    14.386    52.220    20.151    44.134    20.544    18.620  4.1469  16.984  4.4593  1.636223       6.089499 
1 1 1 -2  8   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  8   40 o 11.918  3.1074  18.847    13.077    17.227    18.012    20.653    19.017    11.566  4.3220  12.269  4.4659  -0.7031364     6.214826 
1 1 1 -2  8   41 o 11.449  2.9351  14.447    12.724    -0.3446   17.399    31.454    18.657    8.7720  3.8509  14.127  4.4306  -5.354870      5.870245 
1 1 1 -2  9   1  o 148.420 3.0651  2951.86   121.851   2942.53   172.196   2961.21   172.450   148.186 4.3384  148.655 4.3311  -0.4696045     6.130232 
1 1 1 -2  9   2  o 181.993 3.6136  4439.44   176.137   4506.96   249.167   4372.00   249.023   183.377 5.0729  180.608 5.1477  2.768661       7.227239 
1 1 1 -2  9   3  o 399.946 7.3494  21489.96  787.303   21541.27  1113.54   21438.68  1113.29   400.425 10.382  399.467 10.405  0.9573669      14.69882 
1 1 1 -2  9   4  o 99.748  2.3231  1333.00   62.054    1366.53   87.922    1299.71   87.595    100.998 3.2501  98.498  3.3202  2.500671       4.646157 
1 1 1 -2  9   5  o 396.799 7.3494  21150.73  781.102   21270.23  1104.94   21031.36  1104.35   397.922 10.367  395.675 10.420  2.246887       14.69884 
1 1 1 -2  9   6  o 732.602 13.495  72654.73  2646.48   69775.25  3740.63   75540.57  3744.75   717.916 19.453  747.288 18.709  -29.37256      26.98944 
1 1 1 -2  9   7  o 201.388 3.9525  5436.86   213.191   5514.78   301.714   5359.15   301.283   202.830 5.5536  199.946 5.6257  2.884842       7.905082 
1 1 1 -2  9   8  o 519.350 9.5426  36339.26  1327.41   36011.93  1877.10   36666.67  1877.37   516.997 13.555  521.703 13.435  -4.706360      19.08525 
1 1 1 -2  9   9  f 282.237 5.3217  10691.32  402.280   10545.74  568.858   10836.94  568.960   280.312 7.5766  284.164 7.4752  -3.851898      10.64349 
1 1 1 -2  9   10 o 126.734 2.7535  2152.55   93.468    2146.81   132.186   2158.28   132.182   126.566 3.8992  126.904 3.8888  -0.3378525     5.506948 
1 1 1 -2  9   11 o 319.305 5.9951  13714.46  512.667   13973.67  725.148   13455.44  724.893   322.334 8.3991  316.275 8.5570  6.058838       11.99025 
1 1 1 -2  9   12 o 153.325 3.1324  3153.71   128.608   3232.42   181.867   3074.99   181.892   155.241 4.3738  151.408 4.4851  3.833481       6.264709 
1 1 1 -2  9   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  9   14 o 212.538 4.1634  6075.20   237.010   6102.13   335.098   6048.24   335.267   213.012 5.8733  212.065 5.9025  0.9469910      8.326718 
1 1 1 -2  9   15 o 218.544 4.2195  6428.22   246.994   6398.15   349.131   6458.34   349.474   218.031 5.9783  219.058 5.9562  -1.027039      8.438988 
1 1 1 -2  9   16 o 186.134 3.6810  4659.89   183.482   4762.49   259.420   4557.19   259.545   188.193 5.1465  184.075 5.2642  4.118393       7.361918 
1 1 1 -2  9   17 o 87.317  2.2205  1022.88   51.925    1041.59   73.336    1004.08   73.532    88.119  3.1071  86.515  3.1732  1.604263       4.441079 
1 1 1 -2  9   18 o 109.137 2.5051  1598.97   73.212    1635.15   103.405   1562.59   103.670   110.378 3.4976  107.895 3.5872  2.482742       5.010128 
1 1 1 -2  9   19 o 173.502 3.5212  4050.28   163.592   3929.44   230.966   4171.94   231.744   170.894 5.0458  176.110 4.9129  -5.215530      7.042488 
1 1 1 -2  9   20 f 78.893  2.1990  835.537   46.442    864.179   65.497    806.577   65.861    80.256  3.0469  77.530  3.1716  2.726707       4.397981 
1 1 1 -2  9   21 o 64.254  1.9995  553.993   34.405    563.216   48.476    544.631   48.839    64.794  2.7932  63.713  2.8619  1.080761       3.999021 
1 1 1 -2  9   22 f 135.379 2.9083  2465.59   105.429   2394.00   148.763   2537.83   149.439   133.397 4.1635  137.361 4.0617  -3.963684      5.816566 
1 1 1 -2  9   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  9   24 o 57.274  1.9807  441.238   30.321    424.322   42.590    458.625   43.178    56.122  2.8425  58.426  2.7591  -2.304184      3.961383 
1 1 1 -2  9   25 o 53.318  1.9465  383.209   27.699    372.614   38.919    394.084   39.430    52.566  2.7740  54.069  2.7314  -1.502804      3.893026 
1 1 1 -2  9   26 o 14.786  2.5951  30.883    10.392    38.494    14.542    22.942    14.855    16.592  3.3869  12.980  3.9329  3.611616       5.190219 
1 1 1 -2  9   27 o 63.206  2.0428  538.952   34.523    497.180   48.346    582.414   49.314    60.693  2.9739  65.719  2.8015  -5.025414      4.085687 
1 1 1 -2  9   28 o 55.039  2.0162  410.906   29.557    445.638   41.625    375.582   41.978    57.457  2.7047  52.620  2.9907  4.837658       4.032374 
1 1 1 -2  9   29 o 17.865  2.4549  44.912    11.310    38.797    15.890    51.191    16.103    16.563  3.6776  19.167  3.2528  -2.603901      4.909729 
1 1 1 -2  9   30 o 36.124  1.9876  177.910   19.068    182.694   26.790    172.998   27.147    36.632  2.7504  35.615  2.8701  1.016750       3.975193 
1 1 1 -2  9   31 o 29.557  2.1355  120.019   16.582    105.947   23.112    134.949   23.805    27.717  3.1702  31.398  2.8620  -3.681543      4.271017 
1 1 1 -2  9   32 o 43.349  2.0363  257.017   23.505    255.426   32.916    258.673   33.576    43.218  2.8596  43.480  2.8997  -0.2623596     4.072535 
1 1 1 -2  9   33 f 12.454  2.8304  21.250    10.713    20.615    15.047    21.902    15.255    12.304  3.9926  12.605  4.0129  -0.3015900     5.660769 
1 1 1 -2  9   34 o 14.631  2.8887  30.899    12.084    40.145    17.036    21.537    17.143    16.618  3.8951  12.643  4.2669  3.975339       5.777387 
1 1 1 -2  9   35 o 23.215  2.4420  76.734    14.685    70.050    20.486    83.800    21.062    22.106  3.5825  24.324  3.3195  -2.218155      4.883945 
1 1 1 -2  9   36 o 16.194  2.9041  39.386    12.766    46.863    17.766    31.404    18.356    17.834  3.8334  14.554  4.3634  3.279538       5.808131 
1 1 1 -2  9   37 o 15.608  2.8409  36.166    12.574    20.878    17.503    52.469    18.075    12.335  4.3064  18.880  3.7065  -6.545506      5.681892 
1 1 1 -2  9   38 o 13.679  3.1027  27.394    12.950    22.577    17.778    32.840    18.903    12.637  4.3443  14.720  4.4312  -2.082851      6.205492 
1 1 1 -2  9   39 o 13.653  2.7376  23.551    12.770    -1.3877   17.555    51.576    18.610    8.7974  3.8650  18.509  3.8780  -9.711265      5.475110 
1 1 1 -2  9   40 o 9.9640  2.8655  8.1713    12.042    3.6813    16.288    13.584    17.884    9.0756  3.8521  10.852  4.2433  -1.776910      5.730960 
1 1 1 -2  10  1  o 584.383 10.689  46049.53  1672.56   44675.91  2364.12   47426.02  2366.58   575.601 15.334  593.166 14.896  -17.56561      21.37786 
1 1 1 -2  10  2  o 544.676 10.075  39968.27  1469.49   38965.60  2077.41   40972.40  2078.93   537.800 14.422  551.553 14.072  -13.75317      20.14968 
1 1 1 -2  10  3  o 414.514 7.7123  23089.31  856.262   22923.68  1210.89   23254.97  1210.98   413.022 10.946  416.006 10.868  -2.983795      15.42468 
1 1 1 -2  10  4  o 429.324 7.9451  24774.81  913.637   24750.65  1292.23   24798.96  1291.93   429.114 11.243  429.534 11.229  -0.4205017     15.89020 
1 1 1 -2  10  5  o 392.453 7.2555  20695.82  762.465   20116.73  1078.04   21275.46  1078.54   386.942 10.402  397.965 10.118  -11.02252      14.51104 
1 1 1 -2  10  6  o 190.510 3.7622  4865.77   191.940   4759.80   271.564   4971.54   271.325   188.436 5.3805  192.585 5.2599  -4.149612      7.524369 
1 1 1 -2  10  7  o 298.843 5.6368  11989.30  451.076   12313.85  638.369   11665.67  637.466   302.891 7.8686  294.794 8.0733  8.096863       11.27351 
1 1 1 -2  10  8  f 189.344 3.6935  4806.97   187.311   4867.19   265.076   4746.90   264.719   190.530 5.1942  188.159 5.2526  2.371536       7.387087 
1 1 1 -2  10  9  o 296.109 5.5686  11785.13  441.395   12270.15  624.744   11301.72  623.710   302.214 7.7179  290.005 8.0295  12.20865       11.13726 
1 1 1 -2  10  10 o 157.445 3.2023  3325.93   134.946   3177.86   190.747   3474.30   190.939   153.930 4.6264  160.959 4.4288  -7.029251      6.404558 
1 1 1 -2  10  11 o 101.861 2.4030  1391.69   65.502    1321.25   92.546    1462.41   92.723    99.274  3.4804  104.448 3.3144  -5.173920      4.806086 
1 1 1 -2  10  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  10  13 o 260.727 5.0532  9164.18   352.797   8915.99   498.569   9413.10   499.292   257.169 7.2380  264.285 7.0533  -7.115906      10.10630 
1 1 1 -2  10  14 o 249.931 4.8068  8421.12   321.763   8529.19   454.981   8312.99   455.104   251.546 6.7529  248.316 6.8425  3.230042       9.613605 
1 1 1 -2  10  15 o 94.690  2.2853  1202.90   57.940    1162.50   81.750    1243.68   82.129    93.090  3.2787  96.290  3.1844  -3.199921      4.570575 
1 1 1 -2  10  16 o 189.031 3.7621  4808.64   190.437   4684.65   269.009   4933.21   269.630   186.577 5.3829  191.484 5.2571  -4.907257      7.524168 
1 1 1 -2  10  17 o 40.559  1.8251  221.448   19.724    220.266   27.759    222.654   28.031    40.450  2.5755  40.668  2.5867  -0.2186584     3.650294 
1 1 1 -2  10  18 o 140.248 2.9733  2642.86   111.685   2670.44   157.689   2615.10   158.204   140.985 4.1758  139.510 4.2337  1.474731       5.946577 
1 1 1 -2  10  19 o 113.948 2.6174  1743.78   79.848    1677.90   112.599   1810.43   113.247   111.777 3.7609  116.118 3.6411  -4.340630      5.234725 
1 1 1 -2  10  20 o 152.587 3.2251  3132.39   131.806   3103.36   186.065   3161.64   186.740   151.876 4.5739  153.299 4.5479  -1.423294      6.450117 
1 1 1 -2  10  21 f 28.394  2.0430  109.374   15.313    111.973   21.518    106.708   21.797    28.747  2.8313  28.042  2.9461  0.7048969      4.086047 
1 1 1 -2  10  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  10  23 o 83.396  2.2689  935.699   50.656    969.732   71.660    901.707   71.618    84.918  3.1506  81.873  3.2658  3.045166       4.537794 
1 1 1 -2  10  24 o 77.514  2.1833  808.907   45.320    824.593   63.916    793.046   64.270    78.275  3.0486  76.753  3.1262  1.521622       4.366579 
1 1 1 -2  10  25 o 71.676  2.1009  692.179   40.331    696.016   56.858    688.293   57.216    71.878  2.9533  71.473  2.9887  0.4050140      4.201741 
1 1 1 -2  10  26 o 112.517 2.6167  1715.49   78.848    1675.34   111.088   1756.25   111.933   111.180 3.7304  113.855 3.6704  -2.674484      5.233338 
1 1 1 -2  10  27 o 40.483  2.0013  223.028   21.480    242.995   30.247    202.712   30.510    42.352  2.6802  38.614  2.9728  3.738354       4.002605 
1 1 1 -2  10  28 o 65.627  2.0750  582.955   36.461    562.592   51.314    603.720   51.817    64.460  2.9721  66.793  2.8964  -2.332855      4.149952 
1 1 1 -2  10  29 o 31.817  2.0684  138.533   17.348    123.374   24.346    154.168   24.726    29.999  3.0733  33.635  2.7692  -3.635317      4.136849 
1 1 1 -2  10  30 o 29.949  2.0546  122.948   16.267    124.905   22.799    120.918   23.216    30.206  2.8517  29.691  2.9587  0.5150127      4.109254 
1 1 1 -2  10  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  10  32 o 6.5891  2.1199  -10.5205  8.5734    -19.9584  11.841    -0.1210   12.430    5.3846  2.6143  7.7936  3.3379  -2.409059      4.239802 
1 1 1 -2  10  33 f 29.971  2.2503  125.059   17.782    122.199   24.755    128.107   25.559    29.618  3.1697  30.323  3.1950  -0.7052059     4.500514 
1 1 1 -2  10  34 o 24.645  2.4104  86.781    15.278    99.952    21.437    73.187    21.779    26.723  3.0495  22.567  3.7337  4.156296       4.820799 
1 1 1 -2  10  35 o 16.531  2.9124  40.751    12.841    42.071    17.592    39.247    18.787    16.858  3.9629  16.203  4.2691  0.6542416      5.824898 
1 1 1 -2  10  36 f 9.2558  2.6949  5.2050    10.768    7.2801    15.746    3.3823    14.757    9.6719  3.9149  8.8397  3.7045  0.8321829      5.389781 
1 1 1 -2  10  37 o 11.113  2.6962  11.482    11.652    31.397    16.344    -9.0998   16.615    14.461  4.0554  7.7654  3.5540  6.695436       5.392368 
1 1 1 -2  10  38 o 17.055  3.1361  44.833    14.467    41.046    19.952    49.031    21.008    16.294  4.4473  17.816  4.4229  -1.522530      6.272191 
1 1 1 -2  10  39 o 11.979  3.0641  19.913    12.632    20.081    17.746    19.740    17.986    11.999  4.3220  11.959  4.3446  0.3963280E-01  6.128277 
1 1 1 -2  11  1  o 100.898 2.3767  1363.89   64.225    1337.15   90.653    1390.84   91.003    99.905  3.3877  101.892 3.3345  -1.986832      4.753441 
1 1 1 -2  11  2  o 105.070 2.4475  1479.02   68.879    1483.04   97.380    1475.00   97.440    105.213 3.4555  104.927 3.4671  0.2858963      4.894980 
1 1 1 -2  11  3  o 91.556  2.2380  1122.96   54.884    1128.04   77.741    1117.92   77.494    91.763  3.1630  91.350  3.1672  0.4126663      4.476068 
1 1 1 -2  11  4  o 280.700 5.3390  10572.60  401.366   10391.66  567.649   10753.49  567.586   278.294 7.6153  283.106 7.4850  -4.812592      10.67794 
1 1 1 -2  11  5  o 285.222 5.3678  10917.78  410.063   10795.87  580.048   11039.58  579.785   283.627 7.6353  286.817 7.5470  -3.190430      10.73569 
1 1 1 -2  11  6  o 480.637 8.9512  31140.79  1152.36   31187.46  1630.01   31094.16  1629.34   480.999 12.652  480.276 12.666  0.7234192      17.90236 
1 1 1 -2  11  7  o 449.082 8.3228  27194.95  1001.10   27040.11  1415.84   27349.77  1415.71   447.794 11.804  450.369 11.736  -2.574677      16.64563 
1 1 1 -2  11  8  o 234.003 4.5272  7353.58   283.663   7140.33   401.118   7566.92   401.203   230.600 6.4942  237.406 6.3093  -6.806030      9.054377 
1 1 1 -2  11  9  o 146.219 3.0604  2867.50   119.858   2874.09   169.657   2860.94   169.353   146.387 4.3269  146.051 4.3291  0.3356018      6.120727 
1 1 1 -2  11  10 o 179.447 5.1114  4338.34   245.449   4502.44   344.760   4169.67   349.523   182.914 7.0369  175.979 7.4153  6.935928       10.22272 
1 1 1 -2  11  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  11  12 o 266.097 5.1153  9549.01   364.583   9561.49   515.604   9536.53   515.593   266.272 7.2294  265.922 7.2388  0.3500671      10.23054 
1 1 1 -2  11  13 o 31.133  1.7447  130.751   14.426    127.193   20.356    134.340   20.447    30.702  2.4970  31.564  2.4374  -0.8617249     3.489364 
1 1 1 -2  11  14 o 155.554 3.2430  3251.67   135.105   3305.15   191.022   3198.13   191.113   156.839 4.5472  154.270 4.6251  2.568863       6.486021 
1 1 1 -2  11  15 o 110.839 2.5040  1648.96   74.317    1599.51   104.884   1698.83   105.318   109.167 3.5870  112.511 3.4948  -3.344513      5.007973 
1 1 1 -2  11  16 o 97.852  2.3388  1284.89   61.285    1251.04   86.498    1319.00   86.842    96.556  3.3446  99.148  3.2701  -2.592278      4.677555 
1 1 1 -2  11  17 o 148.913 3.1202  2980.61   124.439   3024.24   175.843   2936.83   176.124   150.010 4.3764  147.817 4.4484  2.192337       6.240303 
1 1 1 -2  11  18 o 164.048 3.3643  3620.41   147.806   3541.21   208.704   3700.10   209.357   162.241 4.8026  165.855 4.7127  -3.613815      6.728669 
1 1 1 -2  11  19 o 201.945 3.9563  5500.06   213.993   5542.42   302.350   5457.54   302.915   202.731 5.5680  201.159 5.6220  1.571716       7.912644 
1 1 1 -2  11  20 o 51.790  1.9254  360.855   26.604    347.268   37.367    374.822   37.885    50.796  2.7568  52.784  2.6885  -1.988537      3.850722 
1 1 1 -2  11  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  11  22 o 163.614 3.4089  3620.12   149.388   3636.26   210.944   3603.89   211.592   163.986 4.8026  163.242 4.8393  0.7436066      6.817838 
1 1 1 -2  11  23 o 80.816  2.2249  879.232   48.159    867.973   67.820    890.683   68.399    80.293  3.1535  81.339  3.1395  -1.045525      4.449846 
1 1 1 -2  11  24 o 110.626 2.5791  1653.74   76.407    1611.14   107.664   1696.98   108.452   109.181 3.6816  112.070 3.6129  -2.889565      5.158208 
1 1 1 -2  11  25 o 102.962 2.4749  1434.70   68.252    1440.96   96.265    1428.38   96.783    103.192 3.4828  102.730 3.5173  0.4621124      4.949878 
1 1 1 -2  11  26 o 46.524  1.9628  293.150   24.314    273.418   34.032    313.724   34.750    44.906  2.8441  48.141  2.7059  -3.234932      3.925650 
1 1 1 -2  11  27 o 19.013  2.4528  50.516    12.005    44.049    16.632    57.549    17.345    17.681  3.6335  20.345  3.2957  -2.664303      4.905542 
1 1 1 -2  11  28 o 53.266  2.0230  385.094   28.637    335.864   39.901    437.386   41.123    49.675  3.0131  56.858  2.7003  -7.182819      4.046033 
1 1 1 -2  11  29 o 36.080  2.0381  177.700   19.473    160.670   27.142    195.764   27.954    34.263  2.9874  37.897  2.7731  -3.634449      4.076118 
1 1 1 -2  11  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  11  31 o 28.573  2.2431  113.946   16.646    132.981   23.560    94.974    23.521    31.088  2.8615  26.058  3.4552  5.030401       4.486220 
1 1 1 -2  11  32 o 17.200  2.7708  42.906    12.998    64.257    18.768    23.224    18.019    21.317  3.4014  13.083  4.3748  8.233305       5.541520 
1 1 1 -2  11  33 o 9.2116  2.5543  4.9980    9.8750    15.063    13.903    -5.2494   14.029    10.888  3.8357  7.5354  3.3741  3.352366       5.108556 
1 1 1 -2  11  34 o 36.297  2.1403  184.617   20.551    199.195   28.962    169.831   29.167    37.824  2.8804  34.770  3.1665  3.053391       4.280575 
1 1 1 -2  11  35 o 35.304  2.1867  175.680   20.452    179.167   28.574    172.017   29.286    35.708  3.0158  34.901  3.1674  0.8075943      4.373480 
1 1 1 -2  11  36 o 24.917  2.6771  92.262    16.675    121.372   23.779    64.096    23.390    29.262  3.0802  20.571  4.3795  8.690821       5.354177 
1 1 1 -2  11  37 o 14.396  4.9399  30.785    22.983    30.785    22.983    0.0000    0.0000    14.396  4.9399  ?       ?       ?              ?        
1 1 1 -2  11  38 o 19.886  2.9845  60.736    15.373    59.062    20.969    62.681    22.605    19.643  4.1172  20.130  4.3216  -0.4871578     5.968901 
1 1 1 -2  11  39 o 6.1041  2.0545  -26.5512  9.8197    -1.2281   14.256    -49.4148  13.546    7.8835  3.4726  4.3247  2.1964  3.558764       4.108939 
1 1 1 -2  12  1  o 251.426 4.7967  8478.73   323.029   8515.13   456.639   8442.27   457.024   251.968 6.7661  250.885 6.8010  1.082153       9.593450 
1 1 1 -2  12  2  o 513.035 9.5211  35470.86  1308.24   34916.82  1849.61   36025.52  1850.64   509.002 13.567  517.068 13.362  -8.066437      19.04224 
1 1 1 -2  12  3  o 487.212 8.9833  31982.41  1172.30   32059.53  1657.99   31905.31  1657.78   487.803 12.690  486.621 12.719  1.181366       17.96652 
1 1 1 -2  12  4  o 358.111 6.7210  17240.56  644.666   17349.68  911.949   17131.57  911.440   359.247 9.4774  356.974 9.5324  2.273102       13.44201 
1 1 1 -2  12  5  o 325.135 6.0726  14210.09  528.825   14363.59  748.224   14056.89  747.518   326.895 8.5454  323.374 8.6303  3.520660       12.14525 
1 1 1 -2  12  6  o 257.597 4.9441  8916.33   340.944   8582.37   482.153   9250.33   482.182   252.756 7.1219  262.437 6.8596  -9.681091      9.888107 
1 1 1 -2  12  7  o 136.419 2.8896  2496.21   105.544   2416.88   149.376   2575.31   149.147   134.251 4.1541  138.587 4.0179  -4.336121      5.779286 
1 1 1 -2  12  8  o 241.300 4.6290  7828.67   299.177   7870.03   423.309   7787.39   422.893   241.939 6.5322  240.661 6.5605  1.277710       9.257977 
1 1 1 -2  12  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  12  10 o 82.642  2.1227  915.801   46.981    901.951   66.555    929.557   66.329    82.018  3.0296  83.266  2.9741  -1.247452      4.245384 
1 1 1 -2  12  11 f 75.587  2.0525  766.038   41.553    773.374   58.922    758.780   58.608    75.947  2.8965  75.226  2.9087  0.7203598      4.104943 
1 1 1 -2  12  12 o 141.773 2.9789  2699.13   113.120   2716.82   160.067   2681.48   159.885   142.238 4.2014  141.308 4.2243  0.9302368      5.957877 
1 1 1 -2  12  13 o 179.699 3.6074  4343.10   173.624   4297.56   245.496   4388.67   245.586   178.753 5.1275  180.645 5.0756  -1.892731      7.214759 
1 1 1 -2  12  14 o 224.140 4.3779  6772.51   262.828   6806.17   371.654   6738.85   371.734   224.701 6.1751  223.580 6.2074  1.121643       8.755804 
1 1 1 -2  12  15 o 143.744 3.0216  2776.77   116.298   2861.04   164.508   2692.58   164.433   145.932 4.2087  141.557 4.3368  4.375046       6.043257 
1 1 1 -2  12  16 o 119.573 2.6859  1920.36   85.994    1974.68   121.559   1865.94   121.670   121.271 3.7423  117.876 3.8536  3.395355       5.371738 
1 1 1 -2  12  17 o 89.660  2.2666  1078.93   54.425    1099.61   76.961    1058.25   76.976    90.521  3.1742  88.799  3.2364  1.722366       4.533177 
1 1 1 -2  12  18 o 98.185  2.4050  1294.95   63.220    1337.88   89.300    1251.82   89.512    99.821  3.3400  96.548  3.4614  3.272926       4.810037 
1 1 1 -2  12  19 o 143.398 3.0232  2767.87   116.108   2722.56   163.884   2813.53   164.521   142.216 4.3023  144.581 4.2484  -2.365692      6.046344 
1 1 1 -2  12  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  12  21 o 53.671  1.9632  387.388   28.135    362.887   39.304    413.136   40.291    51.888  2.8388  55.454  2.7126  -3.566177      3.926492 
1 1 1 -2  12  22 o 82.326  2.2272  912.468   49.107    894.312   69.102    930.992   69.798    81.496  3.1657  83.155  3.1338  -1.658943      4.454430 
1 1 1 -2  12  23 o 66.668  2.0712  598.773   36.984    599.135   52.071    598.404   52.539    66.691  2.9151  66.646  2.9432  0.4447937E-01  4.142454 
1 1 1 -2  12  24 o 66.692  2.0541  599.795   36.682    579.779   51.394    620.580   52.373    65.554  2.9270  67.829  2.8827  -2.274910      4.108228 
1 1 1 -2  12  25 o 22.424  2.2995  69.798    13.163    54.383    18.291    86.355    18.957    19.722  3.5949  25.126  2.8682  -5.403728      4.598919 
1 1 1 -2  12  26 o 26.874  2.1113  98.925    14.882    88.927    20.769    109.475   21.334    25.435  3.1136  28.312  2.8522  -2.876242      4.222508 
1 1 1 -2  12  27 o 67.609  2.1228  620.062   38.428    635.045   54.136    604.844   54.558    68.447  2.9529  66.772  3.0505  1.674355       4.245591 
1 1 1 -2  12  28 o 35.383  2.0344  171.027   19.109    173.250   26.853    168.746   27.199    35.627  2.8375  35.140  2.9162  0.4875565      4.068838 
1 1 1 -2  12  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  12  30 o 36.070  2.0582  178.740   19.684    166.429   27.597    191.490   28.085    34.772  2.9922  37.368  2.8269  -2.595276      4.116348 
1 1 1 -2  12  31 o 35.503  2.1065  174.156   19.839    178.767   28.020    169.522   28.093    35.994  2.9318  35.012  3.0254  0.9822197      4.212952 
1 1 1 -2  12  32 o 35.253  2.1363  172.883   19.951    178.634   27.895    166.860   28.547    35.897  2.9267  34.610  3.1128  1.287407       4.272583 
1 1 1 -2  12  33 o 32.794  2.1995  150.682   19.076    144.044   26.565    157.749   27.411    32.031  3.1366  33.557  3.0842  -1.525970      4.398921 
1 1 1 -2  12  34 o 12.872  2.6773  20.317    11.989    43.493    16.961    -2.8268   16.950    17.166  3.7903  8.5786  3.7823  8.587255       5.354611 
1 1 1 -2  12  35 o 15.392  2.8344  34.996    13.006    14.318    18.352    55.859    18.434    11.269  4.3278  19.514  3.6612  -8.245224      5.668719 
1 1 1 -2  12  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  12  37 o 8.2765  2.5868  -2.4355   11.309    -0.1462   15.736    -4.8805   16.262    8.4942  3.6971  8.0588  3.6189  0.4354725      5.173550 
1 1 1 -2  12  38 o 16.623  3.1012  44.377    14.744    61.053    20.732    27.314    20.972    19.865  4.0342  13.382  4.7113  6.483379       6.202500 
1 1 1 -2  13  1  o 164.745 3.3733  3639.62   148.777   3771.81   210.284   3507.12   210.522   167.744 4.6802  161.746 4.8593  5.998520       6.746675 
1 1 1 -2  13  2  o 235.661 4.5593  7453.17   287.723   7636.39   406.933   7270.00   406.870   238.564 6.3684  232.759 6.5262  5.804413       9.118534 
1 1 1 -2  13  3  o 131.952 2.8726  2334.27   101.500   2398.82   143.635   2269.89   143.452   133.777 4.0086  130.129 4.1157  3.647934       5.745232 
1 1 1 -2  13  4  o 214.273 4.1901  6162.85   240.472   6223.35   340.247   6102.48   339.910   215.326 5.8994  213.220 5.9518  2.105591       8.380148 
1 1 1 -2  13  5  o 87.633  2.2175  1029.23   52.048    1044.89   73.819    1013.75   73.397    88.296  3.1213  86.970  3.1508  1.326500       4.435089 
1 1 1 -2  13  6  o 223.119 4.3006  6689.76   257.010   6740.52   363.789   6639.18   363.146   223.966 6.0643  222.272 6.0997  1.694382       8.601254 
1 1 1 -2  13  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  13  8  o 205.221 4.0325  5663.21   221.646   5588.88   313.612   5737.39   313.297   203.870 5.7431  206.573 5.6623  -2.702576      8.065085 
1 1 1 -2  13  9  o 103.353 2.4453  1433.20   67.676    1397.46   95.831    1468.76   95.586    102.065 3.5054  104.641 3.4104  -2.575874      4.890695 
1 1 1 -2  13  10 o 227.467 4.4035  6969.24   268.288   6993.56   379.593   6944.96   379.241   227.865 6.2194  227.069 6.2355  0.7964478      8.806949 
1 1 1 -2  13  11 o 22.207  1.9455  67.138    11.319    69.509    16.080    64.809    15.937    22.607  2.7094  21.807  2.7926  0.8001289      3.890990 
1 1 1 -2  13  12 o 147.919 3.1067  2939.82   123.077   2986.81   174.238   2893.02   173.878   149.102 4.3629  146.736 4.4240  2.366241       6.213438 
1 1 1 -2  13  13 o 61.113  1.9458  501.090   31.830    480.467   45.055    521.638   44.973    59.855  2.8103  62.371  2.6920  -2.515305      3.891643 
1 1 1 -2  13  14 o 217.247 4.2250  6361.23   245.845   6323.51   347.615   6398.98   347.740   216.599 5.9917  217.895 5.9582  -1.296387      8.449943 
1 1 1 -2  13  15 o 92.348  2.2935  1144.43   56.730    1133.57   80.210    1155.30   80.246    91.909  3.2582  92.788  3.2288  -0.8785934     4.587083 
1 1 1 -2  13  16 o 74.705  2.1020  748.859   42.053    764.453   59.502    733.295   59.443    75.484  2.9430  73.927  3.0020  1.557037       4.203936 
1 1 1 -2  13  17 o 76.075  2.0957  776.819   42.696    792.107   60.312    761.461   60.451    76.827  2.9309  75.323  2.9963  1.504326       4.191446 
1 1 1 -2  13  18 o 100.155 2.4099  1348.03   64.638    1316.41   91.247    1379.89   91.577    98.973  3.4420  101.338 3.3739  -2.364998      4.819815 
1 1 1 -2  13  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  13  20 o 45.781  1.9309  282.686   23.529    261.859   33.012    304.189   33.543    44.052  2.8125  47.511  2.6464  -3.459209      3.861813 
1 1 1 -2  13  21 o 14.537  2.4883  29.835    9.7001    36.572    13.559    22.774    13.883    16.194  3.2392  12.880  3.7781  3.313601       4.976589 
1 1 1 -2  13  22 o 21.075  2.2218  61.321    12.023    50.301    16.715    73.138    17.307    19.021  3.4059  23.130  2.8541  -4.109482      4.443661 
1 1 1 -2  13  23 o 47.029  1.9321  299.242   24.150    268.513   33.767    331.420   34.554    44.529  2.8460  49.529  2.6139  -5.000183      3.864185 
1 1 1 -2  13  24 o 65.831  2.0849  586.426   36.712    616.567   51.658    555.669   52.184    67.561  2.8547  64.101  3.0394  3.459801       4.169754 
1 1 1 -2  13  25 o 29.512  2.0661  118.969   16.117    120.299   22.844    117.652   22.742    29.680  2.9110  29.344  2.9328  0.3357430      4.132201 
1 1 1 -2  13  26 o 49.973  2.0061  339.384   26.729    349.298   37.680    329.341   37.923    50.723  2.7841  49.223  2.8890  1.500462       4.012157 
1 1 1 -2  13  27 o 27.808  2.1399  106.239   15.677    103.158   21.956    109.443   22.392    27.388  3.0445  28.228  3.0079  -0.8400993     4.279760 
1 1 1 -2  13  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  13  29 o 43.647  2.0421  261.119   23.710    245.185   33.302    277.498   33.765    42.266  2.9604  45.028  2.8137  -2.762260      4.084232 
1 1 1 -2  13  30 o 36.472  2.1134  183.749   20.453    186.763   28.640    180.612   29.219    36.800  2.9299  36.143  3.0467  0.6570320      4.226894 
1 1 1 -2  13  31 o 27.838  2.2786  108.626   16.668    104.667   23.422    112.688   23.726    27.301  3.2679  28.376  3.1762  -1.074520      4.557153 
1 1 1 -2  13  32 o 47.143  2.1045  308.971   26.422    294.882   36.872    323.841   37.881    46.016  3.0081  48.269  2.9441  -2.253063      4.209052 
1 1 1 -2  13  33 o 18.049  2.8907  49.203    13.943    65.898    19.678    32.370    19.759    21.337  3.5692  14.761  4.5482  6.576368       5.781487 
1 1 1 -2  13  34 o 9.5418  2.7371  5.4195    11.220    -1.7961   15.561    13.234    16.194    8.3248  3.6485  10.759  4.0812  -2.433836      5.474270 
1 1 1 -2  13  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  13  36 o 16.662  3.0337  43.204    14.280    59.547    20.077    26.474    20.314    19.896  3.9070  13.428  4.6422  6.467436       6.067473 
1 1 1 -2  13  37 o 12.977  2.8472  22.618    12.663    43.662    18.160    2.7046    17.666    16.733  4.0870  9.2214  3.9651  7.511559       5.694366 
1 1 1 -2  14  1  o 85.895  2.1489  988.604   49.430    961.234   69.591    1016.47   70.222    84.695  3.0677  87.095  3.0102  -2.400459      4.297890 
1 1 1 -2  14  2  o 300.444 5.6925  12146.11  458.079   12251.76  647.739   12040.41  647.905   301.757 8.0141  299.130 8.0865  2.626740       11.38496 
1 1 1 -2  14  3  o 59.102  1.9074  468.563   30.145    500.184   42.675    437.070   42.588    61.096  2.6078  57.109  2.7842  3.986759       3.814745 
1 1 1 -2  14  4  o 229.873 4.4653  7106.90   274.773   6822.92   388.428   7391.34   388.748   225.258 6.4379  234.489 6.1895  -9.231339      8.930634 
1 1 1 -2  14  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  14  6  o 171.394 3.4631  3946.05   158.960   4032.30   225.189   3860.38   224.420   173.266 4.8523  169.523 4.9425  3.743164       6.926242 
1 1 1 -2  14  7  o 81.162  2.1119  883.772   45.880    850.440   65.072    916.720   64.697    79.637  3.0506  82.687  2.9212  -3.049416      4.223701 
1 1 1 -2  14  8  o 69.498  1.9938  647.606   37.113    647.435   52.707    647.774   52.267    69.489  2.8318  69.507  2.8074  -0.1888275E-01 3.987606 
1 1 1 -2  14  9  o 208.590 4.0972  5858.32   228.878   5740.78   323.791   5975.70   323.576   206.487 5.8544  210.693 5.7337  -4.205475      8.194484 
1 1 1 -2  14  10 o 57.900  1.8860  449.646   29.205    481.777   41.574    418.341   41.036    59.945  2.5893  55.856  2.7429  4.089497       3.772003 
1 1 1 -2  14  11 o 112.001 2.5454  1683.96   76.347    1651.69   108.126   1716.04   107.816   110.928 3.6392  113.074 3.5599  -2.145599      5.090785 
1 1 1 -2  14  12 o 167.110 3.4366  3755.67   153.818   3727.53   217.675   3783.73   217.387   166.482 4.8815  167.738 4.8385  -1.256531      6.873143 
1 1 1 -2  14  13 o 123.439 2.7369  2046.30   90.485    2024.90   128.057   2067.65   127.873   122.792 3.8935  124.086 3.8474  -1.293594      5.473771 
1 1 1 -2  14  14 o 206.812 4.1195  5766.30   228.194   5791.12   322.823   5741.52   322.608   207.259 5.8152  206.364 5.8365  0.8944092      8.238984 
1 1 1 -2  14  15 o 188.615 3.8117  4795.99   192.490   4958.36   272.411   4634.07   272.032   191.824 5.3019  185.406 5.4778  6.417252       7.623438 
1 1 1 -2  14  16 o 198.053 3.9314  5295.32   208.520   5185.48   294.721   5405.42   295.063   195.981 5.6145  200.125 5.5046  -4.144333      7.862739 
1 1 1 -2  14  17 o 26.818  3.3589  116.675   22.294    179.956   29.756    35.706    33.659    36.474  3.0745  17.162  5.9730  19.31226       6.717857 
1 1 1 -2  14  18 o 83.297  2.6612  937.894   56.709    943.963   70.787    927.018   94.754    83.795  3.1539  82.798  4.2873  0.9975586      5.322374 
1 1 1 -2  14  19 o 50.902  1.9548  349.578   26.510    326.912   37.432    372.385   37.549    49.230  2.8509  52.574  2.6753  -3.344090      3.909577 
1 1 1 -2  14  20 o 75.894  2.1406  775.574   43.514    770.378   61.406    780.815   61.670    75.638  3.0310  76.150  3.0236  -0.5116425     4.281203 
1 1 1 -2  14  21 o 77.584  2.1558  811.813   44.792    823.826   63.155    799.653   63.538    78.167  3.0164  77.001  3.0807  1.166519       4.311578 
1 1 1 -2  14  22 o 53.688  1.9853  389.767   28.447    382.740   39.969    396.981   40.496    53.195  2.8152  54.181  2.8001  -0.9859924     3.970632 
1 1 1 -2  14  23 o 51.947  1.9664  365.407   27.259    361.469   38.365    369.423   38.739    51.664  2.7827  52.231  2.7790  -0.5676804     3.932736 
1 1 1 -2  14  24 o 25.245  2.2656  88.822    14.505    113.405   20.767    65.407    20.268    28.844  2.7202  21.646  3.6238  7.197470       4.531154 
1 1 1 -2  14  25 o 87.724  2.3476  1046.69   55.154    1056.37   77.637    1036.83   78.368    88.146  3.2883  87.302  3.3514  0.8442459      4.695177 
1 1 1 -2  14  26 o 113.695 2.7150  1772.60   82.671    1735.13   116.321   1810.85   117.517   112.466 3.8614  114.924 3.8177  -2.458450      5.430040 
1 1 1 -2  14  27 o 53.179  2.0671  386.094   29.328    387.459   41.302    384.705   41.654    53.280  2.9050  53.078  2.9414  0.2026711      4.134139 
1 1 1 -2  14  28 o 32.063  2.1575  141.811   18.287    134.166   25.675    149.682   26.051    31.158  3.1184  32.968  2.9825  -1.809641      4.315026 
1 1 1 -2  14  29 o 37.118  2.1441  190.274   21.110    179.600   29.520    201.445   30.200    36.025  3.0891  38.211  2.9741  -2.185719      4.288156 
1 1 1 -2  14  30 o 16.412  2.8188  39.337    12.363    31.958    17.275    47.085    17.701    14.803  4.1758  18.021  3.7874  -3.218364      5.637536 
1 1 1 -2  14  31 o 14.421  2.9332  29.888    12.281    20.329    16.927    40.511    17.844    12.288  4.2381  16.554  4.0563  -4.265988      5.866424 
1 1 1 -2  14  32 o 19.766  2.7838  57.744    14.202    61.613    19.722    53.577    20.468    20.561  3.7179  18.970  4.1442  1.590485       5.567527 
1 1 1 -2  14  33 o 20.432  2.8197  62.036    14.861    54.803    21.041    69.236    20.992    19.100  4.2247  21.764  3.7355  -2.664145      5.639353 
1 1 1 -2  14  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  14  35 o 15.732  2.7199  34.443    13.847    2.1731    19.059    70.520    20.152    9.5627  4.1153  21.901  3.5574  -12.33786      5.439755 
1 1 1 -2  14  36 o 12.520  2.9620  21.927    12.645    35.201    17.750    8.2453    18.020    14.987  4.2345  10.053  4.1427  4.933389       5.923956 
1 1 1 -2  15  1  o 102.021 2.3808  1395.44   65.045    1355.80   91.630    1435.70   92.349    100.560 3.4019  103.483 3.3318  -2.923187      4.761698 
1 1 1 -2  15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  15  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  15  4  o 117.720 2.6663  1859.64   84.047    1915.02   118.989   1804.50   118.732   119.473 3.7183  115.968 3.8224  3.504684       5.332634 
1 1 1 -2  15  5  o 82.439  2.1770  911.378   48.064    933.498   68.186    889.534   67.760    83.434  3.0512  81.444  3.1062  1.990318       4.354054 
1 1 1 -2  15  6  o 113.202 2.5615  1719.53   77.667    1726.39   110.101   1712.73   109.576   113.427 3.6240  112.978 3.6211  0.4494247      5.123014 
1 1 1 -2  15  7  o 175.166 3.5177  4125.19   165.038   4170.69   233.787   4079.98   233.011   176.132 4.9556  174.201 4.9939  1.931122       7.035383 
1 1 1 -2  15  8  o 29.262  1.8321  115.785   14.199    111.969   20.228    119.493   19.937    28.776  2.6543  29.748  2.5260  -0.9718075     3.664170 
1 1 1 -2  15  9  o 82.418  2.1690  911.339   47.874    895.596   67.900    926.902   67.510    81.709  3.1025  83.128  3.0320  -1.418922      4.338048 
1 1 1 -2  15  10 o 261.973 5.0248  9273.06   352.572   9370.34   498.947   9176.03   498.277   263.356 7.0733  260.590 7.1388  2.766022       10.04958 
1 1 1 -2  15  11 o 184.402 3.7000  4576.48   182.747   4588.23   258.659   4564.78   258.229   184.639 5.2302  184.165 5.2349  0.4733276      7.399924 
1 1 1 -2  15  12 o 36.651  1.9032  181.177   18.546    178.496   26.472    183.761   25.990    36.379  2.7367  36.923  2.6454  -0.5439835     3.806321 
1 1 1 -2  15  13 o 155.843 3.2419  3266.86   135.323   3285.94   191.545   3247.85   191.207   156.299 4.5754  155.388 4.5941  0.9112854      6.483790 
1 1 1 -2  15  14 o 150.751 3.2013  3058.43   129.257   3024.11   182.864   3092.70   182.731   149.902 4.5544  151.601 4.5001  -1.699127      6.402615 
1 1 1 -2  15  15 o 108.336 2.5050  1577.46   72.685    1556.91   102.856   1597.95   102.729   107.629 3.5679  109.043 3.5173  -1.414650      5.010096 
1 1 1 -2  15  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  15  17 f 45.071  1.9769  273.963   23.734    286.621   33.782    261.625   33.352    46.108  2.7479  44.034  2.8430  2.074371       3.953898 
1 1 1 -2  15  18 o 18.667  2.3845  48.823    11.376    37.047    15.978    60.930    16.201    16.253  3.7470  21.081  2.9501  -4.828032      4.768945 
1 1 1 -2  15  19 o 89.754  2.3435  1086.66   56.318    1121.33   79.648    1052.01   79.643    91.196  3.2607  88.312  3.3670  2.883392       4.687069 
1 1 1 -2  15  20 o 89.300  2.3071  1077.11   55.163    1111.97   78.095    1042.40   77.928    90.753  3.2127  87.846  3.3120  2.907043       4.614184 
1 1 1 -2  15  21 o 54.117  1.9891  396.250   28.726    385.307   40.558    407.264   40.691    53.359  2.8481  54.876  2.7774  -1.517082      3.978165 
1 1 1 -2  15  22 o 12.329  2.5341  19.818    9.6894    32.582    13.773    7.3105    13.634    15.201  3.4604  9.4563  3.7029  5.744413       5.068131 
1 1 1 -2  15  23 o 73.106  2.1760  724.361   42.604    733.947   60.101    714.680   60.401    73.600  3.0487  72.612  3.1056  0.9882584      4.351931 
1 1 1 -2  15  24 o 39.644  1.9971  213.917   21.066    217.122   29.866    210.743   29.720    39.944  2.8094  39.343  2.8393  0.6007118      3.994245 
1 1 1 -2  15  25 o 77.210  2.2461  811.724   46.447    799.545   65.525    824.024   65.848    76.621  3.1928  77.798  3.1600  -1.177345      4.492132 
1 1 1 -2  15  26 o 36.050  2.1030  179.219   19.887    209.694   28.238    149.232   28.011    39.200  2.7060  32.901  3.2199  6.299156       4.206008 
1 1 1 -2  15  27 o 36.256  2.0869  180.758   20.084    181.167   28.067    180.330   28.752    36.312  2.9102  36.201  2.9920  0.1103325      4.173874 
1 1 1 -2  15  28 o 31.631  2.2453  139.652   18.576    119.176   26.205    160.333   26.337    29.179  3.4177  34.083  2.9129  -4.903734      4.490652 
1 1 1 -2  15  29 o 27.407  2.3805  106.955   16.729    128.419   23.571    85.172    23.745    30.404  2.9307  24.409  3.7521  5.995466       4.760950 
1 1 1 -2  15  30 o 23.681  2.4497  80.052    15.075    80.987    21.245    79.104    21.396    23.838  3.4258  23.523  3.5026  0.3145618      4.899388 
1 1 1 -2  15  31 f 8.5680  2.5462  0.9822    10.160    8.5285    14.846    -5.6657   13.934    9.7224  3.8461  7.4136  3.3377  2.308742       5.092469 
1 1 1 -2  15  32 o 43.545  2.1821  266.682   25.251    249.897   35.444    283.982   35.983    42.093  3.1669  44.998  3.0028  -2.904346      4.364158 
1 1 1 -2  15  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  15  34 o 10.825  2.8950  13.617    11.574    9.4770    15.857    18.339    16.934    9.9612  3.9640  11.689  4.2203  -1.727815      5.790049 
1 1 1 -2  15  35 o 18.635  3.1337  54.961    15.424    57.909    21.523    51.849    22.115    19.249  4.2849  18.021  4.5738  1.227570       6.267345 
1 1 1 -2  16  1  o 191.694 3.8406  4940.21   197.195   4913.03   278.496   4967.54   279.259   191.164 5.4391  192.224 5.4239  -1.059692      7.681275 
1 1 1 -2  16  2  o 265.506 5.1229  9509.88   364.308   9578.12   515.048   9441.56   515.371   266.467 7.2163  264.546 7.2733  1.921478       10.24577 
1 1 1 -2  16  3  o 180.189 3.6139  4365.11   174.401   4289.37   246.457   4441.06   246.823   178.618 5.1514  181.760 5.0699  -3.141968      7.227786 
1 1 1 -2  16  4  o 181.995 3.6711  4454.27   178.952   4430.70   253.079   4477.83   253.073   181.512 5.2055  182.479 5.1778  -0.9670258     7.342131 
1 1 1 -2  16  5  f 72.618  2.0638  707.162   40.135    725.057   56.986    689.549   56.534    73.530  2.8935  71.705  2.9435  1.824745       4.127535 
1 1 1 -2  16  6  o 119.171 2.6476  1906.46   84.496    1956.10   119.838   1857.37   119.155   120.717 3.7063  117.626 3.7820  3.091423       5.295260 
1 1 1 -2  16  7  o 63.196  1.9686  535.600   33.319    533.161   47.369    537.989   46.876    63.053  2.8048  63.339  2.7631  -0.2861176     3.937162 
1 1 1 -2  16  8  o 52.231  1.9458  367.109   27.096    340.625   38.485    393.144   38.157    50.314  2.8676  54.148  2.6309  -3.833553      3.891618 
1 1 1 -2  16  9  o 52.577  1.9995  372.148   28.025    355.584   39.816    388.414   39.454    51.407  2.9035  53.747  2.7498  -2.340141      3.998998 
1 1 1 -2  16  10 o 119.228 2.6855  1909.75   85.712    1836.17   121.310   1983.10   121.119   116.927 3.8734  121.529 3.7209  -4.601601      5.371056 
1 1 1 -2  16  11 o 86.990  2.2474  1016.29   52.317    970.175   74.205    1061.88   73.773    85.022  3.2585  88.958  3.0962  -3.936821      4.494868 
1 1 1 -2  16  12 o 128.520 2.7906  2219.87   96.053    2264.94   136.160   2175.22   135.523   129.822 3.9157  127.218 3.9772  2.604218       5.581285 
1 1 1 -2  16  13 o 112.270 2.6188  1694.07   78.749    1708.94   111.671   1679.36   111.067   112.761 3.6974  111.780 3.7097  0.9814224      5.237566 
1 1 1 -2  16  14 o 61.674  2.3914  512.207   37.690    512.270   63.177    512.172   46.962    61.585  3.8493  61.763  2.8387  -0.1778030     4.782803 
1 1 1 -2  16  15 o 46.213  4.4326  290.709   54.194    290.709   54.194    0.0000    0.0000    46.213  4.4326  ?       ?       ?              ?        
1 1 1 -2  16  16 o 26.449  2.0726  95.376    14.302    110.502   20.508    81.052    19.957    28.549  2.7146  24.348  3.1327  4.200560       4.145200 
1 1 1 -2  16  17 o 34.289  1.9067  159.094   17.367    157.485   24.709    160.664   24.416    34.113  2.7271  34.466  2.6656  -0.3526077     3.813401 
1 1 1 -2  16  18 o 37.798  1.9052  193.256   19.162    193.878   27.145    192.638   27.054    37.859  2.6945  37.737  2.6942  0.1218758      3.810399 
1 1 1 -2  16  19 o 63.174  2.0692  538.344   35.013    537.804   49.626    538.878   49.406    63.141  2.9343  63.207  2.9182  -0.6548309E-01 4.138402 
1 1 1 -2  16  20 o 61.643  2.0346  513.224   33.581    497.470   47.486    528.986   47.496    60.689  2.9213  62.598  2.8328  -1.908676      4.069190 
1 1 1 -2  16  21 o 45.949  1.9842  286.534   24.287    276.642   34.520    296.231   34.177    45.148  2.8695  46.751  2.7413  -1.603577      3.968462 
1 1 1 -2  16  22 o 116.074 2.7321  1839.19   84.939    1823.69   119.972   1854.77   120.273   115.577 3.8754  116.571 3.8520  -0.9939728     5.464164 
1 1 1 -2  16  23 o 25.075  2.3555  88.269    14.809    117.075   21.306    61.347    20.598    29.280  2.7490  20.870  3.8257  8.409397       4.710948 
1 1 1 -2  16  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  16  25 o 38.034  2.0975  198.556   21.097    176.104   29.588    221.779   30.091    35.785  3.1180  40.282  2.8065  -4.496864      4.195058 
1 1 1 -2  16  26 o 37.589  2.0815  194.261   20.780    201.825   29.526    186.838   29.250    38.333  2.8971  36.845  2.9897  1.488930       4.163064 
1 1 1 -2  16  27 o 55.172  2.1702  419.759   31.942    414.752   44.956    424.865   45.394    54.837  3.0731  55.507  3.0651  -0.6704521     4.340400 
1 1 1 -2  16  28 f 20.947  2.6506  63.257    14.308    59.217    20.363    67.197    20.108    20.213  3.9024  21.681  3.5880  -1.467911      5.301207 
1 1 1 -2  16  29 o 14.859  3.0100  32.577    12.608    30.698    17.838    34.453    17.822    14.461  4.2937  15.257  4.2195  -0.7954369     6.019928 
1 1 1 -2  16  30 o 20.744  2.7853  63.844    14.816    47.284    20.802    80.892    21.106    17.719  4.4026  23.769  3.4131  -6.050261      5.570662 
1 1 1 -2  16  31 o 28.902  2.3721  119.172   18.019    121.025   25.446    117.308   25.520    29.148  3.3184  28.656  3.3906  0.4927616      4.744283 
1 1 1 -2  16  32 o 9.8122  4.2148  2.1009    19.923    2.1009    19.923    0.0000    0.0000    9.8122  4.2148  ?       ?       ?              ?        
1 1 1 -2  16  33 o 16.385  3.1629  41.628    14.404    48.743    20.478    34.661    20.264    17.778  4.3385  14.992  4.6037  2.786253       6.325890 
1 1 1 -2  16  34 o 8.0397  2.5505  -6.7267   11.740    3.0771    16.727    -16.2457  16.482    9.0909  3.8822  6.9886  3.3089  2.102296       5.101040 
1 1 1 -2  17  1  o 299.270 5.7136  12118.60  457.881   12420.14  647.375   11816.76  647.707   303.034 7.9758  295.505 8.1832  7.528839       11.42712 
1 1 1 -2  17  2  o 75.247  2.0805  759.650   41.914    782.409   59.123    736.655   59.429    76.383  2.8899  74.112  2.9938  2.270691       4.160993 
1 1 1 -2  17  3  o 203.788 4.0191  5592.44   219.325   5444.34   309.890   5741.09   310.455   201.071 5.7540  206.505 5.6128  -5.434647      8.038152 
1 1 1 -2  17  4  o 81.635  2.1725  893.956   47.504    892.405   67.196    895.506   67.166    81.564  3.0758  81.706  3.0691  -0.1419067     4.345068 
1 1 1 -2  17  5  o 152.872 3.1765  3140.92   130.064   3121.62   184.041   3160.17   183.835   152.401 4.5086  153.343 4.4759  -0.9421844     6.352993 
1 1 1 -2  17  6  o 181.294 3.6276  4422.95   176.110   4547.25   249.469   4299.46   248.647   183.844 5.0661  178.744 5.1935  5.100037       7.255240 
1 1 1 -2  17  7  o 44.366  1.9075  264.912   22.559    267.073   32.077    262.798   31.731    44.545  2.7013  44.187  2.6939  0.3587723      3.814942 
1 1 1 -2  17  8  o 201.916 4.0277  5493.60   217.830   5501.18   308.447   5486.05   307.670   202.055 5.6993  201.778 5.6927  0.2766571      8.055409 
1 1 1 -2  17  9  o 245.393 4.7378  8137.67   311.407   8170.88   440.796   8104.58   439.998   245.895 6.6927  244.890 6.7079  1.004639       9.475663 
1 1 1 -2  17  10 o 56.338  1.9807  427.755   29.702    385.471   42.155    469.444   41.857    53.517  2.9522  59.160  2.6415  -5.643009      3.961494 
1 1 1 -2  17  11 o 106.834 2.5345  1533.61   72.519    1517.77   102.829   1549.30   102.289   106.282 3.6122  107.386 3.5562  -1.103630      5.068994 
1 1 1 -2  17  12 o 74.400  2.1178  743.221   42.198    758.957   59.968    727.788   59.389    75.181  2.9780  73.618  3.0118  1.562149       4.235524 
1 1 1 -2  17  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  17  14 o 116.701 2.6746  1834.99   83.602    1829.88   118.404   1840.08   118.060   116.537 3.7933  116.865 3.7716  -0.3286362     5.349203 
1 1 1 -2  17  15 o 49.899  1.9536  335.717   25.994    350.892   37.048    321.002   36.482    51.018  2.7209  48.780  2.8040  2.237991       3.907128 
1 1 1 -2  17  16 o 27.407  1.9917  102.436   14.318    115.216   20.336    89.873    20.162    29.151  2.6329  25.663  2.9892  3.487751       3.983393 
1 1 1 -2  17  17 o 91.313  2.3314  1125.90   57.017    1143.23   80.777    1108.69   80.493    92.018  3.2774  90.608  3.3166  1.409340       4.662770 
1 1 1 -2  17  18 o 102.992 2.4989  1436.69   68.935    1438.62   97.583    1434.77   97.396    103.061 3.5350  102.923 3.5330  0.1374207      4.997817 
1 1 1 -2  17  19 o 35.967  1.9227  175.545   18.375    183.424   26.183    167.898   25.793    36.774  2.6765  35.160  2.7610  1.613792       3.845393 
1 1 1 -2  17  20 o 50.253  1.9723  342.380   26.440    341.696   37.676    343.044   37.114    50.198  2.8135  50.308  2.7649  -0.1097527     3.944652 
1 1 1 -2  17  21 o 52.695  2.0134  376.995   28.311    373.837   40.126    380.125   39.950    52.470  2.8660  52.920  2.8287  -0.4500732     4.026783 
1 1 1 -2  17  22 o 23.052  2.3303  73.773    13.969    71.504    19.866    75.993    19.646    22.676  3.3736  23.428  3.2155  -0.7525864     4.660532 
1 1 1 -2  17  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  17  24 o 28.180  2.2313  109.844   16.548    109.069   23.603    110.593   23.207    28.069  3.1964  28.290  3.1143  -0.2207203     4.462661 
1 1 1 -2  17  25 o 63.521  2.1381  552.632   36.378    550.459   51.340    554.823   51.553    63.396  3.0235  63.646  3.0241  -0.2505112     4.276264 
1 1 1 -2  17  26 o 57.259  2.1792  452.780   33.267    473.485   47.010    432.009   47.083    58.617  3.0043  55.902  3.1574  2.715160       4.358315 
1 1 1 -2  17  27 o 20.372  2.6466  59.863    13.903    56.446    19.546    63.362    19.781    19.736  3.8357  21.008  3.6477  -1.272314      5.293222 
1 1 1 -2  17  28 o 39.284  2.1308  215.316   22.249    215.417   31.539    215.216   31.392    39.290  3.0200  39.278  3.0067  0.1159668E-01  4.261524 
1 1 1 -2  17  29 o 12.446  2.9531  21.540    11.670    18.588    16.644    24.395    16.367    11.866  4.1950  13.025  4.1576  -1.159588      5.906222 
1 1 1 -2  17  30 o 35.715  2.2998  181.238   21.628    161.915   30.710    200.251   30.463    33.685  3.4525  37.744  3.0390  -4.058998      4.599521 
1 1 1 -2  17  31 o 12.925  3.1591  23.118    13.523    29.657    19.195    16.674    19.056    14.115  4.5022  11.735  4.4330  2.380231       6.318297 
1 1 1 -2  17  32 o 8.2891  2.6088  -3.8774   11.729    -7.3193   16.679    -0.5107   16.496    7.9235  3.6010  8.6548  3.7757  -0.7313075     5.217606 
1 1 1 -2  17  33 o 7.8708  2.5076  -5.2091   11.147    -2.3108   16.240    -7.7910   15.327    8.2948  3.6774  7.4468  3.4102  0.8479877      5.015194 
1 1 1 -2  18  1  o 85.814  2.2204  987.968   51.010    946.237   71.804    1030.48   72.478    83.982  3.1921  87.646  3.0874  -3.663933      4.440881 
1 1 1 -2  18  2  o 156.624 3.2860  3297.87   137.850   3285.74   194.635   3310.08   195.265   156.335 4.6481  156.913 4.6460  -0.5782013     6.571902 
1 1 1 -2  18  3  o 107.090 2.5198  1539.45   72.270    1510.75   102.051   1568.33   102.361   106.087 3.5914  108.094 3.5355  -2.006729      5.039618 
1 1 1 -2  18  4  o 79.779  2.1769  853.993   46.496    820.878   65.570    887.485   65.942    78.221  3.1297  81.337  3.0268  -3.116295      4.353893 
1 1 1 -2  18  5  o 111.114 2.5765  1658.01   76.648    1602.32   108.382   1713.73   108.411   109.243 3.7040  112.986 3.5823  -3.743286      5.152915 
1 1 1 -2  18  6  o 146.724 3.0981  2894.55   121.712   2807.61   172.222   2981.31   172.032   144.514 4.4493  148.934 4.3125  -4.420288      6.196231 
1 1 1 -2  18  7  o 64.003  2.0576  549.527   35.273    553.525   50.113    545.601   49.656    64.233  2.9127  63.772  2.9070  0.4611855      4.115218 
1 1 1 -2  18  8  o 132.212 2.8959  2349.90   102.525   2421.97   145.458   2278.75   144.530   134.233 4.0457  130.192 4.1446  4.041199       5.791838 
1 1 1 -2  18  9  o 29.181  2.0481  115.471   15.756    125.213   22.440    105.998   22.127    30.421  2.7849  27.941  3.0038  2.479258       4.096121 
1 1 1 -2  18  10 o 109.288 2.5874  1605.82   75.739    1608.12   107.458   1603.56   106.768   109.364 3.6684  109.211 3.6499  0.1527863      5.174836 
1 1 1 -2  18  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  18  12 o 134.331 2.9596  2433.90   106.483   2419.78   150.907   2447.90   150.276   133.938 4.2064  134.724 4.1644  -0.7855530     5.919165 
1 1 1 -2  18  13 o 44.068  1.9285  262.120   22.641    255.712   32.226    268.366   31.816    43.528  2.7786  44.608  2.6752  -1.080402      3.857067 
1 1 1 -2  18  14 o 136.867 2.9904  2535.17   109.584   2626.13   155.398   2445.20   154.557   139.331 4.1640  134.403 4.2933  4.927765       5.980881 
1 1 1 -2  18  15 o 19.161  2.3869  50.989    11.797    53.747    16.815    48.314    16.556    19.696  3.3043  18.626  3.4454  1.070004       4.773793 
1 1 1 -2  18  16 o 106.819 2.5609  1544.96   73.266    1568.96   103.832   1521.17   103.397   107.652 3.6010  105.986 3.6423  1.665512       5.121834 
1 1 1 -2  18  17 o 79.300  2.2268  850.398   47.287    875.206   67.125    825.956   66.625    80.457  3.1148  78.144  3.1831  2.312904       4.453590 
1 1 1 -2  18  18 o 71.919  2.1275  699.830   40.978    689.768   58.086    709.800   57.817    71.398  3.0374  72.441  2.9798  -1.043312      4.254974 
1 1 1 -2  18  19 o 30.306  2.0641  125.554   16.528    121.206   23.626    129.723   23.131    29.770  3.0040  30.843  2.8316  -1.072393      4.128153 
1 1 1 -2  18  20 o 12.413  2.6495  20.717    9.8095    28.034    14.102    13.859    13.654    14.079  3.6936  10.748  3.7996  3.330709       5.299036 
1 1 1 -2  18  21 o 53.654  2.0479  391.832   29.321    390.110   41.543    393.542   41.389    53.533  2.9082  53.776  2.8840  -0.2429733     4.095730 
1 1 1 -2  18  22 o 27.417  2.1820  103.862   15.682    94.329    22.137    113.466   22.220    26.098  3.2363  28.736  2.9277  -2.638479      4.364058 
1 1 1 -2  18  23 o 15.524  2.7298  34.598    11.318    37.078    16.068    32.156    15.944    16.077  3.7927  14.971  3.9271  1.105646       5.459577 
1 1 1 -2  18  24 o 54.953  2.1395  415.197   31.366    407.725   44.314    422.699   44.404    54.444  3.0511  55.462  3.0002  -1.017582      4.279078 
1 1 1 -2  18  25 o 19.746  2.7542  57.074    14.038    79.195    20.170    36.293    19.549    23.737  3.2583  15.756  4.4413  7.981100       5.508355 
1 1 1 -2  18  26 o 23.487  2.5573  80.743    14.890    52.218    20.866    110.337   21.254    18.813  4.2421  28.162  2.8572  -9.348261      5.114632 
1 1 1 -2  18  27 o 50.565  2.1709  356.912   29.227    377.453   41.441    336.585   41.226    52.074  2.9836  49.056  3.1542  3.017864       4.341733 
1 1 1 -2  18  28 o 10.919  2.9386  13.106    12.003    9.1444    17.218    16.851    16.741    10.295  4.1194  11.544  4.1919  -1.249563      5.877243 
1 1 1 -2  18  29 o 17.105  3.0401  44.087    14.093    54.242    20.163    34.388    19.706    19.082  4.0692  15.127  4.5177  3.954811       6.080160 
1 1 1 -2  18  30 o 27.543  2.6236  110.651   18.615    130.633   26.716    91.794    25.953    30.190  3.3609  24.896  4.0296  5.294025       5.247192 
1 1 1 -2  18  31 o 31.025  2.4592  139.902   20.054    133.207   28.442    146.521   28.281    30.205  3.5856  31.844  3.3667  -1.639353      4.918468 
1 1 1 -2  19  1  o 67.913  2.0151  618.540   36.653    607.919   51.545    629.402   52.129    67.323  2.8585  68.503  2.8411  -1.179840      4.030196 
1 1 1 -2  19  2  o 195.292 3.8985  5137.01   203.923   5148.65   288.028   5125.31   288.755   195.517 5.5000  195.068 5.5266  0.4490204      7.796966 
1 1 1 -2  19  3  o 101.615 2.4398  1385.97   66.397    1358.08   93.600    1414.22   94.202    100.584 3.4742  102.645 3.4264  -2.061203      4.879562 
1 1 1 -2  19  4  o 187.779 3.8006  4749.77   191.155   4735.96   270.256   4763.60   270.413   187.504 5.3811  188.053 5.3686  -0.5490570     7.601200 
1 1 1 -2  19  5  o 71.216  2.0973  680.612   39.992    658.363   56.472    702.997   56.644    70.046  3.0100  72.385  2.9216  -2.339531      4.194698 
1 1 1 -2  19  6  o 88.571  2.3024  1053.69   54.588    1013.92   77.319    1093.22   77.080    86.899  3.3219  90.242  3.1889  -3.343552      4.604782 
1 1 1 -2  19  7  o 116.861 2.6823  1835.85   83.957    1826.10   119.015   1845.51   118.453   116.550 3.8124  117.172 3.7743  -0.6218643     5.364649 
1 1 1 -2  19  8  o 125.950 2.7936  2134.48   94.241    2125.71   133.651   2143.15   132.907   125.690 3.9699  126.210 3.9316  -0.5201797     5.587248 
1 1 1 -2  19  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  19  10 o 144.683 3.1669  2826.03   122.720   2865.34   173.988   2787.12   173.121   145.689 4.4587  143.677 4.4986  2.012695       6.333775 
1 1 1 -2  19  11 o 65.383  2.0830  574.759   36.473    589.468   51.950    560.462   51.218    66.210  2.9294  64.557  2.9621  1.652458       4.165925 
1 1 1 -2  19  12 o 71.846  2.1194  695.566   40.736    661.845   57.950    728.503   57.273    70.112  3.0859  73.580  2.9061  -3.468102      4.238835 
1 1 1 -2  19  13 o 64.173  2.0573  554.786   35.353    547.430   50.356    561.937   49.646    63.748  2.9491  64.598  2.8693  -0.8491707     4.114657 
1 1 1 -2  19  14 o 74.533  2.1766  750.012   43.426    724.419   61.659    775.201   61.172    73.259  3.1423  75.807  3.0127  -2.548195      4.353180 
1 1 1 -2  19  15 o 28.046  1.9963  107.178   14.788    107.032   21.149    107.318   20.687    28.021  2.8578  28.071  2.7882  -0.4953194E-01 3.992648 
1 1 1 -2  19  16 o 65.012  2.0884  571.466   36.323    607.517   51.659    536.214   51.082    67.056  2.8762  62.969  3.0287  4.087898       4.176766 
1 1 1 -2  19  17 o 74.383  2.2086  749.567   43.992    771.879   62.476    727.627   61.954    75.490  3.0898  73.276  3.1566  2.213860       4.417148 
1 1 1 -2  19  18 o 95.773  2.4501  1247.90   62.851    1254.40   89.075    1241.44   88.696    96.022  3.4633  95.523  3.4666  0.4986954      4.900222 
1 1 1 -2  19  19 o 32.708  2.0458  146.087   17.683    160.923   25.376    132.084   24.654    34.358  2.7813  31.058  3.0011  3.299664       4.091693 
1 1 1 -2  19  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  19  21 o 31.973  2.1229  140.547   17.962    138.658   25.569    142.387   25.240    31.748  3.0441  32.198  2.9598  -0.4505196     4.245832 
1 1 1 -2  19  22 o 27.564  2.2501  105.432   16.305    107.438   23.077    103.432   23.040    27.838  3.1504  27.290  3.2136  0.5484562      4.500291 
1 1 1 -2  19  23 o 15.422  2.9085  34.070    12.623    46.307    18.160    22.630    17.559    17.907  3.8969  12.938  4.3186  4.969360       5.816918 
1 1 1 -2  19  24 o 24.172  2.4656  82.745    15.491    86.438    22.010    79.119    21.806    24.742  3.4119  23.601  3.5602  1.141565       4.931152 
1 1 1 -2  19  25 o 48.856  2.1123  331.387   27.508    333.809   38.881    328.960   38.924    49.043  2.9739  48.669  3.0006  0.3740311      4.224660 
1 1 1 -2  19  26 o 14.692  3.0922  31.572    13.244    38.837    19.032    24.752    18.442    16.126  4.3196  13.258  4.4259  2.868577       6.184427 
1 1 1 -2  19  27 o 20.168  2.7630  59.926    14.368    68.034    20.455    52.029    20.186    21.651  3.6576  18.684  4.1423  2.966661       5.525995 
1 1 1 -2  19  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  19  29 o 13.491  3.1345  25.306    13.799    38.318    19.817    13.058    19.227    15.819  4.4760  11.163  4.3894  4.655704       6.269083 
1 1 1 -2  19  30 o 26.576  2.6377  104.690   18.001    86.599    25.259    123.359   25.660    23.965  4.0814  29.188  3.3425  -5.223310      5.275433 
1 1 1 -2  20  1  o 153.076 3.1853  3151.20   130.577   3068.58   184.008   3235.00   185.325   151.048 4.5481  155.103 4.4609  -4.054520      6.370658 
1 1 1 -2  20  2  o 124.068 2.7711  2068.33   92.086    2068.54   129.884   2068.11   130.578   124.076 3.9082  124.061 3.9296  0.1522827E-01  5.542184 
1 1 1 -2  20  3  o 53.530  1.9208  384.872   27.486    374.614   38.655    395.364   39.092    52.772  2.7442  54.289  2.6884  -1.516701      3.841585 
1 1 1 -2  20  4  o 110.462 2.5495  1639.48   75.431    1654.00   106.659   1624.96   106.692   110.953 3.5890  109.971 3.6221  0.9815445      5.099067 
1 1 1 -2  20  5  o 85.361  2.2538  978.602   51.530    971.823   72.840    985.394   72.909    85.064  3.1969  85.658  3.1778  -0.5933533     4.507650 
1 1 1 -2  20  6  o 50.659  1.9605  345.643   26.486    332.289   37.398    359.080   37.515    49.669  2.8228  51.649  2.7214  -1.979626      3.920978 
1 1 1 -2  20  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  20  8  o 70.858  2.1017  674.795   39.863    708.175   56.783    642.360   55.974    72.590  2.9205  69.126  3.0231  3.464066       4.203399 
1 1 1 -2  20  9  o 75.791  2.1623  772.709   43.895    778.350   62.359    767.168   61.799    76.065  3.0607  75.517  3.0552  0.5477295      4.324639 
1 1 1 -2  20  10 o 95.311  2.3665  1224.19   60.412    1237.21   85.783    1211.36   85.092    95.815  3.3426  94.807  3.3509  1.007713       4.732965 
1 1 1 -2  20  11 o 90.489  2.3468  1104.53   56.877    1123.79   80.795    1085.61   80.082    91.274  3.3048  89.705  3.3330  1.569633       4.693674 
1 1 1 -2  20  12 o 37.152  1.9411  186.743   19.151    200.912   27.529    173.457   26.659    38.532  2.6841  35.771  2.8049  2.761059       3.882253 
1 1 1 -2  20  13 o 29.702  2.0048  119.987   15.744    126.141   22.560    114.145   21.983    30.457  2.7967  28.947  2.8732  1.509731       4.009575 
1 1 1 -2  20  14 o 47.408  1.9822  304.810   25.024    288.961   35.538    320.396   35.241    46.164  2.8887  48.653  2.7151  -2.488995      3.964379 
1 1 1 -2  20  15 o 90.525  2.3940  1111.90   58.043    1130.42   82.441    1093.71   81.733    91.277  3.3721  89.773  3.3991  1.503601       4.787947 
1 1 1 -2  20  16 o 33.353  2.0243  151.556   17.906    155.156   25.546    148.080   25.106    33.747  2.8529  32.959  2.8726  0.7879181      4.048577 
1 1 1 -2  20  17 o 34.524  2.0700  162.680   18.961    161.918   26.839    163.440   26.791    34.441  2.9375  34.608  2.9174  -0.1670456     4.140030 
1 1 1 -2  20  18 f 78.924  2.2735  848.126   48.056    836.521   68.114    859.629   67.810    78.374  3.2447  79.473  3.1856  -1.098961      4.547074 
1 1 1 -2  20  19 o 38.825  2.1376  206.599   21.948    231.649   31.406    182.685   30.685    41.184  2.8649  36.466  3.1732  4.717670       4.275128 
1 1 1 -2  20  20 o 12.601  2.7906  21.896    10.571    17.865    15.444    25.450    14.500    11.796  4.0494  13.406  3.8410  -1.609880      5.581268 
1 1 1 -2  20  21 o 20.673  2.6011  60.764    13.864    64.951    19.747    56.693    19.470    21.426  3.5663  19.921  3.7874  1.504108       5.202153 
1 1 1 -2  20  22 o 24.739  2.4088  86.230    15.429    97.990    22.085    75.017    21.565    26.492  3.1757  22.986  3.6227  3.505709       4.817534 
1 1 1 -2  20  23 o 34.645  2.2129  167.941   20.118    193.098   28.580    143.232   28.324    37.348  2.8792  31.941  3.3612  5.407225       4.425730 
1 1 1 -2  20  24 o 24.234  2.6073  84.825    16.050    106.390   23.081    64.631    22.335    27.485  3.1948  20.982  4.1212  6.502708       5.214515 
1 1 1 -2  20  25 o 23.881  2.4973  81.868    15.477    86.053    21.955    77.734    21.820    24.540  3.4342  23.222  3.6267  1.318138       4.994664 
1 1 1 -2  20  26 o 17.663  3.0220  46.794    14.232    55.210    20.406    38.822    19.860    19.279  4.0790  16.046  4.4602  3.233589       6.044082 
1 1 1 -2  20  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  20  28 o 10.821  2.9096  11.912    11.962    21.500    17.847    4.0913    16.119    12.424  4.3480  9.2179  3.8677  3.205762       5.819280 
1 1 1 -2  20  29 o 7.0683  2.3328  -12.9913  10.875    -7.2864   16.051    -17.8325  14.786    7.7340  3.5217  6.4026  3.0603  1.331412       4.665613 
1 1 1 -2  21  1  o 122.304 2.7278  2011.02   89.355    2020.81   125.849   2001.06   126.892   122.607 3.8322  122.000 3.8832  0.6067734      5.455676 
1 1 1 -2  21  2  o 83.962  2.2064  946.734   49.617    953.056   69.934    940.326   70.406    84.246  3.0992  83.678  3.1413  0.5676041      4.412828 
1 1 1 -2  21  3  o 24.826  2.1323  83.973    13.887    85.280    19.767    82.699    19.514    25.021  3.0100  24.632  3.0211  0.3888493      4.264639 
1 1 1 -2  21  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  21  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  21  6  o 133.576 2.9658  2408.05   106.110   2396.35   150.140   2419.73   149.986   133.248 4.2067  133.903 4.1819  -0.6544342     5.931680 
1 1 1 -2  21  7  o 17.454  2.4281  42.492    10.942    38.011    15.384    47.080    15.566    16.478  3.5873  18.429  3.2734  -1.950403      4.856282 
1 1 1 -2  21  8  o 73.036  2.1357  718.337   41.772    704.398   59.255    732.108   58.895    72.327  3.0587  73.746  2.9816  -1.418831      4.271496 
1 1 1 -2  21  9  o 36.715  1.9418  182.490   18.952    180.158   26.984    184.761   26.625    36.477  2.7828  36.953  2.7089  -0.4762917     3.883531 
1 1 1 -2  21  10 o 104.325 2.5390  1472.26   70.943    1495.52   100.721   1449.34   99.942    105.147 3.5763  103.503 3.6050  1.644447       5.077991 
1 1 1 -2  21  11 o 73.036  2.1751  720.548   42.496    769.268   60.552    673.261   59.655    75.485  2.9949  70.586  3.1553  4.898445       4.350295 
1 1 1 -2  21  12 o 23.558  2.2801  76.956    13.738    94.491    19.697    60.349    19.169    26.305  2.8408  20.811  3.5673  5.493635       4.560234 
1 1 1 -2  21  13 o 54.387  2.0384  400.836   29.576    416.307   42.203    385.904   41.461    55.427  2.8524  53.346  2.9127  2.081215       4.076765 
1 1 1 -2  21  14 o 31.588  2.0937  136.137   17.391    156.330   25.106    117.513   24.112    33.891  2.7906  29.285  3.1221  4.605436       4.187444 
1 1 1 -2  21  15 o 52.567  2.0711  375.431   29.041    382.815   41.519    368.359   40.635    53.074  2.9320  52.061  2.9259  1.013203       4.142202 
1 1 1 -2  21  16 o 44.427  2.0454  268.809   24.205    269.278   34.440    268.350   34.026    44.461  2.9080  44.392  2.8771  0.6908417E-01  4.090755 
1 1 1 -2  21  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  21  18 o 35.814  2.1030  176.068   19.921    194.040   28.445    158.767   27.909    37.658  2.8410  33.971  3.1014  3.686890       4.205937 
1 1 1 -2  21  19 o 14.602  2.7682  30.699    11.154    25.268    16.057    35.762    15.505    13.420  4.0941  15.784  3.7271  -2.364639      5.536485 
1 1 1 -2  21  20 o 33.346  2.2296  154.112   19.650    164.087   28.052    144.501   27.535    34.442  3.0731  32.250  3.2311  2.191681       4.459145 
1 1 1 -2  21  21 o 54.668  2.1671  413.113   31.569    438.841   45.017    388.217   44.283    56.388  2.9913  52.948  3.1365  3.439339       4.334187 
1 1 1 -2  21  22 o 18.718  2.8399  51.253    13.810    53.853    19.834    48.806    19.242    19.198  3.9875  18.239  4.0447  0.9590588      5.679783 
1 1 1 -2  21  23 o 18.589  2.8900  51.022    14.013    56.643    20.043    45.646    19.601    19.660  3.9434  17.518  4.2260  2.141310       5.780080 
1 1 1 -2  21  24 o 19.721  2.8711  57.865    14.696    42.997    20.557    73.406    21.018    16.891  4.4730  22.552  3.6006  -5.661449      5.742159 
1 1 1 -2  21  25 o 23.673  2.6665  81.406    16.274    91.862    23.472    71.725    22.585    25.257  3.5689  22.089  3.9628  3.167877       5.333025 
1 1 1 -2  21  26 o 42.378  2.3207  255.726   25.919    220.684   36.533    291.241   36.779    39.259  3.5112  45.497  3.0355  -6.237587      4.641408 
1 1 1 -2  21  27 o 11.509  3.0430  14.380    13.172    26.391    19.371    4.0482    17.965    13.421  4.5357  9.5974  4.0580  3.823253       6.086003 
1 1 1 -2  21  28 f 10.822  2.9731  13.264    12.370    16.610    18.066    10.310    16.974    11.419  4.3157  10.224  4.0905  1.195513       5.946228 
1 1 1 -2  22  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  22  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  22  3  o 10.676  2.4958  8.1739    10.061    28.352    14.751    -9.3771   13.757    14.257  3.7954  7.0941  3.2419  7.163241       4.991543 
1 1 1 -2  22  4  o 132.525 2.9066  2371.38   103.171   2346.63   145.629   2396.31   146.184   131.828 4.1243  133.223 4.0967  -1.395599      5.813151 
1 1 1 -2  22  5  o 96.960  2.3996  1267.00   62.317    1252.37   88.009    1281.72   88.251    96.396  3.4086  97.524  3.3785  -1.128357      4.799245 
1 1 1 -2  22  6  o 16.758  2.4945  39.599    10.888    50.283    15.491    29.170    15.305    19.072  3.1419  14.445  3.8754  4.626960       4.989042 
1 1 1 -2  22  7  o 101.225 2.5096  1384.72   68.037    1366.47   96.314    1402.90   96.125    100.553 3.5761  101.898 3.5219  -1.345428      5.019195 
1 1 1 -2  22  8  o 50.009  1.9734  338.236   26.312    325.705   37.272    350.686   37.151    49.072  2.8479  50.945  2.7325  -1.872524      3.946810 
1 1 1 -2  22  9  o 99.796  2.4872  1349.63   66.441    1297.47   94.069    1401.55   93.855    97.848  3.5893  101.744 3.4440  -3.896370      4.974330 
1 1 1 -2  22  10 o 13.469  2.6951  25.210    10.214    28.986    14.600    21.590    14.295    14.347  3.7554  12.592  3.8667  1.754550       5.390199 
1 1 1 -2  22  11 o 42.120  2.0095  240.916   22.479    263.055   32.100    219.609   31.491    44.049  2.7342  40.191  2.9457  3.857826       4.019076 
1 1 1 -2  22  12 o 42.544  2.0233  246.225   22.889    233.534   32.554    258.633   32.188    41.434  2.9526  43.654  2.7671  -2.219646      4.046619 
1 1 1 -2  22  13 o 69.592  2.1786  656.859   40.602    674.401   57.761    639.726   57.084    70.517  3.0581  68.667  3.1037  1.849716       4.357154 
1 1 1 -2  22  14 o 38.622  2.0746  203.712   21.271    194.782   30.337    212.347   29.833    37.762  3.0248  39.482  2.8401  -1.720409      4.149158 
1 1 1 -2  22  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  22  16 o 26.181  2.2284  94.766    15.306    98.404    21.920    91.304    21.382    26.685  3.1260  25.678  3.1765  1.006447       4.456717 
1 1 1 -2  22  17 o 32.907  2.1503  149.544   18.663    136.266   26.491    162.628   26.297    31.394  3.1948  34.419  2.8788  -3.024958      4.300550 
1 1 1 -2  22  18 o 11.185  2.7565  12.250    11.192    27.357    16.345    -1.0869   15.358    13.868  4.1083  8.5007  3.6761  5.367696       5.512914 
1 1 1 -2  22  19 o 12.098  2.7835  19.400    10.797    10.738    15.495    27.576    15.054    10.355  3.9767  13.841  3.8958  -3.486599      5.566968 
1 1 1 -2  22  20 o 20.831  2.6752  62.600    14.365    58.715    20.340    66.466    20.292    20.123  3.9146  21.540  3.6472  -1.417578      5.350379 
1 1 1 -2  22  21 o 23.162  2.5844  77.035    15.449    85.521    22.121    68.956    21.586    24.506  3.4669  21.817  3.8337  2.689127       5.168799 
1 1 1 -2  22  22 o 27.004  2.5323  105.074   17.541    125.459   24.902    84.998    24.712    29.845  3.1634  24.163  3.9551  5.681326       5.064578 
1 1 1 -2  22  23 o 9.9652  2.8447  7.8492    11.720    6.8675    17.065    8.7255    16.123    9.9166  4.0525  10.014  3.9933  -0.9723949E-01 5.689393 
1 1 1 -2  22  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  22  25 o 20.297  2.8870  63.244    15.477    30.564    21.479    98.535    22.321    14.355  4.7758  26.239  3.2451  -11.88439      5.773975 
1 1 1 -2  22  26 o 22.942  2.9253  81.428    16.984    56.281    24.240    105.676   23.803    18.876  4.7873  27.008  3.3633  -8.131903      5.850690 
1 1 1 -2  23  1  o 142.869 3.0422  2758.83   116.406   2709.53   163.954   2808.94   165.302   141.576 4.3236  144.163 4.2809  -2.586899      6.084359 
1 1 1 -2  23  2  o 136.278 2.9582  2511.43   107.976   2525.85   152.265   2496.84   153.141   136.679 4.1592  135.876 4.2078  0.8023834      5.916478 
1 1 1 -2  23  3  o 29.399  2.0168  117.444   15.677    114.426   22.213    120.438   22.128    29.013  2.8971  29.786  2.8067  -0.7728367     4.033681 
1 1 1 -2  23  4  o 83.036  2.2391  929.866   49.797    938.642   70.340    921.047   70.508    83.433  3.1476  82.640  3.1854  0.7924576      4.478173 
1 1 1 -2  23  5  o 70.046  2.1227  661.696   39.825    658.043   56.214    665.376   56.427    69.852  3.0046  70.241  2.9992  -0.3889847     4.245338 
1 1 1 -2  23  6  o 53.585  2.0015  388.286   28.625    389.229   40.434    387.339   40.531    53.651  2.8236  53.518  2.8376  0.1332169      4.003098 
1 1 1 -2  23  7  o 33.901  1.9619  156.140   17.648    150.388   24.975    161.876   24.941    33.264  2.8301  34.538  2.7180  -1.274666      3.923881 
1 1 1 -2  23  8  o 64.278  2.0929  558.600   36.013    582.360   51.108    535.168   50.754    65.646  2.9066  62.909  3.0121  2.736877       4.185798 
1 1 1 -2  23  9  o 63.937  2.1147  553.164   36.207    567.510   51.390    539.022   51.022    64.766  2.9624  63.107  3.0185  1.658714       4.229302 
1 1 1 -2  23  10 o 61.884  2.0854  518.503   34.565    516.760   49.039    520.225   48.727    61.778  2.9636  61.991  2.9346  -0.2133675     4.170734 
1 1 1 -2  23  11 o 43.838  2.0581  261.517   24.023    256.621   34.109    266.337   33.841    43.420  2.9504  44.257  2.8703  -0.8369370     4.116209 
1 1 1 -2  23  12 o 59.783  2.1312  486.122   33.948    535.271   48.465    438.778   47.567    62.829  2.8799  56.736  3.1424  6.093639       4.262449 
1 1 1 -2  23  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  23  14 o 55.826  2.1298  426.530   31.617    381.755   44.798    470.965   44.628    52.796  3.1828  58.856  2.8309  -6.060616      4.259594 
1 1 1 -2  23  15 o 28.278  2.2913  110.791   17.037    113.847   24.384    107.877   23.813    28.666  3.2322  27.891  3.2484  0.7754135      4.582532 
1 1 1 -2  23  16 o 21.093  2.6571  64.280    14.217    44.116    19.900    85.301    20.318    17.427  4.2916  24.758  3.1341  -7.331142      5.314228 
1 1 1 -2  23  17 o 34.906  2.2424  169.006   20.715    178.825   29.559    159.529   29.038    35.936  3.1013  33.876  3.2397  2.059464       4.484861 
1 1 1 -2  23  18 o 30.580  2.2499  130.518   18.154    134.702   25.915    126.485   25.438    31.075  3.1573  30.085  3.2062  0.9901695      4.499800 
1 1 1 -2  23  19 o 27.150  2.4515  104.737   17.218    122.285   24.633    87.972    24.076    29.532  3.1633  24.768  3.7462  4.764235       4.903067 
1 1 1 -2  23  20 o 8.2405  2.2810  -6.4428   9.5380    -31.5138  13.672    17.327    13.313    5.2089  2.5832  11.272  3.7603  -6.063134      4.562085 
1 1 1 -2  23  21 o 44.879  2.2137  282.420   26.431    274.560   37.498    290.180   37.261    44.219  3.1874  45.538  3.0728  -1.319241      4.427372 
1 1 1 -2  23  22 o 41.629  2.2906  245.161   25.210    220.973   35.852    268.819   35.456    39.457  3.4263  43.800  3.0411  -4.342617      4.581264 
1 1 1 -2  23  23 o 8.8504  2.6527  -0.8763   11.278    10.623    16.948    -10.0161  15.110    10.438  4.1157  7.2624  3.3478  3.176001       5.305362 
1 1 1 -2  23  24 o 23.642  2.7989  83.650    16.946    71.626    24.308    95.018    23.635    21.723  4.3298  25.560  3.5480  -3.837379      5.597757 
1 1 1 -2  23  25 o 15.419  3.2279  36.720    14.806    49.514    21.175    24.482    20.710    17.783  4.4549  13.055  4.6725  4.728042       6.455897 
1 1 1 -2  24  1  o 47.390  1.9326  303.360   24.425    302.212   34.305    304.540   34.785    47.301  2.7191  47.479  2.7470  -0.1784210     3.865149 
1 1 1 -2  24  2  o 24.814  2.0544  84.072    13.390    85.825    19.286    82.441    18.605    25.063  2.9281  24.565  2.8824  0.4979191      4.108768 
1 1 1 -2  24  3  o 60.960  2.0030  501.072   32.698    485.717   45.938    516.841   46.552    60.010  2.8580  61.911  2.8073  -1.900501      4.006092 
1 1 1 -2  24  4  o 103.077 2.5063  1439.97   69.193    1420.34   97.591    1459.82   98.119    102.366 3.5593  103.789 3.5295  -1.423271      5.012597 
1 1 1 -2  24  5  o 66.189  2.0835  592.034   36.938    592.658   52.122    591.404   52.354    66.225  2.9384  66.152  2.9547  0.7338715E-01  4.167068 
1 1 1 -2  24  6  o 33.856  1.9525  155.836   17.550    156.007   24.675    155.661   24.968    33.878  2.7427  33.834  2.7797  0.4443359E-01  3.905040 
1 1 1 -2  24  7  o 33.354  2.0400  151.574   18.045    152.550   25.636    150.615   25.404    33.461  2.8888  33.247  2.8811  0.2130966      4.079933 
1 1 1 -2  24  8  o 123.121 2.8506  2072.96   94.004    2084.34   133.125   2061.65   132.760   123.461 4.0257  122.780 4.0369  0.6810913      5.701122 
1 1 1 -2  24  9  o 57.255  2.0825  445.514   31.828    442.573   45.076    448.438   44.948    57.062  2.9594  57.448  2.9308  -0.3856621     4.165070 
1 1 1 -2  24  10 o 43.265  2.0627  255.576   23.677    231.496   33.448    279.763   33.521    41.173  3.0547  45.356  2.7726  -4.182854      4.125332 
1 1 1 -2  24  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  24  12 o 32.442  2.1627  144.658   18.568    144.497   26.438    144.816   26.085    32.417  3.0819  32.466  3.0349  -0.4873657E-01 4.325328 
1 1 1 -2  24  13 o 62.012  2.1746  525.943   36.028    553.217   51.415    499.632   50.501    63.653  3.0157  60.370  3.1339  3.282917       4.349193 
1 1 1 -2  24  14 o 49.500  2.1390  336.726   28.212    327.673   40.045    345.648   39.754    48.815  3.0784  50.186  2.9706  -1.370068      4.278004 
1 1 1 -2  24  15 o 35.156  2.2005  171.209   20.496    165.898   29.044    176.478   28.928    34.587  3.1704  35.725  3.0525  -1.137531      4.400987 
1 1 1 -2  24  16 o 49.892  2.1870  344.457   29.063    361.120   41.437    328.325   40.773    51.110  3.0406  48.674  3.1442  2.436409       4.373931 
1 1 1 -2  24  17 o 9.3831  2.5953  5.7647    10.076    15.358    14.249    -3.8295   14.250    10.992  3.8820  7.7738  3.4457  3.218467       5.190645 
1 1 1 -2  24  18 o 26.222  2.5055  98.065    17.146    99.814    24.331    96.340    24.165    26.468  3.5192  25.976  3.5674  0.4920292      5.011099 
1 1 1 -2  24  19 o 25.073  2.5925  90.505    16.870    96.157    23.959    84.948    23.756    25.917  3.5444  24.228  3.7845  1.689030       5.185074 
1 1 1 -2  24  20 o 31.180  2.4111  138.380   19.776    130.753   27.984    145.989   27.952    30.255  3.5189  32.106  3.2972  -1.850475      4.822271 
1 1 1 -2  24  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  24  22 o 49.797  2.3420  353.096   30.972    326.838   43.950    379.001   43.654    47.822  3.4544  51.771  3.1633  -3.949001      4.683926 
1 1 1 -2  24  23 o 22.465  3.0287  76.927    17.507    91.577    25.119    63.089    24.413    24.813  3.9089  20.116  4.6274  4.697210       6.057386 
1 1 1 -2  25  1  o 61.116  2.0123  504.472   32.925    520.359   46.425    488.394   46.703    62.094  2.7913  60.139  2.8994  1.955608       4.024635 
1 1 1 -2  25  2  f 42.304  1.9307  242.481   21.723    224.542   30.375    261.262   31.079    40.682  2.8047  43.925  2.6541  -3.242786      3.861400 
1 1 1 -2  25  3  o 23.195  2.1815  74.057    13.215    75.380    18.817    72.768    18.564    23.404  3.0762  22.985  3.0940  0.4192753      4.363021 
1 1 1 -2  25  4  o 35.261  1.9780  169.344   18.495    179.303   26.050    159.222   26.263    36.333  2.6960  34.188  2.8952  2.144550       3.956058 
1 1 1 -2  25  5  o 63.052  2.0850  538.407   35.208    527.381   49.754    549.466   49.829    62.399  2.9769  63.706  2.9202  -1.306622      4.170055 
1 1 1 -2  25  6  o 84.026  2.2910  959.174   51.556    940.901   72.809    977.551   73.014    83.214  3.2666  84.839  3.2131  -1.625031      4.582016 
1 1 1 -2  25  7  o 76.071  2.2228  786.286   45.289    775.582   63.980    797.035   64.116    75.546  3.1619  76.597  3.1251  -1.050552      4.445673 
1 1 1 -2  25  8  o 49.659  2.0495  335.828   27.135    344.690   38.426    327.015   38.323    50.325  2.8625  48.994  2.9338  1.331108       4.098907 
1 1 1 -2  25  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  25  10 o 48.110  2.0734  316.340   26.584    324.284   37.588    308.389   37.603    48.729  2.8928  47.491  2.9711  1.238586       4.146782 
1 1 1 -2  25  11 o 67.683  2.2191  626.714   40.224    639.769   56.998    613.762   56.774    68.397  3.1112  66.968  3.1651  1.428833       4.438238 
1 1 1 -2  25  12 o 46.505  2.1204  297.326   26.239    280.795   37.046    313.968   37.170    45.170  3.0804  47.840  2.9147  -2.670372      4.240779 
1 1 1 -2  25  13 o 34.456  2.2384  165.111   20.232    191.034   28.879    140.125   28.353    37.227  2.9197  31.684  3.3937  5.542677       4.476809 
1 1 1 -2  25  14 o 71.820  2.3080  713.584   44.388    734.175   63.110    693.425   62.444    72.867  3.2336  70.774  3.2941  2.093140       4.615915 
1 1 1 -2  25  15 o 46.666  2.2578  304.115   27.851    345.759   39.627    263.465   39.151    49.962  2.9746  43.369  3.3975  6.593082       4.515658 
1 1 1 -2  25  16 o 30.924  2.3352  134.768   19.040    134.727   27.154    134.809   26.704    30.905  3.3330  30.943  3.2717  -0.3748131E-01 4.670450 
1 1 1 -2  25  17 o 38.693  2.2445  210.327   23.027    201.883   32.860    218.474   32.277    37.870  3.2716  39.516  3.0738  -1.645527      4.489052 
1 1 1 -2  25  18 o 35.290  2.3882  176.773   22.150    199.266   31.565    154.953   31.090    37.641  3.1601  32.939  3.5815  4.702328       4.776351 
1 1 1 -2  25  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  25  20 o 12.893  3.2197  22.829    13.866    24.670    19.958    21.111    19.279    13.240  4.5999  12.545  4.5063  0.6958179      6.439392 
1 1 1 -2  25  21 o 16.551  3.0287  41.732    14.813    18.645    20.933    64.889    20.964    12.233  4.6401  20.869  3.8937  -8.635922      6.057363 
1 1 1 -2  25  22 o 25.801  2.8001  100.054   18.688    106.049   26.245    93.888    26.617    26.723  3.7716  24.879  4.1396  1.843220       5.600175 
1 1 1 -2  26  1  o 32.381  1.9879  142.843   17.070    141.461   24.034    144.250   24.249    32.222  2.8130  32.541  2.8097  -0.3192215     3.975857 
1 1 1 -2  26  2  o 62.140  2.0390  522.580   33.914    496.506   47.491    549.714   48.446    60.548  2.9283  63.731  2.8380  -3.183327      4.077923 
1 1 1 -2  26  3  o 18.658  2.4958  49.500    11.932    63.370    16.976    35.955    16.776    21.410  3.0462  15.906  3.9544  5.503331       4.991677 
1 1 1 -2  26  4  f 31.551  2.0510  136.088   17.133    134.518   24.442    137.604   24.022    31.361  2.9443  31.741  2.8561  -0.3799305     4.101953 
1 1 1 -2  26  5  o 37.236  2.0508  189.735   20.180    212.470   28.649    167.348   28.429    39.510  2.7238  34.963  3.0667  4.546898       4.101697 
1 1 1 -2  26  6  o 50.958  2.0924  354.792   28.373    333.719   40.528    375.048   39.735    49.430  3.0764  52.487  2.8369  -3.056557      4.184742 
1 1 1 -2  26  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  26  8  o 55.650  2.0986  423.485   31.154    437.473   44.080    409.525   44.037    56.590  2.9181  54.711  3.0167  1.879295       4.197113 
1 1 1 -2  26  9  o 8.5519  2.5235  2.4145    9.6287    3.6704    13.828    1.2323    13.416    8.8020  3.6283  8.3017  3.5082  0.5003233      5.046972 
1 1 1 -2  26  10 o 24.548  2.5106  86.394    15.482    110.911   21.929    62.029    21.861    28.330  2.9324  20.766  4.0758  7.563751       5.021102 
1 1 1 -2  26  11 o 25.033  2.4230  88.066    15.807    83.713    22.070    92.651    22.651    24.370  3.4799  25.696  3.3725  -1.326305      4.845911 
1 1 1 -2  26  12 o 15.787  2.9725  36.459    12.800    38.053    18.158    34.885    18.046    16.122  4.1727  15.451  4.2345  0.6705666      5.944967 
1 1 1 -2  26  13 o 36.692  2.2277  187.920   21.657    178.511   30.615    197.345   30.641    35.727  3.2343  37.657  3.0644  -1.929825      4.455452 
1 1 1 -2  26  14 o 10.819  2.6869  8.5389    11.510    29.266    16.558    -10.8416  16.011    14.147  4.1194  7.4918  3.4508  6.655400       5.373786 
1 1 1 -2  26  15 o 22.918  2.7675  76.698    16.295    87.541    23.156    66.062    22.935    24.694  3.6074  21.143  4.1978  3.550121       5.534919 
1 1 1 -2  26  16 o 46.704  2.2730  307.087   28.113    343.043   39.997    271.978   39.523    49.545  3.0285  43.864  3.3903  5.681110       4.545937 
1 1 1 -2  26  17 o 40.965  2.2833  236.898   24.815    228.137   35.509    245.261   34.694    40.154  3.3316  41.775  3.1232  -1.621437      4.566615 
1 1 1 -2  26  18 o 11.324  3.0463  14.813    12.773    14.399    17.652    15.267    18.504    11.188  4.2569  11.459  4.3589  -0.2715130     6.092656 
1 1 1 -2  26  19 o 21.352  2.9337  68.376    16.163    72.808    23.409    64.338    22.345    22.045  4.1158  20.658  4.1818  1.386702       5.867480 
1 1 1 -2  26  20 o 9.0195  2.6863  0.0549    11.704    12.740    16.972    -11.4476  16.162    10.675  4.1449  7.3636  3.4182  3.311690       5.372513 
1 1 1 -2  27  1  o 80.959  2.2386  890.973   48.533    865.277   68.044    917.585   69.245    79.764  3.1849  82.154  3.1468  -2.390472      4.477276 
1 1 1 -2  27  2  o 20.423  2.5445  59.169    13.311    68.181    18.571    49.648    19.089    22.158  3.2236  18.688  3.9378  3.470825       5.088982 
1 1 1 -2  27  3  o 57.599  2.0455  451.283   31.505    451.434   44.388    451.129   44.724    57.649  2.8746  57.549  2.9109  0.9976578E-01  4.091084 
1 1 1 -2  27  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  27  5  o 73.456  2.2203  737.242   43.629    691.136   61.387    784.300   62.018    71.096  3.2236  75.816  3.0540  -4.720230      4.440595 
1 1 1 -2  27  6  o 10.350  2.7384  10.782    10.411    5.6609    14.473    16.273    14.988    9.3012  3.7574  11.399  3.9848  -2.097712      5.476894 
1 1 1 -2  27  7  o 41.010  2.1199  231.581   23.060    212.523   32.548    250.790   32.677    39.261  3.1209  42.759  2.8698  -3.498550      4.239729 
1 1 1 -2  27  8  o 56.115  2.1464  433.264   32.137    438.325   45.337    428.152   45.562    56.458  3.0089  55.772  3.0617  0.6864624      4.292732 
1 1 1 -2  27  9  o 35.710  2.1682  176.837   20.490    190.193   29.059    163.630   28.896    37.105  2.9481  34.314  3.1801  2.791500       4.336387 
1 1 1 -2  27  10 o 11.243  2.8443  14.967    11.218    21.984    15.613    7.4797    16.128    12.580  4.0655  9.9065  3.9788  2.673085       5.688549 
1 1 1 -2  27  11 o 34.850  2.2190  169.656   20.488    171.719   28.856    167.558   29.094    35.081  3.1029  34.619  3.1729  0.4620247      4.437966 
1 1 1 -2  27  12 o 17.100  2.8914  42.902    13.346    29.446    18.355    57.997    19.440    14.220  4.3840  19.979  3.7710  -5.759013      5.782711 
1 1 1 -2  27  13 o 24.235  2.5969  85.254    16.077    68.901    22.697    101.721   22.776    21.658  4.0617  26.811  3.2370  -5.153017      5.193825 
1 1 1 -2  27  14 o 8.0592  2.4149  -7.7824   10.140    12.173    15.270    -23.5232  13.562    10.458  3.9640  5.6606  2.7594  4.797141       4.829846 
1 1 1 -2  27  15 f 19.641  2.9442  57.914    15.247    82.057    22.030    35.715    21.124    23.861  3.5555  15.421  4.6939  8.439814       5.888471 
1 1 1 -2  27  16 o 63.913  3.4128  579.543   58.212    579.543   58.212    0.0000    0.0000    63.913  3.4128  ?       ?       ?              ?        
1 1 1 -2  27  17 o 24.519  2.8279  88.970    17.922    86.039    24.858    92.142    25.864    24.096  3.9913  24.942  4.0071  -0.8469143     5.655710 
1 1 1 -2  27  18 f 21.492  3.0393  70.769    16.900    48.847    23.290    95.147    24.560    17.577  4.8080  25.407  3.7191  -7.829796      6.078526 
1 1 1 -2  28  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  28  2  f 22.231  2.4879  69.439    14.239    59.737    19.823    79.780    20.465    20.529  3.7431  23.934  3.2785  -3.405846      4.975876 
1 1 1 -2  28  3  o 54.753  2.0757  410.360   30.324    411.498   42.523    409.184   43.255    54.843  2.9052  54.664  2.9654  0.1790581      4.151306 
1 1 1 -2  28  4  o 31.838  2.1892  140.133   18.363    125.930   25.660    155.040   26.288    30.127  3.2303  33.550  2.9556  -3.422884      4.378398 
1 1 1 -2  28  5  o 39.871  2.0868  218.912   22.124    221.430   31.141    216.345   31.437    40.116  2.9181  39.627  2.9838  0.4895325      4.173559 
1 1 1 -2  28  6  o 24.748  2.4580  86.455    15.788    94.103    22.371    78.865    22.285    25.919  3.2970  23.578  3.6465  2.341215       4.916022 
1 1 1 -2  28  7  o 25.239  2.6954  93.995    16.420    141.501   23.757    50.551    22.719    32.001  2.7999  18.477  4.6067  13.52402       5.390800 
1 1 1 -2  28  8  o 43.756  2.1662  265.867   25.221    273.436   35.752    258.369   35.584    44.398  3.0244  43.113  3.1022  1.284512       4.332500 
1 1 1 -2  28  9  o 42.840  2.1558  255.504   24.570    248.527   34.627    262.578   34.867    42.230  3.0826  43.450  3.0147  -1.219337      4.311673 
1 1 1 -2  28  10 o 26.069  2.4668  96.896    16.792    97.117    23.685    96.672    23.810    26.106  3.4734  26.032  3.5037  0.7403183E-01  4.933609 
1 1 1 -2  28  11 o 34.690  2.2570  169.375   20.735    169.501   29.184    169.248   29.467    34.712  3.1739  34.668  3.2097  0.4455948E-01  4.514017 
1 1 1 -2  28  12 o 10.622  2.9324  11.300    12.081    12.869    17.073    9.7268    17.097    10.880  4.1752  10.365  4.1188  0.5151272      5.864895 
1 1 1 -2  28  13 o 24.055  2.7847  84.997    17.157    100.210   24.470    70.286    24.064    26.406  3.5497  21.704  4.2915  4.702169       5.569315 
1 1 1 -2  28  14 o 21.897  5.1994  75.102    30.041    75.102    30.041    0.0000    0.0000    21.897  5.1994  ?       ?       ?              ?        
1 1 1 -2  28  15 o 39.065  2.4113  218.411   24.836    191.944   34.610    246.509   35.661    36.477  3.5888  41.652  3.2215  -5.175663      4.822610 
1 1 1 -2  28  16 o 25.964  2.6437  99.344    17.844    95.650    25.209    103.054   25.261    25.422  3.8202  26.505  3.6555  -1.082363      5.287377 
1 1 1 -2  28  17 o 23.552  2.9569  85.318    17.890    91.641    24.699    78.339    25.948    24.707  3.8584  22.398  4.4818  2.309235       5.913829 
1 1 1 -2  29  1  o 28.101  2.2626  110.302   16.595    122.890   23.317    97.380    23.624    29.827  2.9576  26.376  3.4248  3.450754       4.525141 
1 1 1 -2  29  2  o 18.820  2.7244  50.858    13.299    37.211    18.279    66.203    19.383    15.998  4.2090  21.642  3.4605  -5.643226      5.448879 
1 1 1 -2  29  3  o 10.656  2.8457  11.726    11.232    7.3054    15.728    16.326    16.044    9.8165  3.9340  11.496  4.1129  -1.679893      5.691403 
1 1 1 -2  29  4  o 30.718  2.2536  131.427   18.234    121.082   25.261    142.680   26.348    29.418  3.2608  32.018  3.1115  -2.600473      4.507144 
1 1 1 -2  29  5  o 36.340  2.1536  183.607   20.768    183.811   29.247    183.401   29.495    36.367  3.0301  36.313  3.0610  0.5453491E-01  4.307118 
1 1 1 -2  29  6  o 22.264  2.5978  71.850    14.700    54.537    20.579    89.887    21.004    19.264  4.1135  25.265  3.1739  -6.001337      5.195621 
1 1 1 -2  29  7  o 19.708  2.8206  56.988    14.378    53.014    20.229    61.046    20.439    18.953  4.1037  20.464  3.8708  -1.511415      5.641238 
1 1 1 -2  29  8  o 40.486  2.2555  230.644   24.074    263.491   34.330    198.860   33.770    43.469  2.9662  37.503  3.3987  5.966473       4.511075 
1 1 1 -2  29  9  o 16.972  3.0158  42.957    13.701    38.552    18.806    47.941    20.002    16.041  4.2925  17.902  4.2373  -1.860432      6.031603 
1 1 1 -2  29  10 o 36.765  2.3356  191.257   22.739    182.911   31.958    199.815   32.361    35.912  3.3615  37.617  3.2435  -1.705093      4.671161 
1 1 1 -2  29  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  29  12 o 28.075  2.5966  114.132   19.053    111.174   26.670    117.215   27.228    27.690  3.6876  28.460  3.6565  -0.7695484     5.193141 
1 1 1 -2  29  13 o 7.3370  2.3639  -10.3107  10.378    -18.3717  13.825    0.0950    15.708    6.0987  2.9268  8.5753  3.7131  -2.476624      4.727882 
1 1 1 -2  29  14 o 27.858  2.6732  114.321   19.313    100.456   26.841    129.206   27.811    25.944  3.9904  29.771  3.5582  -3.827021      5.346365 
1 1 1 -2  29  15 o 18.519  3.1077  54.705    15.783    75.264    22.227    33.798    22.414    22.353  3.8514  14.685  4.8783  7.668842       6.215379 
1 1 1 -2  30  1  o 26.968  2.2991  102.038   16.267    99.492    22.710    104.721   23.312    26.618  3.2530  27.319  3.2497  -0.7004929     4.598114 
1 1 1 -2  30  2  o 9.8567  2.7446  8.6744    10.633    8.4479    14.642    8.9269    15.465    9.7286  3.8288  9.9848  3.9333  -0.2562065     5.489145 
1 1 1 -2  30  3  o 38.199  2.1680  203.409   21.980    193.623   30.745    213.638   31.434    37.232  3.1115  39.166  3.0198  -1.933922      4.335961 
1 1 1 -2  30  4  o 39.669  2.1882  220.422   23.012    232.880   32.243    207.487   32.854    40.888  2.9642  38.450  3.2197  2.438129       4.376425 
1 1 1 -2  30  5  o 17.176  2.8610  43.767    13.294    28.509    18.491    60.089    19.125    13.994  4.4141  20.358  3.6410  -6.363814      5.721969 
1 1 1 -2  30  6  o 49.735  2.1871  346.399   28.935    320.222   40.549    373.558   41.302    47.747  3.1890  51.724  2.9940  -3.977852      4.374195 
1 1 1 -2  30  7  o 11.051  2.9019  14.392    11.459    11.475    15.626    17.786    16.855    10.378  3.9916  11.723  4.2133  -1.345068      5.803818 
1 1 1 -2  30  8  o 10.881  2.9527  12.593    12.204    17.187    17.311    8.0540    17.207    11.657  4.2581  10.104  4.0917  1.552871       5.905350 
1 1 1 -2  30  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  30  10 o 39.794  2.4118  226.659   25.224    261.762   36.070    193.062   35.288    43.013  3.1528  36.576  3.6507  6.437061       4.823681 
1 1 1 -2  30  11 o 10.641  2.9991  10.730    12.928    7.2443    18.367    14.153    18.200    10.127  4.1789  11.154  4.3029  -1.026476      5.998178 
1 1 1 -2  30  12 o 28.086  2.6814  116.565   19.643    111.349   27.442    122.046   28.130    27.398  3.8453  28.774  3.7381  -1.376223      5.362782 
1 1 1 -2  31  1  o 49.306  2.1165  338.883   27.815    335.290   38.928    342.630   39.757    49.049  2.9772  49.564  3.0090  -0.5150871     4.232909 
1 1 1 -2  31  2  o 24.240  2.5653  84.657    16.139    82.578    22.491    86.863    23.172    23.931  3.6221  24.549  3.6337  -0.6180573     5.130686 
1 1 1 -2  31  3  o 11.479  2.8371  12.574    11.939    -2.2198   15.931    31.525    18.031    8.3923  3.6846  14.565  4.3151  -6.173046      5.674125 
1 1 1 -2  31  4  o 18.448  2.9481  50.322    14.326    38.104    19.415    64.923    21.225    15.893  4.4070  21.003  3.9169  -5.109640      5.896132 
1 1 1 -2  31  5  o 13.243  3.0853  24.283    12.859    17.249    17.331    32.897    19.179    11.663  4.2605  14.823  4.4637  -3.160498      6.170630 
1 1 1 -2  31  6  o 27.743  3.6391  111.204   26.389    0.0000    0.0000    111.204   26.389    ?       ?       27.743  3.6391  ?              ?        
1 1 1 -2  31  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  31  8  o 14.739  3.2379  32.977    14.129    33.658    19.666    32.250    20.312    14.874  4.5293  14.605  4.6284  0.2693176      6.475855 
1 1 1 -2  31  9  o 16.998  3.1614  45.103    14.785    53.513    20.604    36.174    21.229    18.714  4.2123  15.282  4.7153  3.431568       6.322750 
1 1 1 -2  31  10 o 25.176  2.8778  95.769    18.735    92.443    26.460    99.113    26.532    24.674  4.1510  25.678  3.9869  -1.003548      5.755580 
1 1 1 -2  32  1  o 23.332  2.8399  80.005    16.876    59.758    23.038    103.451   24.791    19.863  4.4415  26.801  3.5401  -6.937813      5.679735 
1 1 1 -2  32  2  o 12.117  2.6528  17.839    11.778    37.777    15.827    -6.9074   17.633    15.954  3.7645  8.2801  3.7387  7.674316       5.305572 
1 1 1 -2  32  3  o 16.996  3.1639  44.156    14.610    46.241    20.234    41.885    21.118    17.451  4.3456  16.541  4.5997  0.9093952      6.327772 
1 1 1 -2  32  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  32  5  o 18.263  3.1229  51.871    15.268    61.298    20.973    41.243    22.270    20.230  4.0122  16.296  4.7866  3.933990       6.245739 
1 1 1 -2  32  6  f 16.582  3.2597  43.044    15.024    45.760    20.347    39.788    22.279    17.208  4.3980  15.955  4.8124  1.253070       6.519337 
1 1 1 -2  32  7  o 10.746  2.8180  8.9635    12.153    -7.2580   16.513    28.135    17.952    7.8650  3.5778  13.627  4.3548  -5.761598      5.635984 
1 1 1 -2  32  8  o 18.161  3.2031  52.375    15.532    51.586    22.104    53.143    21.829    17.997  4.5753  18.325  4.4841  -0.3272610     6.406259 
1 1 1 -2  33  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -2  33  2  o 10.323  2.8478  9.2986    12.197    19.607    16.326    -3.7226   18.349    11.901  4.1589  8.7452  3.8914  3.156292       5.695553 
1 1 1 -2  33  3  o 15.767  3.2225  38.434    14.322    35.903    19.281    41.550    21.394    15.245  4.4470  16.289  4.6650  -1.044558      6.445063 
1 1 1 -2  33  4  o 17.073  3.1550  45.681    14.638    40.911    20.619    50.528    20.784    16.127  4.5665  18.019  4.3546  -1.892698      6.309967 
1 1 1 -2  33  5  o 33.812  2.4080  167.104   21.481    168.809   29.772    165.252   31.026    34.075  3.3035  33.549  3.5043  0.5253105      4.815945 
1 1 1 -2  34  1  o 28.301  2.6087  119.365   19.130    130.527   26.556    107.325   27.580    29.917  3.3729  26.685  3.9804  3.231930       5.217318 
1 1 1 -2  34  2  o 24.481  2.9282  93.420    18.214    108.964   25.109    76.156    26.461    27.116  3.5416  21.845  4.6642  5.270924       5.856433 
1 1 1 -1  -36 9  o 10.611  3.0720  10.509    14.132    1.2132    22.746    16.352    18.034    9.9803  4.3917  11.241  4.2966  -1.261129      6.143924 
1 1 1 -1  -36 10 o 17.800  3.4553  52.073    16.853    53.875    25.806    50.733    22.254    17.919  5.1208  17.680  4.6406  0.2388363      6.910686 
1 1 1 -1  -36 11 o 17.064  3.5067  48.719    17.075    42.256    26.619    53.239    22.258    15.938  5.3172  18.190  4.5732  -2.252127      7.013338 
1 1 1 -1  -36 12 o 19.807  3.2326  61.637    16.665    71.536    25.764    54.516    21.853    21.112  4.6791  18.502  4.4615  2.609745       6.465203 
1 1 1 -1  -36 13 o 29.610  2.7097  130.242   20.785    155.390   31.163    110.089   27.897    32.314  3.6653  26.907  3.9920  5.407578       5.419434 
1 1 1 -1  -36 14 o 14.689  3.4115  32.135    15.636    47.413    24.586    21.758    20.262    16.948  5.0427  12.431  4.5961  4.516718       6.822985 
1 1 1 -1  -36 15 o 7.8004  2.5859  -14.3850  12.587    -7.0758   21.898    -17.9915  15.382    9.0698  4.1236  6.5309  3.1216  2.538855       5.171857 
1 1 1 -1  -36 16 o 17.665  3.5262  49.942    17.829    69.136    26.888    34.879    23.819    20.556  4.9440  14.774  5.0294  5.781445       7.052495 
1 1 1 -1  -36 17 o 13.383  3.0832  16.904    15.202    54.954    23.932    -8.8347   19.683    18.349  4.8105  8.4163  3.8579  9.932797       6.166412 
1 1 1 -1  -36 18 o 14.340  3.5521  32.570    16.986    27.254    25.606    36.747    22.699    13.612  5.1396  15.067  4.9046  -1.454636      7.104246 
1 1 1 -1  -36 19 o 24.998  3.1629  98.832    20.347    94.177    29.469    103.073   28.128    24.219  4.7124  25.776  4.2201  -1.557478      6.325838 
1 1 1 -1  -36 20 f 31.289  2.9338  151.362   23.071    196.407   33.321    109.880   31.976    36.447  3.4545  26.132  4.7430  10.31425       5.867653 
1 1 1 -1  -36 21 o 13.581  3.4412  24.725    16.635    45.710    25.660    9.5104    21.849    16.414  5.2022  10.748  4.5061  5.665755       6.882416 
1 1 1 -1  -36 22 o 23.284  3.2617  87.690    19.563    87.291    28.860    88.029    26.610    23.040  4.8309  23.528  4.3838  -0.4878635     6.523402 
1 1 1 -1  -36 23 o 18.991  3.7945  64.317    20.854    47.535    30.569    78.926    28.521    16.349  5.6922  21.634  5.0192  -5.284945      7.589000 
1 1 1 -1  -36 24 o 24.446  3.3605  97.361    21.131    120.749   31.687    78.629    28.358    27.384  4.4747  21.507  5.0149  5.876667       6.721028 
1 1 1 -1  -36 25 f 13.818  3.6942  31.157    18.734    28.537    28.364    33.184    24.951    13.541  5.3290  14.095  5.1176  -0.5541868     7.388435 
1 1 1 -1  -36 26 o 22.460  3.6781  89.501    21.738    80.222    31.860    97.584    29.735    20.866  5.5885  24.054  4.7836  -3.187716      7.356222 
1 1 1 -1  -36 27 o 12.430  3.4877  17.394    18.659    42.303    27.652    -3.4280   25.282    15.183  5.4029  9.6779  4.4119  5.504588       6.975398 
1 1 1 -1  -35 4  o 7.4395  2.4489  -11.8035  11.269    -6.2451   18.796    -14.9229  14.081    8.4747  3.8402  6.4044  3.0399  2.070266       4.897799 
1 1 1 -1  -35 5  o 11.082  3.0733  11.257    13.471    24.299    21.173    2.3874    17.461    12.988  4.7146  9.1752  3.9436  3.813191       6.146513 
1 1 1 -1  -35 6  o 7.8427  2.5254  -6.1857   10.968    -6.7152   19.221    -5.9301   13.356    8.5720  3.8840  7.1134  3.2288  1.458642       5.050785 
1 1 1 -1  -35 7  o 19.560  3.1673  58.307    16.258    75.636    24.876    45.383    21.482    22.164  4.3455  16.957  4.6090  5.207659       6.334545 
1 1 1 -1  -35 8  o 23.144  3.1204  86.106    18.333    55.227    26.881    112.958   25.067    18.431  5.2123  27.856  3.4321  -9.425526      6.240801 
1 1 1 -1  -35 9  o 7.6362  2.4764  -11.1177  10.547    1.1755    18.984    -16.6063  12.685    9.4167  4.0796  5.8558  2.8084  3.560881       4.952836 
1 1 1 -1  -35 10 o 29.242  2.6168  125.388   20.004    128.610   29.256    122.560   27.413    29.541  3.7845  28.943  3.6150  0.5980263      5.233665 
1 1 1 -1  -35 11 o 41.053  2.3554  241.902   25.652    256.349   36.916    228.412   35.672    42.280  3.2856  39.826  3.3759  2.454418       4.710791 
1 1 1 -1  -35 12 o 36.022  2.3897  186.814   22.765    192.682   33.097    181.545   31.361    36.529  3.4226  35.514  3.3360  1.014748       4.779378 
1 1 1 -1  -35 13 o 24.980  3.0728  93.871    19.720    108.345   29.594    82.313    26.446    26.778  4.2695  23.183  4.4203  3.594755       6.145608 
1 1 1 -1  -35 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -35 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -35 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -35 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -35 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -35 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -35 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -35 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -35 22 o 37.279  4.5613  215.197   44.595    0.0000    0.0000    215.197   44.595    ?       ?       37.279  4.5613  ?              ?        
1 1 1 -1  -35 23 o 30.297  2.9746  140.197   23.464    148.450   33.818    132.537   32.583    31.216  4.1473  29.379  4.2653  1.837465       5.949224 
1 1 1 -1  -35 24 o 21.498  3.5009  75.682    19.738    71.878    28.725    79.085    27.167    20.785  5.1786  22.211  4.7124  -1.425362      7.001784 
1 1 1 -1  -35 25 o 13.243  3.5247  23.423    17.395    37.521    26.043    12.068    23.372    15.150  5.2551  11.336  4.6988  3.814324       7.049471 
1 1 1 -1  -35 26 o 13.773  2.9138  19.420    16.919    -34.9963  25.570    61.803    22.566    7.8760  3.8280  19.670  4.3939  -11.79410      5.827530 
1 1 1 -1  -35 27 o 8.9461  2.9021  -8.3360   15.758    -7.9895   23.095    -8.6378   21.555    9.1285  4.1823  8.7637  4.0245  0.3647299      5.804214 
1 1 1 -1  -35 28 o 29.237  3.1956  137.359   23.959    161.963   34.613    114.726   33.198    32.193  4.1077  26.280  4.8963  5.913080       6.391168 
1 1 1 -1  -35 29 o 40.481  2.7047  252.628   28.969    259.624   41.587    246.034   40.376    41.022  3.8292  39.940  3.8208  1.081535       5.409379 
1 1 1 -1  -35 30 o 12.737  3.5903  24.244    18.570    18.931    27.536    28.675    25.149    12.190  5.0804  13.283  5.0746  -1.092973      7.180685 
1 1 1 -1  -35 31 o 16.428  3.5938  48.685    20.510    14.243    29.846    79.501    28.231    11.755  5.1041  21.100  5.0605  -9.344213      7.187524 
1 1 1 -1  -34 1  o 9.7959  2.8842  5.8828    12.732    -0.8653   19.257    11.124    16.971    9.2101  4.0471  10.382  4.1105  -1.171576      5.768468 
1 1 1 -1  -34 2  o 14.982  3.2177  32.545    14.485    49.594    22.273    20.049    19.068    17.767  4.6326  12.198  4.4669  5.569769       6.435383 
1 1 1 -1  -34 3  o 10.611  2.9406  11.734    11.958    13.754    18.980    10.404    15.399    11.178  4.3713  10.043  3.9345  1.135335       5.881185 
1 1 1 -1  -34 4  o 35.967  2.3648  184.918   22.209    224.342   32.435    150.123   30.472    39.775  3.0682  32.159  3.5994  7.616531       4.729614 
1 1 1 -1  -34 5  o 25.459  2.6019  94.922    17.143    92.344    25.236    97.131    23.359    25.010  3.8940  25.909  3.4519  -0.8995132     5.203769 
1 1 1 -1  -34 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -34 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -34 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -34 9  o 34.262  2.3907  168.962   21.471    152.729   31.103    183.740   29.677    32.500  3.6352  36.024  3.1060  -3.523983      4.781404 
1 1 1 -1  -34 10 o 31.487  2.4851  142.142   20.462    163.810   29.929    123.124   28.039    33.853  3.3444  29.120  3.6767  4.732912       4.970199 
1 1 1 -1  -34 11 o 8.0227  2.5734  -17.5079  11.644    7.7095    20.365    -29.7567  14.194    10.602  4.3896  5.4438  2.6873  5.157960       5.146857 
1 1 1 -1  -34 12 o 10.318  2.9688  6.6106    12.637    16.304    20.762    0.9066    15.926    11.891  4.5934  8.7441  3.7625  3.146826       5.937624 
1 1 1 -1  -34 13 o 16.034  3.1894  37.847    14.097    48.914    22.573    30.771    18.050    17.766  4.6789  14.302  4.3357  3.464486       6.378850 
1 1 1 -1  -34 14 o 16.326  3.3063  41.741    16.118    24.207    23.977    56.197    21.771    13.443  4.9938  19.208  4.3345  -5.765024      6.612566 
1 1 1 -1  -34 15 o 18.526  3.0750  50.409    16.451    88.530    24.636    19.733    22.100    24.489  3.8855  12.562  4.7670  11.92751       6.149958 
1 1 1 -1  -34 16 o 35.096  2.4135  176.863   22.232    202.848   32.011    152.650   30.900    37.748  3.1961  32.444  3.6174  5.303825       4.827069 
1 1 1 -1  -34 17 o 18.371  3.3403  51.646    17.041    72.290    25.236    34.342    23.104    21.726  4.4851  15.016  4.9510  6.710775       6.680510 
1 1 1 -1  -34 18 o 31.262  2.6652  142.951   21.794    156.527   31.279    130.141   30.384    32.819  3.6184  29.704  3.9142  3.115532       5.330482 
1 1 1 -1  -34 19 o 50.675  2.3263  367.432   31.354    384.229   43.988    350.083   44.703    51.966  3.1755  49.384  3.4003  2.581528       4.652545 
1 1 1 -1  -34 20 o 43.601  2.3831  273.546   27.550    254.901   39.019    292.082   38.905    41.994  3.5009  45.207  3.2344  -3.212906      4.766254 
1 1 1 -1  -34 21 f 42.447  2.4526  260.490   27.640    259.792   39.246    261.177   38.932    42.372  3.4890  42.522  3.4480  -0.1499214     4.905270 
1 1 1 -1  -34 22 o 21.797  3.3572  76.497    19.223    54.971    27.902    95.949    26.523    18.330  5.3503  25.265  4.0567  -6.934441      6.714373 
1 1 1 -1  -34 23 o 21.801  3.3168  74.587    18.786    77.890    27.114    71.537    26.053    22.276  4.6925  21.326  4.6887  0.9494591      6.633546 
1 1 1 -1  -34 24 o 18.467  3.3916  56.247    18.284    29.401    26.943    79.163    24.893    14.206  5.2904  22.727  4.2454  -8.520534      6.783229 
1 1 1 -1  -34 25 o 19.687  3.4883  62.274    18.421    72.251    26.897    53.459    25.282    21.256  4.8335  18.117  5.0309  3.139122       6.976598 
1 1 1 -1  -34 26 o 11.028  3.0632  -4.8806   16.988    -47.0321  24.293    35.456    23.765    7.0983  3.5062  14.958  5.0240  -7.859316      6.126482 
1 1 1 -1  -34 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -34 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -34 29 o 20.904  3.5915  75.616    20.884    47.097    30.407    101.083   28.734    16.486  5.6806  25.321  4.3961  -8.835318      7.182967 
1 1 1 -1  -34 30 o 15.230  3.5812  37.443    18.922    13.929    27.577    58.363    26.012    11.956  5.0399  18.505  5.0893  -6.548885      7.162485 
1 1 1 -1  -34 31 o 14.986  3.7926  37.992    19.300    44.395    28.469    32.547    26.254    15.860  5.4948  14.112  5.2289  1.748713       7.585101 
1 1 1 -1  -34 32 o 14.375  3.6875  35.493    18.606    27.809    28.456    41.230    24.591    13.402  5.3176  15.349  5.1102  -1.946252      7.374994 
1 1 1 -1  -34 33 o 34.337  2.8573  187.207   25.734    199.728   37.605    176.178   35.293    35.427  4.0349  33.247  4.0467  2.180187       5.714520 
1 1 1 -1  -34 34 f 25.812  3.5256  117.259   23.450    125.727   34.506    109.993   31.965    26.655  5.0173  24.968  4.9545  1.686682       7.051267 
1 1 1 -1  -33 1  o 10.208  2.8174  7.1102    11.355    20.633    18.269    -1.4032   14.496    12.341  4.3916  8.0749  3.5306  4.266210       5.634868 
1 1 1 -1  -33 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -33 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -33 4  o 12.188  3.1116  17.711    13.138    28.331    20.389    10.172    17.179    13.960  4.6534  10.415  4.1319  3.544987       6.223117 
1 1 1 -1  -33 5  o 36.464  2.2233  187.575   21.476    199.934   30.848    175.950   29.918    37.671  3.0843  35.257  3.2030  2.413620       4.446568 
1 1 1 -1  -33 6  o 21.203  2.7851  65.478    15.148    82.085    22.671    52.084    20.360    23.771  3.6795  18.634  4.1820  5.137197       5.570219 
1 1 1 -1  -33 7  o 27.302  2.7181  110.243   18.859    89.293    27.406    129.088   25.992    24.468  4.3407  30.135  3.2728  -5.666887      5.436245 
1 1 1 -1  -33 8  o 37.561  2.2536  198.577   22.367    223.297   32.562    176.493   30.777    39.846  3.0747  35.275  3.2955  4.571407       4.507139 
1 1 1 -1  -33 9  o 8.8499  2.7279  -0.5181   11.880    -4.5270   19.706    1.7705    14.889    9.0564  4.0311  8.6434  3.6763  0.4130344      5.455703 
1 1 1 -1  -33 10 o 20.760  3.0052  63.852    16.108    72.809    23.997    56.505    21.732    22.126  4.2027  19.393  4.2967  2.733276       6.010371 
1 1 1 -1  -33 11 o 8.1169  2.5379  -2.3542   10.454    -6.5864   18.075    -0.2269   12.815    8.4426  3.8012  7.7913  3.3637  0.6512761      5.075743 
1 1 1 -1  -33 12 o 22.284  2.9736  75.232    16.924    60.067    24.781    88.489    23.169    19.813  4.7341  24.756  3.5996  -4.942183      5.947169 
1 1 1 -1  -33 13 o 33.555  2.4346  160.479   21.225    194.866   30.766    129.251   29.319    37.195  3.1169  29.915  3.7408  7.279551       4.869196 
1 1 1 -1  -33 14 o 49.666  2.2269  346.895   29.464    357.483   41.984    336.620   41.360    50.435  3.1233  48.898  3.1751  1.537064       4.453748 
1 1 1 -1  -33 15 o 42.244  2.2750  252.043   25.534    244.237   36.177    259.792   36.044    41.548  3.2775  42.939  3.1560  -1.391693      4.549957 
1 1 1 -1  -33 16 o 37.852  2.3319  203.146   23.398    204.328   33.564    202.028   32.634    37.934  3.3373  37.769  3.2577  0.1653023      4.663710 
1 1 1 -1  -33 17 o 41.481  2.3057  243.643   25.410    240.666   35.863    246.645   36.009    41.215  3.2757  41.747  3.2458  -0.5319405     4.611486 
1 1 1 -1  -33 18 o 27.389  2.7348  109.428   19.481    111.852   28.359    107.262   26.807    27.637  3.9427  27.141  3.7910  0.4962273      5.469627 
1 1 1 -1  -33 19 o 54.395  2.2552  418.532   32.638    448.862   46.161    388.211   46.154    56.484  3.0626  52.307  3.3114  4.177017       4.510494 
1 1 1 -1  -33 20 o 34.845  2.5231  174.924   23.204    172.398   33.126    177.357   32.513    34.551  3.6339  35.138  3.5012  -0.5870171     5.046119 
1 1 1 -1  -33 21 o 32.707  2.6062  156.305   22.023    185.128   31.176    127.597   31.115    36.032  3.2658  29.381  4.0624  6.650820       5.212361 
1 1 1 -1  -33 22 o 20.357  3.2471  63.959    17.265    63.999    25.100    63.922    23.786    20.300  4.7077  20.415  4.4735  -0.1152992     6.494267 
1 1 1 -1  -33 23 o 24.626  3.0251  91.579    19.210    91.731    27.808    91.440    26.570    24.578  4.3848  24.674  4.1688  -0.9557915E-01 6.050267 
1 1 1 -1  -33 24 o 26.908  3.0756  111.374   20.815    80.471    29.393    142.463   29.482    22.544  4.9989  31.272  3.5844  -8.728558      6.151152 
1 1 1 -1  -33 25 o 21.124  3.1231  70.927    18.956    124.739   27.262    20.559    26.375    29.222  3.5563  13.027  5.1350  16.19555       6.246208 
1 1 1 -1  -33 26 o 14.376  3.3355  29.051    16.965    3.9484    24.752    51.294    23.299    10.798  4.6682  17.954  4.7656  -7.155914      6.671028 
1 1 1 -1  -33 27 o 24.468  3.1376  92.729    19.744    105.183   28.153    80.677    27.696    26.338  4.1263  22.597  4.7278  3.740881       6.275226 
1 1 1 -1  -33 28 f 10.567  3.2272  2.0824    16.764    13.530    25.461    -6.6781   22.273    11.910  4.9178  9.2245  4.1802  2.685520       6.454346 
1 1 1 -1  -33 29 o 28.018  2.9241  119.535   21.234    130.677   30.746    109.375   29.361    29.377  4.0123  26.660  4.2548  2.717209       5.848237 
1 1 1 -1  -33 30 f 14.635  3.4007  26.936    18.069    61.463    26.814    -1.7817   24.454    19.222  5.1174  10.047  4.4800  9.174380       6.801357 
1 1 1 -1  -33 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -33 32 o 16.051  5.6801  44.688    30.522    0.0000    0.0000    44.688    30.522    ?       ?       16.051  5.6801  ?              ?        
1 1 1 -1  -33 33 o 10.274  3.1984  1.3938    17.173    10.901    25.411    -6.5982   23.299    11.300  4.8043  9.2482  4.2235  2.051919       6.396822 
1 1 1 -1  -33 34 o 19.045  3.8083  65.295    20.279    64.307    29.848    66.142    27.637    18.738  5.5519  19.351  5.2144  -0.6135330     7.616687 
1 1 1 -1  -33 35 o 28.068  3.2040  131.337   23.001    118.974   33.768    142.038   31.417    26.263  4.9826  29.872  4.0293  -3.609316      6.407948 
1 1 1 -1  -33 36 o 25.787  3.4625  115.806   22.991    132.581   33.751    101.283   31.404    27.801  4.7000  23.773  5.0858  4.028587       6.924970 
1 1 1 -1  -32 1  o 22.640  2.7183  75.440    15.783    67.661    22.975    82.392    21.720    21.345  4.1680  23.936  3.4905  -2.591005      5.436533 
1 1 1 -1  -32 2  o 24.468  2.5855  86.301    16.398    93.237    23.772    80.006    22.648    25.452  3.5864  23.483  3.7251  1.968946       5.170924 
1 1 1 -1  -32 3  o 44.882  2.1682  282.107   25.902    283.119   37.062    281.141   36.214    44.940  3.0979  44.823  3.0342  0.1174965      4.336312 
1 1 1 -1  -32 4  o 46.231  2.1811  299.383   26.834    290.461   38.220    308.056   37.684    45.503  3.1554  46.959  3.0119  -1.456924      4.362102 
1 1 1 -1  -32 5  o 13.231  2.9819  21.739    12.639    40.091    19.619    8.7186    16.526    16.354  4.3878  10.109  4.0391  6.245027       5.963811 
1 1 1 -1  -32 6  o 47.279  2.1180  311.560   26.668    312.273   38.390    310.895   37.072    47.299  3.0464  47.258  2.9433  0.4119873E-01  4.236030 
1 1 1 -1  -32 7  o 10.709  2.8713  12.534    11.549    4.5812    18.630    17.498    14.718    9.9557  4.1665  11.461  3.9520  -1.505711      5.742621 
1 1 1 -1  -32 8  o 40.477  2.1883  228.536   23.511    245.661   33.932    212.723   32.606    41.970  3.0390  38.983  3.1496  2.986614       4.376689 
1 1 1 -1  -32 9  o 54.986  2.1472  420.423   31.495    426.121   45.064    414.983   44.036    55.340  3.0520  54.631  3.0212  0.7093430      4.294411 
1 1 1 -1  -32 10 o 15.117  3.1153  34.140    14.040    20.384    21.192    44.902    18.744    12.791  4.7054  17.443  4.0839  -4.652538      6.230529 
1 1 1 -1  -32 11 o 22.368  2.8032  72.020    15.987    95.221    23.787    52.905    21.591    25.862  3.5258  18.873  4.3591  6.989668       5.606457 
1 1 1 -1  -32 12 o 20.994  2.8553  62.625    15.397    97.645    23.631    36.790    20.297    26.232  3.4467  15.755  4.5532  10.47685       5.710688 
1 1 1 -1  -32 13 o 30.583  2.3917  131.716   19.245    138.566   27.940    125.532   26.547    31.347  3.3812  29.820  3.3835  1.526859       4.783412 
1 1 1 -1  -32 14 o 46.534  2.1749  301.730   26.867    330.210   38.202    273.856   37.793    48.795  2.9366  44.273  3.2088  4.521889       4.349725 
1 1 1 -1  -32 15 o 15.366  3.1800  35.000    14.019    30.087    20.489    39.326    19.224    14.454  4.6558  16.278  4.3327  -1.823153      6.359984 
1 1 1 -1  -32 16 o 39.350  2.2886  217.347   23.826    199.217   33.772    235.313   33.620    37.621  3.3878  41.078  3.0779  -3.457298      4.577233 
1 1 1 -1  -32 17 o 20.801  3.1569  64.416    17.050    64.148    24.670    64.662    23.590    20.714  4.5691  20.887  4.3576  -0.1728268     6.313871 
1 1 1 -1  -32 18 o 61.010  2.1848  518.711   35.557    553.731   50.208    483.476   50.362    63.205  2.9657  58.815  3.2090  4.390804       4.369591 
1 1 1 -1  -32 19 o 16.948  3.2975  43.814    16.520    23.189    24.347    61.413    22.490    13.547  5.0323  20.349  4.2628  -6.801967      6.595087 
1 1 1 -1  -32 20 o 23.996  2.8922  83.933    17.874    94.175    26.226    75.049    24.426    25.437  3.9798  22.555  4.1976  2.882349       5.784359 
1 1 1 -1  -32 21 o 30.295  2.5368  131.081   20.158    139.813   29.168    123.098   27.890    31.293  3.5423  29.297  3.6321  1.996296       5.073509 
1 1 1 -1  -32 22 o 21.162  3.1661  67.454    17.397    74.648    24.822    60.509    24.389    22.382  4.2966  19.941  4.6514  2.441206       6.332221 
1 1 1 -1  -32 23 o 26.538  2.8330  103.425   19.432    113.759   27.606    93.276    27.359    27.999  3.7774  25.077  4.2232  2.922285       5.666043 
1 1 1 -1  -32 24 o 49.650  2.2789  350.054   29.952    389.488   42.199    310.018   42.519    52.661  3.0042  46.639  3.4277  6.022602       4.557893 
1 1 1 -1  -32 25 o 12.398  3.3208  18.069    15.428    26.516    22.208    10.189    21.448    13.680  4.8447  11.116  4.5429  2.564028       6.641502 
1 1 1 -1  -32 26 o 18.087  3.3609  50.517    17.236    71.576    25.017    31.486    23.781    21.626  4.4668  14.549  5.0231  7.076193       6.721879 
1 1 1 -1  -32 27 o 12.986  3.4533  21.966    16.356    26.826    23.833    17.639    22.488    13.745  5.0000  12.227  4.7645  1.517441       6.906571 
1 1 1 -1  -32 28 o 45.335  2.3289  295.460   27.954    329.534   39.963    262.816   39.115    48.062  3.1212  42.608  3.4572  5.453690       4.657732 
1 1 1 -1  -32 29 o 18.573  3.5632  55.760    18.157    59.506    26.512    52.451    24.919    19.135  5.0857  18.012  4.9922  1.123249       7.126402 
1 1 1 -1  -32 30 o 36.024  2.5607  190.313   24.290    211.463   35.523    171.740   33.289    37.987  3.5318  34.061  3.7088  3.925999       5.121404 
1 1 1 -1  -32 31 o 15.376  3.2810  34.989    17.674    1.6119    25.800    64.501    24.261    10.632  4.6779  20.120  4.6018  -9.487610      6.561947 
1 1 1 -1  -32 32 o 14.771  3.6281  33.811    17.732    44.992    26.477    24.717    23.877    16.400  5.2936  13.143  4.9628  3.257710       7.256140 
1 1 1 -1  -32 33 o 17.115  3.6613  49.826    18.676    38.273    27.335    59.940    25.576    15.241  5.3774  18.990  4.9704  -3.748623      7.322618 
1 1 1 -1  -32 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -32 35 o 25.672  3.3741  111.321   21.940    85.287    32.437    133.276   29.787    21.936  5.5239  29.407  3.8762  -7.470634      6.748186 
1 1 1 -1  -32 36 o 9.2728  2.9021  -17.4674  16.553    20.044    23.522    -54.2658  23.298    12.084  4.8220  6.4614  3.2308  5.622811       5.804289 
1 1 1 -1  -32 37 o 20.466  3.7241  76.425    20.623    69.565    29.763    82.761    28.603    19.258  5.4980  21.675  5.0248  -2.416368      7.448283 
1 1 1 -1  -32 38 o 12.821  3.5188  24.925    18.533    43.866    26.306    6.2579    26.115    15.168  5.2804  10.474  4.6526  4.693542       7.037652 
1 1 1 -1  -31 1  o 11.203  2.9712  14.301    11.976    16.462    18.201    12.651    15.904    11.720  4.3515  10.687  4.0467  1.033460       5.942331 
1 1 1 -1  -31 2  o 9.4757  2.5140  -4.3518   10.713    25.097    16.631    -25.2363  14.006    13.252  4.1869  5.6991  2.7839  7.553128       5.027962 
1 1 1 -1  -31 3  o 23.775  2.4806  80.318    15.041    101.406   22.057    61.989    20.564    26.879  3.1218  20.671  3.8560  6.208242       4.961283 
1 1 1 -1  -31 4  o 26.000  2.4320  95.899    16.459    92.613    23.999    98.816    22.615    25.501  3.6146  26.499  3.2547  -0.9976139     4.864020 
1 1 1 -1  -31 5  o 49.028  2.0663  332.033   27.001    343.993   38.711    320.702   37.680    49.896  2.9091  48.159  2.9351  1.737282       4.132525 
1 1 1 -1  -31 6  o 9.8532  2.3142  5.3867    10.105    -29.5936  16.507    26.348    12.778    6.1967  3.0259  13.510  3.5023  -7.313018      4.628379 
1 1 1 -1  -31 7  o 17.635  3.0054  47.171    14.385    30.840    21.540    60.318    19.327    14.744  4.7764  20.526  3.6491  -5.781446      6.010769 
1 1 1 -1  -31 8  o 32.994  2.2509  151.510   19.634    153.112   28.292    150.022   27.269    33.146  3.2277  32.842  3.1381  0.3042297      4.501771 
1 1 1 -1  -31 9  o 34.732  2.2299  167.334   20.394    191.314   29.507    145.402   28.220    37.192  2.9873  32.272  3.3116  4.919895       4.459891 
1 1 1 -1  -31 10 o 51.183  2.1108  361.277   28.725    396.726   41.033    327.210   40.225    53.712  2.8625  48.654  3.1029  5.058311       4.221587 
1 1 1 -1  -31 11 o 47.281  2.1514  308.762   27.081    296.522   38.348    320.939   38.249    46.311  3.1095  48.251  2.9740  -1.939964      4.302760 
1 1 1 -1  -31 12 o 17.062  3.1851  42.897    14.781    39.712    21.754    45.629    20.145    16.466  4.7003  17.658  4.2995  -1.192461      6.370104 
1 1 1 -1  -31 13 o 42.607  2.1415  250.962   24.220    230.938   34.132    271.269   34.372    40.836  3.1447  44.379  2.9077  -3.543186      4.283008 
1 1 1 -1  -31 14 o 66.529  2.1687  609.044   38.634    626.237   54.645    591.861   54.629    67.493  3.0228  65.564  3.1107  1.928543       4.337476 
1 1 1 -1  -31 15 o 45.939  2.1396  291.592   26.152    304.175   36.820    278.782   37.151    46.981  2.9408  44.896  3.1085  2.085415       4.279126 
1 1 1 -1  -31 16 o 51.788  2.1245  369.922   29.342    365.436   41.298    374.494   41.695    51.468  3.0089  52.108  3.0001  -0.6402931     4.248961 
1 1 1 -1  -31 17 o 16.858  3.2100  41.673    14.805    44.871    21.635    38.856    20.302    17.441  4.5746  16.275  4.5044  1.166033       6.420052 
1 1 1 -1  -31 18 o 8.1179  2.6068  -13.3298  12.300    0.9650    19.540    -22.7109  15.829    9.7763  4.1860  6.4596  3.1080  3.316728       5.213657 
1 1 1 -1  -31 19 o 19.807  3.0512  57.481    15.732    62.040    22.616    53.206    21.899    20.607  4.2388  19.007  4.3901  1.600233       6.102469 
1 1 1 -1  -31 20 o 18.821  3.1669  52.283    15.627    53.473    23.788    51.379    20.726    18.942  4.7088  18.700  4.2361  0.2420464      6.333852 
1 1 1 -1  -31 21 o 53.763  2.1891  401.324   31.371    407.773   43.861    394.569   44.888    54.245  3.0309  53.280  3.1595  0.9652443      4.378180 
1 1 1 -1  -31 22 o 15.671  3.2776  34.970    15.643    52.399    22.441    18.495    21.818    18.750  4.5211  12.593  4.7468  6.156823       6.555274 
1 1 1 -1  -31 23 o 45.346  2.2239  286.841   26.826    273.134   37.489    301.223   38.402    44.207  3.1875  46.485  3.1021  -2.277592      4.447818 
1 1 1 -1  -31 24 o 37.887  2.2720  201.651   22.811    191.764   32.303    211.486   32.218    36.905  3.3028  38.868  3.1210  -1.962872      4.544075 
1 1 1 -1  -31 25 o 46.240  2.1909  299.204   26.961    284.668   37.705    314.411   38.565    45.058  3.1439  47.423  3.0523  -2.365028      4.381894 
1 1 1 -1  -31 26 o 48.861  2.2023  335.173   28.672    333.763   40.403    336.604   40.694    48.761  3.1098  48.961  3.1193  -0.2009468     4.404607 
1 1 1 -1  -31 27 o 14.691  2.7021  26.898    15.068    -20.6923  22.607    64.942    20.213    8.3221  3.9205  21.059  3.7195  -12.73691      5.404158 
1 1 1 -1  -31 28 o 9.1719  2.8758  -3.2310   14.003    -7.6166   21.609    -0.0557   18.387    9.1381  4.1313  9.2058  4.0016  -0.6769943E-01 5.751567 
1 1 1 -1  -31 29 o 15.325  3.4673  35.869    16.136    41.752    23.606    30.709    22.108    16.319  4.9607  14.332  4.8455  1.987060       6.934524 
1 1 1 -1  -31 30 o 17.204  3.5195  46.817    17.190    54.281    25.246    40.364    23.472    18.417  4.9926  15.990  4.9622  2.427091       7.039088 
1 1 1 -1  -31 31 o 14.846  3.3371  30.699    16.470    55.517    24.388    9.8873    22.332    18.621  4.8438  11.072  4.5916  7.548203       6.674180 
1 1 1 -1  -31 32 f 47.787  2.3244  330.412   29.542    327.569   42.565    333.055   41.034    47.502  3.3673  48.073  3.2051  -0.5714874     4.648820 
1 1 1 -1  -31 33 o 24.468  3.2056  93.571    20.169    102.405   30.089    86.362    27.179    25.501  4.5730  23.436  4.4933  2.065847       6.411154 
1 1 1 -1  -31 34 o 25.225  3.2762  104.607   20.854    75.238    30.680    129.829   28.431    21.010  5.4170  29.441  3.6862  -8.430883      6.552316 
1 1 1 -1  -31 35 o 13.594  3.5918  27.896    17.577    30.289    25.521    25.736    24.243    13.962  5.1589  13.225  4.9991  0.7363491      7.183688 
1 1 1 -1  -31 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -31 37 o 22.560  3.4867  86.316    20.690    110.137   29.852    64.293    28.703    26.140  4.4213  18.979  5.3926  7.160439       6.973417 
1 1 1 -1  -31 38 o 14.939  3.7463  39.332    18.768    45.356    27.790    34.281    25.447    15.751  5.4305  14.128  5.1624  1.623405       7.492689 
1 1 1 -1  -31 39 o 17.440  3.8476  58.444    20.355    47.088    29.161    69.235    28.427    15.628  5.5498  19.252  5.3305  -3.624009      7.695106 
1 1 1 -1  -31 40 o 10.781  3.3499  9.1218    19.084    19.606    26.332    -2.4783   27.697    11.727  4.9331  9.8353  4.5334  1.891366       6.699738 
1 1 1 -1  -30 1  o 12.310  2.8543  19.399    11.002    28.739    16.963    12.618    14.453    14.122  4.1857  10.498  3.8817  3.624086       5.708537 
1 1 1 -1  -30 2  o 20.014  2.6363  57.473    13.597    56.839    19.687    58.051    18.802    19.870  3.8380  20.158  3.6151  -0.2883949     5.272548 
1 1 1 -1  -30 3  o 9.9167  2.6258  8.2568    10.314    -4.1669   15.202    18.854    14.040    8.0453  3.5628  11.788  3.8583  -3.742766      5.251616 
1 1 1 -1  -30 4  o 9.8170  2.7484  7.8968    10.775    3.9345    16.502    10.842    14.226    9.4906  3.9422  10.143  3.8306  -0.6528816     5.496767 
1 1 1 -1  -30 5  o 22.325  2.5529  70.094    14.685    80.133    21.681    61.585    19.960    23.858  3.4964  20.791  3.7209  3.067030       5.105849 
1 1 1 -1  -30 6  o 15.150  2.9480  33.452    12.514    26.144    18.602    39.494    16.915    13.752  4.4369  16.548  3.8829  -2.796523      5.896019 
1 1 1 -1  -30 7  o 74.087  2.2119  752.166   43.880    776.471   62.727    728.875   61.406    75.267  3.1114  72.906  3.1446  2.361160       4.423722 
1 1 1 -1  -30 8  o 27.565  2.4235  106.793   17.336    94.912    25.047    117.719   24.019    25.970  3.7059  29.160  3.1239  -3.190073      4.846949 
1 1 1 -1  -30 9  o 70.914  2.1760  688.214   41.322    685.973   58.973    690.376   57.919    70.784  3.1105  71.044  3.0437  -0.2597427     4.351950 
1 1 1 -1  -30 10 o 14.235  3.0081  27.425    12.576    38.544    19.018    18.784    16.765    16.331  4.2917  12.140  4.2160  4.191238       6.016105 
1 1 1 -1  -30 11 o 89.124  2.3503  1090.16   56.019    1169.72   79.906    1013.27   78.558    92.382  3.2292  85.866  3.4157  6.516655       4.700521 
1 1 1 -1  -30 12 o 44.132  2.1150  267.581   24.780    290.151   35.091    245.128   34.999    46.044  2.8595  42.220  3.1170  3.824242       4.229925 
1 1 1 -1  -30 13 o 78.605  2.2433  846.120   47.228    836.466   66.837    855.747   66.743    78.146  3.1932  79.064  3.1517  -0.9182892     4.486584 
1 1 1 -1  -30 14 o 41.363  2.1503  235.081   23.647    226.625   33.320    243.661   33.564    40.594  3.0877  42.132  2.9936  -1.538631      4.300643 
1 1 1 -1  -30 15 o 50.652  2.1056  351.583   28.438    345.232   39.912    358.131   40.529    50.184  2.9827  51.120  2.9728  -0.9357338     4.211205 
1 1 1 -1  -30 16 o 34.308  2.2421  162.707   20.290    146.441   28.465    179.509   28.930    32.501  3.3162  36.115  3.0184  -3.613445      4.484173 
1 1 1 -1  -30 17 o 35.239  2.2689  171.941   21.116    185.730   29.840    158.112   29.884    36.716  3.0622  33.763  3.3487  2.953453       4.537704 
1 1 1 -1  -30 18 o 12.144  3.1086  15.612    14.024    0.6306    20.695    28.334    19.071    10.063  4.3083  14.226  4.4823  -4.163108      6.217113 
1 1 1 -1  -30 19 o 26.714  2.5824  101.063   17.819    88.426    25.527    113.072   24.884    24.941  3.9531  28.487  3.3237  -3.546490      5.164710 
1 1 1 -1  -30 20 o 41.644  2.1508  239.058   23.823    236.573   33.772    241.520   33.611    41.418  3.0661  41.870  3.0172  -0.4520531     4.301692 
1 1 1 -1  -30 21 f 69.370  2.1816  661.855   40.495    688.595   56.925    634.458   57.620    70.838  3.0002  67.903  3.1681  2.935555       4.363233 
1 1 1 -1  -30 22 o 32.387  2.3145  146.170   19.795    149.608   27.907    142.688   28.082    32.795  3.2185  31.980  3.3271  0.8149281      4.629046 
1 1 1 -1  -30 23 o 36.136  2.2435  181.604   21.418    164.243   30.045    199.542   30.541    34.310  3.3105  37.963  3.0287  -3.653675      4.486945 
1 1 1 -1  -30 24 o 15.372  3.3476  33.875    15.294    41.485    22.149    26.940    21.144    16.747  4.7297  13.997  4.7387  2.749464       6.695167 
1 1 1 -1  -30 25 o 30.379  2.4855  131.201   19.570    109.772   27.715    152.510   27.637    27.713  3.8366  33.045  3.1610  -5.332325      4.971092 
1 1 1 -1  -30 26 o 27.531  2.6273  108.730   18.768    99.304    26.956    117.599   26.146    26.239  3.9586  28.824  3.4554  -2.585711      5.254578 
1 1 1 -1  -30 27 o 23.985  2.9148  83.599    17.950    99.382    26.386    70.002    24.491    26.237  3.8709  21.732  4.3590  4.504967       5.829630 
1 1 1 -1  -30 28 o 24.823  2.8350  89.850    18.175    97.828    26.212    82.463    25.223    25.962  3.8892  23.685  4.1258  2.276777       5.669943 
1 1 1 -1  -30 29 f 12.652  3.0913  16.033    14.513    39.955    21.446    -4.1768   19.711    16.209  4.6791  9.0955  4.0409  7.113526       6.182501 
1 1 1 -1  -30 30 o 11.479  3.1622  11.227    15.136    -5.3445   22.171    25.692    20.714    9.4956  4.2475  13.463  4.6857  -3.967340      6.324378 
1 1 1 -1  -30 31 o 9.6354  2.9360  -1.0312   14.005    10.696    21.061    -10.3286  18.752    11.086  4.5130  8.1844  3.7567  2.901955       5.871964 
1 1 1 -1  -30 32 o 31.569  2.6272  146.017   21.444    176.374   31.128    118.597   29.583    34.960  3.3658  28.178  4.0348  6.782358       5.254353 
1 1 1 -1  -30 33 o 12.663  3.3448  17.417    16.169    37.216    24.423    1.9680    21.574    15.337  5.0920  9.9899  4.3385  5.346892       6.689638 
1 1 1 -1  -30 34 o 11.248  3.0397  5.7657    15.453    -23.7428  22.145    33.771    21.573    7.8601  3.7537  14.637  4.7822  -6.776724      6.079486 
1 1 1 -1  -30 35 o 20.399  3.4361  68.116    18.538    62.435    26.815    73.317    25.657    19.374  5.0982  21.423  4.6080  -2.048964      6.872120 
1 1 1 -1  -30 36 o 7.1719  2.4558  -27.9934  14.516    -26.2303  20.887    -29.6404  20.188    7.3574  3.5473  6.9865  3.3969  0.3709555      4.911510 
1 1 1 -1  -30 37 o 21.417  3.5280  77.044    20.131    95.586    28.744    59.193    28.203    24.389  4.5679  18.445  5.3777  5.943552       7.055933 
1 1 1 -1  -30 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -30 39 o 15.088  3.5216  34.133    19.348    68.463    28.113    3.2417    26.668    19.610  5.2485  10.566  4.6969  9.044732       7.043281 
1 1 1 -1  -30 40 o 20.177  3.8229  76.196    21.468    90.210    30.168    61.819    30.555    22.512  5.1190  17.843  5.6792  4.668560       7.645751 
1 1 1 -1  -30 41 o 9.7351  3.1336  -0.5678   17.968    -2.6351   25.485    1.4756    25.337    9.5739  4.3890  9.8963  4.4738  -0.3223352     6.267269 
1 1 1 -1  -29 1  o 40.661  2.0798  227.103   22.453    245.702   32.115    209.318   31.403    42.328  2.8491  38.993  3.0305  3.335247       4.159547 
1 1 1 -1  -29 2  o 31.242  2.1109  134.459   17.443    139.587   24.913    129.528   24.429    31.840  2.9549  30.644  3.0153  1.195763       4.221828 
1 1 1 -1  -29 3  o 79.179  2.2341  857.554   47.368    885.411   67.586    830.661   66.406    80.455  3.1363  77.904  3.1825  2.551315       4.468148 
1 1 1 -1  -29 4  o 60.572  2.0684  499.960   33.552    505.750   47.999    494.428   46.918    60.909  2.9421  60.235  2.9080  0.6734161      4.136764 
1 1 1 -1  -29 5  o 26.368  2.3840  96.980    16.378    90.730    23.649    102.741   22.705    25.482  3.5622  27.255  3.1694  -1.772690      4.768087 
1 1 1 -1  -29 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -29 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -29 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -29 9  o 10.066  2.5227  2.1161    10.110    26.784    16.109    -13.9163  12.987    13.814  4.0749  6.3189  2.9752  7.494709       5.045468 
1 1 1 -1  -29 10 o 60.982  2.0579  506.124   33.514    538.571   47.742    474.600   47.058    62.970  2.8306  58.994  2.9879  3.976688       4.115762 
1 1 1 -1  -29 11 o 14.552  3.0258  29.711    12.577    32.309    18.292    27.381    17.322    15.092  4.3107  14.012  4.2472  1.080218       6.051543 
1 1 1 -1  -29 12 o 53.359  2.0459  388.247   29.103    405.895   41.099    370.496   41.218    54.603  2.8198  52.116  2.9650  2.486988       4.091742 
1 1 1 -1  -29 13 f 60.217  2.0462  492.794   33.002    494.495   46.560    491.076   46.786    60.325  2.8816  60.109  2.9059  0.2162743      4.092429 
1 1 1 -1  -29 14 f 30.597  2.2381  129.045   18.026    118.857   25.434    139.327   25.553    29.336  3.2938  31.858  3.0310  -2.522242      4.476152 
1 1 1 -1  -29 15 o 26.572  2.4298  98.746    16.674    83.267    23.651    114.042   23.510    24.369  3.7431  28.775  3.0992  -4.406557      4.859652 
1 1 1 -1  -29 16 o 27.445  2.4016  104.932   17.132    118.124   24.181    91.634    24.277    29.279  3.1320  25.611  3.6415  3.667343       4.803155 
1 1 1 -1  -29 17 o 53.371  2.0338  388.456   28.961    387.157   40.523    389.811   41.404    53.289  2.8494  53.453  2.9028  -0.1648598     4.067593 
1 1 1 -1  -29 18 o 43.807  2.0690  262.293   24.104    244.979   33.738    280.345   34.450    42.303  2.9970  45.311  2.8531  -3.008781      4.137919 
1 1 1 -1  -29 19 o 38.176  2.1427  200.357   21.678    209.408   30.160    190.683   31.180    39.113  2.8995  37.238  3.1557  1.874271       4.285491 
1 1 1 -1  -29 20 o 17.358  3.0148  44.345    14.983    19.835    21.746    66.492    20.671    13.016  4.7698  21.700  3.6885  -8.683894      6.029588 
1 1 1 -1  -29 21 o 33.481  5.1170  161.628   44.432    161.628   44.432    0.0000    0.0000    33.481  5.1170  ?       ?       ?              ?        
1 1 1 -1  -29 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -29 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -29 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -29 25 o 25.516  5.5346  102.733   38.863    101.856   45.538    105.082   74.562    25.607  6.5982  25.425  8.8877  0.1824303      11.06923 
1 1 1 -1  -29 26 o 10.216  2.9767  3.4394    13.494    13.951    19.969    -5.3936   18.305    11.690  4.5079  8.7421  3.8886  2.947932       5.953306 
1 1 1 -1  -29 27 o 30.941  2.4802  134.871   19.812    165.935   28.732    106.712   27.356    34.525  3.1414  27.357  3.8389  7.167856       4.960405 
1 1 1 -1  -29 28 o 19.433  3.1071  55.545    15.832    65.705    23.135    46.595    21.713    21.175  4.2272  17.691  4.5550  3.484018       6.214282 
1 1 1 -1  -29 29 o 18.822  3.0195  55.022    15.973    22.858    23.272    83.667    21.962    13.420  4.9318  24.224  3.4853  -10.80392      6.038985 
1 1 1 -1  -29 30 o 20.387  3.1172  61.381    16.525    74.642    24.660    50.572    22.264    22.467  4.2536  18.308  4.5580  4.159187       6.234438 
1 1 1 -1  -29 31 o 19.073  3.2976  56.013    16.799    47.638    24.503    63.442    23.076    17.578  4.9783  20.569  4.3257  -2.991714      6.595103 
1 1 1 -1  -29 32 o 28.583  2.6197  118.352   19.510    121.889   29.013    115.433   26.360    28.894  3.8443  28.272  3.5599  0.6219711      5.239412 
1 1 1 -1  -29 33 o 16.262  3.4300  41.630    16.247    34.753    24.246    47.234    21.887    15.100  5.0746  17.425  4.6159  -2.325210      6.859901 
1 1 1 -1  -29 34 o 17.813  3.3791  50.260    16.477    54.508    23.709    46.291    22.914    18.551  4.7507  17.074  4.8067  1.476809       6.758243 
1 1 1 -1  -29 35 o 38.094  2.4467  212.081   24.621    197.232   34.951    226.709   34.690    36.624  3.6099  39.564  3.3037  -2.939770      4.893461 
1 1 1 -1  -29 36 f 23.431  3.2653  87.669    19.728    114.427   28.398    62.712    27.426    27.462  3.9764  19.400  5.1804  8.061565       6.530629 
1 1 1 -1  -29 37 o 22.971  3.3167  88.548    20.296    44.392    28.657    132.988   28.750    16.167  5.5166  29.774  3.6835  -13.60711      6.633305 
1 1 1 -1  -29 38 o 15.213  3.6359  38.010    18.007    27.475    25.209    48.985    25.731    13.490  5.0981  16.936  5.1855  -3.446047      7.271867 
1 1 1 -1  -29 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -29 40 o 10.601  3.1759  0.6875    17.219    26.827    24.873    -23.3672  23.860    13.129  5.0392  8.0732  3.8665  5.055988       6.351705 
1 1 1 -1  -29 41 o 11.670  3.4160  14.616    18.045    0.9814    24.987    29.479    26.087    10.004  4.4897  13.335  5.1495  -3.330703      6.831940 
1 1 1 -1  -29 42 o 11.445  3.4490  14.053    19.045    1.6938    26.541    27.171    27.343    10.104  4.5723  12.787  5.1649  -2.682804      6.897984 
1 1 1 -1  -28 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -28 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -28 3  o 77.813  2.2197  823.982   46.252    848.108   66.083    800.815   64.756    78.934  3.1256  76.691  3.1525  2.243019       4.439321 
1 1 1 -1  -28 4  o 17.420  2.7086  44.529    12.759    22.403    18.271    65.591    17.826    13.098  4.4051  21.742  3.1530  -8.644153      5.417200 
1 1 1 -1  -28 5  o 13.430  2.8537  25.036    11.062    24.931    16.474    25.122    14.928    13.456  4.1541  13.403  3.9139  0.5322170E-01  5.707418 
1 1 1 -1  -28 6  o 10.280  2.7127  11.156    9.9766    10.670    15.121    11.530    13.276    10.381  3.9423  10.180  3.7274  0.2015028      5.425444 
1 1 1 -1  -28 7  o 58.649  2.0288  467.776   31.733    434.664   45.106    500.224   44.652    56.520  2.9901  60.777  2.7429  -4.256939      4.057633 
1 1 1 -1  -28 8  o 46.259  2.0100  290.873   24.729    317.065   35.458    266.069   34.506    48.315  2.7513  44.203  2.9310  4.112099       4.020066 
1 1 1 -1  -28 9  o 59.666  2.0379  482.455   32.566    485.366   46.334    479.613   45.782    59.841  2.8907  59.490  2.8732  0.3514481      4.075709 
1 1 1 -1  -28 10 o 92.438  2.3425  1162.15   57.988    1192.69   82.565    1132.43   81.461    93.645  3.2917  91.231  3.3336  2.414398       4.684921 
1 1 1 -1  -28 11 o 32.189  2.1349  141.758   18.191    142.441   25.616    141.064   25.836    32.273  2.9976  32.105  3.0407  0.1674538      4.269882 
1 1 1 -1  -28 12 o 28.008  2.3103  108.511   16.864    122.420   23.830    94.555    23.870    29.893  3.0175  26.123  3.4994  3.770361       4.620678 
1 1 1 -1  -28 13 o 70.307  2.1057  670.453   39.652    664.186   55.863    676.817   56.293    69.975  2.9805  70.639  2.9752  -0.6638336     4.211334 
1 1 1 -1  -28 14 o 78.451  2.2022  836.326   46.248    864.868   65.225    807.470   65.584    79.820  3.0508  77.082  3.1766  2.737656       4.404326 
1 1 1 -1  -28 15 o 103.444 2.4798  1459.28   68.708    1465.15   97.094    1453.39   97.242    103.658 3.4970  103.231 3.5169  0.4271088      4.959599 
1 1 1 -1  -28 16 o 121.321 2.7493  2016.57   89.325    2060.34   126.301   1972.78   126.348   122.669 3.8440  119.973 3.9318  2.695366       5.498696 
1 1 1 -1  -28 17 o 36.332  2.1192  180.845   20.378    193.473   28.585    167.793   29.060    37.667  2.8544  34.997  3.1332  2.669937       4.238482 
1 1 1 -1  -28 18 o 20.706  2.7598  62.063    14.582    38.595    20.497    86.111    20.749    16.446  4.5155  24.967  3.1745  -8.520657      5.519682 
1 1 1 -1  -28 19 o 27.178  2.5464  104.487   17.206    69.568    23.899    142.056   24.790    22.137  4.1840  32.220  2.9037  -10.08295      5.092854 
1 1 1 -1  -28 20 o 27.230  2.3852  103.044   16.912    114.515   23.873    91.488    23.962    28.837  3.1417  25.623  3.5899  3.213562       4.770489 
1 1 1 -1  -28 21 f 49.968  2.0178  340.247   26.870    322.002   37.687    359.110   38.321    48.584  2.9094  51.351  2.7966  -2.766876      4.035585 
1 1 1 -1  -28 22 o 39.300  2.0801  211.294   21.719    200.697   30.495    222.204   30.940    38.278  2.9983  40.321  2.8839  -2.042725      4.160120 
1 1 1 -1  -28 23 o 48.943  2.0380  327.119   26.590    315.765   37.376    338.753   37.835    48.069  2.9167  49.817  2.8473  -1.747860      4.076059 
1 1 1 -1  -28 24 f 45.420  2.0192  282.316   24.414    269.434   34.658    295.004   34.397    44.362  2.9334  46.479  2.7756  -2.117619      4.038441 
1 1 1 -1  -28 25 o 12.188  3.1471  17.440    13.374    16.154    19.488    18.584    18.387    12.056  4.4975  12.319  4.4034  -0.2621975     6.294250 
1 1 1 -1  -28 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -28 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -28 28 f 11.678  3.1627  14.214    13.835    12.275    20.510    15.833    18.741    11.540  4.5348  11.816  4.4099  -0.2755194     6.325460 
1 1 1 -1  -28 29 o 35.734  2.2924  178.712   21.585    164.164   31.103    192.228   29.980    34.228  3.4391  37.239  3.0321  -3.010693      4.584829 
1 1 1 -1  -28 30 f 40.717  2.1775  230.489   23.536    230.670   34.210    230.327   32.431    40.691  3.1637  40.743  2.9927  -0.5194092E-01 4.354937 
1 1 1 -1  -28 31 o 28.308  2.5491  113.101   18.794    127.495   28.203    101.604   25.206    29.941  3.5882  26.674  3.6216  3.267139       5.098145 
1 1 1 -1  -28 32 o 14.517  2.7680  19.159    14.842    65.712    22.365    -17.4829  19.842    21.106  4.1040  7.9283  3.7153  13.17731       5.535902 
1 1 1 -1  -28 33 o 23.674  2.9375  82.904    17.933    85.929    26.014    80.165    24.755    24.077  4.1859  23.271  4.1225  0.8059483      5.875066 
1 1 1 -1  -28 34 o 16.070  3.2656  38.066    16.796    11.710    23.934    63.643    23.577    11.710  4.7939  20.430  4.4357  -8.720010      6.531248 
1 1 1 -1  -28 35 o 19.743  3.3819  61.363    17.707    64.622    25.067    58.116    25.016    20.324  4.6986  19.161  4.8653  1.162821       6.763708 
1 1 1 -1  -28 36 o 19.925  3.2392  63.560    18.227    99.055    26.054    29.536    25.508    25.710  3.9063  14.139  5.1683  11.57163       6.478422 
1 1 1 -1  -28 37 o 30.919  2.7154  143.934   21.749    124.161   30.857    163.454   30.659    28.496  4.1658  33.343  3.4844  -4.846779      5.430877 
1 1 1 -1  -28 38 o 22.961  3.3956  85.664    20.237    98.888    28.796    72.759    28.446    25.045  4.4561  20.877  5.1249  4.167828       6.791232 
1 1 1 -1  -28 39 o 19.719  3.7065  66.387    19.964    73.874    28.825    59.485    27.676    20.867  5.1812  18.572  5.3016  2.294498       7.412978 
1 1 1 -1  -28 40 o 20.887  4.4891  89.466    27.086    94.629    30.158    67.926    61.600    23.884  4.8791  17.891  7.5367  5.992376       8.978152 
1 1 1 -1  -28 41 o 17.521  5.6411  56.760    30.081    0.0000    0.0000    56.760    30.081    ?       ?       17.521  5.6411  ?              ?        
1 1 1 -1  -28 42 o 14.898  3.6806  38.712    19.118    55.951    27.140    21.733    26.935    17.396  5.3255  12.399  5.0819  4.997110       7.361150 
1 1 1 -1  -28 43 o 22.794  3.8144  97.760    22.925    98.239    32.516    97.287    32.328    22.845  5.3993  22.742  5.3896  0.1034966      7.628867 
1 1 1 -1  -28 44 o 10.768  3.2915  7.8930    19.177    30.779    25.979    -19.5078  28.426    12.835  5.0845  8.7018  4.1815  4.132806       6.583064 
1 1 1 -1  -27 1  o 12.199  2.7265  19.884    10.032    23.789    14.546    16.342    13.855    13.082  3.8757  11.316  3.8359  1.766347       5.453025 
1 1 1 -1  -27 2  o 40.688  1.9732  225.145   21.373    225.386   30.450    224.911   30.006    40.705  2.8100  40.671  2.7710  0.3448868E-01  3.946448 
1 1 1 -1  -27 3  o 76.189  2.1643  787.630   44.144    768.295   62.913    806.381   61.954    75.249  3.1214  77.130  2.9989  -1.881126      4.328601 
1 1 1 -1  -27 4  o 24.284  2.1765  81.045    13.807    88.209    19.938    74.443    19.139    25.346  2.9947  23.221  3.1592  2.125120       4.353067 
1 1 1 -1  -27 5  o 9.6725  2.5942  7.2608    9.5005    15.769    14.497    0.8567    12.578    11.300  3.9208  8.0448  3.3981  3.255377       5.188416 
1 1 1 -1  -27 6  o 80.807  2.2005  885.019   47.620    887.920   67.958    882.219   66.749    80.929  3.1351  80.684  3.0886  0.2458344      4.400950 
1 1 1 -1  -27 7  o 15.665  2.7281  34.297    11.416    42.006    16.949    27.895    15.445    17.236  3.7758  14.095  3.9387  3.140316       5.456209 
1 1 1 -1  -27 8  o 40.614  1.9831  224.051   21.435    223.121   30.624    224.944   30.014    40.524  2.8393  40.704  2.7694  -0.1799088     3.966260 
1 1 1 -1  -27 9  o 85.590  2.2594  993.125   51.789    983.499   73.615    1002.56   72.872    85.169  3.2270  86.011  3.1632  -0.8418198     4.518729 
1 1 1 -1  -27 10 o 91.151  2.3161  1126.69   56.536    1157.29   80.377    1096.72   79.539    92.385  3.2482  89.917  3.3026  2.468559       4.632211 
1 1 1 -1  -27 11 o 66.177  2.0599  592.352   36.512    589.265   51.540    595.462   51.730    66.003  2.9154  66.351  2.9108  -0.3471375     4.119721 
1 1 1 -1  -27 12 f 118.789 2.6779  1921.80   85.183    1974.56   120.732   1869.50   120.203   120.435 3.7427  117.142 3.8310  3.293060       5.355772 
1 1 1 -1  -27 13 o 84.045  2.2219  957.466   49.993    989.084   70.538    925.555   70.865    85.459  3.0816  82.632  3.2018  2.826630       4.443839 
1 1 1 -1  -27 14 o 103.749 2.4532  1462.49   68.165    1485.37   96.369    1439.58   96.430    104.574 3.4405  102.925 3.4978  1.648796       4.906345 
1 1 1 -1  -27 15 o 100.594 2.4109  1374.54   64.955    1381.31   91.556    1367.67   92.168    100.852 3.3893  100.337 3.4295  0.5155487      4.821712 
1 1 1 -1  -27 16 o 87.710  2.2510  1043.27   52.878    1024.18   74.440    1062.72   75.125    86.895  3.1984  88.525  3.1683  -1.630043      4.501978 
1 1 1 -1  -27 17 o 96.773  2.3483  1272.24   60.858    1287.89   85.674    1256.31   86.464    97.388  3.2844  96.157  3.3571  1.231201       4.696517 
1 1 1 -1  -27 18 o 28.414  2.2520  111.556   16.665    127.472   23.509    95.479    23.628    30.546  2.9085  26.281  3.4390  4.264360       4.503960 
1 1 1 -1  -27 19 o 55.309  1.9904  416.753   29.241    463.042   41.071    369.170   41.641    58.522  2.6201  52.096  2.9969  6.426231       3.980733 
1 1 1 -1  -27 20 o 53.775  1.9654  392.476   28.227    406.404   39.637    378.144   40.208    54.798  2.7005  52.752  2.8563  2.046532       3.930849 
1 1 1 -1  -27 21 o 62.975  2.0259  537.963   34.156    551.574   48.047    524.056   48.566    63.795  2.8118  62.155  2.9172  1.639870       4.051740 
1 1 1 -1  -27 22 o 69.013  2.0740  646.812   38.322    664.450   54.028    628.954   54.365    69.976  2.8826  68.050  2.9826  1.926094       4.147939 
1 1 1 -1  -27 23 o 61.215  2.0161  508.712   33.053    516.225   46.701    501.171   46.787    61.675  2.8270  60.755  2.8751  0.9197121      4.032137 
1 1 1 -1  -27 24 o 32.761  2.1635  147.533   18.713    159.050   26.473    136.031   26.456    34.084  2.9281  31.437  3.1859  2.647045       4.327092 
1 1 1 -1  -27 25 o 44.259  2.0339  267.572   23.948    250.669   33.685    284.846   34.052    42.816  2.9553  45.702  2.7952  -2.885921      4.067847 
1 1 1 -1  -27 26 f 28.828  2.3462  114.802   17.757    121.985   25.998    108.521   24.310    29.678  3.3279  27.978  3.3080  1.700180       4.692348 
1 1 1 -1  -27 27 o 48.737  2.0288  324.782   26.280    359.771   37.694    291.691   36.658    51.339  2.7512  46.134  2.9825  5.204880       4.057657 
1 1 1 -1  -27 28 o 33.013  2.3090  151.173   20.096    147.736   29.258    154.242   27.649    32.609  3.3998  33.417  3.1253  -0.8085289     4.618064 
1 1 1 -1  -27 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -27 30 o 28.323  3.1016  112.766   21.437    123.666   37.827    107.609   26.018    29.014  5.0510  27.633  3.6008  1.381121       6.203113 
1 1 1 -1  -27 31 o 38.034  2.2199  200.494   22.378    215.416   32.561    187.137   30.807    39.392  3.1114  36.676  3.1670  2.715508       4.439702 
1 1 1 -1  -27 32 o 40.158  2.2433  225.617   23.844    209.914   34.229    240.421   33.235    38.706  3.3342  41.610  3.0022  -2.903919      4.486654 
1 1 1 -1  -27 33 f 26.327  2.7669  100.527   18.826    91.369    26.861    109.369   26.394    25.005  4.1565  27.649  3.6534  -2.644567      5.533894 
1 1 1 -1  -27 34 o 23.858  2.9990  84.639    18.387    74.696    26.212    94.271    25.800    22.279  4.5464  25.436  3.9122  -3.156443      5.997902 
1 1 1 -1  -27 35 o 17.177  3.2192  44.155    16.551    70.810    23.752    18.997    23.076    21.733  4.2326  12.621  4.8516  9.111492       6.438355 
1 1 1 -1  -27 36 o 31.010  2.5542  139.848   20.715    155.530   29.689    124.969   28.918    32.841  3.4255  29.179  3.7896  3.662582       5.108326 
1 1 1 -1  -27 37 o 15.111  3.5734  35.363    17.264    27.271    24.345    43.549    24.485    13.756  5.0458  16.467  5.0611  -2.711558      7.146712 
1 1 1 -1  -27 38 o 9.2891  2.9964  -9.1278   16.559    -2.3735   24.173    -15.0996  22.729    9.9783  4.4513  8.6000  4.0125  1.378299       5.992885 
1 1 1 -1  -27 39 o 15.285  3.6375  38.039    17.701    32.487    24.538    44.063    25.560    14.335  5.0908  16.235  5.1971  -1.899550      7.275091 
1 1 1 -1  -27 40 o 12.247  3.4863  18.406    17.593    22.121    25.130    14.834    24.638    12.740  5.0153  11.754  4.8439  0.9853601      6.972522 
1 1 1 -1  -27 41 o 23.391  3.5274  92.567    21.603    68.306    30.271    117.746   30.838    19.587  5.5285  27.194  4.3826  -7.607044      7.054874 
1 1 1 -1  -27 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -27 43 o 7.0199  2.4447  -40.3256  16.491    -27.1667  22.236    -56.4108  24.584    7.4387  3.6047  6.6011  3.3033  0.8375759      4.889375 
1 1 1 -1  -27 44 o 14.976  3.8571  43.805    20.439    52.771    28.531    34.352    29.295    16.280  5.5046  13.671  5.4045  2.608603       7.714238 
1 1 1 -1  -26 1  o 54.170  1.9808  397.760   28.638    394.945   40.746    400.509   40.260    53.974  2.8283  54.366  2.7740  -0.3921356     3.961587 
1 1 1 -1  -26 2  o 36.930  2.0112  187.429   19.382    149.100   27.426    225.670   27.394    33.036  3.1371  40.824  2.5175  -7.788857      4.022340 
1 1 1 -1  -26 3  o 68.423  2.0795  633.542   38.077    608.270   54.169    658.226   53.534    67.056  3.0159  69.790  2.8638  -2.733543      4.158996 
1 1 1 -1  -26 4  o 19.589  2.4698  53.646    12.471    50.616    17.765    56.590    17.511    19.004  3.6223  20.175  3.3585  -1.171494      4.939683 
1 1 1 -1  -26 5  o 89.750  2.3185  1090.55   55.732    1097.78   79.367    1083.52   78.280    90.039  3.2909  89.460  3.2669  0.5794220      4.637077 
1 1 1 -1  -26 6  o 97.155  2.3953  1278.55   62.321    1271.81   88.843    1285.08   87.445    96.891  3.4233  97.418  3.3512  -0.5274048     4.790627 
1 1 1 -1  -26 7  o 43.382  1.9142  254.840   22.124    250.966   31.514    258.605   31.067    43.048  2.7475  43.715  2.6660  -0.6666336     3.828327 
1 1 1 -1  -26 8  o 63.111  2.0046  537.344   33.884    546.776   48.189    528.121   47.653    63.660  2.8262  62.562  2.8437  1.098320       4.009234 
1 1 1 -1  -26 9  o 34.596  2.0186  162.663   18.516    153.615   26.154    171.754   26.216    33.611  2.9345  35.582  2.7727  -1.970425      4.037233 
1 1 1 -1  -26 10 o 68.683  2.0335  636.468   37.410    634.361   52.965    638.565   52.847    68.568  2.8839  68.798  2.8678  -0.2296371     4.067092 
1 1 1 -1  -26 11 o 85.504  2.2231  987.827   50.905    1009.52   72.037    966.194   71.943    86.449  3.1111  84.558  3.1764  1.890640       4.446173 
1 1 1 -1  -26 12 o 77.280  2.1085  806.409   43.629    827.529   61.549    785.081   61.854    78.307  2.9345  76.253  3.0284  2.053726       4.216939 
1 1 1 -1  -26 13 o 131.992 2.8476  2367.28   100.673   2380.38   142.440   2354.22   142.307   132.361 4.0177  131.623 4.0365  0.7381287      5.695223 
1 1 1 -1  -26 14 o 65.871  2.0251  585.805   35.706    605.338   50.251    565.886   50.744    66.991  2.8005  64.750  2.9259  2.240898       4.050130 
1 1 1 -1  -26 15 f 36.983  1.9872  185.439   19.530    180.644   27.174    190.563   28.089    36.488  2.8018  37.479  2.8187  -0.9909477     3.974351 
1 1 1 -1  -26 16 o 53.635  1.9455  388.947   27.851    380.206   39.007    398.038   39.779    53.018  2.7563  54.252  2.7464  -1.234165      3.891029 
1 1 1 -1  -26 17 f 90.220  2.2470  1101.64   54.274    1131.63   76.387    1071.06   77.129    91.478  3.1176  88.962  3.2369  2.515396       4.494035 
1 1 1 -1  -26 18 o 32.330  2.0589  142.375   17.630    143.757   24.647    140.928   25.229    32.501  2.8604  32.159  2.9623  0.3425102      4.117863 
1 1 1 -1  -26 19 o 38.020  1.9805  196.320   20.008    196.770   27.725    195.832   28.905    38.078  2.7366  37.963  2.8637  0.1149406      3.961039 
1 1 1 -1  -26 20 o 28.334  2.1818  109.984   16.234    99.544    22.713    120.887   23.211    26.917  3.2138  29.751  2.9517  -2.834097      4.363650 
1 1 1 -1  -26 21 o 91.898  2.2997  1145.93   56.603    1151.28   79.774    1140.50   80.325    92.121  3.2331  91.675  3.2712  0.4463806      4.599307 
1 1 1 -1  -26 22 o 22.066  2.6284  70.588    14.518    48.019    21.018    91.180    20.077    18.351  4.3435  25.780  2.9612  -7.429064      5.256900 
1 1 1 -1  -26 23 f 34.336  2.0463  161.416   18.518    181.979   26.243    141.025   26.133    36.578  2.6976  32.094  3.0777  4.483425       4.092629 
1 1 1 -1  -26 24 o 59.016  1.9726  472.125   31.166    457.128   44.189    486.969   43.963    58.070  2.8410  59.961  2.7373  -1.891373      3.945175 
1 1 1 -1  -26 25 o 58.385  1.9952  462.358   31.190    479.395   44.379    445.729   43.844    59.457  2.7867  57.314  2.8560  2.143612       3.990314 
1 1 1 -1  -26 26 o 41.969  2.0499  240.775   22.860    227.766   32.592    253.373   32.072    40.818  3.0022  43.120  2.7919  -2.302288      4.099716 
1 1 1 -1  -26 27 o 77.556  2.1798  819.556   45.272    842.007   64.513    797.772   63.548    78.611  3.0639  76.502  3.1013  2.108841       4.359515 
1 1 1 -1  -26 28 o 46.745  2.0644  300.014   25.592    273.156   36.712    325.404   35.695    44.637  3.0896  48.853  2.7389  -4.216576      4.128851 
1 1 1 -1  -26 29 o 12.908  2.5770  8.4743    12.991    52.019    19.743    -24.7709  17.251    19.048  3.9972  6.7679  3.2535  12.28002       5.153927 
1 1 1 -1  -26 30 o 10.165  2.9674  2.4228    13.827    -10.5749  20.165    13.957    18.996    8.7364  3.9662  11.594  4.4149  -2.857999      5.934827 
1 1 1 -1  -26 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -26 32 o 17.620  3.0072  46.492    16.267    9.0845    23.911    78.721    22.194    11.696  4.7903  23.543  3.6367  -11.84718      6.014383 
1 1 1 -1  -26 33 o 17.699  3.2316  46.749    16.210    27.396    23.141    65.397    22.715    14.221  4.9524  21.177  4.1529  -6.956280      6.463197 
1 1 1 -1  -26 34 o 27.698  2.6381  109.776   19.072    109.873   26.781    109.677   27.166    27.726  3.6984  27.671  3.7630  0.5521011E-01  5.276199 
1 1 1 -1  -26 35 o 45.215  2.2308  286.941   26.826    277.615   38.169    296.046   37.712    44.437  3.2289  45.993  3.0790  -1.555420      4.461631 
1 1 1 -1  -26 36 o 27.599  2.8516  112.204   20.118    135.997   28.890    89.805    28.031    30.746  3.5749  24.451  4.4437  6.294489       5.703131 
1 1 1 -1  -26 37 o 29.156  2.7267  124.883   20.764    129.038   29.611    120.863   29.124    29.666  3.8150  28.647  3.8967  1.018585       5.453304 
1 1 1 -1  -26 38 f 12.781  3.4739  20.911    16.770    23.890    23.814    17.981    23.619    13.218  4.9636  12.345  4.8615  0.8721647      6.947806 
1 1 1 -1  -26 39 o 11.639  3.2923  14.107    15.842    6.0100    22.318    22.330    22.491    10.530  4.4902  12.749  4.8160  -2.218925      6.584515 
1 1 1 -1  -26 40 o 9.5039  3.0146  -6.6594   16.570    -22.3965  24.203    7.2230    22.733    8.3487  3.9694  10.659  4.5382  -2.310332      6.029235 
1 1 1 -1  -26 41 o 20.620  3.6990  72.725    20.509    67.120    29.095    78.260    28.914    19.676  5.3706  21.565  5.0880  -1.889555      7.397991 
1 1 1 -1  -26 42 o 20.559  3.7022  74.139    21.597    46.217    30.358    102.750   30.730    16.118  5.6691  25.000  4.7630  -8.882301      7.404380 
1 1 1 -1  -26 43 o 18.395  6.0879  66.108    34.920    0.0000    0.0000    66.108    34.920    ?       ?       18.395  6.0879  ?              ?        
1 1 1 -1  -26 44 o 11.293  3.4608  9.5920    19.506    -1.3567   26.319    22.934    29.054    9.9703  4.5283  12.616  5.2349  -2.645553      6.921622 
1 1 1 -1  -26 45 o 27.302  3.8231  145.986   27.108    198.311   37.823    90.721    38.872    34.548  4.1719  20.057  6.4078  14.49016       7.646256 
1 1 1 -1  -25 1  o 120.797 2.6900  1980.90   87.018    2036.20   123.753   1926.82   122.381   122.478 3.7723  119.116 3.8358  3.362091       5.379950 
1 1 1 -1  -25 2  o 23.519  2.2030  75.953    13.531    78.580    19.355    73.442    18.924    23.927  3.0925  23.110  3.1383  0.8171158      4.405915 
1 1 1 -1  -25 3  o 99.356  2.4114  1335.18   64.162    1322.82   91.347    1347.22   90.143    98.892  3.4486  99.821  3.3715  -0.9295273     4.822863 
1 1 1 -1  -25 4  o 51.835  1.9200  362.801   26.571    344.590   37.689    380.796   37.465    50.492  2.7977  53.177  2.6303  -2.685246      3.840027 
1 1 1 -1  -25 5  o 93.583  2.3124  1182.60   57.948    1165.10   82.464    1199.66   81.448    92.889  3.3144  94.277  3.2254  -1.387779      4.624820 
1 1 1 -1  -25 6  o 103.638 2.4358  1450.53   67.610    1468.03   96.255    1433.47   94.989    104.254 3.4470  103.021 3.4424  1.233276       4.871515 
1 1 1 -1  -25 7  o 56.778  1.9619  434.670   29.752    459.665   42.294    410.182   41.862    58.439  2.7020  55.117  2.8453  3.322178       3.923850 
1 1 1 -1  -25 8  o 118.415 2.6337  1895.15   83.504    1963.00   118.739   1828.75   117.456   120.526 3.6781  116.305 3.7704  4.220909       5.267303 
1 1 1 -1  -25 9  f 60.113  1.9774  486.413   31.835    477.753   44.944    495.133   45.100    59.573  2.8166  60.652  2.7762  -1.078373      3.954810 
1 1 1 -1  -25 10 o 71.378  2.0554  686.024   39.295    680.003   55.552    692.053   55.591    71.063  2.9186  71.693  2.8949  -0.6300125     4.110812 
1 1 1 -1  -25 11 o 38.620  1.9764  201.816   20.295    203.230   28.318    200.324   29.102    38.766  2.7450  38.473  2.8442  0.2933998      3.952802 
1 1 1 -1  -25 12 o 24.811  2.3616  84.977    15.167    95.232    21.289    74.408    21.612    26.413  3.0663  23.210  3.5925  3.202711       4.723123 
1 1 1 -1  -25 13 o 78.623  2.0973  832.531   44.165    825.321   62.203    839.862   62.719    78.280  2.9667  78.967  2.9653  -0.6867981     4.194519 
1 1 1 -1  -25 14 o 84.296  2.1710  957.599   49.013    959.741   68.861    955.401   69.777    84.396  3.0462  84.197  3.0941  0.1991577      4.341984 
1 1 1 -1  -25 15 o 73.623  2.0566  731.050   40.499    766.344   56.859    694.707   57.699    75.443  2.8138  71.804  3.0001  3.638885       4.113130 
1 1 1 -1  -25 16 o 18.419  2.7879  48.248    13.414    61.035    18.859    35.155    19.084    20.987  3.4766  15.850  4.3591  5.137682       5.575727 
1 1 1 -1  -25 17 o 52.059  1.8888  365.155   26.246    338.992   36.628    392.765   37.627    50.099  2.7400  54.020  2.6005  -3.921135      3.777535 
1 1 1 -1  -25 18 o 91.500  2.2483  1130.00   55.100    1118.34   77.532    1141.89   78.319    91.024  3.1801  91.977  3.1791  -0.9534836     4.496592 
1 1 1 -1  -25 19 o 23.820  2.3511  78.237    14.562    80.514    20.190    75.769    21.022    24.213  3.1908  23.426  3.4540  0.7870941      4.702246 
1 1 1 -1  -25 20 o 50.108  1.9137  339.612   25.548    316.474   35.963    363.185   36.300    48.365  2.7879  51.852  2.6222  -3.486267      3.827314 
1 1 1 -1  -25 21 f 57.186  1.9491  441.099   29.849    429.653   41.940    452.847   42.491    56.432  2.7747  57.941  2.7379  -1.508789      3.898132 
1 1 1 -1  -25 22 o 47.806  1.9027  309.342   24.264    308.345   34.207    310.352   34.423    47.729  2.6867  47.883  2.6949  -0.1540794     3.805333 
1 1 1 -1  -25 23 o 27.587  2.1874  105.069   15.591    126.767   22.214    84.006    21.887    30.515  2.7474  24.660  3.4045  5.855011       4.374752 
1 1 1 -1  -25 24 o 38.090  1.9667  197.335   19.909    191.330   28.420    203.122   27.900    37.503  2.8505  38.676  2.7103  -1.172874      3.933350 
1 1 1 -1  -25 25 o 32.526  2.1307  146.053   17.667    193.801   25.596    102.601   24.417    37.792  2.5434  27.260  3.4193  10.53147       4.261499 
1 1 1 -1  -25 26 o 29.250  2.1636  117.376   16.684    117.442   24.123    117.314   23.100    29.243  3.1283  29.258  2.9897  -0.1495552E-01 4.327167 
1 1 1 -1  -25 27 o 40.054  2.0439  218.920   21.754    216.708   31.447    220.949   30.125    39.839  2.9683  40.268  2.8107  -0.4293404     4.087877 
1 1 1 -1  -25 28 o 80.093  2.1998  873.696   47.183    866.006   67.147    881.197   66.316    79.731  3.1442  80.455  3.0773  -0.7249222     4.399547 
1 1 1 -1  -25 29 o 44.751  2.0314  273.801   24.167    266.981   35.068    279.969   33.352    44.185  2.9805  45.317  2.7609  -1.132107      4.062758 
1 1 1 -1  -25 30 o 20.777  2.9572  62.053    15.815    59.464    23.526    64.188    21.363    20.296  4.4502  21.257  3.8955  -0.9615421     5.914319 
1 1 1 -1  -25 31 o 63.539  2.1002  551.924   35.713    536.977   51.072    566.225   49.957    62.666  3.0427  64.412  2.8956  -1.746605      4.200328 
1 1 1 -1  -25 32 o 102.245 2.5777  1447.65   70.562    1410.96   100.282   1483.62   99.306    100.902 3.7105  103.589 3.5791  -2.686531      5.155363 
1 1 1 -1  -25 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -25 34 o 47.023  2.2196  308.511   27.593    273.516   39.532    341.755   38.531    44.280  3.3582  49.765  2.9032  -5.485680      4.439148 
1 1 1 -1  -25 35 o 19.241  3.3832  56.147    17.469    47.601    25.458    63.752    24.016    17.751  5.0904  20.730  4.4577  -2.979378      6.766307 
1 1 1 -1  -25 36 o 13.488  3.4130  22.460    16.360    9.4209    22.900    36.051    23.381    11.398  4.6803  15.578  4.9689  -4.180119      6.826062 
1 1 1 -1  -25 37 o 40.108  2.3916  228.949   25.417    222.408   36.504    235.104   35.412    39.475  3.4884  40.741  3.2727  -1.266376      4.783267 
1 1 1 -1  -25 38 o 17.309  3.4396  46.582    18.005    69.046    25.234    23.285    25.698    21.176  4.5821  13.442  5.1310  7.734257       6.879139 
1 1 1 -1  -25 39 o 19.545  3.1237  60.598    18.771    12.184    26.595    108.657   26.497    11.995  4.9954  27.095  3.7518  -15.09997      6.247387 
1 1 1 -1  -25 40 o 13.587  3.5805  26.865    17.458    27.070    24.541    26.656    24.841    13.608  5.0528  13.566  5.0744  0.4269409E-01  7.161011 
1 1 1 -1  -25 41 o 6.8508  2.3799  -37.3943  14.791    -44.9007  19.804    -27.9259  22.242    6.1299  3.0513  7.5717  3.6531  -1.441743      4.759808 
1 1 1 -1  -25 42 o 37.127  2.8421  212.068   27.717    194.870   38.978    229.661   39.422    35.387  4.1939  38.867  3.8369  -3.479973      5.684263 
1 1 1 -1  -25 43 o 16.142  4.7113  32.250    24.611    21.694    26.641    93.697    64.277    12.675  5.1056  19.610  7.9195  -6.934982      9.422607 
1 1 1 -1  -25 44 f 9.9607  3.2480  -7.0828   20.067    -7.1159   27.166    -7.0430   29.771    9.7592  4.4951  10.162  4.6896  -0.4029207     6.496044 
1 1 1 -1  -25 45 o 11.424  3.4686  11.188    20.136    26.846    26.998    -8.4382   30.227    12.896  5.1591  9.9507  4.6376  2.945750       6.937139 
1 1 1 -1  -25 46 o 27.077  3.7809  139.498   26.398    169.247   37.720    110.942   36.957    30.981  4.6925  23.173  5.9296  7.807722       7.561730 
1 1 1 -1  -24 1  o 75.348  2.1025  765.024   42.424    763.011   60.537    766.967   59.471    75.246  3.0036  75.450  2.9428  -0.2042465     4.204962 
1 1 1 -1  -24 2  o 134.096 2.8939  2433.67   103.924   2499.05   147.788   2369.70   146.167   135.889 4.0604  132.303 4.1247  3.585464       5.787879 
1 1 1 -1  -24 3  f 35.588  1.9444  171.422   18.386    168.791   26.141    173.997   25.866    35.311  2.7865  35.865  2.7126  -0.5538063     3.888791 
1 1 1 -1  -24 4  o 175.403 3.5524  4178.09   166.889   4219.95   236.946   4136.88   235.100   176.277 5.0184  174.528 5.0292  1.748749       7.104715 
1 1 1 -1  -24 5  o 71.464  2.0971  687.206   40.103    727.351   57.071    648.050   56.364    73.533  2.8976  69.394  3.0324  4.138802       4.194256 
1 1 1 -1  -24 6  o 161.283 3.3418  3522.60   144.354   3581.87   205.002   3464.32   203.302   162.636 4.7060  159.930 4.7459  2.705994       6.683594 
1 1 1 -1  -24 7  o 63.190  1.9867  536.920   33.618    528.491   47.775    545.188   47.315    62.696  2.8449  63.685  2.7738  -0.9888649     3.973340 
1 1 1 -1  -24 8  o 84.562  2.5702  946.076   56.110    1028.40   94.360    901.041   69.789    87.296  4.0356  81.829  3.1841  5.466545       5.140493 
1 1 1 -1  -24 9  o 68.759  2.0493  635.877   37.722    659.129   53.304    612.548   53.391    70.024  2.8420  67.494  2.9533  2.529694       4.098683 
1 1 1 -1  -24 10 o 151.513 3.1480  3102.47   127.726   3183.07   180.940   3022.40   180.325   153.490 4.4011  149.536 4.5022  3.954453       6.295989 
1 1 1 -1  -24 11 o 48.662  1.9679  318.846   25.459    285.413   35.308    355.051   36.743    45.988  2.8810  51.336  2.6815  -5.347458      3.935804 
1 1 1 -1  -24 12 o 51.308  1.9701  354.638   26.960    340.347   37.675    369.637   38.596    50.243  2.8108  52.372  2.7612  -2.129482      3.940127 
1 1 1 -1  -24 13 o 174.913 3.4959  4144.33   163.749   4041.73   231.253   4247.51   231.902   172.719 4.9987  177.106 4.8886  -4.386673      6.991787 
1 1 1 -1  -24 14 o 110.766 2.5085  1653.05   74.419    1661.20   104.837   1644.78   105.655   111.045 3.5248  110.486 3.5702  0.5584869      5.016986 
1 1 1 -1  -24 15 o 33.478  2.0709  151.995   18.359    154.658   25.478    149.118   26.478    33.797  2.8408  33.159  3.0141  0.6379967      4.141896 
1 1 1 -1  -24 16 o 107.574 2.4623  1559.40   70.946    1553.91   99.834    1564.99   100.840   107.385 3.4709  107.763 3.4936  -0.3777847     4.924688 
1 1 1 -1  -24 17 o 98.288  2.3374  1301.47   61.529    1307.71   86.580    1295.11   87.455    98.530  3.2807  98.045  3.3302  0.4845123      4.674719 
1 1 1 -1  -24 18 o 168.271 3.4295  3843.53   154.555   3899.29   218.262   3787.46   218.888   169.515 4.8071  167.027 4.8927  2.487762       6.859042 
1 1 1 -1  -24 19 o 103.324 2.4082  1439.82   66.643    1419.74   93.846    1460.26   94.656    102.595 3.4151  104.053 3.3963  -1.457817      4.816350 
1 1 1 -1  -24 20 o 59.456  1.9426  475.673   30.917    452.596   43.350    499.562   44.106    57.984  2.7912  60.928  2.7027  -2.944042      3.885248 
1 1 1 -1  -24 21 o 60.585  1.9383  494.255   31.449    482.511   44.367    506.116   44.587    59.859  2.7672  61.312  2.7150  -1.453026      3.876685 
1 1 1 -1  -24 22 o 23.435  2.3521  75.951    14.240    66.111    20.134    85.802    20.144    21.834  3.5659  25.035  3.0682  -3.201385      4.704227 
1 1 1 -1  -24 23 o 67.465  2.0196  613.895   36.493    616.688   51.896    611.164   51.325    67.615  2.8655  67.315  2.8466  0.3003387      4.039107 
1 1 1 -1  -24 24 o 17.911  2.8751  46.152    13.504    37.186    20.089    53.543    18.240    16.251  4.4737  19.571  3.6125  -3.319540      5.750169 
1 1 1 -1  -24 25 o 18.136  2.8167  46.277    13.293    50.797    19.527    42.373    18.147    18.972  3.9702  17.301  3.9966  1.670788       5.633437 
1 1 1 -1  -24 26 o 18.243  2.8143  49.316    13.579    29.040    20.118    66.282    18.403    14.606  4.6040  21.881  3.2379  -7.274887      5.628523 
1 1 1 -1  -24 27 o 24.599  2.5250  84.834    15.445    118.643   22.615    55.284    21.143    29.458  2.9040  19.739  4.1315  9.718830       5.050024 
1 1 1 -1  -24 28 o 43.837  1.9808  261.035   23.119    272.796   33.448    250.275   31.991    44.784  2.8025  42.889  2.8002  1.895088       3.961679 
1 1 1 -1  -24 29 o 39.436  2.0688  212.692   21.646    205.651   31.335    219.118   29.937    38.777  3.0413  40.095  2.8053  -1.317604      4.137519 
1 1 1 -1  -24 30 o 35.599  2.0984  173.346   19.763    191.975   28.489    156.064   27.439    37.481  2.8593  33.718  3.0719  3.762737       4.196729 
1 1 1 -1  -24 31 o 40.262  2.1213  222.106   22.668    222.304   33.098    221.930   31.108    40.251  3.0937  40.274  2.9033  -0.2332687E-01 4.242604 
1 1 1 -1  -24 32 o 46.392  2.1051  294.424   25.990    313.833   37.605    276.676   35.960    47.870  2.9472  44.915  3.0065  2.954338       4.210120 
1 1 1 -1  -24 33 o 33.651  2.3519  158.862   20.558    130.319   29.352    186.346   28.803    30.500  3.6665  36.802  2.9466  -6.302490      4.703789 
1 1 1 -1  -24 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -24 35 o 41.503  2.2847  239.809   25.158    234.707   36.331    244.510   34.873    41.027  3.3350  41.980  3.1237  -0.9537201     4.569450 
1 1 1 -1  -24 36 o 47.163  2.2824  311.690   28.498    279.561   40.620    342.836   39.993    44.631  3.4240  49.695  3.0189  -5.063889      4.564834 
1 1 1 -1  -24 37 o 37.295  2.5041  197.893   24.435    232.088   35.057    165.586   34.076    40.624  3.2491  33.967  3.8112  6.656818       5.008208 
1 1 1 -1  -24 38 o 27.147  3.0286  109.391   21.269    115.376   30.188    103.491   29.972    27.972  4.1556  26.322  4.4070  1.650141       6.057291 
1 1 1 -1  -24 39 o 21.712  3.3571  73.422    19.041    85.849    27.087    61.282    26.773    23.767  4.4176  19.656  5.0562  4.110523       6.714209 
1 1 1 -1  -24 40 o 10.621  3.1103  -0.9399   15.729    -20.5636  20.779    25.393    24.071    7.7962  3.6983  13.446  5.0018  -5.649537      6.220597 
1 1 1 -1  -24 41 o 47.374  2.5470  331.080   32.040    315.697   45.350    346.411   45.272    46.152  3.6997  48.595  3.5016  -2.443554      5.094035 
1 1 1 -1  -24 42 o 21.204  3.3562  77.620    21.250    127.598   29.543    24.046    30.587    28.939  3.9117  13.469  5.4548  15.46976       6.712399 
1 1 1 -1  -24 43 o 13.901  3.6698  29.840    18.792    39.601    26.293    19.649    26.867    15.284  5.2815  12.519  5.0968  2.765016       7.339685 
1 1 1 -1  -24 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -24 45 o 25.491  3.7066  115.350   24.488    136.349   34.654    94.408    34.607    28.536  4.6975  22.446  5.7350  6.089594       7.413290 
1 1 1 -1  -24 46 o 19.603  4.0288  78.043    23.886    102.131   33.274    52.429    34.311    23.344  5.4249  15.863  5.9578  7.480749       8.057585 
1 1 1 -1  -24 47 o 12.528  3.7424  26.620    21.717    16.837    29.724    37.822    31.807    11.444  5.0283  13.612  5.5441  -2.168141      7.484769 
1 1 1 -1  -23 1  o 58.500  1.9439  459.914   30.455    464.891   43.499    455.128   42.655    58.809  2.7615  58.190  2.7367  0.6189156      3.887827 
1 1 1 -1  -23 2  o 107.328 2.4945  1551.11   71.707    1575.43   102.030   1527.38   100.798   108.160 3.5219  106.496 3.5337  1.664177       4.989043 
1 1 1 -1  -23 3  o 88.609  2.2474  1055.98   53.335    1053.74   75.917    1058.15   74.945    88.513  3.2022  88.704  3.1544  -0.1907806     4.494867 
1 1 1 -1  -23 4  o 156.334 3.2800  3301.43   137.323   3249.64   194.875   3352.51   193.539   155.101 4.6909  157.567 4.5858  -2.465729      6.560009 
1 1 1 -1  -23 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 9  f 105.037 2.4329  1483.44   68.443    1460.41   96.696    1506.55   96.890    104.217 3.4640  105.856 3.4172  -1.639244      4.865856 
1 1 1 -1  -23 10 o 157.991 3.2064  3365.82   135.679   3413.98   191.919   3317.70   191.840   159.128 4.5028  156.854 4.5662  2.274796       6.412895 
1 1 1 -1  -23 11 o 155.129 3.1818  3244.92   132.185   3313.17   186.883   3176.59   186.992   156.773 4.4505  153.486 4.5485  3.287598       6.363629 
1 1 1 -1  -23 12 o 60.943  1.9606  498.490   31.994    491.328   44.576    506.098   45.947    60.493  2.7511  61.393  2.7941  -0.9000626     3.921184 
1 1 1 -1  -23 13 o 85.930  2.1715  991.959   49.974    984.219   70.096    999.960   71.265    85.590  3.0576  86.270  3.0841  -0.6793289     4.342908 
1 1 1 -1  -23 14 o 173.477 3.4476  4063.99   160.195   4056.70   226.093   4071.34   227.010   173.323 4.8702  173.632 4.8812  -0.3090973     6.895257 
1 1 1 -1  -23 15 o 81.196  2.9936  889.868   64.782    912.042   94.687    870.355   88.825    82.133  4.3193  80.259  4.1461  1.874092       5.987166 
1 1 1 -1  -23 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 19 o 30.879  5.8703  133.846   46.778    0.0000    0.0000    133.846   46.778    ?       ?       30.879  5.8703  ?              ?        
1 1 1 -1  -23 20 o 129.882 2.8179  2277.00   98.029    2252.82   138.316   2301.39   138.954   129.186 3.9973  130.577 3.9730  -1.391281      5.635863 
1 1 1 -1  -23 21 o 48.382  1.8976  315.655   24.493    312.442   34.469    318.933   34.811    48.133  2.6843  48.632  2.6828  -0.4991608     3.795147 
1 1 1 -1  -23 22 o 103.017 2.4083  1431.30   66.428    1479.09   94.186    1384.00   93.701    104.738 3.3573  101.296 3.4536  3.442497       4.816506 
1 1 1 -1  -23 23 o 98.099  2.3421  1298.20   61.510    1353.84   87.492    1243.82   86.493    100.188 3.2603  96.010  3.3634  4.178596       4.684250 
1 1 1 -1  -23 24 o 91.635  2.2579  1133.00   55.414    1145.24   79.011    1121.16   77.739    92.120  3.2022  91.150  3.1842  0.9700699      4.515819 
1 1 1 -1  -23 25 o 50.293  1.9593  341.804   26.278    346.584   37.878    337.368   36.487    50.627  2.8042  49.959  2.7372  0.6682167      3.918641 
1 1 1 -1  -23 26 o 56.198  1.9358  425.696   29.123    436.022   42.039    416.168   40.383    56.850  2.7608  55.547  2.7142  1.302593       3.871566 
1 1 1 -1  -23 27 o 28.530  2.2639  113.259   16.683    98.110    24.739    125.895   22.594    26.656  3.5534  30.403  2.8062  -3.746124      4.527797 
1 1 1 -1  -23 28 o 61.701  2.0108  515.586   33.185    501.550   47.796    528.650   46.111    60.870  2.9316  62.532  2.7531  -1.662170      4.021611 
1 1 1 -1  -23 29 o 22.604  2.6959  74.345    15.213    48.405    21.868    98.671    21.177    18.395  4.4799  26.813  3.0002  -8.417152      5.391707 
1 1 1 -1  -23 30 o 40.042  2.0562  218.366   21.882    231.471   31.614    206.312   30.319    41.206  2.8825  38.879  2.9330  2.327232       4.112379 
1 1 1 -1  -23 31 o 11.991  3.0741  15.571    13.232    5.9693    18.944    24.718    18.489    10.427  4.2663  13.555  4.4272  -3.128218      6.148256 
1 1 1 -1  -23 32 o 17.936  3.1781  46.486    15.440    35.870    21.777    57.218    21.896    15.894  4.7497  19.977  4.2240  -4.083005      6.356260 
1 1 1 -1  -23 33 o 26.774  2.6130  100.883   18.148    93.889    26.229    107.308   25.137    25.792  3.9201  27.756  3.4560  -1.963314      5.226048 
1 1 1 -1  -23 34 o 40.979  2.2321  233.066   24.126    209.378   34.883    254.785   33.403    38.871  3.3842  43.086  2.9115  -4.214893      4.464236 
1 1 1 -1  -23 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 36 o 44.612  2.3008  277.097   27.264    264.916   38.906    288.851   38.218    43.590  3.3581  45.635  3.1459  -2.044785      4.601501 
1 1 1 -1  -23 37 o 21.517  3.2914  69.374    18.456    79.690    26.001    58.897    26.203    23.301  4.3253  19.733  4.9625  3.567907       6.582890 
1 1 1 -1  -23 38 o 26.668  2.9826  105.721   20.230    84.997    29.028    125.293   28.209    23.757  4.7279  29.579  3.6372  -5.821831      5.965115 
1 1 1 -1  -23 39 o 13.206  3.0560  15.288    15.931    49.627    22.621    -18.5028  22.439    17.971  4.6603  8.4418  3.9544  9.528767       6.111948 
1 1 1 -1  -23 40 o 12.020  3.4152  14.451    16.939    19.455    23.672    9.2008    24.249    12.650  4.8997  11.389  4.7589  1.260776       6.830388 
1 1 1 -1  -23 41 o 18.950  3.7113  58.940    19.438    56.455    26.447    61.859    28.667    18.579  5.1407  19.320  5.3544  -0.7405243     7.422682 
1 1 1 -1  -23 42 o 23.083  3.6148  87.833    21.776    81.874    30.776    93.807    30.816    22.138  5.2667  24.028  4.9528  -1.890112      7.229645 
1 1 1 -1  -23 43 o 22.018  3.7363  82.304    21.815    72.483    30.201    93.019    31.545    20.466  5.4226  23.569  5.1415  -3.103197      7.472562 
1 1 1 -1  -23 44 o 11.177  3.4316  7.3168    19.121    3.1580    26.727    11.677    27.366    10.712  4.7348  11.642  4.9685  -0.9296112     6.863230 
1 1 1 -1  -23 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -23 46 o 19.525  4.0901  74.752    23.476    59.301    33.294    90.029    33.107    17.183  5.9428  21.868  5.6214  -4.684755      8.180269 
1 1 1 -1  -23 47 o 10.176  3.1732  -6.1567   19.971    27.175    25.844    -55.5568  31.463    12.628  5.0492  7.7234  3.8448  4.904918       6.346378 
1 1 1 -1  -22 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -22 2  o 147.581 6.4386  2955.65   254.514   2955.65   254.514   0.0000    0.0000    147.581 6.4386  ?       ?       ?              ?        
1 1 1 -1  -22 3  o 65.609  2.0026  577.909   35.188    574.450   50.043    581.293   49.488    65.414  2.8562  65.805  2.8077  -0.3911133     4.005145 
1 1 1 -1  -22 4  o 42.886  1.9272  249.204   21.763    294.598   31.006    205.122   30.554    46.795  2.4826  38.978  2.9484  7.817440       3.854452 
1 1 1 -1  -22 5  o 98.635  2.3818  1306.87   62.925    1313.43   89.317    1300.41   88.665    98.880  3.3724  98.390  3.3644  0.4904938      4.763634 
1 1 1 -1  -22 6  o 256.763 4.9332  8940.66   339.264   9031.25   480.561   8850.65   479.026   258.070 6.9522  255.455 7.0009  2.615631       9.866417 
1 1 1 -1  -22 7  o 66.643  1.9870  596.075   35.461    609.648   50.130    582.482   50.168    67.404  2.7766  65.882  2.8429  1.522026       3.973926 
1 1 1 -1  -22 8  o 225.407 4.3899  6870.01   265.015   6989.25   375.280   6751.40   374.297   227.374 6.1621  223.440 6.2541  3.933899       8.779808 
1 1 1 -1  -22 9  o 179.804 3.6033  4357.49   173.532   4372.58   245.514   4342.42   245.309   180.116 5.0890  179.491 5.1025  0.6252136      7.206503 
1 1 1 -1  -22 10 o 83.182  2.1494  929.298   47.862    957.126   67.321    900.858   68.058    84.446  2.9763  81.919  3.1018  2.527565       4.298783 
1 1 1 -1  -22 11 o 115.160 2.5635  1781.80   79.069    1767.85   111.418   1795.96   112.228   114.705 3.6265  115.614 3.6241  -0.9084244     5.126930 
1 1 1 -1  -22 12 o 107.561 2.4300  1553.90   70.000    1518.94   98.513    1589.55   99.483    106.337 3.4588  108.785 3.4142  -2.448044      4.860022 
1 1 1 -1  -22 13 o 136.837 2.8751  2518.46   105.369   2537.84   148.561   2498.84   149.473   137.370 4.0376  136.303 4.0942  1.067490       5.750173 
1 1 1 -1  -22 14 o 107.398 2.4116  1549.37   69.369    1536.40   97.578    1562.62   98.637    106.944 3.4065  107.852 3.4145  -0.9080124     4.823143 
1 1 1 -1  -22 15 o 135.244 2.8450  2461.22   103.026   2522.34   145.253   2399.34   146.152   136.943 3.9600  133.544 4.0859  3.399185       5.690020 
1 1 1 -1  -22 16 o 52.508  1.9071  370.987   26.719    370.966   37.208    371.010   38.394    52.511  2.6540  52.506  2.7395  0.4669189E-02  3.814266 
1 1 1 -1  -22 17 o 177.020 3.5534  4229.56   168.435   4335.74   237.929   4122.88   238.477   179.266 4.9552  174.773 5.0943  4.492477       7.106732 
1 1 1 -1  -22 18 o 56.781  1.9214  432.583   29.214    421.876   40.775    443.878   41.878    56.059  2.7155  57.502  2.7190  -1.443115      3.842800 
1 1 1 -1  -22 19 o 17.475  2.9056  42.885    13.690    58.282    19.517    27.972    19.208    20.504  3.6894  14.447  4.4897  6.056369       5.811159 
1 1 1 -1  -22 20 o 75.808  2.0624  772.140   41.877    773.383   59.142    770.891   59.304    75.870  2.9103  75.746  2.9230  0.1233902      4.124797 
1 1 1 -1  -22 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -22 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -22 23 o 100.027 2.3621  1347.53   63.273    1386.65   89.966    1309.23   89.004    101.468 3.3102  98.585  3.3706  2.883484       4.724272 
1 1 1 -1  -22 24 o 106.850 2.4888  1540.65   71.197    1503.67   101.321   1576.73   100.068   105.568 3.5832  108.131 3.4551  -2.562500      4.977648 
1 1 1 -1  -22 25 o 74.313  2.0693  743.759   41.176    744.163   58.954    743.374   57.535    74.328  2.9612  74.298  2.8911  0.2941895E-01  4.138534 
1 1 1 -1  -22 26 o 39.927  1.9909  214.916   21.108    233.665   30.992    198.695   28.827    41.554  2.8008  38.299  2.8302  3.255177       3.981786 
1 1 1 -1  -22 27 o 24.377  2.4916  81.639    15.726    86.215    23.607    77.988    21.085    24.977  3.6354  23.777  3.4082  1.199770       4.983193 
1 1 1 -1  -22 28 o 104.235 2.4861  1473.18   69.402    1487.41   99.062    1459.46   97.262    104.723 3.5316  103.747 3.5001  0.9767914      4.972243 
1 1 1 -1  -22 29 o 58.397  2.0089  461.006   31.397    462.384   45.343    459.736   43.518    58.470  2.8953  58.324  2.7857  0.1464500      4.017787 
1 1 1 -1  -22 30 o 42.836  2.0526  249.569   23.405    252.937   33.563    246.380   32.655    43.114  2.9237  42.558  2.8817  0.5553589      4.105132 
1 1 1 -1  -22 31 o 8.8910  2.7401  -2.7473   12.254    -2.9350   17.633    -2.5720   17.042    8.9487  3.9038  8.8332  3.8461  0.1154881      5.480202 
1 1 1 -1  -22 32 o 12.460  2.8991  11.958    13.787    -13.5583  19.043    40.067    19.987    8.2039  3.7731  16.717  4.4027  -8.512731      5.798285 
1 1 1 -1  -22 33 o 22.443  2.8746  71.882    16.589    65.665    23.971    77.595    22.980    21.408  4.3293  23.479  3.7828  -2.070984      5.749100 
1 1 1 -1  -22 34 o 60.667  2.1809  503.792   35.356    495.912   50.545    511.341   49.473    60.138  3.1489  61.196  3.0182  -1.057720      4.361779 
1 1 1 -1  -22 35 o 14.303  3.3247  27.958    14.779    24.522    20.685    31.542    21.123    13.640  4.6861  14.966  4.7176  -1.325834      6.649437 
1 1 1 -1  -22 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -22 37 o 13.771  3.3900  24.873    15.518    31.757    22.223    18.324    21.677    14.937  4.8525  12.605  4.7353  2.331751       6.780057 
1 1 1 -1  -22 38 o 10.766  3.1630  6.0419    15.143    10.758    21.168    1.0982    21.672    11.331  4.5557  10.200  4.3891  1.130221       6.326025 
1 1 1 -1  -22 39 o 19.050  3.4111  55.459    18.594    82.228    26.465    29.363    26.130    23.517  4.3621  14.584  5.2455  8.932733       6.822234 
1 1 1 -1  -22 40 o 11.825  3.2057  7.7110    16.641    33.757    23.182    -19.9841  23.904    14.997  4.9601  8.6538  4.0625  6.343222       6.411432 
1 1 1 -1  -22 41 o 14.690  3.6207  31.497    18.448    45.522    25.368    15.756    26.875    16.874  5.1455  12.506  5.0952  4.368287       7.241328 
1 1 1 -1  -22 42 o 11.065  3.2624  6.7627    16.941    20.893    23.334    -8.9845   24.634    12.634  4.8726  9.4972  4.3394  3.136448       6.524764 
1 1 1 -1  -22 43 o 12.233  3.5137  16.377    18.190    8.8942    25.210    24.504    26.271    11.220  4.7780  13.247  5.1531  -2.027567      7.027355 
1 1 1 -1  -22 44 o 26.999  3.5096  122.073   24.059    83.040    33.788    162.218   34.266    21.561  5.7464  32.436  4.0310  -10.87468      7.019229 
1 1 1 -1  -22 45 o 16.978  6.2249  54.697    37.045    54.697    37.045    0.0000    0.0000    16.978  6.2249  ?       ?       ?              ?        
1 1 1 -1  -22 46 o 15.357  3.9096  42.505    21.044    54.139    29.647    30.691    29.874    16.986  5.6089  13.728  5.4479  3.258425       7.819177 
1 1 1 -1  -22 47 o 12.207  3.6430  18.948    20.656    7.8612    28.195    31.791    30.348    10.904  4.8392  13.511  5.4468  -2.607118      7.285983 
1 1 1 -1  -22 48 o 12.641  3.6925  26.835    21.157    43.021    29.776    10.328    30.069    14.347  5.5120  10.935  4.9151  3.411546       7.385092 
1 1 1 -1  -21 1  o 54.174  1.9070  393.649   27.668    399.506   39.537    388.029   38.731    54.568  2.7050  53.779  2.6888  0.7889671      3.814037 
1 1 1 -1  -21 2  o 47.695  1.8738  306.073   23.827    321.382   33.923    291.166   33.475    48.879  2.6004  46.510  2.6987  2.369629       3.747683 
1 1 1 -1  -21 3  o 55.620  1.9083  414.955   28.421    429.496   40.412    400.726   39.977    56.585  2.6663  54.655  2.7308  1.930191       3.816620 
1 1 1 -1  -21 4  o 195.714 3.9069  5164.00   204.796   5119.20   290.239   5208.42   289.016   194.861 5.5609  196.568 5.4893  -1.707382      7.813844 
1 1 1 -1  -21 5  o 91.237  2.2699  1117.51   55.455    1088.90   78.566    1145.93   78.285    90.070  3.2566  92.404  3.1630  -2.334274      4.539845 
1 1 1 -1  -21 6  f 252.714 4.8360  8636.03   327.339   8688.85   463.538   8583.49   462.319   253.489 6.8271  251.939 6.8511  1.550110       9.671947 
1 1 1 -1  -21 7  f 168.091 3.3446  3801.36   150.578   3843.32   213.309   3759.69   212.593   169.018 4.7118  167.163 4.7481  1.854889       6.689192 
1 1 1 -1  -21 8  o 144.980 3.0315  2825.74   117.707   2881.44   166.628   2770.25   166.299   146.411 4.2490  143.548 4.3252  2.862457       6.063075 
1 1 1 -1  -21 9  o 67.546  1.9953  611.898   36.094    598.179   50.665    626.036   51.432    66.777  2.8327  68.315  2.8108  -1.538109      3.990525 
1 1 1 -1  -21 10 o 189.611 3.7106  4842.83   188.421   4939.22   266.367   4746.29   266.568   191.511 5.1928  187.711 5.3019  3.799591       7.421231 
1 1 1 -1  -21 11 o 214.994 4.1246  6234.58   237.499   6316.17   335.693   6152.81   336.056   216.413 5.7912  213.574 5.8745  2.838593       8.249130 
1 1 1 -1  -21 12 o 119.833 2.5961  1928.50   83.312    1877.60   117.297   1980.31   118.352   118.234 3.7039  121.431 3.6388  -3.196877      5.192254 
1 1 1 -1  -21 13 o 229.478 4.4339  7112.25   272.531   7131.04   385.026   7093.38   385.808   229.786 6.2557  229.169 6.2853  0.6167450      8.867861 
1 1 1 -1  -21 14 o 111.921 2.5085  1682.09   75.173    1620.23   105.692   1745.41   106.939   109.835 3.5926  114.007 3.5020  -4.171837      5.017059 
1 1 1 -1  -21 15 o 162.299 3.3016  3545.08   143.520   3503.07   202.565   3587.42   203.374   161.330 4.6877  163.267 4.6506  -1.937103      6.603209 
1 1 1 -1  -21 16 o 178.520 3.5326  4293.12   168.913   4293.89   238.527   4292.34   239.234   178.538 4.9879  178.503 5.0037  0.3555298E-01  7.065120 
1 1 1 -1  -21 17 o 38.350  1.9387  198.317   19.781    197.642   27.761    199.014   28.194    38.285  2.7250  38.415  2.7585  -0.1299019     3.877485 
1 1 1 -1  -21 18 o 83.253  2.0987  930.317   46.798    926.825   65.897    933.870   66.471    83.096  2.9607  83.410  2.9753  -0.3143082     4.197391 
1 1 1 -1  -21 19 o 108.934 2.4225  1594.40   70.682    1605.41   99.807    1583.33   100.112   109.313 3.4088  108.555 3.4431  0.7579117      4.845051 
1 1 1 -1  -21 20 o 144.816 3.0339  2823.90   117.680   2818.19   166.418   2829.61   166.432   144.669 4.2947  144.963 4.2864  -0.2945404     6.067764 
1 1 1 -1  -21 21 o 153.838 3.1484  3189.83   129.728   3176.42   183.693   3203.17   183.235   153.512 4.4675  154.164 4.4375  -0.6517334     6.296788 
1 1 1 -1  -21 22 o 88.267  2.2126  1047.00   52.261    1108.95   74.507    986.996   73.323    90.844  3.0620  85.690  3.1946  5.153442       4.425136 
1 1 1 -1  -21 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -21 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -21 25 o 30.750  2.2687  128.873   18.290    126.781   27.296    130.579   24.640    30.490  3.4003  31.009  3.0042  -0.5186920     4.537327 
1 1 1 -1  -21 26 o 80.059  2.1509  862.844   46.095    871.502   66.473    854.826   63.975    80.439  3.0853  79.678  2.9976  0.7606277      4.301702 
1 1 1 -1  -21 27 o 30.222  2.2898  124.785   18.138    122.721   26.986    126.486   24.496    29.959  3.4245  30.485  3.0405  -0.5266552     4.579543 
1 1 1 -1  -21 28 o 77.808  2.1505  818.191   44.747    781.651   64.073    852.979   62.519    76.090  3.1438  79.527  2.9350  -3.436951      4.300923 
1 1 1 -1  -21 29 o 27.057  2.4365  100.014   17.098    118.808   25.259    84.121    23.228    29.460  3.2554  24.654  3.6259  4.806717       4.872909 
1 1 1 -1  -21 30 o 11.116  2.8521  7.8501    12.408    27.272    18.257    -8.8180   16.914    14.127  4.3751  8.1039  3.6602  6.023287       5.704271 
1 1 1 -1  -21 31 o 109.903 2.5996  1646.58   76.523    1662.07   108.690   1631.34   107.757   110.417 3.6751  109.390 3.6777  1.027031       5.199197 
1 1 1 -1  -21 32 o 50.554  2.0820  347.658   28.039    370.322   40.227    326.242   39.104    52.175  2.8898  48.932  2.9980  3.242916       4.163982 
1 1 1 -1  -21 33 o 42.740  2.1724  249.663   24.657    270.572   35.404    229.970   34.359    44.509  2.9870  40.971  3.1552  3.538128       4.344823 
1 1 1 -1  -21 34 o 61.565  2.1744  519.146   35.649    475.296   50.834    561.578   50.006    58.897  3.2348  64.233  2.9065  -5.335884      4.348744 
1 1 1 -1  -21 35 o 77.294  2.2928  818.471   47.462    813.047   67.548    823.760   66.702    77.024  3.2742  77.564  3.2107  -0.5397415     4.585689 
1 1 1 -1  -21 36 o 55.887  2.2387  430.272   33.336    421.239   47.975    438.707   46.356    55.275  3.2548  56.499  3.0748  -1.224331      4.477476 
1 1 1 -1  -21 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -21 38 o 14.641  3.4001  29.723    15.894    39.946    22.283    19.137    22.676    16.434  4.7770  12.847  4.8398  3.587017       6.800231 
1 1 1 -1  -21 39 o 28.702  3.0168  120.788   21.943    90.700    30.454    153.271   31.643    24.603  4.7937  32.802  3.6642  -8.199350      6.033689 
1 1 1 -1  -21 40 o 12.137  3.2434  11.937    16.204    33.033    22.736    -9.8393   23.100    14.948  4.9107  9.3265  4.2383  5.621009       6.486776 
1 1 1 -1  -21 41 o 22.133  3.3821  76.902    19.986    45.161    27.781    110.954   28.775    16.904  5.4189  27.363  4.0483  -10.45905      6.764166 
1 1 1 -1  -21 42 o 20.992  3.5722  71.008    20.081    55.764    28.005    87.142    28.811    18.415  5.3560  23.569  4.7282  -5.154654      7.144420 
1 1 1 -1  -21 43 o 7.3521  2.5134  -28.2195  14.954    -29.1418  20.206    -27.1025  22.237    7.0515  3.4216  7.6528  3.6825  -0.6012573     5.026768 
1 1 1 -1  -21 44 o 15.163  3.8108  38.042    19.434    37.085    26.888    39.088    28.121    15.011  5.3293  15.316  5.4488  -0.3052206     7.621667 
1 1 1 -1  -21 45 o 14.337  3.6776  33.256    19.117    44.815    25.419    18.207    29.004    16.145  5.1843  12.530  5.2174  3.614182       7.355169 
1 1 1 -1  -21 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -21 47 o 10.044  3.2166  -4.4110   18.950    -19.0197  25.753    12.842    27.986    8.6036  4.0917  11.484  4.9643  -2.880463      6.433268 
1 1 1 -1  -21 48 f 13.090  3.8315  30.255    21.922    31.275    29.685    29.031    32.514    13.181  5.3609  12.999  5.4757  0.1824169      7.663059 
1 1 1 -1  -20 1  o 61.880  1.9823  514.127   32.820    491.937   46.724    535.739   46.111    60.557  2.8806  63.201  2.7239  -2.644009      3.964538 
1 1 1 -1  -20 2  o 152.032 3.1398  3107.05   127.852   3149.06   181.543   3065.71   180.085   153.053 4.4284  151.010 4.4523  2.042328       6.279613 
1 1 1 -1  -20 3  o 80.487  2.1621  869.013   46.607    881.750   66.296    856.566   65.537    81.070  3.0531  79.903  3.0622  1.166573       4.324129 
1 1 1 -1  -20 4  o 98.460  2.3348  1300.89   61.572    1310.96   87.428    1290.98   86.727    98.837  3.3025  98.082  3.3012  0.7558670      4.669541 
1 1 1 -1  -20 5  o 161.599 3.2923  3511.42   142.498   3553.57   202.027   3469.68   201.021   162.567 4.6397  160.632 4.6722  1.934921       6.584527 
1 1 1 -1  -20 6  o 65.204  1.9811  570.248   34.597    574.502   48.781    565.942   49.076    65.449  2.7826  64.958  2.8206  0.4907227      3.962200 
1 1 1 -1  -20 7  o 115.556 2.5518  1792.83   78.962    1842.65   111.878   1743.39   111.461   117.159 3.5652  113.953 3.6518  3.205811       5.103551 
1 1 1 -1  -20 8  o 82.470  2.1290  912.694   47.012    935.308   66.277    889.794   66.695    83.500  2.9634  81.439  3.0575  2.061348       4.257958 
1 1 1 -1  -20 9  o 143.846 2.9726  2780.44   114.531   2793.62   161.853   2767.23   162.090   144.189 4.1908  143.503 4.2170  0.6857605      5.945296 
1 1 1 -1  -20 10 o 84.609  2.1325  960.275   48.323    952.567   67.797    968.234   68.894    84.264  3.0038  84.953  3.0277  -0.6889954     4.264957 
1 1 1 -1  -20 11 o 101.592 2.3329  1385.20   63.475    1390.28   89.256    1380.00   90.288    101.782 3.2740  101.402 3.3243  0.3802872      4.665794 
1 1 1 -1  -20 12 o 128.313 2.7275  2211.34   93.714    2143.92   131.991   2279.88   133.079   126.337 3.9006  130.290 3.8134  -3.952950      5.454930 
1 1 1 -1  -20 13 o 119.361 2.5659  1912.92   82.031    1900.26   115.512   1925.80   116.513   118.963 3.6252  119.759 3.6323  -0.7964020     5.131801 
1 1 1 -1  -20 14 o 105.057 2.3674  1481.54   66.611    1488.01   93.699    1474.94   94.714    105.291 3.3224  104.824 3.3734  0.4671783      4.734801 
1 1 1 -1  -20 15 o 125.702 2.6763  2122.32   90.108    2116.31   127.064   2128.41   127.803   125.523 3.7793  125.880 3.7905  -0.3570404     5.352630 
1 1 1 -1  -20 16 o 224.522 4.3631  6805.14   262.388   6772.50   370.728   6837.91   371.420   223.980 6.1795  225.064 6.1613  -1.084320      8.726278 
1 1 1 -1  -20 17 o 130.305 2.7398  2281.29   95.624    2261.90   134.924   2300.85   135.543   129.748 3.8824  130.862 3.8670  -1.114120      5.479639 
1 1 1 -1  -20 18 o 197.682 3.8792  5268.76   205.396   5259.43   290.325   5278.11   290.623   197.506 5.4880  197.857 5.4839  -0.3514404     7.758307 
1 1 1 -1  -20 19 o 96.998  2.3110  1263.23   60.037    1284.59   85.015    1241.98   84.796    97.818  3.2448  96.178  3.2916  1.639336       4.622074 
1 1 1 -1  -20 20 o 43.170  1.9325  251.093   22.221    249.291   31.842    252.804   31.024    43.014  2.7787  43.326  2.6866  -0.3115883     3.865093 
1 1 1 -1  -20 21 f 41.334  1.9511  230.227   21.470    232.695   30.813    227.899   29.933    41.548  2.7849  41.121  2.7333  0.4271126      3.902127 
1 1 1 -1  -20 22 o 35.413  2.0776  169.194   19.505    180.545   28.245    158.847   26.968    36.557  2.9086  34.269  2.9674  2.288422       4.155170 
1 1 1 -1  -20 23 o 91.512  2.2458  1124.84   55.035    1160.25   78.530    1090.66   77.152    92.929  3.1549  90.095  3.1971  2.834061       4.491672 
1 1 1 -1  -20 24 o 115.679 2.6065  1800.58   80.750    1838.11   115.177   1764.31   113.243   116.865 3.6795  114.493 3.6927  2.372093       5.212968 
1 1 1 -1  -20 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -20 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -20 27 o 98.576  2.3941  1309.91   63.195    1304.67   90.358    1314.93   88.416    98.375  3.4292  98.777  3.3418  -0.4023209     4.788242 
1 1 1 -1  -20 28 o 73.577  2.1343  728.502   42.034    764.459   60.600    695.164   58.352    75.327  3.0036  71.828  3.0330  3.499344       4.268563 
1 1 1 -1  -20 29 o 133.577 2.9020  2421.36   103.824   2415.08   147.512   2427.53   146.155   133.395 4.1286  133.759 4.0794  -0.3641815     5.804048 
1 1 1 -1  -20 30 o 17.922  2.8928  45.553    14.383    71.619    20.601    20.766    20.090    22.740  3.4941  13.104  4.6114  9.636047       5.785651 
1 1 1 -1  -20 31 o 28.028  2.4976  107.963   18.304    114.505   26.820    102.259   25.043    28.829  3.5481  27.228  3.5161  1.601446       4.995191 
1 1 1 -1  -20 32 o 65.738  2.1275  585.448   37.449    596.442   53.795    575.109   52.165    66.332  3.0278  65.144  2.9896  1.187202       4.255049 
1 1 1 -1  -20 33 o 83.704  2.2985  953.497   51.515    988.139   73.349    919.777   72.366    85.219  3.2135  82.188  3.2873  3.030716       4.597010 
1 1 1 -1  -20 34 o 9.9718  2.8958  0.3024    13.315    15.290    19.072    -13.9505  18.599    11.901  4.4473  8.0430  3.7099  3.857597       5.791525 
1 1 1 -1  -20 35 o 43.230  2.2314  256.248   25.646    263.905   36.976    249.150   35.602    43.850  3.1695  42.609  3.1416  1.240803       4.462703 
1 1 1 -1  -20 36 f 20.545  3.2111  61.104    17.222    53.774    23.902    69.018    24.836    19.206  4.6876  21.883  4.3899  -2.677011      6.422165 
1 1 1 -1  -20 37 o 24.030  3.0819  83.495    19.066    90.515    26.733    76.227    27.200    25.174  4.1063  22.886  4.5968  2.287815       6.163766 
1 1 1 -1  -20 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -20 39 o 9.9776  2.8332  -1.0249   13.682    20.759    18.460    -27.5764  20.380    12.575  4.4208  7.3801  3.5448  5.195099       5.666486 
1 1 1 -1  -20 40 o 17.362  3.3486  43.056    18.024    14.178    24.882    74.941    26.145    12.333  4.9461  22.391  4.5153  -10.05782      6.697109 
1 1 1 -1  -20 41 o 22.235  3.2746  77.388    20.230    28.271    28.088    130.331   29.161    14.465  5.3988  30.004  3.7074  -15.53921      6.549174 
1 1 1 -1  -20 42 o 16.135  3.5738  40.151    18.449    58.399    25.582    20.378    26.630    19.184  4.9467  13.086  5.1592  6.098656       7.147534 
1 1 1 -1  -20 43 o 11.200  3.3442  7.6921    17.226    1.4574    23.136    15.448    25.805    10.200  4.4601  12.200  4.9841  -1.999863      6.688337 
1 1 1 -1  -20 44 o 31.765  3.2184  160.296   26.039    185.577   36.135    132.986   37.556    35.020  3.9195  28.509  5.1058  6.511379       6.436751 
1 1 1 -1  -20 45 o 12.342  3.5834  16.825    19.512    26.989    26.474    4.7396    28.869    13.468  5.1913  11.216  4.9411  2.252136       7.166861 
1 1 1 -1  -20 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -20 47 o 8.5304  2.7580  -2.9012   12.400    -11.0414  25.976    -0.4987   14.112    9.2442  4.3052  7.8167  3.4485  1.427525       5.516095 
1 1 1 -1  -20 48 o 13.476  3.5206  30.243    15.612    38.948    29.375    26.817    18.430    14.335  5.4825  12.617  4.4182  1.717989       7.041226 
1 1 1 -1  -19 1  o 34.389  1.9309  159.624   17.597    173.457   25.121    146.296   24.658    35.870  2.6331  32.907  2.8249  2.963257       3.861786 
1 1 1 -1  -19 2  o 127.993 2.7853  2200.87   95.448    2140.94   135.472   2259.94   134.502   126.256 4.0060  129.730 3.8708  -3.473854      5.570549 
1 1 1 -1  -19 3  o 171.128 3.4699  3938.60   159.039   3988.64   225.561   3889.14   224.275   172.211 4.8900  170.045 4.9241  2.166397       6.939700 
1 1 1 -1  -19 4  o 193.229 3.7925  5026.22   196.228   5185.17   278.249   4868.95   276.773   196.281 5.2925  190.177 5.4335  6.104721       7.585092 
1 1 1 -1  -19 5  o 103.232 2.3935  1430.15   66.166    1470.39   93.848    1390.38   93.299    104.679 3.3472  101.786 3.4222  2.892532       4.786944 
1 1 1 -1  -19 6  o 156.371 3.2060  3287.12   134.223   3406.07   190.203   3169.12   189.439   159.198 4.4606  153.543 4.6063  5.655090       6.412040 
1 1 1 -1  -19 7  o 78.314  2.0429  822.695   42.844    838.436   60.507    806.867   60.675    79.067  2.8571  77.561  2.9206  1.505295       4.085711 
1 1 1 -1  -19 8  o 251.065 4.7689  8509.65   320.690   8584.79   453.589   8434.55   453.458   252.182 6.7152  249.948 6.7733  2.233597       9.537894 
1 1 1 -1  -19 9  o 72.035  1.9584  695.734   37.782    683.429   53.010    708.438   53.863    71.387  2.7723  72.682  2.7668  -1.294640      3.916740 
1 1 1 -1  -19 10 o 55.406  1.8167  411.712   26.947    415.082   37.607    408.155   38.631    55.640  2.5234  55.172  2.6141  0.4685211      3.633339 
1 1 1 -1  -19 11 o 267.491 5.0670  9671.82   363.019   9558.22   512.931   9785.82   513.844   265.905 7.2018  269.077 7.1296  -3.172272      10.13400 
1 1 1 -1  -19 12 o 128.441 2.6950  2215.26   92.689    2146.06   130.581   2285.54   131.589   126.415 3.8565  130.466 3.7656  -4.051613      5.390006 
1 1 1 -1  -19 13 o 268.209 5.0839  9730.28   365.048   10071.83  516.236   9388.67   516.276   272.964 7.0608  263.454 7.3162  9.509827       10.16772 
1 1 1 -1  -19 14 o 102.904 2.3269  1421.12   64.132    1425.63   90.357    1416.54   91.041    103.069 3.2730  102.738 3.3084  0.3315125      4.653787 
1 1 1 -1  -19 15 o 86.154  2.0893  995.710   48.212    989.597   67.896    1001.93   68.471    85.888  2.9514  86.421  2.9580  -0.5331192     4.178576 
1 1 1 -1  -19 16 o 137.355 2.8391  2535.01   104.440   2568.22   147.468   2501.59   147.934   138.261 3.9821  136.448 4.0477  1.812424       5.678120 
1 1 1 -1  -19 17 o 118.486 2.5935  1885.36   82.307    1895.47   116.260   1875.20   116.538   118.806 3.6535  118.166 3.6820  0.6396713      5.187023 
1 1 1 -1  -19 18 o 131.038 2.7343  2306.99   95.961    2269.27   135.729   2344.68   135.690   129.964 3.8991  132.113 3.8346  -2.148636      5.468690 
1 1 1 -1  -19 19 o 86.014  2.1192  992.887   48.785    1043.44   69.327    943.300   68.664    88.186  2.9350  83.842  3.0576  4.344826       4.238303 
1 1 1 -1  -19 20 o 122.538 2.6499  2017.31   86.970    2009.05   123.404   2025.47   122.588   122.287 3.7676  122.790 3.7273  -0.5027237     5.299758 
1 1 1 -1  -19 21 o 191.464 3.8061  4942.65   195.190   4954.58   276.671   4930.83   275.414   191.692 5.3885  191.235 5.3769  0.4571533      7.612298 
1 1 1 -1  -19 22 o 96.899  2.3453  1260.69   60.862    1274.05   86.985    1247.87   85.187    97.401  3.3342  96.398  3.2993  1.003235       4.690632 
1 1 1 -1  -19 23 o 109.827 2.5114  1620.47   73.867    1657.02   105.398   1585.18   103.554   111.045 3.5436  108.609 3.5597  2.435631       5.022780 
1 1 1 -1  -19 24 o 74.941  2.0884  752.993   41.873    804.694   60.400    705.151   58.102    77.417  2.9128  72.465  2.9935  4.951523       4.176772 
1 1 1 -1  -19 25 o 194.898 3.8670  5140.24   201.812   5024.35   286.269   5254.73   284.550   192.685 5.5467  197.110 5.3896  -4.425034      7.733983 
1 1 1 -1  -19 26 o 96.887  2.3837  1262.71   61.845    1268.92   88.492    1256.78   86.468    97.116  3.4019  96.659  3.3398  0.4576187      4.767338 
1 1 1 -1  -19 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -19 28 o 108.679 2.5486  1592.93   74.180    1600.19   105.797   1585.90   104.039   108.918 3.6265  108.440 3.5819  0.4778976      5.097212 
1 1 1 -1  -19 29 o 51.486  2.0661  357.825   28.361    373.218   40.726    343.331   39.519    52.567  2.9038  50.406  2.9398  2.160801       4.132124 
1 1 1 -1  -19 30 o 75.167  2.1883  762.411   44.048    759.875   62.911    764.849   61.693    75.038  3.1301  75.296  3.0589  -0.2580643     4.376608 
1 1 1 -1  -19 31 o 96.403  2.4355  1258.80   62.877    1250.00   89.551    1267.35   88.305    96.060  3.4805  96.747  3.4077  -0.6871262     4.870950 
1 1 1 -1  -19 32 o 41.646  2.1698  236.232   24.003    230.376   34.525    241.710   33.394    41.124  3.1586  42.168  2.9757  -1.044205      4.339509 
1 1 1 -1  -19 33 o 84.944  2.3182  980.578   52.730    1008.60   74.765    952.846   74.380    86.166  3.2395  83.722  3.3168  2.443993       4.636328 
1 1 1 -1  -19 34 o 69.806  2.2076  662.798   41.268    680.191   58.474    645.538   58.249    70.731  3.0865  68.881  3.1572  1.849182       4.415240 
1 1 1 -1  -19 35 o 53.130  2.1431  385.581   30.367    379.590   42.980    391.552   42.911    52.708  3.0576  53.553  3.0037  -0.8450012     4.286127 
1 1 1 -1  -19 36 o 25.231  2.8578  90.845    18.376    71.349    25.846    110.775   26.132    22.264  4.4890  28.197  3.5379  -5.932919      5.715641 
1 1 1 -1  -19 37 o 54.421  2.2529  408.323   32.493    356.092   45.652    461.949   46.257    50.787  3.3752  58.055  2.9849  -7.268139      4.505706 
1 1 1 -1  -19 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -19 39 o 17.029  3.2179  39.717    16.922    11.598    23.147    71.996    24.800    11.857  4.7651  22.202  4.3259  -10.34510      6.435775 
1 1 1 -1  -19 40 o 19.865  3.4597  60.577    18.588    74.030    25.620    45.625    27.010    22.361  4.4341  17.369  5.3119  4.992220       6.919394 
1 1 1 -1  -19 41 o 27.151  3.1631  109.553   22.152    99.174    30.719    120.798   31.975    25.692  4.6346  28.611  4.3059  -2.918970      6.326142 
1 1 1 -1  -19 42 o 10.422  3.1720  1.0894    15.947    -5.9342   20.880    10.920    24.703    9.1263  4.0994  11.717  4.8416  -2.590574      6.343934 
1 1 1 -1  -19 43 f 24.248  3.4446  92.072    21.572    73.151    29.256    114.616   31.935    21.229  5.1890  27.268  4.5316  -6.039337      6.889183 
1 1 1 -1  -19 44 o 11.259  3.3148  5.8828    17.921    24.947    24.721    -15.2320  26.017    13.273  5.0407  9.2441  4.3063  4.029247       6.629684 
1 1 1 -1  -19 45 o 11.103  3.3600  4.2733    18.304    -10.0790  24.707    21.736    27.253    9.3052  4.2863  12.901  5.1755  -3.595690      6.719979 
1 1 1 -1  -19 46 o 31.013  2.8351  150.462   21.353    141.463   36.365    155.197   26.379    29.444  4.7745  32.582  3.0585  -3.137712      5.670115 
1 1 1 -1  -19 47 o 11.681  3.3040  13.141    14.016    33.588    27.815    6.1832    16.227    14.144  5.3527  9.2179  3.8748  4.926055       6.607989 
1 1 1 -1  -19 48 o 13.923  2.5904  30.186    15.456    -44.5625  27.634    64.216    18.646    7.6075  3.7544  20.238  3.5701  -12.63101      5.180806 
1 1 1 -1  -19 49 o 11.035  3.2870  12.113    14.616    32.438    29.128    5.2734    16.897    13.161  5.3256  8.9090  3.8543  4.252263       6.574010 
1 1 1 -1  -18 1  o 80.237  2.1115  863.459   45.376    865.791   64.610    861.190   63.743    80.343  3.0024  80.130  2.9699  0.2124252      4.223094 
1 1 1 -1  -18 2  o 116.734 2.5780  1828.81   80.601    1853.36   114.576   1804.77   113.408   117.510 3.6403  115.958 3.6513  1.551422       5.155951 
1 1 1 -1  -18 3  o 197.044 3.9346  5226.11   207.660   5232.45   294.256   5219.82   293.098   197.162 5.5720  196.927 5.5567  0.2353058      7.869223 
1 1 1 -1  -18 4  o 177.691 3.5193  4245.36   167.496   4290.16   237.393   4200.96   236.360   178.626 4.9617  176.755 4.9924  1.871078       7.038682 
1 1 1 -1  -18 5  o 197.270 3.8584  5237.33   203.800   5409.66   288.700   5066.14   287.735   200.519 5.3753  194.021 5.5368  6.498199       7.716826 
1 1 1 -1  -18 6  o 113.739 2.5018  1736.08   76.205    1774.39   107.886   1697.93   107.656   114.993 3.5027  112.484 3.5732  2.509262       5.003670 
1 1 1 -1  -18 7  o 143.852 2.9474  2778.96   113.565   2769.71   160.529   2788.24   160.681   143.612 4.1732  144.093 4.1633  -0.4805298     5.894807 
1 1 1 -1  -18 8  o 93.236  2.1731  1165.96   54.267    1169.38   76.516    1162.49   76.975    93.374  3.0594  93.098  3.0869  0.2766495      4.346128 
1 1 1 -1  -18 9  o 227.213 4.3470  6955.44   264.552   6924.47   373.839   6986.50   374.429   226.704 6.1565  227.721 6.1387  -1.017059      8.694046 
1 1 1 -1  -18 10 o 164.329 3.2584  3628.81   143.411   3572.50   202.384   3685.61   203.245   163.046 4.6342  165.613 4.5818  -2.567383      6.516833 
1 1 1 -1  -18 11 o 134.825 2.7794  2440.62   100.370   2447.74   141.536   2433.42   142.357   135.024 3.9135  134.626 3.9479  0.3984985      5.558885 
1 1 1 -1  -18 12 o 224.647 4.3008  6800.27   258.784   6806.83   365.634   6793.67   366.319   224.758 6.0736  224.536 6.0909  0.2213898      8.601605 
1 1 1 -1  -18 13 o 128.624 2.6788  2221.25   92.283    2243.31   130.209   2198.98   130.808   129.268 3.7606  127.980 3.8159  1.288147       5.357583 
1 1 1 -1  -18 14 o 287.570 5.4690  11191.45  421.237   11289.46  595.534   11093.32  595.905   288.844 7.6976  286.296 7.7709  2.548340       10.93802 
1 1 1 -1  -18 15 f 39.327  1.7638  208.145   18.473    198.949   25.913    217.646   26.341    38.437  2.5311  40.216  2.4571  -1.778908      3.527610 
1 1 1 -1  -18 16 o 167.436 3.2903  3769.79   147.559   3791.66   208.545   3747.86   208.815   167.925 4.6366  166.947 4.6698  0.9776001      6.580595 
1 1 1 -1  -18 17 o 277.155 5.2338  10396.21  388.532   10351.25  549.474   10441.16  549.461   276.549 7.4180  277.760 7.3855  -1.211121      10.46763 
1 1 1 -1  -18 18 o 34.522  1.8548  160.728   17.022    162.903   24.219    158.605   23.929    34.754  2.6209  34.290  2.6253  0.4646263      3.709655 
1 1 1 -1  -18 19 o 71.054  1.9599  676.989   37.289    702.014   53.208    652.836   52.273    72.345  2.7459  69.763  2.7975  2.582031       3.919889 
1 1 1 -1  -18 20 o 42.084  1.8773  238.954   21.009    228.089   30.213    249.124   29.233    41.144  2.7576  43.025  2.5480  -1.881409      3.754536 
1 1 1 -1  -18 21 o 101.217 2.3429  1374.86   63.503    1415.26   90.682    1335.98   88.957    102.677 3.2973  99.758  3.3293  2.919426       4.685725 
1 1 1 -1  -18 22 o 226.070 4.4024  6904.93   266.568   6872.58   377.829   6937.00   376.145   225.533 6.2545  226.606 6.1972  -1.072861      8.804805 
1 1 1 -1  -18 23 o 115.963 2.5851  1807.88   80.241    1760.16   114.530   1853.88   112.455   114.451 3.7360  117.475 3.5739  -3.024094      5.170191 
1 1 1 -1  -18 24 o 13.776  3.0027  22.761    14.034    -0.1263   20.705    42.213    19.088    10.183  4.3331  17.369  4.1581  -7.186503      6.005496 
1 1 1 -1  -18 25 o 118.475 2.6583  1887.05   84.346    1918.85   120.348   1856.34   118.246   119.455 3.7613  117.494 3.7573  1.961235       5.316508 
1 1 1 -1  -18 26 o 53.654  2.0487  388.861   29.241    358.404   42.123    417.185   40.622    51.562  3.0638  55.745  2.7206  -4.183182      4.097396 
1 1 1 -1  -18 27 o 13.706  3.0921  23.802    13.572    10.698    19.714    35.608    18.713    11.434  4.4595  15.977  4.2846  -4.543319      6.184236 
1 1 1 -1  -18 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -18 29 o 66.280  2.1152  590.418   37.486    641.131   54.023    543.327   52.058    69.029  2.9219  63.532  3.0592  5.497150       4.230361 
1 1 1 -1  -18 30 o 71.336  2.1728  685.488   41.508    705.106   59.334    666.685   58.087    72.336  3.0624  70.335  3.0833  2.001343       4.345690 
1 1 1 -1  -18 31 o 57.832  2.0917  452.319   32.288    430.892   46.079    472.986   45.255    56.429  3.0601  59.235  2.8523  -2.805916      4.183331 
1 1 1 -1  -18 32 o 112.370 2.6667  1714.90   80.254    1746.43   113.602   1683.49   113.392   113.414 3.7396  111.326 3.8027  2.088219       5.333450 
1 1 1 -1  -18 33 o 24.945  2.6766  88.360    16.751    114.886   23.754    62.116    23.627    28.960  3.1110  20.929  4.3564  8.031118       5.353154 
1 1 1 -1  -18 34 o 38.181  2.2077  199.287   22.368    193.016   31.682    205.520   31.586    37.564  3.1787  38.797  3.0644  -1.233574      4.415307 
1 1 1 -1  -18 35 o 26.320  2.6633  96.725    18.135    84.486    25.223    109.823   26.092    24.505  3.9793  28.135  3.5407  -3.630484      5.326533 
1 1 1 -1  -18 36 o 63.040  2.2411  543.492   37.739    562.788   53.048    523.718   53.701    64.246  3.0827  61.833  3.2539  2.412811       4.482289 
1 1 1 -1  -18 37 o 8.0712  2.5997  -10.7194  12.478    -5.9569   17.189    -16.0246  18.142    8.4338  3.7586  7.7087  3.5927  0.7250385      5.199481 
1 1 1 -1  -18 38 o 47.734  2.3110  315.480   29.278    335.911   40.920    294.051   41.907    49.397  3.1087  46.071  3.4204  3.325397       4.622015 
1 1 1 -1  -18 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -18 40 o 10.797  3.1157  6.4278    14.448    -1.1837   19.560    15.568    21.434    9.4888  4.1259  12.105  4.6697  -2.616484      6.231309 
1 1 1 -1  -18 41 o 43.095  2.4769  263.810   28.230    278.133   39.092    248.202   40.809    44.454  3.3068  41.736  3.6885  2.717735       4.953778 
1 1 1 -1  -18 42 o 18.343  3.6824  53.185    19.017    57.844    25.892    47.728    28.023    19.257  4.9819  17.430  5.4240  1.827732       7.364768 
1 1 1 -1  -18 43 o 14.481  3.7401  30.562    18.846    31.958    25.173    28.783    28.429    14.618  5.1600  14.344  5.4155  0.2740555      7.480213 
1 1 1 -1  -18 44 o 15.606  3.9372  38.192    20.217    34.877    25.382    43.945    33.436    14.886  5.1866  16.327  5.9249  -1.441544      7.874325 
1 1 1 -1  -18 45 o 19.725  3.3418  65.792    17.072    54.089    29.106    71.930    21.079    17.683  5.5320  21.768  3.7507  -4.084633      6.683600 
1 1 1 -1  -18 46 o 11.731  2.9971  19.639    13.537    -6.8187   25.443    30.085    15.987    9.6634  4.4133  13.799  4.0563  -4.136039      5.994204 
1 1 1 -1  -18 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -18 48 o 10.237  3.0890  8.7751    14.862    -7.5044   28.255    15.002    17.475    9.8147  4.5431  10.658  4.1866  -0.8437490     6.177979 
1 1 1 -1  -18 49 o 23.021  3.4845  85.986    19.605    130.061   36.160    67.637    23.331    26.400  5.2978  19.641  4.5276  6.759033       6.968973 
1 1 1 -1  -17 1  o 31.017  1.8034  129.833   14.849    130.430   21.150    129.253   20.851    31.087  2.5629  30.948  2.5378  0.1390285      3.606765 
1 1 1 -1  -17 2  o 32.546  1.7721  142.820   15.328    145.452   21.776    140.235   21.580    32.846  2.4938  32.246  2.5185  0.5999947      3.544282 
1 1 1 -1  -17 3  o 133.627 2.8186  2396.71   100.882   2419.55   143.139   2374.16   142.202   134.260 3.9804  132.994 3.9920  1.266205       5.637290 
1 1 1 -1  -17 4  o 238.081 4.5584  7635.49   290.680   7583.49   411.446   7687.30   410.721   237.266 6.4742  238.897 6.4187  -1.630325      9.116769 
1 1 1 -1  -17 5  o 289.970 5.4740  11354.46  425.067   11632.82  601.636   11077.03  600.636   293.546 7.6519  286.394 7.8299  7.151886       10.94804 
1 1 1 -1  -17 6  o 137.459 2.8356  2536.03   104.401   2556.02   147.696   2516.07   147.594   138.002 3.9957  136.917 4.0246  1.084686       5.671272 
1 1 1 -1  -17 7  o 93.547  2.1846  1173.45   54.736    1159.88   77.244    1187.13   77.573    93.003  3.1008  94.090  3.0781  -1.087135      4.369174 
1 1 1 -1  -17 8  o 276.619 5.2532  10323.34  389.215   10253.02  550.141   10393.81  550.726   275.670 7.4507  277.568 7.4076  -1.898132      10.50644 
1 1 1 -1  -17 9  o 208.841 4.0282  5866.61   225.325   5874.34   318.381   5858.85   318.936   208.980 5.6879  208.702 5.7054  0.2784424      8.056317 
1 1 1 -1  -17 10 o 125.840 2.6716  2124.99   90.047    2131.95   127.010   2117.96   127.684   126.049 3.7619  125.632 3.7944  0.4165878      5.343195 
1 1 1 -1  -17 11 o 125.156 2.6116  2101.93   87.541    2119.53   123.468   2084.13   124.139   125.684 3.6676  124.627 3.7188  1.057068       5.223135 
1 1 1 -1  -17 12 o 345.620 6.4640  16192.73  598.279   16563.87  846.121   15821.64  846.066   349.629 9.0352  341.611 9.2466  8.017365       12.92804 
1 1 1 -1  -17 13 o 232.384 4.4632  7275.43   277.797   7325.40   392.657   7225.35   393.073   233.188 6.2866  231.579 6.3370  1.608795       8.926332 
1 1 1 -1  -17 14 o 105.766 2.3639  1500.73   66.966    1495.77   94.481    1505.73   94.929    105.591 3.3406  105.942 3.3454  -0.3506699     4.727712 
1 1 1 -1  -17 15 o 171.561 3.3865  3957.17   155.577   4061.82   219.995   3852.47   220.044   173.839 4.7247  169.283 4.8530  4.556015       6.773042 
1 1 1 -1  -17 16 o 39.141  1.7333  206.188   18.080    204.539   25.572    207.835   25.564    38.983  2.4618  39.299  2.4407  -0.3156891     3.466608 
1 1 1 -1  -17 17 o 140.369 2.8787  2646.54   108.232   2641.84   153.311   2651.21   152.816   140.244 4.0813  140.495 4.0609  -0.2505951     5.757419 
1 1 1 -1  -17 18 o 183.968 3.6083  4554.68   177.792   4509.95   251.892   4599.08   250.981   183.062 5.1372  184.874 5.0685  -1.812134      7.216673 
1 1 1 -1  -17 19 o 36.893  1.8372  183.341   18.029    185.661   25.999    181.191   25.022    37.115  2.6323  36.670  2.5638  0.4457550      3.674496 
1 1 1 -1  -17 20 o 59.214  1.8884  470.487   29.915    464.960   43.223    475.569   41.445    58.877  2.7408  59.550  2.5984  -0.6724625     3.776701 
1 1 1 -1  -17 21 o 138.956 2.9221  2595.51   108.742   2572.10   154.665   2618.39   152.918   138.332 4.1743  139.581 4.0902  -1.249344      5.844173 
1 1 1 -1  -17 22 o 36.384  2.1597  181.894   20.470    153.220   30.088    206.602   27.929    33.613  3.3881  39.155  2.6792  -5.542011      4.319435 
1 1 1 -1  -17 23 o 302.145 5.7366  12407.42  464.236   12301.41  657.494   12512.82  655.567   300.832 8.1598  303.457 8.0655  -2.625397      11.47319 
1 1 1 -1  -17 24 o 127.229 2.7838  2176.16   94.847    2156.25   135.124   2195.49   133.166   126.650 3.9833  127.808 3.8900  -1.158302      5.567598 
1 1 1 -1  -17 25 o 91.126  2.2935  1114.86   55.963    1124.08   80.278    1106.16   78.055    91.489  3.2759  90.762  3.2108  0.7273102      4.587025 
1 1 1 -1  -17 26 o 96.109  2.3677  1240.83   60.943    1251.44   87.020    1230.62   85.378    96.510  3.3663  95.708  3.3305  0.8027802      4.735421 
1 1 1 -1  -17 27 o 240.071 4.6657  7828.99   299.974   7996.83   424.859   7662.14   423.600   242.669 6.5364  237.474 6.6596  5.194702       9.331455 
1 1 1 -1  -17 28 o 7.2905  2.4255  -21.3093  12.369    -31.2953  17.298    -10.8598  17.694    6.4183  3.1260  8.1627  3.7095  -1.744464      4.850986 
1 1 1 -1  -17 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -17 30 o 64.653  2.1390  563.430   36.909    609.166   52.689    519.363   51.719    67.281  2.9238  62.025  3.1231  5.255066       4.278084 
1 1 1 -1  -17 31 o 47.258  2.1126  302.385   26.519    332.423   37.799    273.268   37.215    49.600  2.8573  44.916  3.1126  4.684727       4.225179 
1 1 1 -1  -17 32 o 37.464  2.1513  190.717   21.387    199.113   30.333    182.417   30.158    38.300  2.9803  36.628  3.1031  1.672001       4.302508 
1 1 1 -1  -17 33 o 123.218 2.8378  2068.07   93.649    2083.67   131.874   2052.20   133.012   123.704 3.9800  122.732 4.0462  0.9715042      5.675576 
1 1 1 -1  -17 34 o 34.128  2.3068  159.368   20.821    154.365   28.957    164.722   29.959    33.570  3.2616  34.687  3.2629  -1.117382      4.613536 
1 1 1 -1  -17 35 o 28.981  2.5175  117.936   18.769    135.632   25.909    98.393    27.227    31.443  3.1175  26.520  3.9539  4.922684       5.035059 
1 1 1 -1  -17 36 o 48.526  2.1749  321.809   28.116    311.953   39.443    331.991   40.089    47.761  3.1000  49.292  3.0514  -1.531425      4.349884 
1 1 1 -1  -17 37 o 40.055  2.2806  221.149   24.204    231.697   33.748    209.976   34.734    41.090  3.0890  39.020  3.3560  2.069767       4.561211 
1 1 1 -1  -17 38 o 22.294  3.1202  71.754    17.950    54.775    24.817    90.379    25.993    19.343  4.8102  25.245  3.9755  -5.902102      6.240381 
1 1 1 -1  -17 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -17 40 o 22.770  3.2918  76.172    19.310    72.643    25.878    80.606    29.004    22.226  4.5012  23.313  4.8046  -1.086792      6.583645 
1 1 1 -1  -17 41 o 52.598  2.4558  389.992   34.338    402.340   47.688    376.696   49.485    53.562  3.3407  51.634  3.6006  1.928211       4.911661 
1 1 1 -1  -17 42 o 21.068  3.1986  71.074    20.153    123.964   27.930    13.634    29.107    29.347  3.6307  12.790  5.2671  16.55709       6.397192 
1 1 1 -1  -17 43 o 10.987  3.1105  11.692    13.256    11.498    23.303    11.785    16.118    11.546  4.7290  10.428  4.0419  1.118255       6.220974 
1 1 1 -1  -17 44 o 32.024  2.6687  156.155   20.896    136.184   34.690    167.527   26.177    29.724  4.4977  34.323  2.8738  -4.599083      5.337443 
1 1 1 -1  -17 45 o 12.407  2.9880  22.989    13.449    -1.3752   23.869    34.322    16.279    9.9699  4.4372  14.844  4.0029  -4.874199      5.975941 
1 1 1 -1  -17 46 o 14.414  3.4679  31.699    15.092    41.043    27.186    27.536    18.145    15.572  5.3710  13.256  4.3885  2.315939       6.935884 
1 1 1 -1  -17 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -17 48 o 11.397  3.3028  14.669    15.091    22.942    26.986    10.905    18.204    12.623  5.1197  10.170  4.1741  2.453485       6.605635 
1 1 1 -1  -17 49 o 10.038  3.0926  7.0345    14.573    11.807    26.202    4.8971    17.535    10.997  4.7785  9.0801  3.9273  1.916438       6.185280 
1 1 1 -1  -16 1  o 104.312 2.4053  1460.00   67.172    1417.11   95.355    1502.26   94.640    102.788 3.4635  105.837 3.3385  -3.048866      4.810532 
1 1 1 -1  -16 2  o 296.742 5.6273  11882.92  447.210   12114.92  633.259   11652.11  631.646   299.650 7.8900  293.833 8.0257  5.817078       11.25452 
1 1 1 -1  -16 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 14 o 200.433 3.9035  5402.08   209.525   5520.41   296.286   5283.70   296.341   202.638 5.4589  198.228 5.5813  4.409317       7.807068 
1 1 1 -1  -16 15 o 53.667  1.7345  386.012   24.929    395.533   35.426    376.672   35.086    54.323  2.4347  53.011  2.4710  1.311676       3.468976 
1 1 1 -1  -16 16 o 32.301  1.8215  141.498   15.537    128.148   22.358    153.964   21.606    30.795  2.7393  33.807  2.4016  -3.012098      3.642997 
1 1 1 -1  -16 17 o 43.732  1.7475  256.968   20.377    265.028   29.351    249.467   28.313    44.395  2.4782  43.069  2.4646  1.326073       3.495083 
1 1 1 -1  -16 18 o 128.092 2.7009  2202.58   92.660    2221.04   131.756   2184.52   130.338   128.622 3.8244  127.561 3.8147  1.060898       5.401710 
1 1 1 -1  -16 19 o 118.482 2.5783  1884.16   81.815    1912.35   116.598   1856.82   114.831   119.354 3.6472  117.609 3.6453  1.745407       5.156575 
1 1 1 -1  -16 20 o 119.132 2.5799  1905.94   82.301    1881.88   117.319   1929.26   115.485   118.387 3.6998  119.877 3.5967  -1.489746      5.159871 
1 1 1 -1  -16 21 o 8.7607  2.5504  -0.6868   10.140    10.726    15.225    -9.7855   13.594    10.518  3.9650  7.0039  3.2089  3.513605       5.100832 
1 1 1 -1  -16 22 o 83.875  2.1493  944.948   48.225    920.069   69.409    968.167   67.051    82.801  3.1296  84.948  2.9469  -2.146507      4.298687 
1 1 1 -1  -16 23 o 76.511  2.1110  784.747   43.234    824.985   62.137    746.985   60.193    78.412  2.9585  74.611  3.0120  3.801414       4.221998 
1 1 1 -1  -16 24 o 254.124 4.8923  8741.84   332.993   8690.27   471.697   8793.08   470.153   253.364 6.9507  254.883 6.8867  -1.519363      9.784608 
1 1 1 -1  -16 25 o 55.436  2.0520  413.928   30.333    392.246   43.564    434.332   42.261    53.976  3.0254  56.897  2.7731  -2.920418      4.104043 
1 1 1 -1  -16 26 o 239.266 4.6493  7752.89   297.925   7630.32   421.589   7875.17   421.070   237.354 6.6314  241.178 6.5182  -3.823792      9.298503 
1 1 1 -1  -16 27 f 85.547  2.2539  982.871   51.641    994.143   73.490    971.875   72.582    86.032  3.1892  85.063  3.1857  0.9686890      4.507713 
1 1 1 -1  -16 28 o 68.054  2.1027  621.991   38.324    634.348   54.553    609.951   53.850    68.722  2.9637  67.386  2.9835  1.335815       4.205327 
1 1 1 -1  -16 29 o 53.134  2.0835  380.406   29.515    400.349   42.202    361.313   41.294    54.506  2.9012  51.762  2.9912  2.743786       4.167000 
1 1 1 -1  -16 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 31 o 17.742  3.3149  44.060    16.106    36.460    22.489    52.063    23.077    16.267  4.8190  19.218  4.5532  -2.950773      6.629744 
1 1 1 -1  -16 32 o 48.030  2.0956  312.477   26.796    324.978   37.581    299.548   38.218    49.026  2.8744  47.034  3.0501  1.992733       4.191117 
1 1 1 -1  -16 33 o 73.867  2.2128  737.669   43.763    748.845   61.310    726.060   62.487    74.449  3.0746  73.285  3.1834  1.164413       4.425690 
1 1 1 -1  -16 34 o 49.010  2.1303  326.240   27.826    325.740   39.042    326.758   39.668    48.976  2.9905  49.043  3.0347  -0.6671524E-01 4.260586 
1 1 1 -1  -16 35 o 11.713  3.0408  14.106    12.668    7.7367    17.013    22.030    18.976    10.293  4.1030  13.133  4.4890  -2.839154      6.081591 
1 1 1 -1  -16 36 o 32.723  2.4398  148.947   20.831    167.311   29.008    129.393   29.933    34.927  3.1341  30.518  3.7401  4.409101       4.879651 
1 1 1 -1  -16 37 o 39.910  2.3281  218.963   24.280    173.732   33.403    269.629   35.353    35.423  3.5692  44.397  2.9903  -8.973888      4.656284 
1 1 1 -1  -16 38 o 17.150  3.2629  43.395    15.989    57.368    21.597    26.449    23.784    19.977  4.1708  14.323  5.0189  5.654280       6.525731 
1 1 1 -1  -16 39 o 24.923  2.9384  88.316    18.871    80.502    25.590    97.630    27.939    23.685  4.1870  26.161  4.1239  -2.476011      5.876860 
1 1 1 -1  -16 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 41 o 37.378  2.2498  192.887   21.848    207.098   35.066    183.869   27.932    38.360  3.4497  36.395  2.8890  1.964516       4.499684 
1 1 1 -1  -16 42 o 15.005  2.7695  19.991    13.054    69.814    23.347    -2.6704   15.746    21.717  4.1651  8.2918  3.6512  13.42542       5.538915 
1 1 1 -1  -16 43 o 12.438  3.2490  19.427    13.611    23.100    23.964    17.678    16.538    13.288  4.9814  11.588  4.1725  1.700109       6.497980 
1 1 1 -1  -16 44 o 20.212  3.2003  61.170    16.071    72.258    28.310    55.898    19.522    21.199  5.0567  19.225  3.9240  1.974342       6.400563 
1 1 1 -1  -16 45 o 17.524  3.1321  41.087    15.058    82.050    26.345    21.211    18.351    22.854  4.4639  12.194  4.3948  10.65909       6.264260 
1 1 1 -1  -16 46 o 18.777  3.3824  52.243    16.336    80.113    29.171    39.508    19.718    21.917  5.0699  15.637  4.4788  6.280568       6.764829 
1 1 1 -1  -16 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -16 48 o 8.8918  2.8200  -2.2069   14.010    -26.7791  27.056    6.7949    16.376    8.4656  4.0708  9.3179  3.9035  -0.8522863     5.639928 
1 1 1 -1  -16 49 o 11.458  3.3710  8.7170    15.620    39.985    30.409    -2.4905   18.206    14.512  5.5714  8.4044  3.7965  6.107451       6.742006 
1 1 1 -1  -15 1  o 113.374 3.6285  1728.66   109.986   1657.49   158.213   1795.21   153.005   111.102 5.3166  115.646 4.9395  -4.544388      7.257067 
1 1 1 -1  -15 2  o 140.179 2.9467  2636.07   110.617   2583.47   156.816   2688.16   156.058   138.784 4.2185  141.573 4.1154  -2.789215      5.893462 
1 1 1 -1  -15 3  o 89.400  2.1611  1071.15   51.742    1096.37   73.421    1046.26   72.931    90.446  3.0307  88.354  3.0817  2.092300       4.322272 
1 1 1 -1  -15 4  o 87.492  2.1440  1025.88   50.243    1035.11   71.089    1016.66   71.018    87.885  3.0199  87.098  3.0442  0.7872086      4.288035 
1 1 1 -1  -15 5  o 283.112 5.3327  10780.09  404.248   11110.29  572.005   10450.62  571.381   287.461 7.4290  278.763 7.6525  8.697998       10.66541 
1 1 1 -1  -15 6  o 163.798 3.2496  3598.60   142.561   3648.05   201.535   3549.08   201.687   164.926 4.5622  162.669 4.6290  2.255981       6.499297 
1 1 1 -1  -15 7  o 244.919 4.6712  8057.52   306.433   8021.73   433.100   8093.39   433.624   244.374 6.6168  245.465 6.5953  -1.091431      9.342340 
1 1 1 -1  -15 8  o 192.986 3.7637  4997.92   194.534   5067.27   274.880   4928.34   275.346   194.331 5.2810  191.642 5.3641  2.688309       7.527442 
1 1 1 -1  -15 9  o 192.758 3.7615  4985.92   194.205   4944.52   274.297   5027.54   274.998   191.954 5.3350  193.561 5.3042  -1.607071      7.523094 
1 1 1 -1  -15 10 o 175.494 3.4201  4132.12   160.723   4013.83   226.889   4251.26   227.708   172.969 4.8973  178.019 4.7755  -5.050049      6.840246 
1 1 1 -1  -15 11 o 309.300 5.7665  12878.53  477.715   12998.34  675.438   12758.61  675.744   310.747 8.1150  307.853 8.1950  2.894409       11.53308 
1 1 1 -1  -15 12 o 271.834 5.0674  9938.94   368.936   10065.06  521.664   9812.74   521.846   273.567 7.1193  270.102 7.2132  3.465851       10.13481 
1 1 1 -1  -15 13 o 269.757 5.1017  9791.80   368.610   9863.58   521.198   9719.96   521.389   270.751 7.1869  268.763 7.2428  1.988129       10.20341 
1 1 1 -1  -15 14 o 38.435  1.7224  199.026   17.567    221.415   25.038    177.320   24.654    40.584  2.3129  36.286  2.5529  4.297977       3.444855 
1 1 1 -1  -15 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -15 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -15 17 o 182.833 3.5827  4492.30   175.449   4506.62   248.831   4478.15   247.421   183.122 5.0731  182.544 5.0603  0.5778809      7.165443 
1 1 1 -1  -15 18 o 128.140 2.7212  2204.02   93.387    2193.05   132.921   2214.72   131.233   127.823 3.8824  128.457 3.8141  -0.6349030     5.442443 
1 1 1 -1  -15 19 o 182.014 3.5971  4456.63   175.311   4351.67   248.769   4560.19   247.095   179.872 5.1635  184.155 5.0095  -4.282242      7.194192 
1 1 1 -1  -15 20 o 170.659 3.4016  3916.54   155.472   3882.26   220.904   3950.19   218.850   169.913 4.8539  171.405 4.7669  -1.492386      6.803185 
1 1 1 -1  -15 21 o 133.478 2.8263  2392.78   101.039   2424.77   143.965   2361.74   141.839   134.357 4.0004  132.600 3.9936  1.757111       5.652647 
1 1 1 -1  -15 22 o 104.226 2.3971  1457.85   66.910    1472.85   95.610    1443.46   93.669    104.750 3.4077  103.702 3.3722  1.047859       4.794228 
1 1 1 -1  -15 23 o 8.3254  2.5140  -4.2723   10.536    7.0034    15.008    -15.2284  14.794    9.7990  3.8700  6.8519  3.2100  2.947098       5.028018 
1 1 1 -1  -15 24 o 339.045 6.4427  15673.24  585.060   15559.69  827.772   15786.59  827.029   337.793 9.1489  340.297 9.0735  -2.504089      12.88530 
1 1 1 -1  -15 25 o 212.939 4.1472  6119.82   236.531   6072.50   334.661   6167.05   334.350   212.109 5.8906  213.768 5.8394  -1.659302      8.294428 
1 1 1 -1  -15 26 o 47.747  2.0573  307.362   26.160    296.595   37.351    317.728   36.650    46.915  2.9879  48.579  2.8289  -1.663788      4.114629 
1 1 1 -1  -15 27 o 59.036  2.0431  467.810   32.305    465.094   45.824    470.494   45.550    58.865  2.9063  59.207  2.8722  -0.3422661     4.086120 
1 1 1 -1  -15 28 o 128.525 2.8451  2223.20   97.934    2258.90   138.383   2187.37   138.617   129.565 3.9876  127.486 4.0594  2.078751       5.690301 
1 1 1 -1  -15 29 o 85.027  2.2726  971.769   51.755    972.360   72.844    971.168   73.546    85.054  3.1975  84.999  3.2304  0.5532074E-01  4.545260 
1 1 1 -1  -15 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -15 31 o 100.048 2.5005  1349.35   67.002    1339.38   93.955    1359.68   95.575    99.675  3.5192  100.421 3.5533  -0.7460403     5.001085 
1 1 1 -1  -15 32 o 50.860  2.1189  349.571   28.732    344.198   40.128    355.223   41.158    50.460  2.9822  51.260  3.0109  -0.7999916     4.237833 
1 1 1 -1  -15 33 o 39.645  2.1892  213.219   23.049    206.534   31.965    220.460   33.267    38.997  3.0855  40.294  3.1064  -1.297218      4.378304 
1 1 1 -1  -15 34 f 49.759  2.1521  337.503   28.409    364.145   39.519    309.012   40.867    51.846  2.8568  47.671  3.2194  4.174786       4.304201 
1 1 1 -1  -15 35 o 34.216  2.3753  161.647   21.302    178.811   29.616    143.247   30.664    36.191  3.0847  32.242  3.6128  3.948521       4.750533 
1 1 1 -1  -15 36 o 36.910  2.2775  185.974   22.207    165.896   30.440    208.820   32.470    34.750  3.3104  39.070  3.1290  -4.319904      4.555096 
1 1 1 -1  -15 37 o 37.852  2.3312  195.897   23.295    173.364   31.729    222.247   34.311    35.462  3.3814  40.242  3.2099  -4.779419      4.662333 
1 1 1 -1  -15 38 o 17.161  3.2516  43.552    16.065    58.820    21.545    24.434    24.109    20.268  4.1093  14.054  5.0403  6.214263       6.503140 
1 1 1 -1  -15 39 o 23.983  3.0952  84.555    18.896    102.414   26.059    64.753    27.439    26.983  3.7032  20.982  4.9606  6.001369       6.190384 
1 1 1 -1  -15 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -15 41 o 23.065  2.7786  76.171    15.791    78.727    26.880    74.825    19.512    23.115  4.5035  23.015  3.2561  0.9993362E-01  5.557288 
1 1 1 -1  -15 42 o 23.239  2.8053  78.050    16.275    81.719    26.934    75.941    20.425    23.436  4.4536  23.043  3.4124  0.3924961      5.610610 
1 1 1 -1  -15 43 o 15.237  3.1880  37.015    14.827    17.258    25.235    47.432    18.324    12.649  5.0110  17.825  3.9426  -5.176352      6.376049 
1 1 1 -1  -15 44 f 16.288  3.2654  42.620    14.802    34.521    25.365    46.802    18.227    15.010  5.1873  17.565  3.9679  -2.554682      6.530895 
1 1 1 -1  -15 45 o 14.775  3.1768  36.036    15.192    12.086    25.659    48.964    18.851    11.743  4.9000  17.807  4.0446  -6.063287      6.353660 
1 1 1 -1  -15 46 o 15.596  3.4225  35.008    15.617    59.681    26.814    22.343    19.211    18.806  5.1651  12.386  4.4916  6.419438       6.844905 
1 1 1 -1  -15 47 o 24.381  3.3470  93.971    19.951    106.363   35.102    88.058    24.249    24.879  5.4209  23.883  3.9272  0.9961109      6.693909 
1 1 1 -1  -15 48 o 18.873  3.6092  57.458    18.219    84.933    31.115    43.124    22.474    21.896  5.3507  15.850  4.8452  6.046185       7.218435 
1 1 1 -1  -15 49 o 10.943  3.2809  12.910    16.519    3.7852    28.902    17.337    20.131    10.689  4.8102  11.197  4.4631  -0.5077248     6.561814 
1 1 1 -1  -14 1  o 250.273 4.7701  8414.40   319.636   8148.17   452.333   8679.94   451.734   246.307 6.8564  254.240 6.6336  -7.933533      9.540148 
1 1 1 -1  -14 2  o 342.025 6.3597  15737.25  582.606   15868.15  824.534   15606.72  823.326   343.451 8.9630  340.599 9.0248  2.851471       12.71942 
1 1 1 -1  -14 3  o 206.018 3.9824  5694.26   219.713   5572.34   310.893   5815.91   310.548   203.811 5.6950  208.225 5.5681  -4.414368      7.964720 
1 1 1 -1  -14 4  o 167.817 3.3648  3775.84   151.242   3752.17   213.947   3799.49   213.830   167.291 4.7747  168.344 4.7422  -1.052963      6.729511 
1 1 1 -1  -14 5  o 144.128 2.9414  2784.43   113.537   2833.38   160.536   2735.45   160.596   145.396 4.1222  142.859 4.1970  2.536896       5.882802 
1 1 1 -1  -14 6  o 44.765  1.6726  269.011   19.966    253.883   27.871    284.960   28.617    43.468  2.4032  46.063  2.3270  -2.595570      3.345181 
1 1 1 -1  -14 7  o 174.584 3.4191  4086.24   159.882   4060.55   225.824   4112.05   226.390   174.033 4.8445  175.134 4.8261  -1.100830      6.838170 
1 1 1 -1  -14 8  o 162.284 3.2015  3530.36   139.160   3534.13   196.525   3526.56   197.082   162.371 4.5188  162.196 4.5365  0.1747589      6.403011 
1 1 1 -1  -14 9  o 186.408 3.6339  4659.36   181.436   4655.59   256.311   4663.15   256.868   186.332 5.1356  186.483 5.1426  -0.1509094     7.267761 
1 1 1 -1  -14 10 o 326.514 6.0245  14329.14  526.880   14285.49  744.824   14372.87  745.417   326.015 8.5296  327.013 8.5103  -0.9982300     12.04901 
1 1 1 -1  -14 11 o 234.718 4.4633  7393.82   280.598   7350.60   396.593   7437.15   397.059   234.030 6.3268  235.406 6.2972  -1.375946      8.926571 
1 1 1 -1  -14 12 o 302.334 5.6484  12286.71  457.408   12250.76  646.711   12322.69  647.034   301.890 7.9978  302.778 7.9784  -0.8877258     11.29688 
1 1 1 -1  -14 13 o 48.851  1.7118  320.290   22.348    310.857   31.743    329.561   31.469    48.105  2.4719  49.598  2.3688  -1.492207      3.423697 
1 1 1 -1  -14 14 o 244.291 4.6542  8017.48   304.537   8022.46   430.897   8012.50   430.465   244.367 6.5833  244.215 6.5808  0.1514587      9.308373 
1 1 1 -1  -14 15 o 77.454  2.0056  804.502   41.580    777.507   59.162    830.851   58.450    76.168  2.8999  78.740  2.7714  -2.571922      4.011264 
1 1 1 -1  -14 16 o 263.366 4.9382  9332.88   348.317   9499.63   493.421   9167.24   491.772   265.720 6.9327  261.012 7.0342  4.707764       9.876363 
1 1 1 -1  -14 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -14 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -14 19 f 138.125 2.8869  2561.47   106.786   2539.57   152.075   2582.76   149.983   137.539 4.1280  138.711 4.0369  -1.171982      5.773821 
1 1 1 -1  -14 20 o 168.948 3.3829  3837.14   153.058   3783.09   217.453   3890.20   215.473   167.761 4.8393  170.134 4.7284  -2.372650      6.765852 
1 1 1 -1  -14 21 o 82.805  2.1144  919.321   46.885    937.146   67.162    902.378   65.482    83.587  2.9998  82.023  2.9806  1.564377       4.228802 
1 1 1 -1  -14 22 o 265.185 5.0704  9507.76   360.138   9600.35   510.019   9415.69   508.608   266.481 7.1455  263.888 7.1957  2.592712       10.14081 
1 1 1 -1  -14 23 o 29.215  2.0981  116.129   15.982    137.693   22.895    95.632    22.321    31.928  2.7026  26.503  3.2099  5.425272       4.196109 
1 1 1 -1  -14 24 o 74.702  2.0922  748.706   41.838    784.285   59.537    713.998   58.805    76.458  2.9072  72.947  3.0097  3.511070       4.184486 
1 1 1 -1  -14 25 o 173.476 3.5263  4052.56   163.835   4114.52   231.698   3990.59   231.696   174.810 4.9484  172.143 5.0251  2.667221       7.052544 
1 1 1 -1  -14 26 o 151.842 3.1969  3102.19   130.021   3099.10   183.631   3105.29   184.124   151.767 4.5173  151.917 4.5250  -0.1503601     6.393871 
1 1 1 -1  -14 27 o 169.212 3.4520  3857.05   156.454   3837.40   220.807   3876.87   221.714   168.779 4.8843  169.646 4.8793  -0.8667297     6.903964 
1 1 1 -1  -14 28 o 95.528  2.3892  1226.13   61.124    1239.47   86.060    1212.54   86.831    96.056  3.3449  95.000  3.4124  1.055229       4.778419 
1 1 1 -1  -14 29 o 92.747  2.3771  1156.22   59.045    1158.94   82.906    1153.42   84.113    92.861  3.3332  92.633  3.3901  0.2273712      4.754246 
1 1 1 -1  -14 30 f 58.634  2.1262  463.478   33.266    487.035   46.604    439.009   47.498    60.207  2.8900  57.062  3.1195  3.144932       4.252462 
1 1 1 -1  -14 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -14 32 o 100.165 2.5159  1353.64   67.489    1339.80   94.482    1368.06   96.436    99.646  3.5400  100.684 3.5759  -1.037849      5.031755 
1 1 1 -1  -14 33 o 54.780  2.1360  405.624   31.209    393.018   43.559    418.922   44.737    53.902  3.0294  55.658  3.0121  -1.756546      4.271963 
1 1 1 -1  -14 34 o 120.634 2.8386  1978.52   91.703    1948.71   128.293   2009.66   131.130   119.711 4.0011  121.556 4.0275  -1.845482      5.677116 
1 1 1 -1  -14 35 o 50.857  2.1868  352.634   29.555    372.474   41.089    331.367   42.542    52.385  2.9403  49.330  3.2377  3.055557       4.373573 
1 1 1 -1  -14 36 o 68.423  2.2707  636.065   41.587    625.422   57.576    647.675   60.133    67.839  3.1686  69.008  3.2533  -1.169167      4.541397 
1 1 1 -1  -14 37 o 46.468  2.2744  295.431   28.104    290.390   38.727    301.038   40.847    46.066  3.1577  46.870  3.2743  -0.8035583     4.548859 
1 1 1 -1  -14 38 f 85.490  2.3483  1004.62   53.464    949.234   78.530    1052.46   72.991    83.168  3.5253  87.812  3.1033  -4.644112      4.696612 
1 1 1 -1  -14 39 o 10.226  2.8778  6.6060    11.308    14.599    19.631    2.6368    13.834    11.816  4.4907  8.6359  3.6002  3.179936       5.755687 
1 1 1 -1  -14 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -14 41 o 57.760  2.1595  456.053   33.027    507.866   50.756    418.004   43.495    60.523  3.1418  54.998  2.9635  5.524662       4.318945 
1 1 1 -1  -14 42 o 20.572  2.9191  58.676    15.087    79.064    25.447    47.624    18.735    23.171  4.2571  17.974  3.9952  5.196993       5.838176 
1 1 1 -1  -14 43 o 43.310  2.2787  265.435   25.771    263.756   40.230    266.603   33.561    42.969  3.5265  43.650  2.8868  -0.6810379     4.557429 
1 1 1 -1  -14 44 o 11.206  3.1313  12.784    13.275    16.614    22.907    10.848    16.290    12.138  4.7852  10.274  4.0400  1.863897       6.262560 
1 1 1 -1  -14 45 o 14.396  3.3921  30.665    14.606    38.508    25.579    26.871    17.791    15.493  5.2122  13.299  4.3427  2.193682       6.784287 
1 1 1 -1  -14 46 o 12.040  3.2886  15.135    14.183    32.153    25.821    7.7817    16.973    14.325  5.2054  9.7549  4.0203  4.570160       6.577121 
1 1 1 -1  -14 47 o 12.949  3.1852  25.562    15.217    1.4221    25.858    38.350    18.821    10.478  4.6429  15.421  4.3617  -4.942857      6.370337 
1 1 1 -1  -14 48 o 10.904  3.1875  12.684    14.825    5.6355    26.285    15.972    17.953    10.800  4.7374  11.008  4.2660  -0.2079153     6.375057 
1 1 1 -1  -14 49 o 15.027  3.6675  41.381    17.560    37.405    32.365    43.040    20.904    14.344  5.6775  15.709  4.6441  -1.364984      7.334956 
1 1 1 -1  -13 1  o 240.015 4.6267  7728.92   297.408   7608.14   420.975   7849.26   420.222   238.139 6.5999  241.891 6.4859  -3.751282      9.253399 
1 1 1 -1  -13 2  o 354.594 6.5955  16894.39  626.407   17029.12  886.431   16760.00  885.317   356.010 9.2959  353.178 9.3587  2.832092       13.19091 
1 1 1 -1  -13 3  o 372.308 6.8849  18628.36  686.479   18999.53  971.391   18258.05  970.266   376.025 9.6447  368.591 9.8278  7.433960       13.76977 
1 1 1 -1  -13 4  o 317.751 5.9210  13555.74  503.879   13794.16  712.831   13317.65  712.354   320.550 8.3024  314.952 8.4443  5.598236       11.84210 
1 1 1 -1  -13 5  f 300.268 5.5477  12100.35  446.181   12040.00  630.887   12160.75  631.104   299.518 7.8639  301.019 7.8274  -1.501068      11.09549 
1 1 1 -1  -13 6  o 415.971 7.6639  23267.22  853.820   22912.58  1206.98   23622.45  1207.99   412.786 10.917  419.156 10.760  -6.369843      15.32781 
1 1 1 -1  -13 7  o 496.066 9.1630  33146.55  1217.48   32963.57  1721.39   33329.70  1722.18   494.689 12.991  497.444 12.925  -2.754120      18.32607 
1 1 1 -1  -13 8  o 171.402 3.3797  3937.68   155.151   3881.42   219.079   3994.30   219.754   170.173 4.8064  172.631 4.7526  -2.458359      6.759334 
1 1 1 -1  -13 9  o 71.830  1.8757  691.083   36.086    684.619   50.696    697.722   51.378    71.489  2.6475  72.170  2.6579  -0.6808167     3.751488 
1 1 1 -1  -13 10 o 300.276 5.6592  12104.42  455.146   12226.15  643.584   11982.61  643.763   301.790 7.9618  298.762 8.0447  3.028198       11.31848 
1 1 1 -1  -13 11 o 507.042 9.3550  34666.72  1270.50   34731.60  1796.67   34601.82  1796.86   507.520 13.217  506.564 13.243  0.9559326      18.70998 
1 1 1 -1  -13 12 o 335.374 6.1722  15113.15  554.338   15463.59  784.208   14763.16  783.696   339.272 8.6297  331.475 8.8269  7.796692       12.34443 
1 1 1 -1  -13 13 o 368.061 6.7510  18221.00  665.416   18654.09  941.621   17788.98  940.459   372.448 9.4389  363.674 9.6547  8.773438       13.50208 
1 1 1 -1  -13 14 o 503.131 9.2937  34210.98  1252.31   34810.80  1771.94   33612.39  1770.12   507.575 13.033  498.687 13.252  8.888031       18.58737 
1 1 1 -1  -13 15 o 80.160  2.0360  862.644   43.628    815.116   62.401    908.094   61.021    77.994  2.9870  82.325  2.7673  -4.331367      4.071901 
1 1 1 -1  -13 16 o 372.424 6.9336  18703.81  691.649   18763.33  979.072   18644.53  977.209   373.017 9.7993  371.831 9.8119  1.186096       13.86724 
1 1 1 -1  -13 17 o 422.604 7.8603  24172.19  889.732   24120.65  1259.22   24223.58  1257.32   422.146 11.137  423.062 11.096  -0.9161072     15.72055 
1 1 1 -1  -13 18 o 149.397 3.0270  2994.30   121.116   3054.34   172.411   2935.80   170.180   150.877 4.2663  147.918 4.2953  2.958511       6.054044 
1 1 1 -1  -13 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -13 20 o 176.594 3.5375  4191.17   167.320   4180.32   237.350   4201.88   235.908   176.365 5.0245  176.824 4.9810  -0.4595184     7.074968 
1 1 1 -1  -13 21 o 115.279 2.5675  1783.36   79.274    1793.65   112.604   1773.26   111.624   115.608 3.6364  114.950 3.6254  0.6580811      5.134935 
1 1 1 -1  -13 22 o 102.737 2.3861  1416.28   65.656    1438.44   93.176    1394.42   92.532    103.536 3.3599  101.938 3.3890  1.597992       4.772187 
1 1 1 -1  -13 23 o 179.798 3.6143  4350.97   174.040   4426.29   246.203   4275.73   246.056   181.361 5.0683  178.236 5.1541  3.125656       7.228539 
1 1 1 -1  -13 24 o 219.301 4.2865  6488.51   251.787   6463.47   355.868   6513.61   356.293   218.876 6.0702  219.727 6.0539  -0.8516541     8.573019 
1 1 1 -1  -13 25 o 234.846 4.5496  7451.44   286.177   7373.91   404.265   7529.33   405.168   233.612 6.4607  236.079 6.4075  -2.466156      9.099298 
1 1 1 -1  -13 26 o 149.441 3.1530  3004.13   126.203   3001.61   177.886   3006.68   179.077   149.380 4.4459  149.503 4.4720  -0.1221161     6.305938 
1 1 1 -1  -13 27 f 106.642 2.5479  1527.71   72.767    1529.20   102.104   1526.17   103.730   106.697 3.5727  106.586 3.6334  0.1113129      5.095701 
1 1 1 -1  -13 28 o 184.156 3.7227  4574.02   183.617   4525.26   258.748   4623.49   260.611   183.165 5.2741  185.147 5.2552  -1.981995      7.445304 
1 1 1 -1  -13 29 o 147.208 3.1483  2920.83   124.059   3013.91   174.577   2825.87   176.328   149.597 4.3569  144.819 4.5457  4.777496       6.296521 
1 1 1 -1  -13 30 o 76.527  2.2325  788.037   45.704    819.321   63.997    755.474   65.292    78.087  3.0598  74.967  3.2516  3.120285       4.464921 
1 1 1 -1  -13 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -13 32 o 83.299  2.3473  933.899   52.344    896.844   72.692    973.802   75.435    81.584  3.3265  85.015  3.3128  -3.430435      4.694693 
1 1 1 -1  -13 33 o 49.079  2.2012  327.998   28.602    356.929   39.630    296.546   41.320    51.396  2.8906  46.762  3.3206  4.634071       4.402490 
1 1 1 -1  -13 34 o 57.179  2.2062  443.413   33.607    453.450   46.582    432.517   48.533    57.878  3.0152  56.480  3.2214  1.398106       4.412401 
1 1 1 -1  -13 35 o 36.137  2.2996  178.012   21.991    172.128   30.175    184.677   32.117    35.505  3.2076  36.768  3.2962  -1.262287      4.599258 
1 1 1 -1  -13 36 f 28.557  2.2190  106.810   16.123    152.610   25.859    77.679    20.623    33.437  2.9165  23.677  3.3450  9.759163       4.437941 
1 1 1 -1  -13 37 o 48.233  2.0697  320.794   26.136    294.218   39.873    340.815   34.608    46.364  3.2310  50.103  2.5876  -3.739872      4.139453 
1 1 1 -1  -13 38 o 53.819  2.1001  399.095   29.772    365.842   44.745    425.513   39.883    51.649  3.2510  55.989  2.6594  -4.339878      4.200178 
1 1 1 -1  -13 39 o 20.571  2.6991  56.578    14.023    83.215    22.943    40.694    17.717    24.329  3.6320  16.812  3.9936  7.516756       5.398222 
1 1 1 -1  -13 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -13 41 o 50.786  2.1480  350.930   28.708    392.741   45.187    322.632   37.174    53.209  3.1852  48.363  2.8828  4.845829       4.296072 
1 1 1 -1  -13 42 o 21.001  2.9163  62.299    15.353    75.297    25.725    55.108    19.134    22.550  4.4172  19.452  3.8088  3.097807       5.832572 
1 1 1 -1  -13 43 o 15.842  3.2642  38.012    14.260    36.383    24.711    38.826    17.462    15.573  5.1197  16.110  4.0508  -0.5366325     6.528413 
1 1 1 -1  -13 44 o 22.207  3.1633  88.593    17.760    37.949    29.841    116.370   22.100    15.761  5.6122  28.652  2.9205  -12.89179      6.326647 
1 1 1 -1  -13 45 o 6.5678  2.2407  -19.1974  11.014    -38.0147  21.298    -12.3271  12.869    6.8551  3.3659  6.2806  2.9585  0.5745497      4.481332 
1 1 1 -1  -13 46 o 15.023  3.5353  34.624    15.738    43.097    28.215    30.798    18.961    16.047  5.4738  13.999  4.4756  2.047408       7.070671 
1 1 1 -1  -13 47 o 12.151  3.0897  20.632    14.643    -6.3182   25.608    33.725    17.849    9.7670  4.4477  14.535  4.2898  -4.768219      6.179393 
1 1 1 -1  -13 48 o 12.440  3.3645  22.868    15.921    9.4924    28.564    28.896    19.177    11.491  4.9913  13.389  4.5129  -1.897501      6.729035 
1 1 1 -1  -13 49 o 16.451  3.5495  51.673    17.613    35.438    32.828    58.235    20.871    14.169  5.6816  18.734  4.2561  -4.565040      7.098951 
1 1 1 -1  -12 1  o 326.243 6.0609  14287.25  529.616   14195.34  749.390   14378.96  748.591   325.192 8.6036  327.294 8.5392  -2.102020      12.12187 
1 1 1 -1  -12 2  o 331.140 6.1580  14719.60  546.149   14922.31  772.922   14517.46  771.823   333.421 8.6547  328.858 8.7623  4.563477       12.31597 
1 1 1 -1  -12 3  f 242.750 4.5978  7904.00   298.800   8205.12   423.024   7604.19   422.112   247.370 6.3845  238.129 6.6180  9.241531       9.195640 
1 1 1 -1  -12 4  o 556.767 10.196  41771.83  1520.45   42114.77  2150.44   41429.02  2150.04   559.066 14.361  554.468 14.477  4.597778       20.39155 
1 1 1 -1  -12 5  o 244.786 4.6165  8036.12   302.595   7803.81   427.556   8269.26   428.313   241.236 6.6170  248.335 6.4392  -7.098373      9.233016 
1 1 1 -1  -12 6  o 605.136 11.081  49405.07  1795.65   48224.35  2538.31   50587.89  2540.55   597.847 15.851  612.426 15.488  -14.57825      22.16149 
1 1 1 -1  -12 7  o 393.073 7.2431  20757.69  762.536   20491.44  1077.92   21024.41  1078.86   390.543 10.305  395.604 10.182  -5.061096      14.48614 
1 1 1 -1  -12 8  o 417.536 7.6767  23432.26  858.481   23743.93  1214.06   23120.57  1214.09   420.323 10.784  414.750 10.929  5.573853       15.35346 
1 1 1 -1  -12 9  o 453.578 8.3338  27670.83  1012.46   27814.44  1431.76   27527.19  1431.93   454.760 11.754  452.395 11.817  2.364685       16.66762 
1 1 1 -1  -12 10 o 282.598 5.2144  10713.88  394.696   10753.20  558.056   10674.53  558.312   283.118 7.3590  282.078 7.3896  1.039551       10.42886 
1 1 1 -1  -12 11 o 598.784 10.973  48397.07  1759.87   48269.46  2488.70   48524.70  2488.97   597.988 15.538  599.579 15.498  -1.590881      21.94587 
1 1 1 -1  -12 12 o 293.207 5.4461  11537.42  427.688   11684.94  605.162   11390.22  604.523   295.083 7.6566  291.331 7.7471  3.752014       10.89226 
1 1 1 -1  -12 13 o 189.651 3.7028  4822.33   188.069   4745.06   266.366   4899.15   265.574   188.134 5.2860  191.168 5.1866  -3.034012      7.405547 
1 1 1 -1  -12 14 o 418.168 7.7239  23532.16  865.114   23620.29  1224.21   23444.25  1222.70   418.953 10.909  417.384 10.937  1.569244       15.44773 
1 1 1 -1  -12 15 o 541.867 10.017  39687.34  1453.84   40045.24  2057.21   39330.25  2054.86   544.327 14.110  539.406 14.223  4.920532       20.03436 
1 1 1 -1  -12 16 o 92.270  2.1753  1140.67   53.747    1145.65   76.968    1135.94   75.087    92.466  3.1077  92.074  3.0446  0.3914871      4.350592 
1 1 1 -1  -12 17 o 353.712 6.6065  16853.84  625.864   16646.61  886.036   17060.21  884.177   351.527 9.4103  355.897 9.2753  -4.369904      13.21304 
1 1 1 -1  -12 18 o 47.087  1.8179  298.784   22.776    280.483   32.708    316.012   31.735    45.672  2.6856  48.502  2.4507  -2.830692      3.635715 
1 1 1 -1  -12 19 o 251.765 4.8206  8530.71   324.970   8289.37   459.997   8771.17   459.158   248.192 6.9196  255.339 6.7136  -7.146744      9.641200 
1 1 1 -1  -12 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -12 21 o 84.985  2.1716  968.579   49.429    957.683   69.909    979.470   69.896    84.506  3.0886  85.463  3.0534  -0.9571457     4.343110 
1 1 1 -1  -12 22 o 84.276  2.1677  952.638   48.931    946.184   69.167    959.103   69.231    83.990  3.0746  84.562  3.0566  -0.5721741     4.335387 
1 1 1 -1  -12 23 o 66.613  1.9946  595.240   35.579    608.234   50.189    582.113   50.445    67.345  2.7824  65.881  2.8587  1.464508       3.989217 
1 1 1 -1  -12 24 o 138.844 2.9668  2590.90   110.315   2632.57   155.584   2548.77   156.437   139.972 4.1499  137.716 4.2410  2.255783       5.933579 
1 1 1 -1  -12 25 o 139.658 2.9886  2621.72   111.792   2619.59   157.499   2623.87   158.705   139.602 4.2121  139.713 4.2410  -0.1105652     5.977228 
1 1 1 -1  -12 26 o 228.967 4.4656  7082.01   273.864   7068.04   386.404   7096.11   388.207   228.742 6.3068  229.191 6.3238  -0.4484253     8.931152 
1 1 1 -1  -12 27 o 186.150 3.7398  4670.41   186.458   4686.91   262.644   4653.65   264.752   186.488 5.2581  185.812 5.3196  0.6764679      7.479656 
1 1 1 -1  -12 28 o 189.401 3.8064  4838.00   193.077   4728.64   271.810   4949.39   274.312   187.232 5.4200  191.571 5.3460  -4.339111      7.612852 
1 1 1 -1  -12 29 o 126.139 2.8204  2140.39   95.275    2146.41   133.622   2134.17   135.886   126.325 3.9491  125.954 4.0279  0.3714218      5.640841 
1 1 1 -1  -12 30 o 88.197  2.3667  1046.80   55.841    1082.05   78.005    1009.74   79.975    89.731  3.2456  86.662  3.4454  3.069199       4.733309 
1 1 1 -1  -12 31 o 57.003  2.1568  439.562   32.691    469.922   45.222    406.329   47.312    59.137  2.8550  54.870  3.2335  4.266796       4.313504 
1 1 1 -1  -12 32 o 41.202  3.5399  236.901   37.105    250.051   48.078    217.533   58.348    42.807  4.2494  39.597  5.6626  3.209518       7.079725 
1 1 1 -1  -12 33 o 22.160  2.9164  68.180    16.529    47.257    22.419    93.096    24.465    18.306  4.5828  26.014  3.6083  -7.708050      5.832876 
1 1 1 -1  -12 34 o 34.999  2.6365  162.890   23.286    151.939   28.615    184.360   40.066    33.383  3.2410  36.614  4.1593  -3.230362      5.272988 
1 1 1 -1  -12 35 o 50.234  2.0680  346.401   27.289    307.667   40.868    377.565   36.658    47.560  3.2272  52.908  2.5868  -5.347294      4.136008 
1 1 1 -1  -12 36 o 45.817  2.0022  283.768   24.293    297.228   36.829    273.402   32.321    46.748  2.9565  44.886  2.7009  1.862411       4.004490 
1 1 1 -1  -12 37 o 72.029  2.1669  703.523   41.659    725.949   61.940    685.001   56.292    73.038  3.1662  71.020  2.9592  2.018509       4.333778 
1 1 1 -1  -12 38 o 21.482  2.6378  63.050    14.370    76.369    23.163    54.717    18.321    23.278  3.8495  19.687  3.6074  3.590860       5.275650 
1 1 1 -1  -12 39 o 30.193  2.3287  127.888   18.023    118.360   28.182    134.482   23.445    29.088  3.7011  31.298  2.8272  -2.210140      4.657353 
1 1 1 -1  -12 40 o 29.697  6.3789  134.322   49.227    134.322   49.227    0.0000    0.0000    29.697  6.3789  ?       ?       ?              ?        
1 1 1 -1  -12 41 o 27.590  2.6659  110.637   18.203    98.518    29.668    117.953   23.052    26.048  4.4097  29.132  2.9970  -3.083599      5.331740 
1 1 1 -1  -12 42 o 47.302  2.2105  308.350   27.440    333.008   43.249    291.736   35.501    48.745  3.3324  45.858  2.9052  2.886856       4.421028 
1 1 1 -1  -12 43 o 50.095  2.3474  359.498   30.428    329.657   47.687    379.990   39.517    47.959  3.7419  52.231  2.8353  -4.271553      4.694777 
1 1 1 -1  -12 44 f 40.796  2.3629  237.082   24.972    243.795   40.026    232.804   31.954    40.988  3.6853  40.605  2.9584  0.3829880      4.725824 
1 1 1 -1  -12 45 o 20.075  3.2431  58.747    16.358    81.748    28.665    47.640    19.920    22.654  4.8692  17.495  4.2850  5.158268       6.486106 
1 1 1 -1  -12 46 o 28.330  2.9328  122.619   20.307    123.708   34.818    122.058   24.999    27.783  4.8556  28.878  3.2906  -1.095533      5.865611 
1 1 1 -1  -12 47 o 18.781  3.4305  50.896    16.797    87.162    30.342    34.871    20.169    22.871  5.0847  14.691  4.6065  8.179127       6.861051 
1 1 1 -1  -12 48 o 15.603  3.5724  34.364    16.768    67.738    30.059    19.287    20.204    19.418  5.5190  11.787  4.5374  7.631106       7.144720 
1 1 1 -1  -12 49 o 8.0281  2.7097  -16.3479  13.990    -9.0199   26.780    -19.0982  16.406    9.4636  4.3953  6.5927  3.1701  2.870892       5.419310 
1 1 1 -1  -11 1  o 206.026 3.9932  5689.79   220.360   5682.94   312.022   5696.60   311.251   205.902 5.6576  206.150 5.6369  -0.2479248     7.986451 
1 1 1 -1  -11 2  o 151.175 3.0697  3062.31   124.299   3063.88   176.057   3060.76   175.515   151.214 4.3468  151.137 4.3357  0.7667542E-01  6.139457 
1 1 1 -1  -11 3  o 510.894 9.3871  35134.82  1284.26   36006.37  1816.99   34264.74  1815.45   517.256 13.115  504.531 13.434  12.72516       18.77413 
1 1 1 -1  -11 4  o 366.611 6.7493  18046.60  662.753   18099.37  937.229   17993.82  937.319   367.148 9.5305  366.073 9.5594  1.074860       13.49860 
1 1 1 -1  -11 5  o 473.787 8.7108  30196.26  1105.23   29518.95  1562.28   30874.88  1563.78   468.446 12.451  479.129 12.185  -10.68280      17.42159 
1 1 1 -1  -11 6  o 406.116 7.5017  22159.64  816.016   22138.12  1153.75   22181.19  1154.29   405.918 10.612  406.313 10.606  -0.3953247     15.00342 
1 1 1 -1  -11 7  o 208.924 4.0051  5851.11   224.126   5855.55   316.741   5846.66   317.182   209.003 5.6580  208.844 5.6702  0.1590881      8.010230 
1 1 1 -1  -11 8  o 208.199 3.9997  5810.60   223.049   5817.79   315.250   5803.38   315.627   208.328 5.6496  208.070 5.6634  0.2585144      7.999498 
1 1 1 -1  -11 9  o 300.257 5.5543  12096.74  446.633   12331.74  631.674   11861.80  631.594   303.179 7.7787  297.336 7.9305  5.843292       11.10859 
1 1 1 -1  -11 10 o 311.272 5.7726  13001.61  481.280   12939.64  680.555   13063.61  680.709   310.528 8.1822  312.015 8.1451  -1.486786      11.54522 
1 1 1 -1  -11 11 o 341.922 6.3662  15695.89  583.005   15886.39  824.774   15505.64  824.213   344.000 8.9513  339.844 9.0546  4.156891       12.73235 
1 1 1 -1  -11 12 f 489.586 9.0345  32264.09  1184.70   32563.55  1676.06   31965.08  1674.79   491.866 12.722  487.305 12.831  4.561859       18.06902 
1 1 1 -1  -11 13 f 300.176 5.6124  12092.02  451.243   12136.72  638.881   12047.52  637.429   300.730 7.9315  299.622 7.9427  1.108032       11.22474 
1 1 1 -1  -11 14 o 335.570 6.2579  15122.00  562.469   15111.77  796.356   15132.19  794.549   335.456 8.8630  335.685 8.8369  -0.2292480     12.51577 
1 1 1 -1  -11 15 o 302.246 5.6863  12264.82  460.333   12211.35  651.950   12317.99  650.072   301.586 8.0708  302.905 8.0125  -1.319458      11.37262 
1 1 1 -1  -11 16 o 153.089 3.1146  3141.27   127.710   3150.29   181.541   3132.44   179.690   153.306 4.4211  152.873 4.3884  0.4338684      6.229263 
1 1 1 -1  -11 17 o 296.032 5.5696  11775.32  441.592   11638.70  625.158   11911.38  623.855   294.311 7.9304  297.752 7.8224  -3.441010      11.13916 
1 1 1 -1  -11 18 o 172.270 3.4367  3980.62   158.579   3985.87   224.637   3975.40   223.894   172.383 4.8652  172.157 4.8554  0.2260437      6.873497 
1 1 1 -1  -11 19 o 236.018 4.5280  7485.62   286.248   7459.78   404.919   7511.44   404.713   235.609 6.4163  236.427 6.3909  -0.8175964     9.056087 
1 1 1 -1  -11 20 o 210.793 4.1029  5972.00   231.624   5864.86   327.369   6079.41   327.763   208.893 5.8509  212.693 5.7533  -3.799042      8.205728 
1 1 1 -1  -11 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -11 22 o 222.224 4.3179  6650.41   257.006   6669.32   363.030   6631.41   363.894   222.544 6.0903  221.904 6.1224  0.6397552      8.635704 
1 1 1 -1  -11 23 o 53.285  1.8867  381.784   26.830    402.812   37.710    360.229   38.180    54.813  2.5686  51.757  2.7641  3.056198       3.773324 
1 1 1 -1  -11 24 o 146.724 3.0747  2893.24   120.829   2899.61   170.150   2886.76   171.617   146.890 4.3247  146.558 4.3718  0.3314514      6.149415 
1 1 1 -1  -11 25 o 258.750 4.9928  9056.66   345.993   9179.31   488.445   8933.14   490.177   260.531 6.9995  256.970 7.1217  3.561096       9.985550 
1 1 1 -1  -11 26 o 160.026 3.3315  3446.46   142.771   3498.78   200.996   3393.18   202.833   161.262 4.6534  158.791 4.7690  2.470474       6.663090 
1 1 1 -1  -11 27 o 166.568 3.4492  3734.97   153.877   3678.88   216.414   3792.31   218.836   165.301 4.8879  167.834 4.8680  -2.532623      6.898459 
1 1 1 -1  -11 28 o 62.328  2.1082  521.487   35.160    524.393   48.723    518.328   50.788    62.512  2.9099  62.143  3.0513  0.3687096      4.216355 
1 1 1 -1  -11 29 o 153.823 3.2659  3188.11   134.501   3262.66   189.044   3111.70   191.404   155.660 4.5342  151.986 4.7018  3.674927       6.531858 
1 1 1 -1  -11 30 o 160.543 3.3957  3478.10   145.953   3564.35   205.188   3389.78   207.652   162.580 4.7119  158.507 4.8910  4.073441       6.791470 
1 1 1 -1  -11 31 o 124.563 2.8616  2090.77   95.461    2073.52   133.669   2108.74   136.377   124.043 4.0232  125.083 4.0706  -1.039764      5.723244 
1 1 1 -1  -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -11 33 o 38.499  2.0402  200.779   20.744    199.251   31.111    202.002   27.835    38.342  3.0547  38.656  2.7054  -0.3147011     4.080474 
1 1 1 -1  -11 34 o 34.577  2.0729  157.893   18.627    208.943   28.910    121.657   24.356    39.284  2.7652  29.870  3.0889  9.413397       4.145762 
1 1 1 -1  -11 35 o 58.184  2.0463  454.884   31.755    482.413   47.622    432.842   42.612    59.747  2.9758  56.622  2.8097  3.125244       4.092628 
1 1 1 -1  -11 36 o 45.154  2.0263  274.607   24.172    294.884   37.154    259.725   31.829    46.562  2.9950  43.745  2.7301  2.816910       4.052603 
1 1 1 -1  -11 37 o 75.394  2.1791  767.923   43.854    830.059   65.417    717.208   59.100    78.131  3.1259  72.657  3.0368  5.474335       4.358166 
1 1 1 -1  -11 38 o 13.577  2.6823  26.800    11.513    4.8419    18.428    40.860    14.745    10.143  4.1857  17.011  3.3553  -6.868063      5.364518 
1 1 1 -1  -11 39 o 24.519  2.5452  79.771    15.748    111.903   25.778    60.637    19.892    28.352  3.4666  20.685  3.7275  7.667553       5.090333 
1 1 1 -1  -11 40 o 17.587  3.6573  36.134    19.180    14.783    23.686    76.795    32.687    12.479  4.8823  22.694  5.4467  -10.21460      7.314577 
1 1 1 -1  -11 41 o 25.134  2.6672  90.519    16.612    87.696    27.604    92.122    20.800    24.580  4.3521  25.688  3.0848  -1.108021      5.334464 
1 1 1 -1  -11 42 o 12.200  3.1306  18.943    13.171    10.047    23.038    23.262    16.053    11.563  4.7150  12.837  4.1196  -1.273681      6.261183 
1 1 1 -1  -11 43 o 28.568  2.9007  125.960   19.858    96.823    32.411    143.473   25.127    25.166  4.9845  31.970  2.9683  -6.803692      5.801359 
1 1 1 -1  -11 44 f 29.399  2.7128  127.419   19.716    124.225   33.175    129.163   24.515    28.667  4.4660  30.132  3.0809  -1.464384      5.425539 
1 1 1 -1  -11 45 o 45.019  2.4269  295.320   28.026    287.965   45.409    299.845   35.620    44.079  3.8858  45.959  2.9086  -1.879997      4.853821 
1 1 1 -1  -11 46 o 29.454  2.8488  131.478   20.791    132.384   34.914    130.981   25.880    28.963  4.6586  29.945  3.2804  -0.9822235     5.697656 
1 1 1 -1  -11 47 f 13.475  3.3421  18.683    14.686    52.764    27.535    5.1328    17.361    17.521  5.3642  9.4286  3.9880  8.092182       6.684206 
1 1 1 -1  -11 48 o 25.573  3.4055  109.126   21.061    104.552   36.618    111.387   25.745    24.103  5.7521  27.043  3.6473  -2.939974      6.810931 
1 1 1 -1  -11 49 o 31.749  3.2552  168.322   24.449    164.152   43.223    170.284   29.647    30.015  5.5819  33.484  3.3506  -3.468960      6.510301 
1 1 1 -1  -10 1  o 609.233 11.204  50070.04  1828.05   50983.74  2586.35   49157.89  2584.16   614.826 15.705  603.640 15.983  11.18530       22.40772 
1 1 1 -1  -10 2  o 436.983 8.0334  25672.84  940.042   26342.29  1330.21   25004.98  1328.64   442.694 11.218  431.271 11.502  11.42365       16.06679 
1 1 1 -1  -10 3  o 282.628 5.3078  10715.37  401.804   10733.52  568.252   10697.23  568.220   282.867 7.5001  282.388 7.5124  0.4793091      10.61550 
1 1 1 -1  -10 4  o 265.617 4.9846  9462.69   354.622   9395.25   501.289   9530.24   501.733   264.669 7.0713  266.566 7.0271  -1.896973      9.969119 
1 1 1 -1  -10 5  o 418.833 7.7037  23578.02  864.119   23121.81  1221.48   24035.07  1222.61   414.763 10.995  422.902 10.793  -8.139404      15.40748 
1 1 1 -1  -10 6  o 325.862 6.0292  14252.60  526.204   14450.78  744.112   14054.37  744.217   328.133 8.4664  323.592 8.5864  4.541718       12.05848 
1 1 1 -1  -10 7  o 321.248 5.9961  13851.19  515.920   13978.38  729.480   13723.91  729.764   322.727 8.4390  319.770 8.5203  2.957611       11.99216 
1 1 1 -1  -10 8  o 286.948 5.3476  11047.65  410.917   11316.48  581.190   10778.94  581.060   290.444 7.4708  283.451 7.6534  6.993835       10.69519 
1 1 1 -1  -10 9  o 445.362 8.1934  26670.38  977.387   26752.26  1382.26   26588.50  1382.21   446.048 11.570  444.676 11.605  1.372742       16.38687 
1 1 1 -1  -10 10 o 142.709 2.9116  2728.94   111.289   2707.67   157.494   2750.15   157.280   142.154 4.1364  143.265 4.0987  -1.111526      5.823111 
1 1 1 -1  -10 11 f 260.605 4.8693  9108.22   339.887   9172.10   481.129   9044.58   480.217   261.518 6.8686  259.692 6.9038  1.826111       9.738643 
1 1 1 -1  -10 12 o 288.135 5.3862  11138.24  415.640   11353.40  588.676   10924.35  586.936   290.914 7.5548  285.356 7.6792  5.557892       10.77239 
1 1 1 -1  -10 13 o 241.623 4.5879  7829.37   296.895   7737.78   420.710   7920.23   419.042   240.213 6.5388  243.033 6.4373  -2.820297      9.175760 
1 1 1 -1  -10 14 o 39.712  1.8097  211.621   19.109    230.920   27.714    194.133   26.382    41.444  2.5084  37.979  2.6092  3.464672       3.619443 
1 1 1 -1  -10 15 o 115.394 2.5226  1784.22   77.959    1774.22   110.995   1793.96   109.520   115.074 3.6011  115.714 3.5336  -0.6393814     5.045238 
1 1 1 -1  -10 16 o 153.706 3.1323  3166.92   128.933   3111.28   182.805   3221.99   181.875   152.362 4.4794  155.051 4.3793  -2.689728      6.264500 
1 1 1 -1  -10 17 o 199.458 3.8950  5335.35   208.070   5260.20   294.372   5410.38   294.138   198.052 5.5492  200.863 5.4672  -2.811279      7.789941 
1 1 1 -1  -10 18 o 189.468 3.7224  4815.01   188.894   4746.83   267.034   4883.29   267.240   188.123 5.2995  190.812 5.2289  -2.688782      7.444833 
1 1 1 -1  -10 19 o 464.202 8.6279  29159.03  1072.62   28609.42  1516.22   29709.65  1517.61   459.780 12.312  468.624 12.091  -8.844574      17.25585 
1 1 1 -1  -10 20 o 184.331 3.6635  4562.08   180.848   4651.91   255.463   4471.83   256.054   186.156 5.1235  182.507 5.2380  3.648422       7.327082 
1 1 1 -1  -10 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -10 22 o 64.409  1.9639  556.353   33.869    564.961   47.512    547.459   48.294    64.917  2.7325  63.901  2.8216  1.015572       3.927828 
1 1 1 -1  -10 23 o 224.752 4.3765  6806.11   263.462   6753.54   371.679   6859.20   373.510   223.878 6.1982  225.626 6.1805  -1.748398      8.753098 
1 1 1 -1  -10 24 o 145.219 3.0638  2833.68   119.166   2834.89   167.684   2832.44   169.382   145.253 4.3100  145.185 4.3557  0.6802368E-01  6.127651 
1 1 1 -1  -10 25 o 24.322  2.3556  80.913    14.648    62.451    20.124    101.717   21.362    21.267  3.6651  27.377  2.9603  -6.109930      4.711268 
1 1 1 -1  -10 26 o 91.127  2.3251  1114.57   56.739    1112.23   79.351    1117.02   81.162    91.031  3.2544  91.223  3.3217  -0.1916733     4.650249 
1 1 1 -1  -10 27 o 54.484  2.1078  403.167   30.330    456.201   42.069    345.766   43.766    58.318  2.6932  50.650  3.2431  7.668068       4.215568 
1 1 1 -1  -10 28 o 109.466 2.6111  1610.79   76.511    1646.47   107.122   1573.62   109.316   110.712 3.6124  108.220 3.7713  2.491699       5.222247 
1 1 1 -1  -10 29 o 134.240 2.9718  2426.18   106.770   2510.95   149.995   2339.11   152.016   136.634 4.0985  131.847 4.3046  4.787125       5.943676 
1 1 1 -1  -10 30 o 54.820  2.1158  404.530   30.937    397.777   43.009    411.770   44.533    54.348  2.9658  55.293  3.0184  -0.9450684     4.231580 
1 1 1 -1  -10 31 o 208.697 4.1230  5904.86   230.436   6057.38   328.363   5756.86   323.463   211.365 5.8001  206.028 5.8615  5.336685       8.246086 
1 1 1 -1  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -10 33 o 38.500  2.0991  199.335   21.288    210.701   32.696    190.971   28.048    39.429  3.1215  37.570  2.8075  1.858604       4.198277 
1 1 1 -1  -10 34 o 43.950  2.0002  259.312   23.221    276.296   35.658    246.806   30.598    45.173  2.9634  42.727  2.6874  2.446499       4.000491 
1 1 1 -1  -10 35 o 33.419  2.0630  150.191   18.121    165.010   27.957    139.454   23.796    34.814  3.0282  32.024  2.8024  2.790199       4.125981 
1 1 1 -1  -10 36 o 32.529  2.1059  142.747   17.920    154.990   28.038    134.292   23.301    33.668  3.1456  31.390  2.8007  2.278021       4.211762 
1 1 1 -1  -10 37 o 26.267  2.3179  95.147    15.562    96.013    24.858    94.589    19.957    26.278  3.6285  26.256  2.8853  0.2150345E-01  4.635854 
1 1 1 -1  -10 38 o 25.546  2.4177  88.454    15.724    100.685   25.844    81.266    19.812    26.860  3.6896  24.232  3.1253  2.628485       4.835413 
1 1 1 -1  -10 39 o 38.548  2.1403  199.071   21.610    234.375   34.264    175.752   27.847    41.304  3.1202  35.792  2.9304  5.511627       4.280547 
1 1 1 -1  -10 40 f 19.900  3.7796  61.166    20.959    73.005    26.619    41.854    33.997    22.404  4.5902  17.396  6.0058  5.008303       7.559104 
1 1 1 -1  -10 41 o 20.114  2.9735  58.426    14.878    60.315    25.383    57.437    18.363    20.164  4.7737  20.064  3.5468  0.1005211      5.947055 
1 1 1 -1  -10 42 o 10.570  2.9833  6.8673    12.138    18.460    21.501    1.4438    14.706    12.533  4.7144  8.6068  3.6570  3.925994       5.966516 
1 1 1 -1  -10 43 o 18.355  3.3290  52.345    16.093    46.475    27.229    55.497    19.951    17.341  5.3385  19.369  3.9787  -2.028166      6.658087 
1 1 1 -1  -10 44 o 17.381  3.1368  52.038    15.776    20.260    27.556    67.530    19.241    13.230  5.2380  21.533  3.4527  -8.302647      6.273561 
1 1 1 -1  -10 45 o 27.203  2.8849  108.284   19.671    124.821   33.143    99.291    24.441    28.465  4.4964  25.941  3.6158  2.523523       5.769885 
1 1 1 -1  -10 46 o 15.864  3.4490  41.668    15.930    34.201    28.126    45.194    19.330    14.782  5.4234  16.946  4.2626  -2.163841      6.898012 
1 1 1 -1  -10 47 f 15.172  4.1569  36.979    24.180    41.373    31.409    30.587    37.884    15.688  5.7349  14.655  6.0191  1.032730       8.313780 
1 1 1 -1  -10 48 o 15.532  3.5704  42.397    17.077    31.937    31.163    46.886    20.415    14.179  5.5840  16.885  4.4509  -2.705534      7.140863 
1 1 1 -1  -10 49 f 16.592  3.6955  52.310    18.613    41.624    32.907    57.337    22.570    14.909  5.7763  18.274  4.6111  -3.365138      7.391066 
1 1 1 -1  -9  1  o 263.734 4.9727  9329.15   351.268   9406.61   497.164   9251.94   496.373   264.828 7.0088  262.639 7.0560  2.188904       9.945411 
1 1 1 -1  -9  2  o 339.060 6.3043  15434.16  572.500   15632.79  809.953   15235.85  809.323   341.245 8.8614  336.875 8.9694  4.370117       12.60855 
1 1 1 -1  -9  3  o 404.076 7.4456  21943.42  805.761   22315.11  1139.73   21572.00  1139.31   407.509 10.442  400.644 10.617  6.865448       14.89119 
1 1 1 -1  -9  4  o 317.111 5.8945  13498.11  500.575   13797.80  707.959   13198.48  707.881   320.638 8.2433  313.582 8.4279  7.055969       11.78908 
1 1 1 -1  -9  5  o 330.457 6.1471  14659.66  544.068   14499.54  769.116   14820.05  769.740   328.646 8.7372  332.267 8.6490  -3.620483      12.29411 
1 1 1 -1  -9  6  o 392.570 7.2612  20708.67  763.451   21010.18  1079.71   20407.19  1079.65   395.437 10.194  389.702 10.343  5.734528       14.52245 
1 1 1 -1  -9  7  o 289.022 5.3908  11208.20  417.289   11373.46  590.108   11042.92  590.162   291.157 7.5669  286.887 7.6802  4.269867       10.78159 
1 1 1 -1  -9  8  o 167.562 3.2397  3762.94   145.386   3826.34   205.632   3699.57   205.583   168.975 4.5434  166.150 4.6195  2.824570       6.479374 
1 1 1 -1  -9  9  o 217.298 4.1395  6330.91   240.896   6457.29   340.887   6204.84   340.470   219.467 5.7990  215.130 5.9087  4.337143       8.278918 
1 1 1 -1  -9  10 f 247.605 4.6933  8222.95   311.172   8466.02   440.626   7981.11   439.502   251.261 6.5472  243.950 6.7262  7.310837       9.386596 
1 1 1 -1  -9  11 o 171.383 3.3507  3936.70   153.740   4093.80   218.221   3781.89   216.629   174.779 4.6614  167.986 4.8146  6.793915       6.701396 
1 1 1 -1  -9  12 o 378.715 7.0430  19267.23  714.340   18936.46  1010.83   19597.21  1009.63   375.458 10.051  381.973 9.8682  -6.515198      14.08594 
1 1 1 -1  -9  13 o 262.032 4.9515  9209.14   347.508   9140.59   492.215   9277.26   490.690   261.058 7.0393  263.006 6.9655  -1.948456      9.903025 
1 1 1 -1  -9  14 o 392.716 7.2755  20722.03  765.245   20463.36  1082.72   20980.23  1081.73   390.258 10.358  395.173 10.220  -4.914948      14.55097 
1 1 1 -1  -9  15 o 269.854 5.0994  9769.77   368.525   9572.43   521.314   9966.89   521.033   267.126 7.2861  272.583 7.1364  -5.457520      10.19876 
1 1 1 -1  -9  16 o 319.511 5.9726  13707.00  511.043   13400.19  722.515   14014.16  722.932   315.924 8.5384  323.098 8.3536  -7.173828      11.94517 
1 1 1 -1  -9  17 o 41.488  1.8530  231.970   20.401    207.475   28.737    256.859   28.968    39.258  2.7503  43.718  2.4840  -4.460564      3.705984 
1 1 1 -1  -9  18 o 272.249 5.1569  9950.88   376.048   9948.89   531.424   9952.88   532.201   272.222 7.2883  272.276 7.2976  -0.5371094E-01 10.31380 
1 1 1 -1  -9  19 o 85.159  2.1584  972.283   49.206    1001.62   69.241    942.353   69.940    86.458  2.9900  83.859  3.1137  2.598732       4.316864 
1 1 1 -1  -9  20 o 207.563 4.0508  5784.78   225.199   5818.40   317.838   5750.89   319.126   208.172 5.7003  206.955 5.7570  1.216629       8.101618 
1 1 1 -1  -9  21 o 171.123 3.4619  3931.58   158.667   3962.54   223.658   3900.22   225.127   171.805 4.8603  170.442 4.9313  1.362427       6.923870 
1 1 1 -1  -9  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -9  23 o 94.905  2.3316  1208.92   59.236    1241.33   83.174    1175.56   84.384    96.199  3.2279  93.610  3.3655  2.589729       4.663270 
1 1 1 -1  -9  24 o 69.857  2.0556  655.062   38.427    673.660   53.730    635.590   54.980    70.875  2.8303  68.838  2.9819  2.036964       4.111244 
1 1 1 -1  -9  25 o 323.522 6.1477  14217.76  532.697   14016.31  752.294   14420.34  754.404   321.197 8.7443  325.847 8.6437  -4.649506      12.29544 
1 1 1 -1  -9  26 o 78.942  2.1868  835.821   46.225    806.970   64.660    865.978   66.107    77.548  3.1130  80.335  3.0722  -2.787323      4.373687 
1 1 1 -1  -9  27 o 254.571 4.9523  8771.14   337.672   8795.66   476.542   8746.42   478.546   254.938 6.9788  254.204 7.0283  0.7334290      9.904574 
1 1 1 -1  -9  28 o 51.731  2.1135  361.441   29.062    380.867   40.275    340.335   41.979    53.204  2.8364  50.258  3.1341  2.946552       4.227002 
1 1 1 -1  -9  29 o 66.354  2.0533  590.534   36.423    596.412   53.288    585.380   49.899    66.659  2.9845  66.048  2.8206  0.6115112      4.106514 
1 1 1 -1  -9  30 o 116.276 2.6261  1816.00   81.745    1883.34   117.902   1753.66   113.437   118.349 3.7193  114.203 3.7084  4.146011       5.252216 
1 1 1 -1  -9  31 o 62.362  2.0479  522.496   34.060    521.263   50.530    523.523   46.110    62.285  3.0288  62.438  2.7572  -0.1524277     4.095798 
1 1 1 -1  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -9  33 o 40.322  2.0650  217.042   21.981    244.058   33.740    197.119   28.975    42.475  2.9846  38.169  2.8548  4.306690       4.130077 
1 1 1 -1  -9  34 o 49.626  2.0856  337.414   27.135    304.667   41.024    362.883   36.179    47.398  3.2511  51.855  2.6132  -4.457352      4.171148 
1 1 1 -1  -9  35 f 45.767  2.0209  278.375   24.407    330.627   37.695    240.654   32.027    49.407  2.8607  42.127  2.8552  7.280060       4.041739 
1 1 1 -1  -9  36 o 37.473  2.0959  190.230   20.575    197.449   32.103    185.197   26.802    38.029  3.1809  36.917  2.7299  1.112312       4.191779 
1 1 1 -1  -9  37 o 88.513  2.3339  1061.21   55.170    1140.29   81.941    995.638   74.617    91.495  3.3436  85.532  3.2570  5.963295       4.667766 
1 1 1 -1  -9  38 f 52.862  2.0944  376.920   29.252    411.688   45.271    351.997   38.329    54.895  3.0915  50.830  2.8264  4.064159       4.188776 
1 1 1 -1  -9  39 o 26.922  2.6857  108.036   17.394    80.420    28.082    125.227   22.156    23.626  4.6030  30.217  2.7682  -6.591108      5.371313 
1 1 1 -1  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -9  41 o 30.224  2.4006  121.938   18.576    156.294   30.976    102.645   23.213    33.375  3.5180  27.072  3.2673  6.303291       4.801233 
1 1 1 -1  -9  42 o 7.7480  2.4397  -9.2339   11.350    -39.7496  20.264    4.7159    13.701    6.6390  3.2645  8.8570  3.6266  -2.218005      4.879484 
1 1 1 -1  -9  43 o 17.672  3.1609  51.586    15.450    27.603    26.543    63.877    19.001    14.321  5.2664  21.023  3.4973  -6.702015      6.321825 
1 1 1 -1  -9  44 o 8.9064  2.7121  1.9767    11.171    -5.3548   20.635    5.0161    13.286    9.1147  4.0860  8.6981  3.5676  0.4165955      5.424287 
1 1 1 -1  -9  45 o 16.886  3.5062  44.743    16.102    48.616    28.830    42.987    19.412    17.164  5.5221  16.607  4.3221  0.5565605      7.012451 
1 1 1 -1  -9  46 o 9.6609  2.9898  2.2066    13.322    0.6595    25.917    2.7622    15.531    10.551  4.6631  8.7710  3.7432  1.779730       5.979605 
1 1 1 -1  -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -9  48 o 6.8179  2.3859  -27.8920  12.424    -28.8153  25.700    -27.6104  14.192    8.1592  3.9342  5.4766  2.7005  2.682632       4.771842 
1 1 1 -1  -9  49 o 13.303  3.5027  30.523    16.912    15.960    32.709    35.837    19.758    12.178  5.3146  14.428  4.5640  -2.250576      7.005387 
1 1 1 -1  -8  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  8  o 410.348 10.729  22719.52  1179.21   22588.12  1665.49   22851.61  1669.84   409.154 15.197  411.543 15.149  -2.389282      21.45777 
1 1 1 -1  -8  9  o 397.438 7.3456  21227.81  781.948   21402.01  1106.33   21053.93  1105.35   399.072 10.350  395.804 10.426  3.268555       14.69127 
1 1 1 -1  -8  10 o 550.594 10.123  40865.15  1492.77   40470.45  2111.51   41259.55  2110.68   547.918 14.388  553.270 14.243  -5.352173      20.24505 
1 1 1 -1  -8  11 o 842.214 15.596  96453.23  3517.55   94395.43  4973.85   98512.20  4975.27   833.091 22.290  851.336 21.819  -18.24561      31.19131 
1 1 1 -1  -8  12 o 163.266 3.2519  3572.12   142.206   3580.07   201.812   3564.28   200.415   163.446 4.6098  163.086 4.5880  0.3601990      6.503875 
1 1 1 -1  -8  13 o 560.906 10.316  42406.51  1549.85   42289.91  2192.20   42523.02  2191.45   560.130 14.612  561.683 14.566  -1.552917      20.63205 
1 1 1 -1  -8  14 o 103.689 2.3626  1440.36   65.617    1437.50   92.859    1443.21   92.733    103.586 3.3468  103.792 3.3357  -0.2058792     4.725259 
1 1 1 -1  -8  15 o 224.393 4.3284  6751.13   260.151   6756.57   367.706   6745.68   368.111   224.484 6.1154  224.302 6.1271  0.1815033      8.656795 
1 1 1 -1  -8  16 o 447.476 8.2561  26935.35  989.492   26616.36  1398.72   27254.92  1399.99   444.813 11.740  450.138 11.612  -5.325958      16.51219 
1 1 1 -1  -8  17 o 335.150 6.2661  15085.68  562.488   15183.66  795.004   14987.47  795.953   336.243 8.8273  334.056 8.8957  2.186615       12.53211 
1 1 1 -1  -8  18 o 378.359 7.0364  19251.80  713.049   19013.05  1007.57   19491.33  1009.24   376.000 10.005  380.717 9.8970  -4.716797      14.07272 
1 1 1 -1  -8  19 o 206.396 4.0229  5714.69   222.393   5657.67   313.783   5772.25   315.245   205.360 5.7046  207.431 5.6739  -2.071030      8.045869 
1 1 1 -1  -8  20 o 162.410 3.3163  3538.41   144.244   3584.82   203.402   3491.45   204.588   163.484 4.6450  161.336 4.7343  2.147858       6.632525 
1 1 1 -1  -8  21 o 93.644  2.2948  1175.59   57.555    1177.09   80.886    1174.05   81.913    93.705  3.2227  93.583  3.2679  0.1222839      4.589639 
1 1 1 -1  -8  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  23 f 249.708 4.8150  8407.24   322.037   8465.88   454.762   8348.26   456.100   250.590 6.7754  248.826 6.8434  1.763535       9.630069 
1 1 1 -1  -8  24 f 122.464 2.7296  2013.99   89.516    2047.44   125.987   1979.89   127.212   123.495 3.8088  121.433 3.9111  2.062035       5.459265 
1 1 1 -1  -8  25 o 30.401  2.0361  125.134   16.348    126.142   22.481    124.004   23.816    30.543  2.7784  30.259  2.9771  0.2839546      4.072167 
1 1 1 -1  -8  26 o 114.976 3.1630  1753.68   92.535    1703.45   113.491   1853.29   159.826   112.621 3.7623  117.332 5.0856  -4.711029      6.326005 
1 1 1 -1  -8  27 o 158.438 3.3120  3381.70   140.375   3226.96   200.126   3531.57   196.953   154.843 4.8253  162.032 4.5381  -7.189728      6.624016 
1 1 1 -1  -8  28 o 143.934 2.9971  2785.04   115.153   3100.81   165.297   2487.29   160.512   151.882 4.0632  135.985 4.4068  15.89687       5.994144 
1 1 1 -1  -8  29 o 95.427  2.3893  1224.14   60.967    1200.82   88.337    1245.36   84.248    94.550  3.4881  96.305  3.2660  -1.755112      4.778510 
1 1 1 -1  -8  30 o 22.633  2.5138  69.492    14.634    80.632    22.287    61.048    19.403    24.242  3.5365  21.023  3.5736  3.219000       5.027677 
1 1 1 -1  -8  31 o 94.867  2.3541  1206.96   59.742    1285.17   86.984    1137.13   82.195    97.770  3.3216  91.965  3.3368  5.804932       4.708219 
1 1 1 -1  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  33 o 66.837  2.1186  599.532   37.808    623.768   56.146    579.426   51.140    68.059  3.0800  65.615  2.9098  2.444275       4.237139 
1 1 1 -1  -8  34 o 28.796  2.2361  110.721   16.758    134.893   25.954    93.439    21.946    31.470  3.1202  26.122  3.2038  5.348400       4.472164 
1 1 1 -1  -8  35 o 32.042  2.1247  137.012   17.821    161.042   27.814    120.280   23.210    34.387  3.0515  29.697  2.9572  4.690083       4.249333 
1 1 1 -1  -8  36 o 24.419  2.6884  90.879    15.633    54.756    24.236    116.617   20.458    19.573  4.6852  29.265  2.6382  -9.692453      5.376896 
1 1 1 -1  -8  37 o 62.932  2.1608  540.660   36.010    522.777   54.216    554.778   48.171    61.887  3.2824  63.976  2.8111  -2.089191      4.321628 
1 1 1 -1  -8  38 o 14.585  2.8217  32.172    12.300    11.141    20.462    44.070    15.390    11.488  4.5246  17.682  3.3726  -6.194166      5.643305 
1 1 1 -1  -8  39 o 36.514  2.2311  183.184   21.167    185.345   33.486    181.746   27.317    36.596  3.4571  36.432  2.8214  0.1635323      4.462281 
1 1 1 -1  -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  41 f 36.612  2.2689  176.996   21.421    242.696   35.000    137.645   27.087    41.829  3.1470  31.394  3.2692  10.43527       4.537766 
1 1 1 -1  -8  42 o 14.985  3.1298  34.804    14.225    15.349    24.574    44.607    17.444    12.506  4.9480  17.464  3.8342  -4.958303      6.259699 
1 1 1 -1  -8  43 o 47.046  2.3902  315.267   29.068    305.045   46.344    321.897   37.322    46.086  3.7879  48.007  2.9163  -1.920498      4.780467 
1 1 1 -1  -8  44 o 47.373  2.3358  314.482   28.802    349.327   46.691    293.079   36.593    49.217  3.5660  45.528  3.0179  3.689240       4.671619 
1 1 1 -1  -8  45 o 13.155  3.3139  20.984    13.900    38.878    25.437    13.365    16.597    15.622  5.1971  10.688  4.1130  4.934298       6.627736 
1 1 1 -1  -8  46 o 14.257  3.3380  24.222    14.596    54.792    26.787    11.314    17.407    18.108  5.2300  10.405  4.1493  7.702568       6.676082 
1 1 1 -1  -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -8  48 o 14.146  3.4023  15.472    16.113    71.384    31.186    -4.8892   18.819    19.821  5.6173  8.4714  3.8403  11.34947       6.804574 
1 1 1 -1  -8  49 o 7.5411  2.5025  -15.3157  13.588    -64.3977  27.722    0.2069    15.590    6.8949  3.4586  8.1873  3.6177  -1.292408      5.004938 
1 1 1 -1  -7  1  o 291.396 5.4624  11397.03  426.195   11750.07  603.220   11045.13  602.243   295.911 7.6107  286.880 7.8376  9.030975       10.92476 
1 1 1 -1  -7  2  o 138.798 2.8376  2581.49   105.492   2577.89   149.173   2585.09   149.203   138.702 4.0153  138.895 4.0105  -0.1936035     5.675129 
1 1 1 -1  -7  3  f 86.565  2.0095  1004.02   46.584    1023.51   65.754    984.378   66.007    87.409  2.8085  85.721  2.8748  1.687759       4.018980 
1 1 1 -1  -7  4  o 112.599 2.3702  1698.64   71.482    1679.95   100.952   1717.42   101.230   111.978 3.3659  113.220 3.3381  -1.242088      4.740440 
1 1 1 -1  -7  5  o 466.683 8.5971  29322.24  1074.47   29926.87  1519.82   28718.06  1519.25   471.518 12.034  461.848 12.281  9.669556       17.19422 
1 1 1 -1  -7  6  o 194.358 3.7225  5063.90   193.786   5076.37   274.018   5051.42   274.091   194.598 5.2572  194.119 5.2716  0.4792480      7.444948 
1 1 1 -1  -7  7  o 168.542 3.2911  3807.18   148.568   3843.87   210.219   3770.56   209.996   169.354 4.6343  167.730 4.6742  1.623856       6.582202 
1 1 1 -1  -7  8  o 234.939 6.2694  7411.20   394.454   7599.49   560.266   7226.13   555.449   237.902 8.7924  231.975 8.9395  5.927704       12.53878 
1 1 1 -1  -7  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -7  10 o 175.345 4.8859  4124.85   229.420   4032.21   324.968   4216.90   323.931   173.378 6.9977  177.311 6.8207  -3.933365      9.771888 
1 1 1 -1  -7  11 o 344.182 6.4086  15909.67  590.641   15490.73  835.507   16328.17  835.078   339.640 9.1842  348.725 8.9404  -9.084503      12.81717 
1 1 1 -1  -7  12 o 312.424 5.8401  13100.42  488.697   13228.93  691.488   12972.17  690.756   313.958 8.2229  310.890 8.2952  3.067505       11.68019 
1 1 1 -1  -7  13 o 324.656 6.0474  14148.29  525.825   13922.69  743.315   14374.27  743.943   322.060 8.6168  327.252 8.4873  -5.192413      12.09477 
1 1 1 -1  -7  14 o 163.640 3.2841  3588.58   143.935   3528.18   203.144   3649.48   203.968   162.257 4.6742  165.024 4.6145  -2.766891      6.568286 
1 1 1 -1  -7  15 o 590.438 10.866  47019.85  1718.40   46872.56  2429.56   47167.30  2430.82   589.507 15.387  591.369 15.346  -1.861511      21.73167 
1 1 1 -1  -7  16 o 383.840 7.1215  19794.47  732.134   19551.51  1034.64   20038.14  1036.15   381.474 10.126  386.206 10.016  -4.731445      14.24303 
1 1 1 -1  -7  17 o 573.637 10.588  44407.44  1626.72   45021.45  2300.43   43793.31  2300.64   577.634 14.869  569.640 15.079  7.993652       21.17630 
1 1 1 -1  -7  18 o 183.992 3.6593  4538.52   180.334   4548.41   254.544   4528.55   255.521   184.193 5.1594  183.790 5.1906  0.4037781      7.318581 
1 1 1 -1  -7  19 o 226.448 4.3725  6880.39   265.177   6747.91   374.394   7013.76   375.643   224.257 6.2330  228.639 6.1339  -4.381561      8.744965 
1 1 1 -1  -7  20 o 179.048 3.5777  4300.56   171.576   4310.90   242.108   4290.12   243.185   179.265 5.0422  178.831 5.0770  0.4345398      7.155425 
1 1 1 -1  -7  21 o 139.773 2.9822  2623.38   111.489   2775.51   157.329   2469.93   158.011   143.855 4.0831  135.692 4.3476  8.163071       5.964329 
1 1 1 -1  -7  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -7  23 o 160.765 3.3066  3471.85   142.366   3393.12   200.564   3551.80   202.118   158.924 4.7117  162.606 4.6407  -3.681259      6.613269 
1 1 1 -1  -7  24 o 158.131 3.2275  3359.48   136.675   3456.17   194.778   3265.70   191.832   160.376 4.5343  155.887 4.5943  4.488693       6.455076 
1 1 1 -1  -7  25 o 143.972 2.9845  2784.50   114.886   3012.78   164.311   2566.15   160.697   149.758 4.0963  138.186 4.3416  11.57153       5.969015 
1 1 1 -1  -7  26 o 125.157 2.7567  2104.34   92.378    2097.84   132.362   2110.50   128.987   124.963 3.9545  125.351 3.8418  -0.3874969     5.513360 
1 1 1 -1  -7  27 o 143.356 3.0998  2770.82   118.688   2570.97   169.565   2962.78   166.185   138.248 4.5792  148.464 4.1791  -10.21577      6.199512 
1 1 1 -1  -7  28 o 140.392 2.9748  2647.86   111.801   2773.24   160.470   2529.60   155.852   143.624 4.1714  137.161 4.2422  6.462906       5.949513 
1 1 1 -1  -7  29 o 102.559 2.4414  1409.19   66.932    1541.17   97.151    1289.94   92.344    107.125 3.3859  97.994  3.5182  9.130478       4.882813 
1 1 1 -1  -7  30 o 92.054  2.3436  1136.69   57.724    1174.95   83.994    1102.45   79.463    93.516  3.3533  90.591  3.2748  2.924149       4.687122 
1 1 1 -1  -7  31 o 27.997  2.2976  104.622   16.643    132.441   25.472    83.900    21.984    31.244  3.0840  24.749  3.4066  6.494690       4.595258 
1 1 1 -1  -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -7  33 o 61.980  2.0763  511.304   34.150    605.917   51.388    436.474   45.701    67.102  2.8592  56.859  3.0116  10.24330       4.152635 
1 1 1 -1  -7  34 f 40.067  2.0621  217.552   21.708    217.321   33.371    217.722   28.583    40.011  3.1390  40.122  2.6751  -0.1108131     4.124229 
1 1 1 -1  -7  35 o 21.888  2.7656  74.956    14.634    40.072    23.084    98.394    18.922    16.895  4.8480  26.881  2.6631  -9.985552      5.531266 
1 1 1 -1  -7  36 o 47.673  2.1207  311.560   26.524    292.745   40.484    325.710   35.108    46.325  3.2840  49.020  2.6841  -2.694977      4.241342 
1 1 1 -1  -7  37 o 42.875  2.0829  246.156   23.538    283.701   36.564    219.588   30.758    45.612  3.0097  40.137  2.8802  5.475655       4.165843 
1 1 1 -1  -7  38 o 17.136  3.0067  42.380    13.487    40.173    21.898    43.728    17.119    16.742  4.6939  17.530  3.7587  -0.7876263     6.013384 
1 1 1 -1  -7  39 o 45.799  2.2172  291.616   26.366    269.557   41.135    306.998   34.350    44.164  3.5063  47.435  2.7149  -3.271317      4.434480 
1 1 1 -1  -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -7  41 o 20.242  3.1035  60.081    15.777    59.772    26.532    60.249    19.623    19.992  4.9749  20.493  3.7116  -0.5012932     6.206904 
1 1 1 -1  -7  42 o 31.014  2.6405  137.683   20.494    135.895   34.145    138.690   25.623    30.553  4.2907  31.475  3.0787  -0.9223022     5.280951 
1 1 1 -1  -7  43 o 7.9224  2.5745  -8.2516   11.586    -17.2945  21.853    -4.7158   13.665    8.4107  3.9277  7.4341  3.3294  0.9766273      5.148911 
1 1 1 -1  -7  44 o 12.117  2.9614  19.761    13.631    -11.3307  25.075    32.803    16.240    9.5145  4.3587  14.719  4.0102  -5.204197      5.922890 
1 1 1 -1  -7  45 o 13.947  3.4687  28.967    15.383    27.228    28.177    29.706    18.360    13.980  5.3641  13.915  4.3994  0.6488609E-01  6.937459 
1 1 1 -1  -7  46 o 8.5315  2.7810  -7.1719   13.238    -17.8557  26.616    -3.6606   15.259    9.1809  4.3025  7.8821  3.5249  1.298797       5.562069 
1 1 1 -1  -7  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -7  48 o 16.288  3.6375  47.395    17.458    40.025    32.776    50.315    20.628    15.102  5.7875  17.474  4.4078  -2.372053      7.274908 
1 1 1 -1  -7  49 o 12.622  3.5393  25.475    16.952    22.108    32.787    26.703    19.805    12.607  5.4108  12.638  4.5640  -0.3135967E-01 7.078591 
1 1 1 -1  -6  1  o 45.377  1.6071  276.218   19.489    286.687   27.638    265.863   27.485    46.263  2.2304  44.491  2.3144  1.772457       3.214219 
1 1 1 -1  -6  2  o 402.435 7.4357  21781.50  801.493   21936.41  1133.52   21626.62  1133.45   403.872 10.478  400.998 10.553  2.873871       14.87145 
1 1 1 -1  -6  3  o 235.892 4.4489  7463.60   281.097   7469.02   397.384   7458.17   397.679   235.978 6.2871  235.806 6.2964  0.1720276      8.897846 
1 1 1 -1  -6  4  f 354.633 6.5716  16898.99  624.222   16879.58  882.653   16918.40  882.914   354.429 9.2976  354.837 9.2897  -0.4083252     13.14321 
1 1 1 -1  -6  5  o 159.764 3.1275  3420.94   133.831   3439.01   189.221   3402.85   189.310   160.186 4.4102  159.341 4.4356  0.8450165      6.254952 
1 1 1 -1  -6  6  o 104.804 2.2529  1471.62   63.240    1456.55   89.489    1486.66   89.379    104.268 3.2043  105.340 3.1678  -1.072449      4.505805 
1 1 1 -1  -6  7  o 81.024  1.9353  879.338   41.994    900.492   59.711    858.634   59.072    81.988  2.7190  80.060  2.7547  1.928497       3.870599 
1 1 1 -1  -6  8  o 142.524 2.8844  2722.34   110.097   2689.20   156.234   2755.05   155.174   141.661 4.1175  143.387 4.0404  -1.725571      5.768749 
1 1 1 -1  -6  9  o 131.464 2.7316  2316.84   96.138    2242.01   136.406   2390.70   135.518   129.352 3.9371  133.575 3.7878  -4.222870      5.463287 
1 1 1 -1  -6  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -6  11 o 243.908 6.5655  7989.92   428.883   8137.17   607.737   7843.84   605.335   246.152 9.2177  241.665 9.3518  4.487274       13.13095 
1 1 1 -1  -6  12 o 411.622 7.6203  22778.46  839.996   23297.63  1187.96   22259.34  1187.90   416.331 10.653  406.914 10.899  9.417328       15.24068 
1 1 1 -1  -6  13 o 252.567 4.7874  8556.75   323.746   8276.93   457.193   8838.17   458.504   248.419 6.8711  256.715 6.6681  -8.295212      9.574731 
1 1 1 -1  -6  14 o 59.568  1.8429  475.195   29.400    467.377   41.210    483.298   41.955    59.069  2.6047  60.067  2.6077  -0.9976578     3.685725 
1 1 1 -1  -6  15 o 310.637 5.8142  12949.38  483.747   12816.02  683.586   13083.16  684.659   309.032 8.2585  312.242 8.1864  -3.209625      11.62841 
1 1 1 -1  -6  16 o 552.731 10.186  41180.41  1507.71   40208.27  2131.03   42154.71  2133.41   546.159 14.567  559.303 14.241  -13.14349      20.37188 
1 1 1 -1  -6  17 o 216.923 4.2148  6311.88   244.686   5999.83   345.336   6626.48   346.745   211.531 6.0951  222.315 5.8231  -10.78419      8.429592 
1 1 1 -1  -6  18 o 59.545  1.9344  474.873   30.848    466.811   43.261    483.211   43.999    59.031  2.7361  60.059  2.7351  -1.028000      3.868712 
1 1 1 -1  -6  19 o 191.064 3.7785  4895.43   193.349   4801.56   272.841   4990.12   274.037   189.222 5.3833  192.905 5.3037  -3.683456      7.557051 
1 1 1 -1  -6  20 o 26.844  1.9940  98.761    13.916    112.798   19.304    83.572    20.079    28.906  2.5184  24.781  3.0924  4.125118       3.988098 
1 1 1 -1  -6  21 o 350.800 6.5932  16603.76  619.421   16910.86  875.611   16296.12  876.377   354.073 9.2327  347.528 9.4148  6.544769       13.18644 
1 1 1 -1  -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -6  23 o 157.907 3.2241  3348.31   136.343   3430.84   194.274   3268.21   191.394   159.827 4.5381  155.988 4.5809  3.838303       6.448171 
1 1 1 -1  -6  24 o 185.059 3.6599  4609.76   180.915   5050.92   257.897   4182.31   253.856   193.815 4.9679  176.304 5.3757  17.51111       7.319706 
1 1 1 -1  -6  25 o 128.095 2.7571  2202.01   94.551    2301.97   135.540   2107.26   131.961   130.928 3.8650  125.262 3.9331  5.665565       5.514287 
1 1 1 -1  -6  26 o 22.981  2.6048  86.313    14.008    25.495    20.862    136.248   18.904    14.161  4.7065  31.802  2.2334  -17.64165      5.209528 
1 1 1 -1  -6  27 o 81.218  2.2086  887.540   47.902    846.889   69.473    924.381   66.137    79.432  3.2653  83.003  2.9748  -3.570335      4.417243 
1 1 1 -1  -6  28 o 38.625  2.0941  200.965   21.350    204.606   32.256    198.127   28.482    38.921  3.1204  38.328  2.7936  0.5920372      4.188185 
1 1 1 -1  -6  29 o 48.034  2.1001  317.837   26.239    254.888   38.674    371.529   35.717    43.438  3.3498  52.629  2.5337  -9.190918      4.200121 
1 1 1 -1  -6  30 o 230.171 4.4818  7175.92   276.283   7298.12   393.542   7057.17   387.964   232.106 6.3302  228.235 6.3463  3.870392       8.963624 
1 1 1 -1  -6  31 o 98.267  2.4207  1297.69   63.632    1318.25   92.661    1279.33   87.537    98.995  3.4946  97.540  3.3506  1.454826       4.841331 
1 1 1 -1  -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -6  33 o 82.017  2.2559  899.885   49.377    1000.87   73.460    816.660   66.689    86.185  3.1822  77.849  3.1983  8.336395       4.511702 
1 1 1 -1  -6  34 o 146.624 3.1870  2925.17   125.064   2934.16   180.588   2916.88   173.368   146.796 4.5929  146.452 4.4196  0.3436737      6.373975 
1 1 1 -1  -6  35 o 67.401  2.1269  607.454   38.168    677.055   57.980    554.227   50.704    70.761  3.0591  64.042  2.9559  6.719063       4.253881 
1 1 1 -1  -6  36 f 49.131  2.0742  327.143   26.891    334.089   41.254    322.011   35.460    49.537  3.1252  48.725  2.7280  0.8120880      4.148334 
1 1 1 -1  -6  37 o 28.415  2.2935  110.466   16.764    115.069   26.828    107.517   21.472    28.824  3.5500  28.005  2.9048  0.8197441      4.586955 
1 1 1 -1  -6  38 o 28.790  2.4303  116.502   17.747    107.712   28.212    122.258   22.830    27.727  3.9070  29.854  2.8913  -2.126560      4.860503 
1 1 1 -1  -6  39 o 31.088  2.6703  146.164   19.652    99.377    31.526    175.901   25.134    26.294  4.6461  35.881  2.6336  -9.586361      5.340637 
1 1 1 -1  -6  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -6  41 o 12.544  3.0943  20.977    12.624    13.026    22.549    24.607    15.235    11.950  4.7360  13.138  3.9834  -1.188145      6.188502 
1 1 1 -1  -6  42 o 20.853  3.2209  70.692    16.955    46.468    28.979    83.301    20.907    17.483  5.5271  24.223  3.3088  -6.739931      6.441819 
1 1 1 -1  -6  43 o 13.091  3.2632  19.676    13.376    36.437    24.759    12.767    15.896    15.554  5.1251  10.629  4.0406  4.925059       6.526394 
1 1 1 -1  -6  44 o 11.754  3.1347  17.653    13.188    6.4118    25.346    21.826    15.443    11.233  4.7876  12.275  4.0478  -1.041527      6.269444 
1 1 1 -1  -6  45 o 42.689  2.5125  259.061   27.433    294.100   46.336    240.153   34.039    44.466  3.9309  40.911  3.1301  3.555706       5.024932 
1 1 1 -1  -6  46 o 34.336  2.6861  162.865   23.235    227.817   40.779    131.640   28.274    38.893  3.9702  29.780  3.6191  9.113111       5.372150 
1 1 1 -1  -6  47 o 17.059  3.5779  34.072    17.860    93.546    34.268    11.890    20.927    23.201  5.5820  10.916  4.4773  12.28556       7.155798 
1 1 1 -1  -6  48 f 18.703  3.7449  53.430    18.163    91.758    34.983    39.285    21.252    22.208  5.8132  15.198  4.7226  7.010023       7.489702 
1 1 1 -1  -5  1  o 375.815 6.9561  18990.95  700.185   19185.73  990.453   18796.35  989.969   377.749 9.7891  373.881 9.8855  3.867493       13.91220 
1 1 1 -1  -5  2  o 221.161 4.2067  6560.34   249.183   6481.97   352.195   6638.89   352.602   219.837 5.9813  222.485 5.9169  -2.648499      8.413405 
1 1 1 -1  -5  3  o 238.982 4.4891  7661.76   287.339   7575.79   406.184   7747.88   406.533   237.638 6.3814  240.326 6.3155  -2.688034      8.978198 
1 1 1 -1  -5  4  o 127.380 2.6112  2174.81   89.050    2094.88   125.789   2255.11   126.084   125.032 3.7561  129.729 3.6286  -4.696251      5.222495 
1 1 1 -1  -5  5  o 173.680 3.3736  4043.65   156.935   4014.32   221.976   4072.96   221.904   173.050 4.7890  174.311 4.7528  -1.260513      6.747137 
1 1 1 -1  -5  6  o 70.667  1.8121  668.982   34.297    668.366   48.774    669.586   48.238    70.635  2.5780  70.700  2.5473  -0.6465149E-01 3.624212 
1 1 1 -1  -5  7  o 444.640 8.2005  26617.52  976.563   26207.95  1381.25   27026.87  1380.89   441.202 11.688  448.078 11.506  -6.876709      16.40109 
1 1 1 -1  -5  8  o 282.722 5.2994  10727.24  401.306   10740.68  567.958   10713.84  567.107   282.899 7.4954  282.546 7.4935  0.3535156      10.59880 
1 1 1 -1  -5  9  f 346.602 6.4454  16136.48  598.369   16093.30  846.262   16179.66  846.181   346.137 9.1278  347.067 9.1025  -0.9303894     12.89080 
1 1 1 -1  -5  10 o 336.264 6.2639  15184.23  564.142   14994.57  797.359   15374.33  798.275   334.156 8.9087  338.371 8.8078  -4.215332      12.52771 
1 1 1 -1  -5  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -5  12 o 402.149 7.4727  21737.32  804.889   21506.85  1137.78   21968.20  1138.79   400.008 10.619  404.289 10.516  -4.281738      14.94537 
1 1 1 -1  -5  13 o 489.769 9.0335  32297.97  1184.55   31198.28  1674.02   33400.78  1676.40   481.376 12.983  498.162 12.564  -16.78592      18.06693 
1 1 1 -1  -5  14 o 327.669 6.1198  14412.03  537.102   14334.88  759.192   14489.34  759.962   326.789 8.6735  328.548 8.6358  -1.759094      12.23958 
1 1 1 -1  -5  15 o 117.012 2.5941  1834.39   81.302    1834.33   114.637   1834.45   115.323   117.010 3.6577  117.013 3.6795  -0.3395081E-02 5.188247 
1 1 1 -1  -5  16 o 517.458 9.5395  36057.81  1322.17   36098.24  1869.44   36017.35  1870.23   517.750 13.480  517.165 13.501  0.5848389      19.07899 
1 1 1 -1  -5  17 o 419.737 7.7826  23693.54  874.558   22831.69  1235.66   24558.62  1237.97   412.059 11.196  427.416 10.814  -15.35757      15.56525 
1 1 1 -1  -5  18 o 288.998 5.4624  11210.28  422.820   11304.62  597.538   11115.67  598.380   290.219 7.6869  287.777 7.7630  2.441925       10.92488 
1 1 1 -1  -5  19 o 170.893 3.4591  3920.97   158.061   3672.51   224.280   4166.14   222.792   165.501 5.0594  176.286 4.7184  -10.78529      6.918158 
1 1 1 -1  -5  20 o 385.761 7.2249  20066.07  746.036   19249.20  1055.59   20881.29  1054.52   377.862 10.430  393.660 10.001  -15.79816      14.44990 
1 1 1 -1  -5  21 o 156.057 3.1907  3266.49   133.326   3388.24   189.944   3148.24   187.188   158.926 4.4621  153.188 4.5621  5.737808       6.381498 
1 1 1 -1  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -5  23 o 36.575  1.7891  178.830   17.345    202.292   25.749    159.342   23.468    38.768  2.4929  34.382  2.5668  4.386341       3.578163 
1 1 1 -1  -5  24 o 115.434 2.6159  1789.63   80.818    1753.87   115.861   1823.51   112.789   114.305 3.7843  116.564 3.6126  -2.259193      5.231761 
1 1 1 -1  -5  25 o 138.801 2.9141  2586.98   108.125   2813.82   154.964   2371.77   150.939   144.740 3.9972  132.861 4.2415  11.87909       5.828153 
1 1 1 -1  -5  26 o 173.758 3.5743  4072.25   165.971   3796.14   236.438   4340.46   233.036   167.904 5.2574  179.612 4.8439  -11.70828      7.148685 
1 1 1 -1  -5  27 o 108.233 2.5090  1570.13   72.646    1684.22   105.043   1465.54   100.577   111.999 3.5016  104.468 3.5944  7.531044       5.018051 
1 1 1 -1  -5  28 o 142.981 3.0351  2747.66   116.200   2805.16   166.828   2693.48   161.945   144.430 4.3124  141.531 4.2719  2.898972       6.070112 
1 1 1 -1  -5  29 o 35.923  2.1814  180.114   20.056    141.963   30.129    210.472   26.877    32.317  3.5385  39.529  2.5521  -7.212563      4.362844 
1 1 1 -1  -5  30 o 56.661  2.0250  428.759   30.576    469.312   45.509    395.390   41.281    59.125  2.8736  54.196  2.8538  4.929680       4.049944 
1 1 1 -1  -5  31 o 110.369 2.5898  1637.33   76.484    1689.06   111.192   1590.87   105.373   112.015 3.7060  108.724 3.6184  3.291557       5.179521 
1 1 1 -1  -5  32 o 114.886 2.6592  1775.96   81.734    1859.41   119.137   1701.76   112.340   117.424 3.7879  112.347 3.7332  5.077049       5.318403 
1 1 1 -1  -5  33 o 158.246 3.4040  3409.54   143.970   3248.10   207.084   3560.57   200.293   154.522 5.0034  161.971 4.6168  -7.448746      6.808020 
1 1 1 -1  -5  34 o 14.309  2.9625  28.003    11.902    30.023    18.838    26.661    15.354    14.768  4.4186  13.850  3.9473  0.9188852      5.924935 
1 1 1 -1  -5  35 o 31.519  2.1827  135.104   17.814    138.375   28.303    132.959   22.924    31.777  3.3771  31.261  2.7663  0.5163174      4.365441 
1 1 1 -1  -5  36 o 44.831  2.0717  267.786   24.474    315.423   38.123    234.393   31.919    48.157  2.9701  41.505  2.8892  6.651707       4.143495 
1 1 1 -1  -5  37 f 40.874  2.1411  222.691   22.890    258.826   36.647    199.576   29.311    43.503  3.1668  38.245  2.8825  5.258255       4.282221 
1 1 1 -1  -5  38 o 18.157  3.0173  47.919    14.070    44.269    23.282    50.019    17.660    17.520  4.8133  18.794  3.6397  -1.274277      6.034503 
1 1 1 -1  -5  39 o 20.790  2.8774  58.196    14.936    77.139    25.524    48.330    18.420    23.208  4.2630  18.372  3.8657  4.836617       5.754745 
1 1 1 -1  -5  40 o 56.959  2.2302  436.832   33.369    509.305   53.197    389.818   42.847    60.702  3.2841  53.216  3.0184  7.486126       4.460495 
1 1 1 -1  -5  41 o 25.737  2.8480  96.187    18.157    92.064    30.003    98.570    22.807    25.000  4.6517  26.473  3.2872  -1.473074      5.695944 
1 1 1 -1  -5  42 o 12.238  3.1043  19.394    13.595    1.6384    24.323    27.461    16.396    10.757  4.6391  13.718  4.1263  -2.961259      6.208659 
1 1 1 -1  -5  43 o 31.364  2.6334  138.297   20.733    157.447   35.680    128.534   25.476    32.675  4.1720  30.054  3.2146  2.620956       5.266867 
1 1 1 -1  -5  44 o 14.651  3.4982  30.358    15.109    40.171    28.243    26.423    17.884    15.978  5.4764  13.324  4.3542  2.654528       6.996413 
1 1 1 -1  -5  45 o 7.2557  2.4432  -16.7148  11.267    -10.8432  21.374    -18.9743  13.259    8.6768  3.9931  5.8346  2.8163  2.842264       4.886374 
1 1 1 -1  -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -5  47 o 11.728  3.3598  16.234    15.383    13.040    29.458    17.432    18.038    12.086  5.1565  11.370  4.3086  0.7166576      6.719627 
1 1 1 -1  -5  48 o 7.9146  2.6929  -22.4690  12.803    1.0500    27.020    -29.2789  14.539    10.375  4.6614  5.4546  2.6977  4.919992       5.385772 
1 1 1 -1  -4  1  o 400.680 7.4040  21604.40  794.608   21625.83  1123.79   21582.97  1123.70   400.879 10.466  400.480 10.476  0.3992310      14.80801 
1 1 1 -1  -4  2  o 323.585 6.0177  14068.51  521.517   13833.80  737.242   14303.60  737.831   320.875 8.5780  326.295 8.4422  -5.419708      12.03549 
1 1 1 -1  -4  3  o 783.840 14.568  83965.57  3049.52   76549.75  4306.92   91421.16  4318.45   748.443 21.484  819.237 19.680  -70.79395      29.13554 
1 1 1 -1  -4  4  o 171.066 3.3235  3923.39   152.252   3832.84   215.280   4014.00   215.355   169.089 4.7533  173.043 4.6463  -3.953537      6.647021 
1 1 1 -1  -4  5  o 40.565  1.4836  220.966   16.063    223.895   22.916    218.138   22.521    40.830  2.1026  40.300  2.0936  0.5292282      2.967129 
1 1 1 -1  -4  6  o 173.581 3.4139  4040.72   158.643   3895.51   224.572   4185.37   224.139   170.464 4.9185  176.698 4.7358  -6.234680      6.827883 
1 1 1 -1  -4  7  o 258.256 4.8728  8949.60   337.065   8896.48   476.836   9002.66   476.529   257.488 6.9139  259.024 6.8685  -1.535187      9.745654 
1 1 1 -1  -4  8  o 115.265 2.5089  1780.18   77.457    1780.86   109.303   1779.50   109.779   115.287 3.5397  115.243 3.5565  0.4417419E-01  5.017746 
1 1 1 -1  -4  9  o 273.006 5.1438  10001.46  376.117   10105.43  531.710   9897.33   532.108   274.429 7.2336  271.583 7.3149  2.846191       10.28751 
1 1 1 -1  -4  10 o 517.093 9.5169  36039.34  1317.91   36767.79  1864.14   35311.42  1863.47   522.350 13.324  511.836 13.593  10.51395       19.03374 
1 1 1 -1  -4  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -4  12 o 222.899 4.2933  6662.07   256.313   6724.11   362.254   6599.88   362.710   223.939 6.0394  221.858 6.1037  2.081207       8.586609 
1 1 1 -1  -4  13 o 360.469 6.7175  17452.77  648.495   17104.85  916.513   17801.60  917.709   356.861 9.5885  364.076 9.4107  -7.215057      13.43508 
1 1 1 -1  -4  14 o 314.471 5.8901  13272.26  496.124   13186.26  701.216   13358.47  702.034   313.450 8.3521  315.493 8.3077  -2.043640      11.78027 
1 1 1 -1  -4  15 o 133.556 2.8371  2389.94   101.489   2369.86   143.186   2410.21   143.870   132.993 4.0196  134.120 4.0049  -1.127548      5.674177 
1 1 1 -1  -4  16 o 586.299 10.833  46364.21  1701.00   45719.26  2405.91   47008.82  2405.26   582.192 15.428  590.405 15.210  -8.212769      21.66506 
1 1 1 -1  -4  17 o 243.957 4.6998  7982.60   307.072   7879.79   435.176   8084.57   433.360   242.389 6.7029  245.525 6.5897  -3.135376      9.399621 
1 1 1 -1  -4  18 o 308.902 5.7821  12811.11  478.324   13109.98  677.822   12514.66  675.090   312.498 8.0980  305.306 8.2554  7.192078       11.56413 
1 1 1 -1  -4  19 o 286.209 5.4530  11012.48  417.387   10323.21  590.915   11698.78  589.637   277.237 7.9577  295.182 7.4577  -17.94531      10.90605 
1 1 1 -1  -4  20 o 138.129 2.9926  2570.49   110.056   2264.60   156.546   2869.42   154.755   129.955 4.4974  146.304 3.9491  -16.34923      5.985147 
1 1 1 -1  -4  21 o 177.322 3.5079  4220.09   166.462   4459.72   237.005   3986.79   233.853   182.298 4.8538  172.346 5.0659  9.952377       7.015886 
1 1 1 -1  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -4  23 f 65.962  2.1075  597.739   36.136    451.255   52.007    734.475   50.247    57.903  3.3679  74.022  2.5343  -16.11910      4.214899 
1 1 1 -1  -4  24 o 283.505 5.3806  10866.10  408.551   11059.50  579.758   10675.33  575.820   286.026 7.5675  280.985 7.6509  5.040833       10.76122 
1 1 1 -1  -4  25 o 28.490  2.1213  114.720   15.158    82.971    22.483    141.178   20.525    24.617  3.5092  32.363  2.3845  -7.746473      4.242693 
1 1 1 -1  -4  26 o 68.246  2.0380  623.503   36.448    803.446   53.705    469.840   49.628    77.404  2.5904  59.089  3.1470  18.31436       4.075999 
1 1 1 -1  -4  27 o 59.607  2.1266  485.116   33.301    403.734   48.541    557.475   45.771    54.742  3.3263  64.471  2.6505  -9.728771      4.253189 
1 1 1 -1  -4  28 o 139.140 2.9485  2599.67   109.750   2787.98   157.975   2423.99   152.585   144.014 4.0954  134.266 4.2428  9.748138       5.896934 
1 1 1 -1  -4  29 o 135.365 2.9308  2462.64   106.219   2536.26   152.959   2394.07   147.615   137.316 4.1588  133.415 4.1308  3.900864       5.861664 
1 1 1 -1  -4  30 o 77.000  2.2397  801.542   45.870    739.870   67.271    855.129   62.708    74.197  3.3850  79.802  2.9337  -5.604927      4.479342 
1 1 1 -1  -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -4  32 f 118.711 2.8281  1910.48   89.539    1781.59   129.755   2027.65   123.715   114.819 4.2191  122.603 3.7673  -7.784264      5.656287 
1 1 1 -1  -4  33 o 77.852  2.2712  821.768   47.005    773.891   69.641    861.834   63.706    75.720  3.4337  79.985  2.9736  -4.264572      4.542330 
1 1 1 -1  -4  34 o 14.082  2.9145  26.257    11.574    34.348    18.440    20.998    14.868    15.640  4.2782  12.524  3.9589  3.116265       5.828908 
1 1 1 -1  -4  35 o 83.699  2.3356  948.760   52.129    960.885   77.658    938.815   70.329    84.141  3.4458  83.258  3.1537  0.8821182      4.671128 
1 1 1 -1  -4  36 o 27.210  2.3571  98.841    16.460    118.254   26.882    87.197    20.819    29.268  3.4983  25.152  3.1600  4.115797       4.714212 
1 1 1 -1  -4  37 o 16.706  3.0210  37.926    13.043    47.534    22.474    33.046    16.016    18.180  4.6090  15.232  3.9068  2.947881       6.042085 
1 1 1 -1  -4  38 o 73.335  2.3069  732.077   44.974    759.041   68.390    711.532   59.698    74.442  3.4300  72.228  3.0858  2.214012       4.613767 
1 1 1 -1  -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -4  40 o 36.998  2.3225  184.453   22.234    217.302   36.556    165.166   28.011    39.461  3.4947  34.536  3.0598  4.925831       4.644961 
1 1 1 -1  -4  41 o 13.106  3.3123  20.745    13.834    28.242    24.931    17.410    16.628    14.483  5.1328  11.728  4.1880  2.754814       6.624563 
1 1 1 -1  -4  42 o 18.816  3.2845  57.268    16.260    39.556    28.474    65.838    19.807    16.295  5.4992  21.338  3.5932  -5.043106      6.569028 
1 1 1 -1  -4  43 o 20.858  3.3372  72.184    17.633    51.065    30.800    82.481    21.506    17.851  5.7040  23.865  3.4658  -6.014698      6.674337 
1 1 1 -1  -4  44 o 9.9839  2.9910  5.6128    12.659    3.6111    24.468    6.3444    14.792    10.746  4.6435  9.2221  3.7713  1.523639       5.982049 
1 1 1 -1  -4  45 o 32.782  2.9053  161.401   23.225    163.964   40.539    160.148   28.336    32.281  4.8375  33.283  3.2188  -1.001514      5.810509 
1 1 1 -1  -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -4  47 o 12.114  3.4606  12.527    15.436    36.733    31.029    4.5669    17.794    14.854  5.6458  9.3742  4.0037  5.479285       6.921284 
1 1 1 -1  -4  48 o 12.345  3.4745  21.477    15.756    27.599    30.593    19.267    18.382    13.256  5.4226  11.435  4.3456  1.821640       6.948977 
1 1 1 -1  -3  1  o 266.541 5.0017  9536.48   357.072   9616.23   504.974   9456.72   504.978   267.658 7.0437  265.424 7.1030  2.234253       10.00333 
1 1 1 -1  -3  2  o 170.904 3.3263  3915.67   152.264   3895.38   215.234   3936.00   215.432   170.460 4.7141  171.348 4.6940  -0.8873291     6.652548 
1 1 1 -1  -3  3  o 256.200 4.8155  8809.24   330.452   8818.11   467.366   8800.37   467.292   256.329 6.8072  256.071 6.8130  0.2584534      9.630961 
1 1 1 -1  -3  4  o 235.650 4.4607  7450.38   281.553   7436.88   398.458   7463.84   397.894   235.436 6.3186  235.864 6.2982  -0.4277344     8.921428 
1 1 1 -1  -3  5  o 65.834  1.7837  580.571   31.447    597.057   44.677    564.385   44.270    66.760  2.4985  64.908  2.5464  1.852646       3.567430 
1 1 1 -1  -3  6  o 263.207 4.9668  9298.97   350.079   9063.10   494.715   9535.54   495.458   259.856 7.1078  266.557 6.9395  -6.700531      9.933626 
1 1 1 -1  -3  7  o 289.757 5.4428  11275.85  422.194   11702.90  597.213   10849.19  596.934   295.256 7.5516  284.257 7.8402  10.99954       10.88557 
1 1 1 -1  -3  8  o 128.402 2.7168  2209.53   93.416    2151.65   131.915   2267.75   132.306   126.714 3.8867  130.090 3.7971  -3.375351      5.433595 
1 1 1 -1  -3  9  o 236.977 4.5285  7532.48   287.442   7499.06   406.254   7565.98   406.754   236.450 6.4146  237.504 6.3940  -1.053909      9.057061 
1 1 1 -1  -3  10 o 134.122 2.8269  2410.86   101.535   2460.43   143.430   2361.06   143.754   135.505 3.9518  132.739 4.0433  2.766220       5.653714 
1 1 1 -1  -3  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -3  12 o 370.347 6.8915  18426.51  683.547   18104.42  966.156   18749.30  967.207   367.097 9.8260  373.597 9.6656  -6.499756      13.78309 
1 1 1 -1  -3  13 o 460.776 8.4497  28567.70  1042.47   29484.13  1475.67   27654.73  1472.89   468.185 11.767  453.366 12.129  14.81888       16.89943 
1 1 1 -1  -3  14 o 291.670 5.5005  11414.06  429.714   11478.70  608.567   11349.79  606.851   292.494 7.7679  290.846 7.7899  1.648621       11.00099 
1 1 1 -1  -3  15 o 192.122 3.8586  4967.27   197.439   4366.77   279.578   5564.72   278.864   180.482 5.7833  203.762 5.1095  -23.27986      7.717138 
1 1 1 -1  -3  16 o 264.408 4.9996  9377.47   353.992   9639.65   501.839   9117.82   499.410   268.091 6.9886  260.725 7.1513  7.366302       9.999125 
1 1 1 -1  -3  17 o 415.500 7.6401  23209.94  850.125   23742.26  1203.78   22680.29  1200.75   420.269 10.694  410.731 10.915  9.538300       15.28014 
1 1 1 -1  -3  18 o 310.885 5.7745  12983.83  480.246   13778.57  680.983   12197.50  677.371   320.376 7.9357  301.393 8.3908  18.98318       11.54910 
1 1 1 -1  -3  19 o 220.026 4.3347  6509.14   254.708   5949.35   360.915   7064.58   359.511   210.564 6.3993  229.488 5.8487  -18.92490      8.669415 
1 1 1 -1  -3  20 o 142.179 2.9587  2720.03   111.593   3201.60   159.648   2259.95   156.045   154.540 3.8568  129.817 4.4878  24.72314       5.917370 
1 1 1 -1  -3  21 o 174.518 3.4996  4088.61   163.558   4044.87   232.709   4131.31   229.929   173.591 5.0049  175.445 4.8929  -1.853729      6.999242 
1 1 1 -1  -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -3  23 o 189.383 3.8181  4827.45   193.522   4647.46   275.236   5003.42   272.153   185.870 5.5285  192.896 5.2675  -7.026489      7.636139 
1 1 1 -1  -3  24 f 138.805 2.9618  2588.04   110.080   2579.94   157.529   2595.77   153.889   138.587 4.2437  139.022 4.1327  -0.4353638     5.923556 
1 1 1 -1  -3  25 o 69.616  2.1025  656.631   38.811    575.512   56.479    729.211   53.424    65.491  3.2197  73.740  2.7048  -8.249054      4.205081 
1 1 1 -1  -3  26 o 95.461  2.3370  1219.46   59.603    1348.96   86.682    1103.33   82.088    100.258 3.2279  90.663  3.3803  9.595299       4.673954 
1 1 1 -1  -3  27 o 225.873 4.5357  6910.12   273.490   6308.40   388.758   7499.71   384.820   216.018 6.7189  235.729 6.0947  -19.71069      9.071383 
1 1 1 -1  -3  28 o 19.821  2.7857  53.691    14.175    63.494    21.737    46.437    18.698    21.402  3.9370  18.240  3.9421  3.161573       5.571428 
1 1 1 -1  -3  29 o 69.868  2.1352  655.352   39.808    654.831   58.884    655.792   54.024    69.835  3.1480  69.901  2.8855  -0.6565857E-01 4.270358 
1 1 1 -1  -3  30 o 205.633 4.0741  5722.44   224.362   5805.87   320.588   5642.35   314.102   207.094 5.7795  204.171 5.7437  2.923843       8.148135 
1 1 1 -1  -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -3  32 o 59.792  2.1934  489.970   34.400    426.749   51.524    540.817   46.207    56.165  3.4416  63.419  2.7202  -7.254757      4.386762 
1 1 1 -1  -3  33 o 91.956  2.3982  1137.44   58.922    1202.21   87.149    1082.90   79.969    94.345  3.4487  89.566  3.3334  4.778633       4.796353 
1 1 1 -1  -3  34 o 18.001  2.8497  47.689    13.129    36.975    21.507    54.052    16.576    16.261  4.6834  19.741  3.2480  -3.479279      5.699406 
1 1 1 -1  -3  35 o 65.389  2.1802  577.591   37.857    591.021   57.712    567.447   50.157    66.010  3.2641  64.768  2.8912  1.241646       4.360418 
1 1 1 -1  -3  36 o 37.433  2.1752  187.728   21.283    212.522   33.870    171.551   27.358    39.408  3.2374  35.458  2.9062  3.950378       4.350478 
1 1 1 -1  -3  37 o 9.7297  2.7459  0.7110    10.640    18.606    19.144    -7.2878   12.799    12.492  4.4902  6.9672  3.1618  5.524990       5.491727 
1 1 1 -1  -3  38 o 42.224  2.3718  253.600   25.436    211.383   40.050    282.140   32.929    38.963  3.8896  45.484  2.7153  -6.521446      4.743626 
1 1 1 -1  -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -3  40 o 26.034  2.7768  99.386    17.639    87.773    29.379    105.933   22.057    24.476  4.6513  27.592  3.0346  -3.115704      5.553690 
1 1 1 -1  -3  41 o 27.150  2.9307  109.696   19.316    97.425    32.471    116.416   24.030    25.504  4.9317  28.797  3.1678  -3.292648      5.861451 
1 1 1 -1  -3  42 o 8.6888  2.7178  -3.9752   11.559    2.8765    20.757    -7.0546   13.916    10.138  4.3270  7.2395  3.2898  2.898585       5.435562 
1 1 1 -1  -3  43 o 33.312  2.6953  163.527   22.174    156.871   37.593    167.079   27.460    32.275  4.4685  34.350  3.0151  -2.074821      5.390623 
1 1 1 -1  -3  44 o 13.979  3.2812  17.890    14.489    57.575    27.550    2.7175    17.035    18.782  5.2645  9.1749  3.9180  9.607532       6.562451 
1 1 1 -1  -3  45 o 22.320  3.4697  90.375    19.490    52.726    35.219    106.995   23.400    17.535  6.1095  27.105  3.2907  -9.569298      6.939361 
1 1 1 -1  -3  46 o 12.591  3.5596  19.466    16.753    20.928    32.304    18.928    19.593    13.325  5.5237  11.857  4.4912  1.467572       7.119186 
1 1 1 -1  -3  47 o 10.080  3.1962  -1.0380   15.521    10.986    30.870    -5.1058   17.955    11.900  5.1789  8.2604  3.7472  3.639549       6.392379 
1 1 1 -1  -2  1  o 247.044 4.6551  8191.25   307.958   8401.80   435.602   7980.87   435.433   250.225 6.4994  243.864 6.6663  6.361023       9.310287 
1 1 1 -1  -2  2  o 311.461 5.7855  13034.65  482.498   13419.32  682.665   12650.67  682.045   316.068 8.0638  306.855 8.2983  9.212891       11.57095 
1 1 1 -1  -2  3  o 375.578 6.9550  18976.42  699.638   18823.43  989.580   19129.33  989.297   374.057 9.8770  377.098 9.7945  -3.041229      13.90997 
1 1 1 -1  -2  4  o 339.487 6.2836  15491.19  571.372   15513.16  807.998   15469.22  808.085   339.729 8.8795  339.246 8.8931  0.4833984      12.56713 
1 1 1 -1  -2  5  o 184.722 3.6093  4576.53   178.483   4400.13   252.173   4753.60   252.654   181.150 5.1972  188.294 5.0096  -7.143646      7.218526 
1 1 1 -1  -2  6  o 399.487 7.3947  21479.78  791.018   22078.45  1118.98   20881.77  1118.36   405.079 10.313  393.896 10.600  11.18265       14.78932 
1 1 1 -1  -2  7  o 582.396 10.730  45868.68  1673.75   45286.75  2366.43   46451.21  2367.65   578.665 15.268  586.127 15.081  -7.461853      21.46046 
1 1 1 -1  -2  8  o 132.504 2.8110  2352.97   99.758    2378.97   140.954   2326.88   141.204   133.238 3.9497  131.770 4.0007  1.467804       5.621902 
1 1 1 -1  -2  9  o 20.588  1.5810  57.448    8.5726    54.966    12.055    59.987    12.193    20.129  2.2760  21.048  2.1950  -0.9194145     3.162021 
1 1 1 -1  -2  10 o 51.499  1.7168  355.847   23.643    338.688   33.829    372.231   33.056    50.283  2.5118  52.715  2.3411  -2.431946      3.433641 
1 1 1 -1  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -2  12 o 87.121  2.1843  1022.69   50.615    891.913   72.084    1149.87   71.088    81.593  3.2983  92.648  2.8646  -11.05486      4.368659 
1 1 1 -1  -2  13 o 144.034 2.9692  2786.77   113.904   3157.20   162.227   2426.58   159.967   153.503 3.9456  134.566 4.4382  18.93710       5.938500 
1 1 1 -1  -2  14 o 456.489 8.4706  28028.83  1035.69   27871.81  1465.45   28185.52  1463.92   455.205 12.019  457.773 11.939  -2.567810      16.94130 
1 1 1 -1  -2  15 o 195.893 3.8270  5145.62   200.577   5454.94   284.876   4841.53   282.457   201.738 5.2721  190.049 5.5488  11.68929       7.653996 
1 1 1 -1  -2  16 o 345.153 6.4367  15995.36  595.023   15805.55  842.403   16184.36  840.581   343.103 9.1666  347.202 9.0387  -4.099335      12.87340 
1 1 1 -1  -2  17 o 294.991 5.5059  11707.68  432.919   13105.29  614.625   10331.56  609.881   312.541 7.3420  277.441 8.2070  35.10028       11.01183 
1 1 1 -1  -2  18 o 242.530 4.6272  7891.72   300.550   7779.46   426.178   8002.79   423.914   240.810 6.6074  244.250 6.4797  -3.440079      9.254375 
1 1 1 -1  -2  19 o 250.428 4.8330  8422.66   324.019   8142.98   459.367   8699.58   457.104   246.278 6.9638  254.578 6.7035  -8.300812      9.666022 
1 1 1 -1  -2  20 o 446.020 8.3094  26905.09  992.675   26819.71  1405.33   26990.12  1402.38   445.302 11.782  446.737 11.720  -1.435638      16.61874 
1 1 1 -1  -2  21 o 85.886  2.2030  991.698   50.529    932.443   72.782    1046.83   70.206    83.398  3.2582  88.373  2.9659  -4.975494      4.405992 
1 1 1 -1  -2  22 o 122.350 3.9644  2040.13   127.802   1687.95   183.515   2371.77   178.085   111.832 6.1502  132.868 5.0040  -21.03555      7.928732 
1 1 1 -1  -2  23 o 228.441 4.4553  7034.75   272.455   6812.09   387.049   7253.45   383.593   224.829 6.4272  232.054 6.1715  -7.225632      8.910508 
1 1 1 -1  -2  24 o 90.862  2.2647  1105.24   55.047    1183.95   79.803    1033.81   76.031    93.943  3.1715  87.781  3.2337  6.161461       4.529387 
1 1 1 -1  -2  25 o 118.007 2.6443  1867.98   83.540    1939.66   120.370   1801.37   116.035   120.189 3.7391  115.825 3.7402  4.363846       5.288671 
1 1 1 -1  -2  26 o 97.120  2.3960  1265.45   62.267    1280.59   90.294    1251.72   85.982    97.669  3.4515  96.570  3.3241  1.098793       4.791958 
1 1 1 -1  -2  27 o 240.825 4.6816  7838.04   301.967   7923.46   429.913   7754.87   424.236   242.117 6.6293  239.533 6.6123  2.583984       9.363233 
1 1 1 -1  -2  28 o 163.318 3.3653  3587.99   147.127   3764.11   211.210   3421.97   205.063   167.216 4.7157  159.420 4.8024  7.795898       6.730594 
1 1 1 -1  -2  29 o 83.719  2.2472  935.667   50.232    1040.63   74.206    846.892   68.246    88.029  3.1472  79.409  3.2086  8.620117       4.494476 
1 1 1 -1  -2  30 o 186.190 3.8477  4701.79   191.421   4403.69   273.800   4986.81   267.721   180.322 5.6689  192.058 5.2043  -11.73566      7.695486 
1 1 1 -1  -2  31 o 35.599  3.8771  172.856   36.371    0.0000    0.0000    172.856   36.371    ?       ?       35.599  3.8771  ?              ?        
1 1 1 -1  -2  32 o 77.785  2.3103  820.219   47.752    770.364   70.838    861.742   64.648    75.570  3.4997  80.000  3.0170  -4.430382      4.620628 
1 1 1 -1  -2  33 o 88.094  2.3589  1047.45   55.464    1058.90   82.144    1037.85   75.192    88.506  3.4651  87.682  3.2017  0.8248215      4.717769 
1 1 1 -1  -2  34 f 52.846  2.1031  376.622   29.392    392.746   44.989    364.616   38.822    53.796  3.1359  51.897  2.8032  1.898930       4.206166 
1 1 1 -1  -2  35 o 77.835  2.2880  819.768   47.428    844.699   71.422    800.102   63.433    78.843  3.3820  76.828  3.0825  2.015656       4.576034 
1 1 1 -1  -2  36 f 31.765  2.3020  137.393   18.833    144.494   30.440    132.989   23.972    32.348  3.5729  31.182  2.9035  1.165537       4.603916 
1 1 1 -1  -2  37 o 57.067  2.2275  445.127   33.389    441.615   51.999    447.591   43.554    56.731  3.4383  57.402  2.8328  -0.6704521     4.454926 
1 1 1 -1  -2  38 o 75.623  2.3260  777.205   46.716    831.033   71.722    737.538   61.569    77.799  3.4418  73.448  3.1296  4.350266       4.651947 
1 1 1 -1  -2  39 o 16.901  2.8692  47.335    14.428    7.8302    24.532    68.225    17.839    11.704  4.8295  22.098  3.0992  -10.39415      5.738367 
1 1 1 -1  -2  40 o 76.986  2.4886  826.888   50.623    815.200   77.841    835.453   66.640    76.260  3.8109  77.713  3.2015  -1.453072      4.977176 
1 1 1 -1  -2  41 o 8.0499  2.6471  -11.3955  12.197    -15.3380  23.707    -9.9764   14.223    9.0596  4.1822  7.0402  3.2463  2.019404       5.294267 
1 1 1 -1  -2  42 o 18.236  3.3063  52.819    15.963    42.602    27.414    58.060    19.634    16.628  5.3886  19.844  3.8327  -3.216480      6.612598 
1 1 1 -1  -2  43 o 19.197  3.3871  55.509    16.345    64.503    29.659    51.585    19.589    19.937  5.4141  18.457  4.0716  1.480213       6.774261 
1 1 1 -1  -2  44 o 45.886  2.6598  313.958   30.498    292.238   51.106    325.971   38.008    43.878  4.4081  47.894  2.9775  -4.016037      5.319520 
1 1 1 -1  -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -2  46 o 15.212  3.2177  40.343    18.050    -14.0247  33.927    61.807    21.317    10.576  4.9238  19.848  4.1437  -9.271524      6.435370 
1 1 1 -1  -2  47 o 18.629  3.8100  64.068    19.615    58.330    36.272    66.440    23.319    17.202  6.1809  20.057  4.4565  -2.854446      7.619984 
1 1 1 -1  -1  1  o 274.357 4.7176  9769.61   331.239   9051.31   405.489   11210.33  574.273   259.766 5.8278  288.949 7.4201  -29.18338      9.435107 
1 1 1 -1  -1  2  o 289.433 5.3874  11254.42  417.342   11769.28  590.754   10741.44  589.670   296.061 7.4497  282.805 7.7846  13.25687       10.77481 
1 1 1 -1  -1  3  o 483.328 8.9733  31528.62  1161.16   32618.95  1642.91   30440.37  1641.34   491.741 12.473  474.916 12.903  16.82489       17.94651 
1 1 1 -1  -1  4  o 129.669 2.7474  2253.51   95.413    2287.50   134.904   2219.49   134.964   130.648 3.8551  128.690 3.9155  1.957993       5.494791 
1 1 1 -1  -1  5  o 420.021 7.7620  23755.85  873.243   23725.27  1234.80   23786.44  1235.11   419.750 10.983  420.293 10.971  -0.5430603     15.52406 
1 1 1 -1  -1  6  o 320.285 5.9670  13782.25  511.827   14064.63  724.583   13501.04  723.084   323.569 8.3605  317.002 8.5160  6.567444       11.93403 
1 1 1 -1  -1  7  o 265.110 5.0008  9432.41   355.086   9541.78   502.897   9323.67   501.441   266.645 7.0414  263.575 7.1028  3.069977       10.00150 
1 1 1 -1  -1  8  o 323.854 6.0192  14106.80  520.785   15317.37  738.133   12906.87  734.880   337.746 8.1593  309.962 8.8516  27.78461       12.03848 
1 1 1 -1  -1  9  o 231.133 4.3801  7165.40   271.127   7306.50   383.456   7024.33   383.409   233.412 6.1334  228.854 6.2548  4.557770       8.760220 
1 1 1 -1  -1  10 o 199.683 3.8557  5346.43   206.157   5185.17   291.280   5508.29   291.820   196.663 5.5297  202.704 5.3748  -6.041061      7.711418 
1 1 1 -1  -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -1  12 o 217.359 4.1655  6334.26   242.508   6299.24   342.745   6369.38   343.173   216.757 5.9035  217.962 5.8782  -1.204483      8.330925 
1 1 1 -1  -1  13 o 477.398 8.8208  30669.07  1127.91   30546.75  1594.79   30791.48  1595.41   476.441 12.497  478.354 12.452  -1.912933      17.64152 
1 1 1 -1  -1  14 o 176.902 3.5092  4195.41   166.183   4024.76   234.678   4367.04   235.359   173.291 5.0560  180.514 4.8678  -7.223251      7.018447 
1 1 1 -1  -1  15 o 127.838 2.6649  2191.01   91.160    2302.32   128.897   2079.63   128.942   131.090 3.6710  124.586 3.8640  6.503838       5.329810 
1 1 1 -1  -1  16 o 173.260 3.3891  4023.24   157.274   4061.31   222.269   3985.07   222.569   174.081 4.7669  172.438 4.8188  1.642990       6.778244 
1 1 1 -1  -1  17 o 221.018 4.2674  6550.27   252.625   6541.11   357.044   6559.44   357.487   220.863 6.0354  221.173 6.0345  -0.3093872     8.534716 
1 1 1 -1  -1  18 f 328.909 6.2342  14538.85  549.009   15009.88  776.620   14068.32  776.212   334.253 8.6745  323.566 8.9563  10.68707       12.46845 
1 1 1 -1  -1  19 o 166.926 3.4028  3737.56   152.089   3850.56   215.000   3624.37   215.173   169.455 4.7369  164.396 4.8866  5.059341       6.805679 
1 1 1 -1  -1  20 o 178.217 3.4806  4261.99   166.139   4305.61   234.803   4218.25   235.108   179.132 4.8938  177.301 4.9507  1.830383       6.961198 
1 1 1 -1  -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -1  22 o 152.666 3.2056  3130.11   131.079   3145.10   185.201   3115.07   185.546   153.034 4.5182  152.299 4.5485  0.7353210      6.411166 
1 1 1 -1  -1  23 o 201.024 3.9647  5439.34   213.431   5309.37   301.523   5569.85   302.153   198.606 5.6681  203.442 5.5450  -4.835663      7.929317 
1 1 1 -1  -1  24 o 131.548 2.8248  2324.14   99.530    2342.18   140.608   2306.01   140.904   132.062 3.9751  131.034 4.0147  1.027206       5.649675 
1 1 1 -1  -1  25 o 88.386  2.2329  1048.42   52.851    1070.85   74.628    1025.85   74.856    89.337  3.1188  87.436  3.1963  1.901001       4.465776 
1 1 1 -1  -1  26 o 134.866 3.6151  2452.55   122.135   2438.04   214.446   2459.52   148.589   134.444 5.9551  135.288 4.1005  -0.8438873     7.230280 
1 1 1 -1  -1  27 o 227.174 4.5025  6984.34   273.411   6536.13   389.155   7421.24   384.215   219.888 6.6074  234.460 6.1181  -14.57144      9.004964 
1 1 1 -1  -1  28 o 128.478 2.8856  2222.49   99.134    2160.41   143.166   2279.67   137.405   126.735 4.2175  130.222 3.9394  -3.486992      5.771141 
1 1 1 -1  -1  29 o 44.288  2.0231  260.658   23.688    307.301   35.922    224.771   31.510    47.763  2.8204  40.814  2.9012  6.948231       4.046215 
1 1 1 -1  -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -1  31 o 84.123  2.3405  954.036   52.476    941.314   77.917    964.596   70.990    83.586  3.4802  84.661  3.1305  -1.075836      4.681071 
1 1 1 -1  -1  32 o 64.784  2.1601  565.533   37.225    565.213   55.999    565.786   49.828    64.744  3.2292  64.823  2.8698  -0.7891846E-01 4.320103 
1 1 1 -1  -1  33 f 59.778  2.1339  481.892   33.804    491.385   51.485    474.699   44.817    60.224  3.2032  59.333  2.8201  0.8914833      4.267719 
1 1 1 -1  -1  34 o 85.139  2.3782  984.429   53.909    968.991   80.413    997.031   72.653    84.471  3.5541  85.808  3.1611  -1.337578      4.756476 
1 1 1 -1  -1  35 o 55.732  2.1614  421.309   31.731    429.927   49.137    415.143   41.558    56.156  3.2811  55.308  2.8145  0.8473091      4.322879 
1 1 1 -1  -1  36 o 30.261  2.2560  120.761   17.618    155.491   28.605    99.533    22.364    33.652  3.2126  26.870  3.1682  6.781651       4.512047 
1 1 1 -1  -1  37 o 42.592  2.2874  248.400   25.226    252.034   40.601    246.114   32.194    42.729  3.5805  42.454  2.8477  0.2747612      4.574849 
1 1 1 -1  -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  -1  39 o 16.513  3.1302  42.158    14.276    26.659    24.643    49.988    17.515    14.338  5.1007  18.688  3.6298  -4.350560      6.260389 
1 1 1 -1  -1  40 o 16.697  3.3824  37.481    15.108    55.266    27.141    29.495    18.187    19.110  5.1750  14.284  4.3570  4.825630       6.764849 
1 1 1 -1  -1  41 o 23.076  3.2923  86.442    18.531    60.782    31.837    99.590    22.789    19.657  5.7088  26.496  3.2814  -6.838747      6.584662 
1 1 1 -1  -1  42 o 16.620  3.4165  44.250    15.926    32.961    29.005    49.122    19.055    15.144  5.5149  18.096  4.0344  -2.951290      6.833001 
1 1 1 -1  -1  43 o 20.434  3.5045  67.305    18.110    61.928    32.520    69.722    21.804    19.275  5.8142  21.592  3.9141  -2.316893      7.008957 
1 1 1 -1  -1  44 o 19.497  3.5549  59.207    17.702    68.362    31.693    55.056    21.342    20.161  5.6450  18.834  4.3223  1.326927       7.109757 
1 1 1 -1  -1  45 o 28.547  3.3179  121.608   23.125    151.441   41.426    108.104   27.872    30.436  5.2726  26.659  4.0290  3.776760       6.635765 
1 1 1 -1  -1  46 o 19.546  3.7451  61.435    18.611    80.234    35.072    54.067    21.957    20.900  5.9689  18.192  4.5248  2.707100       7.490113 
1 1 1 -1  0   1  o 331.634 20.337  21615.31  1239.06   44272.73  1773.27   -1.0122   1732.05   573.172 11.550  90.095  39.000  483.0779       40.67461 
1 1 1 -1  0   2  o 169.686 3.3739  3879.48   152.121   4452.57   215.481   3310.09   214.783   182.254 4.4141  157.118 5.1037  25.13644       6.747753 
1 1 1 -1  0   3  o 260.082 4.8934  9079.59   340.855   8939.08   481.819   9220.36   482.264   258.063 6.9706  262.100 6.8695  -4.037201      9.786707 
1 1 1 -1  0   4  o 148.142 3.0079  2941.81   119.340   2992.50   168.727   2891.07   168.817   149.420 4.2158  146.864 4.2915  2.556152       6.015868 
1 1 1 -1  0   5  o 135.166 2.8096  2448.70   101.704   2397.87   143.703   2499.71   143.961   133.760 4.0110  136.573 3.9354  -2.812759      5.619203 
1 1 1 -1  0   6  o 630.347 11.660  53848.16  1968.23   52454.48  2782.36   55244.12  2784.63   622.089 16.698  638.606 16.280  -16.51660      23.32081 
1 1 1 -1  0   7  o 201.515 3.9165  5445.32   211.389   5408.51   298.828   5482.18   299.070   200.832 5.5552  202.197 5.5222  -1.364700      7.832903 
1 1 1 -1  0   8  o 208.600 4.0157  5836.97   224.228   5589.57   316.801   6085.33   317.412   204.164 5.7932  213.036 5.5626  -8.872375      8.031455 
1 1 1 -1  0   9  o 168.881 3.3960  3822.84   153.613   3784.52   217.110   3861.25   217.373   168.033 4.8239  169.729 4.7815  -1.696075      6.792061 
1 1 1 -1  0   10 o 61.300  1.8011  503.489   29.553    481.249   41.688    525.957   41.902    59.939  2.5967  62.661  2.4966  -2.722866      3.602151 
1 1 1 -1  0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  0   12 o 602.362 11.089  48972.89  1788.73   47826.69  2528.58   50121.03  2530.72   595.253 15.859  609.470 15.503  -14.21649      22.17765 
1 1 1 -1  0   13 o 105.936 2.3779  1503.77   67.441    1446.26   95.158    1561.81   95.595    103.900 3.4193  107.973 3.3055  -4.072395      4.755818 
1 1 1 -1  0   14 o 426.420 7.9990  24443.95  913.569   24150.32  1291.58   24737.95  1292.39   423.848 11.377  428.992 11.247  -5.143890      15.99804 
1 1 1 -1  0   15 o 70.994  1.9503  675.586   37.053    707.697   52.352    643.354   52.449    72.686  2.6890  69.302  2.8256  3.383743       3.900604 
1 1 1 -1  0   16 f 435.371 8.0643  25490.03  940.402   25347.41  1329.56   25632.80  1330.30   434.148 11.434  436.594 11.376  -2.446320      16.12869 
1 1 1 -1  0   17 o 342.713 6.4315  15778.86  590.304   16061.39  834.772   15496.28  834.860   345.791 9.0129  339.634 9.1773  6.156311       12.86292 
1 1 1 -1  0   18 o 85.866  2.1782  988.606   50.050    1034.59   70.623    942.210   70.942    87.874  3.0005  83.858  3.1584  4.016708       4.356466 
1 1 1 -1  0   19 f 342.619 6.3630  15806.01  583.847   15476.23  825.116   16136.70  826.254   339.022 9.0865  346.216 8.9100  -7.194519      12.72608 
1 1 1 -1  0   20 o 84.285  2.1221  952.158   47.906    950.156   67.489    954.191   68.013    84.196  2.9926  84.374  3.0095  -0.1781921     4.244167 
1 1 1 -1  0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  0   22 o 143.442 3.0095  2764.34   115.541   2884.63   163.259   2643.63   163.540   146.579 4.1583  140.305 4.3517  6.273346       6.019046 
1 1 1 -1  0   23 o 44.564  1.8241  267.939   21.606    289.103   30.311    246.077   30.806    46.374  2.4489  42.754  2.7040  3.620060       3.648108 
1 1 1 -1  0   24 o 140.317 2.9460  2645.16   110.719   2655.58   156.360   2634.67   156.801   140.596 4.1521  140.038 4.1803  0.5576477      5.891944 
1 1 1 -1  0   25 f 439.472 8.3299  26570.50  980.072   27492.06  1386.57   25650.37  1385.49   447.291 11.573  431.654 11.983  15.63651       16.65973 
1 1 1 -1  0   26 o 59.463  1.9720  474.443   31.396    487.831   44.296    460.927   44.506    60.308  2.7422  58.618  2.8346  1.689625       3.943992 
1 1 1 -1  0   27 o 235.638 4.6354  7507.61   292.564   7511.72   413.589   7503.50   413.906   235.704 6.5511  235.572 6.5598  0.1318970      9.270779 
1 1 1 -1  0   28 o 89.769  2.2828  1082.14   54.887    1070.68   77.398    1093.73   77.848    89.290  3.2362  90.248  3.2205  -0.9574356     4.565572 
1 1 1 -1  0   29 f 62.395  1.9794  522.792   33.076    527.222   46.495    518.253   47.064    62.664  2.7701  62.126  2.8283  0.5386124      3.958875 
1 1 1 -1  0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  0   31 o 64.619  2.0462  562.668   35.342    603.222   49.908    521.877   50.054    66.969  2.7823  62.269  3.0011  4.700741       4.092418 
1 1 1 -1  0   32 o 45.954  2.4677  280.599   27.637    302.865   51.190    271.439   32.834    47.094  4.0990  44.813  2.7487  2.280834       4.935309 
1 1 1 -1  0   33 o 63.885  2.1800  553.201   36.896    545.107   55.790    559.493   49.190    63.386  3.2975  64.384  2.8524  -0.9985352     4.359963 
1 1 1 -1  0   34 o 25.031  2.4442  82.512    15.495    115.068   25.034    62.292    19.728    28.945  3.2873  21.117  3.6181  7.827812       4.888475 
1 1 1 -1  0   35 o 40.214  2.1665  217.798   22.758    236.231   36.244    205.800   29.241    41.551  3.2833  38.876  2.8275  2.675030       4.333025 
1 1 1 -1  0   36 o 12.741  2.7386  22.719    11.669    -0.8685   19.918    35.043    14.398    9.7678  4.2053  15.714  3.5093  -5.946636      5.477236 
1 1 1 -1  0   37 o 35.280  2.3107  165.342   21.061    200.868   34.770    144.752   26.470    38.132  3.4413  32.429  3.0846  5.703007       4.621409 
1 1 1 -1  0   38 o 20.792  2.9976  63.042    15.298    59.722    26.576    64.688    18.709    20.139  4.9596  21.444  3.3682  -1.305737      5.995194 
1 1 1 -1  0   39 o 12.242  3.1680  17.811    12.978    18.610    22.660    17.422    15.831    12.811  4.8354  11.673  4.0945  1.138065       6.336030 
1 1 1 -1  0   40 o 13.651  3.3557  20.792    14.333    39.849    26.048    12.516    17.164    16.401  5.2461  10.902  4.1858  5.499385       6.711312 
1 1 1 -1  0   41 o 21.204  3.2838  69.870    17.241    62.314    30.220    73.516    20.992    19.871  5.4940  22.537  3.5985  -2.666061      6.567575 
1 1 1 -1  0   42 o 13.197  3.3426  24.716    15.067    11.089    27.876    30.341    17.909    12.198  5.1000  14.196  4.3221  -1.997762      6.685115 
1 1 1 -1  0   43 o 10.890  3.2194  6.6305    14.102    17.136    27.306    2.8092    16.469    12.708  5.1514  9.0728  3.8628  3.635478       6.438803 
1 1 1 -1  0   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  0   45 o 13.114  3.4376  25.714    16.386    4.5379    32.733    32.795    18.928    11.842  5.2369  14.385  4.4547  -2.542806      6.875271 
1 1 1 -1  0   46 o 19.301  3.7862  65.464    19.173    67.296    36.206    64.750    22.602    18.620  6.2007  19.982  4.3466  -1.361511      7.572441 
1 1 1 -1  1   1  o 543.447 12.613  40196.22  1831.55   36947.98  2586.30   43464.16  2594.13   521.076 18.531  565.817 17.117  -44.74146      25.22644 
1 1 1 -1  1   2  o 481.147 8.8911  31232.85  1145.83   31195.88  1620.42   31269.82  1620.48   480.861 12.581  481.434 12.567  -0.5736694     17.78211 
1 1 1 -1  1   3  o 615.028 11.455  51335.00  1883.22   55138.79  2665.89   47546.09  2660.67   638.065 15.599  591.989 16.780  46.07599       22.91029 
1 1 1 -1  1   4  o 203.129 3.9410  5535.96   214.274   5295.38   302.820   5777.21   303.238   198.701 5.6898  207.556 5.4545  -8.855484      7.881987 
1 1 1 -1  1   5  o 627.203 11.548  53303.91  1940.00   53819.19  2743.87   52788.86  2743.28   630.268 16.254  624.137 16.410  6.131470       23.09674 
1 1 1 -1  1   6  o 359.365 6.6319  17359.85  638.328   17541.28  902.840   17178.51  902.624   361.249 9.3307  357.481 9.4268  3.768494       13.26375 
1 1 1 -1  1   7  o 387.070 7.1972  20147.75  746.157   19972.63  1054.97   20323.04  1055.48   385.380 10.220  388.759 10.136  -3.379059      14.39439 
1 1 1 -1  1   8  o 303.395 5.6424  12356.63  458.519   12292.29  648.289   12421.03  648.599   302.603 7.9984  304.187 7.9606  -1.583862      11.28479 
1 1 1 -1  1   9  o 265.402 5.0472  9450.06   358.785   9389.72   507.208   9510.50   507.590   264.553 7.1579  266.252 7.1176  -1.698792      10.09431 
1 1 1 -1  1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  1   11 o 521.848 9.5492  36684.92  1334.54   37454.80  1887.73   35915.71  1886.92   527.353 13.364  516.343 13.643  11.00983       19.09848 
1 1 1 -1  1   12 o 286.780 5.4032  11035.59  414.945   11307.47  586.885   10763.83  586.756   290.319 7.5473  283.242 7.7341  7.077179       10.80637 
1 1 1 -1  1   13 o 437.901 8.1355  25785.01  953.987   25114.88  1348.46   26456.50  1349.82   432.182 11.649  443.619 11.360  -11.43668      16.27098 
1 1 1 -1  1   14 o 377.818 7.0694  19174.13  715.310   19543.14  1011.71   18805.29  1011.49   381.464 9.9018  374.173 10.093  7.290894       14.13878 
1 1 1 -1  1   15 o 272.820 5.2154  9986.48   380.995   10278.94  538.903   9694.22   538.712   276.821 7.2681  268.819 7.4818  8.001617       10.43089 
1 1 1 -1  1   16 o 70.398  1.9380  663.970   36.538    674.572   51.552    653.267   51.795    70.963  2.7122  69.833  2.7691  1.129967       3.876095 
1 1 1 -1  1   17 o 186.951 3.6941  4686.32   184.960   4763.63   261.480   4608.89   261.666   188.496 5.1790  185.405 5.2691  3.090271       7.388210 
1 1 1 -1  1   18 o 276.474 5.2690  10268.78  390.164   10389.76  551.706   10147.74  551.844   278.108 7.4064  274.840 7.4963  3.268311       10.53797 
1 1 1 -1  1   19 o 171.216 3.3982  3933.15   155.837   3969.40   220.280   3896.83   220.493   172.008 4.7812  170.425 4.8303  1.582596       6.796447 
1 1 1 -1  1   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  1   21 o 152.680 3.1536  3130.14   128.965   3108.84   182.152   3151.55   182.616   152.159 4.4694  153.202 4.4503  -1.043259      6.307166 
1 1 1 -1  1   22 o 37.805  1.7728  192.465   17.846    194.777   25.091    190.098   25.388    38.038  2.4762  37.571  2.5377  0.4665337      3.545630 
1 1 1 -1  1   23 o 188.040 3.7329  4758.15   188.006   4708.77   265.602   4807.73   266.160   187.058 5.3011  189.021 5.2571  -1.962952      7.465808 
1 1 1 -1  1   24 o 209.329 4.0996  5905.25   229.856   5934.41   324.856   5876.01   325.275   209.851 5.7795  208.807 5.8159  1.043335       8.199229 
1 1 1 -1  1   25 o 64.914  1.9775  565.153   34.377    549.883   48.383    580.720   48.852    64.027  2.8212  65.800  2.7718  -1.772591      3.955050 
1 1 1 -1  1   26 o 173.779 3.4848  4064.93   162.203   4037.35   229.153   4092.62   229.627   173.186 4.9400  174.372 4.9165  -1.185562      6.969604 
1 1 1 -1  1   27 o 100.410 2.4142  1353.90   64.927    1337.14   91.491    1370.91   92.154    99.783  3.4232  101.036 3.4052  -1.253555      4.828461 
1 1 1 -1  1   28 o 48.400  1.8792  315.160   24.260    304.283   33.933    326.534   34.697    47.542  2.6756  49.259  2.6394  -1.716400      3.758354 
1 1 1 -1  1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  1   30 o 52.366  1.9883  369.786   27.779    376.777   39.113    362.670   39.460    52.872  2.7715  51.860  2.8517  1.012020       3.976671 
1 1 1 -1  1   31 o 104.618 2.4629  1476.98   69.015    1474.06   97.382    1479.93   97.824    104.515 3.4786  104.721 3.4876  -0.2060089     4.925878 
1 1 1 -1  1   32 o 51.606  1.9237  359.918   26.489    364.576   37.195    355.125   37.733    51.952  2.6821  51.260  2.7584  0.6923141      3.847398 
1 1 1 -1  1   33 o 74.009  2.1380  740.893   42.371    756.896   59.779    724.736   60.065    74.822  2.9828  73.196  3.0637  1.625793       4.275916 
1 1 1 -1  1   34 o 68.229  2.0857  630.586   38.116    630.281   53.666    630.896   54.145    68.216  2.9371  68.242  2.9622  -0.2671051E-01 4.171478 
1 1 1 -1  1   35 o 16.625  2.6217  40.140    11.557    52.812    16.015    26.370    16.694    19.466  3.1815  13.783  4.1678  5.682853       5.243315 
1 1 1 -1  1   36 o 12.746  3.1783  19.785    12.515    19.466    24.013    19.903    14.665    13.319  4.9877  12.174  3.9407  1.145515       6.356626 
1 1 1 -1  1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  1   38 o 20.561  3.1615  63.348    16.224    55.259    27.772    67.539    19.990    19.280  5.2406  21.843  3.5377  -2.562778      6.322920 
1 1 1 -1  1   39 o 38.209  2.4413  200.621   23.860    220.297   39.936    189.700   29.753    39.454  3.8272  36.965  3.0318  2.489262       4.882529 
1 1 1 -1  1   40 o 20.584  3.2619  73.701    17.726    31.757    31.044    93.992    21.592    15.379  5.6884  25.790  3.1941  -10.41063      6.523781 
1 1 1 -1  1   41 o 16.142  3.2921  42.965    15.972    17.719    28.982    53.978    19.142    13.198  5.3221  19.087  3.8765  -5.888786      6.584267 
1 1 1 -1  1   42 o 23.350  3.4184  92.118    19.269    65.532    34.491    104.181   23.233    19.799  5.9914  26.902  3.2931  -7.103054      6.836790 
1 1 1 -1  1   43 o 19.257  3.5749  59.711    17.712    58.254    32.630    60.320    21.090    18.605  5.8632  19.909  4.0916  -1.304359      7.149704 
1 1 1 -1  1   44 o 9.1834  2.9364  -6.5376   15.583    -35.2915  29.637    4.4483    18.319    8.7506  4.2207  9.6162  4.0836  -0.8656092     5.872780 
1 1 1 -1  1   45 o 11.572  3.4325  6.0666    15.930    32.163    31.919    -2.5904   18.384    14.451  5.6638  8.6921  3.8794  5.759365       6.865027 
1 1 1 -1  2   1  o 243.630 4.6237  7964.96   301.724   7999.73   426.787   7930.21   426.617   244.162 6.5260  243.097 6.5519  1.065140       9.247480 
1 1 1 -1  2   2  o 302.126 5.6411  12260.81  456.490   12148.52  645.474   12373.17  645.676   300.738 8.0131  303.514 7.9423  -2.775879      11.28230 
1 1 1 -1  2   3  o 177.496 3.5005  4224.02   166.416   4254.10   235.342   4193.94   235.355   178.129 4.9326  176.864 4.9682  1.265335       7.000939 
1 1 1 -1  2   4  o 233.866 4.4560  7337.71   279.122   7274.13   394.677   7401.34   394.799   232.851 6.3281  234.881 6.2754  -2.030685      8.912084 
1 1 1 -1  2   5  o 56.432  1.7280  426.623   26.117    420.287   36.927    432.965   36.943    56.013  2.4613  56.852  2.4260  -0.8387642     3.455949 
1 1 1 -1  2   6  o 216.337 4.1841  6278.64   242.324   6040.64   342.471   6517.27   342.924   212.225 6.0247  220.450 5.8076  -8.225082      8.368164 
1 1 1 -1  2   7  o 269.455 5.0617  9743.13   365.280   9904.15   516.642   9582.19   516.525   271.686 7.0996  267.225 7.2165  4.460815       10.12333 
1 1 1 -1  2   8  o 113.918 2.4896  1738.95   75.947    1694.00   107.309   1784.07   107.501   112.442 3.5630  115.394 3.4781  -2.951836      4.979165 
1 1 1 -1  2   9  o 125.128 3.7731  2098.88   126.251   1941.99   176.902   2261.73   180.235   120.359 5.4874  129.897 5.1803  -9.538116      7.546287 
1 1 1 -1  2   10 o 161.885 3.2710  3512.28   141.821   3560.71   200.519   3463.81   200.612   163.002 4.5928  160.767 4.6588  2.234772       6.541982 
1 1 1 -1  2   11 o 204.850 3.9492  5625.66   216.662   5523.39   306.218   5728.18   306.594   202.984 5.6322  206.716 5.5373  -3.732071      7.898361 
1 1 1 -1  2   12 o 248.960 4.6944  8311.84   313.029   8390.74   442.645   8232.91   442.735   250.144 6.6066  247.777 6.6710  2.367035       9.388807 
1 1 1 -1  2   13 o 520.924 9.6011  36541.80  1339.21   37612.30  1894.60   35472.83  1893.25   528.590 13.382  513.258 13.772  15.33160       19.20222 
1 1 1 -1  2   14 o 320.844 6.0312  13816.11  518.285   13965.73  732.926   13666.45  733.005   322.585 8.4825  319.103 8.5760  3.482513       12.06243 
1 1 1 -1  2   15 o 115.027 2.5959  1773.05   79.945    1709.30   112.807   1837.36   113.313   112.949 3.7288  117.106 3.6126  -4.156342      5.191741 
1 1 1 -1  2   16 o 418.946 7.7173  23629.54  864.789   22166.88  1221.60   25098.88  1224.40   405.884 11.237  432.008 10.581  -26.12442      15.43466 
1 1 1 -1  2   17 o 318.383 6.0035  13624.55  511.846   13272.37  723.401   13977.63  724.318   314.249 8.5944  322.517 8.3847  -8.268707      12.00697 
1 1 1 -1  2   18 o 135.758 2.8792  2471.19   104.686   2509.19   147.956   2433.10   148.140   136.804 4.0378  134.711 4.1056  2.092789       5.758472 
1 1 1 -1  2   19 o 135.396 2.8290  2458.76   102.593   2433.90   144.914   2483.74   145.265   134.709 4.0163  136.083 3.9854  -1.373825      5.658069 
1 1 1 -1  2   20 o 144.090 4.3063  2796.83   165.962   2679.54   237.576   2908.61   231.937   141.115 6.2855  147.066 5.8880  -5.950867      8.612601 
1 1 1 -1  2   21 o 138.551 2.9064  2577.42   107.843   2622.90   152.379   2531.78   152.648   139.779 4.0700  137.323 4.1501  2.455917       5.812780 
1 1 1 -1  2   22 o 154.553 3.1532  3209.55   130.511   3140.24   184.299   3279.28   184.843   152.874 4.5009  156.232 4.4172  -3.357147      6.306305 
1 1 1 -1  2   23 o 185.317 3.7062  4622.18   183.950   4687.37   260.026   4556.87   260.263   186.632 5.2017  184.002 5.2808  2.629913       7.412430 
1 1 1 -1  2   24 o 31.159  1.9637  131.537   16.165    142.102   22.786    120.832   22.936    32.445  2.6450  29.873  2.9032  2.572035       3.927400 
1 1 1 -1  2   25 o 135.703 2.8916  2474.51   105.101   2452.25   148.420   2496.89   148.850   135.090 4.1019  136.317 4.0767  -1.226730      5.783159 
1 1 1 -1  2   26 o 159.651 3.2818  3430.07   140.300   3335.17   198.078   3525.61   198.754   157.426 4.6975  161.877 4.5840  -4.450851      6.563507 
1 1 1 -1  2   27 o 108.383 2.5037  1578.35   72.680    1589.30   102.590   1567.32   102.981   108.762 3.5216  108.003 3.5599  0.7584229      5.007419 
1 1 1 -1  2   28 o 154.722 3.2395  3228.55   134.222   3302.41   189.654   3154.43   189.985   156.508 4.5241  152.935 4.6379  3.572647       6.479051 
1 1 1 -1  2   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  2   30 o 27.880  2.0634  105.536   15.101    92.725    20.887    119.569   21.859    26.071  3.0485  29.688  2.7814  -3.616735      4.126705 
1 1 1 -1  2   31 o 26.077  2.0894  92.815    14.327    93.332    19.949    92.264    20.587    26.162  2.8954  25.991  3.0131  0.1711597      4.178758 
1 1 1 -1  2   32 o 139.302 3.0383  2644.25   113.363   2628.89   160.116   2659.69   160.525   138.893 4.3039  139.712 4.2896  -0.8192596     6.076587 
1 1 1 -1  2   33 o 50.727  1.9622  348.672   26.549    335.727   37.219    362.082   37.882    49.759  2.8040  51.694  2.7458  -1.934860      3.924475 
1 1 1 -1  2   34 o 40.270  1.9891  222.369   21.106    252.632   29.542    190.816   30.165    43.157  2.5673  37.383  3.0389  5.773125       3.978165 
1 1 1 -1  2   35 o 44.778  1.9987  273.830   23.690    237.202   33.268    311.510   33.743    41.673  3.0006  47.883  2.6411  -6.209980      3.997384 
1 1 1 -1  2   36 o 20.153  2.5564  57.457    13.275    61.079    18.634    53.724    18.916    20.855  3.4570  19.451  3.7668  1.403488       5.112725 
1 1 1 -1  2   37 o 25.727  2.2303  92.000    15.046    93.239    21.353    90.778    21.205    25.905  3.1417  25.549  3.1665  0.3558178      4.460638 
1 1 1 -1  2   38 o 22.283  2.4551  70.340    14.087    60.487    19.622    80.820    20.237    20.562  3.6988  24.004  3.2295  -3.442095      4.910274 
1 1 1 -1  2   39 f 26.799  3.0983  92.674    19.474    136.532   38.745    77.848    22.526    30.320  4.9410  23.277  3.7397  7.043472       6.196626 
1 1 1 -1  2   40 o 49.582  2.5008  351.621   31.692    338.798   51.818    359.284   40.057    48.433  4.0310  50.731  2.9608  -2.298832      5.001543 
1 1 1 -1  2   41 o 34.935  2.7254  176.820   23.632    181.072   40.656    174.650   29.043    34.775  4.4681  35.096  3.1222  -0.3201294     5.450879 
1 1 1 -1  2   42 o 17.051  3.5622  45.650    16.733    46.705    29.523    45.151    20.310    17.020  5.5961  17.081  4.4091  -0.6111717E-01 7.124317 
1 1 1 -1  2   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  2   44 o 18.900  3.7269  55.482    18.215    73.974    33.933    47.997    21.589    20.521  5.8748  17.280  4.5877  3.240734       7.453864 
1 1 1 -1  2   45 o 12.573  3.5678  16.160    16.161    38.788    32.710    8.8530    18.587    15.079  5.7810  10.066  4.1829  5.012497       7.135584 
1 1 1 -1  3   1  o 215.475 4.1345  6227.96   238.609   6306.69   337.515   6149.31   337.373   216.838 5.8112  214.111 5.8828  2.726837       8.269053 
1 1 1 -1  3   2  o 468.227 8.6518  29560.11  1084.97   30009.54  1534.81   29111.19  1533.94   471.807 12.145  464.646 12.325  7.161285       17.30368 
1 1 1 -1  3   3  o 156.740 3.1773  3293.09   133.389   3302.96   188.626   3283.21   188.654   156.975 4.4862  156.505 4.5004  0.4702911      6.354509 
1 1 1 -1  3   4  o 436.478 8.0382  25654.81  939.621   26138.02  1329.27   25172.24  1328.39   440.608 11.263  432.349 11.471  8.259308       16.07632 
1 1 1 -1  3   5  o 248.624 4.6829  8293.94   311.786   8489.74   441.028   8098.30   440.837   251.563 6.5453  245.685 6.6990  5.877838       9.365789 
1 1 1 -1  3   6  o 116.453 2.5269  1817.83   78.767    1894.43   111.428   1741.31   111.360   118.908 3.4986  113.999 3.6470  4.908836       5.053827 
1 1 1 -1  3   7  o 153.230 3.1026  3146.76   127.326   3193.83   180.098   3099.73   180.036   154.377 4.3555  152.084 4.4196  2.292770       6.205110 
1 1 1 -1  3   8  o 379.742 7.0146  19375.33  713.473   19306.43  1008.94   19444.25  1009.07   379.065 9.9371  380.420 9.9031  -1.354797      14.02915 
1 1 1 -1  3   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  3   10 o 438.498 8.1364  25856.30  955.626   25978.40  1351.48   25734.21  1351.44   439.538 11.480  437.459 11.534  2.079041       16.27289 
1 1 1 -1  3   11 o 285.615 5.4214  10946.61  414.579   10579.74  585.922   11314.44  586.686   280.813 7.7899  290.416 7.5422  -9.603180      10.84284 
1 1 1 -1  3   12 o 347.197 6.4452  16187.49  599.082   16781.34  847.620   15594.74  846.840   353.577 8.9501  340.818 9.2766  12.75894       12.89033 
1 1 1 -1  3   13 o 177.784 3.5258  4237.26   167.819   4384.52   237.364   4090.08   237.300   180.876 4.8994  174.693 5.0715  6.183090       7.051542 
1 1 1 -1  3   14 o 115.505 2.5705  1787.55   79.521    1811.17   112.399   1763.89   112.520   116.269 3.6092  114.740 3.6612  1.528236       5.141078 
1 1 1 -1  3   15 o 548.151 10.165  40548.86  1491.36   42296.00  2110.37   38805.91  2107.83   560.034 14.069  536.268 14.675  23.76624       20.32910 
1 1 1 -1  3   16 o 353.001 6.6045  16755.55  624.254   17253.99  883.058   16257.64  882.599   358.269 9.2022  347.732 9.4761  10.53699       13.20895 
1 1 1 -1  3   17 o 147.947 3.0943  2935.09   122.604   2986.98   173.254   2883.05   173.524   149.259 4.3337  146.636 4.4180  2.623108       6.188665 
1 1 1 -1  3   18 o 221.542 4.2729  6594.84   253.437   6354.60   357.978   6836.25   358.853   217.484 6.1452  225.599 5.9387  -8.115082      8.545875 
1 1 1 -1  3   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  3   20 o 149.702 3.1402  3009.40   125.910   2974.74   177.807   3044.26   178.321   148.836 4.4602  150.569 4.4216  -1.732697      6.280423 
1 1 1 -1  3   21 o 159.406 3.3294  3415.00   142.133   3341.64   200.732   3488.76   201.281   157.684 4.7527  161.128 4.6638  -3.444183      6.658777 
1 1 1 -1  3   22 o 175.850 3.5977  4159.79   169.456   4160.44   239.474   4159.13   239.821   175.864 5.0839  175.835 5.0921  0.2876282E-01  7.195462 
1 1 1 -1  3   23 o 199.151 3.9805  5342.73   212.328   5344.63   300.048   5340.82   300.507   199.188 5.6239  199.114 5.6346  0.7330322E-01  7.960987 
1 1 1 -1  3   24 o 103.635 2.4667  1442.30   68.436    1493.40   96.696    1391.03   96.870    105.479 3.4226  101.790 3.5530  3.688255       4.933327 
1 1 1 -1  3   25 f 160.370 3.2709  3459.86   140.494   3498.76   198.539   3420.85   198.839   161.277 4.5960  159.462 4.6554  1.814987       6.541870 
1 1 1 -1  3   26 o 124.921 2.7285  2097.34   91.294    2080.77   128.916   2114.00   129.302   124.425 3.8682  125.417 3.8491  -0.9918365     5.456998 
1 1 1 -1  3   27 o 104.171 2.4885  1458.59   69.434    1460.08   97.947    1457.08   98.443    104.226 3.5085  104.117 3.5300  0.1094894      4.977032 
1 1 1 -1  3   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  3   29 o 33.159  2.0055  148.942   17.568    166.043   25.173    132.705   24.529    35.045  2.7026  31.273  2.9637  3.772490       4.010911 
1 1 1 -1  3   30 o 15.416  2.5887  33.380    10.531    32.672    14.833    34.099    14.954    15.251  3.6745  15.581  3.6475  -0.3301344     5.177495 
1 1 1 -1  3   31 o 63.708  2.0241  548.014   34.478    584.669   48.701    511.182   48.818    65.862  2.7606  61.554  2.9610  4.307606       4.048276 
1 1 1 -1  3   32 o 75.130  2.1515  763.686   43.282    783.727   61.086    743.482   61.334    76.132  2.9956  74.129  3.0891  2.002975       4.303016 
1 1 1 -1  3   33 o 62.718  2.0490  532.521   34.416    519.508   48.374    545.859   48.974    61.938  2.9158  63.498  2.8795  -1.560059      4.097980 
1 1 1 -1  3   34 o 62.821  2.0729  536.113   34.830    564.211   49.002    507.424   49.516    64.512  2.8359  61.129  3.0242  3.383461       4.145833 
1 1 1 -1  3   35 o 34.956  2.0443  167.482   18.901    183.033   26.773    152.030   26.687    36.622  2.7495  33.290  3.0260  3.332325       4.088542 
1 1 1 -1  3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  3   37 o 22.199  2.5511  70.075    14.466    55.441    20.112    85.760    20.821    19.621  3.9634  24.778  3.2130  -5.156889      5.102142 
1 1 1 -1  3   38 o 11.402  2.6818  14.133    11.232    30.474    15.396    -4.4602   16.422    14.477  3.8881  8.3276  3.6946  6.149299       5.363578 
1 1 1 -1  3   39 o 28.960  2.2305  117.956   17.010    112.621   23.787    123.538   24.333    28.264  3.1985  29.656  3.1096  -1.391966      4.460925 
1 1 1 -1  3   40 o 41.105  2.1501  237.661   23.500    241.241   33.098    234.020   33.372    41.443  3.0020  40.767  3.0790  0.6766548      4.300237 
1 1 1 -1  3   41 o 10.073  2.6132  6.6540    10.822    24.862    15.513    -10.6093  15.105    12.972  4.0355  7.1747  3.3213  5.797083       5.226460 
1 1 1 -1  3   42 o 25.855  3.3473  103.988   20.826    102.444   36.769    104.717   25.269    24.987  5.6291  26.724  3.6237  -1.737495      6.694631 
1 1 1 -1  3   43 o 21.549  3.6652  72.432    19.749    87.263    35.427    65.744    23.788    22.607  5.8169  20.491  4.4608  2.116159       7.330410 
1 1 1 -1  3   44 o 15.026  3.7999  34.393    17.921    46.427    33.647    29.627    21.174    16.328  5.9407  13.723  4.7397  2.604600       7.599762 
1 1 1 -1  4   1  o 128.436 2.7331  2210.63   94.022    2219.51   132.988   2201.74   132.947   128.694 3.8580  128.177 3.8724  0.5165710      5.466238 
1 1 1 -1  4   2  o 148.620 3.0287  2960.70   120.544   3026.06   170.592   2895.51   170.359   150.260 4.2386  146.980 4.3273  3.279541       6.057355 
1 1 1 -1  4   3  f 327.351 6.1303  14396.74  537.425   14689.09  760.337   14104.85  759.732   330.683 8.5843  324.020 8.7539  6.662476       12.26052 
1 1 1 -1  4   4  o 136.474 2.8347  2496.77   103.565   2594.41   146.533   2399.33   146.392   139.142 3.9318  133.805 4.0846  5.336670       5.669492 
1 1 1 -1  4   5  o 509.656 9.3897  35013.31  1281.79   35134.42  1812.84   34892.23  1812.62   510.543 13.257  508.769 13.301  1.773743       18.77947 
1 1 1 -1  4   6  o 443.220 8.1384  26429.44  966.151   26445.06  1366.25   26413.81  1366.44   443.351 11.505  443.088 11.514  0.2635193      16.27672 
1 1 1 -1  4   7  o 232.857 4.4143  7271.03   275.321   7306.56   389.331   7235.50   389.393   233.427 6.2270  232.287 6.2586  1.139297       8.828658 
1 1 1 -1  4   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  4   9  o 222.742 4.2784  6652.28   255.231   6552.83   360.820   6751.88   361.083   221.074 6.0935  224.410 6.0073  -3.336136      8.556724 
1 1 1 -1  4   10 o 29.288  1.6060  115.634   12.488    109.498   17.601    121.853   17.720    28.497  2.3263  30.080  2.2149  -1.583521      3.212065 
1 1 1 -1  4   11 o 421.742 7.8134  23906.23  882.502   24369.07  1248.34   23443.83  1247.75   425.837 10.945  417.648 11.154  8.189941       15.62675 
1 1 1 -1  4   12 o 383.507 7.1088  19754.30  730.223   19643.04  1032.53   19865.64  1032.85   382.424 10.080  384.591 10.027  -2.166718      14.21764 
1 1 1 -1  4   13 o 248.605 4.7654  8289.54   317.248   8079.83   448.402   8499.74   448.911   245.452 6.8204  251.758 6.6571  -6.305664      9.530777 
1 1 1 -1  4   14 o 260.879 4.9793  9129.91   347.935   9150.36   491.993   9109.45   492.115   261.171 7.0331  260.586 7.0506  0.5856323      9.958666 
1 1 1 -1  4   15 o 123.780 2.7031  2053.33   89.608    2088.99   126.674   2017.62   126.776   124.856 3.7878  122.703 3.8574  2.152832       5.406181 
1 1 1 -1  4   16 o 116.962 2.5732  1833.73   80.595    1876.56   113.933   1790.82   114.023   118.330 3.5947  115.593 3.6827  2.736900       5.146317 
1 1 1 -1  4   17 o 58.514  1.8542  458.787   29.060    458.502   41.047    459.073   41.147    58.496  2.6198  58.532  2.6246  -0.3634644E-01 3.708314 
1 1 1 -1  4   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  4   19 o 171.625 3.4474  3957.27   158.451   4036.13   223.992   3878.29   224.174   173.342 4.8244  169.908 4.9259  3.433899       6.894829 
1 1 1 -1  4   20 o 62.781  1.9594  528.877   32.914    554.891   46.459    502.663   46.637    64.334  2.6961  61.228  2.8438  3.106152       3.918704 
1 1 1 -1  4   21 o 84.356  2.1650  954.502   48.896    918.222   68.846    991.427   69.456    82.736  3.1067  85.975  3.0161  -3.238800      4.329922 
1 1 1 -1  4   22 o 143.297 2.9682  2758.81   113.922   2779.27   160.907   2738.25   161.313   143.832 4.1767  142.762 4.2186  1.069977       5.936418 
1 1 1 -1  4   23 o 130.328 2.8244  2281.69   98.594    2294.04   139.239   2269.27   139.627   130.684 3.9779  129.973 4.0108  0.7108307      5.648856 
1 1 1 -1  4   24 o 142.627 3.0196  2734.28   115.353   2707.29   162.884   2761.43   163.384   141.919 4.2850  143.335 4.2557  -1.415512      6.039196 
1 1 1 -1  4   25 o 165.239 3.3711  3675.42   149.197   3702.63   210.847   3648.13   211.145   165.855 4.7462  164.622 4.7885  1.232544       6.742175 
1 1 1 -1  4   26 o 45.959  1.8960  284.534   23.223    293.684   32.705    275.229   32.982    46.712  2.6246  45.205  2.7368  1.506390       3.791928 
1 1 1 -1  4   27 o 68.117  2.9029  622.130   52.449    578.751   69.986    677.707   79.217    65.435  4.0125  70.799  4.1961  -5.364105      5.805760 
1 1 1 -1  4   28 o 104.780 2.5047  1478.48   70.294    1471.03   99.141    1486.01   99.683    104.514 3.5415  105.045 3.5429  -0.5308380     5.009445 
1 1 1 -1  4   29 o 53.040  1.9435  379.382   27.514    373.082   38.765    385.777   39.058    52.593  2.7615  53.486  2.7355  -0.8931694     3.887005 
1 1 1 -1  4   30 o 25.535  2.0558  89.012    13.804    89.547    19.299    88.452    19.753    25.622  2.8609  25.448  2.9529  0.1744556      4.111507 
1 1 1 -1  4   31 o 108.724 2.5966  1604.01   75.617    1600.66   106.791   1607.38   107.088   108.611 3.6709  108.838 3.6734  -0.2268143     5.193223 
1 1 1 -1  4   32 o 53.517  1.9835  388.238   28.332    408.551   39.891    367.564   40.245    54.989  2.7084  52.046  2.8984  2.942513       3.966900 
1 1 1 -1  4   33 o 10.660  2.6842  13.457    9.6588    14.391    13.328    12.424    14.017    10.809  3.7588  10.512  3.8329  0.2970934      5.368396 
1 1 1 -1  4   34 o 55.013  2.0046  411.209   29.467    394.172   41.387    428.725   41.965    53.808  2.8821  56.218  2.7869  -2.410336      4.009171 
1 1 1 -1  4   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  4   36 o 30.211  2.1585  126.015   17.208    118.522   23.917    134.057   24.777    29.258  3.0991  31.164  3.0055  -1.906185      4.317097 
1 1 1 -1  4   37 o 36.230  2.1156  181.627   20.340    187.043   28.818    176.250   28.712    36.788  2.9494  35.672  3.0338  1.115643       4.231147 
1 1 1 -1  4   38 o 62.638  2.1575  544.316   36.112    559.624   50.726    528.587   51.422    63.617  2.9770  61.660  3.1237  1.956963       4.315083 
1 1 1 -1  4   39 o 9.3918  2.6732  5.6827    10.488    12.515    15.561    -0.0051   14.198    10.562  4.0020  8.2214  3.5450  2.340706       5.346313 
1 1 1 -1  4   40 o 12.296  2.7572  19.141    11.616    36.356    16.494    2.2006    16.362    15.561  3.9503  9.0301  3.8475  6.531218       5.514385 
1 1 1 -1  4   41 o 21.476  2.8270  69.093    15.607    57.023    21.639    82.178    22.531    19.310  4.2948  23.643  3.6774  -4.332642      5.654099 
1 1 1 -1  4   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  4   43 o 15.587  2.9341  37.165    13.632    17.157    18.898    58.873    19.684    11.543  4.4015  19.632  3.8809  -8.089019      5.868106 
1 1 1 -1  4   44 o 16.689  3.7882  49.156    18.502    45.591    35.334    50.503    21.718    15.921  6.0311  17.456  4.5855  -1.535026      7.576361 
1 1 1 -1  5   1  o 144.818 2.9862  2810.77   115.830   2793.26   163.789   2828.29   163.828   144.367 4.2357  145.270 4.2104  -0.9032135     5.972350 
1 1 1 -1  5   2  o 197.075 3.8354  5207.63   202.446   5272.97   286.389   5142.38   286.215   198.312 5.3916  195.838 5.4564  2.473740       7.670838 
1 1 1 -1  5   3  o 114.252 2.4889  1748.98   76.166    1756.13   107.832   1741.87   107.599   114.485 3.5165  114.019 3.5232  0.4660187      4.977864 
1 1 1 -1  5   4  o 316.399 5.9180  13443.46  501.350   13876.45  709.444   13011.50  708.591   321.502 8.2385  311.296 8.4983  10.20529       11.83610 
1 1 1 -1  5   5  o 173.727 3.4690  4045.30   161.417   4014.53   228.247   4076.09   228.309   173.065 4.9239  174.388 4.8878  -1.322891      6.937962 
1 1 1 -1  5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  5   7  o 327.061 6.0556  14358.98  530.483   14266.05  750.134   14451.95  750.299   326.000 8.5908  328.122 8.5371  -2.121918      12.11127 
1 1 1 -1  5   8  o 698.473 12.853  65995.57  2404.52   65926.57  3400.41   66064.59  3400.60   698.104 18.185  698.842 18.167  -0.7373047     25.70514 
1 1 1 -1  5   9  o 499.641 9.2232  33600.42  1234.32   33679.98  1745.60   33520.85  1745.58   500.236 13.028  499.046 13.059  1.189056       18.44641 
1 1 1 -1  5   10 o 222.431 4.2634  6634.33   253.915   6843.11   359.222   6425.86   358.958   225.933 5.9360  218.929 6.1214  7.003342       8.526894 
1 1 1 -1  5   11 f 368.226 6.8747  18207.69  678.041   18158.45  958.792   18256.94  958.997   367.727 9.7344  368.725 9.7101  -0.9983521     13.74938 
1 1 1 -1  5   12 o 233.278 4.4339  7296.58   277.043   7323.45   391.734   7269.69   391.862   233.709 6.2579  232.848 6.2831  0.8605957      8.867809 
1 1 1 -1  5   13 o 416.740 7.7636  23354.18  866.487   22904.66  1224.90   23804.42  1225.89   412.710 11.081  420.769 10.877  -8.059357      15.52729 
1 1 1 -1  5   14 o 262.147 4.9749  9222.09   349.288   9075.27   493.724   9369.20   494.211   260.054 7.0881  264.240 6.9827  -4.185577      9.949894 
1 1 1 -1  5   15 f 270.766 5.2162  9847.36   378.284   9727.04   534.748   9967.88   535.200   269.106 7.4189  272.426 7.3346  -3.320129      10.43246 
1 1 1 -1  5   16 o 25.251  1.8031  86.642    11.958    95.668    16.825    77.432    16.997    26.615  2.3855  23.886  2.7043  2.728764       3.606116 
1 1 1 -1  5   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  5   18 o 104.815 2.4201  1473.98   67.906    1529.61   96.017    1418.31   96.050    106.797 3.3566  102.833 3.4872  3.964470       4.840173 
1 1 1 -1  5   19 o 89.777  2.2050  1080.91   53.022    1071.87   74.837    1090.01   75.133    89.400  3.1253  90.154  3.1114  -0.7539063     4.410051 
1 1 1 -1  5   20 f 199.911 3.9066  5378.81   209.160   5287.12   295.546   5470.81   296.048   198.197 5.5672  201.626 5.4818  -3.428818      7.813101 
1 1 1 -1  5   21 o 63.676  1.9431  544.025   33.122    561.812   46.661    525.961   47.023    64.728  2.6914  62.625  2.8033  2.102676       3.886147 
1 1 1 -1  5   22 o 91.558  2.3010  1124.86   56.428    1115.69   79.617    1134.12   79.987    91.183  3.2599  91.934  3.2483  -0.7508621     4.601996 
1 1 1 -1  5   23 o 173.865 3.5243  4067.99   164.117   4012.63   231.829   4123.60   232.365   172.674 5.0125  175.055 4.9557  -2.381042      7.048684 
1 1 1 -1  5   24 o 46.223  1.8980  287.955   23.362    301.371   32.743    274.042   33.344    47.333  2.5925  45.113  2.7729  2.219135       3.796015 
1 1 1 -1  5   25 o 29.572  2.0025  118.333   15.658    115.823   21.696    121.062   22.622    29.246  2.8040  29.899  2.8596  -0.6535778     4.004973 
1 1 1 -1  5   26 o 40.726  1.9461  223.859   21.081    234.775   29.747    212.845   29.880    41.737  2.6750  39.716  2.8273  2.021004       3.892227 
1 1 1 -1  5   27 o 74.883  4.1776  758.622   83.458    0.0000    0.0000    758.622   83.458    ?       ?       74.883  4.1776  ?              ?        
1 1 1 -1  5   28 o 29.969  2.0266  122.462   15.976    134.031   22.336    110.343   22.860    31.463  2.6758  28.474  3.0445  2.988949       4.053236 
1 1 1 -1  5   29 o 34.314  1.9350  159.798   17.600    167.409   24.565    151.771   25.228    35.175  2.6262  33.452  2.8426  1.723442       3.870063 
1 1 1 -1  5   30 o 53.659  1.9743  389.323   28.278    388.047   39.892    390.612   40.090    53.570  2.7898  53.747  2.7945  -0.1764297     3.948668 
1 1 1 -1  5   31 o 84.112  2.2392  958.166   50.447    956.539   71.036    959.821   71.652    84.044  3.1556  84.181  3.1778  -0.1374588     4.478443 
1 1 1 -1  5   32 o 53.946  2.0028  394.937   28.835    392.099   40.475    397.861   41.089    53.751  2.8212  54.140  2.8434  -0.3888969     4.005514 
1 1 1 -1  5   33 o 25.653  2.1652  90.666    14.574    92.771    20.451    88.494    20.773    25.974  2.9944  25.331  3.1282  0.6435089      4.330367 
1 1 1 -1  5   34 o 28.602  2.0931  112.475   15.799    114.632   22.271    110.289   22.417    28.891  2.9179  28.313  3.0018  0.5785027      4.186279 
1 1 1 -1  5   35 o 33.115  2.1242  151.185   18.598    160.067   26.164    142.114   26.441    34.141  2.8882  32.089  3.1156  2.051601       4.248380 
1 1 1 -1  5   36 o 17.124  2.8112  42.658    12.662    46.361    17.562    38.650    18.272    17.949  3.7727  16.299  4.1688  1.650043       5.622468 
1 1 1 -1  5   37 o 71.541  2.2296  708.380   42.721    710.272   60.073    706.445   60.766    71.655  3.1300  71.428  3.1762  0.2271576      4.459266 
1 1 1 -1  5   38 o 8.3954  2.4729  -0.9693   10.124    11.094    13.923    -14.5049  14.748    10.033  3.7895  6.7575  3.1783  3.275698       4.945862 
1 1 1 -1  5   39 o 32.886  2.2851  153.793   19.808    163.416   27.763    143.816   28.270    34.028  3.0795  31.744  3.3768  2.284031       4.570136 
1 1 1 -1  5   40 f 11.573  2.6388  14.712    11.685    35.103    15.748    -10.2710  17.431    15.291  3.8480  7.8558  3.6118  7.435021       5.277571 
1 1 1 -1  5   41 o 14.197  5.8099  22.716    35.138    22.716    35.138    0.0000    0.0000    14.197  5.8099  ?       ?       ?              ?        
1 1 1 -1  5   42 o 11.047  3.0094  14.494    12.661    17.676    17.481    10.984    18.361    11.537  4.2684  10.558  4.2436  0.9796219      6.018889 
1 1 1 -1  5   43 o 18.464  3.0659  54.427    14.926    59.673    21.370    49.430    20.857    19.426  4.2273  17.502  4.4417  1.924244       6.131827 
1 1 1 -1  6   1  o 308.776 5.7809  12801.21  478.072   12612.49  675.923   12990.13  676.269   306.493 8.2336  311.058 8.1169  -4.565674      11.56180 
1 1 1 -1  6   2  o 188.443 3.6773  4760.36   185.606   4747.18   262.518   4773.54   262.456   188.182 5.2083  188.704 5.1926  -0.5223236     7.354542 
1 1 1 -1  6   3  o 365.897 6.7845  17987.75  664.841   18311.25  940.582   17664.74  939.871   369.194 9.5116  362.599 9.6773  6.595764       13.56907 
1 1 1 -1  6   4  o 339.511 6.3448  15479.92  576.862   15858.15  816.268   15102.55  815.344   343.665 8.8676  335.357 9.0770  8.307922       12.68968 
1 1 1 -1  6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  6   6  o 415.293 7.6583  23193.59  851.147   24320.13  1204.59   22070.37  1202.82   425.405 10.572  405.182 11.083  20.22290       15.31657 
1 1 1 -1  6   7  o 211.634 4.0667  6004.69   230.503   5901.76   325.879   6107.75   326.082   209.817 5.7986  213.451 5.7035  -3.633881      8.133488 
1 1 1 -1  6   8  f 544.648 9.9904  39958.61  1457.43   40025.97  2061.15   39891.25  2061.08   545.110 14.117  544.187 14.140  0.9234009      19.98080 
1 1 1 -1  6   9  o 337.078 6.2821  15250.77  567.183   15322.73  802.129   15178.81  802.107   337.875 8.8634  336.280 8.9052  1.594025       12.56429 
1 1 1 -1  6   10 o 139.442 2.8670  2605.33   107.076   2633.96   151.439   2576.71   151.417   140.209 4.0325  138.676 4.0765  1.532776       5.733998 
1 1 1 -1  6   11 o 454.532 8.3958  27786.01  1022.12   27502.85  1445.23   28069.38  1445.77   452.206 11.932  456.859 11.815  -4.652679      16.79170 
1 1 1 -1  6   12 o 405.981 7.4989  22156.43  815.437   22167.86  1153.17   22145.00  1153.23   406.086 10.602  405.876 10.608  0.2103577      14.99774 
1 1 1 -1  6   13 o 476.426 8.7940  30589.13  1122.02   29952.26  1586.17   31226.96  1587.38   471.432 12.561  481.419 12.310  -9.986786      17.58791 
1 1 1 -1  6   14 o 268.489 5.1052  9680.99   367.121   9778.63   519.135   9583.32   519.239   269.847 7.1825  267.131 7.2569  2.716125       10.21034 
1 1 1 -1  6   15 o 379.083 7.0959  19385.81  720.432   19680.08  1018.93   19091.63  1018.76   381.980 9.9590  376.185 10.111  5.795074       14.19180 
1 1 1 -1  6   16 o 209.869 5.8723  5947.38   329.489   6310.79   463.497   5576.11   468.480   216.411 7.9961  203.327 8.6022  13.08446       11.74457 
1 1 1 -1  6   17 o 69.510  1.9522  647.870   36.319    615.985   51.204    680.152   51.522    67.787  2.8201  71.233  2.7004  -3.446068      3.904490 
1 1 1 -1  6   18 o 74.575  2.0416  745.958   40.761    770.385   57.553    721.374   57.737    75.801  2.8347  73.348  2.9389  2.453903       4.083159 
1 1 1 -1  6   19 o 174.150 3.5179  4078.13   164.063   4170.88   231.958   3985.28   232.083   176.140 4.9166  172.160 5.0329  3.979370       7.035851 
1 1 1 -1  6   20 o 263.664 5.1183  9394.10   361.457   9455.15   511.027   9332.98   511.327   264.530 7.2124  262.798 7.2642  1.731201       10.23656 
1 1 1 -1  6   21 o 38.317  1.8399  197.823   18.766    200.805   26.389    194.773   26.693    38.614  2.5661  38.021  2.6374  0.5931625      3.679774 
1 1 1 -1  6   22 o 188.007 3.7594  4759.34   189.309   4794.89   267.566   4723.71   267.879   188.715 5.2934  187.300 5.3396  1.414597       7.518783 
1 1 1 -1  6   23 o 59.650  1.9651  477.398   31.389    485.955   44.211    468.700   44.574    60.191  2.7423  59.110  2.8154  1.080730       3.930174 
1 1 1 -1  6   24 o 212.551 4.2110  6102.37   239.717   6186.71   338.842   6017.86   339.181   214.035 5.9105  211.067 5.9996  2.967590       8.421937 
1 1 1 -1  6   25 o 91.331  2.2935  1121.18   56.073    1161.12   79.096    1080.82   79.504    92.973  3.1762  89.689  3.3095  3.283768       4.587036 
1 1 1 -1  6   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  6   27 o 107.637 2.5475  1561.53   73.443    1564.04   103.588   1558.98   104.142   107.727 3.5900  107.548 3.6152  0.1791534      5.094932 
1 1 1 -1  6   28 o 87.216  2.2616  1025.39   52.807    984.889   74.322    1066.68   75.045    85.468  3.2466  88.964  3.1494  -3.495628      4.523121 
1 1 1 -1  6   29 o 38.998  1.9223  205.988   19.934    195.133   28.103    216.979   28.278    37.949  2.7843  40.048  2.6512  -2.099007      3.844625 
1 1 1 -1  6   30 o 109.137 2.5424  1616.78   74.319    1604.45   104.867   1629.23   105.340   108.716 3.6013  109.557 3.5897  -0.8410492     5.084824 
1 1 1 -1  6   31 o 62.626  2.0472  531.188   34.312    553.576   48.392    508.554   48.658    63.970  2.8243  61.282  2.9643  2.687614       4.094362 
1 1 1 -1  6   32 o 22.197  2.3398  68.981    13.098    49.238    18.098    90.693    18.979    18.665  3.7502  25.729  2.7991  -7.063454      4.679646 
1 1 1 -1  6   33 o 24.755  2.2592  84.880    14.610    86.523    20.299    83.116    21.045    25.032  3.0934  24.478  3.2934  0.5544395      4.518383 
1 1 1 -1  6   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  6   35 o 8.5192  2.4955  2.5066    9.4038    -1.2561   12.984    6.6574    13.638    7.7891  3.3742  9.2493  3.6776  -1.460196      4.991038 
1 1 1 -1  6   36 o 40.651  2.0949  228.330   22.636    216.630   31.658    240.568   32.378    39.560  3.0102  41.741  2.9142  -2.181034      4.189787 
1 1 1 -1  6   37 o 8.1123  2.4919  -1.1666   10.054    -1.8740   13.802    -0.3671   14.674    7.8863  3.4468  8.3383  3.5996  -0.4520040     4.983711 
1 1 1 -1  6   38 o 25.591  2.4921  94.672    16.431    108.537   23.151    80.598    23.325    27.676  3.1810  23.506  3.8372  4.169785       4.984207 
1 1 1 -1  6   39 o 16.318  2.9616  40.529    13.370    28.326    18.988    52.529    18.830    13.844  4.4844  18.793  3.8697  -4.948373      5.923226 
1 1 1 -1  6   40 o 11.839  2.8775  17.122    12.013    3.7693    16.720    31.367    17.270    9.2937  3.9214  14.385  4.2124  -5.091046      5.755097 
1 1 1 -1  6   41 o 18.660  3.1067  53.920    15.320    62.588    22.245    46.098    21.130    20.185  4.2490  17.136  4.5335  3.048620       6.213433 
1 1 1 -1  6   42 o 11.855  3.1069  19.312    13.136    17.409    18.853    21.107    18.312    11.562  4.3992  12.149  4.3884  -0.5873308     6.213783 
1 1 1 -1  7   1  o 201.012 3.9349  5417.03   211.853   5371.00   299.512   5463.12   299.699   200.156 5.5867  201.867 5.5428  -1.710770      7.869833 
1 1 1 -1  7   2  o 227.313 4.3672  6928.70   265.899   6944.90   376.099   6912.51   375.978   227.579 6.1699  227.047 6.1824  0.5318756      8.734423 
1 1 1 -1  7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  7   4  o 155.480 3.1375  3239.57   130.660   3217.50   184.920   3261.56   184.644   154.951 4.4555  156.009 4.4187  -1.058044      6.275077 
1 1 1 -1  7   5  o 359.736 6.6547  17378.46  641.178   17599.02  907.103   17158.22  906.423   362.023 9.3547  357.449 9.4673  4.574036       13.30946 
1 1 1 -1  7   6  o 318.833 5.9219  13642.25  505.725   13629.15  715.259   13655.34  715.148   318.680 8.3795  318.987 8.3702  -0.3067017     11.84383 
1 1 1 -1  7   7  o 389.707 7.1846  20401.56  749.839   19993.23  1060.13   20810.35  1060.73   385.793 10.259  393.621 10.061  -7.827484      14.36925 
1 1 1 -1  7   8  o 356.996 6.6459  17112.73  635.351   17535.14  898.882   16691.00  898.162   361.410 9.2857  352.582 9.5105  8.827301       13.29188 
1 1 1 -1  7   9  o 115.589 2.5496  1790.05   78.931    1765.44   111.571   1814.70   111.681   114.793 3.6286  116.384 3.5826  -1.591148      5.099224 
1 1 1 -1  7   10 o 220.398 4.2317  6512.89   249.782   6623.43   353.304   6402.42   353.188   222.270 5.9344  218.526 6.0341  3.743729       8.463342 
1 1 1 -1  7   11 o 434.031 8.0597  25341.90  936.917   25679.60  1325.23   25004.44  1324.77   436.935 11.324  431.128 11.472  5.806885       16.11942 
1 1 1 -1  7   12 o 75.700  1.9908  767.696   40.365    765.408   57.025    769.994   57.145    75.587  2.8167  75.813  2.8142  -0.2260971     3.981580 
1 1 1 -1  7   13 o 174.465 3.4850  4081.79   162.853   4044.90   230.191   4118.76   230.426   173.675 4.9484  175.255 4.9088  -1.580490      6.970100 
1 1 1 -1  7   14 o 151.035 3.1189  3060.81   126.077   3200.20   178.374   2921.66   178.224   154.477 4.3110  147.592 4.5083  6.884933       6.237758 
1 1 1 -1  7   15 o 269.468 7.2860  9824.18   525.862   9824.95   740.740   9823.40   746.659   269.489 10.262  269.446 10.346  0.4345703E-01  14.57204 
1 1 1 -1  7   16 f 211.907 4.1162  6038.76   233.582   5892.41   330.061   6185.59   330.608   209.325 5.8869  214.489 5.7547  -5.164017      8.232327 
1 1 1 -1  7   17 o 55.602  1.8491  415.348   27.424    380.947   38.600    450.412   38.971    53.237  2.7160  57.967  2.5099  -4.730331      3.698184 
1 1 1 -1  7   18 o 329.319 6.1751  14697.96  544.616   14970.25  770.222   14425.69  770.185   332.406 8.6508  326.233 8.8141  6.173370       12.35011 
1 1 1 -1  7   19 o 210.256 4.1862  5955.59   235.754   5937.29   333.194   5973.93   333.620   209.932 5.9256  210.581 5.9149  -0.6489105     8.372443 
1 1 1 -1  7   20 o 97.129  2.3278  1265.96   60.545    1228.10   85.355    1304.29   85.894    95.665  3.3311  98.593  3.2526  -2.927490      4.655685 
1 1 1 -1  7   21 o 50.546  1.9388  343.680   26.149    347.255   36.884    340.068   37.077    50.813  2.7199  50.279  2.7637  0.5338020      3.877655 
1 1 1 -1  7   22 o 89.629  2.2511  1077.99   54.038    1062.74   76.130    1093.48   76.716    88.989  3.1940  90.268  3.1729  -1.278778      4.502114 
1 1 1 -1  7   23 o 84.529  2.2135  959.019   50.113    943.534   70.599    974.745   71.144    83.840  3.1438  85.217  3.1169  -1.377052      4.427049 
1 1 1 -1  7   24 o 81.107  2.1926  883.398   47.613    850.011   67.012    917.436   67.662    79.556  3.1448  82.658  3.0562  -3.101517      4.385174 
1 1 1 -1  7   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  7   26 o 32.282  2.0291  141.597   17.303    151.639   24.222    131.133   24.727    33.482  2.7246  31.083  3.0076  2.399021       4.058220 
1 1 1 -1  7   27 o 11.018  2.5694  15.106    9.0955    8.7942    12.969    21.216    12.760    9.6159  3.6511  12.420  3.6161  -2.804179      5.138779 
1 1 1 -1  7   28 o 9.8013  2.4332  10.416    8.2825    3.8014    11.647    17.183    11.781    8.2952  3.3637  11.307  3.5166  -3.012071      4.866299 
1 1 1 -1  7   29 o 83.213  2.2203  936.458   49.483    942.180   69.727    930.653   70.235    83.474  3.1186  82.951  3.1611  0.5231018      4.440569 
1 1 1 -1  7   30 o 47.880  1.9371  310.785   24.736    311.304   34.740    310.252   35.229    47.925  2.7175  47.834  2.7614  0.9062576E-01  3.874263 
1 1 1 -1  7   31 f 46.093  1.9704  288.613   24.207    287.572   33.841    289.703   34.640    46.015  2.7585  46.172  2.8144  -0.1575470     3.940807 
1 1 1 -1  7   32 o 38.437  2.0282  201.423   20.721    193.519   28.883    209.804   29.743    37.652  2.8859  39.222  2.8507  -1.569447      4.056477 
1 1 1 -1  7   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  7   34 o 29.429  2.1518  119.770   16.705    122.359   23.399    117.078   23.856    29.777  2.9736  29.081  3.1110  0.6961079      4.303526 
1 1 1 -1  7   35 o 40.126  2.0870  222.394   22.246    231.705   31.259    212.839   31.667    41.016  2.8633  39.235  3.0369  1.781120       4.173915 
1 1 1 -1  7   36 o 42.836  2.0843  254.373   23.767    251.763   33.364    257.062   33.866    42.616  2.9409  43.057  2.9544  -0.4412956     4.168602 
1 1 1 -1  7   37 o 27.219  2.3814  106.136   16.661    127.521   23.692    85.215    23.434    30.159  2.9715  24.280  3.7221  5.878662       4.762808 
1 1 1 -1  7   38 o 18.240  2.8223  49.668    13.405    50.642    18.909    48.684    19.006    18.442  3.9473  18.038  4.0349  0.4038811      5.644560 
1 1 1 -1  7   39 o 14.557  3.1147  31.991    13.309    26.540    18.814    37.451    18.829    13.456  4.4693  15.657  4.3395  -2.201162      6.229475 
1 1 1 -1  7   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  7   41 o 9.2097  2.7862  2.9851    12.219    3.7961    16.874    2.0910    17.717    9.2307  3.9195  9.1887  3.9610  0.4201794E-01  5.572454 
1 1 1 -1  7   42 f 10.525  2.9763  12.160    12.670    9.9926    17.174    14.748    18.769    10.046  4.0808  11.005  4.3337  -0.9584656     5.952656 
1 1 1 -1  8   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  8   2  o 175.441 3.5020  4125.43   164.554   4183.77   232.782   4067.16   232.647   176.681 4.9189  174.200 4.9861  2.481491       7.004075 
1 1 1 -1  8   3  o 290.256 5.4693  11304.30  425.160   11511.88  601.519   11097.07  601.016   292.923 7.6667  287.588 7.8024  5.335022       10.93867 
1 1 1 -1  8   4  o 719.032 13.236  69962.58  2549.17   70515.44  3605.66   69410.07  3604.50   721.901 18.647  716.164 18.791  5.737061       26.47292 
1 1 1 -1  8   5  o 557.063 10.229  41813.48  1526.14   41180.57  2157.97   42446.75  2158.61   552.821 14.574  561.306 14.358  -8.484985      20.45823 
1 1 1 -1  8   6  o 297.011 5.5147  11834.50  438.714   11819.86  620.524   11849.14  620.346   296.827 7.8049  297.195 7.7930  -0.3681946     11.02936 
1 1 1 -1  8   7  o 612.628 11.236  50623.77  1843.47   51503.18  2607.86   49745.43  2606.27   617.982 15.755  607.273 16.023  10.70935       22.47133 
1 1 1 -1  8   8  o 520.135 9.5842  36429.29  1335.02   37229.93  1888.72   35629.86  1887.28   525.877 13.409  514.394 13.698  11.48291       19.16849 
1 1 1 -1  8   9  o 278.813 5.2427  10429.03  391.508   10325.76  553.611   10532.35  553.740   277.430 7.4501  280.196 7.3783  -2.766357      10.48537 
1 1 1 -1  8   10 o 491.514 9.0583  32544.83  1192.48   32160.76  1686.07   32929.21  1686.78   488.597 12.884  494.432 12.737  -5.835846      18.11666 
1 1 1 -1  8   11 f 301.551 5.6327  12212.09  454.928   12061.09  643.109   12363.33  643.623   299.680 8.0119  303.422 7.9195  -3.741180      11.26539 
1 1 1 -1  8   12 o 296.189 5.5664  11792.77  441.464   12134.58  624.504   11451.34  624.145   300.494 7.7591  291.883 7.9834  8.611603       11.13274 
1 1 1 -1  8   13 o 178.136 3.5472  4257.90   169.246   4282.88   239.281   4232.89   239.419   178.660 5.0003  177.612 5.0327  1.047958       7.094380 
1 1 1 -1  8   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  8   15 o 131.845 2.8149  2332.57   99.400    2361.35   140.514   2303.74   140.632   132.660 3.9545  131.029 4.0071  1.631668       5.629797 
1 1 1 -1  8   16 o 170.442 3.4478  3903.50   157.402   3904.14   222.490   3902.86   222.711   170.456 4.8731  170.428 4.8788  0.2857971E-01  6.895664 
1 1 1 -1  8   17 o 112.968 2.5575  1712.59   77.385    1715.16   109.310   1710.00   109.569   113.054 3.6098  112.883 3.6239  0.1709900      5.114993 
1 1 1 -1  8   18 o 89.453  2.2178  1073.78   53.113    1109.32   75.024    1038.07   75.204    90.940  3.0800  87.966  3.1918  2.973831       4.435579 
1 1 1 -1  8   19 o 187.536 3.7471  4734.18   188.170   4601.34   265.758   4867.72   266.468   184.885 5.3665  190.186 5.2309  -5.300522      7.494152 
1 1 1 -1  8   20 o 65.077  2.0433  568.115   35.613    575.982   50.255    560.180   50.474    65.531  2.8631  64.624  2.9160  0.9069672      4.086626 
1 1 1 -1  8   21 o 20.371  2.5141  61.230    12.697    94.830    17.941    27.514    17.972    26.469  2.5626  14.274  4.3261  12.19558       5.028136 
1 1 1 -1  8   22 o 68.748  2.0605  634.409   37.928    651.763   53.492    616.865   53.787    69.696  2.8654  67.801  2.9618  1.895889       4.121028 
1 1 1 -1  8   23 o 28.677  1.9730  111.460   14.940    118.561   21.227    104.488   21.032    29.601  2.7072  27.753  2.8708  1.847675       3.945983 
1 1 1 -1  8   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  8   25 o 54.390  1.9976  398.036   29.019    376.079   40.640    420.876   41.449    52.816  2.8837  55.964  2.7652  -3.147762      3.995218 
1 1 1 -1  8   26 o 33.663  1.9419  153.318   17.350    147.964   24.194    158.988   24.895    33.053  2.7580  34.274  2.7346  -1.220280      3.883873 
1 1 1 -1  8   27 o 54.559  2.0069  402.911   29.132    443.194   41.083    362.168   41.317    57.374  2.6734  51.745  2.9939  5.628624       4.013741 
1 1 1 -1  8   28 f 55.893  1.9625  421.899   29.324    409.395   41.204    434.730   41.741    55.015  2.8056  56.772  2.7450  -1.757660      3.925050 
1 1 1 -1  8   29 o 70.291  2.1030  669.088   39.552    698.175   55.642    639.380   56.233    71.856  2.8910  68.726  3.0548  3.130386       4.205913 
1 1 1 -1  8   30 o 50.773  1.9848  350.579   26.830    372.040   37.671    328.487   38.221    52.384  2.6940  49.162  2.9156  3.222488       3.969680 
1 1 1 -1  8   31 o 70.673  2.1131  678.586   39.977    700.514   56.312    656.305   56.763    71.845  2.9263  69.502  3.0492  2.343300       4.226189 
1 1 1 -1  8   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  8   33 o 48.508  2.0257  321.867   26.197    314.321   36.662    329.739   37.446    47.924  2.8693  49.092  2.8601  -1.168343      4.051334 
1 1 1 -1  8   34 f 21.264  2.5094  64.116    13.785    63.033    19.225    65.261    19.777    21.081  3.5295  21.447  3.5680  -0.3655262     5.018798 
1 1 1 -1  8   35 f 39.833  2.1369  220.282   22.449    187.863   31.261    254.804   32.259    36.700  3.2125  42.967  2.8186  -6.267025      4.273740 
1 1 1 -1  8   36 o 14.298  2.9086  30.042    11.763    27.596    16.617    32.500    16.654    13.761  4.1575  14.835  4.0689  -1.073929      5.817252 
1 1 1 -1  8   37 o 21.660  2.6676  68.872    14.861    72.588    20.477    64.738    21.600    22.402  3.5296  20.919  4.0008  1.482920       5.335232 
1 1 1 -1  8   38 o 20.593  2.8453  63.240    15.109    62.191    20.743    64.425    22.052    20.453  3.9291  20.732  4.1163  -0.2788582     5.690513 
1 1 1 -1  8   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  8   40 o 9.6262  2.7821  6.0334    11.836    14.015    16.161    -3.1993   17.382    10.741  4.0765  8.5110  3.7873  2.230447       5.564294 
1 1 1 -1  8   41 o 11.719  2.9819  17.039    12.832    4.0121    17.709    31.440    18.619    9.3568  3.9952  14.081  4.4278  -4.724121      5.963755 
1 1 1 -1  9   1  o 380.645 7.0865  19463.60  722.497   19367.47  1021.53   19559.81  1022.00   379.702 10.044  381.588 9.9993  -1.885986      14.17294 
1 1 1 -1  9   2  o 148.011 3.0698  2935.85   121.681   3000.05   172.139   2871.73   172.028   149.629 4.2951  146.392 4.3872  3.236588       6.139684 
1 1 1 -1  9   3  o 594.629 10.884  47678.88  1733.54   47491.69  2451.57   47866.08  2451.61   593.454 15.423  595.805 15.362  -2.350586      21.76858 
1 1 1 -1  9   4  o 598.505 10.966  48302.10  1757.79   48956.19  2486.56   47648.71  2485.21   602.582 15.406  594.429 15.609  8.153748       21.93147 
1 1 1 -1  9   5  o 291.326 5.4340  11385.10  424.017   11422.56  599.889   11347.70  599.411   291.805 7.6752  290.846 7.6944  0.9589844      10.86791 
1 1 1 -1  9   6  o 322.758 6.0167  13984.60  519.865   14534.88  735.882   13436.35  734.520   329.111 8.3479  316.405 8.6670  12.70581       12.03348 
1 1 1 -1  9   7  o 135.765 2.8725  2471.07   104.372   2358.26   147.641   2583.77   147.568   132.664 4.1549  138.865 3.9674  -6.201416      5.744920 
1 1 1 -1  9   8  o 603.680 11.139  49209.13  1801.07   48861.88  2546.98   49556.43  2547.23   601.532 15.808  605.827 15.697  -4.294983      22.27789 
1 1 1 -1  9   9  o 361.415 6.6627  17552.93  644.974   17520.64  912.163   17585.22  912.101   361.081 9.4315  361.748 9.4134  -0.6672363     13.32535 
1 1 1 -1  9   10 o 121.037 2.6228  1963.92   84.980    2044.86   120.331   1883.39   120.029   123.528 3.6368  118.547 3.7801  4.980469       5.245572 
1 1 1 -1  9   11 o 36.954  1.7018  183.817   16.732    172.897   23.583    194.887   23.744    35.838  2.4718  38.069  2.3399  -2.230259      3.403676 
1 1 1 -1  9   12 o 160.861 3.2496  3471.56   140.008   3502.71   197.936   3440.36   198.067   161.585 4.5734  160.138 4.6177  1.447067       6.499152 
1 1 1 -1  9   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  9   14 f 214.669 4.1674  6199.56   239.540   6385.07   338.807   6014.15   338.715   217.895 5.8052  211.444 5.9807  6.450607       8.334796 
1 1 1 -1  9   15 o 64.511  1.9378  557.944   33.481    547.625   47.250    568.351   47.449    63.911  2.7602  65.111  2.7207  -1.199203      3.875667 
1 1 1 -1  9   16 f 169.300 3.3919  3852.33   153.810   3846.49   217.375   3858.20   217.665   169.171 4.7973  169.428 4.7964  -0.2574615     6.783746 
1 1 1 -1  9   17 o 104.871 2.4686  1476.85   69.279    1548.50   97.924    1405.04   98.027    107.425 3.4033  102.317 3.5769  5.107513       4.937242 
1 1 1 -1  9   18 o 176.016 3.5650  4167.84   168.072   4140.60   237.480   4195.18   237.902   175.438 5.0538  176.594 5.0296  -1.156433      7.130030 
1 1 1 -1  9   19 o 47.854  1.9536  308.136   24.934    310.569   35.304    305.715   35.220    48.044  2.7550  47.664  2.7707  0.3794975      3.907208 
1 1 1 -1  9   20 o 112.662 2.6069  1704.71   78.653    1738.73   111.066   1670.49   111.399   113.793 3.6440  111.531 3.7290  2.262451       5.213851 
1 1 1 -1  9   21 o 115.360 2.6846  1789.14   82.880    1872.74   117.133   1705.31   117.289   118.070 3.7038  112.651 3.8872  5.419037       5.369191 
1 1 1 -1  9   22 f 117.381 2.6774  1853.89   84.087    1950.54   118.795   1756.85   119.038   120.462 3.6818  114.300 3.8882  6.161522       5.354799 
1 1 1 -1  9   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  9   24 o 94.193  2.3792  1194.36   60.012    1218.87   84.614    1169.54   85.128    95.172  3.3193  93.214  3.4096  1.958214       4.758469 
1 1 1 -1  9   25 o 53.848  1.9693  391.121   28.300    397.168   39.819    384.950   40.228    54.274  2.7481  53.421  2.8214  0.8532219      3.938572 
1 1 1 -1  9   26 o 22.612  2.1801  70.204    12.824    64.146    17.948    76.523    18.330    21.576  3.2029  23.648  2.9586  -2.071831      4.360249 
1 1 1 -1  9   27 o 88.476  2.3359  1059.79   55.293    1113.11   77.990    1005.90   78.404    90.741  3.2088  86.212  3.3953  4.528732       4.671710 
1 1 1 -1  9   28 o 55.463  2.0159  416.673   29.843    408.010   41.854    425.633   42.563    54.873  2.8575  56.052  2.8443  -1.178574      4.031817 
1 1 1 -1  9   29 o 37.746  1.9669  193.757   19.744    194.132   27.706    193.369   28.143    37.789  2.7563  37.704  2.8068  0.8487320E-01  3.933868 
1 1 1 -1  9   30 o 45.157  1.9692  277.246   23.699    273.331   33.281    281.274   33.755    44.832  2.7853  45.481  2.7843  -0.6492691     3.938302 
1 1 1 -1  9   31 o 15.371  2.6959  33.843    11.225    42.344    15.797    25.174    15.952    17.292  3.5302  13.451  4.0756  3.841078       5.391886 
1 1 1 -1  9   32 o 15.435  2.6754  34.474    11.347    46.828    15.886    21.607    16.212    18.204  3.3825  12.665  4.1460  5.539876       5.350783 
1 1 1 -1  9   33 o 14.490  2.8726  30.179    11.683    25.575    16.600    34.698    16.446    13.488  4.1710  15.492  3.9510  -2.004407      5.745205 
1 1 1 -1  9   34 o 16.825  2.8579  41.359    12.718    40.839    17.854    41.894    18.120    16.719  4.0334  16.932  4.0499  -0.2124996     5.715766 
1 1 1 -1  9   35 o 23.296  2.4815  77.532    14.999    76.306    20.884    78.838    21.554    23.114  3.4813  23.479  3.5372  -0.3645859     4.962965 
1 1 1 -1  9   36 o 12.259  2.8591  18.937    11.811    5.9261    16.355    33.115    17.073    9.6128  3.9523  14.905  4.1326  -5.292588      5.718254 
1 1 1 -1  9   37 o 13.274  3.0028  25.780    12.069    26.460    17.052    25.098    17.083    13.415  4.2397  13.134  4.2535  0.2816944      6.005578 
1 1 1 -1  9   38 o 21.825  6.7123  82.766    43.058    82.766    43.058    0.0000    0.0000    21.825  6.7123  ?       ?       ?              ?        
1 1 1 -1  9   39 o 20.718  2.8534  64.950    15.259    59.936    21.357    70.178    21.810    19.811  4.1573  21.624  3.9095  -1.812777      5.706783 
1 1 1 -1  9   40 o 11.301  2.9516  15.276    12.530    3.9459    17.614    26.885    17.830    9.3689  3.9919  13.234  4.3487  -3.865145      5.903105 
1 1 1 -1  10  1  f 179.589 3.5535  4322.50   170.931   4333.47   241.572   4311.50   241.893   179.817 5.0156  179.360 5.0351  0.4568634      7.106965 
1 1 1 -1  10  2  f 550.467 10.168  40819.07  1499.12   40532.70  2119.80   41105.60  2120.35   548.525 14.428  552.410 14.330  -3.884705      20.33548 
1 1 1 -1  10  3  o 491.022 9.0550  32439.16  1190.90   32321.79  1684.16   32556.54  1684.21   490.129 12.829  491.914 12.783  -1.784790      18.10995 
1 1 1 -1  10  4  o 245.677 4.7356  8093.74   311.618   8139.30   440.940   8048.29   440.450   246.368 6.6820  244.986 6.7122  1.382660       9.471159 
1 1 1 -1  10  5  o 257.306 4.9613  8880.88   341.871   8691.53   483.589   9070.07   483.370   254.560 7.0925  260.053 6.9395  -5.492630      9.922687 
1 1 1 -1  10  6  o 191.972 3.7568  4940.07   193.171   4932.41   273.415   4947.69   272.955   191.823 5.3215  192.121 5.3043  -0.2974701     7.513578 
1 1 1 -1  10  7  o 311.250 5.7401  13008.30  478.369   12597.94  676.325   13419.13  676.707   306.326 8.2430  316.175 7.9907  -9.849731      11.48030 
1 1 1 -1  10  8  o 138.034 2.8714  2553.96   106.136   2491.45   150.176   2616.35   150.023   136.344 4.1122  139.723 4.0087  -3.378418      5.742796 
1 1 1 -1  10  9  o 278.646 5.3169  10430.71  396.813   10522.46  561.411   10339.11  560.947   279.874 7.4891  277.418 7.5492  2.455933       10.63375 
1 1 1 -1  10  10 o 186.137 3.6975  4648.99   184.346   4664.30   260.814   4633.71   260.594   186.443 5.2227  185.830 5.2355  0.6132813      7.395082 
1 1 1 -1  10  11 o 218.951 4.2429  6441.09   248.824   6474.42   351.937   6407.78   351.844   219.519 5.9856  218.382 6.0151  1.136200       8.485777 
1 1 1 -1  10  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  10  13 o 121.565 2.6498  1982.98   86.265    2026.11   121.968   1939.81   122.027   122.890 3.7055  120.240 3.7890  2.650444       5.299675 
1 1 1 -1  10  14 o 104.175 2.4283  1456.34   67.728    1506.24   95.765    1406.40   95.799    105.965 3.3741  102.386 3.4933  3.578362       4.856695 
1 1 1 -1  10  15 o 90.416  2.2342  1096.55   54.107    1095.80   76.419    1097.31   76.620    90.385  3.1566  90.447  3.1627  -0.6218719E-01 4.468413 
1 1 1 -1  10  16 o 172.882 3.5012  4019.64   162.111   4084.17   229.142   3954.97   229.376   174.278 4.9088  171.487 4.9938  2.790802       7.002420 
1 1 1 -1  10  17 o 31.316  1.9186  132.809   15.888    141.645   22.270    123.648   22.674    32.399  2.5878  30.232  2.8331  2.167528       3.837112 
1 1 1 -1  10  18 o 73.614  2.0749  726.872   40.911    725.666   57.665    728.094   58.050    73.553  2.9270  73.675  2.9417  -0.1223526     4.149803 
1 1 1 -1  10  19 o 124.419 2.7251  2079.41   90.809    2104.75   128.272   2053.94   128.577   125.182 3.8256  123.657 3.8820  1.525291       5.450252 
1 1 1 -1  10  20 o 215.202 4.2287  6252.41   243.747   6206.02   344.389   6298.97   345.033   214.398 5.9971  216.007 5.9635  -1.609344      8.457457 
1 1 1 -1  10  21 o 159.837 3.3508  3444.13   143.349   3592.82   202.630   3295.15   202.821   163.314 4.6323  156.360 4.8428  6.953842       6.701555 
1 1 1 -1  10  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  10  23 o 83.577  2.2285  939.597   49.881    950.626   70.313    928.424   70.773    84.074  3.1224  83.080  3.1804  0.9941254      4.456948 
1 1 1 -1  10  24 o 42.285  1.9413  242.159   21.788    262.785   30.629    221.030   31.000    44.138  2.6023  40.432  2.8814  3.706581       3.882618 
1 1 1 -1  10  25 o 56.787  1.9821  434.308   30.147    436.545   42.483    432.038   42.788    56.937  2.7857  56.638  2.8205  0.2986221      3.964261 
1 1 1 -1  10  26 o 43.608  1.9393  257.323   22.525    246.823   31.601    268.169   32.117    42.694  2.7785  44.521  2.7061  -1.827499      3.878503 
1 1 1 -1  10  27 o 78.514  2.2032  834.290   46.332    828.781   65.235    839.898   65.816    78.253  3.1124  78.774  3.1193  -0.5212479     4.406464 
1 1 1 -1  10  28 o 85.697  2.3261  998.060   53.329    1049.00   75.199    946.523   75.639    87.933  3.1928  83.462  3.3835  4.471321       4.652133 
1 1 1 -1  10  29 o 64.529  2.0986  564.771   36.269    556.613   50.934    573.163   51.658    64.056  2.9686  65.002  2.9670  -0.9458008     4.197142 
1 1 1 -1  10  30 o 30.123  2.0904  124.652   16.620    130.427   23.300    118.669   23.716    30.866  2.8505  29.380  3.0584  1.485535       4.180815 
1 1 1 -1  10  31 o 21.209  2.4348  63.162    13.355    62.424    18.670    63.934    19.111    21.085  3.4232  21.333  3.4633  -0.2480431     4.869549 
1 1 1 -1  10  32 o 29.613  2.1971  121.482   17.022    103.608   23.621    140.792   24.550    27.261  3.3023  31.965  2.8990  -4.703693      4.394266 
1 1 1 -1  10  33 o 32.443  2.1994  146.838   18.780    160.265   26.349    132.975   26.774    34.038  2.9183  30.847  3.2913  3.190836       4.398728 
1 1 1 -1  10  34 o 43.569  2.1161  263.611   24.535    253.601   34.276    274.127   35.134    42.706  3.0159  44.433  2.9692  -1.726707      4.232262 
1 1 1 -1  10  35 o 13.928  2.7858  26.028    12.037    8.9081    16.296    46.584    17.857    10.082  4.0165  17.775  3.8613  -7.693073      5.571509 
1 1 1 -1  10  36 o 17.267  2.9085  44.839    13.425    34.307    18.785    55.835    19.194    15.086  4.3862  19.448  3.8209  -4.362071      5.817077 
1 1 1 -1  10  37 o 41.396  2.2253  242.844   24.484    244.293   34.372    241.351   34.886    41.547  3.1113  41.244  3.1825  0.3029060      4.450649 
1 1 1 -1  10  38 o 11.644  2.8857  14.929    12.750    32.451    17.737    -3.8020   18.339    14.573  4.2695  8.7152  3.8833  5.857409       5.771317 
1 1 1 -1  10  39 o 5.9467  2.0249  -19.4894  9.5770    -12.6258  13.790    -25.8838  13.310    6.5293  3.0717  5.3641  2.6392  1.165225       4.049808 
1 1 1 -1  11  1  o 125.084 2.6974  2096.24   90.370    2080.28   127.615   2112.29   127.992   124.606 3.8236  125.562 3.8057  -0.9551773     5.394765 
1 1 1 -1  11  2  f 178.204 3.5559  4256.13   169.731   4256.07   239.997   4256.19   240.074   178.202 5.0281  178.205 5.0296  -0.2456665E-02 7.111897 
1 1 1 -1  11  3  f 270.823 5.2068  9841.13   377.560   10154.01  534.281   9529.02   533.620   275.131 7.2501  266.516 7.4752  8.615356       10.41352 
1 1 1 -1  11  4  o 114.091 2.5402  1744.06   77.614    1780.60   109.960   1707.77   109.568   115.283 3.5611  112.899 3.6233  2.383240       5.080312 
1 1 1 -1  11  5  o 214.116 4.1305  6148.05   236.854   6035.24   335.101   6260.66   334.822   212.150 5.8972  216.081 5.7851  -3.930771      8.260960 
1 1 1 -1  11  6  o 253.221 4.8024  8604.11   325.715   8690.95   460.950   8517.52   460.310   254.500 6.7620  251.943 6.8212  2.556427       9.604875 
1 1 1 -1  11  7  o 71.046  1.9867  676.358   37.801    666.330   53.614    686.271   53.306    70.522  2.8383  71.570  2.7807  -1.048088      3.973464 
1 1 1 -1  11  8  o 185.980 3.6479  4640.23   181.714   4675.10   257.170   4605.45   256.796   186.679 5.1432  185.281 5.1745  1.397812       7.295771 
1 1 1 -1  11  9  o 64.449  1.8918  556.598   32.657    558.248   46.356    554.971   46.016    64.544  2.6814  64.355  2.6695  0.1895447      3.783673 
1 1 1 -1  11  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  11  11 o 167.431 3.3940  3765.08   152.181   3680.52   215.233   3849.62   215.199   165.546 4.8540  169.317 4.7452  -3.770767      6.788085 
1 1 1 -1  11  12 o 137.434 2.8833  2535.31   106.135   2555.10   150.163   2515.56   150.033   137.971 4.0633  136.898 4.0917  1.073669       5.766520 
1 1 1 -1  11  13 o 103.893 2.4197  1448.14   67.330    1469.38   95.240    1426.91   95.199    104.656 3.3975  103.130 3.4463  1.526222       4.839481 
1 1 1 -1  11  14 o 58.272  1.8780  455.369   29.302    469.509   41.468    441.267   41.412    59.177  2.6162  57.368  2.6951  1.809307       3.756032 
1 1 1 -1  11  15 o 153.877 3.2030  3182.42   132.000   3236.65   186.613   3128.11   186.741   155.194 4.4893  152.561 4.5699  2.633682       6.406062 
1 1 1 -1  11  16 f 163.053 3.3356  3574.70   145.663   3511.30   205.779   3638.37   206.218   161.598 4.7542  164.507 4.6801  -2.908371      6.671220 
1 1 1 -1  11  17 o 144.916 3.0461  2822.09   118.237   2812.65   167.055   2831.56   167.368   144.673 4.3111  145.159 4.3047  -0.4860840     6.092257 
1 1 1 -1  11  18 o 43.061  1.9021  250.001   21.762    273.310   30.908    227.087   30.646    45.072  2.5709  41.051  2.8039  4.021557       3.804118 
1 1 1 -1  11  19 o 75.593  2.1112  766.770   42.734    742.062   60.104    792.029   60.771    74.360  3.0177  76.826  2.9533  -2.466103      4.222353 
1 1 1 -1  11  20 o 194.754 3.9252  5123.29   204.745   5172.02   289.329   5074.41   289.778   195.691 5.5199  193.817 5.5819  1.873672       7.850318 
1 1 1 -1  11  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  11  22 o 73.784  2.1583  732.300   42.640    750.859   60.107    713.498   60.498    74.730  3.0029  72.838  3.1010  1.892403       4.316636 
1 1 1 -1  11  23 o 46.531  1.9156  292.154   23.767    285.188   33.582    299.143   33.640    45.970  2.7398  47.093  2.6780  -1.122982      3.831235 
1 1 1 -1  11  24 f 100.053 2.4362  1351.93   65.288    1344.20   91.986    1359.78   92.680    99.766  3.4423  100.341 3.4484  -0.5746994     4.872486 
1 1 1 -1  11  25 o 70.211  2.0862  665.768   39.202    692.489   55.249    638.674   55.634    71.644  2.8791  68.778  3.0199  2.865326       4.172441 
1 1 1 -1  11  26 o 75.152  2.1556  763.919   43.389    756.759   61.032    771.236   61.697    74.797  3.0464  75.508  3.0506  -0.7110214     4.311231 
1 1 1 -1  11  27 o 42.637  1.9723  246.597   22.362    227.570   31.107    266.944   32.168    40.916  2.8564  44.359  2.7206  -3.442795      3.944683 
1 1 1 -1  11  28 o 37.255  1.9763  189.119   19.497    168.729   27.285    210.393   27.870    35.162  2.9236  39.348  2.6600  -4.186321      3.952614 
1 1 1 -1  11  29 o 21.909  2.4075  67.191    13.602    74.854    19.252    59.554    19.220    23.241  3.1758  20.578  3.6192  2.663248       4.815020 
1 1 1 -1  11  30 o 46.830  2.0038  299.368   25.009    293.995   34.876    305.055   35.881    46.401  2.8195  47.259  2.8479  -0.8584709     4.007515 
1 1 1 -1  11  31 o 49.407  2.0647  334.889   27.193    338.172   38.115    331.486   38.809    49.672  2.8771  49.143  2.9622  0.5288391      4.129438 
1 1 1 -1  11  32 f 44.241  2.0805  269.871   24.496    256.909   34.366    283.259   34.927    43.134  2.9930  45.347  2.8906  -2.212311      4.160986 
1 1 1 -1  11  33 o 32.845  2.1473  150.365   18.676    149.040   26.220    151.730   26.608    32.701  3.0279  32.989  3.0456  -0.2884407     4.294665 
1 1 1 -1  11  34 o 20.679  2.6956  62.675    14.295    49.616    19.988    76.347    20.452    18.257  4.1778  23.102  3.4076  -4.844645      5.391249 
1 1 1 -1  11  35 o 12.728  2.6543  20.143    11.553    -0.7481   16.176    41.899    16.507    8.6238  3.7510  16.832  3.7566  -8.208513      5.308657 
1 1 1 -1  11  36 o 15.622  2.9852  36.749    13.036    27.529    18.206    46.447    18.673    13.664  4.3875  17.579  4.0492  -3.914829      5.970405 
1 1 1 -1  11  37 o 7.2281  2.3709  -11.3374  10.957    -13.4587  15.098    -8.9770   15.927    6.8942  3.2340  7.5620  3.4678  -0.6677928     4.741741 
1 1 1 -1  11  38 o 10.800  2.8519  10.112    12.298    -5.1439   16.853    27.492    17.988    8.1541  3.6709  13.446  4.3655  -5.292433      5.703794 
1 1 1 -1  12  1  o 53.017  1.8208  376.572   25.852    381.850   36.416    371.208   36.708    53.391  2.5464  52.642  2.6034  0.7494926      3.641670 
1 1 1 -1  12  2  o 335.257 6.2750  15094.14  563.461   14930.67  796.623   15257.80  797.085   333.435 8.9197  337.078 8.8285  -3.642426      12.55005 
1 1 1 -1  12  3  o 225.753 4.3154  6835.04   260.943   6829.21   369.074   6840.87   368.985   225.656 6.1063  225.849 6.0996  -0.1928406     8.630857 
1 1 1 -1  12  4  o 319.127 6.0679  13687.91  518.356   13129.71  732.728   14247.15  733.405   312.591 8.7514  325.663 8.4079  -13.07190      12.13589 
1 1 1 -1  12  5  o 277.084 5.2764  10312.72  391.537   10526.98  554.116   10099.08  553.318   279.966 7.3893  274.202 7.5338  5.764404       10.55277 
1 1 1 -1  12  6  o 252.267 4.8358  8548.80   326.716   8401.50   462.187   8695.92   461.906   250.088 6.8998  254.446 6.7775  -4.357758      9.671694 
1 1 1 -1  12  7  o 279.701 5.3077  10523.70  397.608   10674.53  562.697   10373.29  561.910   281.710 7.4573  277.691 7.5547  4.019226       10.61531 
1 1 1 -1  12  8  f 151.196 4.5177  3086.12   182.077   3393.94   255.552   2768.76   259.485   158.919 6.0036  143.473 6.7523  15.44647       9.035353 
1 1 1 -1  12  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  12  10 o 397.517 7.4414  21465.26  792.273   21206.41  1120.37   21724.17  1120.51   395.086 10.587  399.948 10.460  -4.862030      14.88277 
1 1 1 -1  12  11 o 231.187 4.4513  7198.27   275.629   7260.05   389.983   7136.62   389.613   232.183 6.2708  230.191 6.3191  1.992020       8.902511 
1 1 1 -1  12  12 o 106.048 2.4555  1509.26   69.725    1464.94   98.629    1553.54   98.583    104.488 3.5241  107.607 3.4204  -3.119453      4.911032 
1 1 1 -1  12  13 o 18.261  2.1238  46.086    9.9678    52.641    14.133    39.598    14.060    19.621  2.7660  16.901  3.2236  2.720510       4.247615 
1 1 1 -1  12  14 o 54.189  1.8670  394.322   27.042    381.561   38.233    407.095   38.252    53.276  2.6879  55.102  2.5918  -1.826012      3.733962 
1 1 1 -1  12  15 o 201.617 4.0164  5475.44   216.877   5384.46   306.500   5566.66   306.921   199.931 5.7235  203.304 5.6363  -3.372299      8.032798 
1 1 1 -1  12  16 o 192.048 3.8527  4966.84   198.182   4991.31   280.208   4942.35   280.336   192.524 5.4338  191.572 5.4633  0.9524231      7.705475 
1 1 1 -1  12  17 o 97.455  2.3751  1274.87   61.995    1262.52   87.547    1287.29   87.803    96.981  3.3703  97.929  3.3474  -0.9481125     4.750167 
1 1 1 -1  12  18 o 169.116 3.4297  3851.58   155.356   3832.25   219.501   3870.99   219.912   168.689 4.8580  169.543 4.8426  -0.8534088     6.859410 
1 1 1 -1  12  19 o 80.897  2.1790  878.838   47.214    876.679   66.650    881.012   66.893    80.797  3.0797  80.997  3.0834  -0.1991730     4.357980 
1 1 1 -1  12  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  12  21 o 60.513  2.0254  493.098   32.695    452.086   45.910    535.301   46.572    57.911  2.9698  63.115  2.7549  -5.203911      4.050783 
1 1 1 -1  12  22 o 38.519  1.9048  200.675   19.502    211.369   27.528    189.898   27.633    39.566  2.6123  37.473  2.7728  2.092857       3.809531 
1 1 1 -1  12  23 o 40.624  1.9386  223.164   20.968    219.127   29.416    227.333   29.896    40.249  2.7450  41.000  2.7381  -0.7509956     3.877155 
1 1 1 -1  12  24 o 22.621  2.1186  70.255    12.521    70.946    17.774    69.574    17.640    22.734  2.9916  22.508  3.0007  0.2260475      4.237223 
1 1 1 -1  12  25 f 15.536  2.4936  33.603    10.584    17.259    14.483    52.334    15.504    11.635  3.9220  19.437  3.0807  -7.802850      4.987270 
1 1 1 -1  12  26 o 29.653  2.0633  120.105   16.173    117.329   22.757    122.938   22.988    29.299  2.9395  30.006  2.8963  -0.7072906     4.126583 
1 1 1 -1  12  27 o 59.896  2.0668  486.241   33.154    479.799   46.511    492.896   47.273    59.494  2.9187  60.299  2.9270  -0.8045158     4.133550 
1 1 1 -1  12  28 o 43.981  2.0053  263.513   23.495    258.979   32.930    268.214   33.531    43.595  2.8356  44.368  2.8363  -0.7735519     4.010670 
1 1 1 -1  12  29 o 21.803  2.4303  66.623    13.721    66.835    19.279    66.405    19.533    21.848  3.4055  21.759  3.4680  0.8914375E-01  4.860540 
1 1 1 -1  12  30 o 26.966  2.3167  102.190   16.079    121.736   22.716    82.563    22.763    29.721  2.8901  24.210  3.6216  5.510775       4.633395 
1 1 1 -1  12  31 o 23.499  2.5861  79.694    15.202    54.076    21.201    106.801   21.808    19.261  4.2257  27.737  2.9824  -8.475290      5.172108 
1 1 1 -1  12  32 o 24.766  2.5860  90.124    15.866    119.226   22.307    60.327    22.572    29.286  2.8810  20.246  4.2954  9.039644       5.172072 
1 1 1 -1  12  33 o 37.788  2.1436  199.527   21.499    189.838   30.027    209.718   30.796    36.821  3.0727  38.755  2.9898  -1.934769      4.287233 
1 1 1 -1  12  34 o 38.629  2.1945  210.166   22.493    217.789   31.626    202.363   31.996    39.391  3.0205  37.867  3.1842  1.524181       4.388931 
1 1 1 -1  12  35 f 9.4484  2.6712  5.1328    10.782    -4.3588   14.939    15.453    15.578    7.8311  3.4960  11.066  4.0398  -3.234705      5.342441 
1 1 1 -1  12  36 o 9.5263  2.7526  3.2548    12.033    -10.4870  17.407    15.830    16.652    7.8230  3.6014  11.230  4.1637  -3.406627      5.505117 
1 1 1 -1  12  37 o 11.750  3.0221  18.475    12.394    22.493    17.713    14.621    17.348    12.483  4.3336  11.016  4.2132  1.466615       6.044140 
1 1 1 -1  12  38 o 12.114  3.0811  19.419    13.436    7.7929    18.573    32.184    19.461    10.019  4.1738  14.209  4.5334  -4.189485      6.162134 
1 1 1 -1  13  1  o 237.723 4.5761  7582.29   291.355   7688.68   411.862   7475.73   412.215   239.395 6.4231  236.051 6.5197  3.344727       9.152247 
1 1 1 -1  13  2  f 158.780 3.2513  3380.10   138.262   3434.19   195.431   3325.91   195.633   160.053 4.5587  157.507 4.6372  2.546204       6.502698 
1 1 1 -1  13  3  o 240.721 4.6668  7780.03   300.869   7652.98   425.379   7907.22   425.608   238.750 6.6519  242.693 6.5473  -3.942764      9.333539 
1 1 1 -1  13  4  o 123.057 2.6681  2029.96   87.941    2039.77   124.427   2020.18   124.308   123.354 3.7659  122.760 3.7805  0.5942459      5.336160 
1 1 1 -1  13  5  o 133.014 2.8668  2373.17   102.083   2468.16   144.646   2278.91   144.090   135.669 3.9805  130.358 4.1267  5.311096       5.733617 
1 1 1 -1  13  6  o 121.519 3.8045  1986.14   123.640   2069.58   172.730   1898.47   177.055   124.152 5.1943  118.886 5.5602  5.265373       7.608944 
1 1 1 -1  13  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  13  8  o 62.977  1.9576  531.627   33.009    551.640   46.940    512.049   46.428    64.150  2.7319  61.803  2.8046  2.346409       3.915221 
1 1 1 -1  13  9  o 321.259 6.0533  13962.26  520.879   14006.25  736.862   13918.33  736.407   321.769 8.5497  320.749 8.5716  1.019714       12.10664 
1 1 1 -1  13  10 f 187.199 3.7280  4712.81   186.919   4668.70   264.495   4756.82   264.193   186.320 5.2999  188.078 5.2444  -1.758286      7.456067 
1 1 1 -1  13  11 o 58.727  1.8909  462.390   29.742    463.988   42.283    460.826   41.844    58.827  2.6835  58.626  2.6647  0.2003136      3.781776 
1 1 1 -1  13  12 o 58.368  1.8874  457.232   29.469    431.645   41.741    482.657   41.610    56.736  2.7467  59.999  2.5892  -3.263157      3.774722 
1 1 1 -1  13  13 o 90.005  2.2800  1087.08   54.937    1131.54   77.911    1043.12   77.476    91.839  3.1673  88.172  3.2805  3.666527       4.560007 
1 1 1 -1  13  14 o 64.102  2.0031  551.099   34.392    547.701   48.576    554.514   48.700    63.904  2.8380  64.301  2.8276  -0.3965530     4.006183 
1 1 1 -1  13  15 o 93.215  2.3126  1166.12   57.734    1146.65   81.608    1185.64   81.690    92.435  3.2961  93.996  3.2447  -1.561470      4.625198 
1 1 1 -1  13  16 o 75.944  2.1116  773.883   42.953    774.749   60.766    773.019   60.722    75.987  2.9856  75.902  2.9868  0.8493805E-01  4.223126 
1 1 1 -1  13  17 o 170.256 3.5049  3905.77   159.831   3911.74   225.952   3899.79   226.118   170.387 4.9510  170.125 4.9623  0.2627563      7.009719 
1 1 1 -1  13  18 o 67.770  2.0269  616.704   36.781    635.319   52.094    598.201   51.939    68.792  2.8272  66.748  2.9051  2.044342       4.053781 
1 1 1 -1  13  19 o 87.065  3.2054  1017.64   74.342    1133.70   110.218   920.772   100.697   91.660  4.4893  82.470  4.5766  9.190941       6.410887 
1 1 1 -1  13  20 o 114.645 2.6530  1771.81   81.466    1764.48   114.985   1779.18   115.435   114.407 3.7523  114.883 3.7514  -0.4756775     5.305934 
1 1 1 -1  13  21 o 91.130  2.3335  1119.26   56.953    1096.23   80.246    1142.64   80.844    90.181  3.3221  92.078  3.2780  -1.897079      4.667080 
1 1 1 -1  13  22 o 48.195  1.9431  314.077   24.948    330.949   35.240    297.125   35.324    49.510  2.6673  46.880  2.8264  2.629921       3.886235 
1 1 1 -1  13  23 o 72.612  2.1440  712.038   41.698    710.287   58.784    713.812   59.158    72.523  3.0262  72.700  3.0380  -0.1773529     4.287991 
1 1 1 -1  13  24 o 53.624  1.9775  389.210   28.325    402.510   39.828    375.598   40.291    54.602  2.7233  52.646  2.8681  1.955837       3.955000 
1 1 1 -1  13  25 o 46.738  1.9842  296.521   24.721    301.949   34.863    291.033   35.059    47.178  2.7711  46.299  2.8408  0.8787117      3.968482 
1 1 1 -1  13  26 o 79.057  2.2572  849.300   47.792    860.366   67.457    838.148   67.721    79.584  3.1645  78.530  3.2195  1.053726       4.514391 
1 1 1 -1  13  27 f 11.194  2.7157  15.719    9.8914    18.623    13.911    12.749    14.067    11.818  3.8392  10.569  3.8419  1.248901       5.431329 
1 1 1 -1  13  28 o 30.678  2.1401  129.491   17.342    135.920   24.689    123.230   24.364    31.452  2.9656  29.903  3.0863  1.549225       4.280171 
1 1 1 -1  13  29 o 29.139  2.1930  117.703   16.819    121.733   23.399    113.394   24.193    29.696  2.9821  28.581  3.2161  1.115303       4.385907 
1 1 1 -1  13  30 o 8.9947  2.5512  2.3103    10.248    14.023    14.253    -10.2218  14.744    10.769  3.8740  7.2206  3.3205  3.548189       5.102346 
1 1 1 -1  13  31 o 36.716  2.1020  187.378   20.461    193.126   28.468    181.236   29.427    37.347  2.8677  36.085  3.0740  1.262409       4.203926 
1 1 1 -1  13  32 o 29.117  2.3409  120.051   17.826    106.215   24.982    134.404   25.444    27.300  3.4969  30.935  3.1131  -3.635117      4.681840 
1 1 1 -1  13  33 o 17.593  2.8604  46.735    13.753    67.657    19.534    26.169    19.367    21.651  3.4869  13.535  4.5354  8.116707       5.720853 
1 1 1 -1  13  34 o 13.612  2.8246  26.073    12.097    9.8396    17.053    42.519    17.164    10.327  4.1105  16.896  3.8752  -6.568595      5.649199 
1 1 1 -1  13  35 o 9.4520  2.7352  5.3946    11.194    -0.3310   15.441    11.737    16.252    8.4485  3.6698  10.455  4.0570  -2.007016      5.470499 
1 1 1 -1  13  36 o 11.319  2.9932  16.276    12.210    15.562    16.844    17.067    17.725    11.131  4.1756  11.507  4.2899  -0.3758621     5.986501 
1 1 1 -1  13  37 o 23.452  2.8370  84.653    17.001    102.707   24.426    67.690    23.678    26.236  3.5685  20.668  4.4115  5.568617       5.674061 
1 1 1 -1  14  1  o 333.384 6.2654  14962.57  559.434   15171.36  791.005   14753.61  791.314   335.724 8.7965  331.045 8.9243  4.678894       12.53079 
1 1 1 -1  14  2  o 247.428 4.7399  8226.90   314.111   8129.07   443.944   8324.96   444.496   245.951 6.7389  248.906 6.6672  -2.954773      9.479700 
1 1 1 -1  14  3  o 171.147 3.4512  3931.20   158.191   3859.73   223.575   4002.84   223.858   169.586 4.9220  172.707 4.8392  -3.121429      6.902463 
1 1 1 -1  14  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  14  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  14  6  o 164.199 3.3226  3621.11   146.100   3716.13   207.009   3526.81   206.226   166.350 4.6460  162.047 4.7513  4.303040       6.645285 
1 1 1 -1  14  7  o 162.538 3.3299  3548.91   144.962   3598.31   205.372   3499.86   204.643   163.667 4.6848  161.408 4.7335  2.259506       6.659824 
1 1 1 -1  14  8  o 108.104 2.5118  1568.21   72.721    1546.18   103.082   1590.04   102.606   107.346 3.5851  108.862 3.5189  -1.515717      5.023516 
1 1 1 -1  14  9  o 83.553  2.1778  936.359   48.737    933.183   69.130    939.497   68.723    83.412  3.0942  83.695  3.0656  -0.2828674     4.355673 
1 1 1 -1  14  10 o 124.475 2.6994  2080.16   89.993    2055.57   127.423   2104.62   127.117   123.739 3.8446  125.211 3.7903  -1.472000      5.398833 
1 1 1 -1  14  11 o 83.873  2.1531  943.669   48.348    980.538   68.660    907.406   68.093    85.500  2.9981  82.246  3.0910  3.254250       4.306150 
1 1 1 -1  14  12 o 140.322 3.0173  2645.50   113.404   2644.42   160.608   2646.57   160.148   140.293 4.2741  140.352 4.2601  -0.5847168E-01 6.034549 
1 1 1 -1  14  13 o 78.119  2.1418  818.761   44.785    857.453   63.625    780.765   63.050    79.951  2.9711  76.287  3.0856  3.663849       4.283522 
1 1 1 -1  14  14 o 169.777 3.4720  3879.16   157.868   3810.78   223.278   3947.52   223.239   168.274 4.9538  171.281 4.8660  -3.007172      6.943944 
1 1 1 -1  14  15 o 111.542 2.5394  1671.25   75.853    1711.13   107.365   1631.50   107.179   112.875 3.5512  110.210 3.6308  2.664764       5.078755 
1 1 1 -1  14  16 f 170.451 3.4293  3916.05   156.515   3800.83   221.198   4031.57   221.493   167.925 4.9179  172.977 4.7806  -5.052567      6.858546 
1 1 1 -1  14  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  14  18 o 128.372 2.8293  2221.37   97.266    2267.17   137.532   2175.53   137.577   129.705 3.9587  127.039 4.0431  2.665634       5.658504 
1 1 1 -1  14  19 o 75.801  2.1594  773.053   43.843    773.427   61.986    772.679   62.021    75.819  3.0523  75.782  3.0555  0.3705597E-01  4.318864 
1 1 1 -1  14  20 f 102.085 2.4617  1406.15   67.310    1399.61   95.071    1412.72   95.311    101.846 3.4851  102.324 3.4776  -0.4774246     4.923361 
1 1 1 -1  14  21 o 49.371  1.9473  329.368   25.647    330.747   36.138    327.968   36.404    49.478  2.7375  49.264  2.7701  0.2142410      3.894583 
1 1 1 -1  14  22 o 33.493  1.9472  152.290   17.312    151.393   24.290    153.215   24.681    33.394  2.7398  33.591  2.7678  -0.1967964     3.894486 
1 1 1 -1  14  23 o 35.541  1.9493  171.590   18.411    169.824   25.985    173.370   26.090    35.355  2.7661  35.727  2.7474  -0.3728065     3.898664 
1 1 1 -1  14  24 o 53.453  2.0145  387.539   28.718    416.854   40.729    358.555   40.498    55.529  2.7384  51.378  2.9553  4.150726       4.028977 
1 1 1 -1  14  25 o 44.065  2.0251  264.830   23.672    291.781   33.498    237.944   33.458    46.355  2.7097  41.775  3.0103  4.580284       4.050284 
1 1 1 -1  14  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  14  27 o 40.992  2.0431  230.157   22.248    244.153   31.369    215.991   31.559    42.284  2.7853  39.700  2.9898  2.583424       4.086177 
1 1 1 -1  14  28 o 47.155  2.0971  305.478   26.256    274.403   36.846    337.533   37.423    44.655  3.0998  49.655  2.8254  -5.000240      4.194281 
1 1 1 -1  14  29 o 11.019  2.8506  13.776    11.164    18.960    15.752    8.5447    15.824    11.992  4.0900  10.047  3.9719  1.945043       5.701248 
1 1 1 -1  14  30 o 47.254  2.1424  310.150   26.916    327.036   37.722    292.634   38.419    48.634  2.9091  45.874  3.1458  2.760273       4.284723 
1 1 1 -1  14  31 o 28.912  2.3062  118.134   17.513    125.492   24.779    110.791   24.755    29.874  3.1440  27.951  3.3748  1.922899       4.612372 
1 1 1 -1  14  32 o 8.8830  2.5267  -0.5720   10.495    16.408    15.097    -16.4517  14.600    11.239  3.9929  6.5269  3.0973  4.712351       5.053361 
1 1 1 -1  14  33 o 10.448  2.6446  8.5824    11.249    -11.6438  16.394    26.579    15.464    7.4741  3.4600  13.423  4.0006  -5.948759      5.289219 
1 1 1 -1  14  34 o 19.978  2.8457  59.662    14.698    49.538    20.338    70.730    21.266    18.041  4.2744  21.916  3.7579  -3.875769      5.691447 
1 1 1 -1  14  35 o 14.407  3.1686  31.896    13.569    34.591    18.913    29.038    19.478    14.956  4.4163  13.857  4.5449  1.099674       6.337193 
1 1 1 -1  14  36 o 19.682  2.9925  61.381    15.432    44.889    21.822    77.882    21.827    16.633  4.6936  22.730  3.7134  -6.097031      5.984913 
1 1 1 -1  15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  15  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  15  3  o 134.658 2.8210  2433.41   101.719   2363.48   143.671   2503.70   144.035   132.714 4.0417  136.602 3.9366  -3.886978      5.641995 
1 1 1 -1  15  4  o 112.097 2.5709  1686.06   77.165    1738.63   109.260   1633.74   108.996   113.843 3.5832  110.350 3.6876  3.493011       5.141758 
1 1 1 -1  15  5  o 119.459 2.6491  1915.06   84.748    1962.21   120.053   1868.22   119.652   120.927 3.7065  117.990 3.7860  2.936676       5.298290 
1 1 1 -1  15  6  o 121.353 2.6894  1976.61   87.411    1957.46   123.820   1995.64   123.417   120.765 3.8279  121.940 3.7787  -1.175316      5.378760 
1 1 1 -1  15  7  o 36.677  1.8181  181.281   17.715    195.264   25.250    167.728   24.859    38.084  2.4890  35.271  2.6507  2.813656       3.636149 
1 1 1 -1  15  8  o 169.049 3.4597  3842.32   156.653   3865.40   221.894   3819.38   221.188   169.556 4.8859  168.542 4.8996  1.014328       6.919425 
1 1 1 -1  15  9  o 102.228 2.4438  1402.42   66.914    1408.68   94.905    1396.22   94.358    102.455 3.4583  102.001 3.4537  0.4537201      4.887545 
1 1 1 -1  15  10 o 125.757 2.7836  2123.71   93.761    2136.75   132.859   2110.76   132.339   126.142 3.9323  125.372 3.9409  0.7700272      5.567188 
1 1 1 -1  15  11 o 201.690 4.0245  5480.00   217.391   5577.99   307.807   5382.47   307.070   203.499 5.6471  199.882 5.7355  3.616409       8.049006 
1 1 1 -1  15  12 f 97.261  2.3755  1269.91   61.870    1242.23   87.682    1297.36   87.314    96.203  3.4028  98.320  3.3155  -2.117073      4.750972 
1 1 1 -1  15  13 o 132.561 2.8541  2361.51   101.338   2358.57   143.488   2364.43   143.141   132.478 4.0437  132.644 4.0289  -0.1660461     5.708239 
1 1 1 -1  15  14 o 107.387 2.5089  1549.14   72.165    1555.58   102.243   1542.74   101.871   107.610 3.5473  107.165 3.5490  0.4452057      5.017821 
1 1 1 -1  15  15 o 190.318 3.7837  4891.71   192.860   4968.83   272.903   4814.77   272.589   191.828 5.3114  188.808 5.3901  3.020401       7.567305 
1 1 1 -1  15  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  15  17 o 103.025 2.4754  1429.17   68.293    1466.12   96.706    1392.42   96.457    104.360 3.4596  101.690 3.5413  2.669479       4.950746 
1 1 1 -1  15  18 o 37.553  1.9419  190.730   19.384    183.833   27.501    197.540   27.326    36.866  2.8061  38.239  2.6850  -1.372845      3.883724 
1 1 1 -1  15  19 o 48.251  1.9369  314.338   24.928    317.303   35.334    311.400   35.174    48.479  2.7323  48.023  2.7460  0.4563408      3.873710 
1 1 1 -1  15  20 o 62.754  2.0700  531.246   34.773    508.877   49.076    553.800   49.277    61.419  2.9832  64.090  2.8706  -2.670807      4.139966 
1 1 1 -1  15  21 o 69.267  2.1065  648.521   39.039    684.574   55.299    612.701   55.121    71.203  2.8996  67.331  3.0564  3.872009       4.212966 
1 1 1 -1  15  22 f 30.441  2.0126  126.759   16.143    115.213   23.026    137.920   22.638    29.031  3.0046  31.851  2.6784  -2.819971      4.025118 
1 1 1 -1  15  23 o 25.331  2.1766  88.631    14.278    104.033   20.351    73.702    20.037    27.597  2.7916  23.066  3.3404  4.530725       4.353280 
1 1 1 -1  15  24 o 21.995  2.3635  67.603    13.326    80.262    19.018    55.390    18.679    24.142  3.0061  19.847  3.6481  4.295067       4.727077 
1 1 1 -1  15  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  15  26 o 10.536  2.6208  12.357    9.7380    20.740    13.565    3.4414    13.988    12.249  3.7675  8.8219  3.6441  3.427498       5.241506 
1 1 1 -1  15  27 o 22.219  2.5256  69.898    14.452    78.165    20.476    61.692    20.401    23.631  3.3271  20.807  3.8007  2.824404       5.051227 
1 1 1 -1  15  28 o 48.417  2.1186  323.467   27.317    333.689   38.344    312.931   38.928    49.231  2.9209  47.603  3.0695  1.628677       4.237119 
1 1 1 -1  15  29 o 18.158  2.8123  48.224    13.323    54.557    18.956    42.043    18.728    19.416  3.7809  16.900  4.1643  2.516239       5.624595 
1 1 1 -1  15  30 o 25.047  2.4832  89.756    16.146    82.172    22.804    97.379    22.863    23.893  3.6817  26.202  3.3332  -2.309340      4.966380 
1 1 1 -1  15  31 o 19.718  2.7477  58.063    13.965    77.726    19.907    39.008    19.596    23.341  3.2743  16.096  4.4134  7.244741       5.495330 
1 1 1 -1  15  32 o 15.941  2.8845  37.509    13.432    59.045    19.260    17.119    18.741    20.071  3.7197  11.812  4.4097  8.258304       5.768991 
1 1 1 -1  15  33 o 11.650  3.0344  17.243    12.481    19.049    17.884    15.528    17.425    11.993  4.3361  11.306  4.2459  0.6862049      6.068703 
1 1 1 -1  15  34 o 25.399  2.6234  94.926    17.278    86.707    23.775    104.125   25.152    24.166  3.7983  26.633  3.6197  -2.466745      5.246843 
1 1 1 -1  15  35 o 18.802  3.0377  55.625    14.966    57.879    21.303    53.427    21.031    19.215  4.2516  18.388  4.3398  0.8271503      6.075421 
1 1 1 -1  16  1  o 184.781 3.6801  4589.18   182.140   4604.67   257.228   4573.60   257.944   185.096 5.1884  184.466 5.2206  0.6295013      7.360290 
1 1 1 -1  16  2  o 182.883 3.6482  4495.93   178.703   4453.41   252.417   4538.66   253.032   182.013 5.1776  183.752 5.1411  -1.738617      7.296440 
1 1 1 -1  16  3  o 102.699 2.4168  1414.97   66.471    1385.32   93.822    1444.86   94.188    101.617 3.4471  103.781 3.3883  -2.163681      4.833550 
1 1 1 -1  16  4  o 123.948 2.7782  2062.45   92.231    2085.37   130.454   2039.55   130.414   124.638 3.9077  123.258 3.9502  1.380280       5.556434 
1 1 1 -1  16  5  o 102.141 2.4350  1399.89   66.612    1421.28   94.351    1378.64   94.057    102.920 3.4226  101.363 3.4644  1.557747       4.869910 
1 1 1 -1  16  6  o 12.541  2.4317  21.487    8.5575    15.885    11.867    27.555    12.352    11.032  3.5423  14.050  3.3325  -3.018225      4.863471 
1 1 1 -1  16  7  o 197.875 3.9424  5273.45   208.855   5095.05   295.502   5451.51   295.228   194.512 5.6719  201.239 5.4772  -6.726532      7.884762 
1 1 1 -1  16  8  o 80.156  2.1565  861.844   46.290    885.747   65.734    838.331   65.196    81.260  3.0201  79.053  3.0790  2.207413       4.312956 
1 1 1 -1  16  9  o 266.797 5.1225  9623.70   365.989   9849.00   518.175   9399.43   517.001   269.940 7.1667  263.654 7.3210  6.285492       10.24492 
1 1 1 -1  16  10 o 17.065  2.5674  40.531    11.410    50.144    16.483    31.688    15.810    19.051  3.3527  15.079  3.8890  3.972166       5.134727 
1 1 1 -1  16  11 o 160.117 3.3625  3450.37   144.120   3599.12   204.284   3302.98   203.353   163.568 4.6628  156.666 4.8460  6.901733       6.724999 
1 1 1 -1  16  12 o 91.342  2.3063  1120.06   56.421    1140.69   80.113    1099.77   79.475    92.178  3.2448  90.507  3.2784  1.670616       4.612649 
1 1 1 -1  16  13 o 176.133 3.6072  4184.03   170.177   4175.94   240.920   4192.08   240.415   175.961 5.1117  176.305 5.0910  -0.3446960     7.214470 
1 1 1 -1  16  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  16  15 o 109.111 2.5394  1602.53   74.211    1584.48   105.018   1620.54   104.884   108.494 3.6138  109.729 3.5686  -1.234596      5.078860 
1 1 1 -1  16  16 o 50.851  1.9246  348.522   26.106    325.267   36.974    371.641   36.865    49.109  2.8228  52.593  2.6170  -3.483791      3.849217 
1 1 1 -1  16  17 o 123.007 2.7887  2044.88   91.872    2074.73   130.040   2015.13   129.815   123.910 3.9182  122.103 3.9693  1.807152       5.577359 
1 1 1 -1  16  18 o 82.720  2.2537  923.107   49.934    927.596   70.701    918.640   70.534    82.922  3.1832  82.519  3.1912  0.4027863      4.507423 
1 1 1 -1  16  19 o 25.056  2.0578  85.883    13.538    82.525    19.252    89.168    19.042    24.551  2.9893  25.561  2.8287  -1.010332      4.115511 
1 1 1 -1  16  20 o 73.857  2.1658  737.609   42.840    750.565   60.700    724.749   60.472    74.509  3.0415  73.206  3.0840  1.302315       4.331523 
1 1 1 -1  16  21 f 45.698  1.9699  283.267   23.995    280.211   33.993    286.301   33.876    45.448  2.8062  45.949  2.7654  -0.5015602     3.939843 
1 1 1 -1  16  22 o 33.226  2.0121  150.497   17.732    148.092   25.060    152.909   25.095    32.954  2.8677  33.499  2.8232  -0.5445786     4.024155 
1 1 1 -1  16  23 o 77.092  2.2285  808.144   45.988    841.582   65.117    774.870   64.956    78.706  3.0888  75.478  3.2130  3.227905       4.456952 
1 1 1 -1  16  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  16  25 o 43.715  2.0474  261.663   23.811    275.180   33.670    248.140   33.677    44.875  2.8154  42.555  2.9733  2.319935       4.094742 
1 1 1 -1  16  26 o 30.563  2.2508  130.472   17.838    156.142   25.352    105.303   25.103    33.699  2.8351  27.427  3.4966  6.271318       4.501586 
1 1 1 -1  16  27 o 58.280  2.1437  467.993   33.379    484.366   47.158    451.555   47.252    59.373  2.9653  57.186  3.0964  2.187401       4.287316 
1 1 1 -1  16  28 o 20.608  2.7005  62.995    14.139    89.906    20.214    37.221    19.783    25.339  3.0390  15.877  4.4650  9.462446       5.401088 
1 1 1 -1  16  29 o 13.031  2.9732  23.757    12.052    30.508    17.107    17.104    16.983    14.400  4.1854  11.663  4.2240  2.737887       5.946414 
1 1 1 -1  16  30 o 21.267  2.7430  66.277    15.049    66.602    21.407    65.959    21.161    21.314  3.8932  21.221  3.8653  0.9304810E-01  5.486073 
1 1 1 -1  16  31 f 31.532  2.4582  143.883   19.827    178.214   28.121    109.943   27.960    35.620  2.9747  27.445  3.9144  8.175018       4.916441 
1 1 1 -1  16  32 o 9.9129  2.7983  7.7572    11.466    14.706    16.471    1.2245    15.970    11.028  4.1307  8.7978  3.7762  2.230283       5.596601 
1 1 1 -1  16  33 o 22.650  2.8234  77.327    16.431    87.691    23.282    67.044    23.192    24.378  3.6803  20.922  4.2827  3.455553       5.646793 
1 1 1 -1  16  34 o 18.957  3.0021  56.431    14.930    66.190    21.317    47.034    20.917    20.769  3.9768  17.146  4.4984  3.623592       6.004239 
1 1 1 -1  17  1  o 186.528 3.7522  4680.26   187.456   4717.23   264.725   4643.08   265.483   187.272 5.2776  185.785 5.3350  1.486389       7.504355 
1 1 1 -1  17  2  o 154.852 3.1911  3222.06   132.333   3144.56   186.728   3300.27   187.570   152.976 4.5572  156.728 4.4682  -3.751816      6.382175 
1 1 1 -1  17  3  o 139.274 2.9722  2605.45   110.874   2621.34   156.676   2589.51   156.924   139.701 4.1871  138.847 4.2195  0.8537140      5.944407 
1 1 1 -1  17  4  o 121.281 2.7012  1974.84   87.749    1982.51   124.012   1967.14   124.180   121.518 3.8101  121.044 3.8302  0.4736176      5.402488 
1 1 1 -1  17  5  o 240.688 4.6767  7818.48   301.434   8009.43   426.588   7628.05   425.996   243.644 6.5368  237.731 6.6901  5.913284       9.353407 
1 1 1 -1  17  6  o 200.394 4.0529  5409.50   217.540   5401.93   307.899   5417.05   307.398   200.253 5.7404  200.536 5.7229  -0.2835693     8.105806 
1 1 1 -1  17  7  o 127.601 2.8056  2186.80   95.887    2182.66   135.890   2190.90   135.322   127.479 3.9798  127.722 3.9556  -0.2427139     5.611204 
1 1 1 -1  17  8  o 24.908  2.2583  86.062    14.306    65.499    20.329    106.240   20.137    21.801  3.6074  28.014  2.7178  -6.213017      4.516661 
1 1 1 -1  17  9  o 126.311 2.7817  2143.62   94.074    2221.77   133.508   2066.55   132.580   128.604 3.8758  124.019 3.9912  4.585052       5.563418 
1 1 1 -1  17  10 o 211.038 4.1963  6012.60   237.163   6145.79   335.914   5880.23   334.888   213.384 5.8773  208.691 5.9911  4.692810       8.392605 
1 1 1 -1  17  11 o 36.181  1.9246  176.590   18.511    180.842   26.434    172.498   25.930    36.612  2.7149  35.751  2.7285  0.8607674      3.849109 
1 1 1 -1  17  12 o 124.189 3.9696  2087.15   131.849   2115.35   182.311   2056.23   190.911   125.106 5.4406  123.273 5.7819  1.832939       7.939200 
1 1 1 -1  17  13 o 60.464  4.4891  495.891   72.183    495.891   72.183    0.0000    0.0000    60.464  4.4891  ?       ?       ?              ?        
1 1 1 -1  17  14 o 62.594  2.0097  526.525   33.691    537.151   47.910    516.130   47.387    63.220  2.8294  61.969  2.8549  1.251316       4.019434 
1 1 1 -1  17  15 o 131.593 2.9142  2340.26   102.713   2317.35   145.396   2363.08   145.120   130.943 4.1455  132.243 4.0970  -1.299652      5.828442 
1 1 1 -1  17  16 o 23.743  2.1515  77.206    13.274    88.209    19.079    66.884    18.480    25.441  2.8488  22.045  3.2250  3.395430       4.303087 
1 1 1 -1  17  17 o 46.113  1.9476  287.915   23.803    327.545   34.052    250.045   33.287    49.257  2.5900  42.969  2.9093  6.287632       3.895192 
1 1 1 -1  17  18 o 57.803  1.9944  450.776   30.876    456.483   43.869    445.173   43.465    58.166  2.8158  57.440  2.8251  0.7265244      3.988713 
1 1 1 -1  17  19 o 102.761 2.5223  1433.75   69.426    1430.69   98.203    1436.80   98.162    102.650 3.5717  102.872 3.5625  -0.2225189     5.044676 
1 1 1 -1  17  20 o 85.470  2.3059  991.093   52.773    1020.51   74.803    961.943   74.464    86.747  3.2194  84.194  3.3020  2.553146       4.611716 
1 1 1 -1  17  21 o 30.387  2.1312  128.230   16.726    101.048   23.848    154.545   23.465    27.061  3.3627  33.713  2.6191  -6.651592      4.262326 
1 1 1 -1  17  22 o 71.042  2.1687  685.979   41.259    702.809   58.420    669.230   58.278    71.923  3.0325  70.161  3.1011  1.762146       4.337420 
1 1 1 -1  17  23 o 23.507  2.6718  77.780    16.033    78.334    21.068    77.019    24.713    23.705  3.4169  23.309  4.1085  0.3962498      5.343701 
1 1 1 -1  17  24 o 36.029  2.0869  178.301   19.949    171.388   28.204    185.221   28.220    35.307  3.0111  36.750  2.8902  -1.443024      4.173747 
1 1 1 -1  17  25 o 35.702  2.1768  176.147   20.566    189.872   29.247    162.722   28.925    37.126  2.9659  34.277  3.1870  2.848614       4.353582 
1 1 1 -1  17  26 o 42.816  2.1114  253.596   23.975    278.715   34.088    229.008   33.726    44.987  2.8436  40.645  3.1218  4.341637       4.222734 
1 1 1 -1  17  27 o 17.767  2.7594  46.332    12.799    52.666    17.969    39.809    18.234    19.100  3.6453  16.433  4.1436  2.667049       5.518779 
1 1 1 -1  17  28 o 25.949  2.4299  96.663    16.231    80.962    23.096    111.986   22.816    23.666  3.7700  28.231  3.0666  -4.565397      4.859715 
1 1 1 -1  17  29 o 24.844  2.5574  89.175    16.466    94.835    23.051    83.278    23.530    25.751  3.4272  23.936  3.7968  1.814117       5.114834 
1 1 1 -1  17  30 o 25.751  3.6881  100.646   21.672    106.679   43.468    98.650    25.001    25.398  6.3940  26.103  3.6777  -0.7047195     7.376203 
1 1 1 -1  17  31 o 23.452  2.6981  80.973    16.355    77.791    23.181    84.125    23.077    22.931  3.9146  23.973  3.7141  -1.041866      5.396198 
1 1 1 -1  17  32 o 9.8280  2.8678  6.6128    12.310    10.449    17.540    2.8889    17.281    10.397  4.1587  9.2591  3.9498  1.137896       5.735509 
1 1 1 -1  18  1  o 112.492 2.5603  1698.57   77.143    1693.12   108.693   1704.09   109.504   112.311 3.6132  112.673 3.6284  -0.3621140     5.120615 
1 1 1 -1  18  2  o 175.385 3.5671  4137.97   167.570   4126.64   236.607   4149.38   237.354   175.145 5.0436  175.626 5.0457  -0.4816437     7.134186 
1 1 1 -1  18  3  o 123.245 2.7447  2039.75   90.602    2053.60   127.965   2025.82   128.296   123.666 3.8632  122.824 3.8998  0.8422852      5.489367 
1 1 1 -1  18  4  o 182.157 3.6849  4466.24   179.736   4341.79   253.996   4591.05   254.376   179.603 5.2799  184.710 5.1416  -5.107452      7.369724 
1 1 1 -1  18  5  o 111.491 2.6027  1668.90   77.720    1686.73   110.036   1651.15   109.789   112.086 3.6652  110.895 3.6962  1.190811       5.205343 
1 1 1 -1  18  6  o 184.527 3.7585  4585.21   185.766   4591.97   262.897   4578.46   262.528   184.663 5.3152  184.391 5.3155  0.2719116      7.517031 
1 1 1 -1  18  7  o 29.221  2.0218  115.737   15.590    124.001   22.118    107.578   21.977    30.280  2.7573  28.162  2.9577  2.117748       4.043622 
1 1 1 -1  18  8  o 204.006 4.0533  5615.71   221.484   5653.19   313.658   5578.45   312.794   204.688 5.7210  203.325 5.7435  1.363480       8.106699 
1 1 1 -1  18  9  o 187.934 3.8022  4765.68   191.386   4831.10   271.129   4700.72   270.194   189.227 5.3494  186.641 5.4048  2.585236       7.604460 
1 1 1 -1  18  10 o 53.700  1.9815  388.046   28.397    395.238   40.615    381.168   39.718    54.188  2.8080  53.213  2.7965  0.9748154      3.962949 
1 1 1 -1  18  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  18  12 o 20.130  2.3858  55.911    12.400    58.323    17.941    53.706    17.157    20.554  3.3762  19.705  3.3719  0.8486366      4.771626 
1 1 1 -1  18  13 o 103.058 2.5177  1431.59   69.494    1421.09   98.635    1441.94   97.928    102.678 3.5865  103.438 3.5346  -0.7602463     5.035466 
1 1 1 -1  18  14 o 72.369  2.1403  705.387   41.426    756.548   59.061    655.839   58.122    74.964  2.9414  69.775  3.1100  5.189079       4.280630 
1 1 1 -1  18  15 o 111.652 2.6123  1686.37   78.116    1664.71   110.650   1707.88   110.297   110.929 3.7241  112.376 3.6644  -1.446915      5.224620 
1 1 1 -1  18  16 o 76.582  2.1936  792.162   44.958    834.542   63.888    750.589   63.276    78.625  3.0337  74.538  3.1694  4.086647       4.387281 
1 1 1 -1  18  17 o 31.226  1.9817  132.510   16.368    143.361   23.553    122.373   22.764    32.483  2.7325  29.970  2.8710  2.513397       3.963443 
1 1 1 -1  18  18 o 61.953  2.0703  519.133   34.352    513.825   48.766    524.360   48.398    61.634  2.9540  62.273  2.9016  -0.6395035     4.140697 
1 1 1 -1  18  19 o 44.253  1.9936  265.974   23.504    265.139   33.484    266.784   33.001    44.178  2.8448  44.327  2.7938  -0.1485863     3.987259 
1 1 1 -1  18  20 o 39.847  2.0173  216.312   21.376    209.995   30.402    222.488   30.061    39.255  2.9122  40.439  2.7924  -1.184414      4.034693 
1 1 1 -1  18  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  18  22 o 23.160  2.3453  74.766    14.127    73.472    20.139    76.020    19.821    22.942  3.3785  23.377  3.2538  -0.4348373     4.690547 
1 1 1 -1  18  23 o 29.559  2.1929  120.822   17.096    124.507   24.169    117.133   24.184    30.031  3.0469  29.088  3.1546  0.9430370      4.385839 
1 1 1 -1  18  24 o 13.780  2.9018  27.020    11.644    21.830    16.757    31.866    16.191    12.707  4.2178  14.854  3.9864  -2.146841      5.803573 
1 1 1 -1  18  25 o 31.537  2.2207  138.508   18.506    141.808   26.469    135.352   25.882    31.909  3.1375  31.165  3.1435  0.7436924      4.441386 
1 1 1 -1  18  26 o 83.493  2.3967  973.372   53.586    995.531   75.721    951.142   75.844    84.488  3.3460  82.498  3.4323  1.990608       4.793422 
1 1 1 -1  18  27 o 27.075  2.7722  110.507   17.783    169.931   25.700    55.913    24.633    34.970  2.7663  19.180  4.8050  15.79053       5.544413 
1 1 1 -1  18  28 f 29.545  2.4247  125.023   18.509    149.497   26.437    101.495   25.922    32.603  3.0633  26.487  3.7592  6.115734       4.849312 
1 1 1 -1  18  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  18  30 o 12.841  2.8383  18.189    13.007    44.658    19.181    -4.3411   17.696    17.141  4.2086  8.5406  3.8094  8.600917       5.676620 
1 1 1 -1  18  31 f 14.118  3.1251  29.989    13.440    38.945    19.293    21.545    18.734    15.824  4.3951  12.411  4.4439  3.412734       6.250225 
1 1 1 -1  19  1  o 135.880 2.9057  2480.26   105.740   2427.04   148.969   2534.31   150.114   134.408 4.1379  137.352 4.0803  -2.943939      5.811320 
1 1 1 -1  19  2  o 45.775  1.9259  282.896   23.392    313.701   33.056    252.000   33.105    48.300  2.5643  43.250  2.8741  5.050751       3.851804 
1 1 1 -1  19  3  f 91.086  2.3124  1113.77   56.393    1146.80   79.616    1080.51   79.889    92.445  3.2153  89.727  3.3241  2.718109       4.624745 
1 1 1 -1  19  4  o 145.721 3.0383  2854.73   118.568   2788.24   167.502   2921.50   167.861   144.014 4.3423  147.428 4.2509  -3.413223      6.076698 
1 1 1 -1  19  5  o 124.072 2.8112  2068.71   93.422    2074.92   132.166   2062.50   132.073   124.259 3.9710  123.886 3.9802  0.3732758      5.622361 
1 1 1 -1  19  6  o 72.666  2.1554  708.845   41.930    736.845   59.461    681.150   59.136    74.096  2.9961  71.235  3.0993  2.860641       4.310729 
1 1 1 -1  19  7  o 75.462  2.1207  764.434   42.861    778.950   60.841    750.133   60.390    76.174  2.9820  74.750  3.0163  1.424385       4.241453 
1 1 1 -1  19  8  o 56.979  2.8128  437.136   42.473    419.998   57.020    458.497   63.659    55.742  3.8425  58.216  4.1089  -2.473473      5.625672 
1 1 1 -1  19  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  19  10 o 94.104  2.3667  1191.59   59.650    1184.11   84.626    1198.97   84.093    93.808  3.3680  94.400  3.3258  -0.5923386     4.733345 
1 1 1 -1  19  11 o 60.923  2.0291  499.036   33.080    528.720   47.175    470.322   46.398    62.711  2.8085  59.136  2.9293  3.574627       4.058142 
1 1 1 -1  19  12 o 53.633  1.9660  387.465   28.163    409.333   40.169    366.325   39.495    55.166  2.7185  52.101  2.8409  3.065140       3.932056 
1 1 1 -1  19  13 o 25.189  2.1686  86.891    14.200    100.577   20.388    73.999    19.788    27.182  2.8424  23.196  3.2761  3.986509       4.337289 
1 1 1 -1  19  14 o 40.322  1.9518  220.174   20.947    217.402   29.842    222.868   29.411    40.065  2.7984  40.580  2.7216  -0.5150261     3.903619 
1 1 1 -1  19  15 o 67.312  2.0940  611.987   37.748    604.594   53.587    619.269   53.184    66.903  2.9904  67.721  2.9320  -0.8182220     4.187958 
1 1 1 -1  19  16 o 26.130  2.1308  93.458    14.629    98.034    20.987    89.134    20.403    26.766  2.9779  25.493  3.0485  1.272699       4.261594 
1 1 1 -1  19  17 o 22.109  2.3182  67.829    13.278    63.018    18.886    72.532    18.671    21.284  3.4293  22.934  3.1204  -1.650171      4.636488 
1 1 1 -1  19  18 o 88.461  2.3590  1063.72   55.894    1075.52   79.289    1052.06   78.804    88.952  3.3279  87.970  3.3444  0.9815674      4.718083 
1 1 1 -1  19  19 o 48.100  2.0386  314.845   26.142    318.850   37.157    310.919   36.787    48.405  2.8789  47.795  2.8871  0.6100349      4.077207 
1 1 1 -1  19  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  19  21 o 30.947  2.1140  131.761   17.302    134.638   24.541    128.918   24.397    31.293  2.9632  30.601  3.0158  0.6919403      4.227909 
1 1 1 -1  19  22 o 10.365  2.6131  10.987    9.8282    1.1499    13.797    21.122    14.004    8.3901  3.5523  12.341  3.8333  -3.950787      5.226210 
1 1 1 -1  19  23 o 20.712  2.6650  62.581    14.052    45.846    20.068    78.678    19.683    17.715  4.2778  23.710  3.1794  -5.994762      5.329931 
1 1 1 -1  19  24 o 32.235  2.2260  145.275   18.906    133.692   26.884    156.609   26.592    30.887  3.3007  33.583  2.9875  -2.695854      4.452000 
1 1 1 -1  19  25 o 46.246  2.1493  297.703   26.453    312.919   37.582    282.763   37.240    47.461  2.9713  45.032  3.1065  2.428635       4.298680 
1 1 1 -1  19  26 o 13.246  2.8558  24.153    12.196    8.2178    17.534    39.090    16.976    10.235  4.1353  16.257  3.9399  -6.021672      5.711668 
1 1 1 -1  19  27 o 22.869  2.6950  76.022    15.785    92.252    23.010    61.594    21.695    25.364  3.4787  20.375  4.1170  4.989378       5.389904 
1 1 1 -1  19  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  19  29 o 22.917  2.8189  78.390    16.476    60.009    22.864    98.241    23.762    19.801  4.4227  26.033  3.4961  -6.232077      5.637704 
1 1 1 -1  19  30 f 13.396  2.9649  25.364    13.114    42.375    18.525    8.2770    18.566    16.562  4.1768  10.230  4.2090  6.331696       5.929737 
1 1 1 -1  20  1  o 78.465  2.1220  825.985   44.583    797.199   62.687    855.447   63.419    77.080  3.0363  79.850  2.9652  -2.769836      4.244029 
1 1 1 -1  20  2  o 90.865  2.2952  1108.21   55.840    1067.96   78.550    1149.33   79.397    89.194  3.2879  92.535  3.2034  -3.341133      4.590415 
1 1 1 -1  20  3  o 122.102 2.7241  2003.55   89.087    1976.07   125.651   2031.32   126.328   121.258 3.8687  122.945 3.8362  -1.687141      5.448224 
1 1 1 -1  20  4  o 111.080 2.5946  1658.21   77.189    1626.94   108.970   1689.70   109.355   110.026 3.6976  112.134 3.6409  -2.107857      5.189293 
1 1 1 -1  20  5  o 140.387 2.9889  2653.79   112.337   2558.98   158.784   2748.80   158.953   137.864 4.3000  142.911 4.1525  -5.047348      5.977748 
1 1 1 -1  20  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  20  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  20  8  o 85.815  2.2602  990.915   51.931    960.289   73.566    1021.34   73.318    84.487  3.2508  87.144  3.1411  -2.657097      4.520476 
1 1 1 -1  20  9  o 90.212  2.3238  1095.75   56.150    1099.11   79.627    1092.43   79.191    90.348  3.2904  90.075  3.2824  0.2735977      4.647647 
1 1 1 -1  20  10 o 38.541  1.9265  200.798   19.745    210.452   28.067    191.340   27.781    39.470  2.6706  37.612  2.7772  1.857269       3.852940 
1 1 1 -1  20  11 o 88.105  2.3130  1047.61   54.562    1017.16   77.333    1077.80   76.994    86.819  3.3255  89.391  3.2157  -2.572655      4.625977 
1 1 1 -1  20  12 o 37.950  1.9663  195.168   19.840    191.671   28.275    198.560   27.847    37.605  2.8278  38.294  2.7329  -0.6884995     3.932610 
1 1 1 -1  20  13 o 44.251  1.9984  265.134   23.542    280.214   33.662    250.698   32.937    45.496  2.7756  43.006  2.8759  2.489624       3.996863 
1 1 1 -1  20  14 o 30.174  2.0845  124.178   16.526    141.757   23.795    107.801   22.968    32.286  2.7787  28.062  3.1080  4.224289       4.168988 
1 1 1 -1  20  15 o 34.649  2.0781  163.564   18.982    187.139   27.312    141.535   26.400    37.115  2.7673  32.184  3.1009  4.930462       4.156108 
1 1 1 -1  20  16 o 58.918  2.0714  470.490   32.574    506.997   46.619    435.663   45.533    61.209  2.8436  56.626  3.0129  4.582214       4.142873 
1 1 1 -1  20  17 o 43.805  2.0377  261.481   23.741    248.178   33.785    274.457   33.367    42.676  2.9743  44.934  2.7861  -2.258633      4.075392 
1 1 1 -1  20  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  20  19 o 23.521  2.4261  77.699    14.436    100.651   20.913    56.809    19.951    27.043  2.9342  19.999  3.8644  7.044483       4.852149 
1 1 1 -1  20  20 o 22.566  2.4351  71.464    14.248    70.529    20.316    72.369    19.988    22.402  3.5003  22.731  3.3863  -0.3286896     4.870214 
1 1 1 -1  20  21 o 11.602  2.5927  15.916    10.423    -0.5023   15.018    31.173    14.477    8.4835  3.6520  14.721  3.6813  -6.237164      5.185465 
1 1 1 -1  20  22 o 40.802  2.1126  229.994   22.920    238.456   32.673    221.796   32.159    41.558  2.9545  40.046  3.0204  1.512165       4.225126 
1 1 1 -1  20  23 o 7.2872  2.2675  -4.2092   8.7676    -10.0965  12.068    2.3728    12.760    6.3401  2.9466  8.2343  3.4473  -1.894145      4.535015 
1 1 1 -1  20  24 f 25.343  2.4935  91.603    16.460    95.103    23.647    88.313    22.927    25.827  3.5092  24.860  3.5435  0.9676971      4.987030 
1 1 1 -1  20  25 o 24.251  2.5911  84.707    16.295    87.957    23.564    81.728    22.558    24.700  3.6736  23.802  3.6552  0.8977242      5.182250 
1 1 1 -1  20  26 o 32.589  2.3517  150.699   20.239    149.105   28.516    152.317   28.731    32.411  3.3323  32.768  3.3192  -0.3572159     4.703325 
1 1 1 -1  20  27 o 11.377  3.0514  14.889    12.942    10.127    18.616    19.343    18.005    10.655  4.2764  12.099  4.3540  -1.443208      6.102875 
1 1 1 -1  20  28 o 16.651  3.2133  42.978    14.732    42.042    21.194    43.853    20.491    16.455  4.6194  16.848  4.4678  -0.3936462     6.426529 
1 1 1 -1  20  29 o 28.427  2.6445  120.342   19.445    136.802   27.530    103.954   27.469    30.620  3.4148  26.234  4.0388  4.386532       5.288927 
1 1 1 -1  21  1  o 92.725  2.3187  1154.61   57.585    1137.92   81.048    1171.63   81.834    92.047  3.2873  93.402  3.2710  -1.354965      4.637476 
1 1 1 -1  21  2  o 288.595 5.5901  11355.82  432.036   11094.76  610.268   11618.13  611.717   285.215 7.9884  291.974 7.8220  -6.758392      11.18024 
1 1 1 -1  21  3  o 109.199 3.7069  1623.67   107.459   1757.74   148.123   1474.71   156.132   114.135 4.8453  104.264 5.6114  9.870956       7.413794 
1 1 1 -1  21  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  21  5  o 78.885  2.1902  837.013   46.230    791.102   65.227    883.355   65.532    76.703  3.1749  81.067  3.0180  -4.364723      4.380447 
1 1 1 -1  21  6  o 105.353 2.5182  1495.09   71.060    1487.44   100.570   1502.73   100.418   105.082 3.5731  105.625 3.5494  -0.5426865     5.036422 
1 1 1 -1  21  7  o 32.192  1.9787  140.340   16.879    147.566   24.121    133.406   23.628    33.016  2.7527  31.368  2.8431  1.647509       3.957314 
1 1 1 -1  21  8  o 18.555  2.4524  51.087    11.687    20.089    16.541    81.992    16.516    12.545  4.1915  24.565  2.5472  -12.01916      4.904772 
1 1 1 -1  21  9  o 61.725  2.0220  513.270   33.423    501.987   47.323    524.499   47.211    61.044  2.8943  62.406  2.8244  -1.362492      4.044057 
1 1 1 -1  21  10 o 78.830  2.2031  838.762   46.515    848.858   66.012    828.805   65.555    79.303  3.1077  78.357  3.1234  0.9454346      4.406118 
1 1 1 -1  21  11 o 46.331  1.9752  290.735   24.384    281.840   34.632    299.480   34.338    45.616  2.8487  47.047  2.7367  -1.430874      3.950303 
1 1 1 -1  21  12 o 60.423  2.0623  493.390   33.370    486.218   47.408    500.433   46.980    59.981  2.9508  60.865  2.8818  -0.8832092     4.124545 
1 1 1 -1  21  13 o 17.381  2.5947  42.749    11.679    40.125    17.080    45.053    16.005    16.837  3.8685  17.925  3.4589  -1.087912      5.189322 
1 1 1 -1  21  14 o 15.098  2.5469  31.098    11.157    54.091    16.300    10.829    15.304    19.729  3.1937  10.468  3.9683  9.260745       5.093825 
1 1 1 -1  21  15 o 73.085  2.2361  725.597   43.759    709.007   62.165    741.891   61.607    72.240  3.2127  73.929  3.1112  -1.689095      4.472273 
1 1 1 -1  21  16 o 25.206  2.2343  87.664    14.733    93.333    21.086    82.256    20.595    26.031  3.0841  24.381  3.2336  1.650133       4.468537 
1 1 1 -1  21  17 o 19.909  2.6860  56.115    13.794    60.704    19.744    51.739    19.280    20.749  3.6877  19.069  3.9063  1.680746       5.371948 
1 1 1 -1  21  18 o 16.992  2.7445  41.375    12.225    44.129    17.380    38.679    17.198    17.572  3.8032  16.413  3.9579  1.158358       5.489034 
1 1 1 -1  21  19 o 34.113  2.1927  160.932   19.773    153.724   28.396    167.717   27.550    33.324  3.2215  34.901  2.9755  -1.576794      4.385364 
1 1 1 -1  21  20 f 25.675  2.4518  92.581    16.403    99.458    23.605    86.159    22.810    26.639  3.3847  24.711  3.5480  1.927320       4.903530 
1 1 1 -1  21  21 o 33.815  2.2073  159.232   19.753    155.187   28.154    163.154   27.722    33.361  3.1896  34.270  3.0521  -0.9085464     4.414627 
1 1 1 -1  21  22 o 20.181  2.7184  59.116    14.154    59.958    20.302    58.320    19.742    20.313  3.8728  20.049  3.8157  0.2647705      5.436732 
1 1 1 -1  21  23 o 50.163  2.1762  350.954   29.067    373.101   41.609    329.844   40.624    51.753  3.0147  48.572  3.1393  3.181019       4.352458 
1 1 1 -1  21  24 o 33.534  2.3314  159.329   20.585    173.946   29.139    144.765   29.086    35.173  3.1255  31.894  3.4602  3.279003       4.662812 
1 1 1 -1  21  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  21  26 o 15.595  3.0984  36.713    13.680    45.292    19.631    28.613    19.075    17.276  4.2674  13.914  4.4933  3.362349       6.196799 
1 1 1 -1  21  27 f 26.092  2.7836  102.312   18.410    79.226    26.088    125.214   25.983    22.733  4.4438  29.450  3.3537  -6.717836      5.567257 
1 1 1 -1  22  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  22  2  o 168.744 3.4396  3849.75   155.463   3835.13   219.275   3864.53   220.445   168.423 4.8607  169.065 4.8681  -0.6419525     6.879294 
1 1 1 -1  22  3  o 173.104 3.5537  4058.48   164.747   3977.02   232.538   4140.57   233.440   171.344 5.0669  174.863 4.9841  -3.519791      7.107341 
1 1 1 -1  22  4  o 54.063  1.9749  393.680   28.512    372.158   40.180    415.509   40.466    52.529  2.8666  55.598  2.7173  -3.068344      3.949816 
1 1 1 -1  22  5  o 157.831 3.3230  3378.23   140.467   3431.18   198.626   3325.25   198.674   159.085 4.6614  156.578 4.7372  2.506317       6.646049 
1 1 1 -1  22  6  o 48.258  1.9670  314.976   25.219    282.256   35.466    348.439   35.867    45.692  2.9131  50.825  2.6438  -5.132854      3.933941 
1 1 1 -1  22  7  o 49.366  1.9691  329.300   25.928    324.371   36.692    334.216   36.644    48.992  2.8079  49.740  2.7613  -0.7474060     3.938133 
1 1 1 -1  22  8  f 55.732  1.9910  419.809   29.625    418.963   41.930    420.652   41.863    55.675  2.8210  55.790  2.8105  -0.1143990     3.982058 
1 1 1 -1  22  9  o 85.747  2.3032  994.642   52.896    988.543   74.947    1000.70   74.667    85.481  3.2734  86.013  3.2410  -0.5323944     4.606378 
1 1 1 -1  22  10 o 40.514  2.0120  222.741   21.686    230.643   30.839    215.011   30.502    41.234  2.8090  39.793  2.8812  1.441639       4.023943 
1 1 1 -1  22  11 o 47.831  2.0186  310.345   25.743    310.978   36.592    309.724   36.222    47.877  2.8666  47.785  2.8429  0.9193420E-01  4.037249 
1 1 1 -1  22  12 o 17.577  2.5732  43.612    11.716    40.421    16.603    46.776    16.534    16.901  3.7641  18.253  3.5094  -1.351830      5.146304 
1 1 1 -1  22  13 o 59.575  2.0882  481.568   33.260    494.059   47.316    469.366   46.764    60.382  2.9256  58.768  2.9806  1.613777       4.176496 
1 1 1 -1  22  14 f 24.822  2.3686  85.853    15.215    75.280    21.697    96.083    21.342    23.220  3.6055  26.424  3.0728  -3.203024      4.737269 
1 1 1 -1  22  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  22  16 f 10.879  2.7576  13.924    10.253    11.256    14.390    16.676    14.613    10.309  3.8609  11.449  3.9384  -1.140380      5.515182 
1 1 1 -1  22  17 o 29.919  2.3241  125.319   18.011    102.799   25.558    147.539   25.387    27.088  3.6126  32.751  2.9248  -5.662271      4.648103 
1 1 1 -1  22  18 o 12.433  2.6723  19.400    11.120    1.9743    15.937    35.932    15.523    9.0730  3.8284  15.792  3.7295  -6.719052      5.344678 
1 1 1 -1  22  19 o 21.307  2.7032  66.976    14.522    40.688    20.399    93.989    20.678    16.641  4.4780  25.973  3.0292  -9.331673      5.406365 
1 1 1 -1  22  20 o 42.515  2.1524  251.011   24.346    250.768   34.680    251.247   34.186    42.483  3.0684  42.547  3.0194  -0.6482697E-01 4.304811 
1 1 1 -1  22  21 o 18.467  2.8355  50.105    13.614    51.313    19.693    48.999    18.841    18.669  4.0545  18.265  3.9649  0.4036350      5.670931 
1 1 1 -1  22  22 o 56.384  2.2351  445.178   33.593    428.498   47.723    461.561   47.297    55.275  3.2375  57.494  3.0825  -2.219078      4.470256 
1 1 1 -1  22  23 o 43.782  2.2090  269.043   25.726    277.652   36.506    260.551   36.258    44.508  3.0812  43.056  3.1662  1.451775       4.418018 
1 1 1 -1  22  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  22  25 o 33.265  2.4321  159.299   21.161    182.713   30.220    136.773   29.642    35.849  3.1803  30.681  3.6805  5.168077       4.864210 
1 1 1 -1  22  26 o 16.762  3.1358  44.244    14.728    31.245    21.228    56.308    20.450    14.307  4.7472  19.216  4.0984  -4.908789      6.271517 
1 1 1 -1  23  1  o 36.581  1.9144  180.786   18.588    166.359   25.953    195.981   26.634    35.065  2.7862  38.096  2.6262  -3.031570      3.828857 
1 1 1 -1  23  2  o 179.476 3.6654  4380.91   176.117   4208.63   248.270   4555.42   249.873   175.878 5.2702  183.074 5.0957  -7.196091      7.330798 
1 1 1 -1  23  3  o 97.125  2.4079  1272.74   62.620    1228.92   88.209    1317.26   88.911    95.430  3.4509  98.820  3.3591  -3.390068      4.815829 
1 1 1 -1  23  4  o 122.579 2.7638  2034.30   90.739    2006.93   128.009   2061.94   128.641   121.744 3.9256  123.413 3.8916  -1.668930      5.527624 
1 1 1 -1  23  5  o 87.276  2.2919  1028.71   53.576    1024.24   75.586    1033.22   75.953    87.086  3.2404  87.467  3.2420  -0.3807602     4.583770 
1 1 1 -1  23  6  o 50.624  1.9528  346.572   26.374    339.007   37.200    354.218   37.399    50.062  2.7852  51.185  2.7378  -1.122753      3.905542 
1 1 1 -1  23  7  o 60.285  2.0511  490.857   33.113    480.534   46.873    501.142   46.785    59.646  2.9339  60.923  2.8670  -1.277191      4.102187 
1 1 1 -1  23  8  o 69.335  2.1297  650.174   39.551    653.723   56.104    646.669   55.763    69.523  3.0129  69.147  3.0108  0.3756866      4.259371 
1 1 1 -1  23  9  o 73.185  2.1817  725.466   42.760    711.966   60.567    738.881   60.376    72.497  3.1191  73.873  3.0513  -1.375641      4.363406 
1 1 1 -1  23  10 o 89.846  2.3887  1097.16   57.460    1061.44   81.345    1132.73   81.176    88.364  3.4369  91.329  3.3184  -2.964767      4.777458 
1 1 1 -1  23  11 o 29.409  2.1844  118.648   16.935    113.258   23.908    124.076   23.992    28.716  3.1607  30.103  3.0162  -1.387392      4.368861 
1 1 1 -1  23  12 o 75.497  2.2376  775.130   45.245    770.447   64.219    779.745   63.757    75.263  3.1856  75.731  3.1432  -0.4681549     4.475226 
1 1 1 -1  23  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  23  14 f 65.576  2.1810  586.288   38.256    629.073   54.770    545.528   53.457    67.939  3.0097  63.212  3.1573  4.727100       4.362011 
1 1 1 -1  23  15 o 12.467  2.6436  17.707    11.094    -0.1376   15.156    38.303    16.283    8.5936  3.6833  16.341  3.7932  -7.747047      5.287229 
1 1 1 -1  23  16 o 9.7217  2.6343  3.9179    10.780    19.797    15.661    -10.3772  14.860    12.189  4.0785  7.2547  3.3352  4.933829       5.268587 
1 1 1 -1  23  17 o 38.263  2.1611  202.466   21.948    212.593   31.336    192.713   30.751    39.227  3.0053  37.298  3.1064  1.928555       4.322190 
1 1 1 -1  23  18 o 32.342  2.2726  146.147   19.364    160.178   27.694    132.727   27.085    33.928  3.0811  30.757  3.3416  3.171040       4.545253 
1 1 1 -1  23  19 o 12.831  2.8037  21.346    11.560    36.833    16.859    7.6025    15.881    15.825  3.9809  9.8367  3.9492  5.988419       5.607457 
1 1 1 -1  23  20 o 21.444  2.8028  68.752    15.272    43.983    21.485    94.051    21.713    17.097  4.5935  25.791  3.2127  -8.694189      5.605553 
1 1 1 -1  23  21 o 9.4276  2.5872  0.6557    11.065    -18.5760  15.480    20.747    15.822    6.6267  3.1574  12.228  4.0994  -5.601735      5.174346 
1 1 1 -1  23  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  23  23 o 33.956  2.4603  165.178   22.038    174.203   31.448    156.470   30.891    34.920  3.4056  32.991  3.5517  1.928642       4.920660 
1 1 1 -1  23  24 o 31.968  2.5163  148.475   21.126    141.221   30.275    155.360   29.495    31.096  3.7080  32.840  3.4026  -1.743732      5.032581 
1 1 1 -1  23  25 o 25.774  2.7584  100.253   18.150    81.111    25.564    119.710   25.773    22.934  4.3200  28.614  3.4312  -5.679817      5.516852 
1 1 1 -1  24  1  o 37.972  1.9101  194.991   19.279    182.756   26.916    207.881   27.626    36.736  2.7555  39.209  2.6460  -2.472942      3.820264 
1 1 1 -1  24  2  o 39.341  1.9237  209.793   20.108    223.157   28.361    196.286   28.513    40.624  2.6204  38.059  2.8171  2.565029       3.847389 
1 1 1 -1  24  3  o 48.908  1.9472  323.500   25.403    321.580   35.681    325.473   36.176    48.763  2.7430  49.054  2.7646  -0.2914581     3.894487 
1 1 1 -1  24  4  o 42.723  1.9384  247.296   22.057    242.602   31.347    251.899   31.043    42.313  2.7814  43.133  2.7006  -0.8205833     3.876782 
1 1 1 -1  24  5  o 66.887  2.0828  604.725   37.311    612.990   52.710    596.425   52.822    67.350  2.9219  66.424  2.9689  0.9259033      4.165614 
1 1 1 -1  24  6  o 59.021  2.0275  470.936   32.050    475.040   45.237    466.800   45.414    59.282  2.8489  58.759  2.8855  0.5234146      4.054945 
1 1 1 -1  24  7  o 19.592  2.3891  53.600    12.068    57.730    17.113    49.513    17.021    20.389  3.2421  18.795  3.5101  1.594530       4.778256 
1 1 1 -1  24  8  o 122.461 2.8561  2051.97   93.655    1994.53   132.491   2109.34   132.405   120.710 4.0978  124.212 3.9797  -3.501869      5.712295 
1 1 1 -1  24  9  o 77.260  2.2502  811.057   46.556    792.755   65.812    829.391   65.869    76.376  3.2171  78.145  3.1469  -1.769371      4.500320 
1 1 1 -1  24  10 o 50.830  2.0613  351.852   27.928    366.179   39.517    337.556   39.475    51.884  2.8546  49.775  2.9744  2.108521       4.122601 
1 1 1 -1  24  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  24  12 o 15.517  2.8815  34.489    12.130    33.971    17.085    35.016    17.224    15.403  4.0772  15.631  4.0728  -0.2279530     5.762908 
1 1 1 -1  24  13 o 51.115  2.1252  357.901   28.946    376.700   41.345    339.828   40.539    52.455  2.9548  49.775  3.0554  2.679115       4.250422 
1 1 1 -1  24  14 o 42.804  2.1329  251.887   24.260    270.786   34.821    234.059   33.820    44.397  2.9449  41.211  3.0863  3.185478       4.265868 
1 1 1 -1  24  15 o 18.594  2.8481  50.314    13.848    62.344    19.756    38.693    19.418    20.910  3.6607  16.278  4.3642  4.632257       5.696212 
1 1 1 -1  24  16 o 14.855  2.9642  32.130    12.305    32.501    17.619    31.776    17.193    14.934  4.2187  14.775  4.1651  0.1589813      5.928379 
1 1 1 -1  24  17 o 17.488  2.8617  44.946    13.140    45.859    18.606    44.038    18.561    17.675  4.0209  17.301  4.0729  0.3739986      5.723305 
1 1 1 -1  24  18 f 14.437  2.9107  30.114    12.596    44.049    17.685    15.769    17.944    17.309  3.9072  11.565  4.3154  5.744206       5.821357 
1 1 1 -1  24  19 o 32.284  2.3393  147.688   19.877    138.419   28.464    156.512   27.771    31.203  3.4642  33.364  3.1446  -2.160902      4.678590 
1 1 1 -1  24  20 o 14.360  2.9260  30.324    13.282    9.9074    19.871    46.813    17.858    10.905  4.4035  17.816  3.8543  -6.911736      5.852037 
1 1 1 -1  24  21 o 11.994  3.0976  17.863    13.142    11.923    18.351    24.115    18.829    10.904  4.2880  13.083  4.4716  -2.179317      6.195292 
1 1 1 -1  24  22 o 20.985  2.9818  66.366    16.178    66.528    22.978    66.206    22.782    21.004  4.2306  20.966  4.2031  0.3748512E-01  5.963577 
1 1 1 -1  24  23 f 19.351  3.1453  57.775    15.995    67.411    23.410    49.337    21.906    20.961  4.3134  17.741  4.5789  3.220106       6.290608 
1 1 1 -1  25  1  o 53.650  1.9556  389.492   28.001    390.932   39.233    387.997   39.976    53.757  2.7337  53.542  2.7972  0.2153168      3.911184 
1 1 1 -1  25  2  o 21.444  2.2694  63.794    12.591    68.072    17.566    59.275    18.055    22.237  3.0280  20.652  3.3811  1.584969       4.538816 
1 1 1 -1  25  3  o 34.796  1.9356  164.456   17.864    152.346   24.947    177.202   25.594    33.461  2.8095  36.132  2.6634  -2.670979      3.871274 
1 1 1 -1  25  4  o 55.214  2.0073  413.038   29.615    424.339   41.692    401.529   42.075    56.026  2.7783  54.402  2.8979  1.623558       4.014572 
1 1 1 -1  25  5  o 60.490  2.0724  495.492   33.576    500.363   47.519    490.635   47.450    60.790  2.9184  60.190  2.9432  0.5994949      4.144814 
1 1 1 -1  25  6  o 55.054  2.0623  412.181   30.210    456.642   42.882    368.372   42.567    58.088  2.7562  52.021  3.0685  6.067036       4.124601 
1 1 1 -1  25  7  o 107.061 2.6175  1566.62   75.048    1534.47   106.054   1598.85   106.213   105.940 3.7375  108.182 3.6655  -2.241783      5.234954 
1 1 1 -1  25  8  o 48.447  4.5236  327.340   58.021    0.0000    0.0000    327.340   58.021    ?       ?       48.447  4.5236  ?              ?        
1 1 1 -1  25  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  25  10 o 27.330  2.2347  103.311   16.054    104.932   22.680    101.683   22.729    27.556  3.1283  27.104  3.1919  0.4519100      4.469320 
1 1 1 -1  25  11 o 38.052  2.1033  198.864   21.260    192.815   29.900    205.049   30.236    37.453  3.0059  38.650  2.9428  -1.196945      4.206597 
1 1 1 -1  25  12 o 78.133  2.3505  840.274   49.189    851.619   69.731    829.037   69.398    78.667  3.3093  77.598  3.3389  1.068718       4.701085 
1 1 1 -1  25  13 o 10.384  2.7682  11.488    10.534    9.0887    15.479    13.558    14.377    10.069  3.9448  10.698  3.8847  -0.6288214     5.536469 
1 1 1 -1  25  14 o 28.740  2.3881  116.070   17.997    123.877   25.574    108.411   25.331    29.753  3.2626  27.727  3.4881  2.025967       4.776104 
1 1 1 -1  25  15 o 11.822  2.9673  17.902    11.785    18.126    16.446    17.665    16.897    11.838  4.1716  11.806  4.2211  0.3144932E-01  5.934638 
1 1 1 -1  25  16 o 16.774  3.0233  41.817    13.604    42.319    19.880    41.375    18.656    16.847  4.3689  16.702  4.1802  0.1447334      6.046565 
1 1 1 -1  25  17 o 34.903  2.3418  171.854   21.609    181.651   30.884    162.458   30.246    35.920  3.2451  33.887  3.3773  2.033028       4.683677 
1 1 1 -1  25  18 o 31.318  2.4766  140.136   20.270    122.933   28.515    157.709   28.820    29.228  3.7272  33.408  3.2623  -4.180071      4.953219 
1 1 1 -1  25  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  25  20 o 18.818  3.1361  53.911    15.535    55.978    22.548    52.043    21.434    19.149  4.4765  18.488  4.3932  0.6605377      6.272104 
1 1 1 -1  25  21 o 11.426  3.0133  15.251    13.006    4.3438    19.152    24.585    17.718    9.8753  4.1835  12.977  4.3380  -3.102002      6.026609 
1 1 1 -1  26  1  f 48.634  1.9589  320.676   25.390    302.956   35.502    339.228   36.325    47.244  2.8184  50.023  2.7213  -2.779381      3.917794 
1 1 1 -1  26  2  o 72.426  2.1468  711.213   41.635    719.880   58.481    702.304   59.289    72.885  2.9957  71.967  3.0758  0.9180984      4.293527 
1 1 1 -1  26  3  o 72.976  2.1767  722.573   42.545    713.916   59.741    731.482   60.603    72.534  3.0750  73.419  3.0818  -0.8847809     4.353469 
1 1 1 -1  26  4  o 59.901  2.0448  486.473   32.801    473.551   46.155    499.660   46.625    59.091  2.9162  60.711  2.8672  -1.619728      4.089615 
1 1 1 -1  26  5  o 9.0828  2.5565  5.6684    9.3983    8.9807    13.514    2.5660    13.079    9.7123  3.7177  8.4533  3.5103  1.258968       5.113068 
1 1 1 -1  26  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  26  7  o 33.464  2.0862  153.656   18.487    161.676   26.183    145.682   26.107    34.362  2.8710  32.566  3.0277  1.796509       4.172474 
1 1 1 -1  26  8  o 28.156  2.1776  109.507   16.144    109.919   22.464    109.067   23.216    28.229  3.0178  28.084  3.1401  0.1441498      4.355123 
1 1 1 -1  26  9  o 37.331  2.1460  192.724   21.034    161.016   29.566    225.217   29.930    34.105  3.2769  40.557  2.7718  -6.452274      4.291982 
1 1 1 -1  26  10 o 13.559  2.8803  24.810    11.968    12.771    16.608    37.817    17.262    10.955  4.1384  16.163  4.0072  -5.207900      5.760592 
1 1 1 -1  26  11 o 23.604  2.5436  79.627    15.346    64.692    21.726    94.497    21.679    21.197  3.9727  26.011  3.1778  -4.813725      5.087257 
1 1 1 -1  26  12 o 9.5763  2.6892  7.5483    10.302    8.5292    14.152    6.4426    15.025    9.6590  3.7753  9.4936  3.8307  0.1653929      5.378401 
1 1 1 -1  26  13 o 30.704  2.3463  132.644   18.966    138.923   26.797    126.342   26.847    31.480  3.2236  29.928  3.4100  1.552261       4.692504 
1 1 1 -1  26  14 o 27.986  2.5413  112.331   18.256    89.992    25.592    135.472   26.048    24.916  3.9679  31.056  3.1761  -6.140425      5.082518 
1 1 1 -1  26  15 o 30.233  2.4338  130.292   19.142    150.348   27.223    110.677   26.922    32.706  3.1464  27.759  3.7139  4.947073       4.867529 
1 1 1 -1  26  16 o 24.841  2.6830  89.393    17.283    90.953    24.685    87.893    24.207    25.056  3.7971  24.626  3.7916  0.4301090      5.366009 
1 1 1 -1  26  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  26  18 o 22.501  2.9918  75.895    17.340    69.188    24.729    82.383    24.321    21.371  4.4641  23.631  3.9843  -2.260174      5.983545 
1 1 1 -1  26  19 o 7.9352  2.5417  -10.2297  12.051    1.4957    17.217    -21.4919  16.874    9.1095  3.9157  6.7609  3.2416  2.348574       5.083362 
1 1 1 -1  26  20 o 28.062  2.6320  116.345   19.292    117.465   27.571    115.272   27.005    28.180  3.7455  27.944  3.6989  0.2358265      5.264075 
1 1 1 -1  27  1  o 14.672  2.7518  30.482    11.291    39.872    15.920    20.980    16.015    16.771  3.6480  12.574  4.1209  4.197267       5.503589 
1 1 1 -1  27  2  o 42.795  2.0028  249.496   22.825    243.908   32.066    255.235   32.497    42.304  2.8465  43.286  2.8183  -0.9823914     4.005623 
1 1 1 -1  27  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  27  4  o 118.320 4.1850  2012.44   131.411   1852.75   191.497   2154.57   180.663   113.249 6.3385  123.392 5.4663  -10.14347      8.369994 
1 1 1 -1  27  5  o 14.643  2.7390  30.652    11.283    40.996    15.830    19.971    16.086    16.968  3.5949  12.318  4.1333  4.649737       5.477921 
1 1 1 -1  27  6  o 59.897  2.1171  490.801   33.905    493.907   47.736    487.639   48.166    60.136  2.9636  59.658  3.0242  0.4780121      4.234214 
1 1 1 -1  27  7  o 17.842  2.7182  45.886    12.616    50.544    17.715    41.093    17.970    18.826  3.6448  16.859  4.0337  1.967396       5.436435 
1 1 1 -1  27  8  o 45.823  2.1534  289.623   26.252    304.516   37.172    274.804   37.080    47.037  2.9656  44.609  3.1231  2.428619       4.306801 
1 1 1 -1  27  9  o 25.417  2.4062  91.051    15.901    82.197    22.376    100.084   22.601    24.084  3.5773  26.749  3.2191  -2.665239      4.812440 
1 1 1 -1  27  10 o 16.630  2.7690  39.774    13.026    17.652    17.925    64.528    18.962    11.965  4.3387  21.295  3.4417  -9.330621      5.538031 
1 1 1 -1  27  11 o 22.356  2.6726  72.326    15.345    62.163    21.658    82.571    21.745    20.621  4.0657  24.091  3.4699  -3.470325      5.345137 
1 1 1 -1  27  12 o 17.537  2.8601  45.115    13.880    70.108    20.206    22.790    19.098    22.107  3.5314  12.966  4.5000  9.140381       5.720163 
1 1 1 -1  27  13 o 23.686  2.6823  81.434    16.396    87.759    23.068    74.977    23.308    24.726  3.5879  22.646  3.9882  2.079943       5.364579 
1 1 1 -1  27  14 o 24.600  2.6046  87.350    16.632    85.665    23.337    89.088    23.709    24.350  3.6941  24.850  3.6727  -0.5000534     5.209159 
1 1 1 -1  27  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  27  16 o 18.852  3.1694  54.102    15.772    56.456    22.485    51.821    22.130    19.278  4.4455  18.425  4.5186  0.8520813      6.338811 
1 1 1 -1  27  17 o 22.014  2.9487  72.968    16.733    68.333    23.901    77.423    23.433    21.208  4.3534  22.820  3.9784  -1.611837      5.897404 
1 1 1 -1  27  18 o 6.6644  2.2112  -15.6130  10.432    -4.8852   13.931    -29.3120  15.742    7.4251  3.3406  5.9038  2.8978  1.521298       4.422322 
1 1 1 -1  28  1  o 29.916  2.1427  123.195   16.832    107.794   23.428    139.626   24.199    27.921  3.1899  31.910  2.8617  -3.988869      4.285439 
1 1 1 -1  28  2  o 19.307  2.6156  52.969    13.031    55.889    18.493    50.088    18.366    19.872  3.6072  18.743  3.7887  1.129271       5.231301 
1 1 1 -1  28  3  o 67.611  2.1612  625.152   39.136    617.704   54.911    632.840   55.792    67.204  3.0505  68.017  3.0624  -0.8129120     4.322499 
1 1 1 -1  28  4  o 33.915  2.1359  158.906   19.142    171.962   27.098    145.899   27.045    35.361  2.8862  32.470  3.1493  2.891106       4.271799 
1 1 1 -1  28  5  o 48.265  2.0879  320.352   26.860    315.625   37.786    325.180   38.189    47.901  2.9596  48.629  2.9458  -0.7280464     4.175754 
1 1 1 -1  28  6  o 20.792  2.6161  62.586    13.904    51.811    20.101    72.470    19.253    18.881  4.0929  22.703  3.2596  -3.822126      5.232234 
1 1 1 -1  28  7  o 27.585  2.2932  106.589   16.521    120.411   23.759    93.649    22.988    29.402  3.0618  25.768  3.4148  3.633915       4.586443 
1 1 1 -1  28  8  o 8.7011  2.4758  -2.2497   10.269    -19.3068  14.310    15.856    14.743    6.2350  2.9883  11.167  3.9482  -4.932153      4.951624 
1 1 1 -1  28  9  o 17.281  2.8941  43.830    13.487    29.638    18.600    59.566    19.585    14.282  4.4148  20.279  3.7436  -5.997103      5.788293 
1 1 1 -1  28  10 o 14.058  2.9508  28.820    12.174    36.019    17.042    21.318    17.398    15.602  4.0446  12.515  4.2977  3.087110       5.901652 
1 1 1 -1  28  11 f 18.793  2.9698  52.671    14.594    57.951    20.566    47.317    20.712    19.831  4.0096  17.755  4.3819  2.076317       5.939511 
1 1 1 -1  28  12 o 36.380  2.3370  187.205   22.496    177.588   31.787    196.855   31.842    35.385  3.3956  37.376  3.2119  -1.991035      4.674022 
1 1 1 -1  28  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  28  14 o 46.364  2.3601  305.082   29.001    338.414   41.568    273.468   40.482    48.956  3.1874  43.772  3.4816  5.184177       4.720244 
1 1 1 -1  28  15 o 20.720  3.1240  65.600    16.806    68.811    23.480    62.226    24.067    21.339  4.2573  20.101  4.5731  1.237789       6.248050 
1 1 1 -1  28  16 o 15.545  3.1646  36.367    14.800    54.567    21.425    19.756    20.468    18.799  4.3425  12.291  4.6045  6.508112       6.329189 
1 1 1 -1  29  1  o 21.784  2.5182  67.566    14.091    75.555    19.693    59.185    20.170    23.231  3.2542  20.337  3.8438  2.893936       5.036327 
1 1 1 -1  29  2  o 31.912  2.2427  142.607   18.646    165.684   26.222    119.002   26.520    34.678  2.8483  29.145  3.4650  5.532175       4.485383 
1 1 1 -1  29  3  o 18.213  2.8542  48.385    13.565    52.363    18.885    44.144    19.498    19.055  3.8329  17.370  4.2302  1.684982       5.708414 
1 1 1 -1  29  4  o 52.319  2.1161  378.164   29.527    372.415   41.394    384.119   42.132    51.914  2.9895  52.723  2.9958  -0.8084946     4.232272 
1 1 1 -1  29  5  f 24.465  2.3671  84.611    15.103    83.001    21.215    86.266    21.505    24.221  3.3607  24.710  3.3344  -0.4891052     4.734203 
1 1 1 -1  29  6  o 31.551  2.2617  140.272   18.715    155.499   26.285    124.615   26.653    33.408  2.9683  29.693  3.4133  3.715546       4.523457 
1 1 1 -1  29  7  o 31.504  2.3010  139.829   19.133    141.003   26.892    138.625   27.229    31.657  3.2161  31.351  3.2917  0.3055286      4.602026 
1 1 1 -1  29  8  o 31.755  2.2737  142.200   19.059    139.989   27.291    144.305   26.627    31.477  3.2853  32.032  3.1440  -0.5547905     4.547328 
1 1 1 -1  29  9  o 28.660  2.5288  118.315   18.560    92.641    25.938    145.256   26.569    25.201  3.9743  32.120  3.1280  -6.918839      5.057619 
1 1 1 -1  29  10 o 13.665  3.1030  27.134    12.928    29.757    17.751    24.171    18.865    14.195  4.2988  13.135  4.4759  1.060466       6.205899 
1 1 1 -1  29  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  29  12 o 42.250  2.3220  253.340   26.064    245.286   36.540    261.683   37.187    41.544  3.3113  42.957  3.2562  -1.413345      4.644096 
1 1 1 -1  29  13 o 15.850  3.2213  38.477    14.987    51.467    21.101    25.255    21.289    18.332  4.3609  13.367  4.7424  4.964608       6.442645 
1 1 1 -1  29  14 o 11.672  3.1272  15.985    13.675    8.7808    18.779    24.121    19.955    10.367  4.2454  12.978  4.5928  -2.611622      6.254371 
1 1 1 -1  30  1  o 17.088  2.8509  42.759    12.936    34.371    18.106    51.506    18.488    15.315  4.2591  18.862  3.7910  -3.546548      5.701896 
1 1 1 -1  30  2  o 40.768  2.1083  230.728   22.859    226.153   32.028    235.478   32.636    40.353  2.9845  41.183  2.9787  -0.8306313     4.216583 
1 1 1 -1  30  3  o 19.214  2.8084  53.978    13.983    45.965    19.382    62.676    20.193    17.624  4.1708  20.804  3.7622  -3.180460      5.616898 
1 1 1 -1  30  4  o 27.210  2.3807  104.874   16.965    99.646    23.509    110.554   24.506    26.483  3.3921  27.936  3.3414  -1.453178      4.761408 
1 1 1 -1  30  5  o 45.529  2.1953  290.187   26.600    293.637   37.234    286.591   38.013    45.841  3.0499  45.217  3.1585  0.6233635      4.390683 
1 1 1 -1  30  6  o 16.829  3.0203  42.438    13.789    51.198    19.638    33.919    19.365    18.577  4.0601  15.082  4.4727  3.495248       6.040696 
1 1 1 -1  30  7  o 34.407  2.2731  167.057   20.641    151.337   28.753    183.771   29.648    32.660  3.3335  36.154  3.0913  -3.493839      4.546297 
1 1 1 -1  30  8  o 14.805  3.9034  17.596    16.472    58.693    40.735    9.5620    18.010    19.118  6.5757  10.493  4.2081  8.624407       7.806891 
1 1 1 -1  30  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  30  10 o 14.139  2.8289  27.214    13.046    4.5768    18.208    51.100    18.703    9.7617  4.1040  18.516  3.8947  -8.754099      5.657879 
1 1 1 -1  30  11 o 23.702  2.8406  83.923    17.254    69.151    23.985    99.765    24.839    21.291  4.3526  26.114  3.6510  -4.822527      5.681118 
1 1 1 -1  30  12 o 17.374  3.1814  47.454    14.933    49.850    20.499    44.745    21.797    17.926  4.3202  16.823  4.6713  1.103039       6.362813 
1 1 1 -1  31  1  o 10.583  2.7661  11.503    11.355    21.860    14.923    -2.7409   17.500    12.412  3.9708  8.7531  3.8519  3.658879       5.532130 
1 1 1 -1  31  2  o 24.388  2.5276  85.713    15.977    89.193    22.169    81.954    23.046    24.990  3.4003  23.787  3.7407  1.203474       5.055201 
1 1 1 -1  31  3  o 23.845  2.6209  82.300    16.119    72.214    22.391    93.151    23.224    22.205  3.9073  25.485  3.4942  -3.279583      5.241851 
1 1 1 -1  31  4  o 14.811  3.1101  32.353    13.252    27.685    17.942    37.958    19.659    13.758  4.3490  15.864  4.4473  -2.105720      6.220282 
1 1 1 -1  31  5  o 17.334  3.1054  45.392    14.410    44.161    19.720    46.801    21.110    17.109  4.3063  17.559  4.4753  -0.4490814     6.210701 
1 1 1 -1  31  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  31  7  f 9.8783  2.8092  8.2180    11.414    10.208    15.808    6.0503    16.498    10.141  3.9824  9.6152  3.9633  0.5261469      5.618468 
1 1 1 -1  31  8  o 10.232  2.6015  0.7314    11.681    -24.4782  15.892    30.365    17.230    6.2731  3.0417  14.191  4.2212  -7.918171      5.202977 
1 1 1 -1  31  9  o 21.474  2.9999  70.527    16.620    56.387    23.264    85.264    23.751    18.985  4.6189  23.963  3.8294  -4.977365      5.999887 
1 1 1 -1  31  10 o 22.504  2.9885  78.098    17.219    56.501    23.858    101.578   24.876    18.811  4.7378  26.197  3.6438  -7.386736      5.976967 
1 1 1 -1  32  1  o 23.323  2.8465  82.457    16.694    105.421   23.195    57.776    24.046    27.215  3.2460  19.430  4.6768  7.785044       5.692901 
1 1 1 -1  32  2  o 18.136  3.0023  49.272    14.576    34.860    20.039    65.463    21.240    15.204  4.5592  21.069  3.9077  -5.865088      6.004655 
1 1 1 -1  32  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 -1  32  4  o 24.518  2.6994  88.061    16.918    70.154    23.283    108.089   24.624    21.636  4.1689  27.401  3.4302  -5.765442      5.398747 
1 1 1 -1  32  5  o 26.203  2.6193  100.420   17.851    99.831    24.662    101.069   25.873    26.173  3.6143  26.234  3.7921  -0.6065178E-01 5.238594 
1 1 1 -1  32  6  f 18.290  3.1733  51.704    15.424    47.003    21.106    57.092    22.596    17.383  4.4983  19.196  4.4770  -1.812241      6.346546 
1 1 1 -1  32  7  o 29.218  2.5977  125.868   19.864    120.041   27.881    131.874   28.307    28.472  3.7471  29.965  3.5989  -1.492962      5.195420 
1 1 1 -1  33  1  o 13.342  3.1179  22.570    13.919    7.6797    18.541    41.794    21.068    10.237  4.2084  16.447  4.6016  -6.209971      6.235775 
1 1 1 -1  33  2  o 36.395  2.3375  190.047   22.504    194.968   31.323    184.796   32.352    36.963  3.1952  35.827  3.4126  1.136162       4.674962 
1 1 1 -1  33  3  o 14.373  3.1407  31.764    13.777    40.203    18.639    21.603    20.453    16.149  4.2509  12.597  4.6244  3.552015       6.281342 
1 1 1 -1  33  4  o 15.110  3.2072  36.075    14.536    45.444    19.614    24.660    21.651    17.087  4.2915  13.133  4.7674  3.954241       6.414423 
1 1 1 -1  34  1  o 23.681  2.8417  84.468    17.180    65.743    23.299    106.780   25.432    20.523  4.3723  26.839  3.6309  -6.316399      5.683371 
1 1 1 0   -36 8  o 6.4912  2.2168  -21.6058  11.491    -40.8063  20.441    -12.7344  13.894    6.4633  3.1969  6.5190  3.0718  -0.5569029E-01 4.433565 
1 1 1 0   -36 9  o 25.920  2.8287  104.574   18.509    89.276    27.903    116.595   24.734    23.699  4.5611  28.141  3.3471  -4.441740      5.657460 
1 1 1 0   -36 10 o 30.656  2.7143  143.268   21.330    123.354   31.439    160.252   29.035    28.223  4.2944  33.089  3.3208  -4.866589      5.428579 
1 1 1 0   -36 11 o 10.646  3.0940  6.1695    14.422    22.109    22.723    -4.5818   18.662    12.688  4.8293  8.6033  3.8690  4.084481       6.187966 
1 1 1 0   -36 12 o 22.068  3.1618  75.740    18.005    91.689    26.980    62.933    24.177    24.311  4.3008  19.825  4.6358  4.485641       6.323579 
1 1 1 0   -36 13 o 21.396  3.2232  71.506    17.904    89.238    26.908    57.418    23.984    23.945  4.3559  18.848  4.7521  5.096745       6.446434 
1 1 1 0   -36 14 o 11.573  3.1533  16.897    13.686    14.173    21.999    18.618    17.481    11.491  4.6358  11.655  4.2758  -0.1640396     6.306549 
1 1 1 0   -36 15 o 11.445  3.0879  16.747    13.302    8.7515    21.984    21.364    16.707    10.781  4.5199  12.109  4.2085  -1.328074      6.175791 
1 1 1 0   -36 16 o 16.441  3.4033  44.754    16.418    32.842    24.974    53.821    21.788    14.481  5.1366  18.400  4.4660  -3.919703      6.806592 
1 1 1 0   -36 17 o 9.9447  2.9428  3.4661    14.328    -16.9561  22.697    16.996    18.474    8.4300  3.9578  11.460  4.3561  -3.029516      5.885568 
1 1 1 0   -36 18 o 42.685  2.4455  267.821   27.675    284.910   39.342    251.080   38.939    44.153  3.3517  41.217  3.5621  2.936161       4.891042 
1 1 1 0   -36 19 o 12.509  3.1920  17.035    16.305    -11.5211  24.038    41.369    22.190    9.1024  4.2052  15.916  4.8033  -6.813413      6.384019 
1 1 1 0   -36 20 o 13.936  3.4911  29.612    16.348    37.766    24.527    23.093    21.930    15.169  5.1039  12.702  4.7646  2.466590       6.982201 
1 1 1 0   -36 21 f 15.488  3.3792  39.858    16.730    20.236    25.328    55.045    22.283    12.543  5.0041  18.434  4.5424  -5.890727      6.758327 
1 1 1 0   -36 22 o 28.803  3.1549  130.779   23.389    152.585   34.318    111.866   31.961    31.309  4.1979  26.296  4.7108  5.013483       6.309842 
1 1 1 0   -36 23 o 9.3881  3.0112  -7.9878   16.226    6.2916    25.486    -17.7211  21.041    10.856  4.7151  7.9201  3.7466  2.936152       6.022385 
1 1 1 0   -36 24 o 12.708  3.5549  21.241    18.041    32.322    27.181    12.515    24.119    14.111  5.3021  11.305  4.7367  2.805488       7.109798 
1 1 1 0   -36 25 o 10.419  3.2374  4.1173    17.209    6.8823    26.585    2.1231    22.578    10.956  4.7862  9.8816  4.3606  1.074552       6.474729 
1 1 1 0   -36 26 o 13.295  3.4294  26.275    18.295    -2.4612   28.512    46.387    23.853    10.331  4.7002  16.260  4.9951  -5.928602      6.858737 
1 1 1 0   -36 27 o 15.282  3.6532  37.367    19.935    69.629    29.533    10.365    27.018    19.375  5.4578  11.190  4.8574  8.184976       7.306321 
1 1 1 0   -36 28 o 18.773  3.7628  65.722    21.421    95.937    30.973    38.016    29.659    23.157  5.1287  14.388  5.5074  8.769881       7.525599 
1 1 1 0   -35 3  o 30.882  2.5363  141.292   20.527    143.239   30.248    139.630   27.948    30.970  3.7210  30.794  3.4476  0.1758556      5.072597 
1 1 1 0   -35 4  o 22.494  3.0050  77.671    17.387    84.303    25.902    72.232    23.457    23.348  4.3003  21.640  4.1984  1.707647       6.009948 
1 1 1 0   -35 5  o 6.9972  2.3218  -13.5602  10.366    -6.6949   17.478    -17.2853  12.874    8.1485  3.6967  5.8459  2.8104  2.302657       4.643675 
1 1 1 0   -35 6  o 38.714  2.3779  216.859   24.373    217.594   35.479    216.203   33.540    38.693  3.4598  38.735  3.2632  -0.4137421E-01 4.755865 
1 1 1 0   -35 7  o 5.5030  1.9380  -28.1431  9.7860    -50.9208  20.085    -21.0526  11.206    5.9977  2.9991  5.0082  2.4555  0.9894776      3.876087 
1 1 1 0   -35 8  o 18.871  3.2133  54.077    16.103    71.388    24.750    41.371    21.205    21.504  4.4438  16.237  4.6425  5.267197       6.426538 
1 1 1 0   -35 9  o 19.907  3.1334  59.752    16.803    92.552    25.416    34.285    22.395    24.907  3.9410  14.907  4.8726  9.999491       6.266855 
1 1 1 0   -35 10 o 25.755  2.7586  99.198    18.230    92.559    27.153    104.646   24.598    24.720  4.2544  26.789  3.5128  -2.069185      5.517197 
1 1 1 0   -35 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -35 25 o 31.762  2.9437  154.649   24.332    173.200   35.459    138.141   33.451    33.720  4.0042  29.803  4.3160  3.917076       5.887387 
1 1 1 0   -35 26 o 34.328  2.7877  179.576   24.815    212.130   35.755    149.324   34.467    37.705  3.5834  30.951  4.2714  6.754076       5.575427 
1 1 1 0   -35 27 o 15.883  3.8265  42.380    19.644    54.687    29.416    32.473    26.391    17.552  5.5708  14.214  5.2473  3.337711       7.653016 
1 1 1 0   -35 28 o 13.476  3.5920  27.881    18.092    18.335    26.255    36.513    24.965    12.232  5.0158  14.720  5.1429  -2.488105      7.183908 
1 1 1 0   -35 29 o 15.732  3.6923  43.867    19.015    29.114    28.240    56.101    25.718    13.593  5.3275  17.871  5.1138  -4.277841      7.384659 
1 1 1 0   -35 30 o 38.628  2.7752  233.953   28.217    255.378   40.399    213.544   39.429    40.591  3.7584  36.665  4.0843  3.926220       5.550434 
1 1 1 0   -35 31 o 11.402  3.4238  12.783    18.359    24.448    27.358    3.2256    24.763    12.669  5.1488  10.135  4.5145  2.533877       6.847691 
1 1 1 0   -35 32 o 19.871  3.8273  77.781    22.019    54.636    31.991    98.615    30.352    16.282  5.8096  23.460  4.9840  -7.178045      7.654517 
1 1 1 0   -34 1  o 21.474  3.0179  71.141    16.701    62.733    24.204    78.783    23.075    20.007  4.6112  22.941  3.8945  -2.934265      6.035758 
1 1 1 0   -34 2  o 32.264  2.4318  150.691   20.632    150.174   30.239    151.141   28.221    32.116  3.5759  32.412  3.2966  -0.2955933     4.863598 
1 1 1 0   -34 3  o 10.997  2.9500  12.965    12.869    -1.7452   20.179    23.050    16.709    9.3758  4.1307  12.618  4.2127  -3.242476      5.899964 
1 1 1 0   -34 4  o 29.923  2.4654  129.902   19.272    122.430   28.109    136.531   26.475    28.958  3.7092  30.887  3.2488  -1.929577      4.930793 
1 1 1 0   -34 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -34 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -34 7  o 23.674  3.0313  91.134    17.907    43.943    26.189    132.573   24.541    16.753  5.2484  30.594  3.0348  -13.84073      6.062666 
1 1 1 0   -34 8  o 24.948  2.7630  91.951    17.673    89.501    26.694    93.863    23.582    24.459  4.2274  25.436  3.5587  -0.9768829     5.525919 
1 1 1 0   -34 9  o 31.179  2.5120  139.850   20.260    171.332   29.616    112.156   27.777    34.695  3.2238  27.664  3.8533  7.030689       5.024005 
1 1 1 0   -34 10 o 43.385  2.2506  265.997   25.887    296.111   37.716    239.176   35.595    45.774  3.0944  40.996  3.2688  4.778576       4.501168 
1 1 1 0   -34 11 o 10.825  3.0514  11.304    13.293    6.6843    21.037    14.375    17.150    10.584  4.4282  11.065  4.1994  -0.4817791     6.102789 
1 1 1 0   -34 12 o 27.294  2.5667  107.776   18.240    119.455   26.760    97.642    24.927    28.730  3.5533  25.858  3.7049  2.872227       5.133469 
1 1 1 0   -34 13 o 26.307  2.7566  102.095   18.784    98.115    27.161    105.744   26.005    25.696  4.0830  26.919  3.7048  -1.223196      5.513288 
1 1 1 0   -34 14 o 35.273  2.4320  178.218   22.584    200.522   32.828    158.177   31.118    37.468  3.3050  33.079  3.5687  4.389038       4.863980 
1 1 1 0   -34 15 o 26.988  2.7797  107.192   19.348    124.714   28.105    91.407    26.675    29.268  3.6655  24.708  4.1798  4.560053       5.559356 
1 1 1 0   -34 16 o 13.486  3.2336  25.956    13.802    31.062    21.330    22.277    18.103    14.388  4.7578  12.584  4.3804  1.803945       6.467207 
1 1 1 0   -34 17 o 17.563  3.2795  47.605    15.627    53.671    23.279    42.630    21.084    18.550  4.6842  16.576  4.5912  1.974655       6.559051 
1 1 1 0   -34 18 o 44.005  2.3506  278.573   27.200    321.688   38.531    235.748   38.402    47.667  3.0337  40.343  3.5914  7.324219       4.701183 
1 1 1 0   -34 19 o 29.519  2.6569  128.417   20.363    113.456   28.906    143.156   28.691    27.598  4.0292  31.441  3.4644  -3.842918      5.313803 
1 1 1 0   -34 20 o 43.318  2.3763  269.878   27.356    269.565   38.734    270.190   38.640    43.287  3.3672  43.349  3.3539  -0.6193161E-01 4.752602 
1 1 1 0   -34 21 o 18.675  3.5805  55.745    18.371    62.975    27.016    49.526    25.055    19.788  5.0733  17.562  5.0540  2.226006       7.161045 
1 1 1 0   -34 22 o 32.295  2.7507  154.438   23.226    171.039   33.591    139.231   32.150    34.085  3.7408  30.505  4.0338  3.580673       5.501331 
1 1 1 0   -34 23 o 33.550  2.6120  165.745   23.080    169.601   32.878    162.000   32.407    33.954  3.6738  33.146  3.7141  0.8074188      5.224052 
1 1 1 0   -34 24 o 25.816  3.1983  110.872   20.399    53.886    29.418    163.654   28.312    17.936  5.5534  33.696  3.1743  -15.75958      6.396637 
1 1 1 0   -34 25 o 7.9451  2.6596  -20.3569  15.172    -30.0768  23.028    -12.9009  20.168    7.6777  3.7074  8.2126  3.8143  -0.5348611     5.319221 
1 1 1 0   -34 26 o 9.2056  2.9650  -7.9827   16.014    -4.7855   23.884    -10.5943  21.586    9.6978  4.3676  8.7134  4.0110  0.9843950      5.929930 
1 1 1 0   -34 27 o 10.225  3.1617  2.2263    16.304    1.5993    24.977    2.6919    21.523    10.472  4.6051  9.9783  4.3334  0.4935760      6.323430 
1 1 1 0   -34 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -34 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -34 30 o 34.104  2.8467  178.802   25.335    203.756   36.857    156.450   34.883    36.589  3.8170  31.620  4.2244  4.969046       5.693449 
1 1 1 0   -34 31 o 24.405  3.4489  99.722    21.706    94.592    31.643    104.282   29.831    23.492  5.1691  25.317  4.5672  -1.824749      6.897763 
1 1 1 0   -34 32 o 12.928  3.6053  24.789    18.267    29.278    27.714    21.341    24.291    13.546  5.2862  12.310  4.9038  1.236140       7.210538 
1 1 1 0   -34 33 o 21.204  3.6424  83.056    21.074    60.455    31.364    101.659   28.455    17.632  5.7664  24.775  4.4517  -7.142401      7.284822 
1 1 1 0   -34 34 o 14.246  3.7880  37.532    20.024    28.705    29.948    44.669    26.929    13.158  5.3718  15.334  5.3423  -2.176176      7.576062 
1 1 1 0   -34 35 o 20.680  3.9184  85.344    22.316    77.054    32.775    92.508    30.470    19.180  5.8486  22.180  5.2164  -3.000221      7.836877 
1 1 1 0   -33 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -33 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -33 3  f 10.971  3.0139  10.093    12.869    22.436    20.249    1.7293    16.668    12.883  4.6193  9.0601  3.8724  3.822595       6.027723 
1 1 1 0   -33 4  o 31.754  2.3426  144.510   19.456    131.331   28.326    156.282   26.771    30.213  3.5692  33.295  3.0353  -3.081837      4.685292 
1 1 1 0   -33 5  o 29.385  2.4646  123.271   18.686    152.454   27.435    98.017    25.521    32.820  3.1599  25.949  3.7832  6.870913       4.929223 
1 1 1 0   -33 6  o 16.640  2.7173  36.788    13.906    78.572    21.237    5.4219    18.400    23.326  3.5076  9.9539  4.1510  13.37230       5.434538 
1 1 1 0   -33 7  o 44.058  2.2176  273.106   25.982    280.684   37.562    266.154   35.978    44.627  3.1629  43.488  3.1092  1.138996       4.435167 
1 1 1 0   -33 8  o 15.592  2.6243  36.267    13.780    -4.7544   20.731    68.741    18.445    9.2682  4.1293  21.916  3.2397  -12.64814      5.248535 
1 1 1 0   -33 9  o 22.864  2.7882  78.119    16.201    64.954    23.905    89.302    22.033    20.758  4.4343  24.970  3.3813  -4.212078      5.576381 
1 1 1 0   -33 10 o 30.563  2.3903  132.490   19.188    145.410   28.182    121.325   26.200    31.981  3.3392  29.145  3.4212  2.835848       4.780694 
1 1 1 0   -33 11 o 40.171  2.2519  228.055   23.959    214.016   34.334    241.379   33.448    38.863  3.3305  41.479  3.0316  -2.615448      4.503713 
1 1 1 0   -33 12 o 29.474  2.5844  126.706   19.498    102.191   27.990    149.819   27.178    26.377  4.0944  32.571  3.1548  -6.193335      5.168846 
1 1 1 0   -33 13 o 37.628  2.2975  199.877   22.817    225.472   32.944    176.279   31.632    40.045  3.0954  35.211  3.3960  4.833458       4.595065 
1 1 1 0   -33 14 o 61.106  2.2239  524.418   36.178    578.810   51.491    471.387   50.842    64.414  2.9844  57.797  3.2979  6.617214       4.447787 
1 1 1 0   -33 15 o 56.326  2.1971  445.354   33.011    457.891   46.887    433.031   46.485    57.141  3.0748  55.511  3.1392  1.629330       4.394207 
1 1 1 0   -33 16 o 10.618  2.8076  -1.4408   13.110    31.834    20.235    -25.5140  17.211    14.629  4.6180  6.6079  3.1944  8.021074       5.615142 
1 1 1 0   -33 17 o 12.192  3.1677  18.582    13.956    9.9907    20.937    25.450    18.721    11.059  4.5005  13.325  4.4592  -2.266120      6.335477 
1 1 1 0   -33 18 o 14.216  3.1474  29.851    14.067    16.600    20.884    40.859    19.034    11.999  4.6147  16.433  4.2814  -4.433659      6.294863 
1 1 1 0   -33 19 o 17.526  3.3281  47.855    16.034    41.461    24.090    52.940    21.485    16.387  5.0175  18.666  4.3736  -2.279888      6.656135 
1 1 1 0   -33 20 o 48.344  2.2643  331.665   29.046    361.494   41.048    301.750   41.107    50.664  3.0389  46.025  3.3577  4.638767       4.528681 
1 1 1 0   -33 21 o 14.211  3.1831  25.209    15.337    51.790    22.988    3.8874    20.589    18.275  4.6768  10.146  4.3193  8.129689       6.366193 
1 1 1 0   -33 22 o 28.706  2.6353  120.093   19.733    131.311   28.671    109.997   27.201    30.047  3.6366  27.365  3.8149  2.682211       5.270526 
1 1 1 0   -33 23 o 27.652  2.8297  113.559   20.322    120.269   28.954    107.044   28.531    28.541  3.8887  26.762  4.1117  1.778898       5.659315 
1 1 1 0   -33 24 o 27.599  2.9751  115.177   21.132    101.551   30.135    128.360   29.642    25.718  4.5406  29.480  3.8456  -3.761686      5.950260 
1 1 1 0   -33 25 o 48.364  2.3250  335.915   29.936    333.048   41.940    338.893   42.744    48.171  3.2699  48.557  3.3062  -0.3864174     4.650075 
1 1 1 0   -33 26 o 23.079  3.2511  83.057    19.385    89.462    27.921    77.096    26.935    24.023  4.5048  22.135  4.6889  1.887566       6.502245 
1 1 1 0   -33 27 o 10.918  3.0447  3.7841    15.779    -27.9472  23.601    29.433    21.219    7.9407  3.8143  13.894  4.7469  -5.953786      6.089467 
1 1 1 0   -33 28 f 45.431  2.4205  301.708   29.072    269.178   41.092    334.307   41.136    42.741  3.6236  48.120  3.2100  -5.379192      4.840936 
1 1 1 0   -33 29 o 11.903  3.3715  16.003    16.537    9.2374    24.606    21.576    22.333    11.227  4.7482  12.579  4.7877  -1.352238      6.742934 
1 1 1 0   -33 30 o 16.373  3.6984  44.735    18.281    46.819    26.790    42.919    25.009    16.667  5.3191  16.080  5.1400  0.5867920      7.396820 
1 1 1 0   -33 31 o 30.649  2.9481  144.370   22.912    185.612   33.608    108.556   31.319    35.266  3.6088  26.032  4.6629  9.233820       5.896299 
1 1 1 0   -33 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -33 33 o 14.696  3.7583  35.287    19.088    46.284    28.689    26.552    25.568    16.150  5.5195  13.242  5.1023  2.908536       7.516578 
1 1 1 0   -33 34 o 24.727  3.4424  102.503   21.951    123.433   32.232    84.399    29.977    27.468  4.5396  21.986  5.1762  5.481480       6.884806 
1 1 1 0   -33 35 o 16.495  3.8270  50.510    19.458    52.688    29.030    48.733    26.219    16.688  5.5522  16.301  5.2684  0.3862305      7.653912 
1 1 1 0   -33 36 o 8.2389  2.7642  -16.7669  16.290    -11.1972  24.352    -21.2776  21.915    8.8112  4.1249  7.6667  3.6807  1.144482       5.528330 
1 1 1 0   -33 37 o 14.703  3.2376  28.130    19.245    81.357    27.903    -20.1649  26.578    20.925  5.0386  8.4814  4.0670  12.44378       6.475206 
1 1 1 0   -32 1  o 21.807  2.8012  72.492    15.403    50.864    22.640    91.130    21.016    18.274  4.6223  25.340  3.1655  -7.066013      5.602310 
1 1 1 0   -32 2  o 33.013  2.3262  155.635   20.029    132.857   28.710    177.229   27.954    30.453  3.5887  35.574  2.9607  -5.120939      4.652373 
1 1 1 0   -32 3  o 41.269  2.2003  239.650   24.060    225.041   34.622    253.296   33.460    39.950  3.2641  42.589  2.9515  -2.638702      4.400610 
1 1 1 0   -32 4  o 57.021  2.1489  453.832   32.688    454.722   46.913    452.992   45.571    57.043  3.0819  56.999  2.9954  0.4341507E-01  4.297722 
1 1 1 0   -32 5  o 8.9287  2.5996  4.6106    10.033    -1.6965   16.547    8.2778    12.617    8.6389  3.7749  9.2185  3.5753  -0.5796032     5.199264 
1 1 1 0   -32 6  o 13.947  3.0834  28.317    12.771    26.483    19.324    29.739    17.017    13.662  4.5292  14.232  4.1853  -0.5698099     6.166876 
1 1 1 0   -32 7  o 30.790  2.3805  134.360   19.229    128.727   28.029    139.369   26.431    30.086  3.5463  31.494  3.1766  -1.408754      4.761020 
1 1 1 0   -32 8  o 52.752  2.1525  386.809   30.266    405.041   43.493    369.690   42.143    53.974  3.0206  51.529  3.0673  2.445629       4.304911 
1 1 1 0   -32 9  o 52.687  2.1055  385.510   29.574    377.602   42.234    393.118   41.427    52.116  3.0387  53.257  2.9152  -1.140537      4.210950 
1 1 1 0   -32 10 o 17.096  3.0235  43.616    13.777    40.266    20.826    46.224    18.372    16.441  4.5663  17.751  3.9643  -1.309723      6.047028 
1 1 1 0   -32 11 o 56.324  2.1362  439.960   32.081    464.778   45.945    416.348   44.815    57.908  2.9722  54.739  3.0690  3.168922       4.272305 
1 1 1 0   -32 12 o 8.8211  2.6462  -0.1601   11.446    -13.3652  18.032    8.7510    14.813    7.8329  3.6270  9.8092  3.8541  -1.976320      5.292375 
1 1 1 0   -32 13 o 16.648  3.0687  41.369    13.874    36.440    20.458    45.566    18.878    15.700  4.5810  17.595  4.0842  -1.895266      6.137303 
1 1 1 0   -32 14 o 10.032  2.4590  4.0405    11.147    -31.4974  17.792    27.004    14.302    6.4343  3.1418  13.630  3.7835  -7.195856      4.917941 
1 1 1 0   -32 15 o 13.116  3.1958  23.361    13.600    22.187    20.100    24.352    18.470    12.991  4.6081  13.240  4.4292  -0.2490091     6.391647 
1 1 1 0   -32 16 o 17.113  3.1422  44.527    15.374    24.841    22.590    61.511    20.982    13.684  4.8820  20.541  3.9572  -6.856310      6.284377 
1 1 1 0   -32 17 f 15.495  3.2020  35.616    14.457    26.182    20.969    44.163    19.958    13.760  4.7187  17.231  4.3297  -3.471003      6.404087 
1 1 1 0   -32 18 f 45.852  2.2023  293.435   26.885    297.505   38.080    289.391   37.962    46.181  3.0965  45.523  3.1324  0.6578598      4.404558 
1 1 1 0   -32 19 o 12.765  3.3208  19.931    14.923    25.239    22.320    15.640    20.067    13.681  4.8557  11.848  4.5314  1.832521       6.641603 
1 1 1 0   -32 20 o 18.742  3.1903  51.742    16.445    76.948    24.388    30.726    22.269    22.886  4.1306  14.597  4.8630  8.288048       6.380507 
1 1 1 0   -32 21 f 50.273  2.2049  353.827   29.529    338.826   41.381    369.391   42.150    49.155  3.1597  51.392  3.0762  -2.236328      4.409856 
1 1 1 0   -32 22 o 24.930  2.9078  91.423    18.735    90.157    26.673    92.655    26.321    24.722  4.1769  25.138  4.0466  -0.4157486     5.815639 
1 1 1 0   -32 23 o 34.268  2.4667  167.813   22.322    165.364   31.632    170.243   31.504    33.995  3.5252  34.542  3.4513  -0.5470772     4.933375 
1 1 1 0   -32 24 o 64.952  2.2833  595.466   39.640    600.167   55.474    590.562   56.665    65.305  3.1714  64.598  3.2858  0.7077026      4.566643 
1 1 1 0   -32 25 o 54.163  2.2368  415.196   32.293    428.924   45.673    401.473   45.666    55.113  3.1067  53.214  3.2190  1.898258       4.473638 
1 1 1 0   -32 26 o 22.615  3.1214  78.856    18.159    100.404   25.775    57.622    25.587    26.130  3.7936  19.100  4.9580  7.030193       6.242878 
1 1 1 0   -32 27 o 14.466  3.4482  31.448    16.042    24.695    22.842    38.019    22.535    13.327  4.8878  15.605  4.8652  -2.278351      6.896470 
1 1 1 0   -32 28 o 9.0285  2.8860  -8.7246   15.379    -22.6783  23.285    2.0705    20.481    8.2403  3.9107  9.8166  4.2452  -1.576346      5.771934 
1 1 1 0   -32 29 o 20.595  3.3796  66.009    18.392    87.519    28.000    49.685    24.393    23.667  4.5827  17.523  4.9686  6.143095       6.759279 
1 1 1 0   -32 30 o 27.202  2.9212  112.283   20.575    120.858   30.227    104.881   28.086    28.184  4.1264  26.221  4.1361  1.962761       5.842494 
1 1 1 0   -32 31 o 28.907  2.9385  127.890   22.085    130.927   31.897    125.094   30.609    29.204  4.1984  28.610  4.1125  0.5942230      5.877007 
1 1 1 0   -32 32 o 30.014  2.9327  137.088   22.338    178.294   33.177    102.922   30.211    34.585  3.6359  25.442  4.6026  9.142706       5.865467 
1 1 1 0   -32 33 o 13.767  3.4747  28.935    17.136    13.856    25.678    41.042    23.010    11.795  4.9101  15.739  4.9178  -3.943746      6.949346 
1 1 1 0   -32 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -32 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -32 36 o 11.578  3.3511  11.464    17.617    32.064    25.735    -6.7006   24.166    13.858  5.1686  9.2986  4.2669  4.559269       6.702295 
1 1 1 0   -32 37 o 10.532  3.2729  5.5959    18.040    -2.6148   25.804    13.446    25.230    9.7989  4.4632  11.265  4.7882  -1.465728      6.545745 
1 1 1 0   -32 38 o 13.817  3.7301  35.072    19.204    35.045    27.526    35.097    26.805    13.808  5.3010  13.825  5.2491  -0.1636982E-01 7.460117 
1 1 1 0   -32 39 o 12.604  3.5279  26.231    18.913    7.6381    27.241    43.535    26.279    10.486  4.6982  14.722  5.2641  -4.235131      7.055742 
1 1 1 0   -31 1  o 26.278  2.4008  97.894    16.493    101.854   23.807    94.239    22.870    26.797  3.3929  25.759  3.3976  1.037441       4.801667 
1 1 1 0   -31 2  o 23.127  2.5687  77.122    15.285    70.594    22.246    82.959    21.036    22.061  3.9077  24.192  3.3350  -2.131086      5.137404 
1 1 1 0   -31 3  o 17.471  2.8656  46.346    13.381    31.240    19.959    58.678    18.033    14.682  4.5790  20.260  3.4465  -5.577764      5.731125 
1 1 1 0   -31 4  o 26.491  2.4882  101.226   16.783    81.863    24.456    118.465   23.075    23.822  3.9726  29.160  2.9971  -5.337254      4.976341 
1 1 1 0   -31 5  o 12.592  2.9511  20.729    11.577    28.031    18.008    15.585    15.114    13.999  4.3467  11.185  3.9929  2.814471       5.902266 
1 1 1 0   -31 6  o 10.880  2.8808  12.566    11.245    17.356    17.432    9.1516    14.716    11.862  4.2821  9.8968  3.8549  1.965437       5.761640 
1 1 1 0   -31 7  o 50.089  2.0886  345.931   27.891    352.218   39.976    339.968   38.933    50.527  2.9669  49.651  2.9406  0.8764229      4.177266 
1 1 1 0   -31 8  o 61.160  2.1501  515.026   35.062    565.093   50.351    467.892   48.854    64.142  2.9307  58.178  3.1468  5.964127       4.300171 
1 1 1 0   -31 9  o 26.365  2.4709  97.401    16.973    106.483   25.009    89.644    23.111    27.525  3.4692  25.205  3.5193  2.320107       4.941719 
1 1 1 0   -31 10 o 52.737  2.0965  382.773   29.452    410.630   42.176    356.259   41.146    54.650  2.8916  50.825  3.0364  3.824810       4.192938 
1 1 1 0   -31 11 o 43.579  2.1361  262.448   24.731    246.238   35.127    278.379   34.824    42.190  3.1308  44.969  2.9067  -2.778927      4.272141 
1 1 1 0   -31 12 o 15.602  3.1615  35.657    14.121    27.553    20.940    42.417    19.125    14.152  4.7158  17.051  4.2121  -2.898865      6.323039 
1 1 1 0   -31 13 o 32.603  2.2866  148.477   19.461    174.090   27.749    123.682   27.302    35.509  2.9440  29.697  3.4995  5.812140       4.573149 
1 1 1 0   -31 14 o 36.734  2.2027  187.234   21.394    203.923   30.278    170.597   30.232    38.440  2.9637  35.029  3.2596  3.410545       4.405465 
1 1 1 0   -31 15 o 44.852  2.1362  277.885   25.472    294.854   36.001    260.874   36.045    46.274  2.9196  43.431  3.1193  2.843533       4.272480 
1 1 1 0   -31 16 o 24.083  2.6883  82.738    16.739    87.539    23.586    77.865    23.760    24.856  3.6517  23.310  3.9463  1.545355       5.376638 
1 1 1 0   -31 17 o 28.904  2.4849  118.112   18.434    145.303   26.466    92.494    25.689    32.346  3.0925  25.461  3.8903  6.885309       4.969711 
1 1 1 0   -31 18 o 14.158  3.3243  27.853    14.784    24.230    21.719    30.980    20.181    13.601  4.7939  14.715  4.6068  -1.114151      6.648590 
1 1 1 0   -31 19 o 67.612  2.1892  630.663   39.643    622.592   55.612    639.002   56.527    67.176  3.0908  68.048  3.1013  -0.8727493     4.378483 
1 1 1 0   -31 20 o 10.009  2.9705  2.8443    13.428    9.1153    20.441    -1.9162   17.810    11.022  4.4609  8.9947  3.9237  2.027616       5.940989 
1 1 1 0   -31 21 o 17.621  3.2802  46.235    15.695    47.532    22.215    44.942    22.179    17.869  4.6107  17.373  4.6669  0.4954224      6.560359 
1 1 1 0   -31 22 o 28.676  2.5699  117.018   19.246    108.847   27.209    125.199   27.227    27.593  3.7809  29.758  3.4816  -2.165176      5.139785 
1 1 1 0   -31 23 o 23.275  2.9740  79.362    17.849    77.340    25.499    81.305    24.993    22.930  4.3100  23.620  4.0991  -0.6895695     5.948000 
1 1 1 0   -31 24 o 43.515  2.2481  265.362   25.970    247.152   36.674    283.677   36.780    41.943  3.2909  45.088  3.0637  -3.145252      4.496247 
1 1 1 0   -31 25 o 34.442  2.3756  167.863   21.636    166.096   30.512    169.650   30.684    34.253  3.3693  34.631  3.3498  -0.3778687     4.751165 
1 1 1 0   -31 26 o 9.6904  2.9564  0.4106    13.935    4.7291    20.893    -3.0498   18.702    10.392  4.3841  8.9885  3.9675  1.403899       5.912841 
1 1 1 0   -31 27 o 53.054  2.2207  396.475   31.411    405.120   44.553    387.931   44.292    53.653  3.1136  52.456  3.1673  1.197792       4.441404 
1 1 1 0   -31 28 o 43.075  2.2753  263.772   26.006    255.901   37.600    270.989   36.006    42.361  3.3410  43.789  3.0898  -1.427860      4.550674 
1 1 1 0   -31 29 f 12.007  3.2871  16.362    15.383    8.3309    22.498    23.413    21.080    11.004  4.5895  13.010  4.7070  -2.006634      6.574167 
1 1 1 0   -31 30 o 14.898  3.1696  31.693    16.269    2.2764    23.706    57.883    22.368    10.468  4.5470  19.329  4.4170  -8.860935      6.339180 
1 1 1 0   -31 31 o 41.035  2.3579  243.059   25.659    259.784   37.202    227.884   35.436    42.416  3.3005  39.655  3.3682  2.761372       4.715710 
1 1 1 0   -31 32 o 34.443  2.5565  173.722   22.922    211.250   33.877    142.035   31.129    38.091  3.3547  30.796  3.8586  7.294945       5.112976 
1 1 1 0   -31 33 o 19.552  3.3859  64.984    18.759    35.786    27.785    89.445    25.431    14.966  5.4056  24.138  4.0788  -9.171905      6.771766 
1 1 1 0   -31 34 o 9.9446  3.1208  -0.3938   16.549    -2.1530   24.585    1.0639    22.379    9.9850  4.4692  9.9042  4.3572  0.8074856E-01  6.241685 
1 1 1 0   -31 35 o 11.068  3.1382  5.8614    15.941    30.677    23.064    -16.8380  22.059    13.903  4.9357  8.2341  3.8771  5.668548       6.276440 
1 1 1 0   -31 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -31 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -31 38 o 14.227  3.6634  35.195    18.235    30.284    26.670    39.507    24.989    13.534  5.2122  14.919  5.1492  -1.385187      7.326756 
1 1 1 0   -31 39 o 27.789  3.4130  136.801   23.592    189.629   33.460    84.574    33.269    34.819  3.6416  20.760  5.7734  14.05943       6.825952 
1 1 1 0   -31 40 o 16.203  3.3915  46.388    19.967    3.5695    28.437    88.024    28.041    10.376  4.7104  22.031  4.8806  -11.65453      6.782911 
1 1 1 0   -30 1  o 35.830  2.1585  177.752   20.485    191.358   29.490    165.064   28.477    37.189  2.9857  34.472  3.1179  2.716335       4.316939 
1 1 1 0   -30 2  o 29.078  2.4080  121.298   17.669    88.958    25.349    151.856   24.641    24.966  3.9199  33.191  2.7978  -8.225424      4.815967 
1 1 1 0   -30 3  o 24.798  2.4313  86.199    15.599    100.060   22.716    73.830    21.458    26.777  3.2327  22.820  3.6325  3.956985       4.862664 
1 1 1 0   -30 4  o 14.282  3.0399  29.144    12.589    26.696    18.815    31.127    16.939    13.861  4.4613  14.703  4.1305  -0.8412857     6.079821 
1 1 1 0   -30 5  o 39.878  2.0894  219.003   22.127    211.309   31.721    226.294   30.881    39.158  3.0484  40.598  2.8581  -1.440083      4.178706 
1 1 1 0   -30 6  o 20.357  2.6798  58.741    14.020    71.300    20.596    47.897    19.138    22.489  3.5358  18.225  4.0277  4.264027       5.359508 
1 1 1 0   -30 7  o 59.858  2.0904  490.693   33.422    475.586   47.774    505.175   46.775    58.883  3.0394  60.832  2.8707  -1.948681      4.180817 
1 1 1 0   -30 8  o 45.691  2.0530  285.703   24.962    306.101   35.939    266.688   34.698    47.290  2.8506  44.093  2.9551  3.196507       4.105927 
1 1 1 0   -30 9  o 73.091  2.1902  731.058   42.864    720.352   61.130    741.413   60.120    72.540  3.1462  73.642  3.0479  -1.101921      4.380435 
1 1 1 0   -30 10 o 61.916  2.0992  523.611   34.798    511.464   49.524    535.456   48.905    61.185  3.0219  62.647  2.9145  -1.461781      4.198390 
1 1 1 0   -30 11 o 20.131  6.9420  57.342    45.415    0.0000    0.0000    57.342    45.415    ?       ?       20.131  6.9420  ?              ?        
1 1 1 0   -30 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 20 o 50.467  2.1220  350.219   28.549    354.914   40.179    345.432   40.571    50.826  2.9643  50.109  3.0372  0.7169571      4.243996 
1 1 1 0   -30 21 o 22.448  2.8445  72.414    16.453    76.581    23.052    68.086    23.491    23.182  3.8473  21.714  4.1908  1.467928       5.689045 
1 1 1 0   -30 22 o 47.575  2.1116  311.852   26.768    307.635   37.475    316.245   38.249    47.250  2.9763  47.899  2.9963  -0.6497955     4.223298 
1 1 1 0   -30 23 o 22.269  2.8130  71.372    16.163    71.387    22.950    71.357    22.766    22.265  3.9951  22.273  3.9611  -0.7825851E-02 5.625977 
1 1 1 0   -30 24 o 18.634  3.0916  51.137    15.176    54.710    21.555    47.625    21.370    19.313  4.2795  17.956  4.4628  1.356781       6.183113 
1 1 1 0   -30 25 o 6.5975  2.2432  -23.1016  11.611    -23.0267  16.634    -23.1729  16.216    6.6641  3.2013  6.5310  3.1432  0.1330495      4.486455 
1 1 1 0   -30 26 o 34.026  2.3434  162.612   21.064    171.984   30.045    153.553   29.539    35.033  3.2385  33.019  3.3880  2.014046       4.686859 
1 1 1 0   -30 27 o 25.143  2.7719  91.668    17.964    103.082   25.609    80.610    25.207    26.831  3.6587  23.454  4.1650  3.377623       5.543769 
1 1 1 0   -30 28 o 17.830  3.3778  48.888    16.734    38.124    24.461    58.357    22.942    15.950  5.0819  19.710  4.4510  -3.759776      6.755505 
1 1 1 0   -30 29 f 13.662  3.1155  18.879    15.500    51.102    23.191    -7.1379   20.839    18.265  4.7099  9.0581  4.0796  9.207316       6.231041 
1 1 1 0   -30 30 o 20.487  3.2383  63.891    17.260    68.255    25.770    60.341    23.244    21.077  4.6861  19.897  4.4706  1.180651       6.476542 
1 1 1 0   -30 31 o 35.710  2.3679  182.815   22.365    185.001   32.372    180.819   30.934    35.872  3.4102  35.547  3.2861  0.3245811      4.735835 
1 1 1 0   -30 32 o 11.046  3.1792  10.079    15.234    -0.5169   23.019    18.337    20.322    10.048  4.4198  12.044  4.5711  -1.995459      6.358417 
1 1 1 0   -30 33 o 16.414  3.3468  43.382    17.053    20.116    25.268    62.844    23.110    12.761  5.0274  20.066  4.4192  -7.304709      6.693628 
1 1 1 0   -30 34 o 28.697  2.8158  125.934   20.629    104.190   29.713    146.169   28.663    25.849  4.4522  31.545  3.4485  -5.696541      5.631549 
1 1 1 0   -30 35 o 9.7930  3.0405  0.7795    15.395    -2.6926   21.976    4.1255    21.573    9.4702  4.2330  10.116  4.3658  -0.6456366     6.080999 
1 1 1 0   -30 36 o 7.9947  2.6666  -16.9768  14.826    -19.3194  22.130    -15.0693  19.970    8.0813  3.8286  7.9081  3.7127  0.1732130      5.333104 
1 1 1 0   -30 37 o 14.634  3.4922  32.480    18.050    55.786    25.668    9.6798    25.387    18.061  5.0883  11.208  4.7844  6.853436       6.984387 
1 1 1 0   -30 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -30 39 o 19.198  3.6575  66.431    20.959    36.630    29.556    96.577    29.726    14.500  5.5104  23.896  4.8108  -9.395938      7.314912 
1 1 1 0   -30 40 o 14.166  3.6745  35.148    18.796    23.421    26.559    46.915    26.604    12.492  5.0746  15.841  5.3157  -3.349090      7.349002 
1 1 1 0   -30 41 o 9.1802  3.0027  -6.7841   17.602    1.7281    24.554    -15.7828  25.246    9.7900  4.4170  8.5705  4.0688  1.219485       6.005373 
1 1 1 0   -29 1  o 38.803  2.0729  206.639   21.378    212.857   30.732    200.809   29.757    39.370  2.9354  38.236  2.9278  1.133972       4.145874 
1 1 1 0   -29 2  o 58.977  2.0793  475.699   32.756    457.950   46.634    492.985   46.022    57.822  3.0215  60.132  2.8574  -2.310173      4.158617 
1 1 1 0   -29 3  o 46.195  2.0213  291.726   24.879    292.349   35.661    291.135   34.727    46.232  2.8944  46.159  2.8224  0.7289505E-01  4.042655 
1 1 1 0   -29 4  o 90.652  2.3842  1125.19   57.880    1153.18   82.743    1098.38   80.994    91.758  3.3666  89.545  3.3769  2.212646       4.768421 
1 1 1 0   -29 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -29 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -29 7  o 65.747  2.0893  588.000   36.790    594.080   52.464    582.118   51.604    66.078  2.9642  65.416  2.9451  0.6620483      4.178577 
1 1 1 0   -29 8  o 47.607  2.0217  308.886   25.655    316.477   36.651    301.593   35.924    48.184  2.8525  47.030  2.8655  1.154327       4.043304 
1 1 1 0   -29 9  o 42.934  2.0342  251.399   23.212    272.547   33.260    231.317   32.411    44.725  2.7903  41.144  2.9608  3.580853       4.068442 
1 1 1 0   -29 10 o 26.566  2.3011  97.482    15.882    113.991   23.015    82.474    21.945    28.795  3.0295  24.336  3.4644  4.459211       4.602188 
1 1 1 0   -29 11 o 45.328  2.0624  281.100   24.721    321.901   35.231    241.528   34.696    48.645  2.7147  42.010  3.1054  6.635239       4.124750 
1 1 1 0   -29 12 o 38.279  2.0744  200.465   21.082    208.659   29.605    192.036   30.027    39.100  2.8464  37.458  3.0185  1.642189       4.148836 
1 1 1 0   -29 13 o 12.090  3.0038  17.948    12.041    19.745    17.639    16.381    16.477    12.495  4.3254  11.685  4.1693  0.8109388      6.007662 
1 1 1 0   -29 14 o 37.135  2.0896  189.005   20.549    204.279   29.001    173.603   29.122    38.689  2.8180  35.581  3.0863  3.107780       4.179245 
1 1 1 0   -29 15 o 33.324  2.1751  153.267   18.992    176.861   26.896    129.806   26.821    35.982  2.8131  30.665  3.3183  5.317045       4.350214 
1 1 1 0   -29 16 o 27.958  2.2875  108.122   16.787    103.175   23.912    112.929   23.573    27.290  3.3411  28.625  3.1253  -1.334867      4.575006 
1 1 1 0   -29 17 o 72.869  2.1422  723.647   41.786    748.584   58.890    698.361   59.301    74.160  2.9647  71.578  3.0931  2.581833       4.284476 
1 1 1 0   -29 18 o 53.465  2.0302  389.759   28.960    379.379   40.486    400.635   41.444    52.732  2.8773  54.198  2.8651  -1.465408      4.060449 
1 1 1 0   -29 19 o 67.400  2.1035  618.870   37.964    598.623   53.226    639.839   54.164    66.268  2.9987  68.531  2.9508  -2.262398      4.207034 
1 1 1 0   -29 20 o 44.014  2.0922  265.208   24.515    263.411   34.229    267.101   35.127    43.870  2.9299  44.158  2.9875  -0.2887421     4.184403 
1 1 1 0   -29 21 o 44.052  2.0594  266.216   24.110    282.085   33.842    249.858   34.358    45.431  2.7946  42.672  3.0256  2.758743       4.118766 
1 1 1 0   -29 22 o 21.067  2.8401  66.742    15.583    108.400   22.226    26.466    21.854    28.012  3.0095  14.121  4.8175  13.89110       5.680216 
1 1 1 0   -29 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -29 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -29 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -29 26 o 24.002  2.8066  82.567    17.304    96.446    24.943    69.690    24.025    26.096  3.6699  21.909  4.2474  4.187397       5.613277 
1 1 1 0   -29 27 o 32.926  2.3319  151.584   20.288    152.684   28.896    150.514   28.491    33.040  3.3097  32.812  3.2860  0.2278252      4.663854 
1 1 1 0   -29 28 o 10.844  3.0630  8.1122    13.819    17.752    19.997    -0.6998   19.119    12.245  4.5583  9.4434  4.0927  2.801524       6.126010 
1 1 1 0   -29 29 o 49.165  2.1450  336.899   28.049    319.274   40.147    353.708   39.206    47.830  3.1514  50.500  2.9108  -2.670376      4.290013 
1 1 1 0   -29 30 o 17.251  3.3394  44.956    15.852    47.279    23.282    42.949    21.643    17.637  4.8001  16.865  4.6438  0.7719707      6.678786 
1 1 1 0   -29 31 o 20.962  3.2430  68.013    17.811    50.938    25.952    83.216    24.488    18.114  5.1210  23.810  3.9803  -5.695698      6.485941 
1 1 1 0   -29 32 o 8.7726  2.7945  -6.8599   13.898    -11.9054  20.649    -2.6812   18.792    8.5378  3.9275  9.0073  3.9763  -0.4695387     5.588966 
1 1 1 0   -29 33 o 41.788  2.2618  248.338   25.095    263.945   36.385    234.177   34.657    43.061  3.1771  40.516  3.2201  2.544567       4.523589 
1 1 1 0   -29 34 o 23.937  3.0779  91.345    18.529    57.478    26.764    122.521   25.678    18.815  5.1573  29.060  3.3610  -10.24524      6.155779 
1 1 1 0   -29 35 o 20.359  3.4105  66.794    18.445    78.512    26.219    55.311    25.955    22.366  4.5319  18.352  5.0979  4.013720       6.821082 
1 1 1 0   -29 36 o 28.360  3.0258  126.348   21.526    93.788    30.707    157.809   30.184    24.036  4.9350  32.684  3.5025  -8.648266      6.051540 
1 1 1 0   -29 37 o 8.8134  2.7986  -16.5528  15.255    -43.6845  21.271    12.181    21.890    6.5208  3.2317  11.106  4.5700  -4.585303      5.597197 
1 1 1 0   -29 38 o 35.609  2.6886  193.723   24.946    168.559   35.632    217.913   34.936    32.943  4.1289  38.275  3.4447  -5.332031      5.377118 
1 1 1 0   -29 39 o 13.187  3.0510  11.670    17.199    59.973    24.738    -33.5209  23.928    18.824  4.8696  7.5500  3.6771  11.27374       6.101965 
1 1 1 0   -29 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -29 41 o 7.7718  2.6535  -26.3759  16.606    -32.6744  22.873    -19.3551  24.148    7.2610  3.5491  8.2826  3.9456  -1.021652      5.306954 
1 1 1 0   -29 42 o 10.216  3.2303  3.4331    18.399    12.820    25.712    -6.4186   26.341    11.022  4.7615  9.4102  4.3666  1.611679       6.460580 
1 1 1 0   -29 43 o 17.227  3.7842  61.737    21.413    33.625    30.284    89.846    30.282    13.123  5.3847  21.331  5.3185  -8.208193      7.568437 
1 1 1 0   -28 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -28 2  o 43.816  2.0056  261.849   23.394    253.480   33.312    269.992   32.860    43.104  2.9022  44.527  2.7689  -1.423641      4.011241 
1 1 1 0   -28 3  o 48.737  2.0094  323.259   26.113    331.022   37.269    315.771   36.600    49.316  2.8334  48.159  2.8500  1.157665       4.018789 
1 1 1 0   -28 4  o 44.319  1.9602  267.303   23.144    263.334   33.003    271.144   32.466    43.983  2.8162  44.655  2.7274  -0.6720619     3.920463 
1 1 1 0   -28 5  o 13.337  2.8603  23.412    11.405    33.854    17.050    14.955    15.343    15.429  4.0678  11.246  4.0222  4.183327       5.720585 
1 1 1 0   -28 6  o 18.636  2.4794  48.474    11.868    60.859    17.516    37.961    16.137    20.923  3.2294  16.349  3.7631  4.574131       4.958825 
1 1 1 0   -28 7  o 46.895  1.9582  298.932   24.475    292.670   34.892    304.999   34.341    46.397  2.8211  47.393  2.7167  -0.9958801     3.916447 
1 1 1 0   -28 8  o 61.150  2.0322  507.427   33.151    551.855   47.331    464.644   46.446    63.842  2.7679  58.458  2.9762  5.383602       4.064314 
1 1 1 0   -28 9  o 57.931  2.0311  455.349   31.435    477.934   44.674    433.199   44.241    59.406  2.8076  56.455  2.9358  2.951012       4.062218 
1 1 1 0   -28 10 o 64.433  2.0592  562.666   35.538    570.458   50.419    554.973   50.098    64.879  2.9014  63.987  2.9230  0.8922310      4.118498 
1 1 1 0   -28 11 o 112.788 2.6483  1737.42   80.002    1765.68   113.602   1709.61   112.683   113.707 3.7300  111.869 3.7606  1.837746       5.296698 
1 1 1 0   -28 12 o 31.565  2.2059  136.893   18.311    122.471   25.874    151.364   25.918    29.839  3.2922  33.291  2.9368  -3.452005      4.411734 
1 1 1 0   -28 13 o 15.777  2.9489  35.321    12.653    37.578    18.214    33.216    17.590    16.245  4.1661  15.308  4.1747  0.9362097      5.897826 
1 1 1 0   -28 14 o 53.256  1.9883  385.522   28.239    398.393   39.652    372.277   40.224    54.179  2.7413  52.332  2.8808  1.846928       3.976639 
1 1 1 0   -28 15 o 98.142  2.4223  1312.27   63.671    1292.84   89.812    1331.91   90.280    97.403  3.4425  98.881  3.4087  -1.477608      4.844560 
1 1 1 0   -28 16 o 46.468  2.0171  294.117   24.951    308.347   35.093    279.570   35.481    47.633  2.7625  45.304  2.9398  2.329163       4.034115 
1 1 1 0   -28 17 f 52.526  1.9984  375.901   27.936    407.585   39.163    343.078   39.860    54.867  2.6649  50.186  2.9787  4.680859       3.996765 
1 1 1 0   -28 18 o 21.797  2.6762  66.866    15.034    61.077    21.129    72.802    21.396    20.779  3.9406  22.815  3.6222  -2.036509      5.352466 
1 1 1 0   -28 19 o 12.401  2.9411  18.389    12.460    4.7583    18.075    30.729    17.199    10.066  4.1487  14.737  4.1698  -4.670386      5.882110 
1 1 1 0   -28 20 o 29.868  2.2018  123.458   17.217    135.831   23.944    110.213   24.773    31.501  2.8692  28.234  3.3406  3.267601       4.403651 
1 1 1 0   -28 21 o 12.735  2.8765  19.791    12.033    34.424    17.320    6.1415    16.729    15.523  4.1035  9.9469  4.0321  5.576175       5.752940 
1 1 1 0   -28 22 o 19.053  2.9039  52.988    14.666    31.400    20.741    74.575    20.741    15.003  4.6660  23.103  3.4580  -8.099987      5.807711 
1 1 1 0   -28 23 o 49.982  1.9985  340.863   26.642    333.803   37.499    348.061   37.860    49.453  2.8429  50.512  2.8094  -1.059277      3.996903 
1 1 1 0   -28 24 o 46.702  2.0195  298.158   25.138    292.166   35.481    304.197   35.620    46.221  2.8802  47.183  2.8316  -0.9615860     4.039022 
1 1 1 0   -28 25 o 53.113  2.0531  386.059   29.094    380.180   41.170    391.924   41.121    52.698  2.9282  53.528  2.8787  -0.8294983     4.106248 
1 1 1 0   -28 26 f 13.351  3.1941  22.720    14.273    10.661    20.725    33.601    19.686    11.394  4.5326  15.307  4.5016  -3.912979      6.388207 
1 1 1 0   -28 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -28 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -28 29 o 46.513  2.1503  299.983   26.574    284.109   38.197    314.872   36.994    45.249  3.1717  47.778  2.9045  -2.529305      4.300671 
1 1 1 0   -28 30 o 29.357  2.4951  122.588   19.072    112.266   27.740    131.841   26.265    28.048  3.7895  30.667  3.2469  -2.619331      4.990285 
1 1 1 0   -28 31 o 16.967  3.2983  43.611    15.800    32.430    23.185    53.304    21.588    14.999  4.9605  18.935  4.3483  -3.935632      6.596545 
1 1 1 0   -28 32 f 35.108  2.3781  174.521   22.053    172.229   31.931    176.611   30.494    34.826  3.4693  35.389  3.2534  -0.5631752     4.756153 
1 1 1 0   -28 33 o 26.626  2.7471  102.881   18.937    115.987   27.835    91.588    25.838    28.283  3.7680  24.969  3.9984  3.314344       5.494106 
1 1 1 0   -28 34 o 12.389  2.8993  10.698    15.011    -26.6434  21.697    44.979    20.789    7.6721  3.6778  17.106  4.4830  -9.433863      5.798550 
1 1 1 0   -28 35 o 27.057  2.8608  111.023   19.585    86.674    28.089    134.060   27.322    23.683  4.5938  30.430  3.4108  -6.747143      5.721620 
1 1 1 0   -28 36 o 39.726  2.3932  229.883   25.098    215.427   36.363    243.036   34.684    38.339  3.5825  41.112  3.1743  -2.772381      4.786489 
1 1 1 0   -28 37 o 41.247  2.4361  249.376   26.660    257.511   38.060    241.540   37.355    41.939  3.4179  40.556  3.4722  1.382374       4.872193 
1 1 1 0   -28 38 o 13.210  3.5408  25.370    17.259    22.700    24.288    28.093    24.528    12.810  4.9626  13.611  5.0519  -0.8010683     7.081657 
1 1 1 0   -28 39 o 10.811  3.3033  5.2249    17.768    15.063    25.505    -4.0517   24.767    11.846  4.9092  9.7762  4.4211  2.069951       6.606540 
1 1 1 0   -28 40 o 21.991  3.5243  82.906    20.511    100.821   28.675    64.137    29.350    25.032  4.4395  18.950  5.4750  6.081997       7.048685 
1 1 1 0   -28 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -28 42 o 9.7037  3.1265  -7.4964   18.635    -25.9862  26.426    10.793    26.282    8.3118  4.0032  11.096  4.8036  -2.783791      6.253036 
1 1 1 0   -28 43 o 11.379  3.4784  14.719    19.437    13.175    27.513    16.258    27.464    11.226  4.8874  11.531  4.9507  -0.3052368     6.956752 
1 1 1 0   -28 44 o 7.0910  2.4828  -41.4699  16.765    -58.7125  22.254    -18.8417  25.493    5.9158  2.9840  8.2663  3.9689  -2.350516      4.965559 
1 1 1 0   -27 1  o 67.982  2.0886  626.595   38.027    628.765   54.172    624.487   53.393    68.093  2.9702  67.870  2.9371  0.2227020      4.177128 
1 1 1 0   -27 2  o 19.261  2.4871  52.996    12.210    39.058    17.424    66.448    17.117    16.576  3.9756  21.946  2.9896  -5.370707      4.974249 
1 1 1 0   -27 3  o 29.418  2.0935  118.298   16.241    127.609   23.301    109.498   22.651    30.570  2.8796  28.265  3.0397  2.305258       4.187093 
1 1 1 0   -27 4  o 59.190  2.0123  474.050   31.901    476.617   45.423    471.551   44.813    59.345  2.8576  59.034  2.8341  0.3112106      4.024648 
1 1 1 0   -27 5  o 35.604  1.9846  173.017   18.696    157.693   26.627    187.920   26.258    34.005  2.9527  37.203  2.6524  -3.198296      3.969106 
1 1 1 0   -27 6  o 58.039  1.9919  455.925   30.890    479.438   44.090    433.257   43.292    59.554  2.7640  56.523  2.8689  3.031414       3.983789 
1 1 1 0   -27 7  o 112.511 2.6301  1723.28   79.257    1739.56   112.848   1707.42   111.340   113.032 3.7274  111.990 3.7118  1.041344       5.260296 
1 1 1 0   -27 8  o 58.474  2.0099  462.251   31.475    472.874   44.704    451.807   44.324    59.145  2.8219  57.804  2.8628  1.340290       4.019813 
1 1 1 0   -27 9  o 150.150 3.1818  3090.04   127.939   3175.48   181.875   3006.34   180.005   152.235 4.4604  148.066 4.5388  4.169022       6.363604 
1 1 1 0   -27 10 o 93.728  2.3441  1191.33   58.845    1207.61   83.514    1175.28   82.927    94.368  3.3041  93.088  3.3259  1.279663       4.688135 
1 1 1 0   -27 11 o 139.556 3.0119  2662.45   112.581   2689.70   159.694   2635.53   158.738   140.272 4.2504  138.840 4.2685  1.431717       6.023777 
1 1 1 0   -27 12 o 60.158  2.0132  489.384   32.426    501.578   45.624    476.937   46.094    60.926  2.7958  59.391  2.8976  1.534981       4.026458 
1 1 1 0   -27 13 o 83.937  2.2114  954.737   49.683    992.768   70.145    916.451   70.380    85.636  3.0581  82.238  3.1951  3.397682       4.422732 
1 1 1 0   -27 14 o 22.838  2.4725  72.377    14.609    79.194    20.953    65.927    20.379    23.935  3.3608  21.741  3.6274  2.193874       4.945012 
1 1 1 0   -27 15 o 18.067  2.7364  47.302    13.051    28.364    18.617    65.599    18.300    14.367  4.4128  21.768  3.2372  -7.400656      5.472893 
1 1 1 0   -27 16 o 47.783  1.9471  310.103   24.774    323.016   34.599    296.517   35.489    48.830  2.6553  46.737  2.8486  2.092693       3.894246 
1 1 1 0   -27 17 o 24.748  2.3981  84.638    15.469    83.075    21.454    86.331    22.326    24.514  3.3555  24.982  3.4269  -0.4679356     4.796156 
1 1 1 0   -27 18 o 67.504  2.0263  616.700   36.631    608.338   51.196    625.472   52.433    67.039  2.8512  67.969  2.8801  -0.9301987     4.052638 
1 1 1 0   -27 19 o 68.820  2.0453  642.502   37.645    673.970   52.812    609.995   53.676    70.562  2.7943  67.079  2.9875  3.483414       4.090614 
1 1 1 0   -27 20 o 14.557  2.9074  29.044    12.163    40.093    17.814    19.395    16.647    16.782  4.0166  12.332  4.2045  4.450157       5.814725 
1 1 1 0   -27 21 o 31.765  2.1057  138.080   17.706    137.229   24.897    138.951   25.185    31.666  2.9700  31.863  2.9859  -0.1961899     4.211487 
1 1 1 0   -27 22 o 11.814  2.9857  15.856    12.362    7.4944    17.928    23.436    17.070    10.442  4.1947  13.186  4.2498  -2.743331      5.971313 
1 1 1 0   -27 23 o 44.201  1.9853  266.153   23.380    271.017   33.084    261.301   33.044    44.613  2.7826  43.790  2.8324  0.8229980      3.970564 
1 1 1 0   -27 24 o 25.833  2.3378  92.611    15.768    86.505    22.341    98.671    22.258    24.936  3.4361  26.729  3.1708  -1.792719      4.675527 
1 1 1 0   -27 25 o 34.965  2.1512  167.941   19.917    159.041   28.257    176.729   28.078    34.010  3.1373  35.919  2.9443  -1.909466      4.302475 
1 1 1 0   -27 26 o 16.450  3.0945  38.474    13.931    46.335    20.593    31.840    18.917    17.919  4.3373  14.980  4.4148  2.938479       6.188941 
1 1 1 0   -27 27 o 34.093  2.1759  160.989   19.520    145.153   28.120    175.718   27.119    32.388  3.2870  35.799  2.8519  -3.411026      4.351747 
1 1 1 0   -27 28 o 55.509  2.0699  422.094   30.663    423.812   43.717    420.431   43.020    55.612  2.9454  55.405  2.9091  0.2075462      4.139804 
1 1 1 0   -27 29 o 13.809  3.4510  24.326    16.297    31.591    21.590    14.705    24.845    14.974  4.7747  12.643  4.9838  2.331163       6.901902 
1 1 1 0   -27 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -27 31 o 21.778  3.1052  73.324    17.371    45.448    25.962    95.920    23.374    17.477  5.1778  26.079  3.4292  -8.602438      6.210381 
1 1 1 0   -27 32 o 26.188  2.7010  98.365    18.320    108.257   26.129    88.801    25.693    27.589  3.6235  24.787  4.0066  2.801804       5.402075 
1 1 1 0   -27 33 o 42.461  2.2280  252.489   25.136    245.187   35.899    259.512   35.207    41.809  3.2308  43.114  3.0688  -1.304401      4.455968 
1 1 1 0   -27 34 o 25.834  2.8828  98.052    19.164    111.656   27.337    84.906    26.874    27.788  3.7702  23.880  4.3622  3.907915       5.765687 
1 1 1 0   -27 35 o 22.974  3.1380  79.849    18.554    99.312    26.813    61.968    25.700    25.967  3.9822  19.981  4.8509  5.986044       6.276023 
1 1 1 0   -27 36 o 28.724  2.8469  122.618   21.095    141.998   30.284    104.351   29.402    31.174  3.6991  26.275  4.3284  4.898165       5.693738 
1 1 1 0   -27 37 o 39.439  2.4479  227.174   25.424    205.401   36.497    247.702   35.438    37.371  3.6945  41.507  3.2125  -4.135952      4.895853 
1 1 1 0   -27 38 o 14.680  3.6203  33.908    17.588    38.750    24.877    29.068    24.869    15.455  5.1395  13.905  5.1000  1.549791       7.240527 
1 1 1 0   -27 39 o 24.762  3.2645  98.324    20.810    89.944    29.759    106.343   29.111    23.456  4.8949  26.067  4.3207  -2.611130      6.529100 
1 1 1 0   -27 40 o 9.2390  2.9611  -7.6182   16.088    -18.5791  22.217    4.4662    23.328    8.1255  3.8456  10.352  4.5037  -2.226945      5.922176 
1 1 1 0   -27 41 o 8.3114  2.7519  -17.3448  15.734    -31.7614  22.386    -3.2688   22.120    7.3127  3.5605  9.3100  4.1971  -1.997334      5.503881 
1 1 1 0   -27 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -27 43 o 11.838  3.4761  11.487    19.441    -10.5922  26.396    37.661    28.740    9.2678  4.3241  14.409  5.4438  -5.140950      6.952209 
1 1 1 0   -27 44 f 9.3273  3.0765  -8.1357   18.908    -4.7198   26.068    -11.9286  27.468    9.4775  4.3788  9.1771  4.3227  0.3004427      6.153023 
1 1 1 0   -27 45 o 13.614  3.8269  36.450    21.619    19.582    29.700    55.462    31.530    11.591  5.0611  15.638  5.7415  -4.047653      7.653719 
1 1 1 0   -26 1  o 30.146  1.9991  123.897   15.953    123.919   22.483    123.875   22.639    30.151  2.8167  30.141  2.8375  0.9319305E-02  3.998154 
1 1 1 0   -26 2  o 37.322  1.9629  189.695   19.398    170.883   27.472    208.400   27.394    35.434  2.9206  39.210  2.6235  -3.775906      3.925895 
1 1 1 0   -26 3  o 26.553  2.1009  96.526    14.615    107.600   20.912    85.953    20.433    28.088  2.8175  25.017  3.1171  3.071741       4.201753 
1 1 1 0   -26 4  o 72.809  2.1051  716.456   41.045    714.174   58.556    718.660   57.550    72.688  3.0076  72.930  2.9461  -0.2414780     4.210110 
1 1 1 0   -26 5  f 122.685 2.7535  2045.57   90.476    2075.35   128.871   2016.63   127.052   123.566 3.8938  121.805 3.8943  1.760750       5.506990 
1 1 1 0   -26 6  o 21.101  2.3664  61.504    12.906    64.918    18.955    58.554    17.621    21.651  3.3791  20.551  3.3137  1.099140       4.732764 
1 1 1 0   -26 7  o 114.519 2.6003  1777.84   79.728    1847.99   113.538   1709.60   111.982   116.765 3.6303  112.273 3.7238  4.491959       5.200517 
1 1 1 0   -26 8  o 84.550  2.2058  965.547   49.946    989.177   71.069    942.487   70.207    85.576  3.1005  83.524  3.1382  2.052742       4.411532 
1 1 1 0   -26 9  o 58.463  1.9770  461.681   30.853    493.841   43.837    430.111   43.432    60.532  2.7038  56.394  2.8850  4.137470       3.953936 
1 1 1 0   -26 10 o 60.194  1.9832  488.487   31.972    480.250   45.005    496.880   45.428    59.680  2.8154  60.707  2.7938  -1.027641      3.966311 
1 1 1 0   -26 11 o 77.004  2.1237  800.288   43.799    807.294   61.816    793.226   62.066    77.346  2.9838  76.662  3.0227  0.6844482      4.247323 
1 1 1 0   -26 12 o 95.010  2.3220  1220.11   59.091    1223.82   83.464    1216.39   83.670    95.158  3.2747  94.863  3.2929  0.2943878      4.644017 
1 1 1 0   -26 13 o 71.585  2.0612  691.357   39.486    653.293   55.487    730.407   56.202    69.577  2.9774  73.592  2.8512  -4.015114      4.122448 
1 1 1 0   -26 14 o 114.137 2.5519  1764.64   78.010    1740.73   110.093   1788.75   110.554   113.354 3.6260  114.919 3.5916  -1.565430      5.103727 
1 1 1 0   -26 15 o 44.506  1.9281  267.722   22.850    251.131   31.777    285.484   32.880    43.067  2.7694  45.944  2.6835  -2.876896      3.856280 
1 1 1 0   -26 16 o 57.919  1.9448  452.503   30.161    455.255   42.195    449.627   43.128    58.105  2.7112  57.733  2.7890  0.3717194      3.889616 
1 1 1 0   -26 17 o 41.760  1.9196  236.033   21.347    227.699   29.782    244.839   30.612    40.997  2.7277  42.522  2.7018  -1.525795      3.839279 
1 1 1 0   -26 18 f 61.637  1.9489  512.743   32.170    512.421   45.064    513.078   45.940    61.622  2.7302  61.653  2.7820  -0.3061295E-01 3.897894 
1 1 1 0   -26 19 o 58.256  1.9447  458.577   30.321    473.163   42.538    443.512   43.231    59.210  2.6822  57.302  2.8166  1.907871       3.889410 
1 1 1 0   -26 20 o 32.223  2.0428  141.445   17.442    139.759   24.424    143.199   24.916    32.027  2.8778  32.418  2.9001  -0.3907661     4.085636 
1 1 1 0   -26 21 o 32.490  2.0371  144.220   17.458    159.961   24.766    128.670   24.615    34.301  2.7179  30.679  3.0353  3.622065       4.074275 
1 1 1 0   -26 22 o 14.443  2.8883  29.321    11.727    25.696    16.740    32.815    16.434    13.667  4.1822  15.219  3.9847  -1.552197      5.776509 
1 1 1 0   -26 23 o 39.347  1.9447  210.878   20.326    223.408   28.569    198.035   28.924    40.560  2.6442  38.133  2.8524  2.427132       3.889470 
1 1 1 0   -26 24 o 24.736  2.3704  85.153    15.143    72.378    21.336    98.121    21.497    22.759  3.6213  26.713  3.0597  -3.953955      4.740848 
1 1 1 0   -26 25 o 16.693  2.9734  40.048    13.316    35.864    19.464    43.729    18.258    15.874  4.4165  17.512  3.9825  -1.637481      5.946858 
1 1 1 0   -26 26 o 85.319  2.2719  992.859   51.890    959.552   73.607    1025.77   73.162    83.866  3.2768  86.772  3.1479  -2.906670      4.543806 
1 1 1 0   -26 27 o 33.254  2.1681  151.712   19.080    159.185   27.500    144.775   26.494    34.054  3.0472  32.453  3.0850  1.600304       4.336200 
1 1 1 0   -26 28 o 13.089  2.9898  20.369    12.831    36.806    19.094    6.8353    17.325    16.007  4.3430  10.171  4.1101  5.835961       5.979552 
1 1 1 0   -26 29 o 36.064  2.1098  178.608   20.189    185.160   28.945    172.402   28.174    36.716  2.9687  35.412  2.9986  1.304359       4.219546 
1 1 1 0   -26 30 o 65.185  2.1178  580.961   36.962    598.654   53.135    564.372   51.450    66.144  2.9991  64.226  2.9908  1.918030       4.235503 
1 1 1 0   -26 31 o 39.272  2.5526  210.701   26.248    183.430   34.187    249.863   40.968    36.240  3.5683  42.305  3.6512  -6.065746      5.105284 
1 1 1 0   -26 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -26 33 o 16.545  2.9808  37.571    15.799    72.427    22.556    3.9942    22.137    22.410  3.8994  10.679  4.5094  11.73028       5.961565 
1 1 1 0   -26 34 o 27.138  2.7366  106.205   19.272    101.140   27.772    110.909   26.765    26.414  4.0550  27.862  3.6762  -1.448492      5.473288 
1 1 1 0   -26 35 f 25.350  2.9427  94.454    19.274    91.737    27.486    97.084    27.036    24.927  4.2703  25.773  4.0501  -0.8455162     5.885441 
1 1 1 0   -26 36 o 15.046  3.3086  31.395    17.161    3.1800    25.111    56.120    23.506    10.965  4.7213  19.127  4.6364  -8.162125      6.617211 
1 1 1 0   -26 37 o 27.092  2.9361  110.091   20.472    96.493    29.068    123.475   28.838    25.181  4.4736  29.004  3.8038  -3.823092      5.872130 
1 1 1 0   -26 38 o 38.513  2.4346  215.188   24.838    223.767   35.662    207.105   34.613    39.278  3.4240  37.747  3.4621  1.531132       4.869268 
1 1 1 0   -26 39 o 23.504  3.2989  87.695    20.027    88.715    28.805    86.740    27.864    23.595  4.7227  23.414  4.6072  0.1810017      6.597751 
1 1 1 0   -26 40 o 8.6430  2.8555  -14.7603  16.355    -11.9159  22.126    -18.1865  24.284    8.6539  4.0108  8.6322  4.0656  0.2164459E-01  5.711043 
1 1 1 0   -26 41 o 11.812  3.4058  13.071    18.111    29.026    24.889    -4.8859   26.404    13.646  5.0842  9.9777  4.5331  3.668503       6.811623 
1 1 1 0   -26 42 o 10.827  3.3288  6.6903    18.018    8.8522    24.776    4.2629    26.252    10.958  4.7033  10.697  4.7121  0.2609034      6.657647 
1 1 1 0   -26 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -26 44 o 24.735  3.8686  114.117   25.136    134.850   35.229    92.618    35.874    27.902  4.8922  21.567  5.9943  6.335138       7.737249 
1 1 1 0   -26 45 o 10.336  3.3130  3.5863    19.790    3.1960    27.409    4.0113    28.602    10.234  4.6375  10.437  4.7328  -0.2033806     6.626097 
1 1 1 0   -25 1  f 31.197  1.9914  132.682   16.375    118.136   23.120    147.323   23.195    29.436  2.9732  32.957  2.6500  -3.521389      3.982734 
1 1 1 0   -25 2  o 119.727 2.7101  1943.60   86.906    1958.81   123.645   1928.75   122.176   120.187 3.8409  119.268 3.8245  0.9193726      5.420259 
1 1 1 0   -25 3  o 50.598  1.9245  345.715   25.967    363.694   37.131    328.505   36.329    51.895  2.6804  49.301  2.7622  2.594269       3.848970 
1 1 1 0   -25 4  o 68.305  2.0386  629.367   37.257    603.813   53.100    654.145   52.289    66.926  2.9622  69.683  2.8015  -2.757668      4.077117 
1 1 1 0   -25 5  o 74.324  2.0980  744.267   41.761    758.957   59.560    730.060   58.572    75.046  2.9630  73.602  2.9710  1.443756       4.196019 
1 1 1 0   -25 6  o 28.729  2.0471  112.029   15.517    119.864   22.503    104.927   21.425    29.699  2.8643  27.759  2.9256  1.939793       4.094286 
1 1 1 0   -25 7  o 58.063  1.9303  453.552   30.014    466.803   42.830    440.766   42.072    58.897  2.7150  57.228  2.7447  1.669132       3.860613 
1 1 1 0   -25 8  o 77.523  2.1437  809.510   44.511    813.940   63.202    805.150   62.698    77.733  3.0355  77.313  3.0277  0.4197235      4.287349 
1 1 1 0   -25 9  o 71.180  2.0517  682.353   39.080    718.908   55.424    646.209   55.112    73.086  2.8312  69.275  2.9701  3.811028       4.103372 
1 1 1 0   -25 10 o 85.604  2.2010  987.251   50.464    974.728   71.367    999.774   71.365    85.058  3.1325  86.150  3.0927  -1.092361      4.401995 
1 1 1 0   -25 11 o 73.007  2.0783  717.959   40.617    741.550   57.201    693.968   57.685    74.225  2.8771  71.789  3.0000  2.436493       4.156671 
1 1 1 0   -25 12 o 7.9390  2.4546  -4.4473   9.9272    1.8130    15.155    -9.1523   13.138    8.9732  3.7568  6.9049  3.1602  2.068315       4.909254 
1 1 1 0   -25 13 o 18.136  2.8027  46.476    13.269    38.453    18.941    54.208    18.594    16.542  4.2517  19.730  3.6529  -3.188253      5.605416 
1 1 1 0   -25 14 o 159.981 3.2818  3474.44   140.622   3507.08   198.682   3441.67   199.058   160.746 4.6145  159.216 4.6677  1.530457       6.563657 
1 1 1 0   -25 15 o 40.454  1.9705  221.470   21.199    225.694   29.509    216.966   30.475    40.865  2.7113  40.043  2.8602  0.8221741      3.941043 
1 1 1 0   -25 16 o 92.941  2.2652  1165.12   56.377    1180.04   79.199    1149.80   80.269    93.552  3.1607  92.329  3.2458  1.223396       4.530449 
1 1 1 0   -25 17 o 96.923  2.3273  1267.86   60.414    1274.23   85.027    1261.36   85.856    97.174  3.2668  96.672  3.3158  0.5026855      4.654687 
1 1 1 0   -25 18 o 32.090  2.0670  140.129   17.522    128.812   24.746    151.509   24.814    30.759  3.0436  33.421  2.7977  -2.662416      4.134056 
1 1 1 0   -25 19 o 95.711  2.2941  1237.27   58.807    1243.01   82.751    1231.42   83.585    95.941  3.2202  95.481  3.2683  0.4603195      4.588172 
1 1 1 0   -25 20 o 42.516  1.8909  244.445   21.412    233.501   29.997    255.814   30.574    41.537  2.7111  43.496  2.6367  -1.959156      3.781865 
1 1 1 0   -25 21 o 61.062  1.9570  502.922   31.998    486.700   45.059    519.426   45.448    60.063  2.8008  62.060  2.7341  -1.997139      3.914051 
1 1 1 0   -25 22 o 23.285  2.3816  74.918    14.421    76.005    20.412    73.835    20.377    23.462  3.3427  23.108  3.3933  0.3541317      4.763194 
1 1 1 0   -25 23 o 50.548  1.9133  345.957   25.810    344.718   36.496    347.196   36.506    50.456  2.7104  50.640  2.7012  -0.1834183     3.826568 
1 1 1 0   -25 24 o 25.224  2.2960  87.794    15.051    99.382    21.520    76.699    21.058    26.924  3.0372  23.523  3.4442  3.400803       4.592041 
1 1 1 0   -25 25 o 44.511  1.9245  268.877   22.826    271.524   32.793    266.390   31.791    44.717  2.7513  44.304  2.6918  0.4132729      3.849025 
1 1 1 0   -25 26 o 67.438  2.0383  616.503   36.811    619.071   52.635    614.045   51.500    67.568  2.9083  67.308  2.8566  0.2601852      4.076604 
1 1 1 0   -25 27 o 103.872 2.4879  1473.73   69.216    1490.52   98.470    1457.34   97.312    104.456 3.5195  103.288 3.5174  1.168068       4.975853 
1 1 1 0   -25 28 o 11.170  2.5742  5.5683    12.199    -27.9076  17.887    34.683    16.681    6.7560  3.2636  15.583  3.9817  -8.827280      5.148326 
1 1 1 0   -25 29 o 62.558  2.0501  533.205   34.304    512.941   49.182    552.403   47.870    61.367  2.9921  63.749  2.8035  -2.382042      4.100295 
1 1 1 0   -25 30 o 29.246  2.3719  119.989   17.959    101.851   25.952    136.656   24.878    26.970  3.6892  31.521  2.9821  -4.550241      4.743749 
1 1 1 0   -25 31 o 22.899  2.9066  79.539    16.627    41.208    23.899    115.497   23.148    16.883  4.9586  28.915  3.0340  -12.03213      5.813192 
1 1 1 0   -25 32 o 65.496  2.1546  588.033   37.794    600.955   53.727    575.376   53.175    66.217  3.0292  64.775  3.0649  1.442047       4.309279 
1 1 1 0   -25 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -25 34 o 21.523  3.1056  69.310    17.522    101.709   25.132    38.667    24.442    26.793  3.5925  16.252  5.0669  10.54110       6.211237 
1 1 1 0   -25 35 o 36.273  2.3660  185.045   22.543    213.079   32.358    158.605   31.424    39.075  3.1176  33.470  3.5599  5.604900       4.732038 
1 1 1 0   -25 36 o 31.896  2.7389  150.470   21.906    110.083   31.669    187.522   30.333    27.247  4.4962  36.544  3.1291  -9.297119      5.477882 
1 1 1 0   -25 37 o 14.079  2.9936  17.285    16.320    -21.3698  22.470    60.440    23.742    8.2431  3.8910  19.915  4.5505  -11.67207      5.987166 
1 1 1 0   -25 38 o 36.780  2.5544  196.508   24.750    183.988   35.499    208.350   34.524    35.489  3.7933  38.072  3.4222  -2.582657      5.108845 
1 1 1 0   -25 39 o 18.797  3.5770  57.147    18.575    47.674    25.980    67.054    26.568    17.124  5.2040  20.470  4.9091  -3.346127      7.154035 
1 1 1 0   -25 40 o 12.808  3.3920  17.887    17.240    -2.3898   23.737    40.526    25.081    9.8746  4.4076  15.742  5.1570  -5.867220      6.783954 
1 1 1 0   -25 41 o 15.945  3.2886  38.268    18.385    73.530    25.636    0.9237    26.382    21.338  4.6194  10.552  4.6820  10.78623       6.577247 
1 1 1 0   -25 42 o 24.889  3.5303  104.680   22.722    134.605   32.301    75.367    31.969    29.255  4.2463  20.523  5.6410  8.732025       7.060606 
1 1 1 0   -25 43 f 10.544  3.2579  2.3805    18.251    16.479    24.612    -14.8461  27.205    11.799  4.8494  9.2883  4.3519  2.510960       6.515847 
1 1 1 0   -25 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -25 45 o 8.9444  2.9843  -17.9073  18.512    -31.8864  24.538    0.5585    28.202    7.5906  3.7027  10.298  4.6811  -2.707616      5.968510 
1 1 1 0   -25 46 o 14.659  3.9743  44.453    22.028    35.152    30.262    54.935    32.127    13.468  5.4359  15.850  5.7992  -2.382030      7.948521 
1 1 1 0   -24 1  o 53.105  1.9312  380.600   27.367    376.146   39.097    384.880   38.321    52.793  2.7746  53.417  2.6869  -0.6238327     3.862400 
1 1 1 0   -24 2  o 145.893 3.0499  2882.14   119.164   2953.21   169.407   2812.53   167.655   147.685 4.2826  144.102 4.3437  3.582840       6.099830 
1 1 1 0   -24 3  o 189.181 3.8385  4873.45   194.443   4752.45   275.719   4993.16   274.253   186.798 5.5107  191.565 5.3450  -4.767029      7.677023 
1 1 1 0   -24 4  o 73.816  2.0949  733.195   41.412    727.238   58.991    738.982   58.148    73.517  2.9958  74.116  2.9291  -0.5989304     4.189813 
1 1 1 0   -24 5  o 48.817  1.9336  321.340   25.172    332.958   35.765    309.936   35.434    49.699  2.6968  47.936  2.7716  1.763126       3.867136 
1 1 1 0   -24 6  f 55.109  1.9410  408.617   28.600    417.980   40.756    399.533   40.143    55.767  2.7285  54.451  2.7615  1.316074       3.882054 
1 1 1 0   -24 7  o 105.045 2.4594  1485.93   69.196    1495.17   98.322    1476.87   97.400    105.368 3.4838  104.723 3.4724  0.6447144      4.918793 
1 1 1 0   -24 8  o 76.429  2.1390  785.656   43.763    819.998   62.100    751.776   61.681    78.095  2.9688  74.764  3.0801  3.330421       4.277968 
1 1 1 0   -24 9  o 46.423  1.9734  290.622   24.421    289.103   34.224    292.196   34.858    46.302  2.7724  46.545  2.8091  -0.2435684     3.946801 
1 1 1 0   -24 10 o 13.552  3.0492  24.288    12.458    25.500    17.816    23.129    17.427    13.815  4.3291  13.290  4.2952  0.5247459      6.098329 
1 1 1 0   -24 11 f 155.514 4.5181  3293.23   188.072   3130.69   261.831   3466.48   270.322   151.528 6.4512  159.501 6.3275  -7.973083      9.036285 
1 1 1 0   -24 12 o 77.922  3.0332  812.044   62.666    715.677   83.543    936.027   94.760    72.682  4.3106  83.163  4.2685  -10.48148      6.066404 
1 1 1 0   -24 13 o 82.034  3.1365  914.243   68.212    943.346   91.895    878.530   101.797   83.614  4.1032  80.454  4.7449  3.160278       6.272980 
1 1 1 0   -24 14 o 100.198 2.3723  1351.99   63.640    1387.64   89.648    1315.77   90.359    101.539 3.2962  98.856  3.4125  2.682198       4.744531 
1 1 1 0   -24 15 o 64.936  2.0002  566.520   34.727    520.869   48.444    614.775   49.807    62.240  2.9059  67.632  2.7495  -5.392273      4.000486 
1 1 1 0   -24 16 o 98.216  2.3561  1299.28   61.967    1318.31   87.140    1279.81   88.137    98.951  3.2878  97.481  3.3756  1.469498       4.712148 
1 1 1 0   -24 17 o 88.005  2.2009  1042.51   51.874    1045.64   72.884    1039.30   73.846    88.143  3.0872  87.868  3.1377  0.2750015      4.401777 
1 1 1 0   -24 18 o 104.571 2.4301  1474.07   68.062    1476.29   95.816    1471.80   96.697    104.654 3.4182  104.488 3.4551  0.1664734      4.860193 
1 1 1 0   -24 19 o 59.000  1.9166  468.110   30.255    439.203   42.380    498.155   43.206    57.137  2.7692  60.862  2.6503  -3.725483      3.833120 
1 1 1 0   -24 20 o 59.081  1.9454  470.279   30.745    495.624   43.324    444.566   43.638    60.696  2.6649  57.467  2.8350  3.228531       3.890883 
1 1 1 0   -24 21 o 94.058  2.2820  1193.60   57.468    1151.14   81.043    1236.54   81.505    92.365  3.2758  95.751  3.1780  -3.385757      4.564044 
1 1 1 0   -24 22 o 80.932  2.1262  883.505   46.077    906.771   65.126    860.185   65.199    82.007  2.9649  79.857  3.0482  2.149681       4.252310 
1 1 1 0   -24 23 f 16.319  2.9756  37.348    13.111    42.276    19.118    32.972    18.015    17.299  4.1740  15.340  4.2421  1.958511       5.951246 
1 1 1 0   -24 24 o 66.111  2.0249  590.095   35.845    581.624   51.098    598.302   50.296    65.636  2.9066  66.586  2.8201  -0.9500351     4.049828 
1 1 1 0   -24 25 f 8.9869  2.6530  -0.2494   11.208    -10.6306  16.138    9.4232    15.578    7.6864  3.5121  10.287  3.9774  -2.600915      5.306095 
1 1 1 0   -24 26 o 37.302  2.0109  189.680   19.879    181.320   28.806    197.281   27.468    36.484  2.9736  38.119  2.7079  -1.634899      4.021801 
1 1 1 0   -24 27 o 34.664  2.0598  163.617   18.904    167.452   27.811    160.323   25.774    35.026  2.9932  34.301  2.8306  0.7245178      4.119624 
1 1 1 0   -24 28 o 21.921  2.5992  67.667    14.622    63.870    21.663    70.845    19.818    21.271  3.9477  22.570  3.3823  -1.299095      5.198465 
1 1 1 0   -24 29 o 26.883  2.3328  99.872    16.400    100.643   24.115    99.210    22.370    26.950  3.4175  26.815  3.1763  0.1349430      4.665663 
1 1 1 0   -24 30 o 30.014  2.2717  123.859   17.949    131.784   26.262    116.911   24.589    30.920  3.2182  29.107  3.2071  1.812714       4.543395 
1 1 1 0   -24 31 o 42.601  2.1022  248.870   23.793    239.287   34.207    257.853   33.118    41.768  3.0793  43.434  2.8627  -1.666313      4.204452 
1 1 1 0   -24 32 o 48.128  2.1176  318.225   27.095    300.892   38.894    334.569   37.767    46.800  3.1207  49.456  2.8633  -2.656353      4.235219 
1 1 1 0   -24 33 o 22.857  2.9408  75.135    17.302    71.221    25.044    78.709    23.932    22.200  4.3673  23.513  3.9394  -1.312441      5.881546 
1 1 1 0   -24 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -24 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -24 36 o 8.6601  2.7825  -11.5960  14.376    -2.2342   19.999    -21.6076  20.681    9.4577  4.1408  7.8625  3.7179  1.595171       5.564959 
1 1 1 0   -24 37 o 41.835  2.3673  246.513   26.278    261.481   38.005    232.801   36.375    43.074  3.3197  40.596  3.3759  2.477577       4.734647 
1 1 1 0   -24 38 o 17.382  2.9596  41.053    17.540    90.414    25.079    -6.2116   24.541    24.833  3.8989  9.9312  4.4537  14.90152       5.919237 
1 1 1 0   -24 39 f 22.244  3.5069  77.651    20.342    81.707    29.648    74.044    27.961    22.782  4.9962  21.706  4.9226  1.076435       7.013862 
1 1 1 0   -24 40 o 13.793  2.8944  16.853    16.590    61.127    22.720    -33.7085  24.280    19.814  4.3960  7.7716  3.7662  12.04250       5.788715 
1 1 1 0   -24 41 o 31.634  2.9116  152.829   24.004    166.044   34.244    140.064   33.658    33.157  3.9326  30.112  4.2947  3.044256       5.823210 
1 1 1 0   -24 42 o 21.149  3.5829  78.283    21.137    106.022   28.914    46.439    30.979    25.977  4.3063  16.320  5.7274  9.657425       7.165715 
1 1 1 0   -24 43 o 21.541  3.7189  81.607    22.375    50.831    31.457    113.124   31.834    16.744  5.7773  26.337  4.6843  -9.593071      7.437735 
1 1 1 0   -24 44 o 18.682  6.2351  68.758    36.601    68.758    36.601    0.0000    0.0000    18.682  6.2351  ?       ?       ?              ?        
1 1 1 0   -24 45 o 14.977  3.7329  37.510    21.212    7.7229    30.515    65.359    29.506    11.315  5.0275  18.639  5.5194  -7.323548      7.465879 
1 1 1 0   -24 46 o 13.017  3.7117  25.940    21.156    46.071    29.926    5.8301    29.910    15.200  5.5916  10.834  4.8828  4.365536       7.423452 
1 1 1 0   -24 47 o 16.077  4.1473  59.785    24.194    74.923    33.429    43.133    35.060    18.154  5.9540  14.001  5.7750  4.153612       8.294604 
1 1 1 0   -23 1  o 115.474 2.6391  1797.46   81.608    1769.82   116.016   1824.52   114.817   114.586 3.7801  116.362 3.6839  -1.776047      5.278254 
1 1 1 0   -23 2  o 146.122 3.0602  2881.84   119.765   2929.85   170.185   2834.73   168.573   147.331 4.3126  144.912 4.3430  2.419220       6.120488 
1 1 1 0   -23 3  o 130.627 4.0123  2312.41   140.321   2253.10   194.923   2376.20   202.161   128.898 5.6458  132.356 5.7025  -3.457626      8.024590 
1 1 1 0   -23 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -23 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -23 6  o 151.331 6.5660  3112.21   266.144   3112.21   266.144   0.0000    0.0000    151.331 6.5660  ?       ?       ?              ?        
1 1 1 0   -23 7  o 117.058 2.6122  1843.29   81.899    1856.69   116.266   1830.09   115.386   117.480 3.6949  116.635 3.6935  0.8444366      5.224346 
1 1 1 0   -23 8  o 43.869  1.9499  259.452   22.789    263.467   32.033    255.337   32.429    44.219  2.7178  43.520  2.7967  0.6981888      3.899740 
1 1 1 0   -23 9  o 66.023  2.0084  585.263   35.502    562.810   49.955    608.175   50.464    64.741  2.8808  67.305  2.7993  -2.563568      4.016805 
1 1 1 0   -23 10 o 173.670 3.4721  4070.17   161.499   4131.69   228.514   4008.79   228.275   174.990 4.8754  172.350 4.9449  2.640564       6.944177 
1 1 1 0   -23 11 o 90.704  2.2405  1105.38   54.430    1110.14   76.628    1100.54   77.327    90.903  3.1472  90.506  3.1898  0.3976746      4.481016 
1 1 1 0   -23 12 o 84.124  2.1636  950.461   48.748    934.423   68.491    966.926   69.397    83.405  3.0659  84.844  3.0537  -1.439156      4.327240 
1 1 1 0   -23 13 o 132.348 2.8007  2358.24   99.265    2400.20   140.064   2315.88   140.704   133.539 3.9159  131.158 4.0052  2.381729       5.601383 
1 1 1 0   -23 14 o 67.361  1.9952  608.846   35.984    586.942   50.141    632.108   51.672    66.112  2.8315  68.610  2.8117  -2.497833      3.990416 
1 1 1 0   -23 15 o 124.335 2.6955  2080.76   89.766    2059.79   126.424   2102.09   127.480   123.702 3.8156  124.967 3.8085  -1.264938      5.391078 
1 1 1 0   -23 16 o 145.922 3.0368  2870.98   118.693   2851.12   167.380   2891.07   168.338   145.414 4.2974  146.430 4.2920  -1.016495      6.073649 
1 1 1 0   -23 17 o 74.675  2.8857  753.976   57.319    752.241   84.379    755.463   78.106    74.566  4.2423  74.783  3.9129  -0.2163696     5.771323 
1 1 1 0   -23 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -23 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -23 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -23 21 o 84.021  2.1590  950.495   48.561    984.568   68.594    916.257   68.759    85.539  2.9939  82.502  3.1115  3.036430       4.317975 
1 1 1 0   -23 22 o 101.624 2.3725  1392.29   64.564    1430.99   91.533    1353.98   91.084    103.037 3.3166  100.211 3.3934  2.825829       4.745009 
1 1 1 0   -23 23 o 55.683  1.9316  417.890   28.752    410.463   40.886    425.156   40.440    55.154  2.7766  56.211  2.6860  -1.057354      3.863115 
1 1 1 0   -23 24 o 128.628 2.7874  2241.09   96.016    2299.84   136.234   2183.11   135.343   130.317 3.9030  126.939 3.9806  3.378296       5.574832 
1 1 1 0   -23 25 o 119.071 2.6566  1921.04   84.724    1931.18   120.394   1911.10   119.248   119.379 3.7652  118.762 3.7487  0.6162491      5.313171 
1 1 1 0   -23 26 o 46.432  1.9461  291.336   24.058    314.043   34.739    270.407   33.350    48.183  2.7027  44.682  2.8008  3.500877       3.892122 
1 1 1 0   -23 27 o 24.304  2.5782  85.314    15.489    56.712    22.389    111.569   21.450    20.008  4.3054  28.601  2.8375  -8.592476      5.156328 
1 1 1 0   -23 28 o 28.179  2.2798  108.583   16.848    119.865   24.714    98.789    23.027    29.569  3.1699  26.789  3.2775  2.779890       4.559677 
1 1 1 0   -23 29 o 70.026  2.1025  666.187   39.358    634.394   56.480    696.199   54.876    68.366  3.0844  71.686  2.8580  -3.320358      4.204938 
1 1 1 0   -23 30 o 25.927  2.4973  95.100    16.479    75.656    23.824    112.935   22.817    23.173  3.9818  28.681  3.0154  -5.507595      4.994701 
1 1 1 0   -23 31 o 20.137  2.9244  57.820    15.241    59.457    21.907    56.283    21.217    20.416  4.1476  19.858  4.1239  0.5584106      5.848813 
1 1 1 0   -23 32 o 44.888  2.0974  275.408   25.059    289.806   35.964    261.822   34.936    46.043  2.9314  43.733  3.0006  2.309925       4.194849 
1 1 1 0   -23 33 f 32.800  2.3559  149.089   20.385    142.499   28.972    155.551   28.687    32.043  3.4289  33.556  3.2316  -1.513332      4.711749 
1 1 1 0   -23 34 o 65.280  2.2362  586.760   38.911    542.023   55.386    630.364   54.679    62.702  3.3096  67.859  3.0083  -5.156803      4.472497 
1 1 1 0   -23 35 o 43.472  2.3278  262.433   26.666    305.297   38.281    222.031   37.165    47.047  3.0544  39.898  3.5135  7.148090       4.655573 
1 1 1 0   -23 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -23 37 o 37.847  2.4406  202.275   24.170    238.649   34.643    167.774   33.739    41.348  3.1518  34.346  3.7273  7.001526       4.881222 
1 1 1 0   -23 38 o 31.027  2.9444  143.200   22.807    101.226   32.290    184.986   32.217    25.900  4.8322  36.153  3.3657  -10.25253      5.888854 
1 1 1 0   -23 39 f 14.509  3.5737  29.391    17.524    18.248    24.454    41.154    25.125    12.686  4.9615  16.331  5.1448  -3.644361      7.147421 
1 1 1 0   -23 40 f 8.9112  2.8838  -14.5272  15.793    -27.8487  21.471    1.1754    23.311    7.5118  3.6156  10.311  4.4936  -2.798903      5.767586 
1 1 1 0   -23 41 o 12.757  3.4610  20.455    17.119    30.454    23.690    9.5303    24.764    14.154  5.0047  11.361  4.7818  2.793242       6.921907 
1 1 1 0   -23 42 o 31.259  3.0185  151.069   24.592    144.033   34.402    158.422   35.168    30.437  4.3430  32.081  4.1931  -1.643967      6.036901 
1 1 1 0   -23 43 o 7.8515  2.6451  -24.3939  15.817    -9.8771   21.353    -42.0421  23.544    8.6193  3.9755  7.0837  3.4901  1.535653       5.290123 
1 1 1 0   -23 44 o 24.030  3.8019  100.464   23.857    99.620    33.481    101.334   34.004    23.949  5.3539  24.112  5.3994  -0.1627617     7.603819 
1 1 1 0   -23 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -23 46 o 9.0996  3.0148  -17.7829  18.718    -36.3384  25.283    4.7203    27.843    7.5407  3.6954  10.659  4.7644  -3.117861      6.029563 
1 1 1 0   -23 47 o 9.5952  3.1500  -4.8687   19.392    -3.6334   26.341    -6.3303   28.653    9.5354  4.4042  9.6550  4.5049  -0.1195402     6.300080 
1 1 1 0   -22 1  o 114.929 5.4433  1786.00   167.563   1786.00   167.563   0.0000    0.0000    114.929 5.4433  ?       ?       ?              ?        
1 1 1 0   -22 2  o 151.159 3.1304  3077.88   126.727   3148.65   179.986   3008.30   178.463   152.888 4.3952  149.430 4.4588  3.458694       6.260890 
1 1 1 0   -22 3  o 205.486 4.0746  5707.78   224.260   5715.25   317.905   5700.38   316.404   205.617 5.7723  205.356 5.7524  0.2609711      8.149194 
1 1 1 0   -22 4  o 134.838 2.8654  2445.43   103.473   2504.85   146.987   2387.05   145.686   136.466 4.0213  133.210 4.0831  3.256302       5.730854 
1 1 1 0   -22 5  o 201.315 3.9940  5472.00   215.352   5544.76   305.303   5399.96   303.810   202.654 5.6246  199.976 5.6720  2.677277       7.987918 
1 1 1 0   -22 6  o 54.844  1.9191  403.576   28.191    403.052   40.010    404.093   39.727    54.809  2.7254  54.880  2.7026  -0.7160568E-01 3.838209 
1 1 1 0   -22 7  o 114.333 2.5663  1756.27   78.590    1760.48   111.462   1752.10   110.828   114.468 3.6354  114.197 3.6233  0.2717667      5.132673 
1 1 1 0   -22 8  o 52.037  1.9306  364.398   26.802    350.814   37.860    378.045   37.947    51.058  2.7788  53.017  2.6810  -1.958588      3.861290 
1 1 1 0   -22 9  o 143.790 3.0160  2781.19   116.147   2825.93   164.335   2736.53   164.178   144.950 4.2328  142.629 4.2975  2.320511       6.031985 
1 1 1 0   -22 10 o 235.663 4.5259  7511.13   285.681   7493.19   404.007   7529.07   404.022   235.378 6.4082  235.947 6.3930  -0.5683594     9.051766 
1 1 1 0   -22 11 o 170.745 3.3837  3926.26   154.742   3962.95   218.668   3889.45   219.008   171.549 4.7589  169.941 4.8114  1.608429       6.767356 
1 1 1 0   -22 12 f 76.222  2.0585  779.606   42.019    775.417   58.814    783.973   60.052    76.014  2.8887  76.429  2.9334  -0.4157639     4.116992 
1 1 1 0   -22 13 o 91.169  2.2094  1115.68   53.948    1099.35   75.713    1132.51   76.887    90.491  3.1238  91.846  3.1254  -1.354408      4.418812 
1 1 1 0   -22 14 o 136.693 2.8716  2512.92   105.129   2468.46   148.117   2558.06   149.238   135.472 4.0820  137.915 4.0400  -2.443008      5.743157 
1 1 1 0   -22 15 o 142.589 2.9624  2735.67   113.141   2729.75   159.590   2741.65   160.424   142.435 4.1831  142.743 4.1959  -0.3081360     5.924869 
1 1 1 0   -22 16 o 46.038  1.9095  285.487   23.402    264.406   32.847    307.217   33.350    44.298  2.7825  47.778  2.6159  -3.480194      3.819058 
1 1 1 0   -22 17 o 142.022 2.9769  2715.81   113.223   2763.38   159.780   2667.84   160.467   143.279 4.1634  140.765 4.2560  2.514465       5.953788 
1 1 1 0   -22 18 o 110.006 2.4786  1627.14   73.023    1651.01   102.979   1602.99   103.563   110.822 3.4692  109.190 3.5411  1.632050       4.957277 
1 1 1 0   -22 19 o 93.380  2.2256  1171.90   55.658    1193.43   78.565    1150.20   78.859    94.245  3.1123  92.515  3.1823  1.729324       4.451278 
1 1 1 0   -22 20 o 91.827  2.2471  1133.67   55.256    1165.20   78.214    1102.26   78.073    93.107  3.1363  90.548  3.2191  2.558563       4.494278 
1 1 1 0   -22 21 o 88.474  2.5902  1045.23   59.061    1022.41   73.681    1086.25   98.782    87.197  3.1547  89.751  4.1091  -2.554466      5.180479 
1 1 1 0   -22 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -22 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -22 24 o 58.416  1.9780  460.973   30.793    426.575   44.023    493.924   43.088    56.224  2.9334  60.608  2.6542  -4.383812      3.955997 
1 1 1 0   -22 25 o 104.296 2.4543  1468.26   68.552    1463.59   97.630    1472.80   96.280    104.126 3.5005  104.467 3.4409  -0.3411179     4.908510 
1 1 1 0   -22 26 o 30.463  2.1813  128.574   17.196    106.863   25.148    147.638   23.565    27.920  3.4352  33.006  2.6890  -5.085279      4.362500 
1 1 1 0   -22 27 o 42.038  1.9995  238.568   22.344    257.243   32.659    222.134   30.637    43.589  2.8123  40.487  2.8431  3.101631       3.999061 
1 1 1 0   -22 28 o 85.152  2.2357  980.906   50.983    980.195   72.761    981.591   71.459    85.114  3.1916  85.191  3.1317  -0.7678223E-01 4.471440 
1 1 1 0   -22 29 o 45.364  2.0179  278.978   24.368    297.413   35.072    261.773   33.882    46.826  2.8093  43.902  2.8977  2.924095       4.035885 
1 1 1 0   -22 30 f 18.366  2.8740  47.921    14.569    77.793    21.109    20.747    20.134    23.680  3.4279  13.052  4.6139  10.62785       5.747924 
1 1 1 0   -22 31 o 93.926  2.4076  1203.79   60.516    1154.99   86.037    1251.58   85.135    91.997  3.4916  95.855  3.3159  -3.857178      4.815234 
1 1 1 0   -22 32 o 39.781  2.1742  216.968   22.950    207.397   32.805    226.143   32.119    38.886  3.1774  40.675  2.9686  -1.789036      4.348369 
1 1 1 0   -22 33 o 37.421  2.2906  193.518   22.603    173.846   32.247    212.519   31.692    35.467  3.4376  39.374  3.0282  -3.906750      4.581139 
1 1 1 0   -22 34 o 12.474  3.2208  17.729    14.331    24.740    19.669    9.7935    20.924    13.614  4.5706  11.335  4.5392  2.279868       6.441610 
1 1 1 0   -22 35 o 38.267  2.2939  202.577   23.274    200.844   33.440    204.206   32.413    38.083  3.3113  38.452  3.1755  -0.3698692     4.587866 
1 1 1 0   -22 36 o 12.464  3.0505  8.5815    15.247    -19.2671  20.711    41.533    22.529    8.1004  3.7959  16.828  4.7763  -8.727283      6.100968 
1 1 1 0   -22 37 o 35.429  6.4858  194.916   59.280    0.0000    0.0000    194.916   59.280    ?       ?       35.429  6.4858  ?              ?        
1 1 1 0   -22 38 o 27.241  2.9599  109.721   20.284    79.792    28.668    139.724   28.703    23.063  4.7971  31.419  3.4685  -8.356424      5.919703 
1 1 1 0   -22 39 o 23.947  3.2751  87.911    20.119    63.388    28.664    111.722   28.245    20.166  5.2541  27.728  3.9116  -7.562929      6.550294 
1 1 1 0   -22 40 o 14.128  3.6136  27.284    17.783    19.434    24.547    35.953    25.796    12.829  4.9837  15.427  5.2340  -2.598058      7.227179 
1 1 1 0   -22 41 o 17.786  3.7004  51.364    18.932    57.083    26.332    45.244    27.240    18.821  5.0975  16.752  5.3655  2.068983       7.400855 
1 1 1 0   -22 42 o 15.790  3.6195  39.716    18.704    57.038    25.960    21.019    26.970    18.611  5.0701  12.969  5.1671  5.641688       7.239058 
1 1 1 0   -22 43 o 12.277  3.4417  9.4809    18.704    -15.3678  25.082    40.609    28.073    8.9886  4.2010  15.565  5.4528  -6.576557      6.883424 
1 1 1 0   -22 44 o 11.714  3.2547  6.0146    17.807    39.354    25.340    -26.5091  25.028    15.238  5.1875  8.1893  3.9322  7.048948       6.509398 
1 1 1 0   -22 45 o 14.376  3.8672  34.472    20.582    34.925    28.130    33.950    30.195    14.420  5.3988  14.331  5.5384  0.8952045E-01  7.734401 
1 1 1 0   -22 46 o 11.193  3.4724  7.2941    20.075    -2.0713   27.269    18.376    29.663    10.115  4.5999  12.272  5.2029  -2.156597      6.944739 
1 1 1 0   -22 47 o 17.129  4.0352  58.993    21.938    47.914    30.160    71.440    31.969    15.493  5.6264  18.765  5.7858  -3.271761      8.070393 
1 1 1 0   -22 48 o 12.322  3.7313  25.701    22.210    32.703    30.379    17.662    32.552    13.004  5.3709  11.641  5.1812  1.363605       7.462676 
1 1 1 0   -21 1  o 76.568  2.0933  786.593   42.923    805.594   61.199    768.196   60.219    77.479  2.9490  75.658  2.9716  1.820953       4.186519 
1 1 1 0   -21 2  o 77.960  2.0821  815.424   43.474    827.646   61.918    803.542   61.053    78.536  2.9435  77.384  2.9456  1.152168       4.164180 
1 1 1 0   -21 3  o 82.190  2.1654  906.410   47.659    934.082   67.801    879.382   67.007    83.431  3.0340  80.949  3.0904  2.482765       4.330840 
1 1 1 0   -21 4  o 94.475  2.3183  1197.96   58.660    1220.36   83.329    1175.95   82.591    95.352  3.2627  93.598  3.2944  1.753342       4.636637 
1 1 1 0   -21 5  o 171.240 3.4537  3946.70   158.399   3913.56   224.495   3979.56   223.527   170.519 4.9152  171.961 4.8530  -1.442535      6.907335 
1 1 1 0   -21 6  o 27.731  2.1101  104.550   15.389    111.230   21.655    97.733    21.874    28.653  2.8597  26.809  3.1036  1.843969       4.220201 
1 1 1 0   -21 7  o 123.124 2.6635  2036.09   87.839    2036.85   124.475   2035.33   123.971   123.146 3.7738  123.102 3.7598  0.4443359E-01  5.327060 
1 1 1 0   -21 8  o 99.009  2.3736  1316.18   62.916    1364.06   89.048    1268.46   88.904    100.811 3.2978  97.206  3.4146  3.604591       4.747117 
1 1 1 0   -21 9  o 115.153 2.5529  1780.58   78.737    1756.06   111.157   1805.27   111.545   114.355 3.6290  115.950 3.5916  -1.594559      5.105834 
1 1 1 0   -21 10 o 193.796 3.7777  5060.05   196.035   4912.15   276.926   5208.62   277.547   190.941 5.4147  196.650 5.2693  -5.709091      7.555440 
1 1 1 0   -21 11 o 250.202 4.7715  8463.38   319.764   8517.33   452.025   8409.34   452.405   251.009 6.7233  249.395 6.7725  1.613449       9.543078 
1 1 1 0   -21 12 o 104.444 2.3690  1464.13   66.244    1404.68   93.022    1525.31   94.358    102.290 3.3952  106.598 3.3048  -4.308334      4.738037 
1 1 1 0   -21 13 o 158.819 3.2074  3393.08   136.434   3414.64   192.557   3371.34   193.338   159.329 4.5121  158.308 4.5596  1.020737       6.414719 
1 1 1 0   -21 14 o 83.006  2.1105  924.340   46.916    904.489   65.842    944.815   66.868    82.100  2.9941  83.912  2.9751  -1.811279      4.220899 
1 1 1 0   -21 15 o 81.853  2.0992  899.691   45.991    925.758   64.529    872.780   65.566    83.063  2.9004  80.644  3.0354  2.418991       4.198327 
1 1 1 0   -21 16 o 145.297 2.9673  2839.44   115.455   2896.73   162.984   2781.72   163.575   146.776 4.1457  143.818 4.2463  2.957306       5.934507 
1 1 1 0   -21 17 o 38.872  1.9392  203.869   20.038    214.684   28.353    193.077   28.324    39.914  2.6674  37.829  2.8155  2.085381       3.878442 
1 1 1 0   -21 18 o 140.584 2.9557  2658.67   111.297   2636.96   157.192   2680.49   157.604   140.007 4.1917  141.161 4.1683  -1.154480      5.911470 
1 1 1 0   -21 19 o 105.544 2.3959  1496.51   67.731    1503.50   95.792    1489.52   95.780    105.791 3.3806  105.297 3.3960  0.4942780      4.791780 
1 1 1 0   -21 20 o 140.960 2.9476  2674.53   111.288   2662.75   157.457   2686.29   157.315   140.648 4.1797  141.272 4.1574  -0.6242371     5.895229 
1 1 1 0   -21 21 o 71.115  2.0238  678.984   38.545    692.873   54.822    665.404   54.205    71.835  2.8492  70.395  2.8748  1.439980       4.047551 
1 1 1 0   -21 22 o 148.485 3.0916  2972.63   122.956   2975.28   174.396   2970.02   173.381   148.548 4.3831  148.422 4.3613  0.1264648      6.183228 
1 1 1 0   -21 23 o 91.355  2.2418  1121.91   54.850    1140.42   78.316    1104.09   76.843    92.094  3.1749  90.617  3.1660  1.477478       4.483686 
1 1 1 0   -21 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -21 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -21 26 o 67.623  2.0414  615.044   36.956    627.347   53.307    603.661   51.279    68.270  2.9152  66.975  2.8585  1.294724       4.082782 
1 1 1 0   -21 27 o 57.628  2.0165  448.510   31.012    433.995   44.745    461.929   43.021    56.679  2.9576  58.578  2.7420  -1.898495      4.033087 
1 1 1 0   -21 28 o 44.128  2.0075  264.368   23.510    251.803   34.247    275.566   32.331    43.105  2.9846  45.150  2.6856  -2.045731      4.015001 
1 1 1 0   -21 29 o 84.564  2.2386  966.474   50.691    996.656   72.509    937.623   70.894    85.858  3.1530  83.270  3.1786  2.587914       4.477148 
1 1 1 0   -21 30 o 69.848  2.1128  659.628   39.517    678.292   56.689    641.987   55.115    70.808  2.9890  68.887  2.9870  1.920540       4.225691 
1 1 1 0   -21 31 o 71.886  2.1378  700.484   41.157    701.907   58.658    699.105   57.763    71.952  3.0437  71.820  3.0027  0.1320343      4.275545 
1 1 1 0   -21 32 o 27.859  2.5955  110.550   18.166    80.385    26.043    139.137   25.352    23.844  4.2328  31.875  3.0049  -8.031599      5.190990 
1 1 1 0   -21 33 o 32.618  2.3828  148.171   20.188    121.989   28.700    173.812   28.402    29.613  3.6990  35.623  3.0048  -6.009254      4.765603 
1 1 1 0   -21 34 o 86.246  2.3757  1018.99   54.840    980.280   77.873    1057.08   77.241    84.576  3.4376  87.916  3.2801  -3.340271      4.751446 
1 1 1 0   -21 35 o 66.294  2.2124  601.047   39.241    640.416   56.151    563.464   54.862    68.444  3.0629  64.144  3.1932  4.300354       4.424716 
1 1 1 0   -21 36 o 28.410  2.6492  113.997   19.398    135.017   27.772    93.976    27.104    31.138  3.3844  25.681  4.0765  5.456314       5.298340 
1 1 1 0   -21 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -21 38 o 26.048  3.0994  98.962    20.846    101.470   29.253    96.375    29.712    26.439  4.2768  25.657  4.4870  0.7822762      6.198732 
1 1 1 0   -21 39 o 21.793  3.3319  71.727    19.008    54.081    26.559    90.254    27.215    18.789  5.1322  24.797  4.2504  -6.008017      6.663732 
1 1 1 0   -21 40 o 22.968  3.3216  81.948    19.734    60.074    28.539    101.987   27.316    19.548  5.3120  26.387  3.9893  -6.838932      6.643214 
1 1 1 0   -21 41 o 25.570  3.1274  98.946    20.634    102.781   29.740    95.385    28.652    26.059  4.4186  25.080  4.4269  0.9789162      6.254739 
1 1 1 0   -21 42 f 28.053  3.1309  121.016   22.689    129.094   31.954    112.801   32.222    29.178  4.2105  26.927  4.6349  2.251114       6.261803 
1 1 1 0   -21 43 o 28.768  3.2774  131.240   24.044    105.866   33.727    157.466   34.288    25.396  5.1347  32.140  4.0744  -6.744364      6.554819 
1 1 1 0   -21 44 f 13.769  3.6874  28.783    18.509    26.747    24.383    31.552    28.433    13.336  5.0198  14.201  5.4028  -0.8649254     7.374853 
1 1 1 0   -21 45 o 22.797  3.7614  90.028    22.568    82.728    31.382    97.847    32.478    21.701  5.4163  23.893  5.2208  -2.192785      7.522840 
1 1 1 0   -21 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -21 47 o 20.871  4.1707  87.337    24.738    97.527    33.574    75.235    36.590    22.825  5.5461  18.916  6.2304  3.908632       8.341302 
1 1 1 0   -21 48 o 11.697  3.1429  22.946    14.254    3.4990    28.497    29.435    16.461    10.344  4.7034  13.051  4.1699  -2.706273      6.285720 
1 1 1 0   -20 1  o 150.587 3.1453  3048.69   126.859   3041.27   180.062   3056.01   178.756   150.402 4.4697  150.772 4.4264  -0.3699036     6.290576 
1 1 1 0   -20 2  o 265.539 5.0724  9535.85   360.767   9550.49   510.987   9521.30   509.418   265.740 7.1790  265.338 7.1678  0.4023438      10.14472 
1 1 1 0   -20 3  o 127.137 2.7908  2170.93   95.031    2205.16   134.967   2137.27   133.827   128.132 3.9326  126.142 3.9609  1.990547       5.581613 
1 1 1 0   -20 4  o 167.231 3.4348  3761.81   153.846   3805.57   218.221   3718.56   216.928   168.200 4.8437  166.262 4.8712  1.938217       6.869517 
1 1 1 0   -20 5  o 159.036 3.2208  3400.39   137.188   3458.31   194.515   3343.08   193.514   160.386 4.5279  157.685 4.5818  2.701874       6.441628 
1 1 1 0   -20 6  o 170.827 3.4299  3925.44   156.938   3948.59   222.301   3902.43   221.589   171.330 4.8442  170.324 4.8572  1.006424       6.859888 
1 1 1 0   -20 7  o 190.137 3.7523  4867.75   191.064   4976.59   270.553   4759.47   269.859   192.268 5.2536  188.007 5.3589  4.260803       7.504522 
1 1 1 0   -20 8  o 121.317 2.6679  1976.40   86.693    1977.60   122.513   1975.19   122.693   121.354 3.7691  121.279 3.7770  0.7489777E-01  5.335880 
1 1 1 0   -20 9  o 81.004  2.0858  880.767   45.226    912.218   63.713    848.826   64.208    82.466  2.8845  79.543  3.0137  2.922737       4.171622 
1 1 1 0   -20 10 o 205.094 4.0019  5668.21   219.842   5638.98   310.633   5697.55   311.173   204.562 5.6694  205.626 5.6498  -1.063919      8.003888 
1 1 1 0   -20 11 o 117.390 2.5604  1850.13   80.504    1829.54   113.375   1871.07   114.331   116.730 3.6261  118.049 3.6159  -1.318260      5.120893 
1 1 1 0   -20 12 o 190.617 3.7190  4892.83   189.876   4895.47   268.131   4890.16   268.920   190.671 5.2502  190.564 5.2686  0.1070251      7.437900 
1 1 1 0   -20 13 o 235.135 4.5039  7464.92   283.648   7393.95   400.708   7536.20   401.572   234.008 6.3931  236.263 6.3457  -2.254623      9.007717 
1 1 1 0   -20 14 o 116.409 2.5236  1819.67   78.678    1833.39   110.825   1805.73   111.716   116.853 3.5408  115.964 3.5967  0.8892975      5.047143 
1 1 1 0   -20 15 o 70.840  1.9569  673.224   37.126    679.143   52.222    667.175   52.790    71.156  2.7400  70.524  2.7946  0.6319656      3.913760 
1 1 1 0   -20 16 o 124.989 2.6762  2099.87   89.517    2196.74   126.472   2002.62   126.720   127.889 3.6921  122.090 3.8750  5.799118       5.352345 
1 1 1 0   -20 17 o 84.956  2.1306  968.891   48.463    995.205   68.282    942.181   68.795    86.122  2.9601  83.790  3.0653  2.331444       4.261257 
1 1 1 0   -20 18 o 120.128 2.6249  1938.66   84.457    1949.23   119.386   1928.06   119.495   120.457 3.7002  119.799 3.7240  0.6582413      5.249746 
1 1 1 0   -20 19 o 80.495  2.0674  869.493   44.572    882.943   63.184    856.169   62.886    81.116  2.9081  79.875  2.9394  1.241058       4.134878 
1 1 1 0   -20 20 o 69.280  1.9828  643.993   36.791    651.972   52.283    636.166   51.782    69.705  2.8003  68.854  2.8077  0.8504715      3.965508 
1 1 1 0   -20 21 o 158.664 3.2337  3390.02   137.416   3441.02   194.929   3339.64   193.748   159.855 4.5526  157.474 4.5934  2.380356       6.467314 
1 1 1 0   -20 22 f 172.713 3.4797  4022.64   160.967   4079.29   228.268   3966.60   227.020   173.927 4.8999  171.498 4.9422  2.429321       6.959445 
1 1 1 0   -20 23 o 24.564  2.5052  83.029    15.950    78.489    23.066    87.189    22.079    23.875  3.7289  25.252  3.3467  -1.377127      5.010480 
1 1 1 0   -20 24 o 44.280  1.9892  263.579   23.424    286.831   34.125    242.860   32.212    46.132  2.7746  42.427  2.8511  3.705105       3.978340 
1 1 1 0   -20 25 o 138.307 2.9273  2579.74   108.383   2697.90   154.361   2464.84   152.216   141.446 4.0743  135.168 4.2043  6.277588       5.854631 
1 1 1 0   -20 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -20 27 o 127.912 2.8024  2210.75   96.001    2191.93   136.541   2229.16   135.004   127.363 4.0025  128.462 3.9236  -1.099434      5.604856 
1 1 1 0   -20 28 o 50.554  2.0418  345.274   27.496    345.056   39.922    345.471   37.925    50.528  2.9627  50.581  2.8104  -0.5336380E-01 4.083633 
1 1 1 0   -20 29 o 29.722  2.3616  121.502   18.342    109.973   26.469    132.155   25.442    28.297  3.5717  31.147  3.0904  -2.849657      4.723138 
1 1 1 0   -20 30 o 7.7717  2.5082  -11.7231  11.683    -17.2320  16.137    -5.6554   16.936    7.0696  3.3249  8.4737  3.7561  -1.404114      5.016300 
1 1 1 0   -20 31 o 49.541  2.1030  333.062   27.774    338.793   39.645    327.538   38.923    49.961  2.9761  49.122  2.9723  0.8389168      4.206100 
1 1 1 0   -20 32 o 86.120  2.3197  1007.58   53.506    1011.71   76.159    1003.55   75.188    86.289  3.2951  85.952  3.2659  0.3377228      4.639427 
1 1 1 0   -20 33 o 46.623  2.1040  296.314   26.118    295.832   37.631    296.762   36.278    46.570  3.0334  46.676  2.9164  -0.1054611     4.207960 
1 1 1 0   -20 34 o 70.455  2.2247  676.557   41.981    685.879   59.629    667.395   59.115    70.939  3.1382  69.971  3.1542  0.9686050      4.449439 
1 1 1 0   -20 35 o 47.325  2.1958  307.017   27.675    306.612   39.441    307.410   38.844    47.285  3.1318  47.365  3.0785  -0.8032608E-01 4.391510 
1 1 1 0   -20 36 o 52.769  2.2178  382.636   31.190    396.409   44.157    368.923   44.060    53.743  3.0804  51.794  3.1915  1.948784       4.435587 
1 1 1 0   -20 37 o 6.1054  2.9260  -36.7048  10.392    -18.8467  13.714    -60.7878  15.925    6.1054  2.9260  ?       ?       ?              ?        
1 1 1 0   -20 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -20 39 o 78.567  2.4490  862.635   51.536    861.253   72.673    864.033   73.094    78.511  3.4559  78.623  3.4709  -0.1124115     4.897961 
1 1 1 0   -20 40 o 16.310  3.5912  39.945    17.545    32.699    24.726    47.293    24.900    15.043  5.1243  17.576  5.0326  -2.533342      7.182305 
1 1 1 0   -20 41 o 29.154  2.9686  126.166   22.342    142.271   31.702    110.274   31.491    31.235  3.8723  27.074  4.5007  4.161772       5.937248 
1 1 1 0   -20 42 f 17.192  3.7444  47.783    19.077    52.968    26.111    41.845    27.940    18.148  5.1388  16.236  5.4475  1.911644       7.488808 
1 1 1 0   -20 43 o 16.134  3.6368  39.638    19.094    18.360    26.022    64.461    28.106    12.555  5.0499  19.713  5.2349  -7.157788      7.273686 
1 1 1 0   -20 44 o 15.116  3.7523  35.959    19.451    21.831    26.747    51.818    28.338    12.902  5.1439  17.330  5.4642  -4.428632      7.504518 
1 1 1 0   -20 45 o 22.403  3.9342  89.458    23.707    100.790   32.490    76.555    34.668    24.449  5.1252  20.358  5.9702  4.091043       7.868335 
1 1 1 0   -20 46 o 11.846  3.5295  11.877    20.184    27.823    27.302    -7.3435   29.974    13.436  5.2458  10.257  4.7234  3.178846       7.058964 
1 1 1 0   -20 47 o 20.543  3.5167  78.566    18.824    61.319    33.354    86.628    22.803    17.581  5.9517  23.506  3.7477  -5.924862      7.033334 
1 1 1 0   -20 48 o 21.958  3.5525  84.606    19.375    98.072    34.410    78.355    23.444    22.279  5.7331  21.637  4.1967  0.6415405      7.104961 
1 1 1 0   -19 1  o 87.758  2.2096  1033.44   51.927    1020.41   73.894    1046.14   72.985    87.210  3.1634  88.307  3.0857  -1.096237      4.419105 
1 1 1 0   -19 2  o 132.249 2.8193  2349.19   99.856    2327.91   141.812   2370.12   140.630   131.651 4.0216  132.846 3.9522  -1.194916      5.638554 
1 1 1 0   -19 3  o 190.712 3.7693  4895.72   192.540   4874.54   272.896   4916.71   271.694   190.297 5.3540  191.127 5.3073  -0.8298950     7.538697 
1 1 1 0   -19 4  o 133.563 2.8440  2396.17   101.733   2367.38   144.292   2424.63   143.456   132.762 4.0577  134.364 3.9861  -1.602707      5.688053 
1 1 1 0   -19 5  o 152.491 3.1220  3125.08   127.483   3215.16   180.743   3035.90   179.837   154.684 4.3624  150.298 4.4672  4.386154       6.243952 
1 1 1 0   -19 6  o 178.963 3.5856  4308.75   171.875   4287.58   243.300   4329.83   242.837   178.522 5.0882  179.405 5.0535  -0.8829651     7.171300 
1 1 1 0   -19 7  o 63.901  1.9019  547.536   32.552    541.589   45.885    553.563   46.189    63.552  2.6956  64.251  2.6839  -0.6990509     3.803890 
1 1 1 0   -19 8  o 152.501 3.0684  3125.08   125.328   3166.21   177.263   3083.96   177.217   153.508 4.3112  151.494 4.3674  2.013443       6.136813 
1 1 1 0   -19 9  o 86.542  2.1151  1004.71   49.023    1013.25   69.029    996.031   69.632    86.914  2.9652  86.170  3.0169  0.7439194      4.230148 
1 1 1 0   -19 10 o 149.262 3.0412  2993.63   121.586   3000.82   171.667   2986.39   172.231   149.443 4.2887  149.081 4.3132  0.3625031      6.082473 
1 1 1 0   -19 11 o 268.317 5.0713  9731.75   364.459   9666.02   515.049   9797.67   515.797   267.403 7.1911  269.231 7.1526  -1.828156      10.14255 
1 1 1 0   -19 12 o 59.965  1.8494  483.903   29.367    402.156   40.928    570.660   42.163    54.687  2.8035  65.242  2.4128  -10.55460      3.698832 
1 1 1 0   -19 13 o 260.601 4.9696  9180.04   346.873   9259.97   490.289   9099.93   490.816   261.749 6.9932  259.454 7.0627  2.295441       9.939158 
1 1 1 0   -19 14 o 57.418  1.7967  441.872   27.620    423.556   38.647    460.995   39.489    56.202  2.5673  58.635  2.5144  -2.432831      3.593496 
1 1 1 0   -19 15 o 69.294  1.9021  643.989   35.301    644.648   49.656    643.315   50.195    69.331  2.6740  69.258  2.7059  0.7289886E-01  3.804185 
1 1 1 0   -19 16 o 117.398 2.5296  1850.59   79.535    1818.08   112.267   1883.35   112.693   116.361 3.6021  118.436 3.5524  -2.074501      5.059142 
1 1 1 0   -19 17 o 216.484 4.1771  6322.06   242.197   6394.52   342.501   6249.59   342.535   217.733 5.8728  215.234 5.9416  2.499512       8.354225 
1 1 1 0   -19 18 f 21.132  2.4504  61.575    13.377    59.464    19.121    63.598    18.721    20.752  3.5687  21.511  3.3591  -0.7589149     4.900875 
1 1 1 0   -19 19 o 61.616  1.9061  509.350   31.371    560.563   44.878    460.414   43.869    64.649  2.5917  58.583  2.7957  6.065990       3.812191 
1 1 1 0   -19 20 o 49.606  1.9015  330.981   25.168    338.539   35.894    323.672   35.298    50.166  2.6810  49.047  2.6972  1.118607       3.803028 
1 1 1 0   -19 21 o 109.215 2.4722  1601.76   72.314    1625.67   103.080   1578.60   101.474   110.017 3.4980  108.413 3.4945  1.604126       4.944468 
1 1 1 0   -19 22 o 129.624 2.7825  2258.71   96.544    2370.02   137.529   2150.56   135.560   132.781 3.8670  126.467 4.0019  6.313629       5.564940 
1 1 1 0   -19 23 o 14.765  3.1328  29.700    13.380    27.215    19.969    31.724    18.023    14.379  4.5927  15.151  4.2621  -0.7723951     6.265642 
1 1 1 0   -19 24 o 14.823  3.2280  29.245    14.028    32.892    21.034    26.323    18.827    15.554  4.6725  14.092  4.4551  1.462415       6.456000 
1 1 1 0   -19 25 o 24.560  2.6140  83.382    16.562    77.267    24.150    88.810    22.755    23.643  3.9531  25.476  3.4211  -1.832500      5.227939 
1 1 1 0   -19 26 o 138.040 2.9518  2570.76   109.079   2492.47   155.049   2647.48   153.484   135.939 4.2583  140.141 4.0889  -4.202179      5.903606 
1 1 1 0   -19 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -19 28 o 54.771  3.0800  405.697   44.626    380.013   59.869    437.808   66.942    52.840  4.2665  56.703  4.4432  -3.863106      6.159951 
1 1 1 0   -19 29 o 114.964 2.6481  1786.03   81.534    1823.15   115.873   1749.63   114.749   116.152 3.7245  113.775 3.7654  2.377342       5.296223 
1 1 1 0   -19 30 o 56.168  2.0621  426.317   30.923    416.226   44.502    435.739   43.000    55.473  3.0063  56.863  2.8232  -1.390446      4.124155 
1 1 1 0   -19 31 o 78.064  2.2223  823.713   46.463    831.759   66.204    815.902   65.224    78.438  3.1511  77.691  3.1344  0.7474060      4.444534 
1 1 1 0   -19 32 o 99.691  2.4897  1350.09   66.465    1386.54   94.256    1314.05   93.737    101.045 3.4826  98.338  3.5588  2.706841       4.979316 
1 1 1 0   -19 33 o 36.153  2.2581  178.907   21.630    175.081   30.837    182.613   30.348    35.754  3.2557  36.551  3.1300  -0.7966270     4.516263 
1 1 1 0   -19 34 o 50.953  2.1074  353.896   28.631    349.826   40.668    357.895   40.314    50.652  3.0112  51.253  2.9490  -0.6012383     4.214724 
1 1 1 0   -19 35 o 33.439  2.3651  154.988   20.530    188.498   29.480    123.434   28.607    37.095  2.9925  29.783  3.6632  7.311399       4.730155 
1 1 1 0   -19 36 o 22.453  2.9649  72.135    17.156    65.772    24.252    78.510    24.272    21.379  4.3824  23.527  3.9945  -2.148462      5.929702 
1 1 1 0   -19 37 o 54.169  2.2560  404.311   32.497    369.450   45.777    439.725   46.139    51.745  3.3204  56.594  3.0551  -4.848808      4.512071 
1 1 1 0   -19 38 o 23.652  3.0945  81.331    18.839    87.928    26.272    74.348    27.030    24.765  4.1044  22.538  4.6323  2.227152       6.189085 
1 1 1 0   -19 39 o 11.369  3.3547  4.0691    17.827    -12.9429  27.178    16.916    23.617    10.080  4.5871  12.658  4.8965  -2.578410      6.709436 
1 1 1 0   -19 40 o 19.145  3.5308  55.860    18.293    57.431    25.287    54.135    26.495    19.465  4.8639  18.825  5.1195  0.6408310      7.061623 
1 1 1 0   -19 41 o 19.142  3.5395  56.663    18.497    47.367    25.869    66.388    26.458    17.487  5.1654  20.797  4.8405  -3.310177      7.078936 
1 1 1 0   -19 42 o 31.013  2.8388  141.949   23.015    136.443   32.122    147.756   32.992    30.363  4.0509  31.662  3.9781  -1.299561      5.677561 
1 1 1 0   -19 43 o 19.847  3.6307  63.751    19.577    52.973    26.856    75.975    28.600    17.968  5.2504  21.727  5.0161  -3.758789      7.261376 
1 1 1 0   -19 44 o 26.881  3.3735  115.191   23.331    111.353   31.632    119.769   34.550    26.512  4.6225  27.249  4.9146  -0.7366467     6.746916 
1 1 1 0   -19 45 o 8.0524  2.7199  -28.4095  17.320    -8.8218   21.868    -61.3773  28.370    8.8248  4.0530  7.2800  3.6284  1.544750       5.439819 
1 1 1 0   -19 46 o 17.314  3.4165  52.095    16.305    44.279    28.267    55.992    19.961    15.859  5.4763  18.768  4.0865  -2.909182      6.832983 
1 1 1 0   -19 47 o 20.575  5.1303  74.514    28.175    0.0000    0.0000    74.514    28.175    ?       ?       20.575  5.1303  ?              ?        
1 1 1 0   -19 48 f 24.552  3.2852  95.908    19.693    128.964   35.440    81.141    23.687    26.889  5.1076  22.215  4.1330  4.674227       6.570346 
1 1 1 0   -19 49 o 22.046  3.5252  100.307   20.272    69.176    35.273    115.661   24.771    17.220  6.1049  26.872  3.5267  -9.651888      7.050372 
1 1 1 0   -18 1  o 106.979 2.4728  1535.74   70.855    1547.12   100.722   1524.59   99.693    107.371 3.5023  106.587 3.4920  0.7842331      4.945682 
1 1 1 0   -18 2  o 126.283 2.7096  2140.69   91.645    2174.39   130.246   2107.64   128.974   127.268 3.8208  125.297 3.8430  1.970238       5.419157 
1 1 1 0   -18 3  o 44.853  1.7898  270.803   21.390    256.656   30.306    284.846   30.195    43.676  2.6024  46.031  2.4579  -2.354858      3.579679 
1 1 1 0   -18 4  o 169.687 3.3899  3870.35   154.054   3953.32   218.395   3788.18   217.340   171.503 4.7543  167.872 4.8336  3.630447       6.779891 
1 1 1 0   -18 5  o 87.675  2.1487  1030.97   50.458    1028.59   71.370    1033.34   71.347    87.574  3.0426  87.776  3.0347  -0.2026596     4.297307 
1 1 1 0   -18 6  o 159.947 3.2262  3438.11   138.149   3565.68   195.674   3311.32   195.073   162.915 4.4842  156.979 4.6394  5.935806       6.452302 
1 1 1 0   -18 7  o 149.809 3.0525  3014.38   122.480   3036.88   173.180   2991.86   173.246   150.370 4.2998  149.247 4.3338  1.122055       6.104906 
1 1 1 0   -18 8  o 223.848 4.2847  6749.64   256.867   6876.41   363.278   6622.89   363.250   225.962 6.0023  221.734 6.1163  4.228256       8.569469 
1 1 1 0   -18 9  o 148.157 3.0190  2948.18   119.802   2965.93   169.199   2930.33   169.654   148.606 4.2508  147.708 4.2882  0.8984070      6.038034 
1 1 1 0   -18 10 o 93.727  2.1725  1178.19   54.533    1154.91   76.828    1201.82   77.419    92.793  3.0911  94.661  3.0534  -1.867645      4.344930 
1 1 1 0   -18 11 o 66.425  1.8489  591.987   32.870    614.143   46.260    569.395   46.714    67.683  2.5518  65.167  2.6763  2.515793       3.697835 
1 1 1 0   -18 12 o 123.008 2.6294  2031.02   86.632    2029.71   122.231   2032.34   122.803   122.968 3.7111  123.047 3.7260  -0.7859802E-01 5.258824 
1 1 1 0   -18 13 o 168.288 3.3102  3806.93   149.206   3777.82   210.693   3836.21   211.326   167.641 4.6922  168.935 4.6703  -1.293365      6.620335 
1 1 1 0   -18 14 o 137.865 2.8583  2552.72   105.547   2550.87   148.996   2554.59   149.538   137.815 4.0363  137.914 4.0481  -0.9912109E-01 5.716587 
1 1 1 0   -18 15 o 82.780  2.0535  919.245   45.525    931.149   64.164    907.177   64.603    83.321  2.8751  82.239  2.9328  1.081978       4.106987 
1 1 1 0   -18 16 o 217.878 4.1930  6399.60   244.677   6307.28   345.811   6492.15   346.239   216.295 5.9690  219.461 5.8902  -3.166077      8.385926 
1 1 1 0   -18 17 o 168.500 3.3451  3819.06   150.962   3870.22   213.615   3768.02   213.371   169.632 4.7015  167.368 4.7596  2.263641       6.690150 
1 1 1 0   -18 18 o 54.527  1.7979  398.766   26.254    394.212   37.334    403.222   36.928    54.218  2.5708  54.836  2.5142  -0.6176949     3.595868 
1 1 1 0   -18 19 o 97.752  2.2657  1282.36   59.319    1290.60   84.390    1274.30   83.399    98.062  3.2129  97.442  3.1954  0.6201096      4.531397 
1 1 1 0   -18 20 o 83.495  2.1182  935.633   47.356    926.552   67.638    944.364   66.323    83.095  3.0390  83.894  2.9515  -0.7995911     4.236372 
1 1 1 0   -18 21 o 73.772  2.0272  729.635   40.039    748.766   57.676    711.839   55.627    74.704  2.8825  72.840  2.8512  1.863945       4.054363 
1 1 1 0   -18 22 o 95.923  2.3033  1234.41   59.154    1285.28   84.832    1186.26   82.528    97.847  3.2368  93.999  3.2779  3.847656       4.606685 
1 1 1 0   -18 23 o 124.498 2.7189  2083.10   90.653    2092.36   129.361   2074.17   127.076   124.767 3.8709  124.229 3.8190  0.5375595      5.437722 
1 1 1 0   -18 24 o 120.539 2.6528  1952.54   85.638    1991.61   122.220   1914.85   120.032   121.724 3.7487  119.354 3.7547  2.369553       5.305664 
1 1 1 0   -18 25 o 109.554 2.5267  1613.90   74.113    1584.01   105.666   1642.84   103.977   108.548 3.6343  110.559 3.5112  -2.011475      5.053374 
1 1 1 0   -18 26 o 14.657  3.1452  27.225    14.686    44.800    20.547    8.8675    20.999    17.880  4.3351  11.434  4.5580  6.446574       6.290370 
1 1 1 0   -18 27 o 61.951  2.0661  517.365   34.152    489.259   48.919    544.088   47.700    60.259  3.0407  63.643  2.7982  -3.384155      4.132268 
1 1 1 0   -18 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -18 29 o 45.751  3.2918  283.058   39.515    256.685   52.371    317.917   60.210    43.297  4.5857  48.206  4.7239  -4.909134      6.583593 
1 1 1 0   -18 30 o 82.966  2.2649  928.342   50.319    913.641   71.590    942.697   70.741    82.308  3.2473  83.623  3.1584  -1.314293      4.529884 
1 1 1 0   -18 31 f 55.361  2.1410  414.594   31.610    432.891   45.094    396.917   44.323    56.573  2.9865  54.150  3.0685  2.423397       4.281950 
1 1 1 0   -18 32 o 102.841 2.5166  1434.43   69.308    1465.31   97.981    1403.50   98.052    103.963 3.5186  101.718 3.5989  2.244637       5.033169 
1 1 1 0   -18 33 o 21.871  2.8175  67.935    15.763    83.313    22.298    52.572    22.286    24.526  3.4929  19.216  4.4218  5.310066       5.634961 
1 1 1 0   -18 34 o 62.414  2.1596  528.812   36.100    531.029   50.840    526.556   51.269    62.551  3.0345  62.276  3.0736  0.2746887      4.319130 
1 1 1 0   -18 35 o 53.483  2.1808  390.481   31.099    377.628   43.709    403.659   44.257    52.578  3.1176  54.388  3.0503  -1.810097      4.361631 
1 1 1 0   -18 36 o 20.441  3.0174  60.146    16.077    41.843    22.304    79.941    23.195    17.041  4.7230  23.841  3.7567  -6.800175      6.034870 
1 1 1 0   -18 37 o 71.466  2.3208  699.977   44.400    667.263   62.082    734.227   63.524    69.737  3.3237  73.196  3.2401  -3.459137      4.641673 
1 1 1 0   -18 38 o 13.842  3.2084  23.068    15.326    42.773    21.573    2.9896    21.776    17.113  4.6051  10.571  4.4686  6.541448       6.416832 
1 1 1 0   -18 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -18 40 o 19.043  3.3699  53.158    17.969    30.603    24.434    79.724    26.518    14.809  5.0928  23.278  4.4146  -8.469134      6.739834 
1 1 1 0   -18 41 o 9.5499  2.7320  -10.3586  14.198    22.107    18.743    -54.0733  21.749    12.762  4.4564  6.3381  3.1618  6.423487       5.464097 
1 1 1 0   -18 42 o 47.457  2.5732  322.761   32.322    286.288   44.511    363.448   47.013    44.499  3.7699  50.415  3.5032  -5.916042      5.146371 
1 1 1 0   -18 43 o 10.251  3.1129  -4.9172   16.506    -24.8135  22.358    18.916    24.470    7.8988  3.7721  12.604  4.9531  -4.704854      6.225899 
1 1 1 0   -18 44 o 35.217  2.4940  181.982   22.379    184.288   36.632    180.609   28.266    34.969  3.9820  35.465  3.0039  -0.4964027     4.987968 
1 1 1 0   -18 45 o 26.038  3.0706  109.591   19.094    95.469    32.685    116.908   23.526    23.810  5.2649  28.266  3.1616  -4.455393      6.141228 
1 1 1 0   -18 46 o 18.115  3.3190  45.428    15.853    88.075    29.274    27.733    18.857    22.995  4.9027  13.234  4.4751  9.761549       6.637991 
1 1 1 0   -18 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -18 48 o 26.145  3.2848  115.322   20.499    115.193   36.331    115.382   24.828    24.916  5.5824  27.374  3.4638  -2.458448      6.569669 
1 1 1 0   -18 49 o 7.5950  2.5589  -14.0645  13.828    -39.5229  27.360    -5.3305   16.025    7.6370  3.7626  7.5529  3.4691  0.8404779E-01  5.117776 
1 1 1 0   -17 1  o 37.271  1.7763  187.033   17.627    190.991   25.062    183.158   24.796    37.664  2.4985  36.878  2.5255  0.7860870      3.552560 
1 1 1 0   -17 2  o 287.051 5.4611  11130.43  419.838   10955.45  594.240   11304.82  593.242   284.777 7.7906  289.325 7.6552  -4.548157      10.92223 
1 1 1 0   -17 3  o 222.963 4.2900  6692.23   256.185   6626.02   362.775   6758.10   361.829   221.856 6.1049  224.070 6.0288  -2.214661      8.579973 
1 1 1 0   -17 4  o 196.704 3.8628  5202.92   203.502   5288.81   288.243   5117.56   287.350   198.327 5.4261  195.080 5.4993  3.247818       7.725620 
1 1 1 0   -17 5  o 273.644 5.2028  10101.74  381.245   10369.76  539.604   9834.58   538.721   277.293 7.2652  269.995 7.4494  7.298492       10.40557 
1 1 1 0   -17 6  o 267.794 5.0316  9670.08   360.749   10012.35  510.565   9328.87   509.787   272.557 6.9937  263.031 7.2359  9.526062       10.06327 
1 1 1 0   -17 7  o 122.526 2.6140  2014.09   85.786    2002.81   121.169   2025.42   121.472   122.182 3.7025  122.870 3.6910  -0.6882324     5.227982 
1 1 1 0   -17 8  o 190.332 3.7120  4868.88   189.234   4889.05   267.393   4848.64   267.842   190.729 5.2341  189.935 5.2648  0.7937775      7.423918 
1 1 1 0   -17 9  o 85.002  2.0513  968.664   46.694    942.467   65.770    995.288   66.305    83.842  2.9287  86.161  2.8731  -2.319237      4.102662 
1 1 1 0   -17 10 o 139.139 2.8728  2598.34   107.062   2581.73   151.061   2615.10   151.759   138.692 4.0664  139.586 4.0591  -0.8939819     5.745603 
1 1 1 0   -17 11 o 182.469 3.5763  4474.51   174.787   4466.05   246.872   4483.02   247.502   182.296 5.0560  182.641 5.0593  -0.3456421     7.152597 
1 1 1 0   -17 12 o 236.121 4.5261  7510.56   286.217   7640.73   404.633   7380.20   404.910   238.181 6.3426  234.061 6.4586  4.120422       9.052178 
1 1 1 0   -17 13 o 58.043  1.7853  451.583   27.754    449.155   39.021    454.069   39.483    57.885  2.5168  58.200  2.5328  -0.3154335     3.570578 
1 1 1 0   -17 14 o 212.707 4.0817  6090.88   232.519   6197.85   328.746   5983.81   328.918   214.586 5.7197  210.829 5.8246  3.757385       8.163394 
1 1 1 0   -17 15 o 229.171 4.4071  7077.71   270.517   7131.62   382.497   7023.75   382.642   230.050 6.2075  228.292 6.2577  1.757874       8.814258 
1 1 1 0   -17 16 o 161.632 3.2261  3511.27   139.647   3584.10   197.667   3438.70   197.316   163.311 4.5189  159.953 4.6055  3.357620       6.452223 
1 1 1 0   -17 17 o 75.674  1.9807  768.134   40.140    755.698   56.994    780.375   56.542    75.065  2.8347  76.283  2.7673  -1.218285      3.961466 
1 1 1 0   -17 18 f 148.096 3.0370  2947.45   120.464   2934.22   170.879   2960.52   169.849   147.763 4.3175  148.429 4.2722  -0.6662140     6.073958 
1 1 1 0   -17 19 o 194.658 3.8273  5103.69   199.548   5096.10   282.905   5111.21   281.508   194.510 5.4301  194.806 5.3951  -0.2953339     7.654626 
1 1 1 0   -17 20 o 113.520 2.5068  1729.80   76.207    1779.27   108.710   1681.99   106.859   115.117 3.5257  111.923 3.5645  3.194168       5.013599 
1 1 1 0   -17 21 o 55.583  1.8617  413.482   27.686    439.915   40.171    389.565   38.211    57.271  2.6187  53.894  2.6470  3.377899       3.723490 
1 1 1 0   -17 22 o 111.359 2.5386  1668.04   75.601    1585.08   107.956   1747.88   105.905   108.627 3.7104  114.091 3.4656  -5.464127      5.077148 
1 1 1 0   -17 23 o 52.309  1.9643  365.937   27.275    427.998   39.994    311.977   37.292    56.487  2.6434  48.131  2.9063  8.355404       3.928620 
1 1 1 0   -17 24 o 96.618  2.3790  1253.52   61.546    1256.14   88.189    1251.03   85.933    96.713  3.4044  96.523  3.3239  0.1905518      4.757929 
1 1 1 0   -17 25 o 129.901 2.8148  2269.47   97.923    2246.41   139.273   2292.02   137.707   129.243 4.0232  130.560 3.9378  -1.316772      5.629627 
1 1 1 0   -17 26 o 80.043  2.1841  859.664   46.774    917.752   67.128    804.847   65.210    82.672  3.0315  77.413  3.1449  5.259911       4.368122 
1 1 1 0   -17 27 o 83.081  2.2339  927.349   49.708    933.636   70.806    921.240   69.802    83.357  3.1713  82.804  3.1472  0.5531769      4.467893 
1 1 1 0   -17 28 o 42.331  2.1324  242.439   23.972    233.813   34.590    250.411   33.252    41.588  3.1281  43.074  2.8990  -1.486195      4.264876 
1 1 1 0   -17 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -17 30 o 24.515  3.0100  87.357    18.345    139.251   26.516    39.712    25.407    32.006  3.1333  17.024  5.1402  14.98207       6.019903 
1 1 1 0   -17 31 f 113.757 2.6769  1751.18   81.506    1826.74   115.258   1675.59   115.276   116.237 3.7020  111.276 3.8677  4.960625       5.353846 
1 1 1 0   -17 32 o 52.417  2.0991  371.957   29.348    376.122   41.379    367.740   41.631    52.718  2.9421  52.116  2.9949  0.6024170      4.198274 
1 1 1 0   -17 33 o 7.4108  2.3794  -14.5165  11.220    0.5701    14.813    -34.8232  17.185    8.6663  3.6756  6.1552  3.0225  2.511112       4.758792 
1 1 1 0   -17 34 o 106.574 2.6280  1549.00   74.996    1571.97   105.350   1525.41   106.785   107.402 3.6621  105.746 3.7701  1.656921       5.255959 
1 1 1 0   -17 35 o 64.183  2.2061  560.372   37.798    519.448   52.717    603.667   54.223    61.707  3.2005  66.658  3.0370  -4.951416      4.412108 
1 1 1 0   -17 36 o 11.074  3.0653  10.200    13.315    5.6791    18.540    15.016    19.136    10.289  4.2165  11.858  4.4502  -1.569081      6.130532 
1 1 1 0   -17 37 o 34.242  2.4287  162.387   21.944    163.106   30.324    161.597   31.796    34.354  3.3377  34.131  3.5290  0.2223206      4.857353 
1 1 1 0   -17 38 o 24.575  2.9303  85.868    18.569    80.085    25.370    92.540    27.252    23.664  4.1542  25.486  4.1339  -1.821354      5.860574 
1 1 1 0   -17 39 o 20.653  3.3660  64.662    18.405    78.467    24.748    47.576    27.532    23.363  4.1046  17.943  5.3358  5.419508       6.731937 
1 1 1 0   -17 40 o 41.207  2.4883  239.329   27.037    251.744   37.039    225.167   39.559    42.485  3.2803  39.928  3.7426  2.556652       4.976654 
1 1 1 0   -17 41 o 19.421  3.4939  58.566    18.856    76.064    25.867    38.723    27.544    22.640  4.4241  16.202  5.4089  6.438120       6.987795 
1 1 1 0   -17 42 f 67.096  2.8655  636.473   49.789    587.364   62.445    722.171   82.491    64.100  3.6522  70.092  4.4165  -5.991882      5.730940 
1 1 1 0   -17 43 f 14.087  3.3051  27.910    13.811    36.622    24.431    23.818    16.744    15.400  5.0919  12.774  4.2150  2.625635       6.610161 
1 1 1 0   -17 44 o 25.577  2.7917  96.616    17.499    104.715   30.420    92.611    21.394    25.925  4.5466  25.229  3.2408  0.6957817      5.583397 
1 1 1 0   -17 45 o 10.398  2.8479  11.313    12.481    -10.1028  21.900    21.615    15.189    8.7709  4.0385  12.024  4.0166  -3.253375      5.695847 
1 1 1 0   -17 46 o 9.6337  2.9527  -0.1364   12.740    16.019    24.276    -6.2770   14.966    11.824  4.8329  7.4430  3.3936  4.381349       5.905350 
1 1 1 0   -17 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -17 48 o 12.112  3.3448  22.082    15.574    10.610    29.593    26.476    18.316    11.484  5.0323  12.740  4.4077  -1.256411      6.689651 
1 1 1 0   -17 49 o 8.0031  2.6367  -8.2411   13.543    -33.9468  26.897    0.4892    15.675    7.8524  3.8404  8.1539  3.6140  -0.3015199     5.273440 
1 1 1 0   -16 1  o 110.773 2.5015  1646.61   74.182    1591.78   105.248   1700.74   104.572   108.936 3.6071  112.609 3.4670  -3.673203      5.003091 
1 1 1 0   -16 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -16 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -16 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -16 5  o 65.796  3.0295  601.342   48.144    930.601   70.689    316.483   65.751    83.317  3.1676  48.275  5.1651  35.04233       6.059024 
1 1 1 0   -16 6  o 255.908 4.7963  8809.94   328.737   8931.96   464.989   8688.01   464.818   257.688 6.7369  254.129 6.8287  3.558563       9.592564 
1 1 1 0   -16 7  o 130.113 2.7067  2270.54   94.324    2292.57   133.219   2248.39   133.572   130.747 3.8040  129.479 3.8515  1.268051       5.413356 
1 1 1 0   -16 8  o 114.445 2.4707  1756.08   75.736    1743.13   106.781   1769.19   107.436   114.021 3.4964  114.870 3.4918  -0.8491516     4.941422 
1 1 1 0   -16 9  o 270.336 5.1115  9836.92   370.116   9864.06   523.130   9809.72   523.718   270.711 7.2146  269.960 7.2429  0.7519836      10.22301 
1 1 1 0   -16 10 o 262.353 4.9454  9264.06   347.457   9457.29   491.233   9070.59   491.525   265.105 6.9180  259.601 7.0689  5.503723       9.890785 
1 1 1 0   -16 11 o 216.146 5.9145  6310.54   341.872   5926.22   484.916   6690.35   482.056   209.542 8.6398  222.750 8.0796  -13.20804      11.82906 
1 1 1 0   -16 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -16 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -16 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -16 15 o 59.486  1.7923  474.393   28.527    503.153   40.596    446.337   40.096    61.269  2.4737  57.704  2.5942  3.565186       3.584602 
1 1 1 0   -16 16 o 201.854 3.9172  5481.27   211.784   5522.24   299.842   5440.48   299.173   202.609 5.5252  201.099 5.5542  1.510162       7.834356 
1 1 1 0   -16 17 f 53.285  1.7850  380.695   25.457    378.920   36.671    382.347   35.369    53.164  2.5752  53.406  2.4725  -0.2420578     3.570041 
1 1 1 0   -16 18 o 88.945  2.1251  1060.71   50.619    1086.70   72.378    1035.83   70.820    90.011  3.0021  87.879  3.0087  2.132263       4.250271 
1 1 1 0   -16 19 o 152.771 3.0920  3136.03   126.511   3198.95   179.848   3074.41   177.993   154.290 4.3519  151.252 4.3935  3.038101       6.183999 
1 1 1 0   -16 20 o 58.742  1.8583  461.755   29.206    485.456   42.504    440.554   40.200    60.167  2.6375  57.317  2.6185  2.849487       3.716537 
1 1 1 0   -16 21 o 172.154 3.4651  3988.89   159.754   3939.46   226.997   4037.40   224.870   171.088 4.9535  173.220 4.8467  -2.131744      6.930183 
1 1 1 0   -16 22 o 130.790 2.8209  2299.82   98.768    2242.64   140.747   2355.29   138.635   129.179 4.0678  132.401 3.9092  -3.222214      5.641722 
1 1 1 0   -16 23 o 163.437 3.3332  3594.85   145.908   3595.59   207.398   3594.13   205.309   163.449 4.7373  163.424 4.6903  0.2505493E-01  6.666425 
1 1 1 0   -16 24 o 156.402 3.2091  3292.33   134.399   3224.35   190.855   3359.21   189.292   154.790 4.6033  158.015 4.4724  -3.225113      6.418208 
1 1 1 0   -16 25 o 63.345  2.0418  537.971   34.626    554.948   49.919    522.228   48.071    64.307  2.8982  62.383  2.8769  1.923668       4.083593 
1 1 1 0   -16 26 o 136.091 2.9326  2491.57   106.896   2479.83   151.551   2503.20   150.801   135.769 4.1674  136.413 4.1272  -0.6438751     5.865258 
1 1 1 0   -16 27 o 122.388 2.7304  2014.73   89.506    2021.86   126.798   2007.66   126.365   122.604 3.8612  122.173 3.8616  0.4314804      5.460783 
1 1 1 0   -16 28 o 110.262 2.5767  1635.49   76.096    1659.99   107.874   1611.22   107.359   111.087 3.6255  109.438 3.6625  1.649033       5.153470 
1 1 1 0   -16 29 o 138.075 3.0126  2572.16   111.409   2536.47   157.352   2608.03   157.761   137.109 4.2847  139.041 4.2361  -1.932159      6.025201 
1 1 1 0   -16 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -16 31 o 26.566  2.7070  97.458    18.663    102.414   26.073    92.250    26.727    27.306  3.6567  25.827  3.9924  1.479046       5.413963 
1 1 1 0   -16 32 o 95.095  2.4508  1221.98   62.422    1212.48   87.678    1231.75   88.891    94.723  3.4558  95.468  3.4762  -0.7447205     4.901689 
1 1 1 0   -16 33 o 11.300  2.9364  11.428    12.806    23.886    17.023    -4.8127   19.436    13.348  4.2379  9.2524  4.0657  4.095689       5.872815 
1 1 1 0   -16 34 o 86.733  2.3678  1021.09   54.988    1036.80   77.132    1004.86   78.412    87.429  3.2937  86.036  3.4026  1.393555       4.735689 
1 1 1 0   -16 35 o 58.729  2.1927  470.684   34.278    503.480   47.718    435.716   49.273    60.941  2.9234  56.516  3.2689  4.424629       4.385429 
1 1 1 0   -16 36 o 47.576  2.2122  309.449   28.017    309.461   38.959    309.436   40.320    47.594  3.0725  47.558  3.1836  0.3635788E-01  4.424415 
1 1 1 0   -16 37 o 71.239  2.3329  693.924   44.497    686.997   61.929    701.318   63.977    70.888  3.2616  71.590  3.3365  -0.7011871     4.665832 
1 1 1 0   -16 38 o 44.665  2.3264  276.647   27.448    299.013   37.904    251.988   39.799    46.673  3.0488  42.656  3.5147  4.016766       4.652720 
1 1 1 0   -16 39 f 41.387  2.4109  238.082   26.444    243.050   36.641    232.681   38.202    41.890  3.2921  40.884  3.5229  1.005955       4.821741 
1 1 1 0   -16 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -16 41 o 17.116  3.0627  40.223    13.518    56.452    23.548    32.246    16.510    19.417  4.5986  14.814  4.0465  4.603333       6.125425 
1 1 1 0   -16 42 o 12.543  2.9271  22.121    13.091    -4.7991   23.453    34.305    15.778    9.8768  4.3969  15.210  3.8650  -5.333241      5.854114 
1 1 1 0   -16 43 o 15.494  3.2658  37.741    14.464    29.820    25.163    41.650    17.676    14.380  5.1501  16.608  4.0174  -2.228171      6.531654 
1 1 1 0   -16 44 o 12.614  3.0638  23.831    13.033    7.8991    23.933    30.548    15.540    11.082  4.6846  14.146  3.9500  -3.063546      6.127654 
1 1 1 0   -16 45 o 13.176  2.9078  12.527    13.298    57.068    23.366    -8.8108   16.173    18.798  4.6632  7.5537  3.4752  11.24466       5.815672 
1 1 1 0   -16 46 o 10.920  2.9932  13.393    13.904    -13.8669  25.650    24.738    16.547    9.1758  4.2750  12.665  4.1907  -3.488873      5.986395 
1 1 1 0   -16 47 o 18.401  4.0867  65.745    25.312    87.717    32.101    29.625    41.158    22.378  5.4143  14.424  6.1228  7.953996       8.173308 
1 1 1 0   -16 48 o 12.196  3.2355  21.615    16.433    -11.6516  30.203    35.604    19.586    9.8760  4.6138  14.517  4.5374  -4.640759      6.471069 
1 1 1 0   -16 49 o 7.8443  2.5868  -12.0667  13.962    -50.7294  27.273    1.6659    16.254    7.2422  3.6011  8.4464  3.7147  -1.204192      5.173636 
1 1 1 0   -15 1  o 153.155 3.1359  3146.81   128.639   3135.25   182.420   3158.24   181.429   152.874 4.4550  153.436 4.4146  -0.5620270     6.271810 
1 1 1 0   -15 2  o 304.096 5.7096  12449.69  464.977   12193.41  657.896   12705.48  657.258   300.952 8.1615  307.241 7.9867  -6.288452      11.41920 
1 1 1 0   -15 3  o 271.175 5.1243  9886.17   372.179   10013.04  526.829   9759.77   525.853   272.918 7.2069  269.433 7.2866  3.484924       10.24861 
1 1 1 0   -15 4  o 184.764 3.5874  4579.97   177.536   4561.49   251.291   4598.39   250.856   184.391 5.0880  185.137 5.0588  -0.7460785     7.174889 
1 1 1 0   -15 5  o 208.887 4.0071  5856.33   224.169   5963.01   317.148   5749.81   316.899   210.792 5.6172  206.982 5.7161  3.810287       8.014145 
1 1 1 0   -15 6  o 277.630 5.2176  10358.54  387.993   10412.57  548.609   10304.48  548.800   278.357 7.3582  276.903 7.3994  1.453888       10.43527 
1 1 1 0   -15 7  o 275.418 5.1935  10193.92  383.099   10334.82  541.680   10052.92  541.886   277.329 7.2922  273.507 7.3969  3.821716       10.38703 
1 1 1 0   -15 8  o 129.629 2.6532  2252.42   92.112    2209.08   129.920   2296.23   130.614   128.375 3.7784  130.884 3.7258  -2.509140      5.306364 
1 1 1 0   -15 9  o 113.108 2.4622  1714.64   74.590    1693.81   105.170   1735.72   105.806   112.416 3.4928  113.799 3.4712  -1.383003      4.924332 
1 1 1 0   -15 10 o 244.537 4.6270  8031.83   303.064   7999.82   428.301   8063.93   428.893   244.048 6.5522  245.026 6.5350  -0.9778442     9.254059 
1 1 1 0   -15 11 o 290.026 5.3945  11315.82  418.871   11709.45  592.468   10922.44  592.278   295.091 7.4958  284.960 7.7598  10.13062       10.78900 
1 1 1 0   -15 12 o 237.895 4.4596  7603.88   284.112   7767.98   401.768   7439.73   401.823   240.471 6.2377  235.320 6.3751  5.151535       8.919130 
1 1 1 0   -15 13 f 302.884 5.6512  12353.90  458.440   12499.47  648.333   12208.33  648.331   304.678 7.9445  301.090 8.0392  3.588654       11.30239 
1 1 1 0   -15 14 o 371.250 6.9090  18630.23  686.822   19154.68  971.776   18106.78  970.851   376.518 9.6359  365.983 9.9038  10.53494       13.81795 
1 1 1 0   -15 15 o 153.188 3.7824  3186.68   146.322   3258.78   180.309   3047.63   250.402   155.835 4.3198  150.541 6.2100  5.293350       7.564746 
1 1 1 0   -15 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -15 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -15 18 o 121.494 2.6021  1980.51   84.670    2000.80   120.696   1960.84   118.810   122.106 3.6903  120.882 3.6695  1.223953       5.204192 
1 1 1 0   -15 19 o 19.052  2.2397  49.849    10.915    61.886    15.979    39.320    14.944    21.290  2.8757  16.814  3.4344  4.476011       4.479406 
1 1 1 0   -15 20 o 248.850 4.7668  8360.49   317.668   8209.00   450.244   8510.66   448.265   246.582 6.8171  251.117 6.6645  -4.534439      9.533534 
1 1 1 0   -15 21 o 121.543 2.6512  1984.68   86.265    1937.69   123.019   2030.14   121.001   120.121 3.8235  122.966 3.6738  -2.844910      5.302464 
1 1 1 0   -15 22 o 57.229  1.8996  439.565   29.076    433.126   42.099    445.438   40.205    56.826  2.7659  57.633  2.6045  -0.8069801     3.799158 
1 1 1 0   -15 23 o 137.633 2.9256  2546.45   107.835   2513.32   153.133   2579.03   151.877   136.739 4.1811  138.526 4.0933  -1.786560      5.851174 
1 1 1 0   -15 24 o 125.882 2.7651  2129.39   93.229    2131.20   132.308   2127.60   131.388   125.934 3.9224  125.830 3.8983  0.1035614      5.530133 
1 1 1 0   -15 25 o 134.198 2.8911  2421.10   103.914   2457.89   147.283   2384.64   146.632   135.216 4.0666  133.180 4.1105  2.035538       5.782226 
1 1 1 0   -15 26 o 101.626 2.4459  1387.33   66.534    1452.37   94.515    1323.44   93.677    103.993 3.3932  99.259  3.5235  4.733986       4.891731 
1 1 1 0   -15 27 o 151.452 3.1904  3088.59   129.419   3100.07   182.905   3077.08   183.147   151.735 4.5004  151.168 4.5233  0.5677032      6.380702 
1 1 1 0   -15 28 o 78.525  2.2240  828.361   46.772    839.024   66.008    817.609   66.284    79.035  3.1181  78.016  3.1720  1.019165       4.447954 
1 1 1 0   -15 29 o 70.668  2.1452  670.983   40.602    667.745   57.068    674.302   57.779    70.496  3.0223  70.840  3.0451  -0.3435516     4.290370 
1 1 1 0   -15 30 o 91.663  2.3779  1130.58   58.370    1101.20   81.904    1160.90   83.206    90.451  3.3807  92.875  3.3448  -2.424187      4.755709 
1 1 1 0   -15 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -15 32 o 103.277 2.5445  1440.43   70.374    1402.74   98.545    1479.66   100.533   101.896 3.6107  104.659 3.5863  -2.762642      5.089045 
1 1 1 0   -15 33 o 57.468  2.1647  447.393   33.165    456.285   46.160    437.905   47.681    58.077  2.9774  56.860  3.1430  1.217617       4.329365 
1 1 1 0   -15 34 o 76.207  2.2757  786.536   46.420    791.171   64.600    781.587   66.750    76.455  3.1545  75.958  3.2809  0.4971771      4.551382 
1 1 1 0   -15 35 o 38.806  2.2555  205.454   23.103    178.531   31.988    234.814   33.404    36.097  3.3465  41.516  3.0248  -5.418945      4.510945 
1 1 1 0   -15 36 o 52.155  2.2011  372.099   30.521    388.450   42.274    354.295   44.113    53.403  2.9671  50.908  3.2521  2.495483       4.402254 
1 1 1 0   -15 37 o 30.838  2.5137  132.947   20.177    143.386   27.586    120.938   29.588    32.256  3.2365  29.420  3.8469  2.835930       5.027328 
1 1 1 0   -15 38 o 31.834  2.6869  145.991   21.510    179.185   29.505    108.336   31.425    36.091  3.0817  27.578  4.4023  8.513069       5.373763 
1 1 1 0   -15 39 o 32.331  2.2877  146.857   18.883    136.480   30.110    153.584   24.243    31.211  3.6720  33.450  2.7296  -2.239401      4.575357 
1 1 1 0   -15 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -15 41 o 10.378  2.9264  5.5866    11.703    19.134    20.955    -0.5545   14.109    12.589  4.6702  8.1675  3.5277  4.421929       5.852821 
1 1 1 0   -15 42 o 19.558  3.0824  66.073    16.115    27.060    27.522    86.429    19.880    14.378  5.3485  24.739  3.0658  -10.36128      6.164832 
1 1 1 0   -15 43 f 16.456  3.1759  41.006    13.675    41.637    24.780    40.730    16.398    16.378  5.1012  16.534  3.7846  -0.1557732     6.351792 
1 1 1 0   -15 44 f 20.203  3.2012  62.565    16.391    67.842    27.292    59.588    20.500    20.574  5.0013  19.832  3.9973  0.7412758      6.402448 
1 1 1 0   -15 45 o 16.444  3.4181  45.175    16.204    35.308    27.050    50.699    20.237    14.919  5.3401  17.968  4.2683  -3.048839      6.836279 
1 1 1 0   -15 46 o 15.059  3.5236  37.317    16.155    34.636    28.381    38.601    19.649    14.668  5.4363  15.449  4.4843  -0.7810183     7.047124 
1 1 1 0   -15 47 o 37.284  2.6828  211.189   25.407    213.069   41.635    210.073   32.070    36.779  4.3081  37.789  3.1985  -1.009987      5.365587 
1 1 1 0   -15 48 o 17.100  3.7872  49.664    18.337    66.486    32.354    41.704    22.257    18.661  5.8316  15.540  4.8337  3.121135       7.574397 
1 1 1 0   -15 49 o 24.825  3.4398  107.905   20.956    108.045   35.838    107.832   25.833    23.678  5.7158  25.971  3.8285  -2.292665      6.879523 
1 1 1 0   -14 1  o 272.701 5.1577  9994.44   376.419   9529.21   532.497   10459.11  532.177   266.335 7.4645  279.066 7.1197  -12.73151      10.31543 
1 1 1 0   -14 2  o 392.158 7.2916  20707.95  765.792   21127.37  1083.83   20289.83  1082.16   396.143 10.215  388.172 10.408  7.970337       14.58318 
1 1 1 0   -14 3  o 152.649 3.1170  3123.63   127.426   3192.50   180.516   3055.22   179.901   154.327 4.3670  150.970 4.4489  3.357162       6.234056 
1 1 1 0   -14 4  o 277.565 5.2298  10342.88  388.814   10355.65  550.006   10330.13  549.725   277.736 7.3934  277.393 7.3988  0.3429260      10.45969 
1 1 1 0   -14 5  o 213.396 4.1305  6107.83   236.070   6010.74   333.660   6205.15   334.047   211.695 5.8844  215.096 5.7981  -3.400879      8.261011 
1 1 1 0   -14 6  o 151.040 3.0255  3057.76   122.393   3092.62   172.924   3022.76   173.256   151.904 4.2501  150.177 4.3072  1.726929       6.051073 
1 1 1 0   -14 7  o 230.936 4.4189  7154.57   273.302   7017.12   386.129   7292.55   386.887   228.710 6.3032  233.162 6.1949  -4.451904      8.837818 
1 1 1 0   -14 8  o 367.647 6.8584  18175.68  675.331   18394.39  954.943   17956.85  955.182   369.869 9.6392  365.425 9.7588  4.443542       13.71674 
1 1 1 0   -14 9  o 184.652 3.5872  4571.53   177.419   4564.27   250.627   4578.83   251.190   184.505 5.0714  184.799 5.0747  -0.2939606     7.174421 
1 1 1 0   -14 10 o 259.317 4.8560  9025.58   337.284   9057.73   476.773   8993.38   477.212   259.781 6.8520  258.854 6.8828  0.9269714      9.712003 
1 1 1 0   -14 11 o 178.999 3.4856  4297.09   167.068   4416.29   236.206   4177.75   236.335   181.487 4.8591  176.512 4.9988  4.975342       6.971289 
1 1 1 0   -14 12 o 152.634 3.0600  3123.70   125.075   3197.47   176.845   3049.86   176.921   154.439 4.2751  150.829 4.3793  3.610443       6.120041 
1 1 1 0   -14 13 o 269.539 5.0360  9759.85   363.570   9840.16   514.255   9679.60   514.078   270.651 7.0938  268.427 7.1501  2.223694       10.07208 
1 1 1 0   -14 14 o 215.228 4.0956  6219.72   235.983   6461.40   334.242   5979.52   333.220   219.407 5.6875  211.049 5.8947  8.357285       8.191133 
1 1 1 0   -14 15 o 132.256 2.7520  2345.24   97.484    2358.30   138.513   2332.43   137.223   132.620 3.8994  131.891 3.8844  0.7290039      5.503949 
1 1 1 0   -14 16 o 313.921 5.8755  13282.77  493.946   13593.95  699.543   12973.36  697.551   317.608 8.2231  310.234 8.3946  7.374939       11.75106 
1 1 1 0   -14 17 f 52.761  1.8070  374.414   25.419    358.772   36.829    388.644   35.128    51.670  2.6702  53.853  2.4354  -2.183254      3.614013 
1 1 1 0   -14 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -14 19 o 173.034 3.4411  4024.39   159.434   3937.80   226.517   4109.40   224.444   171.180 4.9404  174.888 4.7914  -3.707794      6.882182 
1 1 1 0   -14 20 o 129.783 2.7696  2260.79   96.267    2301.89   137.227   2220.96   135.083   130.945 3.9126  128.622 3.9210  2.322998       5.539166 
1 1 1 0   -14 21 o 114.633 2.5433  1763.68   78.083    1772.57   111.200   1755.03   109.668   114.916 3.6127  114.349 3.5806  0.5676346      5.086508 
1 1 1 0   -14 22 o 170.150 3.4456  3894.63   157.025   3869.32   222.592   3919.70   221.544   169.595 4.9001  170.704 4.8454  -1.109116      6.891216 
1 1 1 0   -14 23 o 99.397  2.3514  1326.05   62.576    1378.05   88.966    1275.13   88.032    101.329 3.2779  97.466  3.3721  3.863281       4.702751 
1 1 1 0   -14 24 o 138.097 2.9544  2563.53   109.280   2570.87   154.633   2556.21   154.459   138.294 4.1745  137.899 4.1818  0.3958588      5.908821 
1 1 1 0   -14 25 o 250.167 4.8379  8469.38   324.160   8540.16   458.392   8398.57   458.472   251.223 6.8122  249.110 6.8712  2.113617       9.675722 
1 1 1 0   -14 26 o 95.481  2.3907  1224.71   61.102    1274.00   86.398    1175.39   86.425    97.409  3.3114  93.554  3.4490  3.855835       4.781305 
1 1 1 0   -14 27 o 149.232 3.1578  2997.54   126.215   3020.90   178.072   2973.96   178.920   149.821 4.4375  148.643 4.4939  1.177887       6.315562 
1 1 1 0   -14 28 o 99.658  2.4418  1334.58   65.174    1340.29   91.641    1328.73   92.708    99.876  3.4256  99.439  3.4807  0.4367905      4.883695 
1 1 1 0   -14 29 o 79.367  2.2368  846.698   47.526    860.496   66.515    832.307   67.932    80.033  3.1029  78.702  3.2226  1.331444       4.473539 
1 1 1 0   -14 30 o 54.722  2.1093  403.332   30.787    389.111   42.908    418.423   44.200    53.725  2.9937  55.720  2.9723  -1.995438      4.218618 
1 1 1 0   -14 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -14 32 o 37.860  2.2806  194.582   22.888    195.174   31.775    193.944   32.997    37.931  3.1562  37.789  3.2929  0.1420403      4.561197 
1 1 1 0   -14 33 o 42.623  2.1781  245.937   24.679    234.855   34.126    258.086   35.731    41.612  3.0837  43.634  3.0770  -2.021374      4.356283 
1 1 1 0   -14 34 o 31.392  2.3675  134.161   19.427    113.120   26.507    158.578   28.554    28.682  3.5245  34.102  3.1620  -5.420574      4.735062 
1 1 1 0   -14 35 o 72.979  2.2762  722.347   44.467    721.591   61.790    723.159   64.041    72.956  3.1621  73.003  3.2751  -0.4690552E-01 4.552497 
1 1 1 0   -14 36 o 40.920  2.2525  228.508   24.466    218.394   33.666    239.828   35.618    39.961  3.1714  41.879  3.1995  -1.918491      4.504930 
1 1 1 0   -14 37 o 57.646  2.2445  453.768   34.499    439.364   47.740    469.511   49.911    56.694  3.1563  58.599  3.1920  -1.904934      4.489019 
1 1 1 0   -14 38 o 16.819  2.8726  36.907    12.719    59.119    21.321    24.636    15.847    20.341  4.0557  13.298  4.0692  7.042856       5.745195 
1 1 1 0   -14 39 o 24.599  2.7936  93.925    16.379    56.667    25.542    119.945   21.345    19.651  4.8760  29.547  2.7279  -9.896765      5.587148 
1 1 1 0   -14 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -14 41 o 44.057  2.2194  269.380   25.524    272.831   40.218    267.053   33.028    44.138  3.4288  43.977  2.8188  0.1606140      4.438765 
1 1 1 0   -14 42 o 9.2925  2.7582  -0.4545   11.487    13.136    19.239    -7.9834   14.319    11.309  4.4069  7.2756  3.3181  4.033743       5.516379 
1 1 1 0   -14 43 o 17.291  3.2322  42.857    14.998    61.230    24.746    32.190    18.856    19.945  4.7077  14.637  4.4301  5.307862       6.464378 
1 1 1 0   -14 44 o 13.968  3.1912  22.518    13.514    50.462    24.514    10.318    16.198    17.783  4.9595  10.153  4.0171  7.630558       6.382338 
1 1 1 0   -14 45 o 6.9913  2.3810  -21.0720  10.945    -8.7975   21.078    -25.6035  12.807    8.7609  4.0072  5.2217  2.5729  3.539249       4.762096 
1 1 1 0   -14 46 o 21.419  3.2696  70.333    17.472    87.622    30.210    61.644    21.417    23.010  5.0411  19.827  4.1653  3.182617       6.539288 
1 1 1 0   -14 47 o 24.763  3.2819  102.848   19.842    86.778    33.101    111.860   24.789    22.195  5.5754  27.331  3.4640  -5.136124      6.563818 
1 1 1 0   -14 48 o 12.020  3.4028  19.219    15.818    20.438    28.307    18.666    19.074    12.524  5.1795  11.515  4.4145  1.008881       6.805523 
1 1 1 0   -14 49 o 36.119  2.9390  211.560   26.120    211.447   44.483    211.619   32.269    34.917  4.8904  37.320  3.2610  -2.402718      5.877932 
1 1 1 0   -13 1  f 476.402 8.8457  30580.71  1128.34   29648.59  1595.51   31513.32  1595.93   469.096 12.698  483.708 12.318  -14.61273      17.69133 
1 1 1 0   -13 2  o 429.839 7.9854  24856.38  919.365   24951.65  1300.71   24761.27  1299.65   430.665 11.276  429.013 11.310  1.652039       15.97074 
1 1 1 0   -13 3  o 270.342 5.1071  9805.35   369.807   9857.60   523.250   9753.20   522.723   271.062 7.2070  269.621 7.2382  1.441254       10.21427 
1 1 1 0   -13 4  o 259.154 4.9112  9009.09   340.904   8964.99   482.074   9053.20   482.149   258.519 6.9620  259.790 6.9290  -1.270660      9.822417 
1 1 1 0   -13 5  o 334.819 6.2199  15051.94  557.808   15054.09  788.705   15049.78  789.014   334.843 8.7940  334.795 8.7987  0.4840088E-01  12.43987 
1 1 1 0   -13 6  o 207.761 3.9769  5787.22   221.277   5666.54   312.576   5908.45   313.291   205.588 5.6763  209.935 5.5715  -4.346558      7.953790 
1 1 1 0   -13 7  o 330.077 6.1340  14627.87  542.305   14527.35  766.569   14728.58  767.301   328.940 8.7005  331.215 8.6490  -2.275269      12.26804 
1 1 1 0   -13 8  f 217.108 4.1686  6320.07   242.411   6332.13   342.571   6307.99   343.072   217.316 5.8853  216.900 5.9052  0.4154968      8.337201 
1 1 1 0   -13 9  o 279.556 5.2107  10486.25  390.162   10556.52  551.545   10415.87  552.000   280.495 7.3412  278.616 7.3968  1.878784       10.42142 
1 1 1 0   -13 10 o 356.734 6.5322  17096.84  624.065   16751.27  882.075   17443.18  883.047   353.114 9.3261  360.354 9.1488  -7.240112      13.06437 
1 1 1 0   -13 11 o 271.337 5.1012  9879.57   370.735   9952.32   524.186   9806.77   524.409   272.338 7.1860  270.335 7.2423  2.002899       10.20247 
1 1 1 0   -13 12 o 367.362 6.7986  18141.37  668.964   18134.98  946.060   18147.76  946.056   367.297 9.6164  367.427 9.6130  -0.1299744     13.59720 
1 1 1 0   -13 13 o 273.338 5.1157  10029.29  374.523   10139.50  530.006   9919.37   529.304   274.841 7.1996  271.835 7.2696  3.005859       10.23143 
1 1 1 0   -13 14 o 172.106 3.4002  3971.37   156.734   4026.92   222.257   3916.41   221.059   173.304 4.7880  170.908 4.8290  2.396042       6.800344 
1 1 1 0   -13 15 o 551.426 10.147  41211.90  1498.62   41581.02  2120.39   40843.50  2118.35   553.919 14.292  548.932 14.408  4.987000       20.29353 
1 1 1 0   -13 16 o 116.110 2.5144  1806.93   78.189    1817.02   111.588   1797.20   109.590   116.428 3.5783  115.793 3.5335  0.6351929      5.028862 
1 1 1 0   -13 17 o 178.470 3.5327  4275.13   168.849   4223.67   239.768   4325.75   237.821   177.401 5.0460  179.539 4.9454  -2.138367      7.065339 
1 1 1 0   -13 18 o 518.188 9.6796  36639.81  1343.43   36270.66  1900.72   37008.30  1899.06   515.527 13.765  520.850 13.612  -5.323120      19.35917 
1 1 1 0   -13 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -13 20 o 194.670 5.4855  5129.97   284.877   5664.50   403.359   4597.98   402.397   204.895 7.3497  184.445 8.1452  20.45038       10.97098 
1 1 1 0   -13 21 o 43.701  1.8178  256.742   21.168    270.194   30.340    243.981   29.549    44.822  2.5376  42.580  2.6034  2.242287       3.635516 
1 1 1 0   -13 22 o 156.749 3.2166  3302.42   135.048   3314.86   191.114   3290.01   190.860   157.044 4.5434  156.453 4.5545  0.5911407      6.433190 
1 1 1 0   -13 23 o 238.170 4.6336  7658.87   295.594   7657.73   417.957   7660.01   418.108   238.153 6.5522  238.188 6.5536  -0.3498840E-01 9.267205 
1 1 1 0   -13 24 o 110.994 2.5478  1654.27   75.742    1634.88   106.906   1673.81   107.326   110.340 3.6173  111.648 3.5889  -1.308380      5.095582 
1 1 1 0   -13 25 o 280.210 5.3468  10645.88  401.300   10612.09  567.094   10679.78  567.956   279.762 7.5679  280.659 7.5552  -0.8965759     10.69369 
1 1 1 0   -13 26 o 56.853  2.0579  434.748   31.227    430.677   43.653    439.015   44.689    56.581  2.8900  57.124  2.9306  -0.5430984     4.115888 
1 1 1 0   -13 27 o 92.927  2.3704  1159.62   58.991    1161.09   82.718    1158.11   84.151    92.989  3.3211  92.865  3.3831  0.1238480      4.740793 
1 1 1 0   -13 28 f 49.640  2.0780  331.575   27.463    307.326   38.224    357.447   39.483    47.754  3.0038  51.527  2.8722  -3.773579      4.155955 
1 1 1 0   -13 29 o 38.376  2.1897  199.327   22.284    205.354   31.025    192.905   32.027    38.992  2.9935  37.761  3.1965  1.230900       4.379355 
1 1 1 0   -13 30 o 38.798  2.2131  203.452   22.794    197.678   31.698    209.634   32.800    38.226  3.1232  39.371  3.1364  -1.144695      4.426175 
1 1 1 0   -13 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -13 32 o 93.584  2.4542  1180.40   61.496    1165.18   85.620    1196.61   88.382    92.967  3.4384  94.201  3.5029  -1.233658      4.908424 
1 1 1 0   -13 33 o 45.490  2.1841  279.942   26.430    272.959   36.442    287.691   38.390    44.896  3.0485  46.084  3.1287  -1.187706      4.368296 
1 1 1 0   -13 34 o 29.367  2.4379  118.523   18.714    120.933   25.427    115.676   27.641    29.737  3.2451  28.997  3.6391  0.7398415      4.875781 
1 1 1 0   -13 35 o 96.069  2.5490  1254.25   65.563    1243.59   91.240    1265.64   94.274    95.664  3.5608  96.474  3.6483  -0.8097000     5.097991 
1 1 1 0   -13 36 o 44.934  2.0206  275.561   23.945    267.539   36.227    281.786   31.910    44.295  3.0724  45.573  2.6253  -1.277245      4.041241 
1 1 1 0   -13 37 o 32.715  2.3196  155.562   18.745    112.549   28.943    186.640   24.602    28.376  3.9121  37.054  2.4934  -8.677841      4.639143 
1 1 1 0   -13 38 o 45.247  2.0895  280.859   24.855    274.457   38.073    285.614   32.812    44.713  3.2002  45.780  2.6877  -1.067165      4.179075 
1 1 1 0   -13 39 o 27.918  2.3488  107.143   16.910    114.986   26.906    102.023   21.740    28.681  3.5805  27.155  3.0411  1.525127       4.697662 
1 1 1 0   -13 40 o 24.220  6.6518  91.066    44.472    91.066    44.472    0.0000    0.0000    24.220  6.6518  ?       ?       ?              ?        
1 1 1 0   -13 41 o 33.625  2.3328  158.262   20.237    157.791   32.182    158.570   26.026    33.423  3.6544  33.828  2.9004  -0.4054947     4.665523 
1 1 1 0   -13 42 o 22.132  2.8426  65.549    15.713    103.254   26.676    45.517    19.444    26.765  3.8303  17.500  4.2013  9.265001       5.685264 
1 1 1 0   -13 43 f 14.806  3.3279  28.910    14.171    46.510    25.361    20.920    17.087    17.297  5.1159  12.315  4.2575  4.981457       6.655753 
1 1 1 0   -13 44 o 15.192  2.8030  38.603    14.685    -8.2625   25.634    61.495    17.916    9.8616  4.4751  20.523  3.3766  -10.66166      5.606054 
1 1 1 0   -13 45 o 24.118  3.0145  86.431    17.931    100.566   31.024    79.341    21.972    25.187  4.7734  23.049  3.6829  2.137829       6.029047 
1 1 1 0   -13 46 o 30.475  2.7237  136.177   20.893    156.853   35.528    125.247   25.831    31.808  4.2786  29.141  3.3716  2.667316       5.447393 
1 1 1 0   -13 47 o 8.9649  2.8556  -2.7022   12.513    1.9797    25.132    -4.2454   14.428    10.399  4.5942  7.5305  3.3928  2.868777       5.711210 
1 1 1 0   -13 48 o 17.424  3.6750  54.571    18.182    49.217    32.197    57.077    22.031    16.280  5.8261  18.568  4.4809  -2.287836      7.350004 
1 1 1 0   -13 49 o 10.952  3.2470  14.056    15.237    4.5072    30.417    17.255    17.605    10.930  4.9252  10.974  4.2325  -0.4412746E-01 6.493972 
1 1 1 0   -12 1  o 227.882 4.3628  6964.06   266.237   6796.94   376.792   7130.69   376.240   225.148 6.2480  230.617 6.0909  -5.468384      8.725687 
1 1 1 0   -12 2  o 371.953 6.8945  18583.82  686.673   19120.21  971.886   18049.16  970.321   377.327 9.6163  366.578 9.8823  10.74893       13.78891 
1 1 1 0   -12 3  o 187.073 3.6639  4690.57   183.586   4704.45   259.774   4676.71   259.485   187.350 5.1767  186.796 5.1863  0.5534058      7.327731 
1 1 1 0   -12 4  o 535.998 9.8156  38694.16  1409.16   39006.80  1993.03   38381.63  1992.67   538.175 13.826  533.821 13.936  4.354004       19.63124 
1 1 1 0   -12 5  o 150.354 3.0171  3029.19   121.497   2986.03   171.577   3072.59   172.070   149.279 4.2911  151.429 4.2424  -2.149231      6.034181 
1 1 1 0   -12 6  o 44.166  2.7182  266.567   29.894    273.211   36.795    253.665   51.271    45.056  3.0672  43.276  4.4885  1.780136       5.436348 
1 1 1 0   -12 7  o 551.284 10.136  40962.91  1495.93   39426.49  2114.11   42503.58  2117.03   540.867 14.593  561.701 14.071  -20.83423      20.27209 
1 1 1 0   -12 8  o 300.608 5.5786  12125.11  449.153   12245.93  635.041   12004.17  635.356   302.109 7.8478  299.106 7.9305  3.002838       11.15714 
1 1 1 0   -12 9  o 172.553 3.3372  3990.25   154.233   3948.56   217.855   4032.15   218.384   171.649 4.7385  173.457 4.7005  -1.808411      6.674380 
1 1 1 0   -12 10 o 132.933 2.7513  2367.74   97.961    2378.93   138.418   2356.51   138.658   133.247 3.8783  132.618 3.9035  0.6296844      5.502623 
1 1 1 0   -12 11 o 434.277 7.9883  25362.73  929.177   25580.16  1314.21   25145.40  1313.90   436.145 11.250  432.408 11.344  3.737183       15.97661 
1 1 1 0   -12 12 o 479.262 8.8803  30927.08  1139.93   31209.97  1612.56   30644.50  1611.64   481.464 12.504  477.061 12.613  4.403534       17.76059 
1 1 1 0   -12 13 o 316.829 5.8851  13477.47  499.405   13634.78  706.867   13320.69  705.664   318.679 8.2812  314.979 8.3642  3.699829       11.77027 
1 1 1 0   -12 14 o 451.432 8.3322  27443.68  1007.46   27210.54  1425.32   27676.46  1424.21   449.504 11.838  453.359 11.728  -3.855225      16.66444 
1 1 1 0   -12 15 o 600.769 11.082  48867.86  1783.19   49269.71  2523.05   48466.79  2520.58   603.261 15.615  598.278 15.729  4.983276       22.16365 
1 1 1 0   -12 16 o 103.108 2.3273  1424.08   64.262    1454.37   91.918    1395.13   89.876    104.180 3.2940  102.036 3.2885  2.143929       4.654583 
1 1 1 0   -12 17 o 286.369 5.3884  11023.75  413.293   11156.97  585.632   10891.58  583.344   288.097 7.5892  284.641 7.6513  3.455688       10.77680 
1 1 1 0   -12 18 o 94.929  2.2403  1207.54   56.955    1227.38   81.295    1188.41   79.820    95.694  3.1717  94.163  3.1648  1.531235       4.480532 
1 1 1 0   -12 19 o 347.189 6.5243  16279.33  606.721   16256.57  858.525   16302.04  857.542   346.943 9.2386  347.435 9.2149  -0.4922791     13.04862 
1 1 1 0   -12 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -12 21 o 20.702  2.3167  59.275    12.315    68.063    17.360    50.372    17.473    22.333  2.9761  19.072  3.5513  3.261759       4.633452 
1 1 1 0   -12 22 o 242.796 4.6658  7950.89   303.406   7835.14   428.816   8066.93   429.348   241.015 6.6426  244.577 6.5540  -3.562103      9.331587 
1 1 1 0   -12 23 o 128.658 2.7984  2223.12   96.431    2236.01   136.076   2210.12   136.674   129.034 3.9372  128.281 3.9777  0.7530060      5.596766 
1 1 1 0   -12 24 o 83.307  2.1855  931.061   48.762    914.084   68.552    948.448   69.374    82.538  3.1008  84.076  3.0806  -1.538208      4.370934 
1 1 1 0   -12 25 o 93.175  2.3292  1165.20   58.125    1157.07   81.555    1173.59   82.863    92.845  3.2794  93.504  3.3086  -0.6585693     4.658493 
1 1 1 0   -12 26 o 239.770 4.6560  7773.46   299.011   7800.51   421.958   7746.16   423.778   240.198 6.5586  239.342 6.6105  0.8562012      9.311989 
1 1 1 0   -12 27 o 58.461  2.0796  458.615   32.487    441.902   44.973    476.853   46.979    57.310  2.9396  59.611  2.9423  -2.300880      4.159147 
1 1 1 0   -12 28 o 90.674  2.3754  1107.68   57.491    1198.04   80.619    1014.17   82.009    94.462  3.1863  86.887  3.5238  7.574860       4.750810 
1 1 1 0   -12 29 o 145.576 3.1193  2853.29   121.618   2813.35   170.754   2894.42   173.260   144.542 4.4105  146.609 4.4121  -2.067520      6.238554 
1 1 1 0   -12 30 o 176.706 3.6465  4219.31   172.575   4244.34   242.765   4193.74   245.371   177.249 5.1134  176.163 5.2002  1.085999       7.293090 
1 1 1 0   -12 31 f 79.063  2.2910  840.655   48.492    835.211   67.407    846.494   69.812    78.803  3.1936  79.324  3.2858  -0.5206070     4.582047 
1 1 1 0   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -12 33 o 87.190  2.3902  1025.06   55.795    998.631   77.496    1053.49   80.397    86.028  3.3632  88.353  3.3973  -2.324814      4.780422 
1 1 1 0   -12 34 o 95.904  2.3720  1241.22   60.868    1300.06   88.550    1188.52   83.807    98.050  3.3717  93.759  3.3372  4.291084       4.743983 
1 1 1 0   -12 35 o 7.2175  2.2635  -4.9884   8.9149    -15.1220  14.608    1.0257    11.254    6.7682  3.1768  7.6667  3.2250  -0.8985176     4.526936 
1 1 1 0   -12 36 o 16.681  2.7634  37.791    11.870    48.110    19.515    31.731    14.954    18.400  4.0677  14.961  3.7414  3.439091       5.526737 
1 1 1 0   -12 37 o 27.089  2.4802  106.883   16.483    82.084    25.988    123.574   21.320    24.094  4.1783  30.084  2.6737  -5.989973      4.960480 
1 1 1 0   -12 38 o 64.710  2.1384  570.022   36.822    575.924   55.437    565.362   49.258    64.948  3.1867  64.472  2.8524  0.4758301      4.276893 
1 1 1 0   -12 39 o 55.292  2.1000  412.507   30.756    476.565   46.978    364.454   40.688    58.998  2.9825  51.585  2.9571  7.413277       4.199973 
1 1 1 0   -12 40 o 18.243  3.8563  47.574    19.510    44.125    23.979    54.328    33.556    17.345  4.9292  19.140  5.9320  -1.795034      7.712680 
1 1 1 0   -12 41 o 37.177  2.3805  197.027   22.433    178.019   36.223    208.854   28.572    35.429  3.8806  38.925  2.7583  -3.496265      4.761003 
1 1 1 0   -12 42 o 32.765  2.6863  163.229   21.152    119.005   33.911    191.391   27.061    28.363  4.6229  37.166  2.7376  -8.803038      5.372698 
1 1 1 0   -12 43 o 27.864  2.7627  111.811   19.193    118.249   32.357    108.316   23.840    28.164  4.4360  27.563  3.2944  0.6011486      5.525500 
1 1 1 0   -12 44 o 29.253  2.6224  118.416   19.462    156.076   32.857    98.064    24.155    32.589  3.8377  25.916  3.5749  6.673655       5.244805 
1 1 1 0   -12 45 o 20.413  3.3630  67.073    17.496    64.100    29.508    68.686    21.728    19.562  5.4363  21.264  3.9606  -1.702276      6.726064 
1 1 1 0   -12 46 o 22.721  3.2813  78.069    18.240    97.593    32.674    69.230    21.985    24.259  5.1858  21.183  4.0218  3.075628       6.562610 
1 1 1 0   -12 47 o 9.1960  2.8470  1.1743    13.318    -21.2875  26.293    8.9259    15.446    8.7889  4.1665  9.6032  3.8808  -0.8142986     5.693904 
1 1 1 0   -12 48 o 11.538  3.3373  16.023    15.646    11.416    29.022    17.910    18.576    11.694  5.0553  11.381  4.3582  0.3130283      6.674550 
1 1 1 0   -12 49 f 6.5830  2.3247  -33.3289  13.168    -38.0775  26.559    -31.7810  15.163    7.6991  3.7760  5.4669  2.7127  2.232174       4.649386 
1 1 1 0   -11 1  o 224.945 4.2999  6783.69   259.072   6804.46   366.790   6763.02   365.977   225.289 6.0784  224.602 6.0835  0.6871948      8.599732 
1 1 1 0   -11 2  o 115.529 2.5177  1788.45   77.890    1748.60   110.323   1828.06   109.983   114.245 3.6053  116.812 3.5152  -2.567719      5.035360 
1 1 1 0   -11 3  o 415.852 7.6667  23241.08  853.776   23808.78  1207.94   22674.36  1206.90   420.944 10.714  410.761 10.970  10.18344       15.33342 
1 1 1 0   -11 4  o 341.640 6.3044  15667.50  576.898   15581.85  815.685   15753.22  816.031   340.704 8.9383  342.577 8.8932  -1.872498      12.60885 
1 1 1 0   -11 5  o 331.207 6.1295  14724.06  543.725   14504.45  768.548   14944.12  769.339   328.729 8.7286  333.685 8.6078  -4.955353      12.25897 
1 1 1 0   -11 6  o 298.684 5.5568  11969.37  444.551   11908.57  628.406   12030.28  628.973   297.924 7.8749  299.444 7.8420  -1.520874      11.11356 
1 1 1 0   -11 7  o 100.284 2.2227  1347.22   59.703    1338.82   84.223    1355.71   84.643    99.970  3.1454  100.598 3.1413  -0.6287613     4.445384 
1 1 1 0   -11 8  o 154.800 3.0824  3211.04   127.803   3211.41   180.538   3210.67   180.945   154.809 4.3539  154.791 4.3643  0.1786804E-01  6.164711 
1 1 1 0   -11 9  o 330.387 6.0999  14651.15  539.786   14795.38  763.342   14506.90  763.404   332.017 8.5836  328.757 8.6694  3.260010       12.19989 
1 1 1 0   -11 10 o 546.941 10.057  40304.44  1473.32   40135.66  2083.45   40473.27  2083.73   545.789 14.252  548.093 14.194  -2.304138      20.11408 
1 1 1 0   -11 11 o 315.437 5.8829  13355.12  496.930   13692.01  703.238   13019.13  702.292   319.418 8.2197  311.455 8.4185  7.963104       11.76578 
1 1 1 0   -11 12 o 414.687 7.6724  23115.02  852.155   23385.57  1205.79   22845.06  1204.47   417.119 10.792  412.255 10.908  4.864624       15.34472 
1 1 1 0   -11 13 o 247.048 4.6734  8185.28   309.229   8304.10   438.167   8067.38   436.468   248.836 6.5741  245.260 6.6441  3.576035       9.346844 
1 1 1 0   -11 14 o 446.657 8.2240  26842.91  983.891   26900.10  1392.43   26785.89  1390.44   447.133 11.626  446.181 11.635  0.9517212      16.44804 
1 1 1 0   -11 15 o 283.325 5.3487  10773.85  405.898   10741.19  575.007   10806.29  573.051   282.895 7.5886  283.755 7.5398  -0.8598938     10.69743 
1 1 1 0   -11 16 o 65.788  1.8970  579.131   33.355    634.604   48.039    527.495   46.348    68.827  2.6058  62.749  2.7576  6.077644       3.794039 
1 1 1 0   -11 17 o 151.475 3.0941  3075.68   125.532   3105.29   178.210   3046.51   176.855   152.198 4.3715  150.751 4.3799  1.447525       6.188224 
1 1 1 0   -11 18 o 337.941 6.3296  15376.11  572.787   14967.75  810.018   15784.53  810.069   333.429 9.0699  342.453 8.8315  -9.023346      12.65929 
1 1 1 0   -11 19 o 62.627  1.9031  525.698   31.915    511.991   45.170    539.362   45.099    61.812  2.7283  63.443  2.6540  -1.631729      3.806200 
1 1 1 0   -11 20 o 43.616  1.8203  255.843   21.169    252.739   29.957    258.939   29.918    43.349  2.5919  43.882  2.5565  -0.5328178     3.640562 
1 1 1 0   -11 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -11 22 o 172.380 3.4715  3993.80   160.281   3966.95   226.169   4020.88   227.176   171.797 4.9151  172.962 4.9037  -1.165283      6.942909 
1 1 1 0   -11 23 o 107.504 2.4906  1551.70   71.684    1591.73   100.879   1510.88   101.881   108.909 3.4582  106.099 3.5850  2.810234       4.981107 
1 1 1 0   -11 24 o 79.578  2.1548  849.757   45.914    857.854   64.310    841.339   65.573    79.967  3.0025  79.189  3.0915  0.7775116      4.309546 
1 1 1 0   -11 25 o 149.125 3.1339  2989.79   125.167   2939.96   176.031   3040.75   178.013   147.867 4.4446  150.384 4.4194  -2.516708      6.267773 
1 1 1 0   -11 26 o 116.805 2.6620  1833.20   83.260    1855.65   116.865   1810.06   118.651   117.536 3.7121  116.074 3.8164  1.462723       5.323965 
1 1 1 0   -11 27 o 57.974  2.1158  452.355   32.731    466.661   45.456    436.951   47.168    58.974  2.8776  56.974  3.1026  2.000828       4.231658 
1 1 1 0   -11 28 o 161.888 3.3721  3529.11   146.209   3527.44   205.603   3530.81   207.958   161.855 4.7426  161.922 4.7949  -0.6748962E-01 6.744135 
1 1 1 0   -11 29 f 34.997  2.2324  165.101   20.656    154.195   28.152    177.820   30.402    33.741  3.1516  36.253  3.1626  -2.512196      4.464804 
1 1 1 0   -11 30 o 102.666 2.5190  1416.58   69.251    1384.22   96.640    1450.74   99.284    101.462 3.5560  103.870 3.5686  -2.407951      5.037903 
1 1 1 0   -11 31 o 42.923  2.1718  248.809   24.790    237.835   34.708    260.238   35.421    41.947  3.1113  43.898  3.0310  -1.951256      4.343659 
1 1 1 0   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -11 33 o 22.203  2.6922  72.913    14.724    48.250    22.480    91.440    19.485    18.498  4.5651  25.908  2.8552  -7.410818      5.384449 
1 1 1 0   -11 34 o 40.593  2.0010  222.067   21.439    231.530   32.772    214.987   28.346    41.324  2.9808  39.862  2.6703  1.462040       4.001975 
1 1 1 0   -11 35 o 27.882  2.3188  108.283   16.472    99.175    25.884    114.481   21.354    26.776  3.7086  28.989  2.7844  -2.212635      4.637542 
1 1 1 0   -11 36 o 33.354  2.1044  151.898   18.204    151.844   28.805    151.934   23.490    33.282  3.2736  33.425  2.6453  -0.1428833     4.208808 
1 1 1 0   -11 37 o 62.508  2.1261  533.735   35.203    514.028   52.880    549.419   47.176    61.358  3.2289  63.658  2.7668  -2.300129      4.252163 
1 1 1 0   -11 38 o 60.561  2.1073  495.729   33.945    529.474   51.739    470.224   44.980    62.317  3.0997  58.806  2.8557  3.511211       4.214622 
1 1 1 0   -11 39 o 31.080  2.4025  137.399   18.806    120.453   30.034    148.329   24.120    29.265  3.9310  32.896  2.7630  -3.630867      4.804900 
1 1 1 0   -11 40 o 54.129  2.1639  401.551   30.909    414.018   47.595    392.459   40.646    54.758  3.2598  53.500  2.8467  1.257603       4.327828 
1 1 1 0   -11 41 o 31.447  2.3825  134.137   19.254    158.523   31.825    120.058   24.181    33.555  3.5970  29.340  3.1251  4.215200       4.764946 
1 1 1 0   -11 42 o 17.055  3.0663  46.585    14.276    27.682    24.416    56.404    17.598    14.285  5.0776  19.824  3.4388  -5.539491      6.132506 
1 1 1 0   -11 43 o 20.589  3.2449  64.537    16.773    63.381    28.614    65.142    20.704    20.101  5.2554  21.076  3.8076  -0.9745941     6.489739 
1 1 1 0   -11 44 o 14.319  2.9697  32.686    14.437    -0.7012   25.034    49.324    17.672    10.454  4.6036  18.184  3.7528  -7.729568      5.939401 
1 1 1 0   -11 45 o 23.021  3.3138  88.975    18.457    68.285    32.478    98.844    22.431    19.990  5.7546  26.052  3.2878  -6.062130      6.627581 
1 1 1 0   -11 46 o 16.795  3.4298  48.231    16.406    35.654    28.978    54.164    19.903    14.945  5.5016  18.645  4.0972  -3.699679      6.859638 
1 1 1 0   -11 47 o 13.883  3.3732  18.419    15.373    60.510    28.922    1.8429    18.150    18.622  5.4507  9.1447  3.9754  9.477130       6.746429 
1 1 1 0   -11 48 o 11.665  3.3596  10.338    15.505    34.876    28.752    0.2759    18.411    14.409  5.4447  8.9215  3.9373  5.487049       6.719169 
1 1 1 0   -11 49 o 32.549  3.0499  169.262   24.442    189.026   42.588    159.553   29.848    32.976  4.9766  32.121  3.5273  0.8544960      6.099823 
1 1 1 0   -10 1  o 435.301 8.0105  25473.45  933.903   25871.46  1321.41   25076.24  1320.06   438.710 11.245  431.892 11.411  6.818665       16.02100 
1 1 1 0   -10 2  o 231.908 4.4081  7213.68   273.619   7538.50   387.460   6890.56   386.454   237.123 6.1005  226.692 6.3646  10.43040       8.816142 
1 1 1 0   -10 3  o 527.281 9.6876  37444.38  1368.19   37308.80  1934.81   37579.98  1935.01   526.321 13.725  528.241 13.676  -1.919739      19.37525 
1 1 1 0   -10 4  o 707.389 12.973  67700.80  2458.00   67806.28  3476.08   67595.33  3476.20   707.945 18.332  706.832 18.361  1.113525       25.94571 
1 1 1 0   -10 5  o 430.354 7.9412  24900.42  915.290   24498.23  1293.91   25303.25  1294.93   426.863 11.317  433.846 11.143  -6.982513      15.88231 
1 1 1 0   -10 6  o 226.240 4.2558  6862.58   257.886   6910.31   364.539   6814.77   364.874   227.028 5.9948  225.451 6.0423  1.576889       8.511571 
1 1 1 0   -10 7  o 174.205 3.3798  4067.14   157.700   4082.33   222.840   4051.90   223.204   174.531 4.7668  173.879 4.7925  0.6524048      6.759532 
1 1 1 0   -10 8  o 141.343 2.8240  2676.84   106.910   2685.25   151.082   2668.41   151.305   141.566 3.9844  141.121 4.0029  0.4449310      5.647919 
1 1 1 0   -10 9  o 269.424 4.9991  9736.32   360.759   9741.89   510.196   9730.74   510.183   269.502 7.0678  269.347 7.0717  0.1545105      9.998178 
1 1 1 0   -10 10 o 585.200 10.743  46185.63  1683.85   46260.10  2381.53   46111.18  2381.13   585.675 15.181  584.726 15.203  0.9494019      21.48528 
1 1 1 0   -10 11 o 25.350  1.7261  88.228    11.342    71.245    16.315    104.110   15.778    22.902  2.7124  27.798  2.1354  -4.895857      3.452143 
1 1 1 0   -10 12 o 241.474 4.5547  7818.83   294.589   7822.19   417.371   7815.49   415.855   241.525 6.4517  241.423 6.4309  0.1024933      9.109385 
1 1 1 0   -10 13 o 369.074 6.8489  18295.54  677.032   18162.05  958.278   18428.58  956.659   367.725 9.7293  370.423 9.6421  -2.697876      13.69773 
1 1 1 0   -10 14 o 680.151 12.564  62589.27  2288.06   60758.51  3235.32   64421.15  3236.30   670.100 18.026  690.203 17.506  -20.10266      25.12717 
1 1 1 0   -10 15 o 516.982 9.5315  36015.08  1319.83   35812.13  1867.15   36217.75  1865.89   515.516 13.522  518.448 13.437  -2.931458      19.06290 
1 1 1 0   -10 16 o 51.560  1.8404  356.558   25.368    357.803   36.247    355.363   35.516    51.615  2.6306  51.505  2.5744  0.1091270      3.680709 
1 1 1 0   -10 17 o 342.552 6.3957  15772.04  586.725   15449.08  829.620   16095.20  829.889   339.031 9.1359  346.073 8.9529  -7.041534      12.79135 
1 1 1 0   -10 18 o 145.607 3.0223  2842.16   117.864   2808.76   166.545   2875.67   166.826   144.749 4.2956  146.464 4.2525  -1.715530      6.044510 
1 1 1 0   -10 19 o 237.892 4.5606  7601.65   290.528   7396.49   410.410   7807.72   411.328   234.666 6.5295  241.118 6.3690  -6.452377      9.121285 
1 1 1 0   -10 20 o 252.651 4.8229  8584.03   326.366   8497.41   461.006   8671.06   462.098   251.370 6.8471  253.933 6.7940  -2.563553      9.645769 
1 1 1 0   -10 21 o 95.036  3.2195  1212.31   81.948    1201.56   115.148   1223.33   116.650   94.610  4.5439  95.462  4.5621  -0.8523254     6.438972 
1 1 1 0   -10 22 o 66.848  2.8968  601.821   51.605    590.226   72.018    614.058   73.983    66.185  4.0824  67.511  4.1110  -1.325188      5.793609 
1 1 1 0   -10 23 o 92.403  2.2960  1145.93   56.801    1168.77   79.678    1122.33   80.996    93.342  3.1869  91.464  3.3062  1.878891       4.592093 
1 1 1 0   -10 24 o 202.638 4.0079  5532.76   217.454   5682.95   306.786   5381.12   308.271   205.422 5.5757  199.855 5.7588  5.566757       8.015726 
1 1 1 0   -10 25 o 64.649  2.0292  560.999   35.112    573.061   49.084    548.357   50.249    65.363  2.8036  63.934  2.9343  1.429073       4.058372 
1 1 1 0   -10 26 f 238.053 4.6395  7658.42   295.820   7624.84   417.312   7692.33   419.400   237.529 6.5593  238.577 6.5631  -1.047684      9.278951 
1 1 1 0   -10 27 o 185.724 3.7609  4649.19   187.068   4699.85   263.540   4597.75   265.582   186.755 5.2685  184.693 5.3686  2.061508       7.521864 
1 1 1 0   -10 28 o 58.146  2.1320  454.868   33.074    451.675   45.990    458.289   47.600    57.938  2.9736  58.354  3.0560  -0.4160652     4.263950 
1 1 1 0   -10 29 o 12.839  3.1695  19.698    13.381    20.299    18.130    18.980    19.832    12.836  4.3878  12.842  4.5750  -0.6528854E-02 6.339016 
1 1 1 0   -10 30 o 44.305  1.9883  261.598   23.333    301.831   35.111    229.776   31.226    47.336  2.7814  41.273  2.8419  6.063316       3.976548 
1 1 1 0   -10 31 o 121.866 2.7417  2001.10   89.415    1977.72   128.738   2022.88   124.283   121.161 3.9669  122.569 3.7856  -1.407867      5.483379 
1 1 1 0   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -10 33 o 89.201  2.3700  1076.17   56.402    1029.33   82.388    1117.47   77.377    87.337  3.5219  91.065  3.1723  -3.727425      4.739960 
1 1 1 0   -10 34 o 27.157  2.3947  107.081   15.903    76.948    24.599    128.715   20.844    23.495  4.0555  30.819  2.5479  -7.323336      4.789447 
1 1 1 0   -10 35 o 26.315  2.2697  95.542    15.286    92.692    24.121    97.455    19.760    25.905  3.5713  26.725  2.8021  -0.8201141     4.539407 
1 1 1 0   -10 36 o 26.800  2.2445  97.792    15.600    104.662   24.361    93.016    20.311    27.556  3.3709  26.043  2.9645  1.512974       4.489005 
1 1 1 0   -10 37 o 38.451  2.0761  198.424   20.988    224.904   32.775    180.018   27.326    40.575  3.0378  36.327  2.8307  4.248016       4.152280 
1 1 1 0   -10 38 o 66.747  2.1507  599.133   38.200    682.667   58.116    535.590   50.688    70.782  3.0654  62.712  3.0176  8.070152       4.301453 
1 1 1 0   -10 39 f 36.158  2.2464  182.829   20.952    166.873   32.684    193.960   27.300    34.655  3.5723  37.661  2.7247  -3.005844      4.492814 
1 1 1 0   -10 40 o 21.751  3.6632  69.197    20.380    66.859    25.380    73.442    34.195    21.411  4.5650  22.091  5.7303  -0.6806698     7.326332 
1 1 1 0   -10 41 o 29.747  2.6632  131.967   19.245    101.677   30.886    151.189   24.605    26.411  4.5291  33.083  2.8031  -6.672131      5.326364 
1 1 1 0   -10 42 o 22.518  2.9061  70.664    16.218    87.026    27.991    62.395    19.899    24.265  4.4716  20.771  3.7130  3.493887       5.812194 
1 1 1 0   -10 43 o 21.344  3.1061  66.084    16.636    78.485    27.926    59.261    20.713    22.694  4.7468  19.994  4.0073  2.699871       6.212104 
1 1 1 0   -10 44 o 10.009  2.9602  5.5796    12.141    10.107    22.829    3.7941    14.337    11.275  4.6562  8.7423  3.6565  2.532724       5.920355 
1 1 1 0   -10 45 o 20.801  3.1649  59.598    16.439    99.727    29.603    41.707    19.767    25.317  4.5320  16.286  4.4189  9.030619       6.329741 
1 1 1 0   -10 46 o 12.104  3.2899  19.520    14.397    13.299    27.227    21.934    16.962    12.004  5.0312  12.205  4.2406  -0.2012558     6.579900 
1 1 1 0   -10 47 o 13.975  3.9503  26.085    24.076    43.761    31.015    -0.7186   38.191    15.946  5.7169  12.005  5.4532  3.940995       7.900681 
1 1 1 0   -10 48 o 25.076  3.4149  105.405   20.502    102.838   36.632    106.576   24.740    23.708  5.8132  26.445  3.5852  -2.737175      6.829865 
1 1 1 0   -10 49 o 11.553  3.3033  18.335    16.393    -3.0361   31.506    26.269    19.196    10.496  4.8368  12.611  4.5002  -2.115293      6.606529 
1 1 1 0   -9  1  o 293.628 5.5044  11568.28  432.898   11661.70  612.610   11475.10  611.810   294.814 7.7580  292.442 7.8107  2.371796       11.00873 
1 1 1 0   -9  2  f 114.705 2.4812  1762.82   76.224    1795.94   107.961   1729.89   107.634   115.780 3.4813  113.630 3.5364  2.149811       4.962442 
1 1 1 0   -9  3  o 293.745 5.4793  11577.78  431.108   11594.64  609.624   11560.91  609.734   293.960 7.7426  293.531 7.7553  0.4287415      10.95865 
1 1 1 0   -9  4  o 103.729 2.2747  1441.44   63.197    1426.47   89.191    1456.53   89.558    103.188 3.2270  104.270 3.2067  -1.081970      4.549333 
1 1 1 0   -9  5  o 399.433 7.3851  21441.88  790.107   21313.94  1117.12   21569.95  1117.64   398.237 10.473  400.629 10.415  -2.392181      14.77027 
1 1 1 0   -9  6  o 285.316 5.3143  10922.93  406.066   11132.67  574.231   10713.14  574.298   288.061 7.4424  282.572 7.5879  5.489807       10.62851 
1 1 1 0   -9  7  o 303.845 5.6320  12389.30  458.351   12455.81  648.115   12322.75  648.298   304.662 7.9423  303.027 7.9874  1.635193       11.26400 
1 1 1 0   -9  8  o 272.145 5.1182  9935.94   373.054   10089.84  527.684   9782.15   527.473   274.256 7.1834  270.035 7.2928  4.220856       10.23648 
1 1 1 0   -9  9  f 180.185 3.5034  4352.17   169.027   4484.90   239.290   4220.00   238.790   182.929 4.8837  177.441 5.0243  5.488586       7.006745 
1 1 1 0   -9  10 o 697.917 12.847  65908.88  2401.47   66220.15  3396.86   65597.85  3395.52   699.580 18.128  696.254 18.208  3.326111       25.69320 
1 1 1 0   -9  11 o 558.622 10.271  42068.79  1536.57   41294.03  2173.18   42843.34  2172.89   553.445 14.660  563.800 14.389  -10.35498      20.54145 
1 1 1 0   -9  12 o 321.579 5.9688  13879.66  514.114   13972.96  728.019   13786.84  726.118   322.659 8.4239  320.500 8.4585  2.158997       11.93762 
1 1 1 0   -9  13 o 292.599 5.4889  11487.88  430.126   11299.00  608.956   11675.94  607.626   290.193 7.8345  295.004 7.6899  -4.810883      10.97785 
1 1 1 0   -9  14 o 255.982 4.8595  8790.61   333.069   8530.22   471.360   9050.28   470.703   252.189 6.9781  259.775 6.7649  -7.585403      9.718932 
1 1 1 0   -9  15 o 213.404 4.1303  6105.72   236.083   6145.88   334.090   6065.67   333.654   214.105 5.8257  212.702 5.8565  1.402908       8.260542 
1 1 1 0   -9  16 o 300.079 5.6225  12086.54  451.866   11870.06  638.747   12303.42  639.323   297.384 8.0190  302.775 7.8834  -5.391113      11.24509 
1 1 1 0   -9  17 o 323.343 6.0528  14041.90  524.190   13867.61  740.878   14216.59  741.754   321.329 8.6081  325.357 8.5116  -4.028381      12.10566 
1 1 1 0   -9  18 o 446.587 8.2579  26877.87  987.784   26767.26  1396.40   26988.66  1397.48   445.663 11.698  447.512 11.659  -1.848663      16.51577 
1 1 1 0   -9  19 o 188.200 3.7212  4751.94   187.555   4833.38   264.753   4669.90   265.737   189.822 5.2072  186.578 5.3174  3.244034       7.442432 
1 1 1 0   -9  20 o 292.402 5.5336  11504.92  433.387   11467.75  612.162   11542.27  613.643   291.928 7.8289  292.876 7.8224  -0.9480591     11.06719 
1 1 1 0   -9  21 o 227.195 4.3935  6940.01   267.353   6874.30   377.287   7006.29   378.907   226.113 6.2296  228.278 6.1970  -2.165024      8.786910 
1 1 1 0   -9  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -9  23 o 64.775  1.9962  562.862   34.618    574.343   48.567    551.005   49.358    65.449  2.7704  64.102  2.8747  1.346405       3.992407 
1 1 1 0   -9  24 f 233.906 4.5515  7381.61   285.085   7555.11   402.552   7207.04   403.794   236.686 6.3498  231.125 6.5226  5.560867       9.103005 
1 1 1 0   -9  25 o 58.405  1.9924  458.772   31.065    480.050   43.524    436.676   44.353    59.828  2.7160  56.981  2.9158  2.847221       3.984813 
1 1 1 0   -9  26 o 21.461  2.5304  64.001    13.937    71.441    19.358    55.993    20.082    22.843  3.2559  20.079  3.8744  2.764414       5.060826 
1 1 1 0   -9  27 o 50.646  2.0728  345.770   27.953    355.928   38.838    334.851   40.264    51.430  2.8302  49.861  3.0292  1.568432       4.145637 
1 1 1 0   -9  28 o 25.898  2.6112  98.557    16.314    62.415    24.583    127.003   21.809    21.143  4.4802  30.652  2.6834  -9.509560      5.222305 
1 1 1 0   -9  29 o 104.035 2.4517  1452.10   68.272    1505.86   98.773    1402.93   94.473    105.874 3.4830  102.195 3.4514  3.679680       4.903416 
1 1 1 0   -9  30 o 88.229  2.2548  1041.04   52.940    1219.27   77.528    885.324   72.464    95.285  3.0377  81.172  3.3329  14.11335       4.509563 
1 1 1 0   -9  31 o 89.439  2.2935  1073.09   54.873    1122.68   80.105    1029.25   75.321    91.378  3.2729  87.500  3.2138  3.878685       4.586973 
1 1 1 0   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -9  33 o 49.697  2.1002  338.108   27.363    303.738   41.285    365.038   36.543    47.360  3.2747  52.034  2.6305  -4.674503      4.200378 
1 1 1 0   -9  34 o 32.435  2.1540  144.962   18.087    132.974   27.878    153.677   23.769    31.191  3.3916  33.679  2.6565  -2.487431      4.308090 
1 1 1 0   -9  35 o 25.434  2.3133  87.613    15.224    97.948    23.771    80.426    19.823    26.679  3.4042  24.190  3.1332  2.489050       4.626578 
1 1 1 0   -9  36 o 73.951  2.1915  739.607   43.229    761.524   64.514    721.748   58.236    74.908  3.2154  72.994  2.9787  1.914131       4.383072 
1 1 1 0   -9  37 o 54.425  2.0898  403.242   30.052    399.848   45.895    405.791   39.762    54.122  3.1800  54.729  2.7125  -0.6069794     4.179672 
1 1 1 0   -9  38 o 24.421  2.5866  85.776    15.727    73.759    24.943    93.707    20.263    22.758  4.2482  26.085  2.9522  -3.327301      5.173225 
1 1 1 0   -9  39 o 15.765  2.8247  30.384    12.495    59.942    20.899    13.941    15.588    20.497  3.9500  11.032  4.0390  9.464547       5.649447 
1 1 1 0   -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -9  41 o 22.342  2.9904  78.311    16.278    53.834    26.891    92.465    20.449    18.938  5.1606  25.746  3.0229  -6.808540      5.980808 
1 1 1 0   -9  42 o 24.733  2.8440  88.381    17.403    90.258    29.279    87.356    21.641    24.652  4.6035  24.815  3.3409  -0.1628914     5.688015 
1 1 1 0   -9  43 o 8.8453  2.6819  -1.1917   12.157    -23.1403  21.270    9.4553    14.814    7.8380  3.7250  9.8527  3.8594  -2.014650      5.363828 
1 1 1 0   -9  44 o 19.715  3.2525  66.214    16.844    40.038    28.983    79.564    20.699    16.028  5.5447  23.402  3.4018  -7.373877      6.505067 
1 1 1 0   -9  45 o 37.945  2.6445  217.117   24.896    196.180   41.366    229.009   31.175    35.791  4.4083  40.100  2.9226  -4.309528      5.289077 
1 1 1 0   -9  46 o 25.279  3.1194  97.016    19.269    109.556   33.786    90.971    23.459    25.925  5.0471  24.633  3.6673  1.292046       6.238818 
1 1 1 0   -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -9  48 o 8.8099  2.7493  -4.2603   14.109    -44.2519  26.846    11.000    16.583    7.5950  3.7390  10.025  4.0317  -2.429780      5.498634 
1 1 1 0   -9  49 o 17.140  3.4564  36.085    17.503    106.136   33.766    10.345    20.468    24.009  5.3835  10.270  4.3364  13.73878       6.912776 
1 1 1 0   -8  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -8  2  o 189.630 5.2397  4827.25   265.824   5112.95   376.892   4544.44   374.978   195.226 7.2076  184.035 7.6071  11.19096       10.47936 
1 1 1 0   -8  3  o 141.248 2.8614  2673.38   108.252   2645.56   152.923   2701.31   153.261   140.511 4.0633  141.984 4.0300  -1.473389      5.722834 
1 1 1 0   -8  4  o 211.367 4.0263  5989.88   227.936   6048.60   322.226   5931.06   322.474   212.405 5.6638  210.329 5.7241  2.076294       8.052562 
1 1 1 0   -8  5  o 268.081 5.0196  9641.08   360.428   9577.73   509.507   9704.53   509.936   267.198 7.1192  268.963 7.0784  -1.765442      10.03922 
1 1 1 0   -8  6  o 235.952 6.2855  7475.36   397.228   7550.68   563.394   7400.91   560.151   237.135 8.8701  234.769 8.9079  2.366196       12.57096 
1 1 1 0   -8  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -8  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -8  9  o 176.052 3.4265  4154.07   161.561   4226.41   228.974   4082.34   227.993   177.579 4.8140  174.524 4.8773  3.054672       6.852904 
1 1 1 0   -8  10 o 527.379 9.6882  37474.82  1368.50   37762.93  1936.31   37187.27  1934.40   529.415 13.655  525.343 13.747  4.072083       19.37633 
1 1 1 0   -8  11 o 141.419 2.8951  2680.10   109.650   2654.75   155.737   2705.03   154.408   140.755 4.1309  142.083 4.0573  -1.328186      5.790146 
1 1 1 0   -8  12 o 312.767 5.8297  13129.22  488.329   13369.17  691.444   12890.44  689.761   315.623 8.1790  309.911 8.3095  5.712830       11.65945 
1 1 1 0   -8  13 o 233.313 4.4363  7299.35   277.220   7214.59   392.322   7383.88   391.776   231.958 6.3146  234.667 6.2330  -2.709427      8.872653 
1 1 1 0   -8  14 o 206.777 3.9974  5731.69   221.398   5727.84   313.051   5735.54   313.157   206.707 5.6542  206.846 5.6523  -0.1388397     7.994898 
1 1 1 0   -8  15 o 211.774 4.0967  6012.60   232.376   6042.39   328.378   5982.71   328.880   212.301 5.7748  211.248 5.8124  1.052460       8.193401 
1 1 1 0   -8  16 o 356.083 6.6283  17029.53  632.175   16924.86  893.464   17134.47  894.597   354.984 9.3968  357.181 9.3508  -2.196350      13.25660 
1 1 1 0   -8  17 o 363.333 6.7663  17738.19  658.433   17457.16  930.351   18020.21  931.981   360.441 9.6366  366.224 9.5010  -5.783478      13.53269 
1 1 1 0   -8  18 o 175.069 3.5032  4108.99   164.239   3998.18   231.586   4221.12   232.959   172.693 5.0067  177.446 4.9014  -4.753464      7.006488 
1 1 1 0   -8  19 o 118.007 2.6232  1866.19   82.911    1841.98   116.701   1890.87   117.815   117.234 3.7165  118.780 3.7031  -1.546082      5.246447 
1 1 1 0   -8  20 o 326.953 6.1392  14392.30  537.631   14343.39  759.680   14441.37  760.972   326.395 8.6896  327.511 8.6747  -1.115936      12.27839 
1 1 1 0   -8  21 o 190.080 3.7715  4852.83   191.966   4970.91   270.998   4733.91   271.965   192.408 5.2584  187.751 5.4080  4.656906       7.543062 
1 1 1 0   -8  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -8  23 o 43.303  1.8803  252.411   21.694    255.384   30.363    249.310   31.007    43.568  2.6139  43.038  2.7035  0.5303192      3.760546 
1 1 1 0   -8  24 o 212.865 4.1798  6104.74   238.296   6174.96   336.366   6033.99   337.642   214.104 5.8654  211.627 5.9566  2.477203       8.359643 
1 1 1 0   -8  25 o 187.342 3.7600  4725.33   188.674   4715.25   266.060   4735.54   267.597   187.143 5.3078  187.542 5.3271  -0.3987274     7.520087 
1 1 1 0   -8  26 o 106.276 2.4933  1518.35   70.877    1468.38   101.814   1565.34   98.728    104.569 3.6351  107.984 3.4135  -3.414490      4.986544 
1 1 1 0   -8  27 o 156.918 3.3158  3321.50   138.989   3078.16   198.136   3557.25   195.022   151.213 4.8920  162.624 4.4773  -11.41040      6.631536 
1 1 1 0   -8  28 o 110.015 2.5995  1629.75   76.415    1547.07   110.049   1706.72   106.189   107.300 3.8291  112.730 3.5168  -5.429909      5.199067 
1 1 1 0   -8  29 o 193.019 3.8887  5030.24   200.933   4897.51   286.309   5159.07   282.062   190.478 5.6118  195.559 5.3849  -5.081116      7.777479 
1 1 1 0   -8  30 o 76.850  2.1708  793.205   44.575    792.172   65.335    794.105   60.969    76.796  3.1763  76.905  2.9598  -0.1085358     4.341587 
1 1 1 0   -8  31 o 148.718 3.1293  2981.14   124.611   3072.08   178.924   2895.48   173.647   150.918 4.4263  146.517 4.4248  4.401718       6.258641 
1 1 1 0   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -8  33 o 36.116  2.0822  173.930   19.771    197.041   30.708    157.566   25.839    38.134  3.0315  34.099  2.8554  4.034370       4.164463 
1 1 1 0   -8  34 o 73.277  2.1369  720.317   41.814    776.075   62.166    674.249   56.507    75.846  3.0601  70.708  2.9836  5.137924       4.273879 
1 1 1 0   -8  35 o 43.606  2.0907  262.555   23.757    230.393   36.020    287.316   31.606    41.121  3.2982  46.092  2.5703  -4.971512      4.181447 
1 1 1 0   -8  36 o 20.852  2.6004  57.318    13.648    86.340    22.200    39.684    17.304    24.984  3.4062  16.721  3.9301  8.263191       5.200759 
1 1 1 0   -8  37 o 51.948  2.2540  382.501   29.920    292.658   45.328    451.871   39.830    46.111  3.7012  57.785  2.5734  -11.67388      4.507908 
1 1 1 0   -8  38 o 46.110  2.1147  288.749   25.641    301.848   39.926    279.554   33.451    46.933  3.1951  45.288  2.7710  1.645370       4.229301 
1 1 1 0   -8  39 o 62.865  2.2585  547.023   37.301    508.285   56.941    576.143   49.369    60.704  3.5171  65.026  2.8345  -4.321823      4.517100 
1 1 1 0   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -8  41 o 60.496  2.2455  502.764   35.862    531.002   55.794    482.887   46.812    61.763  3.3855  59.228  2.9508  2.534988       4.490984 
1 1 1 0   -8  42 o 21.008  3.1606  75.025    17.267    34.024    28.612    98.509    21.655    15.557  5.5002  26.460  3.1151  -10.90256      6.321126 
1 1 1 0   -8  43 o 48.559  2.3154  329.421   29.308    353.208   47.061    314.350   37.459    49.751  3.5550  47.367  2.9675  2.383923       4.630746 
1 1 1 0   -8  44 o 29.547  2.6908  126.195   19.781    135.821   33.888    121.221   24.363    30.008  4.3423  29.086  3.1789  0.9225636      5.381580 
1 1 1 0   -8  45 o 11.326  3.1682  7.0338    13.441    31.832    25.603    -2.4016   15.793    14.454  5.1930  8.1975  3.6307  6.256516       6.336328 
1 1 1 0   -8  46 f 15.451  3.5675  37.759    15.974    41.027    29.935    36.458    18.888    15.750  5.6198  15.153  4.3961  0.5970163      7.134941 
1 1 1 0   -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -8  48 o 7.8787  2.6483  -13.5218  13.394    -24.7469  27.103    -9.8944   15.407    8.6158  4.1249  7.1417  3.3226  1.474073       5.296662 
1 1 1 0   -8  49 o 14.336  3.6806  27.767    17.009    67.550    33.243    13.659    19.797    18.081  5.9378  10.591  4.3506  7.490066       7.361115 
1 1 1 0   -7  1  o 138.021 2.8513  2552.68   105.407   2556.50   149.255   2548.88   148.882   138.124 4.0343  137.918 4.0302  0.2058105      5.702505 
1 1 1 0   -7  2  o 288.265 5.3802  11152.23  415.382   11302.34  587.551   11002.23  587.327   290.208 7.5587  286.322 7.6584  3.886627       10.76033 
1 1 1 0   -7  3  o 316.192 5.8711  13423.22  497.206   13573.62  703.110   13272.78  703.200   317.968 8.2557  314.415 8.3500  3.552368       11.74215 
1 1 1 0   -7  4  o 59.675  1.6298  477.319   26.028    498.449   36.741    456.031   36.878    61.002  2.2486  58.348  2.3597  2.653885       3.259521 
1 1 1 0   -7  5  o 89.668  2.0341  1077.24   48.849    1093.86   68.981    1060.53   69.184    90.363  2.8501  88.974  2.9030  1.388123       4.068231 
1 1 1 0   -7  6  o 81.391  1.9165  887.447   41.777    899.939   59.084    874.956   59.079    81.964  2.6913  80.818  2.7292  1.145958       3.832967 
1 1 1 0   -7  7  o 49.828  1.5673  332.790   20.900    317.813   29.605    347.669   29.509    48.710  2.2692  50.947  2.1624  -2.237053      3.134509 
1 1 1 0   -7  8  o 183.544 3.5554  4515.54   174.788   4550.89   247.642   4480.46   246.734   184.260 5.0177  182.828 5.0385  1.432053       7.110800 
1 1 1 0   -7  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -7  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -7  11 o 359.802 6.6621  17388.57  641.989   17142.46  908.183   17634.39  907.636   357.249 9.4910  362.354 9.3517  -5.105103      13.32417 
1 1 1 0   -7  12 o 314.440 5.8663  13270.69  494.069   13185.06  698.706   13356.33  698.732   313.423 8.3229  315.457 8.2696  -2.033508      11.73270 
1 1 1 0   -7  13 o 158.835 3.1929  3381.26   135.799   3279.10   191.699   3484.16   192.400   156.425 4.5753  161.245 4.4548  -4.819534      6.385870 
1 1 1 0   -7  14 o 470.539 8.6760  29790.29  1093.34   29257.05  1545.36   30324.71  1547.07   466.304 12.373  474.773 12.166  -8.468842      17.35200 
1 1 1 0   -7  15 o 372.085 6.9061  18595.49  688.249   18396.22  972.633   18795.33  974.030   370.084 9.8120  374.087 9.7210  -4.003052      13.81210 
1 1 1 0   -7  16 f 146.615 3.0480  2880.41   119.678   2810.48   168.633   2951.37   169.874   144.821 4.3473  148.408 4.2735  -3.586990      6.096043 
1 1 1 0   -7  17 o 289.313 5.4586  11232.62  422.988   11125.91  597.577   11339.76  598.817   287.934 7.7484  290.692 7.6908  -2.758362      10.91724 
1 1 1 0   -7  18 o 109.542 2.5024  1608.72   73.376    1664.38   103.376   1552.21   104.168   111.454 3.4629  107.630 3.6134  3.823456       5.004770 
1 1 1 0   -7  19 o 126.846 2.7517  2156.34   93.489    2144.02   131.719   2168.84   132.713   126.481 3.8881  127.211 3.8949  -0.7299118     5.503422 
1 1 1 0   -7  20 o 88.256  2.2317  1044.23   52.735    1070.35   74.253    1017.65   74.910    89.371  3.1019  87.141  3.2094  2.229889       4.463425 
1 1 1 0   -7  21 o 252.323 4.8398  8562.73   327.059   8698.75   462.061   8426.15   463.003   254.341 6.7826  250.305 6.9060  4.035614       9.679664 
1 1 1 0   -7  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -7  23 o 246.910 5.9419  8336.74   368.291   8513.21   451.253   7984.69   637.361   251.316 6.7036  242.504 9.8124  8.812271       11.88372 
1 1 1 0   -7  24 o 170.663 3.4615  3916.13   158.218   3922.59   225.216   3909.84   222.321   170.798 4.9230  170.527 4.8674  0.2700653      6.922950 
1 1 1 0   -7  25 o 29.901  1.9103  119.624   15.048    133.054   22.813    109.280   20.021    31.379  2.7418  28.423  2.6608  2.956116       3.820648 
1 1 1 0   -7  26 o 196.842 3.8710  5219.67   204.033   5400.68   290.574   5043.62   286.561   200.220 5.4183  193.464 5.5300  6.755600       7.742010 
1 1 1 0   -7  27 o 14.221  2.5036  23.564    11.143    53.005    17.050    1.6131    14.723    19.595  3.3701  8.8471  3.7033  10.74802       5.007211 
1 1 1 0   -7  28 f 134.355 2.8849  2424.70   103.776   2513.78   149.110   2341.02   144.520   136.748 4.0710  131.963 4.0887  4.784637       5.769760 
1 1 1 0   -7  29 o 112.187 2.6157  1695.44   78.398    1610.92   113.078   1773.67   108.788   109.472 3.8565  114.903 3.5348  -5.430923      5.231340 
1 1 1 0   -7  30 o 80.141  2.1831  859.028   46.767    927.010   68.726    800.402   63.822    83.082  3.0884  77.200  3.0865  5.881622       4.366266 
1 1 1 0   -7  31 o 118.591 2.7022  1894.18   85.742    1879.20   123.878   1907.96   118.797   118.124 3.9153  119.057 3.7253  -0.9321671     5.404389 
1 1 1 0   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -7  33 o 107.373 2.5128  1550.11   72.107    1698.75   105.392   1419.29   98.870    112.205 3.5068  102.541 3.5998  9.664215       5.025536 
1 1 1 0   -7  34 o 49.933  2.0141  330.927   26.564    398.414   40.735    280.994   35.039    54.301  2.8103  45.565  2.8859  8.735687       4.028177 
1 1 1 0   -7  35 o 118.821 2.8148  1925.69   89.336    1863.14   129.959   1981.73   123.009   116.904 4.1504  120.738 3.8037  -3.833763      5.629691 
1 1 1 0   -7  36 o 36.287  2.1098  177.025   20.063    195.056   31.514    164.736   26.016    37.793  3.1417  34.780  2.8168  3.012848       4.219539 
1 1 1 0   -7  37 o 27.367  2.5378  110.357   16.826    80.745    26.649    129.988   21.698    23.861  4.3291  30.872  2.6497  -7.011103      5.075639 
1 1 1 0   -7  38 o 42.950  2.1955  256.528   24.459    232.615   37.928    273.552   32.002    41.079  3.4798  44.820  2.6780  -3.740917      4.390942 
1 1 1 0   -7  39 o 23.020  2.8175  77.095    15.996    68.555    26.305    82.106    20.149    21.737  4.6581  24.302  3.1710  -2.565336      5.634976 
1 1 1 0   -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -7  41 o 21.309  2.9537  60.220    15.733    92.963    27.168    43.699    19.298    25.373  4.1405  17.246  4.2136  8.127039       5.907475 
1 1 1 0   -7  42 o 6.8028  2.2763  -20.7224  10.115    -3.7538   17.626    -29.0537  12.350    8.6813  3.8408  4.9242  2.4442  3.757148       4.552553 
1 1 1 0   -7  43 o 20.066  3.1786  64.262    16.268    49.355    27.168    72.594    20.311    17.738  5.3063  22.394  3.5010  -4.655613      6.357136 
1 1 1 0   -7  44 o 18.874  3.2821  59.598    16.394    40.991    28.449    68.848    20.059    16.121  5.4964  21.626  3.5886  -5.505566      6.564219 
1 1 1 0   -7  45 o 22.990  3.2841  83.966    18.359    80.552    32.353    85.588    22.296    21.934  5.5132  24.046  3.5701  -2.112148      6.568169 
1 1 1 0   -7  46 o 27.660  3.2972  125.564   21.354    107.284   37.627    134.249   25.936    24.990  5.7420  30.331  3.2427  -5.340839      6.594352 
1 1 1 0   -7  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -7  48 o 15.864  3.5209  47.289    17.950    22.004    34.123    56.963    21.106    13.090  5.5663  18.639  4.3130  -5.549313      7.041721 
1 1 1 0   -6  1  o 151.018 3.0556  3056.78   123.576   3127.56   174.969   2986.33   174.556   152.763 4.2762  149.272 4.3658  3.491013       6.111140 
1 1 1 0   -6  2  o 253.355 4.7766  8612.12   324.132   8690.28   458.374   8533.95   458.409   254.507 6.7241  252.204 6.7860  2.303680       9.553144 
1 1 1 0   -6  3  o 122.305 2.5100  2004.29   82.225    1996.31   116.156   2012.31   116.411   122.061 3.5529  122.549 3.5465  -0.4882660     5.019977 
1 1 1 0   -6  4  o 101.559 2.1696  1382.21   58.997    1423.97   83.370    1340.33   83.499    103.096 3.0191  100.021 3.1167  3.074730       4.339251 
1 1 1 0   -6  5  f 265.246 4.9857  9440.70   354.208   9463.63   500.903   9417.76   500.948   265.568 7.0419  264.923 7.0597  0.6456909      9.971304 
1 1 1 0   -6  6  o 254.125 4.7736  8664.07   324.920   8624.06   459.569   8704.07   459.443   253.538 6.7674  254.713 6.7343  -1.175568      9.547132 
1 1 1 0   -6  7  o 395.677 7.3285  21051.91  776.676   20947.60  1098.72   21156.10  1098.05   394.693 10.393  396.661 10.335  -1.968231      14.65700 
1 1 1 0   -6  8  o 184.431 3.5945  4560.65   177.523   4454.96   251.506   4665.59   250.609   182.298 5.1508  186.563 5.0151  -4.264328      7.189048 
1 1 1 0   -6  9  o 459.872 8.4814  28467.36  1044.57   27948.95  1477.32   28985.65  1477.16   455.664 12.104  464.080 11.884  -8.416687      16.96275 
1 1 1 0   -6  10 o 542.554 14.203  39960.27  2063.87   39294.28  2917.15   40627.73  2920.36   537.970 20.245  547.138 19.927  -9.167725      28.40688 
1 1 1 0   -6  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -6  12 o 737.986 13.580  73831.27  2682.97   71181.32  3791.78   76488.23  3796.80   724.568 19.538  751.404 18.865  -26.83582      27.15900 
1 1 1 0   -6  13 o 111.065 2.4650  1652.67   73.329    1654.38   103.333   1650.94   104.078   111.123 3.4717  111.007 3.5004  0.1158371      4.930075 
1 1 1 0   -6  14 o 562.834 10.362  42706.13  1562.16   42794.51  2208.90   42617.70  2209.56   563.421 14.637  562.247 14.672  1.173950       20.72468 
1 1 1 0   -6  15 o 225.530 4.3464  6819.70   262.547   6750.04   370.820   6889.71   371.778   224.374 6.1702  226.686 6.1231  -2.311386      8.692739 
1 1 1 0   -6  16 o 517.429 9.5489  36061.17  1323.21   35333.17  1870.34   36790.66  1872.26   512.172 13.634  522.685 13.373  -10.51337      19.09773 
1 1 1 0   -6  17 o 244.172 4.6727  7996.58   305.582   8091.62   431.806   7901.21   432.510   245.628 6.5633  242.716 6.6529  2.912033       9.345464 
1 1 1 0   -6  18 o 307.124 5.7790  12666.50  475.243   12274.59  671.273   13060.34  672.919   302.349 8.2890  311.899 8.0549  -9.549896      11.55807 
1 1 1 0   -6  19 o 104.880 2.4421  1474.03   68.599    1482.26   96.597    1465.66   97.435    105.175 3.4289  104.584 3.4783  0.5914307      4.884253 
1 1 1 0   -6  20 o 76.519  3.4024  866.287   61.144    999.016   74.936    601.888   105.763   86.340  3.2403  66.697  5.9839  19.64283       6.804876 
1 1 1 0   -6  21 o 286.552 5.3874  11052.81  413.357   11418.53  586.083   10690.84  583.078   291.288 7.5119  281.815 7.7246  9.473663       10.77483 
1 1 1 0   -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -6  23 o 80.454  2.2118  878.314   47.043    731.657   67.588    1016.13   65.518    73.852  3.4168  87.057  2.8098  -13.20409      4.423701 
1 1 1 0   -6  24 f 97.159  2.3194  1264.86   60.293    1351.81   86.840    1183.94   83.777    100.382 3.2298  93.937  3.3296  6.444275       4.638745 
1 1 1 0   -6  25 o 269.850 5.1652  9849.18   373.303   9756.46   529.669   9940.69   526.210   268.566 7.3632  271.133 7.2458  -2.566315      10.33044 
1 1 1 0   -6  26 f 117.312 2.6332  1848.52   82.693    1839.12   118.764   1857.36   115.209   117.017 3.7892  117.607 3.6573  -0.5904846     5.266316 
1 1 1 0   -6  27 o 255.413 4.9722  8834.71   339.910   8494.43   482.539   9169.87   478.893   250.466 7.1927  260.360 6.8671  -9.893585      9.944499 
1 1 1 0   -6  28 o 84.129  2.3150  956.275   51.830    866.829   75.177    1037.31   71.556    80.342  3.4934  87.917  3.0387  -7.575493      4.630069 
1 1 1 0   -6  29 o 179.687 3.6238  4350.85   174.374   4462.78   249.291   4243.61   243.999   181.951 5.1152  177.423 5.1344  4.528397       7.247590 
1 1 1 0   -6  30 o 69.835  2.1535  659.236   39.992    608.008   58.708    703.588   54.626    67.273  3.2581  72.397  2.8170  -5.123512      4.307070 
1 1 1 0   -6  31 o 106.292 2.5958  1528.37   73.524    1406.04   106.486   1639.81   101.641   102.174 3.8910  110.410 3.4369  -8.235786      5.191545 
1 1 1 0   -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -6  33 o 71.494  2.1747  687.635   41.488    699.369   61.612    677.900   56.118    72.034  3.1933  70.953  2.9528  1.081604       4.349301 
1 1 1 0   -6  34 o 67.785  2.2009  623.877   39.569    595.204   58.994    647.326   53.350    66.282  3.3336  69.288  2.8747  -3.006287      4.401853 
1 1 1 0   -6  35 o 78.587  2.2873  842.211   47.693    785.403   71.020    888.872   64.366    76.086  3.4849  81.087  2.9636  -5.001274      4.574613 
1 1 1 0   -6  36 o 66.295  2.1464  592.258   37.888    628.549   57.387    564.217   50.444    68.054  3.1483  64.537  2.9182  3.516548       4.292727 
1 1 1 0   -6  37 o 54.511  2.2095  411.977   31.429    364.575   48.007    447.534   41.578    51.554  3.4972  57.468  2.7011  -5.913818      4.418921 
1 1 1 0   -6  38 o 23.115  2.6126  74.694    15.280    76.801    24.455    73.344    19.571    23.277  4.0706  22.954  3.2761  0.3227100      5.225224 
1 1 1 0   -6  39 o 9.8186  2.6248  5.7230    11.163    -17.9034  18.280    19.774    14.097    7.5852  3.5582  12.052  3.8598  -4.466753      5.249689 
1 1 1 0   -6  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -6  41 o 47.134  2.2833  308.479   28.042    313.005   44.511    305.501   36.109    47.240  3.5436  47.028  2.8805  0.2119026      4.566683 
1 1 1 0   -6  42 o 13.927  3.3051  27.826    14.367    21.984    24.660    30.827    17.677    13.390  5.0466  14.463  4.2692  -1.072500      6.610179 
1 1 1 0   -6  43 o 14.415  3.0217  33.183    14.750    -2.6128   26.823    48.698    17.659    10.689  4.7331  18.141  3.7578  -7.452182      6.043431 
1 1 1 0   -6  44 o 15.542  3.2400  27.249    14.553    67.908    27.259    11.041    17.211    20.640  4.9866  10.445  4.1382  10.19445       6.480040 
1 1 1 0   -6  45 f 11.640  3.2614  15.740    14.165    10.968    27.481    17.466    16.530    11.894  5.0233  11.387  4.1608  0.5065889      6.522721 
1 1 1 0   -6  46 o 16.810  3.6914  44.153    17.044    56.281    32.026    39.361    20.131    17.946  5.8250  15.674  4.5359  2.271685       7.382746 
1 1 1 0   -6  47 o 10.852  3.1470  10.284    15.778    -19.7504  29.722    22.070    18.619    9.4894  4.4779  12.215  4.4230  -2.725649      6.294025 
1 1 1 0   -6  48 o 9.3064  2.9754  -0.8469   14.898    -20.1663  30.628    5.1409    17.051    9.4217  4.4754  9.1912  3.9222  0.2304878      5.950886 
1 1 1 0   -5  1  o 336.096 6.2508  15178.58  562.686   15349.64  795.983   15007.72  795.534   337.995 8.7923  334.198 8.8872  3.797485       12.50152 
1 1 1 0   -5  2  o 131.694 2.6856  2324.14   94.730    2298.65   133.829   2349.74   134.108   130.970 3.8150  132.418 3.7811  -1.448349      5.371279 
1 1 1 0   -5  3  o 176.258 3.3959  4164.83   160.313   4116.15   226.591   4213.61   226.842   175.226 4.8279  177.290 4.7769  -2.064194      6.791708 
1 1 1 0   -5  4  o 154.602 3.0494  3204.01   126.251   3278.43   178.541   3129.58   178.549   156.400 4.2620  152.805 4.3625  3.594620       6.098830 
1 1 1 0   -5  5  o 86.745  2.0181  1009.42   46.797    936.456   66.191    1082.35   66.172    83.605  2.9558  89.884  2.7485  -6.278999      4.036223 
1 1 1 0   -5  6  o 120.150 2.5227  1934.29   81.184    1944.92   115.205   1923.81   114.422   120.478 3.5701  119.822 3.5652  0.6555099      5.045390 
1 1 1 0   -5  7  o 284.840 5.3311  10890.36  406.727   10887.67  575.688   10893.04  574.710   284.805 7.5466  284.876 7.5319  -0.7153320E-01 10.66210 
1 1 1 0   -5  8  o 195.786 3.7942  5139.25   198.969   5184.02   281.764   5094.71   281.006   196.637 5.3497  194.935 5.3819  1.702484       7.588441 
1 1 1 0   -5  9  o 118.560 2.5499  1883.73   80.945    1822.08   114.315   1945.72   114.631   116.613 3.6599  120.507 3.5514  -3.893227      5.099751 
1 1 1 0   -5  10 o 320.753 5.9778  13812.68  513.568   13841.91  725.958   13783.40  726.632   321.094 8.4409  320.412 8.4667  0.6817322      11.95554 
1 1 1 0   -5  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -5  12 o 52.350  1.7464  367.133   24.465    346.576   34.391    388.193   34.811    50.866  2.5243  53.834  2.4142  -2.967892      3.492895 
1 1 1 0   -5  13 o 235.083 4.5033  7410.96   283.536   7302.45   400.586   7519.89   401.376   233.357 6.4089  236.809 6.3280  -3.452682      9.006526 
1 1 1 0   -5  14 o 292.851 5.5075  11509.43  431.843   11134.33  610.098   11886.06  611.341   288.060 7.9073  297.642 7.6683  -9.582367      11.01492 
1 1 1 0   -5  15 f 266.122 5.0426  9500.62   359.332   9221.24   507.552   9781.37   508.794   262.194 7.2272  270.051 7.0341  -7.857117      10.08517 
1 1 1 0   -5  16 o 64.081  1.9470  550.020   33.382    515.813   46.811    585.415   47.617    62.053  2.8164  66.108  2.6892  -4.054859      3.894081 
1 1 1 0   -5  17 o 96.858  2.3477  1256.78   60.904    1247.50   85.701    1266.24   86.569    96.497  3.3158  97.219  3.3245  -0.7219391     4.695362 
1 1 1 0   -5  18 o 393.239 8.9029  20722.21  885.838   20499.90  1084.57   21167.69  1535.33   390.460 10.370  396.019 14.474  -5.558746      17.80586 
1 1 1 0   -5  19 o 128.140 2.7293  2200.16   93.581    2337.66   133.554   2067.54   131.166   132.074 3.7753  124.206 3.9427  7.868515       5.458693 
1 1 1 0   -5  20 o 204.086 3.9442  5592.11   215.243   6007.10   306.025   5185.82   302.799   211.596 5.3996  196.576 5.7509  15.01988       7.888494 
1 1 1 0   -5  21 o 49.720  2.1279  358.247   25.351    405.065   31.173    266.803   43.566    54.986  2.1166  44.455  3.6922  10.53047       4.255843 
1 1 1 0   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -5  23 o 119.485 2.6242  1914.66   83.961    1972.72   120.343   1859.58   117.197   121.249 3.7055  117.720 3.7169  3.529053       5.248444 
1 1 1 0   -5  24 o 86.001  2.1734  990.303   50.004    1060.61   72.298    925.831   69.233    88.924  3.0354  83.078  3.1113  5.845161       4.346703 
1 1 1 0   -5  25 o 190.756 3.7722  4898.10   192.722   4970.89   274.512   4827.36   270.628   192.153 5.3337  189.358 5.3358  2.794861       7.544445 
1 1 1 0   -5  26 o 213.813 4.1884  6164.96   239.851   6237.70   341.342   6094.03   337.099   215.058 5.9258  212.568 5.9207  2.489731       8.376707 
1 1 1 0   -5  27 o 38.898  2.0047  201.352   20.426    255.341   30.718    158.556   27.349    43.552  2.6458  34.244  3.0124  9.308838       4.009321 
1 1 1 0   -5  28 o 192.509 3.8243  4994.29   197.148   5142.44   281.459   4851.58   276.235   195.318 5.3800  189.701 5.4365  5.617126       7.648552 
1 1 1 0   -5  29 f 39.395  2.0478  205.833   21.268    239.936   32.753    180.970   27.966    42.181  2.9168  36.609  2.8751  5.572273       4.095637 
1 1 1 0   -5  30 o 39.978  2.1068  211.880   21.393    309.745   32.736    138.925   28.264    47.977  2.5566  31.980  3.3493  15.99616       4.213561 
1 1 1 0   -5  31 o 69.610  2.1402  651.531   39.714    648.392   59.038    654.125   53.673    69.445  3.1740  69.776  2.8719  -0.3310394     4.280388 
1 1 1 0   -5  32 o 50.244  2.1624  339.149   28.687    353.290   44.069    328.751   37.790    51.126  3.2348  49.361  2.8707  1.765587       4.324890 
1 1 1 0   -5  33 o 84.711  2.3345  971.260   52.679    931.025   77.727    1005.44   71.644    83.046  3.4943  86.375  3.0967  -3.328873      4.669041 
1 1 1 0   -5  34 o 117.156 2.7685  1866.76   86.598    1797.82   126.153   1928.19   119.089   115.035 4.0943  119.278 3.7275  -4.243225      5.536958 
1 1 1 0   -5  35 o 48.964  2.1423  329.679   27.386    302.216   42.130    349.776   36.039    47.091  3.3622  50.837  2.6559  -3.745579      4.284645 
1 1 1 0   -5  36 o 67.722  2.2012  622.948   39.612    619.124   59.790    625.939   52.883    67.479  3.3081  67.966  2.9049  -0.4875336     4.402486 
1 1 1 0   -5  37 f 81.596  2.3302  904.413   50.667    939.398   76.158    876.633   67.864    82.948  3.4278  80.245  3.1574  2.702576       4.660403 
1 1 1 0   -5  38 o 46.707  2.1549  293.732   26.432    327.100   41.773    271.451   34.135    48.836  3.2114  44.578  2.8742  4.258652       4.309736 
1 1 1 0   -5  39 o 12.559  2.8872  10.623    12.172    43.160    21.580    -4.5583   14.741    17.230  4.5926  7.8885  3.5001  9.341906       5.774312 
1 1 1 0   -5  40 o 39.698  2.3258  217.160   23.796    226.046   38.825    211.813   30.116    40.187  3.6466  39.210  2.8879  0.9773903      4.651626 
1 1 1 0   -5  41 o 38.499  2.3225  196.688   23.074    259.593   38.342    160.975   28.890    43.074  3.3497  33.925  3.2179  9.149403       4.644933 
1 1 1 0   -5  42 o 8.6337  2.7095  -3.0832   12.029    -10.1705  21.178    0.2923    14.615    8.8827  4.0449  8.3847  3.6060  0.4980268      5.418944 
1 1 1 0   -5  43 o 27.137  3.1399  118.995   19.906    86.824    33.858    135.991   24.609    23.267  5.5167  31.008  3.0005  -7.740967      6.279896 
1 1 1 0   -5  44 o 9.0364  2.8523  -11.3454  12.781    12.872    24.455    -20.4474  14.992    11.802  4.8402  6.2712  3.0192  5.530438       5.704649 
1 1 1 0   -5  45 o 26.955  3.2091  116.965   20.435    101.084   35.669    124.724   24.933    24.594  5.5468  29.316  3.2288  -4.721992      6.418141 
1 1 1 0   -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -5  47 o 15.625  3.5555  32.127    15.942    69.092    30.909    18.730    18.608    19.645  5.6009  11.604  4.3813  8.041046       7.110967 
1 1 1 0   -5  48 o 12.186  3.4679  20.208    15.955    26.013    30.530    18.026    18.714    13.102  5.3949  11.270  4.3589  1.832088       6.935815 
1 1 1 0   -4  1  o 317.061 5.9149  13505.50  502.309   13588.38  710.463   13422.67  710.281   318.037 8.3402  316.086 8.3895  1.950958       11.82970 
1 1 1 0   -4  2  o 699.528 12.883  66546.85  2411.91   63429.98  3408.61   69672.30  3413.30   682.878 18.636  716.179 17.794  -33.30151      25.76625 
1 1 1 0   -4  3  o 276.689 5.1766  10278.07  383.612   10423.63  542.532   10132.52  542.487   278.653 7.2690  274.725 7.3723  3.928040       10.35318 
1 1 1 0   -4  4  o 359.680 6.6677  17394.66  642.354   17515.03  908.572   17274.37  908.280   360.929 9.3983  358.431 9.4607  2.497589       13.33541 
1 1 1 0   -4  5  o 149.277 2.9837  2986.59   119.293   3032.98   169.144   2940.68   168.272   150.431 4.1979  148.123 4.2413  2.307877       5.967489 
1 1 1 0   -4  6  o 331.836 6.1790  14795.44  549.201   14768.88  776.993   14821.94  776.382   331.537 8.7498  332.135 8.7271  -0.5978394     12.35805 
1 1 1 0   -4  7  o 109.518 2.4047  1607.25   70.531    1574.64   99.734    1639.88   99.757    108.406 3.4348  110.631 3.3665  -2.224129      4.809498 
1 1 1 0   -4  8  o 184.184 3.6066  4548.38   177.880   4420.78   251.152   4676.81   251.971   181.590 5.1636  186.779 5.0366  -5.189285      7.213192 
1 1 1 0   -4  9  o 225.068 4.3192  6793.69   260.362   6695.01   367.920   6892.67   368.495   223.429 6.1479  226.707 6.0684  -3.278198      8.638418 
1 1 1 0   -4  10 o 220.285 4.2456  6507.15   250.492   6425.01   353.982   6589.55   354.518   218.891 6.0376  221.679 5.9707  -2.788147      8.491286 
1 1 1 0   -4  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -4  12 o 217.926 4.2239  6368.07   246.540   6445.83   348.455   6290.12   348.866   219.260 5.9333  216.592 6.0135  2.667755       8.447883 
1 1 1 0   -4  13 o 373.282 6.9283  18719.35  692.625   18373.07  978.927   19066.46  980.115   369.815 9.8827  376.749 9.7126  -6.933655      13.85651 
1 1 1 0   -4  14 o 550.908 10.152  40905.02  1497.97   41060.09  2118.22   40749.89  2118.68   551.959 14.328  549.856 14.386  2.103027       20.30335 
1 1 1 0   -4  15 o 268.573 5.0942  9675.31   366.450   9592.12   517.800   9758.77   518.679   267.415 7.2291  269.731 7.1792  -2.315918      10.18833 
1 1 1 0   -4  16 o 606.797 11.138  49772.57  1804.57   54392.55  2556.61   45185.45  2547.50   635.114 15.029  578.481 16.441  56.63251       22.27514 
1 1 1 0   -4  17 o 52.986  1.8788  375.542   26.450    434.641   38.517    322.800   36.386    56.963  2.5245  49.010  2.7833  7.953007       3.757663 
1 1 1 0   -4  18 o 133.067 2.8318  2373.13   100.741   2569.19   143.807   2184.20   141.168   138.467 3.8774  127.667 4.1283  10.80001       5.663660 
1 1 1 0   -4  19 o 380.436 7.0649  19473.32  719.909   19498.87  1019.38   19447.90  1016.84   380.684 9.9973  380.188 9.9854  0.4957581      14.12988 
1 1 1 0   -4  20 o 67.018  2.0662  612.107   36.347    491.690   52.275    724.806   50.572    60.485  3.2384  73.551  2.5670  -13.06579      4.132457 
1 1 1 0   -4  21 o 28.883  2.0769  115.386   14.101    185.790   21.089    58.462    18.963    37.178  2.1266  20.587  3.5682  16.59082       4.153809 
1 1 1 0   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -4  23 o 70.586  1.9986  666.059   37.668    744.577   54.783    595.648   51.878    74.522  2.7445  66.650  2.9060  7.872719       3.997141 
1 1 1 0   -4  24 o 11.802  2.4610  19.043    8.3489    16.411    12.383    21.236    11.305    11.228  3.6198  12.375  3.3352  -1.146548      4.922009 
1 1 1 0   -4  25 o 36.370  1.8922  179.366   18.158    168.492   26.890    188.481   24.619    35.327  2.8666  37.412  2.4707  -2.085217      3.784415 
1 1 1 0   -4  26 o 113.761 2.6028  1739.45   79.213    1700.66   114.074   1775.58   110.082   112.526 3.7848  114.996 3.5739  -2.469833      5.205536 
1 1 1 0   -4  27 o 109.732 2.5172  1613.56   73.444    1895.61   106.778   1360.31   101.180   118.830 3.3548  100.633 3.7538  18.19717       5.034419 
1 1 1 0   -4  28 o 62.746  2.1391  536.824   35.334    461.304   51.992    601.637   48.166    58.522  3.3307  66.970  2.6852  -8.448265      4.278252 
1 1 1 0   -4  29 o 61.221  2.0671  505.414   33.629    486.241   49.800    521.488   45.596    60.101  3.1042  62.341  2.7306  -2.240257      4.134279 
1 1 1 0   -4  30 o 88.589  2.2791  1048.03   53.604    1259.84   79.003    867.329   72.972    96.848  3.0455  80.329  3.3915  16.51902       4.558254 
1 1 1 0   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -4  32 f 42.088  2.1227  238.085   23.570    250.497   36.115    228.877   31.109    43.021  3.1562  41.155  2.8394  1.865757       4.245422 
1 1 1 0   -4  33 o 68.233  2.1567  627.451   39.178    628.417   58.737    626.677   52.585    68.256  3.2128  68.210  2.8782  0.4663849E-01  4.313483 
1 1 1 0   -4  34 o 27.938  2.3057  107.808   16.497    102.653   25.961    111.299   21.364    27.288  3.6429  28.587  2.8272  -1.299059      4.611302 
1 1 1 0   -4  35 o 18.368  2.7902  49.384    13.055    39.717    20.960    55.511    16.687    16.742  4.5536  19.993  3.2258  -3.251307      5.580395 
1 1 1 0   -4  36 o 15.368  2.9667  33.861    12.378    30.140    20.299    36.064    15.618    14.797  4.6183  15.940  3.7251  -1.142421      5.933447 
1 1 1 0   -4  37 o 51.968  2.1809  369.165   29.746    366.377   46.187    371.142   38.885    51.709  3.3528  52.226  2.7898  -0.5174065     4.361701 
1 1 1 0   -4  38 o 79.965  2.4148  879.910   51.167    849.924   77.462    903.120   68.151    78.605  3.6792  81.325  3.1287  -2.720520      4.829597 
1 1 1 0   -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -4  40 o 47.428  2.3423  316.127   28.590    296.194   45.750    328.898   36.621    45.944  3.7504  48.912  2.8071  -2.968143      4.684578 
1 1 1 0   -4  41 o 13.832  3.0875  28.214    14.345    1.4730    25.387    40.757    17.387    11.002  4.7422  16.662  3.9551  -5.659306      6.175088 
1 1 1 0   -4  42 o 18.645  3.2109  56.298    15.589    39.213    27.543    64.351    18.909    16.167  5.4087  21.123  3.4620  -4.956728      6.421820 
1 1 1 0   -4  43 o 12.870  3.2501  23.361    14.200    11.538    25.928    28.427    16.972    11.960  4.9525  13.779  4.2102  -1.818932      6.500267 
1 1 1 0   -4  44 o 18.556  3.3525  58.841    16.734    38.730    30.016    67.912    20.158    15.719  5.6253  21.393  3.6488  -5.673952      6.705084 
1 1 1 0   -4  45 o 21.592  3.4875  68.937    18.452    95.297    34.141    58.061    21.931    23.927  5.4490  19.256  4.3542  4.671421       6.975018 
1 1 1 0   -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -4  47 o 9.4710  3.0581  -5.7014   14.339    7.7321    29.973    -9.6885   16.329    11.516  5.0550  7.4258  3.4431  4.090345       6.116191 
1 1 1 0   -4  48 o 12.663  3.3941  26.740    16.132    9.0350    32.327    32.611    18.616    11.502  5.1380  13.825  4.4363  -2.323311      6.788242 
1 1 1 0   -3  1  o 306.725 5.7137  12638.82  469.352   12885.85  663.899   12391.98  663.628   309.731 8.0026  303.720 8.1576  6.010986       11.42749 
1 1 1 0   -3  2  o 214.106 4.0770  6149.12   233.784   6245.74   330.628   6052.50   330.613   215.791 5.7203  212.421 5.8108  3.369720       8.153927 
1 1 1 0   -3  3  o 294.268 5.5101  11630.83  434.229   11380.46  613.939   11881.44  614.246   291.091 7.8742  297.446 7.7098  -6.355652      11.02021 
1 1 1 0   -3  4  o 148.205 2.9820  2944.49   118.352   2883.39   167.621   3005.23   167.129   146.670 4.2668  149.740 4.1670  -3.069626      5.964009 
1 1 1 0   -3  5  f 89.116  2.0969  1064.16   50.043    1042.89   70.874    1085.31   70.669    88.227  2.9991  90.004  2.9314  -1.777504      4.193798 
1 1 1 0   -3  6  o 525.372 9.7046  37271.69  1365.64   37324.55  1931.11   37218.80  1931.49   525.748 13.713  524.996 13.736  0.7523804      19.40930 
1 1 1 0   -3  7  o 233.033 4.4484  7285.06   277.642   7190.18   392.433   7380.14   392.856   231.511 6.3286  234.554 6.2532  -3.042969      8.896791 
1 1 1 0   -3  8  o 97.648  2.2641  1277.54   59.217    1282.07   83.585    1272.98   83.907    97.822  3.1901  97.474  3.2138  0.3477783      4.528258 
1 1 1 0   -3  9  o 117.576 2.5627  1852.35   80.706    1860.78   113.977   1843.87   114.294   117.845 3.6109  117.308 3.6376  0.5370560      5.125487 
1 1 1 0   -3  10 o 231.858 4.4394  7209.69   275.699   7242.81   389.716   7176.51   390.080   232.392 6.2609  231.324 6.2957  1.067780       8.878897 
1 1 1 0   -3  11 o 346.640 9.1457  16187.67  848.640   15508.99  1198.22   16870.75  1202.10   339.310 13.184  353.971 12.679  -14.66043      18.29149 
1 1 1 0   -3  12 o 438.190 11.605  26005.07  1356.53   23271.93  1915.53   28754.80  1921.33   414.839 17.239  461.542 15.542  -46.70334      23.21085 
1 1 1 0   -3  13 o 353.995 6.5935  16829.24  625.131   17090.78  885.018   16568.82  883.124   356.747 9.2620  351.244 9.3869  5.502747       13.18706 
1 1 1 0   -3  14 o 336.855 6.2418  15251.63  561.922   16472.34  796.474   14041.86  792.895   350.323 8.4882  323.388 9.1538  26.93399       12.48365 
1 1 1 0   -3  15 o 59.761  1.8311  478.852   29.275    466.179   42.077    490.742   40.757    58.993  2.6629  60.528  2.5140  -1.534946      3.662124 
1 1 1 0   -3  16 o 537.668 9.8938  38950.10  1424.64   38194.84  2015.15   39704.75  2014.33   532.425 14.131  542.911 13.852  -10.48572      19.78766 
1 1 1 0   -3  17 o 396.336 7.2581  21121.45  769.721   22274.06  1090.51   19977.11  1086.60   407.153 9.9996  385.520 10.523  21.63223       14.51630 
1 1 1 0   -3  18 o 351.192 6.4930  16575.58  610.401   17285.81  864.986   15871.07  861.499   358.710 9.0028  343.674 9.3588  15.03528       12.98601 
1 1 1 0   -3  19 o 397.343 7.3625  21259.64  783.266   21993.10  1109.60   20531.17  1105.82   404.208 10.249  390.478 10.573  13.72925       14.72502 
1 1 1 0   -3  20 o 173.963 3.5606  4072.24   165.277   3685.06   234.736   4452.89   232.750   165.722 5.2882  182.203 4.7692  -16.48100      7.121128 
1 1 1 0   -3  21 o 299.987 5.6780  12125.57  456.220   12085.01  646.703   12165.74  643.692   299.480 8.0621  300.493 7.9975  -1.013214      11.35595 
1 1 1 0   -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -3  23 o 134.875 2.8775  2440.73   103.883   2568.50   148.813   2319.29   145.085   138.320 4.0167  131.430 4.1213  6.889847       5.754916 
1 1 1 0   -3  24 o 188.828 3.8209  4803.35   193.067   4609.02   274.786   4992.81   271.323   185.028 5.5446  192.628 5.2587  -7.600159      7.641748 
1 1 1 0   -3  25 o 94.879  2.3483  1210.30   59.552    1165.45   86.046    1251.53   82.505    93.182  3.4476  96.577  3.1895  -3.395271      4.696630 
1 1 1 0   -3  26 o 230.864 4.4701  7194.39   276.346   7421.64   393.476   6973.19   388.202   234.477 6.2651  227.250 6.3777  7.226868       8.940165 
1 1 1 0   -3  27 o 110.772 2.6059  1649.88   77.196    1610.46   111.557   1686.10   106.933   109.491 3.8039  112.054 3.5628  -2.562813      5.211859 
1 1 1 0   -3  28 o 262.555 5.0870  9344.53   357.676   9229.24   508.624   9457.33   503.081   260.916 7.2779  264.194 7.1093  -3.277893      10.17398 
1 1 1 0   -3  29 o 59.517  2.1473  483.887   33.585    412.896   49.518    544.362   45.704    55.340  3.3566  63.693  2.6790  -8.353031      4.294571 
1 1 1 0   -3  30 o 32.574  2.1449  140.805   18.299    169.223   28.305    120.398   23.985    35.365  3.0170  29.782  3.0498  5.582588       4.289895 
1 1 1 0   -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -3  32 o 72.686  2.1876  705.851   42.415    777.344   63.539    648.383   56.967    75.976  3.1223  69.395  3.0648  6.580803       4.375124 
1 1 1 0   -3  33 o 11.787  2.7612  17.507    11.081    1.4769    18.327    26.744    13.912    9.7519  4.1096  13.822  3.6890  -4.070011      5.522456 
1 1 1 0   -3  34 o 41.748  2.0790  229.958   22.769    284.743   35.822    192.822   29.493    45.825  2.9339  37.672  2.9463  8.153301       4.157948 
1 1 1 0   -3  35 o 19.045  2.7622  49.603    13.317    59.085    21.785    43.946    16.826    20.440  4.1214  17.650  3.6786  2.790388       5.524340 
1 1 1 0   -3  36 o 13.806  2.5547  28.336    11.994    -8.2547   20.309    47.933    14.862    9.0683  4.0602  18.544  3.1017  -9.476016      5.109379 
1 1 1 0   -3  37 f 38.232  2.4039  211.575   22.882    159.380   35.792    247.649   29.756    33.797  4.0335  42.668  2.6163  -8.870220      4.807763 
1 1 1 0   -3  38 o 32.310  2.3410  141.790   19.462    155.848   31.839    133.406   24.590    33.482  3.6072  31.138  2.9850  2.344755       4.682098 
1 1 1 0   -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -3  40 o 8.3220  2.6470  -5.5875   11.449    -7.7700   20.834    -4.6433   13.703    9.1191  4.0956  7.5248  3.3545  1.594247       5.294015 
1 1 1 0   -3  41 o 48.263  2.3491  318.251   29.467    365.400   48.275    290.253   37.201    50.887  3.5644  45.639  3.0609  5.247543       4.698265 
1 1 1 0   -3  42 o 31.126  2.6215  137.482   20.609    148.458   34.562    131.426   25.672    31.803  4.1567  30.448  3.1954  1.355080       5.242961 
1 1 1 0   -3  43 o 15.552  3.4646  35.952    15.224    42.090    27.526    33.248    18.273    16.342  5.4049  14.762  4.3358  1.579207       6.929132 
1 1 1 0   -3  44 o 22.461  3.4074  87.425    19.035    58.281    33.290    101.581   23.202    18.507  5.9319  26.415  3.3550  -7.908539      6.814893 
1 1 1 0   -3  45 o 12.552  3.2715  10.526    13.949    46.746    27.633    -1.8582   16.158    16.767  5.4076  8.3373  3.6835  8.429444       6.542955 
1 1 1 0   -3  46 o 12.791  3.1851  23.351    16.706    -26.9936  32.986    40.718    19.374    9.6697  4.6078  15.913  4.3986  -6.242961      6.370195 
1 1 1 0   -3  47 o 10.814  3.1417  10.910    15.963    -27.0551  32.248    23.233    18.372    9.3591  4.4857  12.269  4.3999  -2.909838      6.283385 
1 1 1 0   -2  1  o 448.148 8.4095  27256.91  998.126   32030.64  1415.13   22530.96  1408.03   487.711 10.833  408.585 12.866  79.12582       16.81910 
1 1 1 0   -2  2  o 100.175 2.2260  1344.71   59.715    1314.68   84.436    1374.75   84.463    99.055  3.1825  101.294 3.1131  -2.238983      4.451921 
1 1 1 0   -2  3  o 228.894 4.3574  7029.39   267.126   6937.39   377.883   7121.29   377.663   227.394 6.2043  230.394 6.1199  -2.999741      8.714705 
1 1 1 0   -2  4  o 157.084 3.1635  3308.20   133.061   3209.16   187.946   3407.74   188.408   154.724 4.5351  159.444 4.4117  -4.719299      6.326909 
1 1 1 0   -2  5  o 143.804 2.9529  2771.89   113.726   2717.44   160.696   2826.51   160.969   142.388 4.2135  145.220 4.1384  -2.831528      5.905877 
1 1 1 0   -2  6  o 295.872 5.5611  11759.22  440.503   11332.98  622.520   12186.70  623.413   290.486 8.0009  301.258 7.7259  -10.77151      11.12221 
1 1 1 0   -2  7  o 262.721 4.9687  9263.23   349.644   9220.47   494.314   9306.05   494.628   262.113 7.0409  263.329 7.0128  -1.215820      9.937453 
1 1 1 0   -2  8  o 104.727 2.3850  1469.53   66.902    1470.59   94.446    1468.46   94.782    104.765 3.3657  104.689 3.3801  0.7585144E-01  4.770060 
1 1 1 0   -2  9  o 205.146 3.9646  5644.23   217.785   5501.29   308.450   5786.32   307.540   202.552 5.6854  207.740 5.5270  -5.188141      7.929156 
1 1 1 0   -2  10 o 274.782 5.1571  10134.13  379.316   10579.03  537.460   9692.62   535.412   280.803 7.1459  268.762 7.4376  12.04160       10.31413 
1 1 1 0   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -2  12 o 459.447 8.5082  28403.15  1047.03   28338.13  1481.49   28468.03  1479.97   458.918 12.052  459.976 12.012  -1.057770      17.01636 
1 1 1 0   -2  13 o 144.149 3.0157  2788.69   116.219   2606.54   164.975   2968.14   163.750   139.466 4.4163  148.833 4.1077  -9.366150      6.031302 
1 1 1 0   -2  14 o 500.362 9.2644  33711.29  1241.25   32764.14  1755.57   34658.06  1755.23   493.297 13.287  507.428 12.914  -14.13202      18.52882 
1 1 1 0   -2  15 o 49.485  1.8016  331.771   23.554    282.071   33.815    378.611   32.828    45.804  2.7693  53.166  2.3053  -7.361546      3.603193 
1 1 1 0   -2  16 f 551.293 10.117  40957.44  1493.95   40892.09  2113.81   41022.66  2111.72   550.849 14.327  551.737 14.289  -0.8876953     20.23464 
1 1 1 0   -2  17 f 181.971 3.5721  4442.10   173.699   4830.15   247.160   4063.42   244.162   189.836 4.8608  174.107 5.2357  15.72874       7.144232 
1 1 1 0   -2  18 o 522.159 9.5916  36783.44  1341.48   36941.73  1898.63   36625.66  1895.64   523.286 13.546  521.032 13.583  2.253784       19.18330 
1 1 1 0   -2  19 o 579.628 10.653  45539.00  1653.59   46576.43  2340.81   44505.61  2336.25   586.291 14.906  572.966 15.223  13.32483       21.30575 
1 1 1 0   -2  20 o 214.362 4.1648  6169.38   239.121   6218.88   339.809   6120.82   336.552   215.213 5.8949  213.510 5.8850  1.702515       8.329629 
1 1 1 0   -2  21 o 179.538 3.6284  4333.20   174.285   4130.82   247.951   4530.83   245.027   175.376 5.2784  183.700 4.9798  -8.323715      7.256774 
1 1 1 0   -2  22 o 180.807 5.1199  4409.39   247.850   4352.22   354.136   4464.27   346.998   179.638 7.3601  181.977 7.1191  -2.338928      10.23973 
1 1 1 0   -2  23 o 97.409  2.3527  1272.30   61.346    1290.14   88.551    1255.84   85.066    98.063  3.3713  96.755  3.2824  1.307671       4.705309 
1 1 1 0   -2  24 o 83.960  2.2384  950.726   50.071    871.502   72.503    1022.97   69.234    80.589  3.3588  87.331  2.9598  -6.742004      4.476846 
1 1 1 0   -2  25 o 33.843  2.1028  154.587   17.267    244.601   26.231    85.763    22.937    42.653  2.3046  25.033  3.5179  17.61985       4.205585 
1 1 1 0   -2  26 o 90.288  2.3085  1093.18   55.763    1112.43   81.115    1075.94   76.786    91.037  3.3265  89.539  3.2017  1.498375       4.617018 
1 1 1 0   -2  27 o 152.606 3.1668  3129.13   129.330   3321.46   185.898   2948.72   180.042   157.154 4.4163  148.057 4.5400  9.097855       6.333675 
1 1 1 0   -2  28 o 135.003 2.9698  2451.71   107.305   2437.30   154.570   2465.11   149.083   134.608 4.2871  135.397 4.1108  -0.7897186     5.939566 
1 1 1 0   -2  29 o 75.650  2.2308  774.348   44.843    707.208   65.810    832.543   61.269    72.549  3.3866  78.750  2.9047  -6.200699      4.461674 
1 1 1 0   -2  30 o 74.277  2.2284  746.707   43.975    690.476   64.903    794.430   59.792    71.654  3.3817  76.901  2.9028  -5.247017      4.456757 
1 1 1 0   -2  31 o 97.432  3.3751  1278.17   87.608    1430.21   129.723   1150.67   118.791   102.802 4.7112  92.062  4.8343  10.73956       6.750253 
1 1 1 0   -2  32 o 73.588  2.2983  740.515   44.557    654.052   66.281    811.807   60.186    69.520  3.5716  77.656  2.8936  -8.135597      4.596599 
1 1 1 0   -2  33 o 87.282  2.4068  1033.86   55.918    989.218   82.756    1071.36   75.854    85.489  3.6141  89.074  3.1794  -3.585030      4.813532 
1 1 1 0   -2  34 o 59.804  2.1683  488.568   34.190    455.617   51.656    514.259   45.611    57.890  3.3457  61.717  2.7591  -3.827663      4.336626 
1 1 1 0   -2  35 o 43.512  2.1367  256.992   24.355    262.527   38.122    253.175   31.658    43.848  3.2694  43.177  2.7517  0.6704292      4.273318 
1 1 1 0   -2  36 o 45.229  2.1347  275.749   25.360    298.775   39.870    260.103   32.866    46.751  3.2033  43.708  2.8224  3.042587       4.269312 
1 1 1 0   -2  37 o 34.011  2.6037  173.703   21.099    114.471   33.215    213.773   27.319    28.395  4.5186  39.627  2.5881  -11.23220      5.207304 
1 1 1 0   -2  38 o 16.950  3.0722  43.103    13.841    33.263    23.424    48.382    17.157    15.451  4.9783  18.449  3.6012  -2.998332      6.144312 
1 1 1 0   -2  39 o 13.730  3.2314  25.583    13.364    24.270    23.684    26.196    16.187    13.871  4.9935  13.589  4.1028  0.2821674      6.462797 
1 1 1 0   -2  40 o 16.511  3.3741  40.586    15.261    37.027    26.913    42.272    18.527    16.052  5.3461  16.970  4.1178  -0.9180603     6.748112 
1 1 1 0   -2  41 o 70.309  2.4294  688.897   45.030    732.797   70.539    658.702   58.501    71.909  3.6746  68.708  3.1788  3.200333       4.858745 
1 1 1 0   -2  42 o 31.964  2.7707  148.163   21.916    151.940   37.606    146.221   26.969    31.835  4.5387  32.093  3.1792  -0.2583122     5.541398 
1 1 1 0   -2  43 o 22.611  3.1998  70.320    17.705    108.452   32.352    54.016    21.154    26.470  4.7370  18.752  4.3030  7.718245       6.399612 
1 1 1 0   -2  44 o 31.213  2.9030  133.981   22.425    191.052   40.530    108.801   26.921    35.407  4.3661  27.018  3.8271  8.389538       5.806015 
1 1 1 0   -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -2  46 o 8.4213  2.8380  -15.3553  14.435    -16.6588  30.552    -14.9807  16.379    9.8358  4.6095  7.0068  3.3118  2.828992       5.675913 
1 1 1 0   -2  47 o 14.102  3.5286  19.136    15.930    69.994    32.499    3.0511    18.277    19.061  5.8264  9.1434  3.9820  9.917285       7.057117 
1 1 1 0   -1  1  o 109.937 33.984  -4.1050   1898.60   -1.2230   2683.07   -6.9954   2686.98   109.929 48.050  109.944 48.071  -0.1538849E-01 67.96783 
1 1 1 0   -1  2  f 395.119 7.4654  21163.50  780.977   24921.66  1107.22   17442.43  1101.74   430.450 9.6033  359.789 11.433  70.66068       14.93072 
1 1 1 0   -1  3  o 136.234 2.8414  2487.48   103.681   2480.33   146.560   2494.64   146.694   136.038 4.0222  136.430 4.0143  -0.3919678     5.682705 
1 1 1 0   -1  4  o 353.015 6.5836  16758.79  622.392   17139.56  880.393   16378.37  879.998   357.039 9.2060  348.990 9.4141  8.049622       13.16724 
1 1 1 0   -1  5  o 364.874 6.7634  17904.25  660.992   17866.72  935.331   17941.70  934.239   364.489 9.5806  365.258 9.5492  -0.7689819     13.52684 
1 1 1 0   -1  6  o 123.084 2.6770  2035.41   87.970    1855.26   124.851   2213.03   123.970   117.658 3.9617  128.511 3.6015  -10.85258      5.354087 
1 1 1 0   -1  7  o 307.476 5.7288  12696.74  471.798   12796.57  667.251   12596.92  667.196   308.688 8.0701  306.264 8.1333  2.424103       11.45765 
1 1 1 0   -1  8  o 296.976 5.6063  11841.29  445.926   11700.26  630.402   11982.52  630.868   295.203 7.9728  298.750 7.8839  -3.547943      11.21252 
1 1 1 0   -1  9  o 298.520 5.6336  11962.63  450.453   11985.65  636.881   11939.58  637.192   298.808 7.9575  298.231 7.9768  0.5764160      11.26727 
1 1 1 0   -1  10 o 265.646 5.0756  9467.76   361.134   9534.75   510.584   9400.69   510.858   266.588 7.1505  264.704 7.2053  1.884460       10.15116 
1 1 1 0   -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -1  12 o 490.422 9.0948  32381.54  1194.65   32682.26  1689.51   32080.83  1689.47   492.711 12.802  488.133 12.922  4.578491       18.18970 
1 1 1 0   -1  13 o 39.223  1.6262  206.811   17.006    209.888   23.952    203.683   24.150    39.519  2.2723  38.926  2.3270  0.5938301      3.252389 
1 1 1 0   -1  14 o 236.181 4.5483  7479.86   287.716   7401.49   406.607   7558.44   407.178   234.941 6.4614  237.422 6.4029  -2.480682      9.096516 
1 1 1 0   -1  15 o 291.442 5.5175  11395.72  430.710   11396.18  608.889   11395.25  609.344   291.448 7.7999  291.435 7.8060  0.1229858E-01  11.03506 
1 1 1 0   -1  16 o 469.410 8.6915  29659.74  1092.07   28395.40  1543.16   30928.21  1545.69   459.340 12.543  479.481 12.035  -20.14111      17.38304 
1 1 1 0   -1  17 o 255.185 4.8577  8735.74   332.018   8810.00   469.366   8661.36   469.723   256.272 6.8379  254.097 6.9017  2.175018       9.715411 
1 1 1 0   -1  18 o 159.487 3.2714  3410.44   139.708   3504.41   197.434   3316.19   197.719   161.690 4.5588  157.283 4.6933  4.406433       6.542895 
1 1 1 0   -1  19 o 293.993 5.5687  11619.18  438.444   11850.89  620.035   11387.44  620.071   296.936 7.7959  291.050 7.9540  5.885529       11.13740 
1 1 1 0   -1  20 o 157.245 3.2368  3317.20   136.327   3327.86   192.606   3306.50   192.985   157.499 4.5657  156.991 4.5895  0.5076447      6.473668 
1 1 1 0   -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -1  22 f 148.552 3.0691  2963.76   122.085   3041.69   172.561   2885.66   172.746   150.513 4.2804  146.591 4.3996  3.921631       6.138238 
1 1 1 0   -1  23 o 221.482 4.3335  6609.61   257.063   6514.75   363.289   6704.73   363.797   219.881 6.1684  223.082 6.0884  -3.200470      8.667100 
1 1 1 0   -1  24 o 110.780 2.5093  1647.61   74.439    1686.52   105.121   1608.48   105.424   112.096 3.5012  109.465 3.5957  2.630913       5.018646 
1 1 1 0   -1  25 o 70.752  2.0678  671.644   39.178    684.068   55.239    659.067   55.575    71.411  2.8879  70.092  2.9602  1.319962       4.135603 
1 1 1 0   -1  26 o 206.038 4.1061  5725.48   226.552   5869.13   320.405   5581.86   320.380   208.641 5.7334  203.435 5.8796  5.205307       8.212297 
1 1 1 0   -1  27 o 220.942 4.3296  6591.48   256.220   6618.73   362.269   6564.21   362.431   221.403 6.1088  220.481 6.1371  0.9222717      8.659235 
1 1 1 0   -1  28 o 200.682 4.0072  5435.50   215.359   5538.37   307.987   5337.08   301.251   202.536 5.6773  198.828 5.6567  3.708878       8.014341 
1 1 1 0   -1  29 o 81.697  2.3676  911.244   50.983    767.880   74.748    1035.96   69.717    75.562  3.6932  87.832  2.9634  -12.27007      4.735171 
1 1 1 0   -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -1  31 o 76.592  2.3202  799.050   47.018    712.597   69.657    871.403   63.724    72.702  3.5771  80.481  2.9561  -7.778511      4.640491 
1 1 1 0   -1  32 o 105.769 2.6000  1514.24   73.410    1483.72   107.712   1540.71   100.317   104.728 3.8398  106.809 3.5065  -2.080887      5.199988 
1 1 1 0   -1  33 o 39.135  2.0908  202.353   21.446    244.339   33.922    174.396   27.681    42.437  3.0037  35.834  2.9091  6.603428       4.181551 
1 1 1 0   -1  34 o 49.969  2.1526  342.600   28.162    318.759   43.185    360.239   37.146    48.361  3.3547  51.578  2.6982  -3.217285      4.305113 
1 1 1 0   -1  35 o 11.409  2.8714  15.694    11.045    8.8800    18.681    19.356    13.694    10.832  4.3051  11.985  3.8006  -1.152933      5.742753 
1 1 1 0   -1  36 o 54.000  2.2904  407.617   32.028    348.555   49.251    450.900   42.161    50.330  3.6789  57.670  2.7295  -7.340042      4.580855 
1 1 1 0   -1  37 o 41.945  2.2186  239.656   24.315    250.797   38.448    232.231   31.388    42.671  3.3919  41.219  2.8607  1.452557       4.437233 
1 1 1 0   -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   -1  39 o 16.771  3.1237  43.831    14.702    24.861    24.433    54.599    18.408    14.011  5.0678  19.530  3.6532  -5.518859      6.247323 
1 1 1 0   -1  40 o 34.317  2.5117  162.464   22.116    183.074   36.562    150.571   27.774    35.843  3.8697  32.791  3.2032  3.052795       5.023450 
1 1 1 0   -1  41 o 44.035  2.4361  271.944   27.527    285.902   45.561    263.919   34.545    44.623  3.8496  43.447  2.9866  1.175251       4.872285 
1 1 1 0   -1  42 o 38.670  2.5302  211.486   24.986    231.209   41.815    200.532   31.162    39.732  3.9828  37.608  3.1218  2.124523       5.060406 
1 1 1 0   -1  43 o 12.038  3.2730  12.036    13.855    33.705    26.383    3.7841    16.281    14.911  5.2805  9.1656  3.8685  5.744902       6.545939 
1 1 1 0   -1  44 o 15.370  3.5384  29.451    15.930    61.745    30.126    16.917    18.768    19.174  5.5489  11.566  4.3921  7.608179       7.076776 
1 1 1 0   -1  45 o 20.479  3.7511  72.775    19.928    63.469    37.043    76.564    23.640    18.694  6.2724  22.264  4.1157  -3.570778      7.502169 
1 1 1 0   -1  46 o 21.968  3.6769  83.968    20.030    80.280    37.100    85.485    23.797    20.485  6.2172  23.450  3.9275  -2.965754      7.353818 
1 1 1 0   0   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   0   2  o 436.766 8.3955  26086.27  958.666   32740.68  1360.83   19530.13  1350.74   493.217 10.301  380.315 13.260  112.9028       16.79091 
1 1 1 0   0   3  o 144.881 2.9610  2813.76   114.884   2875.23   162.502   2752.34   162.439   146.465 4.1422  143.298 4.2322  3.166687       5.921937 
1 1 1 0   0   4  o 364.987 6.7895  17917.25  663.728   18098.22  938.780   17736.38  938.526   366.838 9.5544  363.137 9.6491  3.700928       13.57906 
1 1 1 0   0   5  o 418.688 7.8025  23614.35  874.491   22659.81  1235.94   24571.29  1237.49   410.167 11.250  427.209 10.815  -17.04178      15.60502 
1 1 1 0   0   6  o 485.997 8.9848  31862.56  1169.03   30715.27  1652.30   33012.50  1654.21   477.175 12.928  494.819 12.481  -17.64359      17.96960 
1 1 1 0   0   7  f 417.929 7.7328  23507.16  865.612   23620.47  1224.16   23393.84  1224.16   418.942 10.909  416.917 10.962  2.024628       15.46553 
1 1 1 0   0   8  o 203.595 3.9354  5558.12   214.591   5474.43   303.314   5641.99   303.643   202.058 5.6044  205.131 5.5264  -3.072418      7.870835 
1 1 1 0   0   9  o 47.841  1.6521  307.318   21.098    326.222   29.806    288.337   29.868    49.350  2.2549  46.332  2.4151  3.017632       3.304146 
1 1 1 0   0   10 o 101.246 2.3451  1373.31   63.594    1366.21   89.825    1380.45   90.048    100.983 3.3209  101.508 3.3119  -0.5251007     4.690153 
1 1 1 0   0   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   0   12 o 136.003 2.8678  2478.98   104.437   2546.76   147.608   2411.03   147.786   137.865 3.9973  134.139 4.1133  3.726028       5.735614 
1 1 1 0   0   13 f 151.826 3.0784  3088.86   125.186   3094.75   176.870   3082.96   177.209   151.971 4.3452  151.680 4.3618  0.2901459      6.156787 
1 1 1 0   0   14 f 29.668  1.6366  119.046   12.821    133.806   18.153    104.355   18.110    31.533  2.1624  27.803  2.4572  3.729223       3.273161 
1 1 1 0   0   15 o 92.257  2.2400  1140.40   55.343    1160.44   78.106    1120.20   78.428    93.072  3.1331  91.443  3.2021  1.628471       4.479928 
1 1 1 0   0   16 o 232.230 4.4489  7232.88   276.682   7394.39   391.175   7071.19   391.400   234.828 6.2192  229.632 6.3635  5.196167       8.897892 
1 1 1 0   0   17 o 261.504 4.9670  9176.31   347.858   9347.84   491.823   9004.60   492.068   263.954 6.9565  259.053 7.0916  4.900757       9.934005 
1 1 1 0   0   18 o 79.065  2.0215  837.471   42.807    825.446   60.285    849.700   60.795    78.492  2.8674  79.637  2.8501  -1.144997      4.042920 
1 1 1 0   0   19 o 236.055 4.5021  7483.34   284.653   7447.94   402.264   7518.84   402.856   235.495 6.3774  236.616 6.3565  -1.120483      9.004195 
1 1 1 0   0   20 o 324.028 6.1598  14163.60  534.577   14342.67  755.918   13984.45  756.094   326.092 8.6546  321.964 8.7676  4.127899       12.31957 
1 1 1 0   0   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   0   22 f 79.871  2.0722  855.510   44.329    862.428   62.505    848.509   62.877    80.197  2.9099  79.546  2.9511  0.6512222      4.144418 
1 1 1 0   0   23 o 156.663 3.2495  3298.64   136.355   3304.98   192.594   3292.28   193.078   156.815 4.5853  156.511 4.6057  0.3040009      6.499059 
1 1 1 0   0   24 o 204.285 4.0322  5622.90   220.612   5702.38   311.854   5543.28   312.131   205.739 5.6591  202.830 5.7453  2.908768       8.064366 
1 1 1 0   0   25 o 338.991 6.4566  15643.36  586.245   15682.46  828.893   15604.23  829.259   339.423 9.1173  338.559 9.1446  0.8640747      12.91318 
1 1 1 0   0   26 o 274.212 5.1940  10182.86  381.477   10101.60  539.203   10264.30  539.778   273.106 7.3711  275.318 7.3197  -2.211914      10.38800 
1 1 1 0   0   27 o 177.155 3.5370  4227.28   167.822   4166.84   237.087   4287.98   237.587   175.880 5.0327  178.430 4.9712  -2.550751      7.074016 
1 1 1 0   0   28 o 99.269  2.3963  1323.86   63.706    1294.69   89.864    1353.33   90.325    98.167  3.4177  100.371 3.3598  -2.203720      4.792554 
1 1 1 0   0   29 o 54.702  1.9409  402.454   28.373    415.402   40.064    389.426   40.187    55.624  2.6891  53.779  2.7995  1.845108       3.881797 
1 1 1 0   0   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   0   31 o 91.563  2.3208  1130.09   56.904    1158.81   80.410    1101.27   80.539    92.737  3.2372  90.390  3.3266  2.347343       4.641693 
1 1 1 0   0   32 o 62.515  2.0066  526.930   33.576    548.735   47.405    504.980   47.561    63.822  2.7731  61.208  2.9010  2.614365       4.013253 
1 1 1 0   0   33 o 79.927  2.7826  860.146   54.923    896.826   99.489    844.068   65.869    80.849  4.6134  79.005  3.1127  1.843605       5.565273 
1 1 1 0   0   34 o 63.535  2.2415  555.725   37.371    500.123   56.659    598.540   49.719    60.544  3.5089  66.527  2.7902  -5.982311      4.483097 
1 1 1 0   0   35 o 22.288  2.6635  69.454    14.972    70.637    24.036    68.704    19.138    22.340  4.1703  22.236  3.3146  0.1041374      5.327064 
1 1 1 0   0   36 f 56.593  2.2739  443.087   33.591    407.351   51.996    468.685   44.007    54.430  3.5866  58.756  2.7963  -4.325947      4.547867 
1 1 1 0   0   37 o 10.216  2.9056  7.4821    11.574    7.4690    20.352    7.4884    14.071    10.903  4.4372  9.5290  3.7524  1.374232       5.811113 
1 1 1 0   0   38 o 54.350  2.2858  402.521   32.539    433.715   51.807    382.199   41.816    55.951  3.4741  52.749  2.9717  3.201527       4.571694 
1 1 1 0   0   39 o 21.132  3.1628  67.226    16.327    60.130    28.983    70.525    19.761    19.951  5.3245  22.312  3.4153  -2.360416      6.325656 
1 1 1 0   0   40 o 24.996  3.0083  94.227    18.140    82.731    30.949    100.244   22.389    23.328  5.0957  26.664  3.1988  -3.335741      6.016505 
1 1 1 0   0   41 f 21.482  2.9948  59.347    16.574    122.477   28.776    28.008    20.275    29.062  3.7866  13.902  4.6406  15.16042       5.989508 
1 1 1 0   0   42 o 29.692  2.7866  120.771   20.722    166.441   36.162    98.444    25.284    33.495  4.1175  25.889  3.7559  7.605991       5.573217 
1 1 1 0   0   43 o 12.802  3.2448  8.4186    14.412    50.929    27.790    -7.2198   16.855    17.643  5.3868  7.9623  3.6192  9.680452       6.489662 
1 1 1 0   0   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   0   45 o 20.492  3.8266  74.037    20.571    65.640    38.026    77.511    24.459    18.763  6.3548  22.221  4.2646  -3.457933      7.653180 
1 1 1 0   0   46 o 16.421  3.8618  47.389    18.539    51.506    36.698    45.978    21.482    16.373  6.1592  16.469  4.6604  -0.9552765E-01 7.723618 
1 1 1 0   1   0  o 108.050 33.360  0.1819    1824.61   -0.0733   2581.17   0.4368    2579.60   108.062 47.185  108.038 47.172  0.2433777E-01  66.72028 
1 1 1 0   1   1  o 440.014 8.1261  26089.59  957.721   26034.63  1354.30   26144.56  1354.54   439.547 11.503  440.480 11.481  -0.9322815     16.25229 
1 1 1 0   1   2  o 469.530 8.7252  29797.77  1093.40   32739.90  1548.50   26872.33  1544.11   492.853 11.730  446.207 12.920  46.64639       17.45040 
1 1 1 0   1   3  o 325.958 6.0831  14278.07  531.102   14248.07  751.066   14308.08  751.116   325.615 8.6116  326.302 8.5941  -0.6872253     12.16627 
1 1 1 0   1   4  f 281.150 5.2746  10613.72  397.153   10818.48  561.777   10409.13  561.542   283.867 7.3886  278.432 7.5296  5.435486       10.54923 
1 1 1 0   1   5  o 132.871 2.7881  2366.30   99.208    2418.01   140.310   2314.59   140.294   134.324 3.8998  131.418 3.9856  2.906006       5.576165 
1 1 1 0   1   6  o 272.215 5.1250  9946.32   373.645   10100.97  528.510   9791.78   528.316   274.335 7.1926  270.095 7.3028  4.240295       10.25007 
1 1 1 0   1   7  o 147.112 3.0087  2900.55   118.547   2936.08   167.630   2865.01   167.671   148.014 4.2283  146.210 4.2815  1.803711       6.017403 
1 1 1 0   1   8  o 182.514 3.5881  4465.44   175.409   4485.91   248.010   4444.96   248.121   182.933 5.0616  182.095 5.0872  0.8377991      7.176296 
1 1 1 0   1   9  o 470.343 8.6754  29782.61  1092.77   29188.86  1544.85   30377.23  1545.97   465.627 12.387  475.059 12.150  -9.431183      17.35072 
1 1 1 0   1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   1   11 o 211.612 4.0771  6003.51   231.081   6054.10   326.701   5952.85   326.897   212.505 5.7397  210.719 5.7919  1.786362       8.154152 
1 1 1 0   1   12 o 98.290  2.2779  1294.28   59.968    1304.68   84.692    1283.83   84.923    98.686  3.2041  97.894  3.2388  0.7922745      4.555839 
1 1 1 0   1   13 o 444.330 8.1629  26552.09  971.017   25574.69  1372.27   27532.22  1374.19   436.107 11.748  452.553 11.337  -16.44553      16.32580 
1 1 1 0   1   14 o 79.990  2.0514  857.652   43.916    895.254   61.997    819.785   62.215    81.751  2.8313  78.228  2.9692  3.522507       4.102768 
1 1 1 0   1   15 o 393.093 7.2944  20762.57  767.974   21039.22  1086.11   20485.94  1086.05   395.720 10.247  390.465 10.384  5.254761       14.58886 
1 1 1 0   1   16 o 447.071 8.2700  26894.73  990.286   26664.73  1400.07   27125.00  1400.88   445.150 11.742  448.993 11.649  -3.842377      16.54001 
1 1 1 0   1   17 o 206.736 4.0125  5732.81   222.123   5889.19   314.100   5576.38   314.159   209.561 5.5959  203.911 5.7520  5.649155       8.024932 
1 1 1 0   1   18 o 419.628 7.7363  23756.24  868.949   22730.88  1227.83   24785.10  1229.93   410.492 11.167  428.763 10.710  -18.27151      15.47263 
1 1 1 0   1   19 o 136.903 2.8602  2513.45   104.876   2478.60   148.111   2548.49   148.523   135.951 4.0674  137.856 4.0223  -1.905350      5.720406 
1 1 1 0   1   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   1   21 o 272.092 5.1882  9988.09   378.096   10081.83  534.619   9894.29   534.800   273.379 7.3011  270.805 7.3730  2.573975       10.37630 
1 1 1 0   1   22 o 109.432 2.4967  1607.08   73.163    1561.60   103.236   1652.96   103.701   107.874 3.5729  110.990 3.4883  -3.115837      4.993367 
1 1 1 0   1   23 o 27.333  1.8875  101.139   13.640    100.656   19.437    101.607   19.147    27.265  2.6969  27.401  2.6416  -0.1362133     3.775050 
1 1 1 0   1   24 o 103.004 2.4364  1424.23   67.198    1378.89   94.788    1470.04   95.277    101.352 3.4917  104.655 3.3989  -3.302711      4.872815 
1 1 1 0   1   25 o 250.881 4.9005  8510.24   329.304   8530.84   465.472   8489.59   465.942   251.189 6.9184  250.573 6.9424  0.6163483      9.801046 
1 1 1 0   1   26 o 191.342 3.7925  4933.50   194.364   4967.70   274.697   4899.21   275.049   192.011 5.3412  190.673 5.3856  1.337967       7.585023 
1 1 1 0   1   27 o 65.526  2.0156  576.148   35.373    567.288   49.863    585.123   50.189    65.018  2.8632  66.034  2.8376  -1.015373      4.031131 
1 1 1 0   1   28 o 116.673 2.6901  1830.97   84.059    1795.33   118.594   1866.96   119.164   115.528 3.8325  117.818 3.7761  -2.289879      5.380284 
1 1 1 0   1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   1   30 o 9.0906  2.4671  3.7900    9.3956    15.498    13.120    -8.5351   13.462    11.093  3.7329  7.0886  3.2268  4.003958       4.934224 
1 1 1 0   1   31 o 60.318  2.0016  489.743   32.326    472.152   45.398    507.836   46.041    59.215  2.8623  61.420  2.7986  -2.204216      4.003122 
1 1 1 0   1   32 o 60.391  1.9713  491.813   31.883    497.837   44.912    485.694   45.269    60.768  2.7593  60.014  2.8162  0.7539558      3.942699 
1 1 1 0   1   33 o 51.703  1.9458  362.160   26.839    370.999   37.802    353.177   38.110    52.351  2.7052  51.055  2.7975  1.295277       3.891515 
1 1 1 0   1   34 o 18.763  2.4437  49.464    11.775    59.567    16.926    39.990    16.390    20.725  3.1482  16.801  3.7385  3.923521       4.887486 
1 1 1 0   1   35 o 23.438  2.2530  76.016    13.771    74.818    19.123    77.307    19.847    23.251  3.1519  23.625  3.2203  -0.3739586     4.506083 
1 1 1 0   1   36 o 40.470  1.9816  223.454   21.325    210.182   29.779    237.425   30.552    39.217  2.8545  41.722  2.7493  -2.505436      3.963194 
1 1 1 0   1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   1   38 f 17.205  3.1518  37.957    14.432    65.044    25.172    24.693    17.614    21.060  4.5918  13.349  4.3186  7.710807       6.303567 
1 1 1 0   1   39 o 16.451  3.4307  38.324    15.406    46.469    26.997    34.391    18.760    17.597  5.2952  15.306  4.3635  2.291538       6.861452 
1 1 1 0   1   40 o 23.528  3.1816  89.176    18.100    62.385    30.553    103.663   22.467    19.962  5.5260  27.093  3.1551  -7.131006      6.363273 
1 1 1 0   1   41 o 40.911  2.5750  239.453   26.776    246.510   44.690    235.500   33.444    40.979  4.1277  40.843  3.0798  0.1362343      5.150060 
1 1 1 0   1   42 o 8.3962  2.6334  -7.9837   13.110    -47.6605  24.770    7.4575    15.452    7.2328  3.5667  9.5597  3.8752  -2.326878      5.266717 
1 1 1 0   1   43 o 9.4187  2.9409  0.0213    13.578    -7.9169   25.743    3.0810    15.982    9.8590  4.4779  8.9784  3.8135  0.8805227      5.881734 
1 1 1 0   1   44 o 11.047  3.2115  -1.2834   14.196    34.538    28.525    -13.0776  16.367    14.870  5.4608  7.2228  3.3814  7.647494       6.422939 
1 1 1 0   1   45 o 14.835  3.7343  35.302    17.329    38.643    33.974    34.127    20.147    15.198  5.8744  14.472  4.6121  0.7255259      7.468660 
1 1 1 0   2   0  o 657.158 17.158  59257.49  2847.27   59940.92  4931.39   58915.73  3487.26   657.055 28.021  657.261 19.809  -0.2052612     34.31537 
1 1 1 0   2   1  o 271.815 5.1309  9919.06   373.551   9850.74   528.250   9987.39   528.311   270.876 7.2808  272.753 7.2315  -1.876831      10.26184 
1 1 1 0   2   2  o 295.842 5.5452  11756.78  439.276   12089.80  621.459   11424.24  621.003   300.042 7.7329  291.643 7.9497  8.398529       11.09035 
1 1 1 0   2   3  o 489.936 9.0429  32388.47  1186.47   33117.88  1678.51   31660.06  1677.34   495.489 12.647  484.383 12.928  11.10648       18.08590 
1 1 1 0   2   4  o 397.628 7.3558  21278.32  783.232   20728.56  1107.16   21829.08  1108.16   392.462 10.532  402.794 10.271  -10.33142      14.71158 
1 1 1 0   2   5  o 419.928 7.7312  23736.71  869.477   24166.62  1229.96   23307.26  1229.29   423.747 10.837  416.108 11.030  7.639130       15.46238 
1 1 1 0   2   6  o 328.252 6.1423  14475.90  539.912   14852.40  763.836   14099.97  763.266   332.531 8.5759  323.973 8.7958  8.557159       12.28465 
1 1 1 0   2   7  o 274.626 5.2104  10122.10  383.192   9884.83   541.678   10359.80  542.153   271.397 7.4515  277.854 7.2848  -6.456604      10.42081 
1 1 1 0   2   8  o 131.811 2.7863  2328.12   98.367    2348.05   139.058   2308.15   139.165   132.376 3.9219  131.246 3.9587  1.130112       5.572536 
1 1 1 0   2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   2   10 o 384.187 7.1191  19831.52  732.528   19555.24  1035.66   20108.11  1036.24   381.501 10.135  386.873 10.000  -5.372009      14.23812 
1 1 1 0   2   11 f 197.052 3.7845  5205.42   199.702   5072.13   282.208   5339.12   282.635   194.523 5.4164  199.581 5.2871  -5.058182      7.569062 
1 1 1 0   2   12 o 176.215 3.4910  4161.61   164.769   4170.53   232.911   4152.66   233.127   176.405 4.9294  176.026 4.9445  0.3787231      6.981910 
1 1 1 0   2   13 o 72.464  1.9349  703.636   37.527    669.952   52.938    737.661   53.204    70.720  2.7947  74.209  2.6767  -3.488396      3.869791 
1 1 1 0   2   14 o 245.921 4.7402  8110.11   312.231   8098.12   441.372   8122.12   441.751   245.739 6.7057  246.103 6.7015  -0.3640747     9.480309 
1 1 1 0   2   15 o 322.855 6.0606  13993.60  524.062   14173.34  741.071   13813.79  741.201   324.934 8.5148  320.776 8.6267  4.157990       12.12117 
1 1 1 0   2   16 o 441.051 8.2374  26188.38  973.118   26075.74  1375.89   26301.11  1376.50   440.097 11.672  442.004 11.627  -1.906708      16.47483 
1 1 1 0   2   17 o 223.122 4.2535  6680.15   254.166   6809.53   359.393   6550.71   359.498   225.287 5.9559  220.956 6.0744  4.330902       8.507059 
1 1 1 0   2   18 o 220.083 4.3440  6505.83   255.976   6711.55   362.018   6300.13   361.992   223.572 6.0454  216.593 6.2397  6.979202       8.687963 
1 1 1 0   2   19 o 53.992  1.8158  390.748   26.254    398.061   36.996    383.328   37.263    54.502  2.5343  53.483  2.6012  1.019016       3.631655 
1 1 1 0   2   20 o 263.219 5.0400  9338.16   355.310   9466.90   502.370   9209.31   502.597   265.046 7.0764  261.392 7.1786  3.654388       10.08006 
1 1 1 0   2   21 o 158.731 3.2800  3385.68   139.415   3472.09   197.097   3299.15   197.229   160.765 4.5772  156.697 4.6992  4.067886       6.559953 
1 1 1 0   2   22 o 184.905 3.7257  4600.19   184.519   4636.23   260.836   4564.08   261.062   185.634 5.2459  184.177 5.2920  1.457458       7.451498 
1 1 1 0   2   23 o 68.117  1.9792  622.266   36.105    606.406   50.874    638.359   51.247    67.241  2.8247  68.992  2.7732  -1.750626      3.958479 
1 1 1 0   2   24 o 272.363 5.3020  10044.54  386.691   10310.22  546.922   9778.98   546.806   276.004 7.3981  268.723 7.5970  7.281433       10.60406 
1 1 1 0   2   25 o 112.115 2.5856  1688.25   77.629    1724.80   109.693   1651.57   109.876   113.335 3.6135  110.896 3.6991  2.439034       5.171155 
1 1 1 0   2   26 o 284.571 5.4357  10990.58  414.321   10995.12  585.745   10986.03  586.132   284.632 7.6831  284.510 7.6915  0.1217346      10.87144 
1 1 1 0   2   27 o 46.542  1.9178  291.666   23.804    292.408   33.647    290.923   33.681    46.602  2.7073  46.483  2.7171  0.1197815      3.835603 
1 1 1 0   2   28 o 148.233 3.1504  2963.51   125.046   3041.41   176.655   2885.28   177.028   150.201 4.3910  146.266 4.5187  3.934357       6.300748 
1 1 1 0   2   29 f 112.714 2.5993  1711.62   78.472    1700.01   110.669   1723.36   111.285   112.329 3.6783  113.099 3.6735  -0.7700043     5.198530 
1 1 1 0   2   30 o 91.650  2.3158  1132.18   56.831    1163.15   80.312    1101.11   80.429    92.914  3.2271  90.386  3.3222  2.528046       4.631538 
1 1 1 0   2   31 o 49.866  1.9209  335.854   25.559    334.413   35.956    337.326   36.339    49.758  2.7080  49.973  2.7252  -0.2142487     3.841872 
1 1 1 0   2   32 o 36.940  1.9424  185.327   19.050    196.378   26.888    174.187   26.995    38.069  2.6535  35.812  2.8375  2.257458       3.884875 
1 1 1 0   2   33 o 70.170  2.0790  666.657   39.065    679.318   55.005    653.771   55.491    70.853  2.8984  69.487  2.9815  1.365875       4.158088 
1 1 1 0   2   34 o 42.501  1.9543  245.579   22.125    242.403   31.000    248.876   31.587    42.222  2.7562  42.781  2.7715  -0.5589676     3.908695 
1 1 1 0   2   35 o 36.251  2.0126  179.416   19.375    171.620   27.134    187.527   27.674    35.433  2.8840  37.068  2.8081  -1.634632      4.025282 
1 1 1 0   2   36 o 73.108  2.1797  729.758   42.681    733.209   60.225    726.276   60.497    73.288  3.0680  72.928  3.0970  0.3604279      4.359369 
1 1 1 0   2   37 o 16.864  2.7465  41.333    12.233    49.228    17.087    33.032    17.520    18.593  3.5606  15.135  4.1826  3.458094       5.492914 
1 1 1 0   2   38 o 11.127  2.4829  11.026    10.422    32.923    14.866    -10.1351  14.614    15.074  3.7076  7.1803  3.3034  7.893468       4.965808 
1 1 1 0   2   39 o 33.191  2.2088  154.580   19.342    164.458   27.048    144.243   27.669    34.355  2.9685  32.026  3.2715  2.329586       4.417613 
1 1 1 0   2   40 o 10.815  3.0204  11.699    12.357    7.2999    22.511    13.597    14.784    11.007  4.5908  10.624  3.9263  0.3823137      6.040814 
1 1 1 0   2   41 f 35.857  2.7544  185.110   24.562    197.582   42.634    178.914   30.050    36.270  4.4841  35.444  3.1998  0.8261337      5.508720 
1 1 1 0   2   42 o 37.447  2.6970  200.809   25.369    223.711   43.857    189.292   31.101    38.561  4.3204  36.333  3.2295  2.227901       5.394021 
1 1 1 0   2   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   2   44 o 10.371  3.2259  2.0311    14.893    10.137    30.671    -0.4698   17.036    12.075  5.2083  8.6677  3.8077  3.406830       6.451753 
1 1 1 0   2   45 o 21.903  3.6577  73.263    20.126    120.342   36.804    53.179    24.039    26.220  5.4197  17.587  4.9135  8.632780       7.315394 
1 1 1 0   3   0  o 722.352 13.521  71429.71  2591.99   60310.07  3656.96   82655.37  3674.35   664.635 20.542  780.070 17.586  -115.4343      27.04140 
1 1 1 0   3   1  f 558.193 10.307  42139.63  1540.54   43383.43  2179.61   40898.02  2177.69   566.502 14.364  549.883 14.785  16.61884       20.61426 
1 1 1 0   3   2  o 423.792 7.8530  24185.68  891.388   24372.01  1260.84   23999.47  1260.39   425.433 11.065  422.152 11.147  3.281097       15.70595 
1 1 1 0   3   3  o 494.093 9.1109  32935.36  1205.44   33814.06  1705.41   32058.02  1704.08   500.726 12.716  487.460 13.052  13.26614       18.22172 
1 1 1 0   3   4  o 129.680 2.7053  2254.55   93.901    2154.66   132.721   2354.68   132.871   126.801 3.9078  132.559 3.7422  -5.758514      5.410646 
1 1 1 0   3   5  o 232.479 4.4507  7249.47   277.140   7246.65   391.908   7252.30   391.964   232.434 6.2950  232.524 6.2934  -0.9072876E-01 8.901378 
1 1 1 0   3   6  o 234.928 4.4721  7402.85   281.379   7280.08   397.773   7525.81   398.088   232.976 6.3743  236.881 6.2742  -3.904770      8.944159 
1 1 1 0   3   7  o 141.761 2.9075  2692.95   110.400   2688.82   156.107   2697.07   156.151   141.652 4.1144  141.870 4.1093  -0.2171631     5.815037 
1 1 1 0   3   8  o 339.901 8.9553  15569.88  813.692   14403.25  1147.94   16747.95  1153.55   327.029 13.105  352.774 12.208  -25.74539      17.91051 
1 1 1 0   3   9  o 594.204 11.004  47686.53  1749.09   50530.24  2475.67   44852.38  2471.51   612.038 15.102  576.371 16.009  35.66705       22.00813 
1 1 1 0   3   10 o 362.429 6.7109  17640.33  651.464   17541.24  921.155   17739.49  921.462   361.408 9.5158  363.450 9.4655  -2.041840      13.42187 
1 1 1 0   3   11 o 319.688 5.9531  13715.82  509.754   13670.71  720.780   13760.96  721.021   319.161 8.4315  320.215 8.4065  -1.053741      11.90629 
1 1 1 0   3   12 f 217.493 4.1780  6341.42   243.389   6350.46   344.136   6332.38   344.273   217.649 5.9032  217.338 5.9140  0.3103943      8.355968 
1 1 1 0   3   13 o 287.683 5.4649  11103.07  421.096   11142.11  595.423   11064.00  595.615   288.190 7.7136  287.176 7.7433  1.013885       10.92973 
1 1 1 0   3   14 o 396.336 7.3742  21118.97  782.197   20115.63  1105.23   22125.80  1107.15   386.870 10.666  405.803 10.186  -18.93335      14.74849 
1 1 1 0   3   15 o 308.838 5.8441  12805.53  483.437   12823.67  683.560   12787.38  683.807   309.058 8.2575  308.619 8.2722  0.4389648      11.68827 
1 1 1 0   3   16 o 492.101 9.0172  32676.82  1188.41   32097.47  1680.02   33257.07  1681.32   487.704 12.861  496.498 12.643  -8.794800      18.03442 
1 1 1 0   3   17 o 139.778 2.8680  2619.34   107.374   2609.39   151.686   2629.33   152.014   139.512 4.0593  140.044 4.0526  -0.5322876     5.735929 
1 1 1 0   3   18 o 353.478 6.6228  16864.18  626.995   17095.15  886.691   16633.19  886.719   355.918 9.3011  351.038 9.4307  4.879395       13.24567 
1 1 1 0   3   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   3   20 o 212.747 4.1248  6090.70   235.039   6144.92   332.232   6036.37   332.559   213.700 5.8043  211.794 5.8623  1.905823       8.249586 
1 1 1 0   3   21 o 180.710 3.6213  4392.12   175.257   4469.97   247.742   4314.13   247.959   182.320 5.0731  179.100 5.1689  3.220169       7.242511 
1 1 1 0   3   22 o 219.977 4.2556  6522.08   250.724   6614.97   354.504   6429.11   354.650   221.554 5.9738  218.399 6.0626  3.155029       8.511281 
1 1 1 0   3   23 o 110.308 2.5828  1633.65   76.309    1623.21   107.769   1644.15   108.068   109.954 3.6592  110.662 3.6459  -0.7078934     5.165533 
1 1 1 0   3   24 o 254.866 4.9352  8783.21   336.851   8601.39   476.014   8965.59   476.745   252.200 7.0467  257.531 6.9114  -5.331299      9.870336 
1 1 1 0   3   25 o 246.185 4.7825  8196.61   315.329   8324.51   445.894   8068.65   445.992   248.126 6.7092  244.245 6.8173  3.880661       9.564998 
1 1 1 0   3   26 o 106.512 2.5317  1525.53   72.143    1607.73   101.875   1442.85   102.175   109.402 3.4766  103.622 3.6813  5.780235       5.063476 
1 1 1 0   3   27 o 68.008  2.0399  620.976   37.157    618.285   52.303    623.718   52.798    67.860  2.8776  68.156  2.8921  -0.2966156     4.079816 
1 1 1 0   3   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   3   29 o 66.087  2.0936  587.548   37.059    583.145   52.298    591.989   52.521    65.838  2.9657  66.336  2.9559  -0.4983139     4.187206 
1 1 1 0   3   30 o 45.915  1.9296  284.879   23.611    294.459   33.310    275.207   33.472    46.702  2.6740  45.129  2.7827  1.573139       3.859254 
1 1 1 0   3   31 o 65.399  2.0488  577.026   35.887    571.756   50.452    582.423   51.057    65.098  2.8935  65.701  2.9013  -0.6031342     4.097553 
1 1 1 0   3   32 o 56.597  1.9710  432.775   29.877    437.296   42.170    428.220   42.335    56.898  2.7671  56.297  2.8075  0.6006126      3.941958 
1 1 1 0   3   33 o 26.835  2.0635  98.689    14.587    99.790    20.433    97.546    20.831    26.999  2.8695  26.671  2.9662  0.3285007      4.127007 
1 1 1 0   3   34 o 63.445  2.0548  546.300   34.917    551.701   49.364    540.892   49.397    63.764  2.8903  63.127  2.9214  0.6366348      4.109591 
1 1 1 0   3   35 o 73.679  2.1871  740.116   43.158    748.012   60.795    732.094   61.276    74.088  3.0636  73.271  3.1223  0.8169403      4.374262 
1 1 1 0   3   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   3   37 o 48.766  2.0374  326.777   26.489    320.365   36.996    333.522   37.944    48.277  2.8740  49.255  2.8887  -0.9782257     4.074898 
1 1 1 0   3   38 o 18.206  2.8101  48.435    13.323    51.422    18.827    45.440    18.857    18.812  3.8656  17.600  4.0797  1.212463       5.620245 
1 1 1 0   3   39 o 25.004  2.3881  89.085    15.583    89.227    21.913    88.940    22.165    25.035  3.3520  24.972  3.4023  0.6293488E-01  4.776147 
1 1 1 0   3   40 o 10.143  2.5502  4.0724    10.674    -15.3177  14.343    28.145    15.981    6.5263  3.0891  13.760  4.0585  -7.234040      5.100402 
1 1 1 0   3   41 o 24.920  2.5235  90.874    16.221    103.689   23.076    78.355    22.808    26.844  3.2775  22.997  3.8381  3.846985       5.047048 
1 1 1 0   3   42 o 15.203  3.8291  29.201    16.684    52.265    36.667    23.180    18.735    17.685  6.2293  12.720  4.4547  4.965335       7.658208 
1 1 1 0   3   43 o 11.703  3.3170  15.121    16.081    -5.6669   30.714    22.972    18.875    10.823  4.9063  12.583  4.4654  -1.760115      6.634062 
1 1 1 0   3   44 o 12.227  3.5377  13.043    16.449    34.231    32.459    5.7217    19.080    14.665  5.7214  9.7885  4.1624  4.876033       7.075320 
1 1 1 0   4   0  o 432.264 7.9775  25165.87  923.595   25464.45  1306.31   24867.43  1306.01   434.842 11.216  429.686 11.348  5.155945       15.95496 
1 1 1 0   4   1  o 297.738 5.5804  11904.43  445.020   12004.79  629.456   11804.14  629.251   298.996 7.8598  296.480 7.9239  2.515808       11.16085 
1 1 1 0   4   2  o 111.405 2.4499  1663.44   73.072    1723.79   103.424   1603.28   103.254   113.424 3.4043  109.386 3.5242  4.038445       4.899882 
1 1 1 0   4   3  o 256.560 4.8215  8834.57   331.163   9169.84   468.716   8500.39   467.956   261.431 6.6937  251.690 6.9415  9.740997       9.643070 
1 1 1 0   4   4  o 192.920 3.7451  4989.84   193.519   4963.66   273.638   5016.03   273.716   192.414 5.3095  193.427 5.2832  -1.013428      7.490149 
1 1 1 0   4   5  o 372.910 6.9248  18689.61  691.605   18984.10  978.306   18395.40  977.847   375.856 9.7177  369.963 9.8679  5.893311       13.84951 
1 1 1 0   4   6  o 98.749  2.2758  1306.46   60.190    1324.11   85.140    1288.82   85.102    99.416  3.1973  98.082  3.2394  1.333931       4.551542 
1 1 1 0   4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   4   8  o 119.643 2.6076  1918.07   83.551    1954.73   118.144   1881.39   118.173   120.788 3.6518  118.499 3.7232  2.288483       5.215106 
1 1 1 0   4   9  o 623.922 11.459  52552.29  1914.90   52774.70  2708.13   52329.91  2708.03   625.253 16.171  622.592 16.239  2.661377       22.91711 
1 1 1 0   4   10 o 41.266  1.6704  229.010   18.366    240.959   25.966    217.046   25.981    42.352  2.2976  40.181  2.4254  2.170788       3.340873 
1 1 1 0   4   11 o 159.219 3.2499  3397.57   138.571   3476.44   195.978   3318.71   195.960   161.068 4.5426  157.370 4.6490  3.698502       6.499896 
1 1 1 0   4   12 o 264.855 4.9776  9409.33   353.039   9645.03   499.373   9173.82   499.171   268.177 6.9521  261.534 7.1258  6.642029       9.955298 
1 1 1 0   4   13 o 550.541 10.153  40849.60  1497.15   41333.56  2117.55   40365.88  2117.02   553.821 14.275  547.260 14.443  6.561401       20.30666 
1 1 1 0   4   14 o 218.198 4.2788  6385.06   250.026   6524.34   353.627   6245.83   353.553   220.580 5.9854  215.815 6.1162  4.765289       8.557609 
1 1 1 0   4   15 o 191.869 3.7469  4936.95   192.509   4803.30   272.041   5071.01   272.458   189.264 5.3663  194.473 5.2306  -5.208786      7.493759 
1 1 1 0   4   16 o 228.785 4.3780  7027.31   268.197   7231.72   379.365   6823.07   379.209   232.120 6.1018  225.451 6.2797  6.668396       8.755918 
1 1 1 0   4   17 f 82.567  2.1224  913.692   46.936    917.712   66.290    909.651   66.465    82.749  2.9909  82.385  3.0120  0.3646545      4.244701 
1 1 1 0   4   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   4   19 o 288.234 5.4515  11215.37  420.808   10978.86  594.737   11452.48  595.489   285.168 7.7864  291.300 7.6321  -6.131836      10.90306 
1 1 1 0   4   20 o 100.381 2.3570  1351.76   63.372    1351.82   89.478    1351.70   89.764    100.383 3.3279  100.379 3.3387  0.4928589E-02  4.713960 
1 1 1 0   4   21 o 139.533 2.9436  2615.08   110.011   2587.43   155.377   2642.88   155.781   138.792 4.1796  140.274 4.1462  -1.482529      5.887267 
1 1 1 0   4   22 o 33.967  1.8249  155.616   16.476    157.187   23.179    154.010   23.424    34.144  2.5530  33.790  2.6083  0.3539162      3.649801 
1 1 1 0   4   23 o 194.950 3.8677  5119.64   201.907   4979.48   285.192   5260.48   285.888   192.260 5.5381  197.639 5.4005  -5.378616      7.735358 
1 1 1 0   4   24 f 73.749  2.1100  729.748   41.679    734.257   58.861    725.213   59.026    73.978  2.9705  73.520  2.9975  0.4582596      4.220040 
1 1 1 0   4   25 o 73.921  2.1146  733.578   41.847    760.415   59.160    706.706   59.200    75.277  2.9341  72.564  3.0459  2.712715       4.229250 
1 1 1 0   4   26 o 48.925  1.9306  322.166   25.188    309.599   35.346    335.132   35.903    47.950  2.7638  49.901  2.6962  -1.950684      3.861136 
1 1 1 0   4   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   4   28 o 14.159  2.9463  27.513    11.934    28.979    16.625    25.955    17.140    14.469  4.1016  13.848  4.2309  0.6213026      5.892691 
1 1 1 0   4   29 o 65.124  2.0228  570.802   35.283    562.706   49.707    579.023   50.089    64.658  2.8702  65.591  2.8511  -0.9329300     4.045583 
1 1 1 0   4   30 o 34.843  1.9314  164.487   17.876    159.557   25.041    169.612   25.528    34.305  2.7483  35.381  2.7145  -1.076286      3.862872 
1 1 1 0   4   31 o 36.956  1.9397  185.274   19.009    167.896   26.536    203.592   27.244    35.149  2.8429  38.763  2.6397  -3.613914      3.879435 
1 1 1 0   4   32 o 14.641  2.5866  30.344    10.118    31.571    14.149    29.061    14.475    14.940  3.5822  14.342  3.7322  0.5984621      5.173181 
1 1 1 0   4   33 o 36.923  1.9560  185.633   19.204    186.821   27.145    184.443   27.172    37.044  2.7555  36.801  2.7770  0.2424507      3.912070 
1 1 1 0   4   34 o 64.837  2.0694  571.324   35.936    572.610   50.571    570.013   51.076    64.916  2.9084  64.757  2.9447  0.1590729      4.138862 
1 1 1 0   4   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   4   36 o 44.384  2.0328  270.568   24.006    285.881   34.004    255.352   33.897    45.672  2.7931  43.096  2.9543  2.575493       4.065622 
1 1 1 0   4   37 o 11.969  2.5744  16.087    10.931    36.461    15.413    -4.5297   15.504    15.866  3.6956  8.0719  3.5851  7.794160       5.148797 
1 1 1 0   4   38 o 27.231  2.2829  104.524   16.324    102.355   23.030    106.713   23.142    26.931  3.2589  27.530  3.1979  -0.5994282     4.565838 
1 1 1 0   4   39 o 36.553  2.1548  188.126   20.831    205.003   29.503    171.350   29.416    38.282  2.8988  34.825  3.1889  3.456993       4.309589 
1 1 1 0   4   40 o 9.4016  2.6611  3.7413    11.070    -9.0811   15.559    16.883    15.752    7.4672  3.4255  11.336  4.0732  -3.868959      5.322105 
1 1 1 0   4   41 o 10.127  2.8679  9.2110    11.921    13.124    16.642    5.0871    17.084    10.716  4.1198  9.5388  3.9908  1.176861       5.735803 
1 1 1 0   4   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   4   43 o 13.121  2.3360  12.598    12.477    -29.1659  17.110    60.037    18.235    6.2451  3.0561  19.998  3.5337  -13.75255      4.671919 
1 1 1 0   4   44 o 12.695  3.2310  25.199    14.034    26.406    19.406    23.877    20.318    12.898  4.5328  12.492  4.6056  0.4066687      6.461999 
1 1 1 0   5   0  o 106.756 2.3880  1527.06   68.278    1501.38   96.407    1552.90   96.714    105.855 3.4002  107.657 3.3540  -1.801544      4.776044 
1 1 1 0   5   1  o 489.086 8.9900  32245.49  1177.65   32586.31  1665.74   31904.90  1665.16   491.686 12.648  486.485 12.779  5.200470       17.98003 
1 1 1 0   5   2  o 243.732 4.6367  7969.11   302.700   7971.25   428.121   7966.97   428.043   243.765 6.5570  243.699 6.5576  0.6546021E-01  9.273418 
1 1 1 0   5   3  o 143.183 2.9544  2747.42   113.304   2735.79   160.330   2759.02   160.142   142.880 4.1894  143.486 4.1669  -0.6057892     5.908809 
1 1 1 0   5   4  o 118.635 2.5517  1885.85   81.072    1923.66   114.801   1848.23   114.506   119.822 3.5770  117.449 3.6399  2.373444       5.103332 
1 1 1 0   5   5  o 482.544 8.9020  31349.97  1150.53   31691.95  1627.36   31008.22  1626.82   485.189 12.522  479.900 12.656  5.289185       17.80408 
1 1 1 0   5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   5   7  o 465.271 8.5667  29124.31  1067.60   28983.53  1509.70   29265.14  1509.92   464.141 12.144  466.401 12.087  -2.259369      17.13348 
1 1 1 0   5   8  o 446.635 8.2174  26824.71  983.047   26880.37  1390.24   26769.06  1390.24   447.100 11.609  446.170 11.633  0.9304199      16.43474 
1 1 1 0   5   9  o 405.028 7.5235  22042.93  816.175   22232.34  1154.37   21853.61  1154.12   406.773 10.595  403.282 10.684  3.490784       15.04703 
1 1 1 0   5   10 o 237.431 4.5229  7558.58   287.634   7509.32   406.674   7607.89   406.877   236.656 6.4156  238.206 6.3771  -1.549835      9.045863 
1 1 1 0   5   11 o 274.248 5.2101  10088.34  382.720   10083.65  541.143   10093.04  541.352   274.184 7.3685  274.312 7.3679  -0.1276245     10.42024 
1 1 1 0   5   12 o 261.021 5.0013  9138.95   349.633   9279.37   494.453   8998.52   494.457   263.030 7.0183  259.013 7.1272  4.017059       10.00266 
1 1 1 0   5   13 o 138.033 2.9198  2553.73   107.917   2626.54   152.568   2480.82   152.668   140.003 4.0685  136.062 4.1891  3.941284       5.839646 
1 1 1 0   5   14 o 423.623 7.8601  24158.89  891.860   24079.71  1261.08   24238.13  1261.48   422.925 11.132  424.321 11.099  -1.395538      15.72027 
1 1 1 0   5   15 o 63.900  1.8891  547.130   32.328    555.874   45.633    538.320   45.804    64.413  2.6450  63.387  2.6978  1.025738       3.778116 
1 1 1 0   5   16 o 474.297 8.8260  30494.67  1121.19   30857.78  1585.75   30131.69  1585.46   477.154 12.408  471.440 12.556  5.714355       17.65199 
1 1 1 0   5   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   5   18 o 264.033 5.0566  9397.49   357.603   9369.47   505.552   9425.56   505.904   263.637 7.1593  264.428 7.1428  -0.7919006     10.11315 
1 1 1 0   5   19 o 194.505 3.8254  5088.79   199.290   5135.10   281.736   5042.42   281.942   195.395 5.3832  193.616 5.4366  1.779709       7.650857 
1 1 1 0   5   20 o 291.866 5.5155  11527.99  430.821   10978.35  608.610   12080.04  609.939   284.823 7.9776  298.909 7.6183  -14.08600      11.03092 
1 1 1 0   5   21 f 153.053 3.2343  3150.70   132.476   3302.42   187.367   2999.03   187.331   156.754 4.4626  149.353 4.6828  7.400574       6.468633 
1 1 1 0   5   22 o 78.057  2.1084  817.557   44.069    837.252   62.189    797.692   62.457    79.004  2.9389  77.111  3.0240  1.892708       4.216775 
1 1 1 0   5   23 o 105.317 2.4747  1489.59   69.776    1537.68   98.522    1441.19   98.835    107.028 3.4368  103.607 3.5615  3.421272       4.949308 
1 1 1 0   5   24 o 42.006  1.8910  237.616   21.087    212.070   29.403    264.671   30.259    39.662  2.7854  44.350  2.5581  -4.687477      3.781901 
1 1 1 0   5   25 o 38.447  1.9211  199.325   19.649    192.817   27.663    205.952   27.915    37.807  2.7506  39.087  2.6826  -1.279716      3.842183 
1 1 1 0   5   26 o 71.770  2.0778  691.854   39.940    693.868   56.196    689.797   56.774    71.877  2.9190  71.663  2.9578  0.2138596      4.155591 
1 1 1 0   5   27 o 28.470  2.1788  110.270   16.347    112.412   23.103    108.123   23.132    28.755  3.0460  28.185  3.1162  0.5701904      4.357613 
1 1 1 0   5   28 o 87.468  2.2524  1030.41   52.768    1030.68   74.396    1030.15   74.858    87.481  3.1750  87.455  3.1957  0.2570343E-01  4.504799 
1 1 1 0   5   29 o 104.358 2.4870  1471.75   69.515    1483.78   98.161    1459.64   98.458    104.791 3.4972  103.924 3.5371  0.8666763      4.974087 
1 1 1 0   5   30 o 78.404  2.1705  830.665   45.575    840.717   64.279    820.503   64.629    78.887  3.0421  77.921  3.0966  0.9663773      4.340912 
1 1 1 0   5   31 o 74.977  2.1532  761.010   43.240    752.108   60.939    770.036   61.365    74.533  3.0525  75.420  3.0377  -0.8870621     4.306440 
1 1 1 0   5   32 o 54.628  1.9987  405.241   29.138    413.749   41.058    396.607   41.358    55.218  2.7850  54.038  2.8677  1.180180       3.997449 
1 1 1 0   5   33 o 29.119  2.1288  116.734   16.206    99.162    22.706    134.979   23.137    26.804  3.2276  31.434  2.7765  -4.630661      4.257540 
1 1 1 0   5   34 o 18.118  2.6366  48.518    12.631    72.829    17.774    23.716    17.952    22.948  2.9607  13.288  4.3635  9.660149       5.273147 
1 1 1 0   5   35 o 22.280  2.4354  70.406    13.852    84.441    19.607    56.420    19.572    24.674  3.0305  19.886  3.8133  4.788349       4.870841 
1 1 1 0   5   36 o 9.3267  2.5700  6.5241    9.6193    13.696    13.666    -0.5178   13.542    10.607  3.7958  8.0461  3.4658  2.561120       5.140001 
1 1 1 0   5   37 o 10.068  2.4923  2.9818    10.411    27.724    15.504    -17.3354  14.049    13.824  3.9749  6.3122  3.0077  7.511833       4.984573 
1 1 1 0   5   38 o 34.208  2.1756  164.406   19.571    141.680   27.319    188.369   28.052    31.660  3.2686  36.756  2.8722  -5.095850      4.351192 
1 1 1 0   5   39 o 11.164  2.8662  14.924    11.390    7.7271    15.859    22.593    16.370    9.7490  3.9349  12.578  4.1685  -2.829180      5.732371 
1 1 1 0   5   40 o 24.815  2.4957  89.756    16.048    98.913    22.818    80.792    22.576    26.196  3.3271  23.435  3.7209  2.760340       4.991437 
1 1 1 0   5   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   5   42 o 10.288  2.8905  10.981    11.917    12.301    16.819    9.6509    16.889    10.495  4.1119  10.081  4.0637  0.4138241      5.781095 
1 1 1 0   5   43 o 15.916  3.2116  40.804    15.061    25.682    20.772    57.567    21.870    12.951  4.6745  18.880  4.4052  -5.929618      6.423168 
1 1 1 0   6   0  o 475.307 8.7329  30430.86  1111.79   30371.14  1572.08   30490.61  1572.54   474.839 12.361  475.776 12.340  -0.9376221     17.46588 
1 1 1 0   6   1  o 251.183 4.7708  8463.91   320.964   8538.85   453.940   8388.99   453.883   252.297 6.7173  250.069 6.7763  2.227432       9.541563 
1 1 1 0   6   2  o 109.586 2.4504  1609.32   71.899    1661.65   101.760   1557.16   101.601   111.366 3.4114  107.806 3.5186  3.559586       4.900826 
1 1 1 0   6   3  o 95.640  2.2345  1225.54   57.230    1255.85   81.041    1195.38   80.830    96.821  3.1250  94.460  3.1947  2.360512       4.468998 
1 1 1 0   6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   6   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   6   6  o 687.460 12.618  63914.13  2323.30   63115.16  3284.98   64713.74  3286.30   683.121 17.953  691.800 17.735  -8.678894      25.23616 
1 1 1 0   6   7  o 509.902 9.3783  35003.85  1280.80   34616.13  1811.01   35391.84  1811.65   507.063 13.334  512.742 13.191  -5.678711      18.75668 
1 1 1 0   6   8  o 416.691 7.7217  23340.34  861.404   24194.87  1218.84   22487.57  1217.58   424.339 10.724  409.043 11.113  15.29553       15.44347 
1 1 1 0   6   9  o 418.336 7.7229  23517.61  865.261   23103.76  1223.28   23931.99  1224.05   414.641 11.015  422.031 10.828  -7.390686      15.44584 
1 1 1 0   6   10 o 226.273 4.3601  6864.61   264.231   6961.77   373.708   6767.47   373.650   227.876 6.1227  224.670 6.2091  3.205978       8.720165 
1 1 1 0   6   11 o 26.061  1.9244  92.511    13.043    110.074   18.606    75.545    18.288    28.561  2.4561  23.562  2.9633  4.999044       3.848876 
1 1 1 0   6   12 o 375.633 6.9342  18959.66  697.649   18816.40  986.405   19103.04  986.845   374.208 9.8413  377.057 9.7713  -2.848419      13.86831 
1 1 1 0   6   13 o 564.640 10.407  43088.41  1573.87   43470.64  2225.99   42706.31  2225.59   567.166 14.653  562.113 14.782  5.052917       20.81384 
1 1 1 0   6   14 o 143.518 3.0150  2761.47   115.888   2711.37   163.732   2811.77   164.050   142.213 4.2984  144.824 4.2291  -2.611389      6.030030 
1 1 1 0   6   15 o 485.710 8.9775  31987.41  1167.82   32506.19  1651.83   31468.99  1651.27   489.695 12.594  481.724 12.798  7.970490       17.95491 
1 1 1 0   6   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   6   17 o 256.634 4.8740  8880.40   334.571   9423.55   473.438   8338.56   472.872   264.525 6.6820  248.743 7.0975  15.78233       9.747988 
1 1 1 0   6   18 o 199.556 3.9814  5358.44   212.768   5477.85   300.842   5238.94   300.957   201.791 5.5661  197.321 5.6943  4.470108       7.962819 
1 1 1 0   6   19 o 257.118 4.9524  8924.13   341.032   8769.83   481.964   9078.86   482.621   254.876 7.0599  259.361 6.9473  -4.484589      9.904850 
1 1 1 0   6   20 o 162.742 3.3469  3563.98   145.689   3782.25   206.119   3346.07   205.953   167.745 4.5875  157.739 4.8746  10.00572       6.693823 
1 1 1 0   6   21 o 62.624  2.0171  526.268   33.816    543.301   47.658    508.997   47.990    63.647  2.7955  61.601  2.9085  2.045780       4.034184 
1 1 1 0   6   22 o 57.043  1.9635  436.754   29.924    413.416   41.847    461.175   42.806    55.446  2.8272  58.640  2.7254  -3.194183      3.926909 
1 1 1 0   6   23 o 126.095 2.7389  2136.22   92.499    2100.15   130.557   2172.57   131.070   125.024 3.8987  127.167 3.8481  -2.142532      5.477883 
1 1 1 0   6   24 o 64.578  1.9908  559.623   34.433    564.409   48.688    554.834   48.704    64.855  2.8028  64.301  2.8279  0.5535583      3.981535 
1 1 1 0   6   25 f 76.343  2.1517  784.497   43.869    851.305   61.923    717.182   62.157    79.623  2.9035  73.063  3.1762  6.559937       4.303315 
1 1 1 0   6   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   6   27 o 64.029  2.0170  551.706   34.568    572.678   48.740    530.480   49.034    65.261  2.7884  62.798  2.9152  2.462090       4.033996 
1 1 1 0   6   28 o 8.0798  2.3389  1.4790    8.4573    8.1585    11.618    -6.0499   12.335    9.1599  3.4611  6.9996  3.1469  2.160310       4.677824 
1 1 1 0   6   29 o 58.716  1.9786  464.888   31.116    464.605   43.801    465.176   44.211    58.700  2.7859  58.732  2.8104  -0.3251648E-01 3.957195 
1 1 1 0   6   30 o 78.348  2.1939  831.112   46.019    854.464   64.853    807.428   65.311    79.472  3.0467  77.224  3.1575  2.247215       4.387720 
1 1 1 0   6   31 o 32.147  2.0168  141.136   17.142    151.585   24.236    130.674   24.250    33.371  2.7355  30.922  2.9643  2.449280       4.033564 
1 1 1 0   6   32 f 35.973  2.0384  176.607   19.470    178.572   27.318    174.578   27.757    36.187  2.8413  35.759  2.9236  0.4280891      4.076793 
1 1 1 0   6   33 o 11.920  2.7127  19.105    9.8415    19.807    13.925    18.405    13.911    12.081  3.8327  11.759  3.8401  0.3225489      5.425487 
1 1 1 0   6   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   6   35 o 26.638  2.2857  99.104    15.929    91.902    22.552    106.274   22.503    25.613  3.3689  27.663  3.0899  -2.049524      4.571338 
1 1 1 0   6   36 o 35.117  2.1601  171.414   20.096    179.419   28.429    163.419   28.411    35.974  2.9772  34.260  3.1307  1.713577       4.320261 
1 1 1 0   6   37 o 34.778  2.1742  169.328   20.028    172.301   27.957    166.193   28.706    35.130  2.9999  34.427  3.1479  0.7026024      4.348377 
1 1 1 0   6   38 o 15.948  3.0092  38.371    13.114    40.741    18.221    35.824    18.890    16.475  4.1354  15.421  4.3724  1.054302       6.018304 
1 1 1 0   6   39 o 8.9778  2.6836  2.9959    11.063    2.4318    14.962    3.6764    16.432    8.7154  3.6952  9.2403  3.8925  -0.5248899     5.367105 
1 1 1 0   6   40 o 8.5296  2.5616  -2.9745   10.865    -14.8457  14.588    11.817    16.284    6.6159  3.1266  10.443  4.0585  -3.827477      5.123198 
1 1 1 0   6   41 o 16.963  2.9607  44.151    14.875    72.791    21.353    17.148    20.734    22.077  3.7450  11.850  4.5868  10.22619       5.921449 
1 1 1 0   6   42 o 15.419  3.2668  38.624    14.718    44.241    20.340    32.449    21.325    16.575  4.4764  14.264  4.7592  2.310838       6.533609 
1 1 1 0   7   0  o 184.161 3.6395  4546.46   179.516   4603.03   253.718   4489.74   254.029   185.309 5.1117  183.012 5.1822  2.296982       7.279050 
1 1 1 0   7   1  o 345.899 6.4171  16069.26  594.430   16426.80  840.885   15712.13  840.418   349.756 8.9760  342.043 9.1733  7.713318       12.83425 
1 1 1 0   7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   7   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   7   4  o 733.503 13.503  72876.58  2652.15   74835.30  3752.38   70921.37  3749.02   743.460 18.843  723.546 19.345  19.91418       27.00544 
1 1 1 0   7   5  o 293.493 5.5557  11557.40  436.738   11603.13  617.846   11511.73  617.436   294.074 7.8440  292.911 7.8699  1.162231       11.11135 
1 1 1 0   7   6  o 385.152 7.1475  19926.81  737.296   19640.85  1042.57   20212.90  1042.82   382.380 10.179  387.925 10.036  -5.544861      14.29497 
1 1 1 0   7   7  o 350.813 6.5254  16523.60  613.054   16880.85  867.312   16166.88  866.668   354.612 9.1313  347.014 9.3243  7.597595       13.05080 
1 1 1 0   7   8  o 232.183 4.4375  7227.70   275.963   7191.33   390.260   7264.08   390.282   231.598 6.2912  232.768 6.2599  -1.169800      8.874956 
1 1 1 0   7   9  o 216.439 4.1389  6279.98   239.946   6282.09   339.266   6277.87   339.404   216.475 5.8512  216.402 5.8555  0.7299805E-01  8.277884 
1 1 1 0   7   10 o 229.195 4.3962  7043.67   269.870   7104.35   381.617   6982.98   381.691   230.184 6.1896  228.207 6.2445  1.977020       8.792310 
1 1 1 0   7   11 o 293.101 5.5442  11530.77  435.220   11695.24  615.551   11366.35  615.438   295.195 7.7851  291.006 7.8957  4.189240       11.08832 
1 1 1 0   7   12 f 501.773 9.3515  33982.19  1256.39   32937.27  1775.87   35029.33  1777.75   493.992 13.422  509.554 13.025  -15.56201      18.70291 
1 1 1 0   7   13 o 244.855 4.6905  8050.63   307.565   8228.50   435.065   7872.94   434.860   247.566 6.5611  242.144 6.7048  5.421082       9.380948 
1 1 1 0   7   14 o 238.692 4.5595  7654.89   291.504   7687.25   412.191   7622.52   412.307   239.198 6.4336  238.186 6.4627  1.012619       9.119076 
1 1 1 0   7   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   7   16 o 217.338 4.2530  6357.83   247.373   6661.16   349.987   6055.02   349.690   222.544 5.8715  212.133 6.1544  10.41154       8.505943 
1 1 1 0   7   17 o 111.141 2.5290  1657.42   75.280    1678.30   106.351   1636.44   106.574   111.844 3.5501  110.438 3.6028  1.406715       5.058031 
1 1 1 0   7   18 o 113.834 2.5514  1739.30   77.759    1676.24   109.711   1802.94   110.226   111.757 3.6651  115.912 3.5503  -4.154251      5.102715 
1 1 1 0   7   19 o 185.645 3.7089  4637.39   184.426   4629.37   260.621   4645.44   261.014   185.484 5.2458  185.806 5.2446  -0.3217468     7.417885 
1 1 1 0   7   20 o 74.295  2.0922  740.797   41.605    771.075   58.754    710.346   58.923    75.821  2.8931  72.769  3.0231  3.052071       4.184361 
1 1 1 0   7   21 o 52.488  1.9325  370.401   27.072    364.976   37.932    376.032   38.648    52.096  2.7278  52.880  2.7380  -0.7843933     3.864959 
1 1 1 0   7   22 o 133.367 2.8509  2390.26   101.814   2319.84   143.594   2461.47   144.384   131.386 4.0803  135.349 3.9827  -3.962357      5.701849 
1 1 1 0   7   23 o 88.633  2.2371  1054.58   53.106    1039.47   74.836    1069.92   75.374    87.993  3.1752  89.274  3.1521  -1.281067      4.474144 
1 1 1 0   7   24 o 99.615  2.4323  1333.66   64.898    1331.13   91.643    1336.21   91.918    99.521  3.4379  99.710  3.4417  -0.1890640     4.864629 
1 1 1 0   7   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   7   26 o 83.759  2.2493  944.500   50.441    976.472   71.317    912.498   71.351    85.185  3.1257  82.333  3.2355  2.851822       4.498663 
1 1 1 0   7   27 o 80.891  2.1849  881.586   47.329    857.894   66.633    905.709   67.238    79.789  3.1179  81.992  3.0616  -2.202400      4.369739 
1 1 1 0   7   28 o 30.897  2.0105  130.422   16.338    144.788   22.917    115.575   23.298    32.681  2.6406  29.112  3.0323  3.569338       4.020915 
1 1 1 0   7   29 o 31.513  1.9801  135.570   16.456    149.122   23.174    121.788   23.371    33.148  2.6318  29.878  2.9592  3.269762       3.960237 
1 1 1 0   7   30 o 57.994  2.0402  456.790   31.536    491.487   44.349    421.300   44.853    60.296  2.7461  55.692  3.0181  4.603893       4.080402 
1 1 1 0   7   31 o 37.362  1.9760  190.081   19.624    190.408   27.415    189.737   28.103    37.403  2.7559  37.320  2.8326  0.8303452E-01  3.952015 
1 1 1 0   7   32 o 45.810  2.0053  286.744   24.385    313.633   34.364    259.471   34.608    48.029  2.6820  43.592  2.9819  4.436886       4.010564 
1 1 1 0   7   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   7   34 o 21.946  2.5018  69.198    13.930    83.718    19.415    53.794    19.997    24.555  3.0152  19.337  3.9932  5.218033       5.003690 
1 1 1 0   7   35 o 45.704  2.0981  288.346   25.545    288.401   36.014    288.290   36.241    45.713  2.9571  45.695  2.9773  0.1820374E-01  4.196262 
1 1 1 0   7   36 o 22.199  2.6117  71.052    14.872    59.318    20.778    83.378    21.295    20.154  3.9902  24.243  3.3707  -4.089207      5.223360 
1 1 1 0   7   37 o 13.082  3.0181  24.471    12.160    25.425    17.164    23.509    17.230    13.276  4.2597  12.888  4.2768  0.3879089      6.036273 
1 1 1 0   7   38 o 18.876  2.8663  53.441    14.070    48.480    19.900    58.400    19.895    17.904  4.2187  19.848  3.8815  -1.943052      5.732681 
1 1 1 0   7   39 o 9.9879  2.8447  8.1098    11.822    3.3952    16.565    13.003    16.876    9.2145  3.8964  10.761  4.1456  -1.546932      5.689306 
1 1 1 0   7   40 o 21.944  3.2519  74.757    18.398    76.760    27.739    73.183    24.583    22.060  4.8285  21.829  4.3572  0.2311878      6.503846 
1 1 1 0   7   41 o 20.242  2.9890  63.793    15.666    64.136    21.619    63.414    22.734    20.381  4.1022  20.103  4.3484  0.2777538      5.978019 
1 1 1 0   8   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   8   1  o 283.215 5.3203  10762.59  403.516   11006.39  570.746   10518.95  570.568   286.428 7.4394  280.002 7.6078  6.425476       10.64063 
1 1 1 0   8   2  o 143.036 2.9434  2741.51   112.766   2765.48   159.516   2717.56   159.434   143.662 4.1455  142.411 4.1797  1.250809       5.886857 
1 1 1 0   8   3  o 565.144 10.368  43054.00  1569.23   43877.83  2219.95   42231.24  2218.51   570.581 14.526  559.706 14.798  10.87531       20.73607 
1 1 1 0   8   4  o 136.842 2.8268  2509.80   103.549   2616.45   146.663   2403.81   146.218   139.743 3.9183  133.941 4.0756  5.801254       5.653695 
1 1 1 0   8   5  o 620.897 11.454  52023.76  1904.47   50847.12  2692.64   53201.61  2694.02   613.820 16.378  627.975 16.017  -14.15515      22.90752 
1 1 1 0   8   6  o 222.496 4.2963  6636.69   256.041   6640.58   362.264   6632.80   361.929   222.561 6.0770  222.431 6.0749  0.1302948      8.592669 
1 1 1 0   8   7  o 353.065 6.5707  16735.65  621.334   16966.46  878.987   16505.13  878.410   355.504 9.2310  350.627 9.3533  4.877686       13.14135 
1 1 1 0   8   8  o 110.927 2.5022  1648.61   74.337    1625.21   105.170   1671.98   105.088   110.140 3.5650  111.714 3.5120  -1.573853      5.004343 
1 1 1 0   8   9  o 466.886 8.6581  29336.91  1082.57   28732.17  1530.56   29942.31  1531.41   462.048 12.367  471.724 12.120  -9.675598      17.31621 
1 1 1 0   8   10 o 300.444 5.6260  12117.48  452.735   12199.81  640.283   12035.17  640.244   301.467 7.9295  299.421 7.9832  2.045959       11.25197 
1 1 1 0   8   11 o 383.839 7.1626  19825.40  736.375   19646.52  1041.14   20004.45  1041.64   382.099 10.173  385.579 10.086  -3.480591      14.32528 
1 1 1 0   8   12 o 243.258 4.5989  7945.99   299.612   7798.45   423.474   8093.87   423.955   240.991 6.5605  245.524 6.4467  -4.533234      9.197829 
1 1 1 0   8   13 o 361.908 6.7687  17674.53  655.977   17216.55  927.197   18133.48  928.186   357.180 9.6916  366.636 9.4517  -9.456268      13.53743 
1 1 1 0   8   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   8   15 o 103.648 2.4178  1440.94   67.113    1409.12   94.774    1472.94   95.051    102.499 3.4521  104.797 3.3863  -2.298035      4.835650 
1 1 1 0   8   16 o 121.478 2.6863  1980.47   87.401    2002.24   123.525   1958.66   123.684   122.147 3.7755  120.808 3.8223  1.339775       5.372612 
1 1 1 0   8   17 o 272.165 5.2115  10008.97  379.676   9593.60   536.417   10425.97  537.470   266.458 7.5160  277.872 7.2214  -11.41364      10.42297 
1 1 1 0   8   18 o 146.274 3.1126  2874.90   121.948   2861.75   172.300   2888.10   172.621   145.938 4.4079  146.609 4.3959  -0.6716766     6.225175 
1 1 1 0   8   19 o 129.743 2.8683  2261.17   99.670    2284.54   140.729   2237.65   141.182   130.418 4.0286  129.067 4.0839  1.350723       5.736537 
1 1 1 0   8   20 o 152.490 3.1891  3126.49   130.232   3192.22   184.029   3060.55   184.324   154.103 4.4585  150.878 4.5611  3.224487       6.378205 
1 1 1 0   8   21 f 27.475  2.0612  102.325   14.929    98.431    20.801    106.461   21.441    26.928  2.9313  28.021  2.8985  -1.093084      4.122372 
1 1 1 0   8   22 o 172.607 3.5688  4018.46   164.643   3704.07   232.199   4336.34   233.486   165.772 5.2295  179.443 4.8579  -13.67021      7.137686 
1 1 1 0   8   23 o 77.756  2.1558  812.002   44.893    820.873   63.211    802.974   63.769    78.187  3.0183  77.326  3.0789  0.8612976      4.311624 
1 1 1 0   8   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   8   25 o 59.757  1.9869  480.001   31.800    479.658   44.751    480.351   45.196    59.736  2.7969  59.777  2.8227  -0.4110718E-01 3.973760 
1 1 1 0   8   26 o 115.240 2.6486  1793.75   81.754    1789.55   115.346   1797.99   115.891   115.105 3.7413  115.374 3.7502  -0.2689667     5.297253 
1 1 1 0   8   27 o 24.126  2.1134  79.677    13.363    80.791    18.904    78.565    18.893    24.300  2.9659  23.951  3.0116  0.3498955      4.226823 
1 1 1 0   8   28 o 36.988  1.9688  185.927   19.330    194.419   27.073    177.097   27.608    37.872  2.6863  36.104  2.8789  1.768547       3.937531 
1 1 1 0   8   29 o 54.849  1.9793  407.452   29.008    419.132   40.799    395.512   41.251    55.693  2.7350  54.005  2.8619  1.688175       3.958662 
1 1 1 0   8   30 o 91.725  2.3987  1144.77   58.930    1141.66   82.997    1147.93   83.688    91.604  3.3827  91.847  3.4018  -0.2433167     4.797357 
1 1 1 0   8   31 o 15.397  2.5248  33.296    11.001    13.495    15.237    54.854    15.899    10.932  3.9946  19.862  3.0890  -8.930181      5.049633 
1 1 1 0   8   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   8   33 o 24.601  2.3011  84.275    14.779    80.474    20.485    88.402    21.344    24.010  3.2704  25.193  3.2380  -1.183174      4.602173 
1 1 1 0   8   34 o 17.056  2.8108  42.117    12.747    31.579    17.672    53.547    18.405    14.781  4.2419  19.332  3.6891  -4.550586      5.621677 
1 1 1 0   8   35 o 33.952  2.1592  160.711   19.357    176.140   27.554    145.677   27.199    35.632  2.9124  32.271  3.1884  3.360786       4.318343 
1 1 1 0   8   36 o 5.6930  1.9309  -16.6090  8.5186    -13.5585  11.762    -19.9748  12.354    5.8634  2.7817  5.5226  2.6788  0.3407521      3.861815 
1 1 1 0   8   37 o 14.236  2.9394  29.975    12.171    22.056    17.126    38.056    17.300    12.542  4.2646  15.931  4.0465  -3.388700      5.878876 
1 1 1 0   8   38 o 12.778  2.9751  22.914    12.286    32.266    17.320    13.444    17.430    14.614  4.2010  10.942  4.2137  3.672517       5.950138 
1 1 1 0   8   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   8   40 o 23.348  2.7467  82.412    16.505    88.458    22.942    75.927    23.762    24.422  3.6165  22.274  4.1350  2.148026       5.493373 
1 1 1 0   8   41 o 17.666  3.1521  50.743    14.944    54.288    20.636    46.835    21.668    18.456  4.2608  16.876  4.6464  1.579948       6.304249 
1 1 1 0   9   0  o 121.992 2.6495  1994.12   86.563    2021.02   122.186   1967.02   122.654   122.819 3.7142  121.166 3.7793  1.652855       5.298925 
1 1 1 0   9   1  f 693.205 12.760  64989.02  2368.68   63354.08  3348.40   66626.73  3351.24   684.394 18.266  702.015 17.823  -17.62006      25.52038 
1 1 1 0   9   2  o 335.905 6.3061  15146.06  567.361   15217.84  802.445   15074.30  802.294   336.703 8.8977  335.107 8.9384  1.595367       12.61211 
1 1 1 0   9   3  o 452.452 8.3472  27532.28  1011.16   28480.63  1430.83   26586.15  1429.16   460.267 11.606  444.637 12.000  15.63034       16.69448 
1 1 1 0   9   4  o 552.109 10.122  41060.13  1496.68   40388.39  2116.22   41732.36  2117.01   547.566 14.429  556.653 14.199  -9.086853      20.24353 
1 1 1 0   9   5  o 375.092 6.9827  18895.13  701.472   18595.78  991.983   19194.53  992.079   372.112 9.9527  378.072 9.7968  -5.959534      13.96541 
1 1 1 0   9   6  o 320.846 5.9151  13814.46  508.323   13913.86  719.114   13715.20  718.639   322.002 8.3378  319.690 8.3925  2.311340       11.83017 
1 1 1 0   9   7  o 256.194 4.8546  8803.20   333.114   8714.07   471.146   8892.29   471.043   254.896 6.9009  257.493 6.8298  -2.597305      9.709167 
1 1 1 0   9   8  o 274.759 5.2402  10130.95  385.548   9868.01   545.123   10394.13  545.370   271.185 7.5048  278.333 7.3154  -7.148773      10.48033 
1 1 1 0   9   9  o 206.458 4.0708  5717.21   225.050   5559.74   318.221   5874.77   318.316   203.610 5.8350  209.306 5.6779  -5.696686      8.141606 
1 1 1 0   9   10 o 404.049 7.4942  21996.57  810.664   22799.47  1147.14   21195.57  1145.77   411.457 10.409  396.640 10.785  14.81744       14.98850 
1 1 1 0   9   11 o 57.240  1.8464  439.565   28.240    476.350   40.039    403.150   39.836    59.627  2.5070  54.853  2.7114  4.774376       3.692800 
1 1 1 0   9   12 o 427.618 7.9280  24758.81  907.995   24452.52  1283.72   25065.45  1284.47   424.944 11.278  430.293 11.145  -5.348602      15.85594 
1 1 1 0   9   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   9   14 o 71.164  1.9715  678.922   37.578    681.691   53.039    676.131   53.250    71.310  2.7769  71.018  2.7994  0.2919846      3.943046 
1 1 1 0   9   15 o 49.628  1.7855  330.681   23.676    316.797   33.389    344.722   33.577    48.545  2.5771  50.712  2.4719  -2.167519      3.570951 
1 1 1 0   9   16 o 306.568 5.8187  12721.98  477.797   12703.22  675.531   12740.76  675.883   306.340 8.2329  306.796 8.2250  -0.4555054     11.63745 
1 1 1 0   9   17 o 199.978 3.9855  5384.84   213.475   5421.92   301.796   5347.70   302.002   200.671 5.6149  199.285 5.6578  1.386368       7.971012 
1 1 1 0   9   18 o 142.788 3.0067  2739.52   114.969   2667.85   162.301   2811.70   162.883   140.908 4.3003  144.668 4.2035  -3.759705      6.013492 
1 1 1 0   9   19 o 114.320 2.6158  1754.92   80.085    1783.85   113.097   1725.81   113.418   115.268 3.6631  113.372 3.7350  1.896271       5.231509 
1 1 1 0   9   20 o 145.187 3.0586  2833.76   118.934   2788.90   167.876   2878.97   168.521   144.030 4.3516  146.344 4.2992  -2.313995      6.117136 
1 1 1 0   9   21 o 32.526  1.9379  142.913   16.717    136.950   23.477    149.045   23.808    31.828  2.7818  33.223  2.6988  -1.394468      3.875815 
1 1 1 0   9   22 o 59.339  1.9789  472.545   31.443    456.781   44.183    488.723   44.758    58.335  2.8277  60.343  2.7692  -2.007999      3.957834 
1 1 1 0   9   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   9   24 o 76.144  2.1638  779.977   44.122    793.609   62.210    766.180   62.586    76.818  3.0235  75.471  3.0961  1.346855       4.327502 
1 1 1 0   9   25 o 53.956  1.9514  392.577   28.067    358.118   39.459    427.863   39.930    51.506  2.8716  56.406  2.6429  -4.899757      3.902715 
1 1 1 0   9   26 o 45.553  1.9133  280.436   23.238    277.084   32.858    283.791   32.868    45.277  2.7220  45.829  2.6894  -0.5515060     3.826526 
1 1 1 0   9   27 o 31.506  1.9975  135.269   16.606    121.537   23.404    149.191   23.566    29.855  2.9660  33.157  2.6763  -3.301508      3.995000 
1 1 1 0   9   28 o 66.683  2.0963  602.008   37.413    626.322   52.732    577.364   53.089    68.056  2.8928  65.310  3.0348  2.745659       4.192684 
1 1 1 0   9   29 o 38.572  1.9551  202.208   20.050    191.716   28.048    213.173   28.671    37.534  2.8103  39.609  2.7190  -2.074802      3.910296 
1 1 1 0   9   30 o 40.332  1.9810  221.408   21.257    217.521   29.521    225.592   30.635    39.969  2.7747  40.694  2.8281  -0.7253075     3.962008 
1 1 1 0   9   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   9   32 o 16.659  2.6264  40.106    11.841    21.557    16.542    59.596    16.957    12.676  4.1899  20.642  3.1682  -7.965544      5.252882 
1 1 1 0   9   33 o 19.205  2.6315  52.954    13.019    42.734    18.165    63.749    18.668    17.163  4.0217  21.246  3.3947  -4.082775      5.262914 
1 1 1 0   9   34 o 36.527  2.1699  186.076   20.924    204.498   29.442    167.276   29.742    38.450  2.8797  34.603  3.2469  3.846630       4.339897 
1 1 1 0   9   35 o 34.286  2.1463  164.495   19.495    168.596   27.392    160.286   27.751    34.752  2.9713  33.820  3.0980  0.9323311      4.292565 
1 1 1 0   9   36 f 9.6294  2.7475  7.3456    10.925    8.2445    14.956    6.3169    15.999    9.6749  3.8499  9.5839  3.9210  0.9094810E-01  5.495067 
1 1 1 0   9   37 o 10.588  2.8291  10.724    11.516    21.804    16.923    1.1680    15.716    12.442  4.2393  8.7346  3.7474  3.707284       5.658147 
1 1 1 0   9   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   9   39 o 18.084  2.9425  51.031    14.566    73.699    20.758    29.040    20.445    22.319  3.5943  13.849  4.6598  8.470061       5.884971 
1 1 1 0   9   40 o 15.288  3.1672  37.041    14.092    27.585    19.452    47.486    20.443    13.355  4.5451  17.221  4.4121  -3.866189      6.334359 
1 1 1 0   10  0  o 389.543 7.1968  20384.52  750.798   19976.29  1061.14   20793.75  1062.44   385.626 10.273  393.459 10.081  -7.833252      14.39362 
1 1 1 0   10  1  o 554.761 10.169  41458.31  1510.99   41440.96  2136.70   41475.66  2137.03   554.644 14.383  554.877 14.379  -0.2330322     20.33749 
1 1 1 0   10  2  o 35.465  1.7015  169.263   16.064    172.946   22.742    165.595   22.695    35.854  2.3817  35.077  2.4306  0.7771149      3.402954 
1 1 1 0   10  3  o 145.127 3.0034  2822.19   116.742   2853.03   165.185   2791.41   165.012   145.920 4.2264  144.335 4.2683  1.585190       6.006715 
1 1 1 0   10  4  o 313.892 5.8915  13226.76  495.013   13788.10  700.681   12667.43  699.428   320.556 8.1607  307.228 8.4995  13.32819       11.78298 
1 1 1 0   10  5  o 335.922 6.3192  15150.38  568.506   15438.69  804.428   14862.71  803.551   339.122 8.8561  332.721 9.0166  6.400604       12.63843 
1 1 1 0   10  6  o 371.241 6.9270  18516.66  688.789   18588.45  974.391   18444.96  973.798   371.962 9.7802  370.520 9.8122  1.442261       13.85393 
1 1 1 0   10  7  o 342.927 6.4486  15799.67  592.301   15648.59  837.713   15950.70  837.568   341.283 9.1641  344.572 9.0751  -3.289307      12.89724 
1 1 1 0   10  8  o 195.260 3.8434  5113.58   200.977   5008.34   284.264   5218.77   284.185   193.248 5.4918  197.272 5.3783  -4.023712      7.686790 
1 1 1 0   10  9  o 147.643 3.0402  2922.60   120.225   2900.85   170.130   2944.30   169.918   147.094 4.3182  148.193 4.2808  -1.098801      6.080417 
1 1 1 0   10  10 o 108.890 2.4910  1590.05   72.610    1528.41   102.715   1651.62   102.658   106.777 3.5914  111.002 3.4528  -4.224327      4.982004 
1 1 1 0   10  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   10  12 o 92.266  2.2527  1141.46   55.670    1150.55   78.723    1132.36   78.736    92.634  3.1728  91.898  3.1987  0.7360764      4.505368 
1 1 1 0   10  13 o 48.735  1.7873  319.214   23.251    318.960   32.903    319.469   32.861    48.716  2.5303  48.755  2.5250  -0.3934479E-01 3.574698 
1 1 1 0   10  14 o 70.884  1.9936  673.700   37.851    673.450   53.482    673.951   53.577    70.871  2.8174  70.897  2.8214  -0.2624512E-01 3.987203 
1 1 1 0   10  15 o 133.015 2.8643  2375.75   102.047   2380.83   144.212   2370.65   144.420   133.158 4.0434  132.871 4.0580  0.2864075      5.728530 
1 1 1 0   10  16 o 212.133 4.1773  6062.84   237.335   6144.76   335.550   5980.83   335.735   213.576 5.8656  210.691 5.9493  2.885651       8.354597 
1 1 1 0   10  17 o 192.195 3.8372  4972.92   197.536   4964.50   279.149   4981.36   279.568   192.032 5.4272  192.358 5.4261  -0.3260193     7.674421 
1 1 1 0   10  18 o 54.342  1.9311  396.934   28.027    414.158   39.447    379.376   39.827    55.574  2.6501  53.111  2.8096  2.463032       3.862241 
1 1 1 0   10  19 o 85.996  2.2390  992.407   51.571    980.616   72.735    1004.33   73.133    85.482  3.1767  86.511  3.1561  -1.028519      4.478019 
1 1 1 0   10  20 o 127.467 2.8205  2184.20   96.277    2128.40   135.843   2240.52   136.470   125.826 4.0307  129.107 3.9464  -3.281868      5.640956 
1 1 1 0   10  21 o 57.059  1.9521  436.924   29.828    424.501   41.945    449.634   42.425    56.237  2.7846  57.880  2.7365  -1.643047      3.904179 
1 1 1 0   10  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   10  23 o 19.605  2.5168  54.823    12.503    73.428    17.615    35.934    17.749    23.192  2.8989  16.017  4.1151  7.175377       5.033635 
1 1 1 0   10  24 o 31.560  1.9768  135.171   16.471    121.014   23.085    149.850   23.507    29.844  2.9254  33.276  2.6596  -3.431990      3.953697 
1 1 1 0   10  25 o 70.258  2.0868  665.408   39.270    666.172   55.390    664.635   55.683    70.300  2.9416  70.216  2.9607  0.8411407E-01  4.173632 
1 1 1 0   10  26 o 14.462  2.5534  29.386    10.045    37.882    14.331    21.182    14.083    16.438  3.3682  12.487  3.8385  3.950737       5.106749 
1 1 1 0   10  27 o 28.296  2.0558  109.910   15.180    128.083   21.588    92.136    21.350    30.691  2.6522  25.901  3.1418  4.790318       4.111564 
1 1 1 0   10  28 o 30.030  2.0725  123.403   16.418    132.580   23.251    114.279   23.185    31.179  2.8146  28.882  3.0428  2.296543       4.144902 
1 1 1 0   10  29 o 69.399  2.1438  654.424   39.822    678.516   56.117    629.984   56.521    70.708  2.9630  68.090  3.0991  2.617859       4.287621 
1 1 1 0   10  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   10  31 o 7.9093  2.3436  0.3327    8.6916    6.6389    11.931    -6.7988   12.688    8.8467  3.4640  6.9720  3.1576  1.874753       4.687177 
1 1 1 0   10  32 o 24.032  2.3569  81.025    14.736    82.049    20.351    79.896    21.366    24.230  3.2151  23.833  3.4472  0.3978291      4.713841 
1 1 1 0   10  33 f 20.169  2.7271  60.961    14.124    91.147    20.086    31.436    19.865    25.567  2.9896  14.771  4.5619  10.79609       5.454286 
1 1 1 0   10  34 o 47.751  2.1611  319.187   27.275    360.079   38.397    277.536   38.751    51.000  2.8218  44.501  3.2740  6.498253       4.322268 
1 1 1 0   10  35 o 8.1695  2.4934  -1.0117   10.177    4.6010    13.929    -7.4374   14.904    8.8462  3.6434  7.4929  3.4048  1.353349       4.986704 
1 1 1 0   10  36 o 13.309  2.8184  24.293    11.874    9.2363    16.421    40.792    17.189    10.104  4.0299  16.513  3.9411  -6.408289      5.636702 
1 1 1 0   10  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   10  38 o 37.712  2.2669  203.817   22.642    189.508   31.677    218.764   32.375    36.282  3.2956  39.142  3.1138  -2.859814      4.533892 
1 1 1 0   10  39 o 11.027  2.9581  15.100    12.192    19.885    17.093    10.145    17.395    11.840  4.2442  10.214  4.1216  1.626756       5.916157 
1 1 1 0   11  0  o 374.926 6.9622  18877.79  699.161   18955.32  988.470   18800.17  989.058   375.699 9.8228  374.154 9.8692  1.545532       13.92438 
1 1 1 0   11  1  o 263.727 5.0078  9329.21   353.686   9524.71   500.142   9133.64   500.234   266.495 7.0067  260.959 7.1567  5.536255       10.01562 
1 1 1 0   11  2  o 447.659 8.2323  26946.36  987.096   26966.63  1395.88   26926.09  1396.05   447.828 11.637  447.490 11.647  0.3383179      16.46469 
1 1 1 0   11  3  o 338.554 6.2733  15388.18  568.859   15286.70  804.424   15489.69  804.552   337.435 8.9003  339.673 8.8431  -2.238403      12.54656 
1 1 1 0   11  4  o 333.937 6.2009  14974.04  554.588   15211.83  784.636   14736.66  783.975   336.593 8.7031  331.281 8.8352  5.311768       12.40180 
1 1 1 0   11  5  o 325.017 6.1588  14188.02  536.149   14283.80  758.524   14092.38  757.934   326.116 8.6838  323.918 8.7359  2.198090       12.31763 
1 1 1 0   11  6  f 297.512 5.6086  11887.48  446.931   11990.87  632.397   11784.31  631.716   298.808 7.9015  296.216 7.9620  2.591278       11.21728 
1 1 1 0   11  7  o 221.490 4.2866  6583.45   254.304   6624.97   359.909   6542.05   359.373   222.189 6.0476  220.792 6.0768  1.397141       8.573241 
1 1 1 0   11  8  o 238.627 4.5568  7648.01   291.248   7651.05   412.060   7644.98   411.715   238.674 6.4456  238.579 6.4428  0.9434509E-01  9.113503 
1 1 1 0   11  9  o 193.321 3.8207  5019.24   197.755   4853.04   279.659   5185.46   279.678   190.111 5.4920  196.531 5.3130  -6.419876      7.641335 
1 1 1 0   11  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   11  11 f 399.750 7.5055  21700.25  803.575   21414.38  1136.30   21986.25  1136.55   397.080 10.684  402.420 10.544  -5.339752      15.01093 
1 1 1 0   11  12 o 79.035  2.0965  837.585   44.381    838.019   62.854    837.153   62.675    79.055  2.9683  79.015  2.9614  0.4064178E-01  4.192966 
1 1 1 0   11  13 o 123.151 2.7110  2035.66   89.423    2030.65   126.444   2040.67   126.483   123.000 3.8380  123.303 3.8297  -0.3034515     5.421914 
1 1 1 0   11  14 o 162.713 3.3243  3558.66   144.870   3612.58   204.889   3504.75   204.865   163.950 4.6657  161.476 4.7366  2.474106       6.648656 
1 1 1 0   11  15 o 161.569 3.3117  3509.35   143.301   3446.27   202.484   3572.64   202.832   160.109 4.7215  163.028 4.6450  -2.918854      6.623371 
1 1 1 0   11  16 o 40.400  1.9101  219.957   20.536    211.175   29.081    228.692   29.003    39.587  2.7599  41.213  2.6412  -1.626911      3.820110 
1 1 1 0   11  17 o 121.078 2.7100  1968.71   87.887    1974.43   124.158   1962.97   124.425   121.255 3.8228  120.901 3.8423  0.3542709      5.420071 
1 1 1 0   11  18 f 39.197  1.8736  207.001   19.554    208.214   27.612    205.780   27.696    39.313  2.6375  39.080  2.6618  0.2335968      3.747197 
1 1 1 0   11  19 f 150.516 3.1885  3049.63   128.503   3138.19   181.581   2960.78   181.880   152.717 4.4391  148.316 4.5784  4.401566       6.377046 
1 1 1 0   11  20 o 129.049 2.8388  2240.87   98.125    2235.42   138.465   2246.37   139.076   128.892 4.0108  129.206 4.0186  -0.3142853     5.677635 
1 1 1 0   11  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   11  22 o 72.240  2.0952  701.715   40.519    671.369   56.977    732.765   57.634    70.655  3.0107  73.824  2.9147  -3.169701      4.190449 
1 1 1 0   11  23 o 75.717  2.1549  774.200   43.527    851.645   61.452    696.223   61.662    79.549  2.8841  71.885  3.2025  7.664948       4.309778 
1 1 1 0   11  24 f 64.562  2.0467  562.080   35.369    582.893   49.848    540.978   50.191    65.775  2.8294  63.348  2.9580  2.426647       4.093347 
1 1 1 0   11  25 o 59.856  2.0001  483.311   32.062    472.386   45.009    494.565   45.683    59.168  2.8401  60.544  2.8170  -1.376747      4.000207 
1 1 1 0   11  26 o 26.891  2.0615  99.089    14.555    107.810   20.572    90.348    20.597    28.119  2.7673  25.663  3.0565  2.456215       4.123087 
1 1 1 0   11  27 o 51.718  1.9972  362.952   27.512    335.436   38.535    391.558   39.292    49.693  2.9079  53.743  2.7386  -4.050297      3.994484 
1 1 1 0   11  28 o 59.296  2.0395  476.711   32.391    470.653   45.654    482.852   45.964    58.914  2.8931  59.678  2.8755  -0.7631378     4.079053 
1 1 1 0   11  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   11  30 o 62.053  2.1170  525.713   35.169    539.016   49.419    512.064   50.059    62.872  2.9346  61.235  3.0521  1.636703       4.234032 
1 1 1 0   11  31 o 9.3437  2.3939  0.8732    9.6631    -18.4063  13.268    22.652    14.102    5.9953  2.8745  12.692  3.8288  -6.696796      4.787751 
1 1 1 0   11  32 o 10.637  2.7917  12.288    10.774    17.516    15.315    7.1658    15.160    11.620  4.0300  9.6528  3.8644  1.967608       5.583405 
1 1 1 0   11  33 o 25.185  2.3321  89.866    15.302    96.602    21.569    83.039    21.714    26.213  3.1341  24.156  3.4544  2.057768       4.664253 
1 1 1 0   11  34 o 31.174  2.2365  137.169   18.399    140.736   25.780    133.465   26.268    31.630  3.0822  30.718  3.2416  0.9119301      4.472990 
1 1 1 0   11  35 o 13.859  2.9596  28.049    12.222    36.734    17.467    19.718    17.107    15.636  4.1148  12.083  4.2550  3.553514       5.919217 
1 1 1 0   11  36 o 7.5658  2.4131  -5.7937   10.293    -4.8811   15.395    -6.5315   13.842    7.8846  3.5323  7.2470  3.2885  0.6376753      4.826123 
1 1 1 0   11  37 o 27.585  2.6313  112.414   18.694    129.982   26.427    94.819    26.447    30.010  3.3445  25.159  4.0630  4.850718       5.262508 
1 1 1 0   11  38 o 11.790  2.9374  17.666    12.549    31.051    17.603    3.8327    17.895    14.137  4.2807  9.4425  4.0235  4.694225       5.874830 
1 1 1 0   12  0  o 165.566 3.3506  3675.52   148.491   3824.83   209.833   3525.73   210.165   168.939 4.6372  162.194 4.8377  6.744797       6.701241 
1 1 1 0   12  1  o 181.061 3.6265  4394.30   175.870   4368.09   248.476   4420.60   248.962   180.520 5.1389  181.603 5.1182  -1.082489      7.252904 
1 1 1 0   12  2  o 384.390 7.2153  19862.71  742.828   19607.75  1050.19   20117.99  1050.85   381.913 10.266  386.868 10.141  -4.954834      14.43054 
1 1 1 0   12  3  o 383.371 7.1225  19763.48  731.349   19980.55  1034.49   19546.59  1034.08   385.484 10.019  381.259 10.126  4.225555       14.24507 
1 1 1 0   12  4  o 267.340 5.0936  9595.94   364.650   9843.03   516.025   9349.49   515.360   270.786 7.1147  263.895 7.2911  6.891510       10.18717 
1 1 1 0   12  5  o 281.189 5.3074  10623.92  399.627   10917.07  565.636   10331.76  564.680   285.074 7.4078  277.304 7.6025  7.769867       10.61482 
1 1 1 0   12  6  o 265.595 5.0372  9480.85   358.289   9290.90   506.807   9670.65   506.588   262.926 7.1965  268.264 7.0502  -5.338531      10.07448 
1 1 1 0   12  7  o 59.435  1.8736  473.356   29.826    475.612   42.394    471.144   41.970    59.576  2.6567  59.295  2.6426  0.2803688      3.747164 
1 1 1 0   12  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   12  9  o 110.395 2.5210  1635.00   74.519    1590.16   105.526   1679.60   105.246   108.883 3.6184  111.908 3.5112  -3.024925      5.041955 
1 1 1 0   12  10 o 230.690 4.4743  7166.04   276.412   7000.14   390.914   7331.93   390.898   228.005 6.4010  233.375 6.2535  -5.369629      8.948649 
1 1 1 0   12  11 f 147.912 3.1133  2938.42   123.321   3004.93   174.631   2872.26   174.176   149.586 4.3585  146.238 4.4467  3.347733       6.226569 
1 1 1 0   12  12 o 172.348 3.5284  3993.53   162.882   4004.78   230.473   3982.31   230.227   172.591 4.9856  172.105 4.9943  0.4859772      7.056828 
1 1 1 0   12  13 o 77.719  2.1027  810.103   43.768    822.723   62.044    797.602   61.751    78.322  2.9575  77.116  2.9896  1.206230       4.205330 
1 1 1 0   12  14 o 39.811  1.8448  213.415   19.562    213.283   27.691    213.547   27.640    39.798  2.6121  39.823  2.6057  -0.2516937E-01 3.689551 
1 1 1 0   12  15 o 61.080  1.9836  500.384   32.446    489.322   45.859    511.471   45.912    60.403  2.8345  61.756  2.7756  -1.353767      3.967190 
1 1 1 0   12  16 o 69.254  2.0545  643.635   38.076    610.443   53.734    677.107   53.961    67.457  2.9740  71.051  2.8354  -3.593361      4.109032 
1 1 1 0   12  17 o 194.847 3.8569  5117.71   201.214   5278.87   284.610   4956.66   284.509   197.934 5.3684  191.760 5.5392  6.173431       7.713753 
1 1 1 0   12  18 o 166.484 3.3934  3733.36   151.309   3781.20   213.827   3685.38   214.138   167.559 4.7644  165.409 4.8333  2.150131       6.786771 
1 1 1 0   12  19 o 195.870 3.9315  5186.59   206.262   5171.86   291.412   5201.37   291.986   195.591 5.5625  196.150 5.5576  -0.5587921     7.863089 
1 1 1 0   12  20 o 60.033  2.8957  487.354   46.012    493.211   69.050    482.677   61.710    60.325  4.3017  59.740  3.8775  0.5841866      5.791304 
1 1 1 0   12  21 o 53.888  1.9747  391.494   28.396    401.771   40.068    381.123   40.248    54.606  2.7483  53.170  2.8364  1.436123       3.949414 
1 1 1 0   12  22 o 91.706  2.3341  1133.85   57.326    1151.65   80.903    1115.90   81.240    92.436  3.2677  90.977  3.3338  1.458130       4.668204 
1 1 1 0   12  23 o 86.392  2.2796  1007.42   52.749    996.674   74.269    1018.35   74.932    85.927  3.2269  86.858  3.2209  -0.9308243     4.559281 
1 1 1 0   12  24 o 65.011  2.0418  570.587   35.546    578.120   49.984    562.879   50.560    65.452  2.8512  64.571  2.9234  0.8811111      4.083519 
1 1 1 0   12  25 o 17.947  2.4426  45.892    11.247    60.510    15.965    31.490    15.847    20.960  2.9234  14.935  3.9140  6.024479       4.885232 
1 1 1 0   12  26 o 80.663  2.2599  883.206   48.805    905.304   68.660    860.639   69.386    81.702  3.1375  79.624  3.2534  2.078453       4.519803 
1 1 1 0   12  27 o 84.396  2.3022  968.917   52.040    972.933   73.339    964.843   73.855    84.580  3.2373  84.213  3.2743  0.3671646      4.604425 
1 1 1 0   12  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   12  29 o 25.943  2.2560  93.710    15.087    75.398    21.026    113.147   21.662    23.197  3.4923  28.689  2.8570  -5.492075      4.512033 
1 1 1 0   12  30 o 13.614  2.8921  26.157    11.522    31.003    16.149    21.131    16.445    14.678  3.9989  12.550  4.1790  2.128200       5.784101 
1 1 1 0   12  31 o 33.449  2.1460  155.099   18.961    140.774   26.439    170.268   27.206    31.806  3.1447  35.093  2.9210  -3.286358      4.291945 
1 1 1 0   12  32 o 9.8654  2.7330  8.9963    10.516    9.7453    14.824    8.2376    14.920    9.9883  3.8749  9.7424  3.8551  0.2459335      5.466003 
1 1 1 0   12  33 o 33.939  2.2651  164.136   19.847    201.185   28.102    127.267   28.034    38.041  2.7772  29.838  3.5792  8.202829       4.530289 
1 1 1 0   12  34 o 12.706  2.9062  22.210    11.995    10.630    17.151    33.297    16.782    10.489  4.1388  14.924  4.0810  -4.434704      5.812476 
1 1 1 0   12  35 o 29.533  2.3462  125.016   17.882    99.203    24.825    152.858   25.782    26.133  3.6458  32.933  2.9541  -6.800085      4.692447 
1 1 1 0   12  36 o 11.415  3.0546  15.874    12.835    13.925    18.482    17.689    17.837    11.140  4.3253  11.691  4.3142  -0.5503788     6.109118 
1 1 1 0   12  37 o 9.5314  2.6212  2.6743    11.299    -16.5982  15.988    21.909    15.972    6.8372  3.2435  12.226  4.1186  -5.388451      5.242489 
1 1 1 0   13  0  o 306.202 5.7326  12591.24  470.109   12814.34  664.618   12367.85  665.051   308.924 8.0321  303.480 8.1816  5.444519       11.46529 
1 1 1 0   13  1  o 356.906 6.6313  17127.70  633.873   16855.64  895.896   17400.41  896.968   354.057 9.4470  359.754 9.3086  -5.696930      13.26256 
1 1 1 0   13  2  o 415.333 7.7355  23249.14  860.312   23874.03  1217.03   22624.99  1216.30   420.946 10.794  409.720 11.083  11.22626       15.47093 
1 1 1 0   13  3  o 121.675 2.6900  1984.49   87.669    1972.80   123.948   1996.18   124.016   121.317 3.8144  122.034 3.7941  -0.7173157     5.380069 
1 1 1 0   13  4  o 67.559  1.9851  612.420   35.830    665.635   50.832    559.876   50.511    70.482  2.6926  64.637  2.9175  5.844170       3.970154 
1 1 1 0   13  5  o 396.833 7.3734  21291.29  783.445   20625.36  1107.63   21958.00  1108.29   390.565 10.588  403.101 10.265  -12.53549      14.74688 
1 1 1 0   13  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   13  7  o 101.720 2.3967  1387.49   65.291    1419.31   92.660    1356.12   92.013    102.879 3.3626  100.561 3.4161  2.318520       4.793439 
1 1 1 0   13  8  f 182.447 3.6431  4474.10   177.985   4361.69   251.838   4586.27   251.579   180.149 5.2192  184.745 5.0841  -4.596390      7.286114 
1 1 1 0   13  9  o 133.671 2.8610  2398.81   102.417   2352.47   144.998   2444.94   144.681   132.379 4.0893  134.963 4.0023  -2.583588      5.721982 
1 1 1 0   13  10 o 186.862 3.7756  4697.02   188.949   4613.41   267.322   4780.50   267.105   185.193 5.3892  188.532 5.2894  -3.339127      7.551239 
1 1 1 0   13  11 o 117.906 2.6350  1865.95   83.214    1885.30   117.881   1846.73   117.485   118.516 3.7134  117.296 3.7395  1.220528       5.270037 
1 1 1 0   13  12 o 62.580  1.9179  525.101   32.146    530.357   45.640    519.926   45.285    62.890  2.7094  62.269  2.7152  0.6216736      3.835747 
1 1 1 0   13  13 o 103.924 2.4316  1449.51   67.670    1488.98   95.882    1410.34   95.519    105.336 3.3984  102.512 3.4788  2.824280       4.863228 
1 1 1 0   13  14 o 28.120  2.0213  107.514   14.886    123.039   21.186    92.376    20.920    30.176  2.6480  26.064  3.0546  4.111807       4.042553 
1 1 1 0   13  15 o 110.034 2.5568  1625.68   75.349    1650.13   106.651   1601.32   106.468   110.862 3.5917  109.206 3.6398  1.655922       5.113558 
1 1 1 0   13  16 o 157.025 3.2524  3318.07   136.756   3404.56   193.464   3231.68   193.342   159.080 4.5404  154.970 4.6579  4.109970       6.504716 
1 1 1 0   13  17 o 129.313 2.8139  2248.89   97.454    2284.54   137.805   2213.21   137.838   130.343 3.9472  128.283 4.0115  2.059418       5.627829 
1 1 1 0   13  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   13  19 o 170.146 3.4708  3914.27   158.176   3936.37   223.526   3892.11   223.863   170.633 4.8907  169.660 4.9262  0.9734955      6.941689 
1 1 1 0   13  20 o 82.041  2.2255  906.485   48.848    957.925   69.127    855.182   69.035    84.378  3.0586  79.703  3.2337  4.675049       4.451097 
1 1 1 0   13  21 o 147.484 3.1645  2949.57   125.005   2964.36   176.533   2934.70   177.036   147.862 4.4574  147.106 4.4930  0.7562561      6.328959 
1 1 1 0   13  22 o 102.616 2.4963  1424.05   68.610    1431.48   96.803    1416.56   97.258    102.889 3.5126  102.342 3.5480  0.5476837      4.992668 
1 1 1 0   13  23 o 23.883  2.1334  78.504    13.256    87.584    18.758    69.445    18.736    25.325  2.8128  22.441  3.2085  2.883928       4.266873 
1 1 1 0   13  24 o 16.195  2.5089  36.893    10.619    29.832    14.714    44.569    15.341    14.538  3.7529  17.852  3.3307  -3.313942      5.017743 
1 1 1 0   13  25 o 34.737  2.0323  165.316   18.540    191.767   26.285    139.128   26.154    37.584  2.6275  31.889  3.1012  5.694981       4.064653 
1 1 1 0   13  26 o 100.609 2.5305  1381.27   68.179    1346.19   96.033    1416.92   96.811    99.305  3.6105  101.914 3.5465  -2.609291      5.060946 
1 1 1 0   13  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   13  28 o 64.908  2.1581  575.177   37.517    579.135   52.834    571.152   53.284    65.143  3.0280  64.673  3.0760  0.4697876      4.316293 
1 1 1 0   13  29 o 37.979  2.1110  198.622   21.299    200.218   29.989    196.999   30.257    38.143  2.9585  37.815  3.0122  0.3280449      4.222037 
1 1 1 0   13  30 o 7.5460  2.3347  -6.5374   9.5870    -17.7551  13.364    5.3582    13.761    6.0683  2.9030  9.0236  3.6573  -2.955267      4.669394 
1 1 1 0   13  31 o 52.101  2.1321  376.726   29.614    387.424   41.791    365.936   41.970    52.878  2.9626  51.325  3.0670  1.553085       4.264180 
1 1 1 0   13  32 o 5.3258  1.8375  -22.9287  8.5891    -14.6830  12.284    -30.8159  12.014    5.9396  2.8252  4.7119  2.3505  1.227714       3.675074 
1 1 1 0   13  33 o 17.674  2.8780  47.411    13.823    66.686    19.519    28.017    19.579    21.466  3.5167  13.883  4.5568  7.583284       5.756032 
1 1 1 0   13  34 o 11.906  2.8897  18.136    11.755    28.913    16.770    7.7268    16.481    13.936  4.1690  9.8762  4.0026  4.059433       5.779388 
1 1 1 0   13  35 o 31.286  2.3749  140.431   19.544    128.962   26.995    153.066   28.334    29.886  3.4347  32.685  3.2807  -2.799019      4.749712 
1 1 1 0   13  36 o 13.568  3.1388  27.932    13.239    31.789    18.411    23.802    19.050    14.336  4.3858  12.801  4.4914  1.535238       6.277600 
1 1 1 0   14  0  o 254.384 4.8277  8695.84   328.696   9078.55   464.736   8312.76   464.958   260.004 6.6733  248.764 6.9781  11.23935       9.655368 
1 1 1 0   14  1  o 212.178 4.1246  6043.96   234.369   5909.40   330.989   6179.27   331.909   209.804 5.8899  214.551 5.7756  -4.747238      8.249194 
1 1 1 0   14  2  o 332.432 6.2442  14894.93  555.884   14546.39  785.673   15244.29  786.604   328.515 8.9289  336.350 8.7312  -7.835419      12.48839 
1 1 1 0   14  3  o 210.383 5.7906  5963.70   326.139   5707.21   458.024   6227.50   464.503   205.776 8.3101  214.991 8.0664  -9.214676      11.58120 
1 1 1 0   14  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   14  5  o 133.372 2.8695  2386.89   102.509   2380.38   145.148   2393.38   144.792   133.189 4.0687  133.554 4.0476  -0.3645020     5.739095 
1 1 1 0   14  6  o 213.365 4.1159  6123.96   235.208   6211.33   333.005   6036.97   332.265   214.890 5.7856  211.841 5.8558  3.048965       8.231845 
1 1 1 0   14  7  o 122.248 2.7045  2005.51   88.554    2030.12   125.572   1981.16   124.899   122.995 3.8117  121.501 3.8379  1.493919       5.409070 
1 1 1 0   14  8  o 135.645 2.9070  2470.38   105.611   2505.33   149.696   2435.74   149.020   136.602 4.0913  134.688 4.1307  1.913879       5.813941 
1 1 1 0   14  9  o 212.367 4.1602  6073.31   236.634   6141.46   334.973   6005.41   334.331   213.561 5.8560  211.172 5.9109  2.389465       8.320487 
1 1 1 0   14  10 o 143.378 3.0051  2761.65   115.394   2718.04   163.342   2805.09   163.043   142.244 4.2872  144.512 4.2122  -2.267456      6.010232 
1 1 1 0   14  11 o 55.475  1.9351  413.581   28.675    399.678   40.932    426.980   40.184    54.520  2.8126  56.430  2.6586  -1.910244      3.870248 
1 1 1 0   14  12 o 46.370  1.9351  289.359   23.925    286.922   33.930    291.768   33.742    46.173  2.7561  46.566  2.7171  -0.3928452     3.870218 
1 1 1 0   14  13 o 58.174  1.9615  453.849   30.562    459.843   43.428    447.968   43.018    58.555  2.7689  57.794  2.7790  0.7613258      3.922973 
1 1 1 0   14  14 f 205.830 4.0863  5713.14   225.251   5829.49   318.748   5597.08   318.360   207.937 5.7230  203.723 5.8343  4.213760       8.172659 
1 1 1 0   14  15 o 111.883 2.5437  1681.64   76.220    1713.84   107.875   1649.53   107.707   112.956 3.5655  110.810 3.6289  2.145447       5.087423 
1 1 1 0   14  16 o 69.490  2.0632  648.268   38.401    642.241   54.329    654.286   54.284    69.166  2.9326  69.813  2.9030  -0.6472931     4.126415 
1 1 1 0   14  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   14  18 o 142.691 3.1158  2749.48   119.063   2688.10   168.237   2811.06   168.524   141.084 4.4520  144.299 4.3602  -3.214966      6.231530 
1 1 1 0   14  19 o 100.003 2.4706  1348.09   66.158    1307.72   93.407    1388.73   93.717    98.492  3.5407  101.514 3.4467  -3.022079      4.941288 
1 1 1 0   14  20 o 69.075  2.1044  643.473   38.852    693.352   55.063    594.016   54.829    71.759  2.8648  66.392  3.0832  5.367294       4.208732 
1 1 1 0   14  21 o 46.686  1.9163  294.661   23.846    307.029   33.839    282.461   33.608    47.670  2.6609  45.701  2.7585  1.968525       3.832696 
1 1 1 0   14  22 o 45.245  1.9329  277.227   23.288    260.498   32.745    294.348   33.126    43.847  2.8028  46.644  2.6625  -2.797588      3.865851 
1 1 1 0   14  23 f 43.636  1.9528  258.352   22.683    271.874   32.149    244.948   32.010    44.791  2.6922  42.480  2.8294  2.310841       3.905608 
1 1 1 0   14  24 o 54.793  2.0159  407.215   29.493    428.096   41.670    386.253   41.750    56.259  2.7653  53.328  2.9342  2.930973       4.031896 
1 1 1 0   14  25 o 35.240  2.0238  170.124   18.820    189.257   26.501    150.658   26.731    37.301  2.6701  33.178  3.0419  4.123222       4.047505 
1 1 1 0   14  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   14  27 o 41.186  2.0490  232.109   22.425    215.919   31.326    249.127   32.118    39.684  2.9686  42.687  2.8250  -3.002697      4.097983 
1 1 1 0   14  28 o 29.814  2.2088  123.193   17.374    121.661   24.668    124.701   24.474    29.618  3.1582  30.011  3.0887  -0.3935394     4.417515 
1 1 1 0   14  29 o 62.687  2.1536  541.523   36.081    519.508   50.749    564.026   51.308    61.333  3.0992  64.042  2.9911  -2.709099      4.307205 
1 1 1 0   14  30 o 17.802  2.8205  46.749    13.146    53.010    18.282    40.044    18.919    19.145  3.6990  16.459  4.2589  2.685978       5.641008 
1 1 1 0   14  31 o 22.864  2.5595  75.543    15.029    87.573    21.437    63.913    21.077    24.822  3.3065  20.905  3.9079  3.917267       5.119017 
1 1 1 0   14  32 o 13.252  3.0150  25.243    12.233    29.349    17.420    21.247    17.184    14.087  4.2568  12.417  4.2708  1.670159       6.029974 
1 1 1 0   14  33 f 22.711  2.7580  77.848    15.721    51.777    22.282    103.690   22.184    18.400  4.5472  27.022  3.1224  -8.622356      5.516050 
1 1 1 0   14  34 o 27.137  2.5373  106.772   17.674    84.898    24.233    131.630   25.833    23.938  3.9149  30.336  3.2289  -6.397745      5.074650 
1 1 1 0   14  35 o 10.469  2.8767  10.625    12.116    20.044    17.004    0.9115    17.268    11.961  4.2389  8.9779  3.8902  2.983027       5.753444 
1 1 1 0   15  0  o 103.540 3.4144  1439.82   94.587    1460.57   131.283   1417.43   136.395   104.322 4.6983  102.757 4.9556  1.564590       6.828776 
1 1 1 0   15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   15  2  f 151.568 4.4785  3093.57   181.646   2983.51   259.159   3199.85   254.672   148.898 6.4981  154.239 6.1645  -5.341080      8.956948 
1 1 1 0   15  3  o 155.967 3.2026  3266.18   133.790   3275.98   189.145   3256.37   189.272   156.202 4.5208  155.732 4.5375  0.4696350      6.405241 
1 1 1 0   15  4  o 163.271 3.3421  3581.13   146.138   3514.42   206.625   3647.89   206.715   161.745 4.7694  164.797 4.6831  -3.051743      6.684191 
1 1 1 0   15  5  o 52.729  1.8394  373.247   25.931    366.121   36.729    380.330   36.617    52.193  2.6358  53.265  2.5665  -1.072258      3.678899 
1 1 1 0   15  6  o 179.306 3.6212  4322.92   173.910   4372.92   246.288   4273.20   245.606   180.343 5.0986  178.269 5.1437  2.074249       7.242482 
1 1 1 0   15  7  o 151.296 3.1558  3075.27   127.883   3103.27   181.223   3047.49   180.488   151.983 4.4517  150.609 4.4741  1.374359       6.311566 
1 1 1 0   15  8  f 106.201 2.4705  1513.51   70.274    1521.79   99.729    1505.34   99.038    106.490 3.4964  105.913 3.4911  0.5766220      4.940949 
1 1 1 0   15  9  o 48.034  1.8706  310.305   23.972    310.030   34.140    310.572   33.667    48.011  2.6653  48.056  2.6255  -0.4531097E-01 3.741273 
1 1 1 0   15  10 o 174.125 3.5376  4078.57   164.982   4032.04   233.552   4124.91   233.088   173.129 5.0365  175.121 4.9693  -1.992737      7.075269 
1 1 1 0   15  11 o 94.240  2.3361  1191.94   58.959    1172.36   83.553    1211.35   83.209    93.467  3.3375  95.013  3.2696  -1.545647      4.672165 
1 1 1 0   15  12 o 63.751  2.0138  545.101   34.386    552.312   48.902    538.048   48.360    64.168  2.8452  63.334  2.8508  0.8342400      4.027687 
1 1 1 0   15  13 o 223.378 4.3287  6738.49   258.920   6927.76   366.539   6549.99   365.798   226.534 6.0409  220.223 6.2014  6.310257       8.657326 
1 1 1 0   15  14 o 306.684 5.8681  12818.19  482.035   12868.38  681.853   12768.05  681.549   307.294 8.2842  306.075 8.3134  1.219025       11.73629 
1 1 1 0   15  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   15  16 o 133.770 2.9481  2412.35   105.613   2467.11   149.469   2357.75   149.250   135.296 4.1246  132.245 4.2135  3.050888       5.896256 
1 1 1 0   15  17 o 81.180  2.2013  886.620   47.857    869.769   67.716    903.436   67.645    80.406  3.1442  81.955  3.0816  -1.548683      4.402522 
1 1 1 0   15  18 o 74.704  2.1348  751.519   42.677    791.378   60.555    712.182   60.156    76.682  2.9483  72.726  3.0881  3.955391       4.269515 
1 1 1 0   15  19 o 45.914  1.9148  285.102   23.394    264.069   33.045    306.234   33.124    44.194  2.8062  47.634  2.6060  -3.439999      3.829603 
1 1 1 0   15  20 o 91.691  2.3496  1136.63   57.704    1134.04   81.560    1139.23   81.651    91.586  3.3248  91.796  3.3209  -0.2100296     4.699170 
1 1 1 0   15  21 o 104.269 2.5208  1475.28   70.361    1412.31   99.221    1538.97   99.792    102.005 3.6316  106.533 3.4972  -4.527412      5.041700 
1 1 1 0   15  22 o 34.516  1.9928  162.087   18.260    164.844   25.834    159.334   25.814    34.815  2.7938  34.216  2.8425  0.5996704      3.985589 
1 1 1 0   15  23 f 20.074  2.3876  56.196    12.380    54.612    17.374    57.830    17.646    19.775  3.4028  20.374  3.3500  -0.5989456     4.775112 
1 1 1 0   15  24 o 44.352  2.0141  267.734   23.798    266.281   33.438    269.225   33.878    44.232  2.8373  44.471  2.8593  -0.2392693     4.028167 
1 1 1 0   15  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   15  26 o 22.452  2.3897  70.571    13.922    70.868    19.511    70.264    19.872    22.513  3.3366  22.391  3.4221  0.1217461      4.779475 
1 1 1 0   15  27 o 33.836  2.1675  158.159   19.429    155.511   27.378    160.845   27.577    33.543  3.0817  34.130  3.0487  -0.5861359     4.334944 
1 1 1 0   15  28 o 49.293  2.1003  335.174   27.599    331.958   38.736    338.489   39.332    49.057  2.9619  49.530  2.9786  -0.4737663     4.200598 
1 1 1 0   15  29 o 30.201  2.2712  128.116   18.050    120.090   25.606    136.044   25.448    29.198  3.3338  31.204  3.0852  -2.005312      4.542341 
1 1 1 0   15  30 o 9.0698  2.6106  3.2702    10.570    -6.8963   15.242    12.687    14.670    7.6692  3.4683  10.470  3.9029  -2.801205      5.221230 
1 1 1 0   15  31 o 9.5765  2.6086  5.7887    10.464    -7.3383   14.873    18.652    14.723    7.4926  3.4034  11.660  3.9543  -4.167915      5.217199 
1 1 1 0   15  32 o 10.815  2.9538  12.427    12.230    15.997    17.165    8.7466    17.429    11.398  4.2270  10.233  4.1270  1.164121       5.907629 
1 1 1 0   15  33 o 29.382  2.4374  124.598   18.806    127.306   26.409    121.812   26.786    29.753  3.3734  29.011  3.5190  0.7414284      4.874803 
1 1 1 0   15  34 o 12.345  2.9668  19.987    12.606    6.9668    17.475    34.117    18.203    9.8412  4.0697  14.848  4.3180  -5.007116      5.933588 
1 1 1 0   16  0  o 402.057 7.5666  21971.30  814.574   22615.75  1151.96   21326.82  1152.00   408.041 10.540  396.072 10.859  11.96902       15.13313 
1 1 1 0   16  1  o 227.873 4.4292  6992.44   270.272   7162.37   381.965   6822.05   382.479   230.662 6.1824  225.084 6.3442  5.577408       8.858373 
1 1 1 0   16  2  o 13.799  2.2450  26.797    8.2445    34.589    11.612    18.877    11.708    15.821  2.8447  11.778  3.4738  4.043728       4.489978 
1 1 1 0   16  3  o 151.657 3.1455  3089.50   127.754   3024.24   180.456   3155.08   180.886   150.047 4.4901  153.267 4.4062  -3.219925      6.290953 
1 1 1 0   16  4  o 53.972  1.8659  391.122   26.914    376.751   38.011    405.571   38.114    52.941  2.6894  55.002  2.5871  -2.060493      3.731758 
1 1 1 0   16  5  o 178.475 3.6209  4284.11   173.092   4258.95   244.926   4309.21   244.653   177.949 5.1387  179.001 5.1028  -1.052231      7.241857 
1 1 1 0   16  6  f 122.898 2.7486  2027.92   90.466    2069.98   128.255   1986.28   127.624   124.169 3.8563  121.628 3.9175  2.541306       5.497118 
1 1 1 0   16  7  o 67.943  2.0376  619.190   37.077    612.663   52.667    625.604   52.206    67.587  2.9093  68.299  2.8538  -0.7119064     4.075263 
1 1 1 0   16  8  o 111.221 2.5992  1660.51   77.429    1679.88   109.892   1641.41   109.114   111.866 3.6676  110.576 3.6841  1.289604       5.198436 
1 1 1 0   16  9  o 53.319  1.9298  382.351   27.453    357.890   38.957    406.484   38.694    51.580  2.8306  55.058  2.6238  -3.478394      3.859605 
1 1 1 0   16  10 o 83.144  2.1852  927.724   48.653    911.918   69.116    943.250   68.499    82.440  3.1300  83.848  3.0500  -1.408287      4.370314 
1 1 1 0   16  11 o 137.870 2.9627  2555.11   109.404   2584.88   155.033   2525.59   154.411   138.672 4.1739  137.068 4.2058  1.603546       5.925434 
1 1 1 0   16  12 o 202.797 4.0248  5551.76   218.582   5429.46   309.245   5673.85   308.998   200.547 5.7570  205.048 5.6262  -4.500443      8.049653 
1 1 1 0   16  13 o 154.390 3.2439  3211.98   134.095   3320.54   190.027   3104.30   189.254   157.003 4.5188  151.777 4.6553  5.225250       6.487782 
1 1 1 0   16  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   16  15 o 212.514 4.2195  6137.74   240.175   6099.86   339.757   6175.58   339.561   211.848 5.9876  213.180 5.9468  -1.332123      8.438970 
1 1 1 0   16  16 o 86.575  2.2740  1009.24   52.714    979.837   74.535    1038.67   74.563    85.306  3.2621  87.843  3.1690  -2.537041      4.547923 
1 1 1 0   16  17 o 37.541  1.9164  190.492   19.122    201.883   27.345    179.592   26.748    38.651  2.6575  36.430  2.7618  2.220608       3.832752 
1 1 1 0   16  18 o 58.648  2.0071  464.422   31.437    440.176   44.517    488.543   44.401    57.071  2.9220  60.224  2.7525  -3.152821      4.014258 
1 1 1 0   16  19 o 56.342  2.0003  428.796   30.136    427.867   42.791    429.711   42.449    56.243  2.8498  56.441  2.8079  -0.1977386     4.000692 
1 1 1 0   16  20 o 77.133  2.2252  805.315   45.960    828.323   65.077    782.418   64.917    78.242  3.1052  76.023  3.1881  2.219948       4.450417 
1 1 1 0   16  21 f 54.727  2.0055  406.071   29.296    408.068   41.361    404.061   41.500    54.865  2.8241  54.589  2.8481  0.2764244      4.010942 
1 1 1 0   16  22 o 27.884  2.1206  106.575   15.589    107.423   22.100    105.734   21.993    27.997  2.9935  27.771  3.0045  0.2259846      4.241224 
1 1 1 0   16  23 o 43.956  2.0256  263.184   23.713    257.427   33.525    268.947   33.546    43.465  2.8963  44.447  2.8325  -0.9824142     4.051104 
1 1 1 0   16  24 o 83.150  4.4721  962.450   99.235    0.0000    0.0000    962.450   99.235    ?       ?       83.150  4.4721  ?              ?        
1 1 1 0   16  25 o 43.024  2.0452  253.534   23.428    258.590   33.119    248.470   33.146    43.466  2.8607  42.583  2.9238  0.8830414      4.090466 
1 1 1 0   16  26 o 24.603  2.3966  84.936    15.338    78.578    21.566    91.444    21.818    23.614  3.5169  25.593  3.2566  -1.978243      4.793105 
1 1 1 0   16  27 o 39.744  2.1332  218.740   22.495    234.940   31.980    202.876   31.647    41.253  2.9130  38.236  3.1172  3.016090       4.266465 
1 1 1 0   16  28 o 51.200  2.1256  364.005   28.960    336.100   40.737    392.516   41.177    49.146  3.1107  53.254  2.8977  -4.108311      4.251236 
1 1 1 0   16  29 o 8.5166  2.5251  -0.2236   10.013    10.051    15.238    -8.0310   13.283    10.086  3.9242  6.9475  3.1790  3.138080       5.050271 
1 1 1 0   16  30 o 32.548  2.3428  150.712   19.930    127.997   27.956    174.188   28.421    29.886  3.5626  35.211  3.0434  -5.325434      4.685529 
1 1 1 0   16  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   16  32 o 12.574  2.9891  20.910    12.665    33.879    18.211    8.7604    17.626    14.929  4.3125  10.220  4.1402  4.708960       5.978167 
1 1 1 0   16  33 o 15.418  3.1818  37.088    14.073    31.398    19.888    42.795    19.916    14.287  4.5855  16.550  4.4122  -2.263362      6.363517 
1 1 1 0   17  0  o 328.794 6.2563  14650.89  550.957   14503.98  778.515   14798.30  779.830   327.127 8.8851  330.462 8.8103  -3.335388      12.51262 
1 1 1 0   17  1  o 134.812 2.8610  2440.15   103.301   2405.28   145.633   2475.47   146.551   133.841 4.0624  135.783 4.0295  -1.941544      5.721902 
1 1 1 0   17  2  o 233.165 4.5529  7330.29   284.303   7186.23   401.605   7475.00   402.526   230.855 6.4949  235.475 6.3820  -4.620239      9.105707 
1 1 1 0   17  3  o 106.753 2.4928  1529.61   71.248    1473.43   100.492   1586.40   101.029   104.778 3.5807  108.728 3.4691  -3.949608      4.985596 
1 1 1 0   17  4  o 86.429  2.1993  1002.09   50.912    1012.59   71.987    991.589   72.015    86.883  3.0934  85.975  3.1272  0.9074020      4.398695 
1 1 1 0   17  5  o 138.038 2.9745  2560.27   109.941   2486.09   155.497   2634.42   155.463   136.032 4.2677  140.044 4.1445  -4.011734      5.948959 
1 1 1 0   17  6  o 234.374 4.5853  7411.74   287.815   7557.03   407.457   7267.06   406.609   236.681 6.4273  232.066 6.5415  4.615494       9.170677 
1 1 1 0   17  7  o 59.962  1.9775  482.191   31.757    483.508   45.246    480.913   44.584    60.042  2.8134  59.882  2.7797  0.1602783      3.954998 
1 1 1 0   17  8  o 92.136  2.3382  1139.22   57.674    1188.92   82.066    1090.72   81.071    94.124  3.2551  90.148  3.3575  3.976906       4.676427 
1 1 1 0   17  9  o 49.705  1.9058  332.275   25.272    342.545   36.006    322.303   35.480    50.466  2.6732  48.944  2.7171  1.521839       3.811653 
1 1 1 0   17  10 o 11.182  2.6152  15.904    9.0997    16.756    13.299    15.154    12.478    11.428  3.7557  10.935  3.6402  0.4926157      5.230343 
1 1 1 0   17  11 o 172.346 3.5565  4005.67   164.175   4005.98   232.512   4005.36   231.847   172.351 5.0367  172.341 5.0226  0.9994507E-02  7.112954 
1 1 1 0   17  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   17  13 f 100.192 2.4903  1351.29   66.807    1314.79   94.717    1387.42   94.242    98.837  3.5778  101.547 3.4649  -2.709030      4.980604 
1 1 1 0   17  14 o 94.071  2.3653  1191.28   59.585    1223.96   84.622    1159.14   83.913    95.355  3.3132  92.787  3.3764  2.568451       4.730509 
1 1 1 0   17  15 o 34.834  1.9270  164.331   17.817    157.594   25.373    170.885   25.024    34.114  2.8015  35.553  2.6467  -1.438747      3.854039 
1 1 1 0   17  16 o 99.745  2.4620  1343.64   65.775    1335.30   93.149    1351.94   92.893    99.433  3.4975  100.058 3.4661  -0.6251373     4.924068 
1 1 1 0   17  17 o 93.940  2.3595  1192.91   59.363    1174.51   84.053    1211.23   83.851    93.209  3.3667  94.671  3.3068  -1.461502      4.719047 
1 1 1 0   17  18 o 74.976  2.1569  759.839   43.285    795.949   61.462    724.305   60.970    76.757  2.9895  73.195  3.1099  3.562019       4.313768 
1 1 1 0   17  19 o 56.994  2.0428  440.186   31.083    442.609   44.100    437.794   43.816    57.150  2.8903  56.838  2.8876  0.3117523      4.085588 
1 1 1 0   17  20 o 42.827  2.0032  249.258   22.840    242.805   32.452    255.592   32.151    42.264  2.8839  43.390  2.7810  -1.125397      4.006349 
1 1 1 0   17  21 o 55.536  2.0530  418.715   30.432    446.587   43.292    391.490   42.786    57.424  2.8146  53.647  2.9895  3.776951       4.106013 
1 1 1 0   17  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   17  23 o 58.820  2.1040  472.301   33.006    510.223   46.852    434.941   46.503    61.246  2.8560  56.394  3.0904  4.852158       4.208027 
1 1 1 0   17  24 o 71.664  2.2102  703.029   42.425    699.206   59.920    706.873   60.076    71.467  3.1302  71.862  3.1212  -0.3952637     4.420415 
1 1 1 0   17  25 o 49.762  2.1168  340.790   28.049    320.287   39.428    361.797   39.911    48.208  3.0695  51.317  2.9157  -3.109066      4.233555 
1 1 1 0   17  26 o 10.254  2.7865  10.124    10.960    4.7692    15.902    14.970    15.128    9.4365  3.8904  11.071  3.9902  -1.634631      5.572902 
1 1 1 0   17  27 o 49.345  2.1194  338.149   27.871    347.979   39.493    328.397   39.338    50.085  2.9571  48.605  3.0369  1.479904       4.238712 
1 1 1 0   17  28 o 7.1228  2.3050  -10.8196  10.104    -1.8334   14.679    -18.9110  13.929    8.1209  3.5517  6.1246  2.9388  1.996233       4.609937 
1 1 1 0   17  29 o 26.528  2.5450  101.505   17.454    116.401   24.892    87.098    24.480    28.613  3.3089  24.443  3.8678  4.170364       5.090073 
1 1 1 0   17  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   17  31 o 25.640  2.6328  96.547    17.411    83.788    24.529    109.504   24.718    23.738  4.0001  27.543  3.4245  -3.804672      5.265695 
1 1 1 0   17  32 f 12.579  3.1428  22.564    13.209    21.029    18.335    24.221    19.047    12.261  4.3956  12.898  4.4929  -0.6365509     6.285530 
1 1 1 0   18  0  o 260.851 5.0017  9192.79   349.257   8811.10   492.955   9577.49   494.899   255.371 7.2069  266.331 6.9375  -10.96034      10.00342 
1 1 1 0   18  1  o 325.145 6.1819  14347.36  538.294   14633.24  760.997   14061.09  761.529   328.431 8.6507  321.858 8.8335  6.572662       12.36386 
1 1 1 0   18  2  o 127.252 2.8104  2174.71   95.788    2185.59   135.199   2163.75   135.732   127.573 3.9567  126.931 3.9923  0.6421585      5.620833 
1 1 1 0   18  3  o 180.495 3.6606  4384.06   176.947   4291.65   249.891   4476.98   250.592   178.580 5.2243  182.411 5.1289  -3.831223      7.321171 
1 1 1 0   18  4  o 182.621 3.7100  4488.72   181.466   4528.01   256.615   4449.41   256.649   183.424 5.2232  181.817 5.2701  1.606979       7.419924 
1 1 1 0   18  5  o 117.937 2.6665  1867.70   84.233    1871.43   119.192   1863.99   119.056   118.054 3.7694  117.819 3.7726  0.2352142      5.333055 
1 1 1 0   18  6  o 102.345 2.4813  1406.19   68.012    1434.80   96.434    1377.88   95.934    103.382 3.4825  101.307 3.5354  2.074944       4.962594 
1 1 1 0   18  7  o 111.826 2.6058  1679.64   78.033    1727.61   110.722   1632.29   109.992   113.416 3.6448  110.236 3.7252  3.180038       5.211654 
1 1 1 0   18  8  o 110.756 2.5592  1647.89   75.910    1686.14   107.770   1610.23   106.941   112.034 3.5914  109.478 3.6469  2.556419       5.118404 
1 1 1 0   18  9  o 54.540  1.9999  400.275   29.113    404.058   41.453    396.591   40.897    54.795  2.8341  54.286  2.8224  0.5089264      3.999789 
1 1 1 0   18  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   18  11 o 27.369  2.1639  101.773   15.561    110.114   22.433    94.037    21.604    28.472  2.9860  26.266  3.1326  2.206226       4.327798 
1 1 1 0   18  12 o 40.303  1.9794  219.384   21.229    217.280   30.305    221.411   29.747    40.108  2.8393  40.498  2.7587  -0.3908882     3.958814 
1 1 1 0   18  13 o 97.989  2.4524  1294.10   64.364    1312.60   91.414    1275.92   90.639    98.685  3.4584  97.293  3.4781  1.392075       4.904857 
1 1 1 0   18  14 o 60.682  2.0320  496.060   33.008    482.317   47.030    509.401   46.337    59.846  2.9340  61.517  2.8122  -1.671112      4.064034 
1 1 1 0   18  15 o 55.308  2.0208  413.339   29.832    413.224   42.436    413.451   41.946    55.297  2.8750  55.319  2.8405  -0.2124405E-01 4.041554 
1 1 1 0   18  16 o 62.503  2.0406  527.115   34.153    543.654   48.552    510.915   48.052    63.478  2.8556  61.527  2.9158  1.950653       4.081181 
1 1 1 0   18  17 o 61.722  2.0770  514.816   34.336    516.063   48.734    513.588   48.386    61.795  2.9443  61.649  2.9302  0.1456985      4.153962 
1 1 1 0   18  18 o 45.136  2.0016  276.422   24.057    291.194   34.296    262.113   33.754    46.339  2.7759  43.934  2.8844  2.405506       4.003178 
1 1 1 0   18  19 o 104.268 2.5662  1481.29   71.651    1522.37   101.566   1440.58   101.096   105.728 3.5865  102.808 3.6713  2.920227       5.132371 
1 1 1 0   18  20 o 24.566  2.2306  83.706    14.106    100.571   20.199    67.651    19.708    27.101  2.8241  22.030  3.4534  5.071283       4.461138 
1 1 1 0   18  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   18  22 o 38.531  2.0509  203.511   20.978    192.337   29.774    214.527   29.562    37.446  2.9935  39.615  2.8041  -2.169086      4.101729 
1 1 1 0   18  23 o 12.349  2.7084  19.710    10.746    7.1407    15.192    32.297    15.203    9.7076  3.8747  14.991  3.7854  -5.283674      5.416837 
1 1 1 0   18  24 o 47.637  2.1255  312.733   26.981    312.659   38.059    312.808   38.256    47.635  2.9982  47.640  3.0136  -0.4508972E-02 4.250993 
1 1 1 0   18  25 o 21.665  2.5892  67.121    14.401    79.107    20.836    56.158    19.928    23.650  3.3858  19.680  3.9183  3.970093       5.178489 
1 1 1 0   18  26 o 54.173  2.2054  409.068   31.812    436.294   45.129    382.176   44.850    56.037  3.0178  52.309  3.2167  3.728592       4.410750 
1 1 1 0   18  27 o 34.902  2.3158  172.868   21.076    142.028   29.689    204.198   29.924    31.553  3.5761  38.250  2.9433  -6.697840      4.631550 
1 1 1 0   18  28 o 39.536  2.1886  219.636   22.991    219.626   32.337    219.646   32.693    39.546  3.0770  39.526  3.1133  0.1977539E-01  4.377278 
1 1 1 0   18  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   18  30 o 17.319  3.0682  46.024    14.274    39.917    20.130    52.200    20.243    16.094  4.4963  18.543  4.1761  -2.449242      6.136495 
1 1 1 0   18  31 o 23.032  2.8032  80.139    16.642    77.481    23.987    82.606    23.109    22.554  4.1226  23.510  3.7993  -0.9562035     5.606303 
1 1 1 0   19  0  o 119.131 2.6593  1905.53   84.853    1903.80   119.481   1907.30   120.528   119.077 3.7461  119.184 3.7755  -0.1069107     5.318642 
1 1 1 0   19  1  f 159.996 3.2721  3441.67   140.212   3374.44   197.693   3509.72   198.892   158.419 4.6590  161.572 4.5958  -3.153015      6.544288 
1 1 1 0   19  2  o 110.849 2.5819  1649.72   76.656    1652.91   108.134   1646.51   108.685   110.957 3.6385  110.740 3.6642  0.2170792      5.163778 
1 1 1 0   19  3  o 159.032 3.2724  3401.25   139.391   3379.24   196.791   3423.42   197.468   158.515 4.6350  159.549 4.6207  -1.034821      6.544789 
1 1 1 0   19  4  o 44.384  1.9126  265.216   22.627    267.200   31.888    263.205   32.112    44.553  2.6846  44.214  2.7248  0.3389473      3.825152 
1 1 1 0   19  5  o 118.710 2.6873  1893.80   85.416    1833.99   120.755   1953.69   120.838   116.827 3.8590  120.592 3.7411  -3.764244      5.374693 
1 1 1 0   19  6  f 211.366 4.2087  6036.22   238.245   5938.22   337.021   6134.12   336.838   209.635 6.0021  213.096 5.9014  -3.461212      8.417354 
1 1 1 0   19  7  o 84.057  2.2265  948.862   50.128    954.733   71.166    943.082   70.619    84.314  3.1513  83.799  3.1463  0.5156555      4.453018 
1 1 1 0   19  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   19  9  o 94.345  2.3533  1196.97   59.464    1214.86   84.442    1179.37   83.753    95.046  3.3169  93.645  3.3391  1.401398       4.706543 
1 1 1 0   19  10 o 57.434  1.9682  443.433   30.266    432.526   42.984    454.158   42.624    56.730  2.8289  58.138  2.7372  -1.407890      3.936351 
1 1 1 0   19  11 o 49.245  1.9743  327.091   25.914    344.721   36.943    310.013   36.360    50.563  2.7380  47.928  2.8451  2.634266       3.948576 
1 1 1 0   19  12 o 48.112  1.9629  312.545   25.182    309.954   35.889    315.057   35.344    47.910  2.8090  48.313  2.7425  -0.4032593     3.925802 
1 1 1 0   19  13 o 96.622  2.4520  1261.59   63.447    1244.49   90.068    1278.44   89.392    95.963  3.5041  97.281  3.4307  -1.318222      4.903921 
1 1 1 0   19  14 o 57.058  2.0556  440.244   31.308    445.602   44.685    435.078   43.877    57.399  2.9161  56.718  2.8978  0.6801872      4.111107 
1 1 1 0   19  15 o 63.089  2.0726  537.829   35.010    525.032   49.774    550.359   49.253    62.336  2.9811  63.841  2.8803  -1.504517      4.145252 
1 1 1 0   19  16 o 72.624  2.1606  713.765   42.019    734.079   59.629    693.729   59.220    73.658  3.0224  71.589  3.0884  2.069084       4.321217 
1 1 1 0   19  17 o 52.337  2.0253  371.810   28.268    360.151   40.096    383.330   39.859    51.505  2.9185  53.168  2.8089  -1.662540      4.050570 
1 1 1 0   19  18 o 50.480  2.0373  346.546   27.412    335.285   39.043    357.492   38.495    49.651  2.9491  51.309  2.8118  -1.658508      4.074688 
1 1 1 0   19  19 o 50.374  4.8909  355.635   65.159    0.0000    0.0000    355.635   65.159    ?       ?       50.374  4.8909  ?              ?        
1 1 1 0   19  20 o 59.044  2.1029  475.331   33.166    453.654   46.911    496.995   46.896    57.634  3.0496  60.454  2.8961  -2.819714      4.205708 
1 1 1 0   19  21 o 16.738  2.6090  40.096    11.722    59.459    16.988    22.499    16.194    20.624  3.1772  12.851  4.1392  7.773497       5.218028 
1 1 1 0   19  22 o 19.495  2.6794  54.420    13.469    63.204    19.286    46.057    18.818    21.137  3.5311  17.853  4.0307  3.284199       5.358716 
1 1 1 0   19  23 o 50.738  2.1346  355.182   28.877    351.447   40.866    358.907   40.810    50.462  3.0376  51.015  2.9999  -0.5528984     4.269238 
1 1 1 0   19  24 o 19.801  2.6787  57.088    13.646    47.740    19.410    66.223    19.188    18.035  4.1097  21.568  3.4369  -3.532309      5.357418 
1 1 1 0   19  25 o 19.197  2.8903  54.785    14.429    45.027    20.698    64.008    20.124    17.355  4.4358  21.038  3.7066  -3.683151      5.780593 
1 1 1 0   19  26 o 46.133  2.1784  297.796   26.749    310.163   38.015    285.668   37.645    47.118  3.0281  45.147  3.1325  1.971016       4.356830 
1 1 1 0   19  27 o 33.061  2.3564  155.514   20.457    138.369   28.907    172.716   28.954    31.102  3.5326  35.020  3.1195  -3.917845      4.712810 
1 1 1 0   19  28 o 11.542  2.8752  11.475    12.872    33.581    18.755    -8.2137   17.700    14.927  4.3950  8.1577  3.7083  6.769345       5.750437 
1 1 1 0   19  29 o 10.184  2.8438  10.162    11.466    12.411    16.642    8.1306    15.820    10.613  4.1088  9.7551  3.9327  0.8576708      5.687567 
1 1 1 0   19  30 o 15.497  3.0866  36.044    14.017    54.365    20.951    21.198    18.860    18.696  4.2766  12.297  4.4518  6.399006       6.173111 
1 1 1 0   20  0  o 110.031 2.5052  1625.35   73.827    1601.89   103.877   1649.30   104.945   109.229 3.5505  110.834 3.5351  -1.605827      5.010300 
1 1 1 0   20  1  o 78.062  2.1607  817.848   45.169    829.906   63.619    805.591   64.143    78.644  3.0202  77.480  3.0908  1.164131       4.321362 
1 1 1 0   20  2  o 209.372 4.1184  5915.40   230.959   5919.09   326.181   5911.68   327.072   209.440 5.8145  209.303 5.8341  0.1364441      8.236826 
1 1 1 0   20  3  o 145.786 3.0714  2859.68   119.899   2773.46   169.202   2946.63   169.926   143.570 4.4000  148.002 4.2865  -4.431946      6.142819 
1 1 1 0   20  4  o 116.735 2.6721  1831.98   83.549    1826.65   118.005   1837.33   118.308   116.565 3.7796  116.905 3.7783  -0.3403931     5.344190 
1 1 1 0   20  5  o 183.127 3.7550  4529.68   184.182   4526.35   260.500   4533.02   260.444   183.059 5.3128  183.195 5.3078  -0.1362000     7.509904 
1 1 1 0   20  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   20  7  o 151.368 3.2031  3093.41   129.855   3052.62   183.810   3134.05   183.475   150.362 4.5640  152.373 4.4955  -2.010681      6.406196 
1 1 1 0   20  8  o 15.861  2.6200  35.393    11.028    43.276    15.587    27.493    15.604    17.632  3.4239  14.089  3.9666  3.542542       5.239929 
1 1 1 0   20  9  o 70.234  2.1263  663.838   39.996    658.232   56.799    669.351   56.329    69.937  3.0321  70.531  2.9817  -0.5938034     4.252556 
1 1 1 0   20  10 o 108.007 2.5688  1575.61   74.283    1528.96   105.314   1621.81   104.792   106.400 3.6953  109.614 3.5692  -3.213951      5.137613 
1 1 1 0   20  11 o 123.562 2.8032  2068.40   92.758    2033.51   131.469   2102.98   130.893   122.509 4.0065  124.614 3.9216  -2.105057      5.606301 
1 1 1 0   20  12 o 90.073  2.3639  1096.77   57.016    1132.28   81.044    1061.97   80.228    91.526  3.3059  88.620  3.3799  2.905899       4.727850 
1 1 1 0   20  13 o 52.750  1.9793  376.447   27.863    382.853   39.720    370.241   39.096    53.193  2.7977  52.307  2.8007  0.8862495      3.958635 
1 1 1 0   20  14 o 62.167  2.0843  522.494   34.703    522.415   49.446    522.571   48.717    62.158  2.9699  62.176  2.9253  -0.1810074E-01 4.168623 
1 1 1 0   20  15 o 48.020  2.0041  313.242   25.621    295.216   36.373    330.996   36.097    46.622  2.9276  49.419  2.7377  -2.796535      4.008230 
1 1 1 0   20  16 o 34.649  2.0568  164.113   18.850    151.545   26.864    176.304   26.458    33.300  3.0456  35.997  2.7652  -2.697342      4.113619 
1 1 1 0   20  17 o 30.663  2.0741  128.631   16.825    130.526   23.981    126.793   23.611    30.887  2.9340  30.439  2.9323  0.4480820      4.148132 
1 1 1 0   20  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   20  19 f 12.945  2.8076  23.101    10.771    18.644    15.191    27.607    15.275    11.943  4.0167  13.948  3.9238  -2.004298      5.615203 
1 1 1 0   20  20 o 55.214  2.1099  417.749   31.069    436.027   44.228    399.942   43.655    56.429  2.9364  53.999  3.0305  2.430458       4.219761 
1 1 1 0   20  21 o 7.2100  2.2851  -5.1803   9.0854    -7.8097   13.900    -3.2192   12.005    7.2271  3.2856  7.1929  3.1766  0.3419113E-01  4.570123 
1 1 1 0   20  22 o 12.672  2.8937  22.317    11.240    19.361    16.601    24.819    15.273    12.145  4.1966  13.198  3.9854  -1.052888      5.787437 
1 1 1 0   20  23 o 32.663  2.2150  149.353   18.986    171.391   27.188    128.377   26.525    35.127  2.9160  30.198  3.3350  4.929306       4.430013 
1 1 1 0   20  24 o 54.633  2.1874  416.464   31.858    433.455   45.108    399.554   45.000    55.793  3.0298  53.474  3.1558  2.318863       4.374791 
1 1 1 0   20  25 o 14.390  3.1321  30.513    13.282    28.205    18.958    32.739    18.615    13.938  4.4774  14.843  4.3809  -0.9049768     6.264130 
1 1 1 0   20  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   20  27 o 22.771  2.9397  79.012    16.997    54.742    24.131    102.909   23.945    18.794  4.7819  26.748  3.4205  -7.953753      5.879337 
1 1 1 0   20  28 o 5.7645  1.9758  -26.0364  9.5875    -41.2383  13.214    -9.1399   13.932    4.5681  2.3037  6.9608  3.2108  -2.392678      3.951700 
1 1 1 0   21  0  o 91.121  2.2681  1114.69   55.350    1092.28   77.772    1137.69   78.792    90.192  3.2193  92.050  3.1957  -1.857689      4.536162 
1 1 1 0   21  1  o 70.007  2.0407  657.849   38.253    636.485   53.879    679.565   54.320    68.858  2.9213  71.155  2.8502  -2.296127      4.081334 
1 1 1 0   21  2  o 132.763 2.8672  2372.21   101.957   2352.20   143.712   2392.49   144.671   132.199 4.0586  133.327 4.0511  -1.128510      5.734424 
1 1 1 0   21  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   21  4  f 112.804 3.8323  1737.97   114.637   1547.91   165.865   1911.80   158.621   106.679 5.8268  118.928 4.9795  -12.24875      7.664692 
1 1 1 0   21  5  o 121.317 2.7661  1984.94   89.779    1870.17   126.677   2100.76   127.259   117.771 4.0158  124.863 3.8051  -7.092575      5.532216 
1 1 1 0   21  6  o 224.861 4.4592  6901.05   268.567   6928.38   379.931   6873.76   379.692   225.313 6.2955  224.409 6.3169  0.9041443      8.918313 
1 1 1 0   21  7  o 41.144  1.9335  228.725   21.165    216.859   29.850    240.724   30.016    40.057  2.7997  42.230  2.6673  -2.173531      3.866906 
1 1 1 0   21  8  o 22.204  2.2254  67.949    12.795    60.577    18.099    75.314    18.091    20.939  3.3393  23.469  2.9427  -2.529457      4.450870 
1 1 1 0   21  9  o 158.240 3.3430  3409.48   141.665   3343.40   200.581   3475.24   200.107   156.681 4.7795  159.798 4.6752  -3.117004      6.685920 
1 1 1 0   21  10 o 37.909  1.9544  194.878   19.638    215.240   28.024    175.233   27.527    39.886  2.6381  35.932  2.8844  3.953770       3.908865 
1 1 1 0   21  11 o 66.505  2.1063  597.381   37.518    600.175   53.406    594.657   52.719    66.656  2.9913  66.354  2.9663  0.3023758      4.212691 
1 1 1 0   21  12 o 59.476  2.0615  478.573   32.733    513.139   46.790    445.438   45.810    61.633  2.8343  57.319  2.9942  4.313820       4.122915 
1 1 1 0   21  13 o 27.874  2.1303  106.367   15.647    109.048   22.138    103.690   22.118    28.237  2.9716  27.511  3.0532  0.7263908      4.260549 
1 1 1 0   21  14 o 32.285  2.0286  142.155   17.359    142.485   24.652    141.830   24.449    32.321  2.8777  32.249  2.8601  0.7152176E-01  4.057225 
1 1 1 0   21  15 o 42.080  2.0773  241.233   23.262    240.383   33.162    242.057   32.641    41.999  2.9669  42.160  2.9083  -0.1608009     4.154598 
1 1 1 0   21  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   21  17 o 20.141  2.5470  57.215    13.232    54.746    18.654    59.715    18.772    19.674  3.6750  20.608  3.5277  -0.9332523     5.094082 
1 1 1 0   21  18 o 35.882  2.1089  176.720   20.074    184.553   28.856    169.375   27.943    36.663  2.9638  35.102  3.0009  1.560596       4.217737 
1 1 1 0   21  19 o 19.322  2.8063  53.610    14.037    58.878    20.190    48.682    19.528    20.290  3.8561  18.354  4.0782  1.935787       5.612648 
1 1 1 0   21  20 o 47.717  2.1307  314.145   27.086    310.309   38.557    317.884   38.060    47.410  3.0525  48.024  2.9735  -0.6136703     4.261344 
1 1 1 0   21  21 o 53.486  2.1773  396.515   31.056    392.808   44.119    400.155   43.724    53.220  3.1085  53.751  3.0496  -0.5314484     4.354628 
1 1 1 0   21  22 o 38.822  2.2751  212.620   23.115    175.995   32.750    248.976   32.629    35.285  3.5119  42.360  2.8931  -7.075222      4.550144 
1 1 1 0   21  23 o 60.048  2.2696  504.761   36.357    523.108   51.656    486.751   51.180    61.169  3.1637  58.927  3.2552  2.241795       4.539292 
1 1 1 0   21  24 o 36.052  2.2495  182.962   21.493    188.095   30.794    178.086   30.013    36.550  3.1771  35.554  3.1854  0.9964714      4.498979 
1 1 1 0   21  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   21  26 o 7.2779  2.3616  -8.7655   10.368    -7.7211   15.728    -9.5681   13.788    7.6600  3.4873  6.8959  3.1855  0.7640848      4.723201 
1 1 1 0   21  27 o 26.346  2.7317  103.728   18.469    119.700   26.030    87.537    26.208    28.682  3.4581  24.010  4.2298  4.671473       5.463418 
1 1 1 0   22  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   22  1  o 108.935 3.1236  1608.67   86.364    1625.16   106.652   1577.25   147.194   109.882 3.6237  107.988 5.0889  1.894295       6.247268 
1 1 1 0   22  2  o 11.875  2.4620  15.971    9.9302    34.275    14.122    -1.9286   13.966    15.655  3.4601  8.0958  3.5033  7.558705       4.923944 
1 1 1 0   22  3  o 99.054  2.4212  1321.24   64.228    1289.66   90.511    1353.26   91.156    97.857  3.4532  100.250 3.3948  -2.393288      4.842412 
1 1 1 0   22  4  o 78.951  2.1638  838.989   45.755    847.832   64.572    830.071   64.843    79.372  3.0373  78.531  3.0827  0.8414993      4.327624 
1 1 1 0   22  5  o 195.626 3.9799  5222.61   208.538   5245.74   294.819   5199.46   295.017   196.069 5.6138  195.183 5.6431  0.8857117      7.959849 
1 1 1 0   22  6  o 69.845  2.1125  657.326   39.518    648.283   55.857    666.388   55.916    69.361  3.0066  70.328  2.9684  -0.9673386     4.225038 
1 1 1 0   22  7  o 52.314  1.9817  369.457   27.656    397.664   39.395    342.048   38.834    54.337  2.7068  50.292  2.8951  4.044804       3.963353 
1 1 1 0   22  8  f 53.260  1.9746  383.522   28.070    383.172   39.723    383.871   39.670    53.235  2.7956  53.285  2.7893  -0.4987335E-01 3.949109 
1 1 1 0   22  9  o 131.321 2.9031  2347.90   102.103   2392.16   144.718   2304.03   144.074   132.569 4.0756  130.073 4.1353  2.495682       5.806156 
1 1 1 0   22  10 o 65.549  2.1092  580.902   37.027    593.522   52.705    568.604   52.029    66.255  2.9699  64.844  2.9956  1.411018       4.218337 
1 1 1 0   22  11 o 42.476  2.0011  244.882   22.633    249.938   32.351    240.034   31.676    42.907  2.8308  42.045  2.8292  0.8618546      4.002224 
1 1 1 0   22  12 o 17.202  2.6441  42.255    12.101    60.758    17.345    24.712    16.889    20.932  3.1949  13.471  4.2140  7.461320       5.288199 
1 1 1 0   22  13 o 34.465  2.0844  161.960   19.024    174.899   27.405    149.924   26.431    35.815  2.8811  33.114  3.0129  2.701538       4.168757 
1 1 1 0   22  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   22  15 o 31.942  2.1492  140.671   17.996    120.125   25.333    161.601   25.569    29.498  3.2608  34.385  2.8006  -4.886875      4.298398 
1 1 1 0   22  16 o 22.476  2.4343  70.904    14.158    67.911    20.381    73.695    19.682    21.966  3.5880  22.985  3.2908  -1.019182      4.868562 
1 1 1 0   22  17 o 18.881  2.6854  50.991    13.110    51.673    18.519    50.306    18.561    19.018  3.7688  18.744  3.8265  0.2744770      5.370839 
1 1 1 0   22  18 o 35.546  2.1763  174.805   20.511    171.114   29.055    178.472   28.958    35.154  3.1181  35.937  3.0368  -0.7830620     4.352569 
1 1 1 0   22  19 o 16.230  2.9078  38.386    12.650    41.573    18.457    35.563    17.371    16.855  4.1224  15.604  4.1021  1.250812       5.815599 
1 1 1 0   22  20 o 27.046  2.4957  104.664   17.351    86.025    24.607    123.095   24.469    24.437  3.8897  29.654  3.1279  -5.217054      4.991361 
1 1 1 0   22  21 o 9.3634  2.7389  4.6298    11.213    6.6650    16.100    2.7128    15.625    9.7158  3.9494  9.0110  3.7959  0.7047777      5.477774 
1 1 1 0   22  22 o 16.440  3.1438  40.518    14.186    43.467    20.403    37.759    19.736    17.004  4.4340  15.875  4.4581  1.129003       6.287641 
1 1 1 0   22  23 o 38.851  4.3836  239.931   44.038    233.000   62.913    246.590   61.665    38.109  6.3896  39.592  6.0031  -1.483036      8.767220 
1 1 1 0   22  24 o 20.529  2.9883  64.286    15.922    82.184    22.359    45.872    22.678    23.796  3.6224  17.263  4.7537  6.532598       5.976573 
1 1 1 0   22  25 f 14.103  3.1218  29.387    13.276    37.220    19.402    22.490    18.205    15.575  4.4366  12.631  4.3930  2.943554       6.243523 
1 1 1 0   22  26 o 37.253  2.4195  201.702   23.856    208.632   33.678    194.723   33.798    37.962  3.3463  36.544  3.4955  1.417923       4.839073 
1 1 1 0   23  0  o 48.078  1.9254  311.798   24.683    319.802   34.777    303.674   35.039    48.707  2.6760  47.448  2.7690  1.259029       3.850760 
1 1 1 0   23  1  o 103.438 2.4533  1442.16   67.968    1423.76   95.588    1460.97   96.664    102.771 3.4725  104.106 3.4666  -1.335396      4.906667 
1 1 1 0   23  2  o 93.656  2.3518  1182.51   58.994    1179.09   83.029    1185.98   83.836    93.521  3.3146  93.790  3.3372  -0.2686844     4.703579 
1 1 1 0   23  3  o 150.559 3.2111  3077.89   129.479   3015.95   182.622   3140.50   183.605   149.021 4.5753  152.098 4.5068  -3.077408      6.422204 
1 1 1 0   23  4  o 24.746  2.1615  84.114    13.919    73.687    19.650    94.613    19.718    23.142  3.2605  26.350  2.8386  -3.207342      4.322973 
1 1 1 0   23  5  o 56.033  1.9844  423.767   29.730    416.098   41.868    431.567   42.222    55.484  2.8266  56.583  2.7859  -1.099098      3.968785 
1 1 1 0   23  6  o 99.963  2.4513  1353.30   65.627    1328.35   92.718    1378.35   92.902    99.030  3.4955  100.895 3.4377  -1.864929      4.902680 
1 1 1 0   23  7  o 39.127  1.9636  207.727   20.420    220.117   29.016    195.568   28.744    40.302  2.7036  37.952  2.8484  2.349873       3.927223 
1 1 1 0   23  8  f 110.947 2.6641  1675.28   79.092    1765.77   112.199   1585.90   111.510   113.967 3.6755  107.926 3.8574  6.041763       5.328168 
1 1 1 0   23  9  o 33.891  2.0446  156.408   18.378    159.072   26.331    153.877   25.664    34.171  2.9043  33.610  2.8785  0.5615540      4.089154 
1 1 1 0   23  10 o 27.137  2.2437  102.207   15.668    80.935    22.078    123.789   22.238    24.149  3.5165  30.126  2.7876  -5.976379      4.487362 
1 1 1 0   23  11 o 71.292  2.2212  690.237   42.393    720.221   60.320    660.972   59.593    72.837  3.0919  69.747  3.1899  3.090569       4.442452 
1 1 1 0   23  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   23  13 o 18.306  2.6777  47.590    12.697    51.209    18.175    44.141    17.744    19.017  3.7013  17.594  3.8705  1.422647       5.355384 
1 1 1 0   23  14 o 9.1038  2.5521  3.4264    9.9577    -6.9467   14.010    14.017    14.156    7.3893  3.3349  10.818  3.8641  -3.428936      5.104171 
1 1 1 0   23  15 o 30.972  2.1958  132.397   17.960    137.815   25.899    127.377   24.928    31.589  3.1009  30.356  3.1098  1.233437       4.391643 
1 1 1 0   23  16 o 55.790  2.2010  428.719   32.755    425.999   46.588    431.377   46.062    55.600  3.1412  55.979  3.0840  -0.3789940     4.402033 
1 1 1 0   23  17 o 47.163  2.1811  308.053   27.345    288.231   38.826    327.561   38.518    45.593  3.1996  48.732  2.9651  -3.139191      4.362228 
1 1 1 0   23  18 o 55.406  2.1979  425.860   32.481    430.738   46.479    421.205   45.409    55.705  3.1278  55.107  3.0888  0.5976372      4.395881 
1 1 1 0   23  19 o 20.151  2.8890  59.582    15.054    60.280    21.632    58.926    20.964    20.252  4.1279  20.051  4.0430  0.2012062      5.778036 
1 1 1 0   23  20 o 37.428  2.2672  196.684   22.456    213.992   32.194    180.284   31.338    39.098  3.0996  35.759  3.3094  3.338524       4.534329 
1 1 1 0   23  21 o 14.624  3.0489  30.832    13.149    42.554    19.212    20.502    18.035    16.859  4.2545  12.388  4.3682  4.470160       6.097722 
1 1 1 0   23  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   23  23 f 25.971  2.6284  98.442    17.727    93.239    25.257    103.493   24.887    25.201  3.8651  26.742  3.5631  -1.540379      5.256877 
1 1 1 0   23  24 o 9.9950  2.8957  7.5755    12.380    9.9267    17.764    5.3550    17.263    10.379  4.1733  9.6108  4.0154  0.7684507      5.791396 
1 1 1 0   24  0  o 115.165 2.6458  1794.03   81.606    1804.69   114.773   1783.13   116.055   115.521 3.7093  114.810 3.7740  0.7117615      5.291626 
1 1 1 0   24  1  o 96.950  2.3882  1269.90   62.013    1265.83   87.217    1274.06   88.189    96.796  3.3640  97.104  3.3907  -0.3076324     4.776321 
1 1 1 0   24  2  o 66.777  2.0328  601.229   36.353    587.913   50.978    615.007   51.855    66.024  2.8827  67.531  2.8668  -1.506844      4.065523 
1 1 1 0   24  3  o 87.645  2.3168  1039.19   54.378    1053.24   76.536    1024.87   77.272    88.254  3.2377  87.037  3.3146  1.216881       4.633522 
1 1 1 0   24  4  o 64.036  2.0538  553.896   35.217    537.909   49.688    570.034   49.921    63.101  2.9399  64.972  2.8686  -1.870396      4.107510 
1 1 1 0   24  5  o 93.512  2.4133  1185.97   60.445    1182.91   85.381    1189.05   85.583    93.390  3.4133  93.633  3.4125  -0.2425537     4.826538 
1 1 1 0   24  6  o 74.368  2.1697  748.837   43.220    746.450   61.027    751.239   61.217    74.249  3.0686  74.487  3.0683  -0.2378693     4.339462 
1 1 1 0   24  7  o 45.924  2.0026  286.390   24.489    270.878   34.475    302.188   34.792    44.649  2.8984  47.198  2.7641  -2.549595      4.005135 
1 1 1 0   24  8  o 75.338  2.1996  770.018   44.386    775.560   62.880    764.514   62.664    75.610  3.1049  75.066  3.1166  0.5440521      4.399282 
1 1 1 0   24  9  o 75.471  2.2250  774.170   44.933    817.166   63.769    731.772   63.324    77.579  3.0689  73.362  3.2226  4.216698       4.450049 
1 1 1 0   24  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   24  11 o 41.709  2.0984  238.853   23.061    201.389   32.426    277.195   32.804    38.303  3.1896  45.114  2.7275  -6.810818      4.196756 
1 1 1 0   24  12 o 20.959  2.4423  61.983    13.153    53.416    18.592    70.565    18.610    19.401  3.7132  22.518  3.1735  -3.117853      4.884582 
1 1 1 0   24  13 o 79.199  2.3541  861.307   49.935    872.580   70.913    850.219   70.329    79.718  3.3211  78.680  3.3372  1.037460       4.708129 
1 1 1 0   24  14 o 23.540  2.6663  79.211    15.921    100.857   22.906    58.979    22.145    26.900  3.2446  20.181  4.2319  6.719097       5.332599 
1 1 1 0   24  15 o 36.388  2.2241  184.067   21.362    164.648   30.104    203.765   30.319    34.370  3.3110  38.405  2.9705  -4.035275      4.448175 
1 1 1 0   24  16 o 36.907  2.2197  189.638   21.731    188.889   30.931    190.368   30.538    36.822  3.1670  36.991  3.1110  -0.1694565     4.439369 
1 1 1 0   24  17 o 27.991  2.4900  111.492   18.151    99.912    25.673    123.067   25.667    26.420  3.7317  29.562  3.2978  -3.141848      4.980055 
1 1 1 0   24  18 o 32.001  2.3304  144.414   19.613    159.467   28.091    130.097   27.396    33.713  3.1473  30.290  3.4377  3.422739       4.660797 
1 1 1 0   24  19 o 16.784  3.1313  42.413    14.405    35.451    20.492    49.215    20.253    15.410  4.6080  18.158  4.2409  -2.747567      6.262530 
1 1 1 0   24  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   24  21 o 27.463  2.6698  109.604   19.107    114.377   27.285    105.011   26.766    28.089  3.7179  26.836  3.8325  1.252796       5.339557 
1 1 1 0   24  22 o 14.042  3.2306  28.644    14.325    38.925    20.642    19.092    19.897    15.886  4.5919  12.198  4.5456  3.687705       6.461299 
1 1 1 0   24  23 o 31.232  2.5491  143.097   20.932    144.116   29.701    142.091   29.505    31.345  3.6032  31.119  3.6066  0.2256832      5.098111 
1 1 1 0   25  0  o 29.713  1.9923  120.286   15.648    114.381   22.165    126.153   22.093    28.966  2.8958  30.461  2.7371  -1.494928      3.984634 
1 1 1 0   25  1  o 86.681  2.2995  1017.09   53.374    985.744   74.918    1049.39   76.060    85.317  3.2784  88.044  3.2253  -2.726936      4.598954 
1 1 1 0   25  2  o 38.380  1.9421  200.240   19.795    210.998   27.767    189.122   28.229    39.454  2.6428  37.306  2.8465  2.147915       3.884245 
1 1 1 0   25  3  o 88.570  2.3295  1063.90   55.261    1053.06   77.693    1074.99   78.617    88.115  3.2919  89.026  3.2969  -0.9111023     4.659006 
1 1 1 0   25  4  o 33.481  2.0188  152.753   17.925    156.771   25.296    148.701   25.404    33.936  2.8082  33.027  2.9012  0.9090080      4.037682 
1 1 1 0   25  5  o 89.129  2.3518  1079.47   56.143    1087.64   79.304    1071.28   79.492    89.473  3.3091  88.785  3.3427  0.6883545      4.703581 
1 1 1 0   25  6  o 17.938  2.6148  46.199    12.158    34.040    17.394    57.812    16.999    15.485  4.1211  20.390  3.2194  -4.904993      5.229565 
1 1 1 0   25  7  o 77.567  2.2423  818.214   46.585    806.276   65.708    830.279   66.055    76.993  3.1862  78.142  3.1560  -1.148994      4.484679 
1 1 1 0   25  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   25  9  o 35.592  2.1153  173.674   19.962    182.181   28.332    165.289   28.130    36.482  2.9240  34.703  3.0576  1.778889       4.230620 
1 1 1 0   25  10 o 12.587  2.8523  21.057    11.162    14.090    15.695    28.188    15.879    11.086  4.0537  14.087  4.0138  -3.001195      5.704691 
1 1 1 0   25  11 o 51.453  2.1134  363.050   29.000    358.427   40.966    367.695   41.058    51.117  3.0053  51.789  2.9723  -0.6721382     4.226869 
1 1 1 0   25  12 o 11.850  2.7467  16.040    11.154    2.1217    15.420    31.313    16.153    8.9620  3.7728  14.737  3.9929  -5.775450      5.493351 
1 1 1 0   25  13 o 25.094  2.4712  88.882    16.142    84.996    22.890    92.727    22.766    24.503  3.5946  25.684  3.3922  -1.181112      4.942478 
1 1 1 0   25  14 o 29.386  2.3553  122.624   17.896    102.438   25.752    141.477   24.887    26.848  3.6777  31.924  2.9436  -5.075945      4.710640 
1 1 1 0   25  15 o 29.957  2.3711  126.324   18.648    138.148   26.858    115.319   25.911    31.370  3.2433  28.544  3.4598  2.826422       4.742279 
1 1 1 0   25  16 o 51.579  2.2390  371.674   30.782    371.973   43.753    371.381   43.314    51.589  3.1819  51.569  3.1510  0.2050400E-01  4.478071 
1 1 1 0   25  17 o 43.143  2.2488  261.086   25.802    266.199   36.670    256.073   36.310    43.574  3.1635  42.713  3.1970  0.8608284      4.497650 
1 1 1 0   25  18 o 38.731  2.3080  211.487   23.696    223.795   33.861    199.674   33.172    39.881  3.1968  37.581  3.3299  2.299805       4.616046 
1 1 1 0   25  19 o 31.781  2.5118  145.200   20.925    134.015   29.887    155.954   29.307    30.453  3.7429  33.109  3.3508  -2.656633      5.023659 
1 1 1 0   25  20 o 8.5781  2.6131  -2.3095   11.517    8.3621    15.860    -14.2142  16.751    9.8353  3.9473  7.3210  3.4253  2.514310       5.226261 
1 1 1 0   25  21 o 17.409  3.2373  47.408    15.305    45.498    21.691    49.302    21.598    17.036  4.6318  17.781  4.5240  -0.7446861     6.474551 
1 1 1 0   26  0  o 62.348  2.0117  525.522   33.582    505.142   46.994    546.788   48.006    61.108  2.8712  63.588  2.8186  -2.480625      4.023440 
1 1 1 0   26  1  o 79.645  2.2046  859.754   47.000    817.516   65.815    903.710   67.141    77.634  3.1651  81.655  3.0698  -4.020737      4.409257 
1 1 1 0   26  2  o 39.868  1.9776  216.102   20.981    211.335   29.513    220.973   29.832    39.418  2.8138  40.318  2.7794  -0.9004135     3.955116 
1 1 1 0   26  3  o 31.755  2.0645  137.751   17.354    132.014   24.316    143.706   24.774    31.068  2.9578  32.443  2.8810  -1.374773      4.129004 
1 1 1 0   26  4  o 50.262  2.0055  343.624   26.849    320.360   37.733    367.480   38.211    48.511  2.9176  52.013  2.7526  -3.501740      4.011079 
1 1 1 0   26  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   26  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   26  7  o 27.461  2.2868  105.155   16.255    87.141    22.983    123.184   22.992    24.975  3.5343  29.947  2.9028  -4.972654      4.573600 
1 1 1 0   26  8  o 35.715  2.1328  175.500   20.166    189.141   28.648    162.103   28.391    37.135  2.9033  34.296  3.1249  2.838818       4.265517 
1 1 1 0   26  9  o 49.901  2.1164  341.818   28.156    341.332   39.791    342.306   39.847    49.865  2.9930  49.936  2.9930  -0.7121658E-01 4.232726 
1 1 1 0   26  10 f 14.355  2.9176  29.161    12.128    38.501    17.373    20.281    16.939    16.297  4.0078  12.413  4.2412  3.884167       5.835217 
1 1 1 0   26  11 o 6.0446  1.9919  -17.9218  8.2534    -31.2678  10.972    -0.5292   12.526    4.3537  2.1828  7.7355  3.3326  -3.381803      3.983802 
1 1 1 0   26  12 o 9.8406  2.7111  8.0627    10.635    14.776    14.835    0.9642    15.255    10.974  3.9518  8.7067  3.7125  2.267655       5.422170 
1 1 1 0   26  13 o 16.613  2.9522  40.917    13.220    47.431    18.536    34.174    18.859    17.994  3.9539  15.232  4.3851  2.762018       5.904482 
1 1 1 0   26  14 o 26.308  2.5698  99.163    17.564    90.753    24.769    107.670   24.911    25.089  3.8053  27.527  3.4547  -2.438581      5.139557 
1 1 1 0   26  15 o 28.133  2.5471  113.653   18.298    142.097   26.412    87.402    25.374    31.786  3.1435  24.480  4.0086  7.305864       5.094172 
1 1 1 0   26  16 o 9.4549  2.6966  3.2408    11.328    15.821    16.175    -8.8688   15.869    11.283  4.1169  7.6268  3.4841  3.656239       5.393268 
1 1 1 0   26  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   26  18 o 37.561  2.3458  200.987   23.345    196.969   33.289    204.876   32.748    37.146  3.3829  37.977  3.2508  -0.8313828     4.691628 
1 1 1 0   26  19 o 9.0263  2.7482  1.1591    12.019    -0.8450   16.446    3.4566    17.609    8.6149  3.7639  9.4377  4.0055  -0.8227806     5.496421 
1 1 1 0   27  0  o 9.9225  2.5612  9.2353    9.4900    -0.1902   13.583    18.223    13.264    8.1758  3.4952  11.669  3.7447  -3.493308      5.122393 
1 1 1 0   27  1  o 36.235  2.0489  179.954   19.590    201.854   27.682    157.983   27.727    38.511  2.7008  33.959  3.0819  4.551506       4.097851 
1 1 1 0   27  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   27  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   27  4  o 69.398  2.1663  656.794   40.267    652.953   56.654    660.716   57.242    69.196  3.0567  69.601  3.0705  -0.4045181     4.332624 
1 1 1 0   27  5  o 44.577  2.0516  271.980   24.353    262.571   34.307    281.538   34.577    43.784  2.9424  45.371  2.8598  -1.587917      4.103240 
1 1 1 0   27  6  o 40.436  2.0955  224.586   22.536    226.150   31.764    223.000   31.979    40.586  2.9419  40.286  2.9848  0.2997055      4.190929 
1 1 1 0   27  7  o 16.074  2.8598  36.828    12.844    21.619    17.732    53.619    18.631    12.777  4.3394  19.371  3.7261  -6.594588      5.719683 
1 1 1 0   27  8  o 18.801  2.8173  51.497    13.777    61.312    19.404    41.520    19.563    20.747  3.6237  16.856  4.3147  3.890272       5.634562 
1 1 1 0   27  9  o 22.391  2.5714  71.384    14.876    66.480    20.716    76.604    21.374    21.551  3.7235  23.232  3.5474  -1.681330      5.142835 
1 1 1 0   27  10 o 17.512  2.8489  44.825    13.079    42.290    18.045    47.629    18.982    16.985  4.0277  18.039  4.0302  -1.054407      5.697796 
1 1 1 0   27  11 o 19.105  2.9231  53.837    14.527    57.496    20.347    50.033    20.748    19.840  3.9675  18.370  4.2938  1.469439       5.846175 
1 1 1 0   27  12 o 15.545  3.0268  35.874    13.004    35.442    18.383    36.307    18.397    15.454  4.2893  15.636  4.2717  -0.1816502     6.053544 
1 1 1 0   27  13 f 24.432  2.6305  86.301    16.633    81.332    23.753    91.083    23.300    23.652  3.8842  25.212  3.5484  -1.560635      5.261042 
1 1 1 0   27  14 o 21.307  2.8700  67.820    15.675    85.223    22.136    50.320    22.199    24.379  3.4896  18.236  4.5574  6.142908       5.739970 
1 1 1 0   27  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   27  16 o 44.767  2.3552  284.702   28.006    268.018   39.235    302.034   39.989    43.366  3.4052  46.167  3.2547  -2.800968      4.710454 
1 1 1 0   27  17 o 9.6784  2.6473  1.3340    11.945    22.802    16.321    -23.4315  17.530    12.555  4.1623  6.8017  3.2722  5.753376       5.294519 
1 1 1 0   27  18 o 11.766  3.0580  18.284    12.771    22.508    17.981    13.986    18.140    12.508  4.3650  11.025  4.2839  1.482448       6.115968 
1 1 1 0   28  0  f 36.058  3.2166  185.688   29.214    173.846   47.040    193.123   37.272    34.823  5.2029  37.294  3.7836  -2.471722      6.433228 
1 1 1 0   28  1  o 37.216  2.0148  189.468   19.908    177.670   27.792    201.902   28.532    36.005  2.9067  38.428  2.7910  -2.423923      4.029684 
1 1 1 0   28  2  o 12.180  2.7652  19.090    10.523    11.651    14.277    27.936    15.570    10.350  3.8518  14.011  3.9685  -3.661065      5.530391 
1 1 1 0   28  3  o 8.8732  2.4492  -0.9862   9.7374    -16.0238  13.105    17.546    14.549    6.1493  2.9229  11.597  3.9308  -5.447833      4.898376 
1 1 1 0   28  4  o 25.593  2.4565  93.018    15.875    119.363   22.719    67.882    22.191    29.400  2.9238  21.786  3.9483  7.614651       4.912988 
1 1 1 0   28  5  o 20.316  2.6640  59.611    13.888    50.470    19.970    68.173    19.328    18.648  4.1090  21.984  3.3916  -3.335567      5.327947 
1 1 1 0   28  6  o 7.5140  2.2964  -2.3585   8.7325    4.0588    12.342    -8.7910   12.357    8.4299  3.4458  6.5980  3.0363  1.831920       4.592710 
1 1 1 0   28  7  o 29.770  2.2384  123.853   17.566    119.618   24.758    128.147   24.928    29.233  3.2150  30.307  3.1152  -1.073805      4.476707 
1 1 1 0   28  8  o 33.398  2.2302  155.946   19.714    156.003   27.812    155.888   27.948    33.408  3.1450  33.388  3.1628  0.2005005E-01  4.460324 
1 1 1 0   28  9  o 16.352  2.9575  39.618    13.001    39.450    18.123    39.797    18.661    16.325  4.1388  16.378  4.2258  -0.5319023E-01 5.914999 
1 1 1 0   28  10 o 20.066  2.8361  59.588    14.698    45.360    20.641    74.224    20.935    17.398  4.4204  22.733  3.5545  -5.334812      5.672235 
1 1 1 0   28  11 o 35.432  2.2634  176.769   21.239    179.089   29.738    174.352   30.345    35.702  3.1417  35.162  3.2590  0.5402718      4.526768 
1 1 1 0   28  12 o 16.432  3.1090  40.624    14.268    51.352    20.146    29.826    20.211    18.567  4.1548  14.297  4.6261  4.269492       6.217970 
1 1 1 0   28  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   28  14 o 11.855  3.0288  17.448    12.849    26.183    17.812    7.9711    18.552    13.391  4.3439  10.319  4.2221  3.071940       6.057659 
1 1 1 0   28  15 o 33.695  2.4985  164.713   21.823    132.890   30.452    198.312   31.290    30.064  3.8716  37.326  3.1594  -7.262276      4.997044 
1 1 1 0   28  16 o 9.3325  2.7644  2.8779    11.976    -5.5773   16.570    12.124    17.328    8.0563  3.6322  10.609  4.1684  -2.552322      5.528852 
1 1 1 0   29  0  o 67.017  2.1677  615.377   38.906    604.432   54.525    626.731   55.531    66.411  3.0653  67.624  3.0658  -1.213684      4.335312 
1 1 1 0   29  1  o 32.381  2.1775  146.138   18.485    163.208   25.782    128.083   26.515    34.441  2.8196  30.322  3.3190  4.118942       4.354956 
1 1 1 0   29  2  o 25.818  2.4527  94.131    16.147    72.012    22.349    118.284   23.354    22.441  3.8573  29.196  3.0306  -6.755394      4.905410 
1 1 1 0   29  3  o 37.857  2.1175  198.995   21.194    217.384   29.764    180.079   30.187    39.717  2.8161  35.997  3.1630  3.720566       4.234907 
1 1 1 0   29  4  o 36.720  2.1820  188.141   21.114    211.201   29.838    165.015   29.880    39.087  2.8701  34.354  3.2874  4.732677       4.364028 
1 1 1 0   29  5  f 37.331  2.1526  194.034   21.324    200.463   30.091    187.548   30.224    37.985  2.9816  36.678  3.1057  1.306858       4.305224 
1 1 1 0   29  6  o 8.7273  2.5986  2.2139    10.412    5.0816    14.408    -0.9212   15.065    9.0859  3.7195  8.3686  3.6299  0.7173500      5.197200 
1 1 1 0   29  7  o 34.279  2.2320  165.030   20.234    173.598   28.569    156.405   28.662    35.226  3.0582  33.331  3.2518  1.894772       4.463947 
1 1 1 0   29  8  o 16.043  2.7632  36.234    13.626    7.7435    18.829    67.561    19.743    10.421  4.2575  21.665  3.5235  -11.24345      5.526372 
1 1 1 0   29  9  o 25.985  2.5753  97.736    17.147    79.403    24.115    116.481   24.385    23.280  4.0123  28.689  3.2294  -5.409424      5.150509 
1 1 1 0   29  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   29  11 o 22.717  2.7961  76.550    16.275    86.874    22.679    65.587    23.369    24.530  3.5553  20.904  4.3166  3.625879       5.592269 
1 1 1 0   29  12 o 28.592  2.5439  118.358   19.027    121.878   26.625    114.685   27.200    29.095  3.4859  28.089  3.7058  1.005999       5.087710 
1 1 1 0   29  13 o 25.024  2.8132  93.090    18.221    92.630    25.494    93.570    26.052    24.982  3.9406  25.066  4.0159  -0.8348465E-01 5.626354 
1 1 1 0   29  14 o 41.564  2.4464  250.960   26.887    227.377   37.781    275.162   38.273    39.425  3.6182  43.703  3.2938  -4.278328      4.892891 
1 1 1 0   30  0  o 27.604  2.3542  106.963   16.835    88.125    23.249    127.731   24.411    24.917  3.5869  30.292  3.0501  -5.374777      4.708391 
1 1 1 0   30  1  o 29.307  2.2999  120.636   17.722    124.122   24.687    116.930   25.456    29.793  3.1409  28.821  3.3606  0.9720840      4.599861 
1 1 1 0   30  2  o 10.870  2.5988  10.474    11.068    29.561    15.172    -11.2359  16.181    14.228  3.8759  7.5112  3.4631  6.717044       5.197699 
1 1 1 0   30  3  o 36.150  2.1707  182.468   20.771    167.251   28.976    198.551   29.789    34.543  3.1670  37.757  2.9696  -3.213417      4.341477 
1 1 1 0   30  4  o 36.293  2.2142  184.704   21.305    188.033   29.947    181.292   30.316    36.653  3.0790  35.933  3.1827  0.7197838      4.428314 
1 1 1 0   30  5  o 18.537  2.9199  52.908    14.892    79.263    20.760    24.970    21.375    23.556  3.3878  13.518  4.7567  10.03801       5.839776 
1 1 1 0   30  6  o 8.6376  2.5881  1.8751    10.422    5.1033    13.784    -2.4323   15.923    8.9038  3.6408  8.3714  3.6793  0.5323496      5.176116 
1 1 1 0   30  7  o 20.160  2.8241  59.960    14.706    58.629    20.472    61.379    21.139    19.933  3.9738  20.388  4.0139  -0.4553165     5.648242 
1 1 1 0   30  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   30  9  o 27.616  2.6068  110.550   18.746    101.457   26.287    119.960   26.741    26.362  3.8353  28.871  3.5317  -2.509584      5.213700 
1 1 1 0   30  10 o 17.813  3.2067  48.843    15.587    37.357    21.828    60.793    22.265    15.595  4.7763  20.030  4.2800  -4.434439      6.413369 
1 1 1 0   30  11 o 32.594  2.6118  156.010   21.595    113.729   29.887    202.193   31.236    27.522  4.1863  37.666  3.1243  -10.14377      5.223629 
1 1 1 0   30  12 o 13.491  3.2289  27.227    13.881    24.498    19.048    30.318    20.272    12.927  4.4936  14.055  4.6379  -1.128260      6.457789 
1 1 1 0   31  0  o 57.311  2.1671  457.934   33.138    459.335   46.442    456.481   47.298    57.425  3.0301  57.196  3.0989  0.2294044      4.334146 
1 1 1 0   31  1  o 36.285  2.2224  185.228   21.337    195.011   29.863    175.024   30.497    37.340  3.0114  35.231  3.2691  2.109795       4.444704 
1 1 1 0   31  2  o 31.093  2.2983  136.628   18.852    133.731   26.297    139.691   27.042    30.755  3.2410  31.430  3.2596  -0.6746693     4.596638 
1 1 1 0   31  3  o 9.4832  2.7260  6.0004    10.799    3.0328    14.325    9.9073    16.437    8.7006  3.6482  10.266  4.0515  -1.565277      5.451926 
1 1 1 0   31  4  o 16.519  2.9260  39.409    13.631    21.310    18.361    61.629    20.344    12.545  4.4091  20.492  3.8479  -7.946438      5.852000 
1 1 1 0   31  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   31  6  o 25.382  2.7351  94.766    17.685    74.441    24.728    116.045   25.302    22.287  4.2981  28.476  3.3835  -6.188604      5.470105 
1 1 1 0   31  7  o 9.5317  2.6861  3.9540    11.567    17.695    15.543    -13.1010  17.316    11.487  4.0547  7.5768  3.5241  3.909765       5.372139 
1 1 1 0   31  8  o 26.172  2.6467  100.457   17.986    92.580    25.070    108.812   25.818    25.028  3.8642  27.317  3.6176  -2.289116      5.293361 
1 1 1 0   31  9  o 17.717  3.2098  49.194    15.309    51.020    21.538    47.330    21.763    18.084  4.4716  17.350  4.6061  0.7341862      6.419622 
1 1 1 0   32  0  o 16.853  3.0487  42.167    14.066    30.627    19.146    55.703    20.735    14.380  4.4847  19.326  4.1309  -4.945813      6.097313 
1 1 1 0   32  1  o 13.139  2.7297  21.515    12.944    46.207    17.624    -7.4016   19.073    17.672  3.8337  8.6061  3.8869  9.065938       5.459414 
1 1 1 0   32  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 0   32  3  o 11.718  2.9671  14.497    12.819    0.6049    17.467    30.711    18.871    9.0950  3.9268  14.340  4.4491  -5.245364      5.934159 
1 1 1 0   32  4  o 14.223  2.9370  26.362    13.537    5.6711    18.201    51.974    20.251    9.9040  4.1293  18.542  4.1777  -8.638030      5.874013 
1 1 1 0   32  5  o 14.292  3.2055  30.541    13.731    27.320    18.440    34.549    20.571    13.569  4.4208  15.016  4.6431  -1.447537      6.411036 
1 1 1 0   32  6  o 9.4957  2.6876  1.4816    12.206    19.602    16.270    -21.8465  18.460    11.851  4.1512  7.1404  3.4148  4.710652       5.375228 
1 1 1 0   32  7  o 20.674  3.1238  66.736    16.775    69.987    23.543    63.383    23.909    21.288  4.2773  20.060  4.5539  1.228508       6.247661 
1 1 1 0   33  0  o 9.1205  2.6246  2.4112    11.279    14.878    14.599    -16.0473  17.764    10.800  3.9156  7.4412  3.4961  3.358699       5.249228 
1 1 1 0   33  1  o 19.207  3.1374  58.849    16.324    78.285    22.204    35.992    24.079    23.079  3.7182  15.335  5.0544  7.744175       6.274752 
1 1 1 0   33  2  o 16.921  3.2273  44.031    14.894    39.393    19.828    50.037    22.562    15.959  4.4638  17.884  4.6623  -1.925084      6.454650 
1 1 1 0   33  3  o 15.239  3.1736  36.370    14.392    46.781    19.594    24.171    21.210    17.410  4.2410  13.067  4.7224  4.342918       6.347209 
1 1 1 0   33  4  f 12.041  3.0703  19.160    13.489    29.542    18.155    6.3659    20.154    13.855  4.3742  10.227  4.3097  3.628326       6.140592 
1 1 1 0   34  0  o 21.230  3.0063  69.048    16.479    61.226    22.508    78.085    24.192    19.844  4.3542  22.617  4.1463  -2.773033      6.012561 
1 1 1 0   34  1  o 17.405  3.1480  48.658    14.849    54.947    20.062    41.038    22.081    18.852  4.0906  15.958  4.7860  2.894339       6.295970 
1 1 1 1   -37 15 o 16.888  3.3896  45.762    16.797    71.694    25.966    27.101    22.026    20.662  4.7859  13.114  4.8012  7.547831       6.779108 
1 1 1 1   -37 16 o 24.813  3.1687  98.443    20.143    121.458   30.395    80.421    26.897    27.635  4.2419  21.991  4.7083  5.643078       6.337358 
1 1 1 1   -37 17 o 21.165  3.3967  73.496    18.882    98.028    29.014    55.474    24.868    24.430  4.6029  17.901  4.9963  6.529499       6.793375 
1 1 1 1   -37 18 o 12.327  3.2174  21.351    15.826    -2.0667   25.328    36.349    20.270    9.9248  4.4812  14.730  4.6179  -4.805284      6.434703 
1 1 1 1   -37 19 o 10.251  3.0809  8.3110    14.655    1.9514    24.302    11.945    18.371    10.107  4.4888  10.394  4.2212  -0.2872982     6.161767 
1 1 1 1   -37 20 o 11.352  3.3071  12.920    17.285    -4.8742   26.474    26.140    22.819    9.8234  4.4924  12.880  4.8545  -3.056271      6.614168 
1 1 1 1   -37 21 o 18.521  3.7087  61.941    19.178    62.596    28.631    61.408    25.828    18.418  5.4323  18.623  5.0504  -0.2045288     7.417374 
1 1 1 1   -37 22 o 9.8325  3.0555  3.6930    15.199    7.3636    24.164    1.2900    19.551    10.517  4.5794  9.1485  4.0464  1.368107       6.110971 
1 1 1 1   -36 7  o 8.5668  2.7104  -4.4123   13.143    -18.8315  21.440    4.2675    16.634    7.9714  3.7742  9.1622  3.8910  -1.190747      5.420751 
1 1 1 1   -36 8  o 19.395  3.2857  61.808    16.749    55.155    26.198    66.407    21.782    18.101  5.1549  20.689  4.0756  -2.587685      6.571471 
1 1 1 1   -36 9  o 32.815  2.4473  158.581   21.131    162.245   31.134    155.452   28.773    33.073  3.5712  32.557  3.3471  0.5159378      4.894537 
1 1 1 1   -36 10 o 14.281  3.3973  31.928    15.163    32.690    24.139    31.431    19.488    14.418  5.0560  14.143  4.5391  0.2752151      6.794611 
1 1 1 1   -36 11 o 13.107  3.3092  25.057    15.550    10.570    24.220    35.217    20.283    11.332  4.7471  14.882  4.6119  -3.550643      6.618478 
1 1 1 1   -36 12 o 10.833  3.0635  12.601    13.097    10.001    22.357    13.959    16.160    10.999  4.5803  10.667  4.0695  0.3318415      6.126973 
1 1 1 1   -36 13 o 22.196  3.0606  75.865    17.449    85.728    26.463    68.279    23.209    23.456  4.3729  20.935  4.2833  2.520933       6.121135 
1 1 1 1   -36 14 f 14.355  2.8305  30.942    14.473    -5.7224   22.444    57.044    18.937    9.3203  4.2123  19.390  3.7819  -10.06989      5.660980 
1 1 1 1   -36 15 o 20.328  3.4227  66.448    18.325    73.765    27.271    60.424    24.745    21.342  4.8772  19.313  4.8035  2.028500       6.845454 
1 1 1 1   -36 16 o 18.893  3.4335  58.497    17.461    54.638    26.217    61.573    23.408    18.117  5.1559  19.669  4.5357  -1.552132      6.867034 
1 1 1 1   -36 17 o 9.1903  2.9153  -7.9728   14.946    7.6589    23.269    -18.9501  19.499    10.834  4.6017  7.5461  3.5805  3.288358       5.830550 
1 1 1 1   -36 18 o 10.476  2.9994  1.1655    13.577    28.266    23.072    -13.1885  16.791    13.643  4.9262  7.3102  3.4232  6.332613       5.998749 
1 1 1 1   -36 19 o 27.443  3.0953  118.073   21.346    155.667   30.918    83.831    29.507    32.307  3.6361  22.578  5.0101  9.728510       6.190567 
1 1 1 1   -36 20 o 8.1642  2.6402  -10.1140  13.504    -29.8689  22.287    1.3456    16.974    7.4649  3.6153  8.8635  3.8488  -1.398627      5.280494 
1 1 1 1   -36 21 o 14.651  3.2214  32.595    17.025    -0.7969   25.790    58.386    22.666    10.290  4.5937  19.012  4.5176  -8.721949      6.442859 
1 1 1 1   -36 22 o 20.093  3.3346  62.916    19.741    116.575   30.290    23.295    26.028    27.234  4.2946  12.952  5.1025  14.28207       6.669255 
1 1 1 1   -36 23 o 19.913  3.6622  67.723    19.779    78.217    28.991    58.586    27.051    21.449  5.1177  18.378  5.2399  3.071459       7.324391 
1 1 1 1   -36 24 o 20.856  3.7073  75.749    20.651    73.423    30.793    77.650    27.840    20.270  5.5219  21.442  4.9482  -1.171989      7.414554 
1 1 1 1   -36 25 o 18.529  3.8166  61.784    20.083    60.376    29.826    62.952    27.162    18.149  5.5873  18.909  5.2007  -0.7597466     7.633174 
1 1 1 1   -36 26 o 16.971  3.3853  45.837    18.712    86.105    27.947    13.118    25.191    22.581  4.7701  11.362  4.8047  11.21907       6.770500 
1 1 1 1   -36 27 o 23.339  3.6319  96.025    22.081    96.891    31.699    95.209    30.775    23.373  5.1978  23.305  5.0741  0.6868744E-01  7.263864 
1 1 1 1   -36 28 o 10.719  3.2366  -2.6632   18.198    33.729    27.593    -30.6785  24.210    13.824  5.3072  7.6143  3.7063  6.209285       6.473289 
1 1 1 1   -36 29 o 23.856  3.6912  106.219   23.372    138.944   33.340    74.598    32.773    28.609  4.4995  19.103  5.8528  9.505749       7.382491 
1 1 1 1   -35 2  o 20.761  3.1421  67.131    17.132    95.402    25.819    44.894    22.899    24.980  3.9935  16.543  4.8523  8.436861       6.284284 
1 1 1 1   -35 3  o 18.862  3.1943  56.912    15.880    53.164    23.977    59.840    21.194    18.078  4.8508  19.646  4.1573  -1.568239      6.388533 
1 1 1 1   -35 4  o 14.251  3.0209  32.044    13.503    15.055    20.854    44.309    17.719    11.516  4.5576  16.986  3.9664  -5.470254      6.041831 
1 1 1 1   -35 5  o 18.104  3.2490  51.535    15.688    54.697    23.744    49.085    20.899    18.510  4.7618  17.699  4.4214  0.8111629      6.497936 
1 1 1 1   -35 6  o 16.847  3.4418  44.621    16.313    51.687    24.887    39.297    21.601    17.911  4.9978  15.783  4.7337  2.127627       6.883698 
1 1 1 1   -35 7  o 25.431  2.8241  95.567    17.893    138.560   26.997    61.885    23.896    30.971  3.3055  19.891  4.5799  11.08048       5.648120 
1 1 1 1   -35 8  o 18.353  3.1543  49.973    16.089    80.245    24.710    27.694    21.198    23.016  4.1613  13.690  4.7415  9.326674       6.308604 
1 1 1 1   -35 9  o 13.843  4.6381  28.716    20.254    0.0000    0.0000    28.716    20.254    ?       ?       13.843  4.6381  ?              ?        
1 1 1 1   -35 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -35 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -35 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -35 13 o 22.410  3.0369  75.855    17.492    96.642    25.950    58.547    23.680    25.474  3.9296  19.345  4.6314  6.129202       6.073878 
1 1 1 1   -35 14 f 18.736  3.2404  52.970    17.002    83.707    25.679    28.979    22.686    23.479  4.2393  13.993  4.9018  9.485305       6.480745 
1 1 1 1   -35 15 o 10.136  2.9388  1.3462    12.836    22.160    21.891    -9.5594   15.846    12.812  4.7692  7.4602  3.4351  5.351438       5.877502 
1 1 1 1   -35 16 o 30.109  2.6384  133.270   20.794    142.339   30.123    125.014   28.739    31.128  3.6843  29.089  3.7778  2.039711       5.276889 
1 1 1 1   -35 17 o 25.612  2.8456  98.466    18.863    101.355   27.334    95.840    26.064    25.948  4.0666  25.276  3.9816  0.6715984      5.691206 
1 1 1 1   -35 18 o 47.215  2.4007  322.864   30.096    304.316   42.825    340.963   42.304    45.736  3.5230  48.695  3.2623  -2.959560      4.801446 
1 1 1 1   -35 19 o 13.833  3.0977  17.629    15.779    58.815    24.644    -10.9893  20.542    19.180  4.8066  8.4864  3.9089  10.69350       6.195361 
1 1 1 1   -35 20 o 13.614  3.2922  23.981    15.690    45.608    23.406    6.3334    21.143    16.822  4.8976  10.405  4.4010  6.416862       6.584493 
1 1 1 1   -35 21 o 10.270  3.1244  0.2229    15.768    15.715    24.303    -11.0389  20.721    12.039  4.8670  8.5003  3.9191  3.538710       6.248736 
1 1 1 1   -35 22 o 22.945  3.5394  86.448    21.250    68.779    30.522    103.067   29.602    20.162  5.4996  25.728  4.4570  -5.566639      7.078882 
1 1 1 1   -35 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -35 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -35 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -35 26 o 15.338  5.6427  39.447    30.476    0.0000    0.0000    39.447    30.476    ?       ?       15.338  5.6427  ?              ?        
1 1 1 1   -35 27 o 31.343  2.9356  153.196   24.039    151.824   33.984    154.570   34.007    31.179  4.1741  31.508  4.1290  -0.3292961     5.871277 
1 1 1 1   -35 28 o 14.018  3.6032  30.312    19.037    9.5457    27.972    48.231    25.983    11.444  4.9551  16.593  5.2324  -5.148128      7.206322 
1 1 1 1   -35 29 o 16.389  3.6339  47.827    19.315    25.678    28.551    66.518    26.228    13.162  5.2913  19.615  4.9824  -6.453502      7.267865 
1 1 1 1   -35 30 o 21.083  3.7307  80.471    21.152    70.948    30.711    89.065    29.174    19.455  5.5945  22.710  4.9369  -3.254782      7.461303 
1 1 1 1   -35 31 o 17.286  3.8776  57.515    20.465    48.760    29.799    65.330    28.155    15.880  5.6132  18.693  5.3512  -2.813384      7.755255 
1 1 1 1   -35 32 o 8.4660  2.8351  -17.2605  16.917    -3.7293   25.778    -27.4974  22.421    9.5583  4.3937  7.3737  3.5840  2.184581       5.670104 
1 1 1 1   -34 0  o 21.691  2.9989  71.476    16.756    85.966    24.883    59.454    22.665    23.855  4.0384  19.528  4.4345  4.327524       5.997767 
1 1 1 1   -34 1  o 15.420  3.1698  34.372    14.711    55.843    22.352    17.964    19.539    18.947  4.4757  11.892  4.4898  7.054399       6.339528 
1 1 1 1   -34 2  o 17.952  2.8081  45.060    14.543    88.903    22.595    14.055    19.001    24.680  3.5177  11.225  4.3781  13.45486       5.616184 
1 1 1 1   -34 3  o 10.070  2.8889  7.5579    12.606    -3.5029   19.961    14.897    16.259    9.1434  4.0641  10.996  4.1069  -1.852767      5.777863 
1 1 1 1   -34 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -34 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -34 6  o 19.509  3.0057  61.224    15.618    34.344    23.409    82.786    20.967    15.066  4.9845  23.952  3.3605  -8.886600      6.011500 
1 1 1 1   -34 7  o 18.303  3.1741  51.800    15.399    48.190    23.297    54.601    20.521    17.584  4.8083  19.021  4.1449  -1.437422      6.348214 
1 1 1 1   -34 8  f 30.451  2.4633  133.046   19.667    141.463   29.263    126.113   26.560    31.290  3.5547  29.611  3.4111  1.678431       4.926591 
1 1 1 1   -34 9  o 26.838  2.7004  106.815   18.551    94.181    27.440    117.451   25.177    25.078  4.2360  28.598  3.3504  -3.520008      5.400796 
1 1 1 1   -34 10 o 19.152  3.1285  55.953    15.562    57.000    24.137    55.207    20.359    19.154  4.7323  19.150  4.0932  0.3814697E-02  6.256902 
1 1 1 1   -34 11 o 15.259  3.3584  34.933    15.041    40.720    23.342    30.823    19.669    16.193  4.9353  14.325  4.5562  1.868408       6.716866 
1 1 1 1   -34 12 o 39.724  2.3005  224.565   24.249    233.877   34.929    215.901   33.690    40.529  3.2448  38.920  3.2619  1.609138       4.600951 
1 1 1 1   -34 13 o 22.262  3.0021  74.285    17.213    82.701    25.392    67.129    23.414    23.479  4.1913  21.044  4.2991  2.435135       6.004148 
1 1 1 1   -34 14 o 15.106  3.4111  34.912    15.539    33.229    23.668    36.188    20.600    14.856  5.0136  15.356  4.6266  -0.4998789     6.822157 
1 1 1 1   -34 15 o 14.381  3.2680  30.981    15.195    15.914    22.854    42.919    20.342    12.077  4.7738  16.686  4.4642  -4.608497      6.535911 
1 1 1 1   -34 16 o 14.063  3.2629  29.517    14.843    17.388    22.427    38.972    19.801    12.221  4.7591  15.905  4.4649  -3.684150      6.525734 
1 1 1 1   -34 17 o 38.994  2.3570  218.140   24.344    230.702   34.468    205.638   34.387    40.199  3.2284  37.788  3.4350  2.411484       4.713956 
1 1 1 1   -34 18 o 14.105  3.3392  28.108    15.122    41.065    22.975    18.204    20.086    16.177  4.8888  12.033  4.5499  4.143327       6.678474 
1 1 1 1   -34 19 o 19.539  3.2604  59.333    16.729    62.458    24.924    56.771    22.568    19.945  4.7360  19.133  4.4823  0.8119106      6.520761 
1 1 1 1   -34 20 o 48.273  2.3385  334.500   30.054    335.587   42.573    333.421   42.434    48.352  3.3071  48.195  3.3072  0.1570091      4.676971 
1 1 1 1   -34 21 o 13.909  3.4515  26.086    16.517    42.839    24.878    12.880    22.088    16.362  5.1137  11.455  4.6368  4.906813       6.902902 
1 1 1 1   -34 22 o 20.256  3.4437  65.595    18.453    63.808    26.577    67.258    25.640    19.902  4.9939  20.610  4.7431  -0.7083092     6.887394 
1 1 1 1   -34 23 o 26.380  2.9354  104.950   19.956    120.774   29.438    91.495    27.144    28.353  3.9863  24.406  4.3100  3.947634       5.870820 
1 1 1 1   -34 24 o 9.4514  2.9554  -1.4430   14.757    -8.3166   23.150    3.2612    19.152    9.2637  4.2226  9.6391  4.1362  -0.3754053     5.910861 
1 1 1 1   -34 25 f 30.173  2.9169  139.695   22.311    107.921   31.506    171.660   31.600    26.165  4.6667  34.182  3.5009  -8.016922      5.833856 
1 1 1 1   -34 26 o 25.377  3.1672  100.610   20.649    117.229   29.971    85.591    28.491    27.639  4.1788  23.114  4.7605  4.525753       6.334422 
1 1 1 1   -34 27 o 14.249  3.5138  30.139    17.107    45.380    25.121    16.960    23.360    16.512  5.1351  11.987  4.7978  4.524138       7.027647 
1 1 1 1   -34 28 o 15.184  3.7315  37.499    18.556    43.509    27.527    32.492    25.123    16.047  5.4069  14.320  5.1442  1.727407       7.463070 
1 1 1 1   -34 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -34 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -34 31 o 16.912  3.6605  51.067    19.595    29.162    29.202    69.009    26.428    13.705  5.4029  20.120  4.9402  -6.415357      7.320981 
1 1 1 1   -34 32 o 16.340  3.8418  48.834    19.668    47.278    29.111    50.141    26.677    16.029  5.5562  16.651  5.3073  -0.6216335     7.683688 
1 1 1 1   -34 33 o 35.227  2.7987  196.204   25.899    208.418   38.118    185.730   35.297    36.192  3.9990  34.263  3.9165  1.928745       5.597421 
1 1 1 1   -34 34 o 10.843  3.3422  5.6481    18.619    25.499    28.307    -9.4882   24.718    12.699  5.2077  8.9883  4.1906  3.710249       6.684445 
1 1 1 1   -34 35 o 35.459  2.9285  208.944   27.227    226.719   39.563    192.950   37.528    37.032  4.0549  33.887  4.2264  3.144638       5.857034 
1 1 1 1   -33 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -33 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -33 2  o 21.071  2.8219  65.033    15.268    81.843    22.852    51.479    20.520    23.678  3.7265  18.465  4.2386  5.212086       5.643803 
1 1 1 1   -33 3  o 16.768  3.1883  43.230    14.631    39.455    22.135    46.159    19.497    16.052  4.7868  17.485  4.2128  -1.433475      6.376663 
1 1 1 1   -33 4  o 24.630  2.6712  89.765    16.766    76.978    24.711    100.673   22.823    22.711  4.2176  26.549  3.2791  -3.838295      5.342368 
1 1 1 1   -33 5  o 34.155  2.3339  165.449   20.735    203.492   30.271    131.821   28.461    38.047  2.9946  30.263  3.5805  7.783764       4.667741 
1 1 1 1   -33 6  o 16.215  3.0227  40.802    13.978    24.382    20.946    53.988    18.769    13.293  4.7053  19.138  3.7956  -5.845212      6.045366 
1 1 1 1   -33 7  o 26.212  2.5503  98.482    17.335    112.880   25.666    86.405    23.507    28.043  3.4927  24.381  3.7173  3.662764       5.100700 
1 1 1 1   -33 8  o 23.448  2.7596  79.888    16.640    87.897    25.115    73.622    22.216    24.475  3.9669  22.422  3.8372  2.053122       5.519105 
1 1 1 1   -33 9  o 21.859  2.9639  70.479    16.670    79.536    24.863    63.082    22.469    23.169  4.1592  20.548  4.2236  2.620985       5.927719 
1 1 1 1   -33 10 o 39.120  2.2455  215.352   23.281    233.896   33.693    198.408   32.206    40.778  3.1082  37.462  3.2416  3.316032       4.490961 
1 1 1 1   -33 11 o 18.413  2.8988  48.990    14.507    79.390    21.978    25.519    19.311    23.422  3.6200  13.404  4.5287  10.01816       5.797694 
1 1 1 1   -33 12 o 54.026  2.1922  409.338   31.583    421.071   45.050    397.996   44.291    54.804  3.0814  53.248  3.1190  1.555988       4.384480 
1 1 1 1   -33 13 o 40.580  2.2569  232.298   24.315    225.875   34.667    238.516   34.113    39.978  3.2660  41.183  3.1156  -1.205296      4.513722 
1 1 1 1   -33 14 o 46.596  2.2026  305.054   27.198    343.086   39.027    269.140   37.925    49.539  2.9547  43.653  3.2673  5.886635       4.405146 
1 1 1 1   -33 15 o 21.556  2.9101  69.249    16.125    64.760    23.673    73.135    22.025    20.746  4.3969  22.366  3.8133  -1.620089      5.820126 
1 1 1 1   -33 16 o 34.313  2.4251  169.081   21.615    138.092   30.543    200.169   30.592    30.902  3.7682  37.724  3.0538  -6.822433      4.850266 
1 1 1 1   -33 17 o 21.723  3.0034  70.889    16.806    64.889    24.387    76.316    23.193    20.675  4.5290  22.770  3.9457  -2.094427      6.006701 
1 1 1 1   -33 18 o 9.4201  2.8926  -0.1707   13.381    2.5442    20.746    -2.1044   17.509    10.060  4.3105  8.7805  3.8586  1.279358       5.785295 
1 1 1 1   -33 19 o 26.393  2.7605  102.128   18.872    111.571   26.983    93.085    26.403    27.702  3.7315  25.085  4.0691  2.616985       5.521061 
1 1 1 1   -33 20 o 22.558  3.0516  84.555    18.515    25.310    26.848    138.284   25.568    13.892  5.2584  31.224  3.0980  -17.33216      6.103170 
1 1 1 1   -33 21 o 15.491  3.4637  36.862    16.078    36.017    23.717    37.581    21.870    15.355  5.0141  15.627  4.7800  -0.2719841     6.927461 
1 1 1 1   -33 22 o 20.210  3.2991  63.645    17.487    59.715    25.648    67.059    23.904    19.470  4.9170  20.950  4.4000  -1.480125      6.598247 
1 1 1 1   -33 23 o 35.601  2.5350  186.073   23.200    227.492   32.764    144.419   32.857    40.007  3.0812  31.194  4.0264  8.813175       5.070084 
1 1 1 1   -33 24 o 15.256  3.5612  36.143    16.902    38.212    24.259    34.192    23.562    15.605  5.0699  14.907  5.0025  0.6984291      7.122421 
1 1 1 1   -33 25 o 11.687  3.2822  14.832    15.466    9.9491    22.724    19.045    21.108    11.160  4.6302  12.214  4.6531  -1.053926      6.564322 
1 1 1 1   -33 26 o 34.227  2.5585  172.363   23.037    161.299   32.730    183.227   32.432    33.002  3.7704  35.453  3.4594  -2.451370      5.116926 
1 1 1 1   -33 27 o 10.078  3.0780  1.4756    15.177    11.241    23.280    -5.7438   20.016    11.330  4.6922  8.8271  3.9848  2.502404       6.155930 
1 1 1 1   -33 28 o 14.839  3.3866  32.027    17.180    56.106    24.563    8.9665    24.037    18.550  4.8784  11.127  4.6988  7.423100       6.773298 
1 1 1 1   -33 29 o 24.337  3.2403  95.390    20.157    76.552    29.237    112.457   27.829    21.461  5.1517  27.213  3.9319  -5.752840      6.480696 
1 1 1 1   -33 30 o 20.688  3.4445  71.531    19.095    53.484    27.552    88.211    26.487    17.675  5.3564  23.701  4.3320  -6.026260      6.888909 
1 1 1 1   -33 31 o 13.389  3.5386  26.483    17.034    32.549    25.575    21.646    22.836    14.276  5.1816  12.501  4.8207  1.774890       7.077264 
1 1 1 1   -33 32 o 11.444  5.1959  -1.3255   34.615    -1.3255   34.615    0.0000    0.0000    11.444  5.1959  ?       ?       ?              ?        
1 1 1 1   -33 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -33 34 o 34.255  2.8236  183.658   25.339    202.489   36.912    166.877   34.846    36.051  3.8840  32.458  4.0996  3.592808       5.647283 
1 1 1 1   -33 35 o 21.712  3.6153  85.691    20.983    67.323    30.743    101.711   28.711    18.733  5.6537  24.691  4.5073  -5.958042      7.230540 
1 1 1 1   -33 36 o 25.022  3.4075  109.629   21.975    107.646   31.889    111.423   30.324    24.549  5.0191  25.495  4.6102  -0.9461956     6.815065 
1 1 1 1   -33 37 o 18.230  3.8923  67.359    20.619    65.726    29.699    68.877    28.647    17.872  5.5876  18.587  5.4203  -0.7144012     7.784620 
1 1 1 1   -32 0  o 16.771  3.0140  43.616    14.449    23.043    21.354    60.993    19.625    13.122  4.7390  20.420  3.7253  -7.297988      6.027932 
1 1 1 1   -32 1  o 12.880  3.0358  23.505    12.501    17.109    18.781    28.593    16.751    11.842  4.4157  13.919  4.1672  -2.076236      6.071552 
1 1 1 1   -32 2  o 39.259  2.1481  215.945   22.385    230.144   32.117    202.530   31.217    40.554  2.9776  37.965  3.0969  2.589684       4.296124 
1 1 1 1   -32 3  o 23.634  2.7051  80.800    16.268    103.864   23.978    61.129    22.144    26.996  3.3909  20.272  4.2156  6.723459       5.410127 
1 1 1 1   -32 4  o 14.008  3.1298  28.276    13.040    31.213    19.949    26.085    17.231    14.575  4.5832  13.441  4.2634  1.133354       6.259510 
1 1 1 1   -32 5  o 33.958  2.2062  161.356   19.798    176.317   28.804    147.959   27.256    35.486  3.0604  32.431  3.1786  3.054996       4.412457 
1 1 1 1   -32 6  o 10.083  2.7771  9.5951    11.051    1.8267    17.478    14.769    14.264    9.3315  3.9763  10.835  3.8778  -1.503201      5.554153 
1 1 1 1   -32 7  o 37.164  2.2022  193.262   21.690    190.463   31.329    195.839   30.059    36.857  3.2054  37.470  3.0208  -0.6127968     4.404484 
1 1 1 1   -32 8  o 73.506  2.2529  751.141   44.335    785.264   63.454    718.596   61.969    75.166  3.1518  71.847  3.2202  3.318886       4.505891 
1 1 1 1   -32 9  o 10.427  2.8584  9.0636    12.223    -4.7171   18.926    18.926    16.010    8.9216  3.9618  11.932  4.1214  -3.010151      5.716816 
1 1 1 1   -32 10 o 55.912  2.1394  433.723   31.913    446.485   45.529    421.397   44.745    56.734  3.0068  55.090  3.0442  1.644932       4.278775 
1 1 1 1   -32 11 o 27.246  2.5738  106.039   18.234    100.872   26.495    110.688   25.132    26.514  3.8427  27.978  3.4252  -1.464310      5.147665 
1 1 1 1   -32 12 o 43.908  2.1438  267.802   25.010    289.162   35.781    247.396   34.972    45.674  2.9405  42.143  3.1204  3.531021       4.287584 
1 1 1 1   -32 13 o 24.159  2.6757  83.189    16.607    99.862    24.559    69.143    22.541    26.510  3.5477  21.809  4.0064  4.701080       5.351432 
1 1 1 1   -32 14 o 7.8733  2.4051  -8.0474   10.845    -34.8582  17.508    8.6452    13.815    6.1651  3.0321  9.5815  3.7341  -3.416414      4.810123 
1 1 1 1   -32 15 o 17.449  3.2214  45.069    15.247    52.157    22.424    38.974    20.794    18.700  4.5257  16.197  4.5857  2.503187       6.442823 
1 1 1 1   -32 16 o 20.671  3.0140  63.452    16.124    53.957    23.173    72.366    22.451    18.988  4.6039  22.353  3.8911  -3.365278      6.027962 
1 1 1 1   -32 17 f 32.217  2.3451  146.152   19.901    157.494   28.352    135.137   27.940    33.515  3.1971  30.919  3.4316  2.596029       4.690170 
1 1 1 1   -32 18 o 52.704  2.1765  386.971   30.582    394.303   43.084    379.524   43.417    53.238  3.0340  52.171  3.1213  1.066807       4.352905 
1 1 1 1   -32 19 o 21.301  3.0355  67.022    16.881    101.298   24.961    38.131    22.917    26.620  3.5926  15.982  4.8938  10.63747       6.070924 
1 1 1 1   -32 20 o 10.189  2.9744  4.8820    13.246    13.001    20.089    -1.3617   17.618    11.427  4.4888  8.9512  3.9036  2.476137       5.948776 
1 1 1 1   -32 21 f 10.745  3.0759  7.2527    14.004    17.431    20.925    -1.0035   18.846    12.214  4.6378  9.2762  4.0416  2.938056       6.151722 
1 1 1 1   -32 22 o 63.035  2.2078  555.686   37.268    554.251   52.153    557.183   53.274    62.978  3.0917  63.092  3.1525  -0.1142044     4.415543 
1 1 1 1   -32 23 o 25.466  2.8971  96.037    18.893    79.770    26.617    112.557   26.823    23.023  4.4774  27.909  3.6777  -4.886187      5.794183 
1 1 1 1   -32 24 o 36.913  2.3758  194.366   23.194    205.197   32.754    183.473   32.848    38.025  3.2471  35.802  3.4689  2.223129       4.751537 
1 1 1 1   -32 25 o 12.062  3.2951  16.737    15.076    19.625    22.297    14.306    20.462    12.583  4.7852  11.541  4.5313  1.042837       6.590146 
1 1 1 1   -32 26 o 26.308  2.8855  103.209   19.663    102.064   28.160    104.299   27.469    26.108  4.1669  26.508  3.9926  -0.4000111     5.770979 
1 1 1 1   -32 27 o 11.787  3.1566  10.930    15.046    33.435    22.577    -7.0517   20.180    14.766  4.8955  8.8075  3.9862  5.958930       6.313107 
1 1 1 1   -32 28 o 37.883  2.4284  208.823   24.275    195.512   34.933    221.253   33.756    36.550  3.6157  39.217  3.2427  -2.667469      4.856775 
1 1 1 1   -32 29 o 10.468  3.1265  5.6933    15.371    -2.9733   22.443    13.351    21.096    9.6222  4.2910  11.313  4.5482  -1.690917      6.252905 
1 1 1 1   -32 30 o 31.102  2.6993  145.707   21.768    130.333   31.566    159.649   30.058    29.224  4.1490  32.980  3.4539  -3.755444      5.398533 
1 1 1 1   -32 31 o 39.760  2.5003  234.239   26.208    213.707   37.442    253.964   36.698    37.813  3.7461  41.707  3.3124  -3.893921      5.000521 
1 1 1 1   -32 32 o 9.4738  3.0031  -3.3636   15.878    -10.8841  24.132    2.3776    21.085    9.1448  4.2209  9.8028  4.2729  -0.6579828     6.006105 
1 1 1 1   -32 33 f 33.350  2.6593  168.260   23.318    170.332   33.764    166.371   32.242    33.473  3.8352  33.227  3.6848  0.2462921      5.318518 
1 1 1 1   -32 34 o 22.125  3.4317  80.958    20.137    112.646   29.759    54.197    27.348    26.665  4.3140  17.584  5.3382  9.081192       6.863425 
1 1 1 1   -32 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -32 36 o 16.833  3.7957  52.140    19.709    41.789    28.670    61.415    27.139    15.197  5.4907  18.469  5.2422  -3.272489      7.591381 
1 1 1 1   -32 37 o 7.7377  2.6368  -24.6992  16.308    -30.2889  23.396    -19.4175  22.743    7.4825  3.6424  7.9929  3.8135  -0.5103712     5.273538 
1 1 1 1   -32 38 o 12.879  3.5066  25.634    18.604    4.7219    26.538    45.846    26.090    10.340  4.6347  15.418  5.2636  -5.077276      7.013244 
1 1 1 1   -32 39 o 27.462  3.3107  134.730   23.375    150.835   33.429    119.322   32.697    29.546  4.3548  25.378  4.9879  4.167166       6.621475 
1 1 1 1   -31 0  o 13.003  2.6912  23.384    11.527    3.5259    17.117    39.867    15.594    9.4758  3.9813  16.530  3.6222  -7.053982      5.382440 
1 1 1 1   -31 1  o 26.997  2.4832  104.975   17.204    87.640    24.864    120.897   23.829    24.621  3.9003  29.373  3.0744  -4.751646      4.966324 
1 1 1 1   -31 2  o 29.031  2.2797  118.444   17.422    117.641   24.893    119.215   24.391    28.914  3.2719  29.149  3.1755  -0.2350521     4.559484 
1 1 1 1   -31 3  o 26.738  2.3928  101.261   16.678    94.066    23.963    108.021   23.226    25.724  3.5745  27.753  3.1820  -2.029137      4.785635 
1 1 1 1   -31 4  o 39.594  2.1611  217.843   22.434    263.024   32.435    176.401   31.064    43.672  2.7873  35.516  3.3034  8.156727       4.322182 
1 1 1 1   -31 5  o 46.136  2.0884  293.953   25.663    303.202   36.767    285.166   35.837    46.850  2.9449  45.422  2.9619  1.428009       4.176743 
1 1 1 1   -31 6  o 23.685  2.5462  79.704    15.619    79.112    22.680    80.237    21.542    23.557  3.7177  23.814  3.4800  -0.2568073     5.092320 
1 1 1 1   -31 7  o 33.802  2.2232  158.598   19.728    184.949   28.559    134.548   27.284    36.582  2.9395  31.022  3.3360  5.559719       4.446313 
1 1 1 1   -31 8  o 25.009  2.5544  88.568    16.582    87.468    24.096    89.557    22.854    24.811  3.7423  25.206  3.4777  -0.3953953     5.108725 
1 1 1 1   -31 9  o 20.495  2.7886  60.240    14.733    67.090    21.533    54.210    20.202    21.639  3.8565  19.350  4.0289  2.289616       5.577102 
1 1 1 1   -31 10 o 47.957  2.0828  317.027   26.589    302.247   37.881    331.379   37.328    46.809  3.0378  49.106  2.8503  -2.296452      4.165630 
1 1 1 1   -31 11 f 29.345  2.3758  121.227   18.092    102.201   25.702    139.912   25.471    26.907  3.6614  31.784  3.0286  -4.877022      4.751647 
1 1 1 1   -31 12 o 7.5446  2.4291  -9.0527   10.473    -4.5794   16.923    -11.8294  13.333    8.4805  3.7571  6.6088  3.0800  1.871775       4.858230 
1 1 1 1   -31 13 o 6.7524  2.1958  -12.1873  9.6818    -28.5729  15.502    -1.7087   12.397    5.9751  2.9208  7.5297  3.2794  -1.554576      4.391532 
1 1 1 1   -31 14 o 31.395  2.3440  137.463   19.404    135.641   27.715    139.215   27.176    31.167  3.3738  31.623  3.2549  -0.4561882     4.687984 
1 1 1 1   -31 15 o 20.590  2.8269  61.376    14.989    57.327    21.837    64.984    20.612    19.850  4.2361  21.330  3.7443  -1.479605      5.653708 
1 1 1 1   -31 16 o 29.588  2.4233  123.026   18.627    143.610   26.617    103.271   26.076    32.155  3.1301  27.020  3.7002  5.135555       4.846576 
1 1 1 1   -31 17 o 13.793  3.1767  26.516    13.473    24.947    19.719    27.891    18.452    13.553  4.5763  14.033  4.4071  -0.4793816     6.353371 
1 1 1 1   -31 18 o 37.744  2.2436  198.204   22.412    183.566   31.774    212.698   31.618    36.290  3.3051  39.199  3.0350  -2.909538      4.487216 
1 1 1 1   -31 19 o 24.483  2.7664  87.622    17.154    69.585    25.010    103.646   23.574    21.789  4.4361  27.177  3.3066  -5.387922      5.532839 
1 1 1 1   -31 20 o 55.220  2.1360  421.696   31.421    391.901   44.061    452.526   44.821    53.180  3.1068  57.260  2.9322  -4.080627      4.272018 
1 1 1 1   -31 21 o 66.798  2.1858  617.594   39.070    642.071   54.945    592.560   55.568    68.193  3.0081  65.402  3.1721  2.791870       4.371625 
1 1 1 1   -31 22 o 32.311  2.3786  146.858   20.237    135.511   28.360    158.628   28.885    30.975  3.4784  33.647  3.2453  -2.672190      4.757240 
1 1 1 1   -31 23 o 28.624  2.6093  118.070   19.093    93.063    26.942    143.301   27.063    25.296  4.1181  31.953  3.2053  -6.657047      5.218536 
1 1 1 1   -31 24 o 10.927  3.0879  10.130    13.864    2.6283    21.409    15.548    18.194    10.298  4.3948  11.556  4.3388  -1.258110      6.175750 
1 1 1 1   -31 25 o 14.162  3.2571  26.276    15.167    44.761    22.369    10.545    20.636    17.178  4.7174  11.146  4.4922  6.032124       6.514132 
1 1 1 1   -31 26 o 25.175  2.8513  92.455    18.432    110.256   27.056    77.037    25.180    27.606  3.7566  22.745  4.2905  4.861231       5.702640 
1 1 1 1   -31 27 f 12.724  3.2036  20.610    14.800    4.8824    22.355    32.883    19.747    10.652  4.5165  14.797  4.5447  -4.144780      6.407265 
1 1 1 1   -31 28 o 13.892  3.0863  25.824    15.035    0.3582    21.982    48.210    20.610    10.022  4.3657  17.762  4.3636  -7.740529      6.172526 
1 1 1 1   -31 29 o 16.777  3.3696  43.346    16.505    60.110    23.869    27.985    22.848    19.665  4.6114  13.889  4.9146  5.776501       6.739296 
1 1 1 1   -31 30 o 18.741  3.3512  55.140    16.942    66.475    24.839    45.280    23.166    20.611  4.6143  16.871  4.8611  3.740320       6.702418 
1 1 1 1   -31 31 f 15.087  3.4123  35.842    16.270    22.884    23.914    47.010    22.201    13.011  4.9537  17.162  4.6941  -4.151141      6.824520 
1 1 1 1   -31 32 o 23.130  3.1577  83.460    18.814    124.531   28.041    49.836    25.372    28.899  3.7082  17.361  5.1120  11.53788       6.315325 
1 1 1 1   -31 33 o 14.593  2.6324  17.759    16.643    -49.5918  24.495    75.520    22.684    6.9954  3.4671  22.190  3.9619  -15.19498      5.264719 
1 1 1 1   -31 34 o 24.774  3.1753  97.785    20.229    95.417    29.650    99.848    27.668    24.276  4.7300  25.272  4.2374  -0.9956036     6.350508 
1 1 1 1   -31 35 o 12.357  3.3838  20.138    16.465    9.6967    23.636    29.983    22.950    10.976  4.6484  13.737  4.9186  -2.761659      6.767611 
1 1 1 1   -31 36 o 9.3355  2.9870  -4.1982   15.998    -2.1170   23.198    -6.0857   22.091    9.6194  4.3208  9.0516  4.1255  0.5677996      5.974054 
1 1 1 1   -31 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -31 38 o 17.533  3.6252  56.115    20.115    28.071    28.874    82.560    28.039    13.271  5.3260  21.796  4.9195  -8.524943      7.250406 
1 1 1 1   -31 39 o 14.781  3.7459  40.436    19.367    28.173    27.163    53.117    27.621    12.984  5.1815  16.579  5.4109  -3.594931      7.491717 
1 1 1 1   -31 40 o 13.700  3.3093  25.448    18.834    67.104    26.664    -16.0277  26.606    18.688  5.1579  8.7116  4.1476  9.976796       6.618677 
1 1 1 1   -30 0  o 17.069  2.9535  43.386    13.543    33.633    19.989    51.663    18.413    15.214  4.5515  18.924  3.7651  -3.710595      5.907008 
1 1 1 1   -30 1  o 45.576  2.0852  286.380   25.314    291.770   36.189    281.216   35.422    45.996  2.9531  45.157  2.9448  0.8390999      4.170402 
1 1 1 1   -30 2  o 60.201  2.1125  498.356   33.986    486.333   48.378    510.072   47.755    59.416  3.0501  60.985  2.9235  -1.568962      4.224944 
1 1 1 1   -30 3  o 29.253  2.2683  119.555   17.359    106.321   24.711    132.447   24.390    27.557  3.4215  30.950  2.9789  -3.392769      4.536570 
1 1 1 1   -30 4  o 32.928  2.1672  149.827   18.869    159.684   26.965    140.369   26.414    34.022  2.9894  31.834  3.1386  2.187994       4.334432 
1 1 1 1   -30 5  o 33.217  2.1450  152.208   18.870    155.167   27.036    149.396   26.349    33.531  3.0434  32.903  3.0236  0.6280746      4.290066 
1 1 1 1   -30 6  f 60.668  2.0561  502.755   33.403    504.956   47.810    500.656   46.688    60.786  2.9365  60.550  2.8787  0.2357178      4.112163 
1 1 1 1   -30 7  o 76.077  2.2164  792.214   45.152    814.993   64.684    770.567   63.056    77.145  3.1304  75.008  3.1386  2.136360       4.432847 
1 1 1 1   -30 8  o 45.249  2.0835  280.647   25.107    281.108   35.937    280.208   35.091    45.274  2.9802  45.225  2.9123  0.4905701E-01  4.166905 
1 1 1 1   -30 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 22 o 33.007  2.3177  151.823   20.165    139.953   28.418    163.862   28.619    31.645  3.4064  34.368  3.1437  -2.723705      4.635372 
1 1 1 1   -30 23 o 33.168  2.3281  153.886   20.338    143.481   29.134    163.776   28.403    31.996  3.4544  34.340  3.1221  -2.344442      4.656185 
1 1 1 1   -30 24 o 36.682  2.2257  187.179   21.616    173.785   30.322    201.020   30.824    35.297  3.2435  38.067  3.0487  -2.769966      4.451372 
1 1 1 1   -30 25 o 11.776  3.1476  15.399    13.659    12.070    19.472    18.624    19.165    11.261  4.4207  12.290  4.4818  -1.028605      6.295138 
1 1 1 1   -30 26 o 18.120  3.1617  49.920    15.780    31.969    22.940    66.044    21.742    14.932  4.9340  21.309  3.9549  -6.377277      6.323381 
1 1 1 1   -30 27 o 13.448  3.2986  24.233    14.663    31.026    21.251    18.060    20.257    14.628  4.7448  12.268  4.5837  2.359778       6.597189 
1 1 1 1   -30 28 o 14.003  3.4228  26.720    15.720    34.892    23.388    19.984    21.231    15.349  4.9774  12.657  4.6997  2.691457       6.845619 
1 1 1 1   -30 29 o 23.798  2.9841  83.828    18.290    88.526    26.905    79.791    24.940    24.402  4.2721  23.195  4.1675  1.206919       5.968122 
1 1 1 1   -30 30 o 9.8686  2.9932  2.3692    14.078    3.2107    21.255    1.7116    18.790    10.216  4.3699  9.5208  4.0915  0.6955347      5.986372 
1 1 1 1   -30 31 o 8.5370  2.7521  -9.8363   13.879    -3.3312   20.758    -15.0950  18.664    9.3382  4.1479  7.7358  3.6182  1.602427       5.504211 
1 1 1 1   -30 32 o 12.486  3.3609  20.094    15.553    18.491    23.111    21.421    21.027    12.372  4.8276  12.600  4.6774  -0.2272043     6.721828 
1 1 1 1   -30 33 o 15.268  3.5177  37.191    16.612    32.732    24.506    40.982    22.595    14.549  5.0947  15.987  4.8519  -1.438454      7.035448 
1 1 1 1   -30 34 o 19.252  3.3752  59.734    17.586    75.953    25.649    45.342    24.160    21.907  4.5211  16.597  5.0127  5.309206       6.750336 
1 1 1 1   -30 35 o 8.9086  2.7773  -11.6490  14.606    -38.4878  20.967    13.649    20.357    6.7005  3.2998  11.117  4.4683  -4.416219      5.554671 
1 1 1 1   -30 36 o 14.131  3.4845  30.093    17.613    10.832    25.125    48.703    24.697    11.326  4.7945  16.936  5.0576  -5.609546      6.968936 
1 1 1 1   -30 37 o 12.459  3.3477  16.870    17.337    40.818    24.664    -6.5225   24.376    15.464  5.1163  9.4547  4.3186  6.008975       6.695315 
1 1 1 1   -30 38 o 10.274  3.5319  -21.3608  21.958    -21.9997  24.069    -18.1922  53.604    8.2156  3.9207  12.332  5.8758  -4.116795      7.063825 
1 1 1 1   -30 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -30 40 o 8.8682  2.9221  -10.7822  17.101    -3.2339   23.907    -18.6912  24.472    9.3896  4.2843  8.3469  3.9750  1.042732       5.844287 
1 1 1 1   -30 41 o 13.366  3.5698  29.184    19.036    7.4543    26.404    52.702    27.469    10.497  4.6696  16.235  5.4007  -5.738393      7.139557 
1 1 1 1   -30 42 o 11.562  3.4077  18.131    18.521    -0.0544   25.756    37.602    26.651    9.5365  4.3867  13.588  5.2161  -4.051382      6.815488 
1 1 1 1   -29 0  o 30.804  2.1338  131.053   17.374    129.387   24.767    132.666   24.377    30.595  3.0635  31.012  2.9711  -0.4167366     4.267592 
1 1 1 1   -29 1  o 41.589  2.0488  237.190   22.674    233.988   32.307    240.298   31.829    41.297  2.9399  41.881  2.8544  -0.5839005     4.097670 
1 1 1 1   -29 2  o 13.180  2.9188  23.995    11.665    17.818    17.080    29.395    15.969    12.006  4.2490  14.353  4.0029  -2.347407      5.837559 
1 1 1 1   -29 3  o 73.154  2.6699  749.645   49.539    701.266   82.614    776.808   61.904    70.868  4.3736  75.439  3.0636  -4.570206      5.339865 
1 1 1 1   -29 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -29 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -29 6  o 62.522  2.0671  531.488   34.608    547.442   49.476    516.205   48.426    63.445  2.9115  61.600  2.9350  1.844303       4.134129 
1 1 1 1   -29 7  o 74.888  2.1688  763.446   43.481    797.499   62.068    730.628   60.931    76.543  3.0274  73.233  3.1063  3.310471       4.337533 
1 1 1 1   -29 8  o 51.992  2.0221  368.170   28.048    374.637   40.086    361.967   39.258    52.439  2.8648  51.545  2.8546  0.8938141      4.044230 
1 1 1 1   -29 9  o 55.198  2.0396  414.951   30.049    420.186   42.725    409.827   42.269    55.544  2.8817  54.851  2.8872  0.6926155      4.079251 
1 1 1 1   -29 10 o 39.075  2.0673  208.869   21.436    194.930   30.369    222.709   30.261    37.739  3.0299  40.412  2.8132  -2.672382      4.134521 
1 1 1 1   -29 11 o 35.086  2.1190  168.557   19.723    168.581   27.892    168.532   27.892    35.089  2.9965  35.083  2.9969  0.5195618E-02  4.237958 
1 1 1 1   -29 12 f 70.242  2.1408  671.164   40.277    668.871   56.889    673.469   57.033    70.121  3.0289  70.363  3.0262  -0.2415771     4.281612 
1 1 1 1   -29 13 o 55.821  2.0376  424.365   30.361    424.057   42.776    424.677   43.099    55.804  2.8716  55.838  2.8916  -0.3444672E-01 4.075194 
1 1 1 1   -29 14 o 50.488  2.0318  347.409   27.358    350.802   38.487    343.942   38.897    50.747  2.8429  50.228  2.9036  0.5183830      4.063630 
1 1 1 1   -29 15 o 14.303  2.9385  28.393    12.567    15.801    18.028    40.296    17.528    11.816  4.3410  16.789  3.9617  -4.972641      5.876998 
1 1 1 1   -29 16 o 17.323  3.0076  42.576    14.126    57.063    20.634    29.796    19.380    20.026  3.9869  14.620  4.5043  5.406504       6.015280 
1 1 1 1   -29 17 o 29.523  2.3214  120.622   17.984    110.334   25.389    130.984   25.479    28.202  3.4318  30.845  3.1272  -2.643091      4.642870 
1 1 1 1   -29 18 o 40.160  2.0385  220.507   21.761    232.721   30.979    208.611   30.574    41.281  2.8186  39.038  2.9456  2.242188       4.076931 
1 1 1 1   -29 19 o 40.611  2.0773  225.674   22.428    214.751   31.394    237.060   32.052    39.589  2.9825  41.633  2.8923  -2.043266      4.154578 
1 1 1 1   -29 20 o 56.802  2.0560  440.736   31.180    459.337   43.750    421.536   44.449    58.091  2.8117  55.512  3.0006  2.579605       4.112088 
1 1 1 1   -29 21 o 39.014  2.1041  210.645   21.538    245.089   30.304    175.487   30.617    42.369  2.6842  35.658  3.2410  6.710285       4.208244 
1 1 1 1   -29 22 o 39.641  2.1209  216.206   22.310    228.922   31.416    203.268   31.688    40.861  2.8891  38.421  3.1057  2.439476       4.241755 
1 1 1 1   -29 23 o 45.077  2.0735  278.960   24.888    283.173   34.898    274.600   35.505    45.443  2.8820  44.711  2.9819  0.7325745      4.146988 
1 1 1 1   -29 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -29 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -29 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -29 27 o 48.647  2.1333  328.648   27.515    294.492   39.152    361.979   38.677    46.038  3.1948  51.257  2.8281  -5.219051      4.266686 
1 1 1 1   -29 28 o 22.722  2.8699  74.851    16.812    79.694    24.310    70.412    23.276    23.460  4.0130  21.984  4.1039  1.475800       5.739841 
1 1 1 1   -29 29 o 13.272  3.2776  23.846    14.331    22.264    21.265    25.162    19.398    13.101  4.7295  13.443  4.5389  -0.3418350     6.555162 
1 1 1 1   -29 30 o 22.904  2.9685  78.897    17.323    62.165    25.241    93.793    23.816    20.239  4.7397  25.569  3.5753  -5.330248      5.936979 
1 1 1 1   -29 31 o 47.814  2.1998  322.331   27.913    304.184   40.399    338.909   38.612    46.399  3.2716  49.229  2.9417  -2.830196      4.399653 
1 1 1 1   -29 32 o 14.679  3.4477  32.084    15.794    33.436    23.299    30.934    21.485    14.932  4.9742  14.426  4.7753  0.5051804      6.895359 
1 1 1 1   -29 33 o 21.570  3.1190  71.031    17.388    75.377    25.470    67.238    23.795    22.184  4.4414  20.957  4.3802  1.226994       6.237978 
1 1 1 1   -29 34 o 10.361  3.0950  6.0966    14.739    7.1653    21.370    5.1269    20.355    10.580  4.4469  10.143  4.3058  0.4365730      6.189912 
1 1 1 1   -29 35 o 21.680  3.3033  74.928    18.634    67.384    26.384    82.436    26.320    20.395  4.8926  22.965  4.4394  -2.570787      6.606513 
1 1 1 1   -29 36 o 23.345  3.2785  88.814    19.764    59.774    27.881    118.143   28.020    18.750  5.3105  27.940  3.8461  -9.189926      6.556981 
1 1 1 1   -29 37 o 34.233  2.6473  177.140   23.840    186.254   33.713    168.024   33.717    35.241  3.6232  33.226  3.8606  2.014729       5.294510 
1 1 1 1   -29 38 o 14.945  3.6847  37.526    18.362    44.905    25.762    29.906    26.179    16.114  5.2238  13.777  5.1979  2.336976       7.369306 
1 1 1 1   -29 39 o 10.350  3.1968  3.6382    16.956    -4.2893   23.634    12.046    24.339    9.4670  4.2963  11.233  4.7351  -1.766475      6.393693 
1 1 1 1   -29 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -29 41 o 8.7942  2.8979  -16.9711  17.256    -37.3114  23.783    5.6424    25.077    7.1999  3.5396  10.389  4.5894  -3.188643      5.795784 
1 1 1 1   -29 42 o 9.7144  3.1263  -1.4651   17.976    -10.3826  24.777    8.4453    26.120    8.8455  4.1472  10.583  4.6792  -1.737680      6.252550 
1 1 1 1   -29 43 o 11.097  3.4452  15.362    19.663    17.222    28.698    13.717    26.995    11.322  4.9586  10.873  4.7844  0.4488401      6.890415 
1 1 1 1   -28 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -28 1  o 83.470  2.3094  950.398   51.625    972.022   73.450    929.285   72.576    84.417  3.2484  82.524  3.2834  1.892860       4.618746 
1 1 1 1   -28 2  o 60.041  2.0444  489.552   32.872    487.963   46.868    491.090   46.118    59.937  2.9194  60.145  2.8627  -0.2079582     4.088781 
1 1 1 1   -28 3  o 16.337  2.6919  38.086    11.567    35.415    16.674    40.563    16.060    15.763  3.9557  16.912  3.6522  -1.148789      5.383871 
1 1 1 1   -28 4  o 21.696  2.3626  65.709    13.137    78.796    18.897    53.466    18.276    23.907  3.0183  19.485  3.6356  4.422197       4.725163 
1 1 1 1   -28 5  o 41.754  1.9945  237.383   22.162    234.677   31.750    239.954   30.950    41.508  2.8735  41.999  2.7667  -0.4913864     3.988945 
1 1 1 1   -28 6  o 27.266  2.1473  102.306   15.244    120.044   21.895    85.619    21.237    29.643  2.7904  24.888  3.2645  4.755486       4.294522 
1 1 1 1   -28 7  o 77.299  2.1652  810.865   44.824    827.290   63.926    794.980   62.868    78.070  3.0571  76.527  3.0671  1.543053       4.330412 
1 1 1 1   -28 8  o 126.104 2.8382  2178.38   95.858    2209.27   136.502   2148.32   134.646   126.986 4.0132  125.221 4.0144  1.764633       5.676415 
1 1 1 1   -28 9  o 29.315  2.1764  117.837   16.814    124.979   24.008    110.961   23.556    30.212  3.0067  28.419  3.1474  1.792921       4.352759 
1 1 1 1   -28 10 o 81.829  2.2232  909.223   48.727    916.480   69.233    902.099   68.592    82.151  3.1463  81.506  3.1419  0.6455536      4.446493 
1 1 1 1   -28 11 o 77.493  2.1757  815.071   45.156    804.040   63.933    826.051   63.788    76.962  3.1014  78.025  3.0522  -1.062782      4.351418 
1 1 1 1   -28 12 o 57.508  2.0364  448.838   31.279    424.845   44.055    473.227   44.417    55.903  2.9527  59.114  2.8052  -3.211372      4.072795 
1 1 1 1   -28 13 o 43.594  2.0157  258.641   23.394    262.125   32.686    254.983   33.496    43.910  2.7937  43.279  2.9064  0.6312675      4.031359 
1 1 1 1   -28 14 o 62.661  2.0305  531.988   34.063    509.263   47.767    555.500   48.587    61.290  2.9097  64.032  2.8329  -2.742100      4.061026 
1 1 1 1   -28 15 f 34.168  2.0965  159.923   18.885    179.374   26.828    140.820   26.587    36.287  2.7814  32.048  3.1376  4.239788       4.192940 
1 1 1 1   -28 16 o 14.644  2.9134  30.102    12.553    16.795    18.174    42.243    17.359    12.047  4.3686  17.241  3.8558  -5.193974      5.826828 
1 1 1 1   -28 17 o 51.364  1.9984  360.105   27.221    405.643   38.353    313.879   38.642    54.745  2.6155  47.982  3.0222  6.763645       3.996815 
1 1 1 1   -28 18 o 85.883  2.2494  1004.19   51.723    1031.76   72.907    976.249   73.389    87.094  3.1253  84.672  3.2359  2.422173       4.498752 
1 1 1 1   -28 19 o 43.347  2.0220  255.961   23.338    247.781   32.589    264.574   33.438    42.631  2.8707  44.064  2.8484  -1.432934      4.044043 
1 1 1 1   -28 20 o 33.373  2.1248  152.885   18.735    140.763   26.503    164.994   26.489    32.006  3.1317  34.740  2.8724  -2.734257      4.249506 
1 1 1 1   -28 21 o 24.702  2.4508  84.966    15.748    90.530    22.507    79.630    22.042    25.532  3.3737  23.872  3.5559  1.660530       4.901640 
1 1 1 1   -28 22 o 25.376  2.4618  89.852    16.264    86.711    23.361    92.806    22.655    24.903  3.6074  25.850  3.3508  -0.9475079     4.923585 
1 1 1 1   -28 23 o 59.527  2.0191  483.189   32.099    509.042   45.385    457.313   45.406    61.186  2.7693  57.868  2.9391  3.317451       4.038238 
1 1 1 1   -28 24 o 30.755  2.2215  130.681   18.022    125.091   25.601    136.173   25.375    30.071  3.2291  31.439  3.0518  -1.368744      4.443035 
1 1 1 1   -28 25 f 21.901  2.8274  68.554    15.900    81.756    22.824    56.106    22.163    24.101  3.6500  19.702  4.3190  4.398708       5.654754 
1 1 1 1   -28 26 o 38.000  2.1590  199.584   21.710    187.113   31.297    211.151   30.140    36.791  3.2081  39.210  2.8903  -2.418999      4.318016 
1 1 1 1   -28 27 o 45.619  2.0900  286.237   25.383    299.500   36.118    273.293   35.681    46.689  2.9025  44.550  3.0078  2.139015       4.179913 
1 1 1 1   -28 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -28 29 o 34.461  3.2311  165.598   29.477    0.0000    0.0000    165.598   29.477    ?       ?       34.461  3.2311  ?              ?        
1 1 1 1   -28 30 o 42.378  2.1742  249.191   24.481    266.367   35.431    233.498   33.866    43.797  3.0391  40.959  3.1101  2.838284       4.348485 
1 1 1 1   -28 31 o 23.972  2.7483  83.297    17.013    80.228    24.478    86.164    23.662    23.467  4.0402  24.477  3.7267  -1.010513      5.496499 
1 1 1 1   -28 32 o 26.248  2.7735  100.258   18.860    97.671    27.311    102.617   26.075    25.836  4.0822  26.661  3.7555  -0.8248520     5.546932 
1 1 1 1   -28 33 o 29.254  2.6297  124.310   20.027    114.217   28.746    133.830   27.918    27.945  3.9505  30.562  3.4721  -2.616783      5.259444 
1 1 1 1   -28 34 o 11.701  3.2401  12.624    15.523    -0.4046   22.012    25.512    21.893    9.9341  4.3470  13.467  4.8058  -3.532869      6.480151 
1 1 1 1   -28 35 o 42.729  2.2820  261.484   25.911    251.475   36.449    271.708   36.841    41.855  3.2774  43.602  3.1764  -1.746353      4.564060 
1 1 1 1   -28 36 o 21.394  3.2426  71.975    18.028    79.767    26.086    64.849    24.945    22.611  4.4657  20.176  4.7027  2.434351       6.485173 
1 1 1 1   -28 37 o 44.017  2.3486  282.817   27.483    288.241   39.068    277.503   38.668    44.455  3.3047  43.580  3.3380  0.8751221      4.697186 
1 1 1 1   -28 38 o 38.964  2.5702  227.194   26.508    233.365   37.981    221.333   37.012    39.486  3.6319  38.443  3.6378  1.043247       5.140420 
1 1 1 1   -28 39 o 14.202  3.5291  30.961    18.122    49.868    25.280    10.976    25.991    17.007  5.1255  11.397  4.8525  5.610486       7.058175 
1 1 1 1   -28 40 o 9.4906  2.9920  -9.3214   16.783    14.913    23.612    -34.0638  23.858    11.491  4.7396  7.4897  3.6530  4.001808       5.983948 
1 1 1 1   -28 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -28 42 o 9.9388  3.1797  -2.8817   18.485    -15.8098  25.653    11.080    26.659    8.7618  4.1424  11.116  4.8252  -2.354108      6.359350 
1 1 1 1   -28 43 o 9.8997  3.1135  -1.5116   17.940    19.835    24.578    -25.8570  26.247    11.662  4.8250  8.1370  3.9364  3.525325       6.226997 
1 1 1 1   -28 44 o 12.357  3.1813  6.9031    18.887    -47.0627  26.335    64.063    27.103    7.0580  3.5142  17.655  5.3040  -10.59737      6.362533 
1 1 1 1   -27 0  o 28.395  2.0853  110.339   15.599    119.378   22.477    101.941   21.666    29.542  2.8771  27.248  3.0194  2.294598       4.170691 
1 1 1 1   -27 1  o 77.885  2.1920  823.728   45.706    802.785   65.050    844.149   64.235    76.887  3.1587  78.883  3.0402  -1.996048      4.384076 
1 1 1 1   -27 2  o 55.014  1.9979  410.772   29.337    408.753   41.772    412.738   41.212    54.874  2.8519  55.155  2.7988  -0.2811470     3.995856 
1 1 1 1   -27 3  o 12.742  2.6986  21.507    10.365    31.472    15.005    12.411    14.336    14.907  3.7588  10.577  3.8732  4.329205       5.397288 
1 1 1 1   -27 4  o 13.398  2.7119  24.776    10.597    15.853    15.052    33.545    14.921    11.403  3.9929  15.393  3.6707  -3.990108      5.423774 
1 1 1 1   -27 5  o 35.757  1.9897  173.741   18.884    184.435   27.177    163.758   26.259    36.833  2.7751  34.680  2.8522  2.153217       3.979487 
1 1 1 1   -27 6  f 76.510  2.1239  792.241   43.513    818.575   62.113    766.862   60.977    77.764  2.9820  75.256  3.0251  2.508064       4.247796 
1 1 1 1   -27 7  o 63.939  2.0106  552.682   34.430    556.182   49.066    549.287   48.326    64.135  2.8563  63.742  2.8305  0.3933029      4.021199 
1 1 1 1   -27 8  o 64.752  2.0290  566.805   35.170    593.763   50.101    540.615   49.382    66.280  2.8221  63.224  2.9160  3.055454       4.058006 
1 1 1 1   -27 9  f 143.668 3.0844  2824.30   118.615   2958.28   168.716   2693.36   166.794   147.092 4.2823  140.244 4.4403  6.848465       6.168806 
1 1 1 1   -27 10 o 39.157  2.0094  208.612   20.877    224.880   29.509    192.309   29.540    40.719  2.7213  37.596  2.9574  3.122971       4.018901 
1 1 1 1   -27 11 o 26.997  2.2085  99.922    15.673    101.676   22.410    98.242    21.927    27.231  3.1294  26.763  3.1172  0.4674511      4.417041 
1 1 1 1   -27 12 o 131.138 2.8710  2346.06   100.840   2330.59   142.789   2361.45   142.429   130.695 4.0789  131.580 4.0413  -0.8848724     5.741901 
1 1 1 1   -27 13 o 97.855  2.3751  1298.90   62.252    1298.43   87.837    1299.37   88.240    97.840  3.3518  97.870  3.3661  -0.3017426E-01 4.750244 
1 1 1 1   -27 14 o 40.043  1.9915  217.633   21.216    210.102   29.655    225.531   30.367    39.327  2.8343  40.759  2.7985  -1.432243      3.983033 
1 1 1 1   -27 15 o 28.831  2.1691  114.097   16.363    130.004   23.316    98.661    22.969    30.881  2.8511  26.782  3.2698  4.098595       4.338287 
1 1 1 1   -27 16 o 12.576  2.9101  19.776    11.620    28.814    17.025    11.894    15.900    14.366  4.1753  10.786  4.0548  3.579773       5.820191 
1 1 1 1   -27 17 f 41.502  1.9820  234.030   21.899    237.756   30.857    230.250   31.083    41.844  2.7688  41.161  2.8366  0.6827888      3.963972 
1 1 1 1   -27 18 o 47.404  1.9423  304.951   24.547    306.206   34.291    303.633   35.154    47.514  2.7057  47.295  2.7874  0.2190018      3.884640 
1 1 1 1   -27 19 o 42.260  1.9624  242.685   22.088    240.233   31.011    245.211   31.470    42.044  2.7692  42.477  2.7814  -0.4326019     3.924846 
1 1 1 1   -27 20 o 47.072  1.9542  301.135   24.518    309.789   34.550    292.356   34.799    47.768  2.7115  46.376  2.8148  1.392300       3.908379 
1 1 1 1   -27 21 o 52.572  1.9781  375.499   27.739    359.773   38.952    391.681   39.512    51.441  2.8380  53.703  2.7562  -2.261642      3.956117 
1 1 1 1   -27 22 o 42.346  1.9876  244.820   22.313    271.295   31.621    218.563   31.491    44.680  2.6542  40.013  2.9593  4.667252       3.975194 
1 1 1 1   -27 23 o 18.295  2.9022  48.145    13.903    41.177    20.012    54.646    19.330    16.946  4.3778  19.644  3.8111  -2.698252      5.804311 
1 1 1 1   -27 24 o 75.181  2.1366  769.388   43.024    775.931   60.895    762.867   60.794    75.504  3.0111  74.858  3.0321  0.6467209      4.273180 
1 1 1 1   -27 25 o 44.555  2.0127  271.045   23.877    283.720   33.936    258.620   33.600    45.607  2.7915  43.504  2.9002  2.103363       4.025305 
1 1 1 1   -27 26 o 15.612  2.8573  34.764    13.398    11.800    19.361    55.865    18.559    11.352  4.4216  19.872  3.6201  -8.519888      5.714528 
1 1 1 1   -27 27 o 22.616  2.7361  72.611    15.963    70.822    22.957    74.286    22.211    22.303  3.9894  22.929  3.7458  -0.6260338     5.472271 
1 1 1 1   -27 28 o 51.136  2.0666  358.787   28.160    348.387   40.322    368.689   39.344    50.378  3.0018  51.895  2.8413  -1.517124      4.133272 
1 1 1 1   -27 29 o 38.123  2.1739  200.958   21.960    195.448   31.841    205.956   30.325    37.576  3.1939  38.670  2.9500  -1.094059      4.347838 
1 1 1 1   -27 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -27 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -27 32 o 29.996  2.4620  127.013   19.381    136.497   28.005    118.296   26.850    31.109  3.4173  28.882  3.5451  2.226505       4.923972 
1 1 1 1   -27 33 o 49.504  2.1708  341.576   28.623    355.459   41.377    328.835   39.638    50.467  3.0756  48.542  3.0644  1.925800       4.341658 
1 1 1 1   -27 34 o 16.051  3.4365  39.316    16.246    32.069    24.017    45.429    22.060    14.841  5.0502  17.260  4.6620  -2.418294      6.873034 
1 1 1 1   -27 35 o 23.179  3.0845  80.924    18.419    82.332    26.895    79.680    25.278    23.311  4.4700  23.048  4.2514  0.2635708      6.168925 
1 1 1 1   -27 36 o 16.546  3.2053  40.901    16.652    69.738    23.753    13.032    23.351    21.383  4.2965  11.709  4.7576  9.673603       6.410507 
1 1 1 1   -27 37 o 12.271  3.2645  14.741    16.365    -7.0815   23.252    36.161    23.036    9.4103  4.2671  15.132  4.9416  -5.721310      6.529017 
1 1 1 1   -27 38 f 21.747  3.3493  79.101    19.758    42.483    28.212    114.353   27.680    15.976  5.4734  27.518  3.8618  -11.54183      6.698636 
1 1 1 1   -27 39 o 23.926  3.3289  94.748    20.513    63.342    29.075    125.873   28.945    19.100  5.4277  28.751  3.8557  -9.651930      6.657778 
1 1 1 1   -27 40 o 28.115  3.2596  129.891   22.669    180.298   32.479    82.007    31.655    34.630  3.5518  21.599  5.4668  13.03084       6.519293 
1 1 1 1   -27 41 o 12.441  3.3946  16.937    17.936    40.906    25.383    -6.9663   25.348    15.344  5.1920  9.5388  4.3745  5.805367       6.789204 
1 1 1 1   -27 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -27 43 o 16.496  3.9805  53.237    21.203    58.823    30.018    47.676    29.954    17.323  5.6402  15.668  5.6182  1.654196       7.960909 
1 1 1 1   -27 44 o 12.486  3.6782  25.449    20.402    26.676    27.879    24.034    29.936    12.592  5.1666  12.380  5.2366  0.2116280      7.356339 
1 1 1 1   -27 45 o 10.588  3.3630  7.1347    20.138    -7.6189   27.218    24.981    29.935    9.1430  4.3056  12.032  5.1674  -2.889354      6.726042 
1 1 1 1   -26 0  o 54.985  1.9469  408.973   28.615    422.664   40.858    395.792   40.088    55.927  2.7275  54.042  2.7789  1.885422       3.893736 
1 1 1 1   -26 1  o 42.698  1.9028  247.154   21.648    246.568   30.825    247.725   30.409    42.643  2.7129  42.752  2.6689  -0.1087646     3.805624 
1 1 1 1   -26 2  o 57.793  1.9974  452.072   30.844    437.146   43.870    466.664   43.375    56.800  2.8931  58.785  2.7548  -1.985161      3.994874 
1 1 1 1   -26 3  o 27.442  2.0557  103.118   14.832    97.575    21.374    108.268   20.600    26.695  3.0436  28.188  2.7640  -1.493053      4.111347 
1 1 1 1   -26 4  o 39.617  1.9421  213.643   20.232    254.121   28.969    175.095   28.270    43.353  2.5054  35.881  2.9681  7.472313       3.884178 
1 1 1 1   -26 5  o 38.614  1.9451  202.438   19.943    188.865   28.296    215.835   28.113    37.301  2.8538  39.926  2.6438  -2.624428      3.890168 
1 1 1 1   -26 6  o 98.014  2.3724  1299.61   62.248    1360.32   88.748    1240.81   87.332    100.282 3.3041  95.746  3.4054  4.536049       4.744832 
1 1 1 1   -26 7  o 87.388  2.2234  1031.50   52.032    1059.92   74.138    1003.91   73.043    88.579  3.1248  86.198  3.1637  2.381859       4.446712 
1 1 1 1   -26 8  o 193.929 3.9649  5173.32   205.934   5268.03   292.219   5079.88   290.260   195.722 5.5742  192.136 5.6401  3.586639       7.929852 
1 1 1 1   -26 9  o 43.312  1.9490  253.975   22.477    263.407   31.720    244.463   31.855    44.132  2.6964  42.491  2.8149  1.641685       3.897923 
1 1 1 1   -26 10 o 60.576  1.9792  496.071   31.964    539.653   45.258    452.700   45.149    63.291  2.6697  57.862  2.9226  5.428856       3.958446 
1 1 1 1   -26 11 o 48.596  1.9656  319.815   25.432    337.360   35.716    301.767   36.223    49.971  2.6781  47.220  2.8777  2.750427       3.931109 
1 1 1 1   -26 12 o 22.548  2.3593  70.287    13.783    75.552    19.448    64.974    19.537    23.445  3.1789  21.652  3.4872  1.792503       4.718691 
1 1 1 1   -26 13 o 40.383  1.9529  220.581   20.986    212.420   29.154    229.357   30.232    39.604  2.7657  41.161  2.7581  -1.557049      3.905893 
1 1 1 1   -26 14 o 62.025  1.9892  519.052   33.025    532.639   46.296    504.974   47.124    62.861  2.7496  61.188  2.8753  1.672672       3.978407 
1 1 1 1   -26 15 o 95.531  2.3313  1234.83   59.605    1283.34   83.944    1185.51   84.647    97.446  3.2162  93.616  3.3758  3.830734       4.662570 
1 1 1 1   -26 16 o 54.885  1.9380  406.384   28.426    389.031   39.624    424.784   40.802    53.639  2.7674  56.130  2.7139  -2.491058      3.876056 
1 1 1 1   -26 17 o 89.834  2.2481  1091.18   54.089    1086.60   75.998    1095.89   76.999    89.647  3.1650  90.022  3.1934  -0.3750381     4.496132 
1 1 1 1   -26 18 o 59.356  1.9559  475.300   31.089    467.655   43.413    483.347   44.541    58.868  2.7532  59.844  2.7788  -0.9752960     3.911785 
1 1 1 1   -26 19 o 47.434  1.9299  304.723   24.414    306.635   34.359    302.773   34.696    47.589  2.7068  47.279  2.7517  0.3102074      3.859850 
1 1 1 1   -26 20 o 64.830  1.9881  568.136   34.508    576.854   48.352    559.086   49.263    65.347  2.7625  64.313  2.8598  1.034149       3.976130 
1 1 1 1   -26 21 o 42.151  1.9525  242.417   21.704    203.999   30.587    281.377   30.802    38.711  2.9727  45.590  2.5324  -6.879688      3.905064 
1 1 1 1   -26 22 o 59.030  1.9448  471.387   30.740    457.938   43.481    484.827   43.464    58.180  2.7902  59.881  2.7099  -1.700878      3.889580 
1 1 1 1   -26 23 o 17.620  2.6847  45.421    12.687    22.947    18.104    67.110    17.785    13.211  4.3841  22.030  3.0999  -8.818831      5.369324 
1 1 1 1   -26 24 o 10.965  2.7453  11.688    11.278    -3.4775   16.615    24.649    15.359    8.6063  3.7710  13.323  3.9906  -4.716601      5.490517 
1 1 1 1   -26 25 o 23.642  2.4597  77.795    15.103    80.861    21.729    74.929    21.007    24.104  3.4652  23.180  3.4918  0.9238930      4.919399 
1 1 1 1   -26 26 o 41.678  2.0190  236.819   22.384    250.405   32.141    224.023   31.192    42.853  2.8159  40.502  2.8943  2.350849       4.038100 
1 1 1 1   -26 27 o 82.151  2.2239  920.729   48.932    926.701   69.662    914.912   68.749    82.409  3.1560  81.894  3.1342  0.5154419      4.447824 
1 1 1 1   -26 28 o 25.413  2.5177  91.203    16.462    80.042    23.983    101.148   22.638    23.799  3.8972  27.027  3.1886  -3.228001      5.035466 
1 1 1 1   -26 29 o 55.110  2.0568  415.818   30.218    407.507   43.493    423.575   42.016    54.543  2.9884  55.676  2.8267  -1.132683      4.113524 
1 1 1 1   -26 30 o 29.177  2.4410  118.840   18.677    118.367   27.129    119.267   25.750    29.086  3.5564  29.269  3.3446  -0.1831532     4.882037 
1 1 1 1   -26 31 o 73.848  2.2021  749.791   43.548    739.803   61.989    759.523   61.190    73.337  3.1558  74.359  3.0723  -1.022278      4.404276 
1 1 1 1   -26 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -26 33 o 29.212  2.6783  124.544   19.723    94.692    28.659    151.401   27.184    25.481  4.3556  32.944  3.1178  -7.462711      5.356512 
1 1 1 1   -26 34 o 16.393  3.1123  38.747    16.272    7.7387    23.468    67.459    22.582    11.327  4.7028  21.459  4.0779  -10.13232      6.224593 
1 1 1 1   -26 35 o 31.174  2.6059  139.640   21.307    146.589   30.109    132.669   30.156    32.022  3.5713  30.325  3.7958  1.696373       5.211735 
1 1 1 1   -26 36 o 29.936  2.6616  130.347   20.837    126.357   29.884    134.122   29.070    29.407  3.8894  30.465  3.6343  -1.057261      5.323108 
1 1 1 1   -26 37 o 22.325  3.1361  82.344    19.035    28.487    27.374    132.768   26.487    14.267  5.3287  30.383  3.3082  -16.11611      6.272105 
1 1 1 1   -26 38 o 25.125  3.0526  97.030    19.734    86.882    27.924    107.154   27.891    23.586  4.5853  26.664  4.0311  -3.078117      6.105269 
1 1 1 1   -26 39 o 27.875  3.1590  124.586   21.532    178.944   30.832    72.836    30.083    34.983  3.3306  20.767  5.3689  14.21597       6.318049 
1 1 1 1   -26 40 o 10.656  3.2619  5.2865    17.112    1.7140    23.361    9.4225    25.136    10.109  4.4496  11.202  4.7708  -1.092491      6.523736 
1 1 1 1   -26 41 o 8.9489  2.9306  -11.2881  16.629    -15.7244  22.751    -6.1997   24.366    8.4170  3.9552  9.4808  4.3256  -1.063755      5.861241 
1 1 1 1   -26 42 o 12.340  2.9123  5.2045    17.088    53.454    22.745    -57.3269  25.893    17.792  4.7018  6.8871  3.4379  10.90515       5.824670 
1 1 1 1   -26 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -26 44 o 10.025  3.2514  -6.7257   20.037    -22.2566  27.036    12.200    29.844    8.5691  4.1071  11.481  5.0417  -2.911773      6.502872 
1 1 1 1   -26 45 o 13.513  3.5393  26.949    20.624    63.256    28.803    -11.2484  29.544    17.601  5.5026  9.4250  4.4527  8.175570       7.078534 
1 1 1 1   -25 0  o 37.280  1.9059  188.298   18.899    193.214   26.994    183.571   26.468    37.761  2.6864  36.799  2.7043  0.9622078      3.811832 
1 1 1 1   -25 1  o 10.962  2.5407  15.106    8.8233    9.7127    12.320    20.786    12.642    9.6410  3.5800  12.284  3.6060  -2.642599      5.081328 
1 1 1 1   -25 2  o 114.908 2.6384  1788.32   81.202    1805.72   115.494   1771.32   114.192   115.459 3.7346  114.356 3.7281  1.102982       5.276895 
1 1 1 1   -25 3  o 47.475  1.9240  304.731   24.279    337.084   34.686    273.654   33.995    49.973  2.6003  44.977  2.8364  4.996136       3.847981 
1 1 1 1   -25 4  o 53.925  1.9228  392.077   27.719    387.899   39.423    396.163   38.982    53.602  2.7552  54.248  2.6828  -0.6458664     3.845604 
1 1 1 1   -25 5  o 46.486  1.9328  292.299   23.907    271.147   33.849    313.351   33.769    44.785  2.8364  48.187  2.6263  -3.402458      3.865601 
1 1 1 1   -25 6  o 92.369  2.2994  1150.28   56.877    1184.43   81.025    1117.10   79.859    93.725  3.2275  91.013  3.2759  2.712189       4.598767 
1 1 1 1   -25 7  o 65.803  2.0078  582.763   35.385    594.101   50.314    571.667   49.773    66.438  2.8274  65.168  2.8515  1.269226       4.015614 
1 1 1 1   -25 8  o 40.633  1.9420  223.184   20.993    234.888   29.818    211.682   29.560    41.703  2.6837  39.564  2.8077  2.138988       3.884014 
1 1 1 1   -25 9  o 56.565  1.9442  430.431   29.453    420.976   41.525    440.002   41.780    55.938  2.7715  57.192  2.7274  -1.254181      3.888432 
1 1 1 1   -25 10 o 56.758  1.9309  433.392   29.351    439.927   41.408    426.794   41.610    57.191  2.7031  56.326  2.7580  0.8650970      3.861804 
1 1 1 1   -25 11 o 35.457  1.9859  169.997   18.687    159.938   25.986    180.769   26.892    34.359  2.8493  36.554  2.7671  -2.194588      3.971861 
1 1 1 1   -25 12 o 152.810 3.1725  3164.56   129.848   3186.82   183.673   3142.31   183.592   153.353 4.4716  152.266 4.5015  1.086517       6.345005 
1 1 1 1   -25 13 o 74.905  2.0948  755.628   42.014    769.854   59.041    741.035   59.798    75.626  2.9147  74.184  3.0095  1.441460       4.189568 
1 1 1 1   -25 14 o 26.472  2.2794  96.223    15.741    104.227   21.964    87.771    22.571    27.659  3.0135  25.285  3.4206  2.374290       4.558703 
1 1 1 1   -25 15 o 53.890  1.9505  393.946   27.888    436.660   38.872    348.644   40.032    56.983  2.5468  50.797  2.9550  6.186432       3.901077 
1 1 1 1   -25 16 o 47.259  1.9208  301.249   24.197    288.077   33.663    315.328   34.805    46.185  2.7333  48.333  2.6993  -2.147148      3.841528 
1 1 1 1   -25 17 o 61.782  1.9526  514.399   32.281    532.359   45.248    495.784   46.066    62.890  2.6862  60.674  2.8346  2.216038       3.905146 
1 1 1 1   -25 18 o 94.291  2.2808  1200.04   57.592    1213.54   80.968    1186.22   81.935    94.836  3.1875  93.746  3.2631  1.090187       4.561584 
1 1 1 1   -25 19 o 74.502  2.0562  748.532   41.018    758.271   57.506    738.444   58.525    75.003  2.8625  74.001  2.9527  1.002312       4.112428 
1 1 1 1   -25 20 o 41.414  1.8993  232.047   20.937    219.661   29.392    244.805   29.830    40.279  2.7406  42.549  2.6304  -2.270214      3.798665 
1 1 1 1   -25 21 o 32.072  2.0673  139.977   17.537    130.692   24.597    149.575   25.009    30.968  3.0031  33.176  2.8418  -2.208614      4.134570 
1 1 1 1   -25 22 o 59.535  1.9475  478.354   31.054    484.061   43.940    472.658   43.895    59.892  2.7390  59.178  2.7693  0.7146187      3.895019 
1 1 1 1   -25 23 f 9.4720  2.6974  5.0595    10.569    9.4257    15.593    1.3492    14.375    10.288  3.9789  8.6559  3.6432  1.632117       5.394898 
1 1 1 1   -25 24 o 82.471  2.1756  921.551   48.054    913.695   68.207    929.293   67.714    82.115  3.1011  82.828  3.0522  -0.7130966     4.351207 
1 1 1 1   -25 25 o 14.005  3.1136  26.586    12.996    29.030    19.218    24.528    17.641    14.521  4.4874  13.490  4.3175  1.030982       6.227143 
1 1 1 1   -25 26 o 45.875  1.9634  285.672   23.994    297.821   34.755    274.609   33.166    46.807  2.7847  44.944  2.7686  1.863541       3.926775 
1 1 1 1   -25 27 o 58.046  1.9936  457.093   30.986    457.839   44.380    456.383   43.284    58.083  2.8526  58.009  2.7857  0.7471466E-01  3.987193 
1 1 1 1   -25 28 o 49.612  1.9868  335.001   26.260    341.187   38.262    329.493   36.105    50.029  2.8673  49.196  2.7510  0.8331451      3.973591 
1 1 1 1   -25 29 o 32.402  2.2088  144.246   18.880    147.944   27.878    141.112   25.661    32.761  3.2186  32.042  3.0258  0.7191086      4.417542 
1 1 1 1   -25 30 o 10.062  2.8973  3.7593    12.801    14.033    18.205    -6.2885   18.004    11.501  4.3357  8.6227  3.8445  2.877978       5.794681 
1 1 1 1   -25 31 o 10.815  2.7753  3.9670    12.801    -20.9057  18.046    29.156    18.161    7.2753  3.4498  14.356  4.3483  -7.080381      5.550540 
1 1 1 1   -25 32 o 82.643  2.3174  940.808   51.263    912.726   73.014    968.109   71.991    81.376  3.3498  83.910  3.2031  -2.534477      4.634816 
1 1 1 1   -25 33 o 18.782  3.6643  52.029    18.797    49.116    24.410    56.272    29.464    18.201  4.8989  19.362  5.4505  -1.160852      7.328517 
1 1 1 1   -25 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -25 35 o 39.449  2.3595  218.928   24.636    204.002   34.973    233.629   34.708    38.029  3.4717  40.869  3.1961  -2.839619      4.718903 
1 1 1 1   -25 36 o 43.999  2.3200  272.871   27.128    269.230   38.877    276.326   37.871    43.666  3.3495  44.332  3.2111  -0.6660576     4.640076 
1 1 1 1   -25 37 o 42.288  2.3647  254.492   26.534    249.452   38.181    259.201   36.902    41.810  3.4399  42.766  3.2457  -0.9560051     4.729438 
1 1 1 1   -25 38 o 17.698  3.4808  49.536    17.700    64.674    24.946    34.190    25.118    20.384  4.6694  15.012  5.1635  5.371985       6.961686 
1 1 1 1   -25 39 o 11.656  3.3112  11.478    16.464    -1.5944   22.715    25.950    23.899    9.8282  4.3535  13.484  4.9903  -3.655980      6.622420 
1 1 1 1   -25 40 o 12.142  3.4338  17.313    16.901    13.835    23.109    21.315    24.783    11.553  4.7179  12.731  4.9904  -1.178215      6.867517 
1 1 1 1   -25 41 o 27.171  3.2965  119.292   22.994    132.581   32.235    105.525   32.810    29.114  4.2597  25.227  5.0321  3.886621       6.592952 
1 1 1 1   -25 42 o 11.487  3.4014  6.1439    18.877    -15.4124  25.782    31.051    27.714    9.0216  4.2300  13.953  5.3279  -4.931512      6.802886 
1 1 1 1   -25 43 o 8.8318  2.9011  -19.3483  17.864    4.5000    23.697    -50.7448  27.190    10.283  4.5048  7.3800  3.6569  2.903462       5.802239 
1 1 1 1   -25 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -25 45 o 13.305  3.7852  30.738    20.809    35.235    28.611    25.688    30.320    13.849  5.3803  12.761  5.3257  1.088011       7.570346 
1 1 1 1   -25 46 o 14.484  3.9223  44.126    21.833    32.494    31.573    54.784    30.224    13.067  5.4424  15.901  5.6496  -2.834580      7.844625 
1 1 1 1   -24 0  o 32.754  1.9443  145.463   16.893    141.514   23.952    149.372   23.829    32.302  2.7959  33.207  2.7026  -0.9042969     3.888579 
1 1 1 1   -24 1  o 59.943  1.9663  483.443   31.518    521.497   45.058    446.984   44.104    62.261  2.7019  57.626  2.8574  4.634727       3.932533 
1 1 1 1   -24 2  o 51.695  1.9392  360.526   26.734    377.771   37.931    343.505   37.685    52.934  2.6841  50.455  2.7996  2.479443       3.878364 
1 1 1 1   -24 3  o 14.843  2.6320  30.839    11.068    15.679    15.723    45.731    15.583    11.541  4.0776  18.144  3.3292  -6.603559      5.264078 
1 1 1 1   -24 4  o 64.038  2.0206  551.411   34.656    557.279   49.281    545.669   48.746    64.375  2.8581  63.701  2.8570  0.6739998      4.041169 
1 1 1 1   -24 5  o 18.447  2.6789  48.091    12.828    62.747    18.230    33.719    18.054    21.344  3.2948  15.549  4.2248  5.795911       5.357712 
1 1 1 1   -24 6  o 105.890 2.4686  1510.01   70.013    1513.98   99.546    1506.12   98.490    106.026 3.5053  105.755 3.4770  0.2708206      4.937259 
1 1 1 1   -24 7  o 34.697  2.0294  162.894   18.688    167.291   26.589    158.602   26.271    35.166  2.8472  34.229  2.8926  0.9372177      4.058808 
1 1 1 1   -24 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 17 o 43.732  1.9656  257.984   22.888    244.860   31.945    271.827   32.808    42.581  2.8168  44.883  2.7422  -2.302349      3.931196 
1 1 1 1   -24 18 o 85.657  2.1675  987.808   49.721    999.709   69.948    975.654   70.690    86.183  3.0302  85.130  3.1002  1.053108       4.335089 
1 1 1 1   -24 19 o 132.869 2.8322  2386.46   100.793   2362.41   142.123   2410.79   142.966   132.193 4.0139  133.546 3.9968  -1.352310      5.664450 
1 1 1 1   -24 20 o 63.820  1.9627  548.194   33.546    555.876   47.335    540.443   47.547    64.272  2.7496  63.368  2.8014  0.9042587      3.925305 
1 1 1 1   -24 21 o 73.246  2.0603  722.720   40.416    706.977   56.976    738.664   57.339    72.440  2.9365  74.052  2.8908  -1.612411      4.120672 
1 1 1 1   -24 22 o 33.209  2.0531  150.324   17.803    182.214   25.611    120.509   24.764    36.697  2.6229  29.720  3.1593  6.977087       4.106221 
1 1 1 1   -24 23 o 49.635  1.9196  332.638   25.370    368.701   36.321    298.280   35.451    52.320  2.5918  46.950  2.8324  5.370483       3.839207 
1 1 1 1   -24 24 o 80.425  2.1465  873.654   46.221    907.782   65.882    840.573   64.864    81.979  3.0004  78.870  3.0704  3.108963       4.293000 
1 1 1 1   -24 25 o 81.272  2.1528  893.385   46.857    893.854   66.759    892.930   65.785    81.287  3.0662  81.256  3.0226  0.3050995E-01  4.305524 
1 1 1 1   -24 26 o 35.250  2.0646  169.382   19.283    166.588   27.967    171.913   26.623    34.951  3.0170  35.549  2.8191  -0.5980568     4.129158 
1 1 1 1   -24 27 o 67.900  2.0286  624.102   36.885    641.815   52.738    607.142   51.607    68.845  2.8600  66.955  2.8776  1.889977       4.057126 
1 1 1 1   -24 28 o 69.754  2.0806  660.068   38.859    665.831   55.775    654.633   54.171    70.040  2.9730  69.467  2.9114  0.5724792      4.161146 
1 1 1 1   -24 29 o 34.931  2.0893  166.142   19.275    189.129   28.267    146.166   26.351    37.218  2.8574  32.645  3.0489  4.572845       4.178576 
1 1 1 1   -24 30 o 40.701  2.0416  226.530   22.082    223.329   31.938    229.462   30.563    40.400  2.9724  41.002  2.7996  -0.6024399     4.083254 
1 1 1 1   -24 31 o 18.240  3.0362  47.807    14.676    38.809    20.331    57.597    21.206    16.417  4.4929  20.062  4.0851  -3.645313      6.072386 
1 1 1 1   -24 32 o 19.515  3.0515  54.710    15.864    78.670    23.238    33.799    21.709    23.583  3.8086  15.446  4.7687  8.137124       6.102952 
1 1 1 1   -24 33 o 31.226  2.3786  135.646   19.548    145.425   28.010    126.360   27.295    32.364  3.2763  30.089  3.4491  2.275202       4.757139 
1 1 1 1   -24 34 o 33.028  2.4220  152.480   21.062    164.777   30.008    140.540   29.569    34.403  3.2970  31.653  3.5488  2.749720       4.843973 
1 1 1 1   -24 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -24 36 f 16.082  3.2204  36.872    16.264    12.127    23.124    61.094    22.878    11.848  4.7623  20.315  4.3365  -8.467107      6.440884 
1 1 1 1   -24 37 o 23.446  3.1761  82.797    19.120    105.884   27.385    60.837    26.708    27.012  3.8977  19.880  5.0158  7.131853       6.352206 
1 1 1 1   -24 38 o 20.151  3.5393  63.435    19.024    65.104    26.838    61.750    26.970    20.448  4.9526  19.855  5.0574  0.5930424      7.078528 
1 1 1 1   -24 39 f 18.677  3.5277  55.247    18.627    37.399    25.979    74.130    26.721    15.538  5.2526  21.817  4.7106  -6.279405      7.055476 
1 1 1 1   -24 40 o 20.027  3.3450  66.250    19.543    103.290   27.253    27.043    28.039    26.147  4.0201  13.907  5.3474  12.23970       6.689997 
1 1 1 1   -24 41 o 20.231  3.6733  68.468    20.042    61.270    27.623    76.470    29.125    19.038  5.2480  21.424  5.1410  -2.386194      7.346524 
1 1 1 1   -24 42 o 32.995  2.8984  168.624   25.061    171.186   35.621    166.113   35.265    33.260  4.0843  32.729  4.1136  0.5308800      5.796803 
1 1 1 1   -24 43 f 12.226  3.5664  17.556    19.272    25.461    26.024    7.9547    28.679    13.085  5.1181  11.366  4.9679  1.719501       7.132705 
1 1 1 1   -24 44 o 16.289  3.9645  48.769    21.096    41.445    29.502    56.432    30.178    15.200  5.5579  17.377  5.6551  -2.177156      7.929049 
1 1 1 1   -24 45 o 10.343  3.3533  -2.6075   21.051    -4.2488   30.226    -1.0615   29.335    10.283  4.7383  10.403  4.7463  -0.1199121     6.706566 
1 1 1 1   -24 46 o 10.036  3.2418  -3.9657   19.867    -20.8346  27.316    14.978    28.947    8.5984  4.1231  11.474  5.0037  -2.875166      6.483550 
1 1 1 1   -24 47 o 9.1220  3.0369  -8.4919   19.285    -1.0720   26.336    -17.0696  28.317    9.5085  4.3960  8.7355  4.1912  0.7730026      6.073790 
1 1 1 1   -23 0  f 12.216  2.7290  19.488    10.085    24.173    14.637    15.254    13.916    13.269  3.8757  11.164  3.8431  2.105390       5.458096 
1 1 1 1   -23 1  o 145.646 3.0779  2864.27   120.016   2980.33   170.601   2750.56   168.869   148.585 4.2867  142.707 4.4179  5.877792       6.155748 
1 1 1 1   -23 2  o 78.323  3.1469  840.656   64.891    948.459   89.101    718.898   94.693    83.889  3.9654  72.756  4.8875  11.13239       6.293837 
1 1 1 1   -23 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -23 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -23 5  o 43.440  1.9044  254.928   21.974    277.269   31.002    232.370   31.152    45.378  2.5611  41.503  2.8190  3.875332       3.808702 
1 1 1 1   -23 6  o 126.564 2.7703  2156.37   93.898    2127.50   133.273   2184.83   132.317   125.716 3.9579  127.411 3.8772  -1.695831      5.540542 
1 1 1 1   -23 7  o 148.578 3.0973  2974.60   123.258   2958.17   174.760   2990.88   173.870   148.165 4.4036  148.992 4.3569  -0.8265991     6.194658 
1 1 1 1   -23 8  o 43.710  1.9480  257.532   22.686    262.677   32.037    252.357   32.128    44.153  2.7222  43.267  2.7871  0.8857765      3.895954 
1 1 1 1   -23 9  o 82.419  2.1282  912.285   46.981    916.819   66.370    907.731   66.513    82.625  2.9989  82.213  3.0205  0.4121857      4.256415 
1 1 1 1   -23 10 o 12.806  2.6091  20.326    10.903    1.9350    15.594    37.916    15.251    9.1322  3.8160  16.479  3.5592  -7.347164      5.218226 
1 1 1 1   -23 11 o 52.107  1.9417  365.643   26.987    371.544   37.696    359.439   38.652    52.545  2.6874  51.668  2.8034  0.8764839      3.883428 
1 1 1 1   -23 12 o 60.329  1.9403  488.254   31.343    473.848   43.684    503.538   44.995    59.413  2.7451  61.246  2.7428  -1.833164      3.880542 
1 1 1 1   -23 13 o 99.600  2.3311  1333.22   62.185    1337.63   87.482    1328.71   88.412    99.769  3.2736  99.432  3.3197  0.3378525      4.662294 
1 1 1 1   -23 14 f 192.429 3.7903  5006.37   195.340   5076.86   275.952   4935.56   276.554   193.802 5.3160  191.057 5.4042  2.745392       7.580575 
1 1 1 1   -23 15 o 50.389  1.9052  341.661   25.608    336.059   35.553    347.700   36.914    49.962  2.6664  50.817  2.7219  -0.8549843     3.810348 
1 1 1 1   -23 16 o 24.178  2.4776  81.147    15.059    56.776    20.842    107.764   21.781    20.183  3.9967  28.172  2.9293  -7.989334      4.955264 
1 1 1 1   -23 17 o 61.847  1.9359  513.946   32.051    520.741   44.763    506.798   45.912    62.270  2.6838  61.424  2.7906  0.8461914      3.871700 
1 1 1 1   -23 18 f 139.710 2.9187  2633.17   109.180   2709.19   154.098   2556.54   154.712   141.751 4.0586  137.668 4.1957  4.083237       5.837477 
1 1 1 1   -23 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -23 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -23 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -23 22 o 101.636 2.3695  1392.47   64.506    1392.38   91.333    1392.56   91.117    101.632 3.3551  101.640 3.3469  -0.8361816E-02 4.739051 
1 1 1 1   -23 23 o 55.023  1.9460  408.221   28.606    400.832   41.024    415.215   39.910    54.495  2.8202  55.551  2.6822  -1.055729      3.891999 
1 1 1 1   -23 24 o 66.079  1.9733  587.699   34.911    612.053   50.062    564.643   48.710    67.413  2.7725  64.745  2.8088  2.668312       3.946687 
1 1 1 1   -23 25 o 52.573  1.9476  373.698   27.297    368.907   39.414    378.115   37.842    52.235  2.8276  52.910  2.6789  -0.6750603     3.895100 
1 1 1 1   -23 26 o 68.149  2.0414  626.809   37.248    631.262   53.541    622.632   51.852    68.377  2.9234  67.922  2.8501  0.4553833      4.082836 
1 1 1 1   -23 27 o 48.663  1.9633  321.078   25.419    317.350   37.174    324.352   34.834    48.375  2.8821  48.951  2.6668  -0.5760307     3.926636 
1 1 1 1   -23 28 o 50.274  1.9783  342.228   26.509    358.302   38.513    327.755   36.543    51.395  2.8083  49.154  2.7871  2.241505       3.956571 
1 1 1 1   -23 29 o 32.424  2.1497  143.953   18.400    142.494   26.938    145.229   25.194    32.240  3.1600  32.607  2.9154  -0.3661156     4.299456 
1 1 1 1   -23 30 o 11.455  2.8622  11.423    12.292    28.619    17.727    -4.5019   17.060    14.311  4.2874  8.5997  3.7929  5.711256       5.724301 
1 1 1 1   -23 31 o 24.193  2.5974  81.879    16.259    90.251    23.430    74.102    22.580    25.447  3.5328  22.940  3.8084  2.506073       5.194702 
1 1 1 1   -23 32 o 30.657  2.3606  130.110   18.978    145.382   27.211    115.647   26.481    32.477  3.1685  28.838  3.5000  3.639145       4.721189 
1 1 1 1   -23 33 o 81.252  2.3006  905.658   50.033    876.540   71.243    933.996   70.282    79.919  3.3282  82.585  3.1773  -2.666092      4.601267 
1 1 1 1   -23 34 o 13.503  3.0093  18.236    14.895    47.322    21.294    -9.6269   20.842    18.015  4.4413  8.9913  4.0618  9.023754       6.018578 
1 1 1 1   -23 35 o 27.493  2.7680  107.527   19.787    105.467   28.425    109.463   27.560    27.189  4.0247  27.798  3.8012  -0.6081104     5.535999 
1 1 1 1   -23 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -23 37 o 10.399  2.8830  -2.8075   14.534    26.204    20.037    -35.0214  21.114    13.692  4.6131  7.1052  3.4591  6.587203       5.765957 
1 1 1 1   -23 38 o 36.035  2.6221  186.112   24.931    194.036   35.494    178.394   35.027    36.838  3.6451  35.233  3.7702  1.604687       5.244112 
1 1 1 1   -23 39 o 20.668  3.3654  66.613    18.936    94.959    27.136    39.706    26.438    25.268  4.1537  16.067  5.2962  9.200891       6.730711 
1 1 1 1   -23 40 o 16.102  3.5089  39.308    17.857    59.997    25.623    19.769    24.900    19.422  4.9199  12.783  5.0045  6.639057       7.017858 
1 1 1 1   -23 41 o 8.2197  2.7293  -17.5616  15.100    -22.9683  20.071    -10.5111  22.920    7.4239  3.5531  9.0155  4.1438  -1.591599      5.458544 
1 1 1 1   -23 42 o 22.970  3.5397  87.236    21.207    75.767    29.767    99.058    30.222    21.143  5.2738  24.797  4.7227  -3.653580      7.079388 
1 1 1 1   -23 43 o 24.905  3.5874  104.080   23.116    95.393    32.212    113.305   33.193    23.648  5.2247  26.162  4.9174  -2.513918      7.174855 
1 1 1 1   -23 44 f 7.7970  2.6493  -30.4564  16.972    -9.9565   21.990    -60.6608  26.692    8.6665  4.0103  6.9275  3.4630  1.739066       5.298543 
1 1 1 1   -23 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -23 46 o 26.945  3.8568  133.786   26.939    98.848    36.798    174.140   39.546    22.130  6.0394  31.760  4.7984  -9.629742      7.713552 
1 1 1 1   -23 47 o 11.893  3.5630  21.536    19.705    24.577    26.548    17.805    29.405    12.176  5.0242  11.609  5.0535  0.5671816      7.126015 
1 1 1 1   -22 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -22 1  o 61.437  1.9606  506.863   32.249    500.249   46.101    513.200   45.128    61.042  2.8196  61.832  2.7248  -0.7901535     3.921110 
1 1 1 1   -22 2  o 229.108 4.4383  7109.74   272.312   7289.15   386.130   6932.23   384.093   232.009 6.2135  226.207 6.3393  5.802460       8.876640 
1 1 1 1   -22 3  o 109.763 2.5097  1618.80   73.776    1652.04   104.950   1586.32   103.731   110.878 3.5338  108.647 3.5645  2.231071       5.019359 
1 1 1 1   -22 4  o 86.657  2.1964  1008.10   50.974    1033.41   72.466    983.319   71.715    87.735  3.0837  85.579  3.1286  2.155670       4.392894 
1 1 1 1   -22 5  o 114.900 2.5595  1773.75   78.752    1825.84   111.912   1722.66   110.840   116.575 3.5841  113.226 3.6548  3.349113       5.118949 
1 1 1 1   -22 6  o 53.186  1.8924  380.092   26.895    394.825   38.108    365.470   37.964    54.251  2.6225  52.121  2.7289  2.130348       3.784757 
1 1 1 1   -22 7  o 108.234 2.4843  1573.96   71.995    1531.08   102.009   1616.52   101.625   106.759 3.5673  109.708 3.4584  -2.948433      4.968526 
1 1 1 1   -22 8  o 12.206  2.8261  17.068    11.292    29.547    16.654    6.4484    15.363    14.622  4.0914  9.7892  3.8999  4.832924       5.652297 
1 1 1 1   -22 9  o 120.110 2.6417  1938.53   84.980    1905.61   120.046   1971.60   120.316   119.085 3.7636  121.136 3.7082  -2.050369      5.283473 
1 1 1 1   -22 10 o 209.233 4.0212  5908.32   225.356   5956.87   318.775   5859.81   318.628   210.099 5.6646  208.368 5.7091  1.731171       8.042463 
1 1 1 1   -22 11 o 235.335 4.5426  7491.07   286.324   7572.18   404.821   7409.89   405.025   236.623 6.3873  234.047 6.4608  2.575790       9.085167 
1 1 1 1   -22 12 o 116.811 2.5351  1832.96   79.312    1801.26   111.623   1865.28   112.713   115.790 3.5991  117.833 3.5712  -2.042503      5.070242 
1 1 1 1   -22 13 o 162.375 3.2705  3549.82   142.239   3531.29   200.721   3568.51   201.595   161.949 4.6273  162.801 4.6231  -0.8519287     6.541020 
1 1 1 1   -22 14 o 112.546 2.4940  1701.61   75.177    1669.51   105.778   1734.36   106.861   111.472 3.5428  113.619 3.5114  -2.147675      4.988086 
1 1 1 1   -22 15 o 125.877 2.7034  2130.23   91.145    2118.49   128.415   2142.15   129.388   125.528 3.8193  126.227 3.8270  -0.6981735     5.406734 
1 1 1 1   -22 16 o 57.075  1.9011  437.036   29.044    415.685   40.717    459.152   41.441    55.655  2.7314  58.496  2.6449  -2.841278      3.802129 
1 1 1 1   -22 17 o 273.770 5.2408  10199.06  384.301   10204.69  543.139   10193.41  543.829   273.849 7.4047  273.690 7.4185  0.1593933      10.48160 
1 1 1 1   -22 18 o 27.710  2.2518  104.494   16.338    93.303    22.770    116.370   23.456    26.141  3.3274  29.280  3.0350  -3.138424      4.503654 
1 1 1 1   -22 19 o 55.017  1.9093  406.335   28.135    402.439   39.580    410.314   40.003    54.751  2.6989  55.284  2.7015  -0.5329781     3.818668 
1 1 1 1   -22 20 o 65.159  1.9858  570.287   34.655    577.524   48.973    563.030   49.045    65.575  2.7883  64.744  2.8282  0.8307571      3.971519 
1 1 1 1   -22 21 o 70.514  1.9965  668.056   37.705    680.284   53.434    655.930   53.213    71.158  2.8035  69.869  2.8434  1.288536       3.993080 
1 1 1 1   -22 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -22 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -22 24 o 76.636  2.1275  791.897   43.599    756.301   62.479    825.682   60.869    74.941  3.1126  78.331  2.9012  -3.390312      4.255013 
1 1 1 1   -22 25 o 50.588  1.9582  345.237   26.398    349.633   38.422    341.307   36.329    50.885  2.8303  50.291  2.7070  0.5935631      3.916372 
1 1 1 1   -22 26 o 45.092  2.0008  277.134   23.845    248.578   34.674    302.753   32.843    42.829  3.0424  47.356  2.5992  -4.527481      4.001527 
1 1 1 1   -22 27 o 60.235  2.0054  488.535   32.321    505.926   47.051    472.996   44.475    61.244  2.8682  59.227  2.8036  2.017284       4.010820 
1 1 1 1   -22 28 o 91.553  2.3322  1135.10   57.174    1130.25   81.747    1139.74   79.994    91.348  3.3410  91.757  3.2548  -0.4091873     4.664377 
1 1 1 1   -22 29 o 44.804  2.0087  272.114   23.959    280.439   34.816    264.626   33.020    45.449  2.8748  44.158  2.8063  1.290836       4.017478 
1 1 1 1   -22 30 o 57.488  2.0198  447.994   31.031    452.235   44.719    444.056   43.096    57.705  2.9026  57.271  2.8094  0.4340668      4.039507 
1 1 1 1   -22 31 o 62.994  2.0850  538.612   35.172    546.122   50.395    531.479   49.111    63.417  2.9669  62.571  2.9303  0.8454132      4.170027 
1 1 1 1   -22 32 o 57.960  2.0809  457.624   32.216    454.182   46.453    460.813   44.718    57.690  3.0167  58.230  2.8671  -0.5399323     4.161849 
1 1 1 1   -22 33 o 74.088  2.2402  749.985   44.441    746.463   63.546    753.356   62.176    73.899  3.2104  74.278  3.1252  -0.3797760     4.480333 
1 1 1 1   -22 34 o 49.605  2.1469  337.237   28.371    345.221   40.970    329.881   39.326    50.159  3.0642  49.050  3.0078  1.109543       4.293726 
1 1 1 1   -22 35 o 11.173  3.1639  9.1632    14.468    4.3917    20.004    14.397    20.950    10.369  4.3266  11.976  4.6175  -1.606764      6.327810 
1 1 1 1   -22 36 f 28.472  2.6503  114.293   19.531    134.628   28.474    96.226    26.840    30.988  3.4914  25.955  3.9884  5.033142       5.300685 
1 1 1 1   -22 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -22 38 o 25.177  3.0682  93.791    19.772    77.199    27.948    110.416   27.976    22.671  4.7544  27.683  3.8796  -5.012110      6.136422 
1 1 1 1   -22 39 o 23.079  3.3610  81.635    20.123    101.257   28.575    62.333    28.342    26.187  4.2171  19.971  5.2347  6.216095       6.722025 
1 1 1 1   -22 40 o 21.429  3.5427  72.330    20.018    79.602    28.107    64.845    28.515    22.684  4.7770  20.173  5.2329  2.510841       7.085382 
1 1 1 1   -22 41 o 14.531  3.3231  28.531    17.740    55.927    24.113    -3.7949   26.193    18.755  4.7847  10.306  4.6130  8.448364       6.646294 
1 1 1 1   -22 42 o 25.300  3.3717  102.862   21.843    132.181   31.383    75.313    30.421    29.441  4.0902  21.159  5.3612  8.282288       6.743335 
1 1 1 1   -22 43 o 14.833  3.6809  35.904    18.389    44.159    25.901    27.516    26.111    16.114  5.2388  13.552  5.1723  2.562373       7.361894 
1 1 1 1   -22 44 o 12.532  3.4538  17.795    18.236    39.026    25.872    -3.1695   25.708    15.107  5.2379  9.9561  4.5032  5.151124       6.907546 
1 1 1 1   -22 45 o 16.503  3.9703  50.210    21.053    53.149    28.902    46.887    30.730    17.026  5.5339  15.979  5.6947  1.046545       7.940608 
1 1 1 1   -22 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -22 47 o 11.467  3.4749  10.207    20.829    34.522    28.634    -17.1190  30.356    13.646  5.3596  9.2882  4.4244  4.358182       6.949817 
1 1 1 1   -22 48 o 18.348  4.0995  75.462    24.742    43.685    34.042    111.045   36.023    13.975  5.7187  22.722  5.8754  -8.747362      8.199003 
1 1 1 1   -21 0  o 152.458 3.1748  3128.03   129.641   3150.40   184.021   3105.99   182.667   152.999 4.4905  151.916 4.4892  1.082108       6.349566 
1 1 1 1   -21 1  o 92.196  2.2563  1140.80   55.710    1169.69   79.383    1112.77   78.201    93.347  3.1750  91.045  3.2068  2.301643       4.512611 
1 1 1 1   -21 2  o 273.302 5.2340  10124.31  383.145   10129.35  542.661   10119.31  541.041   273.365 7.4113  273.238 7.3926  0.1272583      10.46800 
1 1 1 1   -21 3  f 189.874 3.7608  4857.36   191.262   4887.51   271.261   4827.56   269.718   190.461 5.3173  189.288 5.3198  1.172180       7.521586 
1 1 1 1   -21 4  o 103.106 2.4144  1427.10   66.674    1448.85   94.719    1405.74   93.870    103.886 3.4040  102.327 3.4249  1.558578       4.828771 
1 1 1 1   -21 5  o 187.774 3.6886  4748.65   185.481   4875.11   263.039   4623.59   261.587   190.271 5.1613  185.276 5.2712  4.995102       7.377258 
1 1 1 1   -21 6  o 83.712  2.1477  940.444   48.145    919.398   68.193    961.360   67.982    82.776  3.0757  84.648  2.9984  -1.871964      4.295418 
1 1 1 1   -21 7  o 144.439 2.9875  2804.19   115.570   2854.60   163.792   2754.20   163.093   145.735 4.1960  143.142 4.2538  2.592850       5.975078 
1 1 1 1   -21 8  o 107.484 2.4583  1551.10   70.770    1567.57   100.020   1534.58   100.147   108.058 3.4557  106.911 3.4972  1.146461       4.916592 
1 1 1 1   -21 9  o 334.126 6.2699  15193.54  561.094   15371.21  793.758   15016.09  793.257   336.109 8.8170  332.144 8.9166  3.964569       12.53971 
1 1 1 1   -21 10 o 97.392  2.3000  1273.03   59.980    1232.05   84.432    1314.78   85.224    95.807  3.2902  98.977  3.2147  -3.169487      4.599954 
1 1 1 1   -21 11 o 56.623  1.8927  430.054   28.695    430.808   40.038    429.258   41.144    56.675  2.6375  56.571  2.7154  0.1044960      3.785454 
1 1 1 1   -21 12 f 51.227  1.9048  354.071   25.954    383.622   36.195    322.795   37.236    53.484  2.5266  48.969  2.8513  4.514950       3.809618 
1 1 1 1   -21 13 o 96.446  2.2756  1249.45   58.740    1293.88   82.600    1204.00   83.550    98.187  3.1408  94.705  3.2937  3.481979       4.551147 
1 1 1 1   -21 14 o 155.989 3.1730  3273.80   132.550   3338.11   187.137   3209.05   187.773   157.535 4.4350  154.444 4.5391  3.091232       6.346101 
1 1 1 1   -21 15 o 129.148 2.7082  2241.41   93.673    2267.63   132.111   2214.91   132.839   129.911 3.7967  128.384 3.8630  1.526596       5.416420 
1 1 1 1   -21 16 o 59.548  1.9000  475.556   30.295    458.368   42.475    493.354   43.223    58.452  2.7129  60.644  2.6609  -2.191730      3.800079 
1 1 1 1   -21 17 o 105.953 2.4034  1508.07   68.188    1543.14   96.182    1472.65   96.685    107.196 3.3499  104.710 3.4473  2.485466       4.806839 
1 1 1 1   -21 18 o 190.630 3.7475  4901.92   191.344   4927.26   270.479   4876.52   270.723   191.127 5.2835  190.133 5.3159  0.9949188      7.494961 
1 1 1 1   -21 19 o 106.314 2.4193  1518.51   68.890    1515.62   97.385    1521.41   97.467    106.212 3.4232  106.415 3.4195  -0.2028961     4.838511 
1 1 1 1   -21 20 o 156.456 3.1714  3297.59   132.894   3339.63   188.072   3255.66   187.810   157.457 4.4594  155.455 4.5105  2.002502       6.342759 
1 1 1 1   -21 21 o 172.708 3.4644  4025.24   160.249   4090.65   226.971   3960.22   226.282   174.115 4.8668  171.300 4.9318  2.815536       6.928806 
1 1 1 1   -21 22 o 164.837 3.3635  3668.02   148.497   3646.48   210.439   3689.38   209.577   164.349 4.7805  165.326 4.7328  -0.9771118     6.726945 
1 1 1 1   -21 23 o 108.202 2.4462  1575.17   70.888    1596.84   100.979   1554.11   99.539    108.936 3.4608  107.468 3.4580  1.467010       4.892304 
1 1 1 1   -21 24 o 84.189  2.2061  953.265   49.740    961.886   71.107    945.005   69.604    84.560  3.1395  83.819  3.1003  0.7406921      4.412269 
1 1 1 1   -21 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -21 26 o 73.833  2.1267  735.009   41.987    712.210   60.561    756.110   58.263    72.715  3.1094  74.950  2.9022  -2.235252      4.253420 
1 1 1 1   -21 27 o 98.354  2.3885  1306.81   62.875    1264.15   89.623    1348.16   88.232    96.754  3.4583  99.955  3.2956  -3.201279      4.777095 
1 1 1 1   -21 28 o 45.323  2.0393  280.228   24.419    247.486   35.253    310.429   33.858    42.710  3.1028  47.936  2.6472  -5.226017      4.078632 
1 1 1 1   -21 29 o 38.394  2.1126  200.031   21.538    207.322   31.213    193.404   29.758    39.062  3.0064  37.727  2.9689  1.334988       4.225240 
1 1 1 1   -21 30 o 14.048  2.9897  25.143    13.498    43.108    19.017    6.9049    19.162    17.429  4.1359  10.667  4.3184  6.761703       5.979475 
1 1 1 1   -21 31 o 54.843  2.0742  408.153   30.319    437.487   43.635    380.770   42.159    56.765  2.8793  52.920  2.9864  3.844929       4.148392 
1 1 1 1   -21 32 o 18.778  3.0525  50.203    15.202    64.930    22.075    36.919    20.966    21.428  3.9931  16.128  4.6180  5.300703       6.104970 
1 1 1 1   -21 33 o 46.168  2.1270  291.978   26.083    278.667   37.733    304.160   36.096    45.111  3.1424  47.224  2.8672  -2.112617      4.253922 
1 1 1 1   -21 34 o 23.871  2.8333  80.788    17.428    79.562    25.501    81.863    23.874    23.644  4.1797  24.099  3.8264  -0.4555206     5.666682 
1 1 1 1   -21 35 o 10.312  2.9619  -0.2278   14.301    -20.2905  20.387    19.208    20.066    7.9690  3.7445  12.655  4.5903  -4.686374      5.923832 
1 1 1 1   -21 36 o 13.326  3.2840  22.341    14.654    14.862    20.426    30.273    21.035    11.955  4.5718  14.697  4.7157  -2.741857      6.568066 
1 1 1 1   -21 37 f 23.122  3.1319  81.207    18.742    37.268    26.243    126.945   26.775    16.136  5.2746  30.108  3.3785  -13.97216      6.263841 
1 1 1 1   -21 38 o 60.128  3.3360  504.487   53.516    0.0000    0.0000    504.487   53.516    ?       ?       60.128  3.3360  ?              ?        
1 1 1 1   -21 39 o 16.852  3.1117  35.857    17.464    -1.4444   23.600    81.002    25.963    10.287  4.5012  23.418  4.2977  -13.13058      6.223444 
1 1 1 1   -21 40 o 14.007  3.5285  27.443    16.688    28.962    23.659    25.938    23.543    14.255  5.0051  13.758  4.9749  0.4961271      7.056977 
1 1 1 1   -21 41 f 18.710  3.5943  56.061    19.195    73.794    26.979    37.881    27.317    21.755  4.7621  15.665  5.3850  6.090425       7.188543 
1 1 1 1   -21 42 o 38.020  2.7169  214.888   27.248    203.929   38.550    225.831   38.519    36.931  3.9588  39.108  3.7221  -2.177330      5.433797 
1 1 1 1   -21 43 o 9.0291  2.9359  -9.8200   16.227    -10.8190  22.020    -8.6327   24.006    8.7365  4.0322  9.3217  4.2683  -0.5851974     5.871761 
1 1 1 1   -21 44 o 31.614  3.0826  157.472   25.371    147.933   34.927    168.129   36.916    30.558  4.3936  32.670  4.3250  -2.112381      6.165177 
1 1 1 1   -21 45 o 11.476  3.4517  5.0302    19.418    -14.4685  25.776    30.618    29.527    9.0572  4.2412  13.895  5.4470  -4.838118      6.903492 
1 1 1 1   -21 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -21 47 o 8.7408  2.9667  -24.2309  19.993    -33.1336  27.195    -13.7589  29.494    8.0165  3.9078  9.4650  4.4647  -1.448421      5.933318 
1 1 1 1   -21 48 o 10.541  3.2129  11.540    14.838    18.851    28.927    8.9287    17.286    11.652  5.0419  9.4308  3.9836  2.220942       6.425766 
1 1 1 1   -20 0  o 191.819 3.7922  4955.75   194.833   5009.72   276.267   4902.35   274.809   192.861 5.3481  190.777 5.3779  2.084000       7.584451 
1 1 1 1   -20 1  o 219.806 4.3149  6517.65   254.023   6448.44   359.906   6586.34   358.583   218.632 6.1459  220.980 6.0583  -2.348068      8.629878 
1 1 1 1   -20 2  o 92.042  2.2623  1136.65   55.771    1151.37   79.390    1122.31   78.364    92.630  3.1998  91.454  3.1991  1.176186       4.524681 
1 1 1 1   -20 3  o 87.489  2.2162  1026.93   51.923    1057.14   73.806    997.329   73.061    88.765  3.1043  86.214  3.1639  2.550667       4.432440 
1 1 1 1   -20 4  o 67.210  1.9686  606.319   35.407    579.702   50.252    632.562   49.897    65.741  2.8538  68.678  2.7125  -2.937042      3.937227 
1 1 1 1   -20 5  o 157.989 3.2083  3355.88   135.764   3362.59   192.481   3349.24   191.521   158.146 4.5440  157.833 4.5303  0.3122559      6.416545 
1 1 1 1   -20 6  o 144.021 3.0100  2787.55   116.096   2851.79   164.555   2723.89   163.817   145.678 4.2172  142.365 4.2960  3.313278       6.020048 
1 1 1 1   -20 7  o 114.376 2.5205  1756.65   77.179    1822.86   109.323   1690.87   108.974   116.530 3.5026  112.223 3.6254  4.307610       5.040957 
1 1 1 1   -20 8  o 321.365 6.1019  14029.41  525.235   14087.01  742.956   13971.86  742.634   322.033 8.6134  320.698 8.6455  1.335785       12.20389 
1 1 1 1   -20 9  o 101.848 2.3353  1392.14   63.706    1391.69   89.830    1392.60   90.359    101.832 3.2934  101.864 3.3118  -0.3206635E-01 4.670597 
1 1 1 1   -20 10 o 185.292 3.6417  4621.89   180.735   4603.95   255.314   4639.90   255.882   184.930 5.1544  185.653 5.1458  -0.7221375     7.283309 
1 1 1 1   -20 11 o 105.644 2.3783  1497.98   67.295    1492.95   94.617    1503.14   95.732    105.465 3.3494  105.823 3.3775  -0.3574219     4.756674 
1 1 1 1   -20 12 o 128.478 2.7067  2217.12   93.129    2159.42   131.234   2275.65   132.179   126.791 3.8643  130.166 3.7912  -3.374985      5.413495 
1 1 1 1   -20 13 o 275.000 5.2581  10242.51  387.301   10240.85  547.370   10244.17  548.083   274.979 7.4318  275.020 7.4403  -0.4092407E-01 10.51616 
1 1 1 1   -20 14 o 60.366  1.8726  488.470   30.211    445.465   42.126    534.006   43.349    57.629  2.7291  63.103  2.5647  -5.473522      3.745121 
1 1 1 1   -20 15 o 109.673 2.4297  1614.93   71.371    1618.11   100.581   1611.70   101.290   109.783 3.4205  109.563 3.4515  0.2201004      4.859301 
1 1 1 1   -20 16 o 156.896 3.1942  3311.35   134.221   3250.65   189.476   3372.48   190.158   155.448 4.5507  158.344 4.4836  -2.896698      6.388390 
1 1 1 1   -20 17 o 100.443 2.3230  1354.97   62.462    1403.62   88.179    1305.98   88.492    102.258 3.2194  98.628  3.3498  3.629990       4.646037 
1 1 1 1   -20 18 o 47.143  1.8601  299.283   23.354    320.011   33.118    278.780   32.938    48.780  2.5436  45.506  2.7148  3.274494       3.720160 
1 1 1 1   -20 19 o 50.447  1.8747  342.418   25.234    337.831   35.961    346.867   35.418    50.110  2.6891  50.784  2.6127  -0.6739960     3.749327 
1 1 1 1   -20 20 o 42.340  1.9232  241.332   21.680    254.247   31.100    229.122   30.238    43.449  2.6855  41.232  2.7539  2.217674       3.846501 
1 1 1 1   -20 21 o 81.090  2.1103  883.565   45.790    849.144   65.251    916.962   64.274    79.527  3.0633  82.653  2.9033  -3.125305      4.220504 
1 1 1 1   -20 22 f 23.518  2.5772  75.790    15.678    81.701    23.032    70.687    21.401    24.388  3.6371  22.647  3.6523  1.740923       5.154381 
1 1 1 1   -20 23 o 89.006  2.2419  1064.53   53.428    1057.55   76.461    1071.19   74.687    88.716  3.2177  89.295  3.1227  -0.5787659     4.483844 
1 1 1 1   -20 24 o 178.137 3.5885  4289.09   171.198   4390.22   243.155   4189.68   241.080   180.232 5.0369  176.043 5.1127  4.188690       7.177078 
1 1 1 1   -20 25 o 164.360 3.3614  3651.63   147.954   3745.82   210.339   3559.39   208.156   166.469 4.7173  162.250 4.7898  4.218491       6.722727 
1 1 1 1   -20 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -20 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -20 28 o 41.739  2.1133  237.519   23.292    214.631   33.832    258.143   32.116    39.771  3.2032  43.707  2.7574  -3.936649      4.226551 
1 1 1 1   -20 29 o 40.070  2.1021  218.256   22.332    208.160   32.340    227.459   30.875    39.154  3.1093  40.986  2.8298  -1.831692      4.204230 
1 1 1 1   -20 30 o 87.195  2.2927  1028.25   53.498    1087.80   76.324    970.741   75.008    89.693  3.1770  84.697  3.3064  4.996834       4.585328 
1 1 1 1   -20 31 o 32.210  2.3139  141.985   19.558    162.202   28.193    123.230   27.155    34.480  3.0853  29.940  3.4493  4.539978       4.627827 
1 1 1 1   -20 32 o 71.034  2.1917  684.249   41.686    709.841   59.728    659.944   58.206    72.334  3.0828  69.735  3.1162  2.598351       4.383440 
1 1 1 1   -20 33 o 75.628  2.2489  778.269   45.545    802.435   64.898    754.817   63.933    76.794  3.1551  74.462  3.2055  2.332268       4.497799 
1 1 1 1   -20 34 o 23.776  2.8312  80.678    17.235    69.962    25.033    90.334    23.763    22.113  4.3814  25.440  3.5870  -3.326651      5.662491 
1 1 1 1   -20 35 o 43.916  2.2270  264.971   26.010    257.259   36.893    272.592   36.675    43.258  3.2070  44.575  3.0909  -1.317329      4.454000 
1 1 1 1   -20 36 o 20.205  3.2796  59.487    17.378    62.755    24.863    56.365    24.298    20.767  4.5918  19.644  4.6840  1.122316       6.559282 
1 1 1 1   -20 37 o 15.992  3.0260  33.596    15.567    4.0127    21.595    65.600    22.461    10.643  4.4718  21.341  4.0779  -10.69828      6.051964 
1 1 1 1   -20 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -20 39 o 48.095  2.3506  323.894   30.087    333.577   42.802    314.436   42.303    48.829  3.2918  47.362  3.3564  1.467422       4.701232 
1 1 1 1   -20 40 o 31.879  2.8210  148.704   23.192    170.844   32.418    125.493   33.192    34.610  3.5471  29.148  4.3875  5.461861       5.641949 
1 1 1 1   -20 41 o 44.035  2.5664  279.775   29.918    297.568   42.001    261.447   42.628    45.602  3.4645  42.469  3.7872  3.133472       5.132832 
1 1 1 1   -20 42 o 35.907  2.7981  191.279   26.216    164.128   36.541    220.078   37.633    33.016  4.2293  38.797  3.6649  -5.780342      5.596279 
1 1 1 1   -20 43 o 26.473  3.3676  111.960   22.904    120.560   31.689    102.554   33.142    27.874  4.3896  25.073  5.1083  2.800810       6.735266 
1 1 1 1   -20 44 o 13.969  3.6207  30.612    17.792    33.880    24.673    27.072    25.682    14.463  5.1081  13.475  5.1328  0.9874697      7.241441 
1 1 1 1   -20 45 o 15.305  3.8854  40.313    20.686    49.642    28.669    30.182    29.878    16.679  5.5160  13.931  5.4736  2.748618       7.770861 
1 1 1 1   -20 46 o 27.290  4.0834  133.178   28.143    126.717   35.495    144.117   46.185    27.287  5.0423  27.294  6.4242  -0.7440567E-02 8.166712 
1 1 1 1   -20 47 o 8.0871  2.7373  -18.2698  13.682    -2.4974   27.536    -23.4401  15.766    10.052  4.5910  6.1218  2.9822  3.930570       5.474585 
1 1 1 1   -20 48 o 16.345  3.5917  44.666    16.482    73.953    30.103    32.129    19.696    19.255  5.5394  13.435  4.5734  5.820054       7.183402 
1 1 1 1   -19 0  o 148.949 3.1258  2981.78   124.704   2988.44   176.887   2975.20   175.834   149.113 4.4289  148.785 4.4122  0.3285065      6.251599 
1 1 1 1   -19 1  o 204.668 4.0314  5642.92   220.998   5682.96   313.273   5603.27   311.809   205.392 5.6944  203.944 5.7081  1.447983       8.062809 
1 1 1 1   -19 2  o 193.044 3.8045  5016.85   196.681   5140.36   278.969   4894.78   277.336   195.415 5.3298  190.672 5.4304  4.743729       7.608911 
1 1 1 1   -19 3  o 109.962 2.5006  1623.25   73.639    1599.13   104.531   1647.02   103.755   109.148 3.5755  110.776 3.4968  -1.627731      5.001208 
1 1 1 1   -19 4  o 125.017 2.6954  2098.84   90.245    2070.13   128.044   2127.18   127.213   124.164 3.8501  125.870 3.7733  -1.705780      5.390808 
1 1 1 1   -19 5  o 135.264 2.8427  2457.30   102.987   2490.61   145.989   2424.29   145.303   136.179 4.0024  134.350 4.0378  1.828766       5.685361 
1 1 1 1   -19 6  o 130.454 2.7598  2285.28   96.428    2317.45   136.592   2253.31   136.148   131.371 3.8818  129.537 3.9240  1.834488       5.519635 
1 1 1 1   -19 7  o 112.487 2.5038  1698.34   75.435    1683.26   106.644   1713.44   106.718   111.986 3.5554  112.987 3.5263  -1.001389      5.007529 
1 1 1 1   -19 8  o 348.149 6.5395  16479.15  609.747   16758.56  862.547   16200.04  862.078   351.142 9.1709  345.155 9.3249  5.986511       13.07892 
1 1 1 1   -19 9  o 91.451  2.1766  1122.13   53.269    1062.73   74.957    1182.75   75.717    89.002  3.1443  93.900  3.0105  -4.898109      4.353123 
1 1 1 1   -19 10 o 271.567 5.1458  9971.49   374.253   9778.46   528.821   10165.20  529.729   268.911 7.3419  274.223 7.2121  -5.312408      10.29166 
1 1 1 1   -19 11 o 76.422  1.9775  783.014   40.467    758.264   56.716    808.680   57.756    75.191  2.8161  77.652  2.7769  -2.461037      3.954951 
1 1 1 1   -19 12 f 76.998  1.9721  794.920   40.666    778.781   56.972    811.684   58.063    76.201  2.7913  77.795  2.7865  -1.593269      3.944139 
1 1 1 1   -19 13 o 119.098 2.5548  1904.48   81.494    1919.82   114.880   1888.93   115.624   119.583 3.5866  118.613 3.6394  0.9701920      5.109663 
1 1 1 1   -19 14 o 91.611  2.1882  1126.01   53.693    1115.25   75.619    1136.94   76.253    91.170  3.0966  92.052  3.0926  -0.8825531     4.376472 
1 1 1 1   -19 15 o 188.840 3.7165  4802.78   187.951   4896.46   265.613   4708.84   265.993   190.696 5.2002  186.985 5.3110  3.710922       7.432926 
1 1 1 1   -19 16 o 242.549 4.6232  7948.37   300.326   8059.71   424.590   7836.89   424.859   244.264 6.4896  240.833 6.5863  3.431213       9.246317 
1 1 1 1   -19 17 o 269.994 5.1767  9873.18   374.362   9896.05   529.394   9850.31   529.461   270.311 7.3118  269.678 7.3299  0.6329041      10.35330 
1 1 1 1   -19 18 o 85.994  2.1127  992.345   48.660    984.982   69.024    999.620   68.610    85.676  3.0078  86.312  2.9677  -0.6365204     4.225449 
1 1 1 1   -19 19 o 34.614  1.9826  161.641   18.200    173.126   26.148    150.849   25.348    35.820  2.7463  33.409  2.8602  2.410378       3.965211 
1 1 1 1   -19 20 o 145.616 3.0047  2851.42   117.181   2909.12   166.286   2794.50   165.158   147.084 4.2209  144.149 4.2776  2.934616       6.009456 
1 1 1 1   -19 21 o 183.518 3.6705  4539.40   180.419   4556.75   255.919   4522.27   254.391   183.865 5.1966  183.170 5.1851  0.6943970      7.340941 
1 1 1 1   -19 22 o 149.298 3.0785  2999.22   123.086   3078.62   174.997   2921.48   173.157   151.259 4.3194  147.337 4.3877  3.922028       6.157028 
1 1 1 1   -19 23 o 133.699 2.8351  2403.98   101.513   2463.98   144.670   2345.80   142.476   135.345 3.9907  132.054 4.0281  3.291046       5.670218 
1 1 1 1   -19 24 o 171.941 3.4362  3987.63   158.160   4167.93   224.874   3811.14   222.488   175.808 4.7754  168.074 4.9422  7.734116       6.872393 
1 1 1 1   -19 25 o 143.403 3.0165  2770.73   115.851   2827.34   164.932   2715.60   162.766   144.852 4.2510  141.954 4.2808  2.897263       6.032943 
1 1 1 1   -19 26 o 75.034  2.1379  756.974   42.944    748.578   61.549    764.939   59.947    74.623  3.0793  75.444  2.9665  -0.8212204     4.275822 
1 1 1 1   -19 27 o 104.570 2.5013  1472.89   70.054    1485.95   99.798    1460.21   98.360    105.025 3.5476  104.115 3.5271  0.9100494      5.002599 
1 1 1 1   -19 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -19 29 o 99.185  2.4429  1327.73   64.894    1339.42   92.535    1316.42   91.033    99.611  3.4682  98.758  3.4414  0.8528366      4.885891 
1 1 1 1   -19 30 o 58.297  2.0829  458.975   32.441    456.638   46.697    461.155   45.103    58.106  3.0107  58.487  2.8791  -0.3811340     4.165740 
1 1 1 1   -19 31 o 18.823  3.0426  50.134    15.007    52.802    21.492    47.594    20.965    19.320  4.2671  18.326  4.3383  0.9942017      6.085190 
1 1 1 1   -19 32 o 84.730  2.3085  973.518   52.368    1011.61   74.483    936.276   73.644    86.384  3.2191  83.077  3.3096  3.307411       4.616920 
1 1 1 1   -19 33 o 22.073  2.7929  68.734    15.847    79.026    22.601    58.780    22.226    23.806  3.6618  20.339  4.2181  3.466705       5.585796 
1 1 1 1   -19 34 o 26.786  2.5393  100.056   17.582    115.927   25.126    84.827    24.612    28.984  3.2951  24.589  3.8645  4.395176       5.078568 
1 1 1 1   -19 35 o 38.995  2.2381  208.838   23.167    215.507   32.872    202.256   32.655    39.630  3.1221  38.360  3.2077  1.270851       4.476255 
1 1 1 1   -19 36 o 27.288  2.6894  104.614   19.113    100.983   26.940    108.295   27.122    26.782  3.8676  27.794  3.7380  -1.012096      5.378716 
1 1 1 1   -19 37 o 23.635  2.9910  81.098    18.081    95.067    25.214    66.310    25.943    25.962  3.7333  21.308  4.6741  4.653961       5.982035 
1 1 1 1   -19 38 o 28.373  2.7537  114.466   20.243    129.001   28.889    100.444   28.375    30.274  3.6354  26.473  4.1371  3.800856       5.507401 
1 1 1 1   -19 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -19 40 o 19.199  3.5335  55.385    18.743    39.460    25.529    74.009    27.606    16.255  5.1929  22.144  4.7934  -5.889292      7.067043 
1 1 1 1   -19 41 o 13.233  3.2624  14.564    16.633    -11.2001  22.220    47.400    25.084    8.9910  4.1131  17.476  5.0650  -8.484601      6.524736 
1 1 1 1   -19 42 o 14.692  3.6130  31.899    17.949    41.637    24.521    20.659    26.345    16.273  5.0754  13.111  5.1436  3.161387       7.226056 
1 1 1 1   -19 43 o 16.694  3.8306  46.039    19.589    48.005    26.223    43.557    29.466    17.090  5.2352  16.299  5.5934  0.7916203      7.661163 
1 1 1 1   -19 44 o 10.579  3.1769  2.3656    16.992    20.360    23.120    -18.7713  25.058    12.399  4.8311  8.7597  4.1269  3.639332       6.353854 
1 1 1 1   -19 45 o 39.877  2.5189  239.893   25.388    231.072   41.810    245.045   31.953    38.601  4.1069  41.153  2.9177  -2.552601      5.037884 
1 1 1 1   -19 46 o 12.668  2.8434  24.843    13.853    -13.2380  24.499    42.741    16.795    8.9056  4.1587  16.430  3.8787  -7.524280      5.686787 
1 1 1 1   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -19 48 o 14.627  3.5705  39.429    16.405    37.578    31.303    40.130    19.262    14.104  5.5832  15.150  4.4521  -1.046045      7.140985 
1 1 1 1   -19 49 o 11.749  3.3874  23.223    16.415    17.924    30.432    25.397    19.494    11.503  5.0701  11.994  4.4935  -0.4912052     6.774745 
1 1 1 1   -18 0  o 79.364  2.0748  844.552   44.092    874.568   62.882    815.522   61.842    80.752  2.9072  77.977  2.9609  2.775703       4.149616 
1 1 1 1   -18 1  o 166.561 3.3800  3729.43   150.784   3777.39   213.909   3682.06   212.579   167.627 4.7643  165.494 4.7957  2.132767       6.759932 
1 1 1 1   -18 2  o 197.039 3.9020  5225.36   205.934   5251.04   291.918   5199.93   290.557   197.521 5.5177  196.557 5.5189  0.9638367      7.804077 
1 1 1 1   -18 3  o 214.227 4.1357  6180.00   237.304   6199.29   336.215   6160.85   334.985   214.560 5.8503  213.894 5.8471  0.6655884      8.271299 
1 1 1 1   -18 4  o 244.669 4.6770  8073.67   306.412   8318.57   434.074   7830.44   432.594   248.390 6.5244  240.948 6.7030  7.442581       9.354022 
1 1 1 1   -18 5  o 166.791 3.3533  3738.84   149.798   3798.44   212.196   3679.65   211.498   168.120 4.7123  165.463 4.7722  2.657059       6.706644 
1 1 1 1   -18 6  o 142.097 2.9531  2711.60   112.389   2678.46   159.035   2744.67   158.849   141.227 4.2042  142.967 4.1482  -1.740051      5.906189 
1 1 1 1   -18 7  o 164.684 3.2829  3644.59   144.786   3719.52   204.828   3569.76   204.688   166.381 4.5962  162.987 4.6887  3.394836       6.565706 
1 1 1 1   -18 8  o 336.430 6.3181  15346.64  569.302   15535.80  805.168   15157.53  805.061   338.529 8.8798  334.332 8.9900  4.197205       12.63611 
1 1 1 1   -18 9  o 153.727 3.1076  3174.62   127.932   3097.37   180.564   3252.48   181.284   151.844 4.4396  155.609 4.3494  -3.765030      6.215127 
1 1 1 1   -18 10 o 211.069 4.0757  5997.75   230.413   5947.28   325.488   6048.45   326.221   210.175 5.7818  211.962 5.7460  -1.786987      8.151418 
1 1 1 1   -18 11 f 90.356  2.1236  1094.95   51.393    1089.12   72.375    1100.87   72.991    90.114  2.9985  90.598  3.0079  -0.4840088     4.247165 
1 1 1 1   -18 12 o 213.665 4.1188  6148.40   235.717   6171.47   333.085   6125.25   333.625   214.070 5.8091  213.260 5.8406  0.8096008      8.237659 
1 1 1 1   -18 13 o 103.680 2.3394  1442.30   64.953    1405.16   91.542    1479.95   92.177    102.334 3.3397  105.026 3.2767  -2.691704      4.678725 
1 1 1 1   -18 14 o 76.277  1.9613  780.427   40.062    795.823   56.482    764.838   56.833    77.036  2.7373  75.519  2.8097  1.517220       3.922654 
1 1 1 1   -18 15 o 19.307  2.2829  51.402    11.382    49.338    16.156    53.435    16.037    18.900  3.3122  19.714  3.1426  -0.8137341     4.565823 
1 1 1 1   -18 16 o 301.608 5.7124  12333.39  461.475   12309.34  652.533   12357.46  652.716   301.311 8.0854  301.905 8.0717  -0.5946045     11.42476 
1 1 1 1   -18 17 o 122.527 2.6326  2016.09   86.394    2043.38   122.353   1988.95   122.008   123.356 3.7031  121.698 3.7430  1.657684       5.265245 
1 1 1 1   -18 18 o 133.254 2.7653  2385.59   98.694    2367.66   139.829   2403.39   139.320   132.753 3.9325  133.755 3.8888  -1.002518      5.530550 
1 1 1 1   -18 19 o 141.496 2.9207  2690.89   110.686   2735.36   157.098   2647.06   155.974   142.659 4.1113  140.333 4.1496  2.326172       5.841398 
1 1 1 1   -18 20 o 150.959 3.1399  3065.68   126.939   3021.19   180.209   3109.50   178.837   149.865 4.4894  152.054 4.3911  -2.188873      6.279823 
1 1 1 1   -18 21 o 103.114 2.3984  1427.79   66.224    1421.48   94.662    1433.84   92.678    102.887 3.4350  103.340 3.3483  -0.4531326     4.796886 
1 1 1 1   -18 22 o 26.209  2.3719  92.769    16.151    108.657   24.157    79.929    21.718    28.264  3.2502  24.153  3.4555  4.110563       4.743834 
1 1 1 1   -18 23 o 54.714  1.9878  402.949   28.990    392.292   42.271    412.412   39.832    53.985  2.9343  55.443  2.6822  -1.458096      3.975527 
1 1 1 1   -18 24 o 142.365 3.0019  2727.13   114.463   2751.12   162.978   2703.77   160.795   142.982 4.2556  141.749 4.2351  1.232758       6.003822 
1 1 1 1   -18 25 o 124.243 2.7552  2078.00   91.619    2008.25   130.449   2145.89   128.707   122.171 3.9864  126.314 3.8042  -4.143349      5.510305 
1 1 1 1   -18 26 o 108.591 2.5382  1586.56   73.799    1557.57   105.159   1614.69   103.593   107.605 3.6486  109.576 3.5296  -1.970718      5.076438 
1 1 1 1   -18 27 o 170.257 3.5008  3919.14   159.644   3963.57   226.471   3875.25   225.075   171.221 4.9382  169.294 4.9636  1.926743       7.001657 
1 1 1 1   -18 28 o 85.504  2.2816  984.695   52.210    951.230   74.461    1017.06   73.225    84.063  3.3070  86.944  3.1443  -2.881271      4.563252 
1 1 1 1   -18 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -18 30 f 65.920  2.1539  585.538   38.025    590.194   54.313    581.062   53.253    66.175  3.0643  65.666  3.0277  0.5090714      4.307768 
1 1 1 1   -18 31 o 23.871  2.6129  79.211    16.105    72.961    23.103    85.119    22.461    22.888  3.9089  24.855  3.4684  -1.966616      5.225790 
1 1 1 1   -18 32 o 97.755  2.4733  1295.91   64.740    1332.13   91.622    1259.79   91.490    99.135  3.4505  96.374  3.5443  2.761284       4.946504 
1 1 1 1   -18 33 f 14.778  3.2173  29.827    14.246    37.294    19.942    22.046    20.357    16.229  4.4531  13.327  4.6448  2.902414       6.434639 
1 1 1 1   -18 34 o 43.652  2.1720  260.026   25.233    260.434   35.668    259.617   35.703    43.688  3.0675  43.617  3.0758  0.7117462E-01  4.343983 
1 1 1 1   -18 35 o 23.376  2.8405  77.495    17.080    85.918    24.029    68.894    24.282    24.770  3.7381  21.983  4.2780  2.787334       5.681067 
1 1 1 1   -18 36 f 55.745  2.2331  426.251   33.163    446.430   46.639    405.615   47.165    57.124  3.0593  54.367  3.2538  2.757145       4.466149 
1 1 1 1   -18 37 f 22.785  2.9979  74.697    17.579    84.095    24.832    65.256    24.890    24.352  3.9417  21.218  4.5180  3.134064       5.995814 
1 1 1 1   -18 38 o 52.447  2.2843  379.610   31.920    366.037   44.508    393.985   45.803    51.472  3.2450  53.422  3.2160  -1.949837      4.568642 
1 1 1 1   -18 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -18 40 o 13.896  3.4711  25.495    16.088    21.062    21.604    31.015    24.104    12.961  4.7535  14.831  5.0593  -1.869356      6.942120 
1 1 1 1   -18 41 o 27.251  3.0103  109.033   21.213    100.635   29.093    118.565   30.996    26.083  4.3152  28.420  4.1983  -2.336857      6.020512 
1 1 1 1   -18 42 o 15.449  3.6602  34.452    18.382    21.151    24.911    50.354    27.238    13.094  5.0389  17.804  5.3101  -4.709451      7.320384 
1 1 1 1   -18 43 o 16.662  3.6154  44.697    19.902    67.039    26.447    15.520    30.222    20.504  4.8852  12.820  5.3310  7.683256       7.230780 
1 1 1 1   -18 44 o 19.660  3.1788  62.201    15.583    58.670    27.580    63.856    18.887    18.663  5.2804  20.658  3.5408  -1.994844      6.357619 
1 1 1 1   -18 45 o 7.2828  2.3550  -12.2350  11.490    -51.7797  21.737    3.0993    13.536    6.2762  3.1356  8.2894  3.5146  -2.013222      4.710049 
1 1 1 1   -18 46 o 14.301  3.1118  35.875    15.022    5.8195    27.489    48.670    17.936    11.028  4.8410  17.574  3.9112  -6.545831      6.223505 
1 1 1 1   -18 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -18 48 o 12.913  3.4076  28.592    16.394    13.078    30.093    35.140    19.550    11.600  5.0791  14.226  4.5443  -2.626575      6.815247 
1 1 1 1   -18 49 o 11.601  3.3058  21.541    16.565    1.1003    31.491    29.360    19.477    10.406  4.8096  12.795  4.5365  -2.388375      6.611521 
1 1 1 1   -17 0  o 134.764 2.8563  2438.30   103.096   2428.58   146.281   2447.89   145.324   134.495 4.0606  135.033 4.0180  -0.5370026     5.712501 
1 1 1 1   -17 1  o 160.246 3.2454  3449.44   139.294   3487.93   197.614   3411.43   196.376   161.135 4.5786  159.356 4.6008  1.779221       6.490848 
1 1 1 1   -17 2  o 263.539 5.0620  9369.39   357.255   9590.29   506.081   9149.96   504.394   266.655 7.0857  260.424 7.2310  6.231506       10.12396 
1 1 1 1   -17 3  o 194.393 3.8088  5082.26   198.250   4942.68   280.756   5221.06   279.980   191.719 5.4673  197.067 5.3042  -5.348618      7.617533 
1 1 1 1   -17 4  o 133.859 2.7989  2404.67   100.344   2448.29   142.271   2361.48   141.546   135.069 3.9325  132.649 3.9839  2.419815       5.597857 
1 1 1 1   -17 5  o 142.899 2.9606  2741.03   113.308   2788.19   160.457   2694.12   160.028   144.127 4.1565  141.671 4.2172  2.456818       5.921250 
1 1 1 1   -17 6  o 95.761  3.1306  1231.49   80.247    1241.04   111.749   1221.34   115.308   96.149  4.3392  95.373  4.5138  0.7753906      6.261253 
1 1 1 1   -17 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -17 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -17 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -17 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -17 11 o 138.548 4.0154  2580.04   148.948   2479.49   207.757   2686.38   213.655   135.769 5.7130  141.328 5.6441  -5.558487      8.030879 
1 1 1 1   -17 12 o 219.596 4.2246  6490.64   248.454   6371.39   351.017   6610.37   351.719   217.565 6.0235  221.626 5.9250  -4.060852      8.449141 
1 1 1 1   -17 13 o 169.292 3.3153  3850.89   150.317   3906.82   212.401   3794.76   212.760   170.528 4.6502  168.056 4.7266  2.472305       6.630599 
1 1 1 1   -17 14 o 234.959 4.4572  7439.18   280.469   7577.54   396.592   7300.75   396.693   237.158 6.2433  232.760 6.3629  4.398468       8.914398 
1 1 1 1   -17 15 o 32.478  1.7975  142.645   15.411    161.934   21.954    123.909   21.637    34.676  2.3781  30.280  2.6960  4.395546       3.595001 
1 1 1 1   -17 16 o 81.112  2.0095  882.436   43.632    922.630   61.961    842.901   61.451    82.946  2.7889  79.278  2.8940  3.668861       4.019069 
1 1 1 1   -17 17 f 80.599  2.0391  871.223   44.018    877.028   62.652    865.564   61.858    80.863  2.8926  80.334  2.8748  0.5294800      4.078195 
1 1 1 1   -17 18 o 127.403 2.6771  2179.55   91.352    2198.78   129.756   2160.66   128.634   127.960 3.7858  126.846 3.7861  1.114288       5.354146 
1 1 1 1   -17 19 o 97.906  2.2598  1286.04   59.255    1310.95   84.539    1261.98   83.077    98.838  3.1933  96.974  3.1984  1.864159       4.519656 
1 1 1 1   -17 20 o 151.056 3.0974  3067.79   125.317   3103.42   178.155   3032.89   176.310   151.924 4.3781  150.187 4.3828  1.736969       6.194891 
1 1 1 1   -17 21 o 122.710 2.6496  2022.41   87.080    2048.85   124.174   1996.81   122.150   123.499 3.7539  121.922 3.7404  1.577232       5.299294 
1 1 1 1   -17 22 o 168.460 3.3973  3820.01   153.282   3878.01   217.948   3763.23   215.618   169.727 4.7941  167.193 4.8148  2.534424       6.794560 
1 1 1 1   -17 23 o 50.642  1.9648  343.007   26.469    390.820   38.810    301.422   36.194    53.975  2.6845  47.309  2.8698  6.665710       3.929666 
1 1 1 1   -17 24 o 135.125 2.8907  2455.92   104.595   2416.87   148.809   2494.04   147.045   134.056 4.1443  136.195 4.0309  -2.138763      5.781312 
1 1 1 1   -17 25 o 168.529 3.4071  3827.39   153.785   3788.42   218.185   3865.87   216.791   167.668 4.8583  169.391 4.7782  -1.722427      6.814269 
1 1 1 1   -17 26 o 30.571  2.3586  126.840   18.894    144.115   27.357    111.085   26.126    32.603  3.1730  28.539  3.4905  4.063921       4.717156 
1 1 1 1   -17 27 o 66.004  2.1089  585.815   37.243    563.661   53.211    607.088   52.144    64.774  3.0670  67.234  2.8955  -2.460373      4.217892 
1 1 1 1   -17 28 o 217.381 4.3025  6421.53   250.513   6428.14   354.495   6414.93   354.064   217.492 6.0852  217.269 6.0841  0.2229309      8.604997 
1 1 1 1   -17 29 o 30.762  3.5943  129.629   28.108    141.922   44.724    121.603   36.136    31.902  5.4284  29.621  4.7125  2.281370       7.188540 
1 1 1 1   -17 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -17 31 o 54.717  2.1169  404.802   30.896    417.270   43.709    392.353   43.677    55.570  2.9471  53.865  3.0397  1.705013       4.233859 
1 1 1 1   -17 32 f 56.144  2.1137  426.654   31.671    423.534   44.754    429.784   44.824    55.936  2.9980  56.352  2.9803  -0.4157791     4.227383 
1 1 1 1   -17 33 o 8.3837  2.6171  -5.2301   11.562    -8.8796   16.053    -1.2968   16.666    7.8443  3.5523  8.9231  3.8441  -1.078863      5.234144 
1 1 1 1   -17 34 o 22.327  2.8750  71.995    16.313    88.613    22.490    53.546    23.696    25.310  3.4038  19.343  4.6344  5.966816       5.750070 
1 1 1 1   -17 35 o 39.926  2.2150  219.173   23.309    248.520   32.928    189.697   33.000    42.695  2.8965  37.157  3.3518  5.537529       4.429984 
1 1 1 1   -17 36 o 28.913  2.5060  116.430   18.946    122.840   26.465    109.691   27.135    29.790  3.3763  28.036  3.7041  1.753925       5.012031 
1 1 1 1   -17 37 f 10.552  2.8984  4.1891    13.565    22.313    18.116    -18.9383  20.464    13.001  4.3864  8.1035  3.7897  4.897418       5.796705 
1 1 1 1   -17 38 o 75.953  2.4189  796.761   49.087    842.117   68.549    749.024   70.325    78.269  3.2698  73.637  3.5656  4.631966       4.837834 
1 1 1 1   -17 39 f 51.347  2.3841  367.844   32.427    399.039   45.130    334.550   46.623    53.732  3.1495  48.961  3.5800  4.771446       4.768196 
1 1 1 1   -17 40 o 36.339  3.4861  205.539   30.384    150.417   48.391    241.414   39.039    31.252  5.9991  41.427  3.5527  -10.17486      6.972131 
1 1 1 1   -17 41 o 59.898  2.4628  507.096   39.235    520.112   54.062    492.610   57.031    60.845  3.3299  58.952  3.6294  1.892342       4.925563 
1 1 1 1   -17 42 o 20.323  3.1244  68.066    16.081    44.355    27.224    80.774    19.930    16.879  5.3594  23.767  3.2131  -6.888237      6.248753 
1 1 1 1   -17 43 o 27.981  2.6386  108.326   18.679    149.107   31.243    85.640    23.302    31.886  3.7287  24.076  3.7344  7.809061       5.277160 
1 1 1 1   -17 44 o 7.5028  2.4331  -7.3932   10.832    -26.4000  20.927    -0.4374   12.660    7.4032  3.5649  7.6024  3.3124  -0.1991806     4.866262 
1 1 1 1   -17 45 o 10.475  3.0945  9.2098    13.453    8.7436    25.275    9.3941    15.891    11.170  4.7712  9.7806  3.9420  1.389088       6.188981 
1 1 1 1   -17 46 o 15.547  3.3084  42.876    16.229    19.625    28.191    54.400    19.848    12.592  5.1843  18.502  4.1117  -5.910253      6.616889 
1 1 1 1   -17 47 o 11.093  5.0318  0.0755    32.367    0.0755    32.367    0.0000    0.0000    11.093  5.0318  ?       ?       ?              ?        
1 1 1 1   -17 48 o 15.676  3.6018  44.222    16.631    44.702    30.935    44.027    19.724    15.294  5.6741  16.058  4.4379  -0.7641888     7.203528 
1 1 1 1   -17 49 o 9.5440  3.0192  0.3163    14.101    17.578    26.971    -6.1774   16.542    11.500  4.9208  7.5882  3.4997  3.911596       6.038361 
1 1 1 1   -16 0  o 245.396 4.7347  8111.44   311.123   7902.30   440.316   8319.96   439.673   242.218 6.7869  248.575 6.6036  -6.356308      9.469401 
1 1 1 1   -16 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -16 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -16 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -16 4  o 372.328 6.9601  18743.17  694.113   18747.88  981.956   18738.46  981.292   372.374 9.8452  372.282 9.8410  0.9204102E-01  13.92021 
1 1 1 1   -16 5  o 153.872 3.0819  3176.56   127.017   3200.47   179.781   3152.74   179.477   154.450 4.3458  153.293 4.3712  1.157608       6.163825 
1 1 1 1   -16 6  o 75.303  1.9355  759.927   39.038    752.026   55.062    767.913   55.356    74.909  2.7443  75.697  2.7302  -0.7873993     3.871072 
1 1 1 1   -16 7  o 405.283 7.5640  22227.25  821.091   22074.04  1160.91   22380.61  1161.49   403.872 10.732  406.694 10.662  -2.821960      15.12797 
1 1 1 1   -16 8  o 196.221 3.7806  5169.99   198.688   5105.50   280.673   5234.77   281.303   194.992 5.3740  197.451 5.3190  -2.458450      7.561131 
1 1 1 1   -16 9  o 314.576 5.8698  13338.11  494.582   13332.70  699.157   13343.53  699.733   314.513 8.2994  314.640 8.3029  -0.1268921     11.73961 
1 1 1 1   -16 10 o 124.790 2.6071  2089.60   87.016    1953.24   122.645   2227.82   123.479   120.683 3.7941  128.897 3.5765  -8.213791      5.214119 
1 1 1 1   -16 11 o 254.271 4.8130  8700.14   327.755   8854.57   463.389   8545.54   463.641   256.540 6.7438  252.002 6.8689  4.538162       9.626039 
1 1 1 1   -16 12 o 172.929 3.3776  4015.00   156.436   4059.56   221.043   3970.29   221.425   173.893 4.7458  171.965 4.8073  1.928116       6.755149 
1 1 1 1   -16 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -16 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -16 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -16 16 o 81.050  2.0244  880.952   43.941    871.797   62.523    889.888   61.769    80.633  2.8949  81.467  2.8307  -0.8345032     4.048894 
1 1 1 1   -16 17 o 267.767 5.0800  9680.73   364.334   9753.97   515.916   9607.88   514.579   268.782 7.1662  266.751 7.2021  2.031189       10.15994 
1 1 1 1   -16 18 o 140.359 2.9202  2645.71   109.773   2703.09   156.089   2589.55   154.410   141.866 4.1077  138.851 4.1518  3.015610       5.840462 
1 1 1 1   -16 19 o 104.682 2.3598  1470.60   66.151    1468.54   94.485    1472.59   92.646    104.608 3.3722  104.757 3.3019  -0.1487808     4.719509 
1 1 1 1   -16 20 o 142.776 2.9793  2739.54   113.924   2728.64   162.150   2750.17   160.096   142.491 4.2485  143.060 4.1780  -0.5693665     5.958695 
1 1 1 1   -16 21 o 209.602 4.1001  5923.83   230.173   6008.95   326.732   5839.98   324.309   211.101 5.7785  208.102 5.8183  2.999023       8.200171 
1 1 1 1   -16 22 o 107.811 2.4467  1560.34   70.643    1578.41   100.955   1543.01   98.886    108.421 3.4764  107.201 3.4439  1.219841       4.893378 
1 1 1 1   -16 23 o 70.667  2.0413  669.260   38.606    708.720   55.580    632.473   53.665    72.679  2.8551  68.655  2.9183  4.023598       4.082619 
1 1 1 1   -16 24 o 113.666 2.5800  1735.38   78.543    1763.69   111.893   1707.88   110.278   114.580 3.6459  112.752 3.6515  1.827957       5.160076 
1 1 1 1   -16 25 o 163.126 3.3972  3584.15   148.424   3554.55   210.378   3613.49   209.433   162.450 4.8349  163.803 4.7735  -1.353180      6.794316 
1 1 1 1   -16 26 o 48.276  2.0852  313.969   26.832    317.098   38.221    310.928   37.677    48.514  2.9555  48.039  2.9424  0.4748459      4.170414 
1 1 1 1   -16 27 o 143.919 3.0486  2789.47   117.498   2856.56   166.440   2722.81   165.897   145.653 4.2663  142.186 4.3561  3.466980       6.097248 
1 1 1 1   -16 28 o 111.966 2.6041  1686.84   78.087    1718.52   110.608   1655.35   110.257   113.019 3.6538  110.914 3.7113  2.104698       5.208125 
1 1 1 1   -16 29 o 37.116  2.1794  186.419   21.449    197.733   30.661    175.577   30.016    38.234  3.0185  35.998  3.1445  2.236050       4.358840 
1 1 1 1   -16 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -16 31 o 22.625  2.9599  72.214    17.173    84.529    23.984    59.259    24.599    24.746  3.7347  20.505  4.5931  4.241140       5.919845 
1 1 1 1   -16 32 o 34.242  2.2422  159.610   20.215    139.609   28.157    180.882   29.038    31.980  3.3363  36.503  2.9964  -4.523642      4.484365 
1 1 1 1   -16 33 o 62.945  2.1598  536.570   36.315    553.931   50.874    518.534   51.854    64.039  2.9659  61.850  3.1404  2.188816       4.319583 
1 1 1 1   -16 34 o 57.102  2.1592  443.101   32.873    449.754   45.745    435.997   47.271    57.566  2.9770  56.638  3.1282  0.9286308      4.318305 
1 1 1 1   -16 35 o 73.323  2.2669  731.067   44.505    734.053   62.202    727.935   63.705    73.492  3.1599  73.153  3.2512  0.3382111      4.533839 
1 1 1 1   -16 36 o 20.929  3.0086  65.029    16.329    88.608    22.585    39.204    23.636    25.246  3.4286  16.612  4.9448  8.633602       6.017159 
1 1 1 1   -16 37 o 79.348  2.3944  864.517   50.778    908.670   70.879    817.964   72.780    81.507  3.2467  77.190  3.5201  4.316338       4.788743 
1 1 1 1   -16 38 o 75.901  2.4002  793.334   48.716    819.409   67.768    765.451   70.079    77.262  3.2747  74.540  3.5100  2.722153       4.800392 
1 1 1 1   -16 39 o 26.146  3.1250  104.710   20.077    142.079   27.458    61.775    29.431    31.963  3.2526  20.330  5.3370  11.63295       6.250040 
1 1 1 1   -16 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -16 41 o 25.902  2.7010  99.295    17.148    86.878    28.182    106.596   21.609    24.210  4.5121  27.595  2.9704  -3.385519      5.402080 
1 1 1 1   -16 42 o 9.5443  2.7339  5.1054    11.712    -12.5742  19.744    14.705    14.549    8.2852  3.8219  10.803  3.9101  -2.518284      5.467702 
1 1 1 1   -16 43 o 6.5837  2.2039  -18.7537  10.940    -51.0664  20.079    -5.1109   13.047    6.0098  3.0041  7.1577  3.2254  -1.147928      4.407743 
1 1 1 1   -16 44 o 10.308  2.8167  10.384    12.286    -12.1997  21.678    21.070    14.912    8.6258  3.9880  11.990  3.9788  -3.364243      5.633398 
1 1 1 1   -16 45 f 26.385  3.0106  107.221   19.641    111.589   33.055    104.838   24.419    26.243  4.8823  26.528  3.5239  -0.2843971     6.021149 
1 1 1 1   -16 46 o 17.301  3.3733  52.749    16.309    37.969    28.945    59.624    19.740    15.028  5.5035  19.574  3.9021  -4.545753      6.746518 
1 1 1 1   -16 47 o 39.161  2.7320  238.777   26.809    224.327   44.070    247.266   33.778    37.307  4.5012  41.015  3.0976  -3.707985      5.464035 
1 1 1 1   -16 48 o 17.035  3.4003  56.812    18.033    24.858    32.820    70.631    21.583    13.098  5.5086  20.972  3.9879  -7.873307      6.800613 
1 1 1 1   -16 49 o 9.1423  2.9371  0.6511    13.879    -2.4169   28.353    1.6181    15.917    9.9494  4.5862  8.3352  3.6706  1.614117       5.874234 
1 1 1 1   -15 0  o 223.468 4.3101  6711.08   257.944   6582.28   365.161   6839.35   364.417   221.320 6.1599  225.616 6.0303  -4.296356      8.620288 
1 1 1 1   -15 1  o 473.257 8.7899  30373.55  1114.13   29958.13  1575.90   30788.67  1575.34   469.980 12.519  476.534 12.342  -6.554169      17.57977 
1 1 1 1   -15 2  o 21.835  1.8991  64.868    10.864    67.705    15.405    62.061    15.323    22.325  2.6264  21.345  2.7437  0.9794712      3.798138 
1 1 1 1   -15 3  o 284.826 5.3997  10908.47  411.922   11050.62  583.065   10766.84  582.026   286.685 7.5932  282.967 7.6792  3.717682       10.79938 
1 1 1 1   -15 4  o 237.985 4.4972  7605.18   286.643   7727.89   405.750   7482.92   404.998   239.906 6.3144  236.064 6.4052  3.841934       8.994340 
1 1 1 1   -15 5  o 127.340 2.6656  2173.60   90.915    2191.38   128.569   2155.82   128.577   127.861 3.7541  126.819 3.7852  1.042381       5.331153 
1 1 1 1   -15 6  o 209.390 4.0324  5883.63   226.133   5783.41   319.580   5984.13   320.020   207.601 5.7473  211.179 5.6577  -3.578339      8.064752 
1 1 1 1   -15 7  o 217.355 4.1700  6340.21   242.769   6340.86   343.099   6339.55   343.556   217.366 5.8930  217.343 5.9015  0.2308655E-01  8.340005 
1 1 1 1   -15 8  o 200.428 3.8600  5390.10   207.179   5257.23   292.596   5523.69   293.397   197.946 5.5186  202.909 5.3984  -4.962677      7.719992 
1 1 1 1   -15 9  o 99.160  2.2040  1317.69   58.536    1324.09   82.525    1311.21   83.043    99.403  3.0995  98.917  3.1343  0.4854813      4.408053 
1 1 1 1   -15 10 o 279.297 5.2614  10485.11  393.593   10549.86  556.412   10420.25  556.837   280.164 7.4147  278.431 7.4666  1.733276       10.52275 
1 1 1 1   -15 11 o 45.425  1.6878  277.357   20.393    245.259   28.617    310.474   29.068    42.711  2.5126  48.140  2.2543  -5.429356      3.375659 
1 1 1 1   -15 12 f 260.030 4.9006  9090.44   341.203   9368.15   482.584   8812.84   482.483   264.017 6.8242  256.044 7.0352  7.972778       9.801254 
1 1 1 1   -15 13 o 133.792 2.7559  2400.65   98.739    2455.25   139.610   2346.02   139.665   135.316 3.8519  132.268 3.9423  3.048019       5.511714 
1 1 1 1   -15 14 o 277.708 5.2314  10381.55  389.131   10354.01  550.381   10409.08  550.247   277.338 7.4091  278.078 7.3876  -0.7406921     10.46284 
1 1 1 1   -15 15 o 198.249 3.8769  5280.34   205.861   5340.60   291.539   5220.42   290.725   199.380 5.4592  197.119 5.5064  2.261383       7.753883 
1 1 1 1   -15 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -15 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -15 18 o 50.198  1.8070  338.167   24.182    347.752   35.319    329.710   33.178    50.865  2.6011  49.531  2.5090  1.334206       3.613974 
1 1 1 1   -15 19 o 267.852 5.0786  9690.27   364.326   9561.99   516.171   9817.62   514.304   266.067 7.2429  269.638 7.1211  -3.571289      10.15729 
1 1 1 1   -15 20 o 166.879 3.3579  3744.58   150.084   3736.54   213.362   3752.46   211.158   166.698 4.7786  167.061 4.7189  -0.3629303     6.715880 
1 1 1 1   -15 21 o 223.188 4.3494  6720.31   259.964   6606.46   368.620   6832.96   366.676   221.289 6.2191  225.087 6.0820  -3.797394      8.698726 
1 1 1 1   -15 22 o 103.421 2.4150  1436.59   66.862    1403.22   95.370    1468.85   93.766    102.234 3.4828  104.608 3.3465  -2.373322      4.829995 
1 1 1 1   -15 23 f 176.748 3.5651  4207.22   168.756   4141.75   239.138   4272.17   238.179   175.368 5.0911  178.127 4.9921  -2.758728      7.130230 
1 1 1 1   -15 24 o 77.772  2.1379  811.508   44.525    836.359   63.484    787.448   62.465    78.945  3.0023  76.600  3.0445  2.345345       4.275847 
1 1 1 1   -15 25 o 91.493  2.3121  1123.83   56.655    1148.40   80.473    1099.67   79.777    92.487  3.2485  90.500  3.2911  1.986504       4.624280 
1 1 1 1   -15 26 o 292.731 5.6147  11656.24  440.225   11588.00  622.427   11724.55  622.718   291.861 7.9620  293.600 7.9185  -1.739288      11.22930 
1 1 1 1   -15 27 o 189.142 3.7980  4829.63   192.360   4954.11   271.981   4705.05   272.095   191.600 5.2997  186.683 5.4416  4.916870       7.595929 
1 1 1 1   -15 28 o 143.095 3.0692  2758.81   117.607   2820.69   166.095   2696.59   166.550   144.715 4.2850  141.475 4.3952  3.239914       6.138309 
1 1 1 1   -15 29 f 75.497  2.1961  766.104   44.405    769.482   62.392    762.637   63.211    75.668  3.0784  75.326  3.1330  0.3419876      4.392279 
1 1 1 1   -15 30 o 61.080  2.1166  501.776   34.619    507.153   48.568    496.222   49.358    61.416  2.9524  60.744  3.0337  0.6721382      4.233206 
1 1 1 1   -15 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -15 32 o 44.711  2.1761  270.543   25.877    266.498   35.706    275.018   37.555    44.367  3.0227  45.056  3.1313  -0.6893234     4.352196 
1 1 1 1   -15 33 o 65.279  2.1800  575.623   38.095    580.908   53.140    570.035   54.641    65.598  3.0244  64.961  3.1403  0.6369400      4.359912 
1 1 1 1   -15 34 o 18.102  3.0607  45.939    14.967    30.653    20.490    63.426    21.916    14.961  4.6351  21.244  3.9984  -6.283030      6.121388 
1 1 1 1   -15 35 f 69.992  2.2508  665.968   42.139    684.242   58.617    646.423   60.621    71.017  3.0815  68.967  3.2817  2.049973       4.501685 
1 1 1 1   -15 36 o 13.021  3.1838  21.410    13.752    26.970    18.314    14.224    20.821    14.004  4.3893  12.038  4.6130  1.965581       6.367574 
1 1 1 1   -15 37 o 33.166  2.5133  154.137   21.659    174.820   29.997    131.610   31.305    35.653  3.1744  30.680  3.8975  4.973101       5.026689 
1 1 1 1   -15 38 f 74.651  2.3849  766.209   47.603    790.105   66.103    740.466   68.609    75.927  3.2504  73.375  3.4909  2.552238       4.769855 
1 1 1 1   -15 39 o 39.553  2.1633  216.859   22.293    209.678   34.740    221.887   29.068    38.869  3.3702  40.237  2.7130  -1.368046      4.326509 
1 1 1 1   -15 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -15 41 o 15.210  3.1495  34.451    13.358    30.227    23.044    36.589    16.392    14.631  4.9470  15.789  3.8993  -1.158200      6.299015 
1 1 1 1   -15 42 o 19.574  3.1686  60.252    15.832    48.267    26.720    66.735    19.653    17.660  5.2576  21.487  3.5380  -3.826601      6.337186 
1 1 1 1   -15 43 o 38.773  2.3573  211.616   23.672    230.212   38.384    200.202   30.071    39.911  3.6303  37.636  3.0081  2.274185       4.714670 
1 1 1 1   -15 44 o 11.228  3.1647  10.760    13.535    23.391    24.159    4.9812    16.340    13.139  4.9847  9.3157  3.9006  3.823804       6.329439 
1 1 1 1   -15 45 o 37.688  2.5127  209.709   24.175    211.408   39.494    208.690   30.572    37.327  4.0132  38.049  3.0248  -0.7222824     5.025416 
1 1 1 1   -15 46 o 14.549  3.5091  34.511    15.905    32.450    28.462    35.446    19.178    14.303  5.4142  14.795  4.4656  -0.4921980     7.018154 
1 1 1 1   -15 47 o 12.416  3.3408  22.843    15.581    7.9688    29.238    28.743    18.413    11.451  5.0104  13.381  4.4204  -1.929621      6.681641 
1 1 1 1   -15 48 o 24.387  3.6460  110.375   22.087    86.431    37.860    122.730   27.194    20.659  6.2829  28.116  3.7011  -7.457090      7.291992 
1 1 1 1   -15 49 o 10.400  3.1936  9.5239    16.090    5.6632    27.627    11.506    19.794    10.559  4.7311  10.241  4.2909  0.3185444      6.387142 
1 1 1 1   -14 0  o 181.109 3.6161  4402.73   175.230   4175.02   248.006   4629.73   247.621   176.422 5.2483  185.796 4.9758  -9.374161      7.232100 
1 1 1 1   -14 1  o 240.223 4.5986  7746.33   295.849   7604.12   418.804   7887.98   417.985   238.017 6.5692  242.430 6.4370  -4.412674      9.197290 
1 1 1 1   -14 2  o 173.424 3.4660  4032.43   160.990   4090.43   228.177   3974.94   227.174   174.667 4.8772  172.182 4.9259  2.485443       6.931923 
1 1 1 1   -14 3  o 370.550 6.9188  18473.04  686.307   19215.19  971.508   17733.71  969.665   378.012 9.5951  363.089 9.9706  14.92361       13.83760 
1 1 1 1   -14 4  o 448.622 8.2570  27110.12  992.183   27175.13  1403.36   27045.15  1402.95   449.162 11.665  448.082 11.690  1.080963       16.51403 
1 1 1 1   -14 5  o 121.950 2.5929  1992.89   84.689    2018.54   119.710   1967.20   119.827   122.735 3.6414  121.164 3.6923  1.571716       5.185833 
1 1 1 1   -14 6  o 138.624 2.8472  2575.24   105.714   2553.40   149.272   2597.21   149.733   138.034 4.0374  139.213 4.0156  -1.179657      5.694361 
1 1 1 1   -14 7  o 279.483 5.2358  10485.45  391.873   10244.62  553.756   10727.04  554.630   276.261 7.4836  282.705 7.3246  -6.443420      10.47155 
1 1 1 1   -14 8  o 103.144 2.3006  1430.94   63.075    1219.47   88.686    1647.39   89.726    95.400  3.4707  110.888 3.0209  -15.48883      4.601300 
1 1 1 1   -14 9  o 556.147 10.260  41798.16  1528.39   41949.84  2161.31   41646.44  2161.62   557.166 14.482  555.128 14.538  2.037476       20.52046 
1 1 1 1   -14 10 o 422.977 7.8041  24092.42  884.151   24030.39  1250.10   24154.50  1250.65   422.430 11.048  423.524 11.025  -1.094391      15.60815 
1 1 1 1   -14 11 o 326.646 6.0951  14343.61  533.099   14761.30  754.079   13926.28  753.753   331.417 8.4948  321.874 8.7429  9.543549       12.19013 
1 1 1 1   -14 12 o 168.507 3.3189  3807.83   149.756   3910.38   211.798   3705.31   211.774   170.779 4.6302  166.235 4.7562  4.543472       6.637805 
1 1 1 1   -14 13 o 510.195 9.4603  35232.11  1292.68   35779.21  1828.58   34685.54  1827.68   514.195 13.277  506.195 13.480  8.000427       18.92061 
1 1 1 1   -14 14 f 19.175  2.3173  51.569    11.312    41.208    16.400    60.974    15.624    17.207  3.6704  21.144  2.8298  -3.937445      4.634584 
1 1 1 1   -14 15 o 37.889  1.7523  193.478   17.641    188.208   25.653    198.207   24.299    37.389  2.5773  38.389  2.3748  -0.9994659     3.504613 
1 1 1 1   -14 16 o 132.244 2.7617  2345.58   97.810    2329.76   139.099   2361.07   137.563   131.801 3.9402  132.687 3.8707  -0.8859253     5.523308 
1 1 1 1   -14 17 o 98.065  2.2685  1289.05   59.577    1303.81   85.204    1274.93   83.335    98.613  3.2258  97.516  3.1905  1.097130       4.537091 
1 1 1 1   -14 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -14 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -14 20 o 56.381  1.8332  425.821   27.666    435.616   40.022    416.856   38.287    57.001  2.6213  55.762  2.5635  1.239601       3.666446 
1 1 1 1   -14 21 o 106.004 2.4282  1507.96   68.937    1511.43   98.219    1504.59   96.780    106.123 3.4554  105.885 3.4124  0.2377548      4.856358 
1 1 1 1   -14 22 o 67.415  1.9695  609.348   35.547    636.108   50.741    583.558   49.814    68.869  2.7507  65.960  2.8195  2.908401       3.939075 
1 1 1 1   -14 23 o 61.399  1.9541  505.542   32.132    518.355   45.805    493.128   45.086    62.165  2.7509  60.633  2.7762  1.532425       3.908257 
1 1 1 1   -14 24 o 114.768 2.5924  1769.29   79.681    1803.51   112.772   1735.16   112.601   115.879 3.6333  113.657 3.6988  2.222824       5.184806 
1 1 1 1   -14 25 o 115.659 2.6284  1797.23   81.421    1815.02   115.098   1779.41   115.195   116.234 3.6970  115.084 3.7371  1.149788       5.256732 
1 1 1 1   -14 26 o 98.650  2.4088  1306.87   63.642    1283.25   89.684    1330.83   90.327    97.751  3.4254  99.549  3.3876  -1.798790      4.817545 
1 1 1 1   -14 27 o 70.612  2.1439  670.141   40.485    710.894   57.117    628.994   57.392    72.777  2.9301  68.446  3.1305  4.331108       4.287805 
1 1 1 1   -14 28 o 148.368 3.1634  2965.01   125.706   2971.47   177.033   2958.46   178.528   148.536 4.4497  148.201 4.4974  0.3345032      6.326712 
1 1 1 1   -14 29 o 211.614 4.2122  6068.40   238.734   6122.01   336.733   6014.23   338.515   212.571 5.9142  210.656 5.9995  1.914688       8.424434 
1 1 1 1   -14 30 o 66.712  2.1555  599.610   38.422    639.718   53.910    558.203   54.775    68.995  2.9172  64.429  3.1741  4.565956       4.311000 
1 1 1 1   -14 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -14 32 o 86.773  2.3671  1015.59   54.999    1017.66   76.858    1013.42   78.738    86.872  3.3031  86.675  3.3916  0.1975021      4.734244 
1 1 1 1   -14 33 o 26.962  2.5812  99.678    17.917    80.569    24.455    121.819   26.324    24.080  3.9270  29.844  3.3511  -5.763830      5.162454 
1 1 1 1   -14 34 o 54.996  2.1628  409.711   31.712    399.025   43.858    421.419   45.908    54.250  3.0304  55.743  3.0868  -1.493446      4.325687 
1 1 1 1   -14 35 o 20.630  2.9727  61.686    15.775    72.459    21.326    48.667    23.443    22.806  3.6115  18.455  4.7229  4.351376       5.945465 
1 1 1 1   -14 36 o 50.688  2.2032  349.791   29.733    333.056   40.924    368.502   43.273    49.404  3.1085  51.972  3.1230  -2.567455      4.406355 
1 1 1 1   -14 37 o 44.130  2.0382  262.957   23.785    289.781   36.421    243.010   31.408    46.053  2.9684  42.206  2.7940  3.846607       4.076493 
1 1 1 1   -14 38 o 35.755  2.1360  170.015   19.921    216.030   31.555    139.523   25.687    39.683  2.9908  31.828  3.0505  7.855036       4.271996 
1 1 1 1   -14 39 o 20.965  2.7588  61.270    14.672    71.434    23.517    54.794    18.773    22.329  4.0826  19.601  3.7116  2.727896       5.517592 
1 1 1 1   -14 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -14 41 o 20.431  2.9225  60.908    15.020    61.653    24.592    60.465    18.969    20.338  4.6196  20.524  3.5809  -0.1863518     5.844956 
1 1 1 1   -14 42 o 23.086  2.9893  81.180    16.921    70.077    28.165    87.451    21.167    21.369  5.0080  24.802  3.2657  -3.432594      5.978698 
1 1 1 1   -14 43 o 27.862  2.8442  120.765   18.952    92.431    30.954    137.756   23.970    24.454  4.8967  31.270  2.8947  -6.816311      5.688326 
1 1 1 1   -14 44 o 14.835  3.2979  34.907    14.567    26.881    25.399    38.841    17.783    13.786  5.1361  15.884  4.1383  -2.097672      6.595865 
1 1 1 1   -14 45 o 17.798  3.4333  50.654    16.090    54.877    28.377    48.653    19.534    17.976  5.4334  17.620  4.1987  0.3557930      6.866599 
1 1 1 1   -14 46 o 32.858  2.6120  155.509   21.912    193.329   36.869    134.856   27.245    35.596  3.9326  30.120  3.4388  5.476246       5.224071 
1 1 1 1   -14 47 f 14.102  3.4666  33.263    16.186    22.201    29.207    38.165    19.445    12.956  5.2989  15.248  4.4710  -2.291792      6.933182 
1 1 1 1   -14 48 o 13.785  2.8043  26.830    16.625    -42.7156  28.822    61.503    20.351    7.9799  3.9177  19.589  4.0136  -11.60953      5.608679 
1 1 1 1   -14 49 o 16.599  3.6995  47.946    17.441    69.603    31.035    37.948    21.086    18.645  5.6925  14.553  4.7267  4.092858       7.399058 
1 1 1 1   -13 0  o 163.000 3.2914  3561.24   143.698   3558.08   203.566   3564.38   202.874   162.928 4.6647  163.073 4.6447  -0.1447296     6.582733 
1 1 1 1   -13 1  o 55.942  1.8173  419.521   27.209    403.219   38.650    435.539   38.311    54.864  2.6301  57.021  2.5084  -2.157120      3.634502 
1 1 1 1   -13 2  o 430.696 8.0091  24953.39  923.943   24914.23  1307.08   24992.51  1306.22   430.356 11.339  431.036 11.314  -0.6798096     16.01829 
1 1 1 1   -13 3  o 527.706 9.7219  37536.69  1373.82   38511.65  1943.89   36563.77  1941.85   534.595 13.576  520.818 13.920  13.77740       19.44388 
1 1 1 1   -13 4  o 122.596 2.6217  2013.76   86.088    2009.70   121.697   2017.82   121.798   122.472 3.7098  122.719 3.7054  -0.2474289     5.243368 
1 1 1 1   -13 5  o 402.951 7.4225  21824.87  801.032   21471.14  1132.41   22179.13  1133.25   399.672 10.578  406.230 10.415  -6.558594      14.84497 
1 1 1 1   -13 6  f 142.141 2.9125  2707.35   110.886   2710.54   156.556   2704.13   157.079   142.226 4.1096  142.057 4.1283  0.1687012      5.825078 
1 1 1 1   -13 7  o 173.691 3.3811  4043.33   157.296   4034.98   222.152   4051.74   222.751   173.511 4.7801  173.871 4.7830  -0.3598328     6.762130 
1 1 1 1   -13 8  o 210.637 4.0043  5948.73   225.888   5824.85   319.084   6073.19   319.824   208.437 5.7153  212.838 5.6101  -4.401306      8.008661 
1 1 1 1   -13 9  o 333.525 6.1829  14937.62  552.285   14682.21  780.594   15193.63  781.506   330.663 8.8136  336.386 8.6737  -5.723785      12.36576 
1 1 1 1   -13 10 o 264.716 5.0242  9401.98   356.212   9518.24   503.679   9285.65   503.840   266.356 7.0600  263.075 7.1503  3.280457       10.04837 
1 1 1 1   -13 11 o 448.182 8.2863  27040.27  994.704   27260.26  1406.81   26820.33  1406.63   450.014 11.671  446.350 11.766  3.664459       16.57261 
1 1 1 1   -13 12 o 523.145 9.6189  36926.69  1347.72   37484.93  1906.42   36368.98  1905.51   527.126 13.503  519.164 13.703  7.962158       19.23775 
1 1 1 1   -13 13 o 243.421 4.6411  7950.85   302.566   8097.17   428.334   7805.15   427.452   245.660 6.5097  241.182 6.6169  4.477921       9.282198 
1 1 1 1   -13 14 o 244.306 4.6127  8010.07   301.839   8068.79   427.529   7951.72   426.203   245.200 6.5096  243.412 6.5371  1.787399       9.225448 
1 1 1 1   -13 15 f 229.586 4.4122  7074.85   271.317   7153.48   384.529   6996.91   382.875   230.858 6.2186  228.314 6.2609  2.543839       8.824399 
1 1 1 1   -13 16 o 337.207 6.2807  15311.07  567.242   15541.06  803.356   15082.40  801.050   339.743 8.8281  334.671 8.9362  5.072876       12.56150 
1 1 1 1   -13 17 o 218.363 4.2008  6404.70   245.688   6378.42   348.512   6430.66   346.409   217.914 5.9709  218.811 5.9106  -0.8971100     8.401622 
1 1 1 1   -13 18 o 94.971  2.2390  1209.77   56.922    1186.96   81.442    1231.56   79.590    94.094  3.2315  95.849  3.1001  -1.755363      4.478075 
1 1 1 1   -13 19 o 95.768  3.2118  1232.25   82.285    1210.89   118.754   1251.97   114.122   94.962  4.6688  96.574  4.4119  -1.611038      6.423563 
1 1 1 1   -13 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -13 21 o 227.397 4.3866  6968.11   267.158   7073.29   378.243   6863.41   377.395   229.118 6.1634  225.676 6.2434  3.442657       8.773150 
1 1 1 1   -13 22 o 152.486 3.1448  3125.13   128.432   3074.76   181.627   3175.51   181.634   151.252 4.4832  153.719 4.4114  -2.466949      6.289684 
1 1 1 1   -13 23 o 159.740 3.2896  3431.72   140.745   3455.34   199.006   3408.07   199.080   160.292 4.6352  159.187 4.6691  1.104950       6.579121 
1 1 1 1   -13 24 o 84.266  2.1933  952.846   49.504    946.877   69.770    958.898   70.250    84.000  3.1010  84.532  3.1027  -0.5314560     4.386634 
1 1 1 1   -13 25 o 91.793  2.3107  1131.30   56.801    1146.07   79.929    1116.24   80.733    92.401  3.2296  91.185  3.3055  1.215683       4.621320 
1 1 1 1   -13 26 o 80.637  2.2308  874.022   48.116    913.649   67.444    832.945   68.666    82.507  3.0518  78.767  3.2547  3.739883       4.461696 
1 1 1 1   -13 27 o 5.8467  2.0409  -36.3961  11.356    -43.2071  15.408    -28.2968  16.802    5.2277  2.6159  6.4657  3.1333  -1.238080      4.081736 
1 1 1 1   -13 28 o 51.596  2.0598  358.125   28.335    348.216   39.270    368.885   40.924    50.852  2.8951  52.341  2.9309  -1.488789      4.119677 
1 1 1 1   -13 29 o 145.777 3.1351  2862.79   122.396   2798.58   172.008   2928.64   174.202   144.117 4.4560  147.436 4.4112  -3.319824      6.270168 
1 1 1 1   -13 30 o 103.135 2.5525  1433.44   70.410    1498.33   98.646    1366.04   100.531   105.534 3.4898  100.736 3.7259  4.798096       5.104937 
1 1 1 1   -13 31 o 82.441  2.3185  915.686   51.140    939.633   71.271    890.272   73.421    83.565  3.1842  81.318  3.3709  2.247635       4.637044 
1 1 1 1   -13 32 o 32.660  3.8143  147.510   31.617    141.971   40.662    155.981   50.282    31.982  4.9030  33.337  5.8442  -1.354828      7.628548 
1 1 1 1   -13 33 o 75.857  2.2871  776.982   46.430    786.749   64.573    766.527   66.808    76.365  3.1569  75.350  3.3102  1.015228       4.574250 
1 1 1 1   -13 34 o 26.302  2.6003  95.510    17.782    94.575    24.345    96.579    26.036    26.186  3.5636  26.419  3.7877  -0.2326794     5.200600 
1 1 1 1   -13 35 o 19.534  2.6805  58.458    13.014    35.735    20.733    73.231    16.717    15.948  4.5997  23.120  2.7537  -7.171480      5.360988 
1 1 1 1   -13 36 o 43.504  2.0352  257.091   23.370    261.922   35.639    253.446   30.955    43.819  3.0557  43.190  2.6892  0.6286163      4.070457 
1 1 1 1   -13 37 o 41.016  2.0245  226.220   21.919    257.575   33.739    203.322   28.832    43.435  2.9169  38.597  2.8082  4.838188       4.048981 
1 1 1 1   -13 38 f 54.630  2.0833  404.435   30.138    435.033   46.139    381.663   39.804    56.376  3.0671  52.884  2.8202  3.491936       4.166602 
1 1 1 1   -13 39 o 49.389  2.1351  335.281   27.734    332.779   42.711    337.104   36.467    49.127  3.2645  49.651  2.7529  -0.5245476     4.270252 
1 1 1 1   -13 40 o 30.681  3.4288  146.902   24.913    170.486   31.289    106.052   41.179    34.967  3.3830  26.395  5.9650  8.572124       6.857523 
1 1 1 1   -13 41 o 12.718  3.0156  17.292    12.218    36.922    20.978    7.2153    15.030    15.829  4.6447  9.6070  3.8472  6.221569       6.031158 
1 1 1 1   -13 42 o 35.552  2.5413  186.495   22.568    152.279   35.710    209.250   29.121    32.314  4.2271  38.789  2.8223  -6.474907      5.082645 
1 1 1 1   -13 43 o 5.6984  1.9693  -25.2763  9.9776    -41.8824  16.860    -16.3262  12.378    5.5926  2.7889  5.8042  2.7812  -0.2116094     3.938638 
1 1 1 1   -13 44 o 31.317  2.5875  141.934   20.693    151.707   33.775    136.061   26.182    31.885  4.0458  30.750  3.2270  1.134771       5.175098 
1 1 1 1   -13 45 o 41.996  2.3753  251.779   25.963    284.323   41.924    231.533   33.068    43.915  3.5957  40.077  3.1047  3.837189       4.750607 
1 1 1 1   -13 46 o 36.963  2.9013  219.107   25.611    175.560   42.603    243.751   32.049    32.790  5.0098  41.136  2.9279  -8.345863      5.802612 
1 1 1 1   -13 47 o 15.399  3.5613  34.576    15.950    59.011    29.402    24.387    18.986    18.182  5.5385  12.617  4.4784  5.564398       7.122539 
1 1 1 1   -13 48 o 19.648  3.7704  70.180    19.881    67.198    34.585    71.652    24.297    18.503  6.0555  20.792  4.4938  -2.288956      7.540776 
1 1 1 1   -13 49 o 20.712  3.7082  79.526    19.711    80.813    35.486    78.951    23.704    19.636  6.1026  21.787  4.2144  -2.150885      7.416366 
1 1 1 1   -12 0  o 394.051 7.3220  20864.87  772.787   20705.59  1093.16   21023.99  1092.61   392.542 10.397  395.559 10.313  -3.017395      14.64398 
1 1 1 1   -12 1  o 248.262 4.7467  8266.52   315.589   8106.84   446.585   8425.82   446.038   245.864 6.7814  250.661 6.6435  -4.797302      9.493333 
1 1 1 1   -12 2  o 448.226 8.2835  27017.09  994.413   27404.00  1406.97   26630.91  1405.65   451.445 11.636  445.007 11.793  6.437653       16.56690 
1 1 1 1   -12 3  o 108.787 2.4188  1585.49   70.480    1581.51   99.737    1589.47   99.611    108.650 3.4272  108.924 3.4143  -0.2733765     4.837652 
1 1 1 1   -12 4  o 145.165 2.9388  2823.73   114.259   2857.05   161.553   2790.37   161.621   146.023 4.1305  144.308 4.1814  1.715042       5.877516 
1 1 1 1   -12 5  o 382.217 7.0562  19624.32  722.276   19221.31  1020.93   20028.16  1021.98   378.277 10.076  386.157 9.8807  -7.880096      14.11233 
1 1 1 1   -12 6  o 156.195 3.1014  3269.20   129.753   3250.66   183.252   3287.84   183.746   155.751 4.3927  156.640 4.3795  -0.8885956     6.202889 
1 1 1 1   -12 7  o 280.790 5.2519  10576.83  394.975   10693.04  558.430   10460.50  558.728   282.336 7.3844  279.244 7.4701  3.092102       10.50389 
1 1 1 1   -12 8  o 185.707 3.6134  4622.42   179.719   4549.65   253.843   4695.54   254.480   184.241 5.1439  187.173 5.0760  -2.932632      7.226712 
1 1 1 1   -12 9  o 144.237 2.8970  2787.63   111.920   2773.23   158.080   2802.10   158.477   143.863 4.1024  144.611 4.0914  -0.7472839     5.793933 
1 1 1 1   -12 10 o 96.481  2.1798  1247.04   56.330    1254.94   79.577    1239.11   79.750    96.787  3.0696  96.175  3.0959  0.6124039      4.359663 
1 1 1 1   -12 11 o 202.345 3.9055  5489.04   211.649   5574.07   299.398   5404.10   299.236   203.913 5.4817  200.777 5.5643  3.135986       7.810930 
1 1 1 1   -12 12 o 368.245 6.8405  18221.76  674.506   18753.55  954.604   17691.54  953.188   373.628 9.5388  362.862 9.8073  10.76547       13.68107 
1 1 1 1   -12 13 o 99.358  2.2491  1322.44   59.849    1333.26   85.359    1311.97   83.938    99.758  3.1946  98.959  3.1667  0.7991180      4.498181 
1 1 1 1   -12 14 o 102.939 2.2995  1419.76   63.390    1417.10   90.471    1422.34   88.845    102.844 3.2843  103.034 3.2193  -0.1907578     4.598972 
1 1 1 1   -12 15 o 446.451 8.2452  26855.83  985.971   26928.27  1395.40   26783.61  1393.35   447.054 11.653  445.848 11.668  1.205750       16.49043 
1 1 1 1   -12 16 o 269.191 5.0987  9731.59   367.611   9656.60   520.891   9806.00   518.875   268.153 7.2523  270.228 7.1687  -2.074890      10.19737 
1 1 1 1   -12 17 o 199.673 3.8859  5350.15   207.813   5317.90   294.832   5382.00   292.960   199.073 5.5294  200.274 5.4613  -1.201096      7.771708 
1 1 1 1   -12 18 o 91.437  2.2022  1120.13   53.904    1173.32   77.013    1069.03   75.476    93.565  3.0730  89.309  3.1552  4.256821       4.404351 
1 1 1 1   -12 19 o 90.547  2.2021  1098.94   53.397    1131.04   75.960    1067.58   75.077    91.855  3.0874  89.240  3.1409  2.615158       4.404255 
1 1 1 1   -12 20 o 116.826 5.1807  1833.86   162.113   1833.86   162.113   0.0000    0.0000    116.826 5.1807  ?       ?       ?              ?        
1 1 1 1   -12 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -12 22 o 268.124 5.1101  9711.16   366.994   9704.23   518.790   9718.09   519.226   268.029 7.2264  268.220 7.2273  -0.1910400     10.22030 
1 1 1 1   -12 23 o 303.839 5.7772  12515.23  470.130   12334.60  664.255   12696.53  665.476   301.619 8.2222  306.060 8.1178  -4.440338      11.55433 
1 1 1 1   -12 24 o 59.371  1.9648  472.946   31.234    480.142   43.829    465.519   44.523    59.832  2.7349  58.911  2.8216  0.9209976      3.929540 
1 1 1 1   -12 25 o 189.012 3.7830  4813.73   191.513   4757.29   269.972   4870.91   271.718   187.893 5.3644  190.130 5.3355  -2.236908      7.565996 
1 1 1 1   -12 26 o 89.865  2.3189  1085.08   55.769    1118.11   78.124    1050.77   79.637    91.266  3.1958  88.464  3.3609  2.801590       4.637795 
1 1 1 1   -12 27 o 224.077 4.4073  6786.58   264.512   6807.85   372.939   6765.05   375.225   224.440 6.2037  223.714 6.2619  0.7257080      8.814616 
1 1 1 1   -12 28 o 27.238  2.4758  101.427   17.601    103.401   24.242    99.227    25.596    27.545  3.3551  26.932  3.6416  0.6127110      4.951559 
1 1 1 1   -12 29 o 148.277 3.1723  2962.89   125.937   3028.54   176.977   2895.55   179.247   149.956 4.4062  146.597 4.5650  3.359695       6.344576 
1 1 1 1   -12 30 o 188.659 3.8018  4813.69   192.083   4698.58   270.096   4931.49   273.224   186.365 5.4108  190.952 5.3420  -4.587311      7.603564 
1 1 1 1   -12 31 o 41.894  2.1841  237.345   24.300    238.269   33.515    236.320   35.286    41.992  2.9995  41.796  3.1757  0.1956978      4.368251 
1 1 1 1   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -12 33 o 91.736  2.9051  1134.17   67.694    1117.79   83.380    1165.83   115.945   90.990  3.4212  92.482  4.6961  -1.492119      5.810165 
1 1 1 1   -12 34 o 89.557  2.3814  1094.13   56.631    973.130   82.335    1202.76   78.017    84.746  3.6272  94.367  3.0866  -9.621124      4.762743 
1 1 1 1   -12 35 o 27.952  2.2394  104.696   16.269    124.876   25.466    90.779    21.148    30.197  3.1972  25.707  3.1363  4.489801       4.478710 
1 1 1 1   -12 36 o 51.798  2.0492  367.335   27.985    341.867   42.164    387.389   37.415    50.073  3.1600  53.523  2.6098  -3.450100      4.098361 
1 1 1 1   -12 37 o 10.677  2.7353  12.978    10.439    2.2142    17.615    18.805    12.961    9.5945  4.0353  11.760  3.6936  -2.165074      5.470516 
1 1 1 1   -12 38 o 38.926  2.1773  209.531   22.028    199.663   34.390    216.398   28.686    38.032  3.4122  39.820  2.7056  -1.788754      4.354695 
1 1 1 1   -12 39 o 62.640  2.1555  533.734   35.899    561.810   54.700    512.493   47.579    64.016  3.1902  61.265  2.8995  2.750980       4.310918 
1 1 1 1   -12 40 o 56.785  2.1753  437.639   32.688    499.483   50.324    392.501   42.993    60.182  3.1327  53.388  3.0189  6.794712       4.350631 
1 1 1 1   -12 41 o 24.045  2.6932  77.582    16.197    116.384   26.676    54.924    20.385    28.688  3.5472  19.401  4.0535  9.287100       5.386358 
1 1 1 1   -12 42 o 17.486  3.2434  45.126    14.923    49.695    24.951    42.582    18.620    18.045  4.9933  16.927  4.1409  1.117456       6.486866 
1 1 1 1   -12 43 o 15.317  3.1543  36.935    14.035    24.312    23.629    43.816    17.447    13.490  4.9676  17.145  3.8885  -3.655892      6.308547 
1 1 1 1   -12 44 f 25.583  2.9537  98.660    18.521    98.457    31.470    98.767    22.908    25.068  4.8624  26.098  3.3548  -1.030025      5.907403 
1 1 1 1   -12 45 o 21.177  3.2441  64.257    17.017    96.125    30.610    50.002    20.472    24.522  4.8321  17.831  4.3298  6.691263       6.488205 
1 1 1 1   -12 46 o 26.521  3.1109  112.160   19.890    104.630   34.091    116.047   24.491    24.991  5.2593  28.050  3.3244  -3.058807      6.221870 
1 1 1 1   -12 47 o 6.8569  2.3579  -20.0536  11.731    -32.1156  23.953    -16.2471  13.456    7.6560  3.7173  6.0578  2.9019  1.598127       4.715889 
1 1 1 1   -12 48 o 18.666  3.6143  63.148    18.196    55.527    33.102    66.449    21.783    17.015  5.9233  20.318  4.1432  -3.302776      7.228512 
1 1 1 1   -12 49 o 12.298  3.3928  11.292    15.359    53.451    30.259    -3.3384   17.826    16.361  5.6651  8.2354  3.7350  8.125914       6.785552 
1 1 1 1   -11 0  o 256.282 4.8824  8809.17   335.067   9045.77   474.415   8573.69   473.299   259.720 6.8197  252.844 6.9887  6.876419       9.764717 
1 1 1 1   -11 1  o 297.344 5.6001  11864.21  445.882   11546.42  630.735   12181.67  630.410   293.355 8.0272  301.332 7.8107  -7.976471      11.20012 
1 1 1 1   -11 2  o 432.751 7.9970  25173.21  926.941   25268.45  1311.26   25078.07  1310.52   433.572 11.291  431.931 11.328  1.641510       15.99398 
1 1 1 1   -11 3  o 376.109 6.9499  19003.32  699.812   19679.53  990.285   18328.75  989.082   382.813 9.6579  369.406 9.9963  13.40720       13.89971 
1 1 1 1   -11 4  o 382.678 7.0658  19670.59  724.209   19880.43  1024.22   19460.77  1024.16   384.725 9.9392  380.631 10.046  4.094177       14.13153 
1 1 1 1   -11 5  f 197.182 3.7924  5214.37   200.096   4934.72   282.523   5495.83   283.435   191.870 5.4974  202.493 5.2258  -10.62350      7.584899 
1 1 1 1   -11 6  o 526.149 9.6663  37282.17  1362.24   37109.51  1926.14   37454.96  1926.87   524.924 13.699  527.375 13.641  -2.450134      19.33258 
1 1 1 1   -11 7  o 97.570  2.1519  1275.89   56.179    1203.94   79.211    1348.72   79.689    94.800  3.1195  100.340 2.9651  -5.539772      4.303825 
1 1 1 1   -11 8  o 269.546 5.0179  9746.21   362.214   9960.74   512.228   9531.66   512.266   272.518 7.0175  266.575 7.1744  5.943146       10.03580 
1 1 1 1   -11 9  o 104.719 2.2703  1469.08   63.678    1466.90   89.982    1471.27   90.128    104.641 3.2104  104.797 3.2108  -0.1559906     4.540534 
1 1 1 1   -11 10 o 86.453  2.0511  1001.41   47.481    1030.87   67.181    972.012   67.117    87.724  2.8592  85.182  2.9416  2.541580       4.102206 
1 1 1 1   -11 11 o 74.840  1.8928  750.206   37.941    757.719   53.955    742.857   53.362    75.210  2.6783  74.469  2.6753  0.7412186      3.785590 
1 1 1 1   -11 12 o 344.134 6.3817  15900.95  588.229   16000.08  832.479   15802.10  831.284   345.207 9.0034  343.061 9.0467  2.146576       12.76334 
1 1 1 1   -11 13 o 343.766 6.3664  15868.40  586.190   16005.68  829.922   15731.73  828.078   345.252 8.9745  342.279 9.0324  2.973175       12.73287 
1 1 1 1   -11 14 o 210.023 4.0430  5914.52   227.418   5855.53   322.523   5972.85   320.719   208.979 5.7619  211.066 5.6731  -2.086777      8.086020 
1 1 1 1   -11 15 o 159.310 3.1971  3401.36   136.371   3528.67   193.939   3276.85   191.794   162.260 4.4624  156.360 4.5795  5.900085       6.394134 
1 1 1 1   -11 16 f 56.999  1.8170  434.953   27.732    447.410   39.803    423.202   38.659    57.791  2.5714  56.206  2.5679  1.585194       3.634002 
1 1 1 1   -11 17 o 158.410 3.1973  3364.10   135.660   3388.08   192.439   3340.42   191.270   158.971 4.5195  157.849 4.5239  1.122238       6.394644 
1 1 1 1   -11 18 o 253.559 4.8399  8637.57   328.640   8446.49   464.794   8828.59   464.741   250.745 6.9205  256.372 6.7679  -5.626190      9.679752 
1 1 1 1   -11 19 o 91.827  2.2305  1130.46   54.839    1168.65   77.615    1092.38   77.494    93.377  3.1032  90.276  3.2048  3.101013       4.461051 
1 1 1 1   -11 20 o 126.903 2.7411  2160.16   93.171    2153.38   131.583   2166.97   131.945   126.703 3.8773  127.103 3.8757  -0.3992233     5.482175 
1 1 1 1   -11 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -11 22 o 199.863 3.9294  5374.87   210.350   5364.00   296.931   5385.82   298.032   199.661 5.5523  200.065 5.5616  -0.4040070     7.858739 
1 1 1 1   -11 23 f 113.180 2.5714  1719.59   77.944    1729.80   109.664   1709.17   110.804   113.522 3.6066  112.839 3.6662  0.6832733      5.142769 
1 1 1 1   -11 24 o 226.402 4.4161  6915.83   267.797   6880.32   377.785   6951.70   379.666   225.817 6.2460  226.986 6.2447  -1.168671      8.832260 
1 1 1 1   -11 25 o 120.009 2.6953  1934.60   86.629    1932.90   121.629   1936.36   123.415   119.958 3.7855  120.060 3.8378  -0.1023712     5.390574 
1 1 1 1   -11 26 o 69.246  2.1099  644.749   39.052    674.255   54.384    613.338   56.112    70.891  2.8641  67.602  3.0989  3.288612       4.219738 
1 1 1 1   -11 27 o 132.907 2.9096  2374.82   103.567   2364.15   145.285   2385.83   147.678   132.607 4.0904  133.207 4.1390  -0.6004791     5.819178 
1 1 1 1   -11 28 o 54.342  2.0790  397.771   30.100    402.954   41.581    392.065   43.628    54.724  2.8466  53.960  3.0308  0.7637062      4.158030 
1 1 1 1   -11 29 o 82.915  2.2843  923.896   50.693    939.787   70.734    907.115   72.687    83.654  3.1569  82.176  3.3024  1.477684       4.568533 
1 1 1 1   -11 30 o 36.378  2.2530  180.046   21.605    190.868   29.682    167.853   31.507    37.581  2.9731  35.176  3.3859  2.405037       4.505903 
1 1 1 1   -11 31 o 44.166  2.2181  263.057   25.863    221.971   35.630    308.819   37.602    40.487  3.3146  47.845  2.9486  -7.357933      4.436286 
1 1 1 1   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -11 33 o 74.990  2.1837  757.628   43.733    761.331   64.421    754.463   59.560    75.143  3.2007  74.838  2.9713  0.3047256      4.367307 
1 1 1 1   -11 34 o 96.562  2.4305  1264.60   62.643    1214.84   91.374    1308.73   86.048    94.718  3.6016  98.407  3.2646  -3.688286      4.860981 
1 1 1 1   -11 35 o 25.956  2.3048  91.520    15.520    100.705   24.042    84.959    20.321    27.047  3.3934  24.865  3.1198  2.181591       4.609579 
1 1 1 1   -11 36 o 43.096  2.0298  251.217   23.057    262.396   35.543    243.093   30.298    43.882  3.0428  42.310  2.6874  1.571236       4.059646 
1 1 1 1   -11 37 o 53.827  2.0787  396.079   29.522    381.987   44.922    406.793   39.169    52.866  3.1874  54.787  2.6691  -1.920357      4.157353 
1 1 1 1   -11 38 o 34.645  2.2347  166.433   20.050    158.355   31.314    172.046   26.102    33.815  3.5084  35.475  2.7690  -1.660290      4.469473 
1 1 1 1   -11 39 o 36.094  2.1512  175.713   20.357    203.487   31.951    156.734   26.411    38.433  3.1310  33.755  2.9509  4.678143       4.302381 
1 1 1 1   -11 40 o 21.362  2.9019  65.441    15.471    66.832    25.678    64.648    19.384    21.359  4.6225  21.364  3.5094  -0.4375458E-02 5.803718 
1 1 1 1   -11 41 o 34.758  2.4044  173.945   21.177    148.846   33.305    190.981   27.439    32.321  3.9279  37.195  2.7741  -4.874516      4.808740 
1 1 1 1   -11 42 o 17.104  3.1657  43.631    14.166    43.745    24.362    43.573    17.412    16.994  5.0106  17.214  3.8705  -0.2192249     6.331405 
1 1 1 1   -11 43 o 20.764  3.0926  77.656    16.775    28.228    28.922    102.716   20.593    14.526  5.4671  27.002  2.8924  -12.47551      6.185100 
1 1 1 1   -11 44 f 39.871  2.5563  238.805   25.322    202.374   41.292    260.762   32.057    36.709  4.2799  43.032  2.7964  -6.322723      5.112509 
1 1 1 1   -11 45 o 13.001  3.2761  24.528    13.804    24.186    24.590    24.685    16.681    13.200  5.0239  12.802  4.2062  0.3983688      6.552244 
1 1 1 1   -11 46 o 10.529  2.6183  4.4982    13.635    -60.8493  24.840    32.675    16.311    6.6249  3.3160  14.433  4.0528  -7.807657      5.236526 
1 1 1 1   -11 47 o 12.430  3.3934  14.579    14.913    41.317    28.622    4.6154    17.472    15.524  5.4998  9.3347  3.9766  6.189615       6.786864 
1 1 1 1   -11 48 o 15.831  3.5995  43.244    16.437    44.784    31.145    42.650    19.351    15.636  5.7115  16.025  4.3823  -0.3889627     7.199030 
1 1 1 1   -11 49 o 25.277  3.6915  127.723   22.684    88.029    40.622    145.708   27.344    19.789  6.5670  30.764  3.3738  -10.97473      7.382927 
1 1 1 1   -10 0  o 698.459 12.874  65976.19  2407.98   64559.26  3404.67   67394.32  3406.12   690.883 18.398  706.035 18.011  -15.15131      25.74707 
1 1 1 1   -10 1  o 189.634 3.7271  4820.32   189.299   4762.49   268.009   4877.90   267.411   188.497 5.3083  190.770 5.2334  -2.272415      7.454266 
1 1 1 1   -10 2  o 226.587 4.3362  6886.09   263.004   7180.83   372.410   6592.83   371.478   231.431 6.0078  221.743 6.2545  9.687714       8.672488 
1 1 1 1   -10 3  o 386.924 7.1301  20112.97  738.908   20353.17  1045.17   19872.96  1044.77   389.241 10.025  384.608 10.142  4.633087       14.26027 
1 1 1 1   -10 4  o 406.711 7.4915  22230.38  816.067   21998.94  1153.74   22462.10  1154.44   404.586 10.647  408.837 10.542  -4.250824      14.98293 
1 1 1 1   -10 5  o 506.869 9.3243  34593.78  1265.90   34460.68  1789.95   34726.96  1790.55   505.889 13.210  507.850 13.163  -1.960480      18.64858 
1 1 1 1   -10 6  o 297.911 5.5458  11908.97  442.511   12008.79  625.683   11809.08  625.926   299.162 7.8083  296.659 7.8773  2.503113       11.09151 
1 1 1 1   -10 7  o 193.739 3.7104  5031.16   192.544   5010.77   272.094   5051.60   272.503   193.346 5.2541  194.133 5.2406  -0.7864380     7.420870 
1 1 1 1   -10 8  o 215.518 4.0472  6227.52   233.589   6357.91   330.365   6097.16   330.325   217.776 5.6636  213.259 5.7829  4.516907       8.094337 
1 1 1 1   -10 9  o 94.655  2.1119  1200.24   53.542    1208.20   75.751    1192.30   75.688    94.969  2.9780  94.341  2.9953  0.6273880      4.223714 
1 1 1 1   -10 10 o 368.622 6.8062  18250.69  671.965   18499.59  950.738   18002.24  949.867   371.141 9.5639  366.104 9.6866  5.036224       13.61237 
1 1 1 1   -10 11 o 122.158 2.5744  1999.46   84.178    2095.26   119.647   1905.57   118.452   125.056 3.5720  119.259 3.7082  5.796776       5.148758 
1 1 1 1   -10 12 o 440.167 8.1032  26053.36  955.216   26587.29  1352.08   25521.33  1349.68   444.686 11.352  435.648 11.567  9.038208       16.20639 
1 1 1 1   -10 13 o 251.781 4.7460  8501.70   320.057   8576.86   453.644   8427.21   451.621   252.890 6.6972  250.673 6.7263  2.217468       9.491906 
1 1 1 1   -10 14 o 241.377 4.5867  7813.50   296.536   7790.09   420.241   7836.72   418.495   241.016 6.5097  241.738 6.4633  -0.7226410     9.173400 
1 1 1 1   -10 15 o 199.744 3.8840  5349.44   207.771   5267.41   294.445   5430.80   293.223   198.216 5.5459  201.271 5.4391  -3.054840      7.767967 
1 1 1 1   -10 16 o 44.993  1.8244  272.219   21.881    263.424   31.083    280.858   30.809    44.266  2.6335  45.719  2.5256  -1.453003      3.648831 
1 1 1 1   -10 17 o 71.818  1.9802  691.125   38.077    715.055   53.931    667.340   53.767    73.058  2.7560  70.578  2.8442  2.480385       3.960423 
1 1 1 1   -10 18 o 135.569 2.8541  2463.81   103.612   2395.57   146.303   2532.48   146.756   133.684 4.0859  137.454 3.9861  -3.769958      5.708194 
1 1 1 1   -10 19 o 136.703 2.8920  2505.62   105.893   2494.58   149.434   2516.76   150.079   136.400 4.0902  137.005 4.0897  -0.6050873     5.784080 
1 1 1 1   -10 20 o 137.118 2.9029  2521.73   106.610   2494.86   150.300   2548.93   151.242   136.383 4.1144  137.854 4.0960  -1.470993      5.805711 
1 1 1 1   -10 21 o 107.708 2.4872  1557.17   71.693    1620.03   100.890   1493.05   101.895   109.910 3.4271  105.507 3.6057  4.403030       4.974496 
1 1 1 1   -10 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -10 23 o 30.027  1.8971  122.065   15.066    126.661   20.948    117.140   21.684    30.628  2.5775  29.425  2.7844  1.203289       3.794245 
1 1 1 1   -10 24 o 98.175  2.3700  1293.20   62.315    1273.66   87.340    1313.47   88.935    97.420  3.3471  98.931  3.3562  -1.510330      4.740009 
1 1 1 1   -10 25 o 89.218  2.2754  1067.84   54.365    1042.15   76.065    1094.66   77.731    88.121  3.2226  90.315  3.2133  -2.193512      4.550878 
1 1 1 1   -10 26 o 70.420  2.1017  664.952   39.615    631.170   55.316    700.521   56.761    68.583  3.0112  72.256  2.9328  -3.673279      4.203432 
1 1 1 1   -10 27 o 231.357 4.5254  7235.28   280.405   7094.92   395.312   7377.41   397.804   229.085 6.4425  233.630 6.3570  -4.544998      9.050810 
1 1 1 1   -10 28 o 129.245 2.9004  2248.67   100.291   2347.01   140.854   2147.55   142.832   132.129 3.9800  126.360 4.2201  5.769234       5.800857 
1 1 1 1   -10 29 o 80.056  2.7846  877.323   55.898    906.167   68.835    821.472   95.785    82.149  3.1284  77.962  4.6074  4.186714       5.569102 
1 1 1 1   -10 30 o 76.416  2.1328  781.636   43.579    835.337   63.870    734.858   59.610    78.863  3.0236  73.969  3.0087  4.893906       4.265515 
1 1 1 1   -10 31 o 84.984  2.2542  970.191   51.229    986.476   74.877    955.859   70.243    85.645  3.2640  84.322  3.1101  1.323288       4.508477 
1 1 1 1   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -10 33 f 98.037  2.4090  1292.76   63.159    1380.90   92.362    1215.34   86.559    101.166 3.4086  94.909  3.4050  6.257484       4.817922 
1 1 1 1   -10 34 o 61.045  2.0424  501.365   33.228    513.973   49.799    491.246   44.612    61.717  3.0125  60.374  2.7588  1.343384       4.084815 
1 1 1 1   -10 35 o 96.599  2.4330  1265.93   62.792    1261.96   92.040    1269.39   85.883    96.413  3.5641  96.785  3.3129  -0.3722610     4.866033 
1 1 1 1   -10 36 o 103.885 2.5345  1467.77   70.399    1516.64   103.270   1425.34   96.222    105.461 3.6559  102.309 3.5113  3.152351       5.069026 
1 1 1 1   -10 37 o 24.802  2.4472  86.526    15.258    81.272    24.515    89.848    19.494    24.037  3.9445  25.568  2.8977  -1.530487      4.894438 
1 1 1 1   -10 38 o 8.7290  2.5953  1.4226    9.9431    4.8916    16.553    -0.5358   12.437    9.7039  3.9813  7.7541  3.3304  1.949859       5.190583 
1 1 1 1   -10 39 o 16.010  2.9757  34.422    12.591    48.138    21.297    27.052    15.611    18.216  4.4119  13.804  3.9943  4.411798       5.951399 
1 1 1 1   -10 40 o 21.188  2.8655  61.732    15.204    76.936    25.579    53.425    18.906    23.077  4.2962  19.298  3.7929  3.779421       5.730934 
1 1 1 1   -10 41 o 13.292  2.8990  25.189    13.106    -0.4444   21.993    39.305    16.320    10.143  4.3927  16.442  3.7843  -6.298512      5.798038 
1 1 1 1   -10 42 o 24.013  3.0502  89.483    17.734    70.134    29.577    100.343   22.158    21.352  5.2162  26.673  3.1631  -5.321066      6.100348 
1 1 1 1   -10 43 o 14.065  3.4162  25.424    14.842    40.061    26.223    18.525    18.004    16.176  5.2718  11.954  4.3461  4.222179       6.832347 
1 1 1 1   -10 44 o 12.069  3.0807  19.246    13.880    -0.6508   23.856    29.429    17.066    10.209  4.4947  13.930  4.2142  -3.721528      6.161374 
1 1 1 1   -10 45 o 35.216  2.5794  180.226   23.170    195.570   38.452    171.478   29.033    35.996  4.0591  34.436  3.1838  1.559807       5.158738 
1 1 1 1   -10 46 o 30.129  3.0172  143.442   21.769    130.523   37.366    150.080   26.784    28.161  5.1432  32.097  3.1562  -3.935862      6.034433 
1 1 1 1   -10 47 o 9.6737  3.1228  -11.5449  19.202    7.2183    24.185    -43.5459  31.584    10.783  4.6381  8.5645  4.1829  2.218312       6.245675 
1 1 1 1   -10 48 o 14.039  3.7244  30.421    17.557    43.170    32.690    25.254    20.813    15.391  5.8081  12.688  4.6638  2.702662       7.448808 
1 1 1 1   -10 49 o 16.454  3.5835  54.074    18.383    33.798    34.392    62.184    21.751    13.764  5.7021  19.143  4.3418  -5.379321      7.166936 
1 1 1 1   -9  0  o 236.669 4.5420  7510.93   287.924   7518.43   407.500   7503.46   406.874   236.787 6.4251  236.551 6.4216  0.2357330      9.084028 
1 1 1 1   -9  1  o 191.616 3.7303  4921.50   191.455   4944.17   271.102   4898.95   270.416   192.056 5.2701  191.175 5.2809  0.8807831      7.460689 
1 1 1 1   -9  2  o 258.010 4.8763  8932.09   336.762   9320.96   476.749   8544.83   475.761   263.625 6.7517  252.395 7.0375  11.22997       9.752547 
1 1 1 1   -9  3  o 162.931 4.5981  3569.92   199.867   3930.52   282.374   3207.88   282.935   171.211 6.1575  154.651 6.8304  16.55933       9.196131 
1 1 1 1   -9  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -9  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -9  6  o 93.578  2.9726  1175.16   73.842    998.861   102.530   1365.15   106.436   86.219  4.4550  100.937 3.9369  -14.71806      5.945206 
1 1 1 1   -9  7  o 388.613 7.1664  20292.91  745.938   20201.84  1054.74   20384.04  1055.09   387.738 10.156  389.488 10.114  -1.749908      14.33274 
1 1 1 1   -9  8  o 317.810 5.8646  13556.91  499.223   13579.67  706.052   13534.16  705.963   318.077 8.2873  317.542 8.3003  0.5345764      11.72921 
1 1 1 1   -9  9  o 153.306 3.0771  3149.51   126.348   3190.87   178.934   3108.37   178.434   154.310 4.3292  152.301 4.3741  2.008820       6.154240 
1 1 1 1   -9  10 o 436.379 7.9981  25607.22  934.810   25895.47  1322.78   25319.62  1321.27   438.841 11.254  433.916 11.368  4.924713       15.99629 
1 1 1 1   -9  11 o 495.630 9.1283  33072.17  1211.74   32642.54  1714.14   33501.32  1713.17   492.395 12.997  498.865 12.821  -6.470398      18.25665 
1 1 1 1   -9  12 o 258.528 4.9101  8967.65   339.850   8670.37   481.205   9263.50   480.039   254.245 7.0662  262.811 6.8194  -8.566422      9.820150 
1 1 1 1   -9  13 o 228.275 4.3602  6988.20   266.538   6833.68   377.568   7141.69   376.317   225.755 6.2441  230.794 6.0875  -5.038559      8.720465 
1 1 1 1   -9  14 o 76.670  1.9995  787.348   41.059    797.711   58.423    777.234   57.716    77.168  2.8266  76.171  2.8289  0.9968948      3.998996 
1 1 1 1   -9  15 o 125.137 2.6837  2098.15   89.951    2116.50   127.340   2079.87   127.080   125.684 3.7827  124.591 3.8080  1.092613       5.367479 
1 1 1 1   -9  16 o 323.070 6.0441  14013.94  523.016   14057.68  739.491   13970.16  739.823   323.576 8.5323  322.564 8.5629  1.011780       12.08821 
1 1 1 1   -9  17 o 290.100 5.4566  11298.40  423.915   11028.60  598.941   11569.23  600.072   286.622 7.8016  293.579 7.6312  -6.956329      10.91328 
1 1 1 1   -9  18 o 86.674  2.1696  1006.51   50.366    1004.49   70.878    1008.56   71.583    86.586  3.0562  86.761  3.0803  -0.1749573     4.339174 
1 1 1 1   -9  19 o 370.907 6.9268  18532.01  688.137   18340.71  972.372   18723.94  973.974   368.980 9.8388  372.834 9.7531  -3.853943      13.85367 
1 1 1 1   -9  20 o 127.100 2.7585  2165.96   93.878    2089.91   132.038   2243.70   133.499   124.842 3.9487  129.358 3.8530  -4.515579      5.517000 
1 1 1 1   -9  21 o 218.484 4.2504  6417.90   248.712   6502.10   351.089   6333.08   352.380   219.930 5.9600  217.039 6.0616  2.891266       8.500805 
1 1 1 1   -9  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -9  23 o 144.728 3.0606  2814.25   118.611   2874.79   167.139   2752.83   168.351   146.303 4.2652  143.153 4.3906  3.149384       6.121220 
1 1 1 1   -9  24 o 124.635 2.7659  2087.77   92.250    2176.01   129.885   1997.96   131.044   127.303 3.8092  121.967 4.0113  5.336525       5.531768 
1 1 1 1   -9  25 o 95.294  2.3653  1218.89   60.366    1221.85   84.731    1215.84   86.024    95.413  3.3155  95.175  3.3745  0.2384644      4.730697 
1 1 1 1   -9  26 o 49.178  2.0043  325.739   26.262    331.121   36.521    319.977   37.791    49.607  2.7595  48.750  2.9074  0.8574066      4.008529 
1 1 1 1   -9  27 o 70.641  2.5652  661.132   46.015    639.435   56.438    704.154   79.471    69.026  3.0526  72.257  4.1233  -3.230400      5.130310 
1 1 1 1   -9  28 o 92.209  2.3600  1146.39   58.045    1060.81   83.745    1225.52   80.526    88.870  3.5182  95.548  3.1465  -6.678459      4.719952 
1 1 1 1   -9  29 o 113.526 2.5814  1729.60   78.419    1838.01   113.120   1629.29   108.808   116.950 3.6112  110.102 3.6896  6.848686       5.162735 
1 1 1 1   -9  30 o 89.611  2.3487  1086.55   55.982    979.919   81.239    1182.98   77.253    85.373  3.5526  93.849  3.0732  -8.475433      4.697461 
1 1 1 1   -9  31 o 231.527 4.5618  7294.87   282.852   7237.13   402.609   7351.14   397.467   230.584 6.5188  232.470 6.3833  -1.886108      9.123641 
1 1 1 1   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -9  33 o 75.912  2.1566  771.198   43.705    849.671   64.941    706.233   59.088    79.418  3.0529  72.406  3.0468  7.012299       4.313130 
1 1 1 1   -9  34 o 76.834  2.2013  796.840   45.132    797.935   66.807    795.921   61.211    76.856  3.2453  76.812  2.9752  0.4434967E-01  4.402698 
1 1 1 1   -9  35 o 47.827  2.0045  301.851   25.149    393.140   38.853    236.025   32.992    53.972  2.6876  41.681  2.9748  12.29157       4.009042 
1 1 1 1   -9  36 o 23.883  2.4600  81.704    14.644    67.894    22.912    91.242    19.040    21.947  4.0468  25.819  2.7980  -3.871750      4.919921 
1 1 1 1   -9  37 o 12.199  2.7305  15.604    10.601    34.503    17.373    4.3941    13.380    15.558  4.1083  8.8405  3.5977  6.717333       5.460947 
1 1 1 1   -9  38 o 66.780  2.2657  617.944   39.746    553.691   59.939    668.371   53.100    63.450  3.5410  70.110  2.8277  -6.660019      4.531481 
1 1 1 1   -9  39 o 25.542  2.4604  88.319    16.010    104.864   26.320    78.603    20.171    27.344  3.6878  23.740  3.2582  3.604275       4.920899 
1 1 1 1   -9  40 o 25.871  6.8034  104.400   47.772    104.400   47.772    0.0000    0.0000    25.871  6.8034  ?       ?       ?              ?        
1 1 1 1   -9  41 o 56.387  2.2352  438.168   33.134    458.519   51.888    424.156   43.055    57.339  3.3936  55.435  2.9098  1.904491       4.470344 
1 1 1 1   -9  42 o 27.613  2.5871  104.160   18.186    133.985   30.116    87.042    22.815    30.574  3.7565  24.653  3.5582  5.921713       5.174178 
1 1 1 1   -9  43 o 45.916  2.3752  301.465   28.030    291.296   45.251    307.796   35.705    44.917  3.7968  46.915  2.8549  -1.998161      4.750419 
1 1 1 1   -9  44 o 22.230  3.0330  68.148    16.619    102.971   29.650    52.196    20.068    25.976  4.4199  18.484  4.1545  7.492296       6.065909 
1 1 1 1   -9  45 o 17.763  3.4416  47.653    16.175    65.154    28.144    39.020    19.766    19.826  5.2258  15.700  4.4800  4.126636       6.883283 
1 1 1 1   -9  46 o 11.215  3.0615  13.741    14.663    -14.0136  26.009    26.671    17.753    9.2857  4.3190  13.144  4.3403  -3.858398      6.123050 
1 1 1 1   -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -9  48 o 13.350  3.5442  28.045    16.075    29.142    30.983    27.641    18.804    13.644  5.5025  13.056  4.4686  0.5882425      7.088417 
1 1 1 1   -9  49 o 13.695  3.4403  35.111    17.330    9.3162    33.605    44.457    20.227    11.495  5.1784  15.895  4.5306  -4.400779      6.880552 
1 1 1 1   -8  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -8  1  o 242.339 6.5416  7887.14   424.611   7901.49   601.675   7872.90   599.312   242.558 9.2610  242.120 9.2413  0.4378662      13.08312 
1 1 1 1   -8  2  o 561.691 10.347  42555.84  1556.64   42398.71  2201.39   42712.97  2201.47   560.646 14.659  562.735 14.606  -2.088745      20.69357 
1 1 1 1   -8  3  o 147.166 2.9570  2902.33   116.554   2929.98   164.719   2874.61   164.947   147.869 4.1589  146.464 4.2046  1.404877       5.913979 
1 1 1 1   -8  4  o 270.801 5.0589  9838.41   366.934   9910.24   518.820   9766.51   519.027   271.792 7.1267  269.810 7.1819  1.981750       10.11784 
1 1 1 1   -8  5  o 310.951 5.7876  12979.03  482.024   12849.31  681.424   13108.94  681.946   309.393 8.2228  312.509 8.1470  -3.116730      11.57530 
1 1 1 1   -8  6  o 89.286  2.0387  1067.94   48.755    1060.87   68.844    1075.04   69.055    88.990  2.8883  89.582  2.8780  -0.5922699     4.077350 
1 1 1 1   -8  7  o 104.881 3.2025  1474.45   89.920    1465.30   129.041   1483.09   125.371   104.563 4.6074  105.199 4.4494  -0.6355286     6.405097 
1 1 1 1   -8  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -8  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -8  10 o 306.873 5.7398  12640.27  471.727   12429.84  667.707   12849.97  666.540   304.317 8.1916  309.430 8.0422  -5.112549      11.47954 
1 1 1 1   -8  11 o 492.261 9.0738  32626.30  1196.34   32290.85  1692.36   32961.37  1691.39   489.717 12.902  494.804 12.762  -5.086945      18.14753 
1 1 1 1   -8  12 o 238.663 4.5455  7639.50   290.517   7477.42   411.259   7800.94   410.449   236.133 6.5024  241.194 6.3534  -5.061432      9.090974 
1 1 1 1   -8  13 o 339.368 6.3141  15462.87  573.929   15333.58  811.794   15592.07  811.522   337.946 8.9683  340.790 8.8905  -2.844055      12.62816 
1 1 1 1   -8  14 o 496.541 9.1444  33189.34  1216.18   33230.94  1719.86   33147.73  1720.02   496.854 12.923  496.228 12.941  0.6258545      18.28874 
1 1 1 1   -8  15 o 435.444 8.0333  25496.42  936.942   25624.05  1324.80   25368.70  1325.27   436.539 11.330  434.349 11.391  2.190033       16.06669 
1 1 1 1   -8  16 o 53.561  1.8850  384.233   27.040    379.970   37.962    388.624   38.524    53.259  2.6612  53.862  2.6703  -0.6030312     3.769922 
1 1 1 1   -8  17 o 179.247 3.5712  4307.51   171.382   4146.47   241.663   4470.45   243.084   175.874 5.1300  182.620 4.9696  -6.746979      7.142389 
1 1 1 1   -8  18 o 70.501  2.0000  665.657   37.761    650.507   52.875    681.427   53.947    69.682  2.8329  71.319  2.8240  -1.636917      4.000085 
1 1 1 1   -8  19 o 49.510  1.8411  329.203   24.324    323.466   33.997    335.220   34.817    49.068  2.5960  49.953  2.6113  -0.8849945     3.682109 
1 1 1 1   -8  20 o 39.834  1.8416  213.542   19.534    214.355   27.297    212.689   27.964    39.915  2.5669  39.754  2.6413  0.1614151      3.683116 
1 1 1 1   -8  21 o 51.025  1.8721  349.856   25.495    349.739   35.754    349.977   36.365    51.018  2.6253  51.032  2.6697  -0.1454926E-01 3.744263 
1 1 1 1   -8  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -8  23 o 55.764  1.9342  416.968   28.881    418.488   40.394    415.379   41.310    55.869  2.6993  55.659  2.7709  0.2096024      3.868402 
1 1 1 1   -8  24 o 48.237  1.9262  313.191   24.770    319.619   34.648    306.471   35.424    48.750  2.6635  47.724  2.7833  1.025948       3.852444 
1 1 1 1   -8  25 o 245.059 4.6899  8110.61   307.811   8266.28   437.010   7957.34   433.630   247.405 6.5947  242.714 6.6701  4.690460       9.379812 
1 1 1 1   -8  26 o 146.482 3.0354  2883.40   119.013   3036.66   170.166   2736.65   166.512   150.299 4.2269  142.665 4.3575  7.634277       6.070834 
1 1 1 1   -8  27 o 261.101 5.0056  9232.96   350.022   9117.18   496.847   9347.04   493.184   259.447 7.1496  262.755 7.0076  -3.308105      10.01117 
1 1 1 1   -8  28 o 150.538 3.1800  3048.99   128.194   3064.80   183.397   3033.88   179.261   150.913 4.5371  150.163 4.4569  0.7506104      6.359951 
1 1 1 1   -8  29 o 118.388 2.6918  1885.38   85.269    1851.13   122.718   1917.35   118.566   117.336 3.9047  119.440 3.7061  -2.103561      5.383508 
1 1 1 1   -8  30 o 61.963  2.0289  513.615   33.580    539.684   49.776    491.840   45.492    63.397  2.9313  60.529  2.8060  2.868782       4.057834 
1 1 1 1   -8  31 o 45.886  2.1781  296.056   25.419    213.690   37.782    364.166   34.357    39.687  3.5932  52.086  2.4627  -12.39848      4.356148 
1 1 1 1   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -8  33 o 74.303  2.1409  736.150   42.322    867.766   63.199    629.135   56.987    80.276  2.9392  68.330  3.1137  11.94595       4.281853 
1 1 1 1   -8  34 o 44.886  2.0193  268.531   23.950    307.133   36.870    240.354   31.500    47.636  2.9035  42.135  2.8072  5.501156       4.038655 
1 1 1 1   -8  35 o 62.064  2.1603  527.510   35.317    480.264   53.103    564.982   47.292    59.435  3.3493  64.692  2.7293  -5.257408      4.320536 
1 1 1 1   -8  36 o 52.463  2.0816  372.917   28.852    382.335   44.191    365.919   38.092    52.991  3.1273  51.935  2.7481  1.056030       4.163220 
1 1 1 1   -8  37 o 31.584  2.3433  141.416   18.782    117.655   28.977    158.633   24.665    29.063  3.8144  34.104  2.7229  -5.040615      4.686569 
1 1 1 1   -8  38 o 60.976  2.1718  505.659   35.053    521.565   53.779    493.912   46.219    61.696  3.2660  60.257  2.8637  1.439770       4.343666 
1 1 1 1   -8  39 o 24.003  2.7838  85.906    16.242    67.003    26.415    97.397    20.595    21.451  4.7250  26.555  2.9450  -5.104389      5.567686 
1 1 1 1   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -8  41 o 25.059  2.8383  93.509    17.351    79.616    28.603    101.599   21.826    23.159  4.7700  26.960  3.0776  -3.801476      5.676672 
1 1 1 1   -8  42 o 47.988  2.3470  325.661   29.086    314.994   46.578    332.479   37.239    47.043  3.7271  48.933  2.8536  -1.890358      4.694060 
1 1 1 1   -8  43 f 15.989  3.2588  41.332    15.408    22.153    26.528    51.097    18.929    13.458  5.1940  18.520  3.9372  -5.061797      6.517584 
1 1 1 1   -8  44 o 9.0715  2.7471  1.9718    12.026    -17.6295  22.974    9.3705    14.115    8.5411  4.0010  9.6018  3.7655  -1.060617      5.494268 
1 1 1 1   -8  45 o 19.821  3.3827  67.531    17.375    49.091    30.980    75.992    20.986    17.044  5.7362  22.597  3.5871  -5.552338      6.765439 
1 1 1 1   -8  46 o 38.213  2.7201  219.735   25.821    219.173   44.094    220.029   31.854    37.426  4.4880  38.999  3.0744  -1.572483      5.440102 
1 1 1 1   -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -8  48 o 10.740  3.2345  10.628    15.707    -2.0023   30.678    15.114    18.285    10.648  4.8563  10.832  4.2737  -0.1841621     6.469013 
1 1 1 1   -8  49 o 23.683  3.7472  106.161   21.546    102.276   40.229    107.724   25.514    21.485  6.4637  25.882  3.7930  -4.397017      7.494444 
1 1 1 1   -7  0  o 371.737 6.8869  18568.23  685.713   18659.90  970.023   18476.67  969.467   372.657 9.7182  370.817 9.7608  1.839600       13.77371 
1 1 1 1   -7  1  o 44.500  1.6226  265.948   19.272    271.513   27.356    260.465   27.155    44.964  2.2789  44.036  2.3103  0.9283829      3.245142 
1 1 1 1   -7  2  o 186.778 3.6279  4676.60   181.497   4653.38   256.658   4699.83   256.692   186.314 5.1430  187.242 5.1182  -0.9284973     7.255832 
1 1 1 1   -7  3  o 164.041 3.2064  3607.30   140.829   3485.45   198.920   3729.75   199.405   161.261 4.6053  166.821 4.4627  -5.559921      6.412853 
1 1 1 1   -7  4  o 340.186 6.3014  15544.46  574.149   15694.48  811.969   15394.43  811.969   341.832 8.8682  338.539 8.9545  3.292999       12.60273 
1 1 1 1   -7  5  o 359.400 6.6204  17354.62  637.309   17429.96  901.193   17279.25  901.389   360.183 9.3413  358.617 9.3841  1.565765       13.24086 
1 1 1 1   -7  6  f 103.146 2.2628  1425.48   62.509    1399.86   88.391    1451.12   88.410    102.219 3.2284  104.074 3.1715  -1.855652      4.525626 
1 1 1 1   -7  7  o 95.190  2.1238  1213.89   54.146    1231.43   76.719    1196.47   76.431    95.875  2.9875  94.504  3.0195  1.371140       4.247629 
1 1 1 1   -7  8  o 69.513  1.8173  647.261   33.832    648.328   48.245    646.228   47.455    69.569  2.5891  69.457  2.5508  0.1125565      3.634554 
1 1 1 1   -7  9  o 208.145 3.9887  5808.53   222.370   5788.01   315.152   5828.87   313.810   207.778 5.6628  208.512 5.6188  -0.7337799     7.977390 
1 1 1 1   -7  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -7  11 o 631.307 11.618  53850.09  1964.54   54259.40  2778.97   53441.18  2777.59   633.725 16.372  628.889 16.489  4.836060       23.23646 
1 1 1 1   -7  12 o 337.042 6.2908  15254.76  567.758   14839.13  802.545   15671.20  803.319   332.434 9.0131  341.650 8.7784  -9.216095      12.58163 
1 1 1 1   -7  13 o 675.479 12.455  61706.22  2253.28   60890.62  3185.62   62522.84  3187.62   670.970 17.726  679.987 17.502  -9.017334      24.90988 
1 1 1 1   -7  14 o 98.316  2.2971  1294.90   60.490    1288.75   85.158    1301.17   85.940    98.081  3.2416  98.552  3.2557  -0.4713593     4.594237 
1 1 1 1   -7  15 o 268.541 5.0739  9673.37   364.931   9534.12   515.480   9813.28   516.705   266.601 7.2187  270.482 7.1321  -3.880127      10.14773 
1 1 1 1   -7  16 o 109.109 2.4835  1594.82   72.575    1571.08   102.164   1619.02   103.115   108.289 3.5223  109.929 3.5021  -1.640045      4.966995 
1 1 1 1   -7  17 o 147.021 3.0583  2896.64   120.433   2882.79   169.810   2910.65   170.830   146.668 4.3225  147.375 4.3277  -0.7069092     6.116615 
1 1 1 1   -7  18 o 287.562 5.4327  11101.08  418.424   10963.52  591.166   11239.18  592.317   285.773 7.7232  289.350 7.6426  -3.577545      10.86543 
1 1 1 1   -7  19 o 168.690 3.4135  3815.41   154.229   3784.02   217.637   3847.07   218.592   167.993 4.8368  169.387 4.8180  -1.394409      6.826941 
1 1 1 1   -7  20 o 344.405 6.4546  15976.51  595.368   15705.03  841.205   16248.98  842.752   341.458 9.1976  347.351 9.0582  -5.892975      12.90919 
1 1 1 1   -7  21 o 150.683 3.1342  3046.23   126.481   2983.79   178.259   3109.54   179.491   149.126 4.4628  152.240 4.4017  -3.113785      6.268349 
1 1 1 1   -7  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -7  23 o 292.993 5.6313  11614.91  441.407   10988.20  625.085   12238.27  623.407   285.025 8.1878  300.961 7.7334  -15.93637      11.26260 
1 1 1 1   -7  24 o 207.204 4.0273  5782.84   223.279   6128.25   317.613   5445.35   313.946   213.350 5.5580  201.058 5.8297  12.29131       8.054579 
1 1 1 1   -7  25 o 31.800  1.9687  135.026   16.029    186.958   24.185    94.346    21.405    37.263  2.4366  26.338  3.0930  10.92455       3.937478 
1 1 1 1   -7  26 o 212.882 4.2949  6130.53   244.140   5609.04   346.614   6643.98   343.933   203.801 6.3497  221.964 5.7850  -18.16293      8.589786 
1 1 1 1   -7  27 o 26.416  2.2373  93.629    15.394    106.896   23.594    83.793    20.314    28.040  3.1988  24.792  3.1288  3.248152       4.474587 
1 1 1 1   -7  28 o 92.808  2.3468  1157.55   58.239    1135.91   84.408    1177.22   80.457    91.971  3.4265  93.644  3.2077  -1.673088      4.693616 
1 1 1 1   -7  29 o 68.817  2.0966  634.003   38.576    662.677   56.663    609.231   52.667    70.261  3.0109  67.373  2.9185  2.888123       4.193246 
1 1 1 1   -7  30 o 137.673 2.9535  2549.10   108.840   2678.08   156.663   2428.77   151.321   141.041 4.1470  134.305 4.2065  6.735611       5.906927 
1 1 1 1   -7  31 o 29.956  2.2186  122.199   17.362    120.017   26.293    123.886   23.119    29.683  3.3666  30.229  2.8906  -0.5459652     4.437299 
1 1 1 1   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -7  33 o 57.722  2.0671  448.418   31.718    457.252   47.627    441.377   42.519    58.177  3.0673  57.267  2.7720  0.9093361      4.134284 
1 1 1 1   -7  34 o 35.519  2.1398  173.466   19.713    160.702   30.556    182.565   25.799    34.317  3.3677  36.721  2.6407  -2.403767      4.279600 
1 1 1 1   -7  35 o 55.853  2.0768  421.025   30.746    432.603   46.826    412.250   40.765    56.453  3.1087  55.252  2.7546  1.201027       4.153525 
1 1 1 1   -7  36 o 30.801  2.1974  129.766   17.548    131.214   27.600    128.784   22.734    30.880  3.3928  30.722  2.7933  0.1574917      4.394751 
1 1 1 1   -7  37 o 67.950  2.2036  629.922   39.738    615.999   60.022    640.787   53.024    67.201  3.3346  68.698  2.8816  -1.497047      4.407173 
1 1 1 1   -7  38 o 22.984  2.8206  80.506    15.671    55.610    25.348    95.908    19.938    19.563  4.8593  26.404  2.8651  -6.841206      5.641109 
1 1 1 1   -7  39 o 46.201  2.1822  291.059   26.455    306.349   41.506    280.597   34.333    47.132  3.3088  45.270  2.8459  1.861897       4.364370 
1 1 1 1   -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -7  41 o 21.981  3.1091  76.287    16.793    53.962    28.234    88.508    20.889    18.865  5.3443  25.098  3.1786  -6.233421      6.218163 
1 1 1 1   -7  42 o 44.978  2.3913  283.972   27.710    291.215   45.225    279.618   35.063    45.161  3.7733  44.796  2.9386  0.3647423      4.782590 
1 1 1 1   -7  43 o 16.445  3.4088  38.267    15.039    53.548    27.359    31.651    18.003    18.385  5.2784  14.505  4.3149  3.879772       6.817666 
1 1 1 1   -7  44 o 29.606  2.7455  125.713   20.319    145.359   35.002    115.726   24.955    30.964  4.3395  28.248  3.3644  2.715603       5.490969 
1 1 1 1   -7  45 o 16.029  3.4778  43.303    16.574    29.225    30.044    49.460    19.870    14.262  5.5211  17.796  4.2307  -3.533944      6.955643 
1 1 1 1   -7  46 o 8.0926  2.6735  -9.8874   12.383    -12.6242  24.907    -8.9887   14.272    9.1832  4.2559  7.0020  3.2368  2.181160       5.346943 
1 1 1 1   -7  47 o 10.546  4.3589  10.539    20.030    0.0000    0.0000    10.539    20.030    ?       ?       10.546  4.3589  ?              ?        
1 1 1 1   -7  48 o 20.266  3.7283  76.492    19.738    67.617    36.940    80.038    23.351    18.180  6.2613  22.352  4.0493  -4.172293      7.456609 
1 1 1 1   -6  0  o 441.066 8.1416  26190.26  961.635   25566.79  1359.68   26814.23  1360.23   435.788 11.649  446.346 11.378  -10.55814      16.28314 
1 1 1 1   -6  1  o 101.972 2.3011  1393.21   62.848    1384.08   89.018    1402.28   88.743    101.639 3.2699  102.305 3.2385  -0.6664734     4.602196 
1 1 1 1   -6  2  o 54.839  1.6214  402.829   23.815    399.786   33.623    405.893   33.738    54.631  2.2978  55.047  2.2882  -0.4157181     3.242779 
1 1 1 1   -6  3  o 81.159  1.9125  882.583   41.554    848.110   58.633    917.369   58.899    79.566  2.7512  82.752  2.6573  -3.185875      3.824964 
1 1 1 1   -6  4  o 43.575  1.4499  254.459   16.912    264.391   23.883    244.471   23.952    44.428  2.0070  42.721  2.0932  1.706749       2.899895 
1 1 1 1   -6  5  o 266.102 4.9545  9501.85   353.125   9562.65   499.438   9441.08   499.350   266.955 6.9848  265.250 7.0285  1.705658       9.908935 
1 1 1 1   -6  6  o 153.210 3.0450  3145.93   124.956   3155.18   176.839   3136.70   176.591   153.436 4.3029  152.985 4.3095  0.4502869      6.089937 
1 1 1 1   -6  7  o 176.141 3.4301  4158.89   161.796   4269.22   229.453   4049.79   228.181   178.466 4.8001  173.816 4.9012  4.650024       6.860206 
1 1 1 1   -6  8  o 195.011 3.7731  5098.51   197.078   5071.73   279.266   5125.08   278.159   194.500 5.3605  195.522 5.3114  -1.022125      7.546279 
1 1 1 1   -6  9  f 286.399 5.3790  11008.38  412.581   10825.01  583.789   11191.36  583.167   284.011 7.6742  288.787 7.5392  -4.776306      10.75793 
1 1 1 1   -6  10 o 235.935 4.4791  7465.08   283.057   7460.90   400.363   7469.27   400.243   235.869 6.3372  236.001 6.3317  -0.1325836     8.958240 
1 1 1 1   -6  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -6  12 o 71.001  1.9381  675.223   36.855    668.317   51.818    682.294   52.429    70.633  2.7389  71.368  2.7427  -0.7347107     3.876127 
1 1 1 1   -6  13 o 232.915 4.4725  7275.44   278.977   7415.56   394.253   7134.93   394.813   235.164 6.2592  230.665 6.3903  4.498749       8.944983 
1 1 1 1   -6  14 o 334.204 6.2334  14994.61  557.991   14932.17  788.691   15057.18  789.546   333.507 8.8290  334.902 8.8018  -1.395660      12.46689 
1 1 1 1   -6  15 o 371.579 6.9216  18545.57  688.859   18356.19  973.624   18735.41  974.764   369.675 9.8329  373.484 9.7440  -3.808990      13.84315 
1 1 1 1   -6  16 o 320.784 6.0037  13812.79  515.809   13613.85  728.881   14012.37  730.049   318.466 8.5449  323.103 8.4357  -4.636932      12.00734 
1 1 1 1   -6  17 o 154.849 3.1855  3213.42   132.121   3196.00   186.387   3231.02   187.310   154.427 4.5061  155.271 4.5038  -0.8440094     6.371001 
1 1 1 1   -6  18 o 237.799 4.5680  7585.60   290.949   7602.39   410.977   7568.74   411.953   238.063 6.4452  237.534 6.4749  0.5291595      9.135903 
1 1 1 1   -6  19 f 68.494  2.0043  628.648   36.762    634.452   51.604    622.667   52.384    68.816  2.7997  68.173  2.8688  0.6427383      4.008526 
1 1 1 1   -6  20 o 256.308 4.9292  8831.00   338.164   8470.91   478.996   9188.82   477.480   251.078 7.1225  261.538 6.8160  -10.45976      9.858444 
1 1 1 1   -6  21 o 90.504  2.2543  1106.49   53.329    1425.59   77.049    813.032   73.887    103.137 2.7891  77.871  3.5425  25.26587       4.508648 
1 1 1 1   -6  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -6  23 o 108.094 2.4586  1566.14   71.090    1683.30   102.129   1456.02   99.017    112.016 3.4039  104.172 3.5487  7.843987       4.917292 
1 1 1 1   -6  24 o 73.180  2.1128  725.994   40.949    618.650   59.060    825.366   56.825    67.905  3.2471  78.456  2.7041  -10.55028      4.225653 
1 1 1 1   -6  25 o 91.069  2.2964  1115.15   55.897    1066.52   80.550    1160.32   77.630    89.143  3.3736  92.995  3.1166  -3.852242      4.592879 
1 1 1 1   -6  26 f 230.598 4.4799  7180.31   276.693   7195.12   393.317   7165.79   389.320   230.826 6.3616  230.371 6.3094  0.4555054      8.959880 
1 1 1 1   -6  27 o 151.459 3.2126  3089.98   130.160   2959.31   185.997   3215.39   182.210   148.296 4.6826  154.622 4.3996  -6.326248      6.425210 
1 1 1 1   -6  28 o 108.348 2.5675  1577.07   74.448    1574.59   107.483   1579.36   103.219   108.259 3.7067  108.437 3.5538  -0.1777496     5.135052 
1 1 1 1   -6  29 o 238.969 4.6102  7731.03   294.969   8039.11   420.035   7431.27   414.322   243.699 6.4349  234.239 6.6037  9.460388       9.220487 
1 1 1 1   -6  30 o 93.810  2.3385  1178.06   58.624    1293.62   85.713    1076.48   80.360    98.121  3.2614  89.499  3.3522  8.621353       4.676937 
1 1 1 1   -6  31 o 33.333  2.2840  157.172   19.175    120.452   29.311    184.647   25.354    29.672  3.7733  36.994  2.5747  -7.321735      4.568050 
1 1 1 1   -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -6  33 o 96.844  2.4687  1268.01   63.835    1241.03   93.500    1291.57   87.364    95.843  3.6422  97.845  3.3336  -2.001587      4.937404 
1 1 1 1   -6  34 o 70.169  2.1306  659.094   39.869    727.004   59.875    605.001   53.438    73.383  3.0462  66.954  2.9798  6.428429       4.261290 
1 1 1 1   -6  35 o 75.656  2.2335  774.637   45.016    780.749   67.357    769.704   60.516    75.883  3.3140  75.429  2.9953  0.4538345      4.467042 
1 1 1 1   -6  36 o 11.213  2.8514  14.809    10.802    10.765    17.937    17.110    13.531    10.978  4.2614  11.449  3.7897  -0.4710445     5.702721 
1 1 1 1   -6  37 o 42.543  2.2274  253.772   24.372    218.395   37.865    278.797   31.846    39.800  3.5906  45.287  2.6368  -5.486851      4.454811 
1 1 1 1   -6  38 o 57.095  2.1686  443.226   32.669    463.199   50.560    428.910   42.804    58.118  3.2611  56.072  2.8595  2.046280       4.337264 
1 1 1 1   -6  39 o 41.176  2.2543  233.790   24.068    233.601   38.388    233.912   30.894    41.031  3.5273  41.321  2.8080  -0.2901459     4.508539 
1 1 1 1   -6  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -6  41 o 12.023  3.1510  16.636    12.531    19.116    23.398    15.639    14.839    12.912  4.9038  11.134  3.9583  1.777851       6.302060 
1 1 1 1   -6  42 o 26.561  3.1727  115.152   19.639    75.534    33.096    136.686   24.400    21.887  5.6172  31.235  2.9514  -9.348461      6.345398 
1 1 1 1   -6  43 o 33.820  2.8419  178.007   22.793    135.493   37.808    202.281   28.569    29.677  4.9293  37.962  2.8300  -8.284723      5.683888 
1 1 1 1   -6  44 o 21.293  3.2598  72.609    17.153    65.105    30.009    76.250    20.905    19.833  5.4711  22.753  3.5457  -2.919954      6.519615 
1 1 1 1   -6  45 o 9.8683  3.0306  3.1325    13.332    4.3938    26.127    2.6885    15.502    10.971  4.7696  8.7653  3.7402  2.206103       6.061188 
1 1 1 1   -6  46 o 23.821  3.3021  83.993    19.161    113.675   34.804    71.085    22.952    26.276  5.1293  21.367  4.1600  4.909052       6.604225 
1 1 1 1   -6  47 o 7.9113  2.6255  -10.6616  12.888    -27.3319  25.985    -5.2232   14.842    8.3160  3.9966  7.5066  3.4059  0.8094001      5.250983 
1 1 1 1   -6  48 o 30.265  3.1265  139.808   23.278    188.229   41.935    118.242   27.986    33.249  4.8517  27.280  3.9446  5.968569       6.252933 
1 1 1 1   -5  0  o 116.696 2.5506  1824.90   79.717    1799.97   112.860   1849.72   112.614   115.900 3.6355  117.492 3.5785  -1.591805      5.101223 
1 1 1 1   -5  1  o 129.836 2.7158  2259.13   94.438    2298.02   133.683   2220.40   133.429   130.952 3.8113  128.720 3.8700  2.231781       5.431699 
1 1 1 1   -5  2  o 152.281 3.0253  3108.13   123.392   3077.74   174.361   3138.62   174.644   151.535 4.2958  153.028 4.2608  -1.492416      6.050512 
1 1 1 1   -5  3  o 275.635 5.1365  10198.08  379.221   10205.57  536.192   10190.59  536.407   275.736 7.2600  275.533 7.2683  0.2031555      10.27305 
1 1 1 1   -5  4  o 129.539 2.6299  2248.75   91.242    2282.49   129.038   2215.01   129.033   130.511 3.6913  128.566 3.7470  1.944702       5.259839 
1 1 1 1   -5  5  o 283.631 5.2925  10799.51  402.067   10724.04  568.659   10874.95  568.558   282.638 7.5116  284.625 7.4578  -1.986481      10.58507 
1 1 1 1   -5  6  o 223.282 4.2425  6686.99   253.689   6833.12   359.430   6541.92   358.114   225.716 5.9451  220.848 6.0539  4.867905       8.484989 
1 1 1 1   -5  7  o 162.659 3.2347  3547.27   140.884   3450.27   199.557   3643.66   198.926   160.439 4.6437  164.878 4.5044  -4.439209      6.469472 
1 1 1 1   -5  8  o 150.100 3.0450  3019.44   122.418   3044.06   173.328   2994.93   172.924   150.710 4.2937  149.489 4.3187  1.221680       6.089971 
1 1 1 1   -5  9  o 109.668 2.4166  1611.45   70.984    1619.37   100.166   1603.46   100.607   109.939 3.4016  109.397 3.4335  0.5420074      4.833169 
1 1 1 1   -5  10 o 119.223 2.5864  1904.66   82.564    1840.35   116.408   1969.76   117.121   117.197 3.7083  121.249 3.6063  -4.051849      5.172752 
1 1 1 1   -5  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -5  12 o 548.356 10.113  40559.88  1484.25   38678.34  2097.33   42447.59  2100.76   535.527 14.622  561.184 13.976  -25.65686      20.22673 
1 1 1 1   -5  13 f 101.686 2.3541  1385.25   64.116    1379.03   90.410    1391.54   90.941    101.456 3.3270  101.916 3.3314  -0.4592896     4.708177 
1 1 1 1   -5  14 o 406.996 7.5301  22262.66  820.867   22084.16  1160.40   22441.46  1161.36   405.358 10.688  408.634 10.611  -3.276398      15.06029 
1 1 1 1   -5  15 o 78.321  2.0754  821.972   43.525    839.558   61.284    804.073   61.826    79.166  2.8902  77.475  2.9793  1.691704       4.150836 
1 1 1 1   -5  16 f 355.366 6.6258  16958.82  630.663   16871.19  891.392   17046.66  892.393   354.445 9.3893  356.287 9.3512  -1.842407      13.25153 
1 1 1 1   -5  17 o 357.414 6.6895  17176.64  639.385   18303.10  904.706   16052.57  903.748   369.168 9.1494  345.660 9.7613  23.50732       13.37893 
1 1 1 1   -5  18 o 311.247 5.8442  13008.53  487.151   13284.10  690.189   12734.95  687.689   314.539 8.1923  307.955 8.3371  6.584106       11.68849 
1 1 1 1   -5  19 o 415.942 7.7764  23312.41  865.979   22526.88  1225.21   24096.58  1224.15   408.896 11.187  422.988 10.805  -14.09152      15.55282 
1 1 1 1   -5  20 o 162.654 3.2921  3548.56   143.407   3523.77   204.057   3572.76   201.582   162.090 4.7001  163.218 4.6110  -1.127411      6.584231 
1 1 1 1   -5  21 o 185.380 3.7232  4617.70   184.710   4427.88   262.440   4804.04   260.016   181.590 5.3957  189.170 5.1317  -7.579910      7.446321 
1 1 1 1   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -5  23 o 140.777 2.9761  2661.84   112.178   2628.49   160.179   2693.95   157.153   139.906 4.2745  141.649 4.1421  -1.742920      5.952135 
1 1 1 1   -5  24 o 36.872  1.8827  186.798   18.082    152.735   26.477    216.574   24.755    33.615  2.9713  40.129  2.3129  -6.514149      3.765357 
1 1 1 1   -5  25 o 290.656 5.5317  11449.62  430.187   12122.08  610.919   10788.25  605.865   299.209 7.6229  282.104 8.0182  17.10492       11.06349 
1 1 1 1   -5  26 o 90.045  2.2622  1086.99   54.517    1116.71   79.020    1060.00   75.312    91.216  3.2343  88.874  3.1637  2.342140       4.524325 
1 1 1 1   -5  27 o 144.074 3.0465  2790.30   117.532   2825.16   168.600   2757.34   163.928   144.945 4.3428  143.204 4.2737  1.741104       6.092979 
1 1 1 1   -5  28 o 131.274 2.9256  2322.44   102.628   2194.14   147.350   2443.30   143.022   127.724 4.3072  134.825 3.9604  -7.101532      5.851212 
1 1 1 1   -5  29 o 149.593 3.1261  3009.50   125.167   3172.90   179.845   2856.01   174.311   153.535 4.3732  145.650 4.4681  7.884705       6.252140 
1 1 1 1   -5  30 o 76.966  2.1812  794.725   44.859    809.823   66.005    781.764   61.154    77.637  3.1741  76.294  2.9926  1.343315       4.362382 
1 1 1 1   -5  31 o 98.063  2.4660  1299.33   64.493    1223.34   93.882    1367.23   88.748    95.310  3.6775  100.816 3.2865  -5.505676      4.932076 
1 1 1 1   -5  32 o 104.010 2.5791  1460.38   71.650    1439.94   104.909   1478.24   98.091    103.298 3.7917  104.722 3.4971  -1.423943      5.158117 
1 1 1 1   -5  33 o 48.964  2.1294  330.409   27.176    283.789   41.111    366.592   36.217    45.730  3.3803  52.198  2.5904  -6.468006      4.258731 
1 1 1 1   -5  34 o 69.654  2.1309  650.091   39.576    708.919   59.540    603.526   52.972    72.445  3.0684  66.863  2.9578  5.581413       4.261894 
1 1 1 1   -5  35 o 69.736  2.1413  651.663   39.773    724.273   60.243    595.560   52.955    73.132  3.0755  66.339  2.9802  6.793571       4.282548 
1 1 1 1   -5  36 o 32.175  2.1907  136.603   18.283    172.343   29.500    114.314   23.296    35.486  3.1359  28.864  3.0599  6.622267       4.381441 
1 1 1 1   -5  37 o 68.549  2.2183  636.656   40.405    665.745   61.688    614.800   53.471    69.853  3.2970  67.245  2.9687  2.608551       4.436642 
1 1 1 1   -5  38 f 72.296  2.2414  703.407   43.058    807.058   66.119    627.082   56.738    76.830  3.2129  67.761  3.1261  9.069389       4.482810 
1 1 1 1   -5  39 o 61.906  2.2732  524.506   37.078    541.027   57.804    512.956   48.332    62.567  3.4627  61.246  2.9462  1.320961       4.546480 
1 1 1 1   -5  40 o 17.376  3.0930  40.771    13.873    58.313    24.113    32.092    16.960    19.881  4.6166  14.870  4.1175  5.010922       6.186036 
1 1 1 1   -5  41 o 51.811  2.3361  373.260   31.496    384.808   50.492    365.904   40.297    52.241  3.6310  51.382  2.9402  0.8591995      4.672170 
1 1 1 1   -5  42 o 17.937  3.1884  54.309    16.212    23.059    28.069    69.951    19.859    13.844  5.3428  22.031  3.4810  -8.187431      6.376731 
1 1 1 1   -5  43 o 20.548  3.2489  62.189    16.554    74.787    29.322    56.296    20.056    21.731  5.1214  19.366  3.9989  2.364891       6.497741 
1 1 1 1   -5  44 o 35.563  2.8602  196.794   24.539    161.247   40.703    217.092   30.757    32.068  4.8938  39.057  2.9621  -6.988781      5.720412 
1 1 1 1   -5  45 o 15.432  3.5493  32.750    15.841    57.221    29.393    22.732    18.806    18.347  5.5262  12.517  4.4555  5.829502       7.098652 
1 1 1 1   -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -5  47 o 19.268  3.7746  58.384    18.559    87.723    35.495    47.345    21.772    21.735  5.9315  16.802  4.6698  4.932644       7.549162 
1 1 1 1   -5  48 o 11.051  3.2638  14.502    14.983    10.464    29.701    15.881    17.353    11.370  5.0101  10.732  4.1844  0.6378746      6.527672 
1 1 1 1   -4  0  o 128.824 2.7327  2225.22   94.217    2124.73   133.286   2325.57   133.201   125.913 3.9521  131.734 3.7750  -5.820847      5.465309 
1 1 1 1   -4  1  o 237.043 4.5029  7544.10   285.570   7969.95   404.222   7119.78   403.493   243.738 6.1917  230.348 6.5398  13.38942       9.005866 
1 1 1 1   -4  2  o 544.759 10.022  40106.07  1462.30   39929.88  2067.80   40282.33  2068.21   543.551 14.203  545.966 14.143  -2.414551      20.04365 
1 1 1 1   -4  3  o 419.615 7.7296  23716.26  868.287   24622.11  1228.56   22812.23  1227.32   427.665 10.725  411.565 11.134  16.10083       15.45912 
1 1 1 1   -4  4  o 94.063  2.1076  1185.51   53.089    1214.39   75.192    1156.80   74.968    95.206  2.9486  92.920  3.0122  2.285774       4.215137 
1 1 1 1   -4  5  o 379.037 7.0166  19325.42  712.305   19068.17  1007.59   19582.41  1007.11   376.504 9.9914  381.570 9.8540  -5.066010      14.03318 
1 1 1 1   -4  6  o 102.165 2.2776  1398.47   62.324    1399.36   88.370    1397.60   87.912    102.197 3.2283  102.133 3.2136  0.6402588E-01  4.555158 
1 1 1 1   -4  7  o 394.165 7.2770  20899.29  768.257   21081.36  1086.44   20717.19  1086.52   395.890 10.246  392.441 10.337  3.449432       14.55398 
1 1 1 1   -4  8  o 140.025 2.9238  2628.87   109.586   2734.61   154.831   2522.74   155.124   142.849 4.0466  137.200 4.2212  5.649307       5.847538 
1 1 1 1   -4  9  o 311.195 5.8150  13002.27  484.697   12995.84  685.272   13008.71  685.657   311.118 8.2233  311.272 8.2239  -0.1539612     11.62996 
1 1 1 1   -4  10 o 115.772 2.5449  1796.23   78.873    1724.12   111.278   1869.02   111.811   113.436 3.6624  118.109 3.5344  -4.672501      5.089719 
1 1 1 1   -4  11 o 169.684 4.8101  3862.93   218.569   3931.41   307.829   3793.31   310.393   171.205 6.7128  168.164 6.8911  3.040649       9.620257 
1 1 1 1   -4  12 o 304.736 8.1241  12496.79  662.631   11945.93  937.040   13047.80  937.165   297.986 11.740  311.486 11.233  -13.49936      16.24828 
1 1 1 1   -4  13 o 68.776  1.9314  633.871   35.565    650.760   50.100    616.715   50.496    69.700  2.6836  67.851  2.7785  1.848251       3.862866 
1 1 1 1   -4  14 o 238.829 4.5712  7648.90   292.412   7578.88   413.158   7719.17   413.909   237.733 6.4884  239.925 6.4408  -2.192352      9.142396 
1 1 1 1   -4  15 o 117.012 2.6774  1897.29   77.599    2014.37   95.024    1662.93   134.444   122.627 2.8931  111.397 4.5059  11.22984       5.354709 
1 1 1 1   -4  16 o 108.769 3.4951  1525.00   97.272    1395.51   118.840   1787.87   169.319   102.049 4.3477  115.488 5.4737  -13.43892      6.990273 
1 1 1 1   -4  17 o 378.327 7.0090  19231.75  710.243   19396.64  1005.65   19067.65  1003.23   379.949 9.8817  376.705 9.9428  3.243622       14.01810 
1 1 1 1   -4  18 o 261.497 5.0028  9178.10   350.292   8937.78   496.351   9416.57   494.429   258.078 7.1804  264.916 6.9680  -6.837769      10.00555 
1 1 1 1   -4  19 f 131.110 2.7724  2311.16   96.498    2706.08   138.061   1933.95   134.930   142.102 3.6273  120.117 4.1939  21.98504       5.544874 
1 1 1 1   -4  20 o 270.854 5.1725  9862.96   375.157   9640.02   531.670   10084.03  529.442   267.792 7.4123  273.916 7.2162  -6.124451      10.34491 
1 1 1 1   -4  21 o 98.429  2.3046  1298.57   60.452    1479.65   87.024    1129.70   84.037    105.064 3.0924  91.794  3.4180  13.27037       4.609293 
1 1 1 1   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -4  23 o 160.531 3.2332  3462.91   138.692   3782.02   198.149   3156.42   194.190   167.801 4.4087  153.262 4.7305  14.53935       6.466352 
1 1 1 1   -4  24 o 91.392  2.3384  1128.27   56.845    1000.75   81.783    1247.46   79.067    86.350  3.5360  96.435  3.0611  -10.08431      4.676897 
1 1 1 1   -4  25 o 38.209  1.8719  195.772   18.985    209.335   28.171    184.487   25.696    39.418  2.6842  37.000  2.6096  2.418159       3.743702 
1 1 1 1   -4  26 o 182.745 3.6646  4495.78   179.336   4623.53   256.038   4372.74   251.268   185.297 5.1588  180.193 5.2061  5.104614       7.329136 
1 1 1 1   -4  27 o 223.751 4.3505  6759.15   260.514   7135.94   371.332   6393.94   365.581   229.927 6.0295  217.575 6.2731  12.35220       8.701005 
1 1 1 1   -4  28 o 164.022 3.4887  3635.05   152.751   3345.43   218.341   3912.67   213.776   157.557 5.1738  170.488 4.6814  -12.93111      6.977382 
1 1 1 1   -4  29 o 92.359  2.3480  1143.59   58.006    1186.88   84.759    1105.46   79.553    93.996  3.3666  90.722  3.2738  3.273560       4.695918 
1 1 1 1   -4  30 f 78.673  2.2093  829.380   46.455    864.275   68.456    799.595   63.246    80.198  3.1869  77.149  3.0607  3.049126       4.418571 
1 1 1 1   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -4  32 o 56.392  2.1369  430.991   31.873    411.500   47.952    446.417   42.660    55.172  3.2593  57.612  2.7645  -2.439362      4.273836 
1 1 1 1   -4  33 o 60.483  2.1420  497.336   34.213    469.124   51.635    519.414   45.679    58.861  3.2882  62.105  2.7460  -3.243137      4.284031 
1 1 1 1   -4  34 o 39.337  2.0686  206.440   21.415    235.800   33.353    185.846   27.933    41.672  3.0084  37.001  2.8402  4.671585       4.137245 
1 1 1 1   -4  35 o 70.809  2.2073  679.552   41.572    680.203   62.596    679.039   55.606    70.790  3.3013  70.829  2.9310  -0.3961945E-01 4.414693 
1 1 1 1   -4  36 o 69.993  2.2574  668.882   41.903    646.025   63.252    686.760   55.939    68.841  3.4303  71.146  2.9355  -2.304619      4.514892 
1 1 1 1   -4  37 f 75.826  2.3352  787.246   46.964    767.103   71.035    802.888   62.597    74.853  3.5430  76.799  3.0430  -1.945885      4.670420 
1 1 1 1   -4  38 o 44.211  2.2409  269.781   25.764    262.373   40.601    274.774   33.335    43.573  3.5085  44.849  2.7888  -1.276165      4.481856 
1 1 1 1   -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -4  40 o 36.208  2.3892  181.005   22.194    192.346   36.542    174.376   27.938    36.931  3.7460  35.485  2.9666  1.446079       4.778433 
1 1 1 1   -4  41 o 17.074  3.3029  42.412    14.894    48.159    25.846    39.554    18.225    17.805  5.1359  16.343  4.1543  1.461342       6.605764 
1 1 1 1   -4  42 o 12.505  2.9292  4.2121    12.549    50.805    24.361    -12.6155  14.640    18.136  4.8993  6.8748  3.2119  11.26113       5.858301 
1 1 1 1   -4  43 o 33.750  2.6447  162.583   22.282    178.868   38.659    154.481   27.267    34.585  4.2634  32.914  3.1306  1.671261       5.289351 
1 1 1 1   -4  44 o 11.367  3.2616  12.150    14.099    16.659    27.120    10.481    16.505    12.546  5.1157  10.188  4.0475  2.357500       6.523224 
1 1 1 1   -4  45 o 8.2041  2.6833  -7.8854   12.122    -10.8232  24.238    -6.9054   13.999    9.2416  4.2527  7.1666  3.2732  2.074996       5.366520 
1 1 1 1   -4  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -4  47 o 14.262  3.4800  35.837    17.286    11.374    33.450    44.750    20.190    12.130  5.3319  16.393  4.4735  -4.263474      6.959988 
1 1 1 1   -3  0  o 381.424 7.0835  19580.29  723.317   18860.28  1022.50   20301.49  1023.35   374.371 10.197  388.477 9.8349  -14.10544      14.16701 
1 1 1 1   -3  1  f 308.869 5.7458  12815.85  475.340   12927.41  672.246   12704.30  672.218   310.218 8.0904  307.521 8.1611  2.696808       11.49165 
1 1 1 1   -3  2  o 161.055 3.1359  3477.05   135.276   3447.69   191.213   3506.47   191.407   160.374 4.4514  161.736 4.4184  -1.362289      6.271880 
1 1 1 1   -3  3  o 456.514 8.4618  28096.78  1034.63   28398.19  1463.49   27795.62  1462.90   458.978 11.904  454.051 12.029  4.926697       16.92356 
1 1 1 1   -3  4  o 523.833 9.6483  37063.59  1353.72   36960.19  1914.66   37166.95  1914.24   523.096 13.665  524.570 13.624  -1.474609      19.29655 
1 1 1 1   -3  5  o 184.860 3.6020  4582.37   178.330   4663.48   252.187   4501.25   252.206   186.499 5.0485  183.222 5.1391  3.276337       7.203990 
1 1 1 1   -3  6  o 514.714 9.5631  35765.79  1318.42   35819.89  1864.52   35711.68  1864.53   515.107 13.514  514.322 13.535  0.7849121      19.12621 
1 1 1 1   -3  7  o 254.604 4.8294  8698.70   329.328   8775.87   465.662   8621.48   465.819   255.736 6.7981  253.471 6.8612  2.264053       9.658713 
1 1 1 1   -3  8  o 135.260 2.8331  2451.75   102.639   2453.16   145.001   2450.35   145.307   135.299 4.0012  135.221 4.0119  0.7763672E-01  5.666115 
1 1 1 1   -3  9  o 217.762 4.2108  6359.35   245.598   6404.12   347.194   6314.51   347.462   218.531 5.9316  216.994 5.9782  1.536545       8.421553 
1 1 1 1   -3  10 o 212.762 4.1161  6069.92   234.554   5983.36   331.434   6156.77   331.984   211.241 5.8577  214.283 5.7842  -3.042526      8.232225 
1 1 1 1   -3  11 o 230.691 6.2619  7145.87   386.899   7042.89   545.976   7249.74   548.349   229.018 8.9005  232.363 8.8105  -3.345093      12.52374 
1 1 1 1   -3  12 o 325.518 8.6173  14260.65  751.299   14162.85  1065.37   14357.39  1059.65   324.398 12.261  326.638 12.112  -2.239777      17.23458 
1 1 1 1   -3  13 o 470.092 8.6496  29766.87  1087.14   31887.63  1539.93   27659.70  1534.98   486.877 11.808  453.306 12.642  33.57092       17.29923 
1 1 1 1   -3  14 f 236.422 4.5354  7498.41   287.052   7233.58   406.609   7761.53   405.299   232.253 6.5362  240.591 6.2894  -8.338120      9.070735 
1 1 1 1   -3  15 f 299.977 5.8045  12107.25  464.526   10863.77  656.829   13351.56  657.048   284.496 8.6196  315.458 7.7762  -30.96234      11.60891 
1 1 1 1   -3  16 o 289.208 5.4842  11223.28  424.789   11081.03  601.628   11364.69  599.860   287.376 7.8161  291.039 7.6950  -3.663330      10.96832 
1 1 1 1   -3  17 o 323.584 6.0127  14064.55  520.555   14868.72  737.951   13268.07  734.414   332.816 8.2782  314.352 8.7224  18.46429       12.02533 
1 1 1 1   -3  18 o 368.777 6.8037  18302.10  670.553   19768.53  950.715   16850.44  945.915   383.545 9.2543  354.009 9.9758  29.53555       13.60733 
1 1 1 1   -3  19 o 114.911 2.5316  1768.64   77.837    1885.49   111.444   1657.34   108.762   118.616 3.5077  111.205 3.6514  7.410950       5.063293 
1 1 1 1   -3  20 o 277.632 5.2414  10363.90  389.710   10603.20  552.783   10127.43  549.497   280.827 7.3490  274.436 7.4754  6.391235       10.48280 
1 1 1 1   -3  21 o 179.621 3.6311  4333.72   174.641   4248.35   248.449   4417.09   245.536   177.865 5.2151  181.378 5.0541  -3.512711      7.262263 
1 1 1 1   -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -3  23 o 99.961  2.3689  1339.92   63.394    1359.29   91.367    1321.94   88.032    100.656 3.3889  99.267  3.3109  1.388481       4.737817 
1 1 1 1   -3  24 o 82.243  2.1749  908.203   47.833    890.834   69.254    924.048   66.145    81.486  3.1730  83.000  2.9753  -1.514000      4.349763 
1 1 1 1   -3  25 f 86.015  2.2755  999.247   52.087    901.527   75.384    1088.52   72.052    81.953  3.4342  90.077  2.9864  -8.123962      4.551067 
1 1 1 1   -3  26 o 133.919 2.8832  2409.02   103.387   2450.25   148.550   2370.29   143.980   135.026 4.1074  132.811 4.0474  2.215012       5.766464 
1 1 1 1   -3  27 o 107.868 2.8190  1615.66   75.981    1723.34   93.909    1411.56   129.292   113.319 3.0939  102.417 4.7131  10.90192       5.637905 
1 1 1 1   -3  28 o 97.485  2.3851  1271.42   62.086    1420.79   90.635    1139.37   85.221    102.866 3.2895  92.105  3.4544  10.76138       4.770124 
1 1 1 1   -3  29 o 165.024 3.4285  3670.76   151.497   3695.42   217.239   3647.42   211.379   165.552 4.8991  164.496 4.7975  1.056061       6.856921 
1 1 1 1   -3  30 o 115.333 2.5992  1783.78   80.019    2004.71   116.649   1587.42   109.974   122.071 3.5676  108.595 3.7809  13.47563       5.198347 
1 1 1 1   -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -3  32 f 40.196  2.0816  216.017   22.035    236.942   34.168    201.118   28.832    41.833  3.0709  38.559  2.8110  3.273300       4.163147 
1 1 1 1   -3  33 o 78.129  2.2660  823.384   47.182    832.015   70.493    816.379   63.504    78.469  3.3539  77.789  3.0478  0.6807098      4.531909 
1 1 1 1   -3  34 o 63.435  2.1634  544.772   36.382    545.498   55.103    544.211   48.441    63.391  3.2563  63.478  2.8491  -0.8684158E-01 4.326740 
1 1 1 1   -3  35 o 32.490  2.2290  143.027   18.734    151.496   30.108    137.677   23.930    33.208  3.4346  31.772  2.8420  1.436152       4.457975 
1 1 1 1   -3  36 o 23.352  2.6595  78.757    15.230    68.099    25.063    84.996    19.176    21.846  4.4348  24.858  2.9368  -3.012365      5.319064 
1 1 1 1   -3  37 o 19.153  2.9511  55.232    14.283    41.953    23.816    62.691    17.849    17.104  4.9290  21.201  3.2466  -4.097155      5.902122 
1 1 1 1   -3  38 o 17.385  2.7589  50.316    14.074    7.0311    23.200    75.520    17.704    11.405  4.7003  23.366  2.8904  -11.96078      5.517876 
1 1 1 1   -3  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -3  40 o 40.316  2.3870  227.669   24.779    225.406   39.939    229.085   31.595    39.938  3.7784  40.693  2.9181  -0.7542191     4.774057 
1 1 1 1   -3  41 o 16.691  3.3167  43.251    15.113    33.934    27.249    47.390    18.163    15.424  5.3740  17.957  3.8889  -2.533078      6.633462 
1 1 1 1   -3  42 o 32.205  2.6534  144.715   21.518    170.273   37.092    131.751   26.418    34.017  4.1575  30.393  3.2981  3.624779       5.306806 
1 1 1 1   -3  43 o 33.641  2.7461  168.022   22.922    162.131   38.525    171.251   28.519    32.634  4.5295  34.648  3.1060  -2.013474      5.492140 
1 1 1 1   -3  44 f 19.009  3.4719  54.842    16.792    69.481    30.300    48.353    20.173    20.416  5.4421  17.603  4.3126  2.812912       6.943701 
1 1 1 1   -3  45 o 16.525  3.6475  37.625    16.874    69.172    31.795    25.255    19.910    20.030  5.6703  13.020  4.5897  7.009542       7.295081 
1 1 1 1   -3  46 o 14.573  3.7096  32.945    17.117    39.590    32.728    30.442    20.083    15.342  5.8062  13.805  4.6186  1.537360       7.419123 
1 1 1 1   -3  47 o 22.991  3.5437  80.474    19.749    126.652   37.400    62.619    23.256    26.688  5.4171  19.295  4.5703  7.393202       7.087486 
1 1 1 1   -2  0  o 141.784 2.9436  2694.53   111.780   2662.61   158.143   2726.40   158.019   140.944 4.1891  142.624 4.1365  -1.679810      5.887146 
1 1 1 1   -2  1  o 518.076 9.5860  36324.96  1325.89   32922.99  1872.44   39746.25  1877.75   493.496 14.166  542.655 12.919  -49.15851      19.17194 
1 1 1 1   -2  2  o 474.343 8.7145  30358.16  1106.58   29178.41  1564.21   31540.13  1565.68   465.051 12.558  483.636 12.086  -18.58545      17.42907 
1 1 1 1   -2  3  o 55.307  1.6720  410.001   24.750    392.461   35.060    427.426   34.945    54.126  2.4183  56.487  2.3097  -2.360332      3.344077 
1 1 1 1   -2  4  o 594.084 11.057  47832.16  1757.62   45316.68  2483.76   50355.34  2487.55   578.257 16.036  609.911 15.227  -31.65466      22.11383 
1 1 1 1   -2  5  o 313.548 5.8622  13208.83  492.259   13466.81  696.248   12950.97  696.072   316.619 8.2099  310.477 8.3702  6.141876       11.72446 
1 1 1 1   -2  6  o 91.145  2.1777  1113.09   53.161    1127.11   75.119    1099.02   75.243    91.720  3.0577  90.569  3.1017  1.150703       4.355472 
1 1 1 1   -2  7  o 410.578 7.6189  22690.35  837.686   23239.11  1184.92   22142.06  1184.41   415.565 10.645  405.591 10.902  9.974823       15.23774 
1 1 1 1   -2  8  f 267.773 5.0234  9629.44   359.775   10249.54  509.839   9014.37   507.765   276.383 6.8870  259.164 7.3148  17.21927       10.04674 
1 1 1 1   -2  9  o 299.737 5.6163  12060.47  450.898   12052.86  638.334   12068.05  637.000   299.641 7.9535  299.832 7.9318  -0.1906128     11.23261 
1 1 1 1   -2  10 o 283.352 5.3190  10784.13  402.967   11562.71  571.244   10012.94  568.528   293.561 7.2650  273.144 7.7709  20.41711       10.63800 
1 1 1 1   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -2  12 o 60.899  1.8317  499.236   29.412    607.102   42.333    398.584   40.893    67.323  2.3476  54.475  2.8122  12.84806       3.663327 
1 1 1 1   -2  13 o 388.717 7.2535  20304.52  755.138   19996.69  1068.55   20611.63  1067.31   385.763 10.342  391.670 10.174  -5.907684      14.50695 
1 1 1 1   -2  14 o 227.394 4.3709  6933.14   266.211   6914.16   377.396   6951.93   375.570   227.083 6.2047  227.705 6.1579  -0.6213074     8.741734 
1 1 1 1   -2  15 o 110.356 2.4737  1631.28   73.024    1746.89   104.324   1520.23   102.250   114.190 3.4109  106.523 3.5837  7.667183       4.947448 
1 1 1 1   -2  16 o 310.919 5.8126  12978.33  483.849   12547.69  684.998   13407.13  683.536   305.759 8.3641  316.080 8.0737  -10.32135      11.62516 
1 1 1 1   -2  17 o 333.274 6.2416  14915.42  557.162   14999.21  789.250   14832.18  786.648   334.208 8.8167  332.340 8.8371  1.868225       12.48314 
1 1 1 1   -2  18 o 501.611 9.2024  33953.07  1235.30   35659.46  1749.74   32257.42  1744.23   514.266 12.703  488.956 13.318  25.30988       18.40474 
1 1 1 1   -2  19 o 199.684 4.0000  5364.76   213.163   4858.71   302.428   5864.36   300.497   190.282 5.9338  209.086 5.3657  -18.80463      8.000075 
1 1 1 1   -2  20 o 335.066 6.4183  15175.95  573.636   13602.90  811.584   16746.35  810.903   317.552 9.5418  352.580 8.5866  -35.02753      12.83650 
1 1 1 1   -2  21 o 125.456 2.7134  2109.90   91.052    2268.38   130.546   1959.76   127.058   130.046 3.7478  120.867 3.9247  9.178825       5.426712 
1 1 1 1   -2  22 o 355.895 6.6710  17169.67  635.865   17474.11  901.483   16868.24  897.033   359.062 9.3734  352.728 9.4947  6.334320       13.34202 
1 1 1 1   -2  23 o 259.622 4.9549  9097.71   344.547   9186.47   489.393   9010.48   485.162   260.879 7.0037  258.366 7.0107  2.513000       9.909735 
1 1 1 1   -2  24 o 171.298 3.4619  3945.28   158.803   4059.67   226.850   3835.35   222.378   173.735 4.8749  168.861 4.9167  4.874496       6.923742 
1 1 1 1   -2  25 o 179.343 3.5789  4327.32   171.842   4510.56   245.573   4151.51   240.548   183.071 5.0081  175.615 5.1139  7.456055       7.157700 
1 1 1 1   -2  26 o 152.417 3.2641  3130.45   133.021   2977.09   190.492   3276.40   185.835   148.743 4.7814  156.091 4.4449  -7.348251      6.528268 
1 1 1 1   -2  27 f 205.899 4.1273  5725.53   227.406   5515.25   324.253   5929.07   319.012   202.135 5.9890  209.664 5.6806  -7.528763      8.254530 
1 1 1 1   -2  28 o 156.810 3.2925  3313.99   138.143   3224.64   198.257   3398.31   192.594   154.731 4.7837  158.890 4.5254  -4.159424      6.585052 
1 1 1 1   -2  29 o 66.806  2.2185  611.948   38.824    507.664   57.247    700.756   52.829    61.357  3.4979  72.255  2.7297  -10.89804      4.436933 
1 1 1 1   -2  30 o 41.533  2.1249  236.188   23.080    211.478   34.774    255.642   30.855    39.516  3.3161  43.550  2.6579  -4.034271      4.249819 
1 1 1 1   -2  31 o 127.478 2.8943  2193.70   98.710    2214.70   143.407   2174.78   136.075   128.035 4.1817  126.922 4.0027  1.112793       5.788652 
1 1 1 1   -2  32 o 57.411  2.1009  442.650   31.992    466.464   48.529    424.348   42.545    58.752  3.0947  56.070  2.8422  2.682091       4.201848 
1 1 1 1   -2  33 o 56.558  2.1188  432.914   31.717    428.838   48.142    436.040   42.160    56.246  3.2089  56.871  2.7677  -0.6247253     4.237557 
1 1 1 1   -2  34 o 31.909  2.1587  137.228   17.966    149.263   28.312    129.115   23.246    33.037  3.2413  30.781  2.8520  2.255764       4.317361 
1 1 1 1   -2  35 o 70.568  2.2228  674.952   41.665    685.263   63.325    667.080   55.328    70.984  3.3306  70.153  2.9445  0.8310928      4.445582 
1 1 1 1   -2  36 o 8.7638  2.6148  -0.5412   10.043    7.9600    17.496    -4.7191   12.265    10.414  4.1576  7.1139  3.1723  3.299804       5.229679 
1 1 1 1   -2  37 o 32.822  2.6411  160.964   20.712    114.219   33.465    189.988   26.370    28.324  4.5664  37.321  2.6553  -8.996523      5.282268 
1 1 1 1   -2  38 o 15.582  3.4670  34.575    17.997    51.100    22.468    4.9870    30.064    18.736  4.5275  12.429  5.2520  6.307263       6.934097 
1 1 1 1   -2  39 o 43.469  2.3705  265.403   26.412    250.747   42.615    274.544   33.654    42.253  3.8063  44.686  2.8264  -2.432560      4.740945 
1 1 1 1   -2  40 o 16.085  3.2585  35.751    13.976    47.036    24.989    30.615    16.859    17.688  5.0337  14.482  4.1392  3.206107       6.516967 
1 1 1 1   -2  41 o 20.208  3.2778  54.972    16.599    86.858    29.947    40.831    19.943    23.940  4.8366  16.475  4.4253  7.464886       6.555608 
1 1 1 1   -2  42 o 22.099  3.2294  68.137    17.660    99.149    31.405    53.794    21.357    25.402  4.7915  18.797  4.3310  6.604643       6.458789 
1 1 1 1   -2  43 o 37.070  2.8462  208.576   25.722    188.827   43.767    218.996   31.792    34.926  4.8058  39.214  3.0509  -4.287506      5.692376 
1 1 1 1   -2  44 o 19.872  3.4776  68.811    18.462    45.915    32.305    79.916    22.498    16.639  5.8482  23.106  3.7648  -6.467882      6.955245 
1 1 1 1   -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -2  46 f 10.249  3.1204  6.2463    15.303    -15.6430  30.560    13.572    17.679    9.8495  4.6141  10.648  4.2020  -0.7987270     6.240711 
1 1 1 1   -2  47 o 13.467  3.2901  31.664    17.268    -8.9784   33.136    46.817    20.233    10.362  4.8380  16.571  4.4600  -6.209616      6.580135 
1 1 1 1   -1  0  o 184.406 11.560  6608.74   389.579   1.5596    545.690   13476.83  556.361   51.909  22.171  316.904 6.5545  -264.9947      23.11963 
1 1 1 1   -1  1  o 373.976 22.885  27569.79  1568.08   100.157   2191.03   56413.34  2245.16   101.473 43.895  646.479 12.966  -545.0059      45.76986 
1 1 1 1   -1  2  o 242.988 4.5634  8000.68   279.008   7692.48   481.685   8156.29   342.273   239.347 7.5136  246.628 5.1813  -7.281113      9.126871 
1 1 1 1   -1  3  o 426.514 7.8925  24507.24  901.491   25045.84  1275.22   23969.18  1274.58   431.225 11.041  421.802 11.282  9.423187       15.78506 
1 1 1 1   -1  4  o 581.630 10.738  45848.05  1669.22   49411.79  2364.04   42304.77  2357.25   604.431 14.602  558.830 15.748  45.60181       21.47643 
1 1 1 1   -1  5  o 503.037 9.2734  34154.14  1249.45   33944.83  1766.84   34363.53  1767.16   501.484 13.154  504.591 13.075  -3.106812      18.54675 
1 1 1 1   -1  6  o 300.933 5.6703  12162.86  457.029   12016.48  646.142   12309.42  646.532   299.116 8.0649  302.750 7.9729  -3.633759      11.34063 
1 1 1 1   -1  7  o 377.316 7.0439  19149.26  711.654   18576.72  1005.86   19723.09  1007.00   371.645 10.105  382.987 9.8165  -11.34125      14.08786 
1 1 1 1   -1  8  o 237.557 4.5254  7570.52   287.918   7693.47   407.097   7447.46   407.257   239.491 6.3463  235.624 6.4530  3.866470       9.050763 
1 1 1 1   -1  9  o 263.353 4.9696  9307.92   350.360   8943.71   494.987   9673.60   495.983   258.180 7.1579  268.526 6.8959  -10.34653      9.939229 
1 1 1 1   -1  10 o 119.126 2.5532  1901.65   81.452    1939.51   115.057   1863.62   115.323   120.315 3.5703  117.937 3.6507  2.378464       5.106338 
1 1 1 1   -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -1  12 o 143.528 2.9873  2760.43   114.842   2738.70   162.215   2782.26   162.609   142.961 4.2363  144.094 4.2132  -1.132874      5.974669 
1 1 1 1   -1  13 o 303.981 5.6637  12400.45  461.091   12171.91  651.683   12629.56  652.481   301.171 8.0786  306.791 7.9403  -5.620087      11.32745 
1 1 1 1   -1  14 o 72.497  1.9421  704.033   37.712    702.022   53.164    706.070   53.503    72.393  2.7418  72.601  2.7514  -0.2083740     3.884240 
1 1 1 1   -1  15 o 236.325 4.4671  7489.83   282.668   7255.90   399.278   7724.87   400.230   232.621 6.4082  240.029 6.2252  -7.407990      8.934138 
1 1 1 1   -1  16 o 279.995 5.2585  10518.11  394.352   10615.63  557.510   10420.46  557.885   281.296 7.3995  278.694 7.4736  2.602692       10.51696 
1 1 1 1   -1  17 o 596.649 11.055  48112.43  1766.14   49525.91  2498.58   46700.95  2496.81   605.485 15.406  587.812 15.858  17.67310       22.10983 
1 1 1 1   -1  18 o 330.658 6.0854  14694.74  538.839   15058.43  762.110   14331.19  761.956   334.763 8.4995  326.552 8.7114  8.211060       12.17085 
1 1 1 1   -1  19 o 328.589 6.2286  14532.57  548.146   14739.75  775.137   14325.32  775.253   330.943 8.7445  326.234 8.8721  4.709045       12.45713 
1 1 1 1   -1  20 o 330.100 6.1671  14695.30  545.105   14261.88  770.276   15130.11  771.514   325.192 8.8434  335.009 8.5980  -9.816132      12.33414 
1 1 1 1   -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -1  22 o 223.664 4.3399  6736.86   259.975   6831.23   367.544   6642.37   367.777   225.241 6.0922  222.088 6.1826  3.153351       8.679812 
1 1 1 1   -1  23 o 237.213 4.5526  7588.18   289.246   7502.46   408.748   7674.17   409.365   235.863 6.4700  238.563 6.4065  -2.699997      9.105170 
1 1 1 1   -1  24 f 99.462  2.3359  1328.24   62.145    1242.12   87.532    1415.78   88.245    96.203  3.3969  102.720 3.2073  -6.516808      4.671860 
1 1 1 1   -1  25 o 133.860 2.8598  2407.84   102.502   2328.99   144.659   2487.34   145.261   131.652 4.1023  136.067 3.9857  -4.414810      5.719698 
1 1 1 1   -1  26 o 76.223  2.1171  779.852   43.204    802.990   60.925    756.448   61.275    77.363  2.9402  75.083  3.0469  2.280472       4.234169 
1 1 1 1   -1  27 o 251.655 4.8660  8572.82   327.980   8480.99   463.642   8664.81   464.027   250.292 6.9159  253.017 6.8471  -2.724777      9.731965 
1 1 1 1   -1  28 o 78.014  2.1610  817.176   45.150    830.222   63.757    804.052   63.946    78.640  3.0269  77.387  3.0850  1.252960       4.321939 
1 1 1 1   -1  29 o 52.960  2.8149  413.789   34.469    303.623   61.892    463.321   41.500    47.168  4.9739  58.751  2.6372  -11.58325      5.629761 
1 1 1 1   -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -1  31 o 50.681  2.1193  347.349   28.306    343.830   43.325    349.970   37.389    50.422  3.2248  50.939  2.7505  -0.5167084     4.238531 
1 1 1 1   -1  32 o 60.546  2.1136  490.985   34.076    522.401   51.609    466.703   45.373    62.238  3.0959  58.854  2.8782  3.383587       4.227135 
1 1 1 1   -1  33 o 84.596  2.3208  963.933   52.380    1016.71   78.331    921.241   70.448    86.657  3.3747  82.536  3.1867  4.120430       4.641519 
1 1 1 1   -1  34 f 35.194  2.1343  162.524   19.533    208.448   31.409    133.558   24.944    39.121  3.0208  31.266  3.0160  7.855509       4.268646 
1 1 1 1   -1  35 o 74.414  2.2672  748.416   44.894    790.859   68.175    715.920   59.653    76.218  3.3395  72.610  3.0673  3.608505       4.534335 
1 1 1 1   -1  36 o 32.619  2.2829  138.365   19.114    188.127   31.697    109.929   23.961    37.014  3.2295  28.224  3.2276  8.790789       4.565868 
1 1 1 1   -1  37 o 46.827  2.1927  293.975   26.874    336.576   43.100    266.878   34.374    49.491  3.2698  44.163  2.9224  5.327370       4.385427 
1 1 1 1   -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   -1  39 o 43.893  2.4216  273.540   27.058    249.728   43.800    288.236   34.409    42.032  3.9363  45.754  2.8215  -3.721035      4.843112 
1 1 1 1   -1  40 o 43.281  2.3835  257.228   26.658    288.188   43.985    239.254   33.514    45.118  3.6715  41.444  3.0403  3.674103       4.766922 
1 1 1 1   -1  41 o 7.1213  2.3734  -15.5792  11.557    -37.2536  21.499    -6.7709   13.706    7.0394  3.4408  7.2032  3.2700  -0.1638670     4.746805 
1 1 1 1   -1  42 o 19.477  3.3074  66.940    17.761    30.139    31.175    84.626    21.612    14.803  5.6511  24.150  3.4381  -9.347657      6.614809 
1 1 1 1   -1  43 o 47.467  2.7195  337.398   32.211    311.563   53.979    351.684   40.140    45.213  4.5177  49.720  3.0286  -4.506500      5.438952 
1 1 1 1   -1  44 o 18.264  3.6602  56.567    18.317    47.014    33.623    60.599    21.842    16.764  5.9586  19.763  4.2523  -2.999016      7.320317 
1 1 1 1   -1  45 o 9.7933  3.1337  -3.3176   15.683    -0.2200   30.351    -4.4459   18.318    11.082  4.9625  8.5050  3.8282  2.576637       6.267447 
1 1 1 1   -1  46 o 11.055  3.1366  13.333    15.603    -24.9421  32.017    25.255    17.869    9.4560  4.5152  12.654  4.3550  -3.197698      6.273171 
1 1 1 1   0   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   0   1  o 271.974 16.748  13730.15  709.718   1203.81   988.696   27046.41  1019.39   95.312  32.403  448.636 8.4832  -353.3235      33.49524 
1 1 1 1   0   2  o 382.937 7.0882  19731.30  727.023   19681.77  1028.10   19780.85  1028.23   382.454 10.036  383.420 10.012  -0.9657898     14.17631 
1 1 1 1   0   3  o 622.305 11.586  52543.21  1929.27   55309.32  2730.79   49786.79  2726.00   638.864 15.958  605.746 16.801  33.11823       23.17243 
1 1 1 1   0   4  o 265.506 5.0132  9462.72   356.509   9529.26   504.146   9396.16   504.213   266.442 7.0642  264.570 7.1151  1.871643       10.02639 
1 1 1 1   0   5  o 158.517 3.1508  3368.24   133.776   3392.61   189.126   3343.84   189.249   159.091 4.4383  157.943 4.4735  1.148575       6.301615 
1 1 1 1   0   6  o 234.590 4.4375  7382.70   278.826   7426.97   394.258   7338.40   394.382   235.294 6.2558  233.885 6.2954  1.409653       8.875080 
1 1 1 1   0   7  o 289.182 5.4120  11226.23  419.190   11275.71  592.760   11176.74  592.887   289.821 7.6359  288.543 7.6714  1.277863       10.82391 
1 1 1 1   0   8  o 141.356 2.9230  2677.86   110.660   2634.70   156.368   2721.17   156.627   140.214 4.1636  142.498 4.1036  -2.283752      5.845957 
1 1 1 1   0   9  o 33.564  1.5546  151.571   13.892    145.815   19.598    157.385   19.696    32.918  2.2360  34.210  2.1606  -1.292072      3.109275 
1 1 1 1   0   10 o 566.208 10.454  43246.63  1585.46   43025.34  2241.91   43468.02  2242.47   564.749 14.821  567.667 14.748  -2.917847      20.90864 
1 1 1 1   0   11 o 138.315 4.0620  2564.01   150.409   2680.46   214.677   2451.75   210.796   141.400 5.6682  135.229 5.8197  6.170807       8.123908 
1 1 1 1   0   12 o 119.416 2.6098  1910.65   83.475    1921.96   117.925   1899.29   118.179   119.771 3.6759  119.062 3.7058  0.7087555      5.219670 
1 1 1 1   0   13 f 256.508 4.9456  8825.17   339.764   8949.38   480.427   8700.88   480.569   258.316 6.9436  254.699 7.0443  3.617111       9.891239 
1 1 1 1   0   14 o 316.030 5.8033  13402.26  491.223   13292.99  694.437   13511.68  694.952   314.738 8.2375  317.321 8.1765  -2.583069      11.60651 
1 1 1 1   0   15 o 523.087 9.6657  36866.63  1353.33   38436.68  1914.91   35299.88  1912.90   534.279 13.381  511.894 13.952  22.38528       19.33131 
1 1 1 1   0   16 o 557.408 10.350  41910.67  1545.24   42448.45  2185.49   41373.08  2185.11   561.009 14.544  553.807 14.731  7.202026       20.70095 
1 1 1 1   0   17 o 769.390 14.265  80594.31  2937.90   83886.72  4157.13   77309.20  4152.52   785.342 19.763  753.438 20.577  31.90350       28.53004 
1 1 1 1   0   18 o 345.810 6.4359  16085.90  596.109   15955.94  842.683   16216.07  843.369   344.407 9.1349  347.214 9.0684  -2.807159      12.87176 
1 1 1 1   0   19 o 72.794  1.9728  710.755   38.416    750.034   54.230    671.191   54.427    74.816  2.7062  70.772  2.8712  4.043900       3.945531 
1 1 1 1   0   20 o 150.193 3.0641  3026.93   123.257   2980.51   174.059   3073.62   174.566   149.037 4.3603  151.350 4.3061  -2.313461      6.128194 
1 1 1 1   0   21 o 143.208 4.2372  2757.74   162.482   2835.11   233.247   2684.80   226.471   145.157 5.9991  141.258 5.9856  3.898849       8.474488 
1 1 1 1   0   22 o 80.031  2.0772  858.890   44.522    841.845   62.747    876.171   63.182    79.231  2.9567  80.831  2.9183  -1.600563      4.154338 
1 1 1 1   0   23 o 209.279 4.1253  5900.37   231.242   5935.95   326.802   5864.69   327.250   209.916 5.8123  208.643 5.8558  1.272980       8.250679 
1 1 1 1   0   24 f 68.016  1.9967  620.532   36.342    585.761   51.057    656.238   51.739    66.083  2.8846  69.950  2.7615  -3.867172      3.993315 
1 1 1 1   0   25 o 145.815 3.0690  2858.51   119.852   2896.04   169.290   2820.80   169.705   146.779 4.3060  144.851 4.3740  1.927612       6.137918 
1 1 1 1   0   26 o 44.432  1.8918  265.857   22.400    269.647   31.337    261.897   32.030    44.762  2.6252  44.103  2.7248  0.6586838      3.783684 
1 1 1 1   0   27 o 213.377 4.2316  6149.58   241.847   6123.36   341.806   6175.86   342.240   212.918 5.9935  213.835 5.9754  -0.9163513     8.463242 
1 1 1 1   0   28 o 100.556 2.4020  1358.78   64.677    1317.44   91.266    1400.48   91.668    99.015  3.4413  102.097 3.3521  -3.081703      4.804048 
1 1 1 1   0   29 o 112.572 2.5661  1705.36   77.372    1687.79   109.254   1723.04   109.588   111.989 3.6423  113.156 3.6157  -1.167397      5.132248 
1 1 1 1   0   30 o 74.765  3.1610  765.276   62.283    700.834   92.819    818.058   84.003    71.780  4.8563  77.751  4.0477  -5.971031      6.321988 
1 1 1 1   0   31 o 59.216  1.9802  471.979   31.402    478.352   44.212    465.492   44.608    59.622  2.7685  58.809  2.8319  0.8133125      3.960350 
1 1 1 1   0   32 o 124.001 2.7483  2085.07   91.267    2126.76   129.032   2043.33   129.111   125.258 3.8460  122.745 3.9271  2.512939       5.496669 
1 1 1 1   0   33 o 71.130  2.0972  683.951   39.955    684.252   56.359    683.647   56.651    71.148  2.9574  71.112  2.9742  0.3520203E-01  4.194321 
1 1 1 1   0   34 o 33.861  2.5131  150.433   20.702    176.800   38.607    139.791   24.527    35.716  4.1106  32.005  2.8924  3.711884       5.026221 
1 1 1 1   0   35 o 47.186  2.1810  300.646   26.975    321.494   42.661    286.757   34.819    48.475  3.3053  45.897  2.8464  2.577896       4.362003 
1 1 1 1   0   36 o 34.943  2.4783  174.814   21.599    146.483   34.880    192.435   27.508    32.336  4.1208  37.549  2.7543  -5.212616      4.956533 
1 1 1 1   0   37 o 37.558  2.3339  195.621   22.470    191.431   36.428    198.195   28.547    37.078  3.7180  38.038  2.8221  -0.9596825     4.667756 
1 1 1 1   0   38 o 21.219  3.0577  67.670    16.039    57.056    27.152    73.359    19.877    19.598  5.1172  22.841  3.3484  -3.243696      6.115356 
1 1 1 1   0   39 o 8.3301  2.6745  -9.1518   11.799    -2.2187   21.583    -12.1070  14.091    9.8532  4.3082  6.8071  3.1704  3.046145       5.349037 
1 1 1 1   0   40 o 37.810  2.5116  200.732   24.265    211.291   40.185    194.673   30.440    38.327  3.9722  37.293  3.0748  1.033241       5.023183 
1 1 1 1   0   41 o 16.743  3.4516  41.205    15.555    50.169    27.815    37.126    18.763    17.832  5.3769  15.654  4.3294  2.178346       6.903257 
1 1 1 1   0   42 o 24.205  3.3312  100.581   19.319    63.882    33.388    119.054   23.688    19.552  5.8899  28.858  3.1138  -9.306442      6.662353 
1 1 1 1   0   43 o 18.540  3.4504  57.742    16.927    44.860    31.235    63.098    20.142    16.580  5.7549  20.501  3.8083  -3.920616      6.900849 
1 1 1 1   0   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   0   45 o 12.152  3.4711  18.391    16.498    10.434    32.540    21.143    19.140    12.196  5.3124  12.108  4.4689  0.8822060E-01  6.942144 
1 1 1 1   0   46 o 10.537  3.2754  7.0861    16.187    0.2762    33.179    9.2132    18.543    11.095  5.0564  9.9782  4.1647  1.116576       6.550725 
1 1 1 1   1   0  o 453.678 8.2223  28588.31  926.988   25360.94  1600.58   30217.23  1137.11   433.240 13.793  474.116 8.9542  -40.87585      16.44462 
1 1 1 1   1   1  o 346.791 6.4352  16169.97  597.675   15869.50  845.066   16470.70  845.414   343.556 9.1834  350.027 9.0173  -6.471771      12.87042 
1 1 1 1   1   2  o 265.401 5.0262  9455.96   357.270   9313.31   505.175   9598.71   505.336   263.394 7.1606  267.409 7.0553  -4.014496      10.05242 
1 1 1 1   1   3  o 430.558 7.9806  24972.50  920.354   24997.94  1301.56   24947.05  1301.59   430.779 11.280  430.338 11.292  0.4413452      15.96115 
1 1 1 1   1   4  o 172.143 3.4149  3972.86   157.446   3930.64   222.624   4015.11   222.701   171.227 4.8541  173.059 4.8044  -1.832001      6.829704 
1 1 1 1   1   5  f 177.431 3.4975  4222.23   166.113   4044.58   234.730   4400.45   235.108   173.687 5.0456  181.175 4.8448  -7.487747      6.995026 
1 1 1 1   1   6  o 248.485 4.7466  8284.67   315.909   8363.61   446.797   8205.75   446.728   249.671 6.6812  247.299 6.7442  2.371765       9.493279 
1 1 1 1   1   7  o 366.602 6.8566  18065.13  673.241   18280.23  952.161   17850.09  952.052   368.793 9.6392  364.412 9.7539  4.380341       13.71321 
1 1 1 1   1   8  o 202.870 3.9425  5520.76   214.058   5779.96   302.882   5262.09   302.565   207.635 5.4461  198.105 5.7021  9.530228       7.885036 
1 1 1 1   1   9  o 107.909 2.4078  1560.29   69.574    1515.41   98.278    1605.37   98.508    106.353 3.4500  109.465 3.3598  -3.112282      4.815639 
1 1 1 1   1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   1   11 f 397.150 7.3843  21204.93  784.960   20266.72  1109.23   22146.10  1110.97   388.318 10.665  405.983 10.217  -17.66519      14.76866 
1 1 1 1   1   12 o 195.954 3.8313  5147.86   201.042   5278.42   284.276   5017.23   284.357   198.442 5.3483  193.466 5.4874  4.976486       7.662667 
1 1 1 1   1   13 o 494.570 9.1157  32918.75  1207.49   32520.50  1707.16   33317.46  1708.14   491.562 12.966  497.577 12.817  -6.014740      18.23142 
1 1 1 1   1   14 o 168.050 3.3203  3784.78   149.444   3834.56   211.245   3734.91   211.447   169.157 4.6624  166.943 4.7287  2.213928       6.640697 
1 1 1 1   1   15 o 111.340 2.5260  1661.01   75.304    1604.86   106.186   1717.82   106.809   109.446 3.6223  113.234 3.5216  -3.787582      5.051981 
1 1 1 1   1   16 o 164.742 3.3467  3637.83   147.666   3681.36   208.725   3594.22   208.939   165.730 4.7020  163.755 4.7636  1.975067       6.693353 
1 1 1 1   1   17 o 339.852 6.3327  15528.57  576.230   16034.97  815.124   15022.71  814.699   345.411 8.8105  334.292 9.0988  11.11957       12.66537 
1 1 1 1   1   18 o 55.731  1.7986  416.308   26.835    430.540   37.882    401.972   38.020    56.688  2.4949  54.774  2.5915  1.913887       3.597259 
1 1 1 1   1   19 o 119.444 2.6681  1913.07   85.361    1908.96   120.579   1917.21   120.859   119.315 3.7730  119.573 3.7736  -0.2573013     5.336259 
1 1 1 1   1   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   1   21 o 80.902  2.1324  877.875   46.197    898.107   65.210    857.491   65.455    81.839  2.9749  79.964  3.0560  1.874718       4.264859 
1 1 1 1   1   22 f 184.386 3.6689  4573.67   181.171   4664.37   256.145   4482.88   256.284   186.223 5.1353  182.548 5.2415  3.675217       7.337866 
1 1 1 1   1   23 o 94.447  2.3076  1196.88   58.374    1178.77   82.301    1215.21   82.808    93.727  3.2783  95.166  3.2486  -1.439255      4.615286 
1 1 1 1   1   24 o 211.745 4.2224  6046.09   239.473   6016.44   338.424   6075.82   338.910   211.223 5.9818  212.268 5.9609  -1.044754      8.444763 
1 1 1 1   1   25 o 67.809  2.0869  618.154   37.795    670.876   53.379    565.152   53.521    70.720  2.8180  64.899  3.0789  5.821251       4.173831 
1 1 1 1   1   26 o 125.789 2.7702  2126.86   93.303    2186.22   131.744   2067.12   132.159   127.557 3.8560  124.021 3.9784  3.536171       5.540455 
1 1 1 1   1   27 o 97.336  2.2946  1272.26   59.819    1251.67   84.397    1293.05   84.798    96.543  3.2637  98.129  3.2262  -1.585899      4.589183 
1 1 1 1   1   28 o 52.626  1.9548  373.054   27.441    384.535   38.592    361.313   39.026    53.454  2.7042  51.799  2.8235  1.655125       3.909603 
1 1 1 1   1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   1   30 o 66.644  2.0540  597.483   36.663    593.228   51.606    601.819   52.096    66.405  2.9014  66.883  2.9081  -0.4784241     4.107931 
1 1 1 1   1   31 o 69.430  2.0679  649.527   38.453    652.297   54.109    646.700   54.656    69.582  2.9032  69.277  2.9455  0.3051682      4.135801 
1 1 1 1   1   32 o 26.494  2.0824  96.622    14.366    109.839   20.137    82.925    20.500    28.420  2.6769  24.567  3.1906  3.852707       4.164803 
1 1 1 1   1   33 o 84.739  2.2633  973.316   51.371    969.577   72.487    977.088   72.814    84.576  3.1998  84.902  3.2019  -0.3263092     4.526679 
1 1 1 1   1   34 o 58.854  1.9925  469.248   31.394    451.166   44.296    487.499   44.502    57.703  2.8660  60.005  2.7689  -2.301704      3.985017 
1 1 1 1   1   35 o 48.015  1.9664  313.792   25.176    316.538   35.327    310.958   35.888    48.239  2.7455  47.791  2.8160  0.4476547      3.932897 
1 1 1 1   1   36 o 35.344  2.0359  171.735   19.008    188.431   26.706    154.591   27.061    37.149  2.7025  33.539  3.0456  3.609833       4.071717 
1 1 1 1   1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   1   38 o 20.568  3.1007  63.510    15.765    55.831    27.327    67.340    19.301    19.319  5.1763  21.816  3.4150  -2.496649      6.201360 
1 1 1 1   1   39 o 9.4935  2.7738  1.9405    12.582    -21.7320  21.724    13.891    15.435    8.1193  3.8305  10.868  4.0128  -2.748373      5.547506 
1 1 1 1   1   40 o 24.157  3.2006  92.350    18.607    72.211    31.823    102.812   22.936    21.406  5.5159  26.909  3.2480  -5.502523      6.401172 
1 1 1 1   1   41 o 21.128  3.3063  79.449    17.978    38.867    32.123    97.959    21.694    16.067  5.8109  26.190  3.1562  -10.12304      6.612669 
1 1 1 1   1   42 o 14.607  3.4826  28.002    15.499    48.497    27.635    18.597    18.721    17.298  5.3869  11.916  4.4154  5.382408       6.965248 
1 1 1 1   1   43 o 27.106  3.2615  111.135   21.386    123.180   38.106    105.598   25.838    27.525  5.3615  26.687  3.7155  0.8371811      6.523048 
1 1 1 1   1   44 o 14.742  3.5245  36.196    17.215    16.115    32.420    44.082    20.316    12.888  5.4504  16.597  4.4702  -3.708864      7.049052 
1 1 1 1   1   45 o 20.939  3.7851  73.395    20.062    87.815    36.485    67.145    24.018    21.642  6.0557  20.235  4.5428  1.407488       7.570275 
1 1 1 1   2   0  o 267.181 5.0414  9583.69   360.727   9379.34   509.898   9788.45   510.392   264.323 7.2021  270.039 7.0565  -5.716095      10.08287 
1 1 1 1   2   1  o 442.320 8.1643  26364.13  967.210   26674.96  1368.10   26053.53  1367.58   444.942 11.480  439.698 11.612  5.244202       16.32852 
1 1 1 1   2   2  o 501.733 9.2620  33990.20  1243.92   35399.08  1760.29   32584.90  1758.05   512.201 12.831  491.265 13.361  20.93567       18.52392 
1 1 1 1   2   3  o 426.140 7.8616  24454.95  897.297   24207.29  1268.82   24702.72  1269.12   423.970 11.173  428.310 11.063  -4.339966      15.72320 
1 1 1 1   2   4  o 122.818 2.6356  2021.43   86.697    2046.02   122.598   1996.83   122.619   123.565 3.7042  122.070 3.7503  1.495331       5.271209 
1 1 1 1   2   5  f 314.015 5.8586  13243.24  492.749   13147.43  696.740   13339.11  696.965   312.876 8.3140  315.154 8.2566  -2.278625      11.71722 
1 1 1 1   2   6  o 178.053 3.4918  4250.16   166.503   4335.80   235.571   4164.67   235.371   179.847 4.8902  176.259 4.9855  3.587967       6.983549 
1 1 1 1   2   7  o 339.155 6.2934  15449.22  571.693   15343.10  808.387   15555.39  808.604   337.987 8.9296  340.324 8.8706  -2.336639      12.58670 
1 1 1 1   2   8  o 147.307 3.0282  2908.22   119.456   2836.51   168.831   2980.10   169.041   145.487 4.3325  149.126 4.2320  -3.639145      6.056454 
1 1 1 1   2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   2   10 f 327.039 6.0670  14357.49  531.418   14529.62  751.574   14185.40  751.504   329.004 8.5287  325.075 8.6310  3.929504       12.13391 
1 1 1 1   2   11 o 305.005 5.7029  12485.29  465.783   12808.65  658.883   12162.27  658.551   308.961 7.9619  301.049 8.1670  7.911835       11.40577 
1 1 1 1   2   12 o 148.782 3.0549  2966.77   121.694   2869.25   171.902   3064.75   172.300   146.329 4.3859  151.235 4.2535  -4.905548      6.109704 
1 1 1 1   2   13 o 312.850 5.8480  13136.78  489.862   13548.08  692.955   12725.91  692.584   317.756 8.1418  307.944 8.3967  9.811279       11.69593 
1 1 1 1   2   14 o 153.280 3.1511  3148.54   129.363   3180.95   182.801   3116.03   183.092   154.071 4.4296  152.489 4.4827  1.581558       6.302112 
1 1 1 1   2   15 o 263.118 4.9849  9287.89   351.283   9423.37   496.694   9152.31   496.885   265.041 6.9966  261.195 7.1023  3.846375       9.969732 
1 1 1 1   2   16 o 238.533 4.5020  7632.70   287.638   7624.38   406.578   7641.04   406.985   238.403 6.3671  238.663 6.3666  -0.2604828     9.004080 
1 1 1 1   2   17 f 137.587 2.8886  2537.58   106.452   2538.41   150.350   2536.75   150.744   137.610 4.0791  137.565 4.0911  0.4551697E-01  5.777222 
1 1 1 1   2   18 o 57.463  1.8098  442.474   27.853    446.049   39.267    438.853   39.514    57.697  2.5409  57.229  2.5778  0.4677582      3.619558 
1 1 1 1   2   19 f 58.513  2.8431  475.623   42.780    580.429   58.630    356.293   62.561    65.710  3.3422  51.317  4.6003  14.39247       5.686221 
1 1 1 1   2   20 f 211.730 4.1559  6031.24   235.682   6079.96   333.187   5982.45   333.424   212.590 5.8514  210.870 5.9033  1.720001       8.311871 
1 1 1 1   2   21 o 99.976  2.3441  1340.85   62.771    1331.88   88.630    1349.89   88.915    99.640  3.3209  100.312 3.3093  -0.6721268     4.688245 
1 1 1 1   2   22 o 84.322  2.1646  953.748   48.888    948.260   68.956    959.295   69.322    84.078  3.0620  84.566  3.0604  -0.4878998     4.329202 
1 1 1 1   2   23 o 52.444  1.8899  369.514   26.485    380.979   37.326    357.891   37.585    53.302  2.6145  51.587  2.7298  1.715244       3.779852 
1 1 1 1   2   24 o 82.959  2.1972  923.459   48.811    895.932   68.782    951.384   69.278    81.712  3.1427  84.206  3.0716  -2.494385      4.394451 
1 1 1 1   2   25 o 144.411 3.0711  2803.95   118.788   2814.78   167.824   2793.07   168.161   144.692 4.3303  144.129 4.3559  0.5625305      6.142149 
1 1 1 1   2   26 o 154.942 3.2540  3231.17   135.044   3214.20   190.758   3248.22   191.206   154.533 4.6086  155.351 4.5951  -0.8179932     6.508065 
1 1 1 1   2   27 o 147.975 3.1088  2948.74   123.202   2892.42   173.951   3005.42   174.517   146.551 4.4315  149.400 4.3611  -2.848465      6.217515 
1 1 1 1   2   28 o 125.282 2.7776  2113.95   93.207    2110.60   131.541   2117.32   132.090   125.184 3.9231  125.381 3.9332  -0.1972122     5.555237 
1 1 1 1   2   29 o 143.762 3.0521  2792.39   117.524   2793.09   166.020   2791.69   166.389   143.782 4.3109  143.742 4.3217  0.3933716E-01  6.104147 
1 1 1 1   2   30 o 128.462 2.8371  2232.21   97.613    2196.43   137.794   2268.24   138.299   127.421 4.0374  129.503 3.9870  -2.082146      5.674257 
1 1 1 1   2   31 o 30.442  1.9851  126.001   15.959    115.010   22.375    137.385   22.771    29.061  2.9137  31.822  2.6969  -2.760771      3.970238 
1 1 1 1   2   32 o 44.345  1.9178  266.140   22.636    246.891   31.535    286.601   32.512    42.675  2.7739  46.015  2.6491  -3.340435      3.835664 
1 1 1 1   2   33 o 43.242  1.9517  254.565   22.417    273.090   31.438    235.402   31.975    44.881  2.6266  41.603  2.8873  3.277687       3.903306 
1 1 1 1   2   34 o 50.540  1.9838  347.505   26.722    363.191   37.673    331.622   37.910    51.712  2.7296  49.368  2.8795  2.344231       3.967606 
1 1 1 1   2   35 o 69.050  2.1391  649.390   39.539    671.151   55.700    627.288   56.135    70.241  2.9606  67.860  3.0884  2.380440       4.278239 
1 1 1 1   2   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   2   37 o 37.095  2.0699  189.561   20.397    186.725   28.845    192.397   28.845    36.807  2.9506  37.382  2.9036  -0.5747108     4.139705 
1 1 1 1   2   38 o 25.939  2.3694  95.135    15.984    103.587   22.369    86.316    22.849    27.220  3.1248  24.659  3.5627  2.560158       4.738882 
1 1 1 1   2   39 o 19.679  2.6604  57.153    13.417    38.538    18.769    76.608    19.188    16.090  4.2804  23.267  3.1607  -7.177193      5.320847 
1 1 1 1   2   40 o 23.180  2.6416  79.614    15.483    99.238    21.816    59.702    21.976    26.427  3.1438  19.934  4.2460  6.493385       5.283171 
1 1 1 1   2   41 o 13.659  3.2397  18.833    13.628    49.939    25.922    6.9496    16.022    17.707  5.1538  9.6122  3.9272  8.094386       6.479492 
1 1 1 1   2   42 o 25.719  3.3985  103.688   20.766    102.184   37.650    104.345   24.895    24.761  5.7817  26.678  3.5737  -1.916861      6.797056 
1 1 1 1   2   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   2   44 o 24.531  3.7213  109.351   22.327    80.367    40.307    122.180   26.816    20.499  6.5226  28.562  3.5843  -8.062235      7.442521 
1 1 1 1   2   45 o 14.812  3.7570  34.554    17.303    52.327    33.237    27.947    20.265    16.518  5.9186  13.105  4.6294  3.413006       7.514069 
1 1 1 1   3   0  o 434.926 8.0398  25482.51  936.561   25716.92  1324.56   25248.14  1324.43   436.937 11.318  432.914 11.422  4.023834       16.07962 
1 1 1 1   3   1  o 380.898 7.0359  19516.50  717.817   19443.02  1015.12   19589.99  1015.17   380.177 9.9688  381.618 9.9317  -1.440552      14.07178 
1 1 1 1   3   2  o 285.343 5.3404  10934.93  407.942   11355.49  577.320   10515.53  576.515   290.838 7.4110  279.849 7.6913  10.98907       10.68075 
1 1 1 1   3   3  o 254.943 4.8271  8722.06   329.605   8618.55   466.091   8825.61   466.173   253.427 6.8664  256.459 6.7864  -3.032028      9.654152 
1 1 1 1   3   4  o 159.417 3.2073  3406.52   136.941   3452.77   193.702   3360.31   193.627   160.500 4.5058  158.335 4.5656  2.165253       6.414592 
1 1 1 1   3   5  o 123.815 2.6311  2054.42   87.238    2104.73   123.439   2004.22   123.308   125.330 3.6771  122.300 3.7642  3.030472       5.262208 
1 1 1 1   3   6  o 180.361 3.5299  4360.58   170.520   4308.11   241.072   4413.13   241.230   179.274 5.0204  181.448 4.9635  -2.173798      7.059843 
1 1 1 1   3   7  o 207.680 3.9984  5782.62   222.410   5723.77   314.420   5841.57   314.651   206.621 5.6813  208.738 5.6278  -2.117538      7.996813 
1 1 1 1   3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   3   9  o 776.320 14.298  81757.73  2972.34   79762.98  4201.95   83755.47  4205.10   766.723 20.461  785.916 19.976  -19.19312      28.59530 
1 1 1 1   3   10 o 274.692 5.1725  10121.82  380.569   10068.35  538.102   10175.32  538.309   273.965 7.3330  275.419 7.2971  -1.453735      10.34504 
1 1 1 1   3   11 o 213.467 4.0916  6108.85   233.934   6032.18   330.669   6185.68   330.997   212.125 5.8199  214.809 5.7528  -2.684448      8.183275 
1 1 1 1   3   12 o 92.979  2.2577  1158.69   56.183    1210.68   79.457    1106.71   79.452    95.066  3.1204  90.891  3.2636  4.174568       4.515322 
1 1 1 1   3   13 o 197.665 3.8976  5238.88   206.256   5429.23   291.809   5048.84   291.571   201.257 5.4132  194.073 5.6091  7.184555       7.795180 
1 1 1 1   3   14 o 268.219 5.0396  9650.87   362.037   9531.61   511.778   9770.33   512.217   266.558 7.1681  269.880 7.0859  -3.322449      10.07923 
1 1 1 1   3   15 o 213.907 4.0858  6136.50   234.042   5978.37   330.715   6295.15   331.257   211.143 5.8478  216.671 5.7079  -5.528580      8.171666 
1 1 1 1   3   16 o 243.985 4.6505  7990.23   303.889   8110.90   429.734   7869.51   429.794   245.832 6.5264  242.138 6.6269  3.693787       9.301027 
1 1 1 1   3   17 o 304.490 5.6796  12475.32  463.056   12086.23  654.356   12865.62  655.366   299.713 8.1511  309.267 7.9115  -9.554230      11.35929 
1 1 1 1   3   18 o 132.777 2.8436  2364.79   101.129   2381.30   142.898   2348.24   143.139   133.242 4.0040  132.312 4.0389  0.9299774      5.687284 
1 1 1 1   3   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   3   20 o 105.932 2.4460  1505.46   69.401    1503.81   97.929    1507.11   98.368    105.874 3.4533  105.989 3.4650  -0.1155090     4.891978 
1 1 1 1   3   21 o 153.184 3.1176  3152.70   127.903   3096.52   180.605   3209.22   181.161   151.811 4.4416  154.557 4.3761  -2.745087      6.235202 
1 1 1 1   3   22 o 248.082 4.7730  8310.97   317.093   8505.19   448.414   8116.71   448.461   251.005 6.6697  245.159 6.8295  5.846527       9.546040 
1 1 1 1   3   23 o 157.521 3.2505  3337.29   137.071   3205.16   193.476   3470.45   194.222   154.379 4.6790  160.664 4.5133  -6.285095      6.500950 
1 1 1 1   3   24 o 327.310 6.3511  14580.94  556.715   14285.32  786.848   14877.26  787.780   323.938 9.0686  330.683 8.8941  -6.745728      12.70217 
1 1 1 1   3   25 f 291.701 5.6262  11562.25  439.132   12165.82  621.365   10959.99  620.688   299.415 7.7479  283.986 8.1599  15.42883       11.25231 
1 1 1 1   3   26 o 81.290  2.1922  887.744   47.696    924.227   67.294    850.915   67.612    82.974  3.0280  79.606  3.1710  3.367996       4.384460 
1 1 1 1   3   27 o 137.855 2.9789  2560.07   109.976   2502.99   155.244   2617.57   155.817   136.305 4.2522  139.405 4.1730  -3.100235      5.957768 
1 1 1 1   3   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   3   29 o 165.191 3.4319  3702.18   151.841   3665.31   214.525   3739.18   214.949   164.358 4.8730  166.023 4.8337  -1.665176      6.863708 
1 1 1 1   3   30 o 86.337  2.2546  1005.71   52.136    1014.59   73.633    996.771   73.831    86.723  3.1699  85.951  3.2070  0.7724228      4.509248 
1 1 1 1   3   31 o 39.933  1.9154  215.922   20.361    209.980   28.477    222.136   29.124    39.367  2.7173  40.499  2.7003  -1.131470      3.830861 
1 1 1 1   3   32 o 56.143  1.9806  426.774   29.718    434.279   41.680    419.013   42.383    56.691  2.7449  55.595  2.8559  1.096592       3.961101 
1 1 1 1   3   33 o 18.684  2.4515  49.071    11.807    51.745    16.564    46.310    16.833    19.241  3.3348  18.126  3.5941  1.115549       4.902923 
1 1 1 1   3   34 o 40.218  1.9583  220.370   20.963    220.703   29.408    220.026   29.891    40.256  2.7438  40.181  2.7948  0.7453156E-01  3.916534 
1 1 1 1   3   35 o 61.963  2.0639  522.734   34.240    503.520   48.132    542.420   48.719    60.797  2.9557  63.128  2.8813  -2.331303      4.127729 
1 1 1 1   3   36 o 50.150  3.8319  350.444   51.082    0.0000    0.0000    350.444   51.082    ?       ?       50.150  3.8319  ?              ?        
1 1 1 1   3   37 o 19.864  2.6538  56.682    13.595    60.431    19.230    52.937    19.223    20.578  3.6211  19.150  3.8806  1.428062       5.307647 
1 1 1 1   3   38 o 27.382  2.3635  106.701   16.740    122.007   23.410    90.685    23.947    29.568  2.9973  25.196  3.6551  4.372423       4.726909 
1 1 1 1   3   39 o 8.3989  2.5468  0.6718    10.249    1.6802    14.018    -0.4865   15.024    8.4180  3.5733  8.3797  3.6298  0.3822613E-01  5.093526 
1 1 1 1   3   40 o 32.369  2.2199  149.384   18.897    162.173   26.393    135.932   27.068    33.922  2.9337  30.815  3.3325  3.106663       4.439844 
1 1 1 1   3   41 o 18.759  2.9347  53.805    14.577    36.859    20.253    72.020    20.997    15.429  4.5737  22.088  3.6785  -6.658597      5.869402 
1 1 1 1   3   42 o 21.294  2.8976  69.391    16.139    31.422    21.811    115.328   23.991    14.329  4.8131  28.258  3.2276  -13.92912      5.795106 
1 1 1 1   3   43 o 18.348  3.2611  64.924    19.161    4.0786    36.155    88.687    22.594    12.285  5.4648  24.411  3.5604  -12.12572      6.522287 
1 1 1 1   3   44 o 17.368  3.8430  53.138    18.995    52.600    35.971    53.346    22.368    16.802  6.1380  17.934  4.6260  -1.132563      7.686013 
1 1 1 1   4   0  o 459.247 8.4692  28421.77  1041.78   28562.13  1473.29   28281.40  1473.30   460.388 11.947  458.106 12.007  2.282257       16.93843 
1 1 1 1   4   1  o 97.158  2.2547  1264.78   58.674    1274.52   82.977    1255.03   82.977    97.533  3.1763  96.784  3.2009  0.7492065      4.509356 
1 1 1 1   4   2  o 81.733  2.0221  895.117   44.254    922.792   62.641    867.541   62.530    82.995  2.8178  80.471  2.9011  2.523720       4.044298 
1 1 1 1   4   3  o 104.767 2.3396  1470.60   65.653    1469.35   92.950    1471.84   92.744    104.722 3.3138  104.811 3.3036  -0.8872223E-01 4.679204 
1 1 1 1   4   4  o 299.382 5.5958  12034.04  448.590   11687.72  634.169   12380.87  634.635   295.060 8.0243  303.704 7.8016  -8.643463      11.19169 
1 1 1 1   4   5  o 61.751  1.7982  510.827   29.739    518.392   42.066    503.269   42.049    62.209  2.5246  61.294  2.5612  0.9143105      3.596302 
1 1 1 1   4   6  f 356.618 6.6295  17083.43  633.162   17411.67  895.701   16755.58  895.152   360.052 9.2877  353.184 9.4625  6.867981       13.25899 
1 1 1 1   4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   4   8  o 257.500 4.8896  8893.23   337.237   8853.21   476.842   8933.29   477.008   256.919 6.9293  258.080 6.9005  -1.161011      9.779167 
1 1 1 1   4   9  o 586.024 10.752  46318.76  1687.44   47351.83  2387.15   45286.97  2385.66   592.601 15.039  579.448 15.371  13.15234       21.50468 
1 1 1 1   4   10 o 323.426 6.0352  14038.94  522.814   14123.15  739.370   13954.72  739.371   324.398 8.5093  322.454 8.5606  1.944305       12.07032 
1 1 1 1   4   11 o 160.921 3.2148  3470.11   138.564   3444.62   195.842   3495.66   196.078   160.329 4.5604  161.513 4.5324  -1.183868      6.429643 
1 1 1 1   4   12 o 169.992 3.4342  3872.82   156.358   3910.89   221.055   3834.71   221.193   170.829 4.8311  169.156 4.8820  1.673019       6.868315 
1 1 1 1   4   13 o 319.525 5.9277  13703.65  507.321   13696.92  717.319   13710.40  717.601   319.447 8.3835  319.604 8.3827  -0.1572266     11.85546 
1 1 1 1   4   14 o 256.885 4.9094  8855.31   337.686   9124.70   477.695   8586.22   477.426   260.798 6.8384  252.972 7.0460  7.825867       9.818891 
1 1 1 1   4   15 o 238.318 4.5845  7621.36   292.641   7594.43   413.741   7648.32   413.974   237.896 6.4931  238.740 6.4738  -0.8439941     9.169006 
1 1 1 1   4   16 o 347.313 6.4890  16244.43  603.609   16007.11  853.346   16482.06  853.919   344.761 9.2410  349.865 9.1123  -5.104187      12.97804 
1 1 1 1   4   17 o 116.804 2.5423  1830.07   79.481    1909.96   112.442   1750.29   112.364   119.355 3.5172  114.252 3.6718  5.103508       5.084540 
1 1 1 1   4   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   4   19 o 69.437  1.9398  646.491   36.057    619.363   50.820    673.990   51.167    67.968  2.7915  70.905  2.6942  -2.936699      3.879572 
1 1 1 1   4   20 o 115.284 2.5802  1784.56   79.614    1862.40   112.549   1706.60   112.633   117.807 3.5668  112.761 3.7292  5.045486       5.160351 
1 1 1 1   4   21 o 185.158 3.6550  4612.88   181.248   4530.29   256.025   4695.86   256.624   183.490 5.2093  186.826 5.1283  -3.336548      7.310011 
1 1 1 1   4   22 o 161.980 3.3003  3528.11   143.182   3483.36   202.215   3573.10   202.765   160.947 4.6907  163.014 4.6439  -2.066711      6.600651 
1 1 1 1   4   23 o 81.282  2.1965  886.594   47.814    901.801   67.488    871.268   67.751    81.984  3.0733  80.581  3.1391  1.403046       4.393077 
1 1 1 1   4   24 o 107.124 2.4975  1541.82   71.552    1437.77   100.780   1647.58   101.606   103.469 3.6364  110.779 3.4243  -7.309868      4.994939 
1 1 1 1   4   25 o 84.974  2.2163  969.683   50.392    914.624   70.986    1025.61   71.547    82.537  3.2109  87.412  3.0558  -4.874939      4.432648 
1 1 1 1   4   26 o 81.252  2.1848  886.820   47.541    900.912   67.052    872.574   67.415    81.904  3.0565  80.600  3.1227  1.303337       4.369589 
1 1 1 1   4   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   4   28 o 92.603  2.3437  1155.31   58.091    1203.94   82.114    1106.59   82.192    94.566  3.2419  90.641  3.3855  3.925179       4.687342 
1 1 1 1   4   29 o 25.550  2.0340  88.914    13.637    80.799    18.967    97.600    19.622    24.314  2.9744  26.787  2.7751  -2.472750      4.067968 
1 1 1 1   4   30 o 62.198  2.0157  521.806   33.574    531.823   47.368    511.694   47.594    62.803  2.8159  61.593  2.8849  1.210281       4.031373 
1 1 1 1   4   31 o 47.326  1.9606  303.829   24.707    320.534   34.816    286.882   35.066    48.660  2.6817  45.992  2.8607  2.667858       3.921104 
1 1 1 1   4   32 o 78.984  2.1863  845.992   46.246    827.630   65.136    864.658   65.671    78.113  3.1132  79.855  3.0703  -1.742111      4.372529 
1 1 1 1   4   33 o 44.098  1.9731  264.454   23.171    252.212   32.442    277.203   33.107    43.043  2.8297  45.153  2.7506  -2.110149      3.946254 
1 1 1 1   4   34 o 95.528  2.4273  1248.20   62.105    1235.77   87.636    1260.74   88.026    95.045  3.4424  96.012  3.4229  -0.9671707     4.854558 
1 1 1 1   4   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   4   36 o 19.911  2.6290  56.639    13.487    50.253    18.822    63.377    19.335    18.679  3.8886  21.144  3.5391  -2.465366      5.257955 
1 1 1 1   4   37 o 9.0089  2.6220  1.9100    10.549    -6.0153   14.254    11.508    15.686    7.5181  3.3811  10.500  4.0085  -2.981755      5.244038 
1 1 1 1   4   38 o 27.814  2.3372  109.476   17.068    108.900   23.886    110.076   24.398    27.751  3.2767  27.877  3.3336  -0.1260109     4.674343 
1 1 1 1   4   39 o 12.930  2.6637  19.276    11.767    -1.9699   15.849    45.373    17.565    8.3794  3.6770  17.481  3.8550  -9.101901      5.327426 
1 1 1 1   4   40 o 13.230  2.9050  25.310    12.325    37.890    16.895    10.999    18.021    15.835  3.9862  10.626  4.2267  5.209169       5.809907 
1 1 1 1   4   41 o 8.9260  2.6115  3.4634    10.515    -3.8657   14.752    11.032    14.992    7.7863  3.4752  10.066  3.8990  -2.279377      5.222960 
1 1 1 1   4   42 o 31.983  2.4393  149.389   20.554    155.498   29.609    143.708   28.555    32.626  3.4402  31.340  3.4593  1.285618       4.878673 
1 1 1 1   4   43 o 30.097  2.5487  136.806   19.785    156.587   27.538    115.701   28.445    32.729  3.1815  27.466  3.9826  5.263044       5.097380 
1 1 1 1   5   0  o 258.125 4.8717  8940.26   336.822   8933.84   476.166   8946.68   476.509   258.032 6.8896  258.217 6.8896  -0.1852722     9.743420 
1 1 1 1   5   1  o 269.673 5.0656  9759.58   365.864   9600.01   517.279   9919.32   517.541   267.463 7.2206  271.884 7.1068  -4.420471      10.13128 
1 1 1 1   5   2  o 211.621 4.0760  6005.13   231.037   6028.85   326.787   5981.43   326.685   212.040 5.7538  211.203 5.7748  0.8365021      8.152027 
1 1 1 1   5   3  o 96.536  2.2490  1248.51   58.153    1251.17   82.333    1245.85   82.149    96.639  3.1808  96.433  3.1804  0.2058868      4.498073 
1 1 1 1   5   4  o 216.077 4.1768  6260.72   241.703   6384.21   342.059   6137.56   341.580   218.208 5.8525  213.946 5.9607  4.261337       8.353566 
1 1 1 1   5   5  o 218.354 4.2269  6392.79   247.207   6352.11   349.612   6433.46   349.595   217.658 5.9968  219.049 5.9585  -1.390961      8.453712 
1 1 1 1   5   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   5   7  o 299.364 5.5967  12025.29  448.771   12025.43  634.654   12025.16  634.662   299.366 7.9149  299.363 7.9151  0.3417969E-02  11.19350 
1 1 1 1   5   8  o 752.436 13.832  76690.41  2787.51   77729.97  3942.83   75651.59  3941.44   757.591 19.431  747.282 19.692  10.30945       27.66412 
1 1 1 1   5   9  o 268.694 5.0837  9683.43   365.866   9612.35   517.310   9754.57   517.516   267.706 7.2145  269.682 7.1644  -1.976013      10.16748 
1 1 1 1   5   10 o 667.347 12.298  60154.07  2198.08   59584.38  3108.06   60724.13  3109.07   664.160 17.471  670.534 17.311  -6.374451      24.59506 
1 1 1 1   5   11 o 147.945 3.0041  2932.82   119.043   2936.65   168.264   2928.98   168.441   148.041 4.2434  147.848 4.2535  0.1935577      6.008236 
1 1 1 1   5   12 o 112.385 2.5110  1692.59   75.547    1626.48   106.635   1759.20   107.046   110.181 3.6133  114.590 3.4877  -4.408653      5.021928 
1 1 1 1   5   13 o 195.092 3.8209  5102.92   199.649   5165.98   282.270   5039.79   282.422   196.299 5.3685  193.885 5.4383  2.414886       7.641781 
1 1 1 1   5   14 o 259.425 4.9270  9033.64   342.340   8916.08   483.909   9151.42   484.375   257.732 7.0098  261.118 6.9256  -3.386261      9.853982 
1 1 1 1   5   15 o 302.445 5.7610  12301.72  466.695   12360.77  659.922   12242.64  660.090   303.175 8.1266  301.716 8.1680  1.458527       11.52208 
1 1 1 1   5   16 o 287.626 5.4412  11136.16  419.154   10957.48  592.472   11315.20  593.074   285.306 7.7530  289.947 7.6366  -4.641785      10.88240 
1 1 1 1   5   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   5   18 o 179.893 3.5609  4348.84   171.578   4342.40   242.524   4355.30   242.771   179.760 5.0370  180.027 5.0347  -0.2671509     7.121747 
1 1 1 1   5   19 o 79.576  2.0836  849.591   44.378    886.187   62.743    812.955   62.777    81.294  2.8815  77.858  3.0103  3.435913       4.167140 
1 1 1 1   5   20 o 99.569  2.3549  1331.17   62.741    1399.36   88.678    1262.81   88.780    102.129 3.2417  97.009  3.4168  5.120148       4.709888 
1 1 1 1   5   21 o 95.869  2.3979  1234.58   61.490    1307.68   86.930    1161.38   86.990    98.718  3.2877  93.020  3.4914  5.697594       4.795711 
1 1 1 1   5   22 o 110.019 2.5854  1625.30   76.183    1642.31   107.495   1608.14   107.984   110.600 3.6287  109.439 3.6838  1.161026       5.170855 
1 1 1 1   5   23 f 156.856 3.2928  3309.83   138.330   3359.24   195.441   3260.23   195.815   158.035 4.6172  155.677 4.6961  2.357834       6.585671 
1 1 1 1   5   24 o 101.114 2.3971  1372.84   64.920    1363.62   91.547    1382.16   92.077    100.772 3.3917  101.455 3.3884  -0.6826782     4.794204 
1 1 1 1   5   25 o 150.157 3.1565  3036.45   126.940   2983.59   179.171   3089.72   179.872   148.839 4.4943  151.475 4.4334  -2.635406      6.312947 
1 1 1 1   5   26 o 146.268 4.4414  2907.93   173.742   2948.32   240.251   2863.65   251.554   147.397 6.0854  145.140 6.4707  2.256531       8.882711 
1 1 1 1   5   27 o 42.116  1.9711  239.147   22.087    224.585   30.702    254.769   31.799    40.779  2.8284  43.454  2.7462  -2.675896      3.942242 
1 1 1 1   5   28 o 35.523  1.9171  170.765   18.060    156.476   25.314    185.578   25.773    33.987  2.8058  37.058  2.6133  -3.070702      3.834281 
1 1 1 1   5   29 o 102.499 2.4748  1420.78   67.913    1366.68   95.771    1475.51   96.318    100.520 3.5571  104.479 3.4418  -3.958542      4.949636 
1 1 1 1   5   30 o 37.288  1.9154  188.491   18.996    184.173   26.619    192.973   27.117    36.849  2.7161  37.727  2.7014  -0.8772736     3.830751 
1 1 1 1   5   31 o 114.430 2.6689  1784.46   81.801    1766.39   115.424   1802.70   115.946   113.842 3.7853  115.018 3.7636  -1.175720      5.337888 
1 1 1 1   5   32 o 18.229  2.5922  47.705    12.192    58.945    16.993    35.781    17.502    20.599  3.1825  15.859  4.0927  4.739784       5.184410 
1 1 1 1   5   33 o 44.370  1.9913  268.106   23.528    255.416   32.945    281.316   33.611    43.283  2.8578  45.456  2.7739  -2.172928      3.982615 
1 1 1 1   5   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   5   35 o 14.491  2.8510  30.179    11.499    32.624    16.032    27.589    16.501    15.048  3.9335  13.934  4.1279  1.113924       5.701940 
1 1 1 1   5   36 f 20.431  2.7009  60.478    14.134    76.955    20.247    44.816    19.740    23.372  3.3282  17.489  4.2547  5.883366       5.401765 
1 1 1 1   5   37 o 14.949  2.6148  30.317    12.532    1.9686    17.504    60.124    17.949    9.3787  3.9874  20.520  3.3837  -11.14092      5.229616 
1 1 1 1   5   38 o 13.677  2.9006  27.103    11.734    35.084    16.797    19.496    16.399    15.348  4.0333  12.007  4.1698  3.340318       5.801240 
1 1 1 1   5   39 o 35.967  2.1660  183.001   20.624    169.376   28.965    197.013   29.373    34.536  3.1664  37.398  2.9564  -2.862354      4.332042 
1 1 1 1   5   40 o 7.5401  2.4122  -6.4575   10.420    -3.2119   15.401    -9.1976   14.151    8.0552  3.5756  7.0250  3.2388  1.030211       4.824433 
1 1 1 1   5   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   5   42 o 8.1754  2.5743  -3.7634   11.378    -8.2408   15.281    1.8071    17.044    7.3772  3.3881  8.9735  3.8766  -1.596327      5.148546 
1 1 1 1   5   43 o 27.807  2.6707  119.173   19.210    130.472   26.763    107.164   27.591    29.464  3.4569  26.149  4.0717  3.314423       5.341300 
1 1 1 1   6   0  o 66.021  1.8636  583.882   32.955    578.412   46.475    589.414   46.738    65.710  2.6405  66.332  2.6306  -0.6220703     3.727249 
1 1 1 1   6   1  o 164.269 3.2996  3616.75   145.169   3566.04   205.209   3667.55   205.390   163.115 4.6969  165.422 4.6355  -2.306946      6.599161 
1 1 1 1   6   2  o 148.431 3.0304  2952.78   120.456   2886.70   170.319   3018.90   170.383   146.768 4.3325  150.093 4.2381  -3.325027      6.060752 
1 1 1 1   6   3  o 215.791 4.1894  6244.25   242.092   6400.49   342.575   6088.37   342.166   218.491 5.8537  213.091 5.9949  5.399765       8.378866 
1 1 1 1   6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   6   5  o 615.547 11.369  51162.57  1873.71   52836.96  2651.24   49491.74  2648.43   625.689 15.820  605.405 16.333  20.28442       22.73803 
1 1 1 1   6   6  o 470.247 8.6725  29751.82  1092.23   29226.73  1544.27   30277.43  1545.02   466.077 12.370  474.418 12.159  -8.340790      17.34510 
1 1 1 1   6   7  o 264.789 5.0319  9404.95   356.809   9181.34   504.426   9628.87   504.781   261.634 7.1980  267.944 7.0335  -6.309723      10.06387 
1 1 1 1   6   8  o 388.454 7.1555  20267.80  744.497   20372.50  1052.94   20163.12  1052.82   389.460 10.094  387.448 10.145  2.012238       14.31095 
1 1 1 1   6   9  o 652.487 11.940  57475.19  2086.57   56712.25  2950.26   58238.75  2951.45   648.120 16.995  656.853 16.776  -8.732361      23.87976 
1 1 1 1   6   10 o 107.948 2.4282  1561.19   70.200    1531.76   99.175    1590.74   99.382    106.928 3.4628  108.968 3.4050  -2.039940      4.856435 
1 1 1 1   6   11 o 450.875 8.3268  27344.66  1005.59   27275.01  1421.98   27414.34  1422.25   450.298 11.790  451.452 11.762  -1.153351      16.65352 
1 1 1 1   6   12 o 295.302 5.5330  11704.88  437.639   11738.06  618.867   11671.69  618.964   295.722 7.8131  294.883 7.8366  0.8392639      11.06604 
1 1 1 1   6   13 o 271.212 5.1596  9876.58   374.714   9607.73   529.619   10146.05  530.234   267.508 7.3916  274.917 7.2007  -7.409637      10.31922 
1 1 1 1   6   14 o 142.126 2.9957  2708.36   114.035   2670.33   161.132   2746.53   161.409   141.126 4.2627  143.127 4.2103  -2.001266      5.991475 
1 1 1 1   6   15 o 42.371  1.7822  241.383   20.132    236.667   28.321    246.201   28.624    41.950  2.5324  42.791  2.5084  -0.8413086     3.564377 
1 1 1 1   6   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   6   17 o 131.051 2.8156  2305.24   98.811    2357.06   139.660   2253.30   139.820   132.529 3.9343  129.573 4.0287  2.956345       5.631109 
1 1 1 1   6   18 o 63.465  1.9263  540.136   32.735    553.279   46.225    526.912   46.365    64.240  2.6865  62.689  2.7613  1.551319       3.852509 
1 1 1 1   6   19 o 80.884  2.1554  878.812   46.588    948.262   65.916    809.492   65.854    84.087  2.9267  77.681  3.1650  6.405281       4.310772 
1 1 1 1   6   20 o 192.415 3.8902  4985.79   200.449   5102.34   283.393   4869.10   283.561   194.678 5.4348  190.152 5.5675  4.526154       7.780356 
1 1 1 1   6   21 o 165.775 3.4122  3697.78   151.429   3834.19   214.067   3561.16   214.240   168.850 4.7333  162.700 4.9161  6.149475       6.824378 
1 1 1 1   6   22 o 107.835 2.5162  1561.23   72.675    1563.75   102.481   1558.68   103.078   107.923 3.5452  107.746 3.5717  0.1770325      5.032423 
1 1 1 1   6   23 o 160.252 3.2427  3456.10   139.114   3321.23   196.353   3592.03   197.123   157.099 4.6663  163.405 4.5038  -6.306015      6.485307 
1 1 1 1   6   24 o 43.309  1.8909  252.628   21.818    242.744   30.700    262.715   31.014    42.446  2.7145  44.172  2.6333  -1.725540      3.781896 
1 1 1 1   6   25 f 131.034 2.8425  2312.01   99.764    2313.77   140.846   2310.23   141.331   131.085 4.0115  130.982 4.0284  0.1034393      5.685074 
1 1 1 1   6   26 o 96.050  2.3649  1241.66   60.832    1258.55   85.767    1224.56   86.296    96.712  3.3109  95.388  3.3776  1.324089       4.729716 
1 1 1 1   6   27 o 112.242 2.6486  1700.67   79.615    1727.23   112.319   1673.86   112.869   113.132 3.7066  111.352 3.7843  1.779648       5.297187 
1 1 1 1   6   28 o 115.951 2.6679  1819.55   82.841    1855.27   116.940   1783.56   117.373   117.108 3.7281  114.794 3.8173  2.313393       5.335778 
1 1 1 1   6   29 o 36.626  1.9519  182.000   18.999    184.372   26.601    179.529   27.145    36.879  2.7120  36.373  2.8080  0.5062447      3.903774 
1 1 1 1   6   30 o 58.461  2.0059  462.040   31.406    466.133   44.234    457.879   44.599    58.727  2.8121  58.196  2.8612  0.5316048      4.011723 
1 1 1 1   6   31 o 27.460  2.0373  103.281   14.750    106.241   20.714    100.236   21.010    27.878  2.8125  27.043  2.9484  0.8349857      4.074647 
1 1 1 1   6   32 o 25.650  2.1629  90.605    14.565    88.765    20.434    92.506    20.767    25.380  3.0682  25.921  3.0495  -0.5408993     4.325899 
1 1 1 1   6   33 o 27.083  2.2218  102.062   15.641    115.670   21.906    87.909    22.339    29.033  2.8538  25.133  3.4062  3.899851       4.443646 
1 1 1 1   6   34 o 27.738  2.2341  106.667   16.299    104.676   23.069    108.651   23.032    27.466  3.1955  28.011  3.1230  -0.5443325     4.468119 
1 1 1 1   6   35 o 12.959  2.9022  23.067    11.605    30.206    16.230    15.599    16.600    14.468  4.0357  11.450  4.1717  3.017581       5.804302 
1 1 1 1   6   36 o 37.080  2.1801  191.295   21.454    189.085   30.085    193.583   30.602    36.864  3.0750  37.295  3.0913  -0.4310722     4.360230 
1 1 1 1   6   37 f 33.840  2.1816  161.189   19.463    175.016   27.284    146.864   27.772    35.421  2.9012  32.259  3.2588  3.162090       4.363164 
1 1 1 1   6   38 o 33.398  2.2122  157.988   19.531    163.850   27.349    151.886   27.901    34.092  3.0265  32.704  3.2273  1.387863       4.424357 
1 1 1 1   6   39 o 16.969  2.9620  44.395    13.622    54.699    18.857    33.149    19.699    19.176  3.8056  14.761  4.5401  4.414958       5.924100 
1 1 1 1   6   40 o 13.883  4.4360  29.103    18.628    29.103    18.628    0.0000    0.0000    13.883  4.4360  ?       ?       ?              ?        
1 1 1 1   6   41 o 13.488  3.2548  27.381    14.128    24.576    19.622    30.401    20.358    12.941  4.5571  14.035  4.6486  -1.094132      6.509674 
1 1 1 1   6   42 o 19.328  3.0935  59.865    15.791    46.109    21.891    74.788    22.800    16.721  4.6950  21.934  4.0293  -5.213585      6.186930 
1 1 1 1   7   0  o 303.919 5.7011  12397.75  464.050   12598.58  656.199   12196.85  656.332   306.387 7.9961  301.451 8.1286  4.935211       11.40227 
1 1 1 1   7   1  o 390.596 10.293  20574.29  1076.68   20946.41  1521.32   20200.86  1523.99   394.162 14.410  387.031 14.701  7.130951       20.58544 
1 1 1 1   7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   7   3  o 257.757 4.8810  8910.90   336.980   8923.79   476.637   8898.01   476.488   257.943 6.8988  257.570 6.9066  0.3732605      9.761936 
1 1 1 1   7   4  o 421.830 7.7706  23920.49  877.817   23404.00  1241.14   24437.45  1241.70   417.257 11.105  426.403 10.872  -9.145996      15.54111 
1 1 1 1   7   5  o 192.312 3.7862  4958.69   194.922   5154.10   275.996   4764.22   275.328   196.097 5.2547  188.528 5.4524  7.568695       7.572309 
1 1 1 1   7   6  o 168.507 3.3833  3805.46   152.689   3751.11   216.007   3859.74   215.864   167.304 4.8203  169.711 4.7488  -2.407074      6.766543 
1 1 1 1   7   7  o 478.306 8.8229  30772.73  1130.32   30952.19  1598.71   30593.37  1598.32   479.707 12.442  476.906 12.512  2.800262       17.64581 
1 1 1 1   7   8  o 473.999 8.7168  30226.50  1106.19   29160.39  1563.59   31294.78  1565.19   465.594 12.538  482.404 12.113  -16.80948      17.43369 
1 1 1 1   7   9  o 306.918 5.7366  12640.31  471.567   12480.27  666.700   12800.54  667.095   304.970 8.1618  308.865 8.0636  -3.895630      11.47328 
1 1 1 1   7   10 o 308.803 5.8236  12800.84  481.568   12463.19  680.671   13139.22  681.409   304.717 8.3397  312.890 8.1307  -8.172455      11.64728 
1 1 1 1   7   11 o 246.654 4.7023  8161.35   310.661   8117.45   439.210   8205.30   439.472   245.989 6.6660  247.319 6.6341  -1.329529      9.404668 
1 1 1 1   7   12 o 267.151 5.1411  9584.05   367.774   9852.22   520.281   9316.24   519.941   270.896 7.1704  263.406 7.3695  7.489990       10.28227 
1 1 1 1   7   13 o 279.438 5.2600  10495.42  393.647   10303.86  556.456   10687.32  556.946   276.877 7.5033  281.999 7.3735  -5.122345      10.51995 
1 1 1 1   7   14 o 196.491 3.8880  5184.04   204.624   5181.23   289.311   5186.84   289.455   196.438 5.4986  196.544 5.4983  -0.1063080     7.776006 
1 1 1 1   7   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   7   16 o 117.205 2.6056  1843.00   81.798    1844.88   115.607   1841.12   115.754   117.265 3.6807  117.145 3.6891  0.1197510      5.211235 
1 1 1 1   7   17 o 85.334  2.1902  976.688   50.054    991.753   70.733    961.577   70.842    85.994  3.0709  84.674  3.1236  1.320435       4.380333 
1 1 1 1   7   18 o 193.086 3.8280  5017.03   197.965   5063.11   279.826   4970.85   280.104   193.978 5.3858  192.193 5.4412  1.784821       7.655901 
1 1 1 1   7   19 o 125.013 2.8129  2098.80   94.187    2095.89   133.035   2101.72   133.366   124.926 3.9758  125.099 3.9802  -0.1732101     5.625715 
1 1 1 1   7   20 o 186.927 3.7699  4704.06   188.750   4717.65   266.729   4690.43   267.137   187.200 5.3196  186.655 5.3432  0.5450745      7.539770 
1 1 1 1   7   21 o 80.666  2.2013  873.084   47.562    873.906   67.144    872.257   67.383    80.704  3.1062  80.628  3.1202  0.7683563E-01  4.402673 
1 1 1 1   7   22 o 110.657 2.5381  1644.43   75.226    1637.77   106.129   1651.15   106.644   110.432 3.5880  110.882 3.5908  -0.4499588     5.076155 
1 1 1 1   7   23 o 69.160  2.0533  641.925   38.028    624.323   53.567    659.808   53.994    68.202  2.9323  70.117  2.8750  -1.914436      4.106572 
1 1 1 1   7   24 o 26.467  2.0675  95.809    14.248    81.018    20.152    110.589   20.146    24.354  3.1641  28.580  2.6622  -4.226126      4.135081 
1 1 1 1   7   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   7   26 o 84.282  2.2347  956.266   50.445    944.269   70.987    968.505   71.698    83.748  3.1646  84.817  3.1560  -1.069145      4.469344 
1 1 1 1   7   27 o 92.476  2.3765  1154.64   58.837    1191.05   82.998    1117.85   83.420    93.955  3.2981  90.996  3.4226  2.958862       4.753038 
1 1 1 1   7   28 o 37.372  1.9184  189.174   19.035    174.386   26.603    204.688   27.249    35.855  2.7921  38.888  2.6315  -3.032951      3.836770 
1 1 1 1   7   29 o 36.187  1.9451  177.883   18.703    180.224   26.170    175.440   26.738    36.440  2.7005  35.933  2.8002  0.5073357      3.890221 
1 1 1 1   7   30 f 64.934  2.0865  571.035   36.286    560.122   50.998    582.224   51.640    64.304  2.9609  65.565  2.9405  -1.261536      4.172963 
1 1 1 1   7   31 o 39.753  2.0103  215.433   21.247    221.718   29.788    208.925   30.313    40.363  2.7722  39.143  2.9121  1.219654       4.020575 
1 1 1 1   7   32 o 33.477  2.0297  153.267   18.007    144.777   25.164    162.177   25.778    32.508  2.9212  34.446  2.8187  -1.937923      4.059342 
1 1 1 1   7   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   7   34 o 19.923  2.5960  57.143    13.223    42.203    18.520    72.677    18.885    17.053  4.1041  22.793  3.1800  -5.739399      5.191919 
1 1 1 1   7   35 o 16.450  2.9541  39.629    13.041    37.485    18.129    41.928    18.775    15.993  4.1840  16.907  4.1715  -0.9144878     5.908225 
1 1 1 1   7   36 o 11.997  2.4854  13.624    10.954    40.885    16.049    -10.1490  14.988    16.737  3.6803  7.2569  3.3412  9.479976       4.970715 
1 1 1 1   7   37 o 15.650  3.0359  36.840    13.109    37.070    18.617    36.613    18.463    15.696  4.3009  15.604  4.2860  0.9134674E-01  6.071833 
1 1 1 1   7   38 o 20.947  2.8109  65.459    15.169    57.697    21.398    73.299    21.506    19.545  4.2116  22.349  3.7237  -2.804298      5.621716 
1 1 1 1   7   39 o 12.322  3.0650  20.918    12.651    25.189    17.985    16.735    17.798    13.118  4.3704  11.525  4.2983  1.593905       6.129921 
1 1 1 1   7   40 o 26.893  2.6323  107.947   18.201    121.129   25.214    93.603    26.302    28.901  3.3174  24.885  4.0880  4.015661       5.264664 
1 1 1 1   7   41 o 9.7600  2.8157  6.7536    12.209    15.861    16.612    -3.9454   18.005    11.021  4.1443  8.4992  3.8129  2.521623       5.631478 
1 1 1 1   8   0  f 225.907 6.1343  6851.88   371.032   7091.03   525.847   6614.76   523.596   229.841 8.5417  221.972 8.8066  7.868896       12.26851 
1 1 1 1   8   1  o 153.380 3.1559  3153.48   129.600   3256.97   183.229   3049.86   183.334   155.901 4.3879  150.860 4.5371  5.041443       6.311830 
1 1 1 1   8   2  o 523.669 9.6858  36937.02  1358.40   36254.85  1920.56   37619.89  1921.56   518.804 13.821  528.535 13.573  -9.730408      19.37154 
1 1 1 1   8   3  o 62.565  1.8646  524.337   31.245    529.375   44.221    519.316   44.154    62.865  2.6262  62.265  2.6475  0.6002235      3.729150 
1 1 1 1   8   4  o 586.468 10.806  46373.82  1697.28   46979.71  2400.93   45768.55  2399.70   590.322 15.185  582.614 15.378  7.708191       21.61112 
1 1 1 1   8   5  o 248.115 4.7055  8254.84   312.709   8321.16   442.464   8188.67   442.011   249.112 6.6312  247.118 6.6779  1.993362       9.411037 
1 1 1 1   8   6  f 331.761 6.2260  14775.51  553.058   14320.00  781.936   15231.50  782.348   326.633 8.9376  336.890 8.6701  -10.25714      12.45196 
1 1 1 1   8   7  o 401.326 7.4159  21640.70  796.997   21117.99  1126.76   22164.09  1127.48   396.461 10.611  406.192 10.363  -9.730835      14.83174 
1 1 1 1   8   8  o 140.672 2.9379  2651.80   110.682   2603.53   156.538   2700.07   156.518   139.391 4.1927  141.954 4.1165  -2.562134      5.875749 
1 1 1 1   8   9  o 494.730 9.1560  32966.52  1213.20   33424.14  1716.13   32509.33  1715.32   498.181 12.861  491.279 13.035  6.902252       18.31198 
1 1 1 1   8   10 o 409.884 7.6237  22605.56  836.940   22338.23  1183.38   22873.10  1183.84   407.449 10.843  412.320 10.719  -4.871124      15.24739 
1 1 1 1   8   11 o 270.234 5.1003  9810.24   368.913   9378.96   521.268   10243.01  522.176   264.266 7.3643  276.202 7.0583  -11.93607      10.20060 
1 1 1 1   8   12 o 187.997 3.7174  4742.22   187.182   4697.46   264.581   4787.07   264.850   187.107 5.2793  188.887 5.2349  -1.779343      7.434772 
1 1 1 1   8   13 o 86.595  2.1601  1005.21   50.092    1027.78   70.834    982.636   70.847    87.568  3.0200  85.621  3.0893  1.946503       4.320179 
1 1 1 1   8   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   8   15 o 150.553 3.1584  3044.77   127.272   2905.64   179.726   3184.71   180.256   147.094 4.5617  154.013 4.3696  -6.919250      6.316855 
1 1 1 1   8   16 o 83.015  2.1320  924.195   47.399    904.828   66.891    943.727   67.175    82.140  3.0403  83.889  2.9896  -1.748917      4.263970 
1 1 1 1   8   17 o 83.597  2.1337  937.303   47.776    933.508   67.422    941.130   67.709    83.427  3.0172  83.767  3.0178  -0.3398514     4.267381 
1 1 1 1   8   18 o 80.709  2.1372  873.767   46.201    874.065   65.269    873.468   65.407    80.723  3.0187  80.695  3.0261  0.2789307E-01  4.274342 
1 1 1 1   8   19 o 153.354 3.2035  3161.51   131.576   3205.70   185.961   3117.20   186.192   154.431 4.4957  152.276 4.5650  2.155334       6.407073 
1 1 1 1   8   20 o 55.274  1.9221  409.759   28.454    403.075   40.205    416.467   40.276    54.822  2.7380  55.726  2.6984  -0.9044456     3.844199 
1 1 1 1   8   21 o 176.729 3.6370  4207.19   172.115   4320.81   243.331   4093.42   243.485   179.131 5.0715  174.327 5.2146  4.804504       7.274065 
1 1 1 1   8   22 o 66.614  2.0443  595.634   36.469    607.544   51.471    583.628   51.679    67.285  2.8560  65.944  2.9258  1.340996       4.088650 
1 1 1 1   8   23 f 33.055  1.9461  147.645   17.047    137.232   23.842    158.535   24.382    31.847  2.8244  34.264  2.6780  -2.416729      3.892149 
1 1 1 1   8   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   8   25 o 41.325  1.9024  230.438   20.939    225.655   29.311    235.423   29.923    40.885  2.6916  41.765  2.6892  -0.8795013     3.804793 
1 1 1 1   8   26 o 41.185  1.9268  229.410   21.120    237.402   29.718    221.255   30.020    41.922  2.6604  40.448  2.7880  1.474113       3.853599 
1 1 1 1   8   27 o 63.809  2.0457  549.265   34.956    555.670   49.104    542.685   49.772    64.192  2.8559  63.427  2.9297  0.7658119      4.091412 
1 1 1 1   8   28 o 14.849  2.5568  31.060    10.126    36.270    14.491    26.088    14.155    16.053  3.4711  13.644  3.7550  2.409318       5.113535 
1 1 1 1   8   29 o 24.706  2.1047  83.816    13.641    81.149    19.247    86.508    19.336    24.296  3.0231  25.116  2.9293  -0.8198719     4.209460 
1 1 1 1   8   30 f 61.476  2.0590  512.190   33.894    495.829   47.502    529.158   48.376    60.471  2.9328  62.481  2.8906  -2.010300      4.117908 
1 1 1 1   8   31 f 22.626  2.3165  71.116    13.625    69.049    18.954    73.325    19.600    22.281  3.2737  22.972  3.2785  -0.6911488     4.633080 
1 1 1 1   8   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   8   33 o 14.358  2.8361  29.207    11.416    23.578    15.633    35.640    16.711    13.006  4.0518  15.710  3.9696  -2.704763      5.672301 
1 1 1 1   8   34 o 41.818  2.0880  241.651   23.218    247.712   32.503    235.338   33.177    42.386  2.8800  41.249  3.0239  1.137135       4.175952 
1 1 1 1   8   35 o 27.672  2.3273  108.074   16.880    113.988   23.791    102.078   23.953    28.493  3.1712  26.851  3.4071  1.641472       4.654554 
1 1 1 1   8   36 o 11.617  2.9138  17.674    11.356    18.041    15.625    17.262    16.534    11.640  4.0686  11.595  4.1724  0.4530430E-01  5.827693 
1 1 1 1   8   37 o 13.654  2.8833  27.076    11.911    16.029    16.809    38.214    16.879    11.339  4.1874  15.969  3.9646  -4.629905      5.766513 
1 1 1 1   8   38 o 20.419  2.8128  62.325    14.829    59.338    20.790    65.418    21.157    19.876  4.0427  20.962  3.9121  -1.085733      5.625615 
1 1 1 1   8   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   8   40 o 17.892  2.8883  50.809    14.471    77.720    20.499    24.075    20.432    22.925  3.4449  12.860  4.6369  10.06462       5.776555 
1 1 1 1   9   0  o 507.868 9.3266  34722.11  1268.70   34576.65  1793.86   34867.70  1794.57   506.798 13.215  508.937 13.165  -2.138550      18.65315 
1 1 1 1   9   1  o 598.458 10.979  48302.95  1759.78   48680.41  2488.85   47925.57  2488.57   600.812 15.466  596.103 15.586  4.708557       21.95719 
1 1 1 1   9   2  o 403.692 7.3831  21899.20  797.966   22670.01  1129.16   21130.21  1127.83   410.811 10.262  396.572 10.618  14.23907       14.76622 
1 1 1 1   9   3  o 551.580 10.207  40995.21  1507.21   42484.53  2132.71   39509.20  2130.33   561.648 14.177  541.512 14.688  20.13538       20.41338 
1 1 1 1   9   4  o 397.282 7.3480  21201.56  781.876   21437.19  1106.06   20966.20  1105.42   399.494 10.337  395.069 10.446  4.425507       14.69600 
1 1 1 1   9   5  o 602.160 11.080  48898.27  1787.11   48603.74  2527.30   49192.82  2527.42   600.334 15.717  603.986 15.623  -3.652161      22.16085 
1 1 1 1   9   6  o 248.093 4.6859  8253.79   311.382   8251.32   440.515   8256.26   440.208   248.056 6.6301  248.130 6.6235  -0.7460022E-01 9.371738 
1 1 1 1   9   7  o 299.192 5.6182  12013.56  450.185   11806.48  636.616   12220.70  636.701   296.608 8.0132  301.777 7.8770  -5.168793      11.23648 
1 1 1 1   9   8  o 146.241 2.9849  2868.10   116.785   2707.40   165.067   3029.16   165.250   142.134 4.3358  150.348 4.1035  -8.214203      5.969769 
1 1 1 1   9   9  o 121.004 2.6322  1962.09   85.311    1971.10   120.794   1953.14   120.503   121.281 3.7185  120.727 3.7265  0.5540085      5.264422 
1 1 1 1   9   10 o 213.358 4.1446  6108.47   236.853   6145.53   335.090   6071.47   334.833   214.006 5.8458  212.710 5.8769  1.295578       8.289269 
1 1 1 1   9   11 o 53.817  1.8299  388.926   26.273    419.970   37.314    358.404   36.999    55.986  2.4883  51.648  2.6837  4.337826       3.659788 
1 1 1 1   9   12 o 32.382  2.5730  140.904   21.143    98.962    28.297    193.905   31.810    26.862  4.0596  37.901  3.1623  -11.03924      5.145917 
1 1 1 1   9   13 o 140.304 4.2801  2664.29   159.646   2319.72   227.822   2996.75   223.781   131.291 6.4785  149.317 5.5953  -18.02596      8.560276 
1 1 1 1   9   14 f 105.179 2.4292  1484.34   68.407    1532.19   96.714    1436.43   96.772    106.879 3.3784  103.480 3.4914  3.399124       4.858344 
1 1 1 1   9   15 o 34.632  1.7445  161.623   16.069    156.341   22.713    166.916   22.737    34.059  2.5074  35.205  2.4261  -1.145828      3.489000 
1 1 1 1   9   16 o 62.476  1.9081  523.519   31.901    495.831   44.945    551.630   45.287    60.809  2.7595  64.143  2.6359  -3.333927      3.816124 
1 1 1 1   9   17 o 148.108 3.1040  2947.90   123.103   2864.35   173.844   3031.94   174.344   145.996 4.4456  150.219 4.3330  -4.223175      6.207926 
1 1 1 1   9   18 o 59.341  1.9542  472.339   31.055    481.379   43.815    463.213   44.022    59.913  2.7303  58.770  2.7966  1.143261       3.908350 
1 1 1 1   9   19 o 184.633 3.6950  4589.05   182.733   4578.97   258.194   4599.16   258.654   184.430 5.2267  184.836 5.2245  -0.4065857     7.390070 
1 1 1 1   9   20 o 32.566  1.9511  143.195   16.839    134.304   23.525    152.537   24.114    31.516  2.8164  33.615  2.7010  -2.098648      3.902274 
1 1 1 1   9   21 o 123.526 2.7732  2051.36   91.740    2001.47   129.434   2101.72   130.048   122.012 3.9606  125.040 3.8830  -3.027794      5.546476 
1 1 1 1   9   22 o 13.325  2.4846  24.178    9.7851    38.275    13.781    9.8456    13.896    16.598  3.2159  10.052  3.7883  6.546062       4.969294 
1 1 1 1   9   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   9   24 o 47.551  1.9310  304.917   24.489    300.999   34.507    308.892   34.761    47.242  2.7388  47.861  2.7228  -0.6192513     3.861974 
1 1 1 1   9   25 o 86.769  2.3142  1015.18   53.783    1009.59   75.779    1020.85   76.346    86.529  3.2696  87.009  3.2759  -0.4805069     4.628377 
1 1 1 1   9   26 o 85.943  2.2894  997.843   52.642    937.293   73.967    1059.99   74.937    83.283  3.3159  88.603  3.1576  -5.320496      4.578795 
1 1 1 1   9   27 o 44.730  1.9175  270.919   22.862    264.527   32.196    277.421   32.469    44.192  2.7334  45.268  2.6900  -1.076000      3.835031 
1 1 1 1   9   28 o 59.472  2.0029  478.344   31.901    479.984   44.812    476.658   45.424    59.580  2.8081  59.364  2.8568  0.2167053      4.005789 
1 1 1 1   9   29 o 82.720  2.2854  930.691   50.579    975.840   71.282    884.911   71.779    84.776  3.1392  80.664  3.3222  4.112366       4.570736 
1 1 1 1   9   30 o 12.099  2.6890  19.255    10.077    27.142    14.335    11.550    14.168    13.848  3.7654  10.349  3.8399  3.498853       5.378045 
1 1 1 1   9   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   9   32 o 21.014  2.4830  62.664    13.421    68.551    18.708    56.423    19.264    22.131  3.2532  19.898  3.7521  2.232933       4.966002 
1 1 1 1   9   33 o 19.365  2.7548  56.772    13.947    83.645    19.461    28.400    19.997    24.497  3.0307  14.233  4.6011  10.26396       5.509573 
1 1 1 1   9   34 o 16.299  2.7762  39.161    12.756    19.272    18.026    59.110    18.054    12.254  4.3621  20.345  3.4353  -8.090738      5.552453 
1 1 1 1   9   35 o 35.387  2.1588  176.177   20.149    192.200   28.191    159.444   28.809    37.146  2.8553  33.628  3.2386  3.518291       4.317534 
1 1 1 1   9   36 o 16.154  2.9084  38.935    13.031    25.673    18.097    53.215    18.780    13.328  4.3812  18.980  3.8261  -5.652144      5.816754 
1 1 1 1   9   37 o 17.092  2.9233  44.599    14.069    23.220    19.842    66.216    19.952    12.928  4.5793  21.256  3.6349  -8.328115      5.846578 
1 1 1 1   9   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   9   39 o 9.3650  2.7819  3.7634    11.991    -2.3842   16.510    10.626    17.445    8.3782  3.7114  10.352  4.1450  -1.973536      5.563763 
1 1 1 1   9   40 o 23.955  2.8445  90.262    17.265    107.470   23.891    71.452    24.977    26.888  3.3928  21.022  4.5665  5.865578       5.688947 
1 1 1 1   10  0  o 299.472 5.5924  12032.75  448.527   11803.40  633.789   12262.86  634.838   296.608 7.9776  302.336 7.8394  -5.727051      11.18476 
1 1 1 1   10  1  o 373.150 6.8956  18697.39  689.193   18785.63  974.557   18609.11  974.776   374.033 9.7277  372.267 9.7760  1.766388       13.79121 
1 1 1 1   10  2  o 228.410 4.4285  6995.54   270.880   7160.28   383.178   6830.97   382.987   231.101 6.1903  225.719 6.3347  5.382568       8.857088 
1 1 1 1   10  3  o 394.268 7.2790  20883.02  768.568   21329.49  1087.29   20437.16  1086.55   398.492 10.187  390.043 10.400  8.449036       14.55805 
1 1 1 1   10  4  o 187.954 3.7881  4735.28   190.701   4690.81   269.756   4779.70   269.627   187.072 5.3836  188.837 5.3307  -1.765625      7.576279 
1 1 1 1   10  5  o 182.643 3.6238  4471.70   177.241   4587.31   250.951   4356.64   250.364   185.000 5.0644  180.285 5.1847  4.714859       7.247687 
1 1 1 1   10  6  o 156.067 3.1645  3265.95   132.183   3119.40   186.950   3412.45   186.921   152.562 4.5750  159.572 4.3733  -7.010223      6.329032 
1 1 1 1   10  7  o 307.691 5.7894  12714.54  477.114   12859.51  675.060   12569.84  674.422   309.448 8.1445  305.934 8.2303  3.514038       11.57888 
1 1 1 1   10  8  o 293.830 5.5259  11599.15  434.885   11486.77  615.064   11711.51  614.978   292.402 7.8533  295.258 7.7762  -2.855804      11.05186 
1 1 1 1   10  9  o 201.905 3.9180  5470.56   211.886   5453.12   299.782   5487.96   299.521   201.583 5.5522  202.228 5.5297  -0.6447144     7.836049 
1 1 1 1   10  10 o 175.956 3.5561  4155.37   167.576   4237.16   237.222   4073.91   236.754   177.687 4.9844  174.224 5.0734  3.463150       7.112201 
1 1 1 1   10  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   10  12 o 158.476 3.2322  3372.09   137.197   3363.02   194.019   3381.16   194.033   158.263 4.5770  158.690 4.5650  -0.4273376     6.464323 
1 1 1 1   10  13 o 37.565  1.7511  189.965   17.520    191.462   24.833    188.481   24.721    37.714  2.4720  37.417  2.4808  0.2968788      3.502151 
1 1 1 1   10  14 o 60.235  1.8780  486.690   30.265    457.984   42.674    515.740   42.929    58.445  2.7260  62.025  2.5840  -3.579441      3.756063 
1 1 1 1   10  15 o 95.157  2.2979  1214.75   58.568    1209.46   82.731    1220.06   82.926    94.949  3.2530  95.365  3.2465  -0.4157867     4.595858 
1 1 1 1   10  16 o 123.871 2.7084  2060.16   89.861    2066.59   126.979   2053.71   127.186   124.065 3.8211  123.676 3.8394  0.3888321      5.416829 
1 1 1 1   10  17 o 69.746  2.0826  652.976   38.852    694.161   55.045    612.093   54.844    71.942  2.8566  67.549  3.0312  4.392639       4.165148 
1 1 1 1   10  18 o 92.385  2.2937  1145.30   56.758    1136.78   80.089    1153.89   80.447    92.039  3.2487  92.730  3.2389  -0.6908722     4.587451 
1 1 1 1   10  19 o 110.190 2.6096  1630.89   76.996    1579.13   108.572   1683.25   109.209   108.427 3.7384  111.953 3.6419  -3.526016      5.219164 
1 1 1 1   10  20 o 94.433  2.3505  1197.56   59.447    1172.43   83.824    1222.99   84.318    93.434  3.3495  95.432  3.2987  -1.997627      4.701068 
1 1 1 1   10  21 f 28.360  2.0249  109.435   15.091    120.644   21.288    98.112    21.395    29.860  2.6906  26.860  3.0267  3.000502       4.049727 
1 1 1 1   10  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   10  23 o 97.284  2.4135  1274.93   62.883    1292.07   88.712    1257.61   89.149    97.947  3.3815  96.622  3.4447  1.325455       4.827037 
1 1 1 1   10  24 o 69.595  2.0752  652.113   38.682    643.339   54.380    661.101   55.035    69.121  2.9372  70.069  2.9324  -0.9482956     4.150465 
1 1 1 1   10  25 o 23.875  2.1190  78.007    13.244    74.679    18.446    81.548    19.029    23.338  3.0218  24.413  2.9714  -1.074898      4.237967 
1 1 1 1   10  26 o 21.020  2.2628  61.119    12.332    61.788    17.232    60.417    17.656    21.153  3.1363  20.888  3.2625  0.2653484      4.525532 
1 1 1 1   10  27 o 57.084  2.0057  441.091   30.614    433.128   43.076    449.217   43.516    56.525  2.8544  57.643  2.8185  -1.118210      4.011381 
1 1 1 1   10  28 o 68.102  2.1119  628.714   38.522    628.284   54.245    629.151   54.715    68.081  2.9747  68.122  2.9987  -0.4033661E-01 4.223876 
1 1 1 1   10  29 o 41.906  2.0072  239.261   22.393    244.052   31.702    234.491   31.635    42.333  2.8119  41.478  2.8650  0.8542824      4.014336 
1 1 1 1   10  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   10  31 o 38.088  2.0945  199.924   21.115    216.563   29.630    182.756   30.097    39.764  2.7999  36.413  3.1159  3.350208       4.189062 
1 1 1 1   10  32 o 13.495  2.5534  23.006    11.261    47.177    16.253    0.6853    15.618    18.191  3.4621  8.7982  3.7542  9.392967       5.106864 
1 1 1 1   10  33 o 19.124  2.6669  52.971    13.166    46.397    18.503    59.713    18.739    17.823  3.9768  20.425  3.5544  -2.601208      5.333738 
1 1 1 1   10  34 o 14.501  2.9303  30.896    11.992    27.289    16.736    34.702    17.193    13.697  4.1800  15.306  4.1078  -1.609867      5.860580 
1 1 1 1   10  35 o 47.872  2.1504  321.426   27.430    318.191   38.633    324.715   38.952    47.626  3.0444  48.118  3.0379  -0.4920692     4.300814 
1 1 1 1   10  36 o 31.271  2.3349  140.075   19.167    151.334   26.837    128.353   27.384    32.680  3.1032  29.862  3.4896  2.818760       4.669763 
1 1 1 1   10  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   10  38 o 20.886  2.8521  66.120    15.367    59.795    21.330    72.944    22.156    19.746  4.1641  22.025  3.8984  -2.278841      5.704124 
1 1 1 1   10  39 o 23.180  2.7709  82.363    16.529    73.477    23.317    91.338    23.434    21.720  4.1595  24.640  3.6621  -2.919947      5.541844 
1 1 1 1   11  0  o 603.038 11.115  49048.23  1795.17   49644.43  2538.81   48452.09  2538.70   606.729 15.622  599.347 15.814  7.381653       22.22931 
1 1 1 1   11  1  o 286.647 5.4087  11023.33  415.251   11136.13  587.091   10910.41  587.416   288.117 7.6076  285.177 7.6903  2.940125       10.81738 
1 1 1 1   11  2  o 335.917 6.3346  15149.12  569.955   15179.60  805.918   15118.61  806.157   336.256 8.9481  335.578 8.9689  0.6781006      12.66922 
1 1 1 1   11  3  o 202.956 3.9600  5522.13   215.268   5541.35   304.469   5502.92   304.400   203.309 5.5911  202.602 5.6093  0.7069092      7.919910 
1 1 1 1   11  4  o 337.476 6.3331  15297.63  572.401   15029.58  809.376   15565.83  809.619   334.510 9.0334  340.442 8.8787  -5.932129      12.66623 
1 1 1 1   11  5  o 246.700 4.7525  8166.17   314.019   8077.46   444.215   8254.77   443.965   245.358 6.7593  248.042 6.6824  -2.683655      9.504918 
1 1 1 1   11  6  o 404.972 7.4887  22086.58  812.300   21951.51  1148.92   22221.58  1148.61   403.727 10.625  406.218 10.557  -2.490448      14.97747 
1 1 1 1   11  7  o 140.824 2.8916  2658.76   109.064   2635.77   154.447   2681.62   154.035   140.216 4.1124  141.432 4.0661  -1.215805      5.783179 
1 1 1 1   11  8  o 110.603 2.4995  1639.93   74.032    1682.28   104.954   1597.98   104.443   112.025 3.4978  109.180 3.5715  2.845184       4.999002 
1 1 1 1   11  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   11  10 o 168.994 4.8073  3842.66   217.488   4021.74   311.184   3671.65   304.089   172.851 6.7213  165.137 6.8749  7.713928       9.614611 
1 1 1 1   11  11 o 253.651 4.8886  8670.87   332.078   8859.21   469.930   8483.03   469.328   256.418 6.8422  250.883 6.9842  5.534943       9.777246 
1 1 1 1   11  12 o 107.859 2.4567  1560.78   70.969    1545.28   100.443   1576.24   100.289   107.323 3.4941  108.395 3.4543  -1.072128      4.913322 
1 1 1 1   11  13 o 119.926 2.6659  1930.40   85.634    1923.41   121.173   1937.38   121.035   119.708 3.7792  120.143 3.7612  -0.4352188     5.331830 
1 1 1 1   11  14 o 161.639 3.3153  3512.07   143.516   3441.47   202.821   3582.88   203.104   160.006 4.7325  163.272 4.6443  -3.265289      6.630650 
1 1 1 1   11  15 o 43.595  1.8677  255.774   21.705    255.201   30.831    256.337   30.561    43.545  2.6561  43.645  2.6265  -0.9967422E-01 3.735394 
1 1 1 1   11  16 o 174.278 3.5586  4086.15   166.113   4068.28   234.745   4104.07   235.095   173.895 5.0399  174.661 5.0253  -0.7655945     7.117147 
1 1 1 1   11  17 o 118.867 2.6513  1897.77   84.388    1950.07   119.311   1845.41   119.374   120.511 3.6963  117.224 3.8019  3.287231       5.302568 
1 1 1 1   11  18 o 84.254  2.2010  953.316   49.621    1002.35   70.167    904.261   70.183    86.427  3.0311  82.081  3.1923  4.346497       4.402036 
1 1 1 1   11  19 o 125.475 2.7292  2116.57   91.720    2132.71   129.476   2100.32   129.949   125.957 3.8378  124.992 3.8815  0.9652252      5.458420 
1 1 1 1   11  20 o 90.576  2.2869  1102.34   55.481    1096.29   78.204    1108.46   78.722    90.326  3.2324  90.826  3.2359  -0.4997559     4.573784 
1 1 1 1   11  21 o 129.110 2.8769  2247.00   99.486    2221.30   140.399   2272.93   140.992   128.365 4.0835  129.855 4.0537  -1.489548      5.753850 
1 1 1 1   11  22 o 127.127 2.8430  2182.21   96.787    2222.41   136.568   2141.64   137.190   128.315 3.9736  125.938 4.0670  2.376617       5.685943 
1 1 1 1   11  23 o 57.705  1.9811  448.221   30.618    454.572   43.235    441.832   43.366    58.118  2.7774  57.293  2.8259  0.8251457      3.962277 
1 1 1 1   11  24 o 55.063  1.9687  409.483   28.951    427.334   40.778    391.340   41.111    56.322  2.7031  53.804  2.8630  2.517956       3.937451 
1 1 1 1   11  25 o 46.928  1.9433  298.161   24.273    274.917   34.005    322.306   34.658    45.041  2.8331  48.815  2.6607  -3.773544      3.886663 
1 1 1 1   11  26 o 43.422  1.9366  255.703   22.408    251.979   31.512    259.511   31.869    43.100  2.7440  43.744  2.7337  -0.6439705     3.873278 
1 1 1 1   11  27 o 76.707  2.1981  798.400   45.154    807.631   63.554    788.989   64.167    77.165  3.0749  76.248  3.1419  0.9169388      4.396183 
1 1 1 1   11  28 o 78.174  2.2562  832.127   47.202    865.141   66.439    798.478   67.073    79.772  3.1094  76.577  3.2701  3.195511       4.512454 
1 1 1 1   11  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   11  30 o 15.781  2.7947  35.935    11.887    42.244    16.693    29.444    16.930    17.182  3.7338  14.380  4.1592  2.801423       5.589324 
1 1 1 1   11  31 o 11.154  2.7755  15.102    10.484    20.521    14.929    9.8294    14.727    12.255  3.9769  10.054  3.8728  2.200840       5.551084 
1 1 1 1   11  32 o 21.509  2.5634  66.727    14.104    77.991    19.814    55.157    20.081    23.537  3.2279  19.480  3.9831  4.057739       5.126886 
1 1 1 1   11  33 f 7.5722  2.3585  -3.1909   9.3005    -6.0946   12.585    0.3029    13.805    6.9593  3.1490  8.1851  3.5120  -1.225815      4.716970 
1 1 1 1   11  34 o 38.054  2.1822  203.284   22.001    186.283   30.584    221.517   31.674    36.346  3.1734  39.761  2.9961  -3.414238      4.364320 
1 1 1 1   11  35 o 16.832  2.9950  43.151    13.738    53.564    19.262    32.370    19.599    18.984  3.9182  14.681  4.5308  4.303004       5.989969 
1 1 1 1   11  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   11  37 o 19.875  2.9860  60.497    15.412    55.403    21.553    65.825    22.046    18.930  4.3431  20.820  4.0991  -1.890440      5.971975 
1 1 1 1   11  38 o 16.962  3.1445  46.283    14.739    56.272    20.538    35.677    21.163    19.000  4.1517  14.923  4.7239  4.076602       6.289015 
1 1 1 1   12  0  o 275.013 5.2037  10147.42  383.294   10256.50  541.752   10038.10  542.368   276.496 7.3151  273.531 7.4028  2.965393       10.40736 
1 1 1 1   12  1  o 121.828 2.6538  1988.68   86.596    1979.26   122.220   1998.17   122.712   121.539 3.7544  122.118 3.7516  -0.5792160     5.307525 
1 1 1 1   12  2  o 261.558 4.9467  9179.22   346.553   9171.34   489.958   9187.12   490.241   261.445 6.9966  261.670 6.9947  -0.2248840     9.893344 
1 1 1 1   12  3  o 193.240 3.7997  5007.58   196.646   5097.73   278.205   4917.57   277.993   194.980 5.3270  191.500 5.4197  3.480499       7.599384 
1 1 1 1   12  4  o 74.200  2.0263  737.762   40.256    762.342   57.044    713.376   56.819    75.432  2.8233  72.968  2.9072  2.463623       4.052518 
1 1 1 1   12  5  o 161.115 3.3027  3481.20   142.523   3464.35   201.756   3497.97   201.360   160.725 4.6865  161.505 4.6548  -0.7794189     6.605350 
1 1 1 1   12  6  o 422.891 7.8029  24171.35  883.835   24237.43  1250.22   24105.34  1249.64   423.473 11.022  422.309 11.048  1.164337       15.60574 
1 1 1 1   12  7  f 274.233 5.2229  10122.53  383.620   10022.03  542.700   10222.90  542.342   272.866 7.4254  275.601 7.3469  -2.735626      10.44576 
1 1 1 1   12  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   12  9  o 73.144  2.0005  717.323   39.186    704.710   55.525    729.839   55.312    72.503  2.8592  73.786  2.7987  -1.282921      4.000954 
1 1 1 1   12  10 o 67.777  1.9806  615.820   35.948    633.595   51.098    598.400   50.583    68.746  2.7750  66.808  2.8268  1.937973       3.961256 
1 1 1 1   12  11 o 155.954 3.2306  3267.61   134.937   3226.22   190.971   3308.88   190.690   154.964 4.6009  156.944 4.5362  -1.979660      6.461110 
1 1 1 1   12  12 o 147.833 3.1124  2935.98   123.239   2914.91   174.436   2956.98   174.136   147.301 4.4212  148.364 4.3820  -1.063492      6.224852 
1 1 1 1   12  13 o 189.384 3.7352  4825.90   189.474   4835.44   268.042   4816.38   267.873   189.571 5.2789  189.196 5.2860  0.3751984      7.470498 
1 1 1 1   12  14 o 93.792  2.3266  1180.41   58.442    1204.83   82.767    1156.13   82.532    94.761  3.2609  92.823  3.3195  1.937767       4.653260 
1 1 1 1   12  15 o 94.566  2.3315  1200.17   59.043    1228.03   83.495    1172.31   83.505    95.666  3.2585  93.466  3.3355  2.199821       4.662998 
1 1 1 1   12  16 f 111.705 2.5553  1675.41   76.452    1690.62   108.134   1660.22   108.104   112.213 3.5977  111.197 3.6296  1.015907       5.110552 
1 1 1 1   12  17 o 96.446  2.3647  1249.42   61.043    1305.17   86.355    1193.74   86.301    98.603  3.2697  94.289  3.4171  4.313362       4.729471 
1 1 1 1   12  18 o 79.888  2.1541  856.826   46.091    865.125   65.197    848.535   65.167    80.275  3.0322  79.500  3.0604  0.7752533      4.308120 
1 1 1 1   12  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   12  20 o 150.881 3.1940  3074.23   129.069   3021.57   182.188   3127.30   182.876   149.576 4.5475  152.187 4.4863  -2.611420      6.388000 
1 1 1 1   12  21 o 71.163  2.0927  681.211   39.886    670.669   56.156    691.943   56.661    70.606  2.9693  71.720  2.9496  -1.113258      4.185328 
1 1 1 1   12  22 o 51.292  1.9567  355.220   26.774    363.222   37.712    347.087   38.018    51.883  2.7233  50.702  2.8105  1.181187       3.913423 
1 1 1 1   12  23 o 39.048  1.9034  206.495   19.770    214.664   27.885    198.238   28.035    39.838  2.6280  38.258  2.7542  1.580330       3.806835 
1 1 1 1   12  24 o 32.104  1.9975  140.178   16.997    140.058   23.777    140.302   24.308    32.095  2.7937  32.113  2.8559  -0.1740646E-01 3.995080 
1 1 1 1   12  25 o 65.100  2.0663  573.365   36.023    583.785   50.823    562.844   51.067    65.702  2.8880  64.498  2.9560  1.204140       4.132607 
1 1 1 1   12  26 o 81.092  2.2347  892.414   48.518    858.485   68.240    927.097   68.995    79.518  3.2039  82.665  3.1161  -3.146927      4.469350 
1 1 1 1   12  27 o 32.659  2.0386  145.788   17.644    149.555   24.942    142.015   24.962    33.093  2.8414  32.224  2.9239  0.8695068      4.077121 
1 1 1 1   12  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   12  29 o 30.553  2.1488  128.840   17.334    133.351   24.339    124.197   24.691    31.125  2.9550  29.981  3.1204  1.143768       4.297543 
1 1 1 1   12  30 o 22.306  2.5410  71.453    14.457    81.838    19.898    59.841    21.040    24.218  3.1414  20.393  3.9948  3.824764       5.081981 
1 1 1 1   12  31 o 24.267  2.4499  83.719    15.373    91.660    21.476    75.372    22.017    25.563  3.2071  22.971  3.7046  2.592461       4.899888 
1 1 1 1   12  32 f 26.636  2.3528  100.508   16.391    103.158   22.774    97.661    23.608    27.056  3.2049  26.217  3.4454  0.8393707      4.705612 
1 1 1 1   12  33 o 16.483  2.9642  40.648    13.232    33.375    18.590    48.118    18.838    14.959  4.3675  18.007  4.0088  -3.048733      5.928321 
1 1 1 1   12  34 o 7.4529  2.3677  -5.3883   9.9144    -2.1003   13.400    -9.3651   14.737    7.6853  3.3766  7.2204  3.3202  0.4648795      4.735494 
1 1 1 1   12  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   12  36 o 13.990  2.8127  25.443    13.404    53.646    19.356    -0.5456   18.580    18.846  3.9602  9.1336  3.9953  9.712486       5.625449 
1 1 1 1   12  37 o 11.269  3.0312  15.664    12.896    21.406    17.871    9.4253    18.628    12.207  4.3435  10.331  4.2293  1.875174       6.062447 
1 1 1 1   13  0  o 151.461 3.1018  3075.68   125.794   3158.06   177.626   2992.78   178.176   153.498 4.3203  149.423 4.4519  4.074509       6.203552 
1 1 1 1   13  1  o 92.920  2.2888  1156.90   56.965    1148.90   80.324    1164.99   80.799    92.597  3.2386  93.243  3.2352  -0.6462631     4.577675 
1 1 1 1   13  2  o 411.597 7.6436  22841.85  842.602   23190.62  1191.74   22493.23  1191.49   414.760 10.727  408.435 10.891  6.325195       15.28723 
1 1 1 1   13  3  o 267.184 5.0642  9593.42   362.416   9642.78   512.538   9544.07   512.528   267.873 7.1434  266.494 7.1803  1.379303       10.12844 
1 1 1 1   13  4  o 369.315 6.9364  18406.68  686.135   18250.74  970.314   18562.64  970.369   367.739 9.8511  370.892 9.7679  -3.152954      13.87283 
1 1 1 1   13  5  o 193.844 5.3952  5071.54   278.286   4360.80   389.831   5810.10   397.390   179.897 8.0903  207.791 7.1400  -27.89363      10.79039 
1 1 1 1   13  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   13  7  o 64.517  1.9441  557.916   33.594    564.629   47.746    551.333   47.277    64.901  2.7466  64.132  2.7522  0.7688293      3.888252 
1 1 1 1   13  8  f 89.699  2.2155  1079.21   53.215    1055.12   75.446    1103.06   75.070    88.701  3.1756  90.696  3.0902  -1.995888      4.430980 
1 1 1 1   13  9  o 120.548 2.6568  1950.21   85.773    1993.35   121.561   1907.44   121.044   121.878 3.7238  119.218 3.7906  2.659492       5.313686 
1 1 1 1   13  10 o 156.809 3.2139  3303.71   134.985   3289.05   191.112   3318.30   190.685   156.460 4.5603  157.158 4.5299  -0.6976929     6.427810 
1 1 1 1   13  11 f 43.269  1.8435  251.739   21.256    262.445   30.497    241.623   29.643    44.168  2.5892  42.370  2.6249  1.797535       3.686970 
1 1 1 1   13  12 o 62.293  1.9510  520.388   32.551    517.094   46.173    523.643   45.896    62.097  2.7761  62.490  2.7421  -0.3930092     3.901987 
1 1 1 1   13  13 o 77.875  2.1540  813.559   44.913    842.687   63.755    784.865   63.280    79.261  3.0031  76.490  3.0887  2.771103       4.307942 
1 1 1 1   13  14 o 64.966  1.9980  566.125   34.764    560.125   49.305    572.056   49.022    64.623  2.8485  65.309  2.8024  -0.6862030     3.995932 
1 1 1 1   13  15 o 181.202 3.6407  4420.98   176.697   4403.33   249.835   4438.64   249.941   180.838 5.1579  181.566 5.1394  -0.7271729     7.281330 
1 1 1 1   13  16 o 81.040  2.2045  881.693   47.823    920.677   67.862    843.233   67.404    82.823  3.0590  79.256  3.1751  3.566566       4.409000 
1 1 1 1   13  17 o 48.836  1.9027  321.014   24.792    320.794   35.156    321.233   34.968    48.818  2.6991  48.853  2.6826  -0.3489304E-01 3.805455 
1 1 1 1   13  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   13  19 o 77.950  2.1745  817.047   45.400    811.732   64.168    822.374   64.242    77.695  3.0834  78.205  3.0669  -0.5093155     4.348953 
1 1 1 1   13  20 o 40.443  1.9070  220.893   20.534    227.523   29.110    214.327   28.971    41.055  2.6616  39.832  2.7319  1.222256       3.814096 
1 1 1 1   13  21 o 61.056  2.0250  501.966   33.102    481.860   46.529    522.571   47.103    59.813  2.9043  62.299  2.8228  -2.485271      4.050087 
1 1 1 1   13  22 o 65.762  2.0506  583.214   36.111    565.249   50.794    601.573   51.347    64.734  2.9295  66.791  2.8702  -2.057167      4.101231 
1 1 1 1   13  23 o 39.540  1.9185  211.915   20.196    212.303   28.494    211.524   28.628    39.578  2.7040  39.502  2.7224  0.7628632E-01  3.837078 
1 1 1 1   13  24 f 50.892  2.0347  351.330   27.613    339.461   38.872    363.420   39.232    50.013  2.9144  51.771  2.8401  -1.757450      4.069376 
1 1 1 1   13  25 o 52.757  2.0047  377.821   28.194    355.441   39.571    400.895   40.179    51.150  2.9003  54.365  2.7684  -3.215057      4.009440 
1 1 1 1   13  26 o 43.183  1.9853  253.776   22.837    249.349   32.060    258.336   32.537    42.798  2.8124  43.568  2.8030  -0.7698898     3.970671 
1 1 1 1   13  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   13  28 o 18.897  2.6661  51.194    13.011    40.267    18.264    62.451    18.539    16.712  4.1089  21.083  3.3984  -4.370760      5.332242 
1 1 1 1   13  29 o 42.603  2.0933  249.785   23.737    246.555   33.426    253.071   33.715    42.321  2.9675  42.884  2.9532  -0.5634995     4.186583 
1 1 1 1   13  30 o 23.666  2.3956  79.797    14.578    90.410    20.313    68.528    20.933    25.447  3.0405  21.886  3.7029  3.561346       4.791264 
1 1 1 1   13  31 o 9.3592  2.6256  6.3830    9.9938    1.0222    13.699    12.483    14.612    8.2692  3.5218  10.449  3.8952  -2.180026      5.251249 
1 1 1 1   13  32 f 18.946  2.7950  53.540    13.776    39.283    19.453    67.882    19.512    16.172  4.3819  21.719  3.4709  -5.546659      5.590065 
1 1 1 1   13  33 o 14.469  2.6717  27.878    12.696    0.9295    17.633    56.890    18.296    9.1902  3.9567  19.748  3.5911  -10.55803      5.343359 
1 1 1 1   13  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   13  35 o 12.165  3.0730  20.337    12.666    19.365    18.306    21.230    17.544    12.029  4.3811  12.302  4.3105  -0.2723808     6.146069 
1 1 1 1   13  36 o 16.139  3.1497  41.214    14.156    35.653    20.008    46.787    20.030    15.024  4.5671  17.254  4.3386  -2.230615      6.299360 
1 1 1 1   14  0  o 166.471 3.3124  3717.74   147.657   3804.67   208.461   3630.22   209.178   168.427 4.6209  164.514 4.7471  3.913345       6.624722 
1 1 1 1   14  1  o 55.250  1.8361  408.983   27.168    399.585   38.228    418.573   38.617    54.608  2.6136  55.891  2.5796  -1.282867      3.672182 
1 1 1 1   14  2  o 173.337 3.4608  4032.52   160.660   3958.55   226.939   4106.83   227.476   171.740 4.9334  174.933 4.8548  -3.193069      6.921559 
1 1 1 1   14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   14  4  o 88.548  3.1825  1053.84   75.241    1054.91   109.252   1052.87   103.774   88.526  4.6236  88.571  4.3743  -0.4508209E-01 6.364912 
1 1 1 1   14  5  o 99.262  2.3819  1321.43   63.325    1341.75   89.731    1301.26   89.381    100.024 3.3493  98.501  3.3878  1.522331       4.763896 
1 1 1 1   14  6  o 70.258  2.0129  661.750   37.878    670.452   53.789    653.191   53.348    70.716  2.8398  69.799  2.8535  0.9165878      4.025790 
1 1 1 1   14  7  o 60.486  1.9021  490.411   30.809    505.188   43.849    476.003   43.298    61.387  2.6669  59.586  2.7129  1.800613       3.804202 
1 1 1 1   14  8  o 107.607 2.4669  1553.71   71.098    1546.15   100.828   1561.19   100.271   107.346 3.5068  107.869 3.4705  -0.5229950     4.933738 
1 1 1 1   14  9  o 40.404  1.8237  219.705   19.625    228.268   27.969    211.401   27.543    41.185  2.5479  39.623  2.6099  1.561848       3.647373 
1 1 1 1   14  10 o 154.886 3.2210  3224.25   133.617   3180.94   189.142   3267.39   188.783   153.844 4.5901  155.928 4.5201  -2.084778      6.442065 
1 1 1 1   14  11 o 57.465  1.9511  442.690   30.024    456.014   42.847    429.836   42.084    58.315  2.7432  56.615  2.7752  1.699390       3.902187 
1 1 1 1   14  12 o 121.999 2.7145  1998.54   88.701    2019.28   125.695   1977.97   125.191   122.631 3.8267  121.368 3.8511  1.262947       5.429055 
1 1 1 1   14  13 o 46.731  1.9290  295.046   23.906    261.284   33.910    328.407   33.708    44.040  2.8907  49.423  2.5551  -5.382423      3.858068 
1 1 1 1   14  14 o 140.267 3.0318  2645.41   113.894   2694.62   161.309   2596.48   160.833   141.572 4.2539  138.962 4.3211  2.610626       6.063618 
1 1 1 1   14  15 f 89.478  2.2534  1075.76   53.945    1016.08   76.271    1135.49   76.307    86.987  3.2735  91.969  3.0977  -4.982513      4.506836 
1 1 1 1   14  16 o 34.841  1.9237  163.951   17.806    161.191   25.247    166.684   25.117    34.544  2.7515  35.138  2.6891  -0.5939331     3.847336 
1 1 1 1   14  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   14  18 o 26.389  2.1091  94.985    14.577    85.076    20.503    105.113   20.728    24.955  3.1368  27.824  2.8204  -2.869139      4.218286 
1 1 1 1   14  19 o 73.079  2.1175  718.889   41.446    726.934   58.652    710.865   58.576    73.489  2.9797  72.669  3.0094  0.8204880      4.234968 
1 1 1 1   14  20 o 13.154  2.4131  23.409    9.4579    38.920    13.459    8.2797    13.293    16.725  3.1193  9.5831  3.6826  7.141610       4.826122 
1 1 1 1   14  21 o 17.908  2.4071  45.049    11.094    39.579    15.911    50.226    15.478    16.777  3.6451  19.039  3.1449  -2.261995      4.814271 
1 1 1 1   14  22 o 87.968  2.3319  1048.09   54.945    1051.99   77.628    1044.18   77.779    88.134  3.2884  87.801  3.3073  0.3331375      4.663880 
1 1 1 1   14  23 o 78.292  2.2313  830.870   46.776    853.701   66.102    807.971   66.199    79.383  3.1089  77.201  3.2014  2.182083       4.462540 
1 1 1 1   14  24 o 12.380  2.6678  20.797    9.6947    17.327    13.331    24.691    14.124    11.478  3.7597  13.282  3.7860  -1.803706      5.335635 
1 1 1 1   14  25 o 45.394  2.0050  280.437   24.250    272.499   34.074    288.584   34.520    44.735  2.8587  46.053  2.8120  -1.318233      4.009902 
1 1 1 1   14  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   14  27 o 42.927  2.0403  252.506   23.309    256.709   32.599    248.109   33.342    43.314  2.8254  42.541  2.9443  0.7732811      4.080632 
1 1 1 1   14  28 o 22.429  2.5339  71.322    14.616    82.059    20.906    61.058    20.441    24.200  3.3122  20.657  3.8357  3.543261       5.067817 
1 1 1 1   14  29 o 41.776  2.0920  241.248   23.252    238.498   32.493    244.134   33.288    41.539  2.9394  42.012  2.9775  -0.4733124     4.183949 
1 1 1 1   14  30 o 14.421  2.7901  29.852    11.760    16.257    16.463    44.017    16.806    11.460  4.1577  17.382  3.7220  -5.921340      5.580252 
1 1 1 1   14  31 o 22.006  2.6664  70.415    15.149    70.357    21.228    70.476    21.624    22.013  3.7339  21.999  3.8075  0.1317406E-01  5.332839 
1 1 1 1   14  32 o 30.587  2.3143  132.725   18.607    120.312   25.817    146.140   26.840    29.028  3.3840  32.146  3.1580  -3.118366      4.628675 
1 1 1 1   14  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   14  34 o 11.772  2.9703  17.810    12.319    8.6671    17.573    26.643    17.273    10.167  4.1287  13.376  4.2713  -3.208996      5.940518 
1 1 1 1   14  35 o 16.900  3.1372  45.053    14.369    45.179    19.783    44.912    20.904    16.973  4.3359  16.828  4.5352  0.1447773      6.274359 
1 1 1 1   15  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   15  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   15  2  o 410.936 7.7112  22942.00  848.742   23130.07  1200.23   22753.88  1200.38   412.646 10.859  409.227 10.951  3.418457       15.42245 
1 1 1 1   15  3  o 239.312 4.6103  7713.11   295.482   7849.63   417.904   7576.63   417.845   241.441 6.4621  237.183 6.5772  4.258743       9.220578 
1 1 1 1   15  4  o 111.007 2.5233  1653.35   75.012    1617.95   106.024   1688.84   106.143   109.815 3.6046  112.199 3.5320  -2.383842      5.046561 
1 1 1 1   15  5  o 96.443  2.3450  1247.70   60.577    1246.53   85.800    1248.85   85.539    96.398  3.3230  96.489  3.3098  -0.9030151E-01 4.690075 
1 1 1 1   15  6  o 210.163 4.1954  5948.18   236.104   6115.71   334.376   5781.59   333.430   213.129 5.8574  207.197 6.0080  5.932312       8.390799 
1 1 1 1   15  7  o 176.910 3.6205  4209.19   171.555   4220.25   242.975   4198.20   242.257   177.141 5.1210  176.678 5.1192  0.4631653      7.240913 
1 1 1 1   15  8  o 125.333 2.7528  2109.13   92.408    2101.03   131.011   2117.15   130.361   125.092 3.9101  125.574 3.8758  -0.4815826     5.505511 
1 1 1 1   15  9  o 75.137  2.1119  757.232   42.501    759.215   60.362    755.283   59.853    75.235  2.9954  75.040  2.9778  0.1943741      4.223749 
1 1 1 1   15  10 o 103.073 2.4685  1426.78   68.094    1361.73   96.410    1491.52   96.190    100.723 3.5736  105.424 3.4064  -4.701569      4.937050 
1 1 1 1   15  11 o 142.289 3.0251  2720.73   115.282   2772.61   163.425   2669.33   162.644   143.643 4.2476  140.936 4.3085  2.707672       6.050246 
1 1 1 1   15  12 o 95.939  2.3560  1235.52   60.515    1285.14   85.961    1186.77   85.208    97.852  3.2798  94.026  3.3833  3.825981       4.712086 
1 1 1 1   15  13 o 96.855  2.3871  1259.60   61.926    1268.71   87.869    1250.62   87.288    97.203  3.3750  96.507  3.3768  0.6956177      4.774224 
1 1 1 1   15  14 o 87.647  2.2638  1032.81   53.063    967.869   75.093    1097.57   74.993    84.885  3.3028  90.410  3.0968  -5.525116      4.527552 
1 1 1 1   15  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   15  16 o 71.286  2.1185  683.009   40.448    690.981   57.372    675.131   57.035    71.701  2.9873  70.872  3.0046  0.8286362      4.236928 
1 1 1 1   15  17 o 68.457  2.0714  630.332   37.969    651.924   53.872    609.020   53.523    69.626  2.8887  67.288  2.9697  2.337997       4.142899 
1 1 1 1   15  18 o 78.336  2.1680  826.608   45.482    845.885   64.422    807.453   64.220    79.251  3.0349  77.421  3.0969  1.830215       4.336038 
1 1 1 1   15  19 o 33.725  1.9571  154.213   17.487    167.003   24.996    141.955   24.471    35.117  2.6777  32.334  2.8550  2.783401       3.914159 
1 1 1 1   15  20 o 47.600  1.9373  306.763   24.556    286.914   34.660    326.767   34.796    46.033  2.8247  49.167  2.6520  -3.134468      3.874509 
1 1 1 1   15  21 o 32.846  2.0015  146.771   17.436    145.492   24.569    148.069   24.749    32.700  2.8331  32.991  2.8280  -0.2912941     4.003016 
1 1 1 1   15  22 o 40.577  1.9600  223.671   21.157    213.281   29.876    234.122   29.964    39.615  2.8343  41.540  2.7079  -1.925060      3.919975 
1 1 1 1   15  23 o 38.319  1.9990  199.859   20.372    199.425   28.709    200.300   28.913    38.278  2.8200  38.359  2.8341  -0.8121872E-01 3.998066 
1 1 1 1   15  24 o 58.213  2.0487  460.521   31.859    437.095   44.785    484.523   45.332    56.659  2.9613  59.767  2.8318  -3.107838      4.097357 
1 1 1 1   15  25 o 36.938  3.4475  204.655   30.669    156.071   49.747    234.439   38.951    32.670  5.9022  41.206  3.5642  -8.536549      6.894931 
1 1 1 1   15  26 o 53.312  2.0648  389.013   29.371    387.178   41.498    390.854   41.577    53.184  2.9243  53.440  2.9157  -0.2559967     4.129527 
1 1 1 1   15  27 o 55.176  2.1186  418.700   31.190    423.763   43.998    413.585   44.222    55.525  2.9692  54.827  3.0230  0.6984940      4.237294 
1 1 1 1   15  28 o 15.957  2.8891  37.296    12.417    34.907    17.811    39.555    17.320    15.451  4.1955  16.463  3.9732  -1.012371      5.778238 
1 1 1 1   15  29 o 21.718  2.5996  67.965    14.556    73.962    20.731    62.133    20.442    22.745  3.5164  20.690  3.8297  2.054626       5.199197 
1 1 1 1   15  30 o 26.093  2.5638  98.859    16.958    123.546   24.146    74.831    23.821    29.629  3.0878  22.556  4.0936  7.073626       5.127644 
1 1 1 1   15  31 o 36.224  2.2071  185.189   21.158    197.208   29.848    173.051   29.997    37.483  2.9981  34.965  3.2398  2.518276       4.414187 
1 1 1 1   15  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   15  33 o 6.9427  2.2987  -13.1195  10.680    -14.6448  14.689    -11.4088  15.556    6.6671  3.1467  7.2183  3.3516  -0.5511518     4.597312 
1 1 1 1   15  34 o 24.382  2.7022  89.078    17.046    83.675    23.948    94.627    24.269    23.544  3.9365  25.220  3.7030  -1.676136      5.404476 
1 1 1 1   16  0  o 193.033 3.8667  5012.46   199.801   5206.18   282.256   4817.90   282.868   196.789 5.3549  189.278 5.5795  7.511429       7.733437 
1 1 1 1   16  1  o 237.248 4.5688  7582.88   290.288   7721.51   410.276   7443.91   410.784   239.433 6.3974  235.063 6.5244  4.370209       9.137527 
1 1 1 1   16  2  o 187.085 3.7294  4706.74   186.870   4764.36   264.038   4648.92   264.512   188.237 5.2369  185.932 5.3113  2.305252       7.458882 
1 1 1 1   16  3  f 218.947 4.2902  6456.22   251.582   6372.42   355.578   6540.23   356.002   217.517 6.1031  220.377 6.0311  -2.860016      8.580361 
1 1 1 1   16  4  o 76.547  2.0685  785.864   42.404    801.313   59.960    770.406   59.978    77.301  2.8959  75.793  2.9544  1.507477       4.137005 
1 1 1 1   16  5  o 224.437 4.4388  6789.66   266.838   6796.20   377.534   6783.12   377.198   224.545 6.2772  224.329 6.2776  0.2162476      8.877573 
1 1 1 1   16  6  o 130.357 2.8972  2282.16   101.154   2308.55   143.377   2256.02   142.731   131.108 4.0828  129.605 4.1115  1.502792       5.794336 
1 1 1 1   16  7  o 123.562 2.7515  2050.08   91.044    2105.33   129.162   1995.51   128.353   125.220 3.8510  121.905 3.9310  3.315979       5.502944 
1 1 1 1   16  8  o 97.522  2.3928  1276.23   62.502    1280.20   88.729    1272.33   88.058    97.672  3.3916  97.372  3.3763  0.2998886      4.785682 
1 1 1 1   16  9  o 52.762  1.9343  374.450   27.233    369.634   38.893    379.083   38.143    52.425  2.7797  53.100  2.6907  -0.6746101     3.868651 
1 1 1 1   16  10 o 237.227 4.6176  7600.97   293.402   7632.96   415.285   7569.09   414.584   237.728 6.5219  236.726 6.5385  1.001755       9.235113 
1 1 1 1   16  11 o 83.083  2.1811  927.057   48.497    886.759   68.776    966.911   68.396    81.281  3.1591  84.884  3.0083  -3.602715      4.362273 
1 1 1 1   16  12 o 141.635 3.0273  2699.23   114.845   2723.81   162.752   2674.84   162.081   142.279 4.2707  140.991 4.2919  1.288101       6.054697 
1 1 1 1   16  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   16  14 f 41.156  2.8101  224.552   30.099    262.326   48.122    200.278   38.576    43.928  4.1387  38.384  3.8022  5.544506       5.620110 
1 1 1 1   16  15 o 154.683 3.2623  3235.07   135.153   3193.54   191.249   3276.50   191.021   153.681 4.6461  155.685 4.5808  -2.004150      6.524599 
1 1 1 1   16  16 o 92.503  2.3414  1153.53   57.957    1096.78   81.976    1210.24   81.952    90.213  3.3926  94.792  3.2277  -4.579231      4.682714 
1 1 1 1   16  17 o 47.137  1.9119  299.955   24.032    308.390   34.179    291.708   33.797    47.797  2.6806  46.476  2.7269  1.321308       3.823768 
1 1 1 1   16  18 o 78.225  2.1794  825.982   45.645    856.001   64.705    796.246   64.400    79.649  3.0330  76.800  3.1306  2.849091       4.358863 
1 1 1 1   16  19 o 50.556  1.9551  345.866   26.361    359.259   37.421    332.674   37.140    51.538  2.7205  49.573  2.8086  1.965160       3.910143 
1 1 1 1   16  20 o 44.974  1.9841  274.458   23.763    285.662   33.538    263.164   33.674    45.913  2.7397  44.035  2.8707  1.877319       3.968173 
1 1 1 1   16  21 o 22.548  2.2644  70.751    13.147    60.043    18.653    81.320    18.532    20.748  3.4796  24.347  2.8988  -3.599075      4.528865 
1 1 1 1   16  22 o 79.015  2.2606  848.321   47.840    861.260   67.794    835.485   67.520    79.622  3.1789  78.409  3.2150  1.213203       4.521210 
1 1 1 1   16  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   16  24 o 35.123  2.0829  169.276   19.380    158.296   27.391    180.281   27.423    33.947  3.0449  36.300  2.8431  -2.353123      4.165895 
1 1 1 1   16  25 o 43.044  2.0870  254.308   23.821    282.991   34.105    226.983   33.287    45.472  2.8140  40.617  3.0827  4.855637       4.173927 
1 1 1 1   16  26 o 42.064  2.1163  243.939   23.661    258.414   33.660    229.800   33.266    43.333  2.9171  40.794  3.0670  2.538589       4.232687 
1 1 1 1   16  27 o 18.458  2.7998  49.605    13.516    63.962    19.529    36.405    18.726    21.163  3.5723  15.752  4.3122  5.411422       5.599662 
1 1 1 1   16  28 o 8.3751  2.4713  -2.7932   10.107    11.909    14.806    -15.6198  13.829    10.371  3.9100  6.3795  3.0236  3.991380       4.942665 
1 1 1 1   16  29 o 32.602  2.3164  150.598   19.820    168.519   28.090    132.831   27.970    34.664  3.0567  30.541  3.4814  4.123259       4.632855 
1 1 1 1   16  30 o 7.2530  2.2674  -13.4017  9.9086    7.2452    14.172    -33.1480  13.859    9.3398  3.7373  5.1661  2.5685  4.173688       4.534848 
1 1 1 1   16  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   16  32 o 15.486  2.9513  36.305    13.594    17.356    19.331    54.842    19.120    11.820  4.4650  19.151  3.8607  -7.330415      5.902636 
1 1 1 1   16  33 o 18.543  3.1036  53.836    15.194    49.433    21.263    58.429    21.719    17.699  4.4809  19.387  4.2955  -1.687408      6.207234 
1 1 1 1   17  0  o 411.117 7.7033  23052.62  848.254   22901.20  1198.87   23204.42  1200.36   409.745 10.924  412.490 10.864  -2.744263      15.40661 
1 1 1 1   17  1  o 50.303  1.8647  340.189   25.029    330.226   35.278    350.288   35.516    49.557  2.6676  51.048  2.6062  -1.491833      3.729381 
1 1 1 1   17  2  o 83.131  2.1634  926.954   48.169    927.942   67.881    925.953   68.365    83.176  3.0469  83.086  3.0719  0.9022522E-01  4.326711 
1 1 1 1   17  3  f 132.019 2.8562  2340.63   100.989   2297.82   142.617   2383.67   143.023   130.805 4.0706  133.232 4.0078  -2.426804      5.712481 
1 1 1 1   17  4  o 191.124 3.8335  4917.58   196.178   4766.62   277.212   5069.04   277.664   188.171 5.5001  194.076 5.3414  -5.905884      7.666946 
1 1 1 1   17  5  o 53.215  1.9541  380.779   27.755    386.319   39.322    375.278   39.183    53.603  2.7480  52.827  2.7790  0.7760582      3.908198 
1 1 1 1   17  6  o 189.822 3.7996  4850.85   193.164   4772.29   273.363   4929.19   272.989   188.278 5.4206  191.366 5.3259  -3.087265      7.599235 
1 1 1 1   17  7  f 25.027  2.1302  85.231    13.983    88.873    19.900    81.679    19.652    25.569  2.9605  24.484  3.0637  1.084972       4.260364 
1 1 1 1   17  8  f 209.742 4.1635  5932.36   233.894   5998.15   331.257   5866.95   330.298   210.908 5.8639  208.577 5.9122  2.331223       8.327016 
1 1 1 1   17  9  o 74.003  2.1019  734.846   41.661    736.274   59.159    733.442   58.679    74.074  2.9817  73.932  2.9632  0.1417389      4.203717 
1 1 1 1   17  10 f 103.575 2.4754  1441.39   68.662    1418.44   97.454    1464.01   96.754    102.753 3.5409  104.398 3.4601  -1.645081      4.950822 
1 1 1 1   17  11 o 50.326  1.9537  341.049   26.228    335.498   37.280    346.489   36.905    49.915  2.7997  50.736  2.7257  -0.8206711     3.907406 
1 1 1 1   17  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   17  13 o 97.933  2.4536  1290.80   64.358    1308.01   91.429    1273.90   90.610    98.581  3.4626  97.285  3.4773  1.295700       4.907261 
1 1 1 1   17  14 o 95.080  2.3806  1217.55   60.607    1260.18   86.147    1175.77   85.283    96.735  3.3248  93.426  3.4080  3.309036       4.761206 
1 1 1 1   17  15 o 65.475  2.0605  577.028   36.132    586.232   51.449    568.070   50.756    65.991  2.9107  64.960  2.9171  1.031052       4.120910 
1 1 1 1   17  16 o 67.432  2.0693  612.884   37.371    608.283   53.051    617.417   52.654    67.178  2.9484  67.687  2.9043  -0.5089874     4.138546 
1 1 1 1   17  17 o 92.370  2.3837  1154.15   58.974    1165.53   83.586    1142.87   83.218    92.826  3.3618  91.914  3.3802  0.9118881      4.767385 
1 1 1 1   17  18 o 65.682  2.1091  583.221   37.093    569.249   52.616    597.027   52.301    64.890  3.0272  66.473  2.9375  -1.582542      4.218182 
1 1 1 1   17  19 f 30.732  2.0260  128.776   16.484    128.153   23.406    129.389   23.217    30.654  2.8847  30.810  2.8455  -0.1561642     4.051944 
1 1 1 1   17  20 o 44.297  2.0094  266.774   23.700    259.927   33.811    273.388   33.229    43.722  2.9037  44.873  2.7783  -1.150352      4.018771 
1 1 1 1   17  21 f 30.709  2.1282  129.454   17.224    119.581   24.495    139.110   24.224    29.505  3.1481  31.912  2.8646  -2.406340      4.256351 
1 1 1 1   17  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   17  23 o 72.016  2.2133  708.794   42.637    752.418   60.439    665.575   60.157    74.264  3.0384  69.769  3.2191  4.495453       4.426622 
1 1 1 1   17  24 o 56.012  2.1379  430.643   31.919    456.022   45.352    405.734   44.931    57.687  2.9450  54.338  3.1000  3.348869       4.275837 
1 1 1 1   17  25 f 48.377  2.1105  322.673   27.166    345.009   38.548    300.636   38.289    50.092  2.8853  46.663  3.0808  3.428406       4.220938 
1 1 1 1   17  26 o 20.689  2.7022  61.894    14.401    56.264    20.421    67.464    20.312    19.658  4.0140  21.720  3.6189  -2.061470      5.404494 
1 1 1 1   17  27 o 36.613  2.1537  187.126   20.926    187.509   29.854    186.757   29.341    36.638  3.0705  36.588  3.0210  0.5012894E-01  4.307485 
1 1 1 1   17  28 o 8.9524  2.6539  2.4167    10.925    -3.4262   15.627    8.0014    15.278    8.1748  3.6166  9.7299  3.8850  -1.555027      5.307820 
1 1 1 1   17  29 o 25.770  2.5475  96.398    16.879    111.244   23.758    81.267    23.985    27.994  3.2276  23.547  3.9423  4.447245       5.095066 
1 1 1 1   17  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   17  31 o 8.5705  2.6136  0.2228    11.055    -4.8299   16.120    4.7096    15.190    8.0590  3.6122  9.0821  3.7782  -1.023030      5.227115 
1 1 1 1   17  32 o 13.081  2.7803  23.107    12.719    -0.9434   18.382    45.195    17.616    8.9775  3.9492  17.185  3.9145  -8.207735      5.560562 
1 1 1 1   18  0  o 179.319 3.5695  4325.02   171.439   4272.40   241.784   4378.23   243.123   178.219 5.0651  180.419 5.0310  -2.199020      7.139035 
1 1 1 1   18  1  o 153.579 3.2049  3171.10   131.785   3266.65   186.066   3074.91   186.680   155.911 4.4556  151.247 4.6081  4.662918       6.409886 
1 1 1 1   18  2  o 122.307 2.7046  2008.46   88.602    1997.49   124.978   2019.54   125.627   121.971 3.8255  122.643 3.8243  -0.6713486     5.409241 
1 1 1 1   18  3  o 128.295 2.8441  2210.94   97.717    2252.41   138.061   2169.30   138.324   129.504 3.9801  127.085 4.0636  2.419304       5.688112 
1 1 1 1   18  4  o 162.904 3.3781  3569.49   147.358   3669.29   208.453   3469.79   208.339   165.190 4.7112  160.618 4.8427  4.571716       6.756288 
1 1 1 1   18  5  o 117.983 2.6764  1869.35   84.577    1863.73   119.683   1874.96   119.537   117.805 3.7930  118.161 3.7769  -0.3557968     5.352733 
1 1 1 1   18  6  o 150.813 3.1503  3058.62   127.243   3013.24   180.056   3103.89   179.842   149.690 4.4908  151.935 4.4192  -2.244812      6.300536 
1 1 1 1   18  7  o 182.848 3.6425  4504.20   178.388   4543.55   252.618   4465.06   251.942   183.648 5.1356  182.048 5.1668  1.599594       7.284939 
1 1 1 1   18  8  o 127.089 2.7880  2171.64   94.903    2162.95   134.491   2180.26   133.936   126.833 3.9589  127.344 3.9267  -0.5106659     5.576006 
1 1 1 1   18  9  o 54.276  1.9583  396.106   28.405    386.367   40.364    405.661   39.980    53.575  2.8228  54.977  2.7150  -1.401905      3.916563 
1 1 1 1   18  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   18  11 o 8.6641  2.4575  4.6147    8.7001    6.0409    12.475    3.2641    12.140    8.9669  3.5325  8.3613  3.4176  0.6055136      4.915093 
1 1 1 1   18  12 o 68.495  2.0827  631.119   38.197    615.774   54.195    646.265   53.844    67.663  2.9903  69.327  2.8997  -1.663826      4.165344 
1 1 1 1   18  13 o 32.083  1.9856  139.673   16.870    135.180   24.173    143.938   23.555    31.564  2.8913  32.602  2.7223  -1.037634      3.971232 
1 1 1 1   18  14 o 33.873  1.9916  155.834   17.870    147.694   25.557    163.620   24.995    32.984  2.9231  34.761  2.7058  -1.777653      3.983230 
1 1 1 1   18  15 o 13.434  2.6096  25.087    9.8337    19.078    13.877    31.148    13.937    11.989  3.8285  14.879  3.5471  -2.890479      5.219134 
1 1 1 1   18  16 o 44.187  1.9527  264.413   22.995    264.396   32.634    264.430   32.408    44.184  2.7715  44.191  2.7516  -0.6576538E-02 3.905474 
1 1 1 1   18  17 o 69.344  2.1530  650.510   39.983    665.747   56.747    635.489   56.344    70.156  3.0199  68.532  3.0695  1.624069       4.305952 
1 1 1 1   18  18 o 15.304  2.5047  32.211    10.669    52.770    15.767    14.846    14.490    19.500  3.1244  11.109  3.9157  8.390162       5.009402 
1 1 1 1   18  19 o 64.458  2.1071  563.492   36.305    609.684   51.692    518.527   51.002    67.093  2.8765  61.823  3.0799  5.269363       4.214281 
1 1 1 1   18  20 o 43.696  1.9987  259.981   23.236    276.906   33.089    243.514   32.638    45.124  2.7508  42.269  2.9003  2.855335       3.997346 
1 1 1 1   18  21 o 58.153  2.1503  461.526   33.370    470.802   47.730    452.657   46.674    58.724  3.0449  57.581  3.0370  1.142963       4.300551 
1 1 1 1   18  22 o 28.904  2.2582  116.484   17.004    101.204   24.391    130.933   23.719    26.945  3.4595  30.863  2.9034  -3.917753      4.516365 
1 1 1 1   18  23 o 25.297  2.4237  89.446    15.845    105.477   23.064    75.117    21.806    27.547  3.1846  23.046  3.6544  4.500614       4.847330 
1 1 1 1   18  24 o 19.027  2.7039  52.751    13.301    67.880    18.917    37.960    18.705    21.936  3.3237  16.118  4.2659  5.817965       5.407887 
1 1 1 1   18  25 o 34.172  2.1871  163.598   19.538    192.719   27.806    135.198   27.460    37.333  2.8011  31.011  3.3596  6.321436       4.374141 
1 1 1 1   18  26 o 18.513  2.8846  50.417    13.929    56.781    20.196    44.644    19.236    19.683  3.9677  17.343  4.1882  2.340172       5.769242 
1 1 1 1   18  27 o 24.442  2.6224  86.758    16.368    69.215    22.896    105.094   23.408    21.667  4.0951  27.218  3.2767  -5.550100      5.244701 
1 1 1 1   18  28 o 33.383  2.2781  157.746   20.099    154.112   28.764    161.214   28.098    32.960  3.3026  33.806  3.1388  -0.8466949     4.556246 
1 1 1 1   18  29 o 15.251  3.0799  34.308    13.724    48.354    20.016    21.847    18.852    17.875  4.2440  12.627  4.4646  5.247827       6.159870 
1 1 1 1   18  30 o 18.109  3.0068  50.596    14.483    39.719    20.597    61.232    20.368    15.993  4.5764  20.225  3.9013  -4.232043      6.013648 
1 1 1 1   18  31 o 13.051  3.1198  25.489    13.144    19.916    19.002    30.602    18.201    12.058  4.4524  14.044  4.3715  -1.985683      6.239689 
1 1 1 1   19  0  o 126.485 2.7747  2149.61   93.951    2221.69   132.457   2076.64   133.280   128.627 3.8446  124.343 4.0018  4.283539       5.549349 
1 1 1 1   19  1  o 193.367 3.8393  5034.84   198.846   5052.34   280.676   5017.21   281.749   193.708 5.4096  193.025 5.4495  0.6822662      7.678643 
1 1 1 1   19  2  o 116.279 2.6612  1815.85   82.876    1837.95   116.924   1793.53   117.488   116.993 3.7312  115.565 3.7956  1.427956       5.322456 
1 1 1 1   19  3  o 139.181 2.9774  2603.57   110.982   2547.99   156.590   2659.67   157.317   137.684 4.2461  140.678 4.1750  -2.993668      5.954861 
1 1 1 1   19  4  o 44.774  1.9167  270.261   22.828    290.096   32.276    250.408   32.290    46.435  2.6056  43.113  2.8116  3.321899       3.833326 
1 1 1 1   19  5  o 59.745  2.0310  480.380   32.337    525.537   45.865    435.746   45.598    62.588  2.7359  56.902  3.0024  5.686085       4.061987 
1 1 1 1   19  6  o 111.251 2.5751  1663.47   76.721    1701.17   108.638   1625.96   108.362   112.512 3.6049  109.989 3.6782  2.522881       5.150221 
1 1 1 1   19  7  o 169.200 4.9223  3888.05   223.008   3777.76   310.835   4005.04   320.132   166.729 6.9603  171.670 6.9622  -4.941544      9.844685 
1 1 1 1   19  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   19  9  o 106.299 2.5469  1521.18   72.513    1533.30   102.899   1509.22   102.201   106.720 3.5998  105.878 3.6038  0.8421478      5.093706 
1 1 1 1   19  10 o 64.036  2.0664  551.428   35.438    549.938   50.503    552.874   49.740    63.949  2.9484  64.124  2.8960  -0.1751099     4.132795 
1 1 1 1   19  11 o 64.946  2.0525  567.609   35.701    563.563   50.732    571.578   50.249    64.714  2.9268  65.178  2.8783  -0.4636841     4.105005 
1 1 1 1   19  12 o 46.145  1.9537  287.608   24.034    289.694   34.276    285.591   33.710    46.308  2.7762  45.982  2.7497  0.3266144      3.907401 
1 1 1 1   19  13 o 57.566  2.0126  447.597   30.946    430.252   44.052    464.496   43.482    56.416  2.9253  58.716  2.7648  -2.300106      4.025136 
1 1 1 1   19  14 o 10.930  2.6091  14.822    9.1053    18.328    13.360    11.781    12.443    11.749  3.7570  10.111  3.6215  1.637871       5.218224 
1 1 1 1   19  15 o 15.707  2.5785  35.030    10.634    31.792    15.664    37.799    14.482    15.010  3.8710  16.405  3.4072  -1.394670      5.156930 
1 1 1 1   19  16 o 48.829  1.9805  323.190   25.772    340.948   36.761    306.026   36.142    50.163  2.7464  47.494  2.8543  2.668900       3.961030 
1 1 1 1   19  17 o 65.279  2.1110  577.270   36.906    589.984   52.343    564.701   52.044    66.000  2.9609  64.558  3.0098  1.441696       4.222039 
1 1 1 1   19  18 o 52.427  2.0478  373.618   28.637    385.924   40.788    361.656   40.215    53.288  2.8682  51.566  2.9236  1.722118       4.095670 
1 1 1 1   19  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   19  20 o 42.611  2.0455  248.514   23.071    281.772   32.991    216.684   32.275    45.466  2.7216  39.755  3.0544  5.710617       4.091004 
1 1 1 1   19  21 o 44.788  2.0798  275.727   24.731    254.360   35.246    296.450   34.712    43.018  3.0793  46.559  2.7964  -3.540333      4.159558 
1 1 1 1   19  22 o 43.930  2.1379  266.401   24.938    248.303   35.518    283.996   35.021    42.397  3.1502  45.463  2.8910  -3.065975      4.275723 
1 1 1 1   19  23 o 12.330  2.8875  19.569    11.483    28.970    16.776    11.283    15.751    14.173  4.1521  10.488  4.0137  3.684859       5.774916 
1 1 1 1   19  24 o 43.422  2.1488  262.509   24.667    298.767   35.232    227.644   34.549    46.479  2.8437  40.365  3.2224  6.114105       4.297684 
1 1 1 1   19  25 o 43.609  2.1955  265.785   25.455    279.687   36.237    252.242   35.766    44.778  3.0393  42.441  3.1692  2.336800       4.391029 
1 1 1 1   19  26 o 30.896  2.3920  135.815   19.296    155.725   27.577    116.715   27.011    33.263  3.1320  28.528  3.6161  4.735659       4.783909 
1 1 1 1   19  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   19  28 o 9.8881  2.8363  7.7410    11.718    7.0813    16.445    8.4216    16.703    9.7582  3.9818  10.018  4.0401  -0.2598448     5.672532 
1 1 1 1   19  29 o 8.8353  2.6478  -0.9980   11.445    11.778    16.792    -12.0797  15.639    10.503  4.1104  7.1674  3.3389  3.335698       5.295597 
1 1 1 1   20  0  o 80.808  2.1322  876.027   46.146    862.485   64.831    889.933   65.698    80.175  3.0190  81.441  3.0118  -1.266098      4.264380 
1 1 1 1   20  1  o 125.150 2.7393  2104.30   91.816    2064.41   129.266   2144.93   130.436   123.951 3.8935  126.350 3.8542  -2.398415      5.478542 
1 1 1 1   20  2  o 95.101  2.3431  1214.30   59.683    1204.81   84.093    1223.93   84.720    94.727  3.3144  95.475  3.3129  -0.7487259     4.686167 
1 1 1 1   20  3  o 149.874 3.1476  3023.51   126.347   2975.58   178.306   3071.86   179.060   148.677 4.4775  151.072 4.4251  -2.395218      6.295205 
1 1 1 1   20  4  o 31.820  2.0016  137.577   16.759    155.132   23.689    119.987   23.713    33.900  2.6296  29.741  3.0185  4.158194       4.003224 
1 1 1 1   20  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   20  6  o 79.488  3.1735  854.161   67.049    865.814   99.412    844.437   90.813    79.954  4.6623  79.022  4.3067  0.9311981      6.347055 
1 1 1 1   20  7  o 93.396  2.3314  1173.55   58.316    1193.63   82.636    1153.62   82.309    94.195  3.2753  92.597  3.3186  1.597740       4.662705 
1 1 1 1   20  8  o 109.135 2.5818  1605.41   75.460    1641.89   107.078   1569.42   106.359   110.372 3.6220  107.898 3.6802  2.474449       5.163628 
1 1 1 1   20  9  o 102.052 2.5346  1405.00   69.256    1455.20   98.329    1355.58   97.561    103.872 3.5342  100.233 3.6339  3.638725       5.069162 
1 1 1 1   20  10 o 165.359 3.4841  3721.53   154.303   3677.29   218.541   3765.52   217.897   164.360 4.9642  166.359 4.8901  -1.999878      6.968207 
1 1 1 1   20  11 o 76.936  2.1742  798.462   44.794    823.315   63.703    774.156   62.999    78.126  3.0442  75.746  3.1051  2.379227       4.348480 
1 1 1 1   20  12 o 89.519  2.3632  1083.96   56.661    1087.03   80.470    1080.93   79.796    89.642  3.3515  89.396  3.3326  0.2467499      4.726339 
1 1 1 1   20  13 o 23.530  2.1556  75.944    13.253    80.284    19.151    71.956    18.360    24.189  3.0218  22.871  3.0750  1.318882       4.311237 
1 1 1 1   20  14 o 25.911  2.1357  92.015    14.543    93.101    20.716    90.960    20.421    26.063  3.0237  25.759  3.0169  0.3038139      4.271357 
1 1 1 1   20  15 o 50.469  2.0124  345.538   27.049    371.995   38.676    320.207   37.844    52.384  2.7663  48.555  2.9235  3.828857       4.024870 
1 1 1 1   20  16 o 87.168  2.3610  1033.21   55.112    1063.82   78.354    1003.24   77.533    88.458  3.3070  85.878  3.3707  2.580345       4.722035 
1 1 1 1   20  17 o 12.735  3.4058  16.988    15.365    18.027    18.865    14.941    26.482    12.365  4.4560  13.105  5.1519  -0.7405319     6.811582 
1 1 1 1   20  18 f 47.390  2.0618  306.370   26.039    313.426   37.189    299.583   36.472    47.928  2.9107  46.851  2.9209  1.077187       4.123552 
1 1 1 1   20  19 o 42.840  2.0801  251.439   23.711    246.985   33.852    255.728   33.222    42.448  2.9967  43.232  2.8856  -0.7839127     4.160131 
1 1 1 1   20  20 o 43.923  2.1082  265.047   24.640    277.149   35.088    253.274   34.609    44.935  2.9314  42.912  3.0306  2.023205       4.216318 
1 1 1 1   20  21 o 14.180  2.9057  28.715    12.118    18.483    17.418    38.312    16.869    12.107  4.2903  16.254  3.9201  -4.147432      5.811489 
1 1 1 1   20  22 o 19.636  2.7711  56.550    14.039    43.668    19.962    69.159    19.749    17.210  4.3332  22.062  3.4555  -4.852295      5.542291 
1 1 1 1   20  23 o 64.442  2.2631  578.218   38.976    600.309   55.389    556.552   54.855    65.739  3.1457  63.145  3.2544  2.593475       4.526161 
1 1 1 1   20  24 o 8.6472  2.5788  2.3253    10.222    -0.1437   15.323    4.3046    13.720    8.5242  3.6791  8.7703  3.6145  -0.2461033     5.157590 
1 1 1 1   20  25 o 30.314  2.3926  130.619   19.091    127.511   26.904    133.771   27.095    29.930  3.4173  30.698  3.3497  -0.7679863     4.785179 
1 1 1 1   20  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   20  27 o 14.117  3.1414  29.791    13.300    32.690    18.705    26.826    18.915    14.698  4.4042  13.535  4.4806  1.163146       6.282751 
1 1 1 1   20  28 o 8.1106  2.3906  -17.1172  10.371    18.109    16.517    -40.0468  13.326    11.574  4.1696  4.6473  2.3397  6.926605       4.781204 
1 1 1 1   21  0  o 198.863 3.9280  5339.68   209.217   5276.88   295.095   5403.15   296.667   197.682 5.5732  200.044 5.5367  -2.362000      7.855953 
1 1 1 1   21  1  o 81.668  2.1913  895.604   47.929    878.467   67.376    913.161   68.194    80.876  3.1102  82.459  3.0876  -1.583237      4.382553 
1 1 1 1   21  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   21  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   21  4  o 113.322 2.6421  1729.62   80.186    1754.65   113.195   1704.41   113.608   114.150 3.7022  112.493 3.7705  1.657433       5.284191 
1 1 1 1   21  5  o 67.341  2.0779  609.952   37.443    576.738   52.794    643.569   53.113    65.489  3.0097  69.193  2.8658  -3.703568      4.155861 
1 1 1 1   21  6  o 58.337  1.9907  457.668   31.102    465.992   43.977    449.339   43.993    58.869  2.7890  57.804  2.8415  1.065899       3.981483 
1 1 1 1   21  7  o 60.999  2.0396  500.871   33.315    488.829   47.171    512.855   47.058    60.263  2.9224  61.734  2.8459  -1.471249      4.079139 
1 1 1 1   21  8  o 52.411  1.9625  370.777   27.444    382.769   39.074    359.101   38.556    53.253  2.7487  51.568  2.8019  1.685135       3.925056 
1 1 1 1   21  9  o 54.098  2.0109  395.501   29.020    412.343   41.273    379.032   40.813    55.248  2.7982  52.948  2.8887  2.299828       4.021786 
1 1 1 1   21  10 o 67.350  2.0851  612.210   37.614    617.147   53.375    607.340   53.015    67.620  2.9470  67.080  2.9507  0.5400925      4.170245 
1 1 1 1   21  11 f 83.794  2.2880  950.416   51.344    937.566   72.844    963.103   72.382    83.222  3.2679  84.365  3.2032  -1.143478      4.575954 
1 1 1 1   21  12 o 40.643  1.9709  224.183   21.321    223.323   30.467    225.008   29.846    40.560  2.8220  40.727  2.7522  -0.1666908     3.941849 
1 1 1 1   21  13 o 50.675  2.0592  348.538   27.827    350.264   39.770    346.882   38.949    50.792  2.9358  50.557  2.8883  0.2355423      4.118368 
1 1 1 1   21  14 o 30.353  2.1533  126.091   17.267    128.922   24.647    123.363   24.197    30.692  3.0380  30.013  3.0525  0.6784515      4.306628 
1 1 1 1   21  15 o 53.023  2.0984  382.801   29.671    375.824   42.287    389.566   41.642    52.531  3.0181  53.515  2.9161  -0.9840469     4.196743 
1 1 1 1   21  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   21  17 o 28.520  2.2602  112.683   16.918    106.220   24.269    118.793   23.596    27.673  3.3419  29.367  3.0440  -1.694366      4.520475 
1 1 1 1   21  18 o 27.196  2.3456  103.200   16.665    95.592    23.837    110.475   23.309    26.146  3.4909  28.246  3.1337  -2.100241      4.691149 
1 1 1 1   21  19 o 31.728  2.2112  139.323   18.534    145.892   26.748    133.257   25.704    32.456  3.1151  30.999  3.1391  1.457634       4.422404 
1 1 1 1   21  20 o 45.992  2.1470  293.303   26.190    267.073   37.312    318.776   36.770    43.873  3.1971  48.111  2.8664  -4.237366      4.293904 
1 1 1 1   21  21 f 38.667  2.1764  208.369   22.301    194.298   31.657    222.231   31.421    37.303  3.1993  40.030  2.9514  -2.726231      4.352740 
1 1 1 1   21  22 o 17.543  2.7415  45.526    13.658    77.088    19.640    15.965    19.007    23.327  3.2299  11.758  4.4307  11.56903       5.483049 
1 1 1 1   21  23 o 7.0694  2.2802  -8.1599   9.6469    -4.0958   13.540    -12.3496  13.748    7.4966  3.3388  6.6423  3.1063  0.8542800      4.560303 
1 1 1 1   21  24 o 40.366  2.2617  229.212   24.241    238.448   34.844    220.549   33.745    41.165  3.1849  39.566  3.2119  1.599472       4.523309 
1 1 1 1   21  25 o 15.583  3.1710  37.039    14.051    31.711    20.894    41.438    18.985    14.604  4.7014  16.562  4.2564  -1.958630      6.341956 
1 1 1 1   21  26 o 12.720  3.0735  22.012    13.070    12.331    18.255    32.194    18.720    10.875  4.2766  14.566  4.4154  -3.691555      6.146980 
1 1 1 1   21  27 f 29.793  2.6058  131.384   20.203    117.268   28.694    145.262   28.451    27.997  3.9350  31.589  3.4170  -3.592211      5.211514 
1 1 1 1   22  0  o 71.588  3.0836  701.642   58.118    620.348   85.605    771.149   79.156    67.612  4.7573  75.565  3.9244  -7.953606      6.167105 
1 1 1 1   22  1  o 59.977  1.9775  483.215   31.765    477.789   44.555    488.823   45.299    59.635  2.7894  60.318  2.8038  -0.6836739     3.954998 
1 1 1 1   22  2  o 49.506  1.9329  330.297   25.529    324.375   35.942    336.326   36.266    49.055  2.7465  49.956  2.7206  -0.9011230     3.865883 
1 1 1 1   22  3  o 58.626  1.9796  462.119   31.084    457.113   43.908    467.148   44.010    58.307  2.8115  58.945  2.7875  -0.6384850     3.959101 
1 1 1 1   22  4  o 65.015  2.0400  568.754   35.515    550.858   50.015    586.954   50.439    63.980  2.9186  66.050  2.8510  -2.070194      4.080013 
1 1 1 1   22  5  o 116.230 2.6966  1826.18   83.949    1833.66   118.618   1818.67   118.825   116.472 3.8022  115.989 3.8247  0.4833221      5.393111 
1 1 1 1   22  6  o 68.715  2.0749  636.336   38.188    628.910   53.913    643.814   54.099    68.311  2.9465  69.119  2.9221  -0.8082428     4.149804 
1 1 1 1   22  7  o 114.694 2.6854  1782.79   82.486    1820.37   116.853   1745.47   116.452   115.911 3.7638  113.477 3.8313  2.433372       5.370789 
1 1 1 1   22  8  o 52.263  1.9797  369.515   27.607    377.809   39.084    361.256   39.000    52.855  2.7704  51.670  2.8287  1.184834       3.959382 
1 1 1 1   22  9  o 20.287  2.3428  57.174    12.210    66.873    17.577    48.130    16.974    22.035  3.0608  18.538  3.5476  3.497204       4.685502 
1 1 1 1   22  10 o 88.383  2.3644  1059.66   55.950    1025.57   79.212    1093.59   79.038    86.946  3.4014  89.821  3.2852  -2.875610      4.728848 
1 1 1 1   22  11 o 65.621  2.1449  583.115   37.698    591.422   53.557    574.958   53.071    66.086  3.0257  65.156  3.0410  0.9300003      4.289795 
1 1 1 1   22  12 o 52.169  2.0624  369.625   28.697    381.924   40.957    357.765   40.219    53.030  2.8945  51.309  2.9387  1.720596       4.124797 
1 1 1 1   22  13 o 90.045  2.4260  1104.82   58.511    1106.58   83.042    1103.08   82.454    90.112  3.4405  89.978  3.4213  0.1341095      4.852047 
1 1 1 1   22  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   22  15 o 27.466  2.3213  104.346   16.706    112.672   24.035    96.564    23.238    28.562  3.1965  26.370  3.3668  2.191753       4.642513 
1 1 1 1   22  16 o 38.164  2.1350  199.969   21.624    211.964   30.959    188.542   30.217    39.305  2.9625  37.022  3.0750  2.282215       4.269928 
1 1 1 1   22  17 o 8.9661  2.6091  4.0493    10.092    2.5686    14.845    5.3214    13.760    8.8843  3.7188  9.0479  3.6606  -0.1636229     5.218211 
1 1 1 1   22  18 o 20.588  2.6861  60.425    14.228    70.226    20.881    51.931    19.439    22.226  3.6330  18.950  3.9575  3.275902       5.372181 
1 1 1 1   22  19 o 60.102  2.2225  500.951   35.639    490.292   50.727    511.339   50.082    59.433  3.1984  60.771  3.0869  -1.338287      4.445049 
1 1 1 1   22  20 o 42.999  2.1969  258.031   25.084    242.767   35.649    272.998   35.302    41.671  3.2189  44.327  2.9908  -2.656380      4.393880 
1 1 1 1   22  21 o 29.101  2.3993  121.114   18.081    102.602   25.900    138.712   25.253    26.729  3.7184  31.473  3.0332  -4.743731      4.798615 
1 1 1 1   22  22 o 19.499  2.8643  56.331    14.492    67.620    20.726    45.532    20.272    21.581  3.7197  17.416  4.3566  4.165356       5.728585 
1 1 1 1   22  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   22  24 o 17.366  3.2051  46.180    15.062    47.868    21.689    44.607    20.932    17.663  4.5548  17.068  4.5106  0.5949650      6.410285 
1 1 1 1   22  25 o 17.358  3.0975  46.523    14.410    44.511    20.367    48.539    20.389    16.957  4.4342  17.759  4.3263  -0.8028793     6.195031 
1 1 1 1   23  0  o 86.848  2.2599  1016.25   52.533    1050.94   73.906    980.815   74.687    88.358  3.1228  85.338  3.2675  3.019691       4.519774 
1 1 1 1   23  1  o 73.449  2.0969  726.128   41.248    723.058   57.884    729.296   58.794    73.293  2.9485  73.604  2.9822  -0.3112259     4.193762 
1 1 1 1   23  2  o 28.832  1.9929  113.132   15.138    123.794   21.479    102.611   21.338    30.216  2.6819  27.448  2.9486  2.768047       3.985822 
1 1 1 1   23  3  o 117.058 2.7025  1854.31   84.732    1844.80   119.450   1863.94   120.213   116.757 3.8196  117.360 3.8242  -0.6027679     5.404979 
1 1 1 1   23  4  o 69.057  2.1093  643.191   39.010    629.476   55.005    657.070   55.333    68.312  3.0062  69.801  2.9596  -1.488968      4.218557 
1 1 1 1   23  5  o 80.185  2.2186  868.613   47.650    874.141   67.360    863.077   67.413    80.443  3.1263  79.927  3.1489  0.5157166      4.437251 
1 1 1 1   23  6  o 113.241 2.6675  1741.28   80.908    1727.16   114.321   1755.44   114.522   112.777 3.7846  113.706 3.7603  -0.9296112     5.335029 
1 1 1 1   23  7  o 103.386 2.5253  1450.99   69.929    1437.53   98.902    1464.45   98.886    102.900 3.5884  103.872 3.5542  -0.9723892     5.050674 
1 1 1 1   23  8  o 100.303 2.4793  1366.46   66.609    1364.08   94.299    1368.82   94.098    100.213 3.5131  100.393 3.4994  -0.1797028     4.958601 
1 1 1 1   23  9  o 54.119  2.0550  397.473   29.678    396.359   42.146    398.569   41.797    54.040  2.9226  54.199  2.8896  -0.1588707     4.109941 
1 1 1 1   23  10 o 63.415  2.1320  545.278   36.190    570.309   51.365    520.602   50.998    64.875  2.9560  61.954  3.0732  2.920872       4.264087 
1 1 1 1   23  11 o 138.188 3.1356  2632.24   116.057   2639.27   164.438   2625.26   163.823   138.370 4.4368  138.006 4.4319  0.3634033      6.271102 
1 1 1 1   23  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   23  13 o 37.059  2.1319  188.257   20.972    186.231   29.875    190.226   29.448    36.850  3.0544  37.268  2.9749  -0.4178314     4.263704 
1 1 1 1   23  14 o 34.234  2.1335  161.364   19.330    155.974   27.805    166.405   26.890    33.645  3.1209  34.822  2.9097  -1.177490      4.266908 
1 1 1 1   23  15 o 20.882  2.5970  62.135    13.921    52.217    19.567    72.299    19.809    19.062  3.9617  22.702  3.3590  -3.640375      5.194031 
1 1 1 1   23  16 f 33.022  2.2260  151.667   19.384    141.042   27.716    161.841   27.121    31.822  3.2997  34.222  2.9888  -2.400312      4.452053 
1 1 1 1   23  17 o 94.647  2.5726  1250.22   65.199    1225.08   92.653    1274.89   91.763    93.646  3.6939  95.649  3.5818  -2.003036      5.145288 
1 1 1 1   23  18 o 16.868  2.9251  41.687    13.481    27.684    18.690    56.872    19.463    13.925  4.4426  19.811  3.8062  -5.885989      5.850103 
1 1 1 1   23  19 o 46.654  2.2060  304.378   27.318    278.907   38.709    329.652   38.559    44.611  3.2622  48.698  2.9704  -4.087025      4.411934 
1 1 1 1   23  20 o 12.796  2.8181  19.731    12.368    40.475    17.853    0.5868    17.151    16.514  4.0638  9.0782  3.9054  7.435554       5.636181 
1 1 1 1   23  21 o 12.421  3.0896  20.598    12.774    18.265    17.803    23.074    18.340    11.945  4.3251  12.897  4.4131  -0.9525833     6.179166 
1 1 1 1   23  22 o 43.859  2.3278  272.329   27.144    276.595   38.416    268.075   38.358    44.222  3.2664  43.496  3.3175  0.7257500      4.655618 
1 1 1 1   23  23 o 11.249  3.0748  13.467    13.456    6.2590    19.265    20.334    18.802    10.187  4.2478  12.312  4.4468  -2.124634      6.149628 
1 1 1 1   23  24 o 8.8473  2.6919  1.5062    11.523    -0.7889   17.259    3.3523    15.479    8.7829  3.8460  8.9116  3.7673  -0.1286764     5.383710 
1 1 1 1   24  0  o 50.286  1.9082  341.531   25.600    344.338   35.871    338.619   36.547    50.503  2.6612  50.069  2.7355  0.4335823      3.816380 
1 1 1 1   24  1  f 85.921  2.2589  996.870   51.982    987.462   73.071    1006.51   73.966    85.511  3.1903  86.330  3.1988  -0.8189316     4.517740 
1 1 1 1   24  2  o 52.303  1.9477  369.698   27.180    356.906   38.062    383.009   38.827    51.373  2.7764  53.232  2.7323  -1.858738      3.895377 
1 1 1 1   24  3  o 29.948  2.0684  124.733   15.792    158.932   22.308    90.382    22.358    34.264  2.4468  25.632  3.3355  8.631746       4.136754 
1 1 1 1   24  4  o 31.309  2.0286  134.281   16.644    154.905   23.544    113.676   23.533    33.788  2.6220  28.829  3.0962  4.959532       4.057248 
1 1 1 1   24  5  o 39.898  1.9920  216.218   21.118    201.968   29.711    230.767   30.022    38.546  2.8990  41.249  2.7327  -2.702999      3.983966 
1 1 1 1   24  6  o 112.300 2.6638  1717.72   80.121    1698.41   113.207   1737.10   113.409   111.659 3.7852  112.941 3.7489  -1.282837      5.327502 
1 1 1 1   24  7  o 21.540  2.3719  64.734    13.111    53.809    18.383    76.045    18.705    19.579  3.6393  23.501  3.0430  -3.922131      4.743868 
1 1 1 1   24  8  o 29.931  2.1252  122.666   16.805    121.268   23.779    124.061   23.754    29.755  3.0258  30.108  2.9849  -0.3529358     4.250305 
1 1 1 1   24  9  o 18.420  2.6378  49.540    12.576    66.505    17.484    31.352    18.103    21.926  3.0605  14.915  4.2971  7.010983       5.275534 
1 1 1 1   24  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   24  11 o 83.280  2.3279  948.028   51.909    978.931   73.525    917.317   73.297    84.659  3.2425  81.902  3.3412  2.756859       4.655859 
1 1 1 1   24  12 o 11.994  2.8199  18.144    11.035    9.6342    15.564    26.747    15.649    10.238  3.9708  13.750  4.0050  -3.511959      5.639783 
1 1 1 1   24  13 o 56.964  2.1871  445.628   33.236    460.768   47.422    431.013   46.593    57.929  3.0672  55.999  3.1188  1.930298       4.374269 
1 1 1 1   24  14 o 36.560  2.1816  184.839   21.156    184.440   30.299    185.218   29.553    36.505  3.1290  36.615  3.0408  -0.1101799     4.363213 
1 1 1 1   24  15 o 18.532  2.9489  50.195    14.299    54.680    20.317    45.792    20.129    19.402  4.0407  17.663  4.2960  1.739132       5.897708 
1 1 1 1   24  16 o 18.592  2.8543  50.567    13.810    53.397    19.648    47.803    19.415    19.140  3.9629  18.044  4.1090  1.096214       5.708666 
1 1 1 1   24  17 f 24.047  2.6109  83.051    16.273    85.573    23.007    80.526    23.019    24.448  3.6230  23.646  3.7604  0.8022766      5.221723 
1 1 1 1   24  18 o 24.622  2.6432  87.669    16.820    81.813    24.210    93.132    23.385    23.712  3.9508  25.533  3.5124  -1.820471      5.286438 
1 1 1 1   24  19 f 34.168  2.3949  165.268   21.549    182.872   30.976    148.760   29.997    36.019  3.2456  32.317  3.5225  3.702240       4.789780 
1 1 1 1   24  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   24  21 o 50.499  2.2921  361.108   30.835    360.623   43.890    361.581   43.331    50.445  3.2659  50.553  3.2168  -0.1082764     4.584104 
1 1 1 1   24  22 o 45.827  2.3034  299.948   28.087    302.809   40.010    297.167   39.438    46.035  3.2660  45.618  3.2489  0.4175949      4.606761 
1 1 1 1   25  0  o 23.487  2.1537  76.181    13.126    67.235    18.709    84.853    18.421    22.057  3.2655  24.918  2.8090  -2.860828      4.307475 
1 1 1 1   25  1  o 91.484  2.3535  1134.14   57.667    1125.34   80.995    1143.18   82.124    91.127  3.3183  91.840  3.3385  -0.7130585     4.707075 
1 1 1 1   25  2  o 20.738  2.3943  60.175    12.537    41.996    17.254    80.513    18.249    17.235  3.8362  24.242  2.8660  -7.006420      4.788605 
1 1 1 1   25  3  o 17.898  2.4798  45.336    11.433    33.434    16.001    57.751    16.342    15.367  3.8853  20.429  3.0824  -5.061594      4.959508 
1 1 1 1   25  4  o 10.876  2.6378  13.743    9.6744    21.532    13.810    6.2368    13.557    12.519  3.7918  9.2321  3.6680  3.286775       5.275614 
1 1 1 1   25  5  o 52.728  2.0341  377.704   28.610    387.098   40.395    368.248   40.527    53.399  2.8344  52.058  2.9183  1.341183       4.068190 
1 1 1 1   25  6  o 57.891  2.0538  454.932   31.789    445.931   44.808    464.053   45.105    57.272  2.9308  58.510  2.8781  -1.238361      4.107673 
1 1 1 1   25  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   25  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   25  9  o 22.333  2.4654  69.950    14.250    72.915    20.034    66.914    20.275    22.852  3.3745  21.814  3.5953  1.038515       4.930876 
1 1 1 1   25  10 o 11.241  2.8249  15.330    10.726    17.583    15.040    12.999    15.300    11.682  3.9964  10.800  3.9937  0.8821783      5.649820 
1 1 1 1   25  11 o 31.641  2.2486  138.677   18.792    136.455   26.740    140.844   26.414    31.372  3.2283  31.909  3.1309  -0.5371170     4.497120 
1 1 1 1   25  12 o 12.673  2.8953  22.032    11.215    20.118    15.691    24.031    16.035    12.240  4.0823  13.106  4.1069  -0.8664112     5.790693 
1 1 1 1   25  13 o 7.4242  2.3060  -8.3272   9.6951    5.5663    13.580    -22.7700  13.846    9.0109  3.6398  5.8375  2.8325  3.173370       4.612070 
1 1 1 1   25  14 f 9.7696  2.7308  8.2588    10.577    9.0622    14.630    7.3790    15.309    9.8420  3.8407  9.6972  3.8830  0.1447954      5.461591 
1 1 1 1   25  15 o 28.493  2.4644  115.102   18.411    118.586   26.257    111.732   25.822    28.935  3.4563  28.051  3.5139  0.8841648      4.928799 
1 1 1 1   25  16 o 14.331  2.9612  29.833    12.906    15.387    18.713    42.937    17.822    11.605  4.3908  17.057  3.9745  -5.451984      5.922468 
1 1 1 1   25  17 o 20.448  2.9370  61.887    15.538    52.889    21.692    71.369    22.268    18.783  4.3904  22.113  3.9022  -3.330145      5.873941 
1 1 1 1   25  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   25  19 o 20.015  3.0795  60.771    16.065    68.606    22.498    52.619    22.949    21.501  4.0552  18.528  4.6356  2.973047       6.159025 
1 1 1 1   25  20 o 15.509  3.2790  37.001    14.667    36.132    21.457    37.763    20.094    15.341  4.7416  15.677  4.5304  -0.3352156     6.558007 
1 1 1 1   25  21 o 15.683  3.2606  38.699    14.674    34.804    21.285    42.227    20.257    14.945  4.7382  16.422  4.4806  -1.477330      6.521244 
1 1 1 1   26  0  o 62.822  2.0207  533.827   33.997    526.488   47.622    541.454   48.550    62.384  2.8500  63.261  2.8653  -0.8770142     4.041377 
1 1 1 1   26  1  o 54.998  1.9908  409.615   29.264    395.865   40.905    424.030   41.884    54.012  2.8374  55.984  2.7932  -1.971786      3.981568 
1 1 1 1   26  2  o 30.914  2.0468  130.659   16.733    133.550   23.344    127.603   23.999    31.285  2.8160  30.543  2.9712  0.7424889      4.093608 
1 1 1 1   26  3  o 6.0147  1.9906  -12.1920  8.0187    -16.5193  10.850    -6.9838   11.903    5.3239  2.5644  6.7054  3.0454  -1.381493      3.981269 
1 1 1 1   26  4  f 44.881  1.9834  274.227   23.706    262.143   33.472    286.386   33.578    43.869  2.8644  45.892  2.7442  -2.022453      3.966787 
1 1 1 1   26  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   26  6  o 52.331  2.0708  373.749   28.909    375.800   40.879    371.697   40.889    52.478  2.9198  52.184  2.9373  0.2938957      4.141590 
1 1 1 1   26  7  o 32.998  2.1354  149.736   18.656    154.776   26.456    144.751   26.312    33.567  2.9733  32.428  3.0657  1.139179       4.270720 
1 1 1 1   26  8  o 46.779  2.0923  300.125   26.070    307.457   36.702    292.659   37.036    47.377  2.9063  46.181  3.0106  1.196030       4.184513 
1 1 1 1   26  9  o 39.227  2.1498  212.566   22.308    234.444   31.559    190.719   31.537    41.320  2.8693  37.133  3.2021  4.186642       4.299556 
1 1 1 1   26  10 o 37.717  2.1379  196.543   21.415    196.538   30.098    196.549   30.475    37.724  3.0036  37.710  3.0430  0.1374817E-01  4.275748 
1 1 1 1   26  11 o 33.895  2.2447  160.115   20.035    141.737   28.067    179.208   28.608    31.825  3.3425  35.965  2.9970  -4.139977      4.489359 
1 1 1 1   26  12 o 26.359  2.5207  100.186   16.870    77.552    24.077    122.016   23.645    23.139  4.0313  29.578  3.0272  -6.439133      5.041341 
1 1 1 1   26  13 f 21.941  2.7246  70.243    15.252    53.762    21.344    87.441    21.802    19.051  4.2864  24.831  3.3647  -5.779800      5.449265 
1 1 1 1   26  14 o 19.103  2.9119  54.649    14.603    71.154    20.625    38.056    20.679    22.246  3.5831  15.960  4.5911  6.285833       5.823769 
1 1 1 1   26  15 o 45.164  2.2873  286.606   27.461    272.956   38.780    300.335   38.891    44.030  3.3126  46.299  3.1549  -2.269016      4.574536 
1 1 1 1   26  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   26  17 o 39.986  2.3598  226.729   25.034    234.629   35.885    219.239   34.940    40.677  3.3226  39.294  3.3519  1.383564       4.719647 
1 1 1 1   26  18 o 12.532  3.1433  20.215    13.769    9.9163    19.284    30.923    19.665    10.708  4.3331  14.357  4.5546  -3.649076      6.286520 
1 1 1 1   26  19 o 14.463  3.3357  31.967    14.856    30.722    21.173    33.174    20.849    14.239  4.7418  14.687  4.6929  -0.4481401     6.671486 
1 1 1 1   27  0  o 47.974  1.9789  312.899   25.284    292.357   35.418    334.247   36.106    46.345  2.8673  49.602  2.7281  -3.257149      3.957727 
1 1 1 1   27  1  o 24.606  3.3731  86.506    20.601    86.413    25.623    86.675    34.644    24.793  3.9942  24.418  5.4367  0.3748436      6.746190 
1 1 1 1   27  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   27  3  o 8.0145  2.4359  -0.6055   9.4104    0.2688    12.811    -1.6302   13.869    7.9945  3.4054  8.0345  3.4839  -0.3997755E-01 4.871755 
1 1 1 1   27  4  o 8.6086  2.4843  2.1598    9.5092    -6.1028   13.574    10.122    13.325    7.3508  3.3033  9.8664  3.7114  -2.515649      4.968536 
1 1 1 1   27  5  o 71.770  2.2158  704.981   42.589    714.763   60.023    695.063   60.439    72.288  3.1000  71.253  3.1669  1.035576       4.431599 
1 1 1 1   27  6  o 32.102  2.2074  142.680   18.673    156.077   26.533    129.533   26.284    33.656  2.9739  30.548  3.2629  3.108080       4.414817 
1 1 1 1   27  7  o 61.119  2.1755  513.791   35.502    483.670   50.051    544.291   50.364    59.232  3.1662  63.007  2.9843  -3.775497      4.351007 
1 1 1 1   27  8  o 15.178  2.7238  31.820    12.754    57.514    18.230    7.1910    17.848    20.099  3.5143  10.257  4.1624  9.842038       5.447536 
1 1 1 1   27  9  o 30.528  2.2249  130.261   17.811    113.983   24.978    147.099   25.404    28.491  3.3363  32.565  2.9444  -4.074007      4.449735 
1 1 1 1   27  10 f 10.701  2.8096  12.245    11.018    19.192    15.774    5.6274    15.397    11.976  4.0928  9.4251  3.8502  2.551203       5.619193 
1 1 1 1   27  11 o 13.415  2.8434  24.613    12.152    8.6358    17.279    40.250    17.094    10.282  4.1223  16.548  3.9174  -6.266103      5.686771 
1 1 1 1   27  12 o 19.519  2.9733  56.672    15.098    62.735    21.126    50.344    21.584    20.707  3.9531  18.331  4.4425  2.375837       5.946677 
1 1 1 1   27  13 o 14.415  2.6866  26.126    12.644    0.8556    17.095    56.647    18.787    9.0970  3.9058  19.734  3.6900  -10.63688      5.373215 
1 1 1 1   27  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   27  15 o 22.792  2.9298  77.596    17.067    59.069    23.898    96.881    24.382    19.683  4.6132  25.901  3.6128  -6.218054      5.859508 
1 1 1 1   27  16 o 8.1714  2.5275  -9.1966   11.661    9.1568    16.484    -27.5835  16.499    10.087  4.0327  6.2555  3.0481  3.831822       5.055093 
1 1 1 1   27  17 o 21.281  3.0965  69.486    17.065    61.916    24.010    77.214    24.259    19.953  4.5883  22.608  4.1593  -2.654995      6.192914 
1 1 1 1   28  0  o 16.396  2.7898  38.331    12.221    29.769    16.904    47.708    17.689    14.480  4.1466  18.312  3.7331  -3.831562      5.579511 
1 1 1 1   28  1  o 63.947  2.0884  557.593   35.765    549.344   50.091    566.171   51.083    63.467  2.9466  64.426  2.9602  -0.9593048     4.176747 
1 1 1 1   28  2  o 61.728  2.1038  520.802   34.764    536.533   48.936    504.774   49.395    62.694  2.9141  60.762  3.0351  1.932442       4.207597 
1 1 1 1   28  3  o 39.372  2.1124  213.580   21.884    177.988   30.443    251.638   31.480    35.877  3.2017  42.867  2.7564  -6.989773      4.224708 
1 1 1 1   28  4  o 25.413  2.4281  91.274    15.779    71.897    22.097    111.436   22.540    22.467  3.8081  28.359  3.0136  -5.892044      4.856235 
1 1 1 1   28  5  o 27.919  2.2328  108.621   16.402    109.889   23.185    107.350   23.207    28.091  3.1349  27.746  3.1801  0.3451099      4.465518 
1 1 1 1   28  6  o 45.372  2.0827  284.322   25.166    275.866   35.506    292.857   35.674    44.673  2.9845  46.071  2.9058  -1.397770      4.165459 
1 1 1 1   28  7  o 24.974  2.4579  88.691    15.914    96.944    22.385    80.257    22.630    26.255  3.2528  23.694  3.6856  2.561270       4.915744 
1 1 1 1   28  8  o 9.1066  2.6609  3.9326    10.616    0.4299    14.680    7.7733    15.372    8.4567  3.6248  9.7565  3.8965  -1.299788      5.321834 
1 1 1 1   28  9  o 44.077  2.1849  271.210   25.614    260.336   36.202    282.110   36.244    43.151  3.1541  45.002  3.0244  -1.851639      4.369823 
1 1 1 1   28  10 o 13.443  2.9698  25.151    12.348    15.092    17.119    36.061    17.829    11.307  4.2158  15.579  4.1840  -4.271672      5.939593 
1 1 1 1   28  11 o 9.3666  2.6160  3.0337    10.589    -9.2535   14.361    17.673    15.676    7.1462  3.2829  11.587  4.0737  -4.440677      5.231936 
1 1 1 1   28  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   28  13 o 7.9708  2.5495  -7.3694   11.715    -3.7243   16.443    -11.1265  16.694    8.3294  3.6961  7.6122  3.5125  0.7172203      5.098910 
1 1 1 1   28  14 o 28.218  2.7060  117.046   19.627    137.253   27.831    97.052    27.684    30.921  3.4175  25.516  4.1966  5.405497       5.412093 
1 1 1 1   28  15 o 37.767  2.4248  205.608   24.223    192.068   33.908    219.720   34.616    36.418  3.5200  39.115  3.3359  -2.696712      4.849609 
1 1 1 1   29  0  o 41.961  2.0949  242.102   23.361    225.795   32.624    259.265   33.469    40.479  3.0309  43.443  2.8928  -2.963940      4.189840 
1 1 1 1   29  1  o 44.073  2.0467  266.972   24.009    253.123   33.484    281.627   34.445    42.877  2.9331  45.269  2.8554  -2.391453      4.093479 
1 1 1 1   29  2  o 39.958  2.0760  220.480   22.046    224.837   30.798    215.901   31.573    40.393  2.8651  39.523  3.0049  0.8701210      4.151948 
1 1 1 1   29  3  o 24.310  2.4259  83.497    15.355    81.926    21.567    85.112    21.866    24.069  3.4435  24.550  3.4180  -0.4806614     4.851836 
1 1 1 1   29  4  o 57.913  2.1443  465.357   33.044    508.465   46.506    421.404   46.960    60.772  2.8571  55.053  3.1984  5.718651       4.288643 
1 1 1 1   29  5  o 29.353  2.3108  121.024   17.843    114.747   24.745    127.822   25.752    28.540  3.2978  30.165  3.2379  -1.625439      4.621639 
1 1 1 1   29  6  o 11.300  2.8630  14.634    11.346    6.7976    15.401    23.936    16.778    9.5891  3.8752  13.010  4.2155  -3.421125      5.726068 
1 1 1 1   29  7  o 14.856  2.9543  32.196    12.434    24.471    17.118    40.824    18.091    13.122  4.2586  16.590  4.0958  -3.467727      5.908525 
1 1 1 1   29  8  o 9.6315  2.7506  5.8094    11.361    13.208    15.660    -2.4104   16.507    10.726  4.0257  8.5368  3.7492  2.189460       5.501150 
1 1 1 1   29  9  o 13.047  3.0429  23.796    12.430    19.059    17.126    29.069    18.070    12.017  4.2546  14.077  4.3514  -2.060120      6.085743 
1 1 1 1   29  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   29  11 o 13.177  3.1859  24.127    13.759    31.013    19.492    17.288    19.425    14.432  4.5291  11.921  4.4818  2.510209       6.371741 
1 1 1 1   29  12 o 19.342  3.0247  56.891    15.356    44.382    21.444    70.058    22.002    16.956  4.6033  21.729  3.9248  -4.772991      6.049335 
1 1 1 1   29  13 o 31.894  2.4970  147.672   20.844    129.640   28.956    167.063   30.028    29.724  3.7183  34.064  3.3338  -4.339554      4.994040 
1 1 1 1   30  0  o 27.387  2.4342  107.944   16.862    133.833   23.595    80.924    24.105    31.066  2.8680  23.708  3.9340  7.358074       4.868422 
1 1 1 1   30  1  o 12.257  2.6552  13.997    11.636    -6.9253   15.482    41.158    17.640    7.7654  3.5051  16.749  3.9892  -8.983207      5.310339 
1 1 1 1   30  2  o 30.871  2.2468  133.605   18.305    129.199   25.483    138.302   26.312    30.339  3.1833  31.404  3.1715  -1.065386      4.493539 
1 1 1 1   30  3  o 37.968  2.1629  201.311   21.798    192.781   30.582    210.118   31.077    37.123  3.1041  38.813  3.0129  -1.689922      4.325874 
1 1 1 1   30  4  o 9.0705  2.6062  1.1660    10.361    -8.3044   13.438    15.048    16.270    6.9685  3.1918  11.173  4.1209  -4.204135      5.212434 
1 1 1 1   30  5  o 19.579  2.9148  59.044    15.046    82.381    20.870    33.786    21.712    24.044  3.3299  15.114  4.7848  8.930569       5.829506 
1 1 1 1   30  6  o 19.672  2.7696  57.100    14.066    61.476    19.626    52.479    20.170    20.553  3.7012  18.790  4.1211  1.763430       5.539134 
1 1 1 1   30  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   30  8  o 21.084  2.8562  65.820    15.536    60.899    21.747    70.949    22.203    20.204  4.1572  21.963  3.9179  -1.759775      5.712459 
1 1 1 1   30  9  o 17.098  3.1509  44.994    14.864    55.363    20.694    33.943    21.363    19.197  4.1458  14.999  4.7460  4.197585       6.301764 
1 1 1 1   30  10 o 23.827  2.8515  84.526    17.544    81.630    24.458    87.595    25.178    23.388  4.0511  24.266  4.0141  -0.8781376     5.703043 
1 1 1 1   30  11 o 20.850  3.1226  67.249    16.894    71.173    23.619    63.138    24.174    21.597  4.2344  20.103  4.5904  1.493456       6.245131 
1 1 1 1   31  0  o 12.518  3.0085  18.184    12.827    5.5278    17.014    34.850    19.524    9.7302  4.0191  15.307  4.4779  -5.576486      6.017056 
1 1 1 1   31  1  o 32.304  2.2854  147.568   19.448    155.865   27.129    138.796   27.893    33.325  3.0740  31.283  3.3828  2.042402       4.570829 
1 1 1 1   31  2  o 27.141  2.4404  105.266   17.315    108.128   24.154    102.240   24.836    27.578  3.3379  26.703  3.5611  0.8754005      4.880900 
1 1 1 1   31  3  o 26.305  2.5027  99.104    17.056    85.332    23.581    114.213   24.700    24.260  3.7499  28.350  3.3153  -4.089720      5.005320 
1 1 1 1   31  4  f 12.405  5.2929  7.0781    31.041    0.0000    0.0000    7.0781    31.041    ?       ?       12.405  5.2929  ?              ?        
1 1 1 1   31  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   31  6  o 24.499  2.7809  89.134    17.176    63.929    23.932    115.909   24.666    20.506  4.4823  28.491  3.2929  -7.985418      5.561859 
1 1 1 1   31  7  f 13.797  3.1362  28.356    13.212    31.168    17.858    24.955    19.637    14.377  4.3023  13.217  4.5644  1.159794       6.272428 
1 1 1 1   31  8  o 23.553  2.8180  82.875    17.043    70.176    23.687    96.506    24.541    21.472  4.2689  25.634  3.6798  -4.162317      5.636006 
1 1 1 1   31  9  o 10.769  2.9733  12.111    12.758    19.302    17.696    4.3287    18.409    11.882  4.3106  9.6556  4.0966  2.226125       5.946660 
1 1 1 1   32  0  o 20.032  2.8378  58.467    14.657    45.544    19.608    74.833    22.066    17.406  4.2441  22.658  3.7682  -5.252150      5.675510 
1 1 1 1   32  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   32  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 1   32  3  o 10.736  2.8467  11.272    12.099    23.238    16.406    -2.9988   17.916    12.708  4.1712  8.7639  3.8750  3.944216       5.693421 
1 1 1 1   32  4  o 28.805  2.5295  121.057   18.902    133.705   26.252    107.440   27.238    30.580  3.2551  27.031  3.8728  3.549109       5.059062 
1 1 1 1   32  5  o 20.843  2.9504  65.698    16.026    37.771    21.722    99.054    23.740    15.588  4.7631  26.097  3.4832  -10.50877      5.900856 
1 1 1 1   32  6  o 23.676  2.9351  86.134    17.730    97.837    24.344    72.914    25.874    25.765  3.6280  21.586  4.6148  4.178568       5.870201 
1 1 1 1   33  0  o 14.035  3.1032  29.639    13.579    38.893    18.069    17.630    20.583    16.007  4.1719  12.064  4.5951  3.943618       6.206458 
1 1 1 1   33  1  o 22.719  2.9685  78.163    17.323    82.474    23.690    73.208    25.397    23.586  3.8852  21.852  4.4892  1.733971       5.936932 
1 1 1 1   33  2  o 18.331  3.1719  52.429    15.392    54.149    20.582    50.247    23.185    18.819  4.1908  17.842  4.7625  0.9773197      6.343828 
1 1 1 1   33  3  o 9.9597  2.8807  6.4658    12.290    0.0516    16.228    15.092    18.819    8.6251  3.7543  11.294  4.3703  -2.669181      5.761455 
1 1 1 1   34  0  o 26.920  2.5666  106.905   17.953    95.007    24.598    120.467   26.262    25.216  3.7567  28.624  3.4982  -3.408571      5.133243 
1 1 1 2   -37 13 o 10.866  3.1102  13.434    13.726    14.129    22.479    13.021    17.332    11.266  4.6329  10.466  4.1507  0.8005190      6.220315 
1 1 1 2   -37 14 o 10.923  3.0127  12.739    14.298    -9.9806   23.307    26.448    18.105    8.9357  4.1327  12.911  4.3849  -3.975455      6.025466 
1 1 1 2   -37 15 o 9.2016  2.8732  0.8142    13.583    0.1809    21.918    1.2091    17.307    9.5887  4.2606  8.8145  3.8559  0.7742081      5.746302 
1 1 1 2   -37 16 o 32.735  2.9776  169.744   24.023    231.999   34.878    113.551   33.137    39.455  3.3315  26.015  4.9360  13.43943       5.955119 
1 1 1 2   -37 17 o 19.693  3.4694  65.272    18.296    79.804    27.427    53.621    24.559    21.777  4.8288  17.608  4.9830  4.168472       6.938807 
1 1 1 2   -37 18 o 17.544  3.4902  54.866    18.239    33.999    27.279    71.737    24.528    14.231  5.3186  20.858  4.5209  -6.626942      6.980425 
1 1 1 2   -37 19 o 8.3346  2.7233  -14.6831  14.026    5.2161    22.653    -27.0536  17.861    10.182  4.4339  6.4869  3.1632  3.695378       5.446573 
1 1 1 2   -37 20 o 12.263  3.3746  21.676    16.465    10.782    25.387    29.585    21.631    11.123  4.7673  13.403  4.7776  -2.279720      6.749263 
1 1 1 2   -37 21 o 18.639  3.6790  62.397    18.975    63.527    28.807    61.530    25.219    18.543  5.4432  18.735  4.9509  -0.1919956     7.357992 
1 1 1 2   -37 22 o 16.143  3.7807  47.349    18.817    55.014    29.356    42.002    24.516    16.999  5.5798  15.287  5.1030  1.711729       7.561357 
1 1 1 2   -37 23 o 13.864  3.2292  21.339    16.618    66.201    26.584    -7.4393   21.292    19.130  5.0964  8.5976  3.9670  10.53248       6.458404 
1 1 1 2   -36 6  o 9.8916  2.8843  7.6024    12.853    -6.1606   21.532    15.222    16.021    9.0025  4.0914  10.781  4.0666  -1.778315      5.768609 
1 1 1 2   -36 7  o 14.879  3.0885  36.309    15.034    10.565    23.568    53.972    19.521    11.153  4.6781  18.605  4.0336  -7.451898      6.176972 
1 1 1 2   -36 8  o 10.043  2.9061  9.2151    12.185    5.4081    20.549    11.280    15.132    10.085  4.3049  10.001  3.9052  0.8467102E-01  5.812280 
1 1 1 2   -36 9  o 19.623  3.2844  61.034    16.865    69.831    25.951    54.602    22.190    20.777  4.7647  18.470  4.5218  2.307148       6.568815 
1 1 1 2   -36 10 o 8.3366  2.3650  -2.5637   10.566    -43.7741  18.894    16.189    12.745    5.9716  2.9738  10.702  3.6783  -4.730000      4.730021 
1 1 1 2   -36 11 o 7.6943  2.4717  -4.0907   9.9660    -9.3650   19.663    -2.2675   11.561    8.3773  3.8459  7.0112  3.1058  1.366113       4.943367 
1 1 1 2   -36 12 o 14.226  3.2864  29.500    14.566    44.424    22.916    19.382    18.868    16.528  4.8558  11.923  4.4299  4.604428       6.572880 
1 1 1 2   -36 13 o 9.1608  2.7310  -11.3453  12.480    21.938    20.879    -29.8466  15.567    12.529  4.6589  5.7926  2.8508  6.736547       5.461920 
1 1 1 2   -36 14 o 9.7248  2.9168  2.2150    12.987    14.399    21.304    -4.9915   16.384    11.429  4.5791  8.0208  3.6144  3.408052       5.833676 
1 1 1 2   -36 15 o 15.358  3.5107  37.613    16.375    43.205    24.851    33.321    21.770    16.204  5.1178  14.511  4.8070  1.692851       7.021375 
1 1 1 2   -36 16 o 24.018  3.1294  90.844    19.295    83.747    28.224    97.071    26.436    22.838  4.7680  25.198  4.0545  -2.359585      6.258808 
1 1 1 2   -36 17 o 14.376  3.4042  29.034    16.473    51.517    25.012    11.812    21.892    17.622  5.0434  11.129  4.5737  6.493638       6.808392 
1 1 1 2   -36 18 o 13.912  3.4710  28.290    16.108    40.662    25.204    19.747    20.943    15.693  5.1710  12.131  4.6317  3.561290       6.942044 
1 1 1 2   -36 19 o 16.927  3.6913  47.581    18.470    57.915    27.554    39.147    24.890    18.445  5.2977  15.409  5.1417  3.036099       7.382629 
1 1 1 2   -36 20 o 17.310  3.5767  49.135    17.772    63.414    26.889    38.058    23.682    19.414  5.1035  15.206  5.0126  4.208743       7.153464 
1 1 1 2   -36 21 o 17.817  3.5430  53.651    17.651    50.222    25.908    56.620    24.114    17.156  5.1930  18.479  4.8212  -1.322279      7.085974 
1 1 1 2   -36 22 o 10.846  3.0828  8.7525    15.458    -15.6407  24.077    25.858    20.161    8.7259  4.0902  12.966  4.6135  -4.239894      6.165586 
1 1 1 2   -36 23 o 14.429  3.3934  24.701    18.166    65.034    27.810    -5.3188   23.993    19.361  5.2364  9.4976  4.3174  9.863809       6.786747 
1 1 1 2   -36 24 o 8.3440  2.7680  -13.6691  15.268    -17.7641  24.861    -11.1893  19.347    8.6721  4.0932  8.0160  3.7273  0.6561241      5.535997 
1 1 1 2   -36 25 o 14.802  3.5978  37.560    18.756    17.031    28.764    52.744    24.738    12.216  5.1482  17.388  5.0272  -5.172692      7.195599 
1 1 1 2   -36 26 o 15.516  3.6333  42.895    18.245    30.352    26.755    53.797    24.945    13.598  5.2247  17.435  5.0503  -3.836671      7.266548 
1 1 1 2   -36 27 o 24.740  3.4334  109.956   22.014    62.978    31.541    154.576   30.740    17.981  5.7751  31.499  3.7149  -13.51765      6.866724 
1 1 1 2   -36 28 o 35.266  2.9556  201.914   27.158    230.309   39.328    176.031   37.549    38.006  3.9196  32.527  4.4247  5.479206       5.911126 
1 1 1 2   -36 29 o 16.191  3.8636  50.649    20.187    66.011    30.043    38.005    27.257    18.181  5.6093  14.201  5.3147  3.980348       7.727260 
1 1 1 2   -35 2  o 16.838  3.1299  41.557    15.691    74.974    24.239    17.451    20.587    21.915  4.2828  11.761  4.5654  10.15457       6.259814 
1 1 1 2   -35 3  o 7.5529  2.4334  -9.7507   11.500    -29.0797  18.976    1.4709    14.458    6.7585  3.2878  8.3474  3.5882  -1.588832      4.866700 
1 1 1 2   -35 4  o 14.291  3.3304  31.454    14.661    33.515    22.475    29.927    19.343    14.642  4.8859  13.941  4.5270  0.7006779      6.660769 
1 1 1 2   -35 5  o 9.9674  2.8913  6.9064    12.802    -3.6139   19.759    14.517    16.807    9.0156  4.0230  10.919  4.1539  -1.903704      5.782698 
1 1 1 2   -35 6  o 10.516  2.9611  9.8140    12.199    17.553    20.150    5.3364    15.328    11.868  4.5404  9.1634  3.8023  2.704725       5.922163 
1 1 1 2   -35 7  o 21.088  3.1539  71.088    17.200    53.972    25.906    84.580    23.000    18.279  5.0987  23.897  3.7139  -5.618807      6.307862 
1 1 1 2   -35 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -35 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -35 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -35 11 o 11.599  2.8827  6.6051    12.335    40.007    21.489    -9.8071   15.063    15.979  4.7044  7.2189  3.3329  8.760019       5.765396 
1 1 1 2   -35 12 o 10.626  2.7600  10.775    12.293    -15.0836  20.217    25.944    15.484    8.0996  3.7808  13.153  4.0218  -5.053426      5.519958 
1 1 1 2   -35 13 o 42.284  2.3352  258.049   26.058    229.718   37.154    285.476   36.557    39.782  3.5233  44.786  3.0659  -5.004307      4.670438 
1 1 1 2   -35 14 o 14.741  3.1268  28.241    14.659    57.046    23.082    8.7685    18.978    19.085  4.5747  10.396  4.2638  8.689888       6.253633 
1 1 1 2   -35 15 o 14.443  3.2930  27.622    15.781    52.612    24.108    8.8883    20.874    18.155  4.8610  10.731  4.4436  7.424181       6.585926 
1 1 1 2   -35 16 o 18.928  3.3629  57.678    17.215    47.024    25.302    66.862    23.491    17.054  5.1251  20.803  4.3555  -3.749861      6.725837 
1 1 1 2   -35 17 o 37.427  2.4424  203.603   24.162    218.879   34.572    189.017   33.781    38.892  3.3515  35.961  3.5537  2.930962       4.884743 
1 1 1 2   -35 18 o 34.786  2.5851  178.081   23.720    177.298   33.869    178.835   33.230    34.670  3.7045  34.903  3.6065  -0.2330551     5.170153 
1 1 1 2   -35 19 o 19.012  3.0612  55.331    16.589    94.392    24.622    22.862    22.449    25.147  3.7719  12.877  4.8224  12.27030       6.122334 
1 1 1 2   -35 20 o 8.5566  2.6643  -6.9896   13.204    -33.1491  21.402    9.0873    16.778    7.1282  3.4730  9.9850  4.0414  -2.856841      5.328610 
1 1 1 2   -35 21 o 26.895  3.0095  110.783   20.916    120.938   30.466    101.728   28.768    28.143  4.1675  25.646  4.3429  2.497307       6.019074 
1 1 1 2   -35 22 o 18.072  3.5840  51.935    19.045    78.776    28.547    30.407    25.566    22.006  4.9616  14.139  5.1732  7.867534       7.168000 
1 1 1 2   -35 23 o 19.525  3.5981  63.044    19.016    69.595    27.749    57.243    26.110    20.506  5.0787  18.544  5.0984  1.962246       7.196268 
1 1 1 2   -35 24 o 26.090  3.2113  107.026   21.503    127.148   31.614    89.702    29.335    28.645  4.2493  23.535  4.8158  5.110132       6.422516 
1 1 1 2   -35 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -35 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -35 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -35 28 o 29.635  3.1347  140.251   23.953    162.995   35.303    120.848   32.606    32.108  4.2061  27.162  4.6490  4.946072       6.269367 
1 1 1 2   -35 29 o 13.035  3.4749  25.127    18.038    4.7341    27.396    40.735    23.967    10.798  4.7821  15.273  5.0430  -4.474987      6.949889 
1 1 1 2   -35 30 o 20.067  3.7398  72.581    20.428    83.810    30.142    63.042    27.780    21.596  5.2597  18.537  5.3180  3.058765       7.479681 
1 1 1 2   -35 31 o 8.0947  2.7283  -20.8766  16.769    -38.5120  26.030    -8.3651   21.925    7.5706  3.7180  8.6188  3.9939  -1.048195      5.456632 
1 1 1 2   -35 32 o 20.974  3.7418  82.358    21.347    104.900   31.641    63.525    28.921    24.028  5.0755  17.920  5.4994  6.107534       7.483572 
1 1 1 2   -35 33 o 14.221  3.7771  40.348    19.453    42.002    28.862    38.971    26.332    14.367  5.4488  14.074  5.2323  0.2925482      7.554275 
1 1 1 2   -34 0  o 13.915  2.7666  20.665    13.622    58.960    20.837    -7.9133   18.000    19.655  4.0911  8.1757  3.7254  11.47887       5.533134 
1 1 1 2   -34 1  o 8.6287  2.6719  -2.4222   11.725    5.1581    18.168    -7.8332   15.349    9.7555  4.1004  7.5018  3.4268  2.253631       5.343762 
1 1 1 2   -34 2  o 9.0169  2.7335  2.1477    11.592    0.0054    18.760    3.4710    14.744    9.2503  4.0313  8.7835  3.6930  0.4668226      5.467091 
1 1 1 2   -34 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -34 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -34 5  o 16.296  3.1717  41.286    14.321    36.207    21.888    45.088    18.937    15.358  4.7960  17.234  4.1516  -1.875926      6.343318 
1 1 1 2   -34 6  o 30.978  2.3782  137.270   19.377    147.092   28.482    128.807   26.439    32.009  3.3728  29.947  3.3537  2.062094       4.756396 
1 1 1 2   -34 7  o 10.293  2.9603  6.1245    12.590    17.442    20.823    -0.3968   15.806    12.053  4.6145  8.5323  3.7095  3.520816       5.920625 
1 1 1 2   -34 8  o 28.619  2.4858  117.677   18.578    131.850   27.571    105.890   25.143    30.232  3.4675  27.006  3.5629  3.226336       4.971677 
1 1 1 2   -34 9  o 15.976  3.1360  36.965    14.318    56.012    22.115    23.219    18.787    19.127  4.4073  12.825  4.4626  6.301271       6.272043 
1 1 1 2   -34 10 o 24.436  2.8678  88.137    17.752    117.987   26.390    63.466    23.991    28.546  3.5265  20.325  4.5234  8.220591       5.735594 
1 1 1 2   -34 11 o 17.631  3.1967  47.780    15.063    49.449    22.968    46.520    19.954    17.813  4.7333  17.448  4.2978  0.3647842      6.393346 
1 1 1 2   -34 12 o 13.814  3.1882  27.509    13.423    34.085    21.012    22.975    17.448    14.951  4.7041  12.677  4.3045  2.273848       6.376338 
1 1 1 2   -34 13 o 35.657  2.3486  182.402   22.110    174.059   31.853    190.160   30.715    34.761  3.4674  36.552  3.1686  -1.791679      4.697137 
1 1 1 2   -34 14 o 19.653  3.1967  60.367    16.548    49.988    24.302    69.338    22.594    17.811  4.9277  21.496  4.0734  -3.684998      6.393396 
1 1 1 2   -34 15 o 17.582  3.2295  47.282    15.235    53.944    23.382    42.368    20.082    18.591  4.6946  16.574  4.4361  2.017422       6.458994 
1 1 1 2   -34 16 o 40.086  2.3489  230.459   24.896    253.180   35.426    208.287   34.996    42.174  3.1590  37.998  3.4770  4.176880       4.697774 
1 1 1 2   -34 17 o 15.388  3.4261  36.435    15.715    40.327    23.434    33.254    21.185    16.034  4.9553  14.742  4.7327  1.291697       6.852282 
1 1 1 2   -34 18 o 11.807  3.1764  15.220    14.057    26.457    21.650    7.0321    18.482    13.528  4.7843  10.086  4.1794  3.441839       6.352699 
1 1 1 2   -34 19 o 36.602  2.4759  194.918   23.590    233.473   33.808    158.335   32.932    40.432  3.1466  32.773  3.8235  7.659691       4.951776 
1 1 1 2   -34 20 o 26.256  2.9386  105.270   19.677    91.548    28.959    117.037   26.818    24.281  4.6216  28.232  3.6307  -3.950617      5.877164 
1 1 1 2   -34 21 o 26.895  2.9248  109.268   20.372    115.722   29.046    103.019   28.580    27.768  4.0224  26.021  4.2471  1.746716       5.849563 
1 1 1 2   -34 22 o 15.698  3.5019  39.190    16.994    27.482    24.605    49.869    23.499    13.768  5.0693  17.629  4.8326  -3.860366      7.003704 
1 1 1 2   -34 23 o 26.318  2.9294  105.561   19.927    100.306   28.495    110.591   27.878    25.532  4.3208  27.104  3.9567  -1.572124      5.858784 
1 1 1 2   -34 24 o 31.067  2.7570  145.022   22.300    161.023   31.715    129.376   31.362    32.980  3.6516  29.155  4.1317  3.825008       5.514054 
1 1 1 2   -34 25 o 26.375  3.1911  110.287   21.423    89.708    30.827    129.510   29.794    23.437  5.0589  29.313  3.8909  -5.875465      6.382121 
1 1 1 2   -34 26 o 17.340  3.6761  50.433    18.419    50.618    26.452    50.259    25.661    17.344  5.2466  17.335  5.1504  0.8626938E-02  7.352144 
1 1 1 2   -34 27 o 14.496  3.5490  33.165    17.759    17.721    26.431    45.875    23.977    12.381  5.0495  16.611  4.9884  -4.230229      7.098052 
1 1 1 2   -34 28 o 9.9215  3.0094  -0.8461   15.777    -24.1992  23.831    17.375    21.050    8.1279  3.8850  11.715  4.5971  -3.587214      6.018894 
1 1 1 2   -34 29 o 22.320  3.3953  86.285    20.584    44.972    29.653    124.705   28.596    16.064  5.6055  28.575  3.8328  -12.51049      6.790570 
1 1 1 2   -34 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -34 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -34 32 o 16.912  3.6920  52.745    19.621    33.386    29.323    68.439    26.402    14.035  5.4484  19.790  4.9837  -5.755626      7.383934 
1 1 1 2   -34 33 o 11.300  3.1963  7.8324    17.698    -28.3861  26.492    37.027    23.785    8.1808  3.9569  14.419  5.0209  -6.238201      6.392692 
1 1 1 2   -34 34 o 47.136  2.6400  351.206   32.742    406.101   47.152    300.092   45.500    51.210  3.4579  43.063  3.9901  8.147678       5.279902 
1 1 1 2   -34 35 o 9.1110  3.0030  -7.6673   18.084    -16.2871  27.066    -0.7163   24.306    8.7634  4.1753  9.4585  4.3173  -0.6950874     6.006043 
1 1 1 2   -33 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -33 1  o 24.513  2.6737  87.563    16.717    110.032   24.547    68.129    22.829    27.687  3.3802  21.338  4.1436  6.348810       5.347409 
1 1 1 2   -33 2  o 10.186  2.8095  10.574    11.138    5.2766    17.654    14.077    14.355    9.7521  4.0664  10.620  3.8778  -0.8674784     5.618961 
1 1 1 2   -33 3  o 30.015  2.4407  128.634   19.043    153.863   27.945    106.763   26.019    32.910  3.2112  27.121  3.6765  5.788319       4.881447 
1 1 1 2   -33 4  o 12.437  2.9010  17.491    12.097    37.618    19.073    3.9455    15.647    15.750  4.3684  9.1236  3.8183  6.626424       5.801931 
1 1 1 2   -33 5  o 26.938  2.5167  105.077   17.616    99.085    25.647    110.428   24.238    26.077  3.7822  27.799  3.3210  -1.721722      5.033305 
1 1 1 2   -33 6  o 46.177  2.1494  299.319   26.422    312.566   38.060    286.995   36.709    47.174  3.0281  45.180  3.0514  1.994026       4.298853 
1 1 1 2   -33 7  o 34.253  2.2738  165.445   20.528    186.754   30.063    146.831   28.098    36.381  3.1151  32.124  3.3131  4.257191       4.547563 
1 1 1 2   -33 8  o 30.200  2.3832  129.656   18.915    139.409   27.671    121.100   25.915    31.282  3.3548  29.119  3.3859  2.163069       4.766440 
1 1 1 2   -33 9  o 16.563  3.0636  41.634    13.699    39.109    20.895    43.537    18.142    16.051  4.6143  17.075  4.0313  -1.023952      6.127267 
1 1 1 2   -33 10 o 8.7414  2.6819  -0.9582   11.303    3.6211    18.443    -3.7130   14.305    9.7335  4.1133  7.7493  3.4426  1.984188       5.363871 
1 1 1 2   -33 11 o 42.483  2.1916  253.579   24.762    259.069   35.421    248.332   34.630    42.934  3.1011  42.033  3.0978  0.9012871      4.383243 
1 1 1 2   -33 12 o 12.355  2.9864  21.321    11.949    15.273    19.502    24.956    15.120    11.635  4.4630  13.075  3.9692  -1.440203      5.972714 
1 1 1 2   -33 13 o 19.804  2.9970  60.063    15.471    44.483    22.624    73.748    21.203    17.056  4.7673  22.552  3.6335  -5.496593      5.994079 
1 1 1 2   -33 14 o 11.288  3.0687  13.400    12.922    18.694    20.198    9.7317    16.812    12.282  4.5793  10.293  4.0863  1.988631       6.137378 
1 1 1 2   -33 15 f 12.771  2.5262  21.816    11.978    -13.4238  19.171    44.378    15.340    8.0685  3.7374  17.474  3.3999  -9.405560      5.052453 
1 1 1 2   -33 16 o 17.402  2.8536  41.990    15.197    84.364    22.726    7.7190    20.438    24.134  3.6279  10.669  4.4058  13.46506       5.707280 
1 1 1 2   -33 17 o 11.000  3.0896  11.052    13.516    15.923    20.674    7.4155    17.862    11.877  4.5849  10.123  4.1425  1.753763       6.179116 
1 1 1 2   -33 18 o 46.469  2.2114  304.493   27.351    293.532   38.542    315.612   38.820    45.586  3.1764  47.351  3.0775  -1.764626      4.422710 
1 1 1 2   -33 19 o 25.845  2.8879  99.980    19.044    83.927    27.560    114.649   26.345    23.521  4.5389  28.169  3.5719  -4.648094      5.775844 
1 1 1 2   -33 20 o 28.682  2.6985  120.166   20.121    133.852   28.906    107.300   28.026    30.402  3.6210  26.963  4.0021  3.439472       5.397083 
1 1 1 2   -33 21 o 23.146  3.0851  81.354    18.353    97.492    26.281    65.994    25.640    25.677  3.9477  20.615  4.7422  5.062389       6.170278 
1 1 1 2   -33 22 o 6.5104  2.2447  -28.1846  12.103    -23.5435  19.369    -31.1577  15.502    7.2791  3.4855  5.7416  2.8295  1.537464       4.489417 
1 1 1 2   -33 23 o 12.546  3.3008  20.060    15.023    27.755    21.815    13.120    20.719    13.763  4.8076  11.330  4.5241  2.433619       6.601545 
1 1 1 2   -33 24 o 12.304  3.2838  17.753    15.715    3.1260    23.071    30.415    21.464    10.438  4.5097  14.170  4.7746  -3.732356      6.567613 
1 1 1 2   -33 25 o 21.172  3.3301  70.485    18.398    78.623    26.862    63.295    25.250    22.401  4.6300  19.943  4.7876  2.458336       6.660231 
1 1 1 2   -33 26 o 11.971  3.3044  17.363    15.416    12.540    23.251    21.147    20.593    11.506  4.7194  12.436  4.6264  -0.9302235     6.608838 
1 1 1 2   -33 27 o 22.688  3.2348  82.699    19.212    121.484   27.749    46.991    26.625    28.550  3.7168  16.825  5.2955  11.72516       6.469654 
1 1 1 2   -33 28 o 19.275  3.6104  62.240    19.009    56.040    28.254    67.368    25.695    18.159  5.4065  20.392  4.7864  -2.232708      7.220788 
1 1 1 2   -33 29 o 12.633  3.3128  19.858    16.933    -5.5350   26.199    38.073    22.190    9.9829  4.5278  15.283  4.8371  -5.300047      6.625587 
1 1 1 2   -33 30 o 13.690  3.3914  25.065    16.733    48.484    24.955    5.9337    22.555    16.943  5.0893  10.437  4.4839  6.506498       6.782795 
1 1 1 2   -33 31 o 11.675  3.3796  14.875    16.678    18.839    25.464    11.897    22.071    12.311  4.9801  11.040  4.5702  1.271149       6.759298 
1 1 1 2   -33 32 o 34.520  2.6961  181.875   24.473    195.108   35.357    169.706   33.907    35.808  3.7417  33.231  3.8826  2.576118       5.392135 
1 1 1 2   -33 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -33 34 o 13.533  5.4104  29.242    29.671    0.0000    0.0000    29.242    29.671    ?       ?       13.533  5.4104  ?              ?        
1 1 1 2   -33 35 o 24.353  3.4130  103.821   21.319    88.969    31.562    116.284   28.913    21.969  5.4015  26.737  4.1736  -4.767574      6.826094 
1 1 1 2   -33 36 o 7.2905  2.5065  -27.7431  15.605    -34.0581  22.763    -22.1434  21.435    7.0982  3.4842  7.4827  3.6043  -0.3844771     5.013033 
1 1 1 2   -33 37 o 12.171  3.2503  12.328    18.128    54.280    26.239    -25.9863  25.076    16.482  5.2645  7.8604  3.8136  8.621843       6.500637 
1 1 1 2   -32 0  o 27.571  2.4827  108.755   17.841    122.055   26.019    96.953    24.510    29.239  3.3849  25.902  3.6328  3.337822       4.965314 
1 1 1 2   -32 1  o 12.877  2.7673  23.112    11.732    5.4665    17.403    37.813    15.884    9.7657  4.0518  15.989  3.7704  -6.223104      5.534666 
1 1 1 2   -32 2  o 33.004  2.2476  153.559   19.611    160.091   28.320    147.542   27.182    33.684  3.1765  32.324  3.1807  1.359352       4.495234 
1 1 1 2   -32 3  o 26.974  2.4457  103.686   17.238    111.026   25.058    97.091    23.750    27.906  3.4242  26.042  3.4930  1.864285       4.891417 
1 1 1 2   -32 4  o 29.067  2.3438  119.858   17.885    117.143   25.878    122.341   24.747    28.690  3.4360  29.444  3.1888  -0.7541409     4.687663 
1 1 1 2   -32 5  o 33.405  2.2260  156.143   19.584    177.471   28.574    137.250   26.894    35.624  3.0232  31.186  3.2682  4.437971       4.452007 
1 1 1 2   -32 6  o 75.535  2.2545  794.521   45.587    832.370   65.358    758.659   63.618    77.315  3.1560  73.754  3.2203  3.560677       4.509009 
1 1 1 2   -32 7  o 26.949  2.4678  102.900   17.344    107.981   25.740    98.676    23.472    27.527  3.5756  26.372  3.4022  1.155214       4.935570 
1 1 1 2   -32 8  o 28.223  2.4549  113.032   18.118    111.634   26.446    114.269   24.873    27.994  3.6112  28.453  3.3265  -0.4589157     4.909815 
1 1 1 2   -32 9  o 12.512  3.0463  19.232    12.512    30.187    19.476    11.532    16.327    14.438  4.5266  10.587  4.0780  3.850926       6.092628 
1 1 1 2   -32 10 o 37.284  2.1922  193.738   21.681    202.874   31.074    185.072   30.264    38.161  3.0659  36.407  3.1341  1.754333       4.384358 
1 1 1 2   -32 11 o 55.384  2.1487  425.649   31.751    426.356   45.193    424.959   44.618    55.419  3.0564  55.350  3.0210  0.6863022E-01  4.297398 
1 1 1 2   -32 12 o 23.661  2.7501  80.538    16.764    91.204    24.333    70.902    23.129    25.252  3.7080  22.069  4.0623  3.182320       5.500137 
1 1 1 2   -32 13 o 30.589  2.4054  131.846   19.364    137.514   27.694    126.424   27.086    31.257  3.3607  29.921  3.4424  1.335257       4.810830 
1 1 1 2   -32 14 o 13.352  2.9995  24.453    12.020    31.615    18.607    19.324    15.747    14.710  4.3892  11.995  4.0893  2.715548       5.998967 
1 1 1 2   -32 15 o 14.532  3.0000  31.272    13.508    12.950    20.787    44.665    17.773    11.593  4.5622  17.471  3.8970  -5.878246      6.000019 
1 1 1 2   -32 16 o 32.954  2.3664  153.275   20.464    135.694   28.918    170.911   28.963    30.938  3.5542  34.969  3.1251  -4.031462      4.732744 
1 1 1 2   -32 17 o 18.466  3.0056  50.520    14.819    67.171    21.361    35.072    20.575    21.524  3.8464  15.409  4.6196  6.114635       6.011285 
1 1 1 2   -32 18 o 29.330  2.5227  122.389   19.353    133.333   27.686    111.932   27.062    30.693  3.4262  27.967  3.7038  2.725904       5.045481 
1 1 1 2   -32 19 o 38.203  2.2889  205.106   23.142    221.902   32.920    188.695   32.540    39.827  3.1106  36.579  3.3587  3.248089       4.577860 
1 1 1 2   -32 20 o 35.756  2.3625  180.483   22.341    190.728   31.905    170.628   31.292    36.796  3.2714  34.716  3.4093  2.079781       4.724946 
1 1 1 2   -32 21 o 24.332  2.9277  86.799    18.261    104.461   26.600    71.055    25.114    26.878  3.8008  21.786  4.4542  5.092632       5.855417 
1 1 1 2   -32 22 o 48.734  2.2002  333.595   28.544    346.473   40.191    320.488   40.546    49.744  3.0309  47.725  3.1902  2.019695       4.400440 
1 1 1 2   -32 23 o 44.923  2.2646  285.694   26.935    314.538   37.996    256.558   38.188    47.351  3.0115  42.495  3.3831  4.856094       4.529272 
1 1 1 2   -32 24 o 19.796  3.1240  60.285    16.356    43.163    23.194    77.223    23.069    16.705  4.8788  22.887  3.9032  -6.182808      6.247978 
1 1 1 2   -32 25 o 30.414  2.6074  135.287   20.449    110.951   28.816    159.976   29.024    27.367  4.0537  33.461  3.2806  -6.094126      5.214852 
1 1 1 2   -32 26 o 25.604  2.9361  98.611    19.194    119.383   27.520    78.937    26.783    28.570  3.6819  22.637  4.5745  5.932514       5.872176 
1 1 1 2   -32 27 o 29.842  2.6903  131.670   20.957    127.941   30.368    135.061   28.959    29.314  3.9698  30.369  3.6321  -1.055126      5.380654 
1 1 1 2   -32 28 o 9.7070  3.0247  -0.8732   15.334    -6.1380   23.364    3.1101    20.323    9.5322  4.3039  9.8818  4.2511  -0.3495655     6.049425 
1 1 1 2   -32 29 o 29.691  2.7221  131.794   20.690    162.848   30.018    103.689   28.557    33.390  3.4040  25.993  4.2487  7.397610       5.444136 
1 1 1 2   -32 30 o 14.192  3.4763  29.724    16.577    44.041    24.675    17.947    22.379    16.341  5.0905  12.044  4.7356  4.297202       6.952651 
1 1 1 2   -32 31 o 14.255  3.2557  24.735    16.993    59.805    25.181    -4.5912   23.027    19.026  4.9087  9.4833  4.2781  9.542704       6.511367 
1 1 1 2   -32 32 o 16.443  3.6692  45.958    18.055    45.605    26.426    46.266    24.726    16.340  5.2900  16.547  5.0861  -0.2067032     7.338470 
1 1 1 2   -32 33 o 11.831  3.3716  16.317    16.889    5.8953    25.435    24.536    22.587    10.812  4.7032  12.849  4.8323  -2.036865      6.743257 
1 1 1 2   -32 34 o 22.038  3.3983  81.152    19.441    78.062    28.774    83.747    26.370    21.357  5.1002  22.719  4.4925  -1.361744      6.796682 
1 1 1 2   -32 35 o 14.281  5.3379  34.474    27.478    34.474    27.478    0.0000    0.0000    14.281  5.3379  ?       ?       ?              ?        
1 1 1 2   -32 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -32 37 o 11.863  3.3496  14.660    18.064    -10.8037  25.797    39.156    25.302    9.1082  4.2581  14.618  5.1718  -5.509626      6.699160 
1 1 1 2   -32 38 o 12.456  3.4553  22.909    17.892    42.308    25.947    5.3232    24.705    14.789  5.2369  10.122  4.5089  4.667095       6.910511 
1 1 1 2   -32 39 o 16.868  3.7551  58.691    20.024    77.908    28.399    39.689    28.239    19.834  5.2598  13.902  5.3607  5.932182       7.510139 
1 1 1 2   -31 0  o 21.031  2.6884  64.094    14.572    68.966    21.172    59.710    20.085    21.823  3.7576  20.238  3.8459  1.585596       5.376890 
1 1 1 2   -31 1  o 11.554  2.6417  14.719    11.434    -8.2301   17.141    33.115    15.347    8.0766  3.6629  15.032  3.8075  -6.955461      5.283335 
1 1 1 2   -31 2  o 11.918  2.9155  18.791    11.295    18.393    16.942    19.110    15.155    11.946  4.2315  11.889  4.0118  0.5759335E-01  5.830985 
1 1 1 2   -31 3  o 20.388  2.7792  60.504    14.590    57.477    21.285    63.186    20.038    19.814  4.1439  20.961  3.7045  -1.147556      5.558350 
1 1 1 2   -31 4  o 19.041  2.8916  54.944    14.409    36.392    21.288    70.630    19.575    15.755  4.6935  22.326  3.3790  -6.571140      5.783265 
1 1 1 2   -31 5  o 11.940  2.4507  15.974    11.020    -13.1415  16.663    38.609    14.692    7.4932  3.4756  16.387  3.4560  -8.893608      4.901423 
1 1 1 2   -31 6  o 19.812  2.7676  56.364    14.145    66.336    20.774    47.744    19.314    21.528  3.7384  18.096  4.0820  3.432016       5.535126 
1 1 1 2   -31 7  o 14.809  3.1082  30.569    13.258    40.073    20.357    23.567    17.473    16.526  4.4844  13.091  4.3051  3.435500       6.216434 
1 1 1 2   -31 8  o 67.934  2.1785  634.885   39.633    646.523   56.720    623.781   55.403    68.537  3.0897  67.331  3.0721  1.205833       4.357088 
1 1 1 2   -31 9  o 42.564  2.1260  249.908   24.060    264.144   34.397    236.268   33.668    43.780  2.9505  41.349  3.0617  2.430042       4.251987 
1 1 1 2   -31 10 o 46.147  2.0779  293.033   25.542    302.473   36.608    284.079   35.654    46.877  2.9303  45.417  2.9468  1.459915       4.155740 
1 1 1 2   -31 11 o 33.638  2.2615  157.321   20.095    148.813   28.579    165.641   28.260    32.688  3.3098  34.588  3.0828  -1.899879      4.523089 
1 1 1 2   -31 12 o 52.334  2.1107  377.386   29.382    410.664   41.744    344.710   41.364    54.688  2.8597  49.981  3.1052  4.707375       4.221410 
1 1 1 2   -31 13 o 24.501  2.5836  87.130    15.928    66.059    23.171    106.008   21.932    21.365  4.1989  27.637  3.0115  -6.272665      5.167171 
1 1 1 2   -31 14 o 13.500  3.1038  24.522    13.040    32.257    19.113    17.787    17.836    14.964  4.4448  12.035  4.3333  2.929841       6.207513 
1 1 1 2   -31 15 o 11.090  3.0060  12.422    12.630    7.3289    19.039    16.425    16.878    10.536  4.2902  11.643  4.2119  -1.106681      6.012090 
1 1 1 2   -31 16 o 32.845  2.2985  150.169   19.854    132.703   27.654    168.747   28.521    30.796  3.4098  34.895  3.0832  -4.099573      4.597059 
1 1 1 2   -31 17 o 30.584  2.3783  130.852   19.159    129.472   27.096    132.232   27.094    30.413  3.3836  30.754  3.3430  -0.3414021     4.756510 
1 1 1 2   -31 18 o 46.027  2.1295  292.713   26.104    293.051   36.601    292.363   37.241    46.068  2.9822  45.986  3.0406  0.8174896E-01  4.259027 
1 1 1 2   -31 19 f 40.743  2.1571  230.182   23.348    235.674   32.623    224.416   33.430    41.279  2.9704  40.207  3.1288  1.072296       4.314274 
1 1 1 2   -31 20 o 12.400  2.7336  15.825    13.070    -15.6310  19.647    40.800    17.506    8.0880  3.7592  16.711  3.9698  -8.623443      5.467253 
1 1 1 2   -31 21 o 17.001  3.1350  41.998    15.534    64.983    22.286    20.278    21.664    21.120  4.0874  12.882  4.7545  8.237631       6.269908 
1 1 1 2   -31 22 o 48.810  2.1469  330.733   27.914    316.251   39.080    345.816   39.884    47.693  3.0756  49.927  2.9963  -2.233582      4.293882 
1 1 1 2   -31 23 o 28.877  2.5537  119.503   19.005    98.008    26.769    141.347   26.986    26.037  3.9636  31.718  3.2212  -5.681358      5.107481 
1 1 1 2   -31 24 f 23.245  2.8588  79.190    17.087    69.615    24.155    88.781    24.175    21.677  4.3120  24.813  3.7549  -3.136238      5.717685 
1 1 1 2   -31 25 o 12.747  3.2926  19.889    14.991    28.859    21.440    11.308    20.969    14.190  4.7719  11.304  4.5380  2.885617       6.585145 
1 1 1 2   -31 26 o 7.5069  2.4875  -20.0578  12.760    -5.2030   18.987    -32.2902  17.230    8.8158  3.9380  6.1980  3.0401  2.617782       4.974957 
1 1 1 2   -31 27 o 23.413  2.9462  81.600    17.797    82.510    25.355    80.715    24.987    23.540  4.1741  23.286  4.1589  0.2544994      5.892303 
1 1 1 2   -31 28 o 8.9944  2.7718  -13.3470  13.675    14.747    21.161    -33.4931  17.920    11.695  4.6029  6.2934  3.0896  5.401975       5.543686 
1 1 1 2   -31 29 o 35.087  2.4721  177.448   22.792    202.827   33.308    155.100   31.256    37.563  3.3456  32.612  3.6403  4.950634       4.944158 
1 1 1 2   -31 30 o 20.602  3.3001  67.390    17.800    59.681    26.156    74.040    24.292    19.235  5.0225  21.969  4.2823  -2.733698      6.600288 
1 1 1 2   -31 31 o 31.856  2.5622  150.192   21.377    143.015   31.038    156.668   29.484    30.960  3.8242  32.752  3.4110  -1.791664      5.124344 
1 1 1 2   -31 32 o 16.939  3.5530  47.225    17.237    49.817    25.453    45.029    23.426    17.304  5.1269  16.574  4.9203  0.7300301      7.105963 
1 1 1 2   -31 33 o 43.383  2.4018  277.238   27.621    270.847   40.059    283.029   38.136    42.750  3.5301  44.016  3.2578  -1.266663      4.803644 
1 1 1 2   -31 34 o 14.799  3.4143  33.327    17.176    56.299    24.743    11.963    23.863    18.303  4.9347  11.294  4.7201  7.009071       6.828620 
1 1 1 2   -31 35 o 12.649  3.4572  22.116    16.748    30.622    24.818    15.004    22.694    13.831  5.0914  11.467  4.6782  2.363544       6.914360 
1 1 1 2   -31 36 o 9.6839  3.0487  -0.1386   15.910    3.0828    23.428    -2.8959   21.675    10.131  4.4575  9.2368  4.1603  0.8941708      6.097317 
1 1 1 2   -31 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -31 38 o 12.869  5.0147  26.666    24.913    0.0000    0.0000    26.666    24.913    ?       ?       12.869  5.0147  ?              ?        
1 1 1 2   -31 39 o 9.4512  3.0025  -6.5552   17.177    16.324    23.779    -31.5176  24.839    11.270  4.7111  7.6324  3.7236  3.637547       6.004964 
1 1 1 2   -31 40 o 10.648  3.1443  -4.5014   18.164    41.060    26.387    -45.5334  25.041    14.347  5.2547  6.9491  3.4546  7.398262       6.288560 
1 1 1 2   -30 0  o 35.326  2.1783  173.615   20.280    152.561   28.520    195.149   28.843    33.065  3.2628  37.587  2.8869  -4.522449      4.356633 
1 1 1 2   -30 1  o 41.215  2.1180  235.386   23.115    213.611   32.946    256.496   32.440    39.252  3.1605  43.177  2.8205  -3.925762      4.236012 
1 1 1 2   -30 2  o 15.757  2.9384  35.592    12.693    44.385    18.685    28.056    17.296    17.480  4.0671  14.033  4.2420  3.447500       5.876760 
1 1 1 2   -30 3  o 36.000  2.0891  178.468   19.949    188.772   28.709    168.848   27.740    37.022  2.9188  34.978  2.9896  2.044109       4.178200 
1 1 1 2   -30 4  o 29.496  2.2721  121.821   17.446    104.584   24.985    138.221   24.372    27.326  3.4936  31.665  2.9059  -4.339254      4.544140 
1 1 1 2   -30 5  o 70.727  2.1563  684.734   40.774    742.229   58.416    630.112   56.938    73.665  2.9606  67.788  3.1359  5.877502       4.312646 
1 1 1 2   -30 6  o 55.020  2.0397  414.243   29.948    422.672   42.839    406.187   41.884    55.567  2.8883  54.473  2.8809  1.094109       4.079400 
1 1 1 2   -30 7  o 21.351  3.7109  64.605    20.452    0.0000    0.0000    64.605    20.452    ?       ?       21.351  3.7109  ?              ?        
1 1 1 2   -30 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -30 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -30 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -30 11 o 34.917  5.1379  175.520   46.616    175.520   46.616    0.0000    0.0000    34.917  5.1379  ?       ?       ?              ?        
1 1 1 2   -30 12 o 33.478  2.2013  154.553   19.477    144.262   27.443    164.999   27.648    32.315  3.2132  34.642  3.0096  -2.326515      4.402513 
1 1 1 2   -30 13 o 38.937  2.0845  208.228   21.531    193.697   30.475    222.710   30.423    37.536  3.0577  40.337  2.8339  -2.800423      4.168996 
1 1 1 2   -30 14 o 19.433  2.8752  53.908    14.516    67.650    21.229    41.839    19.893    21.859  3.7615  17.008  4.3496  4.850151       5.750472 
1 1 1 2   -30 15 o 19.580  2.8105  54.783    14.232    60.299    20.549    49.698    19.731    20.573  3.8713  18.587  4.0755  1.985991       5.621084 
1 1 1 2   -30 16 o 13.055  2.9933  21.763    12.320    32.730    18.390    12.832    16.595    15.116  4.3239  10.993  4.1406  4.122782       5.986675 
1 1 1 2   -30 17 o 16.943  3.1000  41.309    14.438    53.139    20.816    30.342    20.042    19.193  4.1686  14.692  4.5896  4.500648       6.200087 
1 1 1 2   -30 18 o 76.675  2.2126  805.728   45.435    789.062   63.927    822.740   64.587    75.864  3.1460  77.485  3.1120  -1.621422      4.425150 
1 1 1 2   -30 19 o 50.115  4.6473  356.901   61.673    356.901   61.673    0.0000    0.0000    50.115  4.6473  ?       ?       ?              ?        
1 1 1 2   -30 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -30 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -30 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -30 23 o 43.837  3.1087  266.138   36.265    0.0000    0.0000    266.138   36.265    ?       ?       43.837  3.1087  ?              ?        
1 1 1 2   -30 24 o 30.025  2.4854  128.390   19.274    106.871   27.612    148.842   26.917    27.358  3.8765  32.693  3.1115  -5.334698      4.970800 
1 1 1 2   -30 25 o 18.426  3.1230  50.343    15.215    51.698    21.353    48.946    21.686    18.700  4.3458  18.151  4.4863  0.5491295      6.246055 
1 1 1 2   -30 26 o 50.779  2.1330  358.305   28.876    352.300   40.847    364.304   40.827    50.336  3.0440  51.223  2.9887  -0.8866844     4.265961 
1 1 1 2   -30 27 o 11.442  3.1913  12.118    14.430    17.348    21.476    7.8136    19.483    12.310  4.6926  10.573  4.3265  1.736778       6.382682 
1 1 1 2   -30 28 o 8.8152  2.7792  -7.0769   13.690    -17.5515  19.764    2.5843    18.981    7.8931  3.7017  9.7373  4.1463  -1.844233      5.558331 
1 1 1 2   -30 29 o 22.293  3.0490  74.862    17.506    109.829   25.659    44.410    23.945    27.620  3.5505  16.966  4.9577  10.65370       6.097966 
1 1 1 2   -30 30 o 15.089  3.4620  34.065    15.934    39.083    24.031    30.128    21.286    15.917  5.0333  14.260  4.7548  1.656874       6.924006 
1 1 1 2   -30 31 f 39.920  2.2881  227.423   24.230    235.254   35.250    220.408   33.362    40.545  3.2738  39.296  3.1974  1.249142       4.576158 
1 1 1 2   -30 32 o 21.624  3.2572  72.552    18.231    80.986    27.268    65.735    24.515    22.765  4.6297  20.483  4.5829  2.281799       6.514412 
1 1 1 2   -30 33 o 20.127  3.3991  65.079    18.027    66.561    26.649    63.829    24.477    20.240  4.9554  20.014  4.6541  0.2255173      6.798285 
1 1 1 2   -30 34 o 18.567  3.4640  56.698    17.488    60.000    25.004    53.535    24.468    19.125  4.8686  18.009  4.9289  1.116299       6.927967 
1 1 1 2   -30 35 o 18.748  3.5071  58.570    17.880    64.253    26.155    53.584    24.498    19.607  4.9728  17.889  4.9468  1.718195       7.014244 
1 1 1 2   -30 36 o 16.007  3.5442  42.408    17.627    59.590    25.667    27.072    24.249    18.709  5.0183  13.305  5.0063  5.404897       7.088440 
1 1 1 2   -30 37 o 7.4580  2.5509  -27.9159  15.533    -22.4418  22.459    -32.9346  21.505    7.8702  3.7646  7.0458  3.4434  0.8243914      5.101821 
1 1 1 2   -30 38 o 16.193  3.6197  45.896    18.336    30.855    25.845    61.140    26.019    13.710  5.1666  18.675  5.0710  -4.964414      7.239338 
1 1 1 2   -30 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -30 40 o 18.876  3.5514  66.066    20.459    101.273   29.251    32.348    28.626    24.221  4.6781  13.531  5.3446  10.68963       7.102771 
1 1 1 2   -30 41 f 20.478  3.7191  81.199    20.725    93.220    29.326    69.205    29.293    22.464  5.0022  18.492  5.5049  3.971891       7.438161 
1 1 1 2   -30 42 o 15.474  3.6758  49.158    20.740    18.220    29.440    79.640    29.222    11.343  4.9938  19.605  5.3951  -8.261142      7.351543 
1 1 1 2   -29 0  o 56.830  2.0675  441.703   31.397    461.542   44.868    422.668   43.949    58.134  2.8815  55.526  2.9658  2.607548       4.135084 
1 1 1 2   -29 1  o 46.579  2.0351  297.165   25.250    291.055   36.089    303.026   35.342    46.086  2.9389  47.071  2.8161  -0.9849205     4.070282 
1 1 1 2   -29 2  o 53.543  2.9011  391.881   41.451    0.0000    0.0000    391.881   41.451    ?       ?       53.543  2.9011  ?              ?        
1 1 1 2   -29 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -29 4  o 13.338  5.2300  16.321    27.227    16.321    27.227    0.0000    0.0000    13.338  5.2300  ?       ?       ?              ?        
1 1 1 2   -29 5  o 34.591  2.0865  164.033   18.979    191.553   27.366    138.530   26.343    37.459  2.7466  31.723  3.1416  5.735832       4.172912 
1 1 1 2   -29 6  o 58.957  2.0303  472.504   32.057    472.240   45.732    472.759   44.949    58.933  2.8972  58.981  2.8453  -0.4812241E-01 4.060679 
1 1 1 2   -29 7  o 62.625  2.0601  533.278   34.548    527.359   49.208    539.032   48.517    62.271  2.9503  62.980  2.8761  -0.7093124     4.120169 
1 1 1 2   -29 8  o 56.990  2.0469  441.811   31.139    473.639   44.512    411.305   43.576    59.062  2.8137  54.918  2.9735  4.143566       4.093727 
1 1 1 2   -29 9  o 16.149  2.8087  36.814    12.039    42.537    18.071    32.245    16.144    17.255  3.9897  15.043  3.9546  2.212015       5.617468 
1 1 1 2   -29 10 o 31.671  2.1891  138.487   18.164    119.340   25.728    157.512   25.647    29.396  3.3260  33.945  2.8471  -4.548220      4.378179 
1 1 1 2   -29 11 o 61.328  2.0438  510.979   33.566    523.991   47.534    498.038   47.405    62.117  2.8570  60.539  2.9234  1.577496       4.087642 
1 1 1 2   -29 12 o 14.422  2.9148  28.990    11.911    35.438    17.472    23.392    16.279    15.751  4.1011  13.093  4.1430  2.657866       5.829577 
1 1 1 2   -29 13 o 25.109  2.4152  87.604    15.821    88.808    22.544    86.436    22.208    25.282  3.4167  24.937  3.4146  0.3449383      4.830457 
1 1 1 2   -29 14 o 28.689  2.2951  113.850   17.125    94.985    23.859    133.897   24.594    26.136  3.4957  31.242  2.9749  -5.106310      4.590249 
1 1 1 2   -29 15 o 27.335  2.3007  103.335   16.509    102.073   23.532    104.558   23.165    27.155  3.3034  27.515  3.2032  -0.3592319     4.601419 
1 1 1 2   -29 16 o 56.643  2.0317  436.596   30.765    426.288   43.119    447.285   43.909    55.922  2.8886  57.364  2.8578  -1.442333      4.063340 
1 1 1 2   -29 17 o 20.790  2.7924  62.418    14.857    88.611    21.404    38.066    20.639    25.282  3.2350  16.299  4.5525  8.983051       5.584818 
1 1 1 2   -29 18 o 34.733  2.1309  166.480   19.481    185.371   27.296    146.868   27.812    36.827  2.7879  32.640  3.2234  4.187557       4.261726 
1 1 1 2   -29 19 o 45.505  2.0483  282.991   24.830    279.530   34.695    286.626   35.551    45.224  2.8792  45.785  2.9141  -0.5615196     4.096557 
1 1 1 2   -29 20 o 33.365  2.1925  153.400   19.328    164.924   27.476    142.113   27.193    34.648  2.9899  32.082  3.2075  2.565964       4.384948 
1 1 1 2   -29 21 o 35.068  2.1288  169.121   19.797    164.197   27.889    174.122   28.105    34.539  3.0458  35.597  2.9750  -1.057350      4.257658 
1 1 1 2   -29 22 o 16.406  3.0404  39.220    14.317    21.300    20.719    55.595    19.806    13.095  4.6750  19.718  3.8883  -6.623331      6.080713 
1 1 1 2   -29 23 o 71.098  2.1553  692.722   41.021    715.671   57.842    669.498   58.186    72.316  2.9862  69.881  3.1086  2.434166       4.310563 
1 1 1 2   -29 24 o 65.311  2.1175  584.636   37.042    579.205   52.219    590.136   52.554    65.004  2.9992  65.619  2.9901  -0.6150894     4.235072 
1 1 1 2   -29 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -29 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -29 27 o 11.711  4.5159  14.249    20.040    0.0000    0.0000    14.249    20.040    ?       ?       11.711  4.5159  ?              ?        
1 1 1 2   -29 28 o 39.384  2.1650  215.749   22.648    220.979   32.621    210.881   31.470    39.837  3.0812  38.930  3.0422  0.9068146      4.329916 
1 1 1 2   -29 29 o 8.8198  2.6868  -8.4642   13.208    -34.7024  20.075    11.564    17.539    6.8515  3.3437  10.788  4.2066  -3.936576      5.373671 
1 1 1 2   -29 30 o 38.711  2.2809  211.461   23.371    203.154   33.799    219.074   32.353    37.893  3.3650  39.528  3.0801  -1.634712      4.561845 
1 1 1 2   -29 31 o 33.221  2.4801  159.831   21.380    139.728   31.432    177.141   29.166    31.009  3.8685  35.434  3.1044  -4.424484      4.960121 
1 1 1 2   -29 32 o 23.391  3.0429  81.557    18.239    103.618   27.126    63.354    24.640    26.513  3.9395  20.269  4.6387  6.243746       6.085824 
1 1 1 2   -29 33 o 10.921  3.0626  6.7737    14.609    25.545    21.068    -10.6094  20.274    13.337  4.7192  8.5052  3.9048  4.832135       6.125259 
1 1 1 2   -29 34 o 32.829  2.5521  158.364   22.064    158.044   31.546    158.670   30.871    32.758  3.6579  32.900  3.5600  -0.1420708     5.104289 
1 1 1 2   -29 35 o 25.642  3.0598  102.580   19.994    81.216    28.099    124.487   28.454    22.461  4.8153  28.822  3.7767  -6.360775      6.119670 
1 1 1 2   -29 36 o 7.3339  2.4982  -26.2246  14.584    -19.2972  20.906    -32.7913  20.354    7.8206  3.7097  6.8471  3.3470  0.9734554      4.996490 
1 1 1 2   -29 37 o 26.924  2.9611  113.645   20.633    109.941   29.502    117.190   28.868    26.360  4.3288  27.489  4.0414  -1.129168      5.922125 
1 1 1 2   -29 38 o 38.563  2.6148  226.392   26.568    247.661   37.805    205.640   37.344    40.585  3.5124  36.542  3.8745  4.043354       5.229579 
1 1 1 2   -29 39 o 40.672  2.5425  252.025   27.252    225.656   38.473    278.579   38.608    38.233  3.8076  43.111  3.3703  -4.878696      5.084935 
1 1 1 2   -29 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -29 41 o 16.413  3.6894  49.987    20.190    75.598    28.525    24.277    28.580    20.224  5.2277  12.602  5.2075  7.622096       7.378822 
1 1 1 2   -29 42 o 7.4991  2.5823  -29.1295  16.800    -20.3126  22.982    -39.2496  24.622    7.8348  3.7635  7.1633  3.5367  0.6715703      5.164569 
1 1 1 2   -29 43 o 11.187  3.3715  14.237    19.043    35.793    26.954    -7.2455   26.908    13.253  5.2015  9.1216  4.2911  4.130992       6.743079 
1 1 1 2   -28 0  o 30.787  3.0086  130.201   24.493    130.201   24.493    0.0000    0.0000    30.787  3.0086  ?       ?       ?              ?        
1 1 1 2   -28 1  o 42.243  2.0155  243.532   22.656    237.900   32.357    248.950   31.734    41.744  2.9121  42.741  2.7873  -0.9963875     4.031056 
1 1 1 2   -28 2  o 47.438  1.9750  306.173   24.975    317.066   35.649    295.673   34.999    48.275  2.7686  46.600  2.8173  1.675514       3.949927 
1 1 1 2   -28 3  o 19.321  2.5918  52.613    12.843    70.732    18.807    36.782    17.580    22.586  3.1982  16.056  4.0795  6.529364       5.183680 
1 1 1 2   -28 4  o 46.119  1.9541  289.013   24.016    301.674   34.418    276.997   33.528    47.112  2.7393  45.126  2.7876  1.986412       3.908218 
1 1 1 2   -28 5  o 38.749  1.9972  204.408   20.572    215.248   29.459    194.090   28.740    39.766  2.7834  37.732  2.8651  2.033333       3.994500 
1 1 1 2   -28 6  o 59.167  2.0032  474.637   31.725    463.704   45.330    485.133   44.417    58.483  2.8937  59.850  2.7707  -1.366417      4.006334 
1 1 1 2   -28 7  o 51.998  1.9546  367.086   27.119    368.361   38.814    365.869   37.907    52.080  2.7927  51.917  2.7356  0.1625481      3.909281 
1 1 1 2   -28 8  o 114.771 2.6689  1799.78   82.036    1836.95   116.898   1763.70   115.156   115.945 3.7641  113.598 3.7847  2.347359       5.337820 
1 1 1 2   -28 9  o 72.065  2.1268  704.389   41.038    730.877   58.410    678.567   57.671    73.414  2.9704  70.716  3.0448  2.698219       4.253674 
1 1 1 2   -28 10 o 43.160  2.0233  253.414   23.256    256.720   33.053    250.172   32.729    43.441  2.8566  42.879  2.8662  0.5623283      4.046624 
1 1 1 2   -28 11 o 56.333  1.9850  430.357   29.886    445.375   42.363    415.477   42.167    57.359  2.7574  55.308  2.8562  2.051151       3.969998 
1 1 1 2   -28 12 o 45.948  1.9986  286.988   24.476    285.164   34.363    288.867   34.870    45.802  2.8146  46.094  2.8382  -0.2917519     3.997176 
1 1 1 2   -28 13 f 31.535  2.1450  136.407   17.821    149.633   25.257    123.292   25.150    33.108  2.8767  29.962  3.1826  3.146240       4.289978 
1 1 1 2   -28 14 o 72.371  2.0973  710.629   40.644    723.596   57.234    697.437   57.728    73.049  2.9251  71.692  3.0063  1.357529       4.194536 
1 1 1 2   -28 15 o 88.904  2.2767  1074.95   54.212    1085.25   76.586    1064.62   76.748    89.339  3.2005  88.470  3.2388  0.8694611      4.553346 
1 1 1 2   -28 16 o 17.753  2.9002  44.741    13.490    48.346    19.903    41.677    18.346    18.413  4.1365  17.094  4.0662  1.318474       5.800392 
1 1 1 2   -28 17 o 34.624  2.0372  163.671   18.712    156.891   26.225    170.704   26.709    33.881  2.9183  35.368  2.8434  -1.487450      4.074480 
1 1 1 2   -28 18 o 54.985  1.9860  411.473   29.127    432.526   40.677    389.320   41.726    56.500  2.6879  53.470  2.9245  3.029266       3.972098 
1 1 1 2   -28 19 o 41.246  2.0099  232.799   21.983    248.687   30.594    215.841   31.607    42.752  2.6854  39.740  2.9913  3.012157       4.019857 
1 1 1 2   -28 20 o 57.913  2.0090  456.289   31.093    465.409   43.570    446.822   44.387    58.556  2.7779  57.270  2.9031  1.286312       4.018048 
1 1 1 2   -28 21 o 55.450  2.0008  418.401   29.654    421.103   41.517    415.587   42.371    55.681  2.7837  55.219  2.8748  0.4626274      4.001655 
1 1 1 2   -28 22 o 32.212  2.1887  143.057   18.593    132.376   26.448    153.494   26.143    30.971  3.2360  33.453  2.9478  -2.481945      4.377329 
1 1 1 2   -28 23 o 58.241  2.0034  462.460   31.158    435.285   43.921    489.991   44.208    56.454  2.9145  60.028  2.7495  -3.573792      4.006774 
1 1 1 2   -28 24 o 38.929  2.0689  207.782   21.375    223.769   30.528    192.406   29.939    40.432  2.8368  37.425  3.0122  3.007313       4.137769 
1 1 1 2   -28 25 o 27.822  2.4463  109.106   17.511    89.020    24.901    128.758   24.631    25.105  3.8238  30.538  3.0521  -5.432709      4.892538 
1 1 1 2   -28 26 o 41.960  2.0640  241.963   23.039    238.256   32.979    245.497   32.198    41.623  2.9777  42.297  2.8589  -0.6734467     4.127982 
1 1 1 2   -28 27 o 47.030  2.0749  305.173   25.902    279.363   36.999    329.983   36.275    45.000  3.0883  49.059  2.7719  -4.059456      4.149848 
1 1 1 2   -28 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -28 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -28 30 o 62.175  2.1720  535.512   36.096    556.594   51.773    515.572   50.350    63.416  3.0480  60.935  3.0951  2.481800       4.343962 
1 1 1 2   -28 31 o 13.439  3.3164  24.618    14.813    19.281    22.186    28.912    19.897    12.711  4.7875  14.167  4.5907  -1.456450      6.632805 
1 1 1 2   -28 32 o 46.987  2.1895  309.885   27.356    301.111   39.441    318.018   37.974    46.271  3.2021  47.704  2.9871  -1.432796      4.379027 
1 1 1 2   -28 33 o 14.240  3.3970  28.196    15.783    40.657    23.263    17.569    21.483    16.261  4.9204  12.219  4.6849  4.041828       6.794026 
1 1 1 2   -28 34 o 26.558  2.9255  107.586   19.504    80.016    28.117    133.154   27.077    22.704  4.7750  30.412  3.3814  -7.707756      5.851005 
1 1 1 2   -28 35 o 21.365  3.1965  72.592    17.863    50.136    25.605    93.886    24.934    17.610  5.1212  25.120  3.8266  -7.510609      6.392918 
1 1 1 2   -28 36 o 11.559  3.2984  13.650    15.899    19.702    22.694    7.8173    22.281    12.378  4.7965  10.740  4.5288  1.638424       6.596735 
1 1 1 2   -28 37 o 22.326  3.4091  80.967    19.843    95.705    28.719    67.505    27.447    24.554  4.5338  20.099  5.0924  4.455734       6.818208 
1 1 1 2   -28 38 o 43.760  2.4406  284.454   28.326    303.483   40.345    265.953   39.780    45.337  3.3460  42.182  3.5539  3.155006       4.881172 
1 1 1 2   -28 39 o 10.771  3.2762  7.3537    17.098    2.2630    23.426    13.157    25.011    10.071  4.4431  11.472  4.8159  -1.400863      6.552380 
1 1 1 2   -28 40 o 9.8206  3.0656  -0.9147   16.215    -13.3047  22.321    12.930    23.595    8.4454  3.9522  11.196  4.6875  -2.750381      6.131258 
1 1 1 2   -28 41 o 23.101  5.4748  97.242    33.357    97.242    33.357    0.0000    0.0000    23.101  5.4748  ?       ?       ?              ?        
1 1 1 2   -28 42 o 26.658  3.6494  128.274   25.027    113.253   36.022    142.290   34.796    24.458  5.6170  28.858  4.6605  -4.399885      7.298731 
1 1 1 2   -28 43 o 11.296  3.3491  11.012    18.502    -11.7833  25.460    36.521    26.933    8.8107  4.1537  13.782  5.2548  -4.971436      6.698173 
1 1 1 2   -28 44 o 8.1927  2.7873  -19.1599  17.927    -25.8812  24.588    -11.5333  26.192    7.6547  3.7280  8.7307  4.1446  -1.076007      5.574561 
1 1 1 2   -27 0  f 37.625  1.9818  192.878   19.815    189.587   28.395    196.002   27.664    37.297  2.8642  37.954  2.7396  -0.6569748     3.963518 
1 1 1 2   -27 1  o 49.038  1.9662  326.523   25.718    331.012   36.484    322.088   36.260    49.377  2.7698  48.699  2.7915  0.6773529      3.932418 
1 1 1 2   -27 2  o 75.059  2.1477  763.923   43.170    762.528   61.624    765.268   60.496    74.982  3.0683  75.136  3.0060  -0.1535187     4.295435 
1 1 1 2   -27 3  o 84.972  2.2378  979.597   50.925    981.318   72.578    977.928   71.472    85.038  3.1864  84.906  3.1428  0.1318741      4.475529 
1 1 1 2   -27 4  o 83.777  2.2222  951.651   49.860    958.225   71.146    945.306   69.895    84.056  3.1600  83.499  3.1252  0.5570755      4.444398 
1 1 1 2   -27 5  o 43.323  1.9685  255.027   22.695    243.706   32.285    266.086   31.910    42.351  2.8629  44.294  2.7026  -1.943649      3.937016 
1 1 1 2   -27 6  o 29.180  2.0876  116.406   15.919    137.525   22.996    96.976    22.058    31.790  2.7272  26.570  3.1615  5.219723       4.175221 
1 1 1 2   -27 7  o 86.083  2.2552  1004.36   51.989    998.182   74.111    1010.35   72.950    85.811  3.2244  86.355  3.1539  -0.5439148     4.510440 
1 1 1 2   -27 8  o 35.432  2.0149  170.710   18.953    177.449   27.056    164.216   26.558    36.129  2.8181  34.736  2.8805  1.393604       4.029788 
1 1 1 2   -27 9  o 51.291  1.9699  356.547   26.952    347.395   38.207    365.612   38.026    50.625  2.8290  51.958  2.7421  -1.332790      3.939799 
1 1 1 2   -27 10 o 48.446  1.9412  317.922   25.084    323.680   35.711    312.313   35.243    48.882  2.7385  48.010  2.7521  0.8714180      3.882488 
1 1 1 2   -27 11 o 103.519 2.4760  1454.82   68.651    1464.37   97.324    1445.35   96.853    103.858 3.4986  103.179 3.5045  0.6790237      4.951931 
1 1 1 2   -27 12 o 55.524  1.9751  417.006   29.319    407.805   41.318    426.339   41.610    54.867  2.8211  56.181  2.7651  -1.314610      3.950236 
1 1 1 2   -27 13 o 43.570  1.9654  258.710   22.666    289.303   31.894    227.491   32.219    46.232  2.5859  40.908  2.9604  5.324100       3.930811 
1 1 1 2   -27 14 o 58.512  1.9713  462.524   30.878    442.333   43.334    483.351   44.011    57.207  2.8280  59.816  2.7470  -2.609116      3.942554 
1 1 1 2   -27 15 o 14.069  2.8952  27.236    11.770    34.601    16.871    20.254    16.428    15.632  4.0099  12.505  4.1773  3.126379       5.790422 
1 1 1 2   -27 16 o 31.600  2.0738  137.023   17.205    154.598   24.206    119.078   24.459    33.721  2.7027  29.480  3.1462  4.240749       4.147642 
1 1 1 2   -27 17 o 74.112  2.0848  744.024   41.365    762.729   58.132    724.840   58.873    75.071  2.8910  73.152  3.0047  1.919014       4.169675 
1 1 1 2   -27 18 o 53.552  1.9609  389.852   27.958    419.938   39.093    358.354   40.000    55.745  2.6182  51.360  2.9198  4.385502       3.921763 
1 1 1 2   -27 19 o 51.323  1.9490  357.757   26.670    369.277   37.408    345.848   38.035    52.184  2.6854  50.463  2.8253  1.720673       3.897931 
1 1 1 2   -27 20 o 61.515  1.9840  512.440   32.684    502.779   45.760    522.501   46.699    60.923  2.8043  62.106  2.8073  -1.182690      3.967952 
1 1 1 2   -27 21 o 47.098  1.9645  301.516   24.658    287.689   34.553    315.865   35.199    45.984  2.8189  48.212  2.7370  -2.228138      3.929056 
1 1 1 2   -27 22 o 60.207  1.9952  491.732   32.165    476.084   45.263    507.697   45.718    59.231  2.8530  61.183  2.7898  -1.952465      3.990304 
1 1 1 2   -27 23 o 43.171  1.9803  254.019   22.774    251.329   32.238    256.699   32.178    42.938  2.8188  43.405  2.7824  -0.4678459     3.960687 
1 1 1 2   -27 24 o 71.155  2.1086  689.295   40.172    669.331   56.850    709.207   56.775    70.108  3.0274  72.202  2.9358  -2.093765      4.217099 
1 1 1 2   -27 25 o 92.385  2.3374  1167.77   57.797    1221.71   81.934    1114.34   81.543    94.549  3.2353  90.220  3.3744  4.329819       4.674803 
1 1 1 2   -27 26 o 33.810  2.1261  157.262   18.917    180.368   27.164    135.503   26.360    36.295  2.8162  31.326  3.1859  4.968485       4.252187 
1 1 1 2   -27 27 o 16.418  3.0698  39.143    14.494    21.543    20.927    55.371    20.095    13.169  4.6987  19.667  3.9518  -6.497535      6.139577 
1 1 1 2   -27 28 o 17.152  3.1119  43.387    15.132    24.383    21.981    60.506    20.863    13.746  4.8245  20.558  3.9321  -6.812530      6.223898 
1 1 1 2   -27 29 o 66.906  2.1437  614.185   38.409    622.300   54.963    606.440   53.697    67.329  3.0477  66.483  3.0154  0.8463898      4.287374 
1 1 1 2   -27 30 f 13.466  3.2291  21.539    14.949    38.723    21.708    6.0402    20.616    16.261  4.7115  10.670  4.4171  5.590672       6.458240 
1 1 1 2   -27 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -27 32 o 22.326  3.0651  73.461    17.662    68.775    24.964    78.157    24.993    21.535  4.4741  23.118  4.1905  -1.583235      6.130139 
1 1 1 2   -27 33 o 26.383  2.7553  101.905   18.618    87.105    26.959    115.397   25.741    24.291  4.3010  28.476  3.4450  -4.184961      5.510568 
1 1 1 2   -27 34 o 46.808  2.2057  308.565   27.446    299.829   39.602    316.640   38.073    46.088  3.2284  47.528  3.0062  -1.440025      4.411368 
1 1 1 2   -27 35 o 10.767  3.1195  6.9356    15.014    -5.6556   21.862    18.177    20.657    9.3743  4.2038  12.160  4.6101  -2.785576      6.239028 
1 1 1 2   -27 36 o 10.873  3.2095  8.0606    15.630    4.5984    22.063    11.549    22.146    10.435  4.4575  11.312  4.6189  -0.8771353     6.418977 
1 1 1 2   -27 37 o 14.717  3.5374  32.639    17.292    46.730    24.983    19.680    23.958    16.905  5.0955  12.529  4.9079  4.376097       7.074712 
1 1 1 2   -27 38 o 14.859  3.6313  35.554    17.607    31.717    24.413    39.712    25.418    14.209  5.0744  15.509  5.1958  -1.300010      7.262687 
1 1 1 2   -27 39 o 10.535  3.1900  6.8268    16.061    4.4078    22.409    9.3821    23.032    10.204  4.4266  10.866  4.5945  -0.6618404     6.380018 
1 1 1 2   -27 40 o 11.949  3.4568  17.090    17.639    13.096    24.833    21.158    25.060    11.441  4.8006  12.457  4.9751  -1.016228      6.913592 
1 1 1 2   -27 41 o 18.311  3.9162  61.532    20.819    63.739    30.311    59.560    28.645    18.551  5.6173  18.072  5.4581  0.4788742      7.832306 
1 1 1 2   -27 42 f 14.623  5.4217  38.410    28.235    38.410    28.235    0.0000    0.0000    14.623  5.4217  ?       ?       ?              ?        
1 1 1 2   -27 43 o 23.984  3.8246  107.424   24.028    97.926    34.443    116.428   33.536    22.470  5.7108  25.498  5.0888  -3.027433      7.649117 
1 1 1 2   -27 44 o 11.974  3.6123  20.980    20.447    14.903    27.931    27.996    30.013    11.254  4.9114  12.694  5.2982  -1.439075      7.224499 
1 1 1 2   -27 45 o 10.566  3.3580  9.7273    20.414    21.515    27.521    -4.6926   30.438    11.492  4.9453  9.6411  4.5441  1.850759       6.716029 
1 1 1 2   -26 0  o 38.257  1.9196  198.673   19.522    210.626   27.858    187.140   27.366    39.404  2.6550  37.110  2.7732  2.294521       3.839216 
1 1 1 2   -26 1  o 40.976  1.9397  228.401   21.099    211.163   30.112    245.026   29.572    39.421  2.8715  42.531  2.6085  -3.109310      3.879426 
1 1 1 2   -26 2  o 123.817 2.7900  2087.86   92.521    2082.42   131.605   2093.18   130.099   123.643 3.9739  123.991 3.9174  -0.3484421     5.580079 
1 1 1 2   -26 3  o 42.182  1.9139  241.017   21.507    243.424   30.727    238.705   30.113    42.387  2.7208  41.977  2.6924  0.4094582      3.827805 
1 1 1 2   -26 4  o 23.620  2.1558  76.666    13.307    73.779    18.914    79.496    18.726    23.156  3.1297  24.083  2.9656  -0.9268513     4.311584 
1 1 1 2   -26 5  o 35.232  1.9574  168.588   18.305    164.068   26.225    172.883   25.562    34.756  2.8419  35.708  2.6925  -0.9522247     3.914793 
1 1 1 2   -26 6  o 79.459  2.1574  852.463   45.910    869.918   65.456    835.561   64.411    80.260  3.0448  78.657  3.0573  1.603592       4.314830 
1 1 1 2   -26 7  o 104.732 2.4864  1484.73   69.746    1496.49   99.263    1473.25   98.019    105.140 3.5248  104.325 3.5078  0.8141785      4.972783 
1 1 1 2   -26 8  o 71.322  2.0651  686.101   39.449    693.482   56.139    678.902   55.445    71.700  2.9232  70.943  2.9179  0.7567673      4.130251 
1 1 1 2   -26 9  o 44.936  1.9414  273.175   23.234    258.839   32.704    287.784   33.014    43.731  2.8068  46.141  2.6829  -2.409660      3.882781 
1 1 1 2   -26 10 o 21.706  2.4594  65.337    13.793    69.874    19.527    60.819    19.486    22.501  3.3415  20.910  3.6096  1.590832       4.918805 
1 1 1 2   -26 11 o 48.040  1.9271  311.897   24.680    297.677   34.664    326.516   35.147    46.918  2.7706  49.161  2.6793  -2.242516      3.854238 
1 1 1 2   -26 12 o 29.713  2.1606  122.509   16.450    151.870   23.150    92.565    23.379    33.483  2.6018  25.943  3.4501  7.539854       4.321162 
1 1 1 2   -26 13 o 58.952  1.9577  468.450   30.907    471.999   43.426    464.808   43.997    59.182  2.7395  58.722  2.7973  0.4603195      3.915318 
1 1 1 2   -26 14 o 37.324  1.9905  188.866   19.658    166.293   27.379    212.885   28.242    34.987  2.9491  39.661  2.6742  -4.673882      3.981033 
1 1 1 2   -26 15 o 38.475  1.9532  200.705   19.979    205.130   27.941    196.076   28.579    38.921  2.6968  38.028  2.8260  0.8938065      3.906317 
1 1 1 2   -26 16 o 30.713  2.0868  128.434   16.937    127.547   23.385    129.413   24.565    30.612  2.8861  30.815  3.0148  -0.2027340     4.173588 
1 1 1 2   -26 17 o 41.013  1.9644  228.698   21.360    249.598   30.020    207.267   30.399    42.952  2.6220  39.074  2.9258  3.877651       3.928725 
1 1 1 2   -26 18 o 125.617 2.7708  2145.99   93.225    2155.08   131.430   2136.78   132.253   125.895 3.8976  125.339 3.9394  0.5560226      5.541680 
1 1 1 2   -26 19 o 36.835  1.9754  184.606   19.295    197.448   27.155    171.509   27.423    38.160  2.6736  35.510  2.9087  2.649799       3.950788 
1 1 1 2   -26 20 o 31.855  2.0369  138.278   17.191    138.689   24.213    137.860   24.413    31.907  2.8637  31.804  2.8976  0.1024876      4.073884 
1 1 1 2   -26 21 f 96.372  2.3376  1260.68   60.330    1283.21   85.170    1237.99   85.472    97.250  3.2697  95.493  3.3416  1.756554       4.675189 
1 1 1 2   -26 22 o 72.398  2.0615  709.862   39.976    708.007   56.534    711.717   56.536    72.302  2.9192  72.494  2.9116  -0.1912613     4.123053 
1 1 1 2   -26 23 o 56.524  1.9605  433.173   29.626    423.182   41.893    443.168   41.904    55.830  2.8105  57.219  2.7341  -1.389809      3.920990 
1 1 1 2   -26 24 o 39.305  1.9918  210.635   20.811    205.053   29.788    215.958   29.087    38.776  2.8887  39.834  2.7429  -1.057465      3.983531 
1 1 1 2   -26 25 o 88.302  2.2656  1062.16   53.584    1074.62   76.061    1049.88   75.502    88.820  3.1972  87.785  3.2111  1.035004       4.531297 
1 1 1 2   -26 26 o 69.048  2.0671  648.174   38.218    672.018   54.509    625.119   53.599    70.307  2.8945  67.789  2.9519  2.517914       4.134289 
1 1 1 2   -26 27 o 20.398  2.8032  59.887    14.699    50.584    21.331    68.298    20.283    18.740  4.3357  22.056  3.5543  -3.315405      5.606375 
1 1 1 2   -26 28 o 19.131  2.9345  52.410    14.584    56.162    21.382    49.146    19.944    19.776  4.1681  18.485  4.1319  1.290668       5.869037 
1 1 1 2   -26 29 o 80.697  2.2455  892.034   48.528    908.576   69.282    876.101   67.993    81.430  3.1765  79.963  3.1746  1.467415       4.490901 
1 1 1 2   -26 30 o 28.532  2.5489  116.021   18.602    93.949    26.902    136.243   25.750    25.690  4.0431  31.375  3.1049  -5.684296      5.097758 
1 1 1 2   -26 31 o 48.133  2.1216  319.757   27.162    301.574   38.739    337.338   38.094    46.729  3.1129  49.537  2.8835  -2.808311      4.243213 
1 1 1 2   -26 32 o 58.978  4.6404  499.669   72.713    499.669   72.713    0.0000    0.0000    58.978  4.6404  ?       ?       ?              ?        
1 1 1 2   -26 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -26 34 o 53.608  2.1973  401.706   31.353    383.487   44.981    418.922   43.726    52.338  3.2243  54.878  2.9860  -2.539959      4.394629 
1 1 1 2   -26 35 o 11.862  3.0998  12.229    14.768    -8.3891   21.072    32.130    20.702    9.0009  4.0735  14.723  4.6734  -5.722398      6.199584 
1 1 1 2   -26 36 o 24.689  3.0244  92.091    19.110    77.818    27.397    105.614   26.668    22.511  4.6957  26.867  3.8127  -4.355249      6.048727 
1 1 1 2   -26 37 o 8.2869  2.7149  -14.5876  14.527    -5.7585   20.394    -23.6821  20.699    8.9861  4.0425  7.5876  3.6251  1.398501       5.429880 
1 1 1 2   -26 38 f 26.762  3.0152  110.859   20.338    140.852   28.938    81.583    28.589    30.944  3.5560  22.579  4.8704  8.365198       6.030372 
1 1 1 2   -26 39 o 7.9073  2.5700  -18.7429  13.888    4.0298    18.499    -48.1569  21.024    9.5313  4.0768  6.2833  3.1303  3.248027       5.139966 
1 1 1 2   -26 40 f 26.399  3.2821  112.874   22.286    103.800   31.950    121.473   31.101    25.053  4.9369  27.745  4.3261  -2.692663      6.564144 
1 1 1 2   -26 41 o 20.084  3.7453  70.939    20.446    68.502    28.910    73.378    28.921    19.676  5.3463  20.492  5.2466  -0.8168449     7.490623 
1 1 1 2   -26 42 o 11.339  3.4218  11.536    18.292    7.2360    24.687    16.769    27.237    10.680  4.6396  11.999  5.0307  -1.318903      6.843513 
1 1 1 2   -26 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -26 44 o 16.522  4.0942  56.200    22.444    58.827    30.987    53.301    32.553    16.989  5.7366  16.056  5.8431  0.9327984      8.188488 
1 1 1 2   -26 45 o 12.379  3.6740  26.019    20.725    31.008    28.535    20.449    30.151    12.911  5.2540  11.846  5.1368  1.064384       7.347929 
1 1 1 2   -25 0  o 48.255  1.9310  314.855   24.849    325.043   35.490    305.056   34.804    49.026  2.7133  47.484  2.7482  1.541924       3.861923 
1 1 1 2   -25 1  o 114.424 2.6138  1773.59   80.093    1822.49   114.093   1726.08   112.463   115.987 3.6725  112.860 3.7203  3.126495       5.227623 
1 1 1 2   -25 2  f 117.852 2.7264  1882.16   86.060    1884.28   122.324   1880.09   121.100   117.912 3.8732  117.793 3.8383  0.1186142      5.452847 
1 1 1 2   -25 3  o 140.777 3.0121  2689.75   113.562   2752.93   161.506   2627.96   159.712   142.423 4.2337  139.130 4.2858  3.293015       6.024275 
1 1 1 2   -25 4  o 93.653  2.3300  1183.50   58.444    1192.41   83.151    1174.80   82.162    94.000  3.3025  93.306  3.2875  0.6936493      4.659900 
1 1 1 2   -25 5  o 30.125  2.0549  123.337   16.300    138.038   23.396    109.468   22.723    31.906  2.7650  28.343  3.0406  3.562492       4.109795 
1 1 1 2   -25 6  o 68.820  2.0264  637.516   37.350    644.698   53.206    630.537   52.444    69.201  2.8705  68.438  2.8610  0.7630386      4.052761 
1 1 1 2   -25 7  o 42.466  1.9249  243.585   21.774    250.200   30.918    237.075   30.670    43.044  2.6953  41.888  2.7489  1.155704       3.849766 
1 1 1 2   -25 8  o 75.543  2.1137  768.299   42.758    791.657   60.762    745.387   60.181    76.684  2.9583  74.401  3.0199  2.282837       4.227409 
1 1 1 2   -25 9  o 60.361  1.9904  490.218   32.179    492.228   45.459    488.200   45.558    60.486  2.8059  60.236  2.8237  0.2497520      3.980794 
1 1 1 2   -25 10 o 57.736  1.9587  448.590   30.277    462.301   42.709    434.738   42.927    58.628  2.7198  56.844  2.8194  1.783630       3.917419 
1 1 1 2   -25 11 o 110.940 2.5220  1660.53   74.935    1634.23   105.883   1686.91   106.066   110.054 3.5920  111.826 3.5412  -1.771217      5.044008 
1 1 1 2   -25 12 o 86.646  2.2098  1011.13   51.275    983.998   72.202    1038.74   72.830    85.469  3.1539  87.823  3.0961  -2.354607      4.419607 
1 1 1 2   -25 13 o 159.333 3.2427  3442.48   138.389   3448.11   195.611   3436.84   195.813   159.466 4.5797  159.200 4.5921  0.2661591      6.485437 
1 1 1 2   -25 14 o 41.440  1.9701  232.433   21.706    241.261   30.288    223.113   31.122    42.266  2.6894  40.613  2.8797  1.653118       3.940207 
1 1 1 2   -25 15 o 27.212  2.2341  101.618   15.804    86.021    22.269    117.446   22.433    25.027  3.4109  29.397  2.8862  -4.370583      4.468170 
1 1 1 2   -25 16 o 70.439  2.0233  669.044   38.118    698.852   53.361    637.983   54.470    72.056  2.7648  68.822  2.9549  3.234070       4.046642 
1 1 1 2   -25 17 o 25.522  2.3224  90.935    14.980    66.466    21.150    115.566   21.219    21.873  3.7447  29.172  2.7481  -7.298956      4.644843 
1 1 1 2   -25 18 o 66.219  1.9832  591.439   35.127    615.820   49.166    566.015   50.206    67.627  2.7143  64.811  2.8921  2.816078       3.966326 
1 1 1 2   -25 19 o 55.553  1.8913  415.687   28.138    417.653   39.477    413.656   40.116    55.690  2.6465  55.416  2.7027  0.2736320      3.782676 
1 1 1 2   -25 20 o 108.259 2.4744  1586.04   71.748    1588.68   101.238   1583.37   101.699   108.353 3.4883  108.164 3.5103  0.1885071      4.948770 
1 1 1 2   -25 21 o 32.593  2.0179  144.420   17.437    146.001   24.686    142.846   24.634    32.775  2.8401  32.411  2.8672  0.3633385      4.035746 
1 1 1 2   -25 22 o 55.073  1.9278  409.899   28.374    424.028   40.150    395.803   40.103    56.064  2.6737  54.081  2.7779  1.983063       3.855554 
1 1 1 2   -25 23 o 53.027  1.9304  380.715   27.322    380.802   38.952    380.630   38.332    53.028  2.7519  53.025  2.7080  0.2918243E-02  3.860829 
1 1 1 2   -25 24 o 82.553  2.1758  923.349   48.109    935.666   68.438    911.318   67.641    83.098  3.0748  82.008  3.0794  1.089752       4.351682 
1 1 1 2   -25 25 o 13.999  3.0442  26.970    12.521    27.606    17.995    26.373    17.433    14.147  4.3373  13.852  4.2727  0.2949791      6.088414 
1 1 1 2   -25 26 o 90.853  2.2882  1122.84   55.677    1148.27   79.325    1098.15   78.166    91.872  3.2236  89.834  3.2485  2.038376       4.576499 
1 1 1 2   -25 27 o 30.954  2.2409  131.984   17.712    174.690   25.972    94.853    24.218    35.793  2.7296  26.114  3.5547  9.679436       4.481812 
1 1 1 2   -25 28 o 9.0607  2.6747  -0.3309   11.544    -12.9146  16.982    10.482    15.742    7.6737  3.5415  10.448  4.0092  -2.773939      5.349348 
1 1 1 2   -25 29 o 39.360  2.0691  211.849   21.634    217.693   31.474    206.615   29.787    39.864  2.9690  38.856  2.8826  1.007999       4.138155 
1 1 1 2   -25 30 o 61.466  2.0649  515.824   33.957    504.155   48.848    526.737   47.238    60.762  3.0014  62.171  2.8367  -1.409889      4.129781 
1 1 1 2   -25 31 o 27.727  2.4970  107.667   18.104    103.759   25.780    111.470   25.430    27.190  3.6304  28.264  3.4293  -1.074007      4.993978 
1 1 1 2   -25 32 o 39.388  2.2108  215.341   23.017    198.992   33.234    230.413   31.909    37.863  3.3102  40.913  2.9312  -3.049294      4.421512 
1 1 1 2   -25 33 o 33.159  2.4082  154.335   20.992    143.972   30.256    163.953   29.149    31.994  3.5928  34.325  3.2076  -2.330763      4.816309 
1 1 1 2   -25 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -25 35 o 10.532  3.1286  3.8489    15.270    -5.1025   22.365    11.664    20.898    9.6721  4.3004  11.392  4.5452  -1.719373      6.257222 
1 1 1 2   -25 36 o 25.562  2.9533  96.131    19.413    111.042   28.037    82.399    26.905    27.647  3.8941  23.478  4.4413  4.169102       5.906642 
1 1 1 2   -25 37 f 11.999  3.2006  11.200    15.938    33.819    22.558    -11.3482  22.523    14.982  4.8899  9.0168  4.1308  5.965484       6.401149 
1 1 1 2   -25 38 o 17.502  3.4562  48.168    18.277    71.864    25.731    24.039    25.965    21.514  4.6044  13.491  5.1557  8.022530       6.912433 
1 1 1 2   -25 39 o 13.743  3.5397  27.538    16.913    32.767    24.844    23.021    23.090    14.551  5.1273  12.935  4.8814  1.615940       7.079355 
1 1 1 2   -25 40 o 12.768  3.4254  22.656    16.369    29.054    22.791    15.841    23.524    13.713  4.9024  11.824  4.7855  1.888742       6.850855 
1 1 1 2   -25 41 o 26.673  3.4176  118.305   23.189    145.185   32.492    90.402    33.105    30.595  4.0657  22.751  5.4945  7.843527       6.835151 
1 1 1 2   -25 42 f 24.305  3.6297  101.453   22.903    91.656    32.477    111.144   32.302    22.802  5.4008  25.809  4.8508  -3.007082      7.259408 
1 1 1 2   -25 43 o 14.278  3.7247  32.802    20.014    14.060    28.163    51.924    28.447    11.774  5.0331  16.782  5.4919  -5.007980      7.449360 
1 1 1 2   -25 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -25 45 o 9.1557  3.0537  -12.5485  19.491    -10.6404  26.683    -14.7315  28.540    9.1477  4.2937  9.1638  4.3433  -0.1609707E-01 6.107336 
1 1 1 2   -25 46 o 17.358  3.9794  65.600    23.073    94.643    33.104    38.163    32.175    21.196  5.7050  13.520  5.5493  7.675609       7.958751 
1 1 1 2   -24 0  o 112.232 2.5901  1701.78   77.856    1700.27   110.720   1703.25   109.502   112.177 3.6849  112.288 3.6408  -0.1102371     5.180195 
1 1 1 2   -24 1  o 90.772  2.2696  1110.11   55.176    1129.17   78.649    1091.63   77.427    91.539  3.2077  90.004  3.2117  1.534996       4.539209 
1 1 1 2   -24 2  o 93.204  2.3661  1170.70   59.065    1168.08   83.966    1173.26   83.101    93.097  3.3673  93.311  3.3249  -0.2134781     4.732193 
1 1 1 2   -24 3  o 131.529 2.8792  2336.94   101.430   2333.74   144.094   2340.09   142.803   131.434 4.0931  131.625 4.0505  -0.1905060     5.758455 
1 1 1 2   -24 4  o 30.550  2.0806  127.024   16.716    112.263   23.570    141.962   23.711    28.718  3.1141  32.381  2.7602  -3.662884      4.161279 
1 1 1 2   -24 5  o 92.700  2.3155  1156.46   57.488    1177.83   81.787    1135.59   80.822    93.547  3.2641  91.852  3.2851  1.695366       4.631015 
1 1 1 2   -24 6  o 222.305 8.9104  6854.52   530.559   0.0000    0.0000    6854.52   530.559   ?       ?       222.305 8.9104  ?              ?        
1 1 1 2   -24 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 19 f 33.966  2.0244  156.708   18.190    144.839   25.895    168.272   25.558    32.665  2.9928  35.266  2.7270  -2.600235      4.048878 
1 1 1 2   -24 20 o 44.253  1.9171  264.603   22.602    272.441   31.816    256.618   32.114    44.925  2.6559  43.581  2.7655  1.343479       3.834238 
1 1 1 2   -24 21 o 65.010  1.9521  569.722   33.930    608.293   47.948    531.031   48.022    67.229  2.6627  62.791  2.8553  4.437611       3.904204 
1 1 1 2   -24 22 o 71.187  2.0162  683.135   38.431    667.070   54.551    698.964   54.149    70.349  2.8951  72.025  2.8069  -1.675995      4.032356 
1 1 1 2   -24 23 o 43.563  1.9041  256.597   22.097    268.131   31.563    245.509   30.946    44.532  2.6583  42.594  2.7268  1.937531       3.808144 
1 1 1 2   -24 24 o 27.138  2.1820  100.603   15.561    106.896   22.527    94.860    21.521    27.964  3.0573  26.313  3.1139  1.651457       4.363901 
1 1 1 2   -24 25 o 32.767  2.0360  146.570   17.632    138.980   25.464    153.562   24.438    31.919  3.0141  33.616  2.7379  -1.697399      4.071963 
1 1 1 2   -24 26 o 9.8808  2.8030  5.8727    11.304    10.603    17.070    2.1791    15.085    10.792  4.1661  8.9693  3.7510  1.822901       5.605946 
1 1 1 2   -24 27 o 26.051  2.4213  96.669    15.832    71.076    22.983    119.781   21.841    22.482  3.9613  29.620  2.7856  -7.138220      4.842643 
1 1 1 2   -24 28 o 15.994  2.9530  35.371    13.325    52.227    19.617    20.930    18.158    19.182  3.9495  12.807  4.3910  6.375853       5.905921 
1 1 1 2   -24 29 f 53.256  1.9928  386.559   28.285    375.570   40.711    396.812   39.326    52.494  2.9068  54.018  2.7268  -1.523895      3.985550 
1 1 1 2   -24 30 o 13.966  3.1197  26.474    13.326    18.966    18.795    34.063    18.896    12.482  4.4530  15.450  4.3704  -2.968192      6.239360 
1 1 1 2   -24 31 o 47.707  2.0698  311.379   26.294    312.020   38.038    310.793   36.388    47.732  2.9904  47.682  2.8624  0.5011749E-01  4.139535 
1 1 1 2   -24 32 o 34.078  2.2878  160.683   20.625    157.922   29.328    163.384   29.011    33.769  3.2840  34.386  3.1861  -0.6168633     4.575540 
1 1 1 2   -24 33 o 109.873 2.6627  1676.82   78.350    1648.64   110.889   1704.92   110.720   108.914 3.8012  110.832 3.7297  -1.918594      5.325330 
1 1 1 2   -24 34 o 31.640  2.4854  140.870   20.614    129.061   29.387    152.311   28.924    30.238  3.7060  33.042  3.3128  -2.804804      4.970773 
1 1 1 2   -24 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 36 o 37.356  2.4053  198.556   23.503    171.781   33.971    223.136   32.549    34.725  3.7098  39.986  3.0624  -5.260445      4.810508 
1 1 1 2   -24 37 o 9.8798  2.9999  -3.6156   15.090    -19.0284  20.853    13.328    21.864    8.0472  3.7831  11.712  4.6567  -3.665262      5.999732 
1 1 1 2   -24 38 o 28.483  2.9946  121.566   21.840    101.419   31.044    141.311   30.732    25.798  4.6643  31.167  3.7571  -5.368479      5.989275 
1 1 1 2   -24 39 o 14.352  3.1875  23.646    17.008    -9.7964   23.693    59.197    24.429    9.3233  4.2583  19.381  4.7441  -10.05813      6.374942 
1 1 1 2   -24 40 o 16.448  3.4820  39.420    19.206    8.2026    26.328    74.925    28.078    11.409  4.8714  21.487  4.9766  -10.07764      6.963976 
1 1 1 2   -24 41 o 14.716  3.7328  34.946    18.668    32.964    25.532    37.224    27.364    14.378  5.1836  15.054  5.3728  -0.6755447     7.465670 
1 1 1 2   -24 42 o 14.812  3.6973  36.838    18.350    40.555    25.738    32.994    26.170    15.399  5.2281  14.225  5.2296  1.173941       7.394681 
1 1 1 2   -24 43 o 15.413  3.8448  41.007    20.302    27.774    28.038    55.591    29.435    13.422  5.2933  17.403  5.5778  -3.980280      7.689649 
1 1 1 2   -24 44 o 9.9549  3.1260  -6.2879   17.813    -29.1172  24.550    19.091    25.884    7.8328  3.7937  12.077  4.9695  -4.244102      6.252052 
1 1 1 2   -24 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -24 46 o 16.338  4.0919  57.091    22.768    45.664    31.817    69.086    32.597    14.775  5.6922  17.900  5.8798  -3.125331      8.183725 
1 1 1 2   -24 47 o 12.471  3.7423  30.046    21.745    24.765    29.965    35.922    31.604    11.907  5.1420  13.035  5.4385  -1.128045      7.484529 
1 1 1 2   -23 0  f 135.661 2.9267  2484.18   106.339   2475.24   150.958   2492.98   149.822   135.413 4.1620  135.909 4.1156  -0.4962921     5.853302 
1 1 1 2   -23 1  o 116.432 3.7496  1838.58   116.801   1872.84   162.301   1801.77   168.221   117.596 5.1527  115.268 5.4486  2.328613       7.499166 
1 1 1 2   -23 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -23 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -23 4  o 116.478 2.6401  1826.23   82.353    1798.20   116.973   1853.78   115.963   115.585 3.7783  117.372 3.6886  -1.786598      5.280288 
1 1 1 2   -23 5  o 197.226 3.9327  5263.39   207.748   5270.94   294.547   5255.92   293.060   197.363 5.5718  197.089 5.5514  0.2741089      7.865345 
1 1 1 2   -23 6  o 97.299  2.3205  1272.22   60.475    1279.09   85.916    1265.48   85.138    97.559  3.2879  97.040  3.2756  0.5194092      4.641082 
1 1 1 2   -23 7  o 198.167 3.8980  5309.08   206.900   5336.41   293.208   5281.98   291.996   198.676 5.5099  197.658 5.5154  1.017731       7.796014 
1 1 1 2   -23 8  o 104.757 2.4385  1475.11   68.400    1524.01   97.077    1426.90   96.391    106.487 3.4035  103.028 3.4929  3.458221       4.876956 
1 1 1 2   -23 9  o 97.675  2.3320  1281.99   61.004    1258.89   86.211    1305.15   86.333    96.792  3.3254  98.559  3.2703  -1.767509      4.664016 
1 1 1 2   -23 10 o 61.553  1.9569  508.472   32.259    496.791   45.272    520.521   45.979    60.835  2.7783  62.272  2.7566  -1.437054      3.913847 
1 1 1 2   -23 11 o 169.635 3.4379  3881.75   156.190   3819.01   220.779   3944.61   220.994   168.253 4.8990  171.016 4.8245  -2.763199      6.875752 
1 1 1 2   -23 12 o 208.669 4.0636  5891.04   227.120   5873.78   320.949   5908.36   321.445   208.361 5.7508  208.977 5.7428  -0.6153870     8.127194 
1 1 1 2   -23 13 f 170.500 3.4209  3922.09   156.225   3902.50   220.564   3941.81   221.308   170.072 4.8419  170.928 4.8339  -0.8566284     6.841774 
1 1 1 2   -23 14 o 120.088 2.6312  1939.97   84.622    1896.86   119.152   1983.85   120.201   118.738 3.7465  121.438 3.6954  -2.699821      5.262329 
1 1 1 2   -23 15 o 120.966 2.6405  1969.04   85.551    1970.64   120.487   1967.42   121.495   121.018 3.7171  120.914 3.7514  0.1039276      5.281062 
1 1 1 2   -23 16 o 71.724  2.0050  690.832   38.514    684.495   53.964    697.411   54.984    71.389  2.8222  72.058  2.8488  -0.6684341     4.010054 
1 1 1 2   -23 17 o 65.353  1.9421  574.972   33.899    620.997   47.738    528.157   48.146    68.006  2.6208  62.700  2.8668  5.305294       3.884248 
1 1 1 2   -23 18 o 103.354 2.3891  1437.33   66.136    1441.06   93.206    1433.55   93.860    103.491 3.3624  103.216 3.3950  0.2748718      4.778283 
1 1 1 2   -23 19 o 72.418  2.0197  704.794   39.174    696.415   54.971    713.440   55.839    71.981  2.8512  72.855  2.8615  -0.8735962     4.039480 
1 1 1 2   -23 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -23 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -23 22 o 62.909  2.4283  534.094   38.461    536.636   66.546    532.819   47.129    62.888  3.9710  62.931  2.7960  -0.4285049E-01 4.856602 
1 1 1 2   -23 23 o 38.460  1.9680  201.177   20.023    183.693   28.912    217.291   27.756    36.813  2.9572  40.108  2.5977  -3.295429      3.936075 
1 1 1 2   -23 24 f 63.069  1.9832  536.124   33.476    527.082   48.050    544.651   46.665    62.544  2.8683  63.595  2.7396  -1.050804      3.966386 
1 1 1 2   -23 25 o 35.888  2.0312  175.250   19.293    167.779   28.082    181.929   26.550    35.134  3.0133  36.643  2.7246  -1.509109      4.062494 
1 1 1 2   -23 26 o 64.974  2.0121  569.469   35.004    583.710   50.308    556.102   48.737    65.759  2.8562  64.189  2.8347  1.570137       4.024137 
1 1 1 2   -23 27 o 48.061  1.9436  312.443   24.890    323.983   36.235    302.133   34.248    48.897  2.7782  47.225  2.7190  1.671188       3.887286 
1 1 1 2   -23 28 o 65.960  2.0408  589.093   36.034    584.056   51.744    593.836   50.210    65.673  2.9416  66.248  2.8296  -0.5748749     4.081625 
1 1 1 2   -23 29 o 21.278  2.6431  63.439    14.447    74.919    20.996    53.116    19.910    23.202  3.4863  19.355  3.9737  3.846493       5.286273 
1 1 1 2   -23 30 o 21.304  2.8192  65.021    15.401    53.080    22.124    76.248    21.452    19.236  4.3906  23.371  3.5375  -4.135027      5.638416 
1 1 1 2   -23 31 o 40.763  2.0979  227.792   22.698    215.539   32.510    239.447   31.705    39.651  3.0853  41.875  2.8436  -2.223713      4.195849 
1 1 1 2   -23 32 o 47.645  2.0946  310.395   26.585    323.282   38.223    298.319   37.000    48.610  2.9497  46.680  2.9747  1.929722       4.189214 
1 1 1 2   -23 33 o 62.520  2.1755  535.747   36.352    526.176   51.875    544.981   50.956    61.907  3.1387  63.133  3.0133  -1.226238      4.351074 
1 1 1 2   -23 34 o 23.050  3.0752  78.556    18.090    54.632    25.849    101.523   25.327    19.232  4.9789  26.867  3.6108  -7.634693      6.150440 
1 1 1 2   -23 35 o 23.418  2.9732  78.995    17.939    85.832    26.181    72.944    24.630    24.412  4.1527  22.425  4.2562  1.987047       5.946461 
1 1 1 2   -23 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -23 37 o 15.890  3.3039  36.225    16.647    13.006    23.882    58.171    23.218    12.060  4.8425  19.719  4.4958  -7.658786      6.607740 
1 1 1 2   -23 38 o 27.340  2.8746  109.689   20.365    106.106   29.402    112.994   28.236    26.807  4.2355  27.874  3.8877  -1.067444      5.749295 
1 1 1 2   -23 39 o 23.127  3.3556  83.469    20.209    112.768   28.961    55.662    28.214    27.608  4.0357  18.647  5.3623  8.961012       6.711258 
1 1 1 2   -23 40 o 39.681  2.5934  231.584   27.008    204.489   38.640    257.466   37.764    37.125  3.9463  42.238  3.3660  -5.112972      5.186833 
1 1 1 2   -23 41 o 26.270  3.3196  109.785   22.409    121.896   31.476    97.337    31.910    28.077  4.3241  24.462  5.0379  3.615358       6.639158 
1 1 1 2   -23 42 o 20.339  3.7525  70.999    20.897    58.109    29.115    84.697    30.013    18.205  5.5037  22.473  5.1025  -4.268009      7.505047 
1 1 1 2   -23 43 o 19.474  3.9254  69.121    22.126    84.135    30.586    52.639    32.048    22.034  5.2561  16.913  5.8316  5.120466       7.850770 
1 1 1 2   -23 44 o 19.415  4.0759  70.571    22.695    66.917    31.012    74.784    33.301    18.958  5.6687  19.871  5.8580  -0.9133625     8.151733 
1 1 1 2   -23 45 o 11.327  5.0847  5.8676    32.072    5.8676    32.072    0.0000    0.0000    11.327  5.0847  ?       ?       ?              ?        
1 1 1 2   -23 46 o 10.108  3.2583  -5.6947   19.773    -23.5093  26.285    17.528    30.010    8.3215  4.0042  11.894  5.1412  -3.572839      6.516549 
1 1 1 2   -23 47 o 18.648  4.1018  75.551    22.764    67.497    31.582    84.259    32.841    17.500  5.7895  19.796  5.8122  -2.295877      8.203642 
1 1 1 2   -22 0  o 135.567 2.9281  2474.96   106.313   2526.27   151.009   2424.53   149.698   136.964 4.1163  134.169 4.1656  2.795166       5.856265 
1 1 1 2   -22 1  o 163.404 3.3773  3600.78   147.803   3569.25   209.663   3631.92   208.394   162.684 4.8116  164.123 4.7405  -1.438705      6.754531 
1 1 1 2   -22 2  o 127.331 2.8054  2181.32   95.663    2150.18   135.804   2212.00   134.777   126.423 4.0105  128.240 3.9238  -1.816818      5.610713 
1 1 1 2   -22 3  o 120.262 2.6513  1944.13   85.400    1951.54   121.371   1936.87   120.187   120.487 3.7608  120.036 3.7381  0.4507904      5.302592 
1 1 1 2   -22 4  o 115.293 2.5778  1786.10   79.592    1831.26   113.088   1741.78   112.039   116.740 3.6167  113.846 3.6742  2.893929       5.155585 
1 1 1 2   -22 5  o 183.944 3.7264  4562.50   183.587   4634.47   260.367   4491.33   258.900   185.393 5.2433  182.495 5.2965  2.898148       7.452870 
1 1 1 2   -22 6  o 315.688 5.9945  13579.66  506.875   13623.29  717.584   13536.21  716.077   316.197 8.4728  315.179 8.4823  1.018372       11.98905 
1 1 1 2   -22 7  o 60.651  1.9493  494.307   31.574    448.934   44.513    540.250   44.792    57.841  2.8732  63.461  2.6352  -5.620434      3.898658 
1 1 1 2   -22 8  o 148.494 3.0814  2966.41   122.556   2994.36   173.610   2938.65   173.033   149.193 4.3445  147.795 4.3710  1.398483       6.162806 
1 1 1 2   -22 9  o 141.509 2.9735  2693.20   112.695   2732.05   159.432   2654.41   159.317   142.533 4.1761  140.485 4.2339  2.047806       5.946947 
1 1 1 2   -22 10 o 123.884 2.6537  2062.30   88.055    2065.87   124.295   2058.71   124.765   123.992 3.7426  123.775 3.7633  0.2172775      5.307475 
1 1 1 2   -22 11 o 89.466  2.2163  1074.70   53.099    1088.67   74.699    1060.44   75.493    90.056  3.0968  88.876  3.1713  1.180092       4.432505 
1 1 1 2   -22 12 o 177.254 3.5108  4233.52   166.675   4278.23   235.490   4188.64   235.938   178.199 4.9338  176.310 4.9961  1.888947       7.021630 
1 1 1 2   -22 13 o 105.776 2.4114  1502.59   68.308    1463.98   96.036    1542.12   97.180    104.399 3.4344  107.153 3.3860  -2.754257      4.822846 
1 1 1 2   -22 14 o 213.091 4.1464  6136.66   236.592   6302.17   334.401   5970.78   334.783   215.995 5.7801  210.187 5.9466  5.808121       8.292864 
1 1 1 2   -22 15 f 88.566  2.1612  1053.02   51.266    1039.24   72.082    1067.13   72.927    87.980  3.0588  89.153  3.0540  -1.172943      4.322394 
1 1 1 2   -22 16 o 129.129 2.7232  2242.32   94.185    2225.41   132.876   2259.39   133.520   128.639 3.8564  129.619 3.8458  -0.9799652     5.446334 
1 1 1 2   -22 17 o 56.149  1.9172  424.058   28.688    382.827   40.246    466.649   40.905    53.328  2.8277  58.971  2.5897  -5.642799      3.834377 
1 1 1 2   -22 18 o 66.776  1.9474  598.775   34.819    611.185   49.008    586.127   49.478    67.477  2.7116  66.074  2.7957  1.402519       3.894704 
1 1 1 2   -22 19 o 185.233 3.6409  4636.36   180.642   4614.24   255.339   4658.52   255.595   184.788 5.1589  185.679 5.1393  -0.8908539     7.281900 
1 1 1 2   -22 20 o 78.165  2.0754  820.909   43.444    841.099   61.539    800.851   61.339    79.126  2.9037  77.204  2.9663  1.921585       4.150893 
1 1 1 2   -22 21 o 20.753  2.7269  60.132    14.555    69.114    20.600    51.180    20.567    22.388  3.5542  19.118  4.1366  3.269463       5.453738 
1 1 1 2   -22 22 o 102.513 2.4099  1414.85   66.170    1419.12   93.924    1410.65   93.236    102.665 3.4156  102.360 3.4006  0.3046494      4.819816 
1 1 1 2   -22 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -22 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -22 25 o 17.551  2.9181  44.429    13.765    29.411    20.184    57.486    18.820    14.764  4.6047  20.338  3.5858  -5.574141      5.836197 
1 1 1 2   -22 26 o 34.981  2.1249  167.563   19.528    152.289   28.696    180.736   26.650    33.433  3.2453  36.530  2.7437  -3.096252      4.249718 
1 1 1 2   -22 27 o 42.710  1.9914  247.289   22.594    243.880   33.036    250.285   30.970    42.414  2.9259  43.007  2.7023  -0.5937843     3.982812 
1 1 1 2   -22 28 o 67.924  2.0629  623.070   37.517    634.359   53.950    612.498   52.208    68.515  2.9398  67.333  2.8948  1.181786       4.125796 
1 1 1 2   -22 29 o 24.348  2.5343  82.674    15.942    76.678    23.171    88.064    21.967    23.433  3.8237  25.264  3.3272  -1.831348      5.068654 
1 1 1 2   -22 30 o 35.983  2.1313  175.920   20.285    196.300   29.817    158.359   27.677    37.939  2.9575  34.027  3.0698  3.912395       4.262695 
1 1 1 2   -22 31 o 9.4491  2.8039  0.5265    12.335    8.9597    17.533    -7.7384   17.357    10.582  4.1817  8.3164  3.7364  2.265386       5.607829 
1 1 1 2   -22 32 o 61.786  2.1214  520.686   35.027    507.768   49.942    533.192   49.140    60.971  3.0679  62.600  2.9307  -1.629066      4.242742 
1 1 1 2   -22 33 o 22.479  2.8927  72.424    16.669    58.187    23.458    86.946    23.691    20.064  4.4785  24.893  3.6626  -4.829187      5.785448 
1 1 1 2   -22 34 o 20.380  3.0951  60.114    16.418    69.091    23.480    51.526    22.965    21.957  4.1442  18.802  4.5982  3.155066       6.190159 
1 1 1 2   -22 35 o 19.497  3.1892  55.796    16.960    31.858    23.663    81.087    24.322    15.147  5.0114  23.847  3.9458  -8.699795      6.378360 
1 1 1 2   -22 36 o 42.243  2.3078  248.300   25.866    236.224   36.907    259.958   36.262    41.174  3.3762  43.313  3.1472  -2.138584      4.615622 
1 1 1 2   -22 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -22 38 o 7.3336  2.4763  -23.5570  13.629    -18.2727  18.043    -30.5775  20.797    7.3960  3.4898  7.2712  3.5141  0.1248403      4.952534 
1 1 1 2   -22 39 o 51.910  2.4168  383.302   33.275    421.613   47.165    345.336   46.952    54.658  3.2360  49.162  3.5905  5.496319       4.833572 
1 1 1 2   -22 40 o 22.355  3.4410  79.462    20.535    111.952   29.289    48.048    28.800    27.402  4.1178  17.308  5.5141  10.09442       6.882002 
1 1 1 2   -22 41 o 21.230  3.1916  74.305    20.103    129.333   28.233    17.707    28.632    29.624  3.6343  12.835  5.2477  16.78848       6.383300 
1 1 1 2   -22 42 o 29.234  3.1397  134.408   23.386    160.847   33.191    108.344   32.955    32.635  3.8726  25.832  4.9430  6.803747       6.279353 
1 1 1 2   -22 43 o 22.758  3.5751  87.406    21.296    75.279    30.130    99.513    30.104    20.814  5.3691  24.702  4.7221  -3.887644      7.150218 
1 1 1 2   -22 44 o 10.278  3.1969  2.9983    17.139    -2.7932   24.131    8.8941    24.347    9.6829  4.3727  10.874  4.6647  -1.190798      6.393750 
1 1 1 2   -22 45 o 7.4774  2.5473  -27.5465  15.571    -12.6797  20.945    -45.9132  23.280    8.1803  3.8282  6.7744  3.3615  1.405896       5.094598 
1 1 1 2   -22 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -22 47 o 10.858  3.4285  6.8120    20.996    21.153    28.784    -9.4943   30.693    11.998  5.1075  9.7180  4.5751  2.280440       6.856984 
1 1 1 2   -22 48 o 6.6107  2.3452  -49.7444  16.926    -57.2194  21.996    -38.8934  26.502    5.8682  2.9608  7.3533  3.6376  -1.485061      4.690312 
1 1 1 2   -21 0  o 229.713 4.4115  7133.27   271.383   7306.00   384.668   6962.10   382.924   232.503 6.1769  226.923 6.3001  5.579529       8.822949 
1 1 1 2   -21 1  o 300.041 5.6688  12233.70  455.523   12469.32  645.221   11999.55  643.196   302.957 7.9513  297.125 8.0819  5.831573       11.33759 
1 1 1 2   -21 2  o 70.101  2.0069  659.119   37.676    676.460   53.711    642.320   52.864    71.009  2.8240  69.192  2.8524  1.816299       4.013867 
1 1 1 2   -21 3  o 95.371  2.3299  1220.85   59.515    1236.27   84.547    1205.70   83.791    95.968  3.2891  94.773  3.3008  1.194572       4.659815 
1 1 1 2   -21 4  o 185.180 3.6994  4618.71   183.488   4670.26   260.177   4567.71   258.810   186.211 5.2164  184.149 5.2471  2.061844       7.398893 
1 1 1 2   -21 5  o 136.343 2.8826  2498.07   105.270   2516.74   149.346   2479.64   148.407   136.850 4.0744  135.837 4.0790  1.012894       5.765265 
1 1 1 2   -21 6  o 223.594 4.3614  6748.60   261.176   6647.10   369.786   6849.62   368.932   221.901 6.2216  225.287 6.1140  -3.385590      8.722890 
1 1 1 2   -21 7  o 127.308 2.7374  2177.30   93.342    2171.08   132.180   2183.48   131.833   127.126 3.8819  127.491 3.8606  -0.3646851     5.474789 
1 1 1 2   -21 8  o 40.158  1.9329  217.266   20.660    215.787   28.826    218.828   29.627    40.019  2.7051  40.296  2.7616  -0.2771873     3.865767 
1 1 1 2   -21 9  o 127.035 2.7168  2167.93   92.441    2172.94   130.669   2162.90   130.794   127.183 3.8358  126.887 3.8484  0.2954712      5.433550 
1 1 1 2   -21 10 o 165.667 3.3304  3692.87   147.774   3640.52   208.736   3745.47   209.232   164.485 4.7379  166.849 4.6818  -2.363312      6.660849 
1 1 1 2   -21 11 o 52.864  1.8892  374.676   26.662    348.214   36.929    403.490   38.534    50.878  2.7197  54.849  2.6230  -3.970463      3.778421 
1 1 1 2   -21 12 o 106.827 2.4271  1532.45   69.436    1551.54   97.790    1513.05   98.610    107.500 3.3962  106.153 3.4682  1.347427       4.854123 
1 1 1 2   -21 13 o 45.757  1.8925  281.998   23.066    286.845   32.044    276.786   33.229    46.173  2.6016  45.341  2.7492  0.8318329      3.785028 
1 1 1 2   -21 14 o 128.290 2.7299  2211.94   93.790    2251.72   132.311   2171.76   132.969   129.454 3.8158  127.125 3.9051  2.329239       5.459892 
1 1 1 2   -21 15 o 187.127 3.7113  4719.41   186.017   4713.79   262.771   4725.06   263.366   187.016 5.2458  187.238 5.2514  -0.2220459     7.422644 
1 1 1 2   -21 16 o 215.340 4.1744  6262.23   240.762   6326.92   340.251   6197.36   340.727   216.464 5.8685  214.216 5.9384  2.248688       8.348818 
1 1 1 2   -21 17 o 136.989 2.8630  2523.41   105.047   2498.43   148.233   2548.60   148.887   136.306 4.0601  137.671 4.0376  -1.364838      5.725978 
1 1 1 2   -21 18 o 144.668 2.9881  2816.10   115.779   2855.56   163.685   2776.59   163.786   145.688 4.1947  143.649 4.2568  2.038544       5.976269 
1 1 1 2   -21 19 o 107.238 2.4029  1545.04   69.018    1562.60   97.733    1527.58   97.479    107.847 3.3833  106.629 3.4131  1.218361       4.805835 
1 1 1 2   -21 20 o 50.902  1.8986  348.621   25.788    352.123   36.948    345.294   36.009    51.150  2.7065  50.654  2.6634  0.4959145      3.797217 
1 1 1 2   -21 21 o 41.932  1.9485  236.607   21.741    248.548   31.581    225.850   29.975    42.939  2.7606  40.924  2.7506  2.015007       3.896955 
1 1 1 2   -21 22 o 68.317  2.0138  626.683   36.836    633.306   52.918    620.457   51.308    68.665  2.8773  67.969  2.8183  0.6960831      4.027583 
1 1 1 2   -21 23 o 53.502  1.9649  386.811   27.966    356.415   40.328    414.967   38.814    51.415  2.9406  55.588  2.6069  -4.173092      3.929732 
1 1 1 2   -21 24 o 81.168  2.1625  886.823   46.973    865.472   67.339    907.060   65.557    80.207  3.1345  82.129  2.9801  -1.922279      4.325032 
1 1 1 2   -21 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -21 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -21 27 o 70.312  2.0757  666.638   39.059    651.396   55.969    681.108   54.535    69.518  3.0058  71.107  2.8633  -1.588844      4.151349 
1 1 1 2   -21 28 o 28.461  2.3239  112.439   17.091    96.372    25.056    126.420   23.373    26.440  3.6341  30.482  2.8976  -4.041811      4.647831 
1 1 1 2   -21 29 o 34.497  2.1391  161.344   19.523    173.925   28.733    150.557   26.607    35.749  3.0293  33.245  3.0210  2.504616       4.278200 
1 1 1 2   -21 30 o 30.458  2.2855  129.071   18.021    109.333   26.406    146.278   24.655    28.142  3.5845  32.773  2.8366  -4.631474      4.571091 
1 1 1 2   -21 31 o 29.206  2.3981  117.439   18.395    120.215   26.690    114.927   25.388    29.527  3.4391  28.885  3.3432  0.6421089      4.796288 
1 1 1 2   -21 32 o 59.508  2.0953  481.317   33.328    499.521   47.787    464.078   46.504    60.645  2.9419  58.370  2.9845  2.275517       4.190671 
1 1 1 2   -21 33 o 29.780  2.5145  123.224   19.253    153.797   28.019    95.877    26.499    33.435  3.1665  26.124  3.9071  7.310680       5.029071 
1 1 1 2   -21 34 o 71.066  2.2334  690.707   42.500    677.806   60.414    703.347   59.798    70.387  3.2045  71.744  3.1118  -1.357040      4.466764 
1 1 1 2   -21 35 o 16.138  3.2289  37.123    15.245    22.536    21.567    51.688    21.551    13.401  4.7713  18.876  4.3517  -5.474561      6.457792 
1 1 1 2   -21 36 o 19.559  3.1911  56.336    16.745    37.335    23.498    75.939    23.867    16.093  4.9601  23.024  4.0162  -6.931341      6.382196 
1 1 1 2   -21 37 o 33.521  2.5633  158.745   22.488    140.138   31.814    177.327   31.793    31.424  3.8610  35.619  3.3726  -4.195398      5.126565 
1 1 1 2   -21 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -21 39 o 53.162  2.3290  397.666   32.971    417.282   46.788    378.315   46.471    54.526  3.2178  51.797  3.3678  2.729019       4.657970 
1 1 1 2   -21 40 o 44.100  2.4720  278.632   28.889    261.020   41.117    295.803   40.600    42.599  3.6384  45.602  3.3473  -3.002335      4.943951 
1 1 1 2   -21 41 o 25.041  3.2820  97.367    21.106    81.548    29.810    113.269   29.887    22.651  5.0431  27.431  4.2016  -4.779688      6.564057 
1 1 1 2   -21 42 o 53.453  2.5149  419.023   35.762    397.287   50.409    441.047   50.741    51.935  3.6469  54.972  3.4639  -3.036896      5.029742 
1 1 1 2   -21 43 o 31.753  2.9873  156.661   24.630    173.148   34.992    140.473   34.674    33.687  3.9532  29.819  4.4798  3.868137       5.974641 
1 1 1 2   -21 44 o 14.529  3.6360  31.193    19.248    9.3735    26.264    56.507    28.289    11.236  4.8332  17.822  5.4335  -6.586516      7.272005 
1 1 1 2   -21 45 o 10.435  3.2980  1.6155    18.798    3.1180    25.171    -0.2793   28.267    10.361  4.5865  10.509  4.7405  -0.1483784     6.596038 
1 1 1 2   -21 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -21 47 o 13.247  3.3549  31.539    15.521    19.616    27.943    36.859    18.666    11.953  5.0578  14.541  4.4092  -2.587998      6.709895 
1 1 1 2   -21 48 f 7.8354  2.6088  -7.7484   12.971    -20.8584  25.946    -3.3803   14.976    8.2200  3.9609  7.4508  3.3962  0.7692595      5.217594 
1 1 1 2   -20 0  o 117.190 2.5869  1844.02   81.167    1918.38   115.463   1771.38   114.124   119.530 3.6064  114.850 3.7098  4.679398       5.173895 
1 1 1 2   -20 1  o 119.119 2.6520  1905.43   84.612    1915.58   120.259   1895.48   119.069   119.433 3.7593  118.806 3.7417  0.6268311      5.304026 
1 1 1 2   -20 2  o 30.430  1.9593  125.206   15.793    127.304   22.456    123.154   22.215    30.685  2.7619  30.175  2.7799  0.5102997      3.918640 
1 1 1 2   -20 3  o 82.076  2.1565  903.706   47.406    918.461   67.394    889.256   66.696    82.740  3.0410  81.413  3.0586  1.326920       4.313069 
1 1 1 2   -20 4  o 199.306 3.9021  5351.13   208.303   5332.75   295.161   5369.37   294.011   198.961 5.5386  199.651 5.4980  -0.6904907     7.804109 
1 1 1 2   -20 5  o 178.347 3.5595  4281.06   170.017   4218.23   240.841   4343.48   240.042   177.035 5.0791  179.660 4.9882  -2.624969      7.118948 
1 1 1 2   -20 6  o 160.737 3.2636  3474.36   140.505   3508.06   199.031   3440.87   198.380   161.516 4.6006  159.958 4.6302  1.558456       6.527219 
1 1 1 2   -20 7  o 107.520 2.4254  1551.77   69.846    1566.30   98.864    1537.29   98.691    108.023 3.4169  107.016 3.4430  1.006889       4.850750 
1 1 1 2   -20 8  o 112.743 2.5168  1706.53   76.001    1687.91   107.322   1725.26   107.641   112.125 3.5735  113.361 3.5450  -1.236115      5.033633 
1 1 1 2   -20 9  o 31.524  1.9624  134.652   16.355    142.055   22.800    126.805   23.474    32.439  2.6472  30.609  2.8976  1.829454       3.924734 
1 1 1 2   -20 10 o 239.880 4.5901  7771.13   294.913   7836.05   416.898   7706.11   417.242   240.892 6.4613  238.868 6.5214  2.023956       9.180247 
1 1 1 2   -20 11 o 104.683 2.3469  1470.99   65.798    1482.37   92.669    1459.42   93.441    105.093 3.2921  104.273 3.3456  0.8204422      4.693719 
1 1 1 2   -20 12 o 219.014 4.2210  6470.91   247.613   6493.65   349.876   6448.09   350.479   219.404 5.9536  218.624 5.9852  0.7794342      8.442026 
1 1 1 2   -20 13 o 265.340 5.0434  9529.30   358.410   9383.22   506.440   9675.89   507.298   263.284 7.1815  267.397 7.0830  -4.113220      10.08677 
1 1 1 2   -20 14 f 118.145 2.5415  1874.40   80.424    1851.81   113.357   1897.29   114.119   117.428 3.6041  118.863 3.5845  -1.434837      5.083073 
1 1 1 2   -20 15 o 185.242 3.6863  4622.85   182.891   4675.30   258.430   4570.22   258.865   186.302 5.1789  184.182 5.2473  2.119812       7.372596 
1 1 1 2   -20 16 o 294.491 5.6127  11776.68  442.718   11838.13  625.870   11715.15  626.325   295.272 7.9136  293.710 7.9614  1.562164       11.22537 
1 1 1 2   -20 17 o 108.121 2.4205  1569.71   70.096    1561.52   98.859    1577.99   99.405    107.837 3.4226  108.404 3.4235  -0.5673141     4.840935 
1 1 1 2   -20 18 o 141.725 2.9293  2700.76   111.199   2702.30   157.205   2699.22   157.313   141.765 4.1401  141.684 4.1453  0.8149719E-01  5.858644 
1 1 1 2   -20 19 o 42.103  1.9009  239.424   21.148    277.628   30.250    202.896   29.578    45.428  2.4956  38.779  2.8680  6.648918       3.801763 
1 1 1 2   -20 20 o 137.609 2.8572  2546.58   105.312   2558.51   149.322   2534.77   148.549   137.930 4.0418  137.289 4.0397  0.6410522      5.714478 
1 1 1 2   -20 21 o 90.597  2.2317  1102.16   54.146    1104.91   77.311    1099.51   75.856    90.706  3.1821  90.488  3.1298  0.2180557      4.463342 
1 1 1 2   -20 22 o 72.261  2.0416  700.919   39.505    705.824   56.562    696.246   55.201    72.506  2.9125  72.016  2.8618  0.4905472      4.083145 
1 1 1 2   -20 23 o 171.587 3.4498  3973.47   158.542   4027.39   225.115   3920.42   223.319   172.746 4.8653  170.429 4.8921  2.316925       6.899513 
1 1 1 2   -20 24 o 142.185 2.9858  2725.11   113.706   2744.54   161.852   2706.18   159.778   142.683 4.2351  141.688 4.2101  0.9950256      5.971682 
1 1 1 2   -20 25 o 63.346  2.0418  539.264   34.611    540.524   50.079    538.112   47.890    63.412  2.9485  63.280  2.8254  0.1320686      4.083694 
1 1 1 2   -20 26 o 169.351 3.4613  3886.52   156.995   3953.25   222.913   3820.84   221.147   170.803 4.8725  167.900 4.9175  2.903076       6.922625 
1 1 1 2   -20 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -20 28 o 59.097  2.0475  469.914   32.381    481.876   47.001    459.106   44.674    59.808  2.9340  58.386  2.8567  1.421223       4.095004 
1 1 1 2   -20 29 o 49.816  2.0516  336.908   27.156    314.413   39.137    357.794   37.711    48.175  3.0487  51.457  2.7460  -3.281429      4.103118 
1 1 1 2   -20 30 o 26.237  2.4693  94.816    16.913    96.658    24.398    93.113    23.467    26.479  3.5279  25.995  3.4560  0.4833260      4.938619 
1 1 1 2   -20 31 o 31.108  2.2361  132.273   18.359    138.535   26.486    126.482   25.472    31.825  3.1484  30.390  3.1762  1.435219       4.472173 
1 1 1 2   -20 32 o 27.024  2.5241  102.901   17.400    81.980    25.055    122.393   24.184    24.167  4.0113  29.882  3.0649  -5.714621      5.048216 
1 1 1 2   -20 33 o 23.983  2.6909  80.545    16.689    86.340    24.086    75.194    23.146    24.848  3.7346  23.118  3.8751  1.730083       5.381807 
1 1 1 2   -20 34 o 14.879  3.1491  29.230    14.481    13.352    19.947    46.923    21.056    11.716  4.5090  18.041  4.3975  -6.324111      6.298292 
1 1 1 2   -20 35 o 32.528  2.3960  147.024   20.428    165.515   29.030    128.887   28.751    34.649  3.1628  30.407  3.6000  4.242249       4.792048 
1 1 1 2   -20 36 o 38.865  2.2951  208.946   23.651    199.431   33.480    218.424   33.414    37.945  3.3278  39.785  3.1617  -1.840107      4.590216 
1 1 1 2   -20 37 f 34.161  2.5081  164.067   22.235    197.604   31.860    132.221   31.046    37.755  3.1801  30.568  3.8793  7.187656       5.016165 
1 1 1 2   -20 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -20 39 o 39.567  2.4910  221.299   26.118    226.152   37.010    216.485   36.864    40.022  3.4873  39.111  3.5578  0.9107323      4.981918 
1 1 1 2   -20 40 o 13.775  3.2488  19.888    17.141    50.354    23.989    -11.8950  24.502    18.095  4.8505  9.4557  4.3233  8.639506       6.497561 
1 1 1 2   -20 41 o 20.532  3.5650  67.177    19.916    85.683    28.047    48.358    28.284    23.657  4.5918  17.406  5.4546  6.251034       7.130017 
1 1 1 2   -20 42 o 31.951  2.8930  153.738   24.094    162.927   33.634    144.052   34.533    33.125  3.8634  30.776  4.3073  2.349699       5.786011 
1 1 1 2   -20 43 o 25.719  3.4164  106.454   22.609    90.490    31.470    123.486   32.505    23.376  5.1639  28.063  4.4747  -4.687145      6.832862 
1 1 1 2   -20 44 o 20.292  3.4652  66.145    21.482    21.298    28.780    122.568   32.280    12.891  5.2648  27.693  4.5070  -14.80125      6.930418 
1 1 1 2   -20 45 o 12.266  3.5240  18.550    18.590    28.259    25.626    7.7635    27.009    13.421  5.1236  11.111  4.8398  2.309462       7.048025 
1 1 1 2   -20 46 o 17.348  3.3748  55.161    16.450    39.369    29.408    62.353    19.846    14.852  5.5279  19.844  3.8728  -4.992103      6.749554 
1 1 1 2   -20 47 o 12.678  3.5393  22.581    15.832    38.146    31.509    17.324    18.311    14.329  5.6240  11.026  4.2986  3.302909       7.078589 
1 1 1 2   -20 48 o 7.9760  2.6175  -5.6398   12.776    -27.7701  26.305    1.1931    14.616    7.9880  3.8825  7.9641  3.5118  0.2392721E-01  5.235070 
1 1 1 2   -19 0  o 206.927 4.0805  5769.67   226.154   5844.97   320.541   5695.05   319.124   208.277 5.7458  205.578 5.7956  2.699249       8.161073 
1 1 1 2   -19 1  o 43.077  1.8313  249.720   21.031    252.468   29.732    246.968   29.752    43.316  2.5742  42.837  2.6054  0.4785080      3.662568 
1 1 1 2   -19 2  o 165.116 3.3609  3666.13   148.637   3683.73   210.882   3648.76   209.534   165.509 4.7570  164.723 4.7491  0.7864685      6.721802 
1 1 1 2   -19 3  o 158.040 3.2550  3357.83   137.782   3348.60   195.387   3366.95   194.325   157.822 4.6221  158.258 4.5843  -0.4367981     6.509966 
1 1 1 2   -19 4  o 136.598 2.8664  2506.24   104.873   2510.32   148.766   2502.20   147.863   136.708 4.0627  136.488 4.0446  0.2195740      5.732775 
1 1 1 2   -19 5  o 120.983 2.6164  1965.00   84.784    1973.44   120.171   1956.64   119.636   121.242 3.7005  120.725 3.6998  0.5171738      5.232785 
1 1 1 2   -19 6  o 200.267 3.9049  5401.03   209.412   5549.28   296.561   5253.60   295.746   203.022 5.4536  197.513 5.5903  5.509262       7.809807 
1 1 1 2   -19 7  o 115.701 2.5087  1796.87   77.742    1815.23   109.941   1778.51   109.948   116.294 3.5295  115.109 3.5661  1.185043       5.017400 
1 1 1 2   -19 8  o 361.719 6.7852  17813.20  657.242   18247.75  929.839   17379.31  929.124   366.198 9.4799  357.240 9.7101  8.958984       13.57035 
1 1 1 2   -19 9  o 166.056 3.3183  3707.56   147.583   3664.85   208.434   3750.51   208.997   165.094 4.7135  167.018 4.6718  -1.924179      6.636518 
1 1 1 2   -19 10 o 154.500 3.1147  3208.39   128.853   3107.57   181.770   3310.22   182.684   152.053 4.4631  156.947 4.3457  -4.894211      6.229321 
1 1 1 2   -19 11 o 90.129  2.1565  1089.58   52.047    1055.54   73.126    1124.53   74.094    88.701  3.0779  91.556  3.0214  -2.855637      4.313022 
1 1 1 2   -19 12 o 47.425  1.7507  301.741   22.150    277.264   30.840    327.817   31.831    45.402  2.5463  49.448  2.4034  -4.046520      3.501426 
1 1 1 2   -19 13 o 78.310  1.9980  822.554   41.905    821.979   58.907    823.144   59.626    78.283  2.8094  78.338  2.8417  -0.5410767E-01 3.995962 
1 1 1 2   -19 14 o 108.285 2.4080  1574.16   69.831    1597.50   98.484    1550.55   99.031    109.095 3.3703  107.474 3.4401  1.620239       4.815973 
1 1 1 2   -19 15 o 149.810 3.0730  3017.23   123.305   3019.37   174.109   3015.07   174.652   149.864 4.3375  149.755 4.3541  0.1091156      6.145905 
1 1 1 2   -19 16 o 86.385  2.1045  1001.23   48.691    984.231   68.674    1018.43   69.048    85.647  2.9936  87.124  2.9589  -1.477013      4.209084 
1 1 1 2   -19 17 o 130.002 2.7371  2270.71   95.308    2279.36   134.777   2262.05   134.794   130.250 3.8632  129.753 3.8785  0.4970551      5.474227 
1 1 1 2   -19 18 o 88.893  2.1616  1060.64   51.458    1037.94   72.867    1083.22   72.679    87.942  3.0935  89.844  3.0201  -1.901970      4.323291 
1 1 1 2   -19 19 o 62.271  1.9163  520.115   31.958    525.107   45.613    515.301   44.790    62.564  2.7219  61.978  2.6981  0.5860023      3.832543 
1 1 1 2   -19 20 o 196.405 3.8623  5202.94   203.157   5125.07   287.855   5280.23   286.763   194.927 5.5133  197.882 5.4104  -2.954681      7.724555 
1 1 1 2   -19 21 o 45.394  1.9253  277.952   23.248    268.538   33.670    286.529   32.138    44.646  2.8302  46.143  2.6111  -1.496796      3.850693 
1 1 1 2   -19 22 o 98.754  2.3455  1309.37   62.030    1333.22   88.758    1286.61   86.725    99.632  3.3260  97.876  3.3081  1.755409       4.691020 
1 1 1 2   -19 23 o 48.536  1.9508  317.329   25.202    314.774   36.779    319.591   34.603    48.342  2.8531  48.730  2.6612  -0.3878708     3.901582 
1 1 1 2   -19 24 o 133.455 2.8523  2397.19   101.945   2401.06   145.293   2393.44   143.076   133.556 4.0615  133.353 4.0057  0.2029724      5.704511 
1 1 1 2   -19 25 o 86.275  2.2282  1000.48   51.458    995.657   74.019    1004.98   71.588    86.068  3.2108  86.482  3.0905  -0.4135742     4.456484 
1 1 1 2   -19 26 o 22.399  2.8231  69.354    16.250    81.893    23.735    58.289    22.296    24.379  3.7553  20.419  4.2164  3.960726       5.646260 
1 1 1 2   -19 27 o 26.024  2.6496  95.264    17.469    74.975    25.470    113.284   24.003    23.203  4.2550  28.845  3.1584  -5.641315      5.299129 
1 1 1 2   -19 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -19 29 o 60.413  2.0588  491.112   33.297    511.845   47.942    471.792   46.280    61.644  2.9036  59.181  2.9196  2.462868       4.117622 
1 1 1 2   -19 30 o 49.054  2.0864  325.532   27.275    332.353   39.257    319.167   37.923    49.548  2.9717  48.559  2.9294  0.9890823      4.172841 
1 1 1 2   -19 31 o 54.184  2.0858  397.477   30.136    405.241   43.597    390.373   41.703    54.683  2.9879  53.684  2.9111  0.9994278      4.171560 
1 1 1 2   -19 32 o 25.213  2.5836  88.269    16.913    87.456    24.523    89.007    23.357    25.073  3.7681  25.354  3.5357  -0.2801056     5.167159 
1 1 1 2   -19 33 o 43.396  2.1601  256.851   24.905    276.361   35.580    238.110   34.872    45.042  2.9657  41.750  3.1414  3.291370       4.320177 
1 1 1 2   -19 34 o 30.219  2.3730  126.174   18.871    122.133   26.783    130.157   26.593    29.713  3.4282  30.725  3.2822  -1.011896      4.746087 
1 1 1 2   -19 35 o 72.757  2.2516  723.290   43.877    731.304   61.959    715.228   62.143    73.172  3.1614  72.343  3.2071  0.8292694      4.503267 
1 1 1 2   -19 36 o 37.094  2.3580  190.893   23.037    212.816   32.579    168.968   32.580    39.320  3.1190  34.869  3.5373  4.451080       4.715989 
1 1 1 2   -19 37 o 47.312  2.2828  309.530   28.652    279.707   40.312    339.979   40.733    44.930  3.3743  49.694  3.0753  -4.763588      4.565501 
1 1 1 2   -19 38 f 29.052  2.7754  120.569   20.918    130.402   29.124    110.091   30.064    30.411  3.6482  27.692  4.1836  2.719099       5.550890 
1 1 1 2   -19 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -19 40 o 24.338  3.1504  88.048    19.779    87.984    27.865    88.113    28.080    24.337  4.4382  24.338  4.4723  -0.7743835E-03 6.300750 
1 1 1 2   -19 41 o 20.003  3.4129  63.285    18.344    76.442    24.908    47.693    27.116    22.579  4.2752  17.426  5.3211  5.152487       6.825828 
1 1 1 2   -19 42 o 22.964  3.4582  83.524    20.633    93.662    28.760    72.771    29.618    24.695  4.5144  21.233  5.2398  3.461544       6.916304 
1 1 1 2   -19 43 o 11.110  3.3117  7.8543    16.846    1.3776    22.558    16.021    25.331    10.054  4.4000  12.167  4.9506  -2.112245      6.623373 
1 1 1 2   -19 44 o 13.189  3.6122  24.495    18.866    33.788    24.259    10.274    30.011    14.453  5.0686  11.925  5.1479  2.528175       7.224389 
1 1 1 2   -19 45 o 18.543  3.3617  55.659    15.872    63.616    28.570    52.107    19.089    18.962  5.3775  18.124  4.0358  0.8380527      6.723465 
1 1 1 2   -19 46 o 9.7512  2.8142  -12.9646  12.043    34.169    23.422    -29.9051  14.041    14.214  4.9806  5.2879  2.6216  8.926445       5.628386 
1 1 1 2   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -19 48 o 19.486  3.5701  73.725    18.669    62.586    32.715    79.104    22.735    17.118  5.8926  21.854  4.0325  -4.736343      7.140267 
1 1 1 2   -19 49 o 9.0778  2.7123  1.3700    14.067    -47.4809  26.125    21.314    16.693    6.9732  3.4765  11.182  4.1643  -4.209276      5.424684 
1 1 1 2   -18 0  o 178.479 3.5774  4284.83   171.018   4280.19   242.415   4289.43   241.302   178.381 5.0737  178.578 5.0448  -0.1967773     7.154881 
1 1 1 2   -18 1  o 52.491  1.8578  370.723   26.000    343.176   36.953    397.729   36.588    50.515  2.7414  54.467  2.5079  -3.952480      3.715535 
1 1 1 2   -18 2  o 91.873  2.2153  1132.58   54.498    1110.92   77.523    1153.75   76.628    91.002  3.1805  92.744  3.0847  -1.742325      4.430645 
1 1 1 2   -18 3  o 197.529 3.9105  5251.54   206.882   5195.66   293.099   5307.01   292.053   196.475 5.5695  198.583 5.4907  -2.108154      7.820996 
1 1 1 2   -18 4  o 116.752 2.5455  1829.19   79.599    1848.63   112.957   1810.02   112.187   117.368 3.5931  116.135 3.6065  1.232925       5.090945 
1 1 1 2   -18 5  f 9.3376  2.3402  10.065    7.3430    8.8026    10.671    11.200    10.120    9.1038  3.3405  9.5713  3.2781  -0.4675655     4.680305 
1 1 1 2   -18 6  o 33.102  1.7636  147.723   15.521    148.494   21.898    146.944   22.004    33.190  2.4812  33.013  2.5071  0.1770210      3.527300 
1 1 1 2   -18 7  o 302.289 5.6626  12361.77  458.365   12694.17  648.542   12030.01  647.910   306.389 7.9027  298.189 8.1121  8.199799       11.32515 
1 1 1 2   -18 8  o 136.639 2.8076  2506.75   102.745   2543.90   145.173   2469.46   145.436   137.656 3.9373  135.622 4.0036  2.034653       5.615284 
1 1 1 2   -18 9  o 162.324 3.2548  3540.56   141.511   3535.31   199.805   3545.84   200.450   162.204 4.5989  162.445 4.6069  -0.2402802     6.509505 
1 1 1 2   -18 10 o 239.828 4.5591  7754.72   292.836   7871.33   413.936   7637.88   414.329   241.646 6.3954  238.010 6.4992  3.635727       9.118134 
1 1 1 2   -18 11 o 189.056 3.6989  4808.21   187.302   4837.60   264.598   4778.71   265.172   189.638 5.2092  188.473 5.2528  1.164764       7.397804 
1 1 1 2   -18 12 o 75.859  1.9595  771.553   39.808    751.558   55.945    792.060   56.656    74.863  2.7900  76.855  2.7522  -1.992073      3.919005 
1 1 1 2   -18 13 o 203.193 3.9286  5559.14   213.799   5625.41   302.204   5492.73   302.510   204.413 5.5195  201.974 5.5918  2.438843       7.857111 
1 1 1 2   -18 14 o 173.253 3.4195  4036.77   158.682   4045.46   224.214   4028.05   224.607   173.441 4.8264  173.065 4.8453  0.3764343      6.838950 
1 1 1 2   -18 15 o 233.879 4.4754  7380.05   280.356   7380.81   396.325   7379.29   396.643   233.892 6.3263  233.866 6.3320  0.2568054E-01  8.950761 
1 1 1 2   -18 16 o 172.157 3.4418  3988.18   158.656   4109.15   224.473   3867.44   224.274   174.777 4.7950  169.536 4.9389  5.241196       6.883643 
1 1 1 2   -18 17 f 40.462  1.7514  220.212   18.877    231.827   27.029    209.154   26.374    41.509  2.4418  39.414  2.5113  2.094986       3.502761 
1 1 1 2   -18 18 o 75.025  1.9672  754.758   39.514    786.268   56.441    724.466   55.339    76.562  2.7523  73.489  2.8114  3.073036       3.934341 
1 1 1 2   -18 19 o 132.609 2.7701  2363.16   98.383    2343.44   139.788   2382.52   138.490   132.057 3.9520  133.162 3.8828  -1.104401      5.540292 
1 1 1 2   -18 20 o 65.542  1.9336  576.726   33.909    564.752   48.790    587.913   47.160    64.880  2.8076  66.204  2.6595  -1.323082      3.867225 
1 1 1 2   -18 21 o 79.700  2.1106  852.320   45.036    856.757   64.740    848.160   62.691    79.898  3.0251  79.501  2.9441  0.3974075      4.221247 
1 1 1 2   -18 22 o 141.930 2.9715  2708.72   112.935   2797.17   160.872   2622.78   158.580   144.220 4.1645  139.641 4.2398  4.578735       5.943014 
1 1 1 2   -18 23 o 197.737 3.9029  5276.84   206.707   5283.45   293.419   5270.33   291.250   197.855 5.5367  197.619 5.5023  0.2362061      7.805837 
1 1 1 2   -18 24 o 99.162  2.3814  1321.95   63.200    1288.39   90.458    1353.95   88.337    97.924  3.4488  100.400 3.2849  -2.475624      4.762853 
1 1 1 2   -18 25 o 118.140 2.6709  1879.43   84.414    1791.86   120.223   1964.58   118.553   115.407 3.8893  120.872 3.6618  -5.465485      5.341846 
1 1 1 2   -18 26 o 111.364 2.5773  1668.34   76.871    1681.22   109.522   1655.82   107.918   111.786 3.6578  110.942 3.6317  0.8441849      5.154519 
1 1 1 2   -18 27 o 116.906 2.6524  1840.76   83.049    1837.53   118.133   1843.93   116.777   116.800 3.7761  117.012 3.7259  -0.2121048     5.304854 
1 1 1 2   -18 28 o 93.486  2.3465  1176.54   58.752    1187.61   83.755    1165.82   82.436    93.917  3.3295  93.055  3.3074  0.8621445      4.692994 
1 1 1 2   -18 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -18 30 o 31.175  2.3344  132.114   19.130    147.214   27.913    118.739   26.270    32.883  3.2101  29.468  3.3901  3.415041       4.668816 
1 1 1 2   -18 31 o 20.033  2.9470  56.345    15.336    71.739    22.317    42.572    21.110    22.708  3.8038  17.358  4.5023  5.350166       5.894004 
1 1 1 2   -18 32 o 11.849  3.0293  15.283    12.530    9.3597    17.261    21.879    18.216    10.641  4.1665  13.057  4.3985  -2.416395      6.058638 
1 1 1 2   -18 33 o 50.905  2.1249  352.472   28.799    376.260   40.906    329.094   40.552    52.637  2.9127  49.173  3.0947  3.464890       4.249831 
1 1 1 2   -18 34 o 34.803  2.2893  166.267   21.054    154.280   29.569    178.595   29.986    33.493  3.3406  36.113  3.1310  -2.620094      4.578505 
1 1 1 2   -18 35 f 18.994  3.1076  52.329    15.541    59.217    21.416    44.667    22.587    20.387  4.0645  17.600  4.7019  2.786659       6.215117 
1 1 1 2   -18 36 o 48.036  2.2041  316.676   28.191    324.172   39.621    308.990   40.119    48.636  3.0570  47.436  3.1759  1.199894       4.408152 
1 1 1 2   -18 37 o 10.000  2.9055  2.0937    13.478    14.716    17.855    -14.6282  20.550    11.533  4.3043  8.4683  3.9038  3.064257       5.810969 
1 1 1 2   -18 38 o 49.552  2.3104  339.744   30.428    311.972   42.496    368.964   43.589    47.417  3.3679  51.687  3.1637  -4.270645      4.620834 
1 1 1 2   -18 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -18 40 o 30.540  2.8471  135.286   22.559    143.916   31.008    125.582   32.879    31.753  3.7162  29.328  4.3145  2.424746       5.694294 
1 1 1 2   -18 41 o 13.553  3.3679  15.788    17.358    -8.9554   22.937    48.957    26.556    9.3637  4.2427  17.741  5.2315  -8.377673      6.735720 
1 1 1 2   -18 42 o 22.614  3.5316  81.131    20.846    91.032    28.652    69.996    30.385    24.404  4.5506  20.823  5.4019  3.581434       7.063162 
1 1 1 2   -18 43 o 8.2128  2.6222  -4.5332   11.334    -4.7003   20.575    -4.4603   13.580    9.0731  4.0728  7.3524  3.3040  1.720720       5.244422 
1 1 1 2   -18 44 o 12.091  3.2311  17.308    13.400    30.206    24.459    11.777    16.018    13.965  5.0675  10.218  4.0100  3.746840       6.462107 
1 1 1 2   -18 45 o 10.301  3.0774  6.4694    13.658    15.940    24.381    2.1376    16.489    11.802  4.8357  8.8004  3.8074  3.001417       6.154707 
1 1 1 2   -18 46 o 26.885  3.0996  118.405   20.085    107.699   34.030    124.128   24.881    24.937  5.2603  28.832  3.2803  -3.894182      6.199291 
1 1 1 2   -18 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -18 48 o 13.921  3.5477  26.632    15.744    60.926    30.566    14.248    18.368    17.354  5.6935  10.488  4.2343  6.865328       7.095397 
1 1 1 2   -18 49 o 16.483  3.5855  56.371    17.590    47.470    32.981    59.910    20.795    14.561  5.7413  18.404  4.2965  -3.843818      7.170929 
1 1 1 2   -17 0  o 23.748  1.9261  77.255    11.838    63.150    16.725    91.414    16.757    21.496  2.9855  26.001  2.4345  -4.505369      3.852272 
1 1 1 2   -17 1  o 137.775 2.9329  2549.27   108.196   2485.90   153.469   2611.89   152.560   136.067 4.2109  139.483 4.0835  -3.416214      5.865724 
1 1 1 2   -17 2  f 358.747 6.7561  17461.32  648.980   16954.36  918.056   17967.71  917.536   353.473 9.6967  364.022 9.4104  -10.54840      13.51225 
1 1 1 2   -17 3  o 251.865 4.8197  8549.36   325.140   8528.84   460.357   8569.78   459.279   251.559 6.8323  252.170 6.7998  -0.6106720     9.639329 
1 1 1 2   -17 4  o 94.208  3.1232  1191.53   78.782    1186.67   109.888   1196.66   113.007   94.014  4.3638  94.403  4.4692  -0.3891144     6.246347 
1 1 1 2   -17 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 13 o 103.642 2.8446  1464.97   74.271    1372.79   127.010   1512.88   91.557    101.080 4.6912  106.204 3.2186  -5.123421      5.689124 
1 1 1 2   -17 14 o 174.402 3.4247  4088.71   159.954   4166.03   226.130   4011.28   226.288   176.058 4.7953  172.745 4.8907  3.313324       6.849321 
1 1 1 2   -17 15 o 145.447 2.9381  2841.17   114.463   2851.86   161.842   2830.46   161.908   145.721 4.1465  145.172 4.1639  0.5496521      5.876300 
1 1 1 2   -17 16 o 203.252 3.9380  5563.84   214.272   5786.46   303.450   5342.46   302.605   207.329 5.4643  199.176 5.6722  8.152512       7.876090 
1 1 1 2   -17 17 o 66.256  1.8839  589.014   33.414    573.903   47.652    603.631   46.867    65.418  2.7196  67.095  2.6079  -1.676605      3.767895 
1 1 1 2   -17 18 o 225.460 4.3315  6856.82   261.555   6967.36   370.632   6747.16   369.161   227.280 6.0883  223.640 6.1628  3.639862       8.662960 
1 1 1 2   -17 19 f 43.934  1.8092  260.066   21.151    253.753   30.722    265.755   29.163    43.417  2.6545  44.451  2.4590  -1.034485      3.618449 
1 1 1 2   -17 20 o 101.904 2.3308  1394.21   63.599    1382.17   90.892    1405.76   89.022    101.469 3.3443  102.338 3.2476  -0.8689194     4.661669 
1 1 1 2   -17 21 o 252.350 4.8580  8618.29   328.342   8556.99   465.341   8679.07   463.357   251.441 6.9095  253.259 6.8307  -1.817535      9.715914 
1 1 1 2   -17 22 o 124.963 2.7161  2098.16   90.899    2117.72   129.757   2079.31   127.378   125.533 3.8591  124.394 3.8230  1.139549       5.432140 
1 1 1 2   -17 23 o 142.080 2.9927  2714.68   113.880   2751.50   162.241   2678.92   159.884   143.029 4.2349  141.131 4.2296  1.898178       5.985310 
1 1 1 2   -17 24 o 120.629 2.6876  1955.71   86.828    1966.51   123.839   1945.26   121.773   120.954 3.8225  120.304 3.7790  0.6500778      5.375190 
1 1 1 2   -17 25 o 170.246 3.4875  3907.59   159.014   3870.06   225.631   3944.61   224.137   169.424 4.9720  171.067 4.8917  -1.642365      6.974923 
1 1 1 2   -17 26 o 133.301 2.8633  2391.36   102.230   2408.26   145.285   2374.79   143.876   133.767 4.0549  132.836 4.0438  0.9308777      5.726651 
1 1 1 2   -17 27 o 66.535  2.1242  594.311   37.838    607.899   54.535    581.698   52.543    67.267  3.0268  65.804  2.9811  1.462486       4.248349 
1 1 1 2   -17 28 o 85.427  2.2635  981.360   51.789    991.043   73.725    971.927   72.767    85.842  3.2065  85.011  3.1957  0.8307037      4.527039 
1 1 1 2   -17 29 o 19.420  2.9505  53.020    15.672    87.467    22.768    22.002    21.605    25.250  3.4572  13.589  4.7822  11.66094       5.900969 
1 1 1 2   -17 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 31 o 45.892  2.1048  285.106   25.731    282.007   36.483    288.174   36.294    45.639  3.0013  46.145  2.9519  -0.5066223     4.209670 
1 1 1 2   -17 32 o 13.774  3.1890  24.956    13.559    25.676    18.678    24.154    19.713    13.868  4.4430  13.679  4.5758  0.1888618      6.377985 
1 1 1 2   -17 33 o 51.463  2.1198  359.744   29.072    371.685   40.905    347.555   41.327    52.345  2.9293  50.581  3.0649  1.763855       4.239582 
1 1 1 2   -17 34 o 39.368  2.1734  211.625   22.726    216.575   31.962    206.564   32.319    39.849  3.0169  38.886  3.1295  0.9639664      4.346849 
1 1 1 2   -17 35 o 30.972  2.3579  132.243   19.249    129.745   26.896    134.866   27.559    30.671  3.3274  31.273  3.3418  -0.6023922     4.715840 
1 1 1 2   -17 36 o 52.326  2.2191  375.702   30.894    391.914   43.036    358.465   44.376    53.542  3.0131  51.110  3.2586  2.431648       4.438147 
1 1 1 2   -17 37 o 30.175  2.5563  127.274   20.208    130.443   27.998    123.827   29.198    30.619  3.4754  29.732  3.7497  0.8863163      5.112655 
1 1 1 2   -17 38 o 24.448  2.9463  85.469    18.558    83.349    25.268    87.953    27.346    24.154  4.0489  24.742  4.2814  -0.5874710     5.892685 
1 1 1 2   -17 39 o 26.342  2.9631  100.533   20.040    107.227   27.302    92.713    29.509    27.469  3.8137  25.215  4.5361  2.253702       5.926273 
1 1 1 2   -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -17 41 o 32.395  3.1465  147.695   25.934    121.616   32.676    192.088   42.632    28.698  4.3905  36.091  4.5084  -7.392948      6.293013 
1 1 1 2   -17 42 o 21.492  3.0654  68.992    16.271    72.375    27.999    67.267    19.993    21.535  4.9567  21.450  3.6080  0.8578491E-01  6.130794 
1 1 1 2   -17 43 o 37.929  2.3487  204.001   22.951    222.409   37.693    193.155   28.933    38.995  3.6513  36.862  2.9552  2.132446       4.697412 
1 1 1 2   -17 44 o 15.552  3.3573  35.382    14.428    52.001    26.064    28.040    17.325    17.642  5.1774  13.462  4.2755  4.179789       6.714562 
1 1 1 2   -17 45 o 19.307  3.3035  63.823    16.552    51.821    28.562    69.892    20.311    17.192  5.4928  21.423  3.6717  -4.231844      6.606997 
1 1 1 2   -17 46 o 34.627  2.6281  177.665   23.165    204.053   38.959    163.233   28.811    36.124  4.0991  33.130  3.2903  2.993919       5.256259 
1 1 1 2   -17 47 o 30.010  4.8103  151.094   37.360    151.094   37.360    0.0000    0.0000    30.010  4.8103  ?       ?       ?              ?        
1 1 1 2   -17 48 o 11.322  3.1929  17.132    15.780    -5.4113   27.862    27.778    19.146    9.8012  4.5279  12.842  4.5029  -3.040927      6.385759 
1 1 1 2   -17 49 o 11.234  3.2989  18.441    15.672    17.061    28.385    19.046    18.796    11.423  4.9686  11.045  4.3409  0.3772192      6.597808 
1 1 1 2   -16 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -16 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -16 2  o 40.133  2.5740  220.186   27.020    196.189   39.883    240.543   36.734    38.036  3.9734  42.230  3.2732  -4.193703      5.147976 
1 1 1 2   -16 3  o 165.954 3.3373  3696.76   148.342   3692.52   210.223   3700.96   209.356   165.859 4.7321  166.050 4.7071  -0.1913300     6.674568 
1 1 1 2   -16 4  o 152.145 3.0936  3105.82   126.065   3142.65   178.583   3069.24   177.984   153.046 4.3564  151.245 4.3935  1.800461       6.187191 
1 1 1 2   -16 5  f 307.115 5.7142  12708.49  470.047   12779.76  665.006   12637.32  664.487   307.980 8.0614  306.250 8.1007  1.730133       11.42838 
1 1 1 2   -16 6  o 64.670  1.8550  560.406   32.130    554.894   45.201    566.037   45.682    64.349  2.6225  64.992  2.6242  -0.6428604     3.709976 
1 1 1 2   -16 7  o 146.385 2.9932  2874.61   117.339   2805.32   165.662   2944.37   166.224   144.612 4.2769  148.158 4.1887  -3.545517      5.986407 
1 1 1 2   -16 8  o 229.263 4.3807  7063.81   268.994   6967.62   380.049   7160.38   380.781   227.694 6.2316  230.832 6.1587  -3.137512      8.761428 
1 1 1 2   -16 9  o 311.814 5.8569  13103.85  489.156   13186.99  691.540   13020.60  692.003   312.811 8.2537  310.817 8.3122  1.993530       11.71387 
1 1 1 2   -16 10 o 142.890 2.8829  2738.83   110.318   2674.37   155.622   2803.95   156.409   141.198 4.1148  144.582 4.0388  -3.384415      5.765777 
1 1 1 2   -16 11 o 265.130 5.0352  9462.40   357.568   9500.43   505.448   9424.29   505.907   265.667 7.1032  264.593 7.1384  1.073395       10.07035 
1 1 1 2   -16 12 o 241.048 4.5707  7817.52   295.062   7965.27   417.185   7669.63   417.377   243.338 6.4007  238.759 6.5265  4.579498       9.141364 
1 1 1 2   -16 13 o 181.626 3.5451  4430.92   172.457   4462.64   243.757   4399.12   244.027   182.279 4.9927  180.973 5.0343  1.306152       7.090158 
1 1 1 2   -16 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -16 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -16 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -16 17 o 121.143 2.6034  1969.80   84.467    1964.38   120.126   1975.10   118.795   120.977 3.7072  121.310 3.6560  -0.3334656     5.206731 
1 1 1 2   -16 18 o 206.475 4.0331  5741.92   223.036   5703.50   316.178   5779.97   314.668   205.781 5.7364  207.169 5.6707  -1.388229      8.066171 
1 1 1 2   -16 19 f 73.263  1.9761  719.622   38.763    728.351   55.732    711.441   53.950    73.692  2.8235  72.834  2.7655  0.8582840      3.952252 
1 1 1 2   -16 20 o 58.029  1.8606  450.903   28.888    465.817   42.062    437.586   39.744    58.935  2.6646  57.123  2.5976  1.811806       3.721236 
1 1 1 2   -16 21 o 204.428 3.9660  5633.40   217.147   5731.68   308.310   5536.65   305.889   206.204 5.5822  202.652 5.6354  3.551102       7.932088 
1 1 1 2   -16 22 o 85.733  2.1878  986.794   50.210    975.033   71.992    997.934   70.063    85.232  3.1535  86.234  3.0333  -1.002228      4.375582 
1 1 1 2   -16 23 o 86.344  2.1977  1001.09   50.795    986.755   72.823    1014.68   70.885    85.737  3.1711  86.950  3.0437  -1.212608      4.395434 
1 1 1 2   -16 24 o 93.051  2.3011  1162.15   57.342    1188.34   81.952    1137.02   80.261    94.079  3.2522  92.024  3.2562  2.054268       4.602185 
1 1 1 2   -16 25 o 165.769 3.4055  3702.28   151.179   3630.85   214.159   3773.24   213.443   164.164 4.8705  167.374 4.7611  -3.210052      6.810962 
1 1 1 2   -16 26 o 159.323 3.2957  3419.75   140.638   3456.25   199.184   3383.46   198.602   160.174 4.6427  158.471 4.6789  1.703079       6.591431 
1 1 1 2   -16 27 o 85.163  2.2487  974.611   51.219    1043.80   72.928    907.265   71.950    88.154  3.0886  82.172  3.2690  5.982040       4.497339 
1 1 1 2   -16 28 o 108.953 2.5786  1597.49   75.241    1628.15   106.451   1566.88   106.362   110.003 3.6129  107.904 3.6801  2.098885       5.157171 
1 1 1 2   -16 29 o 125.764 2.8288  2133.12   95.283    2159.56   134.565   2106.54   134.937   126.552 3.9699  124.976 4.0310  1.576187       5.657653 
1 1 1 2   -16 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -16 31 o 71.685  2.2155  692.405   42.531    675.084   59.595    710.385   60.717    70.770  3.1439  72.600  3.1224  -1.829926      4.430950 
1 1 1 2   -16 32 o 17.464  3.1054  42.832    14.528    37.835    19.926    48.504    21.228    16.403  4.4308  18.525  4.3522  -2.121696      6.210793 
1 1 1 2   -16 33 o 35.871  2.2154  175.248   21.065    169.916   29.446    180.836   30.148    35.306  3.1468  36.436  3.1192  -1.130482      4.430754 
1 1 1 2   -16 34 o 44.064  2.1614  264.303   25.345    262.557   35.370    266.146   36.336    43.921  3.0250  44.207  3.0881  -0.2857246     4.322899 
1 1 1 2   -16 35 o 40.455  2.2383  224.326   23.999    232.292   33.211    215.620   34.717    41.249  3.0271  39.661  3.2980  1.587364       4.476608 
1 1 1 2   -16 36 o 18.265  3.0303  49.527    15.281    70.612    20.973    25.667    22.311    22.432  3.6135  14.097  4.8655  8.334535       6.060520 
1 1 1 2   -16 37 o 41.697  2.2820  238.889   25.265    230.417   34.832    248.296   36.702    40.922  3.2034  42.472  3.2510  -1.549980      4.564090 
1 1 1 2   -16 38 o 34.719  2.5042  169.531   22.679    186.475   31.081    150.236   33.167    36.734  3.1905  32.704  3.8607  4.030163       5.008437 
1 1 1 2   -16 39 o 53.017  2.3427  389.009   33.074    374.003   45.689    405.528   47.939    51.948  3.3008  54.087  3.3252  -2.139450      4.685301 
1 1 1 2   -16 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -16 41 o 27.545  2.4518  107.477   17.189    110.510   27.811    105.603   21.865    27.671  3.8571  27.418  3.0278  0.2532043      4.903584 
1 1 1 2   -16 42 o 11.917  3.1654  17.480    13.228    14.177    23.449    19.022    16.020    12.006  4.8063  11.829  4.1205  0.1777601      6.330868 
1 1 1 2   -16 43 o 28.867  2.5887  117.319   19.055    143.735   31.649    102.299   23.865    31.202  3.8700  26.531  3.4392  4.671558       5.177333 
1 1 1 2   -16 44 o 52.771  2.3321  400.626   32.199    420.060   50.964    387.714   41.541    53.478  3.5786  52.065  2.9913  1.412773       4.664196 
1 1 1 2   -16 45 o 19.917  3.3151  68.891    17.046    51.274    29.650    77.588    20.833    17.113  5.6072  22.721  3.5384  -5.607885      6.630269 
1 1 1 2   -16 46 o 17.387  3.4726  45.027    16.081    74.239    29.358    32.506    19.221    20.648  5.2858  14.125  4.5052  6.522674       6.945210 
1 1 1 2   -16 47 o 19.210  3.5441  66.459    17.998    56.813    32.551    70.707    21.600    17.274  5.8794  21.145  3.9593  -3.871132      7.088276 
1 1 1 2   -16 48 o 20.972  3.6900  79.427    19.587    82.454    35.696    78.123    23.429    20.106  6.0976  21.839  4.1572  -1.732773      7.379905 
1 1 1 2   -16 49 o 9.2553  2.9571  2.0125    13.616    4.3154    27.897    1.2925    15.600    10.324  4.6784  8.1863  3.6179  2.138053       5.914145 
1 1 1 2   -15 0  o 166.659 3.4005  3730.48   151.620   3527.53   214.664   3932.51   214.184   162.123 4.9434  171.196 4.6709  -9.073105      6.801096 
1 1 1 2   -15 1  o 174.166 3.5040  4070.60   163.447   4022.87   231.627   4117.94   230.673   173.146 4.9945  175.185 4.9160  -2.039413      7.007952 
1 1 1 2   -15 2  o 275.111 5.1909  10178.87  382.252   10629.29  541.516   9731.52   539.662   281.201 7.1896  269.021 7.4894  12.17984       10.38179 
1 1 1 2   -15 3  o 18.566  2.0759  47.365    9.9702    49.319    14.015    45.364    14.186    18.975  2.8453  18.156  3.0234  0.8188248      4.151717 
1 1 1 2   -15 4  o 293.875 5.5263  11610.69  434.991   11566.66  615.391   11654.67  614.950   293.315 7.8330  294.434 7.7976  -1.118835      11.05254 
1 1 1 2   -15 5  o 194.934 3.7747  5097.85   197.087   5097.06   278.738   5098.65   278.707   194.919 5.3389  194.950 5.3375  -0.3033447E-01 7.549352 
1 1 1 2   -15 6  o 84.540  2.0573  958.657   46.474    877.529   65.437    1041.22   66.015    80.925  3.0189  88.154  2.7958  -7.228745      4.114675 
1 1 1 2   -15 7  o 428.464 7.9188  24768.58  908.782   24815.93  1285.02   24721.21  1285.40   428.877 11.186  428.050 11.211  0.8262329      15.83753 
1 1 1 2   -15 8  o 251.860 4.7607  8519.07   321.105   8334.36   453.642   8704.55   454.582   249.117 6.7986  254.603 6.6659  -5.486069      9.521305 
1 1 1 2   -15 9  o 264.851 5.0007  9423.49   354.751   9411.62   501.377   9435.38   502.010   264.685 7.0721  265.018 7.0721  -0.3339233     10.00143 
1 1 1 2   -15 10 o 266.082 5.0173  9513.56   357.550   9648.41   505.483   9378.53   505.821   267.976 7.0424  264.189 7.1482  3.787384       10.03453 
1 1 1 2   -15 11 o 263.655 4.9986  9342.92   352.965   9496.14   499.073   9189.58   499.262   265.826 7.0094  261.484 7.1284  4.341461       9.997289 
1 1 1 2   -15 12 o 204.076 3.9061  5590.52   213.512   5574.21   301.763   5606.88   302.142   203.777 5.5287  204.374 5.5195  -0.5969238     7.812201 
1 1 1 2   -15 13 o 67.996  1.8417  619.590   33.538    630.518   47.428    608.658   47.433    68.596  2.5813  67.395  2.6276  1.200287       3.683448 
1 1 1 2   -15 14 o 165.684 3.2968  3684.00   146.298   3728.73   207.090   3639.45   206.704   166.689 4.6383  164.678 4.6862  2.011154       6.593551 
1 1 1 2   -15 15 o 116.096 2.5088  1807.63   78.009    1793.33   110.725   1821.72   109.921   115.639 3.5748  116.553 3.5210  -0.9140778     5.017664 
1 1 1 2   -15 16 o 159.197 3.1596  3402.20   134.708   3481.15   191.261   3324.49   189.760   161.033 4.4343  157.362 4.5021  3.670868       6.319167 
1 1 1 2   -15 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -15 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -15 19 o 18.029  2.4232  45.637    11.256    73.530    16.565    21.714    15.341    23.260  2.7096  12.798  4.0182  10.46220       4.846398 
1 1 1 2   -15 20 o 89.990  2.1943  1086.02   52.876    1102.84   75.918    1070.16   73.687    90.666  3.1262  89.314  3.0802  1.351166       4.388690 
1 1 1 2   -15 21 o 179.510 3.5698  4337.48   171.627   4297.99   243.693   4376.34   241.752   178.692 5.0915  180.329 5.0051  -1.636612      7.139698 
1 1 1 2   -15 22 o 127.293 2.7719  2177.62   94.480    2135.89   134.312   2218.50   132.928   126.079 3.9772  128.506 3.8619  -2.427147      5.543717 
1 1 1 2   -15 23 o 125.975 2.7488  2132.50   92.745    2125.92   131.701   2138.97   130.628   125.780 3.9092  126.170 3.8654  -0.3901978     5.497549 
1 1 1 2   -15 24 o 73.104  2.0787  716.940   40.690    742.951   58.042    691.802   57.059    74.409  2.9122  71.799  2.9670  2.609703       4.157439 
1 1 1 2   -15 25 o 68.897  2.0899  636.930   38.519    680.941   55.017    594.614   53.947    71.234  2.8835  66.559  3.0260  4.675110       4.179856 
1 1 1 2   -15 26 o 85.642  2.2804  985.094   52.283    1024.32   74.117    946.246   73.763    87.343  3.1681  83.941  3.2808  3.402260       4.560728 
1 1 1 2   -15 27 f 143.716 3.0585  2780.82   117.730   2807.38   166.307   2754.14   166.685   144.408 4.2996  143.023 4.3511  1.384689       6.117089 
1 1 1 2   -15 28 o 155.696 3.2549  3268.89   135.731   3303.44   191.568   3234.07   192.340   156.530 4.5692  154.863 4.6370  1.667648       6.509884 
1 1 1 2   -15 29 o 162.887 3.4028  3585.19   148.448   3623.77   209.359   3546.17   210.520   163.780 4.7725  161.993 4.8519  1.786621       6.805649 
1 1 1 2   -15 30 o 133.261 2.9589  2397.88   105.610   2379.04   148.533   2417.13   150.191   132.734 4.1778  133.788 4.1912  -1.054703      5.917799 
1 1 1 2   -15 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -15 32 o 37.109  2.2148  186.757   21.785    181.306   29.971    192.863   31.721    36.539  3.0914  37.680  3.1725  -1.140884      4.429610 
1 1 1 2   -15 33 o 126.012 2.8771  2158.35   97.091    2102.28   136.070   2216.52   138.579   124.337 4.0857  127.687 4.0520  -3.349617      5.754272 
1 1 1 2   -15 34 f 14.598  3.2326  28.887    14.035    26.475    19.156    31.683    20.622    14.037  4.4997  15.159  4.6425  -1.122047      6.465282 
1 1 1 2   -15 35 o 16.661  3.1570  39.822    14.425    43.998    19.538    34.817    21.389    17.562  4.2085  15.760  4.7068  1.801908       6.313937 
1 1 1 2   -15 36 o 39.912  2.2670  218.558   23.998    220.686   33.195    216.228   34.733    40.144  3.1115  39.681  3.2978  0.4634590      4.533979 
1 1 1 2   -15 37 o 21.103  3.1532  67.093    17.429    90.134    23.756    40.229    25.650    25.384  3.5943  16.821  5.1819  8.563606       6.306491 
1 1 1 2   -15 38 o 72.586  2.2156  724.336   42.782    695.096   63.549    748.573   57.857    71.134  3.3353  74.038  2.9175  -2.903999      4.431274 
1 1 1 2   -15 39 o 11.314  2.9371  14.553    11.191    16.445    19.272    13.591    13.746    12.018  4.4746  10.609  3.8057  1.408472       5.874168 
1 1 1 2   -15 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -15 41 o 31.105  2.4526  137.438   19.285    135.650   31.705    138.489   24.297    30.695  3.9478  31.516  2.9113  -0.8204842     4.905119 
1 1 1 2   -15 42 o 21.828  3.1149  79.477    17.011    45.226    27.814    99.944    21.500    17.085  5.4164  26.571  3.0780  -9.486324      6.229841 
1 1 1 2   -15 43 o 49.092  2.3407  346.160   29.817    335.844   47.190    353.015   38.470    48.105  3.6906  50.080  2.8801  -1.975002      4.681381 
1 1 1 2   -15 44 o 36.532  2.5691  199.595   23.527    184.153   38.623    208.706   29.667    34.804  4.2300  38.260  2.9169  -3.455883      5.138238 
1 1 1 2   -15 45 f 9.2959  2.8370  3.4339    11.745    3.4913    22.428    3.4122    13.787    10.170  4.4201  8.4221  3.5576  1.747757       5.673968 
1 1 1 2   -15 46 o 7.8011  2.5442  -8.2433   12.132    -30.7393  23.642    -0.2020   14.135    7.6584  3.7127  7.9439  3.4795  -0.2854581     5.088323 
1 1 1 2   -15 47 o 19.059  3.5920  61.170    17.674    69.415    31.974    57.542    21.209    19.319  5.7514  18.799  4.3048  0.5200481      7.183983 
1 1 1 2   -15 48 o 35.275  2.8585  194.374   25.142    213.682   43.249    184.518   30.899    35.709  4.6309  34.841  3.3524  0.8675537      5.716971 
1 1 1 2   -15 49 o 15.205  3.6587  37.417    16.659    69.816    31.471    24.805    19.635    18.286  5.7575  12.123  4.5160  6.162838       7.317332 
1 1 1 2   -14 0  f 347.330 6.4920  16234.24  603.889   15957.33  854.264   16510.84  853.793   344.355 9.2618  350.306 9.0995  -5.950623      12.98391 
1 1 1 2   -14 1  o 331.146 6.1942  14746.13  549.225   14316.68  776.938   15175.10  776.506   326.306 8.8894  335.985 8.6285  -9.678833      12.38840 
1 1 1 2   -14 2  f 400.420 7.4460  21583.54  798.587   21489.36  1129.82   21677.58  1128.92   399.542 10.557  401.298 10.503  -1.756531      14.89195 
1 1 1 2   -14 3  o 243.003 4.6698  7923.95   303.898   8098.64   430.252   7750.03   429.302   245.681 6.5383  240.326 6.6692  5.354904       9.339552 
1 1 1 2   -14 4  o 388.831 7.1697  20335.35  746.706   20424.76  1056.24   20246.02  1055.76   389.689 10.119  387.974 10.160  1.715485       14.33944 
1 1 1 2   -14 5  o 122.586 2.5844  2013.65   84.856    1994.06   119.910   2033.31   120.098   121.989 3.6698  123.184 3.6399  -1.195236      5.168829 
1 1 1 2   -14 6  o 394.809 7.2774  20966.71  769.508   21297.69  1088.33   20635.84  1088.17   397.938 10.211  391.680 10.372  6.258484       14.55484 
1 1 1 2   -14 7  o 149.170 3.0110  2982.22   120.302   2968.21   169.829   2996.34   170.437   148.818 4.2606  149.522 4.2557  -0.7035065     6.021907 
1 1 1 2   -14 8  o 139.656 2.8648  2613.80   107.161   2605.04   151.257   2622.64   151.843   139.421 4.0504  139.891 4.0524  -0.4700775     5.729568 
1 1 1 2   -14 9  o 148.571 2.9726  2958.88   118.271   3019.28   167.035   2898.15   167.486   150.093 4.1549  147.049 4.2523  3.044189       5.945203 
1 1 1 2   -14 10 o 307.284 5.7213  12683.19  470.893   12677.72  665.701   12688.66  666.185   307.217 8.0899  307.350 8.0923  -0.1322632     11.44258 
1 1 1 2   -14 11 f 253.409 4.7712  8619.14   323.845   8620.71   457.819   8617.57   458.152   253.432 6.7444  253.385 6.7506  0.4656982E-01  9.542383 
1 1 1 2   -14 12 o 104.544 2.2711  1464.51   63.596    1463.96   89.876    1465.06   89.999    104.524 3.2103  104.563 3.2134  -0.3909302E-01 4.542245 
1 1 1 2   -14 13 o 160.385 3.2219  3449.67   138.376   3541.02   195.904   3358.72   195.483   162.506 4.5007  158.263 4.6115  4.243195       6.443774 
1 1 1 2   -14 14 o 275.842 5.1776  10227.93  382.508   10391.82  541.471   10064.67  540.426   278.055 7.2704  273.629 7.3737  4.425934       10.35517 
1 1 1 2   -14 15 o 155.086 3.1160  3226.01   129.433   3231.09   183.743   3221.01   182.358   155.206 4.4199  154.965 4.3934  0.2409668      6.231977 
1 1 1 2   -14 16 o 304.776 5.7214  12516.18  467.053   12490.50  661.302   12541.75  659.726   304.460 8.1092  305.092 8.0731  -0.6322632     11.44271 
1 1 1 2   -14 17 o 101.942 2.3232  1393.45   63.419    1392.27   90.711    1394.58   88.698    101.899 3.3236  101.986 3.2470  -0.8741760E-01 4.646416 
1 1 1 2   -14 18 o 64.368  1.8885  554.919   32.537    567.366   47.093    543.551   45.006    65.058  2.7025  63.679  2.6387  1.378628       3.777077 
1 1 1 2   -14 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -14 20 o 43.113  1.8097  249.492   20.751    275.560   30.086    225.840   28.658    45.269  2.4909  40.958  2.6261  4.311256       3.619492 
1 1 1 2   -14 21 o 71.177  1.9995  679.707   38.101    669.186   54.456    689.797   53.329    70.635  2.8783  71.718  2.7762  -1.083282      3.998966 
1 1 1 2   -14 22 o 82.329  2.1310  909.940   46.963    882.323   66.872    936.816   65.970    81.093  3.0787  83.566  2.9473  -2.473152      4.262074 
1 1 1 2   -14 23 o 118.090 2.6136  1873.11   82.655    1916.15   117.046   1830.31   116.737   119.446 3.6584  116.733 3.7336  2.713051       5.227207 
1 1 1 2   -14 24 o 52.729  1.9554  374.240   27.492    347.272   39.023    400.814   38.738    50.794  2.8802  54.664  2.6457  -3.870483      3.910894 
1 1 1 2   -14 25 o 60.383  2.0045  489.525   32.395    468.185   45.880    510.740   45.746    59.068  2.8999  61.699  2.7681  -2.631458      4.008981 
1 1 1 2   -14 26 o 67.877  2.1002  618.349   38.183    616.598   53.863    620.118   54.136    67.780  2.9669  67.973  2.9734  -0.1928329     4.200443 
1 1 1 2   -14 27 o 145.686 3.1000  2857.41   120.946   2907.46   170.569   2806.80   171.523   146.978 4.3327  144.394 4.4349  2.583755       6.200043 
1 1 1 2   -14 28 o 129.815 2.8853  2267.71   100.300   2200.04   141.003   2337.02   142.704   127.849 4.1176  131.781 4.0429  -3.931770      5.770576 
1 1 1 2   -14 29 o 68.270  2.1371  626.018   39.068    619.525   54.515    632.874   56.017    67.908  2.9971  68.632  3.0472  -0.7241592     4.274145 
1 1 1 2   -14 30 o 174.061 3.6052  4103.25   168.053   4161.33   236.731   4044.23   238.606   175.325 5.0411  172.798 5.1553  2.526947       7.210385 
1 1 1 2   -14 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -14 32 o 95.664  2.4806  1235.63   63.545    1235.12   88.847    1236.16   90.920    95.653  3.4678  95.675  3.5479  -0.2249908E-01 4.961189 
1 1 1 2   -14 33 o 59.737  2.1686  482.909   34.578    495.335   48.036    469.547   49.814    60.593  2.9598  58.880  3.1702  1.713142       4.337121 
1 1 1 2   -14 34 o 45.594  2.1925  283.085   26.546    292.244   36.644    272.971   38.507    46.404  2.9637  44.784  3.2319  1.619427       4.385051 
1 1 1 2   -14 35 o 52.015  2.1973  367.561   30.431    342.699   42.075    394.829   44.065    50.158  3.1478  53.873  3.0664  -3.715607      4.394519 
1 1 1 2   -14 36 o 15.427  3.1234  20.398    15.080    -0.9658   18.233    66.648    26.827    9.3405  4.0224  21.514  4.7795  -12.17378      6.246883 
1 1 1 2   -14 37 o 54.198  2.0647  400.119   29.640    407.634   44.891    394.311   39.466    54.591  3.0827  53.804  2.7477  0.7865105      4.129495 
1 1 1 2   -14 38 o 31.203  2.1912  131.208   17.847    157.378   27.960    113.215   23.185    33.782  3.1255  28.624  3.0721  5.158039       4.382490 
1 1 1 2   -14 39 o 47.471  2.1539  311.911   26.825    299.561   41.167    321.025   35.365    46.523  3.3255  48.418  2.7382  -1.894932      4.307736 
1 1 1 2   -14 40 o 25.737  4.2967  95.845    28.576    95.845    28.576    0.0000    0.0000    25.737  4.2967  ?       ?       ?              ?        
1 1 1 2   -14 41 f 10.663  2.9807  10.098    11.969    12.475    20.955    8.9474    14.582    11.539  4.5680  9.7877  3.8303  1.751592       5.961379 
1 1 1 2   -14 42 o 57.596  2.2865  469.942   34.506    444.496   53.225    488.392   45.320    55.901  3.5734  59.290  2.8538  -3.389027      4.573072 
1 1 1 2   -14 43 o 16.856  3.3256  44.211    15.236    42.835    25.556    44.969    18.977    16.513  5.1865  17.199  4.1640  -0.6858654     6.651237 
1 1 1 2   -14 44 o 21.733  3.1193  82.809    17.303    41.029    27.942    108.797   22.037    15.949  5.4472  27.516  3.0409  -11.56682      6.238526 
1 1 1 2   -14 45 o 14.364  3.2748  33.969    14.894    19.929    25.604    41.150    18.311    12.590  5.0285  16.139  4.1966  -3.549133      6.549662 
1 1 1 2   -14 46 o 55.853  2.3804  450.082   34.773    517.855   56.075    407.737   44.324    58.868  3.5732  52.838  3.1461  6.030037       4.760859 
1 1 1 2   -14 47 f 11.214  2.9854  14.045    14.957    -28.8215  28.054    31.068    17.679    8.5889  4.1338  13.840  4.3084  -5.251158      5.970819 
1 1 1 2   -14 48 o 12.684  3.5073  23.973    15.952    28.300    30.801    22.387    18.647    13.371  5.4519  11.998  4.4138  1.372529       7.014635 
1 1 1 2   -14 49 o 9.8388  3.0603  6.0190    15.550    -6.5529   27.600    11.865    18.822    9.5465  4.4433  10.131  4.2094  -0.5846014     6.120584 
1 1 1 2   -13 0  o 84.494  2.1623  958.742   48.780    872.920   69.139    1043.80   68.832    80.718  3.1979  88.269  2.9113  -7.550827      4.324613 
1 1 1 2   -13 1  o 396.840 7.3926  21175.88  785.655   20744.50  1111.26   21606.99  1110.91   392.782 10.563  400.897 10.346  -8.114716      14.78521 
1 1 1 2   -13 2  o 369.036 6.8956  18298.97  681.576   18493.03  964.528   18105.41  963.262   370.996 9.7064  367.076 9.7971  3.919800       13.79121 
1 1 1 2   -13 3  o 248.562 4.7391  8286.98   315.506   8210.66   446.362   8363.19   446.024   247.416 6.7355  249.708 6.6686  -2.291367      9.478273 
1 1 1 2   -13 4  o 305.289 5.6767  12510.64  464.056   12862.85  656.607   12159.15  655.942   309.591 7.9182  300.986 8.1363  8.605103       11.35334 
1 1 1 2   -13 5  o 393.152 7.2355  20771.90  761.924   20884.23  1077.49   20659.56  1077.55   394.218 10.204  392.085 10.261  2.133606       14.47096 
1 1 1 2   -13 6  o 333.494 6.2076  14933.30  554.449   14698.97  783.684   15168.15  784.535   330.868 8.8430  336.119 8.7142  -5.251495      12.41515 
1 1 1 2   -13 7  o 518.035 9.5749  36159.51  1328.55   36244.43  1878.63   36074.54  1879.08   518.647 13.523  517.422 13.559  1.225220       19.14972 
1 1 1 2   -13 8  o 233.357 4.4014  7302.60   275.096   7222.05   388.700   7383.44   389.390   232.067 6.2533  234.648 6.1955  -2.581467      8.802784 
1 1 1 2   -13 9  o 335.677 6.2363  15131.68  560.702   15242.33  792.790   15020.94  793.115   336.909 8.7853  334.446 8.8536  2.462738       12.47270 
1 1 1 2   -13 10 o 474.821 8.7319  30360.62  1110.53   30433.15  1570.41   30288.06  1570.64   475.391 12.333  474.250 12.365  1.141266       17.46390 
1 1 1 2   -13 11 o 225.112 4.2972  6796.43   259.090   6870.79   366.378   6722.05   366.439   226.346 6.0432  223.879 6.1108  2.466797       8.594333 
1 1 1 2   -13 12 o 234.733 4.4489  7391.96   279.661   7568.74   395.697   7215.52   395.304   237.542 6.2192  231.924 6.3635  5.617523       8.897890 
1 1 1 2   -13 13 o 272.724 5.1572  9984.71   376.720   10057.62  533.163   9912.02   532.361   273.720 7.2722  271.728 7.3145  1.992096       10.31438 
1 1 1 2   -13 14 o 261.450 4.8958  9176.97   342.811   9354.36   485.611   9000.75   484.009   263.974 6.8681  258.926 6.9789  5.047363       9.791656 
1 1 1 2   -13 15 o 97.413  2.2800  1272.60   59.443    1233.57   84.839    1310.23   83.312    95.943  3.3014  98.882  3.1456  -2.939133      4.560008 
1 1 1 2   -13 16 o 329.079 6.1532  14580.59  542.361   14675.01  768.076   14486.68  765.956   330.145 8.6858  328.013 8.7181  2.131805       12.30649 
1 1 1 2   -13 17 o 160.714 3.2213  3465.55   138.652   3446.10   197.184   3484.56   195.002   160.266 4.5935  161.163 4.5174  -0.8966827     6.442568 
1 1 1 2   -13 18 o 144.912 2.9898  2817.11   116.037   2866.01   165.252   2769.55   162.975   146.153 4.2214  143.671 4.2351  2.481537       5.979607 
1 1 1 2   -13 19 o 234.991 4.5198  7433.01   284.484   7450.73   403.158   7415.42   401.490   235.269 6.3977  234.713 6.3863  0.5560303      9.039637 
1 1 1 2   -13 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -13 21 o 146.906 3.0457  2899.15   119.844   2903.10   169.654   2895.21   169.318   147.006 4.3086  146.806 4.3060  0.1995697      6.091447 
1 1 1 2   -13 22 o 191.113 3.7986  4917.38   194.444   4875.67   274.952   4959.12   275.019   190.298 5.3943  191.928 5.3498  -1.629990      7.597276 
1 1 1 2   -13 23 o 79.341  2.1163  844.690   44.965    863.867   63.544    825.459   63.635    80.244  2.9565  78.437  3.0289  1.807518       4.232595 
1 1 1 2   -13 24 o 131.051 2.8429  2308.12   99.789    2322.32   140.888   2293.83   141.359   131.458 4.0013  130.644 4.0397  0.8133545      5.685876 
1 1 1 2   -13 25 o 90.249  2.2981  1093.42   55.549    1092.72   78.162    1094.13   78.961    90.221  3.2344  90.277  3.2655  -0.5597687E-01 4.596177 
1 1 1 2   -13 26 o 80.212  2.2234  863.475   47.761    844.593   66.986    883.000   68.117    79.319  3.1530  81.104  3.1356  -1.784470      4.446714 
1 1 1 2   -13 27 o 137.247 2.9674  2533.88   109.080   2530.70   153.432   2537.12   155.108   137.163 4.1763  137.331 4.2167  -0.1679840     5.934827 
1 1 1 2   -13 28 o 105.138 2.5275  1487.44   71.090    1549.33   99.659    1423.31   101.437   107.379 3.4650  102.897 3.6805  4.481697       5.054953 
1 1 1 2   -13 29 o 13.543  3.1059  20.899    14.273    38.641    20.079    2.7785    20.292    16.643  4.4270  10.443  4.3575  6.200480       6.211754 
1 1 1 2   -13 30 o 125.813 2.8489  2134.14   95.962    2174.87   134.656   2092.11   136.791   127.047 3.9571  124.578 4.0995  2.468452       5.697713 
1 1 1 2   -13 31 o 57.249  2.1501  441.312   32.816    415.870   45.374    469.214   47.518    55.514  3.0634  58.983  3.0179  -3.469368      4.300232 
1 1 1 2   -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -13 33 o 28.689  2.4721  112.019   18.471    96.289    25.037    130.804   27.360    26.439  3.6314  30.940  3.3553  -4.500866      4.944223 
1 1 1 2   -13 34 o 33.659  2.3023  154.272   20.438    139.675   28.152    170.540   29.719    31.949  3.3391  35.370  3.1706  -3.420946      4.604568 
1 1 1 2   -13 35 o 82.884  2.3068  938.567   50.848    860.327   74.347    1007.33   69.697    79.537  3.4898  86.230  3.0176  -6.692986      4.613558 
1 1 1 2   -13 36 o 44.768  2.0480  276.875   23.974    247.805   36.293    299.379   31.933    42.560  3.2073  46.976  2.5474  -4.416004      4.095909 
1 1 1 2   -13 37 o 35.778  2.1070  173.742   19.773    185.949   30.789    165.173   25.796    36.796  3.1545  34.761  2.7942  2.035583       4.214054 
1 1 1 2   -13 38 o 23.820  2.4885  75.177    14.902    108.939   24.257    54.711    18.886    28.018  3.2952  19.621  3.7299  8.396776       4.976988 
1 1 1 2   -13 39 o 12.661  3.0138  21.224    11.902    21.484    19.050    21.057    15.244    12.902  4.4934  12.420  4.0175  0.4825983      6.027543 
1 1 1 2   -13 40 o 13.085  2.4658  22.181    12.425    -23.3008  20.627    48.081    15.566    7.7664  3.6843  18.403  3.2781  -10.63637      4.931514 
1 1 1 2   -13 41 o 22.127  2.8121  68.478    15.591    82.209    26.070    60.832    19.454    23.707  4.2622  20.547  3.6695  3.160290       5.624211 
1 1 1 2   -13 42 f 28.756  2.5856  115.204   18.860    133.645   31.583    104.984   23.512    30.333  3.9837  27.179  3.2972  3.154211       5.171195 
1 1 1 2   -13 43 o 13.711  3.1343  28.960    13.808    11.080    24.927    36.875    16.585    11.772  4.8638  15.651  3.9547  -3.878825      6.268640 
1 1 1 2   -13 44 o 21.529  3.1915  79.077    17.086    51.627    29.198    93.372    21.070    17.639  5.5443  25.420  3.1629  -7.781094      6.383090 
1 1 1 2   -13 45 o 64.833  2.4413  613.681   41.553    627.212   65.137    604.396   53.959    64.879  3.7645  64.788  3.1094  0.9159088E-01  4.882629 
1 1 1 2   -13 46 o 18.419  3.6241  55.575    17.802    66.828    30.643    49.843    21.872    19.419  5.5895  17.418  4.6144  2.001043       7.248163 
1 1 1 2   -13 47 o 7.3179  2.4168  -14.7619  12.412    -47.0736  22.742    -1.0536   14.813    6.6554  3.3058  7.9803  3.5263  -1.324902      4.833525 
1 1 1 2   -13 48 o 15.747  3.6940  43.984    17.316    46.522    32.307    42.961    20.511    15.646  5.7998  15.847  4.5765  -0.2007589     7.387938 
1 1 1 2   -13 49 o 27.261  3.4270  132.375   22.424    126.078   38.716    135.554   27.509    25.226  5.8446  29.296  3.5801  -4.070915      6.853911 
1 1 1 2   -12 0  o 410.738 7.6086  22676.96  836.961   22268.21  1183.71   23085.61  1183.57   407.023 10.858  414.453 10.662  -7.429993      15.21723 
1 1 1 2   -12 1  o 303.154 5.7409  12334.60  466.051   12033.61  659.319   12635.18  658.872   299.450 8.2202  306.859 8.0163  -7.409027      11.48185 
1 1 1 2   -12 2  o 385.317 7.1761  19945.11  740.613   19837.34  1047.69   20052.74  1047.08   384.273 10.179  386.361 10.118  -2.087799      14.35225 
1 1 1 2   -12 3  o 548.644 10.068  40557.68  1479.42   41084.94  2092.82   40031.02  2091.62   552.229 14.149  545.059 14.327  7.169922       20.13579 
1 1 1 2   -12 4  o 45.771  1.6757  281.117   20.480    264.879   28.830    297.658   29.097    44.402  2.4334  47.141  2.3044  -2.738468      3.351363 
1 1 1 2   -12 5  o 641.310 11.792  55543.23  2025.37   54531.97  2863.28   56555.92  2865.32   635.421 16.823  647.200 16.529  -11.77887      23.58459 
1 1 1 2   -12 6  o 612.461 11.287  50622.26  1851.61   50708.61  2618.42   50535.89  2618.72   612.987 15.948  611.934 15.977  1.053406       22.57422 
1 1 1 2   -12 7  o 153.478 3.0216  3156.41   124.207   3116.98   175.385   3196.08   175.929   152.516 4.2933  154.440 4.2529  -1.924026      6.043130 
1 1 1 2   -12 8  o 318.507 5.9455  13617.72  507.104   13951.87  717.202   13283.67  717.106   322.423 8.3047  314.591 8.5104  7.832397       11.89097 
1 1 1 2   -12 9  o 73.586  1.9058  725.280   37.561    714.494   52.872    736.271   53.370    73.033  2.7028  74.138  2.6876  -1.104744      3.811630 
1 1 1 2   -12 10 o 265.588 5.0170  9462.58   356.853   9637.26   504.737   9288.01   504.595   268.042 7.0303  263.133 7.1594  4.909363       10.03405 
1 1 1 2   -12 11 f 306.440 5.7114  12603.76  468.772   12737.53  663.100   12470.11  662.786   308.069 8.0360  304.812 8.1181  3.257751       11.42282 
1 1 1 2   -12 12 o 191.373 3.6995  4909.46   189.628   4967.78   268.581   4851.50   267.769   192.507 5.2088  190.239 5.2550  2.267868       7.399097 
1 1 1 2   -12 13 o 310.714 5.8031  12961.99  482.952   12911.10  683.598   13012.71  682.398   310.103 8.2301  311.325 8.1834  -1.222321      11.60616 
1 1 1 2   -12 14 o 211.154 4.0709  5979.20   230.238   5984.12   326.410   5974.33   324.807   211.240 5.7690  211.068 5.7453  0.1717377      8.141848 
1 1 1 2   -12 15 o 31.903  1.8365  137.152   15.530    138.889   22.701    135.625   21.291    32.088  2.6655  31.718  2.5272  0.3700943      3.673045 
1 1 1 2   -12 16 o 96.266  2.2358  1241.03   57.627    1289.21   82.538    1195.21   80.495    98.088  3.1416  94.444  3.1820  3.644333       4.471577 
1 1 1 2   -12 17 o 303.082 5.6968  12355.64  462.459   12462.25  655.050   12249.69  652.987   304.389 8.0344  301.775 8.0785  2.614227       11.39363 
1 1 1 2   -12 18 o 261.937 4.9805  9228.69   349.334   8990.57   494.507   9465.91   493.560   258.548 7.1407  265.325 6.9450  -6.777344      9.961070 
1 1 1 2   -12 19 o 79.504  2.0684  847.410   44.041    837.156   62.581    857.471   61.989    79.027  2.9565  79.982  2.8936  -0.9546967     4.136863 
1 1 1 2   -12 20 o 166.181 3.3663  3709.12   149.838   3706.02   211.965   3712.21   211.841   166.111 4.7641  166.250 4.7573  -0.1394501     6.732605 
1 1 1 2   -12 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -12 22 o 331.352 6.2694  14902.03  556.416   14977.08  786.601   14826.87  787.182   332.200 8.8403  330.504 8.8922  1.695770       12.53879 
1 1 1 2   -12 23 o 170.922 3.4619  3930.47   158.482   3969.96   223.706   3890.69   224.550   171.789 4.8618  170.054 4.9299  1.734482       6.923897 
1 1 1 2   -12 24 o 55.526  1.9393  413.475   28.840    407.724   40.456    419.418   41.125    55.134  2.7395  55.919  2.7458  -0.7848892     3.878696 
1 1 1 2   -12 25 f 54.113  1.9701  393.667   28.477    402.671   39.782    384.206   40.780    54.789  2.7109  53.437  2.8595  1.351780       3.940251 
1 1 1 2   -12 26 o 118.678 2.6908  1892.69   85.523    1896.96   120.079   1888.30   121.837   118.817 3.7731  118.539 3.8373  0.2781906      5.381558 
1 1 1 2   -12 27 o 62.726  2.1274  528.326   35.719    535.597   49.818    520.634   51.240    63.173  2.9442  62.278  3.0717  0.8945465      4.254856 
1 1 1 2   -12 28 o 109.010 2.5827  1596.93   75.396    1588.57   105.509   1605.65   107.780   108.722 3.6231  109.299 3.6816  -0.5765533     5.165364 
1 1 1 2   -12 29 o 85.621  2.3160  986.425   53.034    1022.42   73.922    948.247   76.129    87.242  3.1634  84.000  3.3836  3.242462       4.632085 
1 1 1 2   -12 30 o 150.287 3.1986  3047.48   128.739   3055.38   180.721   3039.33   183.438   150.495 4.4833  150.079 4.5633  0.4154510      6.397182 
1 1 1 2   -12 31 o 33.250  2.3189  150.848   20.281    159.827   27.986    140.918   29.433    34.336  3.0756  32.165  3.4714  2.170345       4.637879 
1 1 1 2   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -12 33 o 23.923  2.3454  77.344    14.473    88.344    22.541    69.627    18.879    25.355  3.4051  22.492  3.2262  2.863152       4.690750 
1 1 1 2   -12 34 o 99.787  2.5098  1356.75   66.702    1246.01   96.819    1456.80   92.024    95.814  3.7726  103.760 3.3112  -7.946190      5.019637 
1 1 1 2   -12 35 o 51.982  2.0024  362.623   27.626    407.527   41.719    327.553   36.868    54.822  2.8510  49.142  2.8127  5.679771       4.004878 
1 1 1 2   -12 36 o 43.243  2.1231  260.877   23.737    223.525   36.421    288.458   31.296    40.368  3.4001  46.118  2.5434  -5.749348      4.246112 
1 1 1 2   -12 37 o 89.355  2.3556  1088.41   56.235    1121.51   83.005    1060.33   76.455    90.560  3.4220  88.151  3.2381  2.409492       4.711180 
1 1 1 2   -12 38 o 42.042  2.1151  242.683   23.366    239.527   35.810    245.023   30.835    41.723  3.2295  42.361  2.7321  -0.6380768     4.230156 
1 1 1 2   -12 39 o 48.423  2.1128  319.437   26.960    338.633   41.845    305.815   35.250    49.587  3.1671  47.258  2.7973  2.328983       4.225547 
1 1 1 2   -12 40 o 15.858  3.1524  34.699    13.399    44.494    23.090    29.726    16.453    17.365  4.8028  14.352  4.0845  3.012925       6.304793 
1 1 1 2   -12 41 o 17.872  3.1961  48.261    14.888    43.461    25.445    50.759    18.358    17.048  5.1432  18.695  3.7956  -1.646978      6.392137 
1 1 1 2   -12 42 o 33.232  2.4104  154.816   20.470    164.502   33.767    149.189   25.738    33.832  3.7914  32.632  2.9775  1.200474       4.820841 
1 1 1 2   -12 43 o 29.175  2.7598  126.503   19.853    118.309   33.048    131.129   24.833    27.959  4.5711  30.392  3.0937  -2.432810      5.519607 
1 1 1 2   -12 44 o 14.373  2.9981  21.677    13.410    60.723    23.766    3.4386    16.243    19.659  4.5959  9.0870  3.8513  10.57157       5.996203 
1 1 1 2   -12 45 o 33.794  2.4925  160.341   21.565    205.995   36.302    135.443   26.808    37.200  3.6921  30.388  3.3493  6.812452       4.984903 
1 1 1 2   -12 46 o 14.555  2.9669  36.432    15.500    -8.8687   28.111    56.220    18.580    9.9861  4.5896  19.125  3.7611  -9.138637      5.933808 
1 1 1 2   -12 47 o 15.983  3.1867  29.415    15.428    82.647    28.180    6.6297    18.437    22.228  4.8679  9.7382  4.1138  12.48994       6.373391 
1 1 1 2   -12 48 o 15.632  3.6282  33.969    16.824    74.289    31.997    18.564    19.778    19.786  5.7165  11.478  4.4695  8.307473       7.256355 
1 1 1 2   -12 49 o 17.309  3.6808  57.060    17.863    57.981    32.525    56.663    21.374    16.575  5.8638  18.042  4.4506  -1.467396      7.361535 
1 1 1 2   -11 0  o 406.991 7.4897  22257.52  816.306   22785.31  1155.25   21731.23  1153.61   411.825 10.473  402.157 10.710  9.667542       14.97939 
1 1 1 2   -11 1  o 46.692  1.7228  293.290   21.415    265.325   30.363    320.967   30.207    44.432  2.5622  48.952  2.3038  -4.519608      3.445626 
1 1 1 2   -11 2  o 459.229 8.4911  28364.09  1044.36   28799.93  1477.60   27929.03  1476.29   462.768 11.921  455.689 12.095  7.078583       16.98230 
1 1 1 2   -11 3  o 194.141 3.7712  5052.50   196.064   5172.17   277.454   4933.13   277.098   196.439 5.2732  191.842 5.3926  4.596588       7.542342 
1 1 1 2   -11 4  o 148.600 2.9931  2961.18   118.967   2775.81   167.946   3147.86   168.544   143.927 4.3565  153.274 4.1054  -9.347305      5.986114 
1 1 1 2   -11 5  o 800.816 14.714  87013.86  3155.91   85636.21  4461.87   88393.08  4464.39   794.393 20.970  807.240 20.648  -12.84674      29.42881 
1 1 1 2   -11 6  f 279.274 5.2129  10462.51  389.936   10418.97  551.193   10506.14  551.712   278.691 7.3840  279.856 7.3602  -1.164917      10.42571 
1 1 1 2   -11 7  o 372.127 6.8419  18598.79  681.946   18732.93  964.288   18464.58  964.546   373.473 9.6396  370.781 9.7122  2.692596       13.68386 
1 1 1 2   -11 8  o 361.110 6.6717  17511.21  645.305   17545.92  912.462   17476.47  912.735   361.469 9.4244  360.750 9.4460  0.7183533      13.34343 
1 1 1 2   -11 9  o 392.214 7.2223  20667.69  758.710   20823.31  1073.02   20512.09  1072.93   393.695 10.176  390.733 10.252  2.962433       14.44450 
1 1 1 2   -11 10 o 338.505 6.2836  15383.14  569.715   15484.99  805.823   15281.35  805.573   339.628 8.8582  337.383 8.9144  2.245667       12.56722 
1 1 1 2   -11 11 o 81.685  1.9525  893.734   42.715    900.143   60.812    887.493   60.013    81.974  2.7697  81.396  2.7527  0.5779495      3.904913 
1 1 1 2   -11 12 o 386.151 7.1630  20035.37  740.867   19980.84  1048.34   20089.78  1047.15   385.624 10.150  386.678 10.110  -1.054657      14.32605 
1 1 1 2   -11 13 o 281.987 5.2772  10668.93  398.581   10744.43  564.565   10593.91  562.798   282.983 7.4484  280.992 7.4777  1.991241       10.55441 
1 1 1 2   -11 14 o 197.483 3.8479  5228.92   203.518   5181.40   288.768   5275.81   286.875   196.590 5.4840  198.376 5.3990  -1.786118      7.695704 
1 1 1 2   -11 15 o 163.153 3.2786  3568.80   143.240   3502.80   203.474   3633.64   201.682   161.655 4.6993  164.651 4.5731  -2.995361      6.557178 
1 1 1 2   -11 16 o 431.989 8.0105  25136.00  926.858   24981.17  1311.43   25290.53  1310.12   430.651 11.369  433.327 11.288  -2.676117      16.02099 
1 1 1 2   -11 17 o 194.255 3.8034  5061.60   197.891   5037.20   280.223   5085.87   279.499   193.787 5.3987  194.723 5.3589  -0.9361267     7.606811 
1 1 1 2   -11 18 o 228.877 4.3970  7034.26   269.542   7128.03   381.422   6940.72   380.957   230.404 6.1805  227.350 6.2559  3.054703       8.794076 
1 1 1 2   -11 19 o 87.691  2.1791  1030.94   51.165    999.591   72.374    1062.25   72.343    86.357  3.1289  89.025  3.0339  -2.667816      4.358268 
1 1 1 2   -11 20 o 90.859  2.2406  1106.91   54.524    1119.32   76.965    1094.40   77.253    91.372  3.1448  90.347  3.1924  1.024330       4.481188 
1 1 1 2   -11 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -11 22 o 257.333 5.9917  8878.55   390.951   9253.62   677.578   8691.38   478.663   260.916 9.6955  253.751 7.0426  7.165665       11.98335 
1 1 1 2   -11 23 o 63.776  1.9721  545.432   33.684    542.284   47.248    548.685   48.034    63.589  2.7740  63.963  2.8037  -0.3732452     3.944138 
1 1 1 2   -11 24 o 113.817 2.5952  1739.65   79.106    1749.20   111.150   1729.84   112.610   114.136 3.6358  113.497 3.7043  0.6390457      5.190437 
1 1 1 2   -11 25 o 58.185  1.9749  454.027   30.765    449.929   42.816    458.402   44.236    57.915  2.7601  58.455  2.8253  -0.5405083     3.949773 
1 1 1 2   -11 26 o 93.052  2.3506  1162.72   58.568    1171.49   82.034    1153.60   83.645    93.413  3.2787  92.691  3.3691  0.7221298      4.701109 
1 1 1 2   -11 27 o 182.829 3.7037  4505.63   181.366   4473.77   255.200   4538.13   257.799   182.178 5.2299  183.480 5.2457  -1.302063      7.407400 
1 1 1 2   -11 28 o 94.470  2.4071  1198.42   60.893    1184.36   84.962    1213.27   87.316    93.903  3.3780  95.038  3.4301  -1.134743      4.814208 
1 1 1 2   -11 29 o 76.409  2.2467  785.882   45.881    826.777   64.019    742.697   65.787    78.466  3.0461  74.352  3.3034  4.114326       4.493433 
1 1 1 2   -11 30 o 100.078 2.4937  1346.58   66.833    1320.85   93.391    1373.59   95.682    99.100  3.5184  101.057 3.5349  -1.957016      4.987456 
1 1 1 2   -11 31 o 67.069  2.0561  602.418   36.856    638.119   54.373    572.073   50.129    68.897  2.9464  65.241  2.8687  3.656441       4.112259 
1 1 1 2   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -11 33 o 85.388  2.2625  982.739   51.646    995.556   75.619    971.534   70.706    85.893  3.2869  84.884  3.1099  1.008987       4.524933 
1 1 1 2   -11 34 o 56.398  2.0201  428.294   30.276    442.425   45.661    417.207   40.446    57.168  2.9924  55.628  2.7145  1.539444       4.040187 
1 1 1 2   -11 35 o 60.615  2.0590  497.571   33.163    497.476   49.692    497.648   44.531    60.538  3.0747  60.692  2.7393  -0.1541786     4.117960 
1 1 1 2   -11 36 o 27.581  2.2114  102.872   15.824    114.696   25.005    94.974    20.436    28.858  3.2940  26.304  2.9515  2.553864       4.422844 
1 1 1 2   -11 37 o 35.462  2.0735  166.625   19.196    210.433   30.410    137.604   24.751    39.244  2.9138  31.681  2.9507  7.562254       4.146943 
1 1 1 2   -11 38 o 37.295  2.0946  185.460   20.454    227.143   32.294    157.538   26.431    40.712  2.9823  33.878  2.9419  6.833275       4.189140 
1 1 1 2   -11 39 f 50.006  2.1676  345.168   28.426    334.309   43.882    353.019   37.314    49.200  3.3498  50.812  2.7519  -1.611774      4.335281 
1 1 1 2   -11 40 o 59.114  2.1682  478.005   33.922    510.386   52.074    454.136   44.710    60.762  3.2111  57.466  2.9142  3.295494       4.336330 
1 1 1 2   -11 41 o 7.5108  2.3202  -7.6502   10.249    -42.6009  19.010    6.6712    12.169    6.1804  3.0616  8.8413  3.4870  -2.660855      4.640334 
1 1 1 2   -11 42 o 14.398  2.8864  17.523    13.043    62.717    23.774    -1.9404   15.601    20.444  4.4665  8.3528  3.6572  12.09097       5.772749 
1 1 1 2   -11 43 o 17.344  3.2126  40.639    14.651    67.675    26.065    28.151    17.715    20.921  4.7587  13.767  4.3172  7.154628       6.425237 
1 1 1 2   -11 44 f 12.112  3.1745  19.737    13.686    11.974    23.433    23.757    16.860    11.523  4.7334  12.700  4.2315  -1.177114      6.349067 
1 1 1 2   -11 45 o 12.249  3.1806  12.344    13.848    41.785    24.873    -0.8814   16.671    15.943  5.1292  8.5554  3.7623  7.387396       6.361151 
1 1 1 2   -11 46 o 38.185  2.7145  225.855   25.534    201.002   42.486    239.906   31.947    35.598  4.5608  40.772  2.9452  -5.174114      5.429098 
1 1 1 2   -11 47 o 10.625  3.1410  10.433    14.238    8.0611    25.625    11.492    17.125    11.019  4.7568  10.232  4.1033  0.7873955      6.282089 
1 1 1 2   -11 48 f 10.690  3.2520  9.6024    15.282    8.9167    30.202    9.8383    17.717    11.443  5.0467  9.9383  4.1029  1.504384       6.504069 
1 1 1 2   -11 49 o 7.5694  2.5999  -18.5965  13.622    -21.0093  28.157    -17.8593  15.564    8.7418  4.1903  6.3970  3.0789  2.344834       5.199833 
1 1 1 2   -10 0  o 159.477 3.2335  3408.92   138.086   3324.68   195.509   3492.76   195.059   157.510 4.6342  161.445 4.5108  -3.935287      6.467047 
1 1 1 2   -10 1  f 431.051 7.9575  24978.84  918.737   24938.59  1299.63   25019.04  1298.95   430.702 11.266  431.400 11.241  -0.6977539     15.91493 
1 1 1 2   -10 2  o 229.738 4.3686  7076.97   268.798   7196.00   380.486   6958.38   379.791   231.668 6.1317  227.807 6.2243  3.861191       8.737255 
1 1 1 2   -10 3  o 467.104 8.5954  29354.58  1075.40   29424.46  1520.90   29284.72  1520.78   467.662 12.142  466.546 12.170  1.116821       17.19083 
1 1 1 2   -10 4  o 654.286 11.988  57848.18  2100.91   57771.13  2970.93   57925.27  2971.35   653.846 16.964  654.725 16.944  -0.8787231     23.97626 
1 1 1 2   -10 5  o 248.084 4.6919  8254.24   311.747   8127.34   440.578   8381.49   441.176   246.172 6.6818  249.997 6.5885  -3.824326      9.383786 
1 1 1 2   -10 6  o 172.606 3.3501  3993.26   154.860   4067.90   218.873   3918.44   219.138   174.223 4.6903  170.990 4.7847  3.233017       6.700182 
1 1 1 2   -10 7  o 556.439 10.207  41740.47  1521.26   42115.40  2151.49   41365.61  2151.29   558.954 14.371  553.924 14.500  5.030396       20.41458 
1 1 1 2   -10 8  f 688.188 12.651  64069.77  2331.76   64975.09  3298.24   63165.14  3296.99   693.096 17.766  683.280 18.015  9.816467       25.30175 
1 1 1 2   -10 9  o 204.870 3.8988  5626.64   213.928   5550.11   302.534   5703.18   302.544   203.475 5.5510  206.264 5.4762  -2.789429      7.797582 
1 1 1 2   -10 10 o 397.269 7.3492  21211.62  781.761   21849.81  1106.38   20575.27  1104.78   403.257 10.243  391.281 10.541  11.97589       14.69837 
1 1 1 2   -10 11 o 298.211 5.5323  11932.77  441.857   12125.10  625.677   11741.42  624.086   300.612 7.7706  295.810 7.8767  4.802063       11.06455 
1 1 1 2   -10 12 o 359.253 6.6652  17332.50  641.328   17553.89  907.970   17112.07  905.982   361.548 9.3760  356.958 9.4757  4.589355       13.33036 
1 1 1 2   -10 13 o 366.907 6.8428  18085.14  672.346   17685.89  951.502   18483.27  950.180   362.849 9.7903  370.965 9.5628  -8.115173      13.68561 
1 1 1 2   -10 14 o 285.828 5.3707  10963.34  411.122   10779.68  582.132   11146.10  580.699   283.435 7.6680  288.222 7.5220  -4.787384      10.74143 
1 1 1 2   -10 15 o 380.430 7.0471  19450.47  718.079   19523.13  1016.10   19377.98  1014.93   381.142 9.9532  379.719 9.9790  1.423004       14.09418 
1 1 1 2   -10 16 o 503.061 9.2927  34124.59  1252.00   33551.79  1770.36   34697.71  1770.84   498.809 13.251  507.312 13.032  -8.503510      18.58540 
1 1 1 2   -10 17 o 67.234  1.9364  605.787   34.856    625.761   49.256    585.753   49.331    68.344  2.6907  66.123  2.7854  2.221672       3.872758 
1 1 1 2   -10 18 o 572.686 10.598  44487.45  1625.70   44365.60  2298.74   44609.36  2299.44   571.893 15.007  573.480 14.970  -1.586853      21.19659 
1 1 1 2   -10 19 o 88.813  2.2070  1057.40   52.487    1081.27   74.021    1033.25   74.436    89.823  3.0767  87.803  3.1651  2.019157       4.414013 
1 1 1 2   -10 20 o 213.021 4.1613  6097.68   237.428   6131.96   335.230   6063.18   336.321   213.625 5.8587  212.417 5.9112  1.207840       8.322674 
1 1 1 2   -10 21 o 134.678 2.8726  2433.89   103.619   2407.31   145.862   2460.96   147.226   133.936 4.0659  135.421 4.0589  -1.484695      5.745117 
1 1 1 2   -10 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -10 23 o 146.704 3.0789  2891.50   120.978   2868.94   170.306   2914.48   171.883   146.126 4.3512  147.281 4.3571  -1.154633      6.157729 
1 1 1 2   -10 24 o 138.208 2.9563  2566.31   109.417   2496.87   153.836   2637.41   155.657   136.312 4.2134  140.103 4.1479  -3.790939      5.912550 
1 1 1 2   -10 25 o 172.020 3.5362  3988.33   162.688   4222.04   229.434   3751.99   230.724   177.123 4.8361  166.917 5.1607  10.20677       7.072468 
1 1 1 2   -10 26 o 66.493  2.0868  593.144   37.159    586.861   51.938    599.732   53.185    66.134  2.9321  66.853  2.9701  -0.7196579     4.173593 
1 1 1 2   -10 27 o 139.037 3.0384  2604.21   112.946   2765.42   158.971   2439.88   160.500   143.411 4.1385  134.663 4.4498  8.747147       6.076827 
1 1 1 2   -10 28 o 141.139 3.0516  2680.21   115.351   2681.25   162.092   2679.14   164.190   141.171 4.2868  141.107 4.3442  0.6430054E-01  6.103139 
1 1 1 2   -10 29 o 81.141  2.1726  882.947   47.155    904.836   68.806    863.562   64.753    82.084  3.1295  80.198  3.0145  1.886063       4.345212 
1 1 1 2   -10 30 o 47.972  1.9802  309.940   25.190    311.063   37.692    309.033   33.863    48.035  2.9437  47.908  2.6493  0.1273956      3.960313 
1 1 1 2   -10 31 o 60.867  2.0588  501.257   33.254    472.102   49.192    525.792   45.127    59.172  3.1148  62.563  2.6930  -3.391525      4.117527 
1 1 1 2   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -10 33 o 75.928  2.2243  781.368   44.934    734.584   66.254    821.215   61.146    73.778  3.3527  78.079  2.9238  -4.300552      4.448514 
1 1 1 2   -10 34 o 33.905  2.0807  153.385   18.526    179.050   28.699    135.051   24.257    36.303  2.9776  31.507  2.9071  4.796053       4.161467 
1 1 1 2   -10 35 o 50.046  2.0846  342.889   27.402    320.197   41.672    360.175   36.371    48.504  3.2260  51.587  2.6411  -3.082821      4.169208 
1 1 1 2   -10 36 o 10.661  2.7979  11.642    10.205    15.054    17.469    9.8749    12.574    11.625  4.2728  9.6960  3.6135  1.929440       5.595865 
1 1 1 2   -10 37 o 50.908  2.0645  351.948   27.768    363.210   42.541    343.587   36.654    51.562  3.0946  50.254  2.7334  1.307602       4.128901 
1 1 1 2   -10 38 o 50.818  2.0996  349.474   28.134    377.009   43.775    330.096   36.723    52.453  3.1300  49.183  2.7992  3.270004       4.199123 
1 1 1 2   -10 39 o 62.861  2.1945  541.993   36.507    542.041   55.626    541.956   48.385    62.721  3.3230  63.002  2.8673  -0.2812080     4.389038 
1 1 1 2   -10 40 o 24.513  2.8372  87.596    17.171    79.961    28.223    92.084    21.637    23.363  4.6734  25.663  3.2185  -2.300222      5.674464 
1 1 1 2   -10 41 o 14.384  3.1286  30.813    13.588    18.552    22.764    37.601    16.937    12.749  4.8381  16.018  3.9681  -3.268603      6.257265 
1 1 1 2   -10 42 o 31.401  2.6639  144.004   20.705    133.151   34.471    150.130   25.898    30.062  4.4125  32.740  2.9861  -2.678276      5.327878 
1 1 1 2   -10 43 o 16.856  2.9786  49.199    14.882    12.805    26.104    66.724    18.115    12.178  4.9984  21.533  3.2412  -9.355722      5.957253 
1 1 1 2   -10 44 o 14.835  3.2167  35.949    14.453    19.344    26.373    43.076    17.278    12.836  5.1109  16.833  3.9074  -3.997119      6.433457 
1 1 1 2   -10 45 o 21.972  3.3059  75.348    17.954    82.787    31.340    71.715    21.905    22.250  5.3289  21.693  3.9140  0.5573597      6.611868 
1 1 1 2   -10 46 o 15.355  3.4226  33.642    15.503    58.929    26.908    21.078    18.968    18.596  5.1995  12.113  4.4523  6.483409       6.845272 
1 1 1 2   -10 47 o 14.028  5.5605  30.376    31.087    30.376    31.087    0.0000    0.0000    14.028  5.5605  ?       ?       ?              ?        
1 1 1 2   -10 48 o 16.223  3.6504  49.228    18.029    36.820    33.997    54.083    21.266    14.488  5.7916  17.959  4.4450  -3.470878      7.300748 
1 1 1 2   -10 49 o 13.273  3.6467  25.176    16.463    52.801    33.271    16.218    18.945    15.769  5.8777  10.777  4.3181  4.992224       7.293342 
1 1 1 2   -9  0  o 239.255 4.5837  7676.31   293.745   7680.36   415.722   7672.27   415.114   239.318 6.4854  239.193 6.4793  0.1257477      9.167474 
1 1 1 2   -9  1  o 185.033 4.4472  4591.60   208.031   4588.97   359.419   4592.93   255.106   184.955 7.2551  185.111 5.1452  -0.1563721     8.894361 
1 1 1 2   -9  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  8  o 561.381 10.233  42498.96  1538.53   43350.84  2176.61   41648.32  2175.01   567.041 14.331  555.721 14.612  11.31976       20.46694 
1 1 1 2   -9  9  o 332.276 6.1470  14822.64  547.078   14896.84  774.012   14748.55  773.359   333.109 8.6750  331.444 8.7113  1.665558       12.29402 
1 1 1 2   -9  10 o 356.624 6.5960  17083.49  629.816   17651.34  891.790   16518.43  889.603   362.552 9.1834  350.694 9.4706  11.85788       13.19193 
1 1 1 2   -9  11 o 263.047 4.9528  9281.07   348.957   9307.90   494.401   9254.44   492.603   263.426 7.0070  262.668 7.0016  0.7572021      9.905606 
1 1 1 2   -9  12 o 121.591 2.5811  1980.73   84.055    1986.79   119.660   1974.84   118.098   121.774 3.6686  121.408 3.6317  0.3663177      5.162182 
1 1 1 2   -9  13 o 324.596 6.0474  14143.18  525.763   14028.08  744.170   14257.89  742.913   323.274 8.5943  325.919 8.5102  -2.644470      12.09488 
1 1 1 2   -9  14 o 59.480  1.8332  473.865   29.197    490.457   41.530    457.650   41.056    60.510  2.5624  58.451  2.6224  2.059113       3.666425 
1 1 1 2   -9  15 f 123.546 2.6642  2045.13   88.163    2039.79   124.610   2050.48   124.753   123.384 3.7705  123.707 3.7650  -0.3229752     5.328436 
1 1 1 2   -9  16 o 319.046 5.9727  13667.47  510.382   13531.40  721.434   13803.81  722.145   317.452 8.4846  320.639 8.4085  -3.186951      11.94532 
1 1 1 2   -9  17 o 190.843 3.7629  4883.32   192.339   4827.41   271.567   4939.60   272.451   189.746 5.3434  191.940 5.2995  -2.194046      7.525701 
1 1 1 2   -9  18 o 357.617 6.6668  17203.86  638.547   16942.57  902.246   17466.07  903.841   354.885 9.4918  360.348 9.3644  -5.462524      13.33365 
1 1 1 2   -9  19 o 268.532 5.1040  9690.30   367.057   9485.11   518.277   9896.79   519.920   265.672 7.2833  271.392 7.1524  -5.720886      10.20797 
1 1 1 2   -9  20 o 287.725 5.4422  11143.38  419.403   11027.30  592.338   11260.08  593.915   286.216 7.7266  289.233 7.6663  -3.016571      10.88450 
1 1 1 2   -9  21 o 240.768 4.6457  7801.21   299.562   7652.79   422.841   7950.77   424.453   238.460 6.6202  243.076 6.5193  -4.616104      9.291309 
1 1 1 2   -9  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  23 o 195.790 3.8822  5159.40   203.585   5183.82   287.228   5134.76   288.602   196.260 5.4639  195.320 5.5165  0.9401245      7.764443 
1 1 1 2   -9  24 o 313.959 5.9826  13375.88  503.094   13433.05  710.735   13318.47  712.231   314.644 8.4333  313.273 8.4881  1.371338       11.96529 
1 1 1 2   -9  25 o 240.922 4.6932  7843.18   302.851   7865.88   427.479   7820.31   429.119   241.279 6.6146  240.565 6.6597  0.7143097      9.386445 
1 1 1 2   -9  26 o 202.027 4.0178  5505.91   217.363   5617.87   306.609   5392.79   308.192   204.111 5.6083  199.944 5.7547  4.166794       8.035520 
1 1 1 2   -9  27 o 190.330 3.7721  4882.27   192.242   5056.76   273.938   4712.95   269.850   193.693 5.2802  186.968 5.3885  6.725296       7.544292 
1 1 1 2   -9  28 o 121.813 2.7090  1993.81   88.350    2012.74   127.018   1976.06   122.972   122.368 3.8753  121.257 3.7863  1.110237       5.417931 
1 1 1 2   -9  29 o 22.023  2.5218  64.507    14.114    85.679    22.277    50.309    18.243    25.025  3.4126  19.021  3.7139  6.003241       5.043686 
1 1 1 2   -9  30 o 72.830  2.0958  708.143   40.732    798.882   60.057    630.854   55.428    77.129  2.9071  68.532  3.0196  8.596901       4.191557 
1 1 1 2   -9  31 o 83.482  2.2126  932.727   49.338    1034.13   72.408    844.844   67.410    87.703  3.0824  79.262  3.1752  8.441139       4.425264 
1 1 1 2   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  33 o 59.274  2.0264  468.802   31.949    531.203   48.094    419.514   42.743    62.807  2.8589  55.741  2.8726  7.066132       4.052807 
1 1 1 2   -9  34 o 73.811  2.1524  732.814   42.429    770.470   62.971    701.504   57.421    75.528  3.1128  72.095  2.9736  3.432877       4.304810 
1 1 1 2   -9  35 o 91.184  2.3558  1122.80   57.406    1203.60   84.699    1054.15   78.075    94.197  3.3570  88.172  3.3059  6.025040       4.711559 
1 1 1 2   -9  36 o 11.849  2.7604  18.669    10.395    10.476    16.994    23.569    13.141    10.737  4.1534  12.961  3.6370  -2.224182      5.520749 
1 1 1 2   -9  37 o 27.469  2.5186  112.071   16.671    77.325    25.995    136.344   21.727    23.315  4.3217  31.623  2.5878  -8.307690      5.037243 
1 1 1 2   -9  38 o 35.461  2.1758  169.674   20.111    189.529   32.148    156.906   25.779    37.088  3.2696  33.834  2.8718  3.254398       4.351693 
1 1 1 2   -9  39 o 16.197  3.0655  38.761    13.350    32.622    22.477    42.106    16.594    15.252  4.8727  17.142  3.7209  -1.890021      6.130930 
1 1 1 2   -9  40 o 37.055  3.6775  192.633   36.017    192.633   36.017    0.0000    0.0000    37.055  3.6775  ?       ?       ?              ?        
1 1 1 2   -9  41 o 34.254  2.4808  169.199   21.393    149.996   34.456    181.245   27.290    32.331  4.0690  36.177  2.8391  -3.846195      4.961624 
1 1 1 2   -9  42 o 29.725  2.5822  122.402   19.530    144.453   32.667    110.135   24.364    31.602  3.9452  27.847  3.3327  3.755091       5.164449 
1 1 1 2   -9  43 o 27.425  3.0280  118.999   19.789    89.423    32.500    136.424   24.946    23.813  5.2378  31.037  3.0398  -7.223820      6.056016 
1 1 1 2   -9  44 o 17.297  3.3532  41.592    15.407    69.211    27.722    29.250    18.532    20.737  5.0402  13.857  4.4242  6.880662       6.706488 
1 1 1 2   -9  45 o 12.364  3.3361  17.985    14.025    29.935    26.759    13.459    16.468    14.114  5.2692  10.613  4.0933  3.501317       6.672291 
1 1 1 2   -9  46 o 15.089  3.5318  35.641    15.509    42.448    29.053    32.929    18.340    15.811  5.5467  14.368  4.3736  1.442177       7.063617 
1 1 1 2   -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -9  48 o 8.3025  2.7785  -12.2004  13.381    -5.7233   27.891    -14.1371  15.251    9.9203  4.5639  6.6847  3.1703  3.235578       5.556941 
1 1 1 2   -9  49 o 19.922  3.8232  71.342    19.196    94.853    37.089    62.740    22.435    20.937  6.1851  18.907  4.4959  2.030661       7.646481 
1 1 1 2   -8  0  o 220.360 6.0055  6518.17   354.427   6651.23   503.072   6387.04   499.417   222.596 8.4377  218.124 8.5481  4.472183       12.01102 
1 1 1 2   -8  1  o 138.285 2.8570  2562.43   105.812   2611.90   149.927   2513.33   149.355   139.615 4.0092  136.954 4.0715  2.660980       5.714090 
1 1 1 2   -8  2  o 248.950 4.7436  8312.97   316.298   8230.04   447.345   8395.87   447.281   247.707 6.7424  250.194 6.6744  -2.486832      9.487267 
1 1 1 2   -8  3  o 226.110 4.2783  6855.76   259.090   6759.35   366.193   6952.39   366.625   224.516 6.0894  227.704 6.0112  -3.187119      8.556588 
1 1 1 2   -8  4  o 279.770 5.2320  10502.42  392.047   10369.10  554.167   10636.00  554.708   277.989 7.4426  281.551 7.3556  -3.561279      10.46408 
1 1 1 2   -8  5  o 291.267 5.4369  11384.96  424.150   11469.58  599.731   11300.29  599.946   292.353 7.6588  290.182 7.7188  2.170197       10.87372 
1 1 1 2   -8  6  o 453.398 8.3591  27662.09  1015.14   27549.30  1435.43   27774.94  1435.81   452.470 11.844  454.327 11.799  -1.857361      16.71816 
1 1 1 2   -8  7  o 103.334 2.2148  1430.54   61.300    1421.14   86.730    1439.92   86.653    102.995 3.1439  103.674 3.1205  -0.6787491     4.429603 
1 1 1 2   -8  8  o 296.204 7.7937  11798.24  618.234   12087.90  876.930   11512.01  871.724   299.830 10.919  292.579 11.124  7.251404       15.58749 
1 1 1 2   -8  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -8  10 o 123.801 3.3053  2094.69   101.909   1941.58   177.662   2169.77   124.411   120.346 5.5116  127.257 3.6500  -6.911270      6.610570 
1 1 1 2   -8  11 o 615.745 11.356  51211.19  1872.36   49870.50  2647.70   52552.32  2648.15   607.616 16.269  623.875 15.847  -16.25977      22.71135 
1 1 1 2   -8  12 o 447.500 8.2461  26940.97  988.038   27796.75  1398.41   26087.90  1396.19   454.627 11.484  440.373 11.837  14.25378       16.49211 
1 1 1 2   -8  13 o 113.460 2.4884  1724.81   75.615    1695.86   106.921   1753.78   106.950   112.507 3.5481  114.413 3.4899  -1.905693      4.976790 
1 1 1 2   -8  14 f 80.980  2.0547  878.475   44.554    851.238   62.775    906.122   63.246    79.715  2.9401  82.245  2.8710  -2.530220      4.109345 
1 1 1 2   -8  15 o 224.272 4.3132  6744.17   259.098   6748.01   366.019   6740.30   366.822   224.337 6.0914  224.208 6.1082  0.1289063      8.626419 
1 1 1 2   -8  16 f 560.657 10.353  42405.85  1554.67   42022.61  2197.80   42789.67  2199.47   558.104 14.702  563.209 14.580  -5.104797      20.70589 
1 1 1 2   -8  17 o 94.683  2.2751  1200.87   57.690    1174.04   81.029    1228.46   82.155    93.611  3.2316  95.756  3.2032  -2.145050      4.550141 
1 1 1 2   -8  18 o 172.086 3.4589  3970.21   159.416   3899.06   224.817   4042.17   226.084   170.535 4.9218  173.638 4.8611  -3.103577      6.917720 
1 1 1 2   -8  19 o 156.998 3.2306  3306.10   135.803   3396.75   191.618   3214.62   192.493   159.164 4.4947  154.832 4.6416  4.331940       6.461151 
1 1 1 2   -8  20 o 277.916 5.2761  10390.16  392.659   10113.40  554.517   10668.50  556.095   274.189 7.5505  281.643 7.3716  -7.453735      10.55228 
1 1 1 2   -8  21 f 216.472 4.2257  6299.06   245.002   6219.44   345.847   6379.28   347.127   215.095 6.0030  217.848 5.9490  -2.753616      8.451405 
1 1 1 2   -8  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -8  23 o 218.733 4.2731  6445.11   250.337   6503.43   353.411   6386.38   354.652   219.734 6.0047  217.732 6.0812  2.002380       8.546223 
1 1 1 2   -8  24 f 82.510  2.5892  889.466   54.558    837.367   66.790    993.944   94.583    79.002  3.1563  86.018  4.1052  -7.016373      5.178319 
1 1 1 2   -8  25 o 58.446  1.9425  460.425   30.221    436.013   44.089    482.060   41.505    56.937  2.9006  59.956  2.5845  -3.018826      3.884981 
1 1 1 2   -8  26 o 124.451 2.7096  2078.94   90.236    2211.08   129.570   1954.48   125.742   128.294 3.7706  120.608 3.8924  7.686043       5.419206 
1 1 1 2   -8  27 o 53.307  2.0236  386.721   28.440    337.461   41.789    429.217   38.815    50.044  3.1334  56.570  2.5617  -6.525715      4.047281 
1 1 1 2   -8  28 o 133.119 2.9216  2383.76   104.111   2359.31   149.355   2406.88   145.204   132.444 4.2102  133.794 4.0518  -1.349655      5.843180 
1 1 1 2   -8  29 o 11.643  2.8107  13.464    10.755    27.205    17.529    5.1679    13.619    14.166  4.2677  9.1200  3.6587  5.046396       5.621305 
1 1 1 2   -8  30 o 144.934 3.1138  2832.82   120.769   2769.68   173.272   2892.48   168.419   143.339 4.5131  146.528 4.2912  -3.188919      6.227559 
1 1 1 2   -8  31 o 53.360  2.0176  382.529   28.561    393.809   43.054    373.664   38.169    54.047  2.9856  52.673  2.7147  1.373875       4.035286 
1 1 1 2   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -8  33 f 44.037  2.0013  258.075   23.293    301.450   35.618    225.662   30.789    47.233  2.8284  40.842  2.8320  6.391102       4.002527 
1 1 1 2   -8  34 o 58.575  2.0609  462.611   32.056    471.702   48.399    455.507   42.786    59.024  3.0720  58.126  2.7481  0.8976021      4.121854 
1 1 1 2   -8  35 o 65.003  2.1122  568.281   36.591    604.517   55.140    539.768   48.913    66.822  3.0808  63.183  2.8903  3.639118       4.224313 
1 1 1 2   -8  36 o 33.883  2.1430  156.189   18.883    161.044   29.878    152.961   24.365    34.259  3.2968  33.507  2.7388  0.7521858      4.286035 
1 1 1 2   -8  37 f 16.532  2.8714  40.434    12.540    31.428    20.370    45.929    15.912    15.009  4.6169  18.055  3.4154  -3.046785      5.742878 
1 1 1 2   -8  38 o 23.518  2.8369  86.742    15.848    52.512    25.646    107.888   20.157    18.987  4.9808  28.050  2.7170  -9.062859      5.673704 
1 1 1 2   -8  39 o 26.512  2.7077  104.856   17.346    79.244    27.914    120.968   22.140    23.377  4.6218  29.647  2.8222  -6.270073      5.415330 
1 1 1 2   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -8  41 o 26.039  2.6616  92.969    17.487    114.018   29.405    81.452    21.751    28.149  4.0136  23.928  3.4969  4.220987       5.323277 
1 1 1 2   -8  42 f 62.996  2.4172  568.238   39.587    512.776   61.403    607.687   51.786    59.860  3.8501  66.131  2.9236  -6.271656      4.834303 
1 1 1 2   -8  43 o 11.460  3.1438  14.922    13.398    10.421    23.548    17.077    16.292    11.481  4.7339  11.440  4.1381  0.4139423E-01  6.287577 
1 1 1 2   -8  44 o 13.202  3.3293  21.995    14.117    36.956    25.217    15.166    17.038    15.329  5.1751  11.075  4.1898  4.254013       6.658509 
1 1 1 2   -8  45 f 15.311  3.4653  37.260    15.312    37.607    28.200    37.115    18.235    15.274  5.4539  15.349  4.2763  -0.7518005E-01 6.930522 
1 1 1 2   -8  46 o 18.660  3.3189  64.437    17.182    32.513    31.872    77.516    20.401    14.538  5.6701  22.783  3.4511  -8.245132      6.637833 
1 1 1 2   -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -8  48 o 12.302  3.4326  22.869    16.467    12.192    31.101    27.028    19.411    11.767  5.1576  12.838  4.5312  -1.071106      6.865280 
1 1 1 2   -7  0  o 316.875 5.9272  13480.56  503.069   13434.78  711.631   13526.30  711.262   316.335 8.3988  317.414 8.3659  -1.078796      11.85450 
1 1 1 2   -7  1  o 286.589 5.3956  11024.88  414.059   10717.50  585.561   11332.27  585.576   282.584 7.7363  290.593 7.5233  -8.008759      10.79125 
1 1 1 2   -7  2  f 81.160  1.9756  882.414   42.947    881.057   60.726    883.771   60.748    81.098  2.7956  81.223  2.7923  -0.1248169     3.951250 
1 1 1 2   -7  3  o 110.494 2.3529  1636.16   69.598    1570.60   98.236    1702.22   98.619    108.271 3.3874  112.718 3.2665  -4.446983      4.705790 
1 1 1 2   -7  4  o 201.625 3.8475  5450.43   207.779   5482.17   293.721   5418.64   293.966   202.214 5.4230  201.037 5.4592  1.176605       7.694918 
1 1 1 2   -7  5  o 272.675 5.0888  9976.55   371.664   9985.72   525.471   9967.38   525.753   272.801 7.1914  272.550 7.2019  0.2513733      10.17761 
1 1 1 2   -7  6  o 30.746  1.4230  127.617   11.588    112.548   16.388    142.689   16.390    28.908  2.1315  32.585  1.8859  -3.676075      2.846025 
1 1 1 2   -7  7  o 47.238  1.5328  298.842   19.392    304.809   27.621    293.042   27.231    47.703  2.1617  46.773  2.1735  0.9298973      3.065527 
1 1 1 2   -7  8  o 179.086 3.5011  4299.74   167.902   4211.20   238.008   4387.46   236.895   177.249 5.0133  180.924 4.8885  -3.675217      7.002117 
1 1 1 2   -7  9  o 221.972 4.2360  6607.53   251.817   6497.07   356.732   6717.23   355.517   220.120 6.0505  223.824 5.9301  -3.703995      8.472041 
1 1 1 2   -7  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -7  11 o 93.234  3.1140  1165.32   77.731    1144.60   110.873   1185.34   109.008   92.417  4.4790  94.050  4.3273  -1.632347      6.227901 
1 1 1 2   -7  12 f 294.825 5.5260  11664.23  436.369   11757.42  617.055   11571.00  617.183   296.005 7.7828  293.644 7.8470  2.360748       11.05203 
1 1 1 2   -7  13 o 28.173  1.6673  107.073   12.461    103.611   17.587    110.564   17.658    27.709  2.3931  28.636  2.3222  -0.9272499     3.334584 
1 1 1 2   -7  14 o 387.975 7.1897  20224.26  747.116   20025.88  1055.96   20423.10  1057.21   386.065 10.212  389.886 10.124  -3.820953      14.37933 
1 1 1 2   -7  15 o 245.131 4.6992  8058.53   308.540   8024.46   435.779   8092.78   436.905   244.611 6.6512  245.651 6.6402  -1.039673      9.398431 
1 1 1 2   -7  16 o 125.687 2.7411  2116.52   92.273    2086.32   129.960   2147.23   131.033   124.782 3.8884  126.591 3.8645  -1.808784      5.482121 
1 1 1 2   -7  17 o 433.494 8.0390  25292.92  932.961   26204.33  1319.63   24382.14  1319.18   441.340 11.163  425.647 11.571  15.69287       16.07802 
1 1 1 2   -7  18 o 128.453 2.7846  2212.22   95.760    2282.38   135.042   2141.25   135.812   130.505 3.8633  126.402 4.0114  4.102303       5.569211 
1 1 1 2   -7  19 o 397.182 7.4044  21254.52  787.632   20875.94  1113.08   21634.19  1114.68   393.620 10.557  400.744 10.385  -7.123993      14.80887 
1 1 1 2   -7  20 o 75.181  2.0787  757.529   41.852    762.760   58.743    752.136   59.642    75.445  2.9070  74.916  2.9723  0.5283051      4.157496 
1 1 1 2   -7  21 o 111.942 2.5571  1680.63   76.661    1700.30   107.939   1660.62   108.898   112.604 3.5788  111.280 3.6535  1.324661       5.114290 
1 1 1 2   -7  22 o 104.558 3.4780  1468.74   97.397    1481.83   137.495   1455.56   137.987   105.027 4.8876  104.088 4.9494  0.9391022      6.955916 
1 1 1 2   -7  23 o 144.010 3.0147  2786.10   116.245   2746.82   165.795   2824.07   163.031   143.005 4.3284  145.015 4.1973  -2.009415      6.029318 
1 1 1 2   -7  24 o 118.528 2.6233  1884.87   83.251    1956.13   119.361   1817.37   116.174   120.710 3.6917  116.347 3.7279  4.362854       5.246540 
1 1 1 2   -7  25 o 66.584  1.9928  593.724   35.498    613.380   51.742    576.246   48.791    67.622  2.8567  65.546  2.7791  2.076073       3.985540 
1 1 1 2   -7  26 o 124.410 2.7595  2081.16   91.874    2033.70   131.773   2126.05   128.160   123.019 3.9991  125.802 3.8034  -2.782570      5.518983 
1 1 1 2   -7  27 o 20.186  2.7285  64.343    13.994    24.276    21.412    94.218    18.489    14.002  4.7685  26.370  2.6536  -12.36797      5.457092 
1 1 1 2   -7  28 o 20.555  2.7218  59.898    14.265    48.340    21.145    69.553    19.326    18.587  4.3280  22.523  3.3016  -3.935513      5.443526 
1 1 1 2   -7  29 o 105.589 2.5379  1503.62   71.516    1406.14   103.285   1593.41   99.122    102.271 3.7705  108.907 3.3980  -6.636688      5.075732 
1 1 1 2   -7  30 o 104.104 2.5133  1458.27   69.969    1440.35   101.539   1474.47   96.552    103.482 3.6634  104.727 3.4420  -1.245148      5.026694 
1 1 1 2   -7  31 o 110.897 2.5893  1655.66   76.821    1665.87   111.516   1646.44   105.979   111.209 3.7438  110.586 3.5779  0.6226959      5.178558 
1 1 1 2   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -7  33 f 94.796  2.4368  1215.86   61.651    1179.26   90.289    1247.82   84.387    93.419  3.6083  96.172  3.2759  -2.752563      4.873598 
1 1 1 2   -7  34 o 32.335  2.1128  140.541   17.869    153.394   27.974    131.681   23.225    33.550  3.1498  31.121  2.8167  2.428917       4.225521 
1 1 1 2   -7  35 o 56.109  2.1058  429.660   31.153    406.140   47.260    447.732   41.427    54.640  3.2437  57.577  2.6863  -2.936764      4.211621 
1 1 1 2   -7  36 o 11.092  2.7835  12.895    10.283    21.921    16.841    7.5299    12.985    12.865  4.2264  9.3194  3.6235  3.545769       5.567048 
1 1 1 2   -7  37 o 9.2302  2.3263  1.5897    10.055    -34.4964  16.848    21.557    12.532    6.0542  2.9769  12.406  3.5756  -6.351953      4.652665 
1 1 1 2   -7  38 o 42.511  2.3145  258.138   24.957    205.997   38.769    295.034   32.613    38.483  3.8114  46.539  2.6270  -8.056313      4.629017 
1 1 1 2   -7  39 o 36.647  2.2318  178.872   21.232    218.992   34.662    154.777   26.861    39.797  3.2810  33.498  3.0265  6.298481       4.463662 
1 1 1 2   -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -7  41 o 79.757  2.4255  885.900   51.353    907.853   78.360    869.374   67.987    80.416  3.6380  79.098  3.2090  1.317383       4.851046 
1 1 1 2   -7  42 o 18.881  3.3163  52.788    16.125    60.081    27.319    48.890    19.976    19.685  5.1296  18.078  4.2047  1.606441       6.632679 
1 1 1 2   -7  43 o 38.886  2.4243  211.222   24.238    241.028   40.373    194.425   30.308    40.741  3.7416  37.031  3.0837  3.709747       4.848561 
1 1 1 2   -7  44 o 23.716  3.2507  90.564    18.581    78.877    32.492    96.243    22.651    21.747  5.5573  25.684  3.3742  -3.937054      6.501413 
1 1 1 2   -7  45 o 16.556  3.5943  41.773    16.214    55.957    30.335    36.100    19.184    18.027  5.6488  15.084  4.4461  2.943013       7.188646 
1 1 1 2   -7  46 o 21.053  3.4670  64.782    17.979    100.363   33.577    50.481    21.287    24.423  5.2863  17.683  4.4871  6.739876       6.933913 
1 1 1 2   -7  47 o 22.175  4.8384  81.579    22.961    142.492   72.689    74.828    24.200    22.802  8.6473  21.547  4.3431  1.255190       9.676717 
1 1 1 2   -7  48 o 10.966  3.2700  11.590    14.531    20.845    29.092    8.5138    16.773    12.389  5.1969  9.5443  3.9703  2.844197       6.539995 
1 1 1 2   -6  0  o 252.537 4.7861  8556.48   323.719   8450.89   457.910   8661.98   457.705   250.976 6.8117  254.097 6.7251  -3.121002      9.572176 
1 1 1 2   -6  1  o 230.988 4.4140  7158.96   272.931   7453.02   386.405   6866.17   385.563   235.730 6.1198  226.246 6.3625  9.484329       8.827976 
1 1 1 2   -6  2  o 411.248 7.6050  22756.15  837.631   23100.24  1184.78   22412.29  1184.40   414.370 10.675  408.125 10.835  6.244843       15.20991 
1 1 1 2   -6  3  o 231.359 4.3734  7180.35   270.966   7012.85   382.934   7348.33   383.474   228.652 6.2526  234.065 6.1166  -5.413101      8.746865 
1 1 1 2   -6  4  o 160.077 3.1354  3434.46   134.433   3427.09   189.969   3441.85   190.264   159.905 4.4354  160.249 4.4328  -0.3440857     6.270725 
1 1 1 2   -6  5  o 61.365  1.6836  504.884   27.633    474.017   39.071    535.775   39.087    59.486  2.4522  63.243  2.3074  -3.757366      3.367101 
1 1 1 2   -6  6  o 279.433 5.2356  10479.99  391.827   10643.37  554.481   10317.02  553.774   281.613 7.3510  277.254 7.4570  4.359558       10.47112 
1 1 1 2   -6  7  o 359.056 6.6532  17323.33  639.851   17293.71  905.513   17352.87  904.259   358.748 9.4236  359.365 9.3944  -0.6167603     13.30633 
1 1 1 2   -6  8  o 198.454 3.8429  5282.27   204.168   5100.67   289.182   5462.77   288.296   195.048 5.5353  201.861 5.3321  -6.812698      7.685736 
1 1 1 2   -6  9  o 147.317 2.9897  2908.24   117.963   2952.48   167.219   2864.43   166.433   148.432 4.2060  146.201 4.2501  2.231064       5.979432 
1 1 1 2   -6  10 o 67.189  1.8521  604.726   33.332    606.311   47.063    603.130   47.214    67.277  2.6117  67.100  2.6270  0.1767960      3.704288 
1 1 1 2   -6  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -6  12 o 185.774 3.6779  4626.55   182.990   4698.25   258.475   4554.50   259.099   187.219 5.1544  184.329 5.2479  2.889374       7.355839 
1 1 1 2   -6  13 o 506.826 9.3615  34594.43  1270.85   34495.59  1796.82   34693.37  1797.69   506.099 13.255  507.554 13.223  -1.455536      18.72307 
1 1 1 2   -6  14 o 475.654 8.7571  30445.74  1115.66   30221.09  1577.26   30670.70  1578.31   473.890 12.426  477.417 12.343  -3.527466      17.51420 
1 1 1 2   -6  15 o 257.894 4.9026  8921.62   338.568   8675.09   478.264   9169.27   479.352   254.317 7.0211  261.470 6.8445  -7.153275      9.805235 
1 1 1 2   -6  16 o 181.597 3.6202  4420.21   176.088   4420.55   248.603   4419.87   249.452   181.604 5.1108  181.590 5.1287  0.1451111E-01  7.240445 
1 1 1 2   -6  17 o 114.776 2.5825  1766.22   79.336    1835.06   111.845   1696.50   112.555   117.030 3.5680  112.523 3.7345  4.507278       5.165035 
1 1 1 2   -6  18 o 341.627 6.3890  15683.82  584.555   15390.93  825.937   15977.78  827.437   338.422 9.1117  344.833 8.9585  -6.411255      12.77804 
1 1 1 2   -6  19 o 326.692 6.1299  14349.84  536.376   14231.12  757.907   14468.96  759.194   325.334 8.6976  328.050 8.6402  -2.715942      12.25971 
1 1 1 2   -6  20 o 102.098 2.3804  1398.19   64.737    1595.62   92.908    1211.88   90.254    109.113 3.1790  95.083  3.5438  14.02985       4.760729 
1 1 1 2   -6  21 o 234.505 4.5773  7403.82   287.070   6956.05   406.929   7847.44   405.034   227.407 6.6808  241.602 6.2589  -14.19595      9.154622 
1 1 1 2   -6  22 o 311.123 11.888  13197.31  990.674   13197.31  990.674   0.0000    0.0000    311.123 11.888  ?       ?       ?              ?        
1 1 1 2   -6  23 o 149.079 3.0758  2984.37   122.803   3039.68   175.299   2931.07   172.086   150.434 4.3505  147.723 4.3492  2.711884       6.151633 
1 1 1 2   -6  24 o 105.840 2.4452  1502.32   69.293    1544.09   99.684    1463.28   96.390    107.261 3.4697  104.418 3.4464  2.843185       4.890453 
1 1 1 2   -6  25 o 112.387 2.5278  1696.76   75.468    1994.62   108.864   1421.20   104.712   121.907 3.3340  102.868 3.8004  19.03806       5.055530 
1 1 1 2   -6  26 o 121.422 2.7166  1981.34   88.293    1960.38   126.782   2001.09   123.033   120.791 3.9186  122.054 3.7634  -1.263054      5.433129 
1 1 1 2   -6  27 o 93.435  2.3864  1177.44   59.452    1085.98   85.885    1261.58   82.382    89.922  3.5658  96.948  3.1725  -7.026466      4.772841 
1 1 1 2   -6  28 o 58.991  2.0995  474.627   32.592    405.830   47.857    534.137   44.510    54.881  3.2705  63.101  2.6335  -8.220028      4.198948 
1 1 1 2   -6  29 o 102.055 2.4343  1396.35   66.470    1475.65   96.608    1325.06   91.598    104.801 3.4416  99.309  3.4436  5.491562       4.868559 
1 1 1 2   -6  30 o 121.560 2.7130  1984.76   88.234    2118.11   127.733   1863.07   122.025   125.463 3.8010  117.657 3.8721  7.805984       5.425931 
1 1 1 2   -6  31 o 17.740  2.8483  42.755    12.916    50.466    21.190    38.197    16.293    18.968  4.2734  16.513  3.7670  2.455029       5.696693 
1 1 1 2   -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -6  33 o 153.756 3.2564  3210.87   134.038   3306.74   193.434   3122.31   185.907   155.949 4.6309  151.563 4.5795  4.386246       6.512795 
1 1 1 2   -6  34 f 79.021  2.2545  843.497   47.518    851.967   70.660    836.504   64.204    79.350  3.3246  78.691  3.0461  0.6586838      4.509059 
1 1 1 2   -6  35 o 25.329  2.3858  90.520    15.164    80.277    24.094    97.239    19.513    23.976  3.8847  26.683  2.7707  -2.706470      4.771593 
1 1 1 2   -6  36 o 24.670  2.4777  85.015    15.456    82.448    24.692    86.670    19.819    24.242  3.9379  25.097  3.0082  -0.8551426     4.955461 
1 1 1 2   -6  37 o 96.266  2.5617  1275.39   65.601    1215.85   97.223    1325.14   88.885    94.047  3.8595  98.485  3.3695  -4.437782      5.123447 
1 1 1 2   -6  38 o 16.565  2.9597  42.364    13.506    23.428    22.396    53.188    16.932    13.691  4.8634  19.440  3.3743  -5.748468      5.919333 
1 1 1 2   -6  39 o 76.355  2.3019  792.506   46.728    874.059   71.587    731.960   61.682    79.679  3.3543  73.031  3.1533  6.648270       4.603719 
1 1 1 2   -6  40 o 24.259  4.4602  85.756    27.913    0.0000    0.0000    85.756    27.913    ?       ?       24.259  4.4602  ?              ?        
1 1 1 2   -6  41 o 11.348  3.0736  14.137    12.884    6.1846    22.734    17.899    15.638    11.018  4.6061  11.677  4.0709  -0.6593075     6.147266 
1 1 1 2   -6  42 o 56.747  2.4181  459.746   35.590    437.652   56.302    474.450   45.930    55.208  3.8312  58.286  2.9516  -3.078613      4.836285 
1 1 1 2   -6  43 o 29.526  2.6702  122.489   19.928    148.632   33.862    108.636   24.648    31.648  4.0903  27.403  3.4336  4.245638       5.340415 
1 1 1 2   -6  44 o 20.192  3.3160  58.072    16.631    87.108    30.392    45.661    19.870    23.285  5.0206  17.098  4.3333  6.187748       6.632075 
1 1 1 2   -6  45 o 27.951  2.9678  113.408   20.487    143.155   36.228    99.422    24.841    30.146  4.6351  25.756  3.7076  4.389940       5.935556 
1 1 1 2   -6  46 o 23.045  3.2746  76.304    18.393    117.092   33.895    59.281    21.897    26.800  4.9024  19.290  4.3427  7.510380       6.549295 
1 1 1 2   -6  47 o 15.318  3.6740  40.337    17.145    38.458    33.129    41.025    20.036    14.937  5.7933  15.700  4.5200  -0.7628002     7.348011 
1 1 1 2   -6  48 o 16.567  3.6382  52.703    17.704    42.540    35.083    56.175    20.507    14.828  5.8977  18.307  4.2618  -3.478794      7.276374 
1 1 1 2   -5  0  o 141.564 2.9393  2685.90   111.449   2667.84   157.760   2703.89   157.466   141.088 4.1746  142.039 4.1389  -0.9510803     5.878631 
1 1 1 2   -5  1  o 124.696 2.6343  2083.90   87.958    2148.49   124.605   2019.75   124.179   126.623 3.6740  122.769 3.7764  3.854454       5.268663 
1 1 1 2   -5  2  o 238.430 4.4972  7626.83   287.197   7693.22   406.128   7560.43   406.187   239.469 6.3318  237.390 6.3881  2.079407       8.994415 
1 1 1 2   -5  3  o 378.462 6.9902  19264.07  708.552   19524.95  1002.12   19003.27  1001.96   381.035 9.8190  375.889 9.9518  5.146057       13.98042 
1 1 1 2   -5  4  o 250.741 4.7490  8436.22   318.948   8410.90   451.028   8461.56   451.092   250.364 6.7258  251.118 6.7065  -0.7542572     9.498083 
1 1 1 2   -5  5  o 139.843 2.8194  2620.76   105.606   2640.38   149.590   2601.27   149.109   140.365 3.9788  139.321 3.9957  1.043777       5.638883 
1 1 1 2   -5  6  o 139.161 2.8469  2596.23   106.074   2522.99   150.463   2668.59   149.564   137.208 4.0941  141.115 3.9570  -3.906723      5.693836 
1 1 1 2   -5  7  o 151.100 3.0381  3059.80   122.957   3080.51   174.327   3039.29   173.452   151.609 4.2929  150.591 4.3002  1.017929       6.076273 
1 1 1 2   -5  8  o 43.147  1.5993  250.058   18.418    251.149   26.038    248.965   26.056    43.242  2.2559  43.052  2.2676  0.1895638      3.198635 
1 1 1 2   -5  9  o 293.532 5.5114  11565.35  433.270   11763.65  612.569   11366.84  612.904   296.056 7.7249  291.009 7.8632  5.047455       11.02286 
1 1 1 2   -5  10 o 412.398 7.6295  22877.92  842.174   21876.57  1189.96   23882.84  1192.07   403.318 11.015  421.478 10.559  -18.15982      15.25897 
1 1 1 2   -5  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -5  12 o 358.502 9.4757  17318.03  909.612   16825.33  1286.51   17810.53  1286.26   353.372 13.592  363.632 13.206  -10.26038      18.95135 
1 1 1 2   -5  13 o 486.108 8.9860  31821.29  1169.34   30549.84  1652.42   33096.67  1654.97   476.330 12.952  495.886 12.460  -19.55655      17.97210 
1 1 1 2   -5  14 o 385.807 7.1712  20000.73  740.911   19519.88  1047.08   20482.91  1048.53   381.148 10.256  390.466 10.026  -9.317474      14.34250 
1 1 1 2   -5  15 o 161.808 3.2863  3509.18   142.406   3570.17   201.075   3447.80   201.710   163.220 4.5993  160.396 4.6951  2.823959       6.572515 
1 1 1 2   -5  16 o 232.796 4.4816  7267.58   279.427   7354.17   394.819   7180.68   395.521   234.187 6.2943  231.404 6.3813  2.782974       8.963199 
1 1 1 2   -5  17 o 411.643 7.5952  22788.66  837.147   23510.59  1185.43   22070.43  1182.39   418.172 10.584  405.114 10.897  13.05750       15.19042 
1 1 1 2   -5  18 o 387.408 7.2982  20208.53  756.118   18906.11  1069.35   21510.77  1069.28   374.857 10.650  399.959 9.9813  -25.10126      14.59644 
1 1 1 2   -5  19 o 311.193 5.8317  13018.26  485.963   12704.91  688.232   13329.84  686.284   307.443 8.3576  314.944 8.1355  -7.500488      11.66341 
1 1 1 2   -5  20 o 187.956 3.7834  4751.50   189.939   4364.19   269.569   5133.38   267.671   180.316 5.5815  195.597 5.1092  -15.28145      7.566785 
1 1 1 2   -5  21 o 108.684 2.4537  1583.06   71.218    1753.56   102.301   1422.71   99.206    114.364 3.3397  103.003 3.5958  11.36135       4.907465 
1 1 1 2   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -5  23 o 181.563 3.6926  4442.63   179.150   4119.68   254.658   4759.04   252.073   174.986 5.4333  188.141 5.0021  -13.15497      7.385267 
1 1 1 2   -5  24 o 244.785 4.7647  8090.95   312.340   7965.04   443.456   8214.90   439.997   242.872 6.8169  246.698 6.6588  -3.826218      9.529367 
1 1 1 2   -5  25 o 133.549 2.8719  2395.81   102.703   2417.93   147.192   2374.82   143.372   134.146 4.0965  132.952 4.0261  1.193665       5.743759 
1 1 1 2   -5  26 o 102.303 2.4418  1404.19   66.864    1430.91   96.701    1379.70   92.555    103.232 3.4973  101.375 3.4087  1.857460       4.883613 
1 1 1 2   -5  27 o 31.721  2.3041  138.809   18.910    119.517   28.169    154.636   25.514    29.611  3.6275  33.831  2.8419  -4.220266      4.608186 
1 1 1 2   -5  28 o 265.071 5.1645  9537.92   366.359   9148.96   520.403   9920.10   515.846   259.626 7.4835  270.517 7.1193  -10.89120      10.32893 
1 1 1 2   -5  29 o 59.623  2.0613  480.018   32.624    456.803   48.364    499.401   44.192    58.242  3.1115  61.004  2.7046  -2.761208      4.122629 
1 1 1 2   -5  30 o 118.305 2.7766  1894.34   87.507    1723.91   126.324   2051.57   121.334   113.122 4.1692  123.487 3.6684  -10.36513      5.553274 
1 1 1 2   -5  31 o 123.666 2.8573  2071.85   94.223    1915.65   136.148   2215.44   130.533   119.122 4.2671  128.210 3.8011  -9.087860      5.714555 
1 1 1 2   -5  32 o 59.423  2.0872  469.693   32.944    536.968   50.100    418.445   43.727    63.163  2.9613  55.683  2.9422  7.479630       4.174479 
1 1 1 2   -5  33 o 103.026 2.5256  1433.02   69.568    1467.42   101.974   1403.07   95.148    104.158 3.6552  101.894 3.4863  2.264015       5.051176 
1 1 1 2   -5  34 o 30.696  2.2263  129.358   17.566    125.741   27.938    131.723   22.590    30.263  3.5119  31.130  2.7371  -0.8671417     4.452552 
1 1 1 2   -5  35 o 18.794  2.7220  49.241    12.955    52.659    20.963    47.129    16.478    19.261  4.1831  18.328  3.4840  0.9336376      5.443903 
1 1 1 2   -5  36 o 56.961  2.1901  446.692   32.728    410.920   49.965    473.574   43.313    54.797  3.4213  59.124  2.7350  -4.326954      4.380155 
1 1 1 2   -5  37 o 18.525  2.9265  48.925    13.607    49.219    23.251    48.773    16.781    18.458  4.6927  18.592  3.4981  -0.1345692     5.853041 
1 1 1 2   -5  38 o 22.679  2.7816  72.427    15.743    75.005    26.057    70.946    19.757    22.846  4.4180  22.512  3.3810  0.3338490      5.563272 
1 1 1 2   -5  39 o 51.688  2.2172  362.987   30.099    397.321   47.576    340.073   38.866    53.613  3.3295  49.764  2.9288  3.849205       4.434356 
1 1 1 2   -5  40 o 33.385  2.4685  155.687   20.939    159.551   34.643    153.463   26.284    33.508  3.9348  33.263  2.9817  0.2449417      4.936980 
1 1 1 2   -5  41 o 21.425  3.1767  69.521    16.773    63.960    29.088    72.291    20.530    20.390  5.2831  22.460  3.5289  -2.070438      6.353342 
1 1 1 2   -5  42 o 20.290  3.0514  53.403    15.709    98.868    27.986    32.488    18.981    25.850  4.1849  14.730  4.4418  11.12049       6.102752 
1 1 1 2   -5  43 o 12.818  3.3748  21.030    14.465    24.796    26.803    19.482    17.182    13.694  5.2371  11.942  4.2580  1.752829       6.749627 
1 1 1 2   -5  44 o 13.200  3.3774  17.700    14.649    45.538    27.649    6.8365    17.272    16.645  5.4127  9.7559  4.0412  6.889116       6.754899 
1 1 1 2   -5  45 o 10.675  3.1698  5.7980    14.123    19.494    26.187    0.1804    16.771    12.644  5.0729  8.7056  3.8023  3.938169       6.339692 
1 1 1 2   -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -5  47 o 18.736  3.6651  53.393    17.959    91.918    33.605    37.990    21.249    22.509  5.5974  14.963  4.7331  7.546382       7.330269 
1 1 1 2   -5  48 o 13.317  3.6676  27.697    16.867    43.449    33.605    22.392    19.502    14.781  5.8058  11.853  4.4829  2.927595       7.335118 
1 1 1 2   -4  0  o 239.876 4.6054  7722.87   295.751   8015.74   418.616   7431.00   417.895   244.426 6.3941  235.326 6.6299  9.100235       9.210868 
1 1 1 2   -4  1  o 244.122 4.6178  7996.61   301.948   8036.42   427.102   7956.84   426.935   244.730 6.5156  243.513 6.5456  1.216965       9.235699 
1 1 1 2   -4  2  o 228.593 4.3215  7010.21   264.577   6913.13   374.002   7107.47   374.335   227.006 6.1510  230.180 6.0716  -3.173706      8.642905 
1 1 1 2   -4  3  o 637.913 11.805  55181.39  2016.96   54781.16  2852.02   55581.83  2852.81   635.571 16.753  640.255 16.635  -4.683777      23.60948 
1 1 1 2   -4  4  o 353.422 6.5378  16791.90  618.889   16853.10  875.539   16730.78  874.943   354.068 9.2321  352.777 9.2596  1.291229       13.07559 
1 1 1 2   -4  5  o 236.286 4.4922  7492.87   284.173   7236.28   402.172   7748.72   401.592   232.237 6.4653  240.335 6.2385  -8.097549      8.984402 
1 1 1 2   -4  6  o 239.617 4.5447  7702.94   291.685   7720.74   412.710   7685.17   412.300   239.893 6.4230  239.340 6.4315  0.5537109      9.089475 
1 1 1 2   -4  7  o 255.863 4.8362  8784.70   331.402   8629.01   468.266   8940.94   469.083   253.588 6.8940  258.139 6.7843  -4.550613      9.672389 
1 1 1 2   -4  8  o 467.001 8.6137  29381.27  1077.16   28594.66  1522.56   30169.50  1524.12   460.708 12.338  473.295 12.023  -12.58731      17.22731 
1 1 1 2   -4  9  o 216.495 4.1805  6285.22   242.417   6308.91   342.656   6261.48   343.003   216.905 5.8979  216.086 5.9263  0.8182373      8.361000 
1 1 1 2   -4  10 o 308.786 5.8113  12804.36  480.339   12264.53  678.658   13346.24  679.946   302.247 8.3830  315.325 8.0506  -13.07724      11.62268 
1 1 1 2   -4  11 o 424.832 7.8754  24272.12  896.146   24308.13  1267.11   24236.08  1267.58   425.149 11.127  424.515 11.148  0.6337891      15.75083 
1 1 1 2   -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -4  13 o 432.993 8.0108  25212.40  929.020   24932.05  1313.31   25493.20  1314.36   430.575 11.388  435.412 11.270  -4.837006      16.02151 
1 1 1 2   -4  14 o 466.506 8.6531  29301.86  1080.07   27729.83  1527.04   30875.55  1527.85   453.919 12.560  479.093 11.906  -25.17413      17.30625 
1 1 1 2   -4  15 o 214.924 4.1913  6195.61   241.157   5982.88   341.750   6406.60   340.350   211.243 6.0400  218.605 5.8127  -7.361359      8.382649 
1 1 1 2   -4  16 o 337.284 6.3495  15280.03  573.322   14725.88  811.350   15832.68  810.251   331.158 9.1471  343.411 8.8088  -12.25247      12.69899 
1 1 1 2   -4  17 o 433.259 7.9791  25255.26  925.646   26043.65  1310.78   24471.00  1307.34   440.032 11.121  426.485 11.444  13.54666       15.95811 
1 1 1 2   -4  18 f 221.164 4.2154  6583.90   247.940   7544.24   352.635   5644.98   348.679   237.193 5.5505  205.135 6.3459  32.05759       8.430861 
1 1 1 2   -4  19 o 134.376 2.8886  2423.91   103.810   2294.66   147.851   2549.58   145.789   130.834 4.2190  137.918 3.9465  -7.084259      5.777134 
1 1 1 2   -4  20 f 93.758  2.2787  1178.69   57.188    1162.33   82.010    1194.17   79.787    93.123  3.2879  94.393  3.1558  -1.269844      4.557317 
1 1 1 2   -4  21 o 194.119 3.8067  5061.50   197.916   5072.55   281.378   5050.69   278.436   194.326 5.4059  193.912 5.3608  0.4143372      7.613307 
1 1 1 2   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -4  23 o 102.273 2.4216  1403.08   66.305    1414.74   95.397    1392.18   92.222    102.682 3.4686  101.865 3.3800  0.8169708      4.843123 
1 1 1 2   -4  24 o 106.131 2.4448  1509.77   69.449    1585.49   100.191   1439.74   96.354    108.690 3.4415  103.572 3.4733  5.118080       4.889530 
1 1 1 2   -4  25 o 162.194 3.3365  3538.71   144.914   3534.78   207.096   3542.49   202.848   162.098 4.7699  162.290 4.6665  -0.1921234     6.672914 
1 1 1 2   -4  26 o 150.378 3.0977  3038.88   124.458   3342.55   178.777   2753.31   173.368   157.684 4.2329  143.073 4.5240  14.61038       6.195467 
1 1 1 2   -4  27 o 192.919 3.8441  5016.09   198.614   5090.85   283.559   4944.10   278.282   194.327 5.4478  191.511 5.4250  2.816025       7.688263 
1 1 1 2   -4  28 o 273.446 5.2029  10147.13  380.721   10720.79  541.813   9587.62   535.093   281.159 7.1946  265.733 7.5179  15.42651       10.40582 
1 1 1 2   -4  29 o 162.139 3.3598  3542.55   145.870   3579.46   209.274   3507.67   203.432   162.950 4.7948  161.327 4.7079  1.623489       6.719693 
1 1 1 2   -4  30 o 111.498 2.7082  1685.80   80.287    1508.75   116.292   1847.05   110.980   105.821 4.1029  117.176 3.5360  -11.35489      5.416387 
1 1 1 2   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -4  32 o 37.472  2.0784  187.869   20.523    207.945   31.584    173.197   27.001    39.180  3.0333  35.763  2.8421  3.416767       4.156766 
1 1 1 2   -4  33 o 33.351  2.1924  154.581   18.807    134.357   28.929    169.385   24.752    31.331  3.5074  35.370  2.6315  -4.039051      4.384847 
1 1 1 2   -4  34 o 55.480  2.0914  413.086   30.719    448.309   47.154    387.117   40.489    57.495  3.0731  53.466  2.8375  4.028603       4.182736 
1 1 1 2   -4  35 o 58.286  2.1917  467.185   33.498    426.734   51.119    497.627   44.346    55.914  3.4299  60.658  2.7294  -4.744495      4.383350 
1 1 1 2   -4  36 o 28.967  2.4058  118.082   17.571    107.081   28.179    125.080   22.475    27.688  3.9084  30.246  2.8062  -2.557873      4.811514 
1 1 1 2   -4  37 o 30.960  2.3892  132.704   18.832    131.830   30.665    133.233   23.862    30.748  3.8047  31.171  2.8909  -0.4239349     4.778350 
1 1 1 2   -4  38 o 41.497  2.2436  233.319   24.201    254.555   39.152    220.188   30.787    42.913  3.4351  40.081  2.8871  2.831978       4.487174 
1 1 1 2   -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -4  40 o 73.592  2.4127  752.371   46.935    760.301   72.549    746.663   61.550    73.705  3.6749  73.479  3.1273  0.2260818      4.825456 
1 1 1 2   -4  41 o 19.639  3.2158  65.264    16.832    31.926    29.052    82.108    20.650    15.242  5.5240  24.037  3.2941  -8.795091      6.431657 
1 1 1 2   -4  42 o 15.833  3.0182  41.765    14.399    13.117    25.190    55.668    17.548    12.112  4.9336  19.553  3.4781  -7.440583      6.036382 
1 1 1 2   -4  43 o 21.282  3.2542  64.282    17.205    93.499    30.615    50.795    20.800    24.427  4.8502  18.136  4.3398  6.291006       6.508334 
1 1 1 2   -4  44 o 39.399  2.6950  230.647   26.383    228.639   45.146    231.689   32.513    38.580  4.4505  40.219  3.0406  -1.639004      5.390011 
1 1 1 2   -4  45 o 7.5473  2.5331  -15.7505  12.982    -42.5323  26.395    -7.2049   14.910    7.7151  3.7798  7.3794  3.3734  0.3357530      5.066229 
1 1 1 2   -4  46 o 19.656  4.5123  62.703    23.254    0.0000    0.0000    62.703    23.254    ?       ?       19.656  4.5123  ?              ?        
1 1 1 2   -4  47 o 15.329  2.9015  44.184    17.252    -30.4024  33.782    70.501    20.066    9.3595  4.5123  21.299  3.6487  -11.93955      5.802917 
1 1 1 2   -3  0  o 557.863 10.303  42141.83  1536.02   38886.89  2170.21   45409.11  2174.32   536.043 15.115  579.682 14.004  -43.63916      20.60520 
1 1 1 2   -3  1  o 269.474 5.0448  9748.86   364.078   9936.62   514.952   9561.19   514.817   272.075 7.0663  266.874 7.2021  5.201141       10.08970 
1 1 1 2   -3  2  o 491.173 9.0493  32554.58  1190.53   32585.93  1683.58   32523.22  1683.75   491.412 12.791  490.935 12.805  0.4770813      18.09867 
1 1 1 2   -3  3  o 106.234 2.2933  1512.40   65.243    1486.70   92.529    1537.81   92.007    105.336 3.2795  107.132 3.2064  -1.796280      4.586536 
1 1 1 2   -3  4  o 354.194 6.6107  16869.16  627.109   16625.44  887.043   17112.68  886.688   351.625 9.4184  356.762 9.2790  -5.136475      13.22143 
1 1 1 2   -3  5  o 234.625 4.4766  7386.00   281.294   7253.24   397.497   7519.17   398.123   232.510 6.3827  236.741 6.2785  -4.230789      8.953102 
1 1 1 2   -3  6  o 276.353 5.2104  10255.65  385.438   9833.49   544.688   10679.06  545.496   270.641 7.5139  282.064 7.2203  -11.42249      10.42071 
1 1 1 2   -3  7  o 337.524 6.3039  15309.83  569.743   14876.31  805.238   15744.43  806.240   332.723 9.0355  342.324 8.7930  -9.601074      12.60783 
1 1 1 2   -3  8  o 283.020 5.3186  10752.10  403.136   10940.75  570.091   10563.42  570.149   285.509 7.4548  280.531 7.5878  4.977600       10.63715 
1 1 1 2   -3  9  o 258.981 4.9253  8998.72   341.648   9064.52   483.015   8932.85   483.311   259.930 6.9377  258.031 6.9930  1.898468       9.850591 
1 1 1 2   -3  10 o 150.738 3.0862  3046.47   124.524   3170.96   175.993   2921.67   176.215   153.825 4.2715  147.650 4.4557  6.174530       6.172451 
1 1 1 2   -3  11 o 113.708 2.5260  1733.93   76.855    1655.33   109.212   1811.05   108.174   111.151 3.6683  116.265 3.4737  -5.113297      5.052011 
1 1 1 2   -3  12 o 327.727 8.8156  14485.54  771.732   13285.54  1093.14   15677.90  1089.66   314.097 12.993  341.356 11.918  -27.25903      17.63124 
1 1 1 2   -3  13 o 666.475 12.198  60067.45  2176.31   62380.09  3080.41   57762.73  3075.13   679.403 16.927  653.548 17.567  25.85461       24.39548 
1 1 1 2   -3  14 o 254.968 4.9489  8739.48   336.831   7916.43   476.573   9560.99   476.129   242.927 7.3243  267.009 6.6575  -24.08127      9.897829 
1 1 1 2   -3  15 o 205.959 3.9855  5686.60   219.795   5869.96   311.931   5505.79   309.755   209.259 5.5653  202.659 5.7064  6.599960       7.970912 
1 1 1 2   -3  16 o 369.323 6.8516  18322.09  677.765   18217.74  959.461   18426.03  957.552   368.269 9.7269  370.377 9.6523  -2.107819      13.70323 
1 1 1 2   -3  17 o 503.400 9.2595  34145.65  1248.43   34636.83  1767.09   33656.19  1764.00   507.034 13.012  499.767 13.178  7.267487       18.51908 
1 1 1 2   -3  18 o 147.929 3.0488  2932.36   120.779   3012.51   172.073   2854.53   169.569   149.921 4.2851  145.936 4.3381  3.985367       6.097610 
1 1 1 2   -3  19 o 176.422 3.4957  4178.09   164.705   4588.45   234.643   3779.50   231.251   184.980 4.7358  167.864 5.1432  17.11548       6.991487 
1 1 1 2   -3  20 o 426.479 7.9450  24605.24  907.547   24861.20  1285.22   24350.67  1281.71   428.708 11.193  424.250 11.279  4.457367       15.89006 
1 1 1 2   -3  21 o 266.858 5.0358  9592.32   359.650   10089.73  510.742   9103.08   506.528   273.754 6.9655  259.962 7.2745  13.79138       10.07159 
1 1 1 2   -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -3  23 o 152.280 3.1210  3117.91   126.670   3531.39   181.520   2725.43   176.848   162.154 4.1793  142.406 4.6364  19.74727       6.242064 
1 1 1 2   -3  24 o 219.686 4.3860  6519.54   257.590   6097.68   366.037   6933.42   362.562   212.577 6.4286  226.795 5.9684  -14.21776      8.772081 
1 1 1 2   -3  25 o 155.318 3.2214  3242.49   133.979   3343.35   191.837   3146.44   187.199   157.677 4.5423  152.959 4.5692  4.717667       6.442799 
1 1 1 2   -3  26 o 103.591 2.5492  1451.76   70.199    1287.36   101.332   1603.45   97.340    97.889  3.8648  109.292 3.3252  -11.40329      5.098352 
1 1 1 2   -3  27 o 29.707  2.2522  117.213   17.063    162.451   26.170    83.759    22.504    34.681  2.8422  24.732  3.4945  9.948999       4.504359 
1 1 1 2   -3  28 o 40.696  2.0035  221.629   21.607    241.517   32.482    205.845   28.938    42.325  2.8825  39.068  2.7836  3.256077       4.007096 
1 1 1 2   -3  29 o 44.144  2.0224  262.746   23.596    262.459   35.650    262.969   31.477    44.104  3.0363  44.184  2.6723  -0.8005142E-01 4.044798 
1 1 1 2   -3  30 o 72.781  2.1636  708.556   42.054    756.563   62.460    668.745   56.879    75.022  3.1083  70.541  3.0104  4.480209       4.327127 
1 1 1 2   -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -3  32 o 82.281  2.2709  908.985   49.902    961.212   74.087    865.616   67.514    84.424  3.2764  80.138  3.1453  4.286186       4.541775 
1 1 1 2   -3  33 f 39.896  2.1065  217.696   21.986    205.191   33.656    227.004   29.037    38.831  3.2662  40.961  2.6611  -2.129932      4.213012 
1 1 1 2   -3  34 o 32.739  2.2156  147.052   18.764    143.110   29.519    149.725   24.308    32.295  3.4668  33.183  2.7599  -0.8885574     4.431188 
1 1 1 2   -3  35 o 62.440  2.1714  529.785   35.875    529.269   54.707    530.174   47.518    62.312  3.2895  62.568  2.8354  -0.2557297     4.342812 
1 1 1 2   -3  36 o 56.305  2.1777  431.437   32.246    438.721   50.177    426.311   42.088    56.626  3.3228  55.985  2.8157  0.6414871      4.355402 
1 1 1 2   -3  37 o 35.724  2.2361  170.191   20.774    203.644   33.609    149.509   26.426    38.459  3.2944  32.989  3.0244  5.470016       4.472123 
1 1 1 2   -3  38 f 9.1617  2.7129  2.2819    10.462    6.4260    18.718    0.3989    12.617    10.388  4.2446  7.9351  3.3798  2.453178       5.425771 
1 1 1 2   -3  39 o 17.800  4.8310  46.789    23.621    0.0000    0.0000    46.789    23.621    ?       ?       17.800  4.8310  ?              ?        
1 1 1 2   -3  40 o 10.511  2.9885  2.8704    12.186    22.194    22.885    -4.7766   14.396    13.321  4.8914  7.6998  3.4350  5.621469       5.977030 
1 1 1 2   -3  41 o 12.666  3.3003  19.737    14.075    22.660    24.626    18.318    17.152    13.452  5.0483  11.881  4.2523  1.571060       6.600591 
1 1 1 2   -3  42 o 16.454  3.3673  41.117    15.100    44.019    26.147    39.664    18.496    16.755  5.2435  16.154  4.2262  0.6005688      6.734601 
1 1 1 2   -3  43 o 34.272  2.6400  160.667   22.890    220.334   39.763    131.094   27.993    38.599  3.8996  29.945  3.5598  8.653303       5.280051 
1 1 1 2   -3  44 o 14.531  2.9609  5.6747    14.642    79.794    28.663    -20.4951  17.032    22.243  4.9397  6.8190  3.2661  15.42441       5.921777 
1 1 1 2   -3  45 o 11.102  3.4993  -2.3559   22.010    13.503    28.118    -27.4483  35.369    12.124  5.0989  10.079  4.7939  2.045459       6.998597 
1 1 1 2   -3  46 o 12.125  3.2015  21.067    15.512    -12.9993  31.375    32.088    17.845    10.147  4.7276  14.104  4.3185  -3.957031      6.403074 
1 1 1 2   -3  47 o 11.345  3.3694  14.972    16.100    12.071    31.470    16.000    18.737    11.759  5.1703  10.931  4.3220  0.8278160      6.738824 
1 1 1 2   -2  0  o 244.332 4.6953  8012.43   307.224   7835.72   434.441   8189.20   434.520   241.632 6.7126  247.033 6.5670  -5.401215      9.390623 
1 1 1 2   -2  1  o 441.909 9.5818  25512.19  1082.98   23647.78  1325.08   29262.89  1879.44   418.845 11.811  464.973 15.091  -46.12851      19.16351 
1 1 1 2   -2  2  o 419.901 7.8275  23781.92  878.348   21917.15  1241.20   25652.54  1243.15   403.297 11.490  436.505 10.633  -33.20862      15.65500 
1 1 1 2   -2  3  o 538.951 10.021  39267.11  1446.47   39884.66  2045.56   38649.49  2045.68   543.229 14.059  534.673 14.284  8.556580       20.04209 
1 1 1 2   -2  4  o 198.647 3.8874  5292.40   206.812   5194.49   292.310   5390.52   292.642   196.805 5.5452  200.489 5.4495  -3.683975      7.774750 
1 1 1 2   -2  5  o 290.514 5.4797  11347.27  425.551   12184.92  602.367   10512.66  601.273   301.259 7.4651  279.769 8.0238  21.48923       10.95943 
1 1 1 2   -2  6  o 161.564 3.2482  3499.11   140.554   3442.74   198.574   3555.72   198.973   160.258 4.6261  162.869 4.5611  -2.610550      6.496469 
1 1 1 2   -2  7  o 152.084 3.1447  3109.36   127.568   2788.72   180.692   3428.01   180.128   144.237 4.6771  159.931 4.2049  -15.69417      6.289390 
1 1 1 2   -2  8  o 210.270 4.0470  5929.73   227.830   6151.37   323.035   5710.37   321.373   214.184 5.6308  206.355 5.8144  7.828827       8.094046 
1 1 1 2   -2  9  o 174.911 3.5013  4104.36   163.862   3900.37   232.267   4306.49   231.209   170.576 5.0837  179.245 4.8158  -8.669312      7.002573 
1 1 1 2   -2  10 o 223.439 4.3106  6694.85   257.975   6672.77   365.541   6716.77   364.125   223.071 6.1179  223.807 6.0742  -0.7363129     8.621177 
1 1 1 2   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -2  12 o 436.897 8.0672  25670.78  944.043   25691.94  1335.96   25649.68  1334.20   437.076 11.412  436.717 11.406  0.3586426      16.13445 
1 1 1 2   -2  13 o 405.551 7.4667  22106.20  810.902   21557.41  1146.20   22656.10  1147.38   400.494 10.685  410.607 10.433  -10.11288      14.93346 
1 1 1 2   -2  14 o 660.141 12.202  58901.54  2156.80   60649.09  3051.34   57156.65  3049.01   670.015 17.003  650.268 17.506  19.74707       24.40364 
1 1 1 2   -2  15 o 126.184 2.7430  2135.69   92.555    2278.67   130.924   1992.85   130.860   130.412 3.7481  121.956 4.0061  8.456673       5.486049 
1 1 1 2   -2  16 o 80.114  2.0740  860.396   44.423    795.462   62.512    926.644   63.141    77.058  3.0287  83.171  2.8343  -6.113091      4.148075 
1 1 1 2   -2  17 o 263.273 5.0866  9302.02   358.579   9025.77   506.718   9579.12   507.497   259.350 7.2944  267.197 7.0911  -7.846313      10.17311 
1 1 1 2   -2  18 o 130.681 2.7342  2288.70   95.701    2301.82   135.227   2275.54   135.457   131.056 3.8523  130.305 3.8811  0.7509003      5.468311 
1 1 1 2   -2  19 o 317.043 5.8964  13520.72  500.715   13531.48  707.970   13509.95  708.267   317.170 8.3336  316.916 8.3438  0.2541199      11.79272 
1 1 1 2   -2  20 o 78.874  2.0844  834.368   43.998    872.459   62.109    796.000   62.336    80.684  2.8740  77.064  3.0199  3.619347       4.168893 
1 1 1 2   -2  21 o 252.441 6.0719  8640.99   385.432   8704.05   471.210   8513.50   670.001   254.219 6.9202  250.663 9.9792  3.556763       12.14388 
1 1 1 2   -2  22 o 228.355 5.6102  7156.25   320.119   6737.58   556.328   7363.49   391.409   222.890 9.3186  233.819 6.2497  -10.92857      11.22033 
1 1 1 2   -2  23 o 259.246 5.1411  9102.61   355.828   8294.18   504.599   9902.23   501.845   247.661 7.6068  270.831 6.9180  -23.17039      10.28212 
1 1 1 2   -2  24 o 175.087 3.7301  4164.54   172.847   3458.03   245.946   4854.05   242.967   160.198 5.7319  189.977 4.7748  -29.77867      7.460104 
1 1 1 2   -2  25 o 103.511 2.5501  1448.56   70.213    1294.28   101.387   1590.74   97.328    98.160  3.8562  108.863 3.3379  -10.70364      5.100163 
1 1 1 2   -2  26 o 120.750 2.7316  1958.02   88.283    1980.25   127.635   1937.63   122.241   121.400 3.9252  120.099 3.8001  1.301193       5.463292 
1 1 1 2   -2  27 o 193.107 3.8674  5029.22   199.972   4984.43   285.667   5072.25   280.025   192.245 5.5477  193.969 5.3898  -1.724106      7.734834 
1 1 1 2   -2  28 o 66.972  2.0914  600.685   37.392    618.269   55.497    586.067   50.601    67.862  3.0532  66.081  2.8589  1.780998       4.182710 
1 1 1 2   -2  29 o 212.321 4.2756  6115.43   242.868   5863.94   346.618   6357.98   340.402   207.955 6.2229  216.688 5.8650  -8.732468      8.551194 
1 1 1 2   -2  30 o 27.369  2.2385  100.240   15.914    113.794   24.980    90.982    20.645    28.900  3.2854  25.838  3.0413  3.062145       4.476970 
1 1 1 2   -2  31 o 74.110  2.1980  733.589   43.446    805.844   65.193    675.864   58.271    77.363  3.1462  70.858  3.0702  6.504333       4.395977 
1 1 1 2   -2  32 o 57.480  2.0558  440.262   31.388    496.766   47.815    397.472   41.609    60.717  2.9401  54.244  2.8741  6.473202       4.111514 
1 1 1 2   -2  33 o 29.494  2.2114  119.972   16.782    113.215   26.277    124.626   21.808    28.707  3.4892  30.281  2.7178  -1.573574      4.422763 
1 1 1 2   -2  34 o 41.532  2.0893  232.818   22.787    245.198   35.570    224.202   29.675    42.422  3.1530  40.642  2.7421  1.780186       4.178563 
1 1 1 2   -2  35 o 63.915  2.2505  562.459   37.771    515.825   57.539    597.769   50.068    61.408  3.5128  66.421  2.8143  -5.012867      4.501072 
1 1 1 2   -2  36 o 28.032  2.3956  107.342   17.119    114.810   28.060    102.914   21.606    28.711  3.7373  27.353  2.9981  1.358278       4.791241 
1 1 1 2   -2  37 o 31.930  2.3519  139.451   19.308    147.947   31.361    134.264   24.503    32.609  3.6534  31.251  2.9627  1.357552       4.703704 
1 1 1 2   -2  38 o 19.216  7.0192  49.797    47.040    49.797    47.040    0.0000    0.0000    19.216  7.0192  ?       ?       ?              ?        
1 1 1 2   -2  39 o 22.188  2.9623  73.156    16.270    64.519    26.851    78.166    20.451    20.821  4.8968  23.554  3.3348  -2.732929      5.924525 
1 1 1 2   -2  40 o 37.005  2.4727  191.099   23.475    202.332   38.565    184.488   29.588    37.650  3.8798  36.360  3.0666  1.289108       4.945425 
1 1 1 2   -2  41 o 33.018  2.7313  160.979   22.269    145.924   37.014    169.520   27.879    31.307  4.5471  34.730  3.0272  -3.423117      5.462652 
1 1 1 2   -2  42 o 28.329  2.8940  118.645   20.076    121.068   34.565    117.411   24.663    28.061  4.7695  28.598  3.2791  -0.5362625     5.787956 
1 1 1 2   -2  43 o 8.0864  2.6211  -8.7208   12.686    -38.9162  25.809    0.8977    14.567    7.8387  3.8180  8.3341  3.5921  -0.4953847     5.242186 
1 1 1 2   -2  44 o 36.161  2.7065  179.919   24.606    249.833   43.674    147.404   29.784    40.716  4.0587  31.605  3.5815  9.111076       5.412983 
1 1 1 2   -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -2  46 o 9.3877  2.9605  -1.0542   15.252    -34.8601  31.430    9.3586    17.443    8.8585  4.2910  9.9169  4.0799  -1.058306      5.921017 
1 1 1 2   -1  0  o 128.104 5.4444  2200.82   186.810   2200.82   186.810   0.0000    0.0000    128.104 5.4444  ?       ?       ?              ?        
1 1 1 2   -1  1  o 242.662 7.1993  7905.31   467.930   7905.31   467.930   0.0000    0.0000    242.662 7.1993  ?       ?       ?              ?        
1 1 1 2   -1  2  o 264.642 6.1377  9401.71   410.027   9380.34   501.805   9444.63   711.246   264.345 7.0872  264.939 10.023  -0.5940857     12.27532 
1 1 1 2   -1  3  o 320.232 5.9344  13778.76  509.010   13875.20  720.506   13682.67  719.193   321.353 8.3708  319.111 8.4142  2.242706       11.86883 
1 1 1 2   -1  4  o 433.224 7.9620  25284.54  923.694   24656.56  1305.69   25913.69  1306.91   427.809 11.395  438.640 11.124  -10.83136      15.92403 
1 1 1 2   -1  5  o 319.012 5.8971  13671.76  503.870   13539.56  712.324   13804.14  712.834   317.464 8.3771  320.559 8.3022  -3.095734      11.79415 
1 1 1 2   -1  6  o 337.822 6.3006  15336.82  570.051   15079.45  805.812   15594.67  806.537   334.976 8.9811  340.669 8.8390  -5.692932      12.60114 
1 1 1 2   -1  7  o 65.874  1.8144  581.300   32.009    568.780   45.140    593.963   45.396    65.160  2.5863  66.587  2.5453  -1.427147      3.628731 
1 1 1 2   -1  8  o 350.240 6.5252  16481.82  612.130   16535.63  865.550   16427.98  865.814   350.814 9.2114  349.666 9.2445  1.147827       13.05031 
1 1 1 2   -1  9  o 121.802 2.5755  1987.97   84.006    1937.28   118.617   2038.98   118.988   120.243 3.6830  123.361 3.6011  -3.117264      5.150954 
1 1 1 2   -1  10 o 149.714 3.0424  3003.67   122.002   2996.59   172.373   3010.78   172.702   149.537 4.3036  149.891 4.3016  -0.3536377     6.084812 
1 1 1 2   -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -1  12 o 351.665 6.5877  16609.01  620.432   16285.69  876.986   16932.98  877.862   348.229 9.4024  355.100 9.2297  -6.870941      13.17542 
1 1 1 2   -1  13 o 74.013  1.9519  733.791   38.694    730.482   54.555    737.140   54.889    73.846  2.7582  74.181  2.7625  -0.3357544     3.903710 
1 1 1 2   -1  14 o 231.733 4.3951  7202.18   272.680   7448.07   385.599   6956.23   385.656   235.695 6.1080  227.771 6.3214  7.924118       8.790171 
1 1 1 2   -1  15 o 186.753 3.7329  4677.46   186.569   4898.12   263.812   4456.67   263.884   191.165 5.1523  182.340 5.4031  8.825150       7.465860 
1 1 1 2   -1  16 o 364.353 6.9070  17835.57  674.059   17718.57  952.920   17952.74  953.608   363.154 9.7966  365.553 9.7394  -2.398651      13.81409 
1 1 1 2   -1  17 o 608.024 11.235  50002.23  1829.68   49707.74  2587.04   50296.96  2588.06   606.216 15.933  609.831 15.844  -3.615601      22.46983 
1 1 1 2   -1  18 o 159.283 3.2218  3401.93   137.425   3474.19   194.152   3329.37   194.545   160.980 4.5028  157.585 4.6091  3.394867       6.443504 
1 1 1 2   -1  19 o 140.496 2.9625  2647.51   111.451   2718.20   157.437   2576.50   157.794   142.379 4.1283  138.613 4.2501  3.765793       5.925035 
1 1 1 2   -1  20 o 60.241  1.8647  486.358   30.084    487.469   42.296    485.221   42.800    60.311  2.6183  60.171  2.6556  0.1397858      3.729300 
1 1 1 2   -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -1  22 o 137.076 2.8765  2522.93   105.594   2459.37   148.991   2587.08   149.676   135.338 4.1101  138.814 4.0256  -3.476746      5.753098 
1 1 1 2   -1  23 o 171.925 3.5078  3975.48   161.532   3952.44   228.207   3998.61   228.675   171.424 4.9701  172.425 4.9514  -1.001190      7.015590 
1 1 1 2   -1  24 o 74.419  2.0240  743.603   40.293    783.772   56.844    703.036   57.125    76.444  2.7762  72.394  2.9460  4.050941       4.047980 
1 1 1 2   -1  25 o 107.083 2.5001  1539.59   71.700    1505.67   101.093   1573.92   101.707   105.894 3.5642  108.272 3.5071  -2.378059      5.000289 
1 1 1 2   -1  26 o 70.170  2.0330  660.615   38.208    662.828   53.754    658.355   54.317    70.290  2.8552  70.050  2.8949  0.2393036      4.066040 
1 1 1 2   -1  27 o 101.299 2.4801  1378.24   67.290    1368.38   94.978    1388.18   95.348    100.934 3.5131  101.663 3.5015  -0.7287521     4.960134 
1 1 1 2   -1  28 o 127.566 2.7989  2188.97   95.632    2201.44   135.105   2176.44   135.383   127.932 3.9428  127.199 3.9737  0.7327728      5.597827 
1 1 1 2   -1  29 o 101.899 2.4452  1397.15   66.696    1452.50   94.237    1341.60   94.409    103.931 3.3852  99.867  3.5294  4.064034       4.890432 
1 1 1 2   -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -1  31 o 135.301 2.9692  2473.64   107.505   2571.73   156.193   2385.34   148.193   137.835 4.2307  132.767 4.1673  5.067734       5.938437 
1 1 1 2   -1  32 o 73.692  2.1981  725.479   43.158    810.080   65.202    659.511   57.575    77.471  3.1422  69.913  3.0746  7.558022       4.396169 
1 1 1 2   -1  33 o 20.194  2.7308  59.789    13.757    46.627    21.991    68.253    17.634    18.118  4.5405  22.270  3.0353  -4.151991      5.461666 
1 1 1 2   -1  34 o 32.374  2.2124  142.483   18.535    147.956   29.629    138.963   23.759    32.819  3.4209  31.929  2.8066  0.8897972      4.424835 
1 1 1 2   -1  35 o 37.089  2.2064  186.190   21.244    198.222   34.170    178.609   27.124    37.989  3.3938  36.190  2.8205  1.799427       4.412834 
1 1 1 2   -1  36 o 23.125  2.7286  76.193    15.690    71.944    25.664    78.729    19.827    22.422  4.4303  23.827  3.1865  -1.405491      5.457273 
1 1 1 2   -1  37 o 12.471  2.9727  20.699    12.321    6.4125    21.137    28.052    15.163    10.913  4.4907  14.028  3.8964  -3.114701      5.945439 
1 1 1 2   -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   -1  39 o 35.707  2.4570  175.354   22.299    192.206   37.685    166.274   27.662    36.810  3.8806  34.603  3.0146  2.207310       4.913978 
1 1 1 2   -1  40 o 13.277  3.2822  21.790    13.587    32.113    24.320    17.105    16.382    14.969  5.0821  11.585  4.1548  3.384256       6.564307 
1 1 1 2   -1  41 o 47.813  2.4901  332.042   30.328    303.636   49.016    349.663   38.605    45.640  4.0517  49.985  2.8959  -4.344257      4.980195 
1 1 1 2   -1  42 o 20.144  3.2663  56.538    16.635    89.554    29.493    41.135    20.145    24.001  4.7559  16.288  4.4783  7.713200       6.532512 
1 1 1 2   -1  43 o 20.495  3.3094  78.890    19.392    23.534    33.793    106.071   23.680    14.000  5.7098  26.989  3.3475  -12.98932      6.618715 
1 1 1 2   -1  44 o 11.878  3.3041  16.711    15.952    -1.6729   28.595    25.018    19.221    10.795  4.8268  12.960  4.5135  -2.164983      6.608299 
1 1 1 2   -1  45 o 19.430  3.8990  59.159    19.534    87.442    37.366    48.523    22.914    21.773  6.1412  17.086  4.8056  4.687099       7.797913 
1 1 1 2   -1  46 o 14.027  3.5123  14.435    16.225    73.824    33.432    -3.8630   18.557    19.596  5.8917  8.4572  3.8255  11.13923       7.024688 
1 1 1 2   0   0  o 156.137 6.2774  3270.93   262.526   3270.93   262.526   0.0000    0.0000    156.137 6.2774  ?       ?       ?              ?        
1 1 1 2   0   1  o 191.348 4.5399  4878.46   219.886   4809.10   269.042   5018.00   381.596   189.372 5.3041  193.324 7.3693  -3.951340      9.079709 
1 1 1 2   0   2  o 587.108 10.947  46826.50  1712.17   41183.07  2417.06   52510.39  2425.71   551.104 16.374  623.112 14.534  -72.00793      21.89422 
1 1 1 2   0   3  o 390.851 7.2434  20559.01  758.237   20887.58  1072.53   20230.71  1072.09   393.988 10.163  387.714 10.324  6.273773       14.48689 
1 1 1 2   0   4  o 213.472 4.1429  6112.76   236.861   6203.90   334.990   6021.63   334.954   215.066 5.8153  211.878 5.9021  3.187653       8.285706 
1 1 1 2   0   5  o 252.946 4.7637  8586.26   322.706   8428.75   456.186   8744.03   456.565   250.620 6.7958  255.273 6.6774  -4.653030      9.527346 
1 1 1 2   0   6  o 139.623 2.8836  2612.59   107.840   2602.88   152.404   2622.34   152.613   139.363 4.0828  139.883 4.0732  -0.5202789     5.767209 
1 1 1 2   0   7  o 279.410 5.2720  10478.44  394.542   10386.88  557.762   10570.13  558.170   278.186 7.4856  280.634 7.4257  -2.448059      10.54392 
1 1 1 2   0   8  o 305.294 5.6675  12511.97  463.422   12371.58  655.125   12652.57  655.632   303.576 8.0569  307.012 7.9729  -3.435730      11.33494 
1 1 1 2   0   9  o 369.653 6.8408  18367.82  676.773   19225.33  957.603   17512.11  956.600   378.304 9.4505  361.002 9.8931  17.30197       13.68156 
1 1 1 2   0   10 o 562.937 14.689  43073.24  2211.85   40442.88  3122.89   45721.02  3133.21   545.447 21.375  580.426 20.154  -34.97888      29.37817 
1 1 1 2   0   11 o 395.639 9.0738  21162.48  904.138   20809.69  1566.68   21338.65  1107.10   392.797 14.891  398.481 10.373  -5.684113      18.14757 
1 1 1 2   0   12 o 232.052 4.4280  7222.82   275.048   6919.43   388.549   7527.55   389.405   227.160 6.3859  236.944 6.1358  -9.783356      8.855943 
1 1 1 2   0   13 o 394.028 7.3329  20860.01  773.903   20968.05  1094.38   20751.93  1094.54   395.052 10.343  393.004 10.398  2.048004       14.66576 
1 1 1 2   0   14 o 235.791 4.4779  7455.20   282.778   7573.93   399.849   7336.40   399.968   237.672 6.2810  233.911 6.3839  3.761139       8.955735 
1 1 1 2   0   15 o 447.242 8.3790  26928.09  1002.39   28567.12  1418.72   25294.28  1416.46   460.901 11.492  433.583 12.197  27.31763       16.75793 
1 1 1 2   0   16 o 505.250 9.3465  34405.29  1264.48   33407.24  1787.27   35405.53  1789.23   497.868 13.403  512.631 13.031  -14.76254      18.69306 
1 1 1 2   0   17 o 122.490 2.6394  2010.56   86.595    1999.85   122.234   2021.35   122.696   122.162 3.7356  122.817 3.7298  -0.6550903     5.278837 
1 1 1 2   0   18 o 162.663 3.3057  3548.20   144.023   3569.07   203.492   3527.26   203.868   163.143 4.6568  162.183 4.6931  0.9599609      6.611420 
1 1 1 2   0   19 o 169.129 3.4342  3838.38   155.569   3805.69   219.770   3871.20   220.247   168.406 4.8721  169.852 4.8412  -1.445526      6.868386 
1 1 1 2   0   20 o 44.698  1.7447  268.569   20.805    268.659   29.261    268.477   29.588    44.707  2.4530  44.689  2.4816  0.1723099E-01  3.489345 
1 1 1 2   0   21 o 95.485  3.1890  1301.56   73.457    1039.97   128.515   1428.50   89.523    87.767  5.4945  103.203 3.2386  -15.43616      6.377928 
1 1 1 2   0   22 o 186.309 3.6916  4670.88   184.119   4848.97   260.340   4492.68   260.427   189.879 5.1189  182.739 5.3207  7.140091       7.383244 
1 1 1 2   0   23 o 165.589 3.3775  3687.45   149.793   3727.60   211.664   3647.17   212.016   166.497 4.7463  164.682 4.8065  1.814545       6.754999 
1 1 1 2   0   24 o 187.567 3.7672  4737.73   189.263   4720.27   267.436   4755.24   267.881   187.220 5.3331  187.915 5.3222  -0.6943970     7.534434 
1 1 1 2   0   25 o 149.253 3.1431  2995.93   125.631   3057.60   177.492   2934.01   177.847   150.799 4.3943  147.707 4.4953  3.092728       6.286287 
1 1 1 2   0   26 o 93.292  2.2798  1168.19   56.958    1137.08   80.185    1199.87   80.922    92.037  3.2527  94.548  3.1954  -2.510933      4.559681 
1 1 1 2   0   27 o 162.450 3.3279  3554.54   144.768   3640.83   204.611   3468.05   204.854   164.436 4.6456  160.464 4.7663  3.971909       6.655758 
1 1 1 2   0   28 o 165.933 3.3908  3713.68   150.691   3767.05   213.020   3660.21   213.200   167.135 4.7584  164.730 4.8320  2.405029       6.781619 
1 1 1 2   0   29 o 109.976 2.5129  1628.82   73.961    1705.05   104.583   1552.54   104.609   112.565 3.4687  107.387 3.6369  5.177658       5.025831 
1 1 1 2   0   30 o 110.486 2.5713  1645.99   76.092    1636.45   107.511   1655.56   107.711   110.164 3.6435  110.809 3.6291  -0.6444168     5.142540 
1 1 1 2   0   31 o 78.283  2.1491  826.058   45.048    849.128   63.642    802.892   63.774    79.386  2.9930  77.180  3.0849  2.206116       4.298251 
1 1 1 2   0   32 o 66.766  2.0315  601.455   36.315    580.492   51.214    622.655   51.503    65.588  2.9152  67.943  2.8301  -2.354912      4.062975 
1 1 1 2   0   33 o 94.040  2.3692  1200.12   59.622    1262.00   84.500    1138.77   84.138    96.484  3.2697  91.596  3.4295  4.887352       4.738394 
1 1 1 2   0   34 o 42.353  1.9043  243.622   21.490    242.305   30.220    244.970   30.566    42.239  2.6851  42.468  2.7011  -0.2290878     3.808631 
1 1 1 2   0   35 f 83.362  2.4743  958.724   54.510    880.140   81.954    1021.07   72.998    80.111  3.8194  86.614  3.1466  -6.502922      4.948579 
1 1 1 2   0   36 o 18.547  3.0194  49.738    14.191    47.695    24.036    50.831    17.583    18.142  4.8520  18.953  3.5953  -0.8101845     6.038840 
1 1 1 2   0   37 o 38.017  3.7792  201.787   37.973    201.787   37.973    0.0000    0.0000    38.017  3.7792  ?       ?       ?              ?        
1 1 1 2   0   38 o 49.021  2.3456  333.829   29.835    331.402   47.656    335.394   38.262    48.678  3.6824  49.365  2.9065  -0.6875114     4.691233 
1 1 1 2   0   39 o 20.071  3.2831  59.566    16.551    61.145    28.761    58.784    20.237    20.025  5.2849  20.116  3.8968  -0.9055901E-01 6.566232 
1 1 1 2   0   40 o 9.3679  2.8421  2.6355    11.851    -5.6220   23.173    5.5605    13.792    9.7548  4.3545  8.9811  3.6535  0.7737074      5.684158 
1 1 1 2   0   41 o 10.309  3.0109  4.8784    12.354    16.941    23.347    0.1877    14.559    12.321  4.8393  8.2979  3.5838  4.022782       6.021847 
1 1 1 2   0   42 o 39.034  2.6305  217.640   26.062    242.486   44.284    204.475   32.236    40.296  4.1629  37.771  3.2170  2.525692       5.261056 
1 1 1 2   0   43 o 13.894  3.3241  30.334    16.244    1.6686    30.382    41.808    19.222    11.433  5.0511  16.354  4.3226  -4.921650      6.648205 
1 1 1 2   0   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   0   45 o 15.555  3.4170  44.203    17.626    11.509    33.642    56.574    20.694    12.309  5.3803  18.801  4.2136  -6.492272      6.833916 
1 1 1 2   1   0  o 319.926 5.9825  13753.31  512.636   13624.26  724.732   13882.53  725.223   318.419 8.4975  321.433 8.4235  -3.013214      11.96503 
1 1 1 2   1   1  o 342.875 6.3520  15803.47  583.357   15762.23  824.985   15844.71  824.997   342.426 8.9948  343.324 8.9714  -0.8981323     12.70402 
1 1 1 2   1   2  o 53.143  1.6772  378.331   23.874    375.057   33.764    381.603   33.760    52.913  2.3823  53.373  2.3615  -0.4598808     3.354475 
1 1 1 2   1   3  o 363.306 6.7600  17751.25  657.726   18100.61  930.378   17402.21  929.951   366.894 9.4674  359.718 9.6518  7.176239       13.51995 
1 1 1 2   1   4  o 406.416 7.5143  22232.08  817.885   22649.99  1156.98   21814.62  1156.35   410.253 10.529  402.580 10.724  7.672852       15.02857 
1 1 1 2   1   5  o 314.791 5.9081  13310.02  498.142   13384.14  704.519   13235.91  704.440   315.670 8.3324  313.912 8.3781  1.757935       11.81618 
1 1 1 2   1   6  o 74.051  1.9434  735.186   38.500    776.677   54.442    693.678   54.453    76.143  2.6694  71.958  2.8252  4.184616       3.886858 
1 1 1 2   1   7  o 173.400 3.4318  4030.34   159.387   4053.99   225.366   4006.68   225.449   173.909 4.8381  172.890 4.8684  1.018600       6.863606 
1 1 1 2   1   8  f 138.440 2.8491  2569.69   105.540   2432.96   149.081   2707.05   149.431   134.744 4.1307  142.135 3.9251  -7.391586      5.698174 
1 1 1 2   1   9  o 262.255 4.9725  9233.09   348.857   9773.15   493.712   8694.58   493.006   269.932 6.8286  254.578 7.2301  15.35391       9.945004 
1 1 1 2   1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   1   11 o 167.777 3.3491  3772.78   150.490   3834.81   212.762   3710.67   212.887   169.158 4.6958  166.396 4.7766  2.762726       6.698246 
1 1 1 2   1   12 o 82.109  2.0945  903.169   46.062    908.742   65.057    897.566   65.228    82.363  2.9490  81.855  2.9751  0.5082321      4.188972 
1 1 1 2   1   13 o 355.121 6.7168  16934.27  638.869   17101.44  903.552   16767.14  903.442   356.878 9.4525  353.363 9.5453  3.514526       13.43361 
1 1 1 2   1   14 o 129.485 2.8206  2246.92   97.801    2301.02   138.202   2192.65   138.421   131.048 3.9373  127.923 4.0398  3.124786       5.641147 
1 1 1 2   1   15 o 369.470 6.8632  18338.63  679.185   18228.79  960.239   18448.61  960.788   368.360 9.7324  370.580 9.6796  -2.220612      13.72637 
1 1 1 2   1   16 o 349.869 6.5213  16448.06  611.113   16543.53  864.159   16352.55  864.330   350.888 9.1947  348.850 9.2502  2.038177       13.04254 
1 1 1 2   1   17 o 165.758 3.3523  3684.14   148.815   3605.42   210.203   3763.23   210.710   163.981 4.7858  167.535 4.6956  -3.553940      6.704666 
1 1 1 2   1   18 o 197.984 3.9003  5261.69   206.792   5381.41   292.377   5141.84   292.520   200.243 5.4512  195.726 5.5798  4.517868       7.800654 
1 1 1 2   1   19 o 132.521 2.8372  2355.71   100.701   2318.20   142.178   2393.47   142.649   131.461 4.0378  133.581 3.9869  -2.119583      5.674434 
1 1 1 2   1   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   1   21 o 174.619 3.4649  4098.75   162.036   4172.33   229.089   4025.10   229.220   176.193 4.8543  173.045 4.9454  3.148117       6.929753 
1 1 1 2   1   22 o 108.400 2.4826  1576.98   72.081    1562.28   101.759   1591.78   102.118   107.893 3.5212  108.908 3.5007  -1.015388      4.965259 
1 1 1 2   1   23 o 154.294 3.2018  3200.58   132.309   3145.83   186.885   3255.59   187.343   152.967 4.5613  155.622 4.4945  -2.654419      6.403558 
1 1 1 2   1   24 o 139.938 2.9953  2632.14   112.257   2673.62   158.663   2590.57   158.847   141.046 4.1998  138.830 4.2718  2.216171       5.990503 
1 1 1 2   1   25 o 19.917  2.5982  56.472    13.141    35.565    18.564    77.469    18.604    15.988  4.2586  23.845  2.9778  -7.856248      5.196422 
1 1 1 2   1   26 o 92.226  2.3177  1141.97   57.251    1147.09   80.791    1136.81   81.141    92.435  3.2632  92.018  3.2921  0.4170990      4.635336 
1 1 1 2   1   27 o 78.898  2.1506  835.813   45.445    842.492   64.128    829.076   64.410    79.216  3.0223  78.580  3.0602  0.6357040      4.301101 
1 1 1 2   1   28 o 177.739 3.5754  4268.39   170.214   4278.62   240.532   4258.13   240.906   177.956 5.0463  177.523 5.0665  0.4329071      7.150802 
1 1 1 2   1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   1   30 o 135.182 2.9427  2473.41   106.472   2581.47   150.525   2365.22   150.623   138.168 4.0673  132.195 4.2539  5.973328       5.885498 
1 1 1 2   1   31 o 61.228  2.0183  505.805   33.049    535.882   46.627    475.437   46.851    63.071  2.7600  59.384  2.9455  3.687550       4.036585 
1 1 1 2   1   32 o 47.974  1.9290  312.053   24.625    335.320   34.751    288.589   34.898    49.800  2.6144  46.149  2.8370  3.650833       3.858003 
1 1 1 2   1   33 o 68.475  2.0705  634.846   37.969    644.440   53.536    625.135   53.857    69.003  2.8966  67.947  2.9593  1.056984       4.140957 
1 1 1 2   1   34 o 45.440  1.9380  281.027   23.430    299.939   33.066    261.958   33.204    47.007  2.6369  43.872  2.8409  3.134823       3.876053 
1 1 1 2   1   35 o 21.170  2.4704  63.350    13.400    72.494    18.729    53.760    19.180    22.867  3.1409  19.473  3.8139  3.394007       4.940708 
1 1 1 2   1   36 o 37.916  1.9992  197.045   20.090    178.763   28.281    215.671   28.545    36.093  2.9512  39.740  2.6977  -3.647106      3.998391 
1 1 1 2   1   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   1   38 o 33.434  2.9554  158.892   22.794    161.816   43.825    157.808   26.688    33.133  5.1019  33.734  2.9845  -0.6008759     5.910755 
1 1 1 2   1   39 o 13.206  3.1512  24.395    14.459    0.6519    25.811    35.253    17.455    10.970  4.7547  15.442  4.1368  -4.472890      6.302416 
1 1 1 2   1   40 o 19.225  3.2259  54.404    15.601    62.393    27.348    50.549    18.996    20.007  5.0907  18.442  3.9636  1.565439       6.451742 
1 1 1 2   1   41 o 20.923  3.3476  68.067    17.607    67.705    30.185    68.254    21.677    20.451  5.4222  21.395  3.9275  -0.9434662     6.695184 
1 1 1 2   1   42 o 23.469  3.3718  83.761    19.324    94.678    34.387    78.722    23.362    24.046  5.4633  22.892  3.9531  1.153616       6.743515 
1 1 1 2   1   43 o 20.592  3.4886  75.755    19.010    45.890    33.972    89.370    22.938    16.624  5.9808  24.560  3.5931  -7.936321      6.977148 
1 1 1 2   1   44 o 28.187  3.2822  115.714   22.614    164.193   41.055    94.598    27.095    31.772  4.9885  24.601  4.2667  7.171581       6.564300 
1 1 1 2   1   45 o 22.243  3.7149  85.225    19.948    90.827    38.738    83.204    23.270    21.458  6.3161  23.029  3.9126  -1.571115      7.429751 
1 1 1 2   2   0  o 181.824 3.5850  4432.76   174.593   4418.62   246.798   4446.93   247.025   181.534 5.0757  182.115 5.0641  -0.5811310     7.169950 
1 1 1 2   2   1  o 381.982 7.0576  19632.04  721.916   20134.26  1021.34   19130.60  1020.55   386.887 9.8559  377.078 10.104  9.808411       14.11522 
1 1 1 2   2   2  o 147.706 3.0012  2924.20   118.732   2949.68   168.040   2898.79   167.785   148.349 4.2290  147.063 4.2595  1.286255       6.002337 
1 1 1 2   2   3  o 26.521  1.5021  95.185    10.510    107.302   14.882    83.128    14.846    28.234  1.9804  24.809  2.2589  3.425283       3.004152 
1 1 1 2   2   4  o 359.821 6.6881  17404.27  644.570   17529.23  911.669   17279.38  911.451   361.117 9.4254  358.525 9.4913  2.592133       13.37622 
1 1 1 2   2   5  o 251.273 4.7577  8470.97   320.207   8447.37   452.759   8494.58   452.922   250.923 6.7366  251.624 6.7202  -0.7012024     9.515378 
1 1 1 2   2   6  o 153.198 3.1160  3145.44   127.860   3125.65   180.783   3165.26   180.861   152.715 4.4196  153.680 4.3938  -0.9653931     6.232045 
1 1 1 2   2   7  o 482.031 8.8757  31291.36  1145.84   31798.92  1620.83   30784.25  1620.09   485.960 12.452  478.102 12.651  7.857666       17.75134 
1 1 1 2   2   8  o 288.557 5.4053  11172.94  417.759   11076.44  590.685   11269.52  590.916   287.308 7.6757  289.806 7.6125  -2.497925      10.81053 
1 1 1 2   2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   2   10 o 712.348 13.129  68693.57  2504.63   70139.15  3543.14   67249.73  3541.01   719.917 18.375  704.778 18.758  15.13904       26.25808 
1 1 1 2   2   11 o 170.886 3.4173  3915.94   156.255   3705.16   220.709   4127.75   221.248   166.270 4.9558  175.503 4.7066  -9.232468      6.834652 
1 1 1 2   2   12 f 236.368 4.5128  7491.24   285.708   7489.49   403.946   7493.00   404.159   236.341 6.3811  236.396 6.3830  -0.5520630E-01 9.025557 
1 1 1 2   2   13 o 433.944 8.0447  25315.11  935.032   25490.40  1322.38   25139.83  1322.30   435.452 11.338  432.436 11.416  3.016052       16.08948 
1 1 1 2   2   14 o 420.760 7.7994  23806.36  878.654   24581.67  1243.07   23032.20  1242.14   427.634 10.853  413.886 11.205  13.74738       15.59888 
1 1 1 2   2   15 o 494.208 9.2049  32911.32  1218.44   32616.64  1722.78   33206.27  1723.51   491.981 13.073  496.434 12.962  -4.453003      18.40984 
1 1 1 2   2   16 o 70.977  3.9656  681.330   74.446    609.158   104.933   754.471   105.636   67.133  5.8954  74.822  5.3054  -7.689171      7.931153 
1 1 1 2   2   17 o 38.065  1.7028  194.950   17.267    198.223   24.265    191.592   24.575    38.392  2.3713  37.737  2.4445  0.6550407      3.405634 
1 1 1 2   2   18 o 70.907  1.9772  673.853   37.549    680.466   52.939    667.157   53.266    71.257  2.7737  70.556  2.8185  0.7010574      3.954439 
1 1 1 2   2   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   2   20 o 224.305 4.3202  6773.64   259.543   6696.29   366.768   6851.22   367.332   223.017 6.1400  225.594 6.0791  -2.576996      8.640319 
1 1 1 2   2   21 o 58.954  1.8951  465.954   29.921    455.544   42.100    476.579   42.533    58.288  2.6966  59.620  2.6635  -1.331394      3.790217 
1 1 1 2   2   22 o 258.631 4.9359  9036.05   341.926   9097.62   483.401   8974.40   483.711   259.521 6.9542  257.741 7.0067  1.780090       9.871892 
1 1 1 2   2   23 o 80.696  2.1719  873.848   46.933    893.563   66.251    853.987   66.497    81.612  3.0307  79.780  3.1119  1.831573       4.343852 
1 1 1 2   2   24 o 237.979 4.6494  7654.37   296.095   7268.38   418.212   8042.32   419.273   231.910 6.7327  244.047 6.4141  -12.13660      9.298885 
1 1 1 2   2   25 o 125.645 2.7667  2121.19   93.109    2110.03   131.420   2132.44   131.934   125.312 3.9154  125.977 3.9100  -0.6641617     5.533422 
1 1 1 2   2   26 o 61.363  1.9994  506.019   32.802    538.843   46.253    472.808   46.525    63.372  2.7249  59.354  2.9265  4.018440       3.998719 
1 1 1 2   2   27 o 125.098 2.7793  2105.84   93.125    2114.05   131.572   2097.61   131.827   125.344 3.9190  124.852 3.9420  0.4917831      5.558558 
1 1 1 2   2   28 f 134.407 4.1506  2451.40   149.223   2429.29   205.386   2476.12   217.174   133.808 5.7306  135.006 6.0057  -1.197708      8.301109 
1 1 1 2   2   29 o 51.557  1.9719  358.542   27.121    363.495   38.069    353.437   38.647    51.925  2.7469  51.189  2.8297  0.7358589      3.943718 
1 1 1 2   2   30 o 115.771 2.6595  1812.16   82.467    1808.58   116.479   1815.75   116.775   115.657 3.7600  115.885 3.7621  -0.2282639     5.318936 
1 1 1 2   2   31 o 110.882 2.5577  1665.73   75.962    1658.24   107.200   1673.29   107.654   110.631 3.6177  111.132 3.6166  -0.5011444     5.115397 
1 1 1 2   2   32 o 55.175  1.9683  412.261   28.986    437.660   40.971    386.806   41.015    56.933  2.6867  53.416  2.8773  3.516884       3.936650 
1 1 1 2   2   33 o 59.424  2.0266  479.993   32.098    518.395   45.196    440.915   45.593    61.899  2.7260  56.949  2.9995  4.949646       4.053215 
1 1 1 2   2   34 o 72.147  2.1197  707.237   40.929    670.491   57.551    744.842   58.220    70.229  3.0595  74.064  2.9348  -3.835487      4.239487 
1 1 1 2   2   35 o 66.912  2.1133  609.785   37.875    607.831   53.482    611.751   53.645    66.804  2.9889  67.019  2.9884  -0.2152557     4.226615 
1 1 1 2   2   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   2   37 o 15.633  2.6535  35.802    12.196    58.394    16.963    11.624    17.548    20.359  3.2176  10.907  4.2202  9.451621       5.306909 
1 1 1 2   2   38 o 13.366  2.5696  23.357    11.319    45.883    15.993    0.7536    16.021    17.865  3.4673  8.8671  3.7934  8.997854       5.139278 
1 1 1 2   2   39 o 8.8919  2.6144  3.8260    10.293    5.5357    14.091    1.8701    15.071    9.0548  3.6893  8.7289  3.7052  0.3259735      5.228744 
1 1 1 2   2   40 o 20.963  2.6174  64.486    14.062    52.121    19.449    78.031    20.355    18.660  4.0106  23.265  3.3642  -4.604607      5.234736 
1 1 1 2   2   41 o 39.185  2.6287  221.463   26.061    233.058   43.974    215.186   32.355    39.515  4.2201  38.856  3.1355  0.6587410      5.257449 
1 1 1 2   2   42 o 12.301  3.1731  19.907    15.161    -7.9923   27.516    32.070    18.168    10.179  4.6258  14.423  4.3448  -4.243593      6.346267 
1 1 1 2   2   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   2   44 o 33.565  3.3322  184.904   26.444    168.878   46.044    192.792   32.303    31.095  5.7398  36.035  3.3866  -4.940134      6.664355 
1 1 1 2   3   0  o 185.085 3.6319  4593.30   180.033   4519.50   254.415   4667.33   254.796   183.594 5.1736  186.576 5.0986  -2.981720      7.263745 
1 1 1 2   3   1  o 451.667 8.3185  27485.99  1006.34   27684.96  1423.34   27287.11  1423.01   453.311 11.723  450.023 11.805  3.287903       16.63693 
1 1 1 2   3   2  o 289.151 5.4021  11225.01  418.381   11295.87  591.794   11154.21  591.567   290.066 7.6170  288.237 7.6624  1.828888       10.80423 
1 1 1 2   3   3  f 538.035 9.9137  39091.35  1427.96   37654.48  2018.44   40531.09  2020.46   528.057 14.271  548.013 13.765  -19.95660      19.82732 
1 1 1 2   3   4  o 229.972 4.3745  7093.59   269.446   7169.15   381.091   7018.06   381.019   231.198 6.1540  228.745 6.2188  2.452805       8.748970 
1 1 1 2   3   5  o 227.830 4.3404  6961.90   264.818   7116.67   374.649   6807.36   374.369   230.364 6.0719  225.295 6.2038  5.068466       8.680706 
1 1 1 2   3   6  o 99.707  2.2856  1331.95   61.037    1346.77   86.304    1317.11   86.335    100.263 3.2137  99.152  3.2509  1.110588       4.571200 
1 1 1 2   3   7  o 345.509 6.4063  16030.88  592.843   15874.22  838.235   16187.66  838.578   343.816 9.1023  347.203 9.0172  -3.386597      12.81255 
1 1 1 2   3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   3   9  o 571.139 10.515  43985.03  1608.58   43832.78  2274.71   44137.32  2275.06   570.144 14.895  572.134 14.846  -1.990173      21.03029 
1 1 1 2   3   10 o 340.699 6.3277  15582.53  577.439   15635.81  816.599   15529.24  816.645   341.283 8.9332  340.115 8.9643  1.167938       12.65548 
1 1 1 2   3   11 o 448.227 8.2885  27014.55  995.032   26667.04  1406.83   27362.41  1407.54   445.331 11.794  451.122 11.649  -5.791168      16.57700 
1 1 1 2   3   12 o 157.684 3.1987  3331.88   135.097   3334.15   191.003   3329.61   191.108   157.737 4.5208  157.630 4.5264  0.1075592      6.397336 
1 1 1 2   3   13 o 201.468 3.9545  5441.11   213.394   5436.92   301.703   5445.30   301.867   201.391 5.5931  201.546 5.5918  -0.1550751     7.908909 
1 1 1 2   3   14 o 260.077 4.9393  9075.75   343.965   9348.07   486.598   8803.78   486.281   263.983 6.8819  256.170 7.0871  7.813110       9.878628 
1 1 1 2   3   15 o 364.726 6.7947  17884.98  663.774   17999.21  938.701   17770.73  938.735   365.895 9.5781  363.556 9.6401  2.338928       13.58944 
1 1 1 2   3   16 o 28.966  4.7152  117.189   35.829    118.933   50.490    115.420   50.852    29.187  6.6118  28.746  6.7243  0.4408360      9.430343 
1 1 1 2   3   17 o 202.887 3.9523  5526.39   214.778   5505.67   303.596   5547.15   303.888   202.505 5.5972  203.268 5.5815  -0.7629395     7.904564 
1 1 1 2   3   18 o 176.798 3.5622  4197.48   168.686   4161.34   238.342   4233.76   238.776   176.034 5.0549  177.563 5.0205  -1.528381      7.124460 
1 1 1 2   3   19 o 80.187  2.9597  861.340   63.146    980.319   92.121    755.885   86.728    85.465  4.0242  74.909  4.3411  10.55601       5.919380 
1 1 1 2   3   20 o 64.548  1.9214  558.608   33.217    558.085   46.765    559.141   47.189    64.517  2.7062  64.578  2.7282  -0.6042480E-01 3.842716 
1 1 1 2   3   21 o 59.285  1.8907  471.727   29.987    496.335   42.297    446.859   42.519    60.843  2.5954  57.727  2.7499  3.116165       3.781339 
1 1 1 2   3   22 o 95.144  2.3173  1214.73   59.049    1192.79   83.297    1236.90   83.722    94.279  3.2985  96.009  3.2557  -1.729958      4.634626 
1 1 1 2   3   23 o 125.290 2.7941  2108.69   93.767    2107.36   132.423   2110.02   132.791   125.251 3.9472  125.329 3.9557  -0.7816315E-01 5.588248 
1 1 1 2   3   24 o 92.171  2.3031  1140.24   56.847    1108.88   80.108    1172.06   80.684    90.892  3.2905  93.450  3.2234  -2.557899      4.606263 
1 1 1 2   3   25 f 51.924  1.8937  362.613   26.246    358.339   36.956    366.963   37.281    51.614  2.6824  52.234  2.6736  -0.6197586     3.787325 
1 1 1 2   3   26 o 100.456 2.4141  1355.93   64.954    1367.45   91.753    1344.35   91.964    100.885 3.3955  100.026 3.4325  0.8590927      4.828224 
1 1 1 2   3   27 o 169.061 3.4614  3861.34   156.688   3740.03   221.301   3983.29   221.879   166.377 4.9660  171.745 4.8233  -5.368256      6.922777 
1 1 1 2   3   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   3   29 o 45.846  1.9557  283.793   23.894    273.582   33.632    294.199   33.953    45.005  2.8040  46.686  2.7270  -1.681377      3.911377 
1 1 1 2   3   30 o 79.964  2.1448  862.576   45.937    860.534   64.753    864.646   65.180    79.870  3.0268  80.058  3.0396  -0.1881409     4.289621 
1 1 1 2   3   31 o 38.994  1.9048  206.163   19.766    210.796   27.844    201.457   28.063    39.445  2.6508  38.542  2.7362  0.9023476      3.809661 
1 1 1 2   3   32 o 33.496  1.9822  152.773   17.620    150.191   24.800    155.406   25.037    33.206  2.8148  33.786  2.7917  -0.5797691     3.964459 
1 1 1 2   3   33 o 42.780  1.9432  248.881   22.140    250.428   30.973    247.264   31.659    42.926  2.7078  42.634  2.7878  0.2918854      3.886356 
1 1 1 2   3   34 o 51.425  1.9940  360.480   27.329    375.510   38.391    345.038   38.913    52.541  2.7374  50.310  2.9000  2.230762       3.987899 
1 1 1 2   3   35 o 79.654  2.2747  868.106   48.528    871.387   68.368    864.774   68.894    79.815  3.1980  79.492  3.2357  0.3231201      4.549362 
1 1 1 2   3   36 o 24.235  2.3337  82.810    14.587    94.038    20.420    71.109    20.845    26.047  2.9806  22.424  3.5919  3.622887       4.667450 
1 1 1 2   3   37 o 13.868  2.9314  27.609    11.749    25.534    16.661    29.662    16.572    13.423  4.1832  14.314  4.1077  -0.8916235     5.862744 
1 1 1 2   3   38 o 16.398  2.8681  39.808    12.626    46.720    17.822    32.843    17.889    17.870  3.8379  14.925  4.2630  2.944834       5.736135 
1 1 1 2   3   39 o 23.888  2.5196  82.770    15.533    91.147    21.787    74.111    22.152    25.264  3.2984  22.512  3.8097  2.752121       5.039210 
1 1 1 2   3   40 o 24.947  2.5101  91.117    16.154    98.585    22.230    82.761    23.515    26.216  3.2344  23.677  3.8395  2.539503       5.020244 
1 1 1 2   3   41 f 17.198  2.9580  45.859    13.720    56.755    19.192    34.470    19.622    19.461  3.8183  14.936  4.5189  4.525191       5.916058 
1 1 1 2   3   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   3   43 o 14.517  3.7884  33.184    18.225    23.588    39.155    35.837    20.591    14.119  5.9815  14.914  4.6509  -0.7951555     7.576879 
1 1 1 2   3   44 o 17.427  3.5705  58.032    18.745    31.602    35.396    68.333    22.097    14.186  5.8213  20.668  4.1361  -6.481612      7.141042 
1 1 1 2   4   0  o 218.591 4.1941  6408.57   245.562   6408.76   347.122   6408.39   347.432   218.594 5.9286  218.588 5.9341  0.6546021E-02  8.388231 
1 1 1 2   4   1  o 190.161 3.7110  4848.30   189.014   4869.06   267.311   4827.54   267.302   190.568 5.2369  189.753 5.2592  0.8151245      7.421933 
1 1 1 2   4   2  o 209.413 4.0255  5880.81   225.780   5802.33   319.267   5959.32   319.335   208.013 5.7303  210.812 5.6554  -2.798782      8.051037 
1 1 1 2   4   3  o 251.037 4.7282  8454.09   317.927   8443.76   449.720   8464.42   449.512   250.883 6.6924  251.191 6.6811  -0.3074341     9.456496 
1 1 1 2   4   4  o 147.845 3.0495  2929.68   120.732   3008.05   170.879   2851.56   170.602   149.821 4.2582  145.869 4.3665  3.951645       6.099061 
1 1 1 2   4   5  o 79.106  2.0278  838.497   42.949    810.499   60.703    866.561   60.774    77.783  2.9136  80.429  2.8211  -2.645851      4.055599 
1 1 1 2   4   6  o 307.562 5.7595  12695.58  474.470   12727.25  671.025   12663.91  670.979   307.946 8.1353  307.177 8.1551  0.7687988      11.51910 
1 1 1 2   4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   4   8  o 602.706 11.077  49015.12  1788.19   48635.27  2528.53   49395.18  2529.24   600.353 15.724  605.059 15.606  -4.705933      22.15430 
1 1 1 2   4   9  f 722.932 13.263  70721.77  2568.18   70836.27  3631.87   70607.25  3632.04   723.524 18.741  722.341 18.772  1.183044       26.52585 
1 1 1 2   4   10 o 740.541 13.602  74226.98  2697.95   73742.35  3815.01   74711.85  3815.94   738.098 19.297  742.984 19.175  -4.885864      27.20397 
1 1 1 2   4   11 o 432.007 7.9756  25115.73  921.027   26983.94  1303.91   23255.41  1301.15   448.116 10.863  415.897 11.680  32.21906       15.95128 
1 1 1 2   4   12 o 373.872 6.9719  18780.75  697.791   18050.63  986.116   19512.98  987.535   366.571 10.043  381.173 9.6726  -14.60141      13.94376 
1 1 1 2   4   13 o 591.911 10.977  47304.20  1740.18   48019.21  2461.51   46589.80  2460.46   596.418 15.409  587.404 15.638  9.013855       21.95408 
1 1 1 2   4   14 o 286.001 5.4619  10983.66  418.242   11345.43  591.699   10622.43  591.268   290.720 7.5987  281.282 7.8479  9.437531       10.92380 
1 1 1 2   4   15 o 105.001 2.4258  1478.36   68.162    1551.76   96.409    1405.00   96.382    107.610 3.3448  102.391 3.5143  5.218285       4.851638 
1 1 1 2   4   16 o 300.152 5.7063  12124.37  458.716   11928.84  648.465   12320.21  648.980   297.719 8.1319  302.586 8.0074  -4.866913      11.41257 
1 1 1 2   4   17 o 299.127 5.6592  12060.29  453.401   12182.09  641.200   11938.50  641.212   300.647 7.9625  297.607 8.0440  3.040344       11.31840 
1 1 1 2   4   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   4   19 o 100.042 2.3616  1343.04   63.249    1390.60   89.402    1295.38   89.494    101.819 3.2781  98.265  3.4002  3.553513       4.723110 
1 1 1 2   4   20 f 107.751 2.4457  1558.01   70.574    1521.79   99.574    1594.57   100.041   106.491 3.4910  109.012 3.4262  -2.520859      4.891410 
1 1 1 2   4   21 o 110.790 2.4714  1647.41   73.332    1618.53   103.433   1676.59   103.983   109.812 3.5166  111.767 3.4735  -1.955124      4.942792 
1 1 1 2   4   22 o 239.858 4.6907  7769.72   301.331   7649.12   425.816   7890.70   426.477   237.980 6.6803  241.737 6.5866  -3.757065      9.381349 
1 1 1 2   4   23 o 70.359  2.0510  665.196   38.554    719.767   54.527    610.643   54.518    73.254  2.7790  67.464  3.0171  5.790398       4.101914 
1 1 1 2   4   24 o 27.559  2.0700  103.157   15.027    106.619   21.027    99.542    21.483    28.048  2.8380  27.069  3.0142  0.9785175      4.140014 
1 1 1 2   4   25 o 82.117  2.1702  905.219   47.725    882.669   67.192    928.179   67.799    81.083  3.0939  83.150  3.0442  -2.067337      4.340379 
1 1 1 2   4   26 o 153.743 3.2272  3187.84   132.854   3280.31   187.844   3095.29   187.923   155.990 4.4959  151.497 4.6312  4.493500       6.454474 
1 1 1 2   4   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   4   28 o 71.248  2.1130  683.420   40.307    702.799   56.821    663.791   57.187    72.271  2.9353  70.225  3.0403  2.046303       4.226035 
1 1 1 2   4   29 o 50.787  1.9303  348.269   26.159    348.971   36.802    347.552   37.192    50.842  2.7123  50.733  2.7472  0.1090050      3.860505 
1 1 1 2   4   30 o 71.577  2.1025  691.749   40.308    685.543   56.774    698.057   57.237    71.253  2.9748  71.901  2.9720  -0.6479416     4.205023 
1 1 1 2   4   31 o 39.859  1.9286  215.531   20.458    207.405   28.687    223.941   29.182    39.085  2.7580  40.632  2.6967  -1.547249      3.857264 
1 1 1 2   4   32 o 28.851  2.0730  114.571   15.685    125.694   21.849    102.742   22.530    30.363  2.7152  27.340  3.1332  3.022535       4.145997 
1 1 1 2   4   33 o 47.827  1.9797  311.226   25.249    308.545   35.516    313.965   35.903    47.619  2.7968  48.035  2.8027  -0.4161720     3.959447 
1 1 1 2   4   34 o 59.168  2.0485  477.444   32.362    503.517   45.681    451.175   45.852    60.859  2.8024  57.477  2.9887  3.381916       4.096997 
1 1 1 2   4   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   4   36 o 17.504  2.6908  44.651    12.333    55.546    17.397    33.645    17.486    19.786  3.4056  15.222  4.1670  4.563376       5.381585 
1 1 1 2   4   37 o 21.733  2.5138  67.532    14.125    67.219    19.788    67.857    20.168    21.691  3.5272  21.775  3.5826  -0.8421135E-01 5.027542 
1 1 1 2   4   38 o 28.357  2.2999  114.221   17.050    125.718   24.023    102.552   24.203    29.910  3.0410  26.804  3.4513  3.105942       4.599885 
1 1 1 2   4   39 o 20.355  2.6861  61.146    14.105    61.612    19.863    60.672    20.034    20.451  3.7648  20.259  3.8324  0.1920261      5.372238 
1 1 1 2   4   40 o 14.433  2.9949  31.005    12.666    41.569    18.444    21.576    17.425    16.495  4.1719  12.372  4.2981  4.123144       5.989850 
1 1 1 2   4   41 o 15.561  3.1201  37.785    13.889    46.060    19.276    28.849    20.031    17.291  4.2030  13.831  4.6125  3.460084       6.240172 
1 1 1 2   4   42 o 14.418  3.1983  32.096    14.178    22.010    19.855    42.590    20.253    12.470  4.5595  16.365  4.4865  -3.894752      6.396684 
1 1 1 2   4   43 o 16.425  3.1408  43.305    14.857    26.812    20.401    61.929    21.679    13.124  4.6439  19.726  4.2301  -6.601717      6.281689 
1 1 1 2   5   0  o 169.601 3.3734  3856.43   153.201   3959.56   216.568   3753.12   216.749   171.874 4.7043  167.329 4.8361  4.544617       6.746746 
1 1 1 2   5   1  o 179.174 3.5501  4303.48   170.377   4307.36   240.911   4299.60   240.988   179.255 5.0176  179.094 5.0237  0.1617126      7.100298 
1 1 1 2   5   2  f 194.349 3.7921  5066.30   197.232   5314.10   279.175   4819.37   278.682   199.101 5.2350  189.597 5.4877  9.503525       7.584176 
1 1 1 2   5   3  o 218.269 4.2104  6388.13   246.147   6428.00   348.225   6348.32   347.985   218.950 5.9378  217.588 5.9709  1.362671       8.420724 
1 1 1 2   5   4  o 171.433 3.4026  3939.65   156.184   4066.43   221.130   3813.45   220.627   174.187 4.7396  168.678 4.8833  5.508987       6.805147 
1 1 1 2   5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   5   6  o 839.502 22.185  97356.22  4980.07   103884.50 7051.63   90860.20  7034.17   868.431 30.316  810.572 32.399  57.85876       44.37036 
1 1 1 2   5   7  o 516.852 9.5005  35971.17  1315.22   35803.99  1859.82   36138.41  1860.18   515.644 13.466  518.060 13.406  -2.415161      19.00099 
1 1 1 2   5   8  o 302.515 5.6554  12279.58  458.212   12101.35  647.836   12458.00  648.182   300.314 8.0538  304.716 7.9417  -4.401306      11.31080 
1 1 1 2   5   9  o 156.032 3.1806  3262.39   132.927   3268.66   187.941   3256.10   188.033   156.182 4.4926  155.881 4.5035  0.3006134      6.361231 
1 1 1 2   5   10 o 280.030 5.2831  10518.61  396.260   10520.47  560.352   10516.75  560.440   280.055 7.4701  280.005 7.4726  0.4974365E-01  10.56614 
1 1 1 2   5   11 o 480.874 8.8755  31115.69  1143.10   30710.31  1616.21   31521.44  1616.97   477.725 12.631  484.022 12.472  -6.296448      17.75097 
1 1 1 2   5   12 f 274.420 5.2204  10104.61  383.657   10307.10  542.680   9902.27   542.466   277.174 7.3098  271.666 7.4550  5.507477       10.44077 
1 1 1 2   5   13 o 171.016 3.4414  3920.63   157.630   3868.50   222.772   3972.89   223.073   169.877 4.8960  172.156 4.8377  -2.278839      6.882841 
1 1 1 2   5   14 o 308.291 5.7633  12773.70  475.867   12972.52  673.013   12574.92  672.942   310.699 8.0871  305.884 8.2136  4.814880       11.52669 
1 1 1 2   5   15 o 221.705 4.2664  6600.04   253.350   6641.75   358.191   6558.27   358.392   222.408 6.0128  221.002 6.0544  1.406097       8.532848 
1 1 1 2   5   16 o 194.453 3.8349  5078.35   199.729   5032.06   282.280   5124.76   282.640   193.564 5.4446  195.343 5.4019  -1.779236      7.669706 
1 1 1 2   5   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   5   18 o 158.339 3.2545  3368.38   137.977   3257.96   194.842   3479.45   195.419   155.728 4.6712  160.949 4.5330  -5.221237      6.509085 
1 1 1 2   5   19 f 174.277 3.5431  4083.96   165.387   4048.40   233.665   4119.65   234.120   173.514 5.0277  175.040 4.9936  -1.525116      7.086168 
1 1 1 2   5   20 o 120.563 2.6610  1951.53   85.913    1901.69   121.211   2001.85   121.791   119.012 3.8024  122.113 3.7236  -3.100502      5.321997 
1 1 1 2   5   21 o 157.109 3.2913  3319.58   138.471   3398.97   195.676   3239.95   195.980   158.999 4.5947  155.219 4.7139  3.779800       6.582666 
1 1 1 2   5   22 o 60.119  2.0434  485.906   32.799    514.250   46.336    457.442   46.434    61.920  2.7938  58.317  2.9827  3.602287       4.086806 
1 1 1 2   5   23 o 91.959  2.3236  1135.11   57.231    1136.45   80.777    1133.76   81.098    92.014  3.2775  91.904  3.2945  0.1098480      4.647135 
1 1 1 2   5   24 o 240.548 4.6576  7832.50   300.050   7981.76   424.242   7683.12   424.427   242.866 6.5217  238.230 6.6515  4.636246       9.315274 
1 1 1 2   5   25 o 95.075  2.3264  1214.62   59.224    1175.31   83.501    1254.42   84.012    93.523  3.3334  96.627  3.2461  -3.104248      4.652774 
1 1 1 2   5   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   5   27 o 77.737  2.1652  813.239   45.075    828.195   63.634    798.179   63.857    78.458  3.0280  77.015  3.0956  1.442856       4.330326 
1 1 1 2   5   28 o 31.622  1.9711  136.183   16.420    151.675   23.146    120.487   23.299    33.479  2.6016  29.764  2.9618  3.715155       3.942124 
1 1 1 2   5   29 o 43.031  1.9159  250.457   21.967    245.653   30.841    255.403   31.297    42.609  2.7165  43.452  2.7024  -0.8429031     3.831768 
1 1 1 2   5   30 o 44.355  1.9353  266.810   22.856    279.652   32.253    253.856   32.394    45.446  2.6613  43.264  2.8107  2.182117       3.870701 
1 1 1 2   5   31 o 59.716  2.0150  482.909   32.207    503.072   45.493    462.648   45.602    60.980  2.7852  58.452  2.9128  2.528862       4.030101 
1 1 1 2   5   32 o 43.532  1.9755  258.195   22.867    275.030   32.246    241.162   32.433    44.993  2.6880  42.072  2.8958  2.920925       3.951044 
1 1 1 2   5   33 o 20.977  2.3796  61.621    12.888    66.742    18.246    56.523    18.206    21.906  3.2044  20.048  3.5189  1.858200       4.759293 
1 1 1 2   5   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   5   35 o 27.763  2.2174  107.091   16.177    100.312   22.640    114.163   23.122    26.830  3.2144  28.696  3.0553  -1.865919      4.434805 
1 1 1 2   5   36 f 26.461  2.3587  98.686    16.296    91.988    23.201    105.207   22.895    25.503  3.4879  27.419  3.1763  -1.915512      4.717400 
1 1 1 2   5   37 o 24.701  2.4278  87.160    15.494    99.424    22.039    75.177    21.787    26.561  3.1599  22.841  3.6866  3.719353       4.855516 
1 1 1 2   5   38 o 9.8956  2.6210  5.6839    10.554    -8.3057   14.233    22.774    15.731    7.1870  3.2893  12.604  4.0816  -5.417141      5.242085 
1 1 1 2   5   39 o 24.681  2.5589  90.337    16.049    103.964   21.953    74.692    23.523    27.013  3.0897  22.349  4.0799  4.664082       5.117803 
1 1 1 2   5   40 o 11.761  2.9553  17.105    12.391    5.9453    17.302    28.858    17.755    9.7011  4.0337  13.821  4.3202  -4.119884      5.910588 
1 1 1 2   5   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   5   42 o 18.955  3.0742  58.432    15.407    69.497    20.868    45.170    22.845    21.358  3.7863  16.551  4.8442  4.807018       6.148329 
1 1 1 2   6   0  o 234.376 4.4914  7367.10   281.959   7364.65   398.512   7369.55   398.990   234.337 6.3491  234.415 6.3546  -0.7757568E-01 8.982866 
1 1 1 2   6   1  o 301.618 5.6586  12210.75  457.105   12009.11  646.208   12412.68  646.680   299.121 8.0656  304.116 7.9389  -4.994995      11.31727 
1 1 1 2   6   2  o 192.959 3.7302  4991.01   192.787   5029.89   272.748   4952.20   272.537   193.710 5.2568  192.207 5.2938  1.503052       7.460416 
1 1 1 2   6   3  o 244.352 6.5741  8028.25   429.107   7312.12   604.241   8756.87   609.491   233.318 9.6688  255.387 8.9101  -22.06853      13.14819 
1 1 1 2   6   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   6   5  o 498.405 9.1799  33439.63  1225.42   33039.13  1732.84   33840.27  1733.17   495.405 13.059  501.405 12.905  -6.000702      18.35976 
1 1 1 2   6   6  f 161.576 3.2783  3498.63   141.873   3474.22   200.689   3523.02   200.589   161.012 4.6535  162.140 4.6188  -1.127808      6.556508 
1 1 1 2   6   7  o 524.795 9.6139  37085.68  1351.06   36123.65  1909.95   38049.19  1911.41   517.947 13.767  531.644 13.423  -13.69641      19.22785 
1 1 1 2   6   8  o 358.570 6.7107  17268.62  644.131   17962.56  911.471   16576.30  910.406   365.786 9.3031  351.354 9.6739  14.43277       13.42131 
1 1 1 2   6   9  o 268.439 5.0432  9664.44   362.607   9663.35   512.737   9665.54   512.872   268.424 7.1316  268.454 7.1326  -0.3039551E-01 10.08631 
1 1 1 2   6   10 o 317.752 5.9592  13550.84  507.173   13457.68  717.070   13644.10  717.433   316.657 8.4544  318.847 8.4006  -2.190002      11.91836 
1 1 1 2   6   11 o 260.449 4.9481  9099.86   345.164   8976.00   487.941   9223.92   488.331   258.672 7.0425  262.225 6.9526  -3.553619      9.896294 
1 1 1 2   6   12 o 237.105 4.6451  7542.12   295.000   7553.06   417.179   7531.17   417.207   237.277 6.5641  236.932 6.5741  0.3446808      9.290159 
1 1 1 2   6   13 o 186.074 3.7241  4646.33   185.438   4878.23   262.406   4414.98   262.093   190.721 5.1367  181.427 5.3934  9.294632       7.448143 
1 1 1 2   6   14 o 178.723 3.6102  4286.22   172.793   4379.80   244.389   4192.67   244.345   180.677 5.0500  176.768 5.1607  3.909042       7.220470 
1 1 1 2   6   15 o 169.264 3.4469  3846.17   156.232   3741.07   220.737   3951.67   221.154   166.942 4.9365  171.586 4.8120  -4.644470      6.893788 
1 1 1 2   6   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   6   17 o 185.133 3.6707  4607.95   181.982   4494.18   257.077   4722.23   257.646   182.834 5.2495  187.432 5.1320  -4.597443      7.341317 
1 1 1 2   6   18 f 127.500 2.7541  2182.47   94.045    2214.26   132.875   2150.55   133.124   128.433 3.8626  126.567 3.9269  1.866371       5.508167 
1 1 1 2   6   19 o 167.022 3.4061  3751.00   152.370   3788.76   215.325   3713.12   215.642   167.868 4.7889  166.177 4.8448  1.691589       6.812157 
1 1 1 2   6   20 o 130.825 2.8659  2299.08   100.421   2316.75   141.859   2281.34   142.176   131.331 4.0327  130.320 4.0731  1.011154       5.731774 
1 1 1 2   6   21 o 101.529 2.4655  1384.05   66.985    1308.62   94.302    1460.87   95.166    98.731  3.5660  104.327 3.4056  -5.596260      4.930974 
1 1 1 2   6   22 o 76.017  2.1535  775.891   43.805    815.002   61.924    736.715   61.976    77.940  2.9663  74.095  3.1228  3.845032       4.307063 
1 1 1 2   6   23 o 142.134 3.0025  2717.05   114.290   2660.27   161.280   2774.33   161.985   140.637 4.2814  143.630 4.2105  -2.993576      6.004956 
1 1 1 2   6   24 o 181.873 3.6714  4464.86   178.783   4313.86   252.371   4616.98   253.305   178.764 5.2707  184.981 5.1124  -6.217316      7.342861 
1 1 1 2   6   25 o 25.158  4.0886  87.445    26.606    87.445    26.606    0.0000    0.0000    25.158  4.0886  ?       ?       ?              ?        
1 1 1 2   6   26 o 98.007  2.3870  1293.35   62.657    1298.76   88.254    1287.86   88.972    98.217  3.3548  97.798  3.3965  0.4194717      4.773977 
1 1 1 2   6   27 o 93.437  2.3513  1177.56   58.818    1216.07   83.032    1138.77   83.332    94.982  3.2637  91.891  3.3857  3.090874       4.702651 
1 1 1 2   6   28 o 61.502  2.0309  510.386   33.416    536.021   47.105    484.416   47.411    63.070  2.7884  59.934  2.9534  3.135307       4.061720 
1 1 1 2   6   29 o 20.318  2.3404  57.931    12.143    68.573    17.045    46.961    17.305    22.348  2.9171  18.288  3.6606  4.060190       4.680741 
1 1 1 2   6   30 o 60.935  2.0516  503.601   33.376    532.367   47.082    474.541   47.321    62.745  2.8015  59.125  2.9979  3.620087       4.103116 
1 1 1 2   6   31 o 37.285  1.9718  189.291   19.547    190.886   27.502    187.664   27.786    37.450  2.7612  37.119  2.8157  0.3308296      3.943659 
1 1 1 2   6   32 o 34.876  2.0003  166.434   18.477    178.099   26.012    154.554   26.251    36.148  2.7062  33.604  2.9463  2.543934       4.000516 
1 1 1 2   6   33 o 17.018  2.7223  41.044    12.247    29.677    16.724    54.190    17.985    14.451  4.1199  19.585  3.5596  -5.134351      5.444636 
1 1 1 2   6   34 o 42.034  2.0416  243.097   22.772    262.201   32.033    223.578   32.379    43.763  2.7467  40.305  3.0212  3.458389       4.083162 
1 1 1 2   6   35 o 22.096  2.5999  69.750    14.790    61.716    20.807    77.954    21.028    20.702  3.8954  23.490  3.4444  -2.788237      5.199793 
1 1 1 2   6   36 o 29.766  2.2372  124.262   17.559    126.133   24.720    122.358   24.945    30.012  3.1207  29.520  3.2065  0.4922199      4.474410 
1 1 1 2   6   37 o 24.927  2.4336  89.036    15.799    90.420    22.008    87.564    22.695    25.173  3.3470  24.682  3.5338  0.4911728      4.867271 
1 1 1 2   6   38 o 13.126  2.9367  24.593    12.242    35.387    17.031    13.053    17.609    15.326  4.0775  10.926  4.2276  4.400174       5.873495 
1 1 1 2   6   39 o 23.675  2.5928  82.368    15.890    78.246    22.538    86.441    22.405    23.007  3.7892  24.343  3.5400  -1.335514      5.185542 
1 1 1 2   6   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   6   41 o 11.375  2.8652  15.352    12.166    29.890    17.122    0.5307    17.289    13.872  4.2267  8.8774  3.8693  4.994931       5.730339 
1 1 1 2   6   42 o 20.284  3.0852  66.014    16.278    56.654    22.305    76.679    23.810    18.580  4.5242  21.988  4.1959  -3.407616      6.170429 
1 1 1 2   7   0  o 295.636 6.9016  11839.89  512.606   12033.63  627.449   11451.06  888.889   299.464 7.8225  291.809 11.373  7.655426       13.80317 
1 1 1 2   7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   7   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   7   3  o 584.266 10.716  46048.34  1676.24   47646.36  2371.91   44453.92  2369.23   594.464 14.896  574.069 15.408  20.39508       21.43175 
1 1 1 2   7   4  f 335.756 6.2530  15132.67  562.340   15082.29  795.350   15183.03  795.188   335.196 8.8587  336.316 8.8274  -1.120361      12.50599 
1 1 1 2   7   5  o 409.658 7.5846  22551.52  832.110   22995.21  1177.32   22108.64  1176.24   413.697 10.625  405.618 10.827  8.078644       15.16911 
1 1 1 2   7   6  o 313.543 5.8754  13192.71  493.360   13457.62  698.069   12928.34  697.364   316.694 8.2294  310.392 8.3880  6.301697       11.75083 
1 1 1 2   7   7  o 155.822 3.1604  3253.78   131.886   3320.01   186.671   3187.76   186.358   157.406 4.4276  154.238 4.5110  3.168457       6.320775 
1 1 1 2   7   8  o 275.908 5.1962  10214.19  383.792   10618.28  543.147   9811.25   542.381   281.368 7.2070  270.448 7.4874  10.91974       10.39241 
1 1 1 2   7   9  o 268.081 5.0968  9641.69   365.879   9902.43   517.654   9381.41   517.209   271.709 7.1129  264.453 7.3018  7.255707       10.19359 
1 1 1 2   7   10 o 507.249 9.3840  34674.10  1274.69   33834.04  1801.95   35515.52  1803.42   501.062 13.427  513.436 13.114  -12.37357      18.76801 
1 1 1 2   7   11 o 117.783 2.6003  1858.98   82.034    1844.91   115.927   1873.09   116.100   117.337 3.6886  118.230 3.6662  -0.8930969     5.200661 
1 1 1 2   7   12 o 388.398 7.2457  20320.15  753.749   20101.58  1065.68   20538.96  1066.24   386.297 10.300  390.500 10.194  -4.203064      14.49133 
1 1 1 2   7   13 o 116.791 2.5867  1829.05   80.876    1758.88   114.245   1899.54   114.506   114.543 3.7238  119.039 3.5913  -4.496452      5.173369 
1 1 1 2   7   14 o 99.054  2.3657  1315.43   62.766    1308.90   88.720    1321.98   88.809    98.807  3.3523  99.300  3.3390  -0.4928894     4.731493 
1 1 1 2   7   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   7   16 o 313.105 5.9675  13259.45  500.461   13262.35  707.631   13256.55  707.888   313.140 8.4368  313.070 8.4418  0.7025146E-01  11.93497 
1 1 1 2   7   17 o 112.415 2.5506  1695.95   76.794    1716.43   108.494   1675.39   108.714   113.097 3.5815  111.734 3.6325  1.363708       5.101216 
1 1 1 2   7   18 o 158.909 3.2712  3394.37   139.208   3311.27   196.613   3477.92   197.129   156.952 4.6769  160.866 4.5751  -3.913803      6.542499 
1 1 1 2   7   19 o 58.460  1.8969  458.233   29.695    444.687   41.764    472.082   42.230    57.585  2.7077  59.334  2.6572  -1.748726      3.793714 
1 1 1 2   7   20 o 128.362 2.7784  2213.08   95.521    2227.14   134.830   2198.92   135.345   128.773 3.9091  127.951 3.9492  0.8221512      5.556704 
1 1 1 2   7   21 o 137.252 2.9697  2532.27   109.148   2589.53   154.165   2474.72   154.552   138.814 4.1463  135.690 4.2525  3.124252       5.939314 
1 1 1 2   7   22 o 130.053 2.8322  2273.44   98.657    2265.41   139.283   2281.53   139.762   129.823 4.0055  130.284 4.0051  -0.4610443     5.664332 
1 1 1 2   7   23 o 125.233 2.7888  2109.34   93.544    2092.01   131.992   2126.82   132.591   124.715 3.9513  125.751 3.9365  -1.035217      5.577557 
1 1 1 2   7   24 o 60.270  2.0085  488.013   32.412    496.592   45.511    479.185   46.170    60.810  2.7942  59.729  2.8859  1.080761       4.016966 
1 1 1 2   7   25 o 53.072  1.9658  379.565   27.845    383.225   39.334    375.888   39.424    53.331  2.7631  52.813  2.7969  0.5183144      3.931578 
1 1 1 2   7   26 o 25.546  2.0602  88.952    13.845    89.250    19.567    88.653    19.592    25.590  2.9062  25.502  2.9210  0.8870506E-01  4.120423 
1 1 1 2   7   27 o 19.315  2.3502  51.977    11.654    43.865    16.388    60.275    16.576    17.701  3.5795  20.928  3.0466  -3.226284      4.700468 
1 1 1 2   7   28 o 9.4006  2.4949  8.2530    8.6793    3.7180    12.099    13.061    12.457    8.4030  3.4206  10.398  3.6330  -1.995193      4.989872 
1 1 1 2   7   29 o 31.068  2.0230  132.402   16.330    104.010   22.782    162.406   23.420    27.536  3.1454  34.600  2.5450  -7.064560      4.045998 
1 1 1 2   7   30 o 43.915  1.9578  262.116   22.901    268.594   32.215    255.499   32.561    44.478  2.7171  43.353  2.8194  1.124493       3.915571 
1 1 1 2   7   31 o 41.916  1.9808  239.595   22.062    256.620   31.168    222.499   31.233    43.443  2.6918  40.388  2.9066  3.054550       3.961571 
1 1 1 2   7   32 o 9.5040  2.5622  6.1968    9.8209    -4.5690   14.020    16.570    13.762    7.6886  3.4123  11.319  3.8230  -3.630903      5.124364 
1 1 1 2   7   33 o 40.962  2.0294  230.012   22.124    227.490   31.205    232.561   31.373    40.733  2.8787  41.192  2.8613  -0.4593735     4.058794 
1 1 1 2   7   34 o 20.062  2.5962  57.356    13.417    51.435    18.535    63.874    19.447    18.914  3.7907  21.210  3.5485  -2.295959      5.192424 
1 1 1 2   7   35 o 38.999  2.1237  211.389   21.967    225.072   30.997    197.582   31.135    40.326  2.8889  37.671  3.1136  2.654461       4.247376 
1 1 1 2   7   36 o 26.934  2.4014  103.183   16.923    98.020    23.754    108.506   24.117    26.208  3.4691  27.661  3.3216  -1.453077      4.802877 
1 1 1 2   7   37 o 13.726  2.6944  23.948    12.199    50.199    17.948    1.4072    16.631    18.443  3.7607  9.0086  3.8597  9.434520       5.388887 
1 1 1 2   7   38 o 10.787  2.8566  11.564    11.866    0.3705    16.505    23.539    17.071    8.8042  3.8091  12.769  4.2580  -3.965226      5.713171 
1 1 1 2   7   39 o 32.460  2.3674  151.983   20.255    158.159   28.398    145.587   28.900    33.213  3.2331  31.707  3.4590  1.506102       4.734752 
1 1 1 2   7   40 o 19.941  2.9836  61.626    15.440    56.542    22.083    66.488    21.595    18.987  4.4243  20.896  4.0042  -1.909330      5.967241 
1 1 1 2   7   41 o 29.833  2.4739  132.740   19.381    134.969   27.178    130.433   27.647    30.150  3.4262  29.515  3.5697  0.6349907      4.947896 
1 1 1 2   8   0  o 285.660 5.3781  10948.53  411.445   10730.95  581.405   11166.81  582.337   282.812 7.6752  288.508 7.5358  -5.695709      10.75626 
1 1 1 2   8   1  o 289.941 5.4177  11279.56  420.673   11515.75  594.976   11043.46  594.869   292.982 7.5817  286.901 7.7411  6.081451       10.83544 
1 1 1 2   8   2  o 374.191 6.9276  18809.52  694.049   18184.38  981.040   19435.91  982.029   367.948 9.9543  380.434 9.6373  -12.48596      13.85519 
1 1 1 2   8   3  o 101.772 2.3233  1387.61   63.328    1408.47   89.629    1366.82   89.491    102.536 3.2635  101.009 3.3077  1.527626       4.646651 
1 1 1 2   8   4  o 419.463 7.7644  23643.97  872.351   23675.79  1233.86   23612.17  1233.52   419.746 10.975  419.180 10.986  0.5658569      15.52884 
1 1 1 2   8   5  o 334.910 6.2454  15054.39  560.229   15208.71  792.598   14900.30  791.969   336.629 8.7905  333.191 8.8741  3.437469       12.49090 
1 1 1 2   8   6  o 337.111 6.2372  15253.06  563.177   15350.01  796.695   15156.23  796.209   338.184 8.7953  336.038 8.8461  2.145691       12.47437 
1 1 1 2   8   7  o 134.573 2.8785  2429.18   103.547   2614.99   146.788   2245.14   146.090   139.703 3.9228  129.443 4.2136  10.26024       5.756959 
1 1 1 2   8   8  f 85.856  2.1853  987.627   50.233    1023.71   71.229    951.925   70.854    87.417  3.0421  84.295  3.1381  3.121368       4.370618 
1 1 1 2   8   9  o 234.240 4.4820  7359.10   281.203   7343.80   397.723   7374.39   397.638   233.996 6.3457  234.484 6.3312  -0.4876099     8.963961 
1 1 1 2   8   10 o 191.217 3.7266  4902.94   190.868   4902.57   269.944   4903.31   269.913   191.210 5.2708  191.224 5.2698  -0.1445007E-01 7.453275 
1 1 1 2   8   11 o 313.525 5.9232  13224.11  497.094   12667.57  702.473   13782.31  703.522   306.888 8.5459  320.161 8.2039  -13.27240      11.84640 
1 1 1 2   8   12 o 346.882 6.5298  16221.77  606.684   16125.15  857.806   16318.47  858.156   345.842 9.2602  347.922 9.2086  -2.079803      13.05953 
1 1 1 2   8   13 o 244.019 6.6037  8046.47   431.048   7524.10   606.001   8581.41   613.253   235.944 9.5891  252.095 9.0821  -16.15140      13.20737 
1 1 1 2   8   14 o 92.990  3.2984  1175.01   81.004    997.420   116.517   1341.14   112.692   86.016  5.0798  99.963  4.2088  -13.94711      6.596897 
1 1 1 2   8   15 o 46.506  1.7762  290.850   22.029    302.161   31.169    279.561   31.140    47.416  2.4627  45.596  2.5601  1.819633       3.552305 
1 1 1 2   8   16 o 40.008  1.7637  215.422   18.804    217.556   26.534    213.270   26.652    40.210  2.4757  39.807  2.5125  0.4023743      3.527318 
1 1 1 2   8   17 o 48.691  1.8147  318.748   23.584    319.206   33.312    318.289   33.393    48.727  2.5613  48.656  2.5715  0.7096100E-01  3.629422 
1 1 1 2   8   18 f 83.269  2.1742  930.144   48.492    921.687   68.451    938.665   68.707    82.889  3.0831  83.650  3.0665  -0.7607346     4.348493 
1 1 1 2   8   19 o 151.907 3.1766  3102.10   129.241   3138.23   182.575   3065.81   182.974   152.798 4.4610  151.016 4.5235  1.781219       6.353201 
1 1 1 2   8   20 o 154.126 3.2517  3194.66   134.235   3162.91   189.560   3226.59   190.115   153.356 4.6149  154.896 4.5823  -1.540573      6.503424 
1 1 1 2   8   21 o 128.871 2.8065  2232.03   96.873    2230.01   136.741   2234.06   137.260   128.813 3.9632  128.929 3.9747  -0.1157837     5.612980 
1 1 1 2   8   22 o 150.126 3.1781  3034.74   127.793   3007.48   180.430   3062.18   181.024   149.447 4.5075  150.804 4.4816  -1.357864      6.356252 
1 1 1 2   8   23 o 84.319  2.2175  955.475   50.077    968.221   70.659    942.614   70.980    84.887  3.1077  83.752  3.1641  1.135094       4.435012 
1 1 1 2   8   24 o 49.615  1.9919  331.709   26.331    310.576   36.807    353.862   37.685    47.985  2.8770  51.245  2.7556  -3.259991      3.983810 
1 1 1 2   8   25 o 48.779  1.9336  320.928   25.160    313.721   35.352    328.325   35.815    48.221  2.7485  49.338  2.7207  -1.116684      3.867299 
1 1 1 2   8   26 o 101.649 2.4832  1396.28   67.599    1420.27   95.391    1372.08   95.808    102.536 3.4733  100.762 3.5499  1.774055       4.966435 
1 1 1 2   8   27 o 73.047  2.1424  720.748   41.909    733.321   59.109    708.038   59.429    73.695  2.9945  72.399  3.0646  1.295563       4.284735 
1 1 1 2   8   28 o 115.577 2.6868  1818.37   83.129    1742.57   117.160   1895.22   117.968   113.118 3.8669  118.036 3.7313  -4.917961      5.373574 
1 1 1 2   8   29 o 73.746  2.1694  738.126   42.806    771.719   60.257    703.904   60.819    75.467  2.9810  72.025  3.1526  3.441689       4.338792 
1 1 1 2   8   30 o 58.595  2.0379  465.552   31.980    458.111   44.835    473.260   45.629    58.119  2.8801  59.071  2.8839  -0.9521866     4.075779 
1 1 1 2   8   31 o 42.553  2.0054  246.941   22.714    235.886   31.776    258.491   32.480    41.565  2.8718  43.540  2.7999  -1.974617      4.010811 
1 1 1 2   8   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   8   33 o 9.3680  2.6247  6.9008    9.8173    4.6699    13.624    9.3101    14.159    8.8929  3.6260  9.8430  3.7958  -0.9500551     5.249363 
1 1 1 2   8   34 o 42.095  2.1266  246.009   23.744    263.194   33.276    228.184   33.890    43.669  2.8608  40.521  3.1472  3.147839       4.253122 
1 1 1 2   8   35 o 29.241  2.2760  120.691   17.476    128.392   24.499    112.714   24.936    30.268  3.0640  28.213  3.3663  2.055376       4.551922 
1 1 1 2   8   36 o 43.230  2.1229  261.973   24.429    262.309   34.480    261.634   34.617    43.264  2.9938  43.197  3.0107  0.6695175E-01  4.245898 
1 1 1 2   8   37 o 10.453  2.6082  7.2365    10.995    -12.0787  15.172    28.599    15.956    7.0649  3.2903  13.840  4.0478  -6.775311      5.216353 
1 1 1 2   8   38 o 31.080  2.3379  138.670   19.161    137.362   26.806    140.037   27.398    30.942  3.2846  31.218  3.3279  -0.2755527     4.675854 
1 1 1 2   8   39 o 13.850  2.6883  21.539    13.567    -11.1286  18.627    58.447    19.800    8.0270  3.7061  19.673  3.8952  -11.64630      5.376640 
1 1 1 2   8   40 o 16.740  3.0211  44.574    14.308    26.793    20.133    62.716    20.336    13.254  4.6192  20.227  3.8950  -6.972522      6.042189 
1 1 1 2   9   0  o 393.896 7.2931  20843.70  769.409   21104.32  1087.99   20582.97  1088.23   396.366 10.248  391.425 10.380  4.941681       14.58624 
1 1 1 2   9   1  o 397.921 7.3767  21280.27  785.705   22187.79  1111.69   20374.50  1110.62   406.427 10.212  389.415 10.648  17.01187       14.75344 
1 1 1 2   9   2  o 634.586 11.587  54352.50  1968.53   56340.49  2785.50   52369.02  2782.34   646.266 16.092  622.906 16.676  23.35992       23.17413 
1 1 1 2   9   3  o 186.375 3.6607  4655.44   182.740   4690.32   258.511   4620.59   258.355   187.073 5.1592  185.676 5.1948  1.396851       7.321407 
1 1 1 2   9   4  f 183.867 3.6511  4531.09   179.803   4488.93   254.354   4573.20   254.205   183.011 5.1889  184.723 5.1378  -1.711304      7.302112 
1 1 1 2   9   5  o 133.804 2.8362  2398.89   101.638   2438.88   143.944   2359.12   143.532   134.917 3.9833  132.691 4.0385  2.225388       5.672347 
1 1 1 2   9   6  o 264.037 4.9908  9351.34   352.940   9248.68   499.239   9453.92   499.026   262.586 7.0982  265.488 7.0176  -2.902313      9.981554 
1 1 1 2   9   7  o 247.711 4.7451  8234.13   314.585   8622.36   445.416   7847.73   444.365   253.548 6.5587  241.874 6.8590  11.67406       9.490108 
1 1 1 2   9   8  o 330.640 6.1525  14686.02  544.868   14782.23  770.748   14589.91  770.371   331.726 8.6745  329.555 8.7274  2.171082       12.30504 
1 1 1 2   9   9  o 514.307 9.4951  35750.00  1308.01   35751.77  1849.91   35748.23  1849.68   514.320 13.429  514.295 13.428  0.2514648E-01  18.99010 
1 1 1 2   9   10 o 53.750  1.7794  387.278   25.601    371.538   36.251    402.938   36.160    52.660  2.5701  54.841  2.4617  -2.181099      3.558867 
1 1 1 2   9   11 o 97.686  2.3206  1279.44   60.697    1239.03   85.801    1319.92   85.874    96.141  3.3319  99.232  3.2309  -3.091400      4.641187 
1 1 1 2   9   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   9   13 o 158.415 3.2713  3369.90   138.805   3373.82   196.200   3365.97   196.400   158.508 4.6212  158.322 4.6314  0.1854858      6.542591 
1 1 1 2   9   14 o 169.834 3.3898  3875.78   154.173   3785.20   217.790   3966.77   218.277   167.839 4.8446  171.829 4.7427  -3.990173      6.779570 
1 1 1 2   9   15 o 190.154 3.7920  4864.17   193.132   4837.10   272.936   4891.31   273.323   189.622 5.3738  190.685 5.3514  -1.063217      7.583914 
1 1 1 2   9   16 o 65.153  1.9323  569.319   33.711    583.399   47.621    555.176   47.729    65.961  2.6954  64.344  2.7694  1.617432       3.864519 
1 1 1 2   9   17 o 206.417 4.0744  5739.90   225.260   5800.28   318.454   5679.45   318.677   207.511 5.7295  205.324 5.7946  2.186325       8.148896 
1 1 1 2   9   18 o 72.067  2.0868  696.659   40.281    694.989   56.779    698.351   57.155    71.980  2.9450  72.154  2.9574  -0.1733780     4.173622 
1 1 1 2   9   19 o 41.112  1.8849  227.608   20.643    228.533   29.383    226.706   29.008    41.193  2.6776  41.030  2.6538  0.1634102      3.769892 
1 1 1 2   9   20 o 250.187 4.8605  8474.92   325.436   8058.84   459.522   8893.58   460.954   243.963 7.0322  256.411 6.7117  -12.44833      9.721055 
1 1 1 2   9   21 o 110.288 2.5657  1634.66   75.788    1610.52   106.869   1659.08   107.496   109.467 3.6448  111.109 3.6121  -1.641685      5.131455 
1 1 1 2   9   22 o 99.042  2.4099  1318.77   63.921    1288.46   90.001    1349.61   90.801    97.891  3.4325  100.193 3.3835  -2.301552      4.819784 
1 1 1 2   9   23 o 119.018 2.7119  1908.94   86.451    1891.54   121.965   1926.50   122.559   118.472 3.8435  119.565 3.8269  -1.092972      5.423865 
1 1 1 2   9   24 o 26.262  2.0624  94.020    14.230    87.405    20.097    100.671   20.151    25.307  3.0248  27.217  2.8044  -1.909988      4.124800 
1 1 1 2   9   25 o 12.886  2.5360  22.015    9.7061    10.437    13.425    34.694    14.049    10.041  3.7355  15.730  3.4310  -5.688508      5.072074 
1 1 1 2   9   26 o 44.314  1.9230  265.780   22.707    272.025   31.995    259.442   32.231    44.847  2.6757  43.780  2.7627  1.067356       3.846051 
1 1 1 2   9   27 o 97.192  2.4256  1281.40   63.143    1283.98   89.007    1278.78   89.591    97.296  3.4154  97.088  3.4452  0.2079163      4.851215 
1 1 1 2   9   28 o 53.793  2.0047  392.734   28.770    400.871   40.427    384.385   40.953    54.371  2.7853  53.214  2.8840  1.156528       4.009417 
1 1 1 2   9   29 o 34.733  2.0140  164.894   18.522    176.473   26.049    153.055   26.341    36.004  2.7212  33.462  2.9698  2.542427       4.028025 
1 1 1 2   9   30 o 53.179  2.0285  385.460   28.767    395.508   40.339    375.060   41.035    53.907  2.8034  52.451  2.9326  1.455391       4.057018 
1 1 1 2   9   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   9   32 o 14.933  2.8239  32.207    11.535    29.853    16.609    34.401    16.031    14.426  4.1033  15.441  3.8807  -1.014680      5.647746 
1 1 1 2   9   33 o 31.210  2.2264  135.871   18.309    145.502   25.850    126.175   25.937    32.381  3.0151  30.040  3.2767  2.341490       4.452795 
1 1 1 2   9   34 o 43.771  2.0594  265.845   24.005    268.946   33.868    262.715   34.028    44.042  2.8870  43.501  2.9376  0.5414925      4.118785 
1 1 1 2   9   35 o 11.073  2.8587  14.842    11.249    19.917    15.527    9.2351    16.320    12.014  4.0608  10.132  4.0249  1.881511       5.717444 
1 1 1 2   9   36 o 13.682  3.0247  27.387    12.618    35.087    17.726    19.477    17.967    15.253  4.2037  12.111  4.3503  3.142575       6.049499 
1 1 1 2   9   37 o 25.099  2.5474  91.678    16.510    78.748    22.865    105.762   23.865    23.096  3.8303  27.103  3.3595  -4.006252      5.094862 
1 1 1 2   9   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   9   39 o 11.196  3.0263  15.322    12.837    20.484    17.889    9.8410    18.433    12.036  4.3390  10.357  4.2197  1.678503       6.052510 
1 1 1 2   10  0  o 189.703 3.7226  4823.64   189.113   4701.16   266.995   4946.96   267.899   187.285 5.3225  192.121 5.2060  -4.836929      7.445221 
1 1 1 2   10  1  o 251.584 4.8175  8487.63   324.634   8490.23   458.879   8485.02   459.324   251.623 6.8086  251.545 6.8173  0.7768250E-01  9.635015 
1 1 1 2   10  2  o 283.620 5.3224  10790.18  404.325   10825.91  571.723   10754.42  571.882   284.090 7.5135  283.149 7.5405  0.9411926      10.64481 
1 1 1 2   10  3  o 52.168  1.8558  365.415   25.841    388.331   36.544    342.498   36.546    53.843  2.5340  50.492  2.7121  3.350761       3.711686 
1 1 1 2   10  4  o 113.790 2.5167  1734.95   76.691    1698.55   108.472   1771.33   108.444   112.596 3.5967  114.984 3.5211  -2.388115      5.033341 
1 1 1 2   10  5  o 270.367 5.1065  9807.79   369.754   9638.96   522.973   9976.54   522.850   268.036 7.2844  272.698 7.1582  -4.661682      10.21291 
1 1 1 2   10  6  o 230.143 4.4404  7104.43   273.700   7210.18   387.412   6999.06   386.729   231.855 6.2383  228.430 6.3207  3.424301       8.880748 
1 1 1 2   10  7  o 291.344 5.5294  11401.06  431.439   11611.14  610.551   11191.54  609.744   294.032 7.7524  288.656 7.8864  5.375977       11.05872 
1 1 1 2   10  8  o 181.367 3.5434  4411.87   172.132   4417.55   243.592   4406.20   243.272   181.484 5.0111  181.251 5.0110  0.2333069      7.086709 
1 1 1 2   10  9  o 91.309  2.2614  1117.62   55.280    1162.76   78.405    1072.99   77.953    93.144  3.1427  89.474  3.2527  3.670105       4.522886 
1 1 1 2   10  10 o 88.329  2.1691  1045.83   51.318    1042.14   72.695    1049.49   72.454    88.174  3.0781  88.485  3.0571  -0.3107758     4.338218 
1 1 1 2   10  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   10  12 o 99.583  2.3507  1330.06   62.697    1349.27   88.733    1310.90   88.602    100.302 3.3029  98.864  3.3459  1.437958       4.701485 
1 1 1 2   10  13 o 202.332 3.9633  5507.59   214.790   5507.19   303.704   5508.00   303.813   202.324 5.6042  202.339 5.6058  -0.1463318E-01 7.926665 
1 1 1 2   10  14 o 231.169 4.4791  7203.50   277.240   6974.07   391.752   7433.68   392.401   227.459 6.4301  234.879 6.2373  -7.420303      8.958257 
1 1 1 2   10  15 o 273.316 5.2440  10096.90  383.893   10046.97  542.696   10146.91  543.117   272.635 7.4317  273.998 7.4004  -1.363098      10.48791 
1 1 1 2   10  16 o 202.715 4.0304  5534.89   218.839   5541.29   309.294   5528.48   309.677   202.834 5.6930  202.597 5.7067  0.2372589      8.060844 
1 1 1 2   10  17 o 81.473  2.2145  890.545   48.325    888.929   68.147    892.179   68.538    81.399  3.1257  81.547  3.1379  -0.1480942     4.429018 
1 1 1 2   10  18 o 38.695  1.9041  201.672   19.607    196.036   27.372    207.612   28.099    38.137  2.6969  39.253  2.6888  -1.116047      3.808282 
1 1 1 2   10  19 o 141.770 3.0243  2702.71   114.839   2682.57   162.124   2723.00   162.692   141.238 4.2856  142.301 4.2684  -1.062698      6.048596 
1 1 1 2   10  20 o 104.331 2.4308  1462.37   67.919    1429.50   95.704    1495.72   96.402    103.148 3.4640  105.515 3.4110  -2.367317      4.861538 
1 1 1 2   10  21 o 144.432 4.3945  2830.29   169.825   2828.02   234.825   2832.79   245.895   144.414 6.0708  144.450 6.3554  -0.3622437E-01 8.788935 
1 1 1 2   10  22 o 176.823 3.5969  4233.43   170.354   4208.19   240.503   4258.84   241.331   176.291 5.0933  177.354 5.0802  -1.062683      7.193796 
1 1 1 2   10  23 o 89.990  2.3152  1090.77   55.801    1076.80   78.614    1104.96   79.219    89.407  3.2828  90.572  3.2655  -1.164337      4.630308 
1 1 1 2   10  24 o 90.411  2.3232  1103.82   56.201    1156.90   79.274    1050.20   79.687    92.615  3.1957  88.206  3.3729  4.409500       4.646338 
1 1 1 2   10  25 o 54.664  1.9842  403.985   28.953    402.677   40.772    405.316   41.123    54.576  2.7985  54.752  2.8136  -0.1762352     3.968365 
1 1 1 2   10  26 f 68.980  2.0966  643.346   38.701    607.391   54.419    680.140   55.050    67.015  3.0317  70.945  2.8970  -3.929955      4.193296 
1 1 1 2   10  27 o 9.7846  2.3846  8.8478    8.6032    20.922    12.197    -3.1081   12.137    12.262  3.5255  7.3067  3.2118  4.955688       4.769116 
1 1 1 2   10  28 o 36.397  1.9975  180.500   19.316    175.360   27.218    185.715   27.416    35.865  2.8570  36.929  2.7923  -1.064423      3.994979 
1 1 1 2   10  29 o 42.844  2.0253  250.847   23.042    269.258   32.404    232.015   32.772    44.478  2.7332  41.209  2.9894  3.269154       4.050504 
1 1 1 2   10  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   10  31 o 20.136  2.5779  58.455    13.248    72.114    18.635    44.496    18.838    22.732  3.1448  17.541  4.0856  5.191240       5.155797 
1 1 1 2   10  32 f 13.695  2.7987  25.075    11.957    8.8589    16.603    42.549    17.235    10.253  4.0638  17.136  3.8490  -6.882934      5.597301 
1 1 1 2   10  33 o 17.840  2.7871  46.594    12.974    42.523    18.269    50.736    18.428    17.001  4.0666  18.680  3.8122  -1.678762      5.574107 
1 1 1 2   10  34 o 15.127  2.9464  34.023    12.489    40.883    17.588    27.049    17.736    16.598  4.0027  13.656  4.3247  2.941759       5.892740 
1 1 1 2   10  35 o 15.587  3.0051  36.634    12.890    37.258    18.043    35.984    18.423    15.728  4.2028  15.447  4.2964  0.2811270      6.010177 
1 1 1 2   10  36 o 8.0779  2.5236  -3.3392   10.818    -7.7007   15.217    1.1182    15.383    7.5178  3.4255  8.6380  3.7068  -1.120195      5.047213 
1 1 1 2   10  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   10  38 o 22.151  2.7738  74.364    15.798    84.162    22.507    64.848    22.181    23.788  3.6488  20.514  4.1787  3.274048       5.547562 
1 1 1 2   10  39 o 19.630  3.0788  61.652    15.764    58.568    21.986    64.916    22.616    19.082  4.3925  20.177  4.3153  -1.095291      6.157567 
1 1 1 2   11  0  o 320.223 6.0008  13764.83  514.533   14156.68  727.585   13372.83  727.735   324.793 8.3635  315.654 8.6074  9.138947       12.00151 
1 1 1 2   11  1  f 570.082 10.490  43815.90  1601.81   43753.93  2265.00   43877.90  2265.60   569.676 14.844  570.487 14.827  -0.8108521     20.98048 
1 1 1 2   11  2  o 250.610 4.8091  8428.08   322.521   8005.25   455.602   8852.81   456.626   244.297 6.9627  256.923 6.6354  -12.62570      9.618114 
1 1 1 2   11  3  f 190.948 3.7785  4888.10   193.242   4827.60   273.246   4948.64   273.323   189.765 5.3759  192.132 5.3112  -2.366577      7.557013 
1 1 1 2   11  4  o 144.442 3.0262  2796.15   117.077   2820.09   165.713   2772.29   165.430   145.060 4.2650  143.824 4.2943  1.235397       6.052397 
1 1 1 2   11  5  o 353.047 6.6790  16762.26  631.577   16659.66  893.307   16864.81  893.064   351.962 9.4758  354.132 9.4152  -2.169891      13.35801 
1 1 1 2   11  6  f 318.962 6.0218  13683.55  514.317   14070.06  727.943   13298.29  726.767   323.477 8.4016  314.446 8.6290  9.031433       12.04356 
1 1 1 2   11  7  o 381.289 7.0737  19610.56  722.268   20083.08  1022.07   19139.19  1020.82   385.909 9.8880  376.670 10.118  9.239014       14.14733 
1 1 1 2   11  8  o 209.817 4.0788  5913.59   229.176   6064.10   324.461   5763.75   323.750   212.489 5.7008  207.146 5.8350  5.343063       8.157638 
1 1 1 2   11  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   11  10 o 355.999 6.7438  17162.00  643.034   17287.56  909.666   17036.59  909.110   357.314 9.5048  354.685 9.5694  2.629578       13.48758 
1 1 1 2   11  11 o 73.114  1.9929  716.671   39.027    719.290   55.343    714.080   55.043    73.246  2.8209  72.981  2.8158  0.2656097      3.985766 
1 1 1 2   11  12 o 56.024  1.8684  422.194   27.898    384.557   39.470    459.772   39.439    53.484  2.7646  58.565  2.5142  -5.080788      3.736892 
1 1 1 2   11  13 o 84.263  2.1847  952.857   49.266    907.926   69.661    997.821   69.686    82.271  3.1612  86.254  3.0163  -3.982941      4.369348 
1 1 1 2   11  14 o 284.100 5.4008  10916.21  410.974   10882.06  581.122   10950.38  581.289   283.651 7.6488  284.548 7.6269  -0.8970032     10.80155 
1 1 1 2   11  15 o 123.775 2.7334  2057.18   90.619    2070.34   128.126   2044.00   128.184   124.172 3.8523  123.378 3.8789  0.7947693      5.466826 
1 1 1 2   11  16 o 51.427  1.9202  355.651   26.355    350.538   37.177    360.815   37.366    51.053  2.7286  51.800  2.7025  -0.7469711     3.840422 
1 1 1 2   11  17 o 96.222  2.3334  1242.72   60.134    1255.83   84.932    1229.55   85.153    96.732  3.2780  95.711  3.3216  1.020493       4.666733 
1 1 1 2   11  18 o 113.985 2.5310  1745.23   77.269    1764.31   109.132   1726.04   109.419   114.612 3.5549  113.357 3.6038  1.254486       5.062078 
1 1 1 2   11  19 o 93.565  2.3228  1175.99   58.211    1184.34   82.165    1167.58   82.482    93.900  3.2669  93.231  3.3030  0.6699448      4.645667 
1 1 1 2   11  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   11  21 o 105.915 2.5490  1510.89   72.309    1523.04   102.015   1498.64   102.506   106.346 3.5814  105.484 3.6281  0.8628922      5.097980 
1 1 1 2   11  22 o 79.276  2.1891  846.020   46.474    823.449   65.401    869.042   66.051    78.205  3.1222  80.348  3.0691  -2.143021      4.378106 
1 1 1 2   11  23 o 65.030  2.0487  569.636   35.683    565.699   50.215    573.651   50.715    64.803  2.8930  65.256  2.9015  -0.4527283     4.097350 
1 1 1 2   11  24 o 32.925  1.9644  147.171   17.149    140.311   24.101    154.208   24.408    32.134  2.8290  33.715  2.7261  -1.581646      3.928739 
1 1 1 2   11  25 o 59.038  2.0480  471.955   32.280    500.170   45.671    443.790   45.631    60.858  2.8018  57.218  2.9878  3.640644       4.095932 
1 1 1 2   11  26 o 42.031  1.9500  239.855   21.826    245.877   30.872    233.837   30.861    42.568  2.7219  41.494  2.7930  1.074009       3.899922 
1 1 1 2   11  27 o 62.655  2.0615  532.008   34.585    513.361   48.580    551.173   49.249    61.534  2.9475  63.777  2.8830  -2.242741      4.123001 
1 1 1 2   11  28 o 68.811  2.1271  643.608   39.204    639.889   55.184    647.397   55.704    68.612  3.0028  69.009  3.0136  -0.3976593     4.254270 
1 1 1 2   11  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   11  30 o 47.952  2.0586  315.278   26.230    283.705   36.641    348.462   37.565    45.436  3.0281  50.469  2.7897  -5.032532      4.117288 
1 1 1 2   11  31 o 52.424  2.1365  378.685   29.849    358.931   41.695    399.451   42.750    50.995  3.0668  53.852  2.9753  -2.856716      4.272934 
1 1 1 2   11  32 o 7.3056  2.3126  -5.0190   9.3249    -6.3778   13.227    -3.6763   13.148    7.1482  3.2319  7.4629  3.3087  -0.3146758     4.625236 
1 1 1 2   11  33 o 41.244  2.1153  237.507   23.200    240.470   32.519    234.435   33.109    41.535  2.9421  40.954  3.0400  0.5808487      4.230543 
1 1 1 2   11  34 o 23.902  2.5658  82.789    15.904    84.243    22.333    81.293    22.654    24.152  3.5590  23.652  3.6968  0.4993210      5.131590 
1 1 1 2   11  35 o 24.807  2.5553  89.271    16.455    83.119    22.800    95.957    23.770    23.865  3.6857  25.749  3.5402  -1.884684      5.110514 
1 1 1 2   11  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   11  37 o 11.281  3.0258  15.692    12.614    12.897    17.514    18.703    18.183    10.745  4.1999  11.817  4.3568  -1.071504      6.051503 
1 1 1 2   11  38 o 20.325  2.9789  65.752    15.834    42.865    22.053    90.105    22.749    16.143  4.7695  24.508  3.5704  -8.365173      5.957819 
1 1 1 2   12  0  o 106.317 2.4001  1514.33   68.347    1502.63   96.300    1526.20   97.018    105.903 3.3949  106.731 3.3937  -0.8273849     4.800297 
1 1 1 2   12  1  o 90.537  2.2170  1098.18   53.760    1098.62   75.772    1097.72   76.288    90.555  3.1240  90.518  3.1465  0.3754425E-01  4.433931 
1 1 1 2   12  2  o 126.081 2.7875  2132.43   93.992    2269.24   132.977   1995.83   132.872   130.130 3.8152  122.034 4.0650  8.095840       5.574954 
1 1 1 2   12  3  o 464.608 8.5432  29119.58  1063.11   29400.48  1503.68   28838.83  1503.26   466.865 12.025  462.352 12.139  4.512299       17.08631 
1 1 1 2   12  4  o 375.881 6.9842  19031.43  703.143   19211.76  994.658   18851.29  994.131   377.671 9.8327  374.092 9.9215  3.579285       13.96844 
1 1 1 2   12  5  o 263.724 4.9942  9348.26   352.747   9202.21   498.934   9494.22   498.787   261.657 7.1190  265.791 7.0063  -4.134094      9.988415 
1 1 1 2   12  6  o 204.091 3.9505  5593.34   215.954   5619.78   305.717   5567.00   305.094   204.574 5.5793  203.609 5.5943  0.9642792      7.900964 
1 1 1 2   12  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   12  8  o 201.545 3.9703  5460.72   214.284   5601.50   303.450   5320.68   302.639   204.145 5.5496  198.945 5.6794  5.200043       7.940622 
1 1 1 2   12  9  f 136.912 2.9442  2516.39   107.943   2587.45   152.943   2445.86   152.369   138.842 4.1126  134.982 4.2143  3.859848       5.888482 
1 1 1 2   12  10 o 52.731  1.8254  372.765   25.780    369.972   36.627    375.507   36.291    52.534  2.6030  52.927  2.5600  -0.3923225     3.650881 
1 1 1 2   12  11 o 243.894 4.7003  8020.89   307.049   8095.85   434.458   7946.07   434.009   245.040 6.6195  242.749 6.6750  2.291046       9.400698 
1 1 1 2   12  12 o 146.678 3.0510  2890.80   119.819   2799.82   169.461   2981.75   169.438   144.362 4.3826  148.993 4.2458  -4.630783      6.101914 
1 1 1 2   12  13 o 105.967 2.4792  1507.08   70.359    1536.41   99.621    1477.90   99.384    106.998 3.4761  104.937 3.5359  2.061089       4.958367 
1 1 1 2   12  14 o 187.667 3.7471  4740.14   188.343   4790.27   266.401   4690.03   266.313   188.664 5.2718  186.670 5.3263  1.993927       7.494107 
1 1 1 2   12  15 o 115.284 2.6011  1784.47   80.314    1760.56   113.571   1808.40   113.592   114.510 3.7029  116.059 3.6541  -1.549004      5.202281 
1 1 1 2   12  16 o 58.166  1.9475  454.156   30.307    430.126   42.890    478.120   42.832    56.625  2.8279  59.706  2.6783  -3.080658      3.894900 
1 1 1 2   12  17 f 45.084  1.8946  273.720   22.761    285.277   32.245    262.243   32.133    46.041  2.6256  44.128  2.7321  1.913582       3.789234 
1 1 1 2   12  18 o 67.742  2.0032  616.144   36.330    639.053   51.455    593.370   51.303    69.001  2.7841  66.483  2.8810  2.517235       4.006388 
1 1 1 2   12  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   12  20 o 83.512  2.2725  938.382   50.830    945.809   71.690    930.874   72.081    83.847  3.1921  83.177  3.2354  0.6697769      4.545058 
1 1 1 2   12  21 o 120.831 2.7713  1972.19   89.690    1960.19   126.497   1984.32   127.187   120.462 3.9205  121.201 3.9178  -0.7399597     5.542555 
1 1 1 2   12  22 o 17.581  2.3645  43.074    10.720    42.723    14.845    43.457    15.497    17.514  3.2852  17.649  3.4017  -0.1345444     4.729038 
1 1 1 2   12  23 o 86.776  2.2898  1018.01   53.211    1034.44   75.010    1001.36   75.495    87.490  3.2009  86.062  3.2750  1.428108       4.579504 
1 1 1 2   12  24 o 64.669  2.0761  565.195   35.958    554.721   50.625    575.859   51.084    64.062  2.9504  65.277  2.9217  -1.214951      4.152229 
1 1 1 2   12  25 o 51.959  1.9836  366.107   27.503    366.298   38.722    365.913   39.070    51.976  2.7917  51.942  2.8188  0.3364944E-01  3.967246 
1 1 1 2   12  26 o 63.519  2.0804  546.929   35.393    545.098   49.763    548.804   50.349    63.415  2.9297  63.624  2.9545  -0.2087440     4.160795 
1 1 1 2   12  27 o 60.696  2.0825  500.373   33.850    486.991   47.627    514.032   48.119    59.869  2.9701  61.524  2.9200  -1.654438      4.165071 
1 1 1 2   12  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   12  29 o 35.278  2.1038  171.832   19.592    189.452   27.620    153.988   27.796    37.172  2.7945  33.384  3.1455  3.787212       4.207588 
1 1 1 2   12  30 o 45.663  2.1241  288.152   25.754    311.329   36.303    264.667   36.543    47.584  2.8616  43.743  3.1398  3.841068       4.248219 
1 1 1 2   12  31 o 29.962  2.2657  126.293   17.765    140.133   24.925    112.004   25.326    31.747  2.9656  28.176  3.4263  3.570440       4.531478 
1 1 1 2   12  32 o 19.952  2.7399  58.521    14.084    65.692    19.698    51.021    20.145    21.354  3.5699  18.550  4.1575  2.804129       5.479834 
1 1 1 2   12  33 o 26.709  2.3858  102.052   16.652    106.155   23.236    97.721    23.875    27.334  3.2367  26.085  3.5060  1.248737       4.771579 
1 1 1 2   12  34 o 11.098  2.9393  14.792    11.793    14.425    16.903    15.140    16.462    11.066  4.1763  11.131  4.1373  -0.6559372E-01 5.878648 
1 1 1 2   12  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   12  36 o 12.674  2.9774  21.268    12.900    6.4014    17.926    37.234    18.577    9.8547  4.1024  15.494  4.3161  -5.638840      5.954723 
1 1 1 2   12  37 o 30.450  2.5728  138.686   20.447    152.866   28.956    124.582   28.877    32.206  3.4085  28.694  3.8549  3.512075       5.145664 
1 1 1 2   13  0  o 419.030 7.7632  23657.38  871.304   23750.50  1231.83   23564.14  1232.59   419.861 10.954  418.199 11.004  1.662018       15.52635 
1 1 1 2   13  1  o 140.498 2.9168  2646.17   109.756   2603.79   154.872   2688.92   155.567   139.367 4.1488  141.629 4.1009  -2.261353      5.833509 
1 1 1 2   13  2  o 300.902 5.6847  12177.37  458.161   12221.74  647.811   12132.97  648.064   301.453 8.0231  300.351 8.0556  1.101929       11.36938 
1 1 1 2   13  3  o 184.352 3.6540  4560.87   180.426   4571.37   255.119   4550.36   255.204   184.565 5.1606  184.140 5.1743  0.4254608      7.307910 
1 1 1 2   13  4  o 241.581 4.6579  7847.41   301.339   8038.41   426.427   7656.90   425.890   244.529 6.5107  238.634 6.6631  5.894821       9.315895 
1 1 1 2   13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   13  6  o 273.524 5.1960  10083.11  380.656   10203.94  538.768   9962.67   537.891   275.169 7.3099  271.879 7.3863  3.290344       10.39198 
1 1 1 2   13  7  o 124.610 2.7141  2084.05   90.558    2030.63   128.315   2137.05   127.824   123.015 3.8943  126.204 3.7814  -3.189407      5.428105 
1 1 1 2   13  8  o 69.685  1.9902  651.043   37.129    679.654   52.820    623.098   52.201    71.200  2.7697  68.171  2.8589  3.029137       3.980462 
1 1 1 2   13  9  o 116.996 2.6034  1837.13   81.550    1902.62   115.652   1772.36   115.009   119.074 3.6262  114.918 3.7364  4.155579       5.206705 
1 1 1 2   13  10 o 233.774 4.5586  7367.66   285.442   7361.56   403.875   7373.75   403.477   233.676 6.4527  233.872 6.4410  -0.1961823     9.117217 
1 1 1 2   13  11 o 141.049 2.9756  2672.35   112.405   2722.38   159.252   2622.67   158.678   142.368 4.1762  139.730 4.2397  2.637787       5.951134 
1 1 1 2   13  12 o 123.234 2.7104  2039.81   89.413    1961.01   126.491   2118.51   126.408   120.848 3.9078  125.619 3.7569  -4.771866      5.420810 
1 1 1 2   13  13 o 111.001 2.5780  1654.06   76.646    1644.35   108.556   1663.71   108.232   110.675 3.6620  111.326 3.6297  -0.6517181     5.156038 
1 1 1 2   13  14 o 86.965  2.2149  1014.89   51.585    996.607   73.038    1033.08   72.868    86.182  3.1640  87.748  3.1003  -1.566238      4.429821 
1 1 1 2   13  15 o 108.852 2.5314  1591.54   73.775    1645.79   104.457   1537.55   104.211   110.708 3.5227  106.996 3.6363  3.711685       5.062756 
1 1 1 2   13  16 o 104.424 2.4959  1464.95   69.808    1481.59   98.780    1448.35   98.666    105.018 3.5117  103.830 3.5478  1.187721       4.991874 
1 1 1 2   13  17 o 138.323 2.9415  2576.16   108.976   2602.80   154.106   2549.50   154.124   139.042 4.1379  137.604 4.1817  1.438705       5.882932 
1 1 1 2   13  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   13  19 o 157.318 3.3372  3349.14   140.620   3353.32   198.754   3344.94   198.978   157.418 4.7138  157.217 4.7252  0.2007751      6.674360 
1 1 1 2   13  20 o 89.539  2.3324  1080.55   55.937    1077.46   78.949    1083.67   79.266    89.410  3.2966  89.667  3.3004  -0.2568512     4.664787 
1 1 1 2   13  21 o 82.190  2.2125  911.183   48.705    898.053   68.609    924.522   69.154    81.591  3.1394  82.789  3.1186  -1.197655      4.425083 
1 1 1 2   13  22 o 48.074  1.9467  312.634   24.961    311.956   35.178    313.322   35.425    48.022  2.7463  48.125  2.7597  -0.1030045     3.893315 
1 1 1 2   13  23 o 79.222  2.2025  849.424   46.731    859.144   65.910    839.599   66.266    79.685  3.0881  78.759  3.1412  0.9255219      4.404943 
1 1 1 2   13  24 o 48.840  1.9749  323.511   25.725    317.036   36.128    330.170   36.638    48.341  2.8022  49.340  2.7837  -0.9983864     3.949857 
1 1 1 2   13  25 o 40.670  2.0142  225.886   21.668    253.545   30.678    198.348   30.610    43.215  2.6633  38.124  3.0224  5.091049       4.028397 
1 1 1 2   13  26 o 55.570  2.0704  420.587   30.684    400.167   43.218    441.340   43.570    54.187  2.9893  56.953  2.8653  -2.766666      4.140753 
1 1 1 2   13  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   13  28 o 36.993  2.0732  188.077   20.373    189.760   28.765    186.384   28.859    37.166  2.9128  36.820  2.9510  0.3461876      4.146422 
1 1 1 2   13  29 o 30.707  2.2438  131.226   17.999    153.762   25.915    110.222   25.019    33.364  2.9296  28.051  3.3993  5.313120       4.487555 
1 1 1 2   13  30 o 34.298  2.1477  163.615   19.524    164.288   27.427    162.924   27.798    34.382  3.0085  34.214  3.0658  0.1676445      4.295426 
1 1 1 2   13  31 o 10.330  2.7769  11.027    10.738    6.5547    14.871    15.899    15.523    9.4217  3.8077  11.238  4.0429  -1.816585      5.553720 
1 1 1 2   13  32 o 29.849  2.3123  126.403   18.181    128.211   25.650    124.578   25.774    30.083  3.2340  29.614  3.3057  0.4689941      4.624571 
1 1 1 2   13  33 o 25.104  2.4950  91.023    16.300    91.606    22.654    90.398    23.469    25.232  3.4419  24.977  3.6131  0.2546616      4.990066 
1 1 1 2   13  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   13  35 o 11.718  3.0738  17.912    12.836    18.324    17.849    17.471    18.473    11.757  4.3193  11.679  4.3744  0.7835579E-01  6.147514 
1 1 1 2   13  36 o 11.585  2.9517  15.936    12.577    30.779    18.469    3.1010    17.175    14.008  4.4106  9.1617  3.9237  4.846783       5.903321 
1 1 1 2   14  0  o 193.814 3.8355  5044.07   199.018   5216.89   281.173   4870.56   281.736   197.150 5.3246  190.478 5.5222  6.672287       7.671086 
1 1 1 2   14  1  o 325.305 6.1156  14265.07  532.862   14291.56  753.243   14238.52  753.917   325.610 8.6367  324.999 8.6607  0.6106873      12.23112 
1 1 1 2   14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   14  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   14  4  o 139.839 2.9249  2624.40   109.547   2591.23   154.931   2657.56   154.914   138.953 4.1628  140.724 4.1099  -1.770996      5.849780 
1 1 1 2   14  5  o 112.334 2.5371  1693.00   76.329    1668.80   108.096   1717.07   107.795   111.532 3.6185  113.136 3.5572  -1.604805      5.074136 
1 1 1 2   14  6  o 134.690 2.8807  2435.47   103.915   2402.26   147.186   2468.47   146.732   133.771 4.1078  135.608 4.0397  -1.836288      5.761394 
1 1 1 2   14  7  o 187.835 3.7385  4745.98   188.035   4621.15   266.135   4870.40   265.707   185.358 5.3605  190.313 5.2125  -4.955551      7.476943 
1 1 1 2   14  8  o 194.635 3.8607  5097.90   201.210   5247.85   285.048   4948.98   284.063   197.499 5.3884  191.770 5.5303  5.729599       7.721330 
1 1 1 2   14  9  f 96.277  2.3249  1243.51   59.946    1268.72   85.132    1218.70   84.427    97.246  3.2684  95.308  3.3072  1.938370       4.649734 
1 1 1 2   14  10 f 92.850  2.3226  1156.78   57.758    1145.06   81.888    1168.38   81.479    92.380  3.3094  93.319  3.2598  -0.9384995     4.645243 
1 1 1 2   14  11 o 80.893  2.1863  877.777   47.369    883.639   67.255    872.006   66.728    81.160  3.0938  80.625  3.0899  0.5358353      4.372556 
1 1 1 2   14  12 o 171.995 3.5319  3980.08   162.707   3952.53   230.293   4007.54   229.913   171.397 5.0164  172.593 4.9734  -1.195328      7.063877 
1 1 1 2   14  13 o 90.702  2.2915  1104.27   55.660    1083.11   78.857    1125.28   78.573    89.833  3.2773  91.570  3.2036  -1.736443      4.582954 
1 1 1 2   14  14 o 80.860  2.1696  877.638   46.972    908.966   66.616    846.659   66.243    82.298  3.0220  79.422  3.1139  2.875847       4.339256 
1 1 1 2   14  15 o 29.912  1.9546  121.186   15.470    116.840   22.005    125.432   21.752    29.370  2.8324  30.455  2.6944  -1.085556      3.909214 
1 1 1 2   14  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   14  17 f 76.359  2.1723  783.853   44.428    791.312   62.952    776.451   62.711    76.722  3.0634  75.996  3.0808  0.7255249      4.344586 
1 1 1 2   14  18 o 73.706  2.1459  731.106   42.345    704.170   59.819    758.161   59.950    72.339  3.0873  75.073  2.9814  -2.734024      4.291824 
1 1 1 2   14  19 o 99.476  2.4392  1335.09   64.989    1344.65   91.906    1325.53   91.911    99.834  3.4370  99.117  3.4620  0.7173004      4.878362 
1 1 1 2   14  20 o 26.612  2.0076  96.479    14.085    99.276    20.087    93.773    19.757    26.999  2.8192  26.226  2.8589  0.7736664      4.015111 
1 1 1 2   14  21 o 69.209  2.1036  646.887   38.991    657.303   55.089    636.431   55.194    69.773  2.9477  68.646  3.0018  1.127022       4.207160 
1 1 1 2   14  22 o 13.475  2.6563  25.317    9.9831    22.162    13.919    28.660    14.327    12.691  3.7984  14.259  3.7142  -1.568062      5.312531 
1 1 1 2   14  23 o 68.831  2.1338  641.985   39.321    662.878   55.489    620.912   55.727    69.971  2.9608  67.691  3.0736  2.279663       4.267679 
1 1 1 2   14  24 o 67.239  2.1367  613.490   38.473    627.084   54.362    599.850   54.456    67.996  2.9849  66.482  3.0581  1.513664       4.273346 
1 1 1 2   14  25 o 39.924  2.0243  217.496   21.497    222.465   30.315    212.470   30.487    40.396  2.8194  39.452  2.9055  0.9438820      4.048590 
1 1 1 2   14  26 o 22.699  2.4690  72.155    14.527    72.845    20.811    71.500    20.287    22.799  3.5214  22.599  3.4618  0.1996670      4.938079 
1 1 1 2   14  27 o 24.977  2.3459  88.071    15.068    74.494    21.744    100.613   20.900    22.968  3.6572  26.986  2.9389  -4.017929      4.691752 
1 1 1 2   14  28 f 23.104  2.4612  75.422    14.746    72.246    20.843    78.605    20.867    22.579  3.5646  23.628  3.3946  -1.049288      4.922322 
1 1 1 2   14  29 o 21.406  2.5470  65.649    14.044    58.843    19.760    72.596    19.964    20.188  3.7936  22.624  3.3997  -2.435965      5.094042 
1 1 1 2   14  30 o 7.4622  2.3554  -5.6483   9.7324    0.2017    13.972    -11.1617  13.564    8.2145  3.5291  6.7100  3.1203  1.504543       4.710737 
1 1 1 2   14  31 o 62.276  2.2262  544.060   36.986    574.146   51.915    513.049   52.706    64.171  3.0204  60.381  3.2711  3.790604       4.452313 
1 1 1 2   14  32 o 34.153  2.2633  165.159   20.305    141.907   28.201    190.189   29.260    31.526  3.3932  36.781  2.9961  -5.254398      4.526628 
1 1 1 2   14  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   14  34 o 7.2415  2.3359  -9.9439   10.515    -21.9201  15.645    -0.0760   14.201    6.3594  3.0671  8.1235  3.5240  -1.764075      4.671790 
1 1 1 2   14  35 o 20.793  2.9605  70.119    16.240    105.122   22.915    34.796    23.019    26.818  3.2569  14.768  4.9446  12.04912       5.920906 
1 1 1 2   15  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   15  1  f 285.731 5.4034  11012.08  413.450   11265.72  584.526   10758.12  584.887   289.047 7.5500  282.414 7.7321  6.633789       10.80682 
1 1 1 2   15  2  o 138.453 2.9276  2572.92   108.558   2524.50   153.225   2621.73   153.826   137.142 4.1713  139.763 4.1091  -2.620758      5.855288 
1 1 1 2   15  3  o 236.843 4.6157  7556.66   292.777   7424.25   413.833   7689.34   414.264   234.754 6.5815  238.931 6.4731  -4.177307      9.231330 
1 1 1 2   15  4  o 130.774 2.8424  2295.88   99.549    2252.12   140.739   2339.69   140.829   129.524 4.0567  132.024 3.9825  -2.499695      5.684790 
1 1 1 2   15  5  o 135.255 2.8773  2456.15   104.239   2463.49   147.602   2448.84   147.230   135.457 4.0682  135.053 4.0701  0.4034119      5.754632 
1 1 1 2   15  6  o 67.472  1.9800  610.399   35.782    619.072   50.848    601.892   50.362    67.947  2.7939  66.997  2.8064  0.9497910      3.960048 
1 1 1 2   15  7  o 130.555 2.8403  2288.74   99.320    2291.14   140.766   2286.36   140.155   130.623 4.0234  130.487 4.0101  0.1353607      5.680519 
1 1 1 2   15  8  o 205.509 4.0816  5688.14   224.666   5752.91   318.183   5623.75   317.269   206.681 5.7476  204.338 5.7968  2.343155       8.163230 
1 1 1 2   15  9  o 164.044 3.3569  3618.22   147.488   3579.54   208.843   3656.71   208.317   163.165 4.7787  164.923 4.7158  -1.757874      6.713741 
1 1 1 2   15  10 o 115.982 2.6037  1806.03   80.858    1866.45   114.725   1746.39   113.979   117.913 3.6325  114.050 3.7311  3.862839       5.207326 
1 1 1 2   15  11 o 155.333 3.2448  3244.62   134.991   3301.72   191.260   3187.95   190.553   156.699 4.5569  153.967 4.6206  2.731949       6.489634 
1 1 1 2   15  12 o 61.366  1.9801  505.110   32.541    517.539   46.291    492.968   45.753    62.112  2.7825  60.619  2.8179  1.493675       3.960117 
1 1 1 2   15  13 o 22.671  2.2450  71.143    13.037    57.931    18.572    83.977    18.304    20.481  3.5120  24.860  2.7975  -4.379793      4.490020 
1 1 1 2   15  14 o 185.375 3.7352  4641.64   185.393   4794.21   262.542   4489.90   261.830   188.437 5.2017  182.312 5.3619  6.124588       7.470409 
1 1 1 2   15  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   15  16 o 82.760  2.2272  921.294   49.366    938.726   69.971    904.017   69.659    83.542  3.1270  81.978  3.1724  1.564163       4.454485 
1 1 1 2   15  17 o 147.072 3.1640  2928.41   124.631   2968.20   176.345   2888.70   176.165   148.080 4.4461  146.064 4.5029  2.016357       6.327990 
1 1 1 2   15  18 o 47.065  1.9609  299.197   24.604    308.489   34.967    290.086   34.626    47.796  2.7429  46.335  2.8032  1.461094       3.921877 
1 1 1 2   15  19 o 43.698  1.9375  258.338   22.557    252.036   31.900    264.641   31.901    43.157  2.7744  44.238  2.7053  -1.081215      3.874983 
1 1 1 2   15  20 o 50.978  1.9761  351.734   26.880    352.228   38.019    351.240   38.008    51.014  2.7930  50.942  2.7963  0.7254410E-01  3.952210 
1 1 1 2   15  21 o 30.331  1.9815  125.343   15.912    124.908   22.721    125.762   22.291    30.273  2.8352  30.390  2.7689  -0.1165524     3.962954 
1 1 1 2   15  22 o 36.929  1.9697  185.482   19.336    183.299   27.442    187.635   27.251    36.706  2.8126  37.151  2.7582  -0.4449387     3.939347 
1 1 1 2   15  23 o 32.799  2.0183  146.904   17.545    142.749   24.912    150.994   24.713    32.323  2.9086  33.274  2.7989  -0.9511948     4.036520 
1 1 1 2   15  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   15  25 o 35.415  2.0926  172.178   19.650    178.836   27.654    165.388   27.926    36.133  2.8813  34.696  3.0355  1.436417       4.185224 
1 1 1 2   15  26 o 12.285  2.9201  19.936    11.355    21.446    16.357    18.531    15.776    12.619  4.1661  11.951  4.0929  0.6676559      5.840222 
1 1 1 2   15  27 o 25.394  2.3908  91.272    15.529    111.271   22.146    71.924    21.782    28.329  2.9624  22.460  3.7533  5.869114       4.781560 
1 1 1 2   15  28 o 31.733  2.1941  140.499   18.402    145.244   26.043    135.768   26.004    32.295  3.0468  31.171  3.1582  1.124365       4.388277 
1 1 1 2   15  29 o 22.426  2.5685  72.631    14.795    83.569    21.044    61.942    20.804    24.255  3.3269  20.597  3.9142  3.658287       5.137049 
1 1 1 2   15  30 o 59.176  2.1986  490.459   34.718    498.945   48.918    481.847   49.282    59.727  3.0681  58.625  3.1500  1.101925       4.397271 
1 1 1 2   15  31 o 17.416  2.8550  46.676    14.031    71.204    19.567    20.712    20.131    22.239  3.3922  12.593  4.5931  9.645944       5.709974 
1 1 1 2   15  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   15  33 o 18.006  3.0927  50.162    14.768    50.213    20.936    50.111    20.834    18.011  4.3816  18.000  4.3660  0.1115417E-01  6.185478 
1 1 1 2   15  34 o 15.139  3.2223  36.149    14.531    46.604    20.670    25.936    20.431    17.110  4.4635  13.168  4.6486  3.942267       6.444572 
1 1 1 2   16  0  o 146.839 3.0201  2894.83   118.773   2842.32   167.418   2948.04   168.527   145.496 4.2960  148.182 4.2461  -2.685577      6.040242 
1 1 1 2   16  1  o 66.422  1.9847  591.999   35.276    618.175   49.721    565.468   50.057    67.903  2.7338  64.940  2.8778  2.963051       3.969304 
1 1 1 2   16  2  o 80.959  2.1368  879.307   46.319    903.291   65.316    855.044   65.695    82.072  2.9712  79.847  3.0718  2.225571       4.273643 
1 1 1 2   16  3  o 180.660 3.6820  4389.58   178.170   4409.73   251.878   4369.39   252.064   181.077 5.1932  180.243 5.2211  0.8342590      7.364084 
1 1 1 2   16  4  o 77.816  2.1099  812.140   43.975    817.284   62.117    806.971   62.263    78.063  2.9708  77.568  2.9968  0.4950333      4.219788 
1 1 1 2   16  5  o 185.967 3.7420  4653.25   186.393   4630.89   263.710   4675.57   263.490   185.518 5.3070  186.416 5.2771  -0.8976898     7.484100 
1 1 1 2   16  6  o 102.397 2.4690  1407.09   67.714    1424.62   96.024    1389.76   95.504    103.032 3.4795  101.762 3.5038  1.269760       4.937996 
1 1 1 2   16  7  o 113.200 2.5954  1720.16   78.693    1717.55   111.574   1722.75   111.005   113.114 3.6827  113.286 3.6583  -0.1729126     5.190845 
1 1 1 2   16  8  o 154.184 3.2221  3195.80   133.057   3166.60   188.506   3224.79   187.839   153.479 4.5855  154.890 4.5277  -1.410995      6.444113 
1 1 1 2   16  9  o 116.015 2.6683  1807.40   82.912    1830.81   117.643   1784.29   116.871   116.763 3.7616  115.268 3.7854  1.494720       5.336551 
1 1 1 2   16  10 o 102.223 2.4389  1402.86   66.773    1428.27   94.809    1377.85   94.058    103.143 3.4318  101.303 3.4665  1.839203       4.877867 
1 1 1 2   16  11 o 150.773 3.1484  3058.90   127.145   3044.57   180.093   3073.13   179.528   150.418 4.4700  151.128 4.4351  -0.7093353     6.296880 
1 1 1 2   16  12 o 212.023 4.1864  6079.89   237.744   6109.25   336.563   6050.66   335.879   212.537 5.9121  211.510 5.9288  1.027420       8.372764 
1 1 1 2   16  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   16  14 o 50.303  1.9739  340.979   26.486    349.358   37.573    332.704   37.342    50.922  2.7652  49.684  2.8177  1.237984       3.947816 
1 1 1 2   16  15 o 86.184  2.2847  999.832   52.740    1003.22   74.776    996.473   74.396    86.330  3.2338  86.039  3.2282  0.2902145      4.569346 
1 1 1 2   16  16 o 133.616 2.9029  2415.48   103.870   2359.89   146.938   2471.01   146.849   132.063 4.1540  135.169 4.0561  -3.105835      5.805792 
1 1 1 2   16  17 o 40.888  1.9586  226.083   21.319    232.261   30.490    220.172   29.820    41.438  2.7629  40.338  2.7769  1.099747       3.917253 
1 1 1 2   16  18 o 75.297  2.1633  765.544   43.629    770.408   61.849    760.727   61.554    75.535  3.0570  75.058  3.0618  0.4770203      4.326622 
1 1 1 2   16  19 o 99.660  2.5007  1347.31   66.751    1356.62   94.464    1338.04   94.337    100.007 3.5265  99.313  3.5464  0.6943283      5.001342 
1 1 1 2   16  20 o 67.533  2.1007  617.109   37.987    637.578   53.926    596.948   53.519    68.653  2.9326  66.412  3.0086  2.240883       4.201428 
1 1 1 2   16  21 o 37.220  2.0026  188.785   19.778    177.068   28.054    200.362   27.886    36.043  2.9314  38.397  2.7292  -2.354553      4.005186 
1 1 1 2   16  22 o 18.995  2.5800  50.878    12.639    56.492    18.049    45.475    17.706    20.083  3.4815  17.908  3.8085  2.174950       5.159971 
1 1 1 2   16  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   16  24 o 16.501  2.7171  38.832    11.831    45.986    17.167    32.360    16.328    17.970  3.6901  15.031  3.9892  2.938733       5.434207 
1 1 1 2   16  25 o 35.194  2.1292  170.889   19.839    159.385   28.021    182.451   28.092    33.962  3.1151  36.425  2.9034  -2.463123      4.258337 
1 1 1 2   16  26 o 9.8668  2.7190  7.8763    10.524    14.388    15.579    2.4113    14.273    11.050  4.0390  8.6834  3.6413  2.366674       5.438059 
1 1 1 2   16  27 o 36.323  2.1621  183.636   20.831    180.846   29.720    186.331   29.206    36.027  3.1104  36.620  3.0041  -0.5929909     4.324276 
1 1 1 2   16  28 o 55.411  2.1720  427.951   32.101    415.842   45.280    440.186   45.517    54.595  3.1094  56.228  3.0335  -1.633595      4.343984 
1 1 1 2   16  29 f 51.354  2.1999  370.083   30.051    394.724   42.362    345.124   42.635    53.171  2.9866  49.536  3.2310  3.634655       4.399897 
1 1 1 2   16  30 o 15.853  3.0969  37.756    13.731    45.326    19.718    30.628    19.132    17.338  4.2734  14.368  4.4835  2.969574       6.193843 
1 1 1 2   16  31 o 8.7776  4.2493  -41.9478  30.713    0.0000    0.0000    -41.9478  30.713    ?       ?       8.7776  4.2493  ?              ?        
1 1 1 2   16  32 o 8.1960  2.5519  -2.4525   10.926    1.7023    15.878    -6.1889   15.057    8.7902  3.7689  7.6018  3.4416  1.188440       5.103807 
1 1 1 2   16  33 o 13.144  3.1670  26.088    13.410    29.317    19.014    22.893    18.916    13.749  4.4896  12.540  4.4680  1.209014       6.333953 
1 1 1 2   17  0  o 23.344  1.9576  74.648    11.811    88.641    16.774    60.889    16.634    25.595  2.4778  21.092  3.0314  4.502668       3.915154 
1 1 1 2   17  1  o 171.210 3.4656  3940.97   158.921   3899.25   224.246   3983.06   225.254   170.298 4.9162  172.122 4.8859  -1.824402      6.931159 
1 1 1 2   17  2  o 54.647  1.8868  400.382   27.615    392.928   38.906    407.950   39.202    54.134  2.6832  55.159  2.6534  -1.025822      3.773627 
1 1 1 2   17  3  o 145.117 3.0883  2830.21   119.967   2711.08   169.321   2950.30   170.000   142.041 4.4505  148.193 4.2828  -6.152542      6.176529 
1 1 1 2   17  4  o 41.069  1.8784  227.233   20.536    236.911   29.012    217.514   29.072    41.955  2.5944  40.184  2.7170  1.771336       3.756735 
1 1 1 2   17  5  o 50.927  1.9525  348.947   26.515    333.701   37.440    364.286   37.555    49.803  2.8182  52.051  2.7030  -2.248158      3.904923 
1 1 1 2   17  6  o 84.902  2.2151  967.458   50.352    936.438   71.337    998.254   71.080    83.543  3.1880  86.262  3.0764  -2.718773      4.430279 
1 1 1 2   17  7  o 140.962 3.0423  2671.40   114.825   2595.04   162.648   2747.27   162.126   138.945 4.3703  142.979 4.2334  -4.033630      6.084556 
1 1 1 2   17  8  o 85.699  2.2748  985.861   52.211    973.469   74.109    998.073   73.568    85.163  3.2489  86.236  3.1850  -1.073212      4.549679 
1 1 1 2   17  9  o 14.175  2.5873  28.066    10.137    19.380    14.462    36.456    14.213    12.174  3.9104  16.176  3.3889  -4.001666      5.174592 
1 1 1 2   17  10 o 74.610  2.1109  747.253   42.182    759.586   59.955    735.164   59.360    75.220  2.9758  74.000  2.9948  1.220276       4.221887 
1 1 1 2   17  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   17  12 o 129.934 2.8963  2275.62   100.795   2258.66   142.840   2292.44   142.254   129.447 4.1197  130.421 4.0722  -0.9740448     5.792661 
1 1 1 2   17  13 o 93.960  2.3821  1190.35   59.817    1101.67   84.717    1278.52   84.472    90.445  3.4970  97.474  3.2355  -7.028320      4.764170 
1 1 1 2   17  14 o 62.154  2.0096  519.834   33.445    507.152   47.455    532.351   47.144    61.396  2.8857  62.912  2.7977  -1.515472      4.019262 
1 1 1 2   17  15 f 40.635  1.9313  223.205   20.861    240.636   29.813    206.481   29.202    42.207  2.6505  39.063  2.8098  3.144630       3.862658 
1 1 1 2   17  16 o 93.611  2.3553  1184.04   59.054    1198.30   83.700    1169.90   83.330    94.175  3.3182  93.046  3.3436  1.128838       4.710632 
1 1 1 2   17  17 o 50.633  1.9663  347.098   26.541    330.641   37.555    363.517   37.513    49.417  2.8494  51.850  2.7105  -2.432178      3.932667 
1 1 1 2   17  18 o 75.437  2.1989  770.125   44.430    776.093   63.003    764.221   62.664    75.729  3.1061  75.145  3.1134  0.5832748      4.397811 
1 1 1 2   17  19 o 45.790  1.9767  284.539   24.121    282.107   34.411    286.889   33.822    45.589  2.8320  45.991  2.7583  -0.4018593     3.953303 
1 1 1 2   17  20 o 66.995  2.1031  608.376   37.736    619.332   53.511    597.536   53.225    67.600  2.9553  66.390  2.9931  1.210289       4.206274 
1 1 1 2   17  21 o 27.335  2.1924  102.957   15.713    111.961   22.286    94.057    22.158    28.572  2.9548  26.097  3.2396  2.474937       4.384748 
1 1 1 2   17  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   17  23 o 36.885  2.0734  186.738   20.308    182.221   28.809    191.199   28.632    36.425  2.9790  37.345  2.8847  -0.9201851     4.146800 
1 1 1 2   17  24 o 20.445  2.6805  60.060    14.056    47.312    19.723    73.217    20.036    18.063  4.1620  22.827  3.3791  -4.764063      5.361013 
1 1 1 2   17  25 o 31.139  2.1972  134.935   18.064    129.960   25.688    139.802   25.406    30.536  3.1877  31.742  3.0248  -1.205858      4.394407 
1 1 1 2   17  26 o 11.649  2.8351  17.282    11.030    24.310    15.603    10.262    15.594    13.058  4.0447  10.241  3.9739  2.817376       5.670220 
1 1 1 2   17  27 o 45.425  2.1641  287.944   26.173    289.944   37.367    286.017   36.671    45.569  3.0796  45.281  3.0412  0.2880287      4.328143 
1 1 1 2   17  28 o 27.246  2.3843  106.244   16.848    91.284    23.835    121.183   23.818    25.163  3.6423  29.329  3.0778  -4.165993      4.768536 
1 1 1 2   17  29 o 22.883  2.6463  76.283    15.558    88.823    22.423    64.641    21.604    24.861  3.4613  20.906  4.0040  3.954586       5.292676 
1 1 1 2   17  30 o 13.589  3.0804  26.310    13.139    37.032    19.004    16.491    18.186    15.596  4.3728  11.583  4.3400  4.012604       6.160885 
1 1 1 2   17  31 o 21.888  2.8504  72.732    15.928    94.450    22.905    52.395    22.164    25.459  3.4476  18.318  4.5402  7.140926       5.700828 
1 1 1 2   18  0  o 117.613 2.6127  1857.11   82.298    1877.33   115.967   1836.59   116.811   118.261 3.6610  116.965 3.7285  1.295380       5.225444 
1 1 1 2   18  1  o 128.741 2.8147  2226.19   97.041    2263.82   136.829   2188.12   137.648   129.840 3.9344  127.643 4.0261  2.197220       5.629329 
1 1 1 2   18  2  o 138.003 2.9554  2558.35   109.243   2551.33   154.163   2565.43   154.824   137.813 4.1764  138.192 4.1828  -0.3793793     5.910832 
1 1 1 2   18  3  o 174.531 3.5465  4098.14   165.781   4146.25   234.255   4049.86   234.645   175.562 4.9816  173.499 5.0492  2.063187       7.093026 
1 1 1 2   18  4  o 171.227 3.4979  3944.88   160.397   4027.32   226.857   3862.47   226.815   173.024 4.8950  169.430 4.9980  3.594238       6.995780 
1 1 1 2   18  5  o 119.581 2.6802  1920.55   85.845    1915.69   121.425   1925.40   121.382   119.430 3.7958  119.733 3.7849  -0.3030853     5.360379 
1 1 1 2   18  6  o 88.921  2.2609  1062.78   53.724    978.351   75.899    1147.56   76.055    85.369  3.3193  92.473  3.0706  -7.103874      4.521777 
1 1 1 2   18  7  o 127.004 2.8166  2168.42   95.804    2208.86   135.813   2128.35   135.164   128.186 3.9556  125.821 4.0107  2.364479       5.633139 
1 1 1 2   18  8  o 86.043  2.2743  994.290   52.414    1002.10   74.403    986.599   73.848    86.379  3.2159  85.708  3.2168  0.6706772      4.548592 
1 1 1 2   18  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   18  10 o 99.748  2.4680  1338.49   65.923    1377.81   93.679    1299.92   92.785    101.204 3.4559  98.293  3.5243  2.910957       4.935930 
1 1 1 2   18  11 o 35.700  1.9609  172.354   18.595    169.215   26.510    175.394   26.090    35.372  2.8215  36.028  2.7237  -0.6559830     3.921700 
1 1 1 2   18  12 o 89.580  2.3373  1081.00   56.074    1067.74   79.620    1094.04   78.984    89.029  3.3389  90.130  3.2718  -1.100563      4.674676 
1 1 1 2   18  13 o 72.605  2.1502  710.088   41.814    710.787   59.397    709.400   58.875    72.638  3.0529  72.571  3.0289  0.6758881E-01  4.300483 
1 1 1 2   18  14 o 42.040  1.9306  239.197   21.603    230.525   30.745    247.654   30.362    41.274  2.7976  42.807  2.6612  -1.533127      3.861143 
1 1 1 2   18  15 o 75.177  2.1719  763.234   43.730    761.956   62.173    764.486   61.520    75.111  3.0904  75.243  3.0525  -0.1323318     4.343780 
1 1 1 2   18  16 o 39.148  1.9637  207.737   20.409    226.942   29.307    189.653   28.438    40.928  2.6883  37.368  2.8630  3.559456       3.927343 
1 1 1 2   18  17 o 43.112  1.9544  252.045   22.444    259.839   31.966    244.467   31.519    43.776  2.7401  42.447  2.7877  1.328960       3.908894 
1 1 1 2   18  18 o 22.036  2.2947  67.372    13.103    65.271    19.036    69.264    18.063    21.670  3.3907  22.402  3.0928  -0.7317142     4.589345 
1 1 1 2   18  19 o 52.885  2.0288  380.012   28.629    385.629   40.808    374.567   40.174    53.270  2.8706  52.499  2.8678  0.7708778      4.057689 
1 1 1 2   18  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   18  21 o 31.753  2.1452  138.575   18.020    141.883   25.722    135.386   25.253    32.131  3.0244  31.376  3.0431  0.7555656      4.290390 
1 1 1 2   18  22 o 31.125  2.1823  133.786   17.947    137.482   25.364    130.081   25.399    31.575  3.0365  30.676  3.1352  0.8984852      4.364674 
1 1 1 2   18  23 o 25.674  2.4053  92.496    16.115    89.717    23.051    95.152    22.537    25.257  3.5016  26.090  3.2986  -0.8337536     4.810654 
1 1 1 2   18  24 o 32.792  2.1818  149.815   18.881    139.186   26.893    160.146   26.514    31.578  3.2247  34.005  2.9399  -2.426712      4.363691 
1 1 1 2   18  25 o 23.059  2.5930  76.181    15.471    78.542    22.328    74.001    21.456    23.401  3.6840  22.716  3.6500  0.6859360      5.185989 
1 1 1 2   18  26 o 15.552  3.0021  35.760    13.000    28.679    18.110    43.289    18.673    14.031  4.3594  17.073  4.1286  -3.041978      6.004178 
1 1 1 2   18  27 o 16.624  3.0329  41.713    13.676    36.000    19.828    46.897    18.888    15.491  4.5070  17.757  4.0596  -2.265712      6.065733 
1 1 1 2   18  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   18  29 o 11.610  2.8625  15.824    12.062    1.2937    17.179    29.955    16.941    9.0926  3.9100  14.128  4.1820  -5.034939      5.725080 
1 1 1 2   18  30 o 9.0489  2.6833  2.8725    11.133    10.040    16.426    -3.2159   15.140    10.136  4.0343  7.9618  3.5392  2.174063       5.366688 
1 1 1 2   19  0  o 51.027  1.8861  349.871   25.708    363.684   36.268    335.922   36.446    52.079  2.6000  49.974  2.7331  2.104782       3.772276 
1 1 1 2   19  1  f 86.368  2.2043  1000.83   50.972    963.303   71.739    1039.08   72.436    84.731  3.1610  88.005  3.0730  -3.274170      4.408533 
1 1 1 2   19  2  o 129.439 2.8251  2250.89   97.936    2208.61   138.131   2293.63   138.878   128.214 4.0222  130.665 3.9681  -2.450180      5.650157 
1 1 1 2   19  3  o 152.912 3.1957  3144.96   130.884   3163.72   184.826   3126.08   185.372   153.372 4.4991  152.452 4.5396  0.9210052      6.391439 
1 1 1 2   19  4  o 130.794 2.9113  2299.94   101.983   2264.43   143.984   2335.68   144.468   129.778 4.1421  131.810 4.0920  -2.032227      5.822514 
1 1 1 2   19  5  o 200.311 3.9980  5417.34   214.496   5478.65   303.410   5356.08   303.276   201.453 5.6230  199.170 5.6849  2.283752       7.996029 
1 1 1 2   19  6  o 90.715  2.3095  1105.69   56.100    1074.53   79.330    1136.86   79.344    89.432  3.3117  91.997  3.2200  -2.564911      4.619083 
1 1 1 2   19  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   19  8  o 164.008 3.4169  3634.40   150.101   3623.45   212.625   3645.29   211.927   163.757 4.8476  164.259 4.8169  -0.5019989     6.833851 
1 1 1 2   19  9  o 210.432 4.2523  6025.82   239.621   6188.84   339.479   5863.96   338.275   213.308 5.9418  207.556 6.0848  5.752136       8.504663 
1 1 1 2   19  10 o 127.286 2.8516  2188.27   97.177    2274.65   137.986   2103.27   136.878   129.795 3.9691  124.777 4.0955  5.017891       5.703241 
1 1 1 2   19  11 o 52.884  1.9871  377.015   28.023    409.280   40.008    345.938   39.265    55.157  2.7080  50.610  2.9087  4.547207       3.974190 
1 1 1 2   19  12 o 28.854  2.0435  113.096   15.510    127.226   22.430    100.149   21.470    30.614  2.7652  27.093  3.0094  3.520672       4.086926 
1 1 1 2   19  13 o 82.118  2.2921  911.385   50.404    896.727   71.625    925.765   70.943    81.455  3.2829  82.782  3.1995  -1.327225      4.584156 
1 1 1 2   19  14 f 76.922  2.2219  800.368   45.761    778.829   64.940    821.612   64.493    75.881  3.1951  77.963  3.0884  -2.081635      4.443779 
1 1 1 2   19  15 o 9.7862  2.5429  9.3780    8.9876    3.8215    12.329    15.680    13.130    8.4803  3.4526  11.092  3.7343  -2.611911      5.085777 
1 1 1 2   19  16 o 33.932  2.0229  156.916   18.086    180.253   25.984    134.986   25.189    36.432  2.6816  31.433  3.0293  4.999487       4.045734 
1 1 1 2   19  17 o 43.406  2.0110  256.243   23.242    250.339   33.044    262.024   32.698    42.898  2.8927  43.914  2.7944  -1.016361      4.022032 
1 1 1 2   19  18 o 28.875  2.1529  114.650   16.357    106.791   23.231    122.376   23.033    27.852  3.1705  29.898  2.9133  -2.045532      4.305746 
1 1 1 2   19  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   19  20 o 40.868  2.0959  229.263   22.742    217.270   32.509    240.758   31.826    39.780  3.0749  41.957  2.8488  -2.177605      4.191774 
1 1 1 2   19  21 o 21.465  2.6216  67.477    14.033    98.329    20.112    38.207    19.589    26.692  2.8575  16.239  4.3961  10.45295       5.243175 
1 1 1 2   19  22 o 34.316  2.1836  163.241   19.833    171.508   28.048    154.973   28.047    35.223  3.0015  33.409  3.1723  1.814178       4.367273 
1 1 1 2   19  23 o 16.366  2.8635  39.226    12.479    38.920    18.023    39.508    17.294    16.290  4.1262  16.442  3.9716  -0.1522274     5.727074 
1 1 1 2   19  24 o 37.904  2.2027  201.009   21.991    230.631   31.444    172.646   30.768    40.762  2.8989  35.045  3.3173  5.716530       4.405431 
1 1 1 2   19  25 o 43.056  2.1977  259.887   25.107    241.106   35.643    278.385   35.373    41.424  3.2382  44.689  2.9721  -3.264668      4.395357 
1 1 1 2   19  26 o 36.760  2.2421  190.297   21.848    197.891   31.061    182.862   30.738    37.520  3.1191  36.001  3.2216  1.518166       4.484150 
1 1 1 2   19  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   19  28 o 13.453  3.0156  24.352    13.431    42.348    19.370    7.6869    18.640    16.647  4.3103  10.259  4.2187  6.388189       6.031246 
1 1 1 2   19  29 o 14.229  3.0026  30.229    12.927    43.318    18.608    18.021    17.971    16.762  4.1633  11.697  4.3276  5.065706       6.005145 
1 1 1 2   20  0  o 149.445 3.1122  3003.47   124.574   2991.40   175.559   3015.72   176.796   149.143 4.3947  149.746 4.4079  -0.6033783     6.224385 
1 1 1 2   20  1  o 74.107  2.0998  736.933   41.679    728.355   58.658    745.681   59.232    73.672  2.9726  74.543  2.9666  -0.8713913     4.199664 
1 1 1 2   20  2  o 76.115  2.1073  777.588   42.962    774.784   60.501    780.439   61.017    75.977  2.9730  76.253  2.9875  -0.2759476     4.214690 
1 1 1 2   20  3  f 71.179  2.1021  680.277   40.072    691.906   56.595    668.587   56.746    71.791  2.9432  70.568  3.0022  1.223564       4.204225 
1 1 1 2   20  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   20  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   20  6  o 164.031 3.3697  3636.32   148.036   3577.66   209.375   3694.96   209.334   162.696 4.8046  165.366 4.7261  -2.670227      6.739487 
1 1 1 2   20  7  o 67.792  2.0580  617.868   37.370    617.115   52.904    618.618   52.793    67.750  2.9154  67.833  2.9056  -0.8332062E-01 4.116087 
1 1 1 2   20  8  o 34.872  1.9573  164.468   18.103    176.936   25.919    152.595   25.294    36.179  2.6940  33.565  2.8401  2.614330       3.914592 
1 1 1 2   20  9  o 44.670  1.9586  269.626   23.305    259.404   32.973    279.830   32.943    43.813  2.8248  45.527  2.7138  -1.714165      3.917158 
1 1 1 2   20  10 o 83.611  2.2812  943.206   51.084    956.246   72.633    930.441   71.861    84.183  3.2212  83.038  3.2309  1.145508       4.562356 
1 1 1 2   20  11 o 102.700 2.5457  1427.90   70.003    1477.59   99.420    1379.04   98.584    104.487 3.5524  100.913 3.6473  3.573196       5.091394 
1 1 1 2   20  12 o 27.573  2.0954  103.823   15.229    103.786   21.752    103.859   21.328    27.562  2.9947  27.583  2.9317  -0.2110291E-01 4.190835 
1 1 1 2   20  13 o 16.564  2.5607  38.513    11.026    41.379    16.222    36.052    15.032    17.140  3.6456  15.988  3.5972  1.152288       5.121483 
1 1 1 2   20  14 f 51.011  2.0259  353.275   27.534    334.769   39.061    371.551   38.817    49.658  2.9500  52.363  2.7776  -2.704823      4.051814 
1 1 1 2   20  15 o 25.250  2.1959  87.671    14.534    88.977    20.844    86.435    20.276    25.431  3.1258  25.068  3.0849  0.3624458      4.391718 
1 1 1 2   20  16 o 15.909  2.6737  36.386    11.941    17.101    17.009    55.127    16.767    11.931  4.2383  19.888  3.2607  -7.956744      5.347475 
1 1 1 2   20  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   20  18 o 87.248  2.4019  1042.45   56.040    1116.94   79.709    969.628   78.805    90.389  3.2923  84.107  3.4981  6.281868       4.803745 
1 1 1 2   20  19 o 23.595  2.4181  77.934    14.836    78.975    21.119    76.919    20.846    23.754  3.4178  23.436  3.4217  0.3174381      4.836223 
1 1 1 2   20  20 o 32.888  2.1640  149.553   18.840    149.039   26.896    150.049   26.398    32.821  3.0961  32.956  3.0242  -0.1358414     4.328026 
1 1 1 2   20  21 o 35.948  2.1588  179.674   20.496    163.699   29.243    195.099   28.736    34.294  3.2213  37.602  2.8750  -3.307613      4.317676 
1 1 1 2   20  22 o 17.505  2.9073  45.530    13.580    33.883    19.455    56.598    18.964    15.205  4.4762  19.806  3.7112  -4.601175      5.814546 
1 1 1 2   20  23 o 31.958  2.2684  143.381   19.069    160.254   27.460    127.665   26.502    33.854  3.0615  30.062  3.3483  3.791866       4.536892 
1 1 1 2   20  24 o 23.958  2.5691  82.802    15.902    74.496    22.424    91.207    22.556    22.632  3.8360  25.283  3.4184  -2.650818      5.138109 
1 1 1 2   20  25 o 17.652  3.0040  47.371    14.582    28.847    20.773    65.366    20.474    14.130  4.6964  21.175  3.7471  -7.045285      6.008032 
1 1 1 2   20  26 o 31.001  2.4889  138.792   19.977    114.440   28.164    163.449   28.340    28.016  3.8553  33.986  3.1489  -5.969891      4.977862 
1 1 1 2   20  27 f 18.120  3.0244  49.910    15.217    75.520    22.140    26.977    20.950    22.609  3.7901  13.630  4.7142  8.978337       6.048831 
1 1 1 2   20  28 o 21.660  2.9244  71.751    16.317    82.482    23.376    61.553    22.787    23.447  3.8563  19.873  4.3974  3.573612       5.848743 
1 1 1 2   21  0  o 34.126  1.9262  157.260   17.455    152.568   24.527    162.075   24.847    33.604  2.7490  34.647  2.6987  -1.043236      3.852327 
1 1 1 2   21  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   21  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   21  3  o 31.586  2.0595  135.191   17.201    144.544   24.525    126.136   24.131    32.681  2.8296  30.492  2.9933  2.189152       4.119026 
1 1 1 2   21  4  o 167.274 3.4941  3787.32   156.518   3695.99   221.010   3879.21   221.691   165.232 4.9938  169.316 4.8883  -4.084076      6.988116 
1 1 1 2   21  5  o 73.027  2.1254  717.372   41.571    705.693   58.635    729.175   58.946    72.427  3.0225  73.626  2.9890  -1.198784      4.250872 
1 1 1 2   21  6  o 48.822  1.9410  321.589   25.277    317.376   35.768    325.793   35.728    48.499  2.7649  49.145  2.7248  -0.6461525     3.881931 
1 1 1 2   21  7  o 67.192  2.1074  608.159   37.926    603.112   53.767    613.158   53.506    66.912  3.0000  67.472  2.9606  -0.5600357     4.214885 
1 1 1 2   21  8  o 90.807  2.3535  1113.49   57.242    1106.62   81.142    1120.29   80.763    90.524  3.3465  91.090  3.3102  -0.5658112     4.707067 
1 1 1 2   21  9  o 27.439  2.0400  102.648   14.766    101.610   20.971    103.669   20.795    27.295  2.9135  27.582  2.8561  -0.2875099     4.079924 
1 1 1 2   21  10 o 40.229  1.9918  219.623   21.239    244.495   30.341    195.727   29.740    42.499  2.6791  37.960  2.9482  4.538952       3.983634 
1 1 1 2   21  11 o 64.940  2.1072  570.324   36.583    616.732   52.140    525.329   51.340    67.563  2.8812  62.318  3.0758  5.245380       4.214478 
1 1 1 2   21  12 o 43.274  1.9885  254.123   22.923    255.204   32.626    253.069   32.213    43.363  2.8245  43.186  2.7999  0.1774025      3.977083 
1 1 1 2   21  13 o 56.521  2.0525  433.462   30.966    440.730   44.076    426.378   43.514    56.991  2.8969  56.050  2.9084  0.9407845      4.105031 
1 1 1 2   21  14 o 14.083  2.7757  27.913    10.893    25.119    15.377    30.726    15.433    13.441  3.9855  14.725  3.8643  -1.284669      5.551360 
1 1 1 2   21  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   21  16 f 10.954  2.7237  12.652    10.622    23.549    15.169    2.1670    14.879    13.033  3.9799  8.8749  3.7195  4.158061       5.447423 
1 1 1 2   21  17 o 37.495  2.1117  192.973   21.027    190.728   29.931    195.160   29.545    37.266  3.0247  37.723  2.9475  -0.4566536     4.223307 
1 1 1 2   21  18 o 34.810  2.2148  167.587   20.394    158.612   29.013    176.354   28.674    33.844  3.2400  35.776  3.0205  -1.932091      4.429615 
1 1 1 2   21  19 o 33.961  2.2456  161.170   20.005    142.002   28.760    179.139   27.845    31.881  3.4215  36.041  2.9093  -4.160017      4.491164 
1 1 1 2   21  20 o 59.082  2.2026  483.359   34.732    482.018   49.304    484.681   48.934    58.990  3.1317  59.174  3.0982  -0.1839676     4.405239 
1 1 1 2   21  21 o 12.756  2.8243  21.126    11.900    36.525    16.796    5.6036    16.863    15.766  3.9776  9.7454  4.0107  6.020829       5.648609 
1 1 1 2   21  22 o 21.879  2.7991  70.032    15.735    81.172    22.441    59.258    22.069    23.763  3.6418  19.995  4.2517  3.768499       5.598140 
1 1 1 2   21  23 o 24.675  2.6622  88.064    17.009    94.812    24.319    81.603    23.798    25.676  3.6380  23.675  3.8879  2.000494       5.324482 
1 1 1 2   21  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   21  25 o 18.270  3.0420  51.008    14.815    39.240    21.067    62.523    20.838    16.009  4.6423  20.531  3.9325  -4.522114      6.084015 
1 1 1 2   21  26 o 11.223  2.9934  13.060    13.008    25.323    18.622    1.3749    18.179    13.159  4.4472  9.2874  4.0079  3.871314       5.986732 
1 1 1 2   22  0  o 89.505  2.2825  1077.26   54.715    1055.41   76.954    1099.59   77.809    88.585  3.2433  90.424  3.2126  -1.838623      4.565047 
1 1 1 2   22  1  o 23.093  2.2095  73.519    13.032    91.248    18.721    56.852    18.153    25.916  2.7384  20.269  3.4682  5.646925       4.418993 
1 1 1 2   22  2  o 66.936  2.0521  602.895   36.765    625.665   51.806    579.792   52.183    68.216  2.8353  65.655  2.9673  2.560631       4.104178 
1 1 1 2   22  3  o 54.373  1.9573  398.253   28.446    406.444   40.045    389.911   40.413    54.979  2.7194  53.768  2.8159  1.210297       3.914653 
1 1 1 2   22  4  o 39.266  1.9299  208.587   20.134    223.513   28.573    193.864   28.376    40.681  2.6364  37.851  2.8191  2.830521       3.859789 
1 1 1 2   22  5  o 64.054  2.0384  552.664   34.972    549.761   49.333    555.596   49.583    63.885  2.8830  64.223  2.8824  -0.3381996     4.076755 
1 1 1 2   22  6  o 75.245  2.1374  763.713   43.077    757.633   60.864    769.817   60.977    74.943  3.0321  75.547  3.0134  -0.6035309     4.274834 
1 1 1 2   22  7  o 107.178 2.5926  1556.80   74.419    1530.20   105.258   1583.37   105.231   106.251 3.6985  108.104 3.6342  -1.852509      5.185260 
1 1 1 2   22  8  o 84.455  2.2610  965.119   51.123    930.427   72.272    999.864   72.326    82.921  3.2540  85.990  3.1402  -3.068932      4.522099 
1 1 1 2   22  9  o 103.522 2.5317  1455.15   70.194    1439.78   99.424    1470.42   99.115    102.967 3.6050  104.076 3.5555  -1.109413      5.063340 
1 1 1 2   22  10 o 79.945  2.2794  866.298   48.809    868.559   69.221    864.063   68.833    80.047  3.2285  79.842  3.2186  0.2044678      4.558853 
1 1 1 2   22  11 o 19.304  2.5913  53.438    12.791    34.590    17.986    72.727    18.195    15.630  4.2044  22.978  3.0303  -7.348036      5.182640 
1 1 1 2   22  12 f 142.062 3.1880  2779.69   121.304   2806.55   172.002   2753.12   171.100   142.753 4.4984  141.370 4.5186  1.382904       6.375996 
1 1 1 2   22  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   22  14 o 20.960  2.6414  61.863    14.253    69.792    20.586    54.561    19.754    22.321  3.5631  19.599  3.9002  2.721752       5.282736 
1 1 1 2   22  15 o 42.492  2.1185  247.814   23.900    231.702   34.049    263.462   33.555    41.082  3.1176  43.901  2.8694  -2.819164      4.237053 
1 1 1 2   22  16 o 85.780  2.4243  1012.21   55.699    1014.54   79.155    1009.92   78.391    85.870  3.4415  85.691  3.4154  0.1785278      4.848622 
1 1 1 2   22  17 o 25.136  2.4693  88.805    16.173    91.139    23.112    86.565    22.638    25.470  3.4789  24.803  3.5052  0.6663742      4.938543 
1 1 1 2   22  18 o 58.660  2.1860  474.861   34.234    504.210   48.791    446.403   48.046    60.529  3.0095  56.790  3.1712  3.738979       4.371905 
1 1 1 2   22  19 f 42.267  2.2042  248.983   24.717    232.467   35.182    265.079   34.732    40.808  3.2456  43.726  2.9833  -2.918190      4.408421 
1 1 1 2   22  20 f 9.3985  2.7483  4.6001    11.329    1.5861    16.310    7.4105    15.749    9.0289  3.8441  9.7680  3.9288  -0.7391834     5.496587 
1 1 1 2   22  21 o 30.835  2.3636  134.546   19.205    134.817   27.451    134.286   26.878    30.849  3.3775  30.821  3.3075  0.2760887E-01  4.727251 
1 1 1 2   22  22 o 39.271  2.2880  217.126   23.807    234.355   34.096    200.733   33.257    40.855  3.1398  37.686  3.3289  3.168289       4.576013 
1 1 1 2   22  23 o 19.415  4.4376  57.053    22.574    0.0000    0.0000    57.053    22.574    ?       ?       19.415  4.4376  ?              ?        
1 1 1 2   22  24 o 19.171  3.0958  56.304    15.680    68.667    22.287    44.185    22.065    21.454  4.0263  16.888  4.7037  4.566164       6.191574 
1 1 1 2   22  25 o 13.593  3.1435  25.726    14.214    42.206    20.492    10.448    19.732    16.426  4.5170  10.760  4.3729  5.665565       6.286916 
1 1 1 2   23  0  o 67.686  2.0721  617.386   37.509    651.190   52.778    582.889   53.317    69.571  2.8323  65.800  3.0252  3.770775       4.144112 
1 1 1 2   23  1  f 52.170  1.9448  367.224   27.080    364.612   38.070    369.898   38.526    51.983  2.7439  52.358  2.7569  -0.3746262     3.889691 
1 1 1 2   23  2  o 128.821 2.8388  2247.40   97.950    2234.25   137.988   2260.76   139.063   128.443 4.0109  129.200 4.0185  -0.7570648     5.677632 
1 1 1 2   23  3  f 33.818  1.9878  155.946   17.660    180.789   25.069    131.472   24.882    36.558  2.5766  31.078  3.0276  5.480652       3.975580 
1 1 1 2   23  4  o 61.778  2.0576  514.808   34.047    512.419   47.944    517.238   48.358    61.634  2.9042  61.921  2.9157  -0.2873840     4.115252 
1 1 1 2   23  5  o 43.997  1.9515  262.552   22.814    239.803   32.227    285.408   32.302    42.055  2.8782  45.940  2.6361  -3.884331      3.902999 
1 1 1 2   23  6  f 73.929  2.1492  739.138   42.523    701.500   59.932    777.292   60.342    72.018  3.1070  75.840  2.9705  -3.822754      4.298491 
1 1 1 2   23  7  o 73.160  2.1641  724.315   42.405    732.703   59.927    715.904   60.013    73.589  3.0403  72.731  3.0806  0.8583679      4.328229 
1 1 1 2   23  8  o 59.924  2.0747  486.521   33.236    474.336   47.019    498.689   46.986    59.129  2.9784  60.720  2.8890  -1.591808      4.149379 
1 1 1 2   23  9  o 58.555  2.0775  465.022   32.511    450.552   45.999    479.466   45.956    57.595  2.9921  59.515  2.8828  -1.920750      4.154944 
1 1 1 2   23  10 o 21.410  2.4383  63.919    13.507    63.068    19.084    64.773    19.119    21.259  3.4713  21.562  3.4250  -0.3027515     4.876529 
1 1 1 2   23  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   23  12 o 82.900  2.3540  938.491   52.260    924.276   74.224    952.466   73.594    82.259  3.3688  83.542  3.2889  -1.283356      4.708025 
1 1 1 2   23  13 o 12.946  2.8754  23.075    11.281    17.535    16.677    27.749    15.317    11.912  4.2005  13.981  3.9279  -2.068994      5.750861 
1 1 1 2   23  14 o 46.457  2.1197  296.254   26.214    285.184   37.247    307.120   36.901    45.567  3.0697  47.348  2.9240  -1.780754      4.239422 
1 1 1 2   23  15 o 35.488  2.2421  174.676   21.023    162.186   29.962    186.788   29.505    34.174  3.3150  36.802  3.0198  -2.628384      4.484184 
1 1 1 2   23  16 o 25.815  2.3845  93.594    16.078    98.313    22.896    89.002    22.584    26.491  3.2981  25.138  3.4448  1.353725       4.769071 
1 1 1 2   23  17 o 8.5359  2.4868  0.6095    9.9238    -10.9055  14.363    11.127    13.727    7.0134  3.2438  10.058  3.7702  -3.044920      4.973635 
1 1 1 2   23  18 o 34.879  2.2979  170.550   21.213    176.618   30.237    164.669   29.767    35.512  3.2138  34.247  3.2854  1.264629       4.595881 
1 1 1 2   23  19 o 38.153  2.2721  204.176   22.992    212.807   32.851    195.889   32.189    38.968  3.1750  37.338  3.2511  1.630344       4.544271 
1 1 1 2   23  20 o 24.363  2.6702  85.887    16.860    85.493    23.815    86.283    23.873    24.304  3.7814  24.422  3.7709  -0.1184025     5.340340 
1 1 1 2   23  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   23  22 o 22.662  2.9831  77.346    17.342    63.168    24.645    91.253    24.408    20.311  4.6327  25.013  3.7594  -4.702078      5.966146 
1 1 1 2   23  23 o 39.559  2.4614  227.552   25.277    181.157   35.745    273.963   35.751    35.144  3.8609  43.973  3.0543  -8.829029      4.922899 
1 1 1 2   24  0  o 114.093 2.5845  1761.88   78.964    1713.92   111.003   1811.01   112.354   112.512 3.6834  115.674 3.6263  -3.162102      5.168905 
1 1 1 2   24  1  o 104.118 2.5012  1467.74   69.750    1468.19   98.208    1467.27   99.082    104.140 3.5208  104.096 3.5536  0.4299927E-01  5.002412 
1 1 1 2   24  2  o 112.480 2.6385  1717.12   79.473    1746.81   111.923   1686.94   112.867   113.480 3.6822  111.480 3.7799  1.999878       5.276987 
1 1 1 2   24  3  o 47.119  1.9446  300.793   24.419    311.378   34.430    290.081   34.638    47.967  2.6907  46.271  2.8081  1.696323       3.889109 
1 1 1 2   24  4  o 26.835  2.0848  98.462    14.734    97.101    20.564    99.899    21.122    26.646  2.9298  27.024  2.9668  -0.3787212     4.169612 
1 1 1 2   24  5  o 55.078  2.0204  410.859   29.715    387.875   41.859    434.207   42.189    53.471  2.9339  56.686  2.7787  -3.214821      4.040878 
1 1 1 2   24  6  o 57.868  2.0526  453.815   31.750    466.147   44.930    441.514   44.873    58.700  2.8576  57.036  2.9473  1.663719       4.105219 
1 1 1 2   24  7  o 33.283  2.0625  151.205   18.149    137.716   25.421    165.226   25.918    31.734  3.0275  34.833  2.8017  -3.098589      4.124957 
1 1 1 2   24  8  o 62.393  2.0935  528.086   34.979    515.259   49.448    540.932   49.487    61.625  2.9957  63.161  2.9252  -1.535572      4.187001 
1 1 1 2   24  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   24  10 o 50.174  2.0732  343.542   27.717    327.214   39.100    360.034   39.297    48.951  2.9966  51.397  2.8659  -2.445999      4.146428 
1 1 1 2   24  11 o 50.675  2.1094  351.382   28.454    376.407   40.424    326.807   40.058    52.503  2.8856  48.846  3.0775  3.657249       4.218712 
1 1 1 2   24  12 o 9.9309  2.5308  7.3530    10.066    -9.2279   14.736    21.860    13.784    7.3495  3.3574  12.512  3.7878  -5.162790      5.061573 
1 1 1 2   24  13 o 44.877  2.1286  277.064   25.435    278.263   36.264    275.904   35.685    44.966  3.0285  44.789  2.9918  0.1775742      4.257104 
1 1 1 2   24  14 o 48.931  2.1694  330.505   28.286    335.918   40.066    325.126   39.940    49.341  3.0465  48.520  3.0893  0.8218651      4.338782 
1 1 1 2   24  15 o 19.293  2.8577  54.164    14.289    56.165    20.569    52.297    19.865    19.643  4.0441  18.942  4.0388  0.7016201      5.715422 
1 1 1 2   24  16 o 24.519  2.6020  86.019    16.560    85.362    23.408    86.678    23.431    24.418  3.6946  24.620  3.6648  -0.2028732     5.203970 
1 1 1 2   24  17 o 49.024  2.2419  337.125   29.098    298.898   41.356    374.602   40.948    46.119  3.3713  51.929  2.9562  -5.810867      4.483789 
1 1 1 2   24  18 o 32.791  2.3616  152.281   20.377    139.354   28.845    165.156   28.788    31.304  3.5001  34.278  3.1715  -2.974083      4.723245 
1 1 1 2   24  19 o 18.839  4.3913  53.312    21.750    53.312    21.750    0.0000    0.0000    18.839  4.3913  ?       ?       ?              ?        
1 1 1 2   24  20 o 20.632  2.9785  63.520    15.891    65.961    23.044    61.306    21.943    21.004  4.2421  20.260  4.1822  0.7440243      5.957039 
1 1 1 2   24  21 o 35.919  2.4328  185.413   23.017    167.587   32.479    203.397   32.623    34.046  3.6171  37.793  3.2545  -3.747269      4.865690 
1 1 1 2   24  22 o 21.091  3.1262  69.264    17.229    91.972    24.718    47.806    24.028    24.876  3.8328  17.306  4.9398  7.570213       6.252384 
1 1 1 2   25  0  o 103.009 2.4806  1439.40   68.436    1410.86   96.134    1468.71   97.445    101.970 3.5198  104.049 3.4965  -2.078735      4.961266 
1 1 1 2   25  1  o 89.930  2.3402  1096.46   56.363    1101.66   79.242    1091.14   80.186    90.155  3.2815  89.705  3.3373  0.4501266      4.680388 
1 1 1 2   25  2  o 64.696  2.0677  566.544   35.808    582.573   50.294    550.064   50.995    65.639  2.8607  63.754  2.9863  1.885017       4.135373 
1 1 1 2   25  3  o 21.266  2.2708  62.753    12.507    66.696    17.626    58.755    17.751    21.981  3.0782  20.551  3.3394  1.430597       4.541684 
1 1 1 2   25  4  o 90.931  2.3744  1123.79   57.822    1100.04   81.460    1147.91   82.090    89.953  3.3810  91.908  3.3346  -1.954956      4.748738 
1 1 1 2   25  5  o 28.148  2.1328  108.633   15.823    104.883   22.200    112.506   22.560    27.642  3.0491  28.655  2.9831  -1.012625      4.265695 
1 1 1 2   25  6  o 29.733  2.1387  121.369   16.739    132.537   23.800    110.440   23.545    31.132  2.8871  28.334  3.1562  2.798021       4.277479 
1 1 1 2   25  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   25  8  o 34.104  2.1039  159.526   19.010    152.396   26.859    166.683   26.909    33.316  3.0434  34.891  2.9057  -1.575073      4.207810 
1 1 1 2   25  9  o 15.757  2.8277  35.664    11.988    31.970    16.992    39.325    16.914    14.952  4.1137  16.562  3.8807  -1.609964      5.655302 
1 1 1 2   25  10 o 20.374  2.6567  59.076    13.958    56.259    19.761    61.880    19.718    19.849  3.8560  20.899  3.6557  -1.049995      5.313468 
1 1 1 2   25  11 o 8.0637  2.4060  -1.4215   9.4386    7.8914    13.290    -10.8982  13.407    9.3919  3.6619  6.7355  3.1219  2.656390       4.812057 
1 1 1 2   25  12 o 39.232  2.1666  213.519   22.452    238.911   31.808    188.305   31.695    41.653  2.8685  36.811  3.2479  4.841892       4.333242 
1 1 1 2   25  13 o 48.530  2.1918  326.538   28.311    344.408   40.179    308.917   39.897    49.895  3.0207  47.166  3.1766  2.729580       4.383555 
1 1 1 2   25  14 o 34.813  2.2811  169.957   20.852    145.807   29.186    195.138   29.802    32.160  3.4416  37.465  2.9948  -5.305313      4.562170 
1 1 1 2   25  15 o 43.281  2.2193  261.785   25.520    247.071   36.033    276.593   36.149    42.004  3.2274  44.558  3.0471  -2.554436      4.438619 
1 1 1 2   25  16 o 22.065  2.8491  71.400    16.181    80.111    23.026    62.901    22.744    23.533  3.7811  20.597  4.2631  2.936003       5.698276 
1 1 1 2   25  17 o 29.987  2.4740  128.125   19.450    138.427   27.804    118.251   27.219    31.240  3.3765  28.733  3.6169  2.507488       4.948026 
1 1 1 2   25  18 o 33.858  6.9452  191.197   60.872    0.0000    0.0000    191.197   60.872    ?       ?       33.858  6.9452  ?              ?        
1 1 1 2   25  19 o 10.479  2.9653  9.9664    12.615    8.7457    18.480    11.032    17.263    10.413  4.2317  10.545  4.1550  -0.1319532     5.930580 
1 1 1 2   25  20 o 38.776  2.4142  217.269   24.618    189.950   34.863    244.440   34.768    36.127  3.6530  41.424  3.1573  -5.297012      4.828318 
1 1 1 2   26  0  o 74.970  2.1517  761.733   43.202    763.000   60.625    760.427   61.580    75.041  3.0163  74.899  3.0695  0.1420975      4.303463 
1 1 1 2   26  1  o 52.007  1.9825  367.086   27.511    364.885   38.580    369.365   39.242    51.852  2.7881  52.163  2.8192  -0.3106041     3.964976 
1 1 1 2   26  2  o 22.209  2.4062  68.917    13.680    55.610    19.093    82.955    19.611    19.874  3.7235  24.544  3.0487  -4.669798      4.812336 
1 1 1 2   26  3  o 69.075  2.1545  648.490   39.837    669.543   56.063    627.021   56.616    70.229  2.9804  67.921  3.1120  2.307922       4.308997 
1 1 1 2   26  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   26  5  o 22.065  2.4585  68.182    14.009    74.818    19.957    61.736    19.670    23.190  3.3067  20.941  3.6390  2.249033       4.916923 
1 1 1 2   26  6  o 72.685  2.2034  721.207   42.892    731.521   60.483    710.773   60.834    73.222  3.0839  72.149  3.1479  1.073753       4.406829 
1 1 1 2   26  7  o 52.708  2.0847  380.192   29.312    374.770   41.345    385.672   41.564    52.324  2.9622  53.093  2.9341  -0.7685089     4.169414 
1 1 1 2   26  8  o 54.167  2.1391  402.903   30.857    374.273   43.389    432.199   43.892    52.172  3.1192  56.162  2.9279  -3.989658      4.278131 
1 1 1 2   26  9  o 39.082  2.1360  210.667   22.185    210.034   31.217    211.314   31.534    39.027  3.0096  39.138  3.0317  -0.1111259     4.271920 
1 1 1 2   26  10 o 14.846  2.8986  31.976    11.906    32.312    16.575    31.617    17.113    14.922  4.0455  14.771  4.1524  0.1504278      5.797297 
1 1 1 2   26  11 o 13.660  2.9230  25.524    12.250    38.547    17.732    13.635    16.942    16.220  4.0840  11.100  4.1831  5.120372       5.846088 
1 1 1 2   26  12 o 6.6004  2.1448  -9.6841   8.8750    -3.4575   12.289    -16.4713  12.831    7.2176  3.1994  5.9832  2.8573  1.234379       4.289598 
1 1 1 2   26  13 o 31.995  2.3389  144.204   19.732    152.251   28.083    136.358   27.729    32.922  3.2262  31.067  3.3872  1.854546       4.677748 
1 1 1 2   26  14 o 30.685  2.3653  133.258   19.112    129.772   27.222    136.648   26.839    30.249  3.4200  31.122  3.2685  -0.8726025     4.730699 
1 1 1 2   26  15 o 19.403  2.9174  55.759    14.698    59.335    21.000    52.325    20.579    20.057  4.0486  18.749  4.2018  1.307476       5.834888 
1 1 1 2   26  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   26  17 o 15.947  3.1611  37.763    15.042    56.643    21.520    19.726    21.034    19.387  4.2605  12.506  4.6711  6.880603       6.322296 
1 1 1 2   26  18 o 14.462  3.2643  31.562    14.368    36.123    20.228    26.917    20.413    15.333  4.5767  13.591  4.6558  1.742290       6.528611 
1 1 1 2   27  0  o 51.186  2.0225  356.463   27.614    346.910   38.744    366.326   39.367    50.483  2.8773  51.890  2.8432  -1.407562      4.045061 
1 1 1 2   27  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   27  2  o 59.779  2.0710  485.970   33.157    476.841   46.473    495.434   47.319    59.207  2.9305  60.351  2.9273  -1.144306      4.142068 
1 1 1 2   27  3  o 57.340  2.0845  448.990   31.904    447.205   44.806    450.826   45.439    57.230  2.9328  57.451  2.9630  -0.2203941     4.168994 
1 1 1 2   27  4  o 20.097  2.6040  57.555    13.415    45.303    18.763    70.368    19.187    17.751  4.0375  22.443  3.2896  -4.692013      5.207959 
1 1 1 2   27  5  o 13.786  2.8935  26.588    11.671    19.735    16.352    33.705    16.663    12.272  4.1672  15.300  4.0153  -3.027990      5.786906 
1 1 1 2   27  6  o 55.277  2.1045  419.602   31.044    417.622   43.870    421.588   43.936    55.143  2.9812  55.410  2.9711  -0.2666168     4.208980 
1 1 1 2   27  7  o 20.433  2.6718  60.824    13.939    45.650    19.924    75.368    19.507    17.683  4.2576  23.183  3.2291  -5.499903      5.343597 
1 1 1 2   27  8  o 13.990  2.9487  27.541    12.378    16.928    17.475    38.229    17.536    11.796  4.2829  16.183  4.0540  -4.386481      5.897314 
1 1 1 2   27  9  f 36.976  2.1730  190.377   21.290    200.566   29.962    179.986   30.258    38.029  2.9649  35.922  3.1775  2.107372       4.345947 
1 1 1 2   27  10 o 33.115  2.2964  154.006   19.880    128.508   27.648    181.301   28.606    30.135  3.4900  36.094  2.9857  -5.959686      4.592872 
1 1 1 2   27  11 o 28.927  2.4469  119.734   18.250    97.986    25.883    141.234   25.736    26.088  3.8170  31.765  3.0627  -5.676863      4.893830 
1 1 1 2   27  12 o 9.9968  2.5955  3.4392    11.139    -17.4839  15.578    25.329    15.934    6.7531  3.2031  13.240  4.0850  -6.487242      5.191081 
1 1 1 2   27  13 o 22.777  2.7272  75.813    15.895    61.473    22.240    90.788    22.727    20.350  4.2186  25.205  3.4575  -4.854237      5.454424 
1 1 1 2   27  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   27  15 o 15.172  3.2138  34.411    14.634    22.448    20.839    46.050    20.556    12.940  4.6803  17.404  4.4055  -4.463653      6.427549 
1 1 1 2   27  16 o 14.545  3.0053  30.719    13.714    12.261    19.376    49.246    19.412    11.049  4.3866  18.041  4.1091  -6.991391      6.010634 
1 1 1 2   27  17 o 11.463  2.6295  3.3167    13.083    -32.9466  18.163    42.418    18.860    6.3577  3.1190  16.568  4.2342  -10.21003      5.258932 
1 1 1 2   28  0  o 45.346  2.0236  281.069   24.426    264.256   34.254    298.463   34.840    43.940  2.9272  46.752  2.7950  -2.811790      4.047300 
1 1 1 2   28  1  o 49.042  2.0369  329.258   26.622    336.578   37.323    321.677   37.983    49.620  2.8199  48.463  2.9400  1.157028       4.073730 
1 1 1 2   28  2  o 46.620  2.0444  298.088   25.379    312.290   35.907    283.912   35.875    47.760  2.8194  45.480  2.9612  2.280502       4.088708 
1 1 1 2   28  3  o 12.586  2.7968  20.574    11.549    33.773    15.966    6.0893    16.725    15.297  3.8884  9.8751  4.0210  5.421985       5.593529 
1 1 1 2   28  4  o 12.611  2.9748  21.381    11.885    25.020    16.477    17.434    17.161    13.342  4.1603  11.879  4.2533  1.463193       5.949633 
1 1 1 2   28  5  o 19.428  2.7597  56.413    13.881    77.737    19.393    34.010    19.877    23.551  3.1534  15.304  4.5298  8.247323       5.519358 
1 1 1 2   28  6  o 8.0486  2.4344  -0.0036   9.4293    3.6078    12.827    -4.2504   13.909    8.4674  3.4929  7.6298  3.3919  0.8376241      4.868804 
1 1 1 2   28  7  o 14.048  2.9264  28.463    11.859    23.379    16.540    33.840    17.012    12.913  4.1856  15.183  4.0909  -2.269940      5.852776 
1 1 1 2   28  8  o 39.566  2.2153  218.685   23.284    220.633   32.981    216.749   32.876    39.748  3.1230  39.384  3.1426  0.3633881      4.430502 
1 1 1 2   28  9  o 12.457  2.9420  21.018    11.937    28.665    16.496    12.612    17.295    13.998  4.1219  10.915  4.1990  3.083473       5.884013 
1 1 1 2   28  10 o 14.881  3.0669  32.352    13.517    44.329    19.130    20.410    19.103    17.254  4.1827  12.508  4.4864  4.746064       6.133792 
1 1 1 2   28  11 o 16.242  2.9700  39.777    13.534    53.191    18.809    25.378    19.487    19.049  3.8194  13.434  4.5493  5.615579       5.939991 
1 1 1 2   28  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   28  13 o 21.533  2.9740  70.235    16.483    47.335    23.027    94.299    23.605    17.515  4.7764  25.551  3.5445  -8.035637      5.947949 
1 1 1 2   28  14 o 22.347  2.9763  75.198    17.145    67.924    24.002    82.775    24.498    21.116  4.3870  23.578  4.0234  -2.462465      5.952634 
1 1 1 2   28  15 o 10.761  3.0336  11.276    13.291    6.4088    18.830    16.109    18.763    10.041  4.1943  11.482  4.3839  -1.441012      6.067214 
1 1 1 2   29  0  o 50.655  2.1004  352.986   28.366    356.309   39.825    349.565   40.411    50.914  2.9327  50.395  3.0075  0.5189095      4.200709 
1 1 1 2   29  1  o 13.886  2.9743  27.501    12.023    28.551    16.752    26.386    17.264    14.106  4.1539  13.667  4.2581  0.4395380      5.948637 
1 1 1 2   29  2  f 59.206  2.1305  483.707   33.673    478.489   47.312    489.063   47.936    58.884  3.0098  59.528  3.0163  -0.6448441     4.261088 
1 1 1 2   29  3  o 32.571  2.2165  148.071   19.074    154.118   26.796    141.861   27.157    33.290  3.0387  31.853  3.2276  1.437155       4.432944 
1 1 1 2   29  4  o 19.180  2.8623  53.827    14.234    53.430    19.739    54.256    20.544    19.127  3.9823  19.233  4.1126  -0.1055756     5.724637 
1 1 1 2   29  5  o 55.285  2.1677  425.388   31.941    443.045   44.953    407.385   45.391    56.503  2.9809  54.067  3.1480  2.436440       4.335396 
1 1 1 2   29  6  o 14.224  2.9838  29.455    12.595    38.519    17.549    19.826    18.087    16.136  4.0629  12.313  4.3710  3.823199       5.967638 
1 1 1 2   29  7  o 11.716  2.9203  16.773    11.818    8.3404    16.414    25.851    17.030    10.035  4.0198  13.398  4.2372  -3.363203      5.840595 
1 1 1 2   29  8  o 15.358  3.1416  35.161    13.669    33.195    19.176    37.192    19.489    14.953  4.4545  15.763  4.4312  -0.8104639     6.283181 
1 1 1 2   29  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   29  10 o 24.967  2.7751  91.294    17.903    84.392    25.333    98.181    25.305    23.912  4.1030  26.023  3.7378  -2.110353      5.550244 
1 1 1 2   29  11 o 17.332  3.1300  45.456    14.717    36.312    20.204    55.792    21.480    15.453  4.5651  19.211  4.2836  -3.758235      6.260082 
1 1 1 2   29  12 o 25.481  2.7422  96.778    17.850    112.832   24.996    80.070    25.500    27.955  3.4088  23.006  4.2962  4.949867       5.484311 
1 1 1 2   29  13 o 24.590  2.7903  90.491    17.685    79.978    24.573    101.787   25.472    22.950  4.1504  26.230  3.7308  -3.279848      5.580700 
1 1 1 2   30  0  o 32.579  2.1980  148.073   18.843    130.067   26.218    167.312   27.101    30.447  3.2659  34.711  2.9426  -4.263857      4.395982 
1 1 1 2   30  1  o 30.818  2.2931  133.250   18.634    128.504   25.857    138.379   26.878    30.243  3.2426  31.394  3.2432  -1.151093      4.586151 
1 1 1 2   30  2  o 13.284  3.0737  24.691    12.631    21.200    17.365    28.613    18.405    12.509  4.2938  14.059  4.3992  -1.550171      6.147321 
1 1 1 2   30  3  o 37.129  2.2035  192.879   21.687    181.438   30.268    204.948   31.088    35.961  3.1751  38.297  3.0561  -2.335888      4.406929 
1 1 1 2   30  4  o 53.295  2.1696  396.545   30.833    400.612   43.323    392.370   43.893    53.600  3.0300  52.991  3.1061  0.6089554      4.339201 
1 1 1 2   30  5  o 38.718  2.2479  210.410   23.062    193.853   32.060    228.165   33.199    37.085  3.2606  40.350  3.0954  -3.264656      4.495877 
1 1 1 2   30  6  o 27.153  2.5048  105.677   17.763    101.669   25.247    109.606   24.996    26.587  3.6409  27.718  3.4408  -1.130991      5.009540 
1 1 1 2   30  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   30  8  o 29.930  2.4264  128.042   19.029    115.457   26.407    141.637   27.446    28.314  3.5608  31.546  3.2970  -3.231827      4.852774 
1 1 1 2   30  9  o 23.631  2.8905  83.144    17.630    83.936    24.780    82.332    25.089    23.777  4.0352  23.486  4.1397  0.2908821      5.780999 
1 1 1 2   30  10 o 16.289  3.1058  40.286    15.159    62.671    21.564    18.419    21.314    20.365  4.0953  12.214  4.6703  8.150742       6.211589 
1 1 1 2   31  0  o 32.781  2.4176  154.562   20.388    185.232   28.476    122.304   29.204    36.429  2.9435  29.132  3.8359  7.296461       4.835109 
1 1 1 2   31  1  o 11.692  2.9225  16.597    12.313    27.199    16.526    3.3672    18.460    13.647  4.1511  9.7361  4.1149  3.910860       5.844991 
1 1 1 2   31  2  o 17.979  2.9117  49.770    14.273    69.745    19.698    27.685    20.712    22.029  3.4517  13.929  4.6901  8.099550       5.823343 
1 1 1 2   31  3  o 10.162  2.8227  8.4825    11.800    16.936    15.957    -1.7163   17.527    11.459  4.1015  8.8650  3.8791  2.593813       5.645313 
1 1 1 2   31  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   31  5  o 45.164  2.2680  288.300   27.235    294.269   38.066    282.040   38.983    45.702  3.1285  44.627  3.2844  1.075397       4.535955 
1 1 1 2   31  6  o 17.788  2.9381  46.422    14.561    23.144    19.577    75.240    21.782    12.911  4.5513  22.666  3.7169  -9.754320      5.876181 
1 1 1 2   31  7  o 22.764  2.8671  77.609    16.780    88.654    23.986    67.023    23.482    24.542  3.7693  20.987  4.3213  3.555773       5.734272 
1 1 1 2   31  8  o 18.232  3.2067  52.004    15.599    52.788    21.983    51.209    22.138    18.390  4.4996  18.074  4.5702  0.3167019      6.413493 
1 1 1 2   32  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   32  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 2   32  2  o 19.561  2.9828  57.121    15.171    48.723    20.651    66.969    22.362    17.917  4.3474  21.206  4.0852  -3.289303      5.965614 
1 1 1 2   32  3  f 19.625  3.0291  58.747    15.475    64.606    21.322    52.226    22.496    20.837  3.9653  18.413  4.5803  2.424025       6.058249 
1 1 1 2   32  4  o 23.606  2.7631  83.254    16.727    90.367    22.960    75.210    24.418    24.907  3.5414  22.305  4.2423  2.602083       5.526163 
1 1 1 2   32  5  o 23.247  2.8662  81.389    17.171    74.725    24.135    88.219    24.435    22.159  4.2206  24.335  3.8790  -2.176159      5.732392 
1 1 1 2   33  0  o 13.906  2.8762  27.566    13.603    48.755    18.284    1.3016    20.357    18.036  3.8985  9.7751  4.2298  8.261148       5.752354 
1 1 1 2   33  1  o 11.266  2.8661  13.723    12.775    29.029    16.753    -7.5382   19.745    13.861  4.1714  8.6701  3.9317  5.191278       5.732291 
1 1 1 2   33  2  o 9.8889  2.9518  5.2066    13.353    7.6494    17.439    1.7448    20.760    9.9442  4.0839  9.8337  4.2633  0.1104908      5.903697 
1 1 1 3   -37 12 o 13.022  3.3737  26.398    15.193    28.956    23.762    24.629    19.759    13.443  4.9758  12.600  4.5573  0.8430090      6.747468 
1 1 1 3   -37 13 o 16.538  3.2670  42.518    16.175    72.570    25.064    21.068    21.175    20.964  4.5908  12.113  4.6495  8.850865       6.533991 
1 1 1 3   -37 14 f 16.608  3.1934  39.993    16.765    82.435    26.287    10.891    21.767    22.450  4.5279  10.766  4.5045  11.68354       6.386883 
1 1 1 3   -37 15 o 14.529  3.4744  34.655    15.845    41.506    24.980    30.042    20.496    15.472  5.1504  13.587  4.6648  1.885627       6.948888 
1 1 1 3   -37 16 o 11.595  3.2010  18.161    14.549    10.690    23.427    22.851    18.562    10.953  4.6326  12.238  4.4186  -1.285218      6.401991 
1 1 1 3   -37 17 o 18.144  3.4658  55.462    17.259    68.454    26.237    45.551    22.916    20.003  4.9289  16.286  4.8737  3.717232       6.931552 
1 1 1 3   -37 18 o 26.620  3.0845  113.220   20.964    141.285   31.078    89.791    28.396    30.059  3.9562  23.181  4.7335  6.877565       6.169052 
1 1 1 3   -37 19 o 17.466  3.5313  50.891    17.703    74.018    27.632    34.791    23.056    20.635  5.0423  14.296  4.9453  6.338592       7.062676 
1 1 1 3   -37 20 o 11.775  3.3258  16.301    15.869    30.382    25.004    6.8055    20.534    13.556  5.0871  9.9945  4.2856  3.561654       6.651674 
1 1 1 3   -37 21 o 22.762  3.6275  93.822    21.887    70.443    32.137    114.047   29.890    19.136  5.7816  26.388  4.3827  -7.251726      7.255035 
1 1 1 3   -37 22 o 8.7779  2.8533  -6.5178   14.922    -2.5179   24.012    -9.0344   19.047    9.5314  4.3275  8.0245  3.7199  1.506918       5.706547 
1 1 1 3   -37 23 o 24.276  3.4829  105.123   21.784    83.983    31.941    123.507   29.786    21.026  5.5793  27.526  4.1707  -6.500435      6.965815 
1 1 1 3   -37 24 o 9.4261  3.0522  -7.7145   16.904    11.747    27.510    -19.5190  21.425    11.180  4.8768  7.6721  3.6717  3.508106       6.104414 
1 1 1 3   -36 5  o 11.583  2.9706  18.514    11.495    23.517    19.245    15.740    14.332    12.502  4.5012  10.665  3.8777  1.836561       5.941169 
1 1 1 3   -36 6  o 12.443  3.0336  22.905    13.668    3.3614    22.207    34.823    17.341    10.085  4.3909  14.800  4.1869  -4.714164      6.067109 
1 1 1 3   -36 7  o 13.564  3.3409  28.648    15.562    16.230    24.351    37.219    20.232    11.953  4.8578  15.175  4.5880  -3.221539      6.681880 
1 1 1 3   -36 8  o 15.559  2.5705  37.976    14.621    -15.7889  22.889    75.034    19.003    8.5348  3.9966  22.583  3.2338  -14.04864      5.141059 
1 1 1 3   -36 9  o 12.017  3.0614  20.171    13.357    7.1768    21.070    28.902    17.270    10.406  4.3970  13.627  4.2610  -3.220262      6.122895 
1 1 1 3   -36 10 o 7.5193  2.4939  -15.7043  11.684    -3.2165   20.414    -21.7887  14.249    9.1246  4.0791  5.9140  2.8705  3.210518       4.987872 
1 1 1 3   -36 11 o 11.335  3.1719  11.677    14.082    26.146    23.393    3.4538    17.635    13.356  4.9383  9.3138  3.9821  4.041840       6.343771 
1 1 1 3   -36 12 o 9.7516  2.8548  1.0889    12.235    20.400    20.761    -9.1877   15.145    12.257  4.6278  7.2461  3.3442  5.010900       5.709690 
1 1 1 3   -36 13 o 21.872  3.1929  74.223    18.108    100.535   27.386    53.786    24.136    25.599  4.1351  18.146  4.8660  7.452749       6.385712 
1 1 1 3   -36 14 o 31.876  3.6346  150.949   30.477    0.0000    0.0000    150.949   30.477    ?       ?       31.876  3.6346  ?              ?        
1 1 1 3   -36 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -36 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -36 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -36 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -36 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -36 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -36 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -36 22 o 16.264  5.0285  45.005    24.129    0.0000    0.0000    45.005    24.129    ?       ?       16.264  5.0285  ?              ?        
1 1 1 3   -36 23 o 22.147  3.5026  87.311    20.888    53.942    31.222    114.346   28.103    17.179  5.7586  27.115  3.9888  -9.935743      7.005130 
1 1 1 3   -36 24 o 16.220  3.6930  46.041    18.162    49.391    27.093    43.306    24.477    16.644  5.3531  15.795  5.0889  0.8497610      7.385925 
1 1 1 3   -36 25 o 11.399  3.0958  11.103    16.305    -24.8054  25.668    35.395    21.111    8.3283  3.9944  14.470  4.7309  -6.141553      6.191670 
1 1 1 3   -36 26 o 11.313  3.3760  13.566    17.520    10.126    26.720    16.160    23.204    11.164  4.8384  11.462  4.7095  -0.2980337     6.751998 
1 1 1 3   -36 27 o 20.154  3.6848  73.936    20.336    88.794    29.101    59.756    28.430    22.515  4.9595  17.792  5.4512  4.723221       7.369685 
1 1 1 3   -36 28 o 13.675  3.6437  32.407    19.253    16.040    28.526    46.100    26.092    11.722  5.0394  15.629  5.2641  -3.907015      7.287399 
1 1 1 3   -36 29 o 25.093  3.6240  113.765   23.477    134.181   35.149    97.322    31.545    27.366  4.9786  22.821  5.2676  4.545248       7.248030 
1 1 1 3   -36 30 o 25.376  3.5270  118.842   23.043    108.283   33.441    128.388   31.797    23.659  5.3966  27.093  4.5425  -3.434000      7.053957 
1 1 1 3   -35 1  o 20.982  3.0753  69.430    16.685    72.753    24.506    66.559    22.781    21.409  4.4200  20.554  4.2771  0.8543739      6.150611 
1 1 1 3   -35 2  o 11.613  3.1340  16.866    13.370    21.822    21.017    13.497    17.328    12.494  4.6687  10.731  4.1822  1.762918       6.267943 
1 1 1 3   -35 3  o 24.052  2.8944  87.665    17.911    97.700    26.776    79.538    24.097    25.314  4.0883  22.790  4.0982  2.524723       5.788766 
1 1 1 3   -35 4  o 21.718  3.0695  73.070    17.172    73.675    25.462    72.566    23.258    21.673  4.5321  21.764  4.1411  -0.9113312E-01 6.139080 
1 1 1 3   -35 5  o 27.126  2.6322  108.935   18.606    114.201   26.878    104.091   25.782    27.774  3.7055  26.479  3.7393  1.295811       5.264326 
1 1 1 3   -35 6  o 10.880  3.0759  11.174    13.125    17.096    21.850    7.8315    16.417    11.995  4.6902  9.7648  3.9808  2.230002       6.151817 
1 1 1 3   -35 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -35 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -35 9  o 17.673  3.2027  47.107    15.410    65.435    23.771    33.824    20.237    20.557  4.4466  14.789  4.6105  5.767292       6.405448 
1 1 1 3   -35 10 o 11.048  3.1101  12.707    13.686    9.8575    21.808    14.559    17.578    11.025  4.5518  11.071  4.2394  -0.4628849E-01 6.220225 
1 1 1 3   -35 11 o 18.058  3.2566  52.736    16.083    39.407    24.656    62.608    21.218    15.787  5.1097  20.329  4.0391  -4.541805      6.513295 
1 1 1 3   -35 12 o 26.375  2.7611  102.917   18.809    118.757   27.813    89.568    25.532    28.356  3.7542  24.393  4.0498  3.962673       5.522228 
1 1 1 3   -35 13 o 9.3115  2.7269  3.0745    12.121    -15.6648  19.884    14.155    15.290    7.9576  3.7259  10.665  3.9827  -2.707875      5.453831 
1 1 1 3   -35 14 o 18.588  3.1819  56.695    16.550    31.451    24.731    77.168    22.271    14.433  5.1124  22.742  3.7895  -8.309081      6.363730 
1 1 1 3   -35 15 o 14.393  3.3871  32.043    15.396    27.031    23.277    35.941    20.529    13.637  4.9443  15.148  4.6308  -1.510064      6.774210 
1 1 1 3   -35 16 o 14.566  3.3778  32.942    15.097    31.916    23.725    33.641    19.571    14.435  5.0153  14.698  4.5261  -0.2632885     6.755668 
1 1 1 3   -35 17 o 23.183  3.0925  82.680    18.454    96.513    27.013    70.576    25.269    25.185  4.1490  21.181  4.5869  4.003904       6.184948 
1 1 1 3   -35 18 f 9.4031  2.7016  0.4611    12.721    -28.4048  20.362    18.943    16.293    7.1569  3.4635  11.649  4.1471  -4.492417      5.403126 
1 1 1 3   -35 19 f 8.5288  2.6488  -11.3572  13.736    -47.4645  22.088    11.411    17.540    6.5871  3.2695  10.470  4.1683  -3.883333      5.297592 
1 1 1 3   -35 20 o 19.546  3.3779  61.515    17.649    72.173    25.391    51.553    24.548    21.346  4.5782  17.746  4.9679  3.600517       6.755765 
1 1 1 3   -35 21 o 13.058  3.1203  11.644    16.013    54.343    25.022    -17.9697  20.838    18.171  4.9890  7.9446  3.7491  10.22693       6.240672 
1 1 1 3   -35 22 o 52.505  2.4045  403.135   33.583    376.560   47.031    430.782   47.969    50.617  3.4903  54.393  3.3083  -3.776299      4.809018 
1 1 1 3   -35 23 o 26.505  3.1743  110.324   21.471    137.057   31.324    86.632    29.489    29.982  4.0004  23.028  4.9297  6.953835       6.348621 
1 1 1 3   -35 24 o 12.224  3.2110  18.025    15.921    -5.6915   24.418    35.564    20.999    9.6290  4.3688  14.820  4.7071  -5.190620      6.422080 
1 1 1 3   -35 25 o 16.261  3.6065  43.156    18.128    61.494    26.897    27.893    24.538    19.002  5.1541  13.520  5.0461  5.481705       7.213031 
1 1 1 3   -35 26 o 15.000  5.4017  37.894    27.718    37.894    27.718    0.0000    0.0000    15.000  5.4017  ?       ?       ?              ?        
1 1 1 3   -35 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -35 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -35 29 o 14.050  3.6264  33.606    18.828    16.944    29.428    45.154    24.499    12.160  5.1700  15.940  5.0865  -3.780384      7.252702 
1 1 1 3   -35 30 o 28.339  3.2235  134.097   23.622    135.910   34.092    132.423   32.760    28.432  4.6365  28.246  4.4795  0.1856956      6.446966 
1 1 1 3   -35 31 o 11.796  3.3498  10.129    18.193    43.681    27.296    -16.6929  24.405    15.151  5.3705  8.4410  4.0053  6.709793       6.699603 
1 1 1 3   -35 32 o 18.351  3.9513  67.748    21.124    70.552    31.119    65.352    28.767    18.557  5.7061  18.145  5.4674  0.4121208      7.902665 
1 1 1 3   -35 33 o 17.996  3.8077  68.203    21.234    46.004    31.489    86.717    28.757    14.641  5.6566  21.350  5.0988  -6.709340      7.615371 
1 1 1 3   -34 0  o 7.5857  2.4825  -10.4683  11.448    -8.2551   18.832    -11.7659  14.419    8.3472  3.8062  6.8243  3.1880  1.522853       4.964940 
1 1 1 3   -34 1  o 10.781  3.0487  11.363    13.244    13.190    20.024    9.9419    17.658    11.217  4.4574  10.346  4.1606  0.8703251      6.097431 
1 1 1 3   -34 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -34 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -34 4  o 27.237  2.5901  107.331   18.291    124.921   27.258    92.923    24.670    29.347  3.5391  25.127  3.7829  4.220209       5.180294 
1 1 1 3   -34 5  o 14.359  3.0993  28.591    13.685    47.043    20.957    14.874    18.070    17.462  4.4636  11.255  4.3011  6.206895       6.198665 
1 1 1 3   -34 6  o 5.0199  1.7247  -16.3775  7.2052    -47.4874  15.366    -7.6087   8.1577    4.9352  2.4882  5.1046  2.3890  -0.1694212     3.449380 
1 1 1 3   -34 7  o 31.485  2.4737  142.726   20.465    152.410   30.146    134.447   27.873    32.465  3.5233  30.506  3.4731  1.959368       4.947336 
1 1 1 3   -34 8  o 11.577  2.9328  17.799    11.204    17.204    19.075    18.112    13.845    11.779  4.4386  11.375  3.8346  0.4041529      5.865593 
1 1 1 3   -34 9  o 28.942  2.5211  120.661   18.950    142.966   28.013    101.840   25.731    31.534  3.3687  26.350  3.7518  5.184233       5.042192 
1 1 1 3   -34 10 o 18.603  3.1201  51.229    15.667    76.017    24.025    32.889    20.665    22.496  4.1397  14.709  4.6692  7.786948       6.240114 
1 1 1 3   -34 11 o 17.542  3.1550  46.113    14.811    58.599    22.989    37.252    19.366    19.506  4.4928  15.578  4.4307  3.927792       6.310045 
1 1 1 3   -34 12 o 22.801  2.9603  78.090    17.365    80.780    25.680    75.823    23.571    23.098  4.3094  22.505  4.0598  0.5933647      5.920522 
1 1 1 3   -34 13 o 42.024  2.3274  252.999   25.643    301.232   36.804    207.493   35.748    46.174  2.9919  37.874  3.5659  8.300041       4.654739 
1 1 1 3   -34 14 o 35.208  2.3785  178.104   22.152    179.934   31.701    176.358   30.968    35.369  3.3878  35.047  3.3394  0.3220367      4.756943 
1 1 1 3   -34 15 o 10.580  2.9642  9.4916    13.330    -5.2272   20.815    19.726    17.356    9.1489  4.1024  12.011  4.2798  -2.862143      5.928440 
1 1 1 3   -34 16 o 8.2281  2.5736  -3.0979   11.334    -12.3662  18.219    2.7533    14.476    7.8451  3.6372  8.6112  3.6419  -0.7660780     5.147110 
1 1 1 3   -34 17 o 22.228  3.0346  75.116    17.360    93.717    25.302    58.572    23.863    25.114  3.8870  19.341  4.6611  5.772707       6.069177 
1 1 1 3   -34 18 o 15.730  2.9607  32.680    15.123    70.117    22.859    3.5378    20.168    21.512  4.1172  9.9471  4.2558  11.56511       5.921397 
1 1 1 3   -34 19 o 11.336  3.0192  6.5798    14.084    34.152    21.930    -12.7748  18.373    14.845  4.8202  7.8265  3.6369  7.018293       6.038318 
1 1 1 3   -34 20 o 28.694  2.8367  123.832   21.059    111.526   30.090    135.646   29.483    27.058  4.2954  30.330  3.7063  -3.272295      5.673333 
1 1 1 3   -34 21 o 19.851  3.4676  62.487    18.726    84.186    27.705    44.237    25.408    23.183  4.6239  16.520  5.1687  6.662661       6.935141 
1 1 1 3   -34 22 o 24.356  3.1007  91.843    19.437    89.994    28.357    93.482    26.693    23.972  4.5835  24.739  4.1771  -0.7668438     6.201350 
1 1 1 3   -34 23 o 9.1042  2.8107  -2.5885   13.761    -19.7334  21.400    9.4988    17.969    7.9638  3.7706  10.244  4.1692  -2.280668      5.621339 
1 1 1 3   -34 24 o 32.249  2.6478  155.083   22.429    162.558   32.159    148.003   31.298    33.053  3.6958  31.445  3.7926  1.608124       5.295536 
1 1 1 3   -34 25 o 11.983  2.9945  9.1262    15.804    -29.6884  23.155    42.972    21.623    7.6892  3.7141  16.276  4.6983  -8.587265      5.989059 
1 1 1 3   -34 26 o 31.737  2.7650  152.970   22.926    165.083   32.489    140.956   32.355    33.171  3.7209  30.303  4.0910  2.868160       5.530006 
1 1 1 3   -34 27 o 26.681  3.1358  112.834   21.527    106.604   31.305    118.422   29.650    25.706  4.7205  27.657  4.1290  -1.950369      6.271519 
1 1 1 3   -34 28 f 10.957  3.2622  8.3910    16.920    -4.7266   25.240    19.097    22.802    9.8132  4.4482  12.101  4.7731  -2.287641      6.524466 
1 1 1 3   -34 29 o 9.0147  2.9173  -7.2039   15.682    -7.3978   23.947    -7.0584   20.750    9.3154  4.2646  8.7141  3.9820  0.6012497      5.834647 
1 1 1 3   -34 30 o 10.195  3.1748  1.7944    16.871    10.391    25.150    -5.2397   22.750    11.160  4.7630  9.2301  4.1990  1.930048       6.349609 
1 1 1 3   -34 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -34 32 o 19.216  5.6953  70.487    31.406    0.0000    0.0000    70.487    31.406    ?       ?       19.216  5.6953  ?              ?        
1 1 1 3   -34 33 o 10.534  3.2595  7.4639    17.634    1.2172    26.234    12.612    23.817    10.122  4.5663  10.946  4.6525  -0.8244753     6.518951 
1 1 1 3   -34 34 o 6.0708  2.1572  -54.4766  15.524    -60.9098  23.465    -49.4691  20.702    6.1551  3.0996  5.9865  3.0010  0.1685328      4.314368 
1 1 1 3   -34 35 f 27.449  3.3609  134.818   23.781    142.362   34.794    128.204   32.579    28.123  4.7907  26.775  4.7150  1.347973       6.721765 
1 1 1 3   -33 0  o 36.662  2.2836  190.950   22.121    211.434   31.936    172.058   30.671    38.637  3.1123  34.688  3.3424  3.949165       4.567105 
1 1 1 3   -33 1  o 21.339  2.6719  66.946    14.695    70.056    21.439    64.189    20.182    21.800  3.8103  20.878  3.7467  0.9220467      5.343733 
1 1 1 3   -33 2  o 28.022  2.5508  114.884   18.395    97.378    26.508    131.145   25.548    25.691  3.9810  30.353  3.1902  -4.661325      5.101549 
1 1 1 3   -33 3  o 22.245  2.8423  72.838    16.245    85.886    24.098    61.970    21.994    24.181  3.8498  20.309  4.1825  3.872290       5.684565 
1 1 1 3   -33 4  o 11.391  2.9678  16.333    11.916    13.265    18.595    18.471    15.522    11.126  4.3334  11.656  4.0563  -0.5300274     5.935610 
1 1 1 3   -33 5  o 11.832  2.8338  12.116    12.315    37.243    19.107    -5.7365   16.106    15.670  4.3816  7.9947  3.5949  7.675277       5.667572 
1 1 1 3   -33 6  o 23.232  2.8346  82.872    16.434    54.707    23.865    108.274   22.665    18.841  4.7347  27.623  3.1179  -8.782114      5.669133 
1 1 1 3   -33 7  o 42.099  2.1837  249.427   24.442    255.835   35.210    243.467   33.956    42.611  3.1064  41.588  3.0700  1.023609       4.367464 
1 1 1 3   -33 8  o 16.132  3.1613  37.118    14.397    55.578    22.586    24.484    18.685    19.124  4.4867  13.140  4.4546  5.984705       6.322532 
1 1 1 3   -33 9  o 22.106  2.9013  71.554    16.434    92.191    24.562    54.828    22.113    25.182  3.7564  19.030  4.4225  6.152205       5.802508 
1 1 1 3   -33 10 o 47.378  2.1646  315.024   27.302    316.447   39.380    313.707   37.884    47.442  3.1164  47.313  3.0050  0.1281509      4.329154 
1 1 1 3   -33 11 o 33.299  2.3300  159.194   20.138    132.091   28.979    184.504   28.004    30.298  3.6440  36.301  2.9045  -6.003443      4.659935 
1 1 1 3   -33 12 o 32.299  2.3119  147.464   19.686    159.592   28.751    136.758   27.012    33.573  3.2373  31.025  3.3013  2.548157       4.623704 
1 1 1 3   -33 13 o 24.803  2.7357  90.027    17.513    85.728    25.459    93.889    24.128    24.114  4.0876  25.491  3.6370  -1.376652      5.471423 
1 1 1 3   -33 14 o 7.9197  2.5265  -5.9830   11.043    -6.4718   17.937    -5.6846   14.013    8.4169  3.7884  7.4226  3.3439  0.9942627      5.053090 
1 1 1 3   -33 15 o 15.326  3.1824  34.815    13.889    41.194    21.009    29.863    18.512    16.451  4.5925  14.200  4.4067  2.251054       6.364786 
1 1 1 3   -33 16 o 8.9756  2.6885  -6.0745   11.834    15.176    18.999    -19.5453  15.127    11.524  4.4088  6.4269  3.0782  5.097425       5.377065 
1 1 1 3   -33 17 o 35.842  2.3791  184.012   22.243    151.895   31.341    216.603   31.572    32.449  3.6706  39.235  3.0276  -6.786472      4.758121 
1 1 1 3   -33 18 o 19.192  3.1809  56.258    16.419    75.201    23.652    38.640    22.810    22.498  4.0750  15.885  4.8854  6.612991       6.361823 
1 1 1 3   -33 19 o 15.924  2.9962  37.847    15.280    7.3837    22.277    64.917    21.000    10.911  4.5602  20.937  3.8876  -10.02681      5.992455 
1 1 1 3   -33 20 o 26.054  2.8166  100.291   18.945    112.589   27.214    88.728    26.389    27.759  3.7566  24.349  4.1978  3.410046       5.633224 
1 1 1 3   -33 21 o 11.719  3.1069  12.488    14.998    -9.6100   22.144    31.218    20.386    9.0506  4.1271  14.388  4.6452  -5.336955      6.213750 
1 1 1 3   -33 22 o 32.890  2.4543  156.452   21.286    162.199   30.294    150.848   29.915    33.526  3.4216  32.255  3.5197  1.270176       4.908700 
1 1 1 3   -33 23 o 9.5584  2.9517  -1.4217   14.427    7.1436    21.274    -8.7143   19.630    10.600  4.4453  8.5164  3.8844  2.083941       5.903369 
1 1 1 3   -33 24 o 29.599  2.7741  130.996   21.204    112.018   29.939    150.094   30.034    27.159  4.2554  32.040  3.5599  -4.880875      5.548111 
1 1 1 3   -33 25 o 12.559  3.3602  19.783    15.727    29.444    23.236    11.616    21.365    13.992  4.9556  11.127  4.5392  2.865078       6.720300 
1 1 1 3   -33 26 o 31.695  2.6114  149.021   21.752    150.788   30.986    147.305   30.543    31.878  3.6977  31.512  3.6884  0.3658428      5.222776 
1 1 1 3   -33 27 o 30.679  2.7541  141.901   22.105    139.551   31.614    144.149   30.919    30.350  3.9852  31.007  3.8025  -0.6569462     5.508264 
1 1 1 3   -33 28 o 14.807  3.5253  34.082    17.675    16.849    25.216    50.727    24.783    12.162  4.9430  17.453  5.0276  -5.290824      7.050556 
1 1 1 3   -33 29 o 10.095  3.0776  2.9604    15.239    12.343    22.759    -4.6644   20.517    11.241  4.6463  8.9480  4.0373  2.293242       6.155286 
1 1 1 3   -33 30 o 13.221  3.4817  26.346    16.978    15.840    26.405    33.751    22.168    12.051  4.9946  14.391  4.8522  -2.340052      6.963491 
1 1 1 3   -33 31 o 13.295  3.4916  25.230    17.034    39.831    25.414    13.321    22.953    15.298  5.1951  11.292  4.6665  4.005936       6.983246 
1 1 1 3   -33 32 o 20.444  3.6023  72.770    19.841    61.561    28.836    82.847    27.341    18.531  5.4478  22.356  4.7145  -3.824461      7.204516 
1 1 1 3   -33 33 o 14.679  3.7074  36.545    18.828    48.370    27.188    25.647    26.100    16.360  5.3697  12.998  5.1131  3.362035       7.414717 
1 1 1 3   -33 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -33 35 o 10.593  3.2315  7.8648    16.860    19.339    25.104    -1.5623   22.755    11.843  4.8861  9.3429  4.2303  2.500520       6.462923 
1 1 1 3   -33 36 o 14.115  3.5377  34.819    18.722    10.862    26.753    57.813    26.210    10.893  4.7788  17.337  5.2176  -6.443403      7.075361 
1 1 1 3   -33 37 o 29.435  3.2047  152.648   24.455    152.398   34.743    152.893   34.427    29.360  4.5664  29.510  4.4977  -0.1501408     6.409443 
1 1 1 3   -32 0  o 34.406  2.2837  167.459   20.622    195.021   29.869    142.357   28.505    37.243  3.0202  31.569  3.4262  5.674986       4.567315 
1 1 1 3   -32 1  o 10.743  2.8608  8.7228    11.966    25.266    18.443    -3.3046   15.726    13.291  4.4256  8.1946  3.6265  5.096160       5.721681 
1 1 1 3   -32 2  o 6.4438  2.1609  -19.3042  9.7610    -5.7955   15.522    -28.1401  12.554    7.8526  3.5302  5.0350  2.4931  2.817555       4.321807 
1 1 1 3   -32 3  o 29.722  2.3595  126.593   18.169    106.338   26.008    145.902   25.393    27.182  3.6656  32.262  2.9720  -5.079462      4.719090 
1 1 1 3   -32 4  o 53.505  2.1248  398.915   30.229    442.395   43.502    358.313   42.037    56.410  2.8888  50.600  3.1168  5.809990       4.249662 
1 1 1 3   -32 5  o 42.932  2.1344  256.854   24.338    279.560   35.094    235.814   33.782    44.809  2.9403  41.055  3.0948  3.754623       4.268855 
1 1 1 3   -32 6  o 54.805  2.1158  416.774   30.884    462.053   44.482    374.635   42.913    57.792  2.8736  51.818  3.1061  5.973499       4.231525 
1 1 1 3   -32 7  o 36.427  2.1933  185.076   21.102    208.637   30.597    163.701   29.143    38.709  2.9738  34.146  3.2246  4.562366       4.386518 
1 1 1 3   -32 8  o 30.877  2.3570  133.887   19.026    156.341   27.771    114.027   26.117    33.418  3.1395  28.337  3.5166  5.080256       4.714077 
1 1 1 3   -32 9  o 34.754  2.2551  169.182   20.738    167.053   29.845    171.169   28.836    34.503  3.2684  35.004  3.1079  -0.5009918     4.510181 
1 1 1 3   -32 10 o 19.865  2.9492  57.579    15.296    78.781    22.561    39.545    20.808    23.422  3.7207  16.308  4.5768  7.114351       5.898329 
1 1 1 3   -32 11 o 48.290  2.1371  323.993   27.486    314.545   39.122    333.202   38.624    47.555  3.0881  49.026  2.9551  -1.471020      4.274259 
1 1 1 3   -32 12 o 20.938  2.9178  63.860    15.761    76.017    23.016    53.127    21.626    22.939  3.8847  18.937  4.3546  4.002253       5.835556 
1 1 1 3   -32 13 o 17.071  3.1922  43.461    14.798    42.173    21.877    44.547    20.091    16.812  4.6841  17.331  4.3382  -0.5190964     6.384398 
1 1 1 3   -32 14 o 40.636  2.1915  230.046   23.664    238.179   33.705    222.139   33.231    41.365  3.0639  39.906  3.1342  1.459087       4.382954 
1 1 1 3   -32 15 o 45.556  2.1693  289.023   26.288    300.328   36.961    277.450   37.398    46.509  2.9827  44.604  3.1505  1.904644       4.338500 
1 1 1 3   -32 16 o 19.204  3.0319  54.008    15.749    82.372    23.245    29.940    21.412    23.933  3.7491  14.475  4.7660  9.458313       6.063877 
1 1 1 3   -32 17 o 56.132  2.1501  438.697   32.140    468.535   45.404    408.731   45.501    58.129  2.9255  54.135  3.1517  3.994400       4.300208 
1 1 1 3   -32 18 o 31.957  2.4468  144.577   20.588    152.915   29.499    136.658   28.748    32.895  3.3970  31.020  3.5225  1.874866       4.893631 
1 1 1 3   -32 19 o 25.191  2.7470  92.465    17.807    83.078    25.721    101.106   24.678    23.783  4.1908  26.599  3.5527  -2.815435      5.493985 
1 1 1 3   -32 20 o 35.054  2.3309  173.514   21.621    170.029   30.691    176.948   30.462    34.675  3.3461  35.433  3.2458  -0.7579994     4.661716 
1 1 1 3   -32 21 o 29.281  2.6738  125.945   19.774    94.714    28.243    155.977   27.695    25.289  4.3250  33.273  3.1449  -7.983541      5.347533 
1 1 1 3   -32 22 o 35.149  2.4187  176.615   22.345    191.917   31.157    160.411   32.063    36.871  3.1862  33.427  3.6400  3.443966       4.837449 
1 1 1 3   -32 23 o 29.568  2.6362  126.630   20.372    117.848   28.571    135.714   29.056    28.441  3.8495  30.695  3.6026  -2.254250      5.272324 
1 1 1 3   -32 24 o 18.849  3.2729  54.613    16.669    69.412    24.031    40.887    23.143    21.433  4.3349  16.264  4.9046  5.168463       6.545738 
1 1 1 3   -32 25 o 40.272  2.2965  231.268   24.555    235.701   34.611    226.775   34.841    40.697  3.2010  39.847  3.2939  0.8505020      4.593065 
1 1 1 3   -32 26 o 18.682  3.1957  52.903    17.008    85.685    25.206    25.499    23.045    23.887  4.0864  13.477  4.9145  10.41033       6.391466 
1 1 1 3   -32 27 o 22.698  3.1723  79.540    18.587    92.062    26.938    68.161    25.679    24.599  4.2417  20.797  4.7181  3.801332       6.344525 
1 1 1 3   -32 28 o 12.556  3.3557  21.117    15.477    18.603    22.841    23.252    21.044    12.283  4.7974  12.829  4.6935  -0.5461702     6.711497 
1 1 1 3   -32 29 o 10.660  2.9875  6.5917    14.522    -16.6650  21.646    25.625    19.582    8.2351  3.8659  13.084  4.5558  -4.849038      5.974995 
1 1 1 3   -32 30 o 19.976  3.2262  68.523    19.045    23.073    28.046    107.415   25.944    13.222  5.2686  26.731  3.7248  -13.50926      6.452351 
1 1 1 3   -32 31 o 26.134  3.0831  108.910   20.439    87.620    29.551    128.435   28.300    23.074  4.9312  29.195  3.7022  -6.121490      6.166223 
1 1 1 3   -32 32 o 22.351  3.3231  81.589    19.231    82.932    28.129    80.410    26.351    22.416  4.8278  22.287  4.5678  0.1289463      6.646192 
1 1 1 3   -32 33 o 9.1779  2.9428  -6.1398   15.650    2.5489    23.339    -13.2379  21.095    10.106  4.4476  8.2502  3.8548  1.855433       5.885641 
1 1 1 3   -32 34 o 12.848  3.5441  24.125    17.614    28.958    25.848    19.934    24.067    13.521  5.1495  12.175  4.8709  1.345555       7.088223 
1 1 1 3   -32 35 o 13.982  3.6430  32.962    17.998    36.389    25.836    29.731    25.087    14.481  5.2151  13.484  5.0881  0.9962540      7.286022 
1 1 1 3   -32 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -32 37 o 9.5952  3.0797  -1.4138   17.163    3.6766    25.158    -5.8455   23.473    10.135  4.5298  9.0549  4.1736  1.080534       6.159394 
1 1 1 3   -32 38 o 15.767  3.8349  49.935    19.571    57.161    29.051    43.930    26.482    16.646  5.5549  14.888  5.2885  1.757728       7.669793 
1 1 1 3   -32 39 o 12.704  3.5435  29.856    18.564    15.955    26.826    42.632    25.717    11.044  4.8166  14.364  5.1986  -3.320208      7.086978 
1 1 1 3   -31 0  o 35.138  2.1972  172.917   20.425    186.359   29.163    159.975   28.616    36.536  3.0067  33.740  3.2049  2.795597       4.394487 
1 1 1 3   -31 1  o 13.223  2.9771  23.566    12.171    34.341    18.268    14.966    16.320    15.251  4.2913  11.195  4.1276  4.055642       5.954195 
1 1 1 3   -31 2  o 37.603  2.0978  196.461   20.956    196.683   29.777    196.243   29.497    37.618  2.9796  37.587  2.9537  0.3068542E-01  4.195515 
1 1 1 3   -31 3  o 14.759  2.7314  32.415    12.322    9.5519    18.494    50.668    16.525    10.697  4.2732  18.822  3.4031  -8.124686      5.462761 
1 1 1 3   -31 4  o 37.617  2.1403  197.105   21.284    180.813   30.526    212.516   29.691    36.015  3.1978  39.220  2.8457  -3.205601      4.280601 
1 1 1 3   -31 5  o 16.136  2.6966  35.168    12.330    63.239    18.993    14.723    16.209    21.081  3.4855  11.191  4.1154  9.889901       5.393110 
1 1 1 3   -31 6  o 22.024  2.6418  69.045    14.975    78.979    21.903    60.325    20.520    23.591  3.5786  20.456  3.8872  3.135283       5.283586 
1 1 1 3   -31 7  o 27.182  2.3867  103.671   16.975    104.172   24.726    103.225   23.348    27.210  3.4717  27.155  3.2762  0.5520630E-01  4.773496 
1 1 1 3   -31 8  o 34.277  2.1942  162.890   19.919    165.373   28.659    160.570   27.705    34.520  3.1337  34.034  3.0723  0.4859505      4.388489 
1 1 1 3   -31 9  o 47.648  2.0908  312.738   26.511    334.865   37.826    291.374   37.167    49.346  2.8743  45.949  3.0371  3.397137       4.181523 
1 1 1 3   -31 10 o 49.892  2.0913  342.809   27.811    336.971   39.622    348.478   39.045    49.450  3.0057  50.335  2.9084  -0.8846207     4.182503 
1 1 1 3   -31 11 o 46.299  2.1038  295.551   25.927    285.248   36.949    305.544   36.390    45.467  3.0517  47.131  2.8966  -1.663994      4.207561 
1 1 1 3   -31 12 o 9.8435  2.7096  6.7915    11.238    -9.1686   18.024    16.941    14.373    8.2809  3.7557  11.406  3.9068  -3.125236      5.419227 
1 1 1 3   -31 13 o 39.978  2.1322  220.599   22.661    223.549   32.355    217.758   31.747    40.238  3.0242  39.718  3.0065  0.5202141      4.264366 
1 1 1 3   -31 14 f 22.045  2.7858  70.471    15.563    97.023    22.539    46.275    21.516    26.339  3.2648  17.751  4.5148  8.588484       5.571611 
1 1 1 3   -31 15 o 20.647  2.9742  61.922    15.875    61.067    22.957    62.706    21.977    20.467  4.3232  20.826  4.0857  -0.3585606     5.948364 
1 1 1 3   -31 16 o 26.846  2.5863  102.034   17.902    120.371   25.756    84.896    24.899    29.335  3.3374  24.358  3.9519  4.977442       5.172576 
1 1 1 3   -31 17 o 23.551  2.7672  79.499    16.822    78.616    24.340    80.307    23.275    23.378  4.0327  23.724  3.7904  -0.3461761     5.534476 
1 1 1 3   -31 18 o 31.155  2.4051  137.207   19.507    119.261   28.119    153.857   27.083    29.028  3.7006  33.282  3.0728  -4.253481      4.810112 
1 1 1 3   -31 19 o 35.201  2.2779  173.920   20.968    202.105   29.616    145.593   29.691    38.226  2.9145  32.176  3.5016  6.049927       4.555832 
1 1 1 3   -31 20 o 14.360  3.2000  29.283    14.232    18.860    20.737    38.564    19.569    12.547  4.6475  16.174  4.4001  -3.627768      6.400020 
1 1 1 3   -31 21 o 52.575  2.1235  383.120   29.770    389.589   41.901    376.526   42.305    53.049  2.9607  52.101  3.0448  0.9482727      4.246939 
1 1 1 3   -31 22 o 42.305  2.1785  249.541   24.481    256.364   34.083    242.269   35.186    42.957  2.9806  41.652  3.1778  1.305187       4.356913 
1 1 1 3   -31 23 o 15.798  3.3615  37.078    15.385    39.061    22.094    35.211    21.437    16.166  4.7732  15.431  4.7345  0.7348719      6.723036 
1 1 1 3   -31 24 o 24.278  2.7907  85.399    17.487    93.073    25.693    78.775    23.870    25.325  3.9138  23.232  3.9791  2.093662       5.581336 
1 1 1 3   -31 25 o 10.843  3.0961  9.0377    13.924    14.840    20.754    4.2878    18.777    11.773  4.5801  9.9117  4.1674  1.861768       6.192288 
1 1 1 3   -31 26 o 27.949  2.6660  114.144   19.211    98.737    27.570    128.683   26.782    25.877  4.1156  30.021  3.3901  -4.143524      5.332055 
1 1 1 3   -31 27 o 16.900  3.2843  42.434    16.067    63.195    23.849    25.181    21.741    20.354  4.4947  13.445  4.7901  6.908521       6.568659 
1 1 1 3   -31 28 o 26.699  2.7338  105.290   18.917    99.796    27.269    110.387   26.265    25.892  4.0660  27.507  3.6554  -1.615047      5.467513 
1 1 1 3   -31 29 o 10.992  3.0318  4.1245    14.639    30.132    21.884    -16.9371  19.693    14.159  4.8207  7.8253  3.6780  6.333494       6.063587 
1 1 1 3   -31 30 o 13.048  3.3702  23.339    15.920    12.236    23.273    33.105    21.826    11.500  4.7197  14.597  4.8122  -3.096685      6.740431 
1 1 1 3   -31 31 o 13.700  3.4240  27.282    15.819    37.315    23.783    19.322    21.183    15.243  5.0232  12.157  4.6542  3.086740       6.847931 
1 1 1 3   -31 32 o 31.237  2.6144  145.381   21.331    165.213   31.206    127.988   29.224    33.373  3.5453  29.100  3.8433  4.272938       5.228755 
1 1 1 3   -31 33 o 25.744  3.0994  104.155   20.407    127.815   29.890    83.497    27.930    28.864  3.9714  22.625  4.7597  6.239075       6.198892 
1 1 1 3   -31 34 o 19.869  3.4256  65.372    18.270    82.924    27.007    50.562    24.808    22.549  4.6267  17.189  5.0530  5.360388       6.851236 
1 1 1 3   -31 35 o 14.255  3.6149  33.723    17.614    37.927    24.927    29.531    24.894    14.907  5.1429  13.603  5.0814  1.304063       7.229854 
1 1 1 3   -31 36 o 9.0526  2.9127  -8.7989   16.050    -23.9165  22.731    6.2320    22.666    7.8028  3.7468  10.302  4.4605  -2.499555      5.825343 
1 1 1 3   -31 37 o 8.4822  2.7795  -12.6566  15.524    -27.7861  22.482    1.1318    21.462    7.4745  3.6227  9.4898  4.2163  -2.015244      5.558938 
1 1 1 3   -31 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -31 39 o 13.174  3.5917  29.166    18.941    45.880    26.806    12.500    26.768    15.296  5.3300  11.052  4.8160  4.244331       7.183497 
1 1 1 3   -31 40 o 12.672  3.2636  15.468    18.970    61.822    26.787    -31.1721  26.870    17.488  5.2774  7.8555  3.8412  9.632820       6.527249 
1 1 1 3   -30 0  o 21.543  2.6989  66.927    14.942    62.138    21.757    71.202    20.557    20.702  4.0688  22.385  3.5469  -1.682713      5.397708 
1 1 1 3   -30 1  o 76.899  2.2483  814.898   46.263    865.225   66.185    766.815   64.692    79.262  3.1175  74.536  3.2404  4.726219       4.496553 
1 1 1 3   -30 2  o 20.875  2.4823  61.722    13.374    66.191    19.283    57.580    18.564    21.639  3.4423  20.111  3.5773  1.527987       4.964510 
1 1 1 3   -30 3  o 18.444  2.6498  48.565    12.637    56.136    18.454    41.880    17.341    19.858  3.6021  17.029  3.8873  2.829041       5.299632 
1 1 1 3   -30 4  o 9.9242  2.7287  6.3842    10.715    17.069    16.536    -1.3490   14.068    11.749  4.1784  8.0998  3.5105  3.648932       5.457359 
1 1 1 3   -30 5  o 18.964  2.7850  51.546    13.655    53.381    20.095    49.971    18.612    19.260  4.0250  18.668  3.8502  0.5923843      5.569983 
1 1 1 3   -30 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -30 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -30 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -30 9  o 25.579  2.6454  91.236    17.463    85.786    23.103    98.501    26.674    24.725  3.5936  26.433  3.8832  -1.707535      5.290889 
1 1 1 3   -30 10 o 32.450  2.1529  145.107   18.446    157.422   26.290    133.166   25.887    33.851  2.9284  31.048  3.1567  2.802553       4.305836 
1 1 1 3   -30 11 o 28.589  2.3561  113.797   17.559    129.343   24.993    98.644    24.675    30.616  3.0900  26.562  3.5577  4.054234       4.712223 
1 1 1 3   -30 12 o 40.609  2.0676  226.622   22.220    252.762   31.514    200.781   31.334    43.008  2.7501  38.209  3.0881  4.799282       4.135126 
1 1 1 3   -30 13 f 7.7819  2.4331  -7.3506   10.169    3.4326    15.670    -15.1946  13.365    9.2483  3.8416  6.3156  2.9871  2.932656       4.866253 
1 1 1 3   -30 14 o 7.9480  2.4774  -7.2147   10.354    4.2429    16.412    -14.7887  13.344    9.5505  3.9464  6.3455  2.9962  3.205041       4.954900 
1 1 1 3   -30 15 o 14.762  2.9013  29.520    12.838    47.987    18.730    13.159    17.631    18.285  3.9405  11.238  4.2595  7.047003       5.802695 
1 1 1 3   -30 16 o 22.201  2.6915  69.881    15.424    71.895    22.163    67.990    21.479    22.517  3.8106  21.886  3.8021  0.6310406      5.382983 
1 1 1 3   -30 17 o 54.759  2.1099  413.416   30.536    477.802   43.099    348.517   43.270    59.217  2.7173  50.302  3.2286  8.914360       4.219872 
1 1 1 3   -30 18 o 17.895  2.6882  48.347    14.143    8.1838    20.415    85.409    19.611    10.978  4.4528  24.811  3.0128  -13.83248      5.376331 
1 1 1 3   -30 19 o 40.178  2.1339  222.559   22.758    209.314   32.245    235.704   32.124    38.942  3.1176  41.413  2.9146  -2.471195      4.267780 
1 1 1 3   -30 20 o 31.420  2.3184  137.063   19.203    129.590   26.576    145.230   27.780    30.507  3.3052  32.333  3.2519  -1.825993      4.636736 
1 1 1 3   -30 21 o 28.924  3.5259  117.421   26.751    117.421   26.751    0.0000    0.0000    28.924  3.5259  ?       ?       ?              ?        
1 1 1 3   -30 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -30 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -30 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -30 25 o 15.342  3.1048  34.564    14.631    14.831    21.669    51.097    19.835    12.023  4.6792  18.660  4.0821  -6.637094      6.209552 
1 1 1 3   -30 26 o 14.697  3.2926  31.168    14.495    34.658    21.602    28.309    19.550    15.340  4.7604  14.053  4.5501  1.286992       6.585220 
1 1 1 3   -30 27 o 29.344  2.4706  123.104   18.924    112.110   27.100    133.566   26.438    27.935  3.7140  30.754  3.2592  -2.818703      4.941216 
1 1 1 3   -30 28 o 18.851  3.1715  54.480    16.027    40.515    23.073    67.499    22.278    16.320  4.8919  21.382  4.0379  -5.062590      6.343098 
1 1 1 3   -30 29 o 27.845  2.6011  112.068   18.889    116.945   27.758    107.861   25.779    28.379  3.7431  27.311  3.6127  1.067820       5.202114 
1 1 1 3   -30 30 o 37.903  2.3171  204.755   23.167    231.814   33.421    179.726   32.142    40.440  3.1092  35.366  3.4365  5.074078       4.634281 
1 1 1 3   -30 31 o 15.184  3.1280  33.561    16.089    3.3549    23.539    60.045    22.041    10.572  4.5614  19.796  4.2814  -9.224087      6.255964 
1 1 1 3   -30 32 o 8.8548  2.8363  -7.5045   14.652    -15.0695  21.635    -1.0945   19.915    8.3970  3.9168  9.3126  4.1032  -0.9156513     5.672508 
1 1 1 3   -30 33 o 41.575  2.3257  250.164   25.595    279.785   37.440    224.173   35.071    43.972  3.2008  39.178  3.3749  4.793407       4.651406 
1 1 1 3   -30 34 o 33.403  2.5171  165.854   22.144    169.823   32.277    162.325   30.437    33.716  3.6314  33.089  3.4867  0.6267166      5.034283 
1 1 1 3   -30 35 o 19.040  3.5064  60.816    18.043    65.714    26.415    56.532    24.704    19.749  4.9913  18.330  4.9261  1.419197       7.012779 
1 1 1 3   -30 36 o 28.668  2.8958  128.771   21.586    126.314   30.868    131.122   30.198    28.294  4.2007  29.042  3.9872  -0.7489796     5.791644 
1 1 1 3   -30 37 o 23.000  3.3689  90.087    20.185    116.240   28.514    63.818    28.577    27.171  4.0410  18.829  5.3914  8.342314       6.737747 
1 1 1 3   -30 38 o 13.376  3.5162  26.620    18.107    7.9832    25.442    45.748    25.775    10.811  4.7034  15.941  5.2282  -5.130008      7.032477 
1 1 1 3   -30 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -30 40 o 19.243  3.9643  73.927    21.768    69.558    32.465    77.494    29.339    18.313  5.8567  20.174  5.3444  -1.860876      7.928644 
1 1 1 3   -30 41 o 19.473  3.7288  75.689    20.766    97.375    29.599    54.668    29.142    22.888  4.9705  16.059  5.5596  6.829317       7.457528 
1 1 1 3   -30 42 o 12.500  3.6156  30.337    19.512    40.378    27.950    20.792    27.250    13.629  5.3114  11.371  4.9070  2.258065       7.231174 
1 1 1 3   -29 0  o 11.792  2.7336  16.700    10.550    28.614    15.653    6.7834    14.281    14.148  3.9693  9.4355  3.7596  4.712416       5.467180 
1 1 1 3   -29 1  o 40.329  2.5049  228.790   25.411    213.937   42.312    237.169   31.781    39.050  4.1069  41.609  2.8692  -2.558704      5.009874 
1 1 1 3   -29 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -29 3  o 47.369  4.5890  315.789   57.493    315.789   57.493    0.0000    0.0000    47.369  4.5890  ?       ?       ?              ?        
1 1 1 3   -29 4  o 34.471  2.0908  163.475   18.915    191.465   27.056    136.717   26.453    37.449  2.7158  31.493  3.1796  5.956745       4.181520 
1 1 1 3   -29 5  o 31.144  2.0750  132.853   17.034    149.002   24.653    118.101   23.563    32.996  2.8165  29.292  3.0480  3.704037       4.150035 
1 1 1 3   -29 6  o 40.840  1.9833  227.551   21.561    231.327   30.793    223.919   30.201    41.173  2.8090  40.508  2.8007  0.6653328      3.966625 
1 1 1 3   -29 7  o 66.730  2.0742  605.325   37.054    632.603   52.907    579.061   51.913    68.218  2.8955  65.242  2.9707  2.976105       4.148388 
1 1 1 3   -29 8  o 69.499  2.1237  656.984   39.514    686.007   56.360    628.927   55.415    71.023  2.9627  67.975  3.0436  3.047623       4.247474 
1 1 1 3   -29 9  o 56.539  2.0248  435.277   30.562    439.122   43.451    431.511   42.995    56.786  2.8660  56.292  2.8610  0.4937897      4.049577 
1 1 1 3   -29 10 o 49.245  2.0061  330.377   26.347    325.759   37.268    334.991   37.252    48.893  2.8582  49.596  2.8158  -0.7026138     4.012264 
1 1 1 3   -29 11 o 14.584  2.8566  28.550    12.089    44.201    18.111    15.975    16.234    17.600  3.9400  11.568  4.1374  6.031468       5.713276 
1 1 1 3   -29 12 o 36.419  2.0782  181.453   20.095    184.274   28.310    178.588   28.530    36.715  2.9024  36.122  2.9752  0.5930824      4.156441 
1 1 1 3   -29 13 o 9.1003  2.6691  3.0874    10.615    5.0122    15.994    1.5722    14.191    9.5999  3.9232  8.6008  3.6200  0.9990864      5.338103 
1 1 1 3   -29 14 o 62.106  2.0563  524.924   34.165    550.192   48.081    499.156   48.554    63.644  2.8205  60.567  2.9930  3.077171       4.112538 
1 1 1 3   -29 15 o 42.235  2.0477  244.061   22.978    256.206   32.132    231.349   32.872    43.349  2.7821  41.121  3.0053  2.227150       4.095372 
1 1 1 3   -29 16 o 51.900  2.0453  367.253   28.306    351.277   39.575    383.986   40.502    50.731  2.9248  53.069  2.8599  -2.338020      4.090696 
1 1 1 3   -29 17 o 65.913  2.0734  591.409   36.601    590.354   51.411    592.495   52.120    65.860  2.9144  65.966  2.9498  -0.1063766     4.146702 
1 1 1 3   -29 18 o 61.709  2.0453  519.195   33.751    547.105   47.403    490.496   48.067    63.429  2.7901  59.990  2.9915  3.439049       4.090689 
1 1 1 3   -29 19 o 22.181  2.7086  69.600    15.506    72.347    22.132    66.951    21.731    22.633  3.7844  21.728  3.8762  0.9054699      5.417278 
1 1 1 3   -29 20 o 29.391  2.2934  119.925   17.641    134.084   25.037    105.964   24.861    31.197  3.0346  27.585  3.4395  3.611931       4.586835 
1 1 1 3   -29 21 f 22.173  2.6580  70.497    14.991    53.834    21.200    87.164    21.203    19.320  4.2151  25.026  3.2391  -5.705240      5.315948 
1 1 1 3   -29 22 o 19.780  2.9274  56.430    15.014    52.465    21.280    60.359    21.186    19.035  4.2779  20.525  3.9974  -1.490408      5.854897 
1 1 1 3   -29 23 o 16.459  2.9831  38.200    14.392    61.892    20.734    16.174    19.992    20.811  3.8618  12.106  4.5476  8.705092       5.966112 
1 1 1 3   -29 24 o 65.522  2.0914  588.441   36.704    587.394   51.774    589.500   52.042    65.466  2.9526  65.578  2.9628  -0.1120605     4.182861 
1 1 1 3   -29 25 o 18.283  3.1111  48.578    15.065    56.515    22.262    41.872    20.462    19.667  4.3421  16.899  4.4568  2.768389       6.222285 
1 1 1 3   -29 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -29 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -29 28 o 12.194  3.2267  17.533    14.188    16.558    20.988    18.354    19.253    12.166  4.6387  12.221  4.4866  -0.5505943E-01 6.453404 
1 1 1 3   -29 29 o 20.058  3.0717  59.575    16.036    69.148    23.460    51.179    21.969    21.652  4.1967  18.463  4.4864  3.188551       6.143304 
1 1 1 3   -29 30 o 19.162  3.2006  56.850    16.333    43.320    24.319    67.968    22.045    16.829  5.0171  21.495  3.9754  -4.666204      6.401217 
1 1 1 3   -29 31 o 33.933  2.4310  164.061   21.624    190.458   31.546    140.664   29.700    36.632  3.2488  31.233  3.6171  5.399296       4.861917 
1 1 1 3   -29 32 o 32.343  2.5145  151.198   21.370    153.835   31.423    148.928   29.149    32.530  3.6706  32.156  3.4376  0.3744507      5.028925 
1 1 1 3   -29 33 o 11.305  3.2108  11.528    15.104    20.326    21.975    3.6499    20.794    12.533  4.7542  10.077  4.3167  2.455941       6.421544 
1 1 1 3   -29 34 f 19.340  3.2965  59.208    17.221    78.439    25.157    42.250    23.624    22.507  4.3302  16.172  4.9716  6.335539       6.592983 
1 1 1 3   -29 35 o 18.479  3.4378  56.677    17.673    42.409    25.450    69.967    24.561    15.986  5.1928  20.973  4.5066  -4.986120      6.875617 
1 1 1 3   -29 36 o 16.845  3.1001  44.448    17.330    5.5648    24.662    82.377    24.358    10.707  4.6444  22.983  4.1076  -12.27526      6.200190 
1 1 1 3   -29 37 o 12.021  3.3516  16.021    16.899    32.755    24.138    -0.0676   23.667    14.137  5.0461  9.9048  4.4126  4.232123       6.703301 
1 1 1 3   -29 38 o 12.276  3.4549  20.742    17.092    23.884    23.998    17.507    24.350    12.687  4.9280  11.864  4.8436  0.8235750      6.909816 
1 1 1 3   -29 39 o 13.563  3.5925  28.575    18.311    43.685    26.492    14.753    25.337    15.582  5.3041  11.545  4.8468  4.036839       7.185075 
1 1 1 3   -29 40 o 33.968  2.8818  185.266   25.575    202.126   36.354    168.746   35.985    35.797  3.8522  32.140  4.2871  3.656952       5.763549 
1 1 1 3   -29 41 o 20.158  6.4216  90.025    39.060    0.0000    0.0000    90.025    39.060    ?       ?       20.158  6.4216  ?              ?        
1 1 1 3   -29 42 o 21.473  3.8772  92.065    22.440    85.871    32.056    98.016    31.424    20.418  5.6633  22.528  5.2970  -2.109982      7.754383 
1 1 1 3   -29 43 o 13.319  3.7443  37.578    20.146    45.149    28.817    30.340    28.175    14.212  5.4315  12.425  5.1554  1.787032       7.488591 
1 1 1 3   -28 0  o 52.897  2.0185  381.879   28.448    361.412   40.505    401.802   39.962    51.461  2.9509  54.333  2.7550  -2.871723      4.037077 
1 1 1 3   -28 1  o 27.055  2.2104  100.868   15.717    103.562   22.617    98.352    21.858    27.406  3.1376  26.705  3.1143  0.7013721      4.420780 
1 1 1 3   -28 2  o 50.197  2.0111  344.241   26.795    307.819   38.041    380.104   37.748    47.497  3.0057  52.897  2.6729  -5.400162      4.022235 
1 1 1 3   -28 3  o 11.381  2.3322  14.770    9.6840    -8.9675   14.588    33.469    12.948    7.3609  3.3540  15.400  3.2416  -8.039496      4.664428 
1 1 1 3   -28 4  o 43.793  1.9588  260.974   22.850    257.326   32.620    264.487   32.017    43.480  2.8161  44.106  2.7235  -0.6257935     3.917668 
1 1 1 3   -28 5  o 23.610  2.3149  77.236    14.218    77.125    20.727    77.335    19.541    23.568  3.3801  23.652  3.1639  -0.8387184E-01 4.629857 
1 1 1 3   -28 6  o 88.118  2.2954  1055.90   54.170    1074.58   77.341    1037.92   75.896    88.882  3.2487  87.355  3.2437  1.527420       4.590802 
1 1 1 3   -28 7  o 20.152  2.4390  56.402    12.579    70.375    18.595    44.612    17.080    22.548  3.1661  17.756  3.7108  4.792397       4.877986 
1 1 1 3   -28 8  o 46.824  1.9968  298.075   24.925    297.278   35.409    298.858   35.092    46.758  2.8407  46.891  2.8069  -0.1326332     3.993581 
1 1 1 3   -28 9  o 15.525  2.8391  34.810    12.136    25.024    17.986    42.988    16.443    13.611  4.3599  17.439  3.6379  -3.828331      5.678267 
1 1 1 3   -28 10 o 53.565  1.9657  389.291   28.125    373.780   39.879    404.641   39.671    52.450  2.8493  54.680  2.7087  -2.230091      3.931350 
1 1 1 3   -28 11 o 29.955  2.1714  123.369   17.043    140.261   24.259    106.905   23.950    32.052  2.8556  27.857  3.2721  4.194740       4.342889 
1 1 1 3   -28 12 o 79.616  2.1811  860.625   46.511    856.539   65.826    864.698   65.728    79.424  3.0942  79.809  3.0748  -0.3842773     4.362163 
1 1 1 3   -28 13 f 39.067  2.0148  207.745   20.906    193.084   29.168    223.233   29.980    37.628  2.9168  40.506  2.7801  -2.878654      4.029503 
1 1 1 3   -28 14 o 30.294  2.1529  125.815   17.208    118.130   24.172    133.712   24.503    29.329  3.1252  31.260  2.9618  -1.931376      4.305744 
1 1 1 3   -28 15 o 65.854  2.0404  588.226   35.985    595.402   50.630    580.902   51.154    66.269  2.8524  65.438  2.9185  0.8305817      4.080895 
1 1 1 3   -28 16 o 43.276  1.9911  254.788   22.901    232.587   31.926    278.318   32.868    41.306  2.9042  45.247  2.7247  -3.941460      3.982252 
1 1 1 3   -28 17 o 31.308  2.1383  134.389   17.706    136.253   24.992    132.510   25.088    31.535  2.9948  31.081  3.0529  0.4534245      4.276615 
1 1 1 3   -28 18 o 17.958  2.9156  46.669    13.895    58.511    19.386    34.158    19.926    20.379  3.6872  15.537  4.5175  4.841983       5.831194 
1 1 1 3   -28 19 o 10.650  2.8554  10.410    11.589    2.6014    16.707    17.650    16.088    9.4205  3.9443  11.879  4.1297  -2.458294      5.710724 
1 1 1 3   -28 20 o 64.758  2.0311  570.252   35.209    585.803   49.461    554.276   50.133    65.673  2.8118  63.843  2.9317  1.830524       4.062141 
1 1 1 3   -28 21 o 33.893  2.1559  158.925   18.947    123.068   26.471    196.588   27.130    29.820  3.3736  37.966  2.6852  -8.146622      4.311738 
1 1 1 3   -28 22 o 42.702  2.0379  249.267   23.172    246.044   32.639    252.542   32.903    42.421  2.8898  42.984  2.8744  -0.5635796     4.075869 
1 1 1 3   -28 23 o 14.645  2.9617  28.963    12.904    44.953    18.982    15.224    17.596    17.679  4.0899  11.610  4.2849  6.069466       5.923450 
1 1 1 3   -28 24 o 49.350  2.0180  333.101   26.559    337.314   37.627    328.918   37.495    49.667  2.8402  49.033  2.8674  0.6337204      4.035905 
1 1 1 3   -28 25 o 60.023  2.0539  492.931   32.937    516.439   46.660    469.586   46.499    61.515  2.8319  58.531  2.9758  2.984043       4.107891 
1 1 1 3   -28 26 o 18.627  3.0442  50.791    14.889    45.593    21.840    55.305    20.351    17.657  4.5792  19.597  4.0123  -1.939766      6.088312 
1 1 1 3   -28 27 o 18.928  2.9962  52.422    14.799    48.378    21.670    55.957    20.260    18.163  4.4818  19.694  3.9777  -1.531118      5.992382 
1 1 1 3   -28 28 o 38.836  2.1888  208.922   22.438    239.180   32.361    180.906   31.139    41.629  2.9208  36.042  3.2609  5.587151       4.377700 
1 1 1 3   -28 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -28 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -28 31 o 10.764  2.8753  -0.4513   13.684    30.934    20.684    -24.8811  18.248    14.566  4.6764  6.9624  3.3468  7.603636       5.750669 
1 1 1 3   -28 32 o 20.134  3.1860  61.356    16.750    59.945    23.985    62.699    23.403    19.860  4.5994  20.408  4.4100  -0.5484486     6.371988 
1 1 1 3   -28 33 o 24.742  2.9359  92.041    18.566    79.408    27.016    103.345   25.557    22.827  4.5780  26.658  3.6771  -3.831131      5.871898 
1 1 1 3   -28 34 o 18.983  3.3302  56.331    16.920    64.125    24.299    48.993    23.575    20.342  4.5711  17.625  4.8442  2.717447       6.660398 
1 1 1 3   -28 35 o 28.400  2.6943  120.071   19.926    115.850   28.754    123.972   27.639    27.793  3.9758  29.007  3.6373  -1.214537      5.388652 
1 1 1 3   -28 36 o 10.415  3.0363  2.8378    15.253    -18.6219  21.974    22.795    21.191    8.1534  3.8484  12.676  4.6975  -4.522620      6.072603 
1 1 1 3   -28 37 o 33.836  2.6436  172.606   23.549    168.046   33.324    177.155   33.283    33.324  3.8016  34.348  3.6747  -1.024208      5.287285 
1 1 1 3   -28 38 f 14.040  3.5302  30.428    17.678    14.608    24.965    46.341    25.038    11.680  4.8500  16.399  5.1309  -4.719212      7.060354 
1 1 1 3   -28 39 o 12.440  3.4344  18.581    17.766    37.835    25.452    0.2861    24.810    14.819  5.1920  10.060  4.4972  4.759201       6.868866 
1 1 1 3   -28 40 o 13.198  3.6313  27.060    18.583    20.492    25.805    34.135    26.783    12.268  4.9950  14.128  5.2721  -1.859928      7.262541 
1 1 1 3   -28 41 o 17.214  3.8440  56.100    20.526    70.507    28.816    41.259    29.246    19.522  5.3514  14.906  5.5196  4.616034       7.687905 
1 1 1 3   -28 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -28 43 o 12.822  3.6259  28.237    19.825    44.835    27.940    11.407    28.134    14.755  5.4067  10.888  4.8330  3.866979       7.251892 
1 1 1 3   -28 44 o 8.8802  2.9857  -10.5770  19.285    -12.6621  26.205    -8.1133   28.484    8.5919  4.0977  9.1685  4.3437  -0.5766811     5.971453 
1 1 1 3   -27 0  o 18.762  2.4164  49.501    11.671    46.926    16.899    51.848    16.137    18.246  3.5857  19.278  3.2401  -1.031914      4.832805 
1 1 1 3   -27 1  o 26.889  2.1504  99.276    15.211    99.432    21.773    99.128    21.261    26.902  3.0770  26.876  3.0049  0.2600479E-01  4.300839 
1 1 1 3   -27 2  o 61.942  2.0576  521.651   33.971    479.452   48.311    562.921   47.777    59.385  3.0475  64.499  2.7655  -5.113819      4.115269 
1 1 1 3   -27 3  o 127.779 2.8440  2233.78   97.309    2192.45   138.341   2274.26   136.902   126.570 4.0807  128.988 3.9625  -2.418610      5.688001 
1 1 1 3   -27 4  o 95.051  2.3684  1227.21   60.294    1232.71   85.882    1221.86   84.668    95.254  3.3661  94.847  3.3328  0.4069595      4.736866 
1 1 1 3   -27 5  o 22.919  2.2586  72.450    13.469    77.711    19.416    67.570    18.700    23.748  3.1287  22.090  3.2584  1.658024       4.517296 
1 1 1 3   -27 6  o 82.898  2.2284  931.441   49.467    927.189   70.649    935.530   69.284    82.701  3.1894  83.096  3.1129  -0.3950348     4.456734 
1 1 1 3   -27 7  o 29.691  2.0576  120.744   16.087    111.273   23.026    129.776   22.486    28.509  3.0634  30.873  2.7479  -2.364237      4.115255 
1 1 1 3   -27 8  o 39.019  1.9748  206.658   20.498    211.803   29.352    201.760   28.638    39.495  2.7926  38.543  2.7929  0.9523697      3.949601 
1 1 1 3   -27 9  o 12.498  2.9573  20.053    11.599    21.600    17.327    18.798    15.613    12.889  4.2894  12.107  4.0722  0.7818165      5.914544 
1 1 1 3   -27 10 o 36.382  1.9742  180.131   19.007    200.123   27.060    160.662   26.704    38.416  2.6460  34.349  2.9305  4.067192       3.948349 
1 1 1 3   -27 11 o 72.234  2.0819  705.909   40.249    738.704   56.984    673.262   56.856    73.925  2.8779  70.544  3.0090  3.380814       4.163720 
1 1 1 3   -27 12 o 86.417  2.2414  1011.54   51.877    995.176   73.319    1027.95   73.412    85.710  3.1937  87.124  3.1458  -1.414886      4.482872 
1 1 1 3   -27 13 o 26.981  2.2502  100.036   15.780    83.946    21.921    117.340   22.734    24.649  3.4119  29.314  2.9348  -4.665419      4.500443 
1 1 1 3   -27 14 o 17.594  2.7463  43.731    12.599    47.065    18.082    40.585    17.566    18.263  3.8193  16.925  3.9473  1.338337       5.492551 
1 1 1 3   -27 15 o 55.380  1.9551  414.418   28.996    410.047   40.576    418.980   41.452    55.085  2.7501  55.676  2.7796  -0.5914345     3.910151 
1 1 1 3   -27 16 o 87.871  2.2430  1046.79   52.787    1031.33   74.176    1062.66   75.138    87.213  3.1754  88.530  3.1687  -1.316910      4.485914 
1 1 1 3   -27 17 o 65.918  2.0385  588.159   35.985    589.031   50.429    587.255   51.364    65.975  2.8537  65.862  2.9117  0.1135483      4.076928 
1 1 1 3   -27 18 o 54.950  1.9510  409.359   28.639    421.244   40.135    397.029   40.879    55.814  2.6847  54.086  2.8317  1.728573       3.902042 
1 1 1 3   -27 19 o 74.753  2.1063  758.251   42.144    781.802   59.194    734.041   60.016    75.952  2.9097  73.554  3.0463  2.398277       4.212662 
1 1 1 3   -27 20 o 38.962  1.9832  206.814   20.545    214.160   28.974    199.384   29.136    39.676  2.7433  38.248  2.8648  1.427330       3.966466 
1 1 1 3   -27 21 o 63.789  1.9968  551.772   34.116    546.830   48.026    556.805   48.472    63.501  2.8236  64.078  2.8242  -0.5764084     3.993586 
1 1 1 3   -27 22 o 79.221  2.1495  853.575   45.599    828.191   64.321    879.222   64.654    78.022  3.0778  80.421  3.0015  -2.398605      4.299058 
1 1 1 3   -27 23 o 43.559  1.9855  259.426   22.888    225.191   32.180    294.479   32.562    40.582  2.9813  46.537  2.6230  -5.954502      3.970940 
1 1 1 3   -27 24 o 52.312  1.9798  372.928   27.639    375.603   39.218    370.289   38.958    52.500  2.7990  52.125  2.8006  0.3741570      3.959542 
1 1 1 3   -27 25 o 29.171  2.3623  120.200   17.590    92.834    25.269    145.929   24.502    25.711  3.7823  32.631  2.8314  -6.919594      4.724672 
1 1 1 3   -27 26 o 33.050  2.2109  152.708   19.008    129.084   27.700    173.733   26.132    30.476  3.4544  35.624  2.7602  -5.147608      4.421716 
1 1 1 3   -27 27 o 25.895  2.4873  94.343    16.706    86.246    24.049    101.895   23.224    24.724  3.7491  27.066  3.2697  -2.342609      4.974615 
1 1 1 3   -27 28 o 49.464  2.0405  335.671   26.906    335.286   38.601    336.036   37.524    49.419  2.9293  49.510  2.8415  -0.9102249E-01 4.081086 
1 1 1 3   -27 29 o 44.904  2.0881  278.673   24.874    258.154   35.759    297.910   34.624    43.223  3.1095  46.584  2.7877  -3.361198      4.176187 
1 1 1 3   -27 30 o 57.722  2.1034  459.348   32.395    464.571   46.602    454.464   45.064    58.021  3.0090  57.423  2.9397  0.5977287      4.206709 
1 1 1 3   -27 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -27 32 o 27.645  3.8201  109.785   27.531    0.0000    0.0000    109.785   27.531    ?       ?       27.645  3.8201  ?              ?        
1 1 1 3   -27 33 o 46.170  2.2023  298.462   26.989    330.214   38.838    268.812   37.531    48.627  2.9965  43.712  3.2283  4.915012       4.404670 
1 1 1 3   -27 34 o 13.260  3.2828  21.464    15.373    38.793    22.538    6.3870    21.022    15.934  4.8480  10.586  4.4277  5.347915       6.565670 
1 1 1 3   -27 35 o 46.536  2.2931  309.441   28.273    282.311   40.369    335.558   39.608    44.361  3.4240  48.711  3.0512  -4.349373      4.586242 
1 1 1 3   -27 36 o 10.473  3.1739  3.5809    16.040    10.573    23.186    -2.8360   22.213    11.312  4.6837  9.6337  4.2844  1.678399       6.347733 
1 1 1 3   -27 37 f 10.727  3.1858  7.3085    15.759    15.112    22.180    -0.6466   22.395    11.650  4.6706  9.8050  4.3340  1.844682       6.371655 
1 1 1 3   -27 38 o 41.032  2.4556  249.992   26.576    225.295   37.839    274.034   37.334    38.769  3.6883  43.295  3.2430  -4.525921      4.911270 
1 1 1 3   -27 39 o 13.810  3.5905  30.454    17.446    29.955    24.493    30.967    24.856    13.727  5.0573  13.892  5.0981  -0.1646299     7.180983 
1 1 1 3   -27 40 f 21.374  3.4700  78.225    19.622    93.375    27.768    63.117    27.730    23.906  4.5019  18.843  5.2819  5.063171       6.940080 
1 1 1 3   -27 41 o 22.604  3.5182  90.967    21.342    57.649    30.412    123.294   29.956    17.454  5.6768  27.755  4.1575  -10.30079      7.036421 
1 1 1 3   -27 42 o 28.149  3.4924  137.681   25.221    153.284   35.379    121.556   35.964    30.358  4.4861  25.941  5.3536  4.417276       6.984702 
1 1 1 3   -27 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -27 44 o 14.980  3.8766  45.991    21.360    27.255    29.637    66.241    30.811    12.470  5.2391  17.489  5.7152  -5.018498      7.753138 
1 1 1 3   -27 45 o 12.728  3.3558  17.220    21.063    69.486    28.702    -43.7793  31.008    17.675  5.4876  7.7812  3.8641  9.894003       6.711551 
1 1 1 3   -26 0  o 32.194  1.9821  141.150   16.920    140.169   24.008    142.118   23.851    32.078  2.8229  32.310  2.7831  -0.2314835     3.964158 
1 1 1 3   -26 1  o 81.831  2.2041  906.767   48.302    903.847   68.862    909.595   67.770    81.693  3.1471  81.969  3.0867  -0.2766800     4.408175 
1 1 1 3   -26 2  o 46.585  1.9334  293.829   24.000    309.504   34.324    278.837   33.570    47.812  2.6912  45.358  2.7765  2.454441       3.866713 
1 1 1 3   -26 3  o 83.832  2.2012  950.441   49.421    958.361   70.475    942.777   69.324    84.172  3.1259  83.492  3.0999  0.6803131      4.402387 
1 1 1 3   -26 4  o 83.848  2.2153  950.826   49.737    937.839   70.889    963.417   69.801    83.272  3.1783  84.424  3.0868  -1.151367      4.430563 
1 1 1 3   -26 5  o 77.721  2.1506  816.169   44.758    804.789   63.736    827.242   62.868    77.177  3.0832  78.265  2.9990  -1.087776      4.301167 
1 1 1 3   -26 6  o 48.560  1.9226  318.784   24.902    324.151   35.604    313.643   34.843    48.960  2.7258  48.160  2.7122  0.8001747      3.845235 
1 1 1 3   -26 7  f 119.827 2.6985  1947.20   86.544    2050.21   123.238   1846.98   121.561   122.982 3.7412  116.671 3.8899  6.311012       5.397060 
1 1 1 3   -26 8  o 107.183 2.5278  1555.16   72.568    1559.36   103.193   1551.06   102.069   107.321 3.5898  107.045 3.5599  0.2763824      5.055665 
1 1 1 3   -26 9  o 65.522  2.0139  579.037   35.310    611.088   50.113    547.437   49.760    67.334  2.7786  63.710  2.9160  3.623764       4.027852 
1 1 1 3   -26 10 o 25.730  2.2715  91.041    15.189    103.552   21.613    78.831    21.351    27.550  2.9762  23.910  3.4324  3.640041       4.542985 
1 1 1 3   -26 11 o 61.598  1.9879  511.627   32.787    523.854   46.156    499.173   46.582    62.348  2.7638  60.848  2.8581  1.499550       3.975891 
1 1 1 3   -26 12 o 117.833 2.6441  1880.98   83.446    1854.88   117.978   1907.12   118.043   117.006 3.7644  118.661 3.7140  -1.654472      5.288207 
1 1 1 3   -26 13 o 79.834  2.1348  860.080   45.634    831.267   64.285    889.346   64.789    78.478  3.0582  81.190  2.9793  -2.711349      4.269532 
1 1 1 3   -26 14 o 116.195 2.5900  1829.72   80.555    1902.55   113.844   1756.68   114.000   118.539 3.5856  113.851 3.7384  4.688828       5.179923 
1 1 1 3   -26 15 o 52.726  1.9295  375.868   27.148    395.465   38.108    355.673   38.685    54.176  2.6262  51.277  2.8276  2.898758       3.859016 
1 1 1 3   -26 16 o 101.644 2.4115  1398.60   65.643    1409.70   92.301    1387.24   93.375    102.063 3.3764  101.225 3.4439  0.8377914      4.822924 
1 1 1 3   -26 17 o 33.506  2.0679  154.019   18.148    177.563   25.474    129.755   25.861    36.195  2.6459  30.818  3.1786  5.377432       4.135729 
1 1 1 3   -26 18 o 16.695  2.8467  39.568    12.849    51.954    18.208    27.282    18.135    19.256  3.6642  14.135  4.3576  5.121275       5.693406 
1 1 1 3   -26 19 o 64.319  1.9856  558.662   34.203    549.580   47.950    568.070   48.802    63.787  2.8065  64.851  2.8096  -1.063564      3.971167 
1 1 1 3   -26 20 o 49.228  1.9260  328.739   25.256    347.600   35.587    309.599   35.849    50.675  2.6309  47.780  2.8136  2.895355       3.852010 
1 1 1 3   -26 21 o 119.308 2.6730  1940.48   85.418    1937.15   120.590   1943.84   121.009   119.207 3.7768  119.409 3.7835  -0.2021255     5.345930 
1 1 1 3   -26 22 o 12.597  2.9640  20.187    12.068    12.169    17.383    27.648    16.768    11.110  4.2250  14.084  4.1583  -2.974076      5.928069 
1 1 1 3   -26 23 o 52.652  1.9503  376.362   27.405    384.795   38.976    368.117   38.540    53.241  2.7425  52.063  2.7737  1.177658       3.900589 
1 1 1 3   -26 24 o 24.673  2.5155  86.537    15.469    115.673   22.092    58.517    21.665    29.062  2.8759  20.284  4.1281  8.777533       5.031058 
1 1 1 3   -26 25 o 106.300 2.5072  1546.25   71.358    1600.93   101.262   1492.31   100.572   108.200 3.4941  104.401 3.5965  3.799088       5.014338 
1 1 1 3   -26 26 o 27.109  2.3091  101.815   16.391    100.219   23.841    103.245   22.572    26.871  3.3877  27.346  3.1385  -0.4749317     4.618125 
1 1 1 3   -26 27 o 13.243  3.0549  22.799    12.677    31.325    18.679    15.519    17.261    14.867  4.3886  11.618  4.2507  3.249290       6.109719 
1 1 1 3   -26 28 o 29.500  2.2990  121.681   17.646    106.080   25.540    135.932   24.410    27.564  3.5412  31.437  2.9328  -3.873541      4.597990 
1 1 1 3   -26 29 o 14.351  3.1682  28.033    13.854    38.328    20.131    18.770    19.096    16.270  4.4782  12.433  4.4828  3.836154       6.336424 
1 1 1 3   -26 30 o 28.049  2.5476  111.423   18.106    143.264   26.092    81.850    25.146    32.180  3.0642  23.918  4.0709  8.261215       5.095294 
1 1 1 3   -26 31 o 20.776  2.9640  63.107    15.896    55.161    22.969    70.410    22.022    19.374  4.5106  22.178  3.8465  -2.804171      5.927994 
1 1 1 3   -26 32 o 13.543  3.3017  24.144    14.886    32.254    20.800    15.630    21.313    14.956  4.6761  12.129  4.6625  2.826775       6.603384 
1 1 1 3   -26 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -26 34 o 51.617  2.1955  373.291   30.131    353.354   43.338    391.945   41.920    50.178  3.2418  53.055  2.9617  -2.876644      4.391031 
1 1 1 3   -26 35 o 14.645  2.9296  23.429    15.934    -15.3618  22.327    63.695    22.748    8.6719  4.0227  20.618  4.2600  -11.94647      5.859126 
1 1 1 3   -26 36 o 14.680  3.5296  31.979    16.745    37.838    23.616    26.054    23.747    15.663  4.9935  13.696  4.9896  1.967940       7.059165 
1 1 1 3   -26 37 o 27.796  2.8752  116.618   20.501    98.716    29.189    134.047   28.800    25.352  4.4614  30.239  3.6282  -4.887693      5.750468 
1 1 1 3   -26 38 o 33.133  2.6291  163.148   22.916    170.040   32.740    156.529   32.085    33.867  3.6679  32.398  3.7677  1.468231       5.258240 
1 1 1 3   -26 39 o 27.345  3.2238  120.857   22.005    80.748    30.882    162.226   31.364    21.761  5.3385  32.929  3.6154  -11.16803      6.447548 
1 1 1 3   -26 40 o 40.289  2.6545  246.644   28.252    266.424   40.491    227.880   39.438    42.018  3.6335  38.559  3.8708  3.459320       5.309048 
1 1 1 3   -26 41 f 13.731  3.6671  30.607    18.558    35.245    25.928    25.736    26.573    14.391  5.2182  13.072  5.1537  1.318971       7.334157 
1 1 1 3   -26 42 o 9.0442  2.9139  -11.9183  16.962    9.3396    22.394    -40.5301  25.980    10.546  4.4976  7.5422  3.7062  3.003976       5.827871 
1 1 1 3   -26 43 o 14.789  3.9585  41.069    21.517    38.203    29.876    44.159    31.014    14.411  5.5249  15.166  5.6706  -0.7547798     7.917096 
1 1 1 3   -26 44 o 9.3351  3.1180  -14.5677  20.767    -1.9035   28.728    -28.4297  30.056    10.040  4.6237  8.6302  4.1843  1.409789       6.235965 
1 1 1 3   -26 45 o 14.140  3.6002  32.682    21.141    -6.2461   29.334    74.757    30.497    9.5625  4.4927  18.718  5.6270  -9.155888      7.200489 
1 1 1 3   -25 0  o 22.007  2.2441  67.388    12.684    56.758    18.129    77.581    17.753    20.199  3.4763  23.816  2.8389  -3.617550      4.488222 
1 1 1 3   -25 1  o 109.946 2.5695  1636.73   75.662    1669.13   107.754   1605.23   106.266   111.022 3.6236  108.869 3.6442  2.152740       5.139070 
1 1 1 3   -25 2  o 174.462 3.5870  4158.86   167.610   4216.08   237.953   4102.51   236.130   175.663 5.0573  173.260 5.0882  2.403137       7.173993 
1 1 1 3   -25 3  o 56.504  1.9640  429.891   29.720    440.055   42.406    420.080   41.664    57.161  2.7697  55.847  2.7853  1.314182       3.928035 
1 1 1 3   -25 4  o 73.279  2.0850  723.366   40.921    733.690   58.329    713.361   57.423    73.793  2.9511  72.764  2.9463  1.028809       4.170090 
1 1 1 3   -25 5  o 24.612  2.2337  83.901    14.149    69.403    20.233    97.778    19.795    22.417  3.4828  26.808  2.7980  -4.391178      4.467493 
1 1 1 3   -25 6  o 38.904  1.9318  204.912   19.969    193.412   28.378    216.191   28.105    37.804  2.8230  40.004  2.6378  -2.200684      3.863561 
1 1 1 3   -25 7  o 152.380 3.1739  3148.01   129.537   3144.15   183.950   3151.80   182.444   152.279 4.5100  152.482 4.4671  -0.2029266     6.347799 
1 1 1 3   -25 8  o 65.623  2.0162  579.480   35.421    604.282   50.401    555.275   49.791    67.015  2.8079  64.231  2.8941  2.784264       4.032377 
1 1 1 3   -25 9  o 91.217  2.2908  1121.69   55.914    1182.40   79.266    1061.56   78.885    93.688  3.1587  88.745  3.3186  4.943016       4.581573 
1 1 1 3   -25 10 o 60.198  1.9627  487.458   31.646    483.522   44.573    491.459   44.937    59.953  2.7757  60.443  2.7757  -0.4900742     3.925422 
1 1 1 3   -25 11 o 109.118 2.4945  1606.49   72.882    1655.28   103.106   1557.76   103.035   110.786 3.4746  107.450 3.5801  3.336182       4.988993 
1 1 1 3   -25 12 o 50.803  1.9569  348.174   26.520    346.138   37.027    350.319   38.003    50.654  2.7393  50.952  2.7953  -0.2982521     3.913723 
1 1 1 3   -25 13 o 24.697  2.4677  84.118    15.803    76.552    22.460    91.535    22.238    23.538  3.6832  25.857  3.2851  -2.318787      4.935388 
1 1 1 3   -25 14 o 162.607 3.3252  3589.43   144.820   3623.68   204.598   3555.04   205.016   163.397 4.6748  161.817 4.7301  1.580536       6.650449 
1 1 1 3   -25 15 o 55.959  1.9268  421.026   28.868    406.911   40.200    436.056   41.482    54.991  2.7293  56.927  2.7206  -1.936115      3.853601 
1 1 1 3   -25 16 o 15.102  2.9299  31.825    12.560    21.660    18.016    41.439    17.520    13.037  4.3743  17.168  3.8990  -4.130853      5.859801 
1 1 1 3   -25 17 o 77.051  2.0859  800.824   43.001    835.340   60.397    765.340   61.237    78.750  2.8633  75.352  3.0341  3.398315       4.171876 
1 1 1 3   -25 18 o 63.298  1.9471  539.732   33.006    547.682   46.470    531.639   46.887    63.772  2.7205  62.823  2.7864  0.9494400      3.894264 
1 1 1 3   -25 19 o 65.800  1.9615  583.797   34.547    602.443   48.586    564.729   49.133    66.872  2.7126  64.728  2.8340  2.144463       3.922946 
1 1 1 3   -25 20 o 43.223  1.9211  253.098   22.100    263.111   30.946    242.676   31.571    44.114  2.6310  42.333  2.8002  1.781197       3.842267 
1 1 1 3   -25 21 o 45.450  1.9372  281.233   23.221    328.481   32.960    234.669   32.721    49.316  2.5035  41.585  2.9569  7.730980       3.874376 
1 1 1 3   -25 22 o 75.985  2.0920  780.380   42.572    794.229   60.247    766.568   60.164    76.664  2.9340  75.306  2.9828  1.358116       4.183908 
1 1 1 3   -25 23 o 54.969  1.9492  408.661   28.641    421.394   40.803    396.293   40.214    55.854  2.7274  54.085  2.7854  1.768536       3.898344 
1 1 1 3   -25 24 o 105.268 2.4991  1507.70   70.459    1533.28   100.055   1482.53   99.237    106.160 3.5188  104.375 3.5497  1.785767       4.998182 
1 1 1 3   -25 25 o 14.360  2.9817  27.735    12.672    39.963    18.544    17.024    17.356    16.747  4.1542  11.973  4.2783  4.774070       5.963355 
1 1 1 3   -25 26 o 9.8219  2.6458  2.0995    11.014    21.226    16.430    -13.5128  14.844    12.667  4.1751  6.9769  3.2510  5.689954       5.291529 
1 1 1 3   -25 27 o 21.727  2.6151  65.990    14.627    74.970    21.539    58.305    19.926    23.149  3.5901  20.304  3.8036  2.844656       5.230273 
1 1 1 3   -25 28 o 39.245  2.0501  210.808   21.348    207.908   31.125    213.384   29.336    38.958  3.0060  39.532  2.7884  -0.5736313     4.100146 
1 1 1 3   -25 29 o 36.637  2.1176  184.270   20.558    183.831   29.990    184.659   28.237    36.567  3.0909  36.707  2.8955  -0.1405220     4.235242 
1 1 1 3   -25 30 o 28.200  2.3820  112.096   17.334    95.940    25.320    126.348   23.782    26.122  3.7243  30.278  2.9707  -4.156191      4.763936 
1 1 1 3   -25 31 o 51.518  2.0843  364.407   28.627    358.306   40.895    370.269   40.088    51.070  3.0028  51.965  2.8915  -0.8953629     4.168682 
1 1 1 3   -25 32 o 34.117  2.3066  161.270   20.658    188.318   30.132    137.282   28.376    36.897  3.0770  31.336  3.4372  5.560900       4.613262 
1 1 1 3   -25 33 f 44.633  2.1757  276.352   25.801    262.804   36.920    289.283   36.070    43.502  3.1909  45.764  2.9585  -2.261505      4.351339 
1 1 1 3   -25 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -25 35 o 37.452  2.4254  197.615   24.015    211.206   35.252    185.844   32.805    38.651  3.4411  36.253  3.4188  2.398682       4.850709 
1 1 1 3   -25 36 o 16.618  3.5196  42.148    17.008    48.983    24.401    35.689    23.720    17.808  4.9415  15.428  5.0132  2.379797       7.039241 
1 1 1 3   -25 37 o 32.740  2.6895  157.524   22.875    137.972   32.910    175.799   31.817    30.502  4.1348  34.978  3.4406  -4.476099      5.379039 
1 1 1 3   -25 38 o 29.000  2.9626  127.627   21.866    155.131   31.095    100.724   30.755    32.550  3.6283  25.450  4.6843  7.100525       5.925113 
1 1 1 3   -25 39 o 6.6071  2.2942  -35.6428  14.032    -40.3586  20.315    -31.3408  19.404    6.4840  3.2034  6.7301  3.2851  -0.2461157     4.588484 
1 1 1 3   -25 40 o 26.993  3.2984  117.561   22.506    83.308    31.173    154.854   32.527    22.097  5.3288  31.889  3.8886  -9.792404      6.596804 
1 1 1 3   -25 41 o 10.671  3.3032  4.9599    17.860    3.5721    23.805    6.7469    27.013    10.278  4.5085  11.063  4.8289  -0.7844934     6.606393 
1 1 1 3   -25 42 o 22.272  3.7969  87.998    22.365    83.485    30.740    93.073    32.602    21.683  5.3303  22.861  5.4087  -1.177517      7.593861 
1 1 1 3   -25 43 o 23.600  3.6189  103.148   23.772    153.858   33.404    51.108    33.839    31.006  4.1245  16.195  5.9476  14.81136       7.237799 
1 1 1 3   -25 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -25 45 o 10.224  3.3066  1.3472    20.251    -1.9660   27.795    5.0957    29.565    9.8501  4.5406  10.598  4.8080  -0.7480087     6.613138 
1 1 1 3   -25 46 f 11.539  3.6077  19.103    21.958    12.337    30.074    26.827    32.136    10.867  4.8968  12.212  5.2993  -1.345599      7.215383 
1 1 1 3   -24 0  o 73.696  2.1051  731.477   41.551    734.928   59.152    728.115   58.380    73.866  2.9898  73.526  2.9644  0.3395996      4.210261 
1 1 1 3   -24 1  f 111.036 2.5532  1663.69   75.926    1694.65   108.069   1633.52   106.696   112.058 3.6006  110.014 3.6209  2.044518       5.106347 
1 1 1 3   -24 2  o 52.268  1.9263  368.339   26.874    370.127   38.166    366.581   37.847    52.393  2.7291  52.142  2.7194  0.2510033      3.852666 
1 1 1 3   -24 3  o 94.571  2.3617  1204.58   59.821    1214.57   85.106    1194.83   84.102    94.957  3.3461  94.185  3.3338  0.7725601      4.723432 
1 1 1 3   -24 4  o 215.813 4.2686  6348.34   246.743   6403.59   349.944   6293.71   347.959   216.752 6.0276  214.873 6.0458  1.878967       8.537234 
1 1 1 3   -24 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 8  o 47.181  4.3231  302.958   54.026    302.958   54.026    0.0000    0.0000    47.181  4.3231  ?       ?       ?              ?        
1 1 1 3   -24 9  o 20.165  2.8879  57.648    14.917    63.037    19.813    50.596    22.666    21.351  3.5921  18.979  4.5229  2.371664       5.775801 
1 1 1 3   -24 10 o 20.188  2.6029  56.571    13.555    55.532    19.016    57.646    19.327    19.994  3.6866  20.382  3.6754  -0.3877296     5.205709 
1 1 1 3   -24 11 o 139.784 2.9509  2636.06   110.484   2635.15   156.151   2636.96   156.346   139.761 4.1713  139.808 4.1751  -0.4699707E-01 5.901784 
1 1 1 3   -24 12 o 158.650 3.2157  3402.13   136.554   3547.32   193.142   3257.01   193.091   162.065 4.4494  155.234 4.6439  6.831375       6.431400 
1 1 1 3   -24 13 o 104.947 2.4104  1482.43   67.750    1454.92   95.414    1510.40   96.217    103.963 3.4265  105.932 3.3911  -1.969368      4.820786 
1 1 1 3   -24 14 o 84.758  2.1600  965.826   49.030    944.771   68.650    987.746   70.048    83.815  3.0580  85.700  3.0516  -1.885765      4.320099 
1 1 1 3   -24 15 o 57.068  2.3016  444.534   33.358    457.323   41.619    421.561   55.783    58.339  2.6634  55.797  3.7543  2.542187       4.603129 
1 1 1 3   -24 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 20 o 52.229  1.9079  367.874   26.610    384.961   37.532    350.604   37.732    53.495  2.6194  50.963  2.7746  2.531124       3.815740 
1 1 1 3   -24 21 o 103.846 2.4338  1456.59   67.689    1480.46   95.693    1432.68   95.762    104.705 3.4121  102.987 3.4715  1.718414       4.867656 
1 1 1 3   -24 22 o 127.706 2.8029  2211.33   95.875    2231.72   135.764   2191.04   135.412   128.299 3.9507  127.114 3.9772  1.184975       5.605877 
1 1 1 3   -24 23 o 27.997  2.2474  108.616   16.210    86.955    23.087    129.678   22.765    25.105  3.5308  30.889  2.7814  -5.783884      4.494738 
1 1 1 3   -24 24 o 42.820  1.9413  248.298   22.125    250.305   32.065    246.475   30.568    42.975  2.8010  42.664  2.6887  0.3113899      3.882620 
1 1 1 3   -24 25 o 37.434  1.9881  190.531   19.744    187.809   28.763    192.958   27.152    37.160  2.9131  37.708  2.7063  -0.5479813     3.976229 
1 1 1 3   -24 26 f 44.062  1.9463  263.147   22.832    271.181   33.208    255.944   31.444    44.694  2.7879  43.430  2.7167  1.263783       3.892701 
1 1 1 3   -24 27 o 20.637  2.6670  59.833    14.162    60.979    20.884    58.858    19.270    20.795  3.8925  20.478  3.6469  0.3164291      5.333949 
1 1 1 3   -24 28 o 44.541  1.9803  270.182   23.476    267.890   33.966    272.279   32.484    44.340  2.8755  44.742  2.7236  -0.4023819     3.960605 
1 1 1 3   -24 29 o 40.755  2.0152  226.469   21.843    234.071   31.667    219.570   30.170    41.404  2.8733  40.107  2.8265  1.296574       4.030487 
1 1 1 3   -24 30 o 29.548  2.3392  122.348   17.818    98.272    25.382    145.740   25.019    26.503  3.6744  32.594  2.8959  -6.091812      4.678446 
1 1 1 3   -24 31 o 24.633  2.6617  85.337    16.891    99.209    24.513    72.796    23.307    26.646  3.5208  22.621  3.9927  4.025389       5.323318 
1 1 1 3   -24 32 o 78.755  2.2457  850.940   47.361    875.306   67.329    827.073   66.635    79.888  3.1465  77.622  3.2050  2.266541       4.491391 
1 1 1 3   -24 33 o 17.533  3.2322  45.117    15.382    40.520    21.842    49.642    21.668    16.650  4.6949  18.416  4.4436  -1.766249      6.464334 
1 1 1 3   -24 34 o 53.345  2.1751  393.365   30.944    398.950   44.069    387.934   43.461    53.720  3.0755  52.970  3.0765  0.7496643      4.350137 
1 1 1 3   -24 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 36 o 7.5147  3.5809  -23.4091  19.923    0.0000    0.0000    -23.4091  19.923    ?       ?       7.5147  3.5809  ?              ?        
1 1 1 3   -24 37 o 12.244  3.3082  15.133    15.710    3.3893    21.561    28.423    22.938    10.344  4.4123  14.144  4.9303  -3.799581      6.616412 
1 1 1 3   -24 38 o 41.925  2.5206  254.278   27.851    226.079   39.560    281.989   39.216    39.403  3.7953  44.447  3.3180  -5.044239      5.041216 
1 1 1 3   -24 39 o 25.031  3.1706  96.793    20.443    90.741    29.190    102.619   28.639    24.093  4.6920  25.969  4.2656  -1.875315      6.341112 
1 1 1 3   -24 40 o 14.738  3.5553  32.851    18.374    51.703    25.379    12.082    26.637    17.653  5.0884  11.822  4.9668  5.830427       7.110651 
1 1 1 3   -24 41 o 11.836  3.4532  15.189    17.727    16.670    24.088    13.439    26.182    11.911  4.8348  11.761  4.9318  0.1503372      6.906369 
1 1 1 3   -24 42 o 20.691  3.7107  75.146    20.810    87.098    29.302    62.982    29.559    22.703  4.9575  18.678  5.5228  4.025106       7.421463 
1 1 1 3   -24 43 o 15.315  3.7918  40.802    20.586    59.651    28.641    20.656    29.610    18.025  5.4609  12.605  5.2620  5.420441       7.583527 
1 1 1 3   -24 44 o 10.544  3.3111  3.9860    18.775    -2.3553   26.068    10.821    27.063    9.8779  4.4941  11.210  4.8637  -1.331707      6.622144 
1 1 1 3   -24 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -24 46 o 11.721  3.5747  19.711    20.384    16.840    27.859    23.018    29.903    11.360  4.9318  12.082  5.1760  -0.7223473     7.149356 
1 1 1 3   -24 47 o 10.451  3.3627  8.6015    20.723    -2.4242   28.230    21.485    30.515    9.4464  4.4283  11.456  5.0617  -2.009676      6.725389 
1 1 1 3   -23 0  o 147.031 3.8486  2967.98   142.577   2830.95   244.591   3038.50   175.473   144.084 6.3378  149.979 4.3681  -5.894302      7.697235 
1 1 1 3   -23 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -23 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -23 3  o 48.931  1.9296  322.527   25.172    337.707   35.796    307.676   35.405    50.079  2.6783  47.783  2.7784  2.295757       3.859114 
1 1 1 3   -23 4  o 254.092 4.8993  8792.00   333.425   8727.73   472.374   8855.81   470.699   253.143 6.9668  255.041 6.8904  -1.897217      9.798635 
1 1 1 3   -23 5  o 84.912  2.1690  968.614   49.321    992.531   69.978    945.005   69.526    85.956  3.0395  83.868  3.0950  2.087944       4.337923 
1 1 1 3   -23 6  o 241.749 4.7019  7937.90   304.453   7983.43   431.401   7892.73   429.728   242.443 6.6433  241.055 6.6556  1.387268       9.403745 
1 1 1 3   -23 7  o 12.431  2.8750  19.913    11.090    16.795    15.965    22.820    15.416    11.825  4.1138  13.037  4.0174  -1.212455      5.750001 
1 1 1 3   -23 8  o 167.655 3.4063  3791.13   152.958   3837.08   216.792   3745.58   215.843   168.671 4.7986  166.639 4.8359  2.032394       6.812634 
1 1 1 3   -23 9  o 152.335 3.1505  3127.04   128.506   3224.18   182.033   3030.54   181.438   154.706 4.3929  149.963 4.5170  4.742630       6.300912 
1 1 1 3   -23 10 o 106.745 2.4920  1531.85   71.246    1544.73   100.540   1518.87   100.976   107.198 3.5016  106.292 3.5467  0.9061661      4.984019 
1 1 1 3   -23 11 f 43.403  1.9480  253.565   22.495    235.184   31.253    273.324   32.404    41.761  2.8104  45.045  2.6982  -3.284111      3.895953 
1 1 1 3   -23 12 o 61.607  1.9474  509.172   32.123    496.347   44.739    522.821   46.153    60.807  2.7469  62.406  2.7611  -1.599834      3.894762 
1 1 1 3   -23 13 o 107.539 2.4491  1554.57   70.536    1519.37   99.234    1590.51   100.280   106.306 3.4851  108.771 3.4420  -2.465401      4.898276 
1 1 1 3   -23 14 o 65.412  1.9676  574.429   34.464    571.914   48.127    577.076   49.377    65.266  2.7530  65.557  2.8120  -0.2903061     3.935297 
1 1 1 3   -23 15 o 53.540  1.9117  386.585   27.270    412.129   38.052    359.611   39.102    55.410  2.5639  51.669  2.8362  3.741116       3.823305 
1 1 1 3   -23 16 o 139.881 2.9252  2637.02   109.593   2658.56   154.665   2615.29   155.312   140.460 4.1110  139.302 4.1625  1.158325       5.850405 
1 1 1 3   -23 17 o 47.600  1.8756  305.302   23.811    310.344   33.444    300.120   33.909    48.004  2.6109  47.196  2.6935  0.8082886      3.751268 
1 1 1 3   -23 18 o 99.714  2.3079  1337.64   61.636    1348.49   86.869    1326.65   87.466    100.124 3.2392  99.303  3.2884  0.8208618      4.615839 
1 1 1 3   -23 19 o 68.388  1.9807  628.664   36.263    602.417   51.093    655.306   51.476    66.945  2.8494  69.831  2.7521  -2.885536      3.961453 
1 1 1 3   -23 20 o 110.956 2.5104  1659.23   74.600    1685.24   105.396   1633.12   105.604   111.834 3.5185  110.078 3.5817  1.755180       5.020839 
1 1 1 3   -23 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -23 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -23 23 o 48.396  1.9243  315.929   24.828    331.112   35.687    301.686   34.564    49.528  2.7003  47.263  2.7421  2.264572       3.848504 
1 1 1 3   -23 24 o 97.276  2.3429  1277.61   61.034    1313.13   87.049    1243.26   85.600    98.610  3.2958  95.942  3.3310  2.667862       4.685884 
1 1 1 3   -23 25 o 12.716  3.0702  20.289    12.523    20.364    18.533    20.225    16.989    12.830  4.4340  12.602  4.2478  0.2279959      6.140380 
1 1 1 3   -23 26 o 31.811  2.1140  137.498   17.773    146.800   25.977    129.312   24.369    32.829  2.9869  30.794  2.9923  2.035372       4.227931 
1 1 1 3   -23 27 o 80.413  2.1396  874.595   46.066    905.813   66.117    845.144   64.218    81.809  3.0173  79.017  3.0342  2.791779       4.279117 
1 1 1 3   -23 28 o 12.288  2.8000  14.904    12.202    36.257    17.835    -3.8890   16.731    15.975  4.1357  8.6001  3.7759  7.375389       5.600085 
1 1 1 3   -23 29 o 13.593  3.0034  24.322    12.557    34.731    18.180    14.827    17.364    15.629  4.2366  11.557  4.2581  4.071855       6.006721 
1 1 1 3   -23 30 o 50.629  2.0269  349.813   27.323    336.956   39.348    361.786   37.971    49.695  2.9697  51.564  2.7593  -1.868721      4.053744 
1 1 1 3   -23 31 o 12.908  3.0520  19.755    13.278    34.021    19.128    6.4878    18.446    15.443  4.4072  10.373  4.2231  5.070575       6.103915 
1 1 1 3   -23 32 o 42.110  2.1266  243.269   23.806    243.344   34.391    243.200   32.986    42.094  3.0715  42.125  2.9420  -0.3042603E-01 4.253155 
1 1 1 3   -23 33 o 55.414  2.1585  422.010   31.883    409.347   45.607    434.114   44.589    54.561  3.1339  56.267  2.9691  -1.705521      4.317053 
1 1 1 3   -23 34 o 56.127  2.1746  434.078   32.547    428.165   46.640    439.691   45.440    55.722  3.1377  56.533  3.0118  -0.8108215     4.349231 
1 1 1 3   -23 35 f 39.754  2.2857  219.536   24.113    226.581   34.865    213.077   33.384    40.359  3.2529  39.149  3.2121  1.210117       4.571481 
1 1 1 3   -23 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -23 37 o 38.913  2.4523  214.648   25.231    209.289   36.612    219.494   34.820    38.363  3.6053  39.463  3.3252  -1.099720      4.904613 
1 1 1 3   -23 38 o 33.910  2.6455  166.468   23.533    154.147   33.607    178.322   32.963    32.536  3.9365  35.285  3.5354  -2.748909      5.290985 
1 1 1 3   -23 39 o 19.135  4.4051  60.954    24.168    62.448    27.559    55.982    50.289    19.778  5.1511  18.492  7.1473  1.285408       8.810122 
1 1 1 3   -23 40 o 12.015  3.4224  15.544    16.917    15.650    23.426    15.429    24.456    11.965  4.7989  12.066  4.8807  -0.1010923     6.844785 
1 1 1 3   -23 41 o 16.541  3.8329  46.356    19.623    48.637    27.244    43.898    28.287    16.939  5.3596  16.144  5.4809  0.7947025      7.665849 
1 1 1 3   -23 42 o 11.923  3.4335  15.376    17.847    26.418    24.586    3.0770    25.948    13.239  5.0271  10.607  4.6780  2.632331       6.866951 
1 1 1 3   -23 43 o 15.114  3.7886  39.814    19.838    50.117    26.957    27.643    29.299    16.746  5.3347  13.482  5.3810  3.264092       7.577267 
1 1 1 3   -23 44 o 8.5239  2.8109  -19.1972  16.902    3.0851    22.616    -47.3833  25.437    9.9037  4.3676  7.1442  3.5395  2.759440       5.621754 
1 1 1 3   -23 45 o 14.551  4.0121  39.201    22.478    36.464    30.347    42.527    33.457    14.194  5.5338  14.907  5.8107  -0.7125978     8.024144 
1 1 1 3   -23 46 o 11.296  3.4541  4.0235    20.545    -22.9852  27.333    39.105    31.151    8.4722  4.0783  14.120  5.5759  -5.647902      6.908187 
1 1 1 3   -23 47 o 15.453  3.9435  51.559    22.816    79.146    32.702    25.394    31.848    18.752  5.8633  12.155  5.2751  6.596740       7.886981 
1 1 1 3   -22 0  o 89.037  2.2891  1065.92   54.556    1030.38   77.528    1100.79   76.786    87.559  3.3057  90.514  3.1672  -2.955269      4.578101 
1 1 1 3   -22 1  o 155.160 3.1994  3243.73   132.961   3277.98   188.838   3210.06   187.242   155.973 4.5201  154.347 4.5291  1.626068       6.398793 
1 1 1 3   -22 2  o 88.346  2.2167  1047.97   52.448    1069.28   74.706    1027.26   73.652    89.232  3.1257  87.460  3.1440  1.772476       4.433346 
1 1 1 3   -22 3  o 197.106 3.8956  5244.99   205.650   5337.08   291.702   5153.98   289.971   198.835 5.4772  195.376 5.5411  3.458740       7.791208 
1 1 1 3   -22 4  o 151.936 3.1468  3107.20   128.059   3125.64   181.781   3089.03   180.433   152.383 4.4537  151.490 4.4468  0.8937836      6.293594 
1 1 1 3   -22 5  f 228.678 4.3883  7070.55   268.782   7122.45   380.928   7019.09   379.308   229.517 6.1964  227.839 6.2155  1.678162       8.776545 
1 1 1 3   -22 6  o 128.976 2.8039  2236.27   96.859    2261.26   137.473   2211.64   136.491   129.693 3.9574  128.260 3.9730  1.432770       5.607713 
1 1 1 3   -22 7  o 88.864  2.2264  1060.46   52.969    1023.69   74.945    1097.16   74.874    87.320  3.2043  90.407  3.0920  -3.086861      4.452889 
1 1 1 3   -22 8  o 32.661  2.0283  144.605   17.505    155.801   24.609    133.137   24.906    33.969  2.7278  31.353  3.0025  2.615602       4.056575 
1 1 1 3   -22 9  f 104.388 2.4043  1463.80   67.201    1508.11   94.990    1419.40   95.083    105.974 3.3465  102.801 3.4532  3.173264       4.808663 
1 1 1 3   -22 10 o 83.686  2.1422  939.802   47.994    899.230   67.344    981.675   68.416    81.848  3.0719  85.523  2.9867  -3.675133      4.284469 
1 1 1 3   -22 11 o 62.013  1.9228  515.741   31.931    504.609   44.604    527.443   45.733    61.327  2.7154  62.699  2.7232  -1.371826      3.845645 
1 1 1 3   -22 12 f 251.307 4.8057  8555.98   323.474   8494.10   457.148   8618.03   457.776   250.389 6.8164  252.226 6.7760  -1.837158      9.611307 
1 1 1 3   -22 13 o 101.720 2.3425  1390.00   63.804    1413.93   89.714    1365.51   90.761    102.610 3.2642  100.830 3.3606  1.780373       4.684962 
1 1 1 3   -22 14 o 37.601  1.9342  191.137   19.301    200.004   26.860    181.670   27.754    38.521  2.6188  36.682  2.8471  1.839428       3.868372 
1 1 1 3   -22 15 o 142.092 2.9505  2717.03   112.287   2741.83   158.448   2692.00   159.149   142.748 4.1441  141.436 4.2010  1.312149       5.901003 
1 1 1 3   -22 16 o 110.370 2.4760  1637.93   73.156    1692.53   103.151   1582.67   103.769   112.229 3.4315  108.511 3.5703  3.718552       4.951960 
1 1 1 3   -22 17 o 37.505  1.9319  189.536   19.258    180.143   26.708    199.711   27.796    36.531  2.7497  38.478  2.7143  -1.947205      3.863712 
1 1 1 3   -22 18 o 91.296  2.2423  1119.76   54.827    1099.71   77.175    1140.18   77.904    90.470  3.1848  92.122  3.1573  -1.652046      4.484580 
1 1 1 3   -22 19 o 106.399 2.4019  1522.36   68.440    1548.39   96.660    1496.19   96.919    107.315 3.3628  105.482 3.4304  1.832680       4.803720 
1 1 1 3   -22 20 o 90.530  2.2282  1101.86   54.021    1079.55   76.394    1124.17   76.400    89.610  3.1828  91.450  3.1190  -1.839806      4.456317 
1 1 1 3   -22 21 o 116.436 2.5884  1826.10   80.701    1882.97   114.398   1769.77   113.861   118.249 3.6118  114.623 3.7086  3.626831       5.176818 
1 1 1 3   -22 22 o 42.350  1.9231  242.311   21.671    233.268   31.016    250.938   30.293    41.564  2.8023  43.136  2.6345  -1.571846      3.846234 
1 1 1 3   -22 23 o 50.545  1.9609  344.364   26.437    355.097   37.907    334.199   36.890    51.315  2.7682  49.776  2.7781  1.538643       3.921784 
1 1 1 3   -22 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -22 25 o 59.884  2.0069  482.949   32.139    482.630   46.786    483.233   44.225    59.856  2.9182  59.913  2.7559  -0.5625534E-01 4.013859 
1 1 1 3   -22 26 o 83.361  2.2112  937.947   49.344    936.035   70.932    939.741   68.688    83.268  3.1803  83.455  3.0728  -0.1867981     4.422332 
1 1 1 3   -22 27 o 46.316  1.9655  289.399   24.222    315.582   35.343    266.210   33.261    48.298  2.7433  44.334  2.8156  3.964176       3.931032 
1 1 1 3   -22 28 o 73.607  2.1232  732.758   41.846    731.229   59.919    734.214   58.467    73.522  3.0427  73.691  2.9621  -0.1691055     4.246415 
1 1 1 3   -22 29 o 18.250  2.9843  47.381    14.297    47.213    20.370    47.544    20.071    18.214  4.2527  18.286  4.1879  -0.7245064E-01 5.968595 
1 1 1 3   -22 30 o 23.147  2.7148  76.375    15.997    62.058    23.221    89.307    22.068    20.883  4.2948  25.411  3.3218  -4.528646      5.429524 
1 1 1 3   -22 31 o 28.035  2.4923  112.147   17.569    82.549    25.437    139.152   24.297    24.184  4.0714  31.886  2.8758  -7.701269      4.984646 
1 1 1 3   -22 32 o 16.599  3.2765  39.458    15.143    43.401    21.861    35.820    20.995    17.340  4.6226  15.857  4.6447  1.483069       6.552974 
1 1 1 3   -22 33 o 39.082  2.2151  210.555   22.658    255.427   32.713    169.178   31.413    43.208  2.8425  34.956  3.3980  8.251637       4.430119 
1 1 1 3   -22 34 o 16.126  3.3100  37.628    15.233    42.355    21.118    32.500    21.995    17.059  4.5413  15.193  4.8166  1.866211       6.619909 
1 1 1 3   -22 35 o 49.026  2.2189  331.499   28.969    342.255   41.804    321.562   40.180    49.787  3.1511  48.265  3.1248  1.522030       4.437757 
1 1 1 3   -22 36 o 9.5285  2.9177  -1.4704   13.732    -5.7655   18.609    3.6640    20.346    8.7685  3.9091  10.288  4.3326  -1.519837      5.835418 
1 1 1 3   -22 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -22 38 f 30.990  2.7382  138.661   22.205    137.456   32.089    139.768   30.757    30.796  3.9836  31.184  3.7580  -0.3882885     5.476494 
1 1 1 3   -22 39 o 21.479  3.4720  71.344    19.630    59.018    27.148    84.851    28.418    19.367  5.1458  23.591  4.6626  -4.223909      6.944017 
1 1 1 3   -22 40 o 41.833  2.5530  254.993   28.139    227.168   39.977    282.317   39.615    39.337  3.8434  44.329  3.3614  -4.992443      5.105949 
1 1 1 3   -22 41 o 38.242  2.6995  218.554   27.064    196.951   38.892    238.838   37.686    36.108  4.0936  40.375  3.5201  -4.266281      5.398942 
1 1 1 3   -22 42 o 9.0622  2.9225  -7.2299   15.708    -7.2259   22.074    -7.2341   22.359    9.0338  4.1199  9.0907  4.1461  -0.5692196E-01 5.844949 
1 1 1 3   -22 43 o 19.787  3.7528  68.437    20.384    77.061    29.379    60.432    28.305    21.106  5.2248  18.469  5.3883  2.637177       7.505526 
1 1 1 3   -22 44 o 19.797  3.9067  71.719    21.531    68.691    30.859    74.591    30.055    19.255  5.6286  20.339  5.4192  -1.083361      7.813387 
1 1 1 3   -22 45 o 12.135  3.4775  16.245    18.984    36.794    26.760    -4.5736   26.936    14.415  5.2899  9.8544  4.5156  4.560493       6.955090 
1 1 1 3   -22 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -22 47 o 20.536  4.3036  93.083    25.570    82.012    35.773    104.649   36.563    18.970  6.1562  22.101  6.0154  -3.130993      8.607205 
1 1 1 3   -21 0  f 47.220  1.9080  300.645   23.981    281.466   34.128    319.350   33.704    45.716  2.8006  48.724  2.5919  -3.008301      3.815917 
1 1 1 3   -21 1  o 106.111 2.4415  1511.77   69.371    1564.33   98.786    1460.64   97.439    107.933 3.4171  104.289 3.4882  3.644302       4.883029 
1 1 1 3   -21 2  o 82.360  2.1400  910.028   47.183    952.744   67.319    868.782   66.151    84.262  2.9828  80.459  3.0695  3.803169       4.280060 
1 1 1 3   -21 3  o 67.442  1.9981  610.175   36.093    615.244   51.194    605.164   50.895    67.721  2.8223  67.163  2.8291  0.5573349      3.996173 
1 1 1 3   -21 4  o 186.010 3.6974  4660.52   184.196   4747.27   261.257   4574.77   259.734   187.738 5.1955  184.282 5.2621  3.455887       7.394756 
1 1 1 3   -21 5  o 30.007  2.0371  121.807   16.163    118.962   22.414    124.889   23.329    29.642  2.8586  30.373  2.9030  -0.7308006     4.074200 
1 1 1 3   -21 6  o 223.980 4.3589  6772.09   261.494   6847.43   370.395   6697.23   369.225   225.229 6.1398  222.731 6.1890  2.497879       8.717836 
1 1 1 3   -21 7  o 103.432 2.3988  1436.19   66.457    1443.64   94.138    1428.78   93.832    103.700 3.3892  103.164 3.3958  0.5358810      4.797697 
1 1 1 3   -21 8  o 38.203  1.9527  197.887   19.724    216.763   27.470    177.802   28.337    40.121  2.5697  36.285  2.9409  3.836346       3.905471 
1 1 1 3   -21 9  o 119.895 2.6065  1930.68   83.704    1917.94   118.231   1943.48   118.519   119.497 3.6939  120.292 3.6784  -0.7942810     5.213043 
1 1 1 3   -21 10 o 129.822 2.7796  2265.13   96.586    2159.64   136.124   2372.09   137.069   126.768 4.0090  132.875 3.8513  -6.106743      5.559155 
1 1 1 3   -21 11 o 66.193  1.9545  587.191   34.628    557.013   48.207    619.362   49.773    64.437  2.7931  67.950  2.7348  -3.513130      3.909026 
1 1 1 3   -21 12 o 295.333 5.5942  11843.13  442.528   11815.77  625.493   11870.55  626.167   294.989 7.9164  295.677 7.9065  -0.6880798     11.18846 
1 1 1 3   -21 13 o 208.144 3.9996  5844.03   222.974   5785.96   314.931   5902.39   315.737   207.102 5.6773  209.186 5.6351  -2.084595      7.999146 
1 1 1 3   -21 14 o 114.463 2.5102  1759.57   76.939    1705.24   108.226   1815.09   109.399   112.673 3.5861  116.252 3.5134  -3.579155      5.020337 
1 1 1 3   -21 15 o 38.077  1.9136  195.418   19.368    183.659   27.109    207.679   27.682    36.896  2.7632  39.258  2.6481  -2.362190      3.827239 
1 1 1 3   -21 16 o 64.473  1.9328  558.596   33.314    594.448   46.914    522.131   47.314    66.567  2.6312  62.378  2.8318  4.188744       3.865537 
1 1 1 3   -21 17 o 147.499 3.0639  2927.91   121.030   2975.35   170.952   2880.22   171.372   148.704 4.2920  146.294 4.3735  2.409683       6.127711 
1 1 1 3   -21 18 o 134.551 2.8141  2434.86   101.416   2442.18   143.317   2427.53   143.532   134.755 3.9707  134.348 3.9887  0.4072113      5.628147 
1 1 1 3   -21 19 o 174.582 3.4794  4109.99   162.696   4145.41   230.151   4074.62   230.023   175.338 4.9006  173.825 4.9405  1.513168       6.958739 
1 1 1 3   -21 20 o 219.695 4.2600  6535.59   250.676   6564.67   354.825   6506.61   354.195   220.186 6.0164  219.204 6.0326  0.9822845      8.519942 
1 1 1 3   -21 21 o 83.902  2.1431  945.339   48.152    972.858   68.733    918.815   67.478    85.102  3.0154  82.702  3.0462  2.400055       4.286232 
1 1 1 3   -21 22 f 152.775 3.1506  3148.74   128.921   3152.66   182.849   3144.88   181.800   152.867 4.4657  152.683 4.4454  0.1837769      6.301144 
1 1 1 3   -21 23 o 54.428  1.9568  399.296   28.416    380.359   40.760    417.203   39.636    53.124  2.8752  55.732  2.6552  -2.608192      3.913671 
1 1 1 3   -21 24 o 82.414  2.1689  914.690   47.823    885.675   68.556    942.193   66.746    81.129  3.1549  83.699  2.9772  -2.570267      4.337877 
1 1 1 3   -21 25 o 106.231 2.9516  1516.37   80.779    1491.78   100.874   1560.31   134.871   105.172 3.5809  107.291 4.6932  -2.119484      5.903268 
1 1 1 3   -21 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -21 27 o 77.374  2.1500  807.725   44.520    795.333   64.008    819.338   61.964    76.786  3.1122  77.962  2.9673  -1.175529      4.300078 
1 1 1 3   -21 28 o 10.572  2.9951  7.1767    12.993    2.9112    18.732    11.132    18.037    10.033  4.1866  11.111  4.2843  -1.077280      5.990227 
1 1 1 3   -21 29 o 35.450  2.1969  172.154   20.523    159.166   29.851    183.796   28.262    34.125  3.3073  36.774  2.8926  -2.649132      4.393768 
1 1 1 3   -21 30 o 90.906  2.3756  1122.85   57.813    1093.91   82.306    1151.04   81.224    89.724  3.4248  92.087  3.2930  -2.363434      4.751111 
1 1 1 3   -21 31 o 55.121  2.0855  413.071   30.669    419.498   44.047    407.024   42.728    55.532  2.9721  54.711  2.9264  0.8211861      4.170987 
1 1 1 3   -21 32 o 31.166  2.3316  134.004   19.000    155.172   27.316    114.165   26.445    33.637  3.0655  28.695  3.5140  4.941784       4.663209 
1 1 1 3   -21 33 o 10.576  2.8847  7.9573    12.280    -3.3253   17.338    19.313    17.394    8.7948  3.8529  12.357  4.2943  -3.562028      5.769383 
1 1 1 3   -21 34 o 22.485  2.8554  72.380    16.490    83.252    23.318    61.505    23.322    24.321  3.6958  20.650  4.3537  3.670996       5.710822 
1 1 1 3   -21 35 o 35.422  2.3380  174.034   21.910    170.569   31.343    177.345   30.639    35.048  3.3807  35.797  3.2303  -0.7490616     4.675947 
1 1 1 3   -21 36 o 23.104  2.9986  77.478    17.821    85.298    24.908    69.278    25.507    24.439  3.9391  21.769  4.5223  2.669521       5.997259 
1 1 1 3   -21 37 o 46.604  2.3327  302.618   28.923    310.877   40.985    294.424   40.822    47.263  3.2574  45.946  3.3399  1.317360       4.665382 
1 1 1 3   -21 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -21 39 o 11.105  3.0364  5.7579    14.646    28.064    20.920    -15.6832  20.510    13.985  4.7136  8.2250  3.8289  5.759786       6.072791 
1 1 1 3   -21 40 o 23.749  3.3280  87.306    20.391    64.715    28.528    110.907   29.158    20.164  5.2357  27.334  4.1098  -7.170774      6.656039 
1 1 1 3   -21 41 o 14.377  3.3822  25.827    17.606    -0.6116   24.275    55.167    25.573    10.256  4.5238  18.498  5.0291  -8.242569      6.764347 
1 1 1 3   -21 42 o 17.195  3.7089  49.549    18.730    54.688    26.367    44.314    26.613    18.084  5.1789  16.306  5.3107  1.778631       7.417850 
1 1 1 3   -21 43 o 11.803  3.4009  16.079    16.948    18.018    23.119    13.826    24.918    11.969  4.7791  11.637  4.8399  0.3319445      6.801806 
1 1 1 3   -21 44 o 15.664  3.8770  43.675    20.191    47.766    27.569    38.942    29.653    16.350  5.4092  14.977  5.5556  1.372321       7.754004 
1 1 1 3   -21 45 o 25.088  3.7858  111.627   24.784    88.210    34.233    137.419   35.927    21.668  5.7885  28.507  4.8808  -6.838995      7.571588 
1 1 1 3   -21 46 o 10.277  4.5881  3.4213    25.734    3.4213    25.734    0.0000    0.0000    10.277  4.5881  ?       ?       ?              ?        
1 1 1 3   -21 47 o 7.3836  2.4391  -9.2270   11.872    -45.3143  25.595    0.6650    13.400    7.1072  3.5262  7.6600  3.3707  -0.5528255     4.878138 
1 1 1 3   -21 48 o 10.017  3.0501  11.605    13.338    10.110    27.957    12.046    15.176    10.534  4.7365  9.5002  3.8441  1.033840       6.100177 
1 1 1 3   -20 0  o 154.988 3.2188  3231.23   133.502   3408.70   189.647   3056.89   187.965   159.222 4.4469  150.753 4.6550  8.469040       6.437697 
1 1 1 3   -20 1  o 184.344 3.6714  4575.22   181.258   4671.32   257.163   4480.35   255.520   186.274 5.1543  182.413 5.2297  3.861496       7.342784 
1 1 1 3   -20 2  o 107.592 2.4785  1554.15   71.419    1545.28   101.535   1562.83   100.476   107.286 3.5333  107.898 3.4767  -0.6118774     4.956956 
1 1 1 3   -20 3  o 134.435 2.8790  2428.22   103.665   2430.40   147.191   2426.08   146.025   134.493 4.0859  134.377 4.0571  0.1164856      5.758013 
1 1 1 3   -20 4  o 247.983 4.7717  8310.02   316.914   8187.37   448.773   8432.03   447.597   246.138 6.8070  249.827 6.6890  -3.689255      9.543482 
1 1 1 3   -20 5  o 253.055 4.8780  8656.32   330.615   8768.74   468.249   8544.57   466.873   254.705 6.8636  251.405 6.9332  3.300262       9.755943 
1 1 1 3   -20 6  o 70.481  1.9955  666.329   37.671    660.105   53.214    672.581   53.335    70.151  2.8321  70.812  2.8120  -0.6606064     3.991001 
1 1 1 3   -20 7  o 170.436 3.3937  3908.19   154.905   3991.59   219.414   3825.32   218.725   172.256 4.7556  168.616 4.8430  3.639847       6.787469 
1 1 1 3   -20 8  o 153.669 3.1268  3174.81   128.698   3175.57   181.996   3174.05   182.018   153.687 4.4211  153.650 4.4228  0.3701782E-01  6.253590 
1 1 1 3   -20 9  o 285.449 5.4333  11043.60  415.302   11343.38  587.532   10744.25  587.120   289.366 7.5805  281.532 7.7859  7.833710       10.86666 
1 1 1 3   -20 10 o 79.669  2.0509  851.220   43.740    812.653   61.299    891.225   62.432    77.829  2.9405  81.509  2.8596  -3.679565      4.101737 
1 1 1 3   -20 11 o 135.623 2.8479  2471.49   103.445   2425.25   145.805   2518.35   146.787   134.343 4.0520  136.903 4.0030  -2.559967      5.695837 
1 1 1 3   -20 12 o 198.292 3.8427  5298.40   204.090   5266.14   288.240   5330.84   289.015   197.684 5.4437  198.899 5.4250  -1.214859      7.685327 
1 1 1 3   -20 13 o 130.379 2.7225  2283.73   95.073    2281.23   134.084   2286.26   134.826   130.308 3.8416  130.450 3.8587  -0.1418610     5.444957 
1 1 1 3   -20 14 o 160.748 3.2228  3477.69   138.684   3603.16   195.883   3351.60   196.376   163.670 4.4683  157.826 4.6454  5.844391       6.445527 
1 1 1 3   -20 15 o 96.494  2.2517  1249.78   58.194    1247.35   81.961    1252.26   82.642    96.400  3.1742  96.589  3.1944  -0.1881790     4.503305 
1 1 1 3   -20 16 o 68.294  1.9394  625.472   35.460    598.946   49.666    653.053   50.644    66.817  2.7751  69.772  2.7099  -2.955566      3.878772 
1 1 1 3   -20 17 o 50.420  1.9209  348.444   25.007    449.995   35.498    248.391   35.235    57.931  2.2877  42.909  3.0864  15.02227       3.841793 
1 1 1 3   -20 18 o 53.848  1.8599  389.529   26.767    375.327   37.769    403.861   37.941    52.826  2.6781  54.871  2.5815  -2.044708      3.719724 
1 1 1 3   -20 19 o 112.576 2.4950  1702.52   75.232    1713.11   106.646   1692.02   106.144   112.925 3.5259  112.227 3.5311  0.6976700      4.990009 
1 1 1 3   -20 20 o 140.881 2.9375  2670.06   110.842   2709.57   157.232   2631.02   156.280   141.920 4.1363  139.842 4.1723  2.077713       5.875090 
1 1 1 3   -20 21 o 39.412  1.9599  209.740   20.500    206.080   29.978    212.956   28.095    39.076  2.8846  39.749  2.6541  -0.6730728     3.919894 
1 1 1 3   -20 22 o 39.808  1.9863  214.580   20.956    201.242   30.361    226.717   28.962    38.600  2.9591  41.015  2.6504  -2.415615      3.972542 
1 1 1 3   -20 23 o 80.921  2.1386  879.759   46.334    877.266   66.474    882.114   64.617    80.806  3.0713  81.037  2.9770  -0.2307510     4.277300 
1 1 1 3   -20 24 o 122.139 2.7004  2009.56   88.320    1982.07   125.830   2036.26   123.997   121.306 3.8727  122.973 3.7646  -1.666527      5.400891 
1 1 1 3   -20 25 o 154.116 3.1901  3210.98   131.635   3131.44   186.999   3289.11   185.333   152.200 4.5871  156.032 4.4346  -3.832199      6.380160 
1 1 1 3   -20 26 o 78.273  2.1720  825.459   45.480    800.370   65.326    849.055   63.355    77.106  3.1631  79.440  2.9775  -2.333900      4.344009 
1 1 1 3   -20 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -20 28 o 73.236  2.1554  723.003   42.268    727.228   60.595    719.000   58.990    73.439  3.0805  73.033  3.0156  0.4062729      4.310843 
1 1 1 3   -20 29 o 84.961  2.2769  976.209   51.767    942.637   73.881    1008.59   72.555    83.505  3.3032  86.417  3.1346  -2.911728      4.553754 
1 1 1 3   -20 30 o 54.051  2.0956  396.669   30.165    377.752   43.233    414.614   42.109    52.765  3.0723  55.336  2.8507  -2.571281      4.191148 
1 1 1 3   -20 31 o 25.101  2.6384  89.481    16.770    69.973    24.330    107.137   23.147    22.261  4.2351  27.941  3.1477  -5.680016      5.276765 
1 1 1 3   -20 32 o 21.842  2.7584  67.494    15.484    58.557    21.978    76.301    21.818    20.296  4.1820  23.389  3.5981  -3.092930      5.516823 
1 1 1 3   -20 33 o 37.874  2.1890  196.440   22.004    203.540   31.513    189.686   30.737    38.550  3.0776  37.197  3.1136  1.352982       4.377953 
1 1 1 3   -20 34 o 62.525  2.1973  534.089   36.723    553.012   52.501    515.961   51.386    63.658  3.0791  61.392  3.1354  2.265373       4.394513 
1 1 1 3   -20 35 o 45.773  2.2075  288.287   26.854    269.488   37.967    307.107   37.987    44.232  3.2269  47.315  3.0131  -3.082512      4.414953 
1 1 1 3   -20 36 f 35.292  2.3757  172.976   22.174    165.759   31.070    180.467   31.655    34.519  3.4048  36.065  3.3141  -1.545795      4.751378 
1 1 1 3   -20 37 o 14.421  3.2171  28.146    14.900    12.389    21.277    43.308    20.872    11.679  4.6094  17.163  4.4891  -5.484122      6.434137 
1 1 1 3   -20 38 o 9.5591  2.9364  -2.1748   14.285    5.4430    19.302    -11.4011  21.242    10.268  4.2642  8.8503  4.0382  1.417725       5.872894 
1 1 1 3   -20 39 o 10.834  3.2157  -4.3710   16.972    22.315    25.932    -24.3646  22.446    13.586  5.1620  8.0808  3.8364  5.505555       6.431435 
1 1 1 3   -20 40 o 13.487  3.4621  23.469    16.775    34.564    23.310    11.550    24.161    15.189  4.9714  11.785  4.8196  3.404185       6.924114 
1 1 1 3   -20 41 o 16.887  3.4594  44.108    17.976    66.367    25.338    21.551    25.507    20.638  4.6900  13.135  5.0865  7.502952       6.918755 
1 1 1 3   -20 42 o 13.627  3.4896  26.366    17.106    38.030    23.631    13.525    24.795    15.423  5.0034  11.832  4.8656  3.591867       6.979117 
1 1 1 3   -20 43 o 11.110  3.3659  7.4038    17.864    2.0555    24.132    13.887    26.569    10.301  4.5285  11.919  4.9809  -1.617783      6.731748 
1 1 1 3   -20 44 o 11.057  3.3797  7.3854    17.975    3.0439    23.144    13.985    28.534    10.126  4.4434  11.988  5.0937  -1.861906      6.759392 
1 1 1 3   -20 45 o 11.596  3.4342  1.5528    18.957    -21.7227  24.048    39.754    30.809    8.2061  3.9169  14.985  5.6421  -6.778843      6.868490 
1 1 1 3   -20 46 o 9.8174  2.8028  6.9624    13.446    -31.6759  25.645    21.611    15.790    7.8841  3.8323  11.751  4.0910  -3.866588      5.605582 
1 1 1 3   -20 47 o 5.9222  2.8728  -19.5579  14.217    0.0000    0.0000    -19.5579  14.217    ?       ?       5.9222  2.8728  ?              ?        
1 1 1 3   -20 48 o 19.089  3.4178  75.090    18.132    51.656    31.873    86.302    22.047    15.235  5.7382  22.943  3.7146  -7.708516      6.835649 
1 1 1 3   -19 0  o 49.255  1.8596  326.352   24.434    316.436   34.588    336.230   34.522    48.503  2.6727  50.008  2.5862  -1.505093      3.719135 
1 1 1 3   -19 1  o 211.590 4.1281  6034.16   233.942   5982.23   331.520   6085.67   330.173   210.674 5.8750  212.505 5.8007  -1.830521      8.256176 
1 1 1 3   -19 2  o 76.953  2.0632  794.200   42.496    835.810   60.569    753.861   59.637    78.940  2.8646  74.966  2.9700  3.973984       4.126414 
1 1 1 3   -19 3  o 13.572  2.4408  25.678    8.9441    21.756    12.643    29.607    12.655    12.579  3.5806  14.565  3.3180  -1.985411      4.881572 
1 1 1 3   -19 4  o 170.880 3.4531  3927.51   158.047   3940.47   224.072   3914.68   222.956   171.160 4.8876  170.600 4.8792  0.5597229      6.906181 
1 1 1 3   -19 5  o 170.144 3.4213  3893.38   155.918   3912.83   220.882   3874.06   220.122   170.568 4.8347  169.720 4.8422  0.8482361      6.842619 
1 1 1 3   -19 6  o 178.865 3.5433  4304.09   169.754   4284.45   240.316   4323.65   239.822   178.455 5.0276  179.275 4.9944  -0.8198700     7.086671 
1 1 1 3   -19 7  o 34.559  1.7746  160.839   16.293    149.833   22.707    172.518   23.392    33.330  2.5631  35.788  2.4551  -2.457336      3.549256 
1 1 1 3   -19 8  o 97.437  2.2532  1273.94   58.798    1291.80   83.027    1255.97   83.280    98.124  3.1590  96.750  3.2136  1.373428       4.506333 
1 1 1 3   -19 9  o 161.233 3.2231  3494.76   139.192   3473.50   196.595   3516.12   197.100   160.740 4.5662  161.726 4.5501  -0.9854126     6.446224 
1 1 1 3   -19 10 o 188.699 3.6896  4792.80   186.480   4789.72   263.398   4795.90   264.049   188.639 5.2131  188.759 5.2226  -0.1199341     7.379150 
1 1 1 3   -19 11 o 263.672 5.0043  9399.04   353.415   9311.94   499.383   9486.45   500.226   262.439 7.1042  264.906 7.0499  -2.466827      10.00858 
1 1 1 3   -19 12 o 139.319 2.8678  2607.72   106.997   2540.65   150.852   2675.61   151.785   137.512 4.0956  141.126 4.0154  -3.614044      5.735665 
1 1 1 3   -19 13 o 80.765  2.0329  874.941   43.974    868.890   61.787    881.152   62.598    80.482  2.8662  81.047  2.8836  -0.5651016     4.065730 
1 1 1 3   -19 14 o 91.104  2.1622  1113.59   52.760    1100.23   74.268    1127.21   74.966    90.552  3.0620  91.656  3.0536  -1.104126      4.324431 
1 1 1 3   -19 15 o 202.494 3.9625  5527.68   214.902   5591.74   303.730   5463.47   304.104   203.677 5.5675  201.311 5.6398  2.366501       7.924921 
1 1 1 3   -19 16 o 71.221  1.9042  680.568   36.315    697.572   51.244    663.413   51.470    72.117  2.6529  70.326  2.7325  1.791145       3.808423 
1 1 1 3   -19 17 o 114.965 2.5162  1775.07   77.481    1791.15   109.613   1759.01   109.537   115.487 3.5436  114.444 3.5734  1.043465       5.032484 
1 1 1 3   -19 18 o 82.150  2.0742  905.565   45.638    906.954   64.751    904.193   64.335    82.212  2.9405  82.088  2.9261  0.1244354      4.148304 
1 1 1 3   -19 19 o 44.277  1.8887  264.393   22.254    251.062   31.828    277.144   31.127    43.170  2.7672  45.383  2.5713  -2.212666      3.777370 
1 1 1 3   -19 20 o 38.346  1.9427  197.540   19.750    221.917   28.837    176.005   27.104    40.584  2.6676  36.107  2.8251  4.477135       3.885497 
1 1 1 3   -19 21 o 137.023 2.9089  2525.17   106.756   2530.27   151.778   2520.17   150.187   137.157 4.1314  136.888 4.0962  0.2690430      5.817830 
1 1 1 3   -19 22 o 158.710 3.2534  3392.60   138.295   3390.04   196.502   3395.12   194.669   158.646 4.6243  158.774 4.5775  -0.1278839     6.506773 
1 1 1 3   -19 23 o 42.729  1.9842  245.519   22.536    255.129   33.169    237.279   30.714    43.501  2.8627  41.957  2.7483  1.544548       3.968336 
1 1 1 3   -19 24 o 15.678  2.8514  33.212    14.011    4.5745    20.332    59.109    19.335    10.690  4.4022  20.666  3.6252  -9.975658      5.702771 
1 1 1 3   -19 25 f 144.002 3.0605  2796.23   118.037   2789.17   167.871   2803.14   166.003   143.816 4.3579  144.189 4.2983  -0.3733368     6.121009 
1 1 1 3   -19 26 o 89.477  2.2884  1077.02   54.831    1076.35   78.417    1077.67   76.697    89.445  3.2731  89.509  3.1991  -0.6383514E-01 4.576830 
1 1 1 3   -19 27 o 147.357 3.1449  2937.09   124.126   2943.88   176.215   2930.40   174.874   147.522 4.4596  147.192 4.4356  0.3301849      6.289894 
1 1 1 3   -19 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -19 29 o 55.212  2.5128  410.224   35.085    424.400   60.299    402.968   43.140    55.821  4.0608  54.603  2.9608  1.217854       5.025541 
1 1 1 3   -19 30 o 25.630  2.4968  90.105    16.642    98.110    24.538    83.288    22.646    26.700  3.5167  24.559  3.5452  2.140709       4.993564 
1 1 1 3   -19 31 o 28.443  2.3750  111.034   17.739    114.393   25.476    107.873   24.713    28.866  3.3578  28.020  3.3599  0.8458977      4.750096 
1 1 1 3   -19 32 o 6.2371  2.0628  -23.7051  9.6376    -1.4894   13.240    -48.7432  14.056    7.8915  3.4129  4.5827  2.3178  3.308746       4.125598 
1 1 1 3   -19 33 o 13.185  3.0598  22.457    12.953    12.920    18.612    31.415    18.039    11.448  4.3674  14.923  4.2866  -3.474945      6.119585 
1 1 1 3   -19 34 f 34.005  2.2630  159.238   20.340    152.140   28.991    166.121   28.545    33.223  3.3016  34.787  3.0959  -1.564026      4.526053 
1 1 1 3   -19 35 o 14.954  3.2636  31.276    14.627    38.433    20.376    23.665    21.010    16.337  4.5089  13.572  4.7194  2.764359       6.527100 
1 1 1 3   -19 36 o 35.753  2.3888  177.488   22.502    159.129   31.651    196.252   31.998    33.803  3.5488  37.702  3.1988  -3.899395      4.777625 
1 1 1 3   -19 37 o 37.055  2.3968  191.019   23.516    184.376   33.071    197.813   33.446    36.381  3.4344  37.730  3.3442  -1.349140      4.793628 
1 1 1 3   -19 38 o 10.624  3.0138  3.1346    14.526    21.113    20.097    -16.5323  21.020    12.872  4.6034  8.3751  3.8912  4.496942       6.027664 
1 1 1 3   -19 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -19 40 o 22.514  3.1740  77.978    18.931    35.285    26.176    124.797   27.411    15.495  5.2723  29.532  3.5356  -14.03713      6.348054 
1 1 1 3   -19 41 o 23.166  3.3766  83.276    20.249    93.589    28.298    72.454    28.987    24.902  4.4037  21.431  5.1199  3.470726       6.753168 
1 1 1 3   -19 42 o 12.818  3.4683  19.204    17.058    8.0573    23.092    32.592    25.307    10.989  4.6210  14.646  5.1733  -3.657349      6.936647 
1 1 1 3   -19 43 o 22.397  3.6479  83.586    21.495    92.502    29.853    73.988    30.975    23.965  4.8177  20.828  5.4788  3.137680       7.295757 
1 1 1 3   -19 44 o 19.315  3.1733  66.424    16.069    41.861    27.789    78.764    19.696    15.620  5.4278  23.011  3.2893  -7.390623      6.346682 
1 1 1 3   -19 45 o 17.671  3.3385  55.562    16.107    42.220    28.567    61.780    19.502    15.443  5.4920  19.899  3.7975  -4.455850      6.677092 
1 1 1 3   -19 46 o 11.334  3.1324  17.757    13.032    11.809    25.948    19.764    15.070    11.275  4.8257  11.392  3.9949  -0.1168385     6.264708 
1 1 1 3   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -19 48 o 10.709  3.2220  14.033    15.402    9.1726    29.232    15.900    18.122    10.853  4.8644  10.564  4.2266  0.2889299      6.444055 
1 1 1 3   -18 0  o 140.371 2.9625  2646.93   111.340   2745.47   158.145   2550.07   156.781   142.968 4.1298  137.775 4.2485  5.193451       5.924925 
1 1 1 3   -18 1  o 63.975  1.9279  548.730   33.033    558.838   47.037    538.895   46.400    64.557  2.7203  63.394  2.7326  1.162724       3.855790 
1 1 1 3   -18 2  o 71.709  1.9983  689.913   38.363    671.619   54.588    707.764   53.924    70.767  2.8799  72.650  2.7711  -1.883064      3.996605 
1 1 1 3   -18 3  o 105.273 2.4256  1487.23   68.388    1471.43   97.120    1502.78   96.316    104.717 3.4626  105.830 3.3978  -1.113274      4.851265 
1 1 1 3   -18 4  o 198.856 3.9302  5322.16   209.333   5333.89   296.543   5310.50   295.543   199.074 5.5614  198.638 5.5548  0.4357758      7.860341 
1 1 1 3   -18 5  o 85.730  2.1347  985.826   49.012    970.067   69.402    1001.50   69.225    85.045  3.0467  86.415  2.9908  -1.369377      4.269345 
1 1 1 3   -18 6  o 22.214  1.9694  67.362    11.350    57.090    15.850    78.173    16.259    20.418  2.9865  24.011  2.5680  -3.593487      3.938771 
1 1 1 3   -18 7  o 231.057 4.3701  7193.48   270.427   7324.47   382.621   7062.74   382.262   233.171 6.1264  228.943 6.2337  4.227768       8.740215 
1 1 1 3   -18 8  o 130.973 2.7352  2302.77   95.953    2295.43   135.509   2310.16   135.888   130.764 3.8689  131.183 3.8674  -0.4191284     5.470391 
1 1 1 3   -18 9  o 134.698 2.8062  2436.04   101.241   2446.46   142.912   2425.54   143.443   134.988 3.9526  134.407 3.9844  0.5811005      5.612394 
1 1 1 3   -18 10 o 61.507  1.7899  508.024   29.432    539.509   41.403    475.861   41.847    63.439  2.4366  59.575  2.6225  3.864098       3.579717 
1 1 1 3   -18 11 o 150.827 3.0386  3056.02   122.757   3060.34   173.286   3051.67   173.924   150.936 4.2863  150.719 4.3082  0.2162170      6.077297 
1 1 1 3   -18 12 o 251.643 4.8052  8547.90   323.869   8620.58   457.816   8475.09   458.223   252.723 6.7633  250.562 6.8277  2.160294       9.610358 
1 1 1 3   -18 13 o 69.261  1.8724  643.489   34.670    593.348   48.669    695.148   49.400    66.518  2.7317  72.004  2.5614  -5.486183      3.744710 
1 1 1 3   -18 14 o 27.394  1.8418  101.607   13.333    107.273   18.862    95.949    18.849    28.173  2.5264  26.615  2.6806  1.557940       3.683508 
1 1 1 3   -18 15 o 134.041 2.8051  2414.30   100.655   2505.25   142.331   2323.31   142.364   136.575 3.8908  131.507 4.0417  5.067703       5.610134 
1 1 1 3   -18 16 o 154.947 3.1216  3227.79   129.550   3258.25   183.305   3197.40   183.118   155.680 4.3960  154.214 4.4332  1.465546       6.243217 
1 1 1 3   -18 17 o 123.732 2.6048  2056.03   86.326    2071.80   122.319   2040.37   121.849   124.205 3.6768  123.258 3.6908  0.9470673      5.209634 
1 1 1 3   -18 18 o 104.408 2.3953  1463.54   66.982    1461.67   95.224    1465.37   94.236    104.340 3.4073  104.476 3.3675  -0.1351929     4.790595 
1 1 1 3   -18 19 o 201.703 3.9468  5486.44   213.219   5564.96   302.278   5408.68   300.803   203.146 5.5553  200.260 5.6079  2.885864       7.893641 
1 1 1 3   -18 20 o 90.637  2.2248  1102.36   53.999    1119.05   77.392    1086.53   75.380    91.305  3.1645  89.970  3.1280  1.334198       4.449585 
1 1 1 3   -18 21 o 114.681 2.5608  1766.94   78.647    1763.25   112.254   1770.49   110.221   114.560 3.6583  114.802 3.5845  -0.2421875     5.121671 
1 1 1 3   -18 22 o 65.646  2.0078  578.637   35.243    572.058   51.200    584.561   48.585    65.287  2.9279  66.005  2.7481  -0.7179794     4.015554 
1 1 1 3   -18 23 o 120.445 2.6648  1949.74   85.957    1969.31   122.747   1930.91   120.409   121.035 3.7863  119.854 3.7508  1.181595       5.329533 
1 1 1 3   -18 24 o 73.469  2.0876  724.597   41.055    726.869   59.182    722.489   57.000    73.577  3.0030  73.361  2.9008  0.2157364      4.175239 
1 1 1 3   -18 25 o 190.292 3.8407  4895.49   195.721   4801.49   277.491   4988.55   276.096   188.453 5.4974  192.132 5.3650  -3.679016      7.681471 
1 1 1 3   -18 26 o 35.191  2.2159  169.737   20.392    147.797   29.835    188.971   27.936    32.975  3.4281  37.406  2.8087  -4.431129      4.431768 
1 1 1 3   -18 27 o 101.300 2.4426  1381.51   66.263    1363.60   94.252    1399.01   93.178    100.645 3.4963  101.956 3.4120  -1.310623      4.885281 
1 1 1 3   -18 28 o 6.4174  2.1925  -25.9203  11.410    -26.6675  15.892    -25.1255  16.391    6.2866  3.0467  6.5482  3.1536  -0.2615633     4.384912 
1 1 1 3   -18 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -18 30 o 68.116  2.1390  625.913   39.004    610.229   55.571    641.143   54.759    67.265  3.0844  68.966  2.9643  -1.701172      4.277932 
1 1 1 3   -18 31 o 41.982  2.0952  239.587   23.353    227.692   33.576    250.733   32.502    40.943  3.0844  43.020  2.8366  -2.077221      4.190382 
1 1 1 3   -18 32 o 29.371  2.3627  118.658   18.208    111.184   25.957    125.898   25.547    28.417  3.4832  30.325  3.1932  -1.908865      4.725378 
1 1 1 3   -18 33 o 76.838  2.2550  801.891   46.401    814.288   65.358    789.292   65.887    77.449  3.1506  76.226  3.2271  1.223175       4.510035 
1 1 1 3   -18 34 o 25.234  2.6276  88.975    17.218    90.228    24.068    87.662    24.642    25.441  3.6352  25.027  3.7950  0.4139881      5.255208 
1 1 1 3   -18 35 o 14.332  3.2597  28.080    14.346    32.985    19.887    22.759    20.713    15.262  4.5340  13.401  4.6844  1.861020       6.519310 
1 1 1 3   -18 36 o 18.002  2.9736  48.489    15.565    77.581    21.360    15.554    22.727    23.520  3.4969  12.484  4.8105  11.03617       5.947233 
1 1 1 3   -18 37 o 52.448  2.2444  379.186   31.359    386.192   43.823    371.832   44.894    52.979  3.1017  51.917  3.2447  1.062592       4.488775 
1 1 1 3   -18 38 f 34.664  2.5352  168.802   23.116    172.604   31.688    164.476   33.796    35.160  3.4075  34.168  3.7548  0.9924583      5.070424 
1 1 1 3   -18 39 o 40.006  2.5139  226.309   26.491    241.204   36.494    209.717   38.517    41.542  3.3071  38.470  3.7871  3.072277       5.027840 
1 1 1 3   -18 40 o 19.407  3.4121  55.756    18.822    28.668    25.577    87.754    27.799    14.485  5.1918  24.330  4.4290  -9.844519      6.824283 
1 1 1 3   -18 41 o 49.063  2.5083  343.700   32.708    336.309   45.081    351.916   47.527    48.554  3.4896  49.572  3.6041  -1.018459      5.016686 
1 1 1 3   -18 42 o 22.438  3.6916  75.438    21.762    51.609    27.526    115.159   35.539    17.859  5.3407  27.018  5.0978  -9.158464      7.383183 
1 1 1 3   -18 43 o 16.860  3.1642  45.756    14.155    41.398    24.544    47.927    17.327    15.954  5.0912  17.765  3.7586  -1.811335      6.328329 
1 1 1 3   -18 44 o 10.365  2.6459  9.2681    12.452    -33.2598  22.481    28.091    14.956    7.3030  3.5584  13.427  3.9167  -6.124282      5.291748 
1 1 1 3   -18 45 o 11.950  3.2518  20.117    14.486    14.789    24.981    22.817    17.781    11.666  4.8484  12.233  4.3348  -0.5675955     6.503670 
1 1 1 3   -18 46 o 11.305  3.2306  16.003    14.349    12.180    27.096    17.493    16.916    11.493  4.9255  11.118  4.1817  0.3757420      6.461237 
1 1 1 3   -18 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -18 48 o 6.4108  2.2084  -18.0140  10.927    -49.6863  24.407    -10.0740  12.220    6.7171  3.3507  6.1044  2.8778  0.6127181      4.416844 
1 1 1 3   -18 49 o 9.4560  3.8167  -13.0018  12.877    -86.0895  25.494    12.032    14.920    ?       ?       9.4560  3.8167  ?              ?        
1 1 1 3   -17 0  f 173.432 3.5129  4045.51   163.073   3880.27   230.964   4209.78   230.276   169.885 5.0758  176.980 4.8578  -7.095337      7.025754 
1 1 1 3   -17 1  o 78.213  2.0718  820.294   43.399    820.248   61.758    820.338   61.001    78.211  2.9481  78.216  2.9117  -0.5493164E-02 4.143579 
1 1 1 3   -17 2  o 196.895 3.8895  5214.58   205.109   5158.94   290.644   5269.78   289.496   195.843 5.5407  197.948 5.4601  -2.104965      7.778976 
1 1 1 3   -17 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 14 o 128.250 3.8404  2214.72   131.804   2258.05   183.695   2168.74   189.226   129.559 5.2935  126.941 5.5653  2.617798       7.680726 
1 1 1 3   -17 15 o 259.959 4.9276  9124.65   343.104   9189.53   485.303   9059.81   485.142   260.890 6.9449  259.028 6.9925  1.862366       9.855296 
1 1 1 3   -17 16 o 115.416 2.5159  1788.03   77.761    1835.97   110.308   1740.67   109.635   116.957 3.5212  113.875 3.5944  3.081261       5.031801 
1 1 1 3   -17 17 o 75.610  1.9888  767.204   40.254    748.420   57.438    785.335   56.431    74.698  2.8708  76.522  2.7532  -1.824730      3.977652 
1 1 1 3   -17 18 o 71.302  1.9654  682.067   37.519    676.023   53.702    687.830   52.441    70.992  2.8242  71.613  2.7340  -0.6208191     3.930724 
1 1 1 3   -17 19 o 140.430 2.9194  2650.46   109.805   2651.29   156.164   2649.65   154.425   140.449 4.1512  140.411 4.1061  0.3822327E-01  5.838862 
1 1 1 3   -17 20 o 62.244  1.8791  518.935   31.304    538.156   45.395    501.508   43.225    63.341  2.6757  61.147  2.6392  2.193436       3.758245 
1 1 1 3   -17 21 o 155.165 3.1795  3239.41   132.132   3233.20   187.954   3245.48   185.790   155.013 4.5268  155.317 4.4660  -0.3038330     6.359002 
1 1 1 3   -17 22 o 189.190 3.7798  4827.26   191.490   4735.29   271.867   4917.81   269.761   187.384 5.4167  190.995 5.2731  -3.611816      7.559530 
1 1 1 3   -17 23 o 131.913 2.8299  2339.41   99.978    2357.09   142.501   2322.26   140.306   132.402 4.0182  131.424 3.9858  0.9775085      5.659713 
1 1 1 3   -17 24 o 73.520  2.1026  724.443   41.351    779.006   59.664    674.006   57.363    76.183  2.9239  70.858  3.0224  5.325378       4.205290 
1 1 1 3   -17 25 o 73.960  2.1111  734.510   41.799    731.718   60.035    737.138   58.231    73.821  3.0363  74.100  2.9339  -0.2792892     4.222188 
1 1 1 3   -17 26 o 99.140  2.3975  1320.83   63.649    1360.55   90.651    1282.20   89.390    100.613 3.3638  97.668  3.4170  2.945473       4.794905 
1 1 1 3   -17 27 o 148.992 3.1581  2994.39   126.026   3033.60   178.622   2955.52   177.837   149.967 4.4468  148.016 4.4857  1.951767       6.316273 
1 1 1 3   -17 28 o 92.970  2.3431  1163.02   58.341    1185.79   82.854    1140.62   82.164    93.875  3.2951  92.065  3.3319  1.810036       4.686103 
1 1 1 3   -17 29 o 39.996  2.1658  216.434   22.975    235.563   32.945    198.324   32.056    41.739  2.9662  38.253  3.1568  3.485615       4.331695 
1 1 1 3   -17 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 31 o 27.556  2.5327  105.063   17.963    85.470    25.224    125.225   25.587    24.820  3.9247  30.291  3.2022  -5.471399      5.065324 
1 1 1 3   -17 32 o 35.948  2.2187  176.025   21.149    176.280   29.956    175.771   29.863    35.974  3.1404  35.922  3.1351  0.5139923E-01  4.437492 
1 1 1 3   -17 33 o 38.421  2.1819  201.493   22.210    186.044   31.374    217.011   31.446    36.907  3.2056  39.935  2.9609  -3.027851      4.363796 
1 1 1 3   -17 34 o 63.645  2.1863  550.385   37.181    522.566   51.818    579.909   53.381    61.938  3.1336  65.352  3.0496  -3.414253      4.372597 
1 1 1 3   -17 35 o 22.965  2.7461  74.228    16.191    61.885    22.342    87.881    23.497    20.839  4.1486  25.092  3.5992  -4.253134      5.492249 
1 1 1 3   -17 36 o 31.090  2.4714  134.827   20.102    146.135   28.007    122.812   28.870    32.528  3.2585  29.653  3.7166  2.874901       4.942709 
1 1 1 3   -17 37 o 41.339  2.3238  237.883   25.265    266.645   35.162    207.182   36.327    44.063  2.9971  38.615  3.5521  5.447369       4.647557 
1 1 1 3   -17 38 o 36.221  2.5034  183.737   23.869    190.303   32.723    176.271   34.894    37.001  3.3377  35.440  3.7321  1.561829       5.006862 
1 1 1 3   -17 39 o 35.646  2.5758  178.805   24.197    175.749   33.076    182.324   35.492    35.364  3.5394  35.927  3.7431  -0.5633545     5.151585 
1 1 1 3   -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -17 41 o 18.151  3.0242  45.198    14.181    69.750    24.167    32.305    17.513    21.588  4.3301  14.714  4.2229  6.874836       6.048350 
1 1 1 3   -17 42 o 48.011  2.2516  324.498   28.299    343.905   44.768    311.581   36.522    48.977  3.4343  47.046  2.9127  1.931057       4.503139 
1 1 1 3   -17 43 o 37.519  2.3779  200.175   22.980    221.799   37.836    187.537   28.926    38.818  3.6831  36.220  3.0088  2.597378       4.755861 
1 1 1 3   -17 44 o 32.803  2.5962  161.018   21.455    160.210   35.399    161.487   26.974    32.217  4.2022  33.389  3.0499  -1.171402      5.192339 
1 1 1 3   -17 45 o 13.074  3.1835  27.464    14.468    9.7176    25.219    36.170    17.663    11.163  4.7670  14.985  4.2208  -3.822238      6.367031 
1 1 1 3   -17 46 o 16.991  3.4609  43.630    16.368    75.216    28.650    28.323    19.944    20.745  5.1736  13.237  4.5983  7.508291       6.921737 
1 1 1 3   -17 47 o 30.638  4.1739  176.857   32.121    184.168   41.337    165.715   51.032    32.971  4.8234  28.306  6.8132  4.665886       8.347747 
1 1 1 3   -17 48 o 11.341  3.3568  15.114    15.478    25.544    29.805    11.262    18.112    12.676  5.2844  10.007  4.1411  2.669018       6.713682 
1 1 1 3   -17 49 o 8.4895  2.8370  -9.1055   14.170    3.5845    28.577    -13.2426  16.317    10.144  4.6493  6.8354  3.2526  3.308210       5.674088 
1 1 1 3   -16 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -16 1  o 76.951  2.9428  793.668   59.644    982.562   87.428    629.226   81.574    85.583  3.8140  68.320  4.4826  17.26311       5.885569 
1 1 1 3   -16 2  o 288.920 5.4710  11253.44  423.299   11010.89  599.069   11495.30  598.202   285.789 7.8260  292.051 7.6472  -6.262299      10.94193 
1 1 1 3   -16 3  o 119.539 2.5933  1916.33   83.032    1922.50   117.811   1910.25   117.041   119.730 3.6736  119.349 3.6613  0.3815765      5.186559 
1 1 1 3   -16 4  o 190.834 3.7921  4893.70   193.670   4664.27   273.991   5122.79   273.791   186.349 5.4893  195.320 5.2334  -8.970596      7.584282 
1 1 1 3   -16 5  o 251.997 4.8317  8541.86   326.124   8589.42   461.418   8494.37   461.000   252.701 6.8171  251.294 6.8491  1.407227       9.663439 
1 1 1 3   -16 6  o 115.688 2.4862  1794.49   77.031    1763.16   108.822   1825.95   109.056   114.675 3.5429  116.700 3.4889  -2.025803      4.972381 
1 1 1 3   -16 7  o 271.762 5.1313  9938.64   373.505   10022.06  528.118   9855.16   528.314   272.909 7.2248  270.615 7.2887  2.293457       10.26268 
1 1 1 3   -16 8  o 109.922 2.3897  1619.84   70.352    1591.31   99.179    1648.75   99.810    108.947 3.3987  110.898 3.3602  -1.950287      4.779325 
1 1 1 3   -16 9  o 216.971 4.1692  6325.46   242.279   6236.44   342.270   6414.87   343.001   215.436 5.9314  218.505 5.8606  -3.068863      8.338406 
1 1 1 3   -16 10 o 318.941 6.0085  13720.13  513.295   13696.29  725.568   13744.00  726.249   318.663 8.5008  319.219 8.4939  -0.5564270     12.01704 
1 1 1 3   -16 11 o 198.779 3.8307  5308.02   203.953   5347.87   288.218   5268.06   288.649   199.529 5.3930  198.029 5.4419  1.499802       7.661495 
1 1 1 3   -16 12 o 332.059 6.2014  14894.39  551.513   15114.78  779.933   14673.96  779.983   334.537 8.7041  329.581 8.8356  4.956421       12.40275 
1 1 1 3   -16 13 o 100.102 2.2433  1343.73   60.141    1363.17   84.920    1324.17   85.186    100.829 3.1444  99.375  3.2004  1.454872       4.486593 
1 1 1 3   -16 14 o 127.667 2.6811  2187.23   91.661    2242.92   129.674   2131.61   129.583   129.295 3.7444  126.040 3.8384  3.255081       5.362267 
1 1 1 3   -16 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -16 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -16 17 o 131.050 3.3684  2302.64   111.407   2327.05   193.620   2290.55   136.214   131.486 5.4977  130.615 3.8935  0.8713989      6.736793 
1 1 1 3   -16 18 o 51.724  1.7916  359.245   24.749    357.419   35.822    360.913   34.233    51.564  2.6021  51.884  2.4634  -0.3204651     3.583128 
1 1 1 3   -16 19 o 89.937  2.1783  1085.04   52.461    1093.71   75.184    1076.81   73.237    90.286  3.1090  89.588  3.0520  0.6975250      4.356660 
1 1 1 3   -16 20 o 22.617  2.2063  70.377    12.865    66.458    19.304    73.508    17.256    21.997  3.3850  23.238  2.8308  -1.241301      4.412663 
1 1 1 3   -16 21 o 151.786 3.1266  3099.14   127.084   3057.37   180.798   3139.93   178.669   150.766 4.4771  152.805 4.3654  -2.038376      6.253114 
1 1 1 3   -16 22 o 111.622 2.5249  1673.78   75.466    1658.87   107.730   1688.14   105.748   111.130 3.6193  112.114 3.5214  -0.9848557     5.049710 
1 1 1 3   -16 23 o 96.998  2.3488  1263.44   61.002    1259.62   87.348    1267.08   85.230    96.851  3.3671  97.145  3.2755  -0.2936020     4.697525 
1 1 1 3   -16 24 o 220.110 4.2837  6547.31   252.534   6648.79   357.838   6446.62   356.440   221.821 6.0228  218.399 6.0932  3.421295       8.567425 
1 1 1 3   -16 25 o 182.499 3.6899  4492.34   180.369   4469.30   255.413   4515.27   254.749   182.027 5.2386  182.971 5.1980  -0.9436951     7.379886 
1 1 1 3   -16 26 o 126.648 2.7851  2157.74   94.454    2219.71   133.940   2096.44   133.219   128.464 3.8926  124.833 3.9843  3.630676       5.570172 
1 1 1 3   -16 27 o 82.096  2.2248  905.547   48.901    940.083   69.432    871.553   68.885    83.653  3.0987  80.539  3.1932  3.114464       4.449599 
1 1 1 3   -16 28 f 101.026 2.4818  1373.25   67.151    1353.07   94.823    1393.55   95.110    100.279 3.5303  101.774 3.4890  -1.494743      4.963501 
1 1 1 3   -16 29 o 100.044 2.4802  1348.32   66.446    1379.02   93.809    1317.41   94.128    101.195 3.4610  98.894  3.5536  2.300972       4.960462 
1 1 1 3   -16 30 o 71.506  2.2007  688.700   42.138    701.237   59.284    675.897   59.906    72.170  3.0669  70.842  3.1571  1.327141       4.401469 
1 1 1 3   -16 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -16 32 o 86.592  2.3442  1014.04   54.353    1030.98   76.385    996.665   77.356    87.336  3.2653  85.847  3.3642  1.489929       4.688303 
1 1 1 3   -16 33 o 76.909  2.2732  801.472   46.799    814.712   65.411    787.588   66.984    77.578  3.1479  76.241  3.2802  1.337265       4.546315 
1 1 1 3   -16 34 o 90.076  2.4310  1103.79   58.641    1092.13   81.965    1116.01   83.932    89.598  3.4154  90.554  3.4604  -0.9558334     4.862050 
1 1 1 3   -16 35 o 18.935  3.0614  52.745    15.468    68.518    21.201    34.793    22.618    22.088  3.7153  15.781  4.8668  6.306975       6.122821 
1 1 1 3   -16 36 o 13.647  3.2372  24.731    14.041    28.339    18.973    20.361    20.878    14.287  4.4658  13.006  4.6876  1.281799       6.474352 
1 1 1 3   -16 37 o 80.806  2.4319  898.580   52.561    930.914   73.369    864.490   75.336    82.369  3.3255  79.244  3.5493  3.124908       4.863828 
1 1 1 3   -16 38 o 14.716  3.4177  29.629    15.590    25.221    21.221    34.797    22.979    13.797  4.7460  15.636  4.9192  -1.839819      6.835457 
1 1 1 3   -16 39 o 12.733  2.9202  23.025    11.897    8.9110    20.728    29.958    14.528    11.076  4.4888  14.390  3.7362  -3.313506      5.840302 
1 1 1 3   -16 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -16 41 f 31.581  2.4591  143.097   19.671    137.564   31.945    146.476   24.965    30.804  3.9638  32.357  2.9117  -1.553684      4.918259 
1 1 1 3   -16 42 f 26.713  2.7579  104.652   18.234    105.326   30.653    104.283   22.684    26.403  4.4955  27.023  3.1959  -0.6200542     5.515734 
1 1 1 3   -16 43 o 28.674  2.8044  124.732   19.734    115.011   32.830    130.232   24.693    27.217  4.6716  30.132  3.1040  -2.914816      5.608818 
1 1 1 3   -16 44 o 12.026  3.0672  19.774    14.209    -4.8983   24.907    31.676    17.300    9.8377  4.4426  14.215  4.2301  -4.377355      6.134392 
1 1 1 3   -16 45 o 13.417  3.2184  28.812    15.282    6.7642    25.841    40.670    18.951    10.973  4.7569  15.861  4.3365  -4.887826      6.436828 
1 1 1 3   -16 46 o 17.972  3.5275  55.345    17.127    56.749    28.994    54.592    21.227    17.692  5.5191  18.253  4.3945  -0.5607166     7.054959 
1 1 1 3   -16 47 o 12.919  3.1990  26.342    16.630    -13.4186  30.286    43.505    19.898    9.7736  4.5832  16.065  4.4640  -6.291006      6.397950 
1 1 1 3   -16 48 o 12.606  3.4262  18.261    15.912    49.527    28.705    4.3926    19.118    15.897  5.5169  9.3151  4.0643  6.581897       6.852349 
1 1 1 3   -16 49 o 12.070  3.2850  13.123    15.037    54.644    27.926    -3.8322   17.845    16.120  5.4460  8.0202  3.6752  8.099977       6.570083 
1 1 1 3   -15 0  o 299.244 5.6605  12062.92  453.513   11665.43  641.543   12459.97  641.185   294.287 8.1389  304.201 7.8693  -9.913940      11.32108 
1 1 1 3   -15 1  o 155.506 3.1681  3244.23   131.935   3189.15   187.077   3298.74   186.097   154.190 4.5297  156.822 4.4304  -2.632401      6.336164 
1 1 1 3   -15 2  o 150.844 3.1013  3051.88   125.288   3011.71   177.631   3091.65   176.741   149.855 4.4255  151.834 4.3459  -1.979660      6.202544 
1 1 1 3   -15 3  o 146.334 3.0332  2871.63   118.877   2836.73   168.459   2906.25   167.777   145.447 4.3242  147.222 4.2547  -1.774612      6.066383 
1 1 1 3   -15 4  o 146.990 2.9818  2896.85   117.391   2927.87   166.232   2866.00   165.801   147.775 4.1998  146.204 4.2339  1.571198       5.963517 
1 1 1 3   -15 5  f 187.251 3.6623  4704.71   183.604   4868.41   259.829   4541.45   259.483   190.510 5.0919  183.991 5.2653  6.518631       7.324681 
1 1 1 3   -15 6  o 258.844 4.8665  8998.67   337.396   8961.00   477.017   9036.39   477.284   258.300 6.8948  259.387 6.8697  -1.086975      9.732986 
1 1 1 3   -15 7  o 176.964 3.4445  4200.12   163.264   4224.56   230.699   4175.61   231.082   177.481 4.8529  176.448 4.8894  1.033066       6.888951 
1 1 1 3   -15 8  o 184.940 3.6011  4587.87   178.382   4575.57   251.985   4600.24   252.557   184.691 5.0938  185.188 5.0916  -0.4973907     7.202171 
1 1 1 3   -15 9  o 200.222 3.8478  5379.04   206.352   5376.56   291.524   5381.54   292.130   200.176 5.4372  200.268 5.4460  -0.9205627E-01 7.695535 
1 1 1 3   -15 10 o 181.318 3.5187  4410.42   170.873   4334.68   241.326   4486.56   241.976   179.755 5.0123  182.882 4.9398  -3.126648      7.037386 
1 1 1 3   -15 11 o 239.207 4.4848  7685.50   287.349   7669.56   406.154   7701.48   406.593   238.958 6.3457  239.456 6.3394  -0.4973450     8.969700 
1 1 1 3   -15 12 o 76.643  1.9452  787.259   39.927    799.182   56.324    775.215   56.607    77.226  2.7229  76.059  2.7786  1.167755       3.890394 
1 1 1 3   -15 13 o 168.763 3.3102  3821.72   149.629   3851.06   211.599   3792.38   211.615   169.413 4.6632  168.114 4.6995  1.298264       6.620457 
1 1 1 3   -15 14 o 78.541  1.9543  826.704   41.109    842.331   58.374    811.328   57.902    79.277  2.7490  77.804  2.7785  1.473228       3.908580 
1 1 1 3   -15 15 o 53.255  1.7287  379.997   24.653    383.493   35.293    376.666   34.451    53.494  2.4632  53.016  2.4261  0.4777489      3.457338 
1 1 1 3   -15 16 o 148.618 3.0181  2964.70   120.141   2990.17   170.610   2939.64   169.207   149.251 4.2677  147.985 4.2689  1.266602       6.036288 
1 1 1 3   -15 17 o 143.290 4.1312  2761.43   158.510   2841.90   227.317   2685.26   221.145   145.322 5.8400  141.259 5.8448  4.062408       8.262423 
1 1 1 3   -15 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -15 19 o 55.264  1.8201  409.055   26.911    418.231   39.153    400.838   37.050    55.850  2.6173  54.678  2.5298  1.171463       3.640110 
1 1 1 3   -15 20 o 64.622  1.9289  560.142   33.354    558.133   48.209    561.987   46.195    64.509  2.7901  64.736  2.6642  -0.2265625     3.857799 
1 1 1 3   -15 21 o 111.966 2.5027  1683.17   75.045    1683.83   107.107   1682.54   105.178   111.985 3.5708  111.947 3.5077  0.3766632E-01  5.005490 
1 1 1 3   -15 22 o 120.123 2.6426  1938.28   85.017    1940.26   121.053   1936.36   119.428   120.182 3.7605  120.065 3.7136  0.1165237      5.285141 
1 1 1 3   -15 23 o 152.770 3.1766  3140.32   129.971   3102.07   184.226   3178.22   183.389   151.838 4.5298  153.702 4.4546  -1.864288      6.353157 
1 1 1 3   -15 24 o 157.549 3.2477  3341.47   137.002   3454.75   194.190   3229.21   193.314   160.220 4.5250  154.879 4.6600  5.341064       6.495479 
1 1 1 3   -15 25 o 135.174 2.9030  2457.86   105.065   2539.48   148.738   2376.58   148.431   137.423 4.0409  132.925 4.1690  4.497925       5.805948 
1 1 1 3   -15 26 o 105.187 2.5213  1487.21   71.001    1543.39   100.501   1431.23   100.319   107.177 3.5009  103.197 3.6293  3.980400       5.042675 
1 1 1 3   -15 27 o 70.765  2.1285  672.534   40.335    690.122   57.080    654.993   57.005    71.692  2.9726  69.839  3.0474  1.853065       4.257089 
1 1 1 3   -15 28 o 83.726  2.2682  942.344   50.852    957.598   71.466    926.699   72.375    84.417  3.1607  83.035  3.2542  1.381546       4.536457 
1 1 1 3   -15 29 o 163.937 3.4272  3634.97   150.430   3734.58   212.127   3534.20   213.359   166.223 4.7645  161.651 4.9277  4.572388       6.854378 
1 1 1 3   -15 30 o 43.456  2.1314  254.970   24.640    244.816   34.182    265.952   35.549    42.552  3.0187  44.361  3.0097  -1.808647      4.262717 
1 1 1 3   -15 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -15 32 o 117.318 2.7550  1865.61   86.544    1891.17   121.417   1839.22   123.389   118.156 3.8365  116.481 3.9549  1.675499       5.509964 
1 1 1 3   -15 33 o 49.631  2.1936  337.342   28.700    383.019   39.987    288.812   41.217    53.199  2.8163  46.064  3.3639  7.134712       4.387145 
1 1 1 3   -15 34 o 52.828  2.1465  378.688   30.223    363.926   41.794    394.868   43.756    51.749  3.0284  53.907  3.0429  -2.158379      4.293065 
1 1 1 3   -15 35 o 30.730  2.3988  130.264   19.384    132.144   26.812    128.205   28.056    30.993  3.2796  30.467  3.5017  0.5264206      4.797634 
1 1 1 3   -15 36 o 47.275  2.2486  305.326   28.252    280.979   38.942    332.382   41.051    45.265  3.2332  49.286  3.1258  -4.021057      4.497161 
1 1 1 3   -15 37 o 69.013  2.3190  653.177   42.795    670.721   59.374    634.207   61.738    70.031  3.1653  67.995  3.3899  2.036438       4.637955 
1 1 1 3   -15 38 o 63.169  2.1778  549.779   36.448    527.676   54.599    567.546   48.952    61.869  3.3067  64.469  2.8348  -2.600475      4.355523 
1 1 1 3   -15 39 o 69.361  2.2165  662.835   40.876    659.532   61.520    665.446   54.695    69.087  3.3245  69.635  2.9325  -0.5473099     4.433022 
1 1 1 3   -15 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -15 41 o 11.701  3.0716  16.188    12.201    17.631    21.581    15.511    14.791    12.354  4.7053  11.047  3.9494  1.306520       6.143108 
1 1 1 3   -15 42 o 13.843  3.0555  29.398    14.294    1.6002    25.233    42.533    17.345    10.811  4.6936  16.875  3.9134  -6.063701      6.111032 
1 1 1 3   -15 43 o 22.702  3.0244  76.694    17.184    86.144    28.572    71.339    21.509    23.519  4.6999  21.884  3.8078  1.635443       6.048882 
1 1 1 3   -15 44 o 26.680  2.9216  108.878   19.236    108.381   32.195    109.154   23.988    26.081  4.7850  27.279  3.3537  -1.197660      5.843235 
1 1 1 3   -15 45 o 29.060  2.8049  124.185   20.551    152.048   34.862    109.344   25.442    31.175  4.2886  26.946  3.6164  4.228380       5.609794 
1 1 1 3   -15 46 o 14.109  3.2051  33.646    16.161    1.8111    27.988    49.570    19.794    10.725  4.7868  17.493  4.2635  -6.767597      6.410211 
1 1 1 3   -15 47 o 12.846  3.3470  26.396    15.969    10.675    27.299    34.574    19.689    11.341  4.9027  14.352  4.5579  -3.011075      6.694054 
1 1 1 3   -15 48 o 16.747  3.4498  40.215    16.206    86.534    30.349    21.738    19.168    21.696  5.2738  11.798  4.4487  9.898026       6.899529 
1 1 1 3   -15 49 o 10.463  2.9186  12.979    14.609    -29.2876  28.223    28.450    17.075    8.1963  3.9922  12.730  4.2586  -4.533518      5.837273 
1 1 1 3   -14 0  o 237.582 4.5538  7579.14   289.678   7345.88   409.928   7811.82   409.407   233.921 6.5426  241.244 6.3359  -7.322678      9.107656 
1 1 1 3   -14 1  o 427.778 7.9762  24666.08  913.909   24691.22  1293.10   24640.99  1291.83   427.996 11.280  427.560 11.280  0.4356384      15.95238 
1 1 1 3   -14 2  o 269.407 5.1208  9744.15   369.516   9814.92   523.166   9673.70   521.984   270.385 7.2238  268.430 7.2600  1.955566       10.24166 
1 1 1 3   -14 3  f 167.788 3.3632  3774.74   151.117   3690.38   213.922   3858.77   213.501   165.914 4.8137  169.661 4.6982  -3.747360      6.726428 
1 1 1 3   -14 4  o 134.535 2.7924  2426.02   100.591   2503.14   142.439   2349.30   142.076   136.670 3.8911  132.401 4.0063  4.268829       5.584842 
1 1 1 3   -14 5  o 249.813 4.7245  8373.39   316.126   8346.17   446.968   8400.64   447.171   249.406 6.6908  250.220 6.6721  -0.8138123     9.449019 
1 1 1 3   -14 6  o 369.405 6.8327  18346.49  676.053   18394.74  955.918   18298.20  956.250   369.893 9.6484  368.917 9.6773  0.9761353      13.66535 
1 1 1 3   -14 7  o 98.736  2.2212  1306.06   58.728    1267.34   82.661    1345.51   83.452    97.258  3.1731  100.214 3.1090  -2.955376      4.442380 
1 1 1 3   -14 8  o 264.632 4.9955  9398.83   354.082   9425.25   500.479   9372.35   501.017   265.005 7.0509  264.258 7.0784  0.7469482      9.990920 
1 1 1 3   -14 9  o 270.750 5.0968  9840.52   369.598   9957.85   522.510   9723.04   522.871   272.369 7.1622  269.131 7.2534  3.238373       10.19359 
1 1 1 3   -14 10 o 102.387 2.2880  1404.72   62.744    1417.03   88.498    1392.29   88.970    102.838 3.2128  101.936 3.2586  0.9020538      4.576097 
1 1 1 3   -14 11 o 373.189 6.9008  18743.51  689.686   19131.29  975.503   18355.95  975.224   377.067 9.6587  369.311 9.8588  7.756042       13.80170 
1 1 1 3   -14 12 o 79.277  1.9691  842.065   41.812    843.897   59.172    840.239   59.089    79.364  2.7836  79.191  2.7857  0.1722107      3.938134 
1 1 1 3   -14 13 o 364.646 6.7596  17911.69  660.100   18303.21  934.007   17520.98  933.039   368.650 9.4590  360.643 9.6590  8.006683       13.51925 
1 1 1 3   -14 14 o 93.673  2.1956  1175.84   55.061    1226.72   78.380    1126.26   77.365    95.675  3.0586  91.671  3.1508  4.003326       4.391196 
1 1 1 3   -14 15 o 349.777 6.5345  16502.13  612.193   16616.77  866.557   16387.90  864.988   350.996 9.2173  348.558 9.2650  2.438385       13.06905 
1 1 1 3   -14 16 o 131.980 2.7553  2336.10   97.394    2351.00   138.658   2321.59   136.832   132.394 3.9101  131.565 3.8829  0.8292389      5.510534 
1 1 1 3   -14 17 o 185.750 3.6512  4635.22   181.650   4621.67   257.880   4648.56   255.917   185.478 5.1908  186.023 5.1362  -0.5449677     7.302419 
1 1 1 3   -14 18 o 175.359 3.4770  4131.82   163.302   4112.12   232.043   4151.15   229.860   174.941 4.9521  175.777 4.8822  -0.8363495     6.954049 
1 1 1 3   -14 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -14 20 o 162.540 4.0586  3552.55   166.210   3574.68   289.452   3541.67   203.017   162.762 6.6395  162.317 4.6696  0.4453430      8.117126 
1 1 1 3   -14 21 o 71.296  2.0077  681.604   38.333    691.173   54.834    672.458   53.609    71.785  2.8519  70.807  2.8266  0.9775391      4.015330 
1 1 1 3   -14 22 o 125.206 2.7198  2105.76   91.200    2154.34   129.403   2057.81   128.553   126.645 3.8148  123.768 3.8778  2.876122       5.439629 
1 1 1 3   -14 23 o 52.338  1.9207  367.932   26.847    389.534   38.289    347.039   37.654    53.890  2.6526  50.787  2.7786  3.103657       3.841460 
1 1 1 3   -14 24 o 88.546  2.2607  1052.66   53.601    1084.64   75.896    1020.84   75.710    89.891  3.1522  87.201  3.2415  2.689285       4.521450 
1 1 1 3   -14 25 o 187.929 3.7522  4762.26   188.865   4801.23   266.850   4723.14   267.342   188.706 5.2795  187.152 5.3331  1.553833       7.504355 
1 1 1 3   -14 26 o 54.155  2.0666  394.881   29.856    401.356   41.943    388.230   42.509    54.611  2.8776  53.700  2.9670  0.9112473      4.133182 
1 1 1 3   -14 27 o 102.127 2.4737  1401.31   67.660    1382.34   94.951    1420.88   96.439    101.426 3.4951  102.829 3.5014  -1.403320      4.947317 
1 1 1 3   -14 28 o 158.628 3.3134  3393.70   140.748   3450.30   198.213   3336.13   199.894   159.976 4.6258  157.280 4.7450  2.696350       6.626715 
1 1 1 3   -14 29 o 61.059  2.1182  500.938   34.637    500.877   48.562    501.000   49.416    61.057  2.9694  61.061  3.0215  -0.3982544E-02 4.236377 
1 1 1 3   -14 30 o 45.078  2.1234  274.349   25.455    255.409   35.583    294.202   36.430    43.469  3.0760  46.688  2.9280  -3.218487      4.246722 
1 1 1 3   -14 31 o 68.029  2.6509  629.411   45.702    637.282   56.618    614.691   77.427    68.798  3.0725  67.259  4.3207  1.539268       5.301763 
1 1 1 3   -14 32 o 15.950  3.2177  35.519    14.911    46.259    20.375    23.135    21.880    18.111  4.2698  13.789  4.8148  4.322463       6.435356 
1 1 1 3   -14 33 o 90.617  2.4409  1111.38   59.224    1105.38   82.571    1117.73   84.993    90.377  3.4110  90.857  3.4925  -0.4804535     4.881840 
1 1 1 3   -14 34 o 48.424  2.1650  317.868   27.893    295.248   38.471    342.938   40.500    46.597  3.1001  50.252  3.0230  -3.655182      4.330035 
1 1 1 3   -14 35 o 38.730  2.3323  207.936   23.578    241.870   32.857    171.910   33.854    42.141  2.9292  35.320  3.6302  6.820438       4.664558 
1 1 1 3   -14 36 o 46.647  2.0014  292.775   24.725    332.213   37.642    262.849   32.790    49.377  2.8584  43.918  2.8021  5.459366       4.002768 
1 1 1 3   -14 37 o 45.022  2.1133  281.651   24.798    253.242   37.943    302.832   32.763    42.885  3.3294  47.160  2.6038  -4.275169      4.226636 
1 1 1 3   -14 38 o 58.787  2.1303  475.306   33.171    456.434   49.706    490.458   44.540    57.594  3.2353  59.979  2.7724  -2.385204      4.260650 
1 1 1 3   -14 39 o 16.299  3.0502  40.393    13.609    28.371    22.638    47.197    17.031    14.446  4.9031  18.152  3.6296  -3.706408      6.100417 
1 1 1 3   -14 40 o 39.508  2.9340  224.634   28.993    229.280   36.156    216.266   48.525    40.503  3.3632  38.514  4.8087  1.989464       5.868098 
1 1 1 3   -14 41 o 45.574  2.2159  290.665   26.369    288.324   41.327    292.272   34.246    45.226  3.4373  45.922  2.7976  -0.6960411     4.431858 
1 1 1 3   -14 42 o 55.254  2.2739  432.642   32.874    419.800   51.121    441.698   42.927    54.256  3.5370  56.251  2.8585  -1.994839      4.547719 
1 1 1 3   -14 43 o 18.561  3.2586  49.920    15.440    68.274    27.077    41.077    18.796    20.770  4.9393  16.353  4.2516  4.417463       6.517166 
1 1 1 3   -14 44 o 22.009  3.1697  77.329    17.121    71.378    29.561    80.332    21.002    20.705  5.3061  23.313  3.4690  -2.608759      6.339433 
1 1 1 3   -14 45 o 19.242  3.3126  60.500    16.226    59.930    28.413    60.776    19.766    18.616  5.3892  19.867  3.8536  -1.250366      6.625230 
1 1 1 3   -14 46 o 30.122  3.2255  154.708   22.558    115.904   37.904    175.990   28.070    25.564  5.6829  34.681  3.0529  -9.116781      6.450980 
1 1 1 3   -14 47 o 8.8642  2.8757  -9.1733   13.282    8.8458    26.372    -15.2977  15.374    11.078  4.8038  6.6507  3.1626  4.426941       5.751371 
1 1 1 3   -14 48 o 15.230  3.4987  29.959    16.388    77.411    30.891    11.372    19.333    20.178  5.5446  10.282  4.2686  9.896500       6.997424 
1 1 1 3   -14 49 o 16.852  3.2131  60.584    17.939    15.905    33.167    79.059    21.328    11.698  5.2165  22.007  3.7529  -10.30913      6.426231 
1 1 1 3   -13 0  o 324.870 6.0681  14176.33  527.934   13878.60  746.781   14473.79  746.442   321.450 8.6734  328.290 8.4889  -6.840485      12.13627 
1 1 1 3   -13 1  o 253.609 4.8258  8628.90   327.783   8510.72   463.947   8746.68   463.164   251.872 6.8770  255.346 6.7720  -3.474411      9.651587 
1 1 1 3   -13 2  o 146.035 3.0410  2858.08   118.945   2836.84   168.577   2879.14   167.853   145.494 4.3258  146.576 4.2754  -1.081802      6.082066 
1 1 1 3   -13 3  o 341.217 6.3670  15636.14  581.894   15779.31  823.316   15493.25  822.530   342.782 8.9673  339.653 9.0412  3.129028       12.73403 
1 1 1 3   -13 4  f 429.503 7.9485  24811.15  914.387   25030.15  1293.36   24592.31  1292.92   431.406 11.193  427.600 11.289  3.805267       15.89707 
1 1 1 3   -13 5  o 534.227 9.7912  38468.14  1401.02   38255.07  1981.02   38681.36  1981.66   532.738 13.883  535.716 13.810  -2.978027      19.58230 
1 1 1 3   -13 6  o 374.471 6.9351  18841.01  695.599   18899.35  983.519   18782.63  983.933   375.053 9.7904  373.889 9.8250  1.164154       13.87022 
1 1 1 3   -13 7  o 59.375  3.6613  555.289   47.798    685.463   58.928    304.930   81.723    71.531  3.0757  47.220  6.6453  24.31104       7.322578 
1 1 1 3   -13 8  o 553.255 10.169  41288.54  1506.91   41468.08  2130.96   41108.96  2131.23   554.467 14.349  552.043 14.413  2.423889       20.33790 
1 1 1 3   -13 9  o 402.819 7.4354  21817.33  802.227   21657.53  1134.16   21977.34  1134.88   401.337 10.551  404.300 10.480  -2.963104      14.87086 
1 1 1 3   -13 10 o 115.784 2.4545  1796.27   76.118    1812.96   107.488   1779.48   107.807   116.324 3.4499  115.244 3.4925  1.079613       4.909088 
1 1 1 3   -13 11 o 339.990 6.3090  15529.64  574.518   15659.09  812.529   15400.21  812.452   341.411 8.8853  338.569 8.9591  2.842651       12.61797 
1 1 1 3   -13 12 o 523.349 9.6135  36969.22  1347.61   36889.12  1905.88   37049.31  1905.72   522.778 13.611  523.921 13.580  -1.143127      19.22707 
1 1 1 3   -13 13 o 361.671 6.7218  17592.21  651.164   17574.29  921.310   17610.11  920.461   361.486 9.5154  361.857 9.4969  -0.3712158     13.44368 
1 1 1 3   -13 14 o 97.422  2.2396  1272.00   58.426    1259.53   83.349    1284.06   81.922    96.952  3.2097  97.893  3.1244  -0.9409485     4.479248 
1 1 1 3   -13 15 o 337.270 6.2995  15309.89  569.076   15399.17  805.786   15221.06  803.808   338.254 8.8938  336.286 8.9239  1.967407       12.59904 
1 1 1 3   -13 16 o 149.494 3.0639  2997.98   122.650   2948.38   174.448   3046.46   172.477   148.268 4.3927  150.719 4.2724  -2.451813      6.127728 
1 1 1 3   -13 17 o 82.954  2.0765  922.244   46.116    924.108   66.272    920.493   64.212    83.034  2.9798  82.873  2.8928  0.1606064      4.152969 
1 1 1 3   -13 18 o 25.913  1.9727  90.634    13.418    102.338   19.656    80.422    18.361    27.500  2.7035  24.325  2.8735  3.174534       3.945406 
1 1 1 3   -13 19 o 205.065 4.0036  5655.78   219.895   5617.96   311.637   5693.27   310.324   204.377 5.6928  205.752 5.6309  -1.374756      8.007238 
1 1 1 3   -13 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -13 21 o 159.913 3.2736  3437.47   140.210   3481.25   198.521   3393.90   198.052   160.932 4.6055  158.894 4.6535  2.037796       6.547224 
1 1 1 3   -13 22 f 204.678 4.0229  5645.30   220.533   5714.43   311.905   5576.19   311.857   205.939 5.6545  203.417 5.7237  2.521301       8.045774 
1 1 1 3   -13 23 o 78.925  2.1260  835.953   44.926    808.303   63.443    863.765   63.628    77.614  3.0518  80.237  2.9606  -2.623138      4.251933 
1 1 1 3   -13 24 o 219.708 4.2886  6517.64   252.378   6481.53   356.425   6553.96   357.411   219.096 6.0736  220.321 6.0565  -1.225815      8.577280 
1 1 1 3   -13 25 o 45.240  2.0078  275.624   24.203    271.726   33.854    279.698   34.614    44.913  2.8286  45.568  2.8503  -0.6545486     4.015686 
1 1 1 3   -13 26 o 134.031 2.9103  2415.51   104.464   2355.64   146.835   2476.86   148.650   132.346 4.1422  135.716 4.0893  -3.369888      5.820632 
1 1 1 3   -13 27 o 72.217  2.1623  700.165   41.811    700.155   58.331    700.176   59.961    72.219  3.0155  72.215  3.0999  0.3829956E-02  4.324668 
1 1 1 3   -13 28 o 247.132 4.8172  8290.94   318.846   8380.68   449.891   8200.37   451.948   248.502 6.7591  245.763 6.8657  2.739273       9.634454 
1 1 1 3   -13 29 o 147.084 3.1659  2917.04   124.711   2914.92   175.138   2919.22   177.624   147.037 4.4470  147.132 4.5072  -0.9495544E-01 6.331709 
1 1 1 3   -13 30 o 49.813  2.1445  335.760   28.387    351.617   39.277    318.419   41.073    51.070  2.8831  48.556  3.1756  2.514374       4.289097 
1 1 1 3   -13 31 o 40.329  2.2562  222.740   23.857    254.621   33.159    188.528   34.349    43.416  2.8676  37.241  3.4840  6.174576       4.512333 
1 1 1 3   -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -13 33 o 98.742  2.5188  1319.36   66.597    1307.69   92.837    1331.72   95.587    98.304  3.5259  99.181  3.5982  -0.8776093     5.037694 
1 1 1 3   -13 34 o 25.378  2.3475  85.289    14.545    136.944   23.008    50.903    18.772    31.735  2.7334  19.021  3.8173  12.71461       4.695047 
1 1 1 3   -13 35 o 49.174  1.9856  325.130   25.901    360.052   39.214    298.104   34.497    51.490  2.8546  46.859  2.7607  4.631050       3.971159 
1 1 1 3   -13 36 o 18.520  2.6939  47.338    12.573    54.364    20.801    43.294    15.783    19.530  4.1066  17.509  3.4878  2.020884       5.387861 
1 1 1 3   -13 37 o 31.299  2.2457  138.189   17.966    119.025   27.723    152.063   23.590    29.235  3.6176  33.364  2.6619  -4.128813      4.491415 
1 1 1 3   -13 38 o 50.031  2.0810  340.796   27.552    359.373   42.052    326.824   36.470    51.168  3.0827  48.894  2.7964  2.273861       4.162069 
1 1 1 3   -13 39 o 35.389  2.2385  173.228   20.573    174.498   32.462    172.375   26.595    35.381  3.4700  35.396  2.8288  -0.1434326E-01 4.476977 
1 1 1 3   -13 40 o 44.743  2.1912  274.503   25.805    297.190   40.165    258.556   33.674    46.224  3.2651  43.262  2.9232  2.961678       4.382484 
1 1 1 3   -13 41 f 35.923  2.3403  180.932   21.736    184.135   34.718    178.868   27.876    36.002  3.6508  35.845  2.9290  0.1575508      4.680566 
1 1 1 3   -13 42 o 17.350  3.0922  50.465    15.338    21.011    26.123    65.960    18.947    13.317  5.1501  21.383  3.4237  -8.065340      6.184335 
1 1 1 3   -13 43 o 19.416  3.2247  62.534    16.279    43.361    27.834    72.502    20.069    16.542  5.4334  22.291  3.4746  -5.748678      6.449350 
1 1 1 3   -13 44 o 8.2291  2.6343  -4.8272   11.391    -4.3099   21.054    -5.0413   13.544    9.1953  4.1243  7.2629  3.2783  1.932420       5.268555 
1 1 1 3   -13 45 o 12.999  3.2920  20.813    14.143    41.226    24.931    11.127    17.173    15.724  5.1411  10.275  4.1132  5.448751       6.584058 
1 1 1 3   -13 46 o 10.385  3.0103  -2.2098   12.822    32.493    25.128    -14.4256  14.909    14.137  5.1354  6.6326  3.1423  7.504709       6.020502 
1 1 1 3   -13 47 o 16.060  3.5193  47.245    17.461    29.255    31.443    55.266    20.996    13.750  5.5439  18.370  4.3367  -4.620714      7.038567 
1 1 1 3   -13 48 o 7.6252  2.5483  -15.1557  13.829    -48.7261  26.928    -3.1311   16.116    7.3207  3.6296  7.9297  3.5780  -0.6090140     5.096645 
1 1 1 3   -13 49 o 12.632  3.4626  28.465    16.560    19.626    31.798    31.755    19.399    11.965  5.2305  13.298  4.5388  -1.333330      6.925171 
1 1 1 3   -12 0  o 339.054 6.3042  15434.96  572.479   15234.95  809.851   15634.73  809.364   336.853 8.9759  341.255 8.8547  -4.402710      12.60841 
1 1 1 3   -12 1  o 312.984 5.8848  13147.60  493.314   13006.53  698.028   13288.36  697.276   311.303 8.3715  314.665 8.2731  -3.362457      11.76966 
1 1 1 3   -12 2  o 272.587 5.1970  9967.40   379.441   9961.23   537.049   9973.56   536.173   272.502 7.3579  272.672 7.3414  -0.1695862     10.39397 
1 1 1 3   -12 3  o 251.014 4.7797  8450.15   321.345   8545.47   454.736   8355.06   454.167   252.430 6.7256  249.598 6.7934  2.831665       9.559446 
1 1 1 3   -12 4  o 244.286 4.5795  8002.45   299.629   7901.57   423.655   8103.41   423.824   242.744 6.5159  245.828 6.4367  -3.084549      9.159073 
1 1 1 3   -12 5  o 446.229 8.1949  26779.78  979.240   26102.14  1384.13   27458.83  1385.58   440.555 11.730  451.904 11.447  -11.34903      16.38973 
1 1 1 3   -12 6  o 401.495 7.3876  21660.72  794.458   21552.34  1123.23   21769.22  1123.84   400.487 10.471  402.503 10.424  -2.016083      14.77529 
1 1 1 3   -12 7  f 434.221 8.0127  25352.22  931.893   25579.61  1317.81   25124.77  1317.98   436.177 11.280  432.266 11.383  3.911041       16.02541 
1 1 1 3   -12 8  o 167.409 3.3038  3756.03   148.128   3685.70   209.176   3826.79   209.794   165.836 4.7092  168.982 4.6351  -3.146179      6.607621 
1 1 1 3   -12 9  o 211.380 4.0261  5990.50   227.932   6072.94   322.256   5907.96   322.432   212.837 5.6528  209.923 5.7344  2.914063       8.052184 
1 1 1 3   -12 10 o 99.329  2.2453  1321.88   59.732    1341.48   84.408    1302.22   84.540    100.067 3.1492  98.591  3.2013  1.475929       4.490676 
1 1 1 3   -12 11 o 199.271 3.8564  5323.42   205.831   5300.74   291.152   5346.07   291.026   198.846 5.4666  199.695 5.4409  -0.8495178     7.712795 
1 1 1 3   -12 12 o 67.648  1.8698  613.109   33.870    609.683   48.437    616.388   47.378    67.463  2.6806  67.834  2.6076  -0.3704376     3.739652 
1 1 1 3   -12 13 f 188.199 3.6662  4748.66   184.796   4709.31   262.031   4787.60   260.655   187.422 5.2197  188.976 5.1496  -1.554077      7.332337 
1 1 1 3   -12 14 o 75.916  1.9545  772.052   39.725    773.396   57.079    770.788   55.323    75.980  2.8047  75.852  2.7230  0.1275101      3.909096 
1 1 1 3   -12 15 o 432.525 8.0203  25215.07  928.995   24686.07  1314.45   25743.02  1313.14   427.962 11.467  437.088 11.216  -9.126099      16.04059 
1 1 1 3   -12 16 o 264.905 4.9865  9425.59   353.806   9400.48   501.438   9450.48   499.283   264.551 7.0765  265.259 7.0273  -0.7079163     9.972942 
1 1 1 3   -12 17 o 166.179 3.3253  3704.35   148.007   3696.34   210.151   3712.23   208.486   165.999 4.7265  166.359 4.6789  -0.3591309     6.650677 
1 1 1 3   -12 18 o 196.720 3.8540  5196.95   203.055   5133.34   287.653   5260.12   286.677   195.516 5.4929  197.924 5.4076  -2.408005      7.708033 
1 1 1 3   -12 19 o 300.796 5.6895  12205.14  458.379   12310.75  648.532   12099.72  647.959   302.105 8.0146  299.488 8.0775  2.617401       11.37899 
1 1 1 3   -12 20 o 310.708 5.8667  13049.92  488.193   12841.22  690.230   13258.84  690.589   308.200 8.3613  313.217 8.2316  -5.016663      11.73331 
1 1 1 3   -12 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -12 22 o 108.939 2.5043  1593.45   73.046    1637.75   103.081   1548.76   103.527   110.465 3.4839  107.414 3.5984  3.050735       5.008561 
1 1 1 3   -12 23 o 112.174 2.5593  1689.38   76.887    1655.31   108.257   1724.07   109.218   111.031 3.6402  113.317 3.5984  -2.286064      5.118557 
1 1 1 3   -12 24 o 103.822 2.4524  1447.38   68.192    1454.95   95.894    1439.63   96.990    104.099 3.4392  103.545 3.4971  0.5539627      4.904887 
1 1 1 3   -12 25 o 110.807 2.5644  1649.58   76.095    1667.56   106.892   1631.10   108.351   111.423 3.5816  110.190 3.6711  1.232941       5.128874 
1 1 1 3   -12 26 o 77.952  2.1972  815.789   45.861    820.157   64.141    811.219   65.599    78.168  3.0635  77.736  3.1505  0.4321365      4.394425 
1 1 1 3   -12 27 o 87.634  2.3520  1034.90   55.006    1118.34   76.989    947.891   78.615    91.267  3.1494  84.000  3.4941  7.266861       4.704002 
1 1 1 3   -12 28 o 130.214 2.8873  2281.26   100.692   2277.31   141.292   2285.34   143.533   130.104 4.0545  130.325 4.1118  -0.2207642     5.774628 
1 1 1 3   -12 29 o 47.986  2.0931  311.034   26.704    321.405   36.897    299.628   38.697    48.844  2.8324  47.128  3.0825  1.716064       4.186220 
1 1 1 3   -12 30 o 32.678  2.2961  145.024   19.772    145.388   26.983    144.602   29.055    32.740  3.1145  32.615  3.3747  0.1253204      4.592267 
1 1 1 3   -12 31 o 67.727  2.1825  617.100   39.560    614.977   54.809    619.409   57.158    67.612  3.0265  67.843  3.1455  -0.2309952     4.365053 
1 1 1 3   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -12 33 o 102.660 2.4717  1423.65   67.900    1456.67   98.620    1393.89   93.625    103.776 3.5480  101.544 3.4423  2.231308       4.943450 
1 1 1 3   -12 34 o 33.419  2.0348  149.018   17.856    178.038   27.507    127.882   23.475    36.200  2.8603  30.638  2.8949  5.562374       4.069620 
1 1 1 3   -12 35 o 66.480  2.0830  593.389   36.930    662.192   55.349    538.184   49.579    69.921  2.9554  63.040  2.9362  6.881527       4.166014 
1 1 1 3   -12 36 f 66.398  2.1101  598.012   37.348    607.581   55.795    590.243   50.272    66.836  3.1167  65.960  2.8455  0.8761597      4.220261 
1 1 1 3   -12 37 o 12.204  2.7176  11.956    10.779    39.341    18.887    -1.2730   13.127    16.548  4.2415  7.8594  3.3987  8.688498       5.435224 
1 1 1 3   -12 38 o 40.939  2.1130  225.865   22.771    259.880   35.461    201.997   29.705    43.503  3.0628  38.376  2.9116  5.126934       4.225915 
1 1 1 3   -12 39 o 45.338  2.1669  284.936   25.734    272.215   39.551    294.276   33.888    44.326  3.3562  46.350  2.7419  -2.023552      4.333797 
1 1 1 3   -12 40 o 17.522  3.0850  46.127    14.140    39.869    23.634    49.615    17.646    16.477  4.9537  18.568  3.6783  -2.091055      6.169975 
1 1 1 3   -12 41 o 33.566  2.5532  165.584   21.089    140.069   34.729    180.489   26.543    31.041  4.2919  36.092  2.7667  -5.051542      5.106357 
1 1 1 3   -12 42 o 32.469  2.4636  148.811   20.489    158.023   33.458    143.282   25.918    33.051  3.8517  31.887  3.0726  1.163565       4.927114 
1 1 1 3   -12 43 o 10.785  3.0487  11.319    12.930    9.9286    21.861    12.067    16.036    11.110  4.5687  10.460  4.0379  0.6498146      6.097378 
1 1 1 3   -12 44 o 27.329  2.7428  109.979   18.597    118.301   31.706    105.614   22.963    27.693  4.4233  26.964  3.2445  0.7284203      5.485672 
1 1 1 3   -12 45 o 15.535  3.3198  40.789    15.115    28.967    27.137    46.105    18.199    13.892  5.2799  17.178  4.0257  -3.285618      6.639547 
1 1 1 3   -12 46 o 12.303  3.1563  22.664    14.327    4.0288    25.580    31.182    17.295    10.643  4.6708  13.962  4.2465  -3.319442      6.312654 
1 1 1 3   -12 47 o 36.925  2.6884  204.012   25.024    230.589   42.926    190.329   30.799    38.073  4.2837  35.776  3.2496  2.297306       5.376777 
1 1 1 3   -12 48 o 15.906  3.3777  48.937    17.432    19.587    31.798    61.547    20.842    12.448  5.3353  19.364  4.1437  -6.916176      6.755385 
1 1 1 3   -12 49 f 17.156  3.5542  61.755    18.605    39.141    35.183    70.533    21.920    13.923  5.7676  20.389  4.1549  -6.465447      7.108317 
1 1 1 3   -11 0  o 356.684 6.6246  17081.98  632.889   17202.03  895.527   16962.20  894.554   357.938 9.3407  355.429 9.3965  2.509338       13.24927 
1 1 1 3   -11 1  o 300.571 5.6188  12121.60  452.350   12091.17  640.152   12151.94  639.288   300.194 7.9615  300.949 7.9307  -0.7556152     11.23751 
1 1 1 3   -11 2  o 816.025 15.088  90388.68  3297.55   91935.38  4665.03   88844.08  4661.85   823.093 21.160  808.957 21.515  14.13586       30.17694 
1 1 1 3   -11 3  o 350.625 6.5358  16511.50  613.495   17132.39  868.213   15892.33  867.015   357.227 9.0739  344.024 9.4091  13.20297       13.07160 
1 1 1 3   -11 4  o 218.655 4.1735  6409.80   244.421   6465.53   345.606   6354.03   345.721   219.607 5.8755  217.703 5.9289  1.904022       8.347060 
1 1 1 3   -11 5  o 146.649 2.9431  2882.91   115.507   2738.92   163.022   3028.07   163.685   142.969 4.2571  150.329 4.0651  -7.360886      5.886296 
1 1 1 3   -11 6  o 363.371 6.7030  17732.00  652.387   17792.47  922.439   17671.49  922.791   363.993 9.4614  362.750 9.4975  1.243317       13.40597 
1 1 1 3   -11 7  o 232.568 4.3946  7252.30   273.751   7251.29   386.917   7253.32   387.369   232.552 6.2117  232.584 6.2181  -0.3228760E-01 8.789158 
1 1 1 3   -11 8  o 109.262 2.3573  1599.52   68.981    1623.11   97.420    1575.80   97.688    110.071 3.3044  108.454 3.3629  1.616745       4.714625 
1 1 1 3   -11 9  f 438.414 8.0424  25844.46  944.393   26028.39  1335.64   25660.57  1335.50   439.980 11.334  436.848 11.414  3.132111       16.08489 
1 1 1 3   -11 10 o 326.046 5.9983  14271.46  523.683   14686.18  741.042   13857.74  740.159   330.789 8.3638  321.304 8.6004  9.485382       11.99668 
1 1 1 3   -11 11 o 456.825 8.4003  28074.21  1027.85   28227.38  1454.13   27921.27  1453.07   458.075 11.852  455.575 11.908  2.500214       16.80061 
1 1 1 3   -11 12 o 265.408 5.0021  9449.28   355.575   9575.52   503.694   9323.88   502.028   267.177 7.0385  263.638 7.1094  3.538391       10.00416 
1 1 1 3   -11 13 o 97.622  2.2364  1275.98   58.431    1349.21   83.673    1206.28   81.632    100.355 3.1128  94.889  3.2118  5.465668       4.472775 
1 1 1 3   -11 14 o 99.972  2.3106  1339.81   61.833    1308.81   88.346    1369.58   86.571    98.837  3.3372  101.107 3.1967  -2.270088      4.621215 
1 1 1 3   -11 15 o 175.365 3.4851  4123.54   163.668   4052.05   232.341   4193.97   230.592   173.854 4.9894  176.877 4.8673  -3.022751      6.970280 
1 1 1 3   -11 16 o 324.565 6.0599  14157.37  526.797   14286.23  745.814   14029.07  744.195   326.043 8.5402  323.087 8.5996  2.955627       12.11972 
1 1 1 3   -11 17 f 168.945 3.3839  3827.62   153.124   3830.05   216.861   3825.20   216.241   168.998 4.7908  168.891 4.7802  0.1065979      6.767710 
1 1 1 3   -11 18 o 77.358  2.0477  802.080   42.419    782.900   60.033    821.206   59.947    76.434  2.9323  78.283  2.8590  -1.848808      4.095409 
1 1 1 3   -11 19 o 128.244 2.7593  2206.04   94.768    2251.51   133.958   2160.49   134.086   129.569 3.8599  126.919 3.9443  2.650032       5.518698 
1 1 1 3   -11 20 o 134.176 2.8683  2415.75   103.077   2384.64   145.448   2447.13   146.100   133.307 4.0735  135.045 4.0391  -1.737595      5.736507 
1 1 1 3   -11 21 o 204.177 5.0265  5703.75   257.399   5862.25   315.638   5389.07   444.733   208.743 5.6453  199.611 8.3181  9.132431       10.05290 
1 1 1 3   -11 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -11 23 o 116.336 2.6173  1817.18   81.551    1814.62   114.647   1819.80   116.024   116.255 3.6818  116.418 3.7208  -0.1624680     5.234552 
1 1 1 3   -11 24 o 105.396 2.4727  1491.63   69.789    1503.91   97.937    1478.96   99.475    105.840 3.4547  104.952 3.5386  0.8881302      4.945379 
1 1 1 3   -11 25 o 64.273  2.0271  554.334   34.874    556.632   48.499    551.874   50.183    64.413  2.8111  64.133  2.9214  0.2803726      4.054221 
1 1 1 3   -11 26 f 101.431 2.4723  1382.12   67.147    1397.27   94.137    1366.42   95.805    102.001 3.4456  100.860 3.5463  1.140846       4.944548 
1 1 1 3   -11 27 f 179.573 3.6771  4346.99   176.855   4287.58   248.878   4407.60   251.362   178.331 5.2104  180.815 5.1901  -2.483521      7.354271 
1 1 1 3   -11 28 o 29.132  2.3483  114.634   17.913    101.966   24.263    129.811   26.559    27.344  3.3851  30.920  3.2558  -3.575333      4.696691 
1 1 1 3   -11 29 o 95.867  2.4426  1235.58   62.697    1245.20   87.675    1225.52   89.694    96.255  3.4007  95.480  3.5072  0.7745132      4.885176 
1 1 1 3   -11 30 o 130.457 2.8558  2292.72   99.755    2303.52   143.141   2282.52   139.096   130.746 4.0874  130.168 3.9895  0.5784760      5.711669 
1 1 1 3   -11 31 o 71.271  2.1166  684.838   40.263    659.178   58.791    707.504   55.256    69.996  3.1358  72.546  2.8437  -2.549988      4.233137 
1 1 1 3   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -11 33 o 90.923  2.3503  1118.41   57.057    1089.10   83.437    1144.15   78.200    89.768  3.4701  92.078  3.1707  -2.309937      4.700554 
1 1 1 3   -11 34 o 43.723  2.0339  260.723   23.431    247.366   35.264    271.281   31.353    42.666  3.1071  44.780  2.6255  -2.114586      4.067834 
1 1 1 3   -11 35 o 63.948  2.0837  552.010   35.514    569.723   53.267    537.836   47.650    64.840  3.0671  63.056  2.8213  1.783760       4.167348 
1 1 1 3   -11 36 o 41.293  2.0634  232.956   22.298    229.909   34.670    235.106   29.118    40.992  3.1827  41.595  2.6271  -0.6027718     4.126876 
1 1 1 3   -11 37 o 46.753  2.0575  295.704   25.373    317.023   39.295    280.458   33.229    48.142  3.0633  45.364  2.7477  2.777855       4.115035 
1 1 1 3   -11 38 o 9.7509  2.6693  4.0900    10.176    18.896    16.941    -4.2674   12.727    12.195  4.2379  7.3065  3.2466  4.888796       5.338525 
1 1 1 3   -11 39 o 25.322  2.5298  85.306    16.148    121.916   26.346    63.276    20.436    29.567  3.3878  21.076  3.7579  8.490936       5.059600 
1 1 1 3   -11 40 o 50.872  2.1566  349.517   28.902    416.243   45.247    303.527   37.565    54.872  3.0912  46.872  3.0080  7.999584       4.313194 
1 1 1 3   -11 41 o 9.5307  2.7873  5.1341    11.501    -7.4481   21.120    10.438    13.713    9.1698  4.1206  9.8916  3.7547  -0.7218418     5.574690 
1 1 1 3   -11 42 o 9.3557  2.7946  3.0324    12.105    -12.4325  22.095    9.6649    14.470    8.8762  4.0756  9.8352  3.8248  -0.9589777     5.589254 
1 1 1 3   -11 43 o 13.589  3.3189  24.446    14.200    36.618    24.225    18.075    17.528    15.432  5.0689  11.746  4.2856  3.685843       6.637772 
1 1 1 3   -11 44 o 18.291  3.4064  52.990    16.175    55.484    28.644    51.822    19.599    18.232  5.4472  18.351  4.0918  -0.1180859     6.812797 
1 1 1 3   -11 45 o 14.414  3.3794  33.962    15.515    23.142    26.451    39.637    19.156    13.078  5.1465  15.750  4.3813  -2.671176      6.758804 
1 1 1 3   -11 46 o 17.198  3.5602  47.200    16.506    61.162    29.534    40.857    19.905    18.581  5.5265  15.814  4.4899  2.766960       7.120497 
1 1 1 3   -11 47 f 31.129  2.9734  149.213   22.839    167.169   39.749    140.363   27.906    31.770  4.8227  30.489  3.4795  1.281536       5.946868 
1 1 1 3   -11 48 o 19.884  3.7298  65.462    19.041    96.853    34.713    51.951    22.774    22.569  5.7315  17.198  4.7745  5.371279       7.459658 
1 1 1 3   -11 49 o 16.619  3.6337  57.687    18.724    40.375    35.319    64.455    22.083    14.032  5.7928  19.206  4.3885  -5.174574      7.267488 
1 1 1 3   -10 0  o 147.130 3.0479  2902.61   120.009   2766.06   169.904   3038.57   169.534   143.673 4.4151  150.588 4.2032  -6.915146      6.095867 
1 1 1 3   -10 1  o 474.873 8.7283  30340.44  1110.18   30372.89  1570.50   30308.03  1569.57   475.127 12.341  474.618 12.347  0.5086060      17.45656 
1 1 1 3   -10 2  o 644.785 11.837  56174.68  2043.42   58112.70  2891.61   54241.45  2888.04   655.989 16.457  633.581 17.018  22.40857       23.67394 
1 1 1 3   -10 3  o 438.987 8.0605  25914.96  947.671   26350.75  1340.58   25479.65  1339.84   442.690 11.306  435.283 11.492  7.407471       16.12099 
1 1 1 3   -10 4  o 182.560 3.5311  4467.02   172.662   4493.38   244.061   4440.62   244.301   183.099 4.9765  182.020 5.0109  1.078995       7.062203 
1 1 1 3   -10 5  o 244.796 4.6062  8036.99   301.968   7858.39   426.720   8216.14   427.376   242.068 6.5814  247.524 6.4462  -5.455719      9.212365 
1 1 1 3   -10 6  o 555.273 10.181  41566.14  1514.14   41925.54  2141.39   41206.79  2141.24   557.689 14.336  552.856 14.460  4.832336       20.36166 
1 1 1 3   -10 7  o 271.935 5.0784  9919.92   369.893   9980.93   522.984   9858.85   523.231   272.773 7.1581  271.097 7.2058  1.676208       10.15684 
1 1 1 3   -10 8  o 465.930 8.5977  29212.64  1072.83   29765.82  1517.58   28659.98  1516.86   470.360 12.046  461.500 12.271  8.859894       17.19531 
1 1 1 3   -10 9  o 470.940 8.6602  29845.03  1092.29   30323.23  1545.20   29367.40  1544.27   474.728 12.152  467.151 12.342  7.576080       17.32030 
1 1 1 3   -10 10 o 573.951 10.602  44434.14  1629.57   45371.02  2305.63   43498.98  2303.50   580.038 14.840  567.864 15.144  12.17352       21.20357 
1 1 1 3   -10 11 o 80.769  1.9815  873.645   42.860    887.409   61.305    860.485   59.945    81.391  2.8121  80.147  2.7924  1.244102       3.962973 
1 1 1 3   -10 12 o 64.657  1.8282  560.530   31.622    547.182   45.532    572.965   43.949    63.913  2.6598  65.402  2.5088  -1.489243      3.656311 
1 1 1 3   -10 13 f 397.199 7.3613  21208.06  782.907   20597.83  1107.71   21817.16  1106.69   391.468 10.564  402.930 10.254  -11.46237      14.72261 
1 1 1 3   -10 14 o 197.657 3.8468  5237.28   203.652   5300.61   288.885   5174.71   287.138   198.845 5.4240  196.469 5.4564  2.376846       7.693671 
1 1 1 3   -10 15 o 149.102 3.0480  2979.30   121.721   3024.65   172.578   2934.41   171.705   150.231 4.2888  147.972 4.3323  2.259064       6.096091 
1 1 1 3   -10 16 o 386.535 7.1658  20095.46  741.865   20290.15  1049.43   19900.97  1048.88   388.414 10.087  384.656 10.180  3.758118       14.33150 
1 1 1 3   -10 17 o 199.765 3.9070  5352.73   209.029   5253.96   295.387   5451.80   295.837   197.916 5.5721  201.613 5.4783  -3.696930      7.814095 
1 1 1 3   -10 18 o 216.091 4.1803  6267.62   241.923   6145.26   341.744   6390.54   342.517   213.973 5.9629  218.209 5.8603  -4.236679      8.360553 
1 1 1 3   -10 19 o 287.765 5.4214  11142.97  417.860   11061.10  590.389   11225.16  591.499   286.703 7.6881  288.828 7.6458  -2.125916      10.84276 
1 1 1 3   -10 20 o 132.193 2.8344  2344.19   100.356   2331.84   141.339   2356.75   142.520   131.842 4.0024  132.544 4.0144  -0.7017670     5.668759 
1 1 1 3   -10 21 o 42.923  1.8422  247.938   21.071    250.564   29.473    245.192   30.136    43.160  2.5609  42.686  2.6488  0.4734917      3.684389 
1 1 1 3   -10 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -10 23 o 78.823  2.1292  833.316   44.945    827.820   62.884    839.055   64.262    78.558  2.9885  79.087  3.0336  -0.5293350     4.258422 
1 1 1 3   -10 24 o 143.054 3.0227  2750.45   115.816   2727.94   162.921   2773.44   164.672   142.463 4.2696  143.645 4.2800  -1.181747      6.045451 
1 1 1 3   -10 25 o 67.500  2.0640  611.068   37.309    598.054   52.130    624.733   53.419    66.764  2.9151  68.237  2.9227  -1.472610      4.127970 
1 1 1 3   -10 26 o 42.194  2.0258  239.632   22.742    228.477   31.510    251.760   32.856    41.165  2.8759  43.223  2.8541  -2.058319      4.051691 
1 1 1 3   -10 27 o 69.741  2.1801  652.248   40.677    609.166   56.646    698.115   58.448    67.363  3.1395  72.120  3.0257  -4.756699      4.360210 
1 1 1 3   -10 28 o 132.476 2.8316  2358.22   100.330   2541.09   144.049   2185.92   139.821   137.473 3.9121  127.479 4.0949  9.993034       5.663260 
1 1 1 3   -10 29 o 99.642  2.4051  1331.62   64.122    1416.04   92.909    1254.83   88.608    102.654 3.3790  96.630  3.4235  6.024017       4.810249 
1 1 1 3   -10 30 f 31.636  2.1748  137.501   17.836    125.097   27.216    146.839   23.613    30.311  3.4115  32.960  2.6983  -2.649313      4.349622 
1 1 1 3   -10 31 o 98.335  2.4101  1300.49   63.420    1331.08   92.112    1272.92   87.448    99.426  3.4588  97.244  3.3573  2.181175       4.820296 
1 1 1 3   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -10 33 o 43.808  1.9905  254.970   22.977    313.114   35.031    211.065   30.440    48.144  2.7277  39.472  2.8995  8.672585       3.980909 
1 1 1 3   -10 34 o 65.456  2.0883  577.424   36.447    590.711   54.456    566.644   49.053    66.114  3.0751  64.799  2.8263  1.315514       4.176625 
1 1 1 3   -10 35 o 22.664  2.4423  71.455    13.961    70.656    22.428    71.960    17.839    22.461  3.8675  22.868  2.9835  -0.4068546     4.884576 
1 1 1 3   -10 36 o 23.093  2.4144  72.632    14.218    82.111    22.863    66.655    18.155    24.265  3.6292  21.921  3.1852  2.344276       4.828729 
1 1 1 3   -10 37 o 17.704  2.7267  42.442    12.341    56.952    20.207    33.809    15.586    20.021  3.9083  15.388  3.8033  4.633589       5.453461 
1 1 1 3   -10 38 o 83.380  2.3388  949.208   52.013    991.164   77.819    915.329   69.929    84.974  3.4191  81.786  3.1922  3.187355       4.677614 
1 1 1 3   -10 39 o 11.431  3.0053  13.809    11.646    18.632    20.529    11.520    14.141    12.589  4.6312  10.273  3.8313  2.316274       6.010592 
1 1 1 3   -10 40 o 48.331  2.2072  319.276   27.947    345.311   44.364    302.147   35.985    49.835  3.3430  46.826  2.8831  3.008389       4.414458 
1 1 1 3   -10 41 o 30.478  2.4647  128.483   19.153    143.775   31.843    119.814   23.974    31.717  3.8255  29.240  3.1088  2.477692       4.929424 
1 1 1 3   -10 42 o 18.926  3.2306  57.518    15.920    42.104    27.423    65.354    19.553    16.612  5.3900  21.240  3.5631  -4.628033      6.461240 
1 1 1 3   -10 43 o 35.277  2.5443  181.310   22.641    175.681   37.349    184.581   28.468    34.421  4.1337  36.133  2.9677  -1.711674      5.088673 
1 1 1 3   -10 44 o 10.688  3.0705  11.075    13.094    5.8204    24.313    13.223    15.541    10.884  4.6650  10.493  3.9938  0.3907919      6.141058 
1 1 1 3   -10 45 o 14.780  3.4055  29.594    14.272    52.387    27.479    21.175    16.701    17.538  5.3570  12.023  4.2061  5.515254       6.810912 
1 1 1 3   -10 46 o 17.466  3.5137  52.496    17.052    46.191    29.130    55.783    21.032    16.265  5.5618  18.668  4.2955  -2.403437      7.027445 
1 1 1 3   -10 47 o 12.971  5.3366  22.785    29.844    22.785    29.844    0.0000    0.0000    12.971  5.3366  ?       ?       ?              ?        
1 1 1 3   -10 48 o 30.918  3.4916  168.366   24.955    149.579   44.296    177.102   30.205    27.727  6.1276  34.109  3.3493  -6.382214      6.983204 
1 1 1 3   -10 49 o 16.026  3.8773  44.074    18.081    80.794    35.895    31.588    20.930    18.883  6.1686  13.168  4.6991  5.714941       7.754521 
1 1 1 3   -9  0  o 329.582 6.1390  14585.33  541.750   14136.60  766.116   15034.14  766.185   324.499 8.8144  334.666 8.5474  -10.16711      12.27809 
1 1 1 3   -9  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  9  o 174.641 3.4163  4087.68   159.804   4120.38   226.404   4055.22   225.591   175.337 4.8208  173.945 4.8420  1.392578       6.832645 
1 1 1 3   -9  10 o 476.863 8.8065  30609.34  1124.64   31289.73  1591.73   29931.09  1589.22   482.180 12.325  471.547 12.583  10.63327       17.61298 
1 1 1 3   -9  11 o 497.190 9.1547  33286.63  1218.96   32634.18  1724.33   33938.39  1723.43   492.292 13.077  502.087 12.815  -9.794891      18.30947 
1 1 1 3   -9  12 o 229.078 4.3804  7037.95   268.709   6878.28   380.766   7196.36   379.262   226.485 6.2767  231.670 6.1120  -5.185104      8.760855 
1 1 1 3   -9  13 f 268.985 5.0691  9705.47   365.215   9741.43   517.101   9669.67   515.885   269.482 7.1640  268.487 7.1736  0.9948730      10.13826 
1 1 1 3   -9  14 o 132.182 2.7867  2341.10   98.660    2351.12   139.767   2331.15   139.288   132.464 3.9393  131.900 3.9426  0.5639648      5.573307 
1 1 1 3   -9  15 o 465.413 8.5673  29155.98  1068.00   29201.98  1510.31   29109.98  1510.46   465.782 12.106  465.044 12.126  0.7382202      17.13468 
1 1 1 3   -9  16 o 403.239 7.4677  21868.82  806.545   22026.85  1140.48   21710.72  1140.77   404.702 10.521  401.775 10.601  2.927307       14.93539 
1 1 1 3   -9  17 o 336.154 6.2757  15185.67  565.047   15118.34  798.547   15253.18  799.650   335.406 8.8888  336.902 8.8615  -1.495941      12.55135 
1 1 1 3   -9  18 o 320.626 6.0214  13822.22  517.064   13585.76  730.446   14059.72  732.034   317.868 8.5793  323.384 8.4513  -5.516144      12.04281 
1 1 1 3   -9  19 o 144.831 3.0192  2812.68   117.115   2764.03   164.967   2862.12   166.293   143.568 4.2899  146.095 4.2496  -2.527100      6.038465 
1 1 1 3   -9  20 o 124.780 2.7177  2087.90   90.804    2019.56   127.690   2157.82   129.156   122.713 3.8849  126.848 3.8014  -4.134537      5.435328 
1 1 1 3   -9  21 o 111.926 2.5467  1680.30   76.299    1599.94   107.192   1762.82   108.628   109.211 3.6644  114.642 3.5376  -5.430870      5.093396 
1 1 1 3   -9  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  23 o 199.071 3.9416  5336.28   210.151   5393.67   296.527   5278.37   297.874   200.154 5.5311  197.987 5.6170  2.167328       7.883147 
1 1 1 3   -9  24 f 113.984 2.6129  1744.79   79.762    1760.14   112.163   1729.09   113.449   114.494 3.6574  113.474 3.7326  1.020584       5.225847 
1 1 1 3   -9  25 o 240.283 4.6682  7804.49   300.396   7936.24   424.094   7671.83   425.559   242.341 6.5335  238.225 6.6693  4.115829       9.336329 
1 1 1 3   -9  26 o 168.541 3.4475  3826.95   155.540   3723.42   221.645   3927.40   218.328   166.275 4.9767  170.807 4.7721  -4.532120      6.894980 
1 1 1 3   -9  27 o 185.117 3.7038  4618.39   183.630   4698.97   261.738   4540.28   257.693   186.708 5.2338  183.526 5.2422  3.181641       7.407667 
1 1 1 3   -9  28 o 48.454  1.9806  315.160   25.513    327.346   37.897    305.058   34.504    49.303  2.8823  47.605  2.7173  1.698750       3.961185 
1 1 1 3   -9  29 o 114.685 2.5780  1765.10   78.980    1953.18   114.163   1592.45   109.380   120.547 3.5358  108.822 3.7526  11.72410       5.155908 
1 1 1 3   -9  30 o 156.518 3.2475  3303.36   136.111   3383.13   195.141   3227.78   189.944   158.355 4.6007  154.681 4.5846  3.674484       6.495008 
1 1 1 3   -9  31 o 139.712 3.0258  2636.56   113.140   2603.80   162.693   2667.24   157.445   138.846 4.3747  140.579 4.1814  -1.732483      6.051608 
1 1 1 3   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  33 o 26.527  2.3010  95.726    15.811    100.323   24.553    92.469    20.666    27.035  3.4709  26.018  3.0217  1.016718       4.601926 
1 1 1 3   -9  34 o 61.944  2.0680  516.634   34.140    532.019   51.202    504.319   45.810    62.751  3.0463  61.138  2.7975  1.613403       4.135917 
1 1 1 3   -9  35 o 55.404  2.0679  415.698   30.357    418.856   46.078    413.276   40.353    55.510  3.1116  55.298  2.7244  0.2117386      4.135752 
1 1 1 3   -9  36 o 53.152  2.0862  385.677   29.255    373.011   44.557    395.273   38.785    52.273  3.1978  54.030  2.6800  -1.757137      4.172337 
1 1 1 3   -9  37 o 22.049  2.5296  66.062    14.159    79.722    22.899    57.606    18.016    23.840  3.7065  20.257  3.4436  3.582655       5.059298 
1 1 1 3   -9  38 o 19.882  2.8666  64.762    14.336    30.577    23.783    84.275    17.968    15.024  5.0260  24.740  2.7585  -9.715681      5.733233 
1 1 1 3   -9  39 o 8.6145  2.6237  -0.1734   10.331    0.6571    18.220    -0.5669   12.542    9.4738  4.0490  7.7552  3.3379  1.718644       5.247450 
1 1 1 3   -9  40 o 21.761  4.8347  70.238    27.448    70.238    27.448    0.0000    0.0000    21.761  4.8347  ?       ?       ?              ?        
1 1 1 3   -9  41 o 9.9712  2.8502  6.2354    11.130    13.048    19.696    3.0391    13.491    11.415  4.4560  8.5272  3.5551  2.887978       5.700384 
1 1 1 3   -9  42 o 14.405  2.9624  32.296    14.538    -3.2089   25.328    49.742    17.754    10.406  4.6038  18.404  3.7293  -7.998772      5.924723 
1 1 1 3   -9  43 o 23.064  2.9628  75.693    17.100    99.569    28.896    62.826    21.213    25.666  4.3592  20.463  4.0136  5.202637       5.925539 
1 1 1 3   -9  44 o 10.416  3.0472  8.9285    13.359    4.8046    23.556    10.884    16.219    10.641  4.5773  10.191  4.0237  0.4505663      6.094418 
1 1 1 3   -9  45 o 10.197  3.0242  0.3645    12.895    24.162    24.812    -8.4421   15.094    13.103  5.0322  7.2912  3.3555  5.812245       6.048355 
1 1 1 3   -9  46 o 7.0977  2.3786  -15.7569  11.980    -48.0331  24.022    -5.0716   13.822    6.9241  3.4321  7.2712  3.2942  -0.3470955     4.757199 
1 1 1 3   -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -9  48 o 19.233  3.6817  70.971    19.234    59.210    35.458    75.875    22.895    16.905  6.1065  21.560  4.1148  -4.655043      7.363448 
1 1 1 3   -8  0  o 319.267 5.9655  13686.80  509.917   13216.14  721.023   14157.75  721.240   313.761 8.5795  324.772 8.2911  -11.01077      11.93104 
1 1 1 3   -8  1  o 248.937 4.7320  8313.57   315.404   8060.13   446.170   8566.72   445.927   245.138 6.7952  252.735 6.5873  -7.597794      9.464004 
1 1 1 3   -8  2  o 132.826 2.7716  2364.02   98.604    2383.34   139.539   2344.74   139.357   133.368 3.9062  132.283 3.9331  1.085037       5.543247 
1 1 1 3   -8  3  o 46.709  1.5333  292.221   19.181    285.320   27.011    299.241   27.242    46.153  2.1850  47.266  2.1518  -1.112667      3.066636 
1 1 1 3   -8  4  o 261.143 4.9089  9149.18   343.287   8921.67   485.131   9377.35   485.833   257.886 7.0233  264.400 6.8602  -6.514038      9.817816 
1 1 1 3   -8  5  o 77.693  1.8602  808.769   38.701    826.677   54.616    790.709   54.847    78.558  2.5956  76.829  2.6652  1.728485       3.720328 
1 1 1 3   -8  6  o 149.704 2.9818  3003.36   119.558   3039.47   169.032   2967.21   169.129   150.605 4.1903  148.803 4.2434  1.802185       5.963637 
1 1 1 3   -8  7  o 110.776 2.3335  1644.41   69.208    1702.88   98.002    1586.25   97.747    112.742 3.2453  108.811 3.3538  3.930595       4.666965 
1 1 1 3   -8  8  o 225.709 4.2909  6831.73   259.360   6993.40   367.281   6670.93   366.303   228.375 6.0043  223.042 6.1315  5.333282       8.581738 
1 1 1 3   -8  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -8  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -8  11 o 517.915 9.5607  36148.07  1325.67   34879.04  1874.59   37417.64  1874.98   508.765 13.756  527.064 13.281  -18.29926      19.12146 
1 1 1 3   -8  12 o 380.904 7.0402  19492.87  718.258   19368.60  1016.06   19616.99  1015.48   379.686 9.9909  382.122 9.9216  -2.435303      14.08034 
1 1 1 3   -8  13 o 48.144  1.7116  311.104   22.003    293.781   31.085    328.497   31.148    46.765  2.4906  49.522  2.3483  -2.756763      3.423109 
1 1 1 3   -8  14 o 185.142 3.6614  4594.58   181.566   4620.25   256.524   4568.82   257.023   185.661 5.1585  184.623 5.1975  1.037369       7.322839 
1 1 1 3   -8  15 o 129.312 2.7641  2240.49   95.735    2228.78   134.983   2252.34   135.802   128.972 3.9075  129.652 3.9106  -0.6796722     5.528171 
1 1 1 3   -8  16 o 338.543 6.3056  15393.43  571.721   15129.69  807.762   15658.18  809.313   335.629 8.9853  341.456 8.8490  -5.826447      12.61113 
1 1 1 3   -8  17 o 156.422 3.1980  3279.61   133.984   3284.61   188.922   3274.55   190.047   156.543 4.5057  156.302 4.5395  0.2409973      6.395945 
1 1 1 3   -8  18 o 241.618 4.6349  7835.34   299.944   7907.51   423.711   7762.85   424.660   242.736 6.5170  240.500 6.5923  2.236313       9.269814 
1 1 1 3   -8  19 o 49.883  1.8600  334.270   24.758    332.237   34.581    336.408   35.462    49.728  2.6053  50.037  2.6554  -0.3088799     3.720037 
1 1 1 3   -8  20 o 68.694  2.0114  633.617   36.936    671.292   51.821    594.715   52.658    70.776  2.7336  66.613  2.9513  4.162605       4.022798 
1 1 1 3   -8  21 o 275.955 5.2626  10263.70  388.964   10347.97  549.559   10179.11  550.599   277.099 7.4044  274.811 7.4802  2.287781       10.52514 
1 1 1 3   -8  22 o 126.195 5.5173  2142.01   186.490   2142.01   186.490   0.0000    0.0000    126.195 5.5173  ?       ?       ?              ?        
1 1 1 3   -8  23 o 97.827  2.3786  1284.61   62.302    1315.17   87.660    1253.42   88.563    99.006  3.3056  96.647  3.4212  2.358597       4.757256 
1 1 1 3   -8  24 o 174.766 3.5673  4115.82   166.729   3882.56   237.041   4344.22   234.559   169.831 5.2110  179.702 4.8732  -9.871078      7.134548 
1 1 1 3   -8  25 o 57.875  1.9209  450.314   29.675    434.930   43.372    463.854   40.689    56.940  2.8438  58.811  2.5830  -1.871479      3.841786 
1 1 1 3   -8  26 o 65.630  2.0124  579.387   35.253    556.867   51.445    599.324   48.404    64.419  2.9815  66.842  2.7036  -2.422394      4.024801 
1 1 1 3   -8  27 f 63.172  2.0465  533.167   34.008    673.799   50.251    414.325   46.194    70.873  2.6471  55.470  3.1218  15.40224       4.093001 
1 1 1 3   -8  28 o 84.715  2.2731  968.891   51.294    889.390   74.426    1040.82   70.791    81.373  3.4147  88.057  3.0014  -6.684441      4.546277 
1 1 1 3   -8  29 o 52.890  1.9846  375.822   27.898    384.017   41.575    369.109   37.628    53.404  2.9176  52.375  2.6913  1.028465       3.969269 
1 1 1 3   -8  30 o 100.940 2.5307  1380.13   67.939    1234.65   98.225    1513.56   94.071    95.773  3.8290  106.108 3.3099  -10.33511      5.061335 
1 1 1 3   -8  31 o 102.932 2.4812  1425.46   68.333    1451.59   99.337    1402.00   94.147    103.817 3.5724  102.048 3.4444  1.768570       4.962432 
1 1 1 3   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -8  33 o 95.027  2.4155  1219.08   61.354    1229.91   89.857    1209.62   83.977    95.398  3.5166  94.656  3.3123  0.7416611      4.830901 
1 1 1 3   -8  34 o 51.332  2.1012  362.418   28.218    320.132   42.758    395.042   37.557    48.527  3.3094  54.137  2.5901  -5.609787      4.202413 
1 1 1 3   -8  35 o 84.002  2.3226  958.725   52.017    946.187   77.061    969.219   70.502    83.440  3.4480  84.563  3.1126  -1.123451      4.645151 
1 1 1 3   -8  36 o 19.474  2.8061  59.174    13.728    34.378    22.290    74.328    17.425    15.704  4.8293  23.244  2.8591  -7.539746      5.612226 
1 1 1 3   -8  37 o 13.288  2.9996  22.055    11.881    33.042    19.604    15.677    14.936    15.276  4.4922  11.300  3.9762  3.976282       5.999181 
1 1 1 3   -8  38 o 27.971  2.6250  115.219   17.896    88.516    28.522    132.558   22.983    24.857  4.4472  31.085  2.7902  -6.227497      5.249990 
1 1 1 3   -8  39 o 34.776  2.2724  166.617   20.461    171.783   32.690    163.291   26.236    35.105  3.5243  34.447  2.8696  0.6575470      4.544775 
1 1 1 3   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -8  41 o 18.510  3.1087  55.860    15.319    31.716    26.057    68.613    18.938    15.059  5.2546  21.961  3.3234  -6.901677      6.217415 
1 1 1 3   -8  42 o 32.448  2.9808  167.050   22.435    115.964   37.114    196.464   28.162    27.388  5.2504  37.509  2.8238  -10.12115      5.961640 
1 1 1 3   -8  43 o 21.065  3.2419  71.003    16.840    60.673    29.734    75.881    20.433    19.303  5.4901  22.827  3.4495  -3.524763      6.483806 
1 1 1 3   -8  44 o 38.575  2.5330  216.274   24.745    225.620   41.597    211.155   30.785    38.735  4.0702  38.415  3.0162  0.3199425      5.065940 
1 1 1 3   -8  45 o 14.144  3.3129  19.321    14.572    61.798    28.324    4.0318    16.993    19.057  5.3368  9.2316  3.9269  9.825424       6.625873 
1 1 1 3   -8  46 o 20.377  3.5095  62.259    17.645    91.797    33.197    50.628    20.832    23.050  5.4608  17.703  4.4097  5.346676       7.018909 
1 1 1 3   -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -8  48 f 10.646  3.2417  10.758    15.220    6.7243    31.116    12.027    17.449    11.172  5.0123  10.119  4.1123  1.053157       6.483360 
1 1 1 3   -7  0  o 161.257 3.2439  3485.33   140.102   3439.93   198.314   3530.57   197.956   160.208 4.6215  162.306 4.5535  -2.098648      6.487870 
1 1 1 3   -7  1  o 348.696 6.5305  16337.30  609.707   15823.23  862.163   16851.59  862.348   343.191 9.3792  354.201 9.0896  -11.01022      13.06098 
1 1 1 3   -7  2  o 98.912  2.2196  1310.87   58.795    1339.72   83.164    1282.03   83.133    100.000 3.1049  97.823  3.1728  2.177467       4.439277 
1 1 1 3   -7  3  f 277.091 5.1905  10303.97  385.163   10070.88  544.361   10537.64  545.045   273.946 7.4188  280.235 7.2614  -6.288452      10.38107 
1 1 1 3   -7  4  o 37.560  1.4129  189.482   14.161    185.714   19.930    193.324   20.126    37.181  2.0087  37.939  1.9874  -0.7576332     2.825722 
1 1 1 3   -7  5  o 225.224 4.2631  6802.48   257.171   6833.17   363.578   6771.75   363.811   225.733 6.0133  224.715 6.0444  1.018356       8.526124 
1 1 1 3   -7  6  o 210.399 4.0210  5936.12   226.565   5804.77   320.375   6067.54   320.447   208.068 5.7486  212.730 5.6239  -4.662842      8.042088 
1 1 1 3   -7  7  o 268.681 5.0583  9685.36   364.024   9742.88   515.211   9628.03   514.404   269.478 7.1379  267.883 7.1692  1.595123       10.11669 
1 1 1 3   -7  8  f 203.003 3.9076  5528.21   212.311   5291.65   300.798   5763.06   299.710   198.668 5.6527  207.338 5.3968  -8.670532      7.815282 
1 1 1 3   -7  9  o 152.361 3.0580  3110.71   124.792   3143.80   177.203   3078.14   175.771   153.165 4.3194  151.557 4.3299  1.608353       6.116005 
1 1 1 3   -7  10 o 467.014 17.293  29503.94  2163.18   29503.94  2163.18   0.0000    0.0000    467.014 17.293  ?       ?       ?              ?        
1 1 1 3   -7  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -7  12 o 420.728 7.7547  23800.04  873.804   23411.92  1235.22   24188.81  1236.27   417.281 11.052  424.174 10.881  -6.892548      15.50940 
1 1 1 3   -7  13 o 511.949 9.4530  35304.12  1296.06   35992.41  1833.03   34616.02  1832.79   516.968 13.238  506.931 13.498  10.03711       18.90607 
1 1 1 3   -7  14 o 616.169 11.356  51262.08  1873.93   50305.83  2648.94   52220.05  2651.34   610.372 16.203  621.966 15.915  -11.59406      22.71168 
1 1 1 3   -7  15 o 477.367 8.8070  30671.45  1126.04   30364.84  1591.77   30978.60  1593.16   474.968 12.512  479.766 12.398  -4.798035      17.61399 
1 1 1 3   -7  16 o 491.917 9.0759  32593.68  1195.64   31903.59  1689.91   33285.37  1691.87   486.675 12.964  497.159 12.705  -10.48392      18.15178 
1 1 1 3   -7  17 o 183.963 3.6492  4536.99   179.810   4531.83   253.847   4542.17   254.734   183.859 5.1546  184.068 5.1668  -0.2091675     7.298348 
1 1 1 3   -7  18 o 545.459 10.088  40222.70  1473.80   40397.72  2083.92   40047.56  2084.61   546.658 14.232  544.260 14.300  2.398376       20.17532 
1 1 1 3   -7  19 o 190.784 3.7848  4883.44   193.397   4927.30   273.053   4839.28   273.958   191.646 5.3193  189.923 5.3854  1.723541       7.569549 
1 1 1 3   -7  20 o 18.151  2.3076  46.549    10.631    60.529    14.966    32.310    15.104    21.079  2.7138  15.222  3.7330  5.857127       4.615191 
1 1 1 3   -7  21 o 301.692 5.6967  12278.21  460.198   12660.77  652.334   11899.18  649.313   306.400 7.9486  296.985 8.1626  9.414581       11.39339 
1 1 1 3   -7  22 o 57.410  2.7576  445.332   41.979    399.617   59.216    491.521   59.521    54.409  4.0933  60.412  3.6962  -6.002937      5.515148 
1 1 1 3   -7  23 o 21.883  2.3617  62.728    12.573    74.223    22.778    57.692    15.078    23.215  3.7944  20.551  2.8130  2.663509       4.723358 
1 1 1 3   -7  24 o 146.059 3.0620  2866.36   119.775   2912.44   171.072   2822.05   167.753   147.210 4.3386  144.909 4.3220  2.300461       6.123999 
1 1 1 3   -7  25 o 44.743  1.8934  270.210   22.490    260.165   32.986    278.936   30.745    43.950  2.8169  45.537  2.5307  -1.587818      3.786732 
1 1 1 3   -7  26 o 138.889 2.9374  2591.43   109.218   2711.08   156.594   2478.10   152.406   142.014 4.1168  135.765 4.1911  6.248352       5.874758 
1 1 1 3   -7  27 f 99.835  2.4229  1338.11   64.738    1346.78   93.589    1330.16   89.644    100.140 3.4893  99.530  3.3626  0.6099548      4.845844 
1 1 1 3   -7  28 o 154.520 3.2152  3212.65   133.037   3301.04   190.506   3128.51   185.865   156.595 4.5420  152.446 4.5519  4.148926       6.430336 
1 1 1 3   -7  29 o 115.136 2.6288  1779.62   81.004    1876.94   117.085   1690.27   112.187   118.153 3.6997  112.120 3.7357  6.033562       5.257657 
1 1 1 3   -7  30 o 132.820 2.9328  2379.39   104.195   2312.69   149.960   2441.65   144.879   130.994 4.2740  134.646 4.0172  -3.652390      5.865576 
1 1 1 3   -7  31 o 78.476  2.2125  828.054   46.385    833.138   68.204    823.679   63.270    78.688  3.2360  78.264  3.0182  0.4241867      4.425067 
1 1 1 3   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -7  33 o 60.067  2.0722  485.682   33.048    497.503   50.001    476.513   44.038    60.655  3.0879  59.479  2.7642  1.176167       4.144356 
1 1 1 3   -7  34 o 121.606 2.8169  2012.87   91.571    1987.05   133.250   2035.97   126.052   120.802 4.1182  122.410 3.8445  -1.607536      5.633812 
1 1 1 3   -7  35 o 14.019  2.7495  21.652    11.275    48.052    19.292    7.9552    13.896    18.410  4.0246  9.6284  3.7471  8.781340       5.498932 
1 1 1 3   -7  36 f 23.947  2.4601  80.550    14.860    76.233    23.649    83.367    19.102    23.281  3.9327  24.612  2.9568  -1.331900      4.920189 
1 1 1 3   -7  37 o 54.459  2.1367  405.855   30.651    396.555   47.088    412.692   40.375    53.787  3.2842  55.132  2.7342  -1.344536      4.273356 
1 1 1 3   -7  38 o 24.689  2.5154  83.285    15.793    95.461    25.772    75.962    19.986    26.046  3.8066  23.332  3.2893  2.714128       5.030872 
1 1 1 3   -7  39 o 50.793  2.2631  359.248   29.844    339.922   47.047    372.262   38.606    49.451  3.5761  52.135  2.7746  -2.684055      4.526224 
1 1 1 3   -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -7  41 o 13.308  3.2722  22.202    13.348    30.836    24.436    18.530    15.935    14.791  5.0927  11.825  4.1101  2.965456       6.544325 
1 1 1 3   -7  42 o 52.572  2.3665  387.953   32.392    408.128   52.064    375.211   41.376    53.400  3.6622  51.744  2.9982  1.656136       4.732918 
1 1 1 3   -7  43 o 34.703  2.6316  176.674   22.822    172.921   38.292    178.741   28.421    33.929  4.3109  35.477  3.0196  -1.547886      5.263297 
1 1 1 3   -7  44 f 12.018  3.0073  3.8548    12.712    47.870    24.912    -11.6413  14.781    17.113  5.0725  6.9225  3.2319  10.19045       6.014555 
1 1 1 3   -7  45 o 9.6566  2.9761  2.8315    13.931    -11.2129  26.685    8.0935    16.334    9.6280  4.4420  9.6851  3.9620  -0.5707741E-01 5.952230 
1 1 1 3   -7  46 o 10.548  3.0665  9.4453    14.803    -18.1946  28.365    19.790    17.353    9.3653  4.4058  11.730  4.2665  -2.364744      6.133033 
1 1 1 3   -7  47 o 15.741  3.7815  38.493    17.437    62.584    33.490    29.533    20.423    18.045  5.9615  13.437  4.6541  4.607753       7.563043 
1 1 1 3   -7  48 o 12.620  3.4991  26.215    16.806    15.811    33.654    29.671    19.398    12.082  5.3282  13.158  4.5370  -1.075869      6.998143 
1 1 1 3   -6  0  o 400.358 7.4093  21558.06  794.424   21985.67  1124.05   21131.29  1122.92   404.341 10.379  396.375 10.577  7.965607       14.81853 
1 1 1 3   -6  1  o 133.096 2.7753  2375.15   98.860    2269.03   139.908   2480.96   139.709   130.123 4.0142  136.068 3.8334  -5.944839      5.550541 
1 1 1 3   -6  2  o 98.677  2.1991  1305.37   58.069    1369.20   82.083    1241.42   82.161    101.094 3.0314  96.259  3.1866  4.834671       4.398154 
1 1 1 3   -6  3  o 44.791  1.4684  268.708   17.613    261.073   24.794    276.487   25.025    44.148  2.0967  45.433  2.0565  -1.284710      2.936870 
1 1 1 3   -6  4  o 217.202 4.1141  6326.90   239.331   6412.42   338.367   6241.29   338.565   218.673 5.7770  215.732 5.8592  2.941574       8.228254 
1 1 1 3   -6  5  o 214.225 4.1026  6154.43   235.393   6074.27   332.881   6234.60   332.911   212.828 5.8394  215.622 5.7643  -2.794006      8.205256 
1 1 1 3   -6  6  o 324.076 6.0273  14104.27  523.186   14103.45  740.273   14105.10  739.522   324.066 8.5284  324.086 8.5193  -0.1986694E-01 12.05454 
1 1 1 3   -6  7  o 310.572 5.8009  12952.19  482.437   12636.93  682.720   13266.62  681.817   306.787 8.3084  314.358 8.0976  -7.570679      11.60173 
1 1 1 3   -6  8  o 210.342 4.0468  5934.61   227.874   5724.62   322.681   6143.52   321.847   206.624 5.8305  214.059 5.6134  -7.435806      8.093502 
1 1 1 3   -6  9  o 273.446 5.1623  10032.50  378.088   10117.37  534.933   9947.77   534.462   274.604 7.2728  272.289 7.3282  2.315247       10.32458 
1 1 1 3   -6  10 o 271.747 5.1226  9908.16   372.827   10058.84  527.158   9757.36   527.356   273.818 7.1877  269.676 7.3008  4.142212       10.24527 
1 1 1 3   -6  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -6  12 o 205.766 3.9679  5676.44   218.657   5561.66   308.803   5791.86   309.655   203.678 5.6604  207.854 5.5620  -4.176315      7.935739 
1 1 1 3   -6  13 o 599.334 11.019  48482.39  1768.73   47689.29  2500.42   49276.69  2502.31   594.391 15.705  604.276 15.460  -9.884949      22.03818 
1 1 1 3   -6  14 o 365.014 6.7903  17895.65  663.851   18074.47  938.671   17716.71  938.983   366.844 9.5531  363.185 9.6525  3.659668       13.58059 
1 1 1 3   -6  15 o 96.439  2.3022  1246.18   59.459    1263.60   83.783    1228.50   84.396    97.119  3.2208  95.760  3.2904  1.359032       4.604362 
1 1 1 3   -6  16 o 416.771 7.7267  23355.79  862.532   23452.41  1219.44   23259.06  1220.17   417.638 10.901  415.905 10.953  1.733002       15.45333 
1 1 1 3   -6  17 o 329.095 6.1722  14549.81  543.854   15012.88  769.003   14086.44  769.249   334.350 8.5869  323.840 8.8685  10.51044       12.34442 
1 1 1 3   -6  18 o 114.650 2.5832  1761.67   79.316    1783.49   111.740   1739.50   112.605   115.366 3.6161  113.933 3.6899  1.432922       5.166417 
1 1 1 3   -6  19 o 196.124 3.8388  5160.02   201.630   5284.88   286.372   5037.27   283.939   198.479 5.3867  193.769 5.4708  4.710480       7.677686 
1 1 1 3   -6  20 o 291.969 5.5225  11475.67  431.744   11174.27  611.595   11775.08  609.568   288.125 7.9249  295.813 7.6934  -7.687500      11.04499 
1 1 1 3   -6  21 o 38.855  1.8044  202.452   18.077    275.969   26.812    141.181   24.477    45.382  2.2057  32.328  2.8562  13.05425       3.608707 
1 1 1 3   -6  22 o 275.286 7.4908  10306.18  552.334   10273.09  781.204   10339.25  781.032   274.837 10.612  275.735 10.575  -0.8981323     14.98169 
1 1 1 3   -6  23 o 168.090 3.4766  3809.50   156.016   3484.38   221.940   4127.12   219.361   160.948 5.1483  175.232 4.6737  -14.28365      6.953260 
1 1 1 3   -6  24 o 34.918  1.8075  163.274   16.714    185.691   24.704    144.351   22.697    37.131  2.4985  32.706  2.6128  4.425072       3.615093 
1 1 1 3   -6  25 o 138.058 2.9517  2562.10   109.110   2545.31   156.137   2578.11   152.536   137.609 4.2361  138.507 4.1116  -0.8984222     5.903418 
1 1 1 3   -6  26 o 130.496 2.8344  2287.35   99.040    2345.87   142.185   2232.19   138.034   132.116 4.0180  128.877 3.9987  3.238556       5.668715 
1 1 1 3   -6  27 o 119.160 2.7235  1914.46   86.633    1778.86   124.470   2041.87   120.654   115.034 4.0397  123.287 3.6537  -8.253181      5.446930 
1 1 1 3   -6  28 o 167.574 3.4747  3787.74   155.781   3641.54   222.599   3928.08   218.085   164.372 5.0560  170.776 4.7677  -6.404572      6.949399 
1 1 1 3   -6  29 f 81.173  2.2104  882.649   47.983    924.633   70.330    846.089   65.629    82.971  3.1646  79.374  3.0869  3.596687       4.420862 
1 1 1 3   -6  30 o 191.608 3.8628  4970.90   198.159   4895.68   283.135   5043.11   277.430   190.151 5.5591  193.065 5.3649  -2.914017      7.725667 
1 1 1 3   -6  31 o 107.379 2.5270  1549.54   72.590    1634.81   105.838   1473.80   99.748    110.159 3.5870  104.598 3.5603  5.560692       5.053968 
1 1 1 3   -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -6  33 o 90.850  2.3605  1115.06   57.258    1113.73   84.373    1116.18   77.957    90.769  3.4704  90.932  3.2007  -0.1627579     4.721062 
1 1 1 3   -6  34 o 68.636  2.1726  638.481   39.644    623.953   59.426    650.132   53.216    67.887  3.2681  69.384  2.8635  -1.496635      4.345111 
1 1 1 3   -6  35 o 31.889  2.3099  144.057   18.510    121.219   29.459    158.954   23.793    29.577  3.8070  34.201  2.6172  -4.623850      4.619820 
1 1 1 3   -6  36 o 52.214  2.1232  371.727   29.166    370.547   45.033    372.579   38.278    52.067  3.2452  52.362  2.7388  -0.2946854     4.246468 
1 1 1 3   -6  37 o 43.740  2.1482  257.862   24.612    283.642   39.098    240.940   31.676    45.470  3.2313  42.010  2.8316  3.460098       4.296445 
1 1 1 3   -6  38 o 34.499  2.3616  168.820   20.620    147.857   32.917    182.359   26.454    32.492  3.8577  36.506  2.7251  -4.013454      4.723121 
1 1 1 3   -6  39 o 14.272  3.1481  25.026    12.947    42.103    22.746    16.840    15.748    16.965  4.7936  11.580  4.0819  5.385139       6.296107 
1 1 1 3   -6  40 o 69.507  3.0685  666.979   57.127    0.0000    0.0000    666.979   57.127    ?       ?       69.507  3.0685  ?              ?        
1 1 1 3   -6  41 o 26.526  2.7076  96.731    18.046    120.245   30.746    84.374    22.288    28.771  4.1062  24.282  3.5304  4.488918       5.415226 
1 1 1 3   -6  42 o 10.190  2.9263  8.3699    12.423    -2.7062   22.245    13.390    14.975    9.7901  4.3239  10.590  3.9441  -0.8001566     5.852502 
1 1 1 3   -6  43 o 16.593  3.2346  34.867    14.872    71.839    26.880    18.556    17.854    21.367  4.8125  11.819  4.3233  9.547217       6.469234 
1 1 1 3   -6  44 o 32.080  2.9608  161.669   22.742    138.089   38.393    174.416   28.228    29.321  5.0722  34.839  3.0558  -5.518171      5.921577 
1 1 1 3   -6  45 o 15.751  3.4545  40.278    15.380    39.650    28.380    40.540    18.301    15.488  5.4776  16.014  4.2108  -0.5257006     6.909026 
1 1 1 3   -6  46 o 14.339  3.8880  21.394    23.017    -8.2258   30.108    63.050    35.705    10.328  4.7479  18.350  6.1581  -8.022020      7.775909 
1 1 1 3   -6  47 o 10.728  3.2098  -2.9602   13.702    37.800    30.049    -13.6606  15.396    14.671  5.5608  6.7839  3.2078  7.887524       6.419693 
1 1 1 3   -6  48 o 17.475  3.8054  53.766    17.959    76.854    34.438    45.142    21.047    19.072  6.0249  15.879  4.6504  3.193473       7.610857 
1 1 1 3   -5  0  o 196.293 3.8176  5166.60   200.702   5242.29   284.098   5091.18   283.572   197.730 5.3642  194.857 5.4332  2.873688       7.635115 
1 1 1 3   -5  1  o 551.342 10.254  41070.13  1514.18   40590.90  2141.25   41549.47  2141.50   548.096 14.586  554.587 14.416  -6.490479      20.50788 
1 1 1 3   -5  2  o 383.219 7.0770  19752.06  726.351   20042.19  1027.24   19461.96  1027.19   386.045 9.9345  380.392 10.082  5.652802       14.15390 
1 1 1 3   -5  3  o 430.129 7.8949  24908.29  909.534   25133.74  1286.29   24682.86  1286.26   432.085 11.114  428.172 11.216  3.913605       15.78974 
1 1 1 3   -5  4  o 389.894 7.1886  20447.12  750.719   20347.34  1061.62   20546.92  1061.73   388.939 10.191  390.849 10.142  -1.910919      14.37724 
1 1 1 3   -5  5  o 295.274 5.5043  11705.78  435.319   11620.00  615.992   11791.36  615.276   294.190 7.8173  296.358 7.7511  -2.167572      11.00865 
1 1 1 3   -5  6  o 173.264 3.3980  4024.31   157.691   4006.22   223.621   4042.20   222.402   172.876 4.8293  173.652 4.7815  -0.7759705     6.796005 
1 1 1 3   -5  7  o 303.742 5.6709  12386.39  461.363   12444.48  652.941   12328.47  651.992   304.455 8.0069  303.030 8.0328  1.424835       11.34177 
1 1 1 3   -5  8  o 66.153  1.8323  586.246   32.460    571.001   45.785    601.651   46.026    65.288  2.6182  67.018  2.5641  -1.729691      3.664618 
1 1 1 3   -5  9  o 240.397 4.5787  7751.26   294.817   7808.05   416.687   7694.33   417.182   241.280 6.4476  239.514 6.5029  1.766632       9.157480 
1 1 1 3   -5  10 o 119.142 2.6203  1902.14   83.610    1931.00   118.031   1873.07   118.456   120.050 3.6707  118.234 3.7405  1.815605       5.240684 
1 1 1 3   -5  11 o 909.004 24.264  115047.70 5907.24   113337.50 8350.81   116760.50 8357.39   901.988 34.565  916.019 34.063  -14.03052      48.52842 
1 1 1 3   -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -5  13 o 381.107 7.0784  19514.04  722.542   19628.01  1021.60   19399.96  1022.06   382.224 9.9787  379.990 10.042  2.234741       14.15675 
1 1 1 3   -5  14 o 389.433 7.2219  20379.35  753.150   19882.65  1064.37   20877.44  1065.87   384.666 10.330  394.201 10.095  -9.535156      14.44375 
1 1 1 3   -5  15 o 277.172 5.2365  10306.89  388.711   10108.26  549.179   10506.30  550.263   274.491 7.4696  279.852 7.3410  -5.360535      10.47303 
1 1 1 3   -5  16 o 660.090 12.112  58924.06  2141.17   59950.87  3029.79   57899.57  3026.36   665.887 16.987  654.292 17.269  11.59485       24.22346 
1 1 1 3   -5  17 o 520.728 9.5770  36565.43  1335.58   35894.91  1889.31   37235.23  1888.30   515.922 13.672  525.534 13.415  -9.611511      19.15398 
1 1 1 3   -5  18 o 194.149 3.8375  5054.92   199.552   5037.30   283.372   5072.25   281.060   193.812 5.4587  194.486 5.3954  -0.6741028     7.675099 
1 1 1 3   -5  19 o 79.785  2.3708  891.059   46.564    960.472   57.164    754.171   80.276    84.670  2.5206  74.899  4.0161  9.771317       4.741566 
1 1 1 3   -5  20 o 84.524  2.1338  956.718   48.050    1096.48   69.384    827.921   66.607    90.454  2.8638  78.594  3.1640  11.85988       4.267620 
1 1 1 3   -5  21 o 117.240 2.6740  1854.78   83.386    1623.68   119.005   2077.69   116.876   110.009 4.0388  124.470 3.5057  -14.46129      5.348011 
1 1 1 3   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -5  23 o 133.395 2.8593  2390.49   102.113   2352.44   145.987   2426.94   142.881   132.349 4.1182  134.442 3.9678  -2.092911      5.718654 
1 1 1 3   -5  24 o 65.447  2.0814  585.659   35.707    472.659   51.782    688.103   49.304    59.259  3.2751  71.636  2.5696  -12.37716      4.162812 
1 1 1 3   -5  25 o 47.876  1.9410  312.942   24.402    263.545   35.730    356.122   33.406    44.215  3.0354  51.536  2.4201  -7.320667      3.882070 
1 1 1 3   -5  26 o 141.898 3.0168  2706.13   114.632   2759.46   164.413   2655.68   159.910   143.256 4.2848  140.541 4.2480  2.715012       6.033663 
1 1 1 3   -5  27 o 90.758  2.3021  1101.45   55.463    1320.04   81.227    910.514   75.915    99.174  3.0578  82.342  3.4420  16.83157       4.604122 
1 1 1 3   -5  28 o 76.209  2.1550  779.363   43.895    783.588   64.291    775.674   60.078    76.396  3.1419  76.021  2.9505  0.3755722      4.310079 
1 1 1 3   -5  29 o 154.153 3.1825  3198.24   131.294   3386.74   188.772   3021.60   182.732   158.560 4.4448  149.747 4.5558  8.813278       6.364900 
1 1 1 3   -5  30 o 93.436  2.3392  1169.67   58.435    1262.83   85.577    1088.29   79.986    96.910  3.2968  89.961  3.3195  6.948784       4.678447 
1 1 1 3   -5  31 o 84.290  2.2711  952.819   51.161    1007.03   75.482    906.752   69.581    86.494  3.2581  82.087  3.1647  4.407532       4.542110 
1 1 1 3   -5  32 o 136.994 2.9870  2537.52   109.521   2648.68   158.636   2436.28   151.390   139.853 4.2349  134.136 4.2137  5.717041       5.974076 
1 1 1 3   -5  33 o 24.018  2.3818  75.539    14.436    107.690   23.307    55.529    18.388    28.070  3.1546  19.966  3.5693  8.104193       4.763505 
1 1 1 3   -5  34 o 69.972  2.2408  670.635   41.359    609.137   61.896    720.244   55.592    66.925  3.4648  73.019  2.8424  -6.093407      4.481518 
1 1 1 3   -5  35 o 30.172  2.2383  124.146   17.401    128.262   27.916    121.532   22.253    30.509  3.4783  29.835  2.8180  0.6743355      4.476615 
1 1 1 3   -5  36 o 67.838  2.2305  626.974   40.136    622.342   61.011    630.509   53.292    67.538  3.3726  68.137  2.9200  -0.5989075     4.461061 
1 1 1 3   -5  37 o 16.376  2.9783  37.408    12.722    42.837    21.386    34.435    15.826    17.235  4.5615  15.518  3.8307  1.716496       5.956634 
1 1 1 3   -5  38 o 21.134  2.9586  70.485    15.479    42.725    25.320    87.052    19.560    17.188  5.1182  25.080  2.9694  -7.891878      5.917185 
1 1 1 3   -5  39 o 38.306  3.1240  215.008   29.845    233.082   38.109    186.338   47.996    40.891  3.5136  35.721  5.1665  5.169483       6.248032 
1 1 1 3   -5  40 o 25.556  2.7811  92.065    17.583    99.743    30.113    88.093    21.659    26.122  4.4643  24.989  3.3180  1.132977       5.562272 
1 1 1 3   -5  41 o 48.210  2.3599  322.827   29.556    347.316   47.916    307.787   37.550    49.448  3.6435  46.972  3.0002  2.476330       4.719757 
1 1 1 3   -5  42 f 18.511  3.3168  53.756    15.854    48.715    28.067    56.118    19.212    17.553  5.4226  19.468  3.8208  -1.914734      6.633523 
1 1 1 3   -5  43 o 23.947  3.2777  96.737    18.736    67.794    32.605    111.005   22.893    20.092  5.7606  27.802  3.1286  -7.710094      6.555360 
1 1 1 3   -5  44 o 25.698  2.9517  95.073    18.643    121.640   33.139    82.772    22.549    27.874  4.5990  23.523  3.7012  4.351370       5.903375 
1 1 1 3   -5  45 o 21.977  3.4880  76.623    18.850    86.625    34.002    72.185    22.649    22.349  5.6710  21.606  4.0627  0.7423115      6.976085 
1 1 1 3   -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -5  47 o 15.552  3.7742  41.622    17.549    50.539    34.057    38.398    20.477    16.128  5.9595  14.976  4.6327  1.152860       7.548344 
1 1 1 3   -4  0  o 238.375 4.5573  7623.96   290.959   7732.59   411.756   7515.62   411.201   240.074 6.4033  236.676 6.4865  3.397598       9.114686 
1 1 1 3   -4  1  o 123.262 2.5984  2037.08   85.708    2141.09   121.348   1933.55   121.071   126.405 3.5841  120.119 3.7630  6.285995       5.196740 
1 1 1 3   -4  2  o 77.145  1.8394  797.293   38.002    779.529   53.618    815.224   53.870    76.282  2.6242  78.009  2.5782  -1.727386      3.678801 
1 1 1 3   -4  3  o 493.054 9.0458  32792.27  1194.60   32590.82  1689.23   32993.81  1689.61   491.529 12.831  494.579 12.754  -3.050659      18.09151 
1 1 1 3   -4  4  o 421.242 7.7588  23890.99  875.264   24428.17  1238.71   23355.37  1236.91   425.995 10.856  416.490 11.088  9.504944       15.51760 
1 1 1 3   -4  5  o 226.540 4.3166  6884.15   261.918   6837.26   370.876   6930.80   369.942   225.768 6.1330  227.311 6.0761  -1.542435      8.633259 
1 1 1 3   -4  6  o 264.844 5.0035  9413.26   354.940   9387.73   501.896   9438.80   502.028   264.484 7.0847  265.204 7.0674  -0.7198792     10.00707 
1 1 1 3   -4  7  o 95.403  2.2197  1219.39   56.713    1191.17   79.951    1247.97   80.461    94.291  3.1656  96.514  3.1125  -2.222412      4.439473 
1 1 1 3   -4  8  o 471.639 8.7012  29963.27  1099.02   29317.05  1553.58   30610.59  1554.91   466.521 12.433  476.758 12.176  -10.23727      17.40236 
1 1 1 3   -4  9  o 315.780 5.8936  13387.86  498.483   13338.88  704.729   13436.90  705.193   315.201 8.3473  316.359 8.3222  -1.158447      11.78713 
1 1 1 3   -4  10 o 188.523 3.7143  4764.34   187.549   4716.76   264.984   4812.09   265.486   187.580 5.2741  189.467 5.2314  -1.887497      7.428556 
1 1 1 3   -4  11 o 334.384 6.2479  15013.82  559.584   14923.83  791.046   15103.96  791.696   333.378 8.8588  335.389 8.8129  -2.010437      12.49586 
1 1 1 3   -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -4  13 o 312.328 5.8156  13092.13  486.508   13150.85  688.849   13033.70  687.207   313.027 8.2159  311.628 8.2331  1.398773       11.63116 
1 1 1 3   -4  14 o 270.780 5.1075  9835.38   370.431   9869.04   524.777   9801.94   522.965   271.241 7.2232  270.318 7.2229  0.9235535      10.21490 
1 1 1 3   -4  15 o 381.165 7.1131  19524.79  725.901   18876.47  1027.04   20171.93  1026.12   374.820 10.230  387.510 9.8861  -12.68991      14.22629 
1 1 1 3   -4  16 o 49.064  3.0056  314.896   37.208    294.155   45.397    357.350   64.948    46.713  3.6575  51.416  4.7704  -4.703289      6.011117 
1 1 1 3   -4  17 f 214.883 4.1480  6192.13   238.655   6413.40   338.791   5974.19   336.240   218.697 5.7836  211.068 5.9475  7.628922       8.296001 
1 1 1 3   -4  18 o 148.480 3.0699  2954.51   122.074   3026.74   173.848   2884.25   171.455   150.271 4.3192  146.689 4.3638  3.581238       6.139894 
1 1 1 3   -4  19 o 91.230  2.3991  1156.85   54.270    1236.22   66.659    1000.82   93.463    96.057  2.5908  86.403  4.0385  9.653656       4.798107 
1 1 1 3   -4  20 o 100.501 2.3442  1352.84   62.954    1485.10   90.505    1228.86   87.625    105.259 3.2101  95.743  3.4169  9.515892       4.688304 
1 1 1 3   -4  21 o 115.416 2.5720  1786.04   79.493    1816.48   113.915   1757.14   110.981   116.373 3.6546  114.458 3.6200  1.914894       5.144004 
1 1 1 3   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -4  23 o 61.792  2.0629  525.697   33.119    401.596   48.079    637.760   45.688    54.611  3.3024  68.973  2.4731  -14.36177      4.125803 
1 1 1 3   -4  24 o 96.953  2.3180  1259.10   59.912    1436.30   86.803    1097.88   82.795    103.465 3.1322  90.442  3.4178  13.02266       4.635967 
1 1 1 3   -4  25 o 213.863 4.2153  6172.30   241.375   6043.40   343.469   6298.08   339.281   211.631 6.0593  216.096 5.8617  -4.465057      8.430556 
1 1 1 3   -4  26 o 122.108 2.7268  2003.62   89.118    1995.59   128.411   2011.07   123.780   121.864 3.9340  122.352 3.7770  -0.4879150     5.453681 
1 1 1 3   -4  27 o 51.514  2.0562  359.380   28.036    332.295   41.504    382.111   38.023    49.657  3.1366  53.372  2.6598  -3.714550      4.112496 
1 1 1 3   -4  28 o 271.778 5.2226  10030.79  380.168   10099.48  540.570   9963.57   534.756   272.691 7.4010  270.865 7.3708  1.825714       10.44528 
1 1 1 3   -4  29 o 169.112 3.4033  3853.79   153.968   4131.65   221.161   3592.46   214.480   175.045 4.7170  163.178 4.9072  11.86687       6.806696 
1 1 1 3   -4  30 o 130.006 2.9004  2281.56   100.822   2215.27   145.628   2342.58   139.722   128.160 4.2423  131.851 3.9563  -3.691498      5.800830 
1 1 1 3   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -4  32 o 48.814  2.1384  328.504   27.169    285.723   41.364    360.967   36.032    45.893  3.3890  51.735  2.6086  -5.842125      4.276709 
1 1 1 3   -4  33 o 34.998  2.1887  169.922   19.760    149.245   30.399    185.052   26.003    33.030  3.4889  36.967  2.6436  -3.937195      4.377313 
1 1 1 3   -4  34 o 51.222  2.1749  362.889   29.041    314.182   44.072    400.269   38.608    47.992  3.4516  54.453  2.6471  -6.461075      4.349765 
1 1 1 3   -4  35 o 67.782  2.1707  617.951   39.161    672.646   59.594    576.383   51.952    70.371  3.1617  65.193  2.9752  5.177299       4.341443 
1 1 1 3   -4  36 o 51.313  2.1802  363.501   29.215    337.377   45.120    382.359   38.336    49.590  3.4178  53.036  2.7076  -3.445961      4.360324 
1 1 1 3   -4  37 o 41.580  2.1650  231.708   23.570    267.457   37.579    208.523   30.264    44.133  3.2008  39.028  2.9161  5.105564       4.329981 
1 1 1 3   -4  38 f 60.109  2.2394  494.549   35.477    505.643   55.115    486.701   46.358    60.526  3.4136  59.691  2.8995  0.8348656      4.478795 
1 1 1 3   -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -4  40 o 10.598  2.9751  9.1314    11.749    13.965    21.366    7.0366    14.066    11.846  4.6364  9.3496  3.7294  2.496635       5.950209 
1 1 1 3   -4  41 o 24.626  3.0733  91.447    18.371    84.709    31.469    94.931    22.626    23.445  5.1519  25.807  3.3525  -2.361483      6.146624 
1 1 1 3   -4  42 f 11.192  3.0909  11.962    12.326    20.315    23.139    8.6526    14.565    12.770  4.8701  9.6141  3.8075  3.155516       6.181876 
1 1 1 3   -4  43 o 13.614  3.4053  27.132    14.890    24.667    27.147    28.192    17.807    13.599  5.2526  13.629  4.3353  -0.3045750E-01 6.810613 
1 1 1 3   -4  44 o 19.528  3.3772  49.811    17.144    103.637   32.215    28.544    20.250    25.410  4.9109  13.646  4.6373  11.76470       6.754403 
1 1 1 3   -4  45 o 23.209  3.3350  80.320    18.847    107.630   34.337    68.545    22.547    25.455  5.2115  20.962  4.1627  4.493601       6.669930 
1 1 1 3   -4  46 o 14.989  3.7970  27.270    17.707    68.885    35.722    13.713    20.388    18.982  6.1510  10.996  4.4534  7.986658       7.593936 
1 1 1 3   -4  47 o 14.973  3.6670  41.761    17.954    29.974    35.274    45.883    20.858    13.649  5.7239  16.298  4.5853  -2.649282      7.334014 
1 1 1 3   -3  0  f 636.529 11.759  55002.93  2000.91   58976.82  2832.72   51045.90  2826.70   659.779 16.029  613.278 17.208  46.50067       23.51725 
1 1 1 3   -3  1  o 243.662 4.6019  7966.66   300.336   8005.26   424.642   7928.02   424.836   244.254 6.4907  243.070 6.5253  1.183762       9.203743 
1 1 1 3   -3  2  o 412.482 7.6144  22907.97  841.171   23304.25  1189.78   22511.94  1189.41   416.068 10.676  408.897 10.860  7.170654       15.22888 
1 1 1 3   -3  3  o 228.250 4.3162  6989.23   263.867   6931.65   373.763   7046.45   372.568   227.311 6.1389  229.190 6.0691  -1.878937      8.632446 
1 1 1 3   -3  4  o 250.301 4.7529  8407.71   318.614   8550.89   450.891   8264.91   450.286   252.433 6.6686  248.168 6.7741  4.265091       9.505742 
1 1 1 3   -3  5  o 187.876 3.6790  4732.71   185.136   4724.72   261.674   4740.72   261.969   187.717 5.2044  188.035 5.2014  -0.3178558     7.358026 
1 1 1 3   -3  6  o 340.352 6.3356  15566.85  577.516   15804.71  816.769   15329.03  816.693   342.961 8.8913  337.743 9.0278  5.217804       12.67112 
1 1 1 3   -3  7  o 92.590  2.2003  1148.78   54.554    1175.40   77.041    1122.02   77.262    93.666  3.0708  91.513  3.1521  2.152786       4.400600 
1 1 1 3   -3  8  o 334.566 6.2692  15037.73  561.662   15427.37  794.416   14648.30  794.203   338.912 8.7513  330.219 8.9793  8.693359       12.53843 
1 1 1 3   -3  9  o 61.617  1.8371  508.574   30.314    494.885   42.704    522.479   43.039    60.781  2.6231  62.453  2.5729  -1.671810      3.674270 
1 1 1 3   -3  10 o 424.797 7.8635  24285.97  893.591   25736.85  1265.55   22843.41  1261.92   437.509 10.799  412.084 11.433  25.42474       15.72703 
1 1 1 3   -3  11 o 121.645 2.6494  1984.38   86.244    1900.49   122.593   2066.57   121.351   119.096 3.8431  124.194 3.6480  -5.098000      5.298802 
1 1 1 3   -3  12 o 261.860 9.8807  9212.39   693.018   0.0000    0.0000    9212.39   693.018   ?       ?       261.860 9.8807  ?              ?        
1 1 1 3   -3  13 o 270.458 5.1122  9812.35   370.312   9960.58   524.685   9665.24   522.720   272.496 7.1887  268.421 7.2705  4.075256       10.22436 
1 1 1 3   -3  14 o 352.267 6.5193  16674.16  614.306   17713.21  870.536   15643.55  866.995   363.233 8.9477  341.302 9.4839  21.93118       13.03867 
1 1 1 3   -3  15 o 431.763 8.0192  25076.08  926.825   24074.11  1310.96   26077.33  1310.49   423.102 11.568  440.424 11.109  -17.32245      16.03831 
1 1 1 3   -3  16 o 276.159 5.2213  10236.08  386.031   9891.54   546.758   10578.54  545.106   271.515 7.5182  280.804 7.2475  -9.289246      10.44266 
1 1 1 3   -3  17 o 424.092 7.8822  24202.53  895.312   23953.93  1267.16   24450.34  1265.17   421.906 11.213  426.279 11.081  -4.373291      15.76435 
1 1 1 3   -3  18 o 183.493 3.6465  4516.23   179.169   4425.16   254.573   4605.61   252.210   181.656 5.2321  185.330 5.0807  -3.673721      7.293038 
1 1 1 3   -3  19 o 94.523  2.2683  1196.85   57.142    1364.34   82.348    1041.31   79.356    100.902 3.0470  88.145  3.3612  12.75648       4.536698 
1 1 1 3   -3  20 o 194.825 3.8397  5097.23   200.355   5079.67   284.895   5114.41   281.819   194.489 5.4689  195.161 5.3912  -0.6715393     7.679485 
1 1 1 3   -3  21 o 204.548 4.0126  5626.65   219.785   5529.10   312.443   5722.20   309.228   202.782 5.7525  206.314 5.5958  -3.532684      8.025189 
1 1 1 3   -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -3  23 o 200.731 4.0030  5429.55   215.076   5247.97   306.002   5606.83   302.358   197.387 5.7878  204.075 5.5315  -6.687683      8.006028 
1 1 1 3   -3  24 o 208.152 4.1057  5840.01   228.885   5835.41   325.903   5844.50   321.525   208.061 5.8480  208.242 5.7644  -0.1811218     8.211446 
1 1 1 3   -3  25 o 176.683 3.6559  4212.14   172.645   3946.29   246.193   4469.38   242.171   171.149 5.3705  182.218 4.9618  -11.06926      7.311755 
1 1 1 3   -3  26 o 139.683 3.0096  2622.77   112.555   2643.86   161.755   2602.97   156.717   140.221 4.3068  139.145 4.2049  1.075592       6.019149 
1 1 1 3   -3  27 o 99.456  2.4520  1327.06   65.236    1354.63   95.063    1302.52   89.687    100.426 3.5341  98.486  3.3999  1.939934       4.903975 
1 1 1 3   -3  28 o 134.204 2.9697  2425.71   106.612   2370.56   153.638   2476.92   148.061   132.713 4.3221  135.695 4.0737  -2.982285      5.939310 
1 1 1 3   -3  29 o 124.382 2.7751  2079.50   92.384    2157.11   133.853   2008.90   127.669   126.592 3.9476  122.173 3.9014  4.419167       5.550184 
1 1 1 3   -3  30 o 170.484 3.5449  3931.94   161.822   4006.82   232.390   3861.45   225.470   172.048 5.0429  168.919 4.9833  3.128845       7.089732 
1 1 1 3   -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -3  32 o 87.855  2.3810  1044.84   55.754    1011.25   82.271    1073.36   75.820    86.506  3.5507  89.204  3.1733  -2.697578      4.762083 
1 1 1 3   -3  33 o 21.094  2.5821  60.547    13.767    69.043    22.351    55.354    17.475    22.235  3.8949  19.954  3.3910  2.280991       5.164255 
1 1 1 3   -3  34 o 60.849  2.1988  506.762   35.231    473.557   53.515    532.160   46.804    58.956  3.4034  62.741  2.7851  -3.784985      4.397692 
1 1 1 3   -3  35 o 75.035  2.2858  766.773   45.563    758.274   68.760    773.427   60.837    74.587  3.4418  75.484  3.0090  -0.8969116     4.571666 
1 1 1 3   -3  36 o 83.068  2.3937  941.187   52.907    956.175   79.779    929.420   70.687    83.568  3.5642  82.568  3.1963  1.000633       4.787422 
1 1 1 3   -3  37 o 34.226  2.5861  173.303   21.430    127.679   34.511    201.937   27.341    29.992  4.4293  38.459  2.6706  -8.467785      5.172170 
1 1 1 3   -3  38 o 57.256  2.2195  445.388   33.437    484.656   52.622    418.796   43.303    59.257  3.3290  55.256  2.9364  4.001099       4.438968 
1 1 1 3   -3  39 o 22.163  3.2062  58.198    16.406    107.847   34.432    43.615    18.661    27.045  4.9351  17.282  4.0943  9.763607       6.412341 
1 1 1 3   -3  40 o 11.293  3.1704  10.990    13.258    15.743    24.490    9.0193    15.768    12.544  4.9470  10.042  3.9666  2.502113       6.340871 
1 1 1 3   -3  41 o 14.645  3.3918  28.438    14.383    42.394    26.343    22.510    17.168    16.628  5.2711  12.661  4.2701  3.967144       6.783699 
1 1 1 3   -3  42 o 37.267  2.5579  198.645   24.048    210.814   40.878    192.204   29.738    37.725  4.1121  36.810  3.0435  0.9152374      5.115882 
1 1 1 3   -3  43 o 9.2791  2.8896  -2.2094   11.811    9.7042    24.615    -5.7729   13.462    11.392  4.7797  7.1661  3.2484  4.226015       5.779110 
1 1 1 3   -3  44 o 19.270  3.4473  66.278    18.145    39.929    32.451    78.264    21.887    15.704  5.8144  22.836  3.7052  -7.132189      6.894606 
1 1 1 3   -3  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -3  46 o 10.555  3.2988  4.5518    16.306    7.5539    32.373    3.5312    18.876    11.721  5.1945  9.3878  4.0676  2.333574       6.597566 
1 1 1 3   -3  47 o 12.375  3.5426  18.558    16.471    41.572    31.911    10.200    19.231    14.685  5.6885  10.064  4.2238  4.620452       7.085175 
1 1 1 3   -2  0  o 153.301 3.6650  3041.89   144.131   2797.83   176.777   3525.84   248.931   144.468 4.5684  162.133 5.7321  -17.66541      7.329916 
1 1 1 3   -2  1  o 168.290 3.9797  3778.80   169.668   3738.56   207.948   3858.93   293.457   166.996 4.6490  169.584 6.4606  -2.588425      7.959404 
1 1 1 3   -2  2  f 358.846 8.3699  17685.37  751.232   18326.97  921.064   16410.45  1298.37   369.190 9.3143  348.501 13.909  20.68863       16.73989 
1 1 1 3   -2  3  o 396.270 7.3479  21134.32  779.865   20885.89  1102.62   21383.00  1103.17   393.928 10.450  398.611 10.332  -4.682556      14.69573 
1 1 1 3   -2  4  o 203.280 3.9627  5541.96   215.761   5571.75   305.038   5512.14   305.226   203.827 5.5873  202.732 5.6210  1.095032       7.925467 
1 1 1 3   -2  5  o 211.702 4.0805  6010.89   231.381   5997.41   327.042   6024.41   327.404   211.464 5.7740  211.940 5.7674  -0.4757538     8.161021 
1 1 1 3   -2  6  o 265.726 5.0528  9478.47   359.538   9242.56   508.852   9713.67   508.077   262.416 7.2396  269.036 7.0507  -6.619904      10.10559 
1 1 1 3   -2  7  o 274.944 5.1778  10145.81  381.272   10331.94  540.009   9960.78   538.395   277.464 7.2662  272.425 7.3784  5.038300       10.35561 
1 1 1 3   -2  8  o 208.713 4.0362  5841.53   225.619   5768.74   319.705   5913.76   318.447   207.416 5.7546  210.011 5.6612  -2.595047      8.072467 
1 1 1 3   -2  9  o 391.929 7.2690  20648.92  763.063   20822.53  1079.99   20475.86  1078.28   393.579 10.245  390.279 10.315  3.299957       14.53794 
1 1 1 3   -2  10 o 374.083 6.9347  18802.22  694.815   18983.51  982.648   18620.95  982.587   375.892 9.7599  372.274 9.8541  3.618347       13.86938 
1 1 1 3   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -2  12 o 514.098 9.4565  35599.60  1302.09   36037.20  1841.60   35162.17  1841.26   517.275 13.292  510.921 13.455  6.354034       18.91299 
1 1 1 3   -2  13 o 481.241 8.8725  31168.98  1143.57   31636.60  1617.45   30701.59  1617.06   484.868 12.454  477.615 12.640  7.253204       17.74505 
1 1 1 3   -2  14 o 243.458 4.7694  7949.26   310.993   8055.43   439.801   7843.07   439.819   245.087 6.6996  241.830 6.7901  3.256592       9.538850 
1 1 1 3   -2  15 o 227.715 4.3730  6954.62   266.598   6699.83   376.628   7210.48   377.427   223.529 6.2906  231.901 6.0763  -8.371643      8.746024 
1 1 1 3   -2  16 o 488.546 9.0372  32146.76  1182.33   32894.66  1672.49   31399.61  1671.66   494.258 12.633  482.834 12.926  11.42377       18.07434 
1 1 1 3   -2  17 f 190.807 3.7423  4881.56   191.234   4786.06   270.154   4977.46   270.739   188.934 5.3384  192.679 5.2460  -3.744598      7.484585 
1 1 1 3   -2  18 o 438.775 7.9940  25955.28  939.476   25778.87  1328.33   26131.84  1328.91   437.274 11.341  440.276 11.269  -3.002136      15.98792 
1 1 1 3   -2  19 o 348.832 6.5031  16410.24  606.770   17420.37  858.763   15403.22  857.444   359.625 8.9153  338.039 9.4700  21.58569       13.00627 
1 1 1 3   -2  20 o 76.307  2.0006  780.491   40.872    750.888   57.589    810.534   58.016    74.848  2.8726  77.766  2.7853  -2.917824      4.001188 
1 1 1 3   -2  21 o 116.909 3.8188  1860.09   117.888   2123.08   163.685   1576.66   169.928   125.716 4.8610  108.102 5.8909  17.61452       7.637587 
1 1 1 3   -2  22 o 113.878 2.5507  1740.46   77.793    1769.58   109.901   1711.22   110.130   114.835 3.5731  112.921 3.6412  1.914017       5.101471 
1 1 1 3   -2  23 o 76.319  2.0220  781.187   41.323    758.015   58.242    804.677   58.640    75.178  2.8924  77.460  2.8264  -2.281898      4.044067 
1 1 1 3   -2  24 o 175.418 4.2667  4113.19   188.886   4260.63   330.142   4041.45   230.304   177.534 6.9427  173.301 4.9615  4.232620       8.533333 
1 1 1 3   -2  25 o 78.432  2.2149  829.660   46.283    770.738   67.420    882.179   63.651    75.775  3.3218  81.089  2.9306  -5.313881      4.429764 
1 1 1 3   -2  26 o 123.977 2.8046  2070.22   92.911    1970.92   133.934   2162.33   128.997   121.086 4.1296  126.867 3.7962  -5.780098      5.609297 
1 1 1 3   -2  27 o 69.797  2.0944  648.917   38.999    731.249   57.936    580.706   52.734    73.817  2.9303  65.778  2.9931  8.038673       4.188700 
1 1 1 3   -2  28 f 54.362  2.0847  400.640   29.956    370.603   44.655    425.219   40.394    52.433  3.1949  56.291  2.6791  -3.858070      4.169500 
1 1 1 3   -2  29 f 53.996  2.1159  397.783   30.022    354.522   45.059    432.319   40.260    51.247  3.3002  56.746  2.6488  -5.498756      4.231740 
1 1 1 3   -2  30 o 185.646 4.6253  4656.14   218.752   4546.48   269.148   4869.55   375.476   182.988 5.4914  188.304 7.4445  -5.315735      9.250689 
1 1 1 3   -2  31 o 32.625  2.1556  144.029   18.429    148.303   28.303    140.884   24.282    33.018  3.2422  32.233  2.8416  0.7848396      4.311198 
1 1 1 3   -2  32 o 26.289  2.3062  94.297    15.555    96.799    24.737    92.661    20.006    26.520  3.5734  26.058  2.9164  0.4626217      4.612424 
1 1 1 3   -2  33 o 71.761  2.1898  691.009   41.871    749.600   63.272    645.360   55.848    74.428  3.1739  69.094  3.0177  5.334534       4.379513 
1 1 1 3   -2  34 o 34.069  2.1700  152.593   19.202    193.982   30.977    126.762   24.472    37.701  3.0949  30.436  3.0426  7.265285       4.339993 
1 1 1 3   -2  35 o 40.445  2.1523  221.911   22.777    232.129   35.844    214.990   29.499    41.162  3.2783  39.729  2.7898  1.432526       4.304700 
1 1 1 3   -2  36 o 17.273  2.9119  38.046    13.045    62.958    22.592    25.585    15.978    21.010  4.1618  13.537  4.0738  7.472980       5.823803 
1 1 1 3   -2  37 o 33.638  2.3892  158.970   20.389    147.781   32.985    165.889   25.938    32.486  3.8668  34.789  2.8075  -2.303169      4.778497 
1 1 1 3   -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -2  39 o 35.760  2.3987  174.887   22.111    197.756   36.382    161.493   27.842    37.449  3.6744  34.070  3.0844  3.378761       4.797355 
1 1 1 3   -2  40 o 25.897  3.1450  103.524   19.448    85.422    33.315    112.882   23.954    23.510  5.4038  28.284  3.2192  -4.774588      6.289989 
1 1 1 3   -2  41 o 12.436  3.0490  20.718    13.920    -3.7781   24.250    32.755    16.999    10.095  4.4836  14.776  4.1332  -4.681735      6.098032 
1 1 1 3   -2  42 o 23.378  3.0826  76.812    17.884    110.288   31.130    60.319    21.850    26.879  4.4816  19.877  4.2338  7.002415       6.165261 
1 1 1 3   -2  43 o 26.808  3.2869  115.427   21.007    101.748   36.443    122.233   25.707    24.665  5.6391  28.951  3.3788  -4.285347      6.573854 
1 1 1 3   -2  44 o 13.323  3.3647  27.111    15.175    14.395    28.675    32.058    17.885    12.340  5.1671  14.307  4.3111  -1.967542      6.729342 
1 1 1 3   -2  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -2  46 o 8.9846  2.9409  -6.8088   14.110    -0.2048   28.941    -8.8678   16.160    10.557  4.7762  7.4120  3.4326  3.145037       5.881772 
1 1 1 3   -1  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -1  1  o 200.992 5.5199  5417.89   297.166   5417.89   297.166   0.0000    0.0000    200.992 5.5199  ?       ?       ?              ?        
1 1 1 3   -1  2  o 517.507 12.023  36892.47  1557.28   37963.71  1907.44   34751.13  2696.81   530.222 13.431  504.791 19.946  25.43109       24.04622 
1 1 1 3   -1  3  o 478.237 8.8238  30851.16  1130.04   31604.79  1598.46   30098.19  1597.76   484.117 12.327  472.357 12.629  11.76007       17.64762 
1 1 1 3   -1  4  o 234.518 4.4323  7378.99   278.391   7494.39   393.641   7263.52   393.768   236.355 6.2179  232.680 6.3182  3.675583       8.864659 
1 1 1 3   -1  5  o 41.796  1.5841  234.735   17.657    224.564   24.901    245.022   25.042    40.880  2.2832  42.712  2.1964  -1.832104      3.168163 
1 1 1 3   -1  6  o 278.095 5.2538  10381.28  391.312   10524.00  553.378   10238.54  553.421   280.011 7.3783  276.178 7.4813  3.832397       10.50759 
1 1 1 3   -1  7  o 53.435  1.6890  382.530   24.171    388.601   34.111    376.408   34.255    53.861  2.3645  53.009  2.4126  0.8519325      3.378051 
1 1 1 3   -1  8  o 71.942  1.9063  693.374   36.731    701.439   51.858    685.255   52.034    72.362  2.6756  71.522  2.7162  0.8399429      3.812652 
1 1 1 3   -1  9  o 321.717 5.9893  13896.10  516.082   14036.47  729.808   13755.70  729.893   323.346 8.4266  320.088 8.5134  3.258362       11.97851 
1 1 1 3   -1  10 o 160.215 3.2399  3440.06   139.036   3425.98   196.465   3454.18   196.790   159.886 4.5876  160.543 4.5764  -0.6569824     6.479900 
1 1 1 3   -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -1  12 o 317.036 5.9442  13492.72  504.650   13831.03  713.759   13154.55  713.606   321.019 8.3010  313.052 8.5104  7.966156       11.88844 
1 1 1 3   -1  13 o 620.823 11.421  52042.10  1898.29   53934.42  2685.82   50153.25  2683.35   632.190 15.861  609.456 16.438  22.73431       22.84266 
1 1 1 3   -1  14 o 129.149 2.7884  2235.15   96.425    2161.87   136.095   2309.01   136.639   127.022 4.0001  131.276 3.8860  -4.253464      5.576897 
1 1 1 3   -1  15 o 218.139 4.1979  6380.03   245.272   6424.97   346.651   6334.98   347.084   218.910 5.9121  217.369 5.9614  1.540619       8.395865 
1 1 1 3   -1  16 o 689.946 12.727  64489.86  2352.02   64725.11  3326.16   64254.58  3326.35   691.219 17.965  688.673 18.033  2.546631       25.45473 
1 1 1 3   -1  17 o 186.895 3.6730  4683.53   183.862   4716.13   259.779   4650.81   260.263   187.547 5.1713  186.242 5.2173  1.305344       7.345948 
1 1 1 3   -1  18 o 255.606 4.8330  8775.16   330.799   8532.95   467.336   9018.38   468.307   252.061 6.9220  259.150 6.7467  -7.088974      9.666040 
1 1 1 3   -1  19 o 207.352 4.0227  5773.55   223.405   5692.83   315.603   5854.62   316.284   205.896 5.7227  208.808 5.6551  -2.911774      8.045483 
1 1 1 3   -1  20 o 77.136  2.0689  797.618   42.743    798.127   60.188    797.101   60.709    77.162  2.9122  77.111  2.9393  0.5028534E-01  4.137714 
1 1 1 3   -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -1  22 o 183.304 3.6541  4519.62   179.402   4559.84   253.530   4479.28   253.896   184.125 5.1408  182.483 5.1945  1.641891       7.308254 
1 1 1 3   -1  23 o 209.311 4.1357  5903.94   231.864   5890.72   327.671   5917.19   328.141   209.076 5.8512  209.546 5.8464  -0.4703064     8.271476 
1 1 1 3   -1  24 f 187.826 3.8563  4752.70   193.995   4805.39   274.217   4699.90   274.485   188.875 5.4204  186.777 5.4866  2.098022       7.712579 
1 1 1 3   -1  25 o 191.755 3.8531  4955.16   197.893   4992.43   279.728   4917.83   280.000   192.482 5.4257  191.028 5.4723  1.453659       7.706135 
1 1 1 3   -1  26 o 218.310 4.2222  6433.66   246.867   6324.24   348.823   6543.45   349.422   216.437 6.0171  220.183 5.9249  -3.745789      8.444471 
1 1 1 3   -1  27 o 65.873  2.0270  582.676   35.741    601.886   50.299    563.083   50.797    66.973  2.8040  64.772  2.9279  2.200539       4.053981 
1 1 1 3   -1  28 o 113.047 2.5697  1718.40   77.807    1729.12   109.943   1707.65   110.129   113.402 3.6196  112.692 3.6485  0.7099304      5.139367 
1 1 1 3   -1  29 o 131.956 2.8307  2346.87   100.029   2400.33   141.461   2293.41   141.464   133.468 3.9570  130.443 4.0489  3.025085       5.661403 
1 1 1 3   -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -1  31 o 66.637  2.6034  598.757   42.511    607.629   77.475    594.935   50.850    66.803  4.3537  66.471  2.8561  0.3317871      5.206896 
1 1 1 3   -1  32 o 89.311  2.4121  1081.49   57.405    1053.52   84.973    1104.98   77.859    88.195  3.5970  90.426  3.2146  -2.230232      4.824150 
1 1 1 3   -1  33 o 17.276  2.8172  43.441    12.673    35.163    19.956    49.035    16.405    15.818  4.4972  18.734  3.3943  -2.916328      5.634360 
1 1 1 3   -1  34 o 74.153  2.2597  742.576   44.585    783.816   67.727    711.034   59.229    75.914  3.3308  72.392  3.0546  3.522110       4.519387 
1 1 1 3   -1  35 o 38.436  2.2323  202.301   22.292    202.832   35.299    201.949   28.751    38.389  3.4704  38.483  2.8087  -0.9429932E-01 4.464591 
1 1 1 3   -1  36 o 24.545  2.6093  83.057    16.127    90.290    26.636    78.872    20.263    25.273  4.0732  23.816  3.2622  1.457338       5.218555 
1 1 1 3   -1  37 o 28.649  2.4672  109.277   18.036    138.611   30.090    92.827    22.533    31.501  3.6328  25.797  3.3394  5.704569       4.934463 
1 1 1 3   -1  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   -1  39 o 34.966  2.4120  167.488   21.650    190.145   35.973    154.622   27.109    36.633  3.7177  33.298  3.0742  3.335163       4.824070 
1 1 1 3   -1  40 o 34.067  2.5556  162.806   22.216    177.739   36.897    154.315   27.824    35.044  4.0027  33.090  3.1784  1.954647       5.111161 
1 1 1 3   -1  41 o 13.610  3.1948  27.879    14.306    10.822    25.134    36.053    17.399    11.782  4.8772  15.437  4.1279  -3.655354      6.389598 
1 1 1 3   -1  42 o 20.581  3.3452  58.851    17.208    94.973    31.352    43.279    20.585    24.520  4.9443  16.641  4.5071  7.879454       6.690338 
1 1 1 3   -1  43 o 16.775  3.2404  26.960    16.285    93.028    31.241    2.3105    19.082    24.038  5.0144  9.5119  4.1055  14.52605       6.480708 
1 1 1 3   -1  44 o 29.450  5.7563  147.874   43.779    147.874   43.779    0.0000    0.0000    29.450  5.7563  ?       ?       ?              ?        
1 1 1 3   -1  45 o 11.250  3.3698  11.674    16.301    6.9932    31.760    13.348    18.993    11.715  5.1706  10.786  4.3228  0.9293318      6.739543 
1 1 1 3   -1  46 o 18.217  3.9409  57.702    19.088    79.188    37.774    50.334    22.119    19.434  6.3270  17.000  4.7003  2.433674       7.881849 
1 1 1 3   0   0  o 463.526 12.137  28970.46  1506.86   28970.46  1506.86   0.0000    0.0000    463.526 12.137  ?       ?       ?              ?        
1 1 1 3   0   1  o 422.334 9.8156  24461.69  1038.10   25168.77  1271.70   23049.50  1797.20   432.314 10.982  412.354 16.272  19.95950       19.63122 
1 1 1 3   0   2  o 264.318 4.9764  9377.77   352.300   9283.84   498.132   9471.78   498.322   262.991 7.0716  265.645 7.0036  -2.654419      9.952736 
1 1 1 3   0   3  o 371.096 6.9068  18521.81  686.510   18437.09  970.778   18606.55  970.965   370.244 9.7891  371.949 9.7461  -1.704559      13.81352 
1 1 1 3   0   4  o 230.338 4.4005  7118.73   271.403   6906.35   383.604   7331.58   384.039   226.892 6.3121  233.784 6.1330  -6.891998      8.800937 
1 1 1 3   0   5  o 99.388  2.2671  1323.48   60.352    1320.98   85.296    1325.97   85.405    99.295  3.2071  99.482  3.2052  -0.1874771     4.534183 
1 1 1 3   0   6  o 145.769 3.0041  2847.90   117.283   2888.51   165.816   2807.24   165.909   146.809 4.2168  144.728 4.2799  2.081573       6.008221 
1 1 1 3   0   7  o 160.693 3.2423  3461.45   139.523   3543.48   197.284   3379.38   197.346   162.599 4.5299  158.787 4.6401  3.812668       6.484584 
1 1 1 3   0   8  o 227.807 4.3412  6959.76   264.861   6839.70   374.336   7080.12   374.803   225.837 6.1884  229.777 6.0899  -3.939758      8.682305 
1 1 1 3   0   9  o 507.155 9.3511  34649.83  1270.07   35349.76  1796.56   33950.53  1795.76   512.305 13.093  502.006 13.355  10.29913       18.70225 
1 1 1 3   0   10 o 424.819 15.749  24364.39  1792.08   24364.39  1792.08   0.0000    0.0000    424.819 15.749  ?       ?       ?              ?        
1 1 1 3   0   11 o 336.191 6.2421  15173.97  562.094   15139.22  794.758   15208.76  795.083   335.806 8.8361  336.578 8.8194  -0.7719116     12.48429 
1 1 1 3   0   12 o 309.419 5.7383  12847.72  475.575   12847.13  672.432   12848.31  672.696   309.412 8.1138  309.426 8.1166  -0.1406860E-01 11.47658 
1 1 1 3   0   13 o 373.811 6.8802  18768.09  688.788   19115.97  974.214   18420.38  973.972   377.285 9.6404  370.338 9.8188  6.947021       13.76034 
1 1 1 3   0   14 o 272.817 5.0802  9983.54   371.224   10008.75  524.868   9958.30   525.112   273.162 7.1737  272.472 7.1952  0.6905518      10.16030 
1 1 1 3   0   15 o 450.230 8.3705  27273.50  1009.40   27493.42  1427.52   27053.58  1427.51   452.054 11.790  448.407 11.885  3.647308       16.74101 
1 1 1 3   0   16 o 279.761 5.2538  10506.89  393.500   10120.39  555.957   10894.88  557.031   274.593 7.5590  284.928 7.2989  -10.33453      10.50767 
1 1 1 3   0   17 f 249.485 4.7752  8355.44   319.054   8520.92   451.174   8189.90   451.246   251.962 6.6853  247.008 6.8205  4.953735       9.550493 
1 1 1 3   0   18 o 213.430 4.1385  6116.77   236.482   6323.98   334.451   5909.61   334.421   217.055 5.7527  209.806 5.9509  7.248199       8.276937 
1 1 1 3   0   19 o 145.303 3.0899  2833.24   120.225   2905.18   169.931   2761.14   170.117   147.154 4.3113  143.452 4.4274  3.701447       6.179787 
1 1 1 3   0   20 o 159.758 4.5939  3433.82   196.516   3328.32   274.118   3545.38   281.874   157.234 6.5088  162.283 6.4847  -5.049286      9.187875 
1 1 1 3   0   21 o 268.190 5.1215  9709.64   367.835   9917.57   520.187   9501.71   520.206   271.084 7.1642  265.295 7.3208  5.789215       10.24302 
1 1 1 3   0   22 o 243.815 4.7032  8028.17   306.718   8520.14   433.999   7537.26   433.530   251.339 6.4467  236.291 6.8499  15.04851       9.406440 
1 1 1 3   0   23 o 109.456 2.5190  1608.30   73.850    1605.02   104.242   1611.61   104.639   109.344 3.5593  109.568 3.5655  -0.2239227     5.037992 
1 1 1 3   0   24 o 120.590 2.7330  1953.46   88.270    1970.76   124.654   1936.07   125.013   121.127 3.8421  120.052 3.8877  1.074860       5.465943 
1 1 1 3   0   25 o 112.873 2.5440  1710.84   76.907    1685.10   108.459   1736.88   109.069   112.017 3.6149  113.728 3.5805  -1.710953      5.087963 
1 1 1 3   0   26 f 70.455  2.0778  665.973   39.200    644.331   55.038    688.255   55.846    69.292  2.9654  71.618  2.9112  -2.325531      4.155605 
1 1 1 3   0   27 o 108.761 2.5088  1589.55   73.080    1564.83   103.092   1614.51   103.612   107.910 3.5668  109.613 3.5290  -1.703369      5.017568 
1 1 1 3   0   28 o 62.193  1.9971  519.579   33.181    471.267   46.457    569.889   47.408    59.235  2.9281  65.152  2.7167  -5.916866      3.994272 
1 1 1 3   0   29 o 159.918 4.1491  3453.05   166.841   3408.81   203.012   3545.09   292.841   158.751 4.7743  161.084 6.7872  -2.332581      8.298220 
1 1 1 3   0   30 o 107.161 2.5063  1548.92   71.938    1553.64   101.523   1544.16   101.949   107.328 3.5315  106.994 3.5574  0.3333511      5.012660 
1 1 1 3   0   31 o 85.137  2.2517  978.137   51.344    985.994   72.428    970.201   72.795    85.485  3.1632  84.789  3.2053  0.6958160      4.503342 
1 1 1 3   0   32 o 68.509  2.0902  635.058   38.264    683.022   54.001    586.691   54.228    71.135  2.8342  65.883  3.0730  5.252068       4.180430 
1 1 1 3   0   33 o 41.439  1.9219  233.487   21.162    249.853   29.795    216.826   30.062    42.936  2.6032  39.942  2.8283  2.993771       3.843898 
1 1 1 3   0   34 o 27.188  2.0913  101.762   14.900    112.224   21.011    91.178    21.133    28.654  2.7723  25.722  3.1320  2.931267       4.182678 
1 1 1 3   0   35 o 18.915  2.5326  50.851    12.284    36.938    17.099    65.693    17.661    16.076  3.9898  21.754  3.1204  -5.677896      5.065104 
1 1 1 3   0   36 o 24.094  2.6681  78.714    16.209    95.245    26.967    69.363    20.281    25.967  4.0061  22.221  3.5252  3.745504       5.336279 
1 1 1 3   0   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   0   38 f 29.260  2.6131  118.815   19.307    130.025   32.346    112.610   24.065    30.142  4.1139  28.377  3.2232  1.764477       5.226231 
1 1 1 3   0   39 o 20.888  3.2685  69.275    17.047    52.176    29.801    77.590    20.783    18.440  5.5667  23.335  3.4272  -4.894875      6.537093 
1 1 1 3   0   40 o 11.619  3.1218  15.942    12.984    10.895    23.286    18.219    15.641    11.586  4.7341  11.652  4.0708  -0.6599045E-01 6.243663 
1 1 1 3   0   41 o 19.893  3.3793  59.993    16.834    67.335    30.094    56.650    20.309    20.395  5.4173  19.391  4.0412  1.004175       6.758613 
1 1 1 3   0   42 o 29.966  2.8835  127.729   21.435    158.772   37.890    113.120   25.993    32.173  4.5218  27.760  3.5792  4.412472       5.766918 
1 1 1 3   0   43 o 47.949  2.5946  333.139   31.747    359.035   53.426    319.005   39.471    48.802  4.1259  47.096  3.1471  1.706005       5.189167 
1 1 1 3   0   44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   0   45 o 8.7574  2.9024  -10.7198  14.084    -2.7356   29.324    -13.1138  16.057    10.487  4.7694  7.0278  3.3087  3.459215       5.804725 
1 1 1 3   1   0  o 322.695 6.0396  13993.00  521.961   13739.97  737.752   14246.58  738.576   319.765 8.6137  325.625 8.4682  -5.860077      12.07915 
1 1 1 3   1   1  o 555.159 10.172  41664.34  1512.36   42368.18  2139.47   40961.39  2138.12   559.888 14.266  550.431 14.502  9.457336       20.34336 
1 1 1 3   1   2  o 159.686 3.2090  3420.16   137.123   3244.77   193.791   3596.02   194.052   155.580 4.6504  163.792 4.4232  -8.212067      6.418014 
1 1 1 3   1   3  o 213.819 4.0984  6132.27   234.687   6252.54   331.999   6012.15   331.796   215.918 5.7406  211.721 5.8509  4.197205       8.196793 
1 1 1 3   1   4  o 325.304 6.0768  14217.25  529.419   14478.88  748.865   13955.83  748.559   328.306 8.5160  322.303 8.6711  6.002502       12.15360 
1 1 1 3   1   5  o 52.105  1.6953  363.751   23.652    352.751   33.438    374.766   33.461    51.316  2.4327  52.893  2.3618  -1.577381      3.390629 
1 1 1 3   1   6  o 41.069  1.5897  226.608   17.421    225.657   24.611    227.563   24.662    40.982  2.2507  41.156  2.2457  -0.1736107     3.179407 
1 1 1 3   1   7  f 222.689 4.2969  6650.40   256.275   6749.49   362.452   6551.35   362.403   224.350 6.0317  221.028 6.1215  3.321838       8.593789 
1 1 1 3   1   8  o 327.872 6.1088  14433.39  536.455   14276.08  758.462   14590.86  758.862   326.080 8.6840  329.664 8.5941  -3.583893      12.21766 
1 1 1 3   1   9  o 242.343 4.6238  7876.79   300.107   7747.17   424.232   8006.64   424.600   240.345 6.5899  244.342 6.4877  -3.997009      9.247568 
1 1 1 3   1   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   1   11 o 202.745 3.9250  5510.23   213.142   5477.03   301.304   5543.48   301.554   202.133 5.5652  203.357 5.5363  -1.223587      7.849924 
1 1 1 3   1   12 o 459.683 8.4576  28420.87  1041.26   27997.05  1472.08   28845.24  1473.04   456.240 12.046  463.127 11.875  -6.887573      16.91511 
1 1 1 3   1   13 o 494.851 9.0945  32961.86  1205.05   31993.75  1703.29   33932.06  1705.12   487.540 13.043  502.162 12.677  -14.62115      18.18896 
1 1 1 3   1   14 o 363.190 6.8101  17718.14  662.425   18005.07  936.852   17431.25  936.768   366.140 9.5529  360.241 9.7085  5.898621       13.62027 
1 1 1 3   1   15 o 531.249 9.7961  38056.56  1393.83   37505.60  1970.53   38608.24  1971.81   527.376 13.950  535.122 13.757  -7.746643      19.59223 
1 1 1 3   1   16 o 134.556 2.8921  2426.72   104.222   2462.40   147.265   2390.92   147.520   135.548 4.0562  133.565 4.1236  1.983414       5.784142 
1 1 1 3   1   17 o 113.897 2.5557  1738.77   77.952    1696.92   110.028   1780.95   110.454   112.520 3.6508  115.274 3.5774  -2.754082      5.111331 
1 1 1 3   1   18 o 205.908 4.0384  5693.44   222.723   5695.87   314.833   5691.00   315.124   205.952 5.7072  205.863 5.7150  0.8868408E-01  8.076706 
1 1 1 3   1   19 f 120.579 2.6606  1950.43   85.919    1983.72   121.380   1916.99   121.636   121.612 3.7263  119.545 3.7987  2.066612       5.321272 
1 1 1 3   1   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   1   21 o 237.201 4.5794  7585.67   290.946   7547.10   411.247   7624.32   411.674   236.594 6.4895  237.807 6.4631  -1.213776      9.158860 
1 1 1 3   1   22 o 138.238 2.9489  2568.09   109.131   2660.76   154.264   2475.25   154.405   140.743 4.0921  135.732 4.2471  5.010468       5.897725 
1 1 1 3   1   23 o 99.789  2.4090  1336.86   64.373    1368.20   90.911    1305.34   91.164    100.965 3.3617  98.613  3.4514  2.352592       4.818007 
1 1 1 3   1   24 o 58.190  1.9610  454.185   30.563    452.963   43.050    455.426   43.398    58.112  2.7658  58.269  2.7806  -0.1572876     3.921924 
1 1 1 3   1   25 o 106.889 2.4803  1534.18   71.001    1501.69   100.132   1567.04   100.692   105.748 3.5352  108.029 3.4799  -2.280869      4.960542 
1 1 1 3   1   26 o 147.319 3.0858  2920.23   121.759   2941.65   172.014   2898.71   172.372   147.864 4.3432  146.774 4.3846  1.089523       6.171563 
1 1 1 3   1   27 o 80.809  2.1848  877.687   47.243    920.830   66.713    834.289   66.910    82.809  3.0078  78.810  3.1697  3.998901       4.369627 
1 1 1 3   1   28 o 48.647  1.9196  318.769   24.911    313.958   35.015    323.699   35.448    48.273  2.7191  49.020  2.7103  -0.7465477     3.839205 
1 1 1 3   1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   1   30 o 90.421  2.2848  1102.30   55.334    1094.31   77.931    1110.43   78.583    90.090  3.2296  90.751  3.2329  -0.6605453     4.569623 
1 1 1 3   1   31 o 59.182  2.0067  472.389   31.803    481.246   44.849    463.430   45.105    59.745  2.8026  58.619  2.8727  1.126236       4.013388 
1 1 1 3   1   32 o 111.348 2.6134  1685.48   77.940    1702.43   110.124   1668.47   110.323   111.919 3.6736  110.777 3.7181  1.141708       5.226839 
1 1 1 3   1   33 o 31.840  1.9715  138.255   16.625    138.966   23.017    137.480   24.040    31.941  2.7161  31.740  2.8584  0.2011681      3.943096 
1 1 1 3   1   34 o 33.190  2.0014  150.497   17.590    139.675   24.697    161.638   25.058    31.950  2.9181  34.430  2.7399  -2.479670      4.002777 
1 1 1 3   1   35 o 15.357  2.7740  33.775    11.500    37.795    16.125    29.615    16.404    16.270  3.7734  14.443  4.0673  1.826913       5.548080 
1 1 1 3   1   36 o 33.377  2.0549  153.207   18.171    159.343   25.620    146.995   25.778    34.076  2.8326  32.678  2.9778  1.397606       4.109869 
1 1 1 3   1   37 o 54.094  2.9169  402.180   42.107    0.0000    0.0000    402.180   42.107    ?       ?       54.094  2.9169  ?              ?        
1 1 1 3   1   38 o 17.842  2.7417  46.075    12.701    42.261    17.209    50.638    18.823    17.024  3.8625  18.659  3.8922  -1.634457      5.483456 
1 1 1 3   1   39 o 18.629  3.2343  57.446    16.303    31.655    28.230    70.350    19.969    15.122  5.4508  22.135  3.4832  -7.012702      6.468665 
1 1 1 3   1   40 o 12.362  3.2251  19.305    13.268    20.451    24.340    18.821    15.826    12.970  4.9834  11.754  4.0954  1.215302       6.450294 
1 1 1 3   1   41 o 20.924  3.4269  67.939    17.800    71.387    31.902    66.381    21.449    20.812  5.6000  21.037  3.9517  -0.2250767     6.853858 
1 1 1 3   1   42 o 25.861  3.2261  102.525   20.113    106.867   35.651    100.499   24.359    25.596  5.3714  26.126  3.5748  -0.5300732     6.452188 
1 1 1 3   1   43 o 19.424  6.8186  70.833    43.909    70.833    43.909    0.0000    0.0000    19.424  6.8186  ?       ?       ?              ?        
1 1 1 3   1   44 o 12.280  3.5341  14.580    15.651    32.795    33.070    9.3218    17.767    14.510  5.7402  10.049  4.1241  4.460266       7.068123 
1 1 1 3   1   45 o 18.779  3.8649  58.967    18.989    85.485    36.157    48.868    22.313    20.775  6.0983  16.782  4.7499  3.993105       7.729837 
1 1 1 3   2   0  o 794.854 14.815  86293.89  3151.85   82440.13  4454.55   90157.48  4460.23   776.740 21.411  812.969 20.483  -36.22900      29.63091 
1 1 1 3   2   1  o 147.479 3.0124  2915.19   118.995   2935.11   168.308   2895.27   168.261   147.983 4.2462  146.974 4.2742  1.008469       6.024879 
1 1 1 3   2   2  f 487.488 8.9525  32050.29  1168.60   31132.13  1652.03   32969.83  1653.27   480.453 12.837  494.524 12.481  -14.07162      17.90496 
1 1 1 3   2   3  o 139.728 2.8766  2616.56   107.656   2641.67   152.266   2591.47   152.230   140.398 4.0490  139.057 4.0871  1.341110       5.753211 
1 1 1 3   2   4  o 190.234 3.7132  4852.52   189.165   4736.05   267.445   4969.13   267.595   187.947 5.3126  192.521 5.1893  -4.574173      7.426498 
1 1 1 3   2   5  o 368.772 6.8375  18277.06  675.364   18394.72  955.157   18159.42  955.062   369.963 9.6389  367.581 9.7004  2.382050       13.67502 
1 1 1 3   2   6  o 45.358  1.6281  276.019   19.738    283.351   27.888    268.658   27.941    45.993  2.2637  44.723  2.3407  1.269878       3.256258 
1 1 1 3   2   7  o 128.006 2.7074  2195.62   92.815    2158.03   131.192   2233.30   131.330   126.908 3.8595  129.104 3.7978  -2.195244      5.414701 
1 1 1 3   2   8  o 233.094 4.4681  7286.16   278.946   7377.22   394.530   7195.14   394.448   234.552 6.2799  231.636 6.3576  2.916397       8.936234 
1 1 1 3   2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   2   10 o 556.707 10.237  41774.30  1526.24   42506.45  2158.95   41042.86  2157.92   561.614 14.352  551.800 14.600  9.813660       20.47326 
1 1 1 3   2   11 o 351.437 6.5244  16587.90  613.818   15939.77  867.509   17237.71  868.630   344.543 9.4003  358.331 9.0503  -13.78732      13.04887 
1 1 1 3   2   12 o 93.045  2.1925  1159.81   54.636    1141.06   77.211    1178.62   77.324    92.292  3.1234  93.799  3.0777  -1.507088      4.384971 
1 1 1 3   2   13 o 211.512 4.0443  5997.50   229.109   5923.36   323.842   6071.79   324.178   210.202 5.7518  212.822 5.6869  -2.619736      8.088575 
1 1 1 3   2   14 o 619.833 11.444  51908.60  1899.80   52668.86  2687.21   51148.89  2686.24   624.409 16.067  615.256 16.300  9.153320       22.88805 
1 1 1 3   2   15 o 147.177 2.9811  2903.52   117.474   2807.31   165.896   3000.29   166.372   144.729 4.2795  149.624 4.1513  -4.895065      5.962193 
1 1 1 3   2   16 o 240.667 4.6734  7775.61   301.225   7914.80   425.962   7636.38   426.030   242.827 6.5491  238.508 6.6688  4.319168       9.346891 
1 1 1 3   2   17 o 299.258 5.7452  12051.80  460.505   12107.01  651.141   11996.56  651.363   299.947 8.1048  298.569 8.1450  1.378540       11.49034 
1 1 1 3   2   18 f 246.087 4.7090  8146.46   310.382   8195.53   438.787   8097.31   439.105   246.832 6.6369  245.341 6.6820  1.490906       9.417938 
1 1 1 3   2   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   2   20 o 71.620  1.9898  687.771   38.169    679.502   53.858    696.113   54.101    71.188  2.8246  72.053  2.8032  -0.8655319     3.979525 
1 1 1 3   2   21 o 317.979 6.0551  13709.77  515.690   13856.57  729.226   13562.91  729.366   319.703 8.5158  316.254 8.6103  3.448761       12.11019 
1 1 1 3   2   22 o 195.680 3.8502  5156.23   201.794   5180.35   285.192   5132.06   285.567   196.141 5.4285  195.218 5.4613  0.9227905      7.700316 
1 1 1 3   2   23 o 175.472 3.4932  4143.39   164.180   4119.46   231.962   4167.42   232.410   174.962 4.9498  175.981 4.9306  -1.018661      6.986472 
1 1 1 3   2   24 o 177.098 3.5635  4222.44   169.037   4220.45   238.884   4224.42   239.225   177.057 5.0371  177.139 5.0420  -0.8227539E-01 7.127028 
1 1 1 3   2   25 o 160.604 3.3300  3472.69   143.203   3572.83   202.448   3372.41   202.592   162.934 4.6389  158.274 4.7789  4.659775       6.660072 
1 1 1 3   2   26 o 60.829  1.9667  496.836   31.992    461.761   45.007    532.658   45.485    58.654  2.8648  63.004  2.6953  -4.350025      3.933402 
1 1 1 3   2   27 o 141.252 3.0328  2688.93   114.724   2627.50   161.997   2750.74   162.494   139.625 4.3317  142.879 4.2460  -3.254730      6.065620 
1 1 1 3   2   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   2   29 o 117.924 2.6809  1877.68   84.667    1839.86   119.495   1915.81   119.981   116.724 3.8221  119.124 3.7603  -2.400673      5.361747 
1 1 1 3   2   30 f 51.786  1.9123  361.796   26.361    322.050   36.820    403.595   37.759    48.811  2.8284  54.760  2.5743  -5.949135      3.824499 
1 1 1 3   2   31 o 73.591  2.1125  731.673   41.611    696.582   58.535    767.522   59.164    71.795  3.0439  75.387  2.9300  -3.592087      4.224964 
1 1 1 3   2   32 o 38.449  1.9585  200.742   20.029    195.931   27.930    205.835   28.737    37.973  2.7650  38.924  2.7745  -0.9510384     3.917081 
1 1 1 3   2   33 o 37.609  1.9456  192.566   19.459    194.738   27.316    190.328   27.726    37.834  2.7136  37.384  2.7890  0.4493599      3.891299 
1 1 1 3   2   34 o 24.815  2.2371  85.675    14.397    96.089    20.180    74.882    20.545    26.446  2.8963  23.184  3.4103  3.261349       4.474214 
1 1 1 3   2   35 o 11.021  2.6720  14.385    10.067    5.2934    14.478    22.896    14.009    9.2517  3.7508  12.790  3.8067  -3.538255      5.344095 
1 1 1 3   2   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   2   37 o 26.269  2.4316  99.599    15.958    128.426   22.431    70.057    22.707    30.493  2.7769  22.046  3.9924  8.446468       4.863152 
1 1 1 3   2   38 o 11.022  2.5733  12.454    10.502    29.745    14.714    -5.5046   14.995    14.267  3.7871  7.7769  3.4849  6.490230       5.146574 
1 1 1 3   2   39 o 27.672  2.3045  109.045   16.701    116.010   23.433    101.854   23.809    28.655  3.1026  26.689  3.4085  1.966349       4.609095 
1 1 1 3   2   40 o 39.950  2.1436  226.002   22.725    235.926   31.796    215.639   32.492    40.927  2.9196  38.972  3.1393  1.955837       4.287138 
1 1 1 3   2   41 o 15.345  3.4562  39.065    16.411    15.917    33.284    46.499    18.863    13.257  5.5598  17.433  4.1072  -4.176168      6.912337 
1 1 1 3   2   42 o 12.884  2.9390  22.370    15.559    -33.9666  29.303    44.491    18.362    8.7811  4.2259  16.987  4.0856  -8.205832      5.877945 
1 1 1 3   2   43 o 12.210  3.3806  19.600    15.504    5.4207    31.648    24.078    17.784    11.772  5.1801  12.649  4.3451  -0.8771162     6.761160 
1 1 1 3   2   44 o 11.555  3.2517  16.357    16.188    -14.5636  32.105    26.898    18.745    10.103  4.7318  13.006  4.4614  -2.903134      6.503387 
1 1 1 3   3   0  o 319.489 5.9582  13711.48  509.853   13836.58  720.961   13586.32  721.122   320.951 8.3866  318.027 8.4656  2.924652       11.91639 
1 1 1 3   3   1  o 113.592 2.5032  1729.02   76.154    1701.26   107.650   1756.82   107.745   112.678 3.5668  114.505 3.5131  -1.826126      5.006385 
1 1 1 3   3   2  o 112.739 2.4585  1703.02   74.238    1703.51   105.023   1702.53   104.955   112.755 3.4774  112.723 3.4762  0.3231049E-01  4.916932 
1 1 1 3   3   3  o 311.917 5.8193  13063.83  486.183   13100.79  687.721   13026.90  687.414   312.359 8.2199  311.475 8.2396  0.8841553      11.63867 
1 1 1 3   3   4  o 221.370 4.2453  6577.56   251.345   6155.52   355.119   7001.21   355.793   214.238 6.1885  228.501 5.8133  -14.26221      8.490696 
1 1 1 3   3   5  o 95.535  2.2081  1222.80   56.498    1203.45   79.873    1242.18   79.927    94.778  3.1463  96.292  3.0989  -1.513550      4.416191 
1 1 1 3   3   6  o 357.549 6.6496  17171.77  636.799   17355.39  900.689   16988.25  900.450   359.465 9.3547  355.632 9.4530  3.833282       13.29922 
1 1 1 3   3   7  o 116.158 2.5445  1807.92   79.155    1842.81   111.919   1773.01   111.965   117.279 3.5628  115.036 3.6338  2.243340       5.089004 
1 1 1 3   3   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   3   9  o 533.231 9.7910  38301.25  1398.37   38024.03  1977.30   38578.64  1977.88   531.290 13.895  535.172 13.798  -3.882202      19.58191 
1 1 1 3   3   10 o 424.876 7.8378  24264.01  891.932   24015.16  1261.11   24513.07  1261.65   422.689 11.139  427.064 11.030  -4.374664      15.67568 
1 1 1 3   3   11 f 213.428 4.0932  6106.55   233.978   6178.52   330.876   6034.55   330.914   214.687 5.7540  212.169 5.8230  2.518509       8.186301 
1 1 1 3   3   12 o 220.578 4.2336  6525.18   249.985   6262.28   353.213   6789.02   353.853   216.121 6.1017  225.036 5.8706  -8.915009      8.467271 
1 1 1 3   3   13 o 163.492 3.2741  3582.36   143.369   3623.37   202.727   3541.33   202.783   164.429 4.6030  162.555 4.6574  1.873474       6.548211 
1 1 1 3   3   14 o 246.456 4.6564  8148.78   307.331   7976.57   434.399   8321.36   434.865   243.845 6.6510  249.068 6.5185  -5.222610      9.312711 
1 1 1 3   3   15 o 284.723 5.3843  10887.97  410.594   11027.97  580.683   10747.99  580.651   286.559 7.5655  282.888 7.6632  3.671295       10.76855 
1 1 1 3   3   16 o 207.106 3.9829  5756.98   220.923   5845.40   312.402   5668.52   312.464   208.700 5.5886  205.511 5.6764  3.188690       7.965810 
1 1 1 3   3   17 o 62.650  1.8695  526.006   31.370    526.707   44.224    525.297   44.506    62.693  2.6336  62.608  2.6540  0.8430099E-01  3.738936 
1 1 1 3   3   18 o 156.258 4.5380  3285.06   189.888   3247.69   265.113   3324.43   272.108   155.352 6.3713  157.165 6.4639  -1.813736      9.076084 
1 1 1 3   3   19 f 194.880 3.8516  5108.14   201.029   5185.97   284.202   5030.21   284.393   196.372 5.4033  193.388 5.4904  2.984558       7.703202 
1 1 1 3   3   20 o 27.888  1.7845  105.128   13.167    98.540    18.488    111.907   18.756    26.987  2.5895  28.788  2.4559  -1.801035      3.568925 
1 1 1 3   3   21 o 116.705 2.5819  1829.65   80.632    1919.60   113.936   1739.41   114.126   119.588 3.5570  113.823 3.7434  5.764977       5.163844 
1 1 1 3   3   22 f 108.691 2.5184  1586.08   73.312    1604.34   103.553   1567.72   103.805   109.321 3.5365  108.062 3.5864  1.258484       5.036739 
1 1 1 3   3   23 o 145.650 3.1168  2852.16   121.582   2800.43   171.679   2904.21   172.207   144.321 4.4412  146.979 4.3743  -2.658539      6.233660 
1 1 1 3   3   24 o 57.083  1.9430  437.063   29.706    430.363   41.820    443.888   42.205    56.641  2.7565  57.525  2.7391  -0.8837051     3.886038 
1 1 1 3   3   25 o 123.296 2.7219  2043.62   89.879    2075.32   126.958   2011.77   127.260   124.259 3.8146  122.333 3.8838  1.925323       5.443792 
1 1 1 3   3   26 o 150.812 3.1571  3064.70   127.527   3087.04   180.224   3042.28   180.476   151.366 4.4452  150.257 4.4843  1.109375       6.314207 
1 1 1 3   3   27 o 48.853  1.9291  321.589   25.107    299.887   35.231    343.982   35.788    47.165  2.8014  50.541  2.6529  -3.375992      3.858236 
1 1 1 3   3   28 o 124.457 2.8085  2091.69   93.584    2162.05   132.384   2021.41   132.313   126.566 3.9051  122.347 4.0376  4.218567       5.617071 
1 1 1 3   3   29 o 48.472  1.9110  317.038   24.707    308.688   34.569    325.757   35.324    47.817  2.7102  49.127  2.6948  -1.310493      3.821929 
1 1 1 3   3   30 o 18.159  2.4053  46.075    11.252    40.566    15.786    51.766    16.044    16.997  3.5805  19.322  3.2128  -2.325630      4.810618 
1 1 1 3   3   31 o 24.183  2.0915  80.248    13.256    77.102    18.714    83.417    18.780    23.689  3.0180  24.678  2.8963  -0.9890728     4.182954 
1 1 1 3   3   32 o 26.745  2.1201  98.647    14.779    112.554   20.888    84.707    20.912    28.716  2.7494  24.775  3.2281  3.940527       4.240234 
1 1 1 3   3   33 o 47.929  1.9740  312.375   25.224    309.004   35.183    315.941   36.183    47.669  2.7675  48.190  2.8155  -0.5210381     3.947907 
1 1 1 3   3   34 o 9.7684  2.6059  9.0186    9.4592    4.3672    13.016    14.225    13.770    8.7259  3.5495  10.811  3.8164  -2.085009      5.211886 
1 1 1 3   3   35 f 58.405  2.0663  466.137   32.265    465.111   45.194    467.204   46.079    58.386  2.8899  58.424  2.9542  -0.3725052E-01 4.132635 
1 1 1 3   3   36 o 33.540  2.1013  155.163   18.599    137.316   25.743    174.652   26.900    31.468  3.0942  35.611  2.8439  -4.142967      4.202623 
1 1 1 3   3   37 o 21.824  2.5895  68.220    14.598    66.302    20.498    70.194    20.795    21.494  3.6934  22.153  3.6304  -0.6585426     5.178923 
1 1 1 3   3   38 o 12.036  2.7287  19.001    10.897    31.300    15.199    5.9911    15.632    14.580  3.8390  9.4919  3.8787  5.088293       5.457306 
1 1 1 3   3   39 o 23.819  2.5641  83.000    15.592    99.954    22.203    66.502    21.901    26.481  3.1949  21.158  4.0113  5.322357       5.128134 
1 1 1 3   3   40 o 10.862  2.7154  9.7896    11.480    -7.6697   15.656    30.097    16.884    7.6212  3.4733  14.104  4.1750  -6.482405      5.430868 
1 1 1 3   3   41 o 17.048  3.0724  45.272    14.098    48.507    19.637    41.832    20.252    17.746  4.1971  16.351  4.4880  1.395081       6.144719 
1 1 1 3   3   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   3   43 o 12.501  3.0760  23.606    12.659    20.712    17.693    26.641    18.120    11.930  4.3129  13.073  4.3869  -1.142589      6.151939 
1 1 1 3   4   0  o 122.807 2.6372  2021.29   86.727    2067.47   122.493   1974.87   122.808   124.215 3.6817  121.400 3.7768  2.815269       5.274354 
1 1 1 3   4   1  o 285.703 5.3758  10956.44  411.359   11105.54  581.817   10807.40  581.681   287.651 7.5515  283.755 7.6534  3.895752       10.75169 
1 1 1 3   4   2  f 103.244 2.3390  1428.87   64.625    1499.84   91.485    1358.18   91.304    105.806 3.2281  100.683 3.3857  5.122673       4.677982 
1 1 1 3   4   3  o 103.865 2.3362  1445.43   64.982    1479.71   92.021    1411.33   91.778    105.093 3.2690  102.636 3.3385  2.457893       4.672485 
1 1 1 3   4   4  o 125.313 2.6617  2104.18   89.333    2077.22   126.412   2131.07   126.260   124.510 3.7905  126.115 3.7378  -1.604446      5.323389 
1 1 1 3   4   5  o 535.821 9.8617  38698.49  1414.97   39731.70  2001.87   37666.93  2000.26   543.013 13.764  528.629 14.127  14.38403       19.72333 
1 1 1 3   4   6  o 646.497 16.946  57008.68  2933.30   55095.65  4144.72   58928.36  4151.91   635.440 24.352  657.553 23.574  -22.11310      33.89294 
1 1 1 3   4   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   4   8  o 450.683 8.2747  27315.50  998.757   27805.28  1412.72   26826.10  1412.19   454.738 11.599  446.628 11.805  8.110809       16.54935 
1 1 1 3   4   9  o 410.747 7.5610  22670.18  831.838   22559.56  1176.23   22780.87  1176.56   409.741 10.718  411.753 10.668  -2.011261      15.12199 
1 1 1 3   4   10 o 322.274 5.9599  13943.93  514.081   14574.78  727.476   13314.65  726.567   329.573 8.2410  314.975 8.6121  14.59738       11.91983 
1 1 1 3   4   11 o 318.322 5.9083  13598.15  503.751   13572.22  712.324   13624.10  712.499   318.017 8.3625  318.626 8.3486  -0.6083374     11.81657 
1 1 1 3   4   12 o 40.236  1.7599  217.754   18.866    223.087   26.597    212.354   26.766    40.736  2.4490  39.735  2.5280  1.000954       3.519721 
1 1 1 3   4   13 o 168.908 3.4134  3824.30   154.420   3871.67   218.306   3776.86   218.460   169.956 4.7956  167.860 4.8589  2.095749       6.826887 
1 1 1 3   4   14 o 275.986 5.2318  10227.41  386.703   10400.35  546.910   10054.51  546.852   278.325 7.3363  273.647 7.4609  4.678314       10.46353 
1 1 1 3   4   15 o 296.692 5.5963  11835.79  444.719   11758.22  628.740   11913.44  629.116   295.716 7.9379  297.668 7.8906  -1.952484      11.19252 
1 1 1 3   4   16 o 359.760 6.7228  17469.71  647.761   17209.84  915.723   17729.97  916.421   357.062 9.5748  362.458 9.4395  -5.395660      13.44550 
1 1 1 3   4   17 o 167.133 3.4292  3752.85   153.388   3929.07   216.984   3576.83   216.863   171.068 4.7356  163.199 4.9611  7.868271       6.858418 
1 1 1 3   4   18 o 268.391 7.3387  9795.85   527.141   9397.40   748.119   10188.75  742.888   262.873 10.625  273.909 10.126  -11.03583      14.67740 
1 1 1 3   4   19 o 33.153  1.7348  148.205   15.278    139.780   21.535    156.743   21.678    32.193  2.5175  34.112  2.3876  -1.919579      3.469656 
1 1 1 3   4   20 o 219.255 4.3119  6479.41   253.220   6511.82   357.966   6446.95   358.250   219.808 6.0801  218.702 6.1157  1.105820       8.623716 
1 1 1 3   4   21 o 74.866  2.1003  752.906   42.037    804.359   59.353    701.120   59.545    77.440  2.8615  72.291  3.0752  5.148819       4.200553 
1 1 1 3   4   22 o 47.373  1.9125  301.929   24.164    300.085   33.860    303.843   34.495    47.227  2.6879  47.520  2.7215  -0.2931366     3.825061 
1 1 1 3   4   23 o 112.198 2.5692  1690.82   77.191    1726.61   108.943   1654.75   109.388   113.394 3.5869  111.001 3.6792  2.392593       5.138320 
1 1 1 3   4   24 o 87.477  2.2632  1027.52   52.982    973.367   74.597    1082.64   75.263    85.146  3.2709  89.808  3.1288  -4.661995      4.526383 
1 1 1 3   4   25 o 176.037 3.6126  4181.04   170.319   4098.37   240.576   4264.11   241.159   174.281 5.1536  177.793 5.0641  -3.511993      7.225284 
1 1 1 3   4   26 f 64.314  2.0000  555.601   34.420    523.851   48.360    588.199   49.002    62.448  2.8912  66.181  2.7643  -3.732952      4.000094 
1 1 1 3   4   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   4   28 o 162.032 3.3644  3564.33   146.014   3539.40   206.295   3589.36   206.697   161.459 4.7702  162.605 4.7458  -1.146835      6.728857 
1 1 1 3   4   29 f 35.744  1.9007  173.031   18.038    161.573   25.281    184.912   25.744    34.522  2.7570  36.966  2.6170  -2.444756      3.801302 
1 1 1 3   4   30 o 84.307  2.2682  962.103   51.205    983.885   72.245    940.116   72.585    85.278  3.1629  83.335  3.2518  1.942459       4.536337 
1 1 1 3   4   31 o 45.715  1.9329  283.582   23.546    294.099   33.314    273.083   33.285    46.576  2.6817  44.854  2.7843  1.722065       3.865731 
1 1 1 3   4   32 o 30.257  2.0260  125.575   16.138    138.387   22.749    112.596   22.896    31.865  2.6905  28.648  3.0298  3.216898       4.051989 
1 1 1 3   4   33 o 36.618  2.0449  184.844   19.617    216.691   27.650    152.564   27.837    39.910  2.6008  33.325  3.1563  6.585274       4.089743 
1 1 1 3   4   34 o 45.111  2.0231  278.119   24.310    268.612   34.115    287.928   34.651    44.316  2.8899  45.906  2.8319  -1.590618      4.046126 
1 1 1 3   4   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   4   36 o 14.156  2.7148  28.197    11.499    44.521    16.316    12.085    16.210    17.595  3.5837  10.717  4.0789  6.878647       5.429550 
1 1 1 3   4   37 o 22.152  2.5014  70.577    14.277    75.731    19.809    65.006    20.595    23.105  3.2941  21.198  3.7652  1.907007       5.002814 
1 1 1 3   4   38 o 24.225  2.4749  84.393    15.586    82.298    21.635    86.654    22.473    23.918  3.4791  24.533  3.5209  -0.6152954     4.949828 
1 1 1 3   4   39 o 12.837  2.8880  23.302    12.049    35.149    16.595    10.093    17.523    15.264  4.0079  10.410  4.1593  4.853323       5.776057 
1 1 1 3   4   40 o 7.3909  2.3480  -4.7614   9.7014    -6.0155   13.691    -3.4967   13.749    7.2297  3.2767  7.5522  3.3639  -0.3224554     4.696010 
1 1 1 3   4   41 o 8.2642  2.4657  -6.8515   10.930    -27.9060  15.509    13.924    15.406    5.9106  2.8961  10.618  3.9914  -4.707173      4.931349 
1 1 1 3   4   42 o 18.123  3.0121  52.074    14.728    35.643    20.580    69.323    21.086    14.908  4.6497  21.338  3.8302  -6.429646      6.024144 
1 1 1 3   4   43 o 16.354  3.1474  44.564    15.042    61.738    21.091    26.789    21.458    19.658  4.1367  13.050  4.7448  6.607850       6.294830 
1 1 1 3   5   0  o 202.602 3.9279  5503.40   213.155   5491.28   301.204   5515.55   301.690   202.379 5.5566  202.826 5.5533  -0.4467163     7.855835 
1 1 1 3   5   1  o 250.132 4.7496  8392.38   318.207   8372.83   449.928   8411.95   450.098   249.840 6.7235  250.423 6.7103  -0.5837097     9.499123 
1 1 1 3   5   2  o 268.702 5.0535  9686.29   363.706   9630.45   514.365   9742.12   514.351   267.926 7.1675  269.478 7.1260  -1.551483      10.10708 
1 1 1 3   5   3  o 457.084 8.4307  28110.89  1032.13   27872.38  1459.56   28349.46  1459.76   455.135 11.973  459.032 11.873  -3.896423      16.86136 
1 1 1 3   5   4  o 394.846 7.3016  20960.06  771.579   21961.66  1092.11   19961.88  1090.25   404.299 10.085  385.392 10.562  18.90656       14.60328 
1 1 1 3   5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   5   6  o 549.474 10.130  40687.22  1490.89   40341.42  2108.26   41033.14  2108.62   547.124 14.386  551.824 14.266  -4.699341      20.26058 
1 1 1 3   5   7  o 318.700 5.9605  13631.19  508.806   13547.51  719.483   13714.92  719.637   317.720 8.4545  319.681 8.4044  -1.960938      11.92110 
1 1 1 3   5   8  o 553.539 10.190  41283.36  1510.64   42127.29  2136.98   40440.39  2135.76   559.226 14.267  547.851 14.555  11.37585       20.38075 
1 1 1 3   5   9  f 339.217 6.3099  15446.01  573.250   15181.44  810.413   15710.95  810.982   336.303 8.9968  342.130 8.8497  -5.827362      12.61982 
1 1 1 3   5   10 o 229.169 4.4619  7042.11   273.854   7155.41   387.320   6928.85   387.256   231.014 6.2595  227.324 6.3601  3.690948       8.923715 
1 1 1 3   5   11 o 175.049 3.4586  4107.03   162.152   4165.53   229.356   4048.56   229.279   176.296 4.8571  173.801 4.9252  2.494751       6.917288 
1 1 1 3   5   12 f 513.718 9.5339  35579.87  1311.79   35980.27  1855.40   35179.68  1854.90   516.626 13.408  510.809 13.557  5.817383       19.06777 
1 1 1 3   5   13 o 381.861 7.1142  19619.63  727.614   19836.08  1029.09   19403.26  1028.91   383.977 10.006  379.746 10.116  4.231262       14.22841 
1 1 1 3   5   14 o 278.260 5.2620  10407.43  392.046   10728.09  554.597   10087.14  554.277   282.560 7.3279  273.961 7.5535  8.599121       10.52394 
1 1 1 3   5   15 o 36.101  1.7344  175.439   16.671    177.518   23.605    173.371   23.548    36.317  2.4408  35.886  2.4648  0.4304390      3.468807 
1 1 1 3   5   16 o 91.563  2.1962  1124.05   53.849    1091.12   75.959    1157.32   76.350    90.214  3.1435  92.913  3.0679  -2.698814      4.392474 
1 1 1 3   5   17 o 93.351  4.4679  1170.16   111.715   0.0000    0.0000    1170.16   111.715   ?       ?       93.351  4.4679  ?              ?        
1 1 1 3   5   18 o 15.885  2.0963  34.931    8.5898    35.035    12.268    34.831    12.031    15.905  2.9895  15.864  2.9396  0.4026031E-01  4.192697 
1 1 1 3   5   19 o 167.042 3.3771  3751.20   151.099   3755.03   213.517   3747.34   213.855   167.129 4.7697  166.956 4.7822  0.1728516      6.754240 
1 1 1 3   5   20 o 53.325  1.8952  382.256   26.979    403.775   38.057    360.516   38.252    54.875  2.5892  51.774  2.7684  3.100933       3.790486 
1 1 1 3   5   21 o 91.930  2.3433  1134.17   57.700    1131.11   81.426    1137.27   81.775    91.806  3.3114  92.055  3.3165  -0.2492981     4.686615 
1 1 1 3   5   22 o 31.891  1.9848  137.451   16.780    135.914   23.536    139.041   23.929    31.709  2.7999  32.073  2.8138  -0.3642845     3.969540 
1 1 1 3   5   23 f 189.184 3.7356  4823.40   189.266   4727.17   267.312   4920.14   268.015   187.281 5.3289  191.086 5.2365  -3.805038      7.471141 
1 1 1 3   5   24 o 135.876 2.9084  2483.80   105.828   2421.30   149.352   2546.82   149.978   134.152 4.1565  137.599 4.0693  -3.446548      5.816833 
1 1 1 3   5   25 o 124.127 2.7583  2073.99   91.701    2041.10   129.339   2107.23   130.034   123.134 3.9216  125.120 3.8801  -1.985504      5.516700 
1 1 1 3   5   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   5   27 o 137.342 3.0116  2552.15   110.767   2603.69   156.454   2500.35   156.843   138.748 4.2099  135.935 4.3077  2.812531       6.023237 
1 1 1 3   5   28 o 61.510  2.0079  509.693   33.080    510.997   46.591    508.367   46.975    61.592  2.8242  61.429  2.8550  0.1625824      4.015851 
1 1 1 3   5   29 o 82.496  2.2749  920.660   50.245    948.333   70.884    892.715   71.231    83.756  3.1597  81.235  3.2737  2.520981       4.549791 
1 1 1 3   5   30 f 20.631  2.3621  59.409    12.471    47.882    17.403    71.576    17.879    18.454  3.6501  22.808  2.9993  -4.354315      4.724292 
1 1 1 3   5   31 o 49.194  1.9774  328.858   25.919    346.335   36.688    311.443   36.623    50.522  2.7212  47.867  2.8698  2.655449       3.954778 
1 1 1 3   5   32 o 72.994  2.1528  724.194   42.085    708.645   59.247    740.029   59.790    72.196  3.0638  73.792  3.0251  -1.595268      4.305562 
1 1 1 3   5   33 o 27.117  2.1385  101.423   15.257    104.270   21.455    98.511    21.701    27.523  2.9567  26.710  3.0904  0.8131332      4.276978 
1 1 1 3   5   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   5   35 o 10.712  2.1215  2.4183    9.5711    37.357    14.067    -27.6969  13.060    16.165  3.3587  5.2589  2.5926  10.90595       4.242918 
1 1 1 3   5   36 o 7.1516  2.2739  -6.3248   9.2556    -11.5385  13.248    -1.3530   12.937    6.5864  3.0698  7.7167  3.3555  -1.130347      4.547832 
1 1 1 3   5   37 o 18.718  2.8244  52.556    13.849    68.599    19.522    36.301    19.650    21.857  3.4489  15.578  4.4737  6.279179       5.648793 
1 1 1 3   5   38 o 10.243  2.8060  10.532    11.158    15.542    15.708    5.4293    15.854    11.099  4.0558  9.3874  3.8787  1.711356       5.612000 
1 1 1 3   5   39 o 11.887  2.9489  18.390    11.930    10.708    16.339    27.163    17.461    10.275  4.0443  13.499  4.2928  -3.224715      5.897858 
1 1 1 3   5   40 o 34.518  2.2990  172.401   20.789    193.132   29.025    150.562   29.791    36.875  2.9637  32.162  3.5155  4.712921       4.598030 
1 1 1 3   5   41 o 16.745  3.4561  46.520    17.288    29.981    26.250    59.190    22.975    14.153  5.2316  19.336  4.5175  -5.182808      6.912107 
1 1 1 3   5   42 o 11.779  2.7339  12.203    12.842    -15.2994  17.795    42.093    18.552    7.3474  3.4665  16.210  4.2286  -8.862338      5.467835 
1 1 1 3   6   0  o 616.669 11.326  51365.73  1870.47   50321.19  2644.18   52411.96  2646.31   610.342 16.174  622.996 15.859  -12.65381      22.65191 
1 1 1 3   6   1  o 401.617 7.4153  21678.04  797.683   21589.97  1127.91   21766.17  1128.28   400.798 10.507  402.436 10.467  -1.637421      14.83069 
1 1 1 3   6   2  o 316.210 5.8907  13423.93  498.693   13901.35  705.669   12947.62  704.849   321.839 8.1860  310.580 8.4729  11.25970       11.78140 
1 1 1 3   6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   6   4  o 322.573 6.0034  13965.81  518.692   14004.90  733.728   13926.76  733.355   323.025 8.4803  322.121 8.4998  0.9040527      12.00670 
1 1 1 3   6   5  o 853.081 15.806  99060.08  3601.93   107486.50 5100.57   90677.59  5087.26   889.846 21.400  816.316 23.267  73.53027       31.61180 
1 1 1 3   6   6  o 505.781 9.3146  34431.55  1261.88   34329.89  1784.58   34533.20  1784.54   505.031 13.193  506.532 13.153  -1.500732      18.62929 
1 1 1 3   6   7  o 323.829 6.0355  14072.88  523.500   14092.92  740.404   14052.84  740.278   324.060 8.5301  323.598 8.5408  0.4620056      12.07097 
1 1 1 3   6   8  o 385.100 7.1478  19919.19  737.245   20163.01  1042.81   19675.56  1042.43   387.463 10.048  382.738 10.169  4.725281       14.29561 
1 1 1 3   6   9  o 370.990 6.8715  18484.32  682.767   18233.84  965.311   18735.09  965.846   368.468 9.7809  373.512 9.6542  -5.043732      13.74295 
1 1 1 3   6   10 o 378.389 7.0105  19236.41  710.472   19485.94  1004.84   18986.95  1004.68   380.851 9.8504  375.928 9.9778  4.923218       14.02092 
1 1 1 3   6   11 o 344.927 6.4058  15982.40  591.807   15872.96  836.736   16091.94  837.149   343.742 9.0880  346.112 9.0302  -2.369690      12.81155 
1 1 1 3   6   12 o 155.355 3.1977  3235.39   133.063   3247.49   188.150   3223.29   188.208   155.646 4.5131  155.064 4.5314  0.5816803      6.395492 
1 1 1 3   6   13 o 74.565  2.0310  745.005   40.562    739.151   57.381    750.851   57.344    74.272  2.8844  74.858  2.8600  -0.5858536     4.061941 
1 1 1 3   6   14 o 132.895 2.8319  2368.86   100.775   2436.81   142.558   2300.99   142.476   134.803 3.9482  130.987 4.0609  3.815674       5.663896 
1 1 1 3   6   15 o 84.411  2.1371  955.604   48.288    994.595   68.259    916.545   68.320    86.137  2.9586  82.685  3.0849  3.452202       4.274292 
1 1 1 3   6   16 o 161.264 6.5344  3502.23   282.251   0.0000    0.0000    3502.23   282.251   ?       ?       161.264 6.5344  ?              ?        
1 1 1 3   6   17 o 149.176 3.1051  2988.84   124.069   2991.69   175.271   2985.99   175.649   149.248 4.3844  149.104 4.3981  0.1436005      6.210201 
1 1 1 3   6   18 o 192.213 3.8165  4971.64   196.489   4944.82   277.665   4998.54   278.091   191.692 5.4079  192.734 5.3869  -1.042023      7.633087 
1 1 1 3   6   19 o 211.964 4.2454  6057.25   240.922   6267.20   340.741   5847.36   340.689   215.661 5.8988  208.267 6.1073  7.394653       8.490865 
1 1 1 3   6   20 o 97.472  2.3948  1275.07   62.520    1262.97   88.205    1287.29   88.631    97.007  3.3947  97.937  3.3787  -0.9302979     4.789543 
1 1 1 3   6   21 o 179.127 3.6706  4319.82   176.106   4277.20   248.781   4362.62   249.322   178.238 5.2111  180.016 5.1708  -1.778320      7.341204 
1 1 1 3   6   22 o 140.758 3.0037  2664.71   113.192   2755.93   159.956   2573.20   160.200   143.182 4.1709  138.334 4.3236  4.847351       6.007445 
1 1 1 3   6   23 f 131.324 2.8357  2319.65   99.716    2382.55   140.868   2256.49   141.171   133.116 3.9509  129.531 4.0690  3.585007       5.671487 
1 1 1 3   6   24 o 67.365  2.0505  609.338   36.996    602.241   52.117    616.547   52.527    66.969  2.9055  67.760  2.8942  -0.7914658     4.100945 
1 1 1 3   6   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   6   26 o 63.133  2.0378  536.070   34.458    529.256   48.532    542.997   48.933    62.727  2.8886  63.538  2.8753  -0.8102913     4.075658 
1 1 1 3   6   27 o 37.972  1.9033  194.961   19.192    179.012   26.816    211.708   27.479    36.361  2.7743  39.583  2.6064  -3.222176      3.806606 
1 1 1 3   6   28 f 75.097  2.1442  761.384   43.127    760.954   60.694    761.823   61.292    75.078  3.0182  75.116  3.0464  -0.3720856E-01 4.288343 
1 1 1 3   6   29 o 77.789  2.1830  819.051   45.475    832.006   64.082    805.909   64.543    78.418  3.0509  77.160  3.1230  1.258400       4.365919 
1 1 1 3   6   30 o 64.129  2.0668  557.151   35.491    568.461   49.949    545.618   50.438    64.797  2.8779  63.460  2.9673  1.336971       4.133691 
1 1 1 3   6   31 o 68.571  2.1156  638.592   38.839    655.609   54.673    621.256   55.182    69.511  2.9365  67.632  3.0462  1.879089       4.231151 
1 1 1 3   6   32 o 15.746  2.6602  35.157    11.268    24.687    15.588    46.616    16.308    13.318  4.0273  18.174  3.4768  -4.855488      5.320479 
1 1 1 3   6   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   6   34 o 11.774  2.8961  17.742    11.189    17.334    15.732    18.160    15.918    11.679  4.0825  11.870  4.1089  -0.1913338     5.792216 
1 1 1 3   6   35 o 10.608  2.8578  11.744    11.236    13.376    16.537    10.345    15.314    10.991  4.1345  10.225  3.9463  0.7661552      5.715577 
1 1 1 3   6   36 o 36.092  2.1495  181.949   20.584    179.863   28.857    184.109   29.370    35.885  3.0306  36.300  3.0489  -0.4146805     4.298911 
1 1 1 3   6   37 o 11.630  2.9005  17.311    11.567    10.210    16.389    24.360    16.328    10.282  4.0495  12.979  4.1538  -2.696321      5.801034 
1 1 1 3   6   38 o 27.568  2.3949  109.436   17.307    106.253   24.394    112.662   24.557    27.135  3.4332  28.002  3.3400  -0.8677578     4.789897 
1 1 1 3   6   39 o 10.865  2.9372  13.798    11.920    14.485    16.540    13.056    17.193    10.940  4.1307  10.790  4.1767  0.1501474      5.874313 
1 1 1 3   6   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   6   41 o 17.216  3.1353  47.251    14.606    40.513    20.074    54.832    21.292    15.859  4.5111  18.573  4.3556  -2.713258      6.270636 
1 1 1 3   7   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   7   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   7   2  o 369.744 6.8352  18361.01  676.899   18160.38  957.145   18561.75  957.414   367.717 9.7179  371.770 9.6147  -4.052490      13.67045 
1 1 1 3   7   3  o 349.065 6.5052  16359.44  608.189   16541.02  860.328   16178.04  859.889   351.006 9.1508  347.124 9.2484  3.881836       13.01045 
1 1 1 3   7   4  o 488.685 9.0225  32133.37  1180.97   32326.71  1670.46   31940.17  1669.84   490.162 12.724  487.209 12.796  2.952301       18.04503 
1 1 1 3   7   5  o 263.706 4.9873  9326.36   352.264   9387.98   498.406   9264.86   497.948   264.578 7.0330  262.835 7.0731  1.742676       9.974588 
1 1 1 3   7   6  o 259.006 4.9176  8996.29   341.155   9029.04   482.631   8963.58   482.301   259.478 6.9443  258.534 6.9648  0.9432373      9.835228 
1 1 1 3   7   7  o 108.791 2.4273  1585.62   70.729    1577.21   100.088   1594.02   99.963    108.503 3.4439  109.080 3.4214  -0.5770493     4.854534 
1 1 1 3   7   8  o 51.201  1.8068  351.595   24.738    355.449   35.088    347.786   34.882    51.513  2.5430  50.890  2.5673  0.6231728      3.613599 
1 1 1 3   7   9  f 124.752 2.6728  2086.42   89.227    1979.05   126.062   2194.21   126.311   121.532 3.8726  127.971 3.6850  -6.438927      5.345699 
1 1 1 3   7   10 o 273.013 5.2080  10004.14  380.779   9789.42   538.284   10219.22  538.723   270.074 7.4411  275.951 7.2886  -5.877045      10.41606 
1 1 1 3   7   11 o 120.044 2.6144  1932.57   83.971    2037.56   118.789   1827.71   118.716   123.307 3.5967  116.780 3.7954  6.526451       5.228845 
1 1 1 3   7   12 o 169.646 3.3951  3860.09   154.270   3856.60   218.067   3863.60   218.273   169.569 4.8012  169.723 4.8014  -0.1538696     6.790120 
1 1 1 3   7   13 o 146.250 3.0571  2869.14   119.753   2844.08   169.257   2894.27   169.456   145.609 4.3398  146.890 4.3070  -1.280930      6.114249 
1 1 1 3   7   14 o 129.529 3.9384  2253.50   136.600   2212.28   190.395   2297.23   196.095   128.311 5.5399  130.747 5.5995  -2.435730      7.876826 
1 1 1 3   7   15 o 175.901 4.4026  4194.64   194.410   4077.79   337.993   4252.40   237.658   173.899 7.2564  177.904 4.9875  -4.004471      8.805116 
1 1 1 3   7   16 o 194.556 3.8909  5092.18   202.750   5151.04   286.652   5033.25   286.811   195.687 5.4690  193.426 5.5360  2.260788       7.781796 
1 1 1 3   7   17 o 87.778  2.1984  1033.54   51.684    1040.58   72.955    1026.45   73.231    88.079  3.0924  87.477  3.1254  0.6012802      4.396704 
1 1 1 3   7   18 o 150.295 3.1260  3035.76   125.823   3089.07   177.845   2982.34   178.036   151.620 4.3792  148.969 4.4619  2.651657       6.251902 
1 1 1 3   7   19 o 262.487 5.0525  9314.04   355.211   9201.27   502.032   9427.09   502.657   260.883 7.1845  264.092 7.1060  -3.208923      10.10509 
1 1 1 3   7   20 o 117.819 2.6352  1864.01   83.159    1862.15   117.426   1865.89   117.784   117.760 3.7228  117.878 3.7305  -0.1175308     5.270302 
1 1 1 3   7   21 o 192.803 3.8429  5010.22   198.391   4857.08   280.177   5164.21   280.959   189.831 5.5103  195.775 5.3579  -5.943817      7.685747 
1 1 1 3   7   22 o 60.547  1.9603  492.037   31.780    504.090   44.803    479.832   45.086    61.295  2.7289  59.799  2.8149  1.496490       3.920551 
1 1 1 3   7   23 o 80.650  2.1756  873.599   46.997    870.852   66.159    876.398   66.772    80.523  3.0675  80.777  3.0862  -0.2545624     4.351286 
1 1 1 3   7   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   7   25 o 98.883  2.4563  1317.28   65.055    1304.14   91.659    1330.62   92.349    98.385  3.4782  99.380  3.4693  -0.9952240     4.912652 
1 1 1 3   7   26 o 32.284  1.9669  141.573   16.758    125.546   23.553    158.008   23.850    30.395  2.9293  34.173  2.6257  -3.778124      3.933804 
1 1 1 3   7   27 o 66.615  2.0671  598.523   36.879    598.147   51.778    598.910   52.540    66.597  2.9027  66.633  2.9438  -0.3582764E-01 4.134182 
1 1 1 3   7   28 o 72.954  2.1264  719.481   41.549    714.705   58.429    724.366   59.095    72.711  3.0002  73.197  3.0142  -0.4865723     4.252792 
1 1 1 3   7   29 o 92.166  2.3765  1154.44   58.631    1197.01   82.711    1111.43   83.126    93.903  3.2885  90.430  3.4319  3.473183       4.753099 
1 1 1 3   7   30 f 88.239  2.3218  1059.13   54.874    1058.18   77.305    1060.10   77.906    88.204  3.2721  88.274  3.2949  -0.7055664E-01 4.643643 
1 1 1 3   7   31 o 55.108  2.0498  413.598   30.147    411.499   42.297    415.764   42.980    54.971  2.8827  55.246  2.9149  -0.2745323     4.099578 
1 1 1 3   7   32 o 10.395  2.6532  11.687    9.7399    18.319    14.055    5.5595    13.510    11.735  3.8612  9.0540  3.6398  2.681179       5.306339 
1 1 1 3   7   33 o 45.221  2.0253  280.667   24.386    289.551   34.274    271.557   34.705    45.973  2.7966  44.468  2.9302  1.505577       4.050611 
1 1 1 3   7   34 o 24.405  2.4805  85.235    15.440    101.790   21.680    68.195    21.995    27.034  3.0471  21.775  3.9150  5.259130       4.961078 
1 1 1 3   7   35 o 15.634  2.9366  36.048    12.501    36.124    17.993    35.977    17.381    15.643  4.2042  15.625  4.1013  0.1805210E-01  5.873294 
1 1 1 3   7   36 o 12.607  2.9443  22.444    11.553    22.273    16.290    22.617    16.387    12.567  4.1579  12.646  4.1698  -0.7866859E-01 5.888587 
1 1 1 3   7   37 f 14.545  2.7190  29.443    12.358    7.3201    17.039    53.996    17.950    9.9175  4.0507  19.173  3.6282  -9.255740      5.438003 
1 1 1 3   7   38 f 18.270  2.9056  50.644    13.871    52.000    19.322    49.203    19.926    18.577  4.0012  17.963  4.2143  0.6148338      5.811185 
1 1 1 3   7   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   7   40 o 14.300  3.1083  31.818    13.551    41.802    18.938    21.342    19.399    16.293  4.2830  12.308  4.5058  3.984968       6.216664 
1 1 1 3   7   41 o 40.689  2.3415  246.631   24.949    285.320   35.146    207.332   35.422    44.308  2.9788  37.070  3.6134  7.238152       4.682906 
1 1 1 3   8   0  o 288.866 5.4108  11197.18  418.463   10804.91  591.180   11591.08  592.414   283.786 7.7775  293.946 7.5243  -10.15991      10.82151 
1 1 1 3   8   1  o 279.863 5.2311  10506.79  392.089   10673.13  554.512   10340.47  554.482   282.082 7.3392  277.644 7.4561  4.437744       10.46213 
1 1 1 3   8   2  o 295.645 5.5858  11726.72  442.328   11711.39  625.494   11742.05  625.598   295.452 7.9040  295.839 7.8950  -0.3871460     11.17158 
1 1 1 3   8   3  o 390.447 7.2228  20477.28  755.309   20766.63  1068.46   20188.25  1067.88   393.211 10.145  387.682 10.284  5.529907       14.44559 
1 1 1 3   8   4  o 493.223 9.1076  32729.70  1203.17   32968.25  1701.84   32491.32  1701.23   495.028 12.835  491.419 12.925  3.609344       18.21511 
1 1 1 3   8   5  o 57.067  1.8292  436.247   27.948    453.025   39.691    419.747   39.360    58.156  2.5481  55.979  2.6251  2.177059       3.658385 
1 1 1 3   8   6  o 289.148 5.4162  11219.48  419.272   10812.46  592.748   11627.02  593.131   283.889 7.7953  294.407 7.5217  -10.51730      10.83244 
1 1 1 3   8   7  o 60.299  1.8504  487.126   29.881    478.240   42.352    495.933   42.163    59.751  2.6463  60.847  2.5871  -1.095551      3.700802 
1 1 1 3   8   8  o 222.043 4.2229  6611.78   251.115   6479.63   355.085   6744.00   355.176   219.820 6.0308  224.265 5.9128  -4.445145      8.445808 
1 1 1 3   8   9  o 137.756 2.8709  2543.18   105.931   2554.92   149.925   2531.48   149.692   138.073 4.0539  137.438 4.0663  0.6349335      5.741899 
1 1 1 3   8   10 o 233.905 4.4621  7342.95   279.547   7289.49   395.312   7396.42   395.367   233.051 6.3329  234.758 6.2877  -1.706772      8.924126 
1 1 1 3   8   11 o 167.110 3.3441  3746.68   149.619   3618.61   211.434   3875.14   211.752   164.244 4.8061  169.975 4.6511  -5.730713      6.688164 
1 1 1 3   8   12 o 256.314 4.8586  8836.18   333.559   8795.96   471.588   8876.46   471.858   255.728 6.8849  256.900 6.8574  -1.171921      9.717253 
1 1 1 3   8   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   8   14 o 105.231 2.4035  1485.36   67.741    1503.93   95.747    1466.75   95.852    105.891 3.3758  104.571 3.4222  1.319130       4.807011 
1 1 1 3   8   15 f 65.767  1.9183  579.899   33.792    579.183   47.779    580.616   47.800    65.727  2.7140  65.808  2.7118  -0.8130646E-01 3.836622 
1 1 1 3   8   16 o 159.734 3.2855  3429.01   140.566   3406.03   198.628   3452.05   198.952   159.197 4.6582  160.272 4.6345  -1.074753      6.570946 
1 1 1 3   8   17 o 123.561 2.7033  2049.82   89.463    2028.87   126.349   2070.89   126.692   122.926 3.8374  124.195 3.8085  -1.268921      5.406516 
1 1 1 3   8   18 o 88.568  2.2557  1052.72   53.474    1003.48   75.373    1102.63   75.876    86.478  3.2540  90.657  3.1248  -4.178413      4.511386 
1 1 1 3   8   19 o 122.908 2.7153  2028.83   89.387    2041.03   126.275   2016.58   126.548   123.280 3.8242  122.537 3.8557  0.7435150      5.430516 
1 1 1 3   8   20 o 223.255 4.3162  6726.98   258.104   6712.37   364.735   6741.64   365.295   223.011 6.1061  223.498 6.1021  -0.4868622     8.632487 
1 1 1 3   8   21 o 174.094 3.5660  4084.47   166.245   3975.55   234.749   4194.06   235.465   171.753 5.1028  176.436 4.9826  -4.682724      7.131949 
1 1 1 3   8   22 o 164.112 3.4454  3634.76   151.308   3813.28   213.948   3456.12   214.016   168.175 4.7496  160.049 4.9923  8.125580       6.890718 
1 1 1 3   8   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   8   24 o 90.175  2.2953  1094.48   55.437    1082.39   78.094    1106.76   78.708    89.672  3.2514  90.678  3.2406  -1.005287      4.590557 
1 1 1 3   8   25 o 94.598  2.3839  1206.90   60.402    1204.22   85.102    1209.63   85.746    94.494  3.3624  94.703  3.3803  -0.2085037     4.767834 
1 1 1 3   8   26 o 30.905  1.9462  129.717   15.933    134.438   22.566    125.023   22.500    31.477  2.7027  30.332  2.8011  1.145418       3.892360 
1 1 1 3   8   27 o 73.204  2.1368  724.278   41.896    724.951   59.044    723.596   59.459    73.241  3.0097  73.168  3.0340  0.7383728E-01  4.273575 
1 1 1 3   8   28 o 92.154  2.3649  1152.70   58.362    1120.19   82.174    1185.80   82.903    90.830  3.3776  93.478  3.3111  -2.647293      4.729894 
1 1 1 3   8   29 o 55.430  2.0206  417.232   29.896    414.335   42.056    420.191   42.506    55.237  2.8523  55.624  2.8627  -0.3872757     4.041164 
1 1 1 3   8   30 o 21.979  2.4351  68.025    13.574    50.707    18.918    86.399    19.487    18.903  3.8668  25.054  2.9610  -6.150982      4.870277 
1 1 1 3   8   31 o 45.991  1.9877  288.678   24.364    291.544   34.252    285.743   34.664    46.233  2.7789  45.750  2.8429  0.4832344      3.975414 
1 1 1 3   8   32 o 33.961  2.1497  159.145   19.319    150.391   27.369    167.838   27.273    32.993  3.1348  34.930  2.9424  -1.937775      4.299332 
1 1 1 3   8   33 f 8.6619  2.5063  2.1858    9.6861    10.489    13.764    -5.9599   13.633    9.9718  3.7674  7.3520  3.3065  2.619827       5.012604 
1 1 1 3   8   34 o 7.9451  2.4651  -3.6266   10.237    2.2611    14.648    -9.2472   14.312    8.7263  3.6756  7.1640  3.2860  1.562319       4.930285 
1 1 1 3   8   35 o 8.3189  2.4948  0.2185    9.9380    6.9362    13.997    -6.6103   14.113    9.2738  3.7131  7.3640  3.3331  1.909843       4.989635 
1 1 1 3   8   36 o 18.888  2.8081  52.810    13.770    43.349    18.870    63.586    20.139    16.958  4.1810  20.818  3.7497  -3.859798      5.616137 
1 1 1 3   8   37 o 11.834  2.4011  8.2496    11.452    45.017    16.826    -23.4790  15.631    17.401  3.7228  6.2681  3.0337  11.13255       4.802299 
1 1 1 3   8   38 o 23.627  2.7493  83.090    16.745    74.931    23.498    91.507    23.868    22.309  4.0829  24.945  3.6831  -2.635984      5.498630 
1 1 1 3   8   39 o 12.542  2.8057  19.431    12.871    -4.8317   18.528    42.056    17.892    8.5879  3.8593  16.497  4.0734  -7.909105      5.611306 
1 1 1 3   8   40 f 14.433  3.1872  32.809    14.392    19.626    20.244    46.283    20.465    11.964  4.5571  16.901  4.4570  -4.937576      6.374304 
1 1 1 3   9   0  o 241.243 4.6019  7803.52   297.358   7818.51   420.198   7788.49   420.857   241.476 6.4967  241.011 6.5194  0.4651184      9.203781 
1 1 1 3   9   1  o 326.708 6.0829  14325.01  532.265   14530.45  752.711   14119.54  752.763   329.056 8.5402  324.361 8.6645  4.695709       12.16586 
1 1 1 3   9   2  o 182.953 3.6034  4485.89   176.579   4481.74   249.645   4490.04   249.796   182.868 5.0968  183.038 5.0951  -0.1693878     7.206777 
1 1 1 3   9   3  o 130.004 2.7669  2265.50   96.272    2161.51   136.068   2369.74   136.231   127.014 3.9996  132.994 3.8243  -5.979797      5.533737 
1 1 1 3   9   4  o 163.531 3.3177  3583.98   145.304   3526.96   205.546   3640.92   205.435   162.230 4.7303  164.832 4.6531  -2.601807      6.635325 
1 1 1 3   9   5  o 391.190 7.2239  20560.83  756.865   20857.28  1070.78   20264.83  1069.96   394.017 10.146  388.364 10.286  5.653320       14.44783 
1 1 1 3   9   6  o 429.408 7.9597  24800.45  915.456   25071.81  1295.07   24529.45  1294.23   431.765 11.198  427.051 11.315  4.714294       15.91940 
1 1 1 3   9   7  o 350.647 6.5669  16521.43  616.762   16447.67  872.348   16595.15  872.118   349.861 9.3090  351.432 9.2650  -1.570679      13.13387 
1 1 1 3   9   8  o 353.253 6.6662  16783.60  630.679   17069.91  892.322   16497.82  891.506   356.276 9.3508  350.231 9.5034  6.044861       13.33237 
1 1 1 3   9   9  o 249.172 4.7051  8337.59   313.998   8230.28   444.041   8444.91   444.078   247.564 6.6965  250.780 6.6112  -3.215897      9.410105 
1 1 1 3   9   10 o 376.465 6.9588  19124.74  701.612   18779.30  992.018   19470.47  992.441   373.038 9.9284  379.891 9.7534  -6.853180      13.91766 
1 1 1 3   9   11 o 233.085 4.5013  7306.41   280.923   7076.07   397.112   7537.15   397.458   229.392 6.4632  236.777 6.2670  -7.384598      9.002687 
1 1 1 3   9   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   9   13 o 114.191 2.5604  1749.54   78.301    1711.82   110.608   1787.43   110.862   112.955 3.6559  115.427 3.5858  -2.471558      5.120862 
1 1 1 3   9   14 o 222.263 4.3350  6653.14   258.076   6636.91   364.841   6669.39   365.109   221.990 6.1359  222.535 6.1254  -0.5445404     8.670082 
1 1 1 3   9   15 o 38.056  1.7936  195.022   18.174    200.512   25.786    189.605   25.617    38.593  2.5082  37.519  2.5645  1.073421       3.587121 
1 1 1 3   9   16 o 77.055  2.1025  796.428   43.389    782.192   61.306    810.716   61.416    76.364  2.9973  77.746  2.9492  -1.381844      4.204962 
1 1 1 3   9   17 o 180.298 3.6595  4374.52   176.720   4329.23   249.663   4420.00   250.178   179.359 5.1969  181.237 5.1536  -1.877701      7.318983 
1 1 1 3   9   18 o 161.646 3.2820  3513.62   142.089   3460.25   200.646   3567.31   201.242   160.411 4.6699  162.882 4.6127  -2.470932      6.563945 
1 1 1 3   9   19 o 113.920 2.6250  1743.27   80.082    1779.03   113.137   1707.36   113.368   115.095 3.6700  112.745 3.7541  2.349266       5.249928 
1 1 1 3   9   20 o 40.279  1.9234  219.295   20.535    242.191   29.021    196.334   29.062    42.414  2.5666  38.144  2.8655  4.270828       3.846852 
1 1 1 3   9   21 o 131.087 2.8917  2312.98   101.523   2345.87   143.346   2279.87   143.805   132.028 4.0535  130.146 4.1253  1.881714       5.783498 
1 1 1 3   9   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   9   23 o 153.772 3.2155  3197.73   132.436   3166.37   186.925   3229.34   187.663   153.010 4.5610  154.533 4.5339  -1.522934      6.431056 
1 1 1 3   9   24 o 88.211  2.3177  1049.13   54.747    1069.28   77.136    1028.67   77.715    89.072  3.2332  87.349  3.3217  1.722878       4.635407 
1 1 1 3   9   25 o 93.139  2.3237  1171.57   57.944    1127.07   81.569    1216.89   82.328    91.342  3.3340  94.935  3.2376  -3.593033      4.647352 
1 1 1 3   9   26 o 36.069  1.9353  176.507   18.555    177.668   26.086    175.318   26.397    36.194  2.7105  35.944  2.7631  0.2502213      3.870566 
1 1 1 3   9   27 o 52.932  1.9631  379.483   27.719    362.536   38.799    397.149   39.615    51.714  2.8116  54.150  2.7403  -2.435184      3.926107 
1 1 1 3   9   28 o 57.183  2.0146  443.392   30.765    417.215   43.243    470.220   43.778    55.419  2.9235  58.947  2.7727  -3.527935      4.029256 
1 1 1 3   9   29 o 48.756  2.0168  323.822   26.184    342.124   36.956    305.372   37.104    50.169  2.7608  47.342  2.9406  2.827141       4.033510 
1 1 1 3   9   30 o 36.524  2.0335  182.470   19.728    182.074   27.567    182.885   28.244    36.492  2.8428  36.556  2.9086  -0.6405258E-01 4.067088 
1 1 1 3   9   31 o 38.013  2.9021  205.010   25.704    197.686   48.534    207.865   30.302    37.107  5.0114  38.918  2.9284  -1.811302      5.804264 
1 1 1 3   9   32 o 27.975  2.2445  108.943   16.317    90.048    22.570    129.631   23.617    25.323  3.4147  30.628  2.9139  -5.305473      4.488984 
1 1 1 3   9   33 o 25.470  2.4592  92.049    16.173    78.029    22.639    106.665   23.114    23.346  3.7471  27.594  3.1859  -4.248196      4.918419 
1 1 1 3   9   34 o 33.921  2.1825  161.085   19.503    141.198   27.100    182.450   28.089    31.659  3.2415  36.183  2.9233  -4.523642      4.364989 
1 1 1 3   9   35 o 16.262  2.9807  39.948    13.152    44.378    18.230    35.139    18.994    17.243  4.0210  15.282  4.4012  1.960936       5.961433 
1 1 1 3   9   36 o 11.368  2.9107  16.144    11.557    22.022    16.785    10.847    15.936    12.470  4.2221  10.266  4.0079  2.204257       5.821440 
1 1 1 3   9   37 f 27.209  2.5316  108.346   17.855    118.332   24.812    97.622    25.713    28.699  3.2871  25.719  3.8512  2.980057       5.063285 
1 1 1 3   9   38 o 11.179  3.0235  14.573    12.878    20.671    18.020    8.2065    18.412    12.168  4.3582  10.190  4.1920  1.978331       6.047040 
1 1 1 3   9   39 o 14.195  3.1800  31.185    13.917    41.770    20.250    21.709    19.159    16.103  4.5136  12.287  4.4809  3.816024       6.360089 
1 1 1 3   10  0  o 163.914 3.2928  3600.83   144.548   3661.36   204.187   3540.03   204.657   165.296 4.6119  162.532 4.7011  2.763672       6.585563 
1 1 1 3   10  1  o 463.221 8.5303  28855.66  1058.37   28991.73  1496.63   28719.55  1496.89   464.318 12.034  462.124 12.093  2.193970       17.06056 
1 1 1 3   10  2  o 146.145 3.0842  2862.45   120.703   2930.81   170.666   2794.05   170.733   147.892 4.3084  144.399 4.4143  3.493683       6.168332 
1 1 1 3   10  3  o 476.894 8.8415  30607.40  1129.29   31043.91  1597.44   30171.29  1596.69   480.309 12.417  473.479 12.590  6.830353       17.68309 
1 1 1 3   10  4  o 242.753 4.6040  7905.77   299.211   7615.88   422.997   8196.08   423.300   238.292 6.6274  247.215 6.3927  -8.923050      9.208066 
1 1 1 3   10  5  o 299.800 5.6345  12066.50  452.431   12225.78  640.157   11907.53  639.512   301.781 7.9196  297.819 8.0169  3.962433       11.26905 
1 1 1 3   10  6  o 231.087 4.4390  7164.56   274.736   7269.31   388.856   7060.15   388.215   232.776 6.2368  229.397 6.3182  3.378601       8.877922 
1 1 1 3   10  7  o 179.111 3.5649  4302.89   171.006   4227.68   241.954   4377.96   241.723   177.544 5.0879  180.677 4.9949  -3.132904      7.129901 
1 1 1 3   10  8  o 251.649 4.8164  8508.79   324.639   8574.74   459.337   8442.98   458.882   252.626 6.7883  250.672 6.8345  1.953949       9.632855 
1 1 1 3   10  9  o 141.114 2.9703  2671.01   112.265   2704.10   158.934   2638.06   158.598   141.987 4.1791  140.240 4.2222  1.746780       5.940663 
1 1 1 3   10  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   10  11 o 182.906 3.6888  4495.92   180.681   4606.07   255.852   4386.33   255.193   185.147 5.1592  180.664 5.2736  4.483795       7.377556 
1 1 1 3   10  12 o 68.465  1.9892  628.473   36.478    624.917   51.680    632.004   51.495    68.272  2.8261  68.658  2.8001  -0.3867340     3.978422 
1 1 1 3   10  13 f 166.687 3.3832  3734.24   151.037   3672.11   213.526   3796.45   213.670   165.295 4.8228  168.080 4.7461  -2.784576      6.766491 
1 1 1 3   10  14 o 67.482  1.9655  610.807   35.506    636.124   50.304    585.671   50.123    68.878  2.7267  66.087  2.8316  2.791039       3.931016 
1 1 1 3   10  15 o 157.908 3.2088  3351.27   135.714   3325.92   191.799   3376.70   192.059   157.308 4.5520  158.508 4.5237  -1.199768      6.417558 
1 1 1 3   10  16 o 141.773 2.9978  2700.50   113.836   2704.30   160.904   2696.69   161.074   141.874 4.2342  141.673 4.2447  0.2011108      5.995537 
1 1 1 3   10  17 o 147.640 3.1013  2929.99   122.632   2967.27   173.296   2892.60   173.559   148.585 4.3544  146.696 4.4171  1.888931       6.202552 
1 1 1 3   10  18 f 197.589 3.9002  5261.89   206.411   5278.27   291.679   5245.45   292.140   197.900 5.5026  197.278 5.5287  0.6222534      7.800335 
1 1 1 3   10  19 o 133.837 2.9262  2408.94   104.899   2416.98   148.141   2400.85   148.559   134.063 4.1255  133.612 4.1511  0.4513397      5.852495 
1 1 1 3   10  20 o 135.669 2.9486  2477.84   107.146   2460.44   151.251   2495.36   151.806   135.189 4.1770  136.148 4.1628  -0.9583282     5.897186 
1 1 1 3   10  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   10  22 o 141.824 3.0213  2717.06   114.772   2702.31   161.968   2731.93   162.659   141.437 4.2754  142.212 4.2703  -0.7746429     6.042697 
1 1 1 3   10  23 o 74.955  2.1379  756.627   42.918    762.805   60.501    750.370   60.892    75.266  3.0011  74.644  3.0456  0.6220398      4.275766 
1 1 1 3   10  24 o 65.093  2.0458  571.231   35.661    579.166   50.151    563.115   50.719    65.555  2.8562  64.630  2.9299  0.9253998      4.091668 
1 1 1 3   10  25 o 17.431  2.4369  42.890    10.955    55.046    15.668    31.265    15.323    19.967  3.0244  14.895  3.8218  5.072441       4.873758 
1 1 1 3   10  26 o 64.489  2.0816  563.116   35.909    594.147   50.660    531.783   50.906    66.296  2.8529  62.682  3.0321  3.613575       4.163242 
1 1 1 3   10  27 o 54.828  2.0025  407.937   29.299    433.192   41.368    382.519   41.501    56.594  2.7291  53.063  2.9314  3.530899       4.005080 
1 1 1 3   10  28 o 43.630  1.9771  259.009   22.981    258.038   32.288    260.005   32.717    43.551  2.7825  43.710  2.8094  -0.1595154     3.954113 
1 1 1 3   10  29 o 28.020  2.1796  108.271   16.056    115.409   22.733    101.166   22.679    28.980  2.9706  27.059  3.1905  1.921001       4.359295 
1 1 1 3   10  30 o 54.630  3.8722  414.616   56.293    0.0000    0.0000    414.616   56.293    ?       ?       54.630  3.8722  ?              ?        
1 1 1 3   10  31 o 23.079  2.4203  75.123    14.437    66.842    20.333    83.542    20.501    21.704  3.6255  24.454  3.2073  -2.749994      4.840570 
1 1 1 3   10  32 o 53.208  2.1047  391.508   29.836    404.312   41.644    378.003   42.768    54.157  2.8812  52.260  3.0688  1.896481       4.209420 
1 1 1 3   10  33 o 16.028  2.7096  37.665    12.369    16.744    17.314    59.471    17.676    11.658  4.2585  20.399  3.3516  -8.741282      5.419197 
1 1 1 3   10  34 o 29.981  2.2489  127.155   17.773    132.092   25.230    122.291   25.041    30.592  3.1229  29.370  3.2369  1.222509       4.497743 
1 1 1 3   10  35 o 31.473  2.4843  144.999   19.506    193.161   27.842    98.567    27.338    37.136  2.8202  25.811  4.0906  11.32435       4.968567 
1 1 1 3   10  36 f 15.789  2.9658  37.969    13.182    25.755    18.698    50.038    18.588    13.299  4.4565  18.280  3.9144  -4.981076      5.931502 
1 1 1 3   10  37 o 12.725  3.1444  21.910    13.742    11.491    19.141    32.993    19.743    10.820  4.3385  14.629  4.5527  -3.809449      6.288875 
1 1 1 3   10  38 o 26.894  2.6832  109.032   18.348    84.181    25.500    135.710   26.421    23.307  4.2410  30.482  3.2881  -7.174753      5.366409 
1 1 1 3   11  0  o 334.809 6.2203  15048.73  557.817   15147.24  788.564   14950.07  789.181   335.909 8.7645  333.710 8.8292  2.199280       12.44067 
1 1 1 3   11  1  o 319.997 6.0161  13746.31  515.630   13857.95  729.015   13634.55  729.407   321.300 8.4710  318.693 8.5449  2.606750       12.03221 
1 1 1 3   11  2  o 283.805 5.3723  10809.45  408.353   10645.49  577.221   10973.73  577.775   281.647 7.6515  285.964 7.5432  -4.317383      10.74460 
1 1 1 3   11  3  o 340.366 6.2679  15564.12  571.351   15855.61  808.316   15273.07  807.709   343.560 8.7839  337.171 8.9437  6.388947       12.53581 
1 1 1 3   11  4  o 123.795 2.6973  2053.95   89.424    2101.35   126.611   2006.76   126.318   125.221 3.7749  122.369 3.8539  2.852509       5.394688 
1 1 1 3   11  5  o 64.521  1.9165  557.750   33.120    556.351   46.970    559.134   46.709    64.440  2.7213  64.601  2.6994  -0.1611710     3.833045 
1 1 1 3   11  6  o 82.429  2.1138  910.497   46.650    945.358   66.288    876.289   65.663    83.993  2.9465  80.865  3.0316  3.127861       4.227582 
1 1 1 3   11  7  o 191.389 3.7845  4917.75   193.988   4839.59   274.512   4995.71   274.169   189.866 5.3979  192.912 5.3060  -3.046021      7.569083 
1 1 1 3   11  8  o 10.777  2.2521  15.565    7.1226    10.830    10.056    20.332    10.089    9.4674  3.2666  12.087  3.1011  -2.620070      4.504146 
1 1 1 3   11  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   11  10 o 46.023  1.7934  284.738   22.022    287.702   31.322    281.841   30.967    46.260  2.5376  45.785  2.5350  0.4749031      3.586875 
1 1 1 3   11  11 o 148.867 3.0679  2976.01   122.326   2995.22   173.142   2956.86   172.850   149.347 4.3283  148.386 4.3490  0.9612885      6.135758 
1 1 1 3   11  12 o 23.136  1.9241  72.788    11.658    79.663    16.655    66.182    16.324    24.237  2.6064  22.036  2.8312  2.201183       3.848300 
1 1 1 3   11  13 o 135.242 2.9021  2456.42   105.119   2492.17   148.784   2420.79   148.538   136.227 4.0776  134.257 4.1306  1.969803       5.804183 
1 1 1 3   11  14 o 165.679 3.3528  3691.38   148.720   3821.51   210.509   3561.72   210.134   168.606 4.6613  162.753 4.8204  5.853073       6.705505 
1 1 1 3   11  15 o 216.440 4.2057  6314.19   243.776   6446.58   344.831   6181.92   344.672   218.722 5.8861  214.158 6.0087  4.564499       8.411342 
1 1 1 3   11  16 o 97.932  2.3470  1287.13   61.564    1285.46   87.048    1288.80   87.081    97.869  3.3207  97.996  3.3176  -0.1271362     4.694002 
1 1 1 3   11  17 o 156.880 3.2940  3311.58   138.395   3369.00   195.636   3254.07   195.805   158.248 4.6155  155.512 4.7008  2.735809       6.587914 
1 1 1 3   11  18 o 39.323  1.8905  208.689   19.762    220.172   27.810    196.976   28.087    40.431  2.5815  38.216  2.7625  2.215221       3.780986 
1 1 1 3   11  19 o 85.345  2.2372  978.503   51.140    981.065   72.248    975.931   72.398    85.458  3.1564  85.233  3.1713  0.2251205      4.474306 
1 1 1 3   11  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   11  21 o 95.832  2.3568  1236.93   60.471    1273.14   85.357    1200.44   85.683    97.250  3.2769  94.415  3.3882  2.834396       4.713553 
1 1 1 3   11  22 f 31.833  2.0384  138.890   16.849    169.195   23.936    109.127   23.721    35.384  2.5425  28.282  3.1869  7.101809       4.076878 
1 1 1 3   11  23 f 42.174  1.9113  240.490   21.469    231.789   30.174    249.411   30.552    41.393  2.7370  42.955  2.6686  -1.561535      3.822676 
1 1 1 3   11  24 o 36.505  1.9272  180.719   18.707    179.095   26.433    182.350   26.479    36.338  2.7358  36.672  2.7150  -0.3338966     3.854370 
1 1 1 3   11  25 o 52.010  1.9706  366.386   27.345    355.008   38.318    378.194   39.035    51.181  2.8058  52.839  2.7677  -1.658001      3.941190 
1 1 1 3   11  26 o 28.045  2.0915  107.569   15.428    97.568    21.443    118.302   22.215    26.660  3.0582  29.431  2.8540  -2.770397      4.183020 
1 1 1 3   11  27 o 53.030  2.0207  382.675   28.568    396.841   40.117    368.100   40.692    54.051  2.7804  52.010  2.9330  2.040981       4.041460 
1 1 1 3   11  28 f 36.218  2.0400  180.239   19.499    199.263   27.311    160.458   27.848    38.238  2.6835  34.197  3.0732  4.041550       4.079909 
1 1 1 3   11  29 o 50.233  3.7959  350.120   50.696    0.0000    0.0000    350.120   50.696    ?       ?       50.233  3.7959  ?              ?        
1 1 1 3   11  30 o 8.8222  2.5430  2.5879    9.8818    10.867    14.162    -5.2675   13.795    10.144  3.8241  7.5003  3.3531  2.643799       5.085972 
1 1 1 3   11  31 o 47.440  2.0776  310.575   26.264    308.993   36.733    312.228   37.566    47.328  2.9118  47.551  2.9642  -0.2230072     4.155150 
1 1 1 3   11  32 o 37.615  2.1285  197.018   21.261    193.831   29.704    200.365   30.447    37.308  2.9978  37.923  3.0225  -0.6152496     4.257053 
1 1 1 3   11  33 o 18.486  2.6159  50.151    13.642    12.339    18.560    94.577    20.118    11.042  4.3214  25.931  2.9490  -14.88893      5.231706 
1 1 1 3   11  34 o 46.425  2.1584  303.064   26.688    298.629   37.504    307.614   37.985    46.077  3.0562  46.773  3.0486  -0.6959572     4.316760 
1 1 1 3   11  35 o 15.125  3.1112  34.836    13.477    29.617    19.384    39.719    18.749    14.095  4.5273  16.155  4.2689  -2.059427      6.222499 
1 1 1 3   11  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   11  37 o 18.490  2.9499  53.353    15.053    82.344    21.854    27.185    20.763    23.542  3.5786  13.438  4.6904  10.10309       5.899708 
1 1 1 3   12  0  o 300.726 5.6652  12142.79  456.293   12304.38  644.995   11980.89  645.595   302.734 7.9544  298.717 8.0688  4.016785       11.33040 
1 1 1 3   12  1  f 264.054 5.0357  9359.44   356.108   9533.55   503.444   9185.09   503.781   266.518 7.0524  261.591 7.1900  4.927246       10.07137 
1 1 1 3   12  2  o 239.930 4.5910  7725.92   295.043   7709.88   417.081   7742.00   417.426   239.681 6.4968  240.180 6.4886  -0.4992828     9.182080 
1 1 1 3   12  3  o 46.685  1.7959  292.883   22.370    296.199   31.592    289.547   31.681    46.952  2.5213  46.418  2.5580  0.5341187      3.591711 
1 1 1 3   12  4  o 184.659 3.6914  4575.44   182.576   4605.97   258.334   4544.98   258.069   185.275 5.2056  184.043 5.2351  1.232620       7.382781 
1 1 1 3   12  5  o 136.439 2.9217  2496.72   106.763   2544.51   151.238   2449.24   150.735   137.742 4.0992  135.136 4.1644  2.606369       5.843478 
1 1 1 3   12  6  o 169.912 3.4429  3875.65   156.665   3957.86   221.882   3793.91   221.236   171.712 4.8243  168.111 4.9133  3.601242       6.885771 
1 1 1 3   12  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   12  8  o 140.662 2.9550  2655.84   111.314   2716.33   157.715   2595.80   157.130   142.261 4.1390  139.063 4.2185  3.198090       5.909916 
1 1 1 3   12  9  o 176.852 3.5251  4203.33   166.969   4263.92   236.393   4143.01   235.869   178.128 4.9547  175.577 5.0155  2.551331       7.050108 
1 1 1 3   12  10 o 159.288 3.3056  3409.20   141.035   3409.31   199.641   3409.08   199.265   159.290 4.6792  159.286 4.6705  0.4425049E-02  6.611249 
1 1 1 3   12  11 o 109.416 2.5039  1606.53   73.381    1618.22   103.936   1594.92   103.618   109.813 3.5336  109.019 3.5485  0.7944183      5.007831 
1 1 1 3   12  12 o 121.308 2.6693  1975.49   86.728    1996.41   122.836   1954.70   122.469   121.949 3.7606  120.667 3.7892  1.282532       5.338562 
1 1 1 3   12  13 o 156.282 3.2518  3283.25   136.100   3355.83   192.691   3211.00   192.258   158.012 4.5528  154.553 4.6443  3.458771       6.503674 
1 1 1 3   12  14 o 47.647  1.9001  305.760   24.092    280.929   33.965    330.905   34.178    45.683  2.7891  49.611  2.5810  -3.927311      3.800101 
1 1 1 3   12  15 o 197.489 3.8784  5254.01   205.153   5217.44   290.062   5290.60   290.199   196.798 5.5028  198.180 5.4670  -1.382507      7.756826 
1 1 1 3   12  16 o 87.808  2.2521  1034.94   52.966    1028.27   75.027    1041.56   74.783    87.525  3.2003  88.091  3.1694  -0.5655746     4.504148 
1 1 1 3   12  17 o 84.907  2.2068  968.133   50.167    934.949   70.853    1001.49   71.040    83.444  3.1701  86.369  3.0708  -2.925362      4.413556 
1 1 1 3   12  18 o 124.663 2.7412  2091.55   91.520    2125.44   129.373   2057.60   129.486   125.679 3.8432  123.646 3.9098  2.032379       5.482386 
1 1 1 3   12  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   12  20 o 124.905 2.7761  2105.46   92.865    2060.34   131.024   2151.01   131.641   123.552 3.9592  126.258 3.8926  -2.705902      5.552294 
1 1 1 3   12  21 o 81.934  2.2196  904.588   48.710    893.737   68.701    915.557   69.074    81.438  3.1495  82.429  3.1285  -0.9915009     4.439291 
1 1 1 3   12  22 o 100.042 2.4207  1352.76   64.863    1333.66   91.483    1372.07   91.980    99.328  3.4386  100.757 3.4083  -1.428528      4.841492 
1 1 1 3   12  23 o 78.349  2.1794  829.647   45.736    827.378   64.454    831.948   64.908    78.243  3.0755  78.455  3.0888  -0.2126923     4.358838 
1 1 1 3   12  24 o 39.603  1.9401  213.301   20.363    190.725   28.706    236.165   28.889    37.452  2.8838  41.754  2.5960  -4.301620      3.880158 
1 1 1 3   12  25 o 59.652  2.0309  482.625   32.366    500.334   45.510    464.501   46.039    60.813  2.7940  58.490  2.9482  2.323029       4.061776 
1 1 1 3   12  26 o 59.114  2.0742  475.499   32.689    513.625   46.187    437.236   46.270    61.567  2.8008  56.662  3.0601  4.905174       4.148331 
1 1 1 3   12  27 o 35.711  2.0775  174.465   19.691    169.655   27.646    179.418   28.053    35.203  2.9594  36.219  2.9164  -1.016682      4.154944 
1 1 1 3   12  28 o 59.959  2.1150  491.378   33.885    507.668   47.799    474.919   48.044    61.020  2.9245  58.897  3.0560  2.122894       4.229910 
1 1 1 3   12  29 o 29.256  2.2202  119.019   17.048    130.216   24.083    107.774   24.135    30.707  2.9650  27.805  3.3054  2.902214       4.440357 
1 1 1 3   12  30 o 41.945  2.0824  242.887   23.194    222.664   32.399    264.146   33.219    40.106  3.0386  43.784  2.8481  -3.678123      4.164717 
1 1 1 3   12  31 o 35.055  2.1709  171.880   20.083    188.878   28.378    154.826   28.425    36.884  2.8957  33.226  3.2351  3.658306       4.341771 
1 1 1 3   12  32 o 26.864  2.3540  102.519   16.545    95.353    23.100    110.066   23.708    25.846  3.4208  27.882  3.2347  -2.035416      4.708009 
1 1 1 3   12  33 o 38.634  2.2238  210.899   22.773    221.727   32.011    199.804   32.404    39.714  3.0323  37.555  3.2535  2.158661       4.447504 
1 1 1 3   12  34 o 18.982  2.8940  54.250    14.293    48.574    20.321    59.807    20.108    17.881  4.2964  20.083  3.8784  -2.202564      5.788050 
1 1 1 3   12  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   12  36 o 14.277  3.2475  31.629    14.152    28.422    20.105    34.780    19.924    13.672  4.6209  14.882  4.5641  -1.210692      6.494920 
1 1 1 3   13  0  f 283.035 5.3516  10765.17  405.698   10839.13  573.348   10691.00  574.140   284.013 7.5369  282.058 7.5996  1.955261       10.70320 
1 1 1 3   13  1  o 200.036 3.8972  5369.96   208.801   5408.12   294.994   5331.64   295.586   200.750 5.4862  199.321 5.5366  1.428314       7.794342 
1 1 1 3   13  2  o 79.769  2.1061  852.774   44.999    856.771   63.524    848.748   63.752    79.957  2.9661  79.581  2.9909  0.3757095      4.212268 
1 1 1 3   13  3  o 315.261 5.9641  13395.48  503.612   13307.10  712.090   13483.93  712.341   314.215 8.4609  316.308 8.4079  -2.093323      11.92815 
1 1 1 3   13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   13  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   13  6  o 187.212 3.7742  4710.92   189.244   4776.86   267.967   4645.30   267.298   188.523 5.3067  185.901 5.3681  2.621933       7.548410 
1 1 1 3   13  7  o 261.221 5.0423  9203.74   352.734   9008.41   498.983   9398.84   498.699   258.431 7.2086  264.012 7.0522  -5.581238      10.08455 
1 1 1 3   13  8  o 161.792 3.2906  3516.86   142.599   3531.03   201.952   3502.78   201.381   162.117 4.6508  161.467 4.6564  0.6504517      6.581185 
1 1 1 3   13  9  o 147.739 3.1017  2932.10   122.731   2900.15   173.758   2963.92   173.379   146.933 4.4151  148.545 4.3576  -1.612289      6.203354 
1 1 1 3   13  10 o 53.792  1.9045  388.737   27.325    421.928   38.931    356.511   38.361    56.098  2.5910  51.486  2.7921  4.611931       3.809088 
1 1 1 3   13  11 o 97.983  2.3864  1288.23   62.628    1297.40   88.827    1279.16   88.315    98.330  3.3726  97.636  3.3770  0.6937408      4.772730 
1 1 1 3   13  12 o 52.318  2.0088  367.943   28.010    393.454   40.136    343.721   39.107    54.095  2.7794  50.541  2.9010  3.553799       4.017625 
1 1 1 3   13  13 o 105.020 2.4427  1480.49   68.705    1459.86   97.342    1500.96   96.986    104.289 3.4848  105.751 3.4240  -1.461800      4.885438 
1 1 1 3   13  14 o 51.455  1.9135  356.180   26.271    349.039   37.327    363.190   36.982    50.939  2.7459  51.970  2.6657  -1.031876      3.827024 
1 1 1 3   13  15 o 14.173  2.5841  27.970    9.9985    21.750    14.115    34.234    14.165    12.685  3.8315  15.661  3.4684  -2.976524      5.168184 
1 1 1 3   13  16 o 278.359 5.3971  10545.74  402.384   10653.23  569.133   10438.31  568.980   279.800 7.5941  276.919 7.6711  2.881378       10.79425 
1 1 1 3   13  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   13  18 o 94.299  2.3650  1196.80   59.707    1241.90   84.558    1151.96   84.320    96.079  3.2858  92.520  3.4026  3.559563       4.730094 
1 1 1 3   13  19 o 122.024 2.7577  2010.07   90.129    2031.92   127.387   1988.18   127.535   122.694 3.8763  121.354 3.9236  1.339462       5.515450 
1 1 1 3   13  20 o 70.015  2.0763  660.597   38.903    692.348   55.022    628.859   55.012    71.708  2.8647  68.322  3.0061  3.385391       4.152500 
1 1 1 3   13  21 o 140.429 3.0280  2680.58   113.894   2681.56   160.873   2679.60   161.268   140.458 4.2761  140.401 4.2883  0.5743408E-01  6.055974 
1 1 1 3   13  22 o 111.658 2.6019  1692.02   77.816    1681.40   109.800   1702.73   110.300   111.305 3.6830  112.011 3.6764  -0.7065582     5.203863 
1 1 1 3   13  23 o 42.802  1.9514  248.926   22.186    227.264   31.335    270.699   31.416    40.901  2.8786  44.704  2.6353  -3.803230      3.902761 
1 1 1 3   13  24 o 45.335  1.9813  279.102   23.939    283.674   33.939    274.575   33.770    45.710  2.7854  44.960  2.8185  0.7491035      3.962582 
1 1 1 3   13  25 o 25.562  2.1819  90.066    14.603    83.636    20.590    96.574    20.715    24.604  3.2000  26.520  2.9671  -1.915279      4.363881 
1 1 1 3   13  26 o 39.537  2.0386  213.396   21.385    194.324   29.837    233.546   30.667    37.685  2.9802  41.388  2.7826  -3.702549      4.077298 
1 1 1 3   13  27 o 30.500  2.1484  128.154   17.279    118.016   24.161    138.766   24.720    29.227  3.1354  31.773  2.9379  -2.546379      4.296755 
1 1 1 3   13  28 o 39.672  2.1000  217.647   21.865    178.381   30.638    258.406   31.215    35.894  3.2210  43.449  2.6955  -7.554523      4.200068 
1 1 1 3   13  29 f 48.196  2.1170  320.993   27.161    335.234   38.207    306.443   38.619    49.323  2.9049  47.068  3.0802  2.254871       4.233922 
1 1 1 3   13  30 o 18.628  2.7085  50.563    13.062    53.022    18.395    48.062    18.553    19.132  3.7236  18.125  3.9344  1.006380       5.417070 
1 1 1 3   13  31 o 40.326  2.1499  227.435   23.046    224.913   32.207    230.081   32.991    40.107  3.0202  40.545  3.0604  -0.4378891     4.299752 
1 1 1 3   13  32 f 39.933  2.2067  224.524   23.411    221.176   32.756    228.021   33.473    39.633  3.1106  40.232  3.1309  -0.5991859     4.413418 
1 1 1 3   13  33 o 11.165  2.9698  14.144    12.324    20.691    17.464    7.6489    17.393    12.285  4.3009  10.045  4.0964  2.240187       5.939595 
1 1 1 3   13  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   13  35 o 21.665  2.8579  71.282    15.958    69.762    22.000    72.969    23.183    21.457  3.9743  21.872  4.1081  -0.4149132     5.715872 
1 1 1 3   14  0  o 181.561 3.6107  4425.95   175.550   4525.10   247.907   4326.22   248.626   183.606 5.0410  179.515 5.1708  4.090820       7.221365 
1 1 1 3   14  1  o 190.355 7.4979  4880.01   382.291   4880.01   382.291   0.0000    0.0000    190.355 7.4979  ?       ?       ?              ?        
1 1 1 3   14  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   14  3  o 246.462 4.6939  8178.15   309.863   8197.48   438.167   8158.81   438.259   246.755 6.6296  246.169 6.6467  0.5859833      9.387778 
1 1 1 3   14  4  o 201.124 3.9811  5439.74   214.466   5427.74   303.310   5451.74   303.292   200.901 5.6366  201.346 5.6238  -0.4457092     7.962284 
1 1 1 3   14  5  o 133.397 2.8718  2388.70   102.608   2369.70   145.240   2407.64   144.980   132.866 4.0812  133.929 4.0415  -1.062561      5.743678 
1 1 1 3   14  6  f 45.297  1.8044  275.892   21.797    285.300   31.005    266.699   30.649    46.065  2.5225  44.529  2.5808  1.535973       3.608774 
1 1 1 3   14  7  o 233.058 4.5828  7322.24   286.056   7220.07   404.787   7424.16   404.301   231.422 6.5303  234.694 6.4315  -3.271240      9.165657 
1 1 1 3   14  8  o 47.129  1.8254  298.749   22.935    314.504   32.577    283.266   32.295    48.369  2.5232  45.889  2.6386  2.480515       3.650893 
1 1 1 3   14  9  o 235.551 4.5920  7484.30   289.668   7333.58   409.815   7634.77   409.491   233.163 6.5620  237.939 6.4253  -4.775223      9.183902 
1 1 1 3   14  10 o 89.417  2.2908  1072.67   54.863    1077.36   77.914    1068.06   77.266    89.610  3.2462  89.223  3.2331  0.3869705      4.581572 
1 1 1 3   14  11 f 107.031 2.5049  1537.58   71.809    1553.59   101.891   1521.78   101.217   107.585 3.5359  106.477 3.5490  1.107864       5.009778 
1 1 1 3   14  12 o 113.346 2.5814  1725.26   78.355    1690.75   110.978   1759.55   110.645   112.212 3.6924  114.479 3.6084  -2.267090      5.162788 
1 1 1 3   14  13 o 55.053  1.9515  407.504   28.597    455.265   40.880    361.738   40.017    58.262  2.6197  51.845  2.8933  6.416870       3.903035 
1 1 1 3   14  14 o 130.110 2.8417  2276.43   99.026    2252.92   140.232   2299.81   139.857   129.436 4.0448  130.783 3.9925  -1.346985      5.683366 
1 1 1 3   14  15 o 117.435 2.6861  1855.20   84.473    1903.17   119.632   1807.51   119.294   118.955 3.7547  115.915 3.8423  3.039696       5.372261 
1 1 1 3   14  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   14  17 o 81.096  2.2044  884.763   47.854    924.411   67.926    845.697   67.427    82.906  3.0589  79.285  3.1751  3.621201       4.408818 
1 1 1 3   14  18 o 65.891  2.0344  584.068   35.889    607.784   51.084    560.953   50.433    67.216  2.8374  64.566  2.9162  2.649612       4.068820 
1 1 1 3   14  19 o 38.149  1.9219  197.149   19.458    213.420   27.576    181.015   27.460    39.742  2.6050  36.555  2.8265  3.186577       3.843856 
1 1 1 3   14  20 o 67.894  2.0647  622.158   37.511    589.416   52.965    655.106   53.132    66.089  2.9921  69.700  2.8460  -3.610664      4.129435 
1 1 1 3   14  21 o 46.977  1.9511  298.900   24.436    292.248   34.614    305.509   34.502    46.447  2.7953  47.507  2.7228  -1.059402      3.902210 
1 1 1 3   14  22 o 35.086  2.0169  168.123   18.648    191.334   26.470    145.250   26.276    37.553  2.6486  32.619  3.0425  4.933430       4.033852 
1 1 1 3   14  23 o 57.510  2.0445  448.566   31.425    461.803   44.377    435.253   44.506    58.411  2.8364  56.610  2.9454  1.800991       4.089087 
1 1 1 3   14  24 o 43.875  1.9983  262.118   23.336    275.337   33.044    248.967   32.961    45.001  2.7547  42.749  2.8956  2.251678       3.996659 
1 1 1 3   14  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   14  26 o 35.966  2.0399  177.407   19.459    166.373   27.351    188.717   27.692    34.804  2.9622  37.128  2.8053  -2.324509      4.079725 
1 1 1 3   14  27 o 39.026  2.1381  210.529   21.986    179.788   30.862    242.210   31.330    36.030  3.2323  42.022  2.7995  -5.991875      4.276111 
1 1 1 3   14  28 o 12.214  2.6611  17.928    11.174    35.878    15.704    -0.4805   15.903    15.730  3.7754  8.6985  3.7513  7.031383       5.322155 
1 1 1 3   14  29 o 11.794  2.8906  18.278    11.204    15.371    16.085    21.018    15.616    11.252  4.1054  12.336  4.0705  -1.084093      5.781296 
1 1 1 3   14  30 o 8.4535  2.4480  -2.2048   10.172    13.773    14.117    -19.4570  14.670    10.593  3.8490  6.3140  3.0260  4.278904       4.896089 
1 1 1 3   14  31 o 22.297  2.6604  72.810    15.261    79.325    21.319    65.963    21.856    23.464  3.4992  21.131  4.0082  2.332720       5.320713 
1 1 1 3   14  32 o 14.280  3.1183  30.393    13.171    33.356    18.521    27.362    18.735    14.883  4.3634  13.676  4.4560  1.206591       6.236603 
1 1 1 3   14  33 o 12.028  4.5331  18.102    19.897    0.0000    0.0000    18.102    19.897    ?       ?       12.028  4.5331  ?              ?        
1 1 1 3   14  34 o 30.271  2.4736  133.984   19.668    127.882   27.689    140.199   27.942    29.513  3.5757  31.029  3.4188  -1.515619      4.947144 
1 1 1 3   15  0  o 238.377 4.6170  7649.70   294.785   7697.96   416.416   7601.21   417.364   239.136 6.5012  237.618 6.5576  1.518219       9.234082 
1 1 1 3   15  1  o 65.853  1.9514  581.404   34.417    587.148   48.502    575.578   48.847    66.181  2.7361  65.525  2.7832  0.6564102      3.902878 
1 1 1 3   15  2  o 109.872 2.4909  1619.80   73.286    1656.63   103.441   1582.68   103.845   111.129 3.4752  108.615 3.5695  2.513626       4.981799 
1 1 1 3   15  3  o 64.061  1.9488  550.758   33.386    586.491   47.226    515.057   47.205    66.142  2.6657  61.979  2.8435  4.163181       3.897600 
1 1 1 3   15  4  f 88.185  2.2351  1043.09   52.790    1057.27   74.645    1028.90   74.668    88.785  3.1388  87.584  3.1829  1.201279       4.470251 
1 1 1 3   15  5  o 32.184  1.8304  139.800   15.635    145.821   22.169    133.841   22.055    32.883  2.5366  31.485  2.6395  1.397835       3.660846 
1 1 1 3   15  6  o 161.047 3.3546  3486.40   144.693   3443.99   204.803   3528.67   204.450   160.065 4.7770  162.029 4.7109  -1.964020      6.709111 
1 1 1 3   15  7  o 62.888  2.0029  530.432   33.704    561.837   47.964    499.798   47.370    64.729  2.7665  61.047  2.8970  3.682003       4.005807 
1 1 1 3   15  8  o 109.163 2.5386  1599.49   74.222    1590.72   105.251   1608.16   104.682   108.864 3.6096  109.462 3.5704  -0.5980148     5.077107 
1 1 1 3   15  9  o 81.474  2.1883  890.358   47.745    916.989   67.960    864.403   67.092    82.678  3.0688  80.270  3.1205  2.407890       4.376687 
1 1 1 3   15  10 o 86.908  2.2214  1014.05   51.669    970.157   73.220    1057.59   72.921    85.030  3.2149  88.786  3.0663  -3.756767      4.442781 
1 1 1 3   15  11 o 83.801  2.1947  942.298   49.259    950.744   69.982    934.004   69.348    84.173  3.1041  83.428  3.1034  0.7442627      4.389308 
1 1 1 3   15  12 o 88.964  2.3018  1062.52   54.846    1074.21   77.875    1051.00   77.257    89.450  3.2504  88.477  3.2600  0.9723740      4.603509 
1 1 1 3   15  13 o 231.596 4.5131  7264.86   279.921   7413.25   396.276   7117.07   395.460   233.980 6.3231  229.211 6.4414  4.769272       9.026231 
1 1 1 3   15  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   15  15 o 103.811 2.4873  1450.44   69.159    1464.06   98.009    1436.93   97.603    104.298 3.5084  103.324 3.5268  0.9736099      4.974588 
1 1 1 3   15  16 o 126.086 2.8419  2146.00   95.977    2155.17   135.916   2136.88   135.547   126.355 4.0160  125.816 4.0222  0.5390091      5.683854 
1 1 1 3   15  17 o 75.125  2.1300  759.979   42.860    763.783   60.816    756.226   60.412    75.312  3.0149  74.939  3.0097  0.3727798      4.260033 
1 1 1 3   15  18 o 55.062  1.9965  409.436   29.343    419.766   41.787    399.388   41.213    55.752  2.8073  54.373  2.8397  1.378948       3.993080 
1 1 1 3   15  19 o 14.141  2.6043  28.084    9.9634    29.401    14.248    26.824    13.938    14.453  3.6727  13.829  3.6933  0.6248598      5.208566 
1 1 1 3   15  20 o 11.968  2.5612  19.121    9.0302    24.746    13.266    14.264    12.327    13.288  3.6261  10.648  3.6182  2.639962       5.122499 
1 1 1 3   15  21 o 34.738  1.9994  164.185   18.440    166.770   26.217    161.653   25.943    35.012  2.8195  34.464  2.8355  0.5480423      3.998730 
1 1 1 3   15  22 o 30.813  2.0471  129.672   16.692    125.839   23.486    133.585   23.728    30.342  2.9261  31.283  2.8636  -0.9407368     4.094162 
1 1 1 3   15  23 o 19.515  2.5020  53.528    12.581    48.632    17.637    58.601    17.953    18.552  3.6792  20.478  3.3917  -1.925955      5.004018 
1 1 1 3   15  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   15  25 o 19.051  2.6478  51.656    13.004    67.952    18.956    37.170    17.872    22.037  3.3140  16.065  4.1304  5.972645       5.295560 
1 1 1 3   15  26 o 35.976  2.0861  178.310   19.923    174.683   27.987    182.036   28.367    35.599  2.9621  36.353  2.9384  -0.7542038     4.172278 
1 1 1 3   15  27 o 20.517  2.6667  60.832    14.047    50.478    19.873    71.168    19.857    18.609  4.0980  22.426  3.4135  -3.817408      5.333432 
1 1 1 3   15  28 o 27.606  2.3226  107.367   16.790    98.350    23.477    116.808   24.021    26.355  3.4053  28.857  3.1594  -2.501656      4.645198 
1 1 1 3   15  29 o 41.547  2.1660  241.438   23.927    249.217   33.960    233.771   33.717    42.239  3.0216  40.856  3.1043  1.382587       4.332059 
1 1 1 3   15  30 o 24.369  2.5874  85.972    16.353    89.456    23.099    82.471    23.154    24.918  3.5622  23.819  3.7535  1.098982       5.174746 
1 1 1 3   15  31 o 28.407  2.4497  115.801   18.250    113.488   25.523    118.221   26.106    28.115  3.4624  28.700  3.4662  -0.5848083     4.899299 
1 1 1 3   15  32 o 9.6245  2.8148  5.1963    11.983    -0.2261   16.712    10.934    17.191    8.7731  3.8143  10.476  4.1405  -1.702793      5.629556 
1 1 1 3   15  33 o 19.913  3.0553  61.750    15.866    71.160    22.225    51.971    22.656    21.705  3.9692  18.121  4.6459  3.583464       6.110557 
1 1 1 3   16  0  o 82.038  2.1316  902.641   46.834    912.501   65.937    892.603   66.533    82.491  2.9843  81.585  3.0447  0.9065094      4.263300 
1 1 1 3   16  1  o 94.766  2.2943  1204.56   58.233    1191.30   82.015    1218.05   82.697    94.240  3.2492  95.293  3.2400  -1.052490      4.588513 
1 1 1 3   16  2  o 258.985 4.9900  9052.34   346.147   8983.66   489.133   9121.25   489.918   257.995 7.0783  259.975 7.0356  -1.980194      9.980062 
1 1 1 3   16  3  o 125.070 2.7645  2100.08   92.609    2111.59   130.816   2088.53   131.122   125.414 3.8943  124.725 3.9249  0.6890106      5.529041 
1 1 1 3   16  4  o 224.967 4.4251  6822.53   266.587   6658.90   376.818   6986.50   377.204   222.250 6.3300  227.685 6.1852  -5.435074      8.850141 
1 1 1 3   16  5  o 121.798 2.7029  1991.79   88.160    2041.27   124.841   1942.56   124.513   123.310 3.7798  120.285 3.8647  3.024902       5.405811 
1 1 1 3   16  6  o 184.704 3.7370  4590.85   184.871   4641.41   261.751   4540.52   261.144   185.723 5.2618  183.686 5.3078  2.037369       7.473902 
1 1 1 3   16  7  o 70.463  2.1026  665.943   39.682    673.409   56.316    658.582   55.923    70.855  2.9674  70.070  2.9796  0.7848129      4.205178 
1 1 1 3   16  8  o 76.444  2.1487  783.893   43.994    795.042   62.493    772.939   61.943    76.983  3.0308  75.904  3.0467  1.078316       4.297453 
1 1 1 3   16  9  o 86.436  2.2567  1002.88   52.235    983.578   74.149    1021.89   73.596    85.608  3.2337  87.264  3.1487  -1.656097      4.513441 
1 1 1 3   16  10 o 96.278  2.3976  1244.59   61.826    1265.64   87.751    1223.83   87.122    97.088  3.3744  95.468  3.4071  1.619568       4.795284 
1 1 1 3   16  11 o 118.406 2.6680  1884.59   84.613    1897.51   119.987   1871.82   119.339   118.810 3.7704  118.002 3.7758  0.8077698      5.335975 
1 1 1 3   16  12 o 193.235 3.8664  5047.75   200.111   5017.19   283.250   5078.19   282.749   192.644 5.4894  193.826 5.4463  -1.181763      7.732752 
1 1 1 3   16  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   16  14 o 56.270  1.9749  425.944   29.713    435.294   42.421    416.939   41.631    56.912  2.7828  55.628  2.8030  1.284054       3.949828 
1 1 1 3   16  15 o 80.886  2.2114  881.351   47.880    846.771   67.841    915.670   67.585    79.295  3.1941  82.477  3.0593  -3.181816      4.422897 
1 1 1 3   16  16 o 97.582  2.4092  1285.44   62.929    1342.39   89.244    1229.13   88.749    99.746  3.3404  95.417  3.4725  4.328972       4.818381 
1 1 1 3   16  17 o 71.279  2.0999  685.279   40.085    699.774   56.826    670.924   56.553    72.033  2.9453  70.524  2.9938  1.508621       4.199728 
1 1 1 3   16  18 o 53.071  1.9977  381.087   28.290    390.539   40.247    371.856   39.773    53.727  2.8065  52.416  2.8436  1.311493       3.995319 
1 1 1 3   16  19 o 41.185  1.9723  229.931   21.595    247.944   31.015    212.983   30.085    42.769  2.7216  39.601  2.8554  3.167606       3.944654 
1 1 1 3   16  20 o 43.702  1.9961  260.474   23.082    227.632   32.700    293.090   32.587    40.893  3.0065  46.511  2.6265  -5.618027      3.992195 
1 1 1 3   16  21 o 26.641  2.1647  97.785    15.075    108.768   21.355    86.874    21.284    28.196  2.8675  25.086  3.2436  3.109915       4.329332 
1 1 1 3   16  22 o 40.867  2.0114  227.636   21.879    226.992   31.060    228.270   30.825    40.805  2.8599  40.928  2.8292  -0.1229439     4.022851 
1 1 1 3   16  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   16  24 o 78.456  2.2728  843.443   47.760    849.697   67.479    837.165   67.608    78.756  3.1989  78.156  3.2296  0.5998383      4.545639 
1 1 1 3   16  25 o 26.375  2.3825  98.102    16.219    82.376    23.043    113.540   22.831    24.125  3.6827  28.624  3.0237  -4.498934      4.764949 
1 1 1 3   16  26 o 40.153  2.1230  223.100   22.646    235.469   32.327    211.181   31.735    41.276  2.9433  39.029  3.0602  2.246590       4.245937 
1 1 1 3   16  27 o 18.905  2.7158  53.078    13.576    82.711    19.623    25.876    18.801    24.251  3.0913  13.558  4.4661  10.69276       5.431569 
1 1 1 3   16  28 o 17.589  2.7421  46.126    12.923    66.114    18.466    26.944    18.090    21.513  3.3108  13.665  4.3720  7.847646       5.484141 
1 1 1 3   16  29 o 9.9618  2.6856  5.3977    11.394    22.010    16.017    -11.6209  16.212    12.483  4.1227  7.4401  3.4430  5.043305       5.371265 
1 1 1 3   16  30 o 14.359  3.0804  30.771    12.889    29.611    18.440    31.879    18.022    14.128  4.4005  14.590  4.3119  -0.4620199     6.160879 
1 1 1 3   16  31 o 10.117  2.8578  9.3351    11.736    7.1235    16.820    11.433    16.382    9.8132  4.0182  10.420  4.0648  -0.6067152     5.715652 
1 1 1 3   16  32 o 18.592  2.7944  53.211    15.468    10.955    21.470    98.814    22.304    11.080  4.5387  26.105  3.2610  -15.02467      5.588723 
1 1 1 3   17  0  o 146.918 3.0870  2899.75   121.474   2907.93   171.244   2891.47   172.341   147.129 4.3454  146.708 4.3858  0.4212341      6.173936 
1 1 1 3   17  1  o 102.258 2.3918  1403.35   65.497    1426.23   92.235    1380.08   93.024    103.101 3.3400  101.415 3.4246  1.686653       4.783614 
1 1 1 3   17  2  o 245.770 4.7670  8151.40   313.807   8105.00   443.366   8197.99   444.215   245.066 6.7545  246.475 6.7287  -1.409058      9.534053 
1 1 1 3   17  3  o 8.4201  2.2794  1.8425    8.2064    14.272    11.716    -10.1281  11.498    10.612  3.5270  6.2282  2.8883  4.383845       4.558739 
1 1 1 3   17  4  o 86.193  2.2415  996.684   51.746    986.486   73.073    1006.94   73.288    85.750  3.1815  86.636  3.1583  -0.8856430     4.482926 
1 1 1 3   17  5  o 212.958 4.2071  6112.16   239.976   6103.42   339.454   6120.90   339.301   212.805 5.9554  213.112 5.9441  -0.3070526     8.414235 
1 1 1 3   17  6  o 21.737  2.2708  64.768    12.823    65.298    18.155    64.240    18.114    21.830  3.2000  21.645  3.2227  0.1848545      4.541535 
1 1 1 3   17  7  o 168.314 3.4242  3812.18   154.370   3837.87   218.617   3786.64   218.010   168.882 4.8330  167.747 4.8521  1.134125       6.848393 
1 1 1 3   17  8  o 192.442 3.8720  4993.40   199.583   5004.24   282.628   4982.62   281.879   192.650 5.4772  192.234 5.4745  0.4161224      7.744001 
1 1 1 3   17  9  o 111.934 2.5961  1683.98   77.797    1752.61   110.465   1616.43   109.583   114.204 3.6112  109.665 3.7307  4.539093       5.192203 
1 1 1 3   17  10 o 90.390  2.3095  1097.72   55.913    1104.94   79.370    1090.60   78.780    90.685  3.2676  90.095  3.2646  0.5900116      4.618951 
1 1 1 3   17  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   17  12 o 78.848  2.1900  835.942   46.249    842.704   65.741    829.315   65.077    79.163  3.1005  78.533  3.0938  0.6306992      4.379982 
1 1 1 3   17  13 o 47.735  1.9452  307.556   24.746    299.953   35.404    314.818   34.601    47.147  2.8164  48.322  2.6839  -1.174442      3.890443 
1 1 1 3   17  14 o 47.488  1.9720  304.555   24.890    337.042   35.630    273.593   34.784    49.986  2.6709  44.990  2.9020  4.996536       3.943990 
1 1 1 3   17  15 o 61.021  2.0357  501.911   33.261    491.181   47.279    512.424   46.801    60.369  2.9239  61.673  2.8331  -1.303490      4.071371 
1 1 1 3   17  16 f 78.348  2.2208  829.236   46.603    827.573   66.164    830.873   65.652    78.267  3.1561  78.429  3.1252  -0.1625595     4.441637 
1 1 1 3   17  17 o 14.410  2.6282  29.202    10.247    32.910    14.634    25.634    14.353    15.273  3.6307  13.547  3.8009  1.725772       5.256369 
1 1 1 3   17  18 o 32.829  2.0560  146.716   17.821    163.799   25.671    130.825   24.760    34.709  2.7847  30.949  3.0255  3.760090       4.111948 
1 1 1 3   17  19 o 45.945  2.0311  286.923   24.814    311.035   35.347    263.493   34.842    47.879  2.7680  44.010  2.9732  3.869209       4.062222 
1 1 1 3   17  20 o 39.476  2.0225  211.994   21.226    222.363   30.610    202.391   29.459    40.413  2.8460  38.540  2.8745  1.873066       4.045008 
1 1 1 3   17  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   17  22 o 64.126  2.1571  561.581   36.948    594.358   52.536    529.502   51.973    66.046  2.9698  62.206  3.1293  3.839638       4.314141 
1 1 1 3   17  23 o 62.390  2.1335  533.094   35.557    561.846   50.508    504.844   50.065    64.128  2.9405  60.652  3.0920  3.476288       4.267000 
1 1 1 3   17  24 o 51.978  2.1236  371.978   29.430    383.196   41.685    360.830   41.554    52.782  2.9605  51.174  3.0454  1.607426       4.247228 
1 1 1 3   17  25 o 32.873  2.2256  151.150   19.106    178.636   27.323    124.851   26.727    35.943  2.8619  29.804  3.4093  6.138281       4.451247 
1 1 1 3   17  26 o 12.368  2.9335  20.981    11.468    19.762    16.249    22.190    16.186    12.120  4.1539  12.616  4.1434  -0.4959612     5.867020 
1 1 1 3   17  27 f 23.930  2.6263  84.086    15.888    63.840    22.667    103.643   22.277    20.752  4.2216  27.108  3.1254  -6.356268      5.252631 
1 1 1 3   17  28 o 9.9142  2.8378  7.6132    11.708    6.4166    16.865    8.7263    16.266    9.7965  4.0189  10.032  4.0076  -0.2354965     5.675602 
1 1 1 3   17  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   17  30 o 21.274  2.8988  68.148    15.890    64.995    23.045    71.006    21.939    20.682  4.3003  21.866  3.8884  -1.184219      5.797585 
1 1 1 3   17  31 o 19.805  2.8353  61.534    15.799    108.951   22.854    18.130    21.865    27.477  3.1630  12.134  4.7064  15.34268       5.670534 
1 1 1 3   18  0  o 159.033 3.2405  3399.38   138.031   3390.88   194.570   3407.99   195.848   158.834 4.5735  159.232 4.5920  -0.3977356     6.480960 
1 1 1 3   18  1  o 83.792  2.1906  941.856   49.163    940.919   69.299    942.804   69.757    83.750  3.0892  83.833  3.1066  -0.8305359E-01 4.381126 
1 1 1 3   18  2  o 131.704 2.8622  2330.36   100.943   2387.07   142.524   2273.27   142.987   133.317 3.9913  130.090 4.1036  3.227371       5.724484 
1 1 1 3   18  3  o 126.190 2.8277  2138.93   95.574    2137.98   134.893   2139.89   135.432   126.163 3.9918  126.218 4.0060  -0.5492401E-01 5.655302 
1 1 1 3   18  4  o 207.117 4.1271  5785.37   228.824   6015.15   323.737   5555.95   323.474   211.255 5.7213  202.978 5.9498  8.276382       8.254296 
1 1 1 3   18  5  o 162.480 3.3309  3552.51   144.936   3471.74   204.875   3633.44   205.065   160.622 4.7621  164.337 4.6587  -3.714890      6.661885 
1 1 1 3   18  6  o 74.710  2.1214  749.141   42.445    737.457   60.099    760.769   59.954    74.127  3.0270  75.292  2.9729  -1.165359      4.242703 
1 1 1 3   18  7  o 102.108 2.5136  1401.70   68.653    1494.11   97.501    1310.83   96.683    105.457 3.4518  98.759  3.6550  6.698326       5.027281 
1 1 1 3   18  8  o 135.031 2.9305  2455.10   105.969   2408.72   150.123   2501.17   149.606   133.751 4.1904  136.310 4.0976  -2.558472      5.860913 
1 1 1 3   18  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   18  10 o 155.123 3.3021  3252.09   137.186   3210.83   194.340   3293.07   193.683   154.131 4.7074  156.115 4.6319  -1.984100      6.604106 
1 1 1 3   18  11 o 135.534 2.9947  2482.86   108.652   2391.19   153.864   2574.04   153.450   133.014 4.3187  138.054 4.1498  -5.040161      5.989329 
1 1 1 3   18  12 o 61.555  2.0319  509.862   33.499    513.951   47.673    505.875   47.082    61.799  2.8801  61.312  2.8669  0.4861145      4.063764 
1 1 1 3   18  13 o 31.200  1.9925  132.101   16.469    134.453   23.547    129.849   23.042    31.473  2.8233  30.927  2.8123  0.5461769      3.984984 
1 1 1 3   18  14 o 67.810  2.1164  620.286   38.436    631.450   54.714    609.410   54.006    68.414  2.9858  67.207  3.0001  1.206924       4.232740 
1 1 1 3   18  15 o 19.614  2.3398  53.401    11.845    57.173    17.005    49.845    16.508    20.316  3.2332  18.912  3.3832  1.404701       4.679697 
1 1 1 3   18  16 f 65.109  2.1030  573.221   36.671    571.558   52.182    574.844   51.546    65.011  2.9967  65.208  2.9512  -0.1960983     4.205937 
1 1 1 3   18  17 o 43.050  1.9889  251.549   22.803    258.108   32.487    245.179   32.016    43.608  2.7960  42.491  2.8292  1.117477       3.977710 
1 1 1 3   18  18 o 20.248  2.5629  59.646    13.042    34.009    18.393    85.570    18.495    15.504  4.2859  24.991  2.8118  -9.487050      5.125901 
1 1 1 3   18  19 o 43.504  2.0099  257.713   23.287    252.671   33.001    262.712   32.864    43.070  2.8772  43.939  2.8071  -0.8688316     4.019745 
1 1 1 3   18  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   18  21 o 40.401  2.0760  223.557   22.298    234.506   31.838    213.017   31.239    41.391  2.8900  39.412  2.9812  1.978600       4.152067 
1 1 1 3   18  22 o 26.981  2.2982  101.251   16.265    105.541   23.351    97.208    22.669    27.551  3.2253  26.412  3.2747  1.139128       4.596322 
1 1 1 3   18  23 o 34.146  2.1769  161.862   19.535    186.211   27.962    138.646   27.303    36.754  2.8629  31.537  3.2802  5.217150       4.353827 
1 1 1 3   18  24 o 17.050  2.8584  42.717    12.873    38.963    18.515    46.230    17.912    16.275  4.2141  17.824  3.8632  -1.549500      5.716887 
1 1 1 3   18  25 o 23.900  2.5365  82.111    15.614    93.045    22.084    71.183    22.078    25.644  3.2911  22.156  3.8606  3.487837       5.073050 
1 1 1 3   18  26 o 11.630  2.9125  16.835    11.542    23.776    16.918    10.792    15.787    12.947  4.2351  10.313  3.9994  2.633957       5.825068 
1 1 1 3   18  27 o 22.265  2.6984  72.368    15.505    76.032    22.071    68.797    21.786    22.872  3.7314  21.658  3.8989  1.213547       5.396790 
1 1 1 3   18  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   18  29 o 24.322  2.7537  87.630    17.327    86.855    24.776    88.371    24.240    24.174  3.9638  24.469  3.8236  -0.2953911     5.507404 
1 1 1 3   18  30 o 13.782  3.0803  28.116    13.429    41.002    19.169    15.700    18.817    16.193  4.3340  11.370  4.3784  4.822977       6.160676 
1 1 1 3   19  0  o 98.402  2.3821  1300.14   62.755    1335.32   88.322    1264.27   89.183    99.751  3.3057  97.053  3.4307  2.697937       4.764189 
1 1 1 3   19  1  o 56.020  1.8977  420.827   28.469    409.278   40.023    432.655   40.504    55.242  2.7049  56.799  2.6624  -1.557003      3.795368 
1 1 1 3   19  2  o 107.545 2.5448  1553.38   73.293    1579.46   103.385   1527.02   103.921   108.456 3.5589  106.633 3.6385  1.822273       5.089654 
1 1 1 3   19  3  o 96.400  2.3713  1247.65   61.225    1231.10   86.321    1264.40   86.851    95.755  3.3656  97.044  3.3413  -1.288231      4.742570 
1 1 1 3   19  4  o 96.920  2.3716  1261.70   61.559    1282.44   86.900    1240.81   87.215    97.723  3.3200  96.118  3.3876  1.604370       4.743257 
1 1 1 3   19  5  o 96.044  2.3836  1239.37   61.315    1253.66   86.695    1225.07   86.731    96.600  3.3506  95.489  3.3911  1.111618       4.767175 
1 1 1 3   19  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   19  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   19  8  o 70.406  2.1100  666.409   39.788    658.836   56.408    673.906   56.130    70.006  3.0083  70.806  2.9596  -0.8004532     4.220089 
1 1 1 3   19  9  o 124.985 2.8589  2108.82   95.708    2122.96   135.690   2094.82   135.015   125.403 4.0397  124.567 4.0466  0.8353500      5.717888 
1 1 1 3   19  10 o 40.104  1.9575  217.362   20.898    217.538   29.697    217.188   29.412    40.119  2.7808  40.089  2.7559  0.2940750E-01  3.915057 
1 1 1 3   19  11 o 29.627  2.0451  119.379   16.016    116.769   22.795    121.924   22.507    29.296  2.9448  29.958  2.8387  -0.6618652     4.090251 
1 1 1 3   19  12 o 96.463  2.4415  1258.04   63.080    1261.47   89.561    1254.67   88.861    96.591  3.4617  96.335  3.4438  0.2558136      4.882973 
1 1 1 3   19  13 o 34.929  2.0222  166.206   18.684    153.100   26.694    178.793   26.160    33.541  3.0032  36.316  2.7088  -2.775612      4.044335 
1 1 1 3   19  14 o 50.155  2.0241  340.953   27.069    336.184   38.623    345.558   37.949    49.800  2.9081  50.511  2.8162  -0.7104874     4.048243 
1 1 1 3   19  15 o 65.077  2.1011  572.854   36.620    584.896   52.176    561.163   51.409    65.753  2.9625  64.402  2.9803  1.351768       4.202218 
1 1 1 3   19  16 o 50.137  2.0460  341.219   27.330    362.907   39.079    320.457   38.235    51.716  2.8319  48.559  2.9537  3.156414       4.091977 
1 1 1 3   19  17 o 33.879  2.0700  156.935   18.492    177.189   26.428    137.509   25.882    36.075  2.7560  31.682  3.0893  4.393166       4.139953 
1 1 1 3   19  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   19  19 o 60.745  2.1018  502.517   34.196    500.826   48.572    504.179   48.151    60.637  2.9906  60.852  2.9542  -0.2150040     4.203668 
1 1 1 3   19  20 o 42.589  2.1197  249.471   23.959    231.893   34.148    266.514   33.625    41.056  3.1289  44.123  2.8606  -3.066944      4.239434 
1 1 1 3   19  21 o 45.974  2.1311  290.677   26.088    301.349   37.435    280.602   36.375    46.802  3.0021  45.146  3.0256  1.655666       4.262295 
1 1 1 3   19  22 o 34.611  2.1771  166.248   19.887    185.100   28.486    148.325   27.776    36.595  2.9307  32.627  3.2204  3.968086       4.354263 
1 1 1 3   19  23 o 14.258  2.7776  29.328    11.870    13.352    17.112    44.143    16.479    11.058  4.1951  17.458  3.6418  -6.400851      5.555294 
1 1 1 3   19  24 o 16.908  2.7657  43.063    13.361    16.734    19.081    68.390    18.714    11.893  4.4476  21.922  3.2886  -10.02914      5.531330 
1 1 1 3   19  25 f 21.297  2.7611  66.626    15.116    76.096    21.390    57.178    21.364    22.979  3.5929  19.615  4.1935  3.363939       5.522217 
1 1 1 3   19  26 o 31.647  2.3564  142.194   19.672    144.204   28.065    140.252   27.582    31.866  3.3376  31.427  3.3272  0.4385223      4.712763 
1 1 1 3   19  27 o 26.586  2.9914  105.085   20.109    104.540   31.878    105.446   25.915    26.223  4.7118  26.950  3.6868  -0.7271976     5.982802 
1 1 1 3   19  28 o 22.082  2.9225  73.692    16.624    68.759    23.849    78.354    23.185    21.222  4.3418  22.942  3.9133  -1.719830      5.845098 
1 1 1 3   19  29 o 30.312  2.5412  135.697   20.190    128.758   28.713    142.483   28.396    29.436  3.7251  31.187  3.4576  -1.750900      5.082415 
1 1 1 3   20  0  o 129.319 2.8655  2248.25   99.251    2257.71   139.869   2238.66   140.859   129.596 4.0294  129.042 4.0753  0.5533295      5.731031 
1 1 1 3   20  1  o 89.693  2.2743  1080.12   54.635    1073.48   76.796    1086.92   77.744    89.415  3.2066  89.972  3.2261  -0.5568314     4.548580 
1 1 1 3   20  2  o 104.574 2.4898  1469.64   69.735    1480.24   98.307    1458.90   98.938    104.956 3.4969  104.192 3.5452  0.7639999      4.979667 
1 1 1 3   20  3  o 97.320  2.4027  1273.02   62.627    1285.54   88.356    1260.37   88.781    97.803  3.3728  96.836  3.4229  0.9670563      4.805414 
1 1 1 3   20  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   20  5  o 51.825  1.9879  361.909   27.475    346.700   38.711    377.347   39.002    50.719  2.8612  52.932  2.7605  -2.212036      3.975775 
1 1 1 3   20  6  o 33.502  1.9566  151.844   17.399    151.792   24.416    151.898   24.799    33.499  2.7453  33.506  2.7887  -0.6374359E-02 3.913203 
1 1 1 3   20  7  o 46.194  1.9389  287.989   23.847    269.462   33.561    306.883   33.892    44.678  2.8189  47.710  2.6628  -3.031776      3.877737 
1 1 1 3   20  8  o 41.430  1.9400  231.866   21.405    234.491   30.465    229.307   30.080    41.662  2.7455  41.198  2.7416  0.4644661      3.879944 
1 1 1 3   20  9  o 7.2433  2.2024  -1.2103   7.6986    -3.2045   10.384    1.2238    11.472    6.6997  2.9568  7.7868  3.2649  -1.087091      4.404780 
1 1 1 3   20  10 o 26.096  2.0773  93.101    14.176    105.141   20.257    81.546    19.844    27.801  2.7566  24.390  3.1083  3.411352       4.154567 
1 1 1 3   20  11 o 86.720  2.3230  1017.17   53.951    1005.43   76.593    1028.73   76.006    86.215  3.3168  87.225  3.2533  -1.009644      4.645925 
1 1 1 3   20  12 o 74.351  2.2033  747.733   43.874    744.224   62.379    751.169   61.720    74.173  3.1398  74.529  3.0918  -0.3565750     4.406530 
1 1 1 3   20  13 o 72.456  2.1870  710.511   42.423    741.464   60.474    680.521   59.526    74.020  3.0502  70.892  3.1349  3.127884       4.373958 
1 1 1 3   20  14 o 95.307  2.4377  1235.05   62.190    1191.54   88.257    1277.97   87.646    93.609  3.5200  97.005  3.3733  -3.395607      4.875390 
1 1 1 3   20  15 o 35.353  2.0380  170.332   19.126    172.704   27.397    168.077   26.713    35.591  2.8991  35.115  2.8651  0.4757881      4.075993 
1 1 1 3   20  16 o 36.741  2.0584  184.292   20.081    183.364   28.794    185.171   28.020    36.639  2.9594  36.843  2.8619  -0.2043610     4.116823 
1 1 1 3   20  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   20  18 o 24.327  2.4363  82.530    15.381    91.359    22.229    74.420    21.305    25.631  3.3157  23.023  3.5705  2.608118       4.872589 
1 1 1 3   20  19 o 48.988  2.1314  329.456   27.824    339.721   39.654    319.501   39.051    49.752  2.9895  48.224  3.0388  1.527901       4.262833 
1 1 1 3   20  20 o 31.338  2.2588  136.602   18.658    145.957   26.477    127.373   26.296    32.453  3.0830  30.222  3.3022  2.230318       4.517626 
1 1 1 3   20  21 o 48.975  2.1453  332.260   27.831    378.175   39.850    288.542   38.884    52.385  2.8508  45.565  3.2065  6.819820       4.290547 
1 1 1 3   20  22 o 27.495  2.3044  106.749   16.579    99.221    23.690    113.975   23.210    26.463  3.4223  28.527  3.0868  -2.063734      4.608746 
1 1 1 3   20  23 f 31.431  2.3122  139.334   19.156    147.408   27.242    131.437   26.942    32.382  3.1820  30.481  3.3555  1.900671       4.624322 
1 1 1 3   20  24 o 32.030  2.3751  145.596   20.040    141.825   28.868    149.104   27.841    31.566  3.4717  32.494  3.2421  -0.9277077     4.750164 
1 1 1 3   20  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   20  26 o 18.923  2.9851  54.087    14.747    56.281    20.999    51.952    20.715    19.329  4.1780  18.516  4.2647  0.8126488      5.970160 
1 1 1 3   20  27 o 25.102  2.7509  93.969    17.818    86.196    25.510    101.372   24.896    23.915  4.1320  26.290  3.6326  -2.374962      5.501751 
1 1 1 3   21  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   21  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   21  2  o 51.479  1.9626  356.986   26.960    357.470   37.997    356.496   38.259    51.515  2.7638  51.442  2.7871  0.7296753E-01  3.925130 
1 1 1 3   21  3  o 7.0374  2.0922  -5.7253   7.7087    -19.3001  10.889    7.9144    10.915    5.1270  2.4933  8.9479  3.3604  -3.820972      4.184320 
1 1 1 3   21  4  o 82.713  2.2178  920.554   49.132    906.898   69.286    934.366   69.683    82.095  3.1510  83.332  3.1219  -1.237602      4.435639 
1 1 1 3   21  5  o 71.462  2.0989  687.197   40.171    673.154   56.625    701.425   56.997    70.725  2.9892  72.199  2.9473  -1.474701      4.197848 
1 1 1 3   21  6  o 69.576  2.0750  651.891   38.658    669.558   54.681    634.237   54.660    70.523  2.8948  68.628  2.9736  1.895233       4.149949 
1 1 1 3   21  7  o 64.850  2.0732  566.686   36.010    573.869   50.982    559.536   50.869    65.262  2.9165  64.438  2.9473  0.8242722      4.146443 
1 1 1 3   21  8  o 77.302  2.2205  807.009   45.956    781.202   65.116    832.619   64.867    76.059  3.1963  78.545  3.0833  -2.485680      4.441039 
1 1 1 3   21  9  o 34.948  1.9652  165.798   18.235    160.200   25.800    171.385   25.775    34.346  2.8297  35.549  2.7278  -1.203369      3.930361 
1 1 1 3   21  10 o 45.942  1.9795  285.955   24.230    297.642   34.447    274.510   34.089    46.882  2.7553  45.001  2.8428  1.881168       3.958921 
1 1 1 3   21  11 o 76.201  2.2349  786.328   45.614    788.045   64.783    784.640   64.236    76.281  3.1707  76.121  3.1505  0.1595993      4.469797 
1 1 1 3   21  12 o 25.052  2.2068  86.436    14.459    81.801    20.586    90.949    20.313    24.354  3.2360  25.750  3.0014  -1.395910      4.413597 
1 1 1 3   21  13 o 28.292  2.1472  109.671   15.842    129.829   22.947    91.314    21.898    30.849  2.8079  25.735  3.2493  5.114073       4.294415 
1 1 1 3   21  14 o 79.060  2.2834  850.537   48.335    827.710   68.578    873.071   68.136    77.985  3.2831  80.135  3.1744  -2.150070      4.566788 
1 1 1 3   21  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   21  16 o 40.816  2.1499  229.549   23.174    203.442   33.114    254.606   32.442    38.453  3.2455  43.179  2.8206  -4.726376      4.299842 
1 1 1 3   21  17 o 80.240  2.3407  883.513   50.306    893.335   71.411    873.836   70.878    80.687  3.3042  79.794  3.3163  0.8924103      4.681434 
1 1 1 3   21  18 o 38.924  2.1573  209.088   22.297    203.235   31.731    214.798   31.339    38.358  3.1153  39.489  2.9850  -1.131107      4.314510 
1 1 1 3   21  19 o 57.576  2.2003  457.982   33.795    473.704   48.092    442.645   47.500    58.575  3.0761  56.577  3.1469  1.997391       4.400629 
1 1 1 3   21  20 o 28.572  2.3611  114.733   17.716    120.269   25.540    109.599   24.596    29.252  3.3185  27.893  3.3597  1.358709       4.722246 
1 1 1 3   21  21 o 33.021  2.3352  153.486   20.370    151.769   29.063    155.144   28.557    32.813  3.3540  33.229  3.2502  -0.4155769     4.670397 
1 1 1 3   21  22 o 50.574  2.2416  357.968   30.172    382.024   43.078    334.805   42.271    52.302  3.0888  48.845  3.2495  3.456234       4.483272 
1 1 1 3   21  23 o 9.0752  2.7332  1.6811    11.679    4.0651    16.871    -0.5119   16.182    9.4680  3.9639  8.6824  3.7640  0.7856579      5.466300 
1 1 1 3   21  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   21  25 o 17.859  3.0617  47.924    14.910    67.667    22.044    31.274    20.243    21.293  4.0122  14.425  4.6259  6.868519       6.123443 
1 1 1 3   21  26 o 15.131  3.2471  35.434    14.462    42.392    20.754    28.866    20.162    16.433  4.5563  13.829  4.6277  2.604171       6.494257 
1 1 1 3   22  0  o 47.960  1.9079  310.503   24.368    326.030   34.146    294.389   34.785    49.198  2.6004  46.721  2.7925  2.476864       3.815766 
1 1 1 3   22  1  o 30.749  1.9741  128.084   16.077    124.074   22.479    132.282   23.003    30.251  2.8063  31.248  2.7773  -0.9962940     3.948224 
1 1 1 3   22  2  o 84.333  2.2265  957.508   50.292    948.339   70.741    966.877   71.511    83.925  3.1470  84.741  3.1506  -0.8157654     4.453058 
1 1 1 3   22  3  o 73.130  2.1083  720.173   41.292    728.932   58.171    711.277   58.623    73.582  2.9515  72.678  3.0114  0.9043655      4.216655 
1 1 1 3   22  4  o 73.015  2.1425  718.432   41.895    703.448   59.072    733.598   59.427    72.245  3.0527  73.784  3.0070  -1.538940      4.284927 
1 1 1 3   22  5  o 31.620  1.9714  135.742   16.521    131.843   23.319    139.670   23.410    31.155  2.8251  32.085  2.7505  -0.9299107     3.942896 
1 1 1 3   22  6  o 51.111  1.9612  353.341   26.722    335.058   37.719    371.764   37.862    49.767  2.8414  52.455  2.7040  -2.687435      3.922395 
1 1 1 3   22  7  o 121.029 2.7738  1990.95   89.880    1923.09   127.071   2058.89   127.148   118.935 3.9889  123.123 3.8555  -4.188049      5.547588 
1 1 1 3   22  8  o 50.031  2.0068  339.098   26.782    340.337   37.891    337.860   37.861    50.123  2.8339  49.938  2.8423  0.1851883      4.013690 
1 1 1 3   22  9  o 48.201  1.9970  315.611   25.582    286.265   36.133    345.105   36.224    45.915  2.9538  50.487  2.6884  -4.571953      3.994035 
1 1 1 3   22  10 o 33.395  2.0548  152.163   18.157    141.221   25.636    163.176   25.719    32.159  3.0113  34.631  2.7965  -2.472271      4.109534 
1 1 1 3   22  11 o 13.848  2.8193  26.798    11.059    29.676    15.669    23.941    15.611    14.497  3.9347  13.199  4.0387  1.297035       5.638579 
1 1 1 3   22  12 o 97.575  2.5105  1299.06   65.609    1289.84   93.073    1308.17   92.501    97.219  3.5743  97.931  3.5264  -0.7123184     5.021061 
1 1 1 3   22  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   22  14 o 62.128  2.1666  526.851   35.987    521.134   51.206    532.431   50.586    61.743  3.1062  62.513  3.0212  -0.7699280     4.333147 
1 1 1 3   22  15 o 67.405  2.2206  621.366   40.087    634.128   57.121    608.980   56.273    68.091  3.1319  66.720  3.1489  1.371346       4.441226 
1 1 1 3   22  16 o 78.539  2.3407  848.467   49.238    856.783   70.031    840.337   69.242    78.918  3.3131  78.160  3.3075  0.7575760      4.681419 
1 1 1 3   22  17 o 40.932  2.1574  231.437   23.474    239.851   33.432    223.256   32.968    41.684  3.0147  40.180  3.0869  1.504261       4.314783 
1 1 1 3   22  18 o 54.489  2.1892  411.115   31.812    417.138   45.559    405.384   44.440    54.870  3.1128  54.108  3.0791  0.7614632      4.378342 
1 1 1 3   22  19 o 28.341  2.4201  113.575   17.941    123.959   25.634    103.604   25.119    29.687  3.2784  26.995  3.5609  2.691591       4.840237 
1 1 1 3   22  20 o 8.3775  2.5920  -2.0604   11.070    -0.7153   15.848    -3.3417   15.468    8.5953  3.7256  8.1598  3.6046  0.4354858      5.183971 
1 1 1 3   22  21 o 44.639  2.2697  279.484   26.854    311.497   38.655    249.621   37.334    47.203  3.0741  42.076  3.3402  5.127628       4.539471 
1 1 1 3   22  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   22  23 o 41.848  2.3336  248.122   25.911    265.504   37.491    232.227   35.852    43.285  3.2576  40.410  3.3424  2.875286       4.667248 
1 1 1 3   22  24 o 16.863  3.2385  44.216    15.021    46.469    20.943    41.829    21.556    17.333  4.4789  16.392  4.6788  0.9404964      6.476949 
1 1 1 3   23  0  o 75.121  2.1330  760.018   42.915    753.208   60.245    767.034   61.147    74.781  3.0077  75.462  3.0253  -0.6806946     4.265990 
1 1 1 3   23  1  o 72.972  2.1159  717.419   41.349    700.509   58.045    734.842   58.918    72.097  3.0058  73.847  2.9787  -1.749786      4.231706 
1 1 1 3   23  2  o 109.049 2.5548  1608.24   74.610    1565.41   104.869   1652.15   106.172   107.571 3.6397  110.527 3.5863  -2.956169      5.109688 
1 1 1 3   23  3  o 51.733  1.9498  361.681   26.910    348.594   37.831    375.085   38.285    50.777  2.7923  52.689  2.7221  -1.911648      3.899638 
1 1 1 3   23  4  o 40.706  1.9375  224.413   20.990    234.435   29.878    214.646   29.494    41.614  2.6950  39.797  2.7845  1.817520       3.875063 
1 1 1 3   23  5  o 56.559  2.0075  432.427   30.359    436.903   42.936    427.951   42.933    56.890  2.8177  56.227  2.8602  0.6633148      4.015000 
1 1 1 3   23  6  o 75.217  2.1564  765.364   43.442    771.223   61.327    759.463   61.548    75.510  3.0322  74.924  3.0669  0.5864792      4.312788 
1 1 1 3   23  7  o 47.726  2.0215  309.595   25.636    338.436   36.308    280.921   36.203    49.983  2.7223  45.469  2.9893  4.513779       4.043080 
1 1 1 3   23  8  o 123.640 2.8695  2089.50   95.030    2088.96   134.488   2090.04   134.297   123.622 4.0616  123.659 4.0547  -0.3636169E-01 5.739069 
1 1 1 3   23  9  o 63.315  2.1133  543.439   35.836    534.740   50.652    552.156   50.708    62.802  3.0112  63.828  2.9660  -1.026112      4.226625 
1 1 1 3   23  10 o 34.558  2.1191  163.602   19.330    146.253   27.246    181.184   27.428    32.658  3.1539  36.457  2.8311  -3.798546      4.238157 
1 1 1 3   23  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   23  12 o 35.026  2.1743  168.686   20.145    157.361   28.575    179.878   28.406    33.813  3.1929  36.238  2.9522  -2.424751      4.348514 
1 1 1 3   23  13 o 35.000  2.1482  168.693   19.906    160.468   28.398    176.636   27.909    34.122  3.1425  35.877  2.9299  -1.754883      4.296423 
1 1 1 3   23  14 o 13.718  2.9474  26.479    11.830    29.500    16.752    23.474    16.710    14.366  4.1321  13.071  4.2040  1.294891       5.894704 
1 1 1 3   23  15 o 49.796  2.1711  341.844   28.814    344.497   41.038    339.264   40.467    49.982  3.0804  49.609  3.0604  0.3732224      4.342184 
1 1 1 3   23  16 o 12.515  2.9081  20.735    11.612    12.971    16.201    28.938    16.653    10.870  4.0916  14.159  4.1336  -3.289527      5.816176 
1 1 1 3   23  17 o 18.520  2.8147  50.407    13.547    44.947    19.581    55.420    18.761    17.450  4.2327  19.589  3.7115  -2.139086      5.629458 
1 1 1 3   23  18 o 52.134  2.2378  379.321   31.096    375.518   44.209    383.044   43.746    51.852  3.1987  52.416  3.1302  -0.5639839     4.475510 
1 1 1 3   23  19 f 11.955  2.6949  15.658    11.860    -6.7754   17.106    36.420    16.457    8.2038  3.6954  15.705  3.9235  -7.501571      5.389750 
1 1 1 3   23  20 o 29.703  2.5140  126.021   19.580    133.338   27.944    118.964   27.442    30.602  3.4707  28.804  3.6381  1.797874       5.028029 
1 1 1 3   23  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   23  22 o 32.959  2.5160  156.663   21.857    157.072   31.146    156.267   30.680    32.986  3.5828  32.933  3.5333  0.5317688E-01  5.031957 
1 1 1 3   23  23 o 13.784  3.2293  28.266    14.183    35.540    19.855    20.687    20.267    15.143  4.5376  12.425  4.5961  2.718571       6.458609 
1 1 1 3   24  0  o 77.682  2.1592  814.801   44.921    819.058   63.143    810.439   63.918    77.893  3.0265  77.471  3.0804  0.4219666      4.318373 
1 1 1 3   24  1  o 115.720 2.6617  1817.13   82.496    1800.61   115.994   1834.03   117.351   115.189 3.7595  116.250 3.7688  -1.060333      5.323361 
1 1 1 3   24  2  o 23.331  2.1951  74.735    13.357    69.753    18.500    80.161    19.306    22.496  3.1571  24.166  3.0505  -1.669998      4.390132 
1 1 1 3   24  3  o 22.556  2.1720  70.069    12.761    65.544    17.927    74.716    18.168    21.786  3.1648  23.326  2.9757  -1.539656      4.344028 
1 1 1 3   24  4  o 52.317  2.3665  376.148   31.353    384.366   39.023    361.181   52.662    53.275  2.7440  51.359  3.8563  1.915428       4.732953 
1 1 1 3   24  5  f 93.294  2.4050  1182.04   60.098    1181.91   84.753    1182.17   85.231    93.292  3.3917  93.295  3.4107  -0.3028870E-02 4.810086 
1 1 1 3   24  6  o 47.852  2.0164  310.938   25.725    316.909   36.576    305.092   36.188    48.311  2.8390  47.393  2.8643  0.9181709      4.032887 
1 1 1 3   24  7  o 120.850 2.8488  2001.53   92.137    1903.68   130.023   2100.23   130.582   117.820 4.1201  123.880 3.9355  -6.060226      5.697659 
1 1 1 3   24  8  o 95.416  2.4741  1242.34   63.228    1227.65   89.175    1257.19   89.662    94.843  3.5103  95.989  3.4874  -1.145988      4.948121 
1 1 1 3   24  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   24  10 o 17.108  2.6787  42.268    12.137    56.470    17.178    28.111    17.150    20.077  3.3096  14.140  4.2128  5.937838       5.357306 
1 1 1 3   24  11 o 16.782  2.8017  40.345    12.516    31.039    17.375    50.382    18.043    14.748  4.1974  18.815  3.7122  -4.066855      5.603444 
1 1 1 3   24  12 o 19.607  2.6891  55.069    13.599    49.942    19.349    60.074    19.116    18.626  3.9980  20.588  3.5975  -1.961702      5.378261 
1 1 1 3   24  13 o 31.406  2.2782  137.564   18.809    126.747   26.938    147.855   26.274    30.122  3.3983  32.690  3.0354  -2.568138      4.556499 
1 1 1 3   24  14 o 26.448  2.4255  98.624    16.732    105.447   23.619    91.749    23.708    27.435  3.2791  25.461  3.5749  1.974407       4.851029 
1 1 1 3   24  15 o 40.772  2.2125  231.274   23.973    234.375   34.322    228.321   33.499    41.031  3.1470  40.512  3.1109  0.5186615      4.425054 
1 1 1 3   24  16 o 42.518  2.2402  252.570   25.319    246.479   35.956    258.561   35.659    41.977  3.2225  43.060  3.1128  -1.082447      4.480402 
1 1 1 3   24  17 o 17.194  2.9998  44.005    13.730    43.515    19.301    44.507    19.536    17.099  4.2360  17.290  4.2487  -0.1907253     5.999615 
1 1 1 3   24  18 o 14.108  3.1089  29.026    13.167    34.211    18.327    23.496    18.928    15.167  4.3090  13.048  4.4827  2.119049       6.217847 
1 1 1 3   24  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   24  20 o 41.157  2.3533  240.785   25.715    237.610   36.558    243.895   36.179    40.856  3.3707  41.457  3.2850  -0.6008072     4.706700 
1 1 1 3   24  21 o 24.517  2.9032  90.195    18.338    96.133    25.594    83.932    26.287    25.504  3.8680  23.530  4.3305  1.974422       5.806397 
1 1 1 3   25  0  o 34.737  1.9633  164.589   17.950    139.451   25.187    190.534   25.588    31.977  2.9748  37.496  2.5631  -5.518633      3.926667 
1 1 1 3   25  1  o 57.606  1.9990  449.238   30.783    455.852   43.219    442.428   43.855    58.081  2.7781  57.132  2.8750  0.9495316      3.997971 
1 1 1 3   25  2  o 61.599  2.0540  513.428   33.887    514.353   47.738    512.489   48.111    61.657  2.8906  61.540  2.9188  0.1179352      4.107909 
1 1 1 3   25  3  o 39.899  1.9553  216.386   20.754    207.495   29.306    225.330   29.394    39.062  2.8200  40.737  2.7094  -1.675278      3.910645 
1 1 1 3   25  4  o 31.895  2.0672  139.553   17.342    156.259   24.464    122.681   24.586    33.879  2.7189  29.910  3.1145  3.968546       4.134323 
1 1 1 3   25  5  o 45.443  2.0144  280.977   24.395    281.255   34.417    280.697   34.582    45.468  2.8403  45.418  2.8573  0.4959869E-01  4.028800 
1 1 1 3   25  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   25  7  o 76.350  2.2681  795.181   46.364    767.334   65.414    823.294   65.724    74.985  3.2569  77.714  3.1574  -2.729774      4.536180 
1 1 1 3   25  8  o 16.270  2.7622  37.855    11.979    30.405    16.710    45.732    17.182    14.613  4.1015  17.927  3.7010  -3.313699      5.524477 
1 1 1 3   25  9  o 24.945  2.3540  86.878    15.284    94.251    21.651    79.556    21.578    26.064  3.1664  23.826  3.4842  2.237604       4.708036 
1 1 1 3   25  10 o 52.851  2.1463  383.719   30.255    386.365   42.783    381.073   42.791    53.038  3.0241  52.663  3.0466  0.3751945      4.292624 
1 1 1 3   25  11 o 26.559  2.4277  98.967    16.865    98.622    23.958    99.306    23.744    26.504  3.4570  26.614  3.4093  -0.1092091     4.855371 
1 1 1 3   25  12 o 46.106  2.1706  294.219   26.627    279.281   37.551    309.326   37.763    44.888  3.1431  47.323  2.9946  -2.435364      4.341274 
1 1 1 3   25  13 o 18.695  2.7953  52.211    14.006    25.796    19.654    79.470    19.965    13.642  4.5689  23.748  3.2218  -10.10629      5.590581 
1 1 1 3   25  14 o 19.895  2.8100  58.740    14.477    81.713    20.729    36.868    20.227    24.018  3.3102  15.771  4.5417  8.246712       5.620028 
1 1 1 3   25  15 o 37.110  2.2848  193.440   22.418    210.664   31.943    176.723   31.470    38.817  3.0981  35.403  3.3590  3.414753       4.569585 
1 1 1 3   25  16 o 54.728  2.2741  419.636   33.186    426.060   47.156    413.333   46.711    55.151  3.2060  54.304  3.2259  0.8471985      4.548109 
1 1 1 3   25  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   25  18 o 13.172  3.2007  24.139    13.795    29.515    19.560    18.818    19.460    14.153  4.5480  12.192  4.5048  1.961036       6.401395 
1 1 1 3   25  19 f 19.125  3.0867  56.455    15.691    40.855    22.270    71.833    22.112    16.236  4.7918  22.015  3.8922  -5.779043      6.173366 
1 1 1 3   25  20 o 26.394  2.8723  104.780   19.579    114.806   27.762    94.860    27.616    27.827  3.8259  24.960  4.2851  2.867018       5.744509 
1 1 1 3   26  0  o 64.281  2.0502  559.706   35.294    563.264   49.545    556.039   50.289    64.496  2.8680  64.066  2.9306  0.4304962      4.100449 
1 1 1 3   26  1  o 18.798  2.5562  50.166    12.356    39.424    17.454    60.956    17.493    16.647  3.9701  20.948  3.2208  -4.301149      5.112314 
1 1 1 3   26  2  f 14.473  2.7744  29.824    11.234    36.693    15.494    22.212    16.311    16.078  3.6777  12.867  4.1550  3.211490       5.548830 
1 1 1 3   26  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   26  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   26  5  o 19.880  2.5434  55.798    13.022    49.670    18.198    62.228    18.641    18.692  3.7651  21.069  3.4205  -2.376839      5.086814 
1 1 1 3   26  6  o 82.146  2.3380  924.537   51.441    929.459   72.601    919.575   72.896    82.374  3.2905  81.917  3.3223  0.4569016      4.676053 
1 1 1 3   26  7  o 55.664  2.1128  424.911   31.357    444.662   44.331    405.135   44.359    56.994  2.9137  54.334  3.0605  2.659851       4.225690 
1 1 1 3   26  8  o 10.824  2.8193  12.129    11.176    20.223    15.878    4.1815    15.733    12.298  4.1068  9.3504  3.8638  2.947926       5.638629 
1 1 1 3   26  9  o 42.965  2.1042  254.512   24.064    251.405   33.818    257.699   34.250    42.698  2.9756  43.232  2.9759  -0.5333328     4.208356 
1 1 1 3   26  10 o 31.969  2.2502  143.247   18.698    115.699   26.184    171.915   26.710    28.665  3.4818  35.273  2.8515  -6.608385      4.500390 
1 1 1 3   26  11 o 24.566  2.6905  88.462    16.439    119.345   23.428    58.511    23.072    29.247  3.0348  19.886  4.4435  9.361294       5.380985 
1 1 1 3   26  12 o 32.012  2.3268  144.089   19.664    146.916   27.950    141.319   27.672    32.334  3.2722  31.690  3.3088  0.6438122      4.653598 
1 1 1 3   26  13 o 14.662  2.8360  28.876    13.376    54.656    19.227    4.6965    18.620    19.348  3.8455  9.9765  4.1695  9.371841       5.672034 
1 1 1 3   26  14 o 16.703  3.0582  41.569    13.857    35.611    19.258    47.966    19.954    15.460  4.4257  17.946  4.2217  -2.486284      6.116330 
1 1 1 3   26  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   26  16 o 20.996  3.0099  66.480    16.329    55.695    23.409    76.700    22.789    19.103  4.6246  22.890  3.8539  -3.786787      6.019899 
1 1 1 3   26  17 o 9.4360  2.7466  0.6421    12.145    -13.5744  16.755    16.384    17.631    7.3795  3.4438  11.492  4.2797  -4.112950      5.493179 
1 1 1 3   26  18 o 13.167  3.2395  25.017    13.990    26.802    20.285    23.399    19.320    13.504  4.6406  12.829  4.5214  0.6757097      6.479051 
1 1 1 3   27  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   27  1  o 43.351  2.0362  256.572   23.503    259.675   33.035    253.392   33.446    43.628  2.8425  43.074  2.9161  0.5540352      4.072302 
1 1 1 3   27  2  o 25.747  2.3661  93.726    15.472    115.120   21.708    71.636    22.059    28.961  2.8348  22.533  3.7893  6.427898       4.732285 
1 1 1 3   27  3  o 26.246  2.2309  95.459    15.351    100.621   21.816    90.397    21.604    26.980  3.0738  25.512  3.2341  1.467829       4.461807 
1 1 1 3   27  4  o 17.852  2.6783  45.406    12.448    35.201    17.087    56.943    18.170    15.633  4.0486  20.072  3.5074  -4.438378      5.356544 
1 1 1 3   27  5  f 29.847  2.2124  124.250   17.152    101.573   24.142    147.360   24.372    26.954  3.4210  32.739  2.8064  -5.784378      4.424859 
1 1 1 3   27  6  o 47.042  2.0800  304.494   26.071    308.983   36.687    299.915   37.055    47.409  2.9030  46.674  2.9796  0.7351227      4.159994 
1 1 1 3   27  7  f 21.255  2.5725  64.506    14.099    59.867    19.926    69.156    19.951    20.423  3.7819  22.087  3.4882  -1.664114      5.144965 
1 1 1 3   27  8  o 19.313  2.8151  55.224    14.193    76.613    20.199    34.365    19.948    23.288  3.3334  15.338  4.5373  7.949524       5.630173 
1 1 1 3   27  9  o 35.443  2.2632  175.981   21.103    153.112   29.612    199.583   30.083    32.987  3.4002  37.899  2.9877  -4.912609      4.526338 
1 1 1 3   27  10 o 33.388  2.2565  156.215   19.928    152.822   27.767    159.820   28.616    33.017  3.1791  33.759  3.2031  -0.7420349     4.512939 
1 1 1 3   27  11 o 28.313  2.5137  114.928   18.311    137.329   26.065    93.101    25.729    31.265  3.1557  25.360  3.9137  5.905956       5.027485 
1 1 1 3   27  12 o 13.544  3.0519  26.465    12.484    27.971    17.028    24.715    18.356    13.843  4.2144  13.244  4.4153  0.5984526      6.103786 
1 1 1 3   27  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   27  14 o 16.868  3.2404  43.159    15.210    52.278    21.754    34.440    21.273    18.581  4.4331  15.155  4.7275  3.426030       6.480840 
1 1 1 3   27  15 o 9.5397  2.8175  4.2685    12.163    9.1707    17.018    -0.8505   17.390    10.195  4.0899  8.8841  3.8763  1.311175       5.634933 
1 1 1 3   27  16 o 6.5767  2.2194  -18.2859  10.905    -18.1991  15.224    -18.3773  15.628    6.5244  3.1149  6.6289  3.1623  -0.1044688     4.438770 
1 1 1 3   28  0  o 19.099  2.7182  52.013    13.420    47.301    18.650    57.073    19.326    18.156  3.9475  20.041  3.7378  -1.884947      5.436324 
1 1 1 3   28  1  o 31.650  2.1793  139.195   18.034    160.441   25.477    117.858   25.532    34.188  2.8069  29.113  3.3344  5.075577       4.358565 
1 1 1 3   28  2  o 44.148  2.0384  267.246   23.906    242.096   33.217    294.272   34.433    41.952  2.9754  46.344  2.7869  -4.391819      4.076733 
1 1 1 3   28  3  o 18.753  2.7325  51.016    13.263    58.378    18.498    43.228    19.026    20.270  3.5356  17.235  4.1673  3.035223       5.465062 
1 1 1 3   28  4  o 29.485  2.2688  121.190   17.623    117.572   24.683    124.953   25.170    29.023  3.2299  29.946  3.1870  -0.9223652     4.537592 
1 1 1 3   28  5  o 29.909  2.2591  125.112   17.793    129.097   24.855    120.924   25.483    30.442  3.0912  29.377  3.2954  1.065216       4.518273 
1 1 1 3   28  6  o 13.843  2.8236  27.658    11.561    16.763    16.735    37.604    15.990    11.624  4.1956  16.062  3.7798  -4.437959      5.647110 
1 1 1 3   28  7  o 7.4443  2.3439  -4.8627   9.4142    -8.2078   12.600    -0.6354   14.164    6.7232  3.0836  8.1654  3.5307  -1.442194      4.687716 
1 1 1 3   28  8  o 16.069  3.0204  38.524    13.527    48.362    18.876    28.139    19.393    18.132  3.9946  14.007  4.5315  4.124483       6.040776 
1 1 1 3   28  9  o 25.489  2.6323  94.799    17.030    73.975    24.278    114.970   23.894    22.415  4.1981  28.564  3.1769  -6.149498      5.264672 
1 1 1 3   28  10 o 42.261  2.2908  251.247   25.670    270.644   36.397    232.050   36.209    43.971  3.1104  40.551  3.3640  3.419537       4.581635 
1 1 1 3   28  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   28  12 o 19.585  3.0603  58.262    15.849    40.342    22.246    76.731    22.584    16.260  4.7865  22.910  3.8146  -6.649912      6.120562 
1 1 1 3   28  13 o 17.402  3.0736  46.244    15.067    26.288    21.162    66.760    21.456    13.583  4.7356  21.221  3.9193  -7.637606      6.147114 
1 1 1 3   28  14 o 37.255  2.4189  200.168   23.852    205.989   33.583    194.242   33.883    37.862  3.3460  36.648  3.4941  1.213425       4.837767 
1 1 1 3   29  0  o 17.104  2.8260  43.454    12.946    55.388    17.753    29.901    18.918    19.734  3.4863  14.475  4.4488  5.259124       5.652076 
1 1 1 3   29  1  o 19.430  2.6846  54.440    13.438    40.380    18.555    69.948    19.488    16.615  4.1745  22.246  3.3767  -5.630873      5.369230 
1 1 1 3   29  2  o 14.475  2.7405  30.633    11.663    44.704    16.016    14.744    17.019    17.636  3.5139  11.314  4.2064  6.322183       5.480982 
1 1 1 3   29  3  o 62.037  2.1596  532.233   35.880    533.011   50.347    531.430   51.146    62.100  3.0269  61.973  3.0812  0.1269913      4.319204 
1 1 1 3   29  4  f 39.538  2.1772  217.993   22.756    192.016   31.795    245.273   32.583    37.027  3.2385  42.049  2.9110  -5.021400      4.354486 
1 1 1 3   29  5  o 11.984  2.9571  18.511    12.107    25.748    16.386    9.8116    17.966    13.374  4.1453  10.594  4.2182  2.780674       5.914104 
1 1 1 3   29  6  o 34.094  2.2176  163.033   20.018    157.801   28.138    168.395   28.485    33.519  3.1718  34.670  3.1002  -1.150436      4.435255 
1 1 1 3   29  7  o 39.808  2.2192  222.135   23.458    213.179   33.007    231.275   33.345    38.964  3.1907  40.652  3.0853  -1.688873      4.438455 
1 1 1 3   29  8  o 12.393  2.9230  19.814    12.346    32.569    17.159    6.1227    17.778    14.818  4.1553  9.9673  4.1119  4.850821       5.845902 
1 1 1 3   29  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   29  10 o 39.085  2.3632  217.989   24.328    242.452   34.206    192.945   34.608    41.482  3.1010  36.689  3.5669  4.793056       4.726392 
1 1 1 3   29  11 o 11.542  3.0559  15.839    12.802    11.224    17.345    21.363    18.974    10.567  4.1645  12.518  4.4734  -1.951758      6.111801 
1 1 1 3   29  12 o 20.596  3.1135  65.773    16.724    51.743    23.655    79.795    23.648    18.097  4.8011  23.095  3.9656  -4.998562      6.227081 
1 1 1 3   30  0  o 65.453  2.1958  593.812   38.460    560.073   53.930    628.729   54.863    63.515  3.1700  67.392  3.0394  -3.876675      4.391698 
1 1 1 3   30  1  o 48.971  2.1538  333.673   28.110    330.188   39.616    337.208   39.894    48.709  3.0518  49.233  3.0401  -0.5238304     4.307670 
1 1 1 3   30  2  o 35.491  2.2099  176.399   20.764    165.400   29.138    187.748   29.598    34.319  3.2070  36.663  3.0415  -2.344448      4.419881 
1 1 1 3   30  3  o 16.526  2.9603  40.988    13.178    45.789    17.922    35.336    19.444    17.642  3.8968  15.410  4.4574  2.231261       5.920576 
1 1 1 3   30  4  o 43.258  2.2105  262.090   25.351    236.081   35.414    289.429   36.307    40.969  3.2540  45.548  2.9927  -4.579628      4.420958 
1 1 1 3   30  5  o 52.505  2.1918  385.635   30.686    382.434   43.278    388.872   43.516    52.281  3.1045  52.728  3.0948  -0.4465027     4.383533 
1 1 1 3   30  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   30  7  o 11.755  2.9711  17.494    11.953    12.306    16.306    23.520    17.573    10.627  4.0799  12.884  4.3203  -2.257048      5.942219 
1 1 1 3   30  8  o 15.430  3.1985  36.144    14.216    42.222    20.041    29.988    20.169    16.637  4.4217  14.223  4.6229  2.414088       6.397064 
1 1 1 3   30  9  o 40.690  2.3305  236.323   25.155    222.436   35.039    251.092   36.135    39.409  3.3513  41.972  3.2393  -2.562950      4.660905 
1 1 1 3   30  10 o 12.612  3.1280  22.185    13.742    31.285    18.327    10.499    20.768    14.287  4.3767  10.937  4.4702  3.349139       6.256070 
1 1 1 3   31  0  o 22.403  2.7091  73.220    15.613    76.042    21.398    70.008    22.831    22.977  3.5947  21.829  4.0541  1.148785       5.418265 
1 1 1 3   31  1  f 7.9628  2.5034  -4.5391   10.854    1.3313    13.821    -13.9851  17.531    8.3209  3.5405  7.6046  3.5400  0.7163253      5.006720 
1 1 1 3   31  2  o 9.4470  2.7137  4.7744    11.368    13.388    14.919    -7.1490   17.554    10.628  3.9410  8.2662  3.7316  2.361689       5.427336 
1 1 1 3   31  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   31  4  o 24.743  2.7147  89.267    17.397    87.296    24.080    91.419    25.160    24.474  3.7964  25.012  3.8814  -0.5375576     5.429366 
1 1 1 3   31  5  o 27.906  2.6277  114.482   18.742    134.549   26.123    93.199    26.904    30.756  3.2188  25.056  4.1544  5.700125       5.255424 
1 1 1 3   31  6  o 23.368  2.8045  81.143    16.908    84.040    23.633    78.105    24.199    23.882  3.8235  22.854  4.1040  1.028234       5.609084 
1 1 1 3   31  7  o 26.576  2.7328  104.882   18.805    109.128   25.917    100.162   27.328    27.295  3.6354  25.856  4.0814  1.438824       5.465649 
1 1 1 3   32  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 3   32  1  o 12.595  2.7614  19.752    12.686    40.662    17.001    -6.5203   19.056    16.512  3.9052  8.6771  3.9052  7.835361       5.522775 
1 1 1 3   32  2  o 12.899  3.2120  23.086    13.902    26.827    18.802    18.574    20.649    13.551  4.4663  12.248  4.6175  1.303382       6.424098 
1 1 1 3   32  3  o 14.550  3.0567  32.140    13.614    44.409    18.462    17.518    20.155    17.125  4.0826  11.974  4.5504  5.150187       6.113467 
1 1 1 3   32  4  o 17.830  3.1622  49.525    15.067    51.649    20.507    47.033    22.211    18.348  4.2554  17.312  4.6787  1.036131       6.324443 
1 1 1 3   32  5  o 34.081  2.4103  168.942   21.675    171.890   30.088    165.762   31.250    34.476  3.2986  33.686  3.5152  0.7898064      4.820505 
1 1 1 3   33  0  o 28.133  2.5597  115.478   18.834    113.529   26.213    117.558   27.079    27.903  3.5906  28.363  3.6491  -0.4599667     5.119382 
1 1 1 3   33  1  o 11.207  3.1134  13.647    13.848    18.424    18.411    7.4236    21.015    11.836  4.3801  10.577  4.4257  1.259634       6.226702 
1 1 1 4   -37 11 o 11.680  3.1593  18.485    14.717    3.3978    23.297    28.503    18.985    10.105  4.4456  13.256  4.4902  -3.150801      6.318643 
1 1 1 4   -37 12 o 6.6205  2.2326  -12.3172  9.8809    -26.2770  20.032    -7.8290   11.359    7.0706  3.4251  6.1704  2.8648  0.9001899      4.465245 
1 1 1 4   -37 13 o 11.447  3.1030  13.330    13.613    32.883    22.302    1.7199    17.186    14.057  4.8638  8.8367  3.8545  5.220142       6.205943 
1 1 1 4   -37 14 f 19.543  3.3316  65.305    17.268    56.261    26.413    72.056    22.820    17.853  5.2041  21.233  4.1613  -3.380424      6.663216 
1 1 1 4   -37 15 o 18.664  3.3796  59.700    16.995    53.888    25.821    64.142    22.574    17.498  5.1583  19.831  4.3679  -2.333000      6.759203 
1 1 1 4   -37 16 o 14.335  3.5529  34.281    16.671    38.400    25.871    31.356    21.801    14.889  5.2335  13.780  4.8065  1.109457       7.105762 
1 1 1 4   -37 17 o 17.229  3.5291  52.963    18.044    36.596    26.989    66.192    24.264    14.576  5.3180  19.882  4.6409  -5.305566      7.058236 
1 1 1 4   -37 18 o 12.573  3.2703  17.010    15.788    46.216    25.042    -2.2555   20.339    16.150  5.1415  8.9960  4.0430  7.153720       6.540677 
1 1 1 4   -37 19 o 24.124  3.3229  96.724    20.645    118.217   30.535    78.627    28.020    26.959  4.3790  21.290  4.9990  5.668978       6.645712 
1 1 1 4   -37 20 o 22.218  3.5045  84.298    20.303    101.782   30.635    70.605    27.112    24.428  4.8533  20.007  5.0567  4.420042       7.008927 
1 1 1 4   -37 21 o 8.2291  2.7363  -12.9527  15.107    -18.2201  24.697    -9.8035   19.096    8.4805  4.0255  7.9776  3.7073  0.5028787      5.472575 
1 1 1 4   -37 22 o 20.953  3.6935  79.122    20.652    90.389    30.667    69.772    27.936    22.392  5.2110  19.515  5.2358  2.877245       7.387061 
1 1 1 4   -37 23 o 9.4950  3.0036  0.4797    15.934    -10.1136  24.902    7.8248    20.735    8.9984  4.1989  9.9916  4.2961  -0.9932671     6.007271 
1 1 1 4   -37 24 o 12.997  3.5033  28.160    18.472    7.2392    28.862    42.674    24.040    10.863  4.8537  15.131  5.0531  -4.268318      7.006584 
1 1 1 4   -37 25 o 15.201  3.9098  46.510    20.657    51.857    29.678    41.485    28.769    15.901  5.6039  14.502  5.4537  1.399874       7.819592 
1 1 1 4   -36 5  o 12.633  2.9209  23.823    13.101    2.8114    20.339    38.724    17.127    9.6522  4.2022  15.613  4.0582  -5.960686      5.841829 
1 1 1 4   -36 6  o 17.521  3.2675  50.684    15.514    46.934    23.963    53.390    20.355    16.713  4.9797  18.329  4.2318  -1.615692      6.534962 
1 1 1 4   -36 7  o 9.2927  2.8436  1.8089    12.483    7.6653    20.997    -1.3921   15.524    10.406  4.3927  8.1798  3.6124  2.225771       5.687251 
1 1 1 4   -36 8  o 13.009  3.2704  23.110    14.369    37.024    22.910    14.088    18.449    15.076  4.9283  10.941  4.3004  4.135527       6.540787 
1 1 1 4   -36 9  o 21.399  3.0521  72.152    16.784    69.683    25.209    74.118    22.495    20.820  4.6392  21.978  3.9672  -1.158575      6.104163 
1 1 1 4   -36 10 o 11.564  3.1874  13.397    14.032    28.080    23.380    5.1297    17.544    13.626  4.9529  9.5019  4.0134  4.124086       6.374857 
1 1 1 4   -36 11 o 24.882  3.1076  98.139    19.585    87.702    29.863    106.017   25.944    23.205  4.9553  26.559  3.7514  -3.353977      6.215132 
1 1 1 4   -36 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -36 24 o 24.415  5.4046  105.275   34.409    0.0000    0.0000    105.275   34.409    ?       ?       24.415  5.4046  ?              ?        
1 1 1 4   -36 25 o 16.573  3.8037  48.576    19.413    64.310    29.810    36.989    25.581    18.592  5.5575  14.555  5.1949  4.036316       7.607383 
1 1 1 4   -36 26 o 15.804  4.4315  -11.6943  15.153    -93.6851  24.044    42.326    19.517    ?       ?       15.804  4.4315  ?              ?        
1 1 1 4   -36 27 o 9.9744  3.0265  -13.1806  17.259    -51.8980  23.673    30.748    25.216    6.5605  3.2768  13.388  5.0893  -6.827681      6.052985 
1 1 1 4   -36 28 o 19.749  5.7016  77.489    31.841    77.489    31.841    0.0000    0.0000    19.749  5.7016  ?       ?       ?              ?        
1 1 1 4   -36 29 o 35.815  4.2807  216.002   40.252    216.002   40.252    0.0000    0.0000    35.815  4.2807  ?       ?       ?              ?        
1 1 1 4   -36 30 o 11.062  5.1008  6.2905    35.120    6.2905    35.120    0.0000    0.0000    11.062  5.1008  ?       ?       ?              ?        
1 1 1 4   -35 1  o 11.356  2.8821  8.8855    12.782    37.323    20.324    -9.7235   16.441    15.196  4.5994  7.5165  3.4744  7.679509       5.764161 
1 1 1 4   -35 2  o 14.253  3.3148  31.786    14.565    34.874    22.012    29.381    19.425    14.765  4.8309  13.741  4.5403  1.024149       6.629585 
1 1 1 4   -35 3  o 17.566  3.1535  48.742    14.768    50.528    22.458    47.381    19.602    17.737  4.6648  17.394  4.2447  0.3429852      6.306987 
1 1 1 4   -35 4  o 7.0015  2.3387  -16.3955  11.681    -30.4119  19.074    -7.9845   14.776    6.7149  3.2732  7.2880  3.3414  -0.5730109     4.677431 
1 1 1 4   -35 5  o 30.622  3.4418  136.957   27.740    0.0000    0.0000    136.957   27.740    ?       ?       30.622  3.4418  ?              ?        
1 1 1 4   -35 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -35 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -35 8  o 6.6851  2.2025  -14.3800  10.322    -39.1243  17.867    -1.9841   12.646    5.9562  2.9537  7.4140  3.2680  -1.457810      4.404992 
1 1 1 4   -35 9  o 31.821  2.4658  147.325   20.615    150.190   30.388    144.882   28.058    32.023  3.6056  31.619  3.3646  0.4041157      4.931613 
1 1 1 4   -35 10 o 13.670  3.2640  28.269    14.357    21.663    22.533    32.785    18.629    12.765  4.8209  14.575  4.4016  -1.809977      6.527986 
1 1 1 4   -35 11 o 35.455  2.4336  182.731   22.777    179.261   32.963    185.902   31.509    35.034  3.5624  35.877  3.3165  -0.8432312     4.867206 
1 1 1 4   -35 12 o 13.897  3.2825  29.015    14.177    31.296    22.171    27.437    18.440    14.308  4.8524  13.486  4.4221  0.8220663      6.565080 
1 1 1 4   -35 13 o 11.703  3.0796  13.256    13.445    32.015    21.455    1.1278    17.252    14.406  4.7722  8.9992  3.8939  5.406782       6.159260 
1 1 1 4   -35 14 o 36.640  2.4152  195.438   23.378    187.880   33.629    202.505   32.521    35.835  3.5503  37.445  3.2754  -1.609818      4.830428 
1 1 1 4   -35 15 o 30.822  2.6570  140.912   21.466    140.160   30.845    141.618   29.893    30.679  3.8375  30.965  3.6760  -0.2854385     5.314096 
1 1 1 4   -35 16 o 29.283  2.7045  127.322   20.319    157.429   29.755    101.013   27.814    32.832  3.4344  25.733  4.1787  7.098667       5.408942 
1 1 1 4   -35 17 o 12.335  2.8512  18.230    13.801    -13.6181  21.375    41.000    18.074    8.4305  3.9193  16.240  4.1419  -7.809581      5.702311 
1 1 1 4   -35 18 o 13.051  3.3751  23.810    16.064    11.676    23.835    33.909    21.744    11.444  4.7443  14.659  4.8016  -3.215728      6.750146 
1 1 1 4   -35 19 o 7.9647  2.6192  -12.7475  13.546    -22.2509  21.530    -6.5205   17.428    7.8075  3.7210  8.1219  3.6872  -0.3143601     5.238471 
1 1 1 4   -35 20 o 8.4130  2.7472  -11.6036  13.987    -3.9861   22.670    -16.2860  17.774    9.5092  4.2714  7.3169  3.4558  2.192302       5.494305 
1 1 1 4   -35 21 o 26.687  3.0002  110.651   20.572    105.028   30.392    115.407   27.949    25.770  4.5705  27.603  3.8879  -1.833225      6.000402 
1 1 1 4   -35 22 o 15.428  3.5755  39.400    17.454    29.837    26.167    47.066    23.427    13.980  5.2123  16.876  4.8959  -2.896144      7.151067 
1 1 1 4   -35 23 o 26.878  3.0555  112.965   21.239    117.905   30.667    108.413   29.442    27.459  4.3118  26.298  4.3306  1.160881       6.111082 
1 1 1 4   -35 24 o 8.3644  2.7445  -11.2243  14.233    -8.4347   23.040    -12.9456  18.099    9.1024  4.1730  7.6264  3.5657  1.476040       5.488906 
1 1 1 4   -35 25 o 14.589  3.6734  34.727    18.068    40.307    26.710    30.021    24.532    15.393  5.3229  13.785  5.0639  1.607622       7.346864 
1 1 1 4   -35 26 o 24.020  3.4530  96.902    21.446    80.065    30.585    113.187   30.079    21.411  5.3487  26.630  4.3686  -5.219126      6.906034 
1 1 1 4   -35 27 o 24.698  3.4513  102.225   21.995    82.873    30.401    123.484   31.863    21.759  5.2718  27.638  4.4557  -5.879509      6.902507 
1 1 1 4   -35 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -35 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -35 30 o 14.394  5.6120  38.187    31.212    38.187    31.212    0.0000    0.0000    14.394  5.6120  ?       ?       ?              ?        
1 1 1 4   -35 31 o 6.9087  3.4340  -47.0942  24.709    -47.0942  24.709    0.0000    0.0000    6.9087  3.4340  ?       ?       ?              ?        
1 1 1 4   -35 32 o 17.659  7.6835  108.550   67.916    0.0000    0.0000    108.550   67.916    ?       ?       17.659  7.6835  ?              ?        
1 1 1 4   -35 33 o 14.069  5.2404  40.360    26.438    0.0000    0.0000    40.360    26.438    ?       ?       14.069  5.2404  ?              ?        
1 1 1 4   -34 0  o 11.975  2.9767  15.906    12.865    34.697    19.538    1.5241    17.093    14.931  4.5074  9.0195  3.8893  5.911930       5.953427 
1 1 1 4   -34 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -34 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -34 3  o 34.144  2.3262  166.879   20.932    186.117   30.377    149.488   28.883    36.104  3.1735  32.184  3.4021  3.920601       4.652478 
1 1 1 4   -34 4  o 16.758  3.1797  44.087    14.658    37.443    22.283    49.156    19.462    15.537  4.8370  17.979  4.1285  -2.442400      6.359316 
1 1 1 4   -34 5  o 19.225  2.9678  57.109    14.808    48.852    22.235    63.691    19.851    17.700  4.6351  20.751  3.7076  -3.050850      5.935553 
1 1 1 4   -34 6  o 14.597  3.2081  32.658    13.858    29.413    21.520    34.958    18.115    14.071  4.7806  15.123  4.2796  -1.051259      6.416277 
1 1 1 4   -34 7  o 26.482  2.7051  102.584   18.558    113.609   27.742    93.655    24.966    27.775  3.8309  25.189  3.8204  2.586306       5.410283 
1 1 1 4   -34 8  o 9.9217  2.8776  7.5632    12.071    1.6435    20.372    10.766    14.984    9.8002  4.2360  10.043  3.8959  -0.2430992     5.755133 
1 1 1 4   -34 9  o 10.649  3.0070  10.500    12.625    14.198    20.534    8.2526    16.008    11.488  4.5300  9.8102  3.9556  1.677754       6.014003 
1 1 1 4   -34 10 o 32.505  2.3751  151.792   20.366    157.730   29.490    146.378   28.159    33.107  3.3727  31.902  3.3452  1.205347       4.750299 
1 1 1 4   -34 11 o 50.125  2.2687  358.654   29.836    434.436   42.931    287.863   41.493    55.553  2.8952  44.696  3.4937  10.85723       4.537442 
1 1 1 4   -34 12 o 33.759  2.3998  163.947   21.352    178.692   30.752    150.223   29.669    35.304  3.2900  32.214  3.4946  3.090168       4.799618 
1 1 1 4   -34 13 o 18.157  3.0035  51.405    14.360    42.974    21.769    57.900    19.106    16.583  4.6909  19.731  3.7523  -3.148363      6.007029 
1 1 1 4   -34 14 o 11.289  3.1245  14.025    13.578    14.664    21.084    13.573    17.749    11.616  4.5871  10.963  4.2437  0.6526060      6.249065 
1 1 1 4   -34 15 o 8.6223  2.6947  -4.6632   12.150    5.2575    19.184    -11.3090  15.701    9.9853  4.2061  7.2592  3.3695  2.726132       5.389307 
1 1 1 4   -34 16 o 20.945  3.0517  66.994    16.639    91.308    24.424    45.936    22.729    24.832  3.7924  17.058  4.7821  7.774302       6.103327 
1 1 1 4   -34 17 o 36.650  2.3838  193.923   23.113    204.359   32.851    183.694   32.524    37.698  3.2863  35.603  3.4541  2.095173       4.767690 
1 1 1 4   -34 18 o 11.494  3.1102  15.579    13.819    5.6214    21.397    22.705    18.100    10.412  4.4169  12.576  4.3799  -2.164280      6.220309 
1 1 1 4   -34 19 o 14.313  3.2413  28.998    14.871    47.481    22.348    14.308    19.923    17.296  4.7009  11.329  4.4639  5.966360       6.482664 
1 1 1 4   -34 20 o 10.087  3.0314  5.1456    14.211    2.2384    22.095    7.1964    18.558    10.114  4.3915  10.061  4.1800  0.5285835E-01  6.062789 
1 1 1 4   -34 21 o 30.117  2.7577  135.802   21.706    135.157   31.215    136.405   30.203    29.978  3.9864  30.255  3.8116  -0.2773399     5.515419 
1 1 1 4   -34 22 o 30.194  2.7193  136.139   21.460    145.402   31.253    127.875   29.520    31.193  3.8206  29.195  3.8705  1.998035       5.438539 
1 1 1 4   -34 23 f 16.834  3.4932  46.789    16.922    40.492    25.335    51.861    22.738    15.736  5.1845  17.933  4.6829  -2.197824      6.986320 
1 1 1 4   -34 24 o 17.310  2.7572  36.956    17.180    102.388   25.641    -16.3500  23.144    26.062  3.7838  8.5593  4.0115  17.50238       5.514440 
1 1 1 4   -34 25 o 18.194  3.6358  55.940    18.687    47.703    26.700    63.849    26.163    16.769  5.3057  19.619  4.9723  -2.849895      7.271499 
1 1 1 4   -34 26 o 7.2217  2.4633  -31.8891  14.092    -8.4068   21.440    -49.7475  18.698    8.7909  4.0284  5.6525  2.8361  3.138355       4.926620 
1 1 1 4   -34 27 o 38.962  2.5206  227.024   26.010    230.427   36.739    223.604   36.829    39.298  3.5279  38.627  3.6012  0.6707420      5.041296 
1 1 1 4   -34 28 o 39.725  2.6551  239.048   27.328    295.783   39.705    187.981   37.669    44.703  3.3402  34.748  4.1282  9.955399       5.310236 
1 1 1 4   -34 29 o 15.403  3.7812  40.467    19.052    48.952    28.604    33.701    25.543    16.542  5.5116  14.263  5.1781  2.279654       7.562451 
1 1 1 4   -34 30 o 20.790  3.7786  76.462    21.533    58.620    29.473    96.890    31.536    17.862  5.5632  23.717  5.1148  -5.854460      7.557143 
1 1 1 4   -34 31 o 9.7172  4.4291  -3.8684   25.466    -3.8684   25.466    0.0000    0.0000    9.7172  4.4291  ?       ?       ?              ?        
1 1 1 4   -34 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -34 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -34 34 o 9.6985  4.4344  -0.7999   25.779    0.0000    0.0000    -0.7999   25.779    ?       ?       9.6985  4.4344  ?              ?        
1 1 1 4   -34 35 o 13.100  5.1808  33.168    26.930    0.0000    0.0000    33.168    26.930    ?       ?       13.100  5.1808  ?              ?        
1 1 1 4   -33 0  o 9.1979  2.6350  -3.4122   11.092    20.082    17.923    -17.9951  14.120    12.175  4.3480  6.2208  2.9781  5.954155       5.270071 
1 1 1 4   -33 1  o 26.616  2.6392  105.856   17.616    78.561    25.391    131.187   24.460    22.817  4.3127  30.415  3.0434  -7.598349      5.278402 
1 1 1 4   -33 2  o 23.076  2.7852  79.959    16.374    66.093    23.793    92.432    22.567    20.847  4.3994  25.306  3.4167  -4.459284      5.570352 
1 1 1 4   -33 3  o 42.343  2.1832  253.183   24.580    260.013   35.394    246.821   34.161    42.886  3.1022  41.800  3.0728  1.086311       4.366399 
1 1 1 4   -33 4  o 31.091  2.4189  140.199   19.471    118.312   28.105    160.400   27.000    28.488  3.7764  33.695  3.0238  -5.207291      4.837812 
1 1 1 4   -33 5  o 38.134  2.2080  205.562   22.342    209.285   32.236    202.121   30.993    38.444  3.1584  37.823  3.0862  0.6213951      4.415921 
1 1 1 4   -33 6  o 40.847  2.1640  234.714   23.402    264.214   33.870    207.769   32.370    43.393  2.9313  38.301  3.1842  5.091816       4.328015 
1 1 1 4   -33 7  o 23.621  2.6310  81.851    15.885    77.825    24.084    84.951    21.134    22.909  4.0743  24.333  3.3300  -1.424192      5.262057 
1 1 1 4   -33 8  o 18.989  3.0015  52.805    15.099    76.297    22.959    34.899    20.044    22.776  3.9039  15.202  4.5601  7.574334       6.002909 
1 1 1 4   -33 9  o 10.137  2.8674  8.4499    12.129    -0.8782   19.129    14.721    15.685    9.3150  4.0648  10.959  4.0454  -1.644422      5.734823 
1 1 1 4   -33 10 o 68.291  2.2155  654.236   40.511    650.234   57.918    658.068   56.684    68.042  3.1780  68.540  3.0877  -0.4979477     4.430944 
1 1 1 4   -33 11 o 13.702  3.0755  27.780    13.050    18.619    20.179    34.365    17.109    12.252  4.5754  15.151  4.1112  -2.899024      6.151092 
1 1 1 4   -33 12 o 14.675  3.0246  29.494    13.320    49.104    20.473    15.099    17.541    18.044  4.2977  11.306  4.2572  6.737703       6.049260 
1 1 1 4   -33 13 o 10.270  2.8280  3.8819    12.238    23.892    18.908    -10.5411  16.053    13.051  4.4805  7.4898  3.4519  5.560923       5.656058 
1 1 1 4   -33 14 o 14.761  3.2638  32.548    14.275    31.841    21.638    33.092    18.996    14.667  4.7892  14.855  4.4355  -0.1887732     6.527648 
1 1 1 4   -33 15 o 22.422  2.7205  73.321    15.611    90.765    22.971    58.352    21.279    25.091  3.5145  19.752  4.1538  5.338934       5.441095 
1 1 1 4   -33 16 o 24.943  2.8019  91.811    17.726    116.768   25.611    68.863    24.559    28.546  3.4176  21.341  4.4410  7.205069       5.603803 
1 1 1 4   -33 17 o 16.329  3.2174  41.039    14.633    36.761    22.026    44.420    19.577    15.540  4.8043  17.119  4.2809  -1.578975      6.434798 
1 1 1 4   -33 18 o 27.445  2.6123  109.297   18.688    117.148   27.035    102.113   25.862    28.434  3.6328  26.456  3.7550  1.978138       5.224668 
1 1 1 4   -33 19 o 46.050  2.2351  300.519   27.388    306.655   38.475    294.216   38.995    46.574  3.1020  45.525  3.2187  1.049324       4.470162 
1 1 1 4   -33 20 o 36.545  2.4477  193.505   23.189    234.112   32.980    153.801   32.611    40.671  3.0496  32.419  3.8295  8.252201       4.895422 
1 1 1 4   -33 21 o 19.440  3.1954  58.527    16.528    73.705    23.720    44.203    23.043    22.105  4.1588  16.775  4.8524  5.329945       6.390766 
1 1 1 4   -33 22 o 22.168  3.0272  75.333    17.274    66.794    24.895    83.260    23.988    20.716  4.6059  23.620  3.9297  -2.903332      6.054452 
1 1 1 4   -33 23 o 17.784  3.3377  50.846    16.495    38.899    24.329    61.010    22.440    15.686  5.0755  19.882  4.3360  -4.195514      6.675484 
1 1 1 4   -33 24 o 21.406  3.2578  72.807    18.221    56.346    25.963    88.784    25.578    18.615  5.0700  24.197  4.0925  -5.581388      6.515585 
1 1 1 4   -33 25 o 27.294  2.8341  112.669   20.063    106.252   28.455    119.013   28.294    26.392  4.1632  28.196  3.8467  -1.804064      5.668261 
1 1 1 4   -33 26 o 29.062  2.8063  127.751   21.268    131.742   30.385    123.918   29.778    29.536  3.9389  28.588  3.9982  0.9477310      5.612569 
1 1 1 4   -33 27 o 36.385  2.5425  196.646   24.433    191.811   34.893    201.298   34.224    35.855  3.6857  36.916  3.5032  -1.060848      5.084991 
1 1 1 4   -33 28 o 29.646  2.7893  134.138   21.484    148.756   30.690    120.089   30.086    31.444  3.7157  27.848  4.1610  3.595425       5.578598 
1 1 1 4   -33 29 o 13.488  2.9963  22.903    15.939    -16.4491  23.956    54.160    21.351    8.6514  4.0632  18.324  4.4047  -9.672215      5.992553 
1 1 1 4   -33 30 o 20.977  3.4316  73.064    18.986    87.433    27.793    60.493    25.996    23.142  4.6453  18.813  5.0522  4.329433       6.863178 
1 1 1 4   -33 31 o 14.627  3.5345  35.845    17.654    20.060    26.514    48.416    23.662    12.439  5.0636  16.815  4.9326  -4.376094      7.069000 
1 1 1 4   -33 32 o 13.865  3.6591  26.881    19.266    8.0159    25.505    51.950    29.400    10.906  4.7267  16.825  5.5869  -5.919130      7.318166 
1 1 1 4   -33 33 o 26.628  4.6329  118.005   31.842    118.005   31.842    0.0000    0.0000    26.628  4.6329  ?       ?       ?              ?        
1 1 1 4   -33 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -33 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -33 36 o 10.450  4.6008  9.0142    24.990    0.0000    0.0000    9.0142    24.990    ?       ?       10.450  4.6008  ?              ?        
1 1 1 4   -33 37 o 11.739  3.7921  11.023    21.837    46.215    46.880    1.2710    24.678    13.954  6.2138  9.5237  4.3483  4.430172       7.584111 
1 1 1 4   -32 0  o 16.334  3.0153  39.722    13.537    51.345    19.921    29.749    18.451    18.510  4.1236  14.158  4.4005  4.352386       6.030647 
1 1 1 4   -32 1  o 13.899  3.0322  27.906    12.587    35.897    18.482    20.995    17.189    15.444  4.3061  12.354  4.2702  3.090034       6.064396 
1 1 1 4   -32 2  o 17.432  2.7496  43.938    13.054    70.460    19.573    22.690    17.519    22.133  3.4112  12.730  4.3134  9.402307       5.499269 
1 1 1 4   -32 3  o 12.373  3.0094  20.250    12.173    27.007    18.114    14.685    16.438    13.646  4.3758  11.099  4.1325  2.546983       6.018744 
1 1 1 4   -32 4  o 12.906  3.0499  22.744    12.320    28.357    18.966    18.646    16.204    13.973  4.4771  11.839  4.1429  2.134174       6.099891 
1 1 1 4   -32 5  o 20.746  2.7749  62.132    14.757    83.313    22.117    45.137    19.811    24.110  3.5294  17.382  4.2829  6.727386       5.549753 
1 1 1 4   -32 6  o 19.896  2.8013  57.807    14.389    63.783    21.006    52.525    19.751    20.910  3.8940  18.882  4.0281  2.027866       5.602536 
1 1 1 4   -32 7  o 82.871  2.3678  959.852   52.544    989.601   75.147    931.394   73.499    84.141  3.3344  81.600  3.3628  2.541321       4.735632 
1 1 1 4   -32 8  o 36.888  2.2335  190.130   21.782    210.941   31.445    170.933   30.201    38.895  3.0426  34.882  3.2706  4.013165       4.467023 
1 1 1 4   -32 9  o 43.088  2.1340  258.293   24.465    258.883   35.088    257.735   34.128    43.115  3.0582  43.062  2.9772  0.5308533E-01  4.268077 
1 1 1 4   -32 10 o 18.278  2.9692  48.532    14.358    64.217    21.444    35.784    19.331    21.001  3.9574  15.555  4.4276  5.445557       5.938392 
1 1 1 4   -32 11 o 19.409  2.9446  56.934    14.942    39.902    21.782    72.073    20.535    16.365  4.7132  22.453  3.5313  -6.087727      5.889283 
1 1 1 4   -32 12 o 26.377  2.5959  99.179    17.817    106.468   25.777    92.512    24.653    27.345  3.6074  25.410  3.7337  1.935705       5.191709 
1 1 1 4   -32 13 o 19.271  3.0439  55.508    15.358    46.375    22.273    63.788    21.206    17.596  4.6541  20.945  3.9242  -3.349089      6.087749 
1 1 1 4   -32 14 o 37.617  2.2374  198.087   22.203    223.074   31.687    173.985   31.121    40.057  2.9746  35.178  3.3431  4.878464       4.474832 
1 1 1 4   -32 15 o 29.832  2.4102  125.845   18.903    122.720   26.851    128.915   26.616    29.431  3.4731  30.232  3.3428  -0.8011169     4.820431 
1 1 1 4   -32 16 o 50.637  2.1734  357.983   29.226    389.608   41.163    325.837   41.502    53.005  2.9105  48.269  3.2287  4.736080       4.346877 
1 1 1 4   -32 17 o 11.285  2.9506  7.0624    13.332    31.194    20.447    -10.7829  17.583    14.635  4.6445  7.9348  3.6406  6.700276       5.901237 
1 1 1 4   -32 18 o 79.257  2.3170  879.095   49.059    952.884   69.556    806.050   69.205    82.707  3.1398  75.807  3.4083  6.899239       4.634081 
1 1 1 4   -32 19 o 50.650  2.1819  358.792   29.420    378.601   41.582    338.936   41.631    52.119  2.9912  49.181  3.1773  2.937336       4.363735 
1 1 1 4   -32 20 o 38.743  2.2797  212.149   23.257    240.588   32.972    183.992   32.809    41.485  2.9874  36.001  3.4444  5.483559       4.559457 
1 1 1 4   -32 21 o 39.446  2.2364  219.398   23.392    230.192   32.873    208.326   33.294    40.501  3.0528  38.391  3.2689  2.109703       4.472759 
1 1 1 4   -32 22 o 18.726  3.2014  53.634    16.302    71.317    23.227    36.466    22.886    21.919  4.1071  15.534  4.9119  6.385211       6.402770 
1 1 1 4   -32 23 o 25.230  2.8943  94.402    18.842    101.527   26.571    87.195    26.724    26.322  3.8856  24.139  4.2905  2.182894       5.788513 
1 1 1 4   -32 24 o 56.046  2.1954  443.806   32.827    444.478   46.273    443.125   46.576    56.102  3.0913  55.991  3.1180  0.1105957      4.390721 
1 1 1 4   -32 25 o 9.8582  2.9464  3.9523    13.401    8.7671    19.809    -0.1110   18.197    10.595  4.3520  9.1217  3.9729  1.473062       5.892725 
1 1 1 4   -32 26 o 25.162  2.9390  96.362    18.750    120.696   26.724    72.767    26.315    28.755  3.5448  21.569  4.6888  7.185862       5.877958 
1 1 1 4   -32 27 o 29.972  2.6658  132.937   20.547    162.180   29.811    106.471   28.360    33.420  3.3765  26.523  4.1262  6.897816       5.331646 
1 1 1 4   -32 28 o 35.012  2.4779  180.763   22.739    162.868   32.747    197.423   31.598    33.090  3.7617  36.934  3.2265  -3.843700      4.955836 
1 1 1 4   -32 29 o 16.977  3.2591  47.323    17.032    19.594    24.991    71.371    23.274    12.530  4.9795  21.423  4.2061  -8.893665      6.518192 
1 1 1 4   -32 30 o 8.0105  2.6370  -16.2603  14.370    -33.7356  21.532    -2.2268   19.295    7.0737  3.4545  8.9474  3.9853  -1.873651      5.274099 
1 1 1 4   -32 31 o 27.629  3.0194  121.089   21.205    99.265    30.525    141.443   29.480    24.643  4.7973  30.616  3.6679  -5.973526      6.038830 
1 1 1 4   -32 32 o 17.289  3.3233  51.364    18.187    18.505    26.906    79.009    24.679    12.336  5.0702  22.243  4.2978  -9.907293      6.646637 
1 1 1 4   -32 33 o 26.922  3.3072  118.727   22.845    116.155   30.594    121.969   34.345    26.862  4.4049  26.981  4.9343  -0.1189442     6.614352 
1 1 1 4   -32 34 o 17.423  5.3522  54.901    27.386    54.901    27.386    0.0000    0.0000    17.423  5.3522  ?       ?       ?              ?        
1 1 1 4   -32 35 o 20.291  5.2486  74.140    28.741    74.140    28.741    0.0000    0.0000    20.291  5.2486  ?       ?       ?              ?        
1 1 1 4   -32 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -32 37 o 17.268  5.9332  63.338    33.160    0.0000    0.0000    63.338    33.160    ?       ?       17.268  5.9332  ?              ?        
1 1 1 4   -32 38 o 15.313  4.1382  52.478    23.432    47.398    46.998    54.158    27.031    14.337  6.3107  16.288  5.3546  -1.950388      8.276327 
1 1 1 4   -32 39 o 17.506  3.8090  68.223    21.104    47.056    31.636    85.193    28.327    14.307  5.6288  20.705  5.1334  -6.398325      7.618058 
1 1 1 4   -31 0  o 26.448  2.3549  99.296    16.271    97.085    23.639    101.287   22.429    26.104  3.4666  26.791  3.1882  -0.6871834     4.709784 
1 1 1 4   -31 1  o 7.3670  2.3640  -12.2028  10.283    1.8699    16.059    -21.9844  13.388    9.0071  3.8240  5.7270  2.7804  3.280038       4.727973 
1 1 1 4   -31 2  f 61.625  2.1469  526.548   35.350    511.995   50.375    540.669   49.620    60.702  3.1087  62.549  2.9618  -1.846695      4.293713 
1 1 1 4   -31 3  o 9.1046  2.6371  2.0705    10.496    12.627    16.257    -5.4762   13.745    10.789  4.0900  7.4204  3.3301  3.368532       5.274189 
1 1 1 4   -31 4  o 16.335  2.9912  38.458    13.243    48.186    19.941    30.783    17.713    18.114  4.1930  14.556  4.2671  3.557474       5.982390 
1 1 1 4   -31 5  o 15.662  3.0077  35.274    12.854    41.248    19.779    30.906    16.913    16.738  4.3660  14.585  4.1379  2.153100       6.015316 
1 1 1 4   -31 6  o 44.192  2.0428  269.338   24.041    270.380   34.386    268.340   33.626    44.263  2.9167  44.120  2.8609  0.1432152      4.085562 
1 1 1 4   -31 7  o 49.559  2.0614  338.969   27.193    322.103   38.871    355.134   38.055    48.295  3.0201  50.822  2.8064  -2.527531      4.122762 
1 1 1 4   -31 8  o 19.252  2.8846  57.120    14.772    28.494    21.748    81.640    20.128    14.364  4.8062  24.140  3.1912  -9.775864      5.769122 
1 1 1 4   -31 9  o 32.492  2.2696  147.050   19.126    181.955   27.749    115.459   26.399    36.321  2.8759  28.663  3.5121  7.657772       4.539286 
1 1 1 4   -31 10 o 41.901  2.1157  242.224   23.583    249.432   33.647    235.264   33.063    42.525  2.9728  41.278  3.0112  1.246574       4.231438 
1 1 1 4   -31 11 o 45.352  2.1391  283.837   25.830    281.444   36.835    286.152   36.231    45.146  3.0643  45.559  2.9856  -0.4124146     4.278276 
1 1 1 4   -31 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -31 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -31 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -31 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -31 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -31 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -31 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -31 19 o 33.678  3.3076  158.714   29.451    0.0000    0.0000    158.714   29.451    ?       ?       33.678  3.3076  ?              ?        
1 1 1 4   -31 20 o 31.290  2.4557  138.733   20.045    121.094   28.528    155.932   28.170    29.173  3.7369  33.406  3.1870  -4.233095      4.911312 
1 1 1 4   -31 21 o 9.9840  2.9569  4.1469    13.323    1.5361    19.222    6.5606    18.483    9.7302  4.1587  10.238  4.2044  -0.5077477     5.913702 
1 1 1 4   -31 22 o 26.473  2.6376  100.621   18.100    90.702    25.549    110.615   25.646    25.044  3.9388  27.903  3.5091  -2.859095      5.275205 
1 1 1 4   -31 23 o 30.611  2.4203  132.837   19.502    131.471   27.646    134.191   27.516    30.439  3.4520  30.784  3.3935  -0.3449955     4.840635 
1 1 1 4   -31 24 o 12.681  3.1367  19.060    14.010    34.241    20.426    5.5736    19.253    15.166  4.6156  10.196  4.2486  4.969326       6.273302 
1 1 1 4   -31 25 o 10.654  2.8758  1.6123    13.680    28.810    19.901    -22.7504  18.835    14.060  4.5931  7.2484  3.4617  6.811629       5.751518 
1 1 1 4   -31 26 o 28.194  2.6461  115.700   19.408    107.127   27.736    123.925   27.167    27.036  3.9464  29.352  3.5261  -2.316614      5.292212 
1 1 1 4   -31 27 o 11.707  3.1944  14.825    14.359    22.303    21.035    8.2987    19.650    12.874  4.6952  10.541  4.3327  2.333570       6.388839 
1 1 1 4   -31 28 o 14.878  3.3801  32.576    15.736    46.092    23.210    21.079    21.407    17.110  4.8450  12.647  4.7145  4.463005       6.760210 
1 1 1 4   -31 29 o 24.046  3.0049  88.209    18.606    85.232    26.972    90.912    25.698    23.518  4.4447  24.574  4.0450  -1.055908      6.009768 
1 1 1 4   -31 30 o 22.653  3.1930  83.181    18.558    58.190    27.335    104.551   25.277    18.754  5.2395  26.552  3.6508  -7.797535      6.385958 
1 1 1 4   -31 31 f 28.710  2.7279  123.939   20.409    133.707   29.679    115.176   28.110    29.838  3.7999  27.582  3.9148  2.255985       5.455718 
1 1 1 4   -31 32 o 7.3949  2.5077  -22.7252  13.960    -18.4136  21.662    -25.7879  18.257    8.0524  3.8068  6.7375  3.2653  1.314924       5.015394 
1 1 1 4   -31 33 f 29.225  2.8112  131.738   21.378    130.746   31.194    132.617   29.355    28.965  4.1384  29.484  3.8060  -0.5182266     5.622439 
1 1 1 4   -31 34 o 15.258  3.7474  39.754    18.597    36.216    24.661    44.419    28.317    14.657  5.1120  15.858  5.4809  -1.201015      7.494881 
1 1 1 4   -31 35 o 34.872  3.7264  186.717   34.267    186.717   34.267    0.0000    0.0000    34.872  3.7264  ?       ?       ?              ?        
1 1 1 4   -31 36 o 9.0558  4.1505  -6.3435   22.773    -6.3435   22.773    0.0000    0.0000    9.0558  4.1505  ?       ?       ?              ?        
1 1 1 4   -31 37 o 23.495  8.5682  164.674   70.051    0.0000    0.0000    164.674   70.051    ?       ?       23.495  8.5682  ?              ?        
1 1 1 4   -31 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -31 39 o 21.013  5.4007  86.148    30.563    0.0000    0.0000    86.148    30.563    ?       ?       21.013  5.4007  ?              ?        
1 1 1 4   -31 40 o 11.199  3.3818  16.069    18.756    0.1058    26.879    31.216    26.184    9.6691  4.4600  12.729  5.0848  -3.060117      6.763625 
1 1 1 4   -30 0  o 9.9955  2.7758  7.1245    11.150    15.845    16.589    -0.0602   15.058    11.466  4.1715  8.5247  3.6631  2.941638       5.551505 
1 1 1 4   -30 1  o 29.515  2.2585  121.275   17.496    135.209   25.222    108.350   24.291    31.212  3.0561  27.818  3.3260  3.394657       4.516908 
1 1 1 4   -30 2  o 33.067  2.1320  151.729   18.599    138.961   26.509    164.109   26.102    31.627  3.1721  34.508  2.8496  -2.880888      4.264022 
1 1 1 4   -30 3  o 19.140  2.6643  53.976    13.127    34.108    18.685    73.337    18.445    15.356  4.3468  22.924  3.0821  -7.568395      5.328600 
1 1 1 4   -30 4  o 25.390  2.5058  94.351    15.734    66.089    23.126    118.709   21.469    21.414  4.1819  29.366  2.7619  -7.952278      5.011614 
1 1 1 4   -30 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -30 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -30 7  o 18.347  5.7686  48.753    31.604    48.753    31.604    0.0000    0.0000    18.347  5.7686  ?       ?       ?              ?        
1 1 1 4   -30 8  o 78.736  2.2399  848.874   47.199    897.249   67.406    802.340   66.110    80.969  3.1081  76.503  3.2263  4.465622       4.479837 
1 1 1 4   -30 9  o 21.101  2.6267  63.829    14.180    54.806    20.662    71.863    19.496    19.533  4.0807  22.669  3.3083  -3.135653      5.253334 
1 1 1 4   -30 10 o 43.048  2.0576  253.992   23.576    251.006   33.695    256.855   32.998    42.783  2.9585  43.313  2.8605  -0.5303802     4.115219 
1 1 1 4   -30 11 o 32.421  2.1989  145.038   18.855    142.676   26.820    147.345   26.513    32.144  3.1558  32.698  3.0630  -0.5540581     4.397864 
1 1 1 4   -30 12 o 19.961  2.7046  58.161    13.814    39.042    19.671    76.766    19.405    16.437  4.3864  23.485  3.1653  -7.048128      5.409243 
1 1 1 4   -30 13 o 10.920  2.8452  10.927    12.039    -3.8415   17.918    23.080    16.254    8.8685  3.9003  12.971  4.1436  -4.102247      5.690446 
1 1 1 4   -30 14 o 45.318  2.0770  281.519   25.065    271.943   35.318    291.237   35.578    44.524  2.9787  46.112  2.8953  -1.588634      4.153949 
1 1 1 4   -30 15 o 29.753  2.3116  122.810   18.105    117.415   25.462    128.328   25.750    29.066  3.3307  30.441  3.2064  -1.374723      4.623261 
1 1 1 4   -30 16 o 61.495  2.0824  516.873   34.296    522.547   48.281    511.095   48.724    61.849  2.9145  61.142  2.9752  0.7067184      4.164850 
1 1 1 4   -30 17 o 26.455  2.6924  101.414   17.402    144.694   25.064    61.129    24.181    32.414  2.9182  20.496  4.5256  11.91773       5.384868 
1 1 1 4   -30 18 o 31.118  2.2628  134.284   18.590    132.131   26.208    136.464   26.373    30.858  3.2181  31.377  3.1820  -0.5185566     4.525633 
1 1 1 4   -30 19 o 44.202  2.0817  268.670   24.505    270.492   34.678    266.852   34.634    44.356  2.9354  44.048  2.9526  0.3074036      4.163490 
1 1 1 4   -30 20 o 51.880  2.1071  371.520   29.042    400.449   40.615    341.256   41.543    54.032  2.8161  49.727  3.1351  4.305729       4.214170 
1 1 1 4   -30 21 o 58.902  2.0750  476.641   32.676    475.427   45.726    477.909   46.712    58.877  2.8995  58.928  2.9690  -0.5150223E-01 4.149978 
1 1 1 4   -30 22 o 17.673  3.1839  46.306    15.192    39.988    22.109    51.957    20.910    16.497  4.7476  18.849  4.2439  -2.352402      6.367893 
1 1 1 4   -30 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -30 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -30 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -30 26 o 46.804  2.1386  305.305   26.655    294.960   37.612    315.745   37.782    45.976  3.0719  47.632  2.9763  -1.656593      4.277256 
1 1 1 4   -30 27 o 29.432  2.5042  123.957   19.307    118.603   27.621    129.073   26.998    28.735  3.6728  30.130  3.4051  -1.395279      5.008408 
1 1 1 4   -30 28 o 21.629  3.1031  70.012    17.512    103.308   25.918    42.042    23.755    26.701  3.7255  16.558  4.9637  10.14318       6.206191 
1 1 1 4   -30 29 o 15.778  3.3787  37.278    15.751    48.708    23.291    27.645    21.383    17.715  4.7925  13.840  4.7640  3.875277       6.757453 
1 1 1 4   -30 30 o 34.170  2.3707  167.200   21.367    182.828   31.109    153.243   29.398    35.731  3.2874  32.608  3.4167  3.123318       4.741349 
1 1 1 4   -30 31 o 33.232  2.4887  160.916   21.764    159.822   31.736    161.888   29.905    33.026  3.6485  33.437  3.3857  -0.4106407     4.977440 
1 1 1 4   -30 32 o 58.156  2.2721  486.613   35.237    505.006   50.746    469.487   48.966    59.221  3.2111  57.091  3.2153  2.130447       4.544150 
1 1 1 4   -30 33 o 17.427  3.4026  50.149    17.258    32.007    24.777    67.244    24.051    14.293  5.1114  20.561  4.4928  -6.267803      6.805266 
1 1 1 4   -30 34 o 18.012  3.4196  53.838    17.474    71.883    25.086    36.829    24.355    21.088  4.5728  14.935  5.0857  6.153482       6.839215 
1 1 1 4   -30 35 o 12.018  2.9547  5.2150    16.122    48.370    22.641    -39.1739  22.963    16.966  4.7786  7.0703  3.4763  9.895937       5.909329 
1 1 1 4   -30 36 f 5.4910  2.7717  -57.7399  19.398    -57.7399  19.398    0.0000    0.0000    5.4910  2.7717  ?       ?       ?              ?        
1 1 1 4   -30 37 o 25.736  4.5509  109.238   30.223    109.238   30.223    0.0000    0.0000    25.736  4.5509  ?       ?       ?              ?        
1 1 1 4   -30 38 o 9.7737  4.8742  -80.9100  51.520    0.0000    0.0000    -80.9100  51.520    ?       ?       9.7737  4.8742  ?              ?        
1 1 1 4   -30 39 o 15.336  5.4452  45.131    28.071    0.0000    0.0000    45.131    28.071    ?       ?       15.336  5.4452  ?              ?        
1 1 1 4   -30 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -30 41 o 26.481  3.5022  130.827   23.921    128.055   34.026    133.535   33.636    26.029  5.0627  26.933  4.8405  -0.9040051     7.004437 
1 1 1 4   -30 42 o 10.218  3.1962  5.9375    18.788    29.843    25.974    -20.2921  27.208    12.202  4.9945  8.2349  3.9898  3.966701       6.392423 
1 1 1 4   -29 0  o 32.628  2.1370  147.231   18.307    169.012   26.106    126.159   25.678    35.093  2.8007  30.162  3.2285  4.931499       4.274035 
1 1 1 4   -29 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -29 2  o 28.594  5.3036  119.120   39.123    119.120   39.123    0.0000    0.0000    28.594  5.3036  ?       ?       ?              ?        
1 1 1 4   -29 3  o 51.007  2.0106  355.097   27.355    363.221   39.102    347.309   38.284    51.581  2.8412  50.433  2.8457  1.147278       4.021231 
1 1 1 4   -29 4  o 29.305  2.1387  118.244   16.542    118.346   23.643    118.147   23.154    29.309  3.0566  29.301  2.9922  0.8087158E-02  4.277393 
1 1 1 4   -29 5  o 22.614  2.4453  72.045    14.228    64.201    20.573    79.236    19.697    21.325  3.7382  23.904  3.1534  -2.579481      4.890590 
1 1 1 4   -29 6  o 32.713  2.0391  147.153   17.603    135.042   25.237    158.627   24.565    31.346  3.0443  34.080  2.7135  -2.734144      4.078118 
1 1 1 4   -29 7  o 7.4596  2.2402  -4.6562   8.9002    -22.0276  13.807    7.6934    11.642    5.9118  2.8587  9.0073  3.4498  -3.095469      4.480367 
1 1 1 4   -29 8  o 41.937  2.0338  240.212   22.696    234.246   32.288    246.040   31.910    41.405  2.9303  42.470  2.8212  -1.064857      4.067641 
1 1 1 4   -29 9  o 65.323  2.0907  580.283   36.570    599.034   52.039    561.987   51.404    66.375  2.9271  64.271  2.9860  2.104874       4.181399 
1 1 1 4   -29 10 o 50.401  2.0101  346.242   27.016    337.707   38.342    354.658   38.073    49.768  2.8887  51.034  2.7959  -1.265995      4.020149 
1 1 1 4   -29 11 o 66.719  2.0954  605.893   37.383    648.832   53.055    563.553   52.683    69.102  2.8665  64.337  3.0572  4.764748       4.190830 
1 1 1 4   -29 12 o 67.239  2.0967  615.054   37.753    630.942   53.462    599.250   53.319    68.117  2.9302  66.360  2.9997  1.756889       4.193400 
1 1 1 4   -29 13 o 30.916  2.2073  131.488   18.026    130.455   25.293    132.555   25.699    30.794  3.1090  31.037  3.1342  -0.2426643     4.414651 
1 1 1 4   -29 14 o 32.782  2.1525  147.628   18.673    151.959   26.281    143.212   26.535    33.289  2.9790  32.275  3.1079  1.013306       4.305024 
1 1 1 4   -29 15 o 73.429  2.1601  735.552   42.425    774.582   59.740    695.839   60.260    75.437  2.9566  71.422  3.1500  4.014664       4.320159 
1 1 1 4   -29 16 o 80.891  2.2205  892.997   48.104    906.035   67.842    879.815   68.218    81.501  3.1078  80.282  3.1724  1.218590       4.440987 
1 1 1 4   -29 17 o 68.180  2.0909  633.363   38.178    638.507   53.648    628.085   54.341    68.473  2.9251  67.887  2.9885  0.5857239      4.181809 
1 1 1 4   -29 18 o 30.117  2.2101  125.126   17.568    124.374   24.751    125.888   24.940    30.025  3.1234  30.208  3.1276  -0.1828117     4.420153 
1 1 1 4   -29 19 o 10.820  2.8526  8.2944    12.433    -8.3476   17.811    24.111    17.363    8.3498  3.7650  13.291  4.2865  -4.940949      5.705214 
1 1 1 4   -29 20 o 17.688  3.0266  45.248    14.184    44.792    19.957    45.713    20.162    17.599  4.2759  17.778  4.2846  -0.1789570     6.053201 
1 1 1 4   -29 21 o 27.618  2.3903  106.716   17.129    122.932   24.340    90.807    24.109    29.819  3.0924  25.417  3.6458  4.402361       4.780659 
1 1 1 4   -29 22 o 21.584  2.7550  67.039    15.202    82.896    21.641    51.590    21.360    24.318  3.4168  18.850  4.3227  5.467482       5.510018 
1 1 1 4   -29 23 o 20.245  2.8348  58.987    14.827    56.546    20.965    61.430    20.971    19.792  4.0900  20.699  3.9262  -0.9074764     5.669509 
1 1 1 4   -29 24 o 48.638  2.0687  325.565   26.801    309.725   37.836    341.516   37.969    47.415  2.9945  49.860  2.8550  -2.444656      4.137386 
1 1 1 4   -29 25 o 14.758  3.1173  30.974    13.808    19.367    19.697    42.190    19.363    12.543  4.5481  16.973  4.2645  -4.430597      6.234653 
1 1 1 4   -29 26 o 50.730  2.1293  356.208   28.773    341.678   40.929    370.406   40.459    49.659  3.0924  51.800  2.9280  -2.140869      4.258698 
1 1 1 4   -29 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -29 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -29 29 o 13.688  3.1241  21.892    14.852    46.706    21.912    0.8055    20.199    17.575  4.6009  9.8023  4.2275  7.772331       6.248194 
1 1 1 4   -29 30 o 35.140  2.3396  175.091   21.740    177.439   31.541    172.967   30.005    35.327  3.3744  34.953  3.2418  0.3735809      4.679284 
1 1 1 4   -29 31 o 24.025  2.8936  86.409    17.799    79.380    26.328    92.326    24.156    22.888  4.4548  25.162  3.6942  -2.273886      5.787239 
1 1 1 4   -29 32 o 19.953  3.0523  60.026    17.081    104.576   25.430    23.405    23.056    26.736  3.6462  13.171  4.8961  13.56492       6.104649 
1 1 1 4   -29 33 o 14.918  3.4385  33.728    15.946    44.207    23.814    25.209    21.471    16.606  4.9680  13.231  4.7553  3.374484       6.877024 
1 1 1 4   -29 34 o 28.278  2.7705  121.105   20.272    112.516   29.505    128.787   27.901    27.082  4.2038  29.474  3.6096  -2.392612      5.540905 
1 1 1 4   -29 35 o 9.1628  2.7553  -15.5615  14.535    -52.0962  20.485    21.477    20.626    5.9922  3.0011  12.333  4.6218  -6.341287      5.510662 
1 1 1 4   -29 36 o 16.532  3.5022  45.771    17.953    65.931    25.420    25.707    25.359    19.886  4.8222  13.177  5.0803  6.709035       7.004493 
1 1 1 4   -29 37 o 21.108  5.0624  76.578    28.253    76.578    28.253    0.0000    0.0000    21.108  5.0624  ?       ?       ?              ?        
1 1 1 4   -29 38 o 8.7520  4.0645  -10.5005  22.892    -10.5005  22.892    0.0000    0.0000    8.7520  4.0645  ?       ?       ?              ?        
1 1 1 4   -29 39 o 17.954  7.6163  84.279    63.618    0.0000    0.0000    84.279    63.618    ?       ?       17.954  7.6163  ?              ?        
1 1 1 4   -29 40 o 21.380  5.4163  85.516    31.052    0.0000    0.0000    85.516    31.052    ?       ?       21.380  5.4163  ?              ?        
1 1 1 4   -29 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -29 42 o 9.4298  3.1061  -4.6485   19.141    -9.7926   26.525    0.9402    27.648    8.9776  4.2346  9.8820  4.5454  -0.9044027     6.212280 
1 1 1 4   -29 43 o 11.231  3.4336  17.052    19.826    -2.1522   27.472    37.925    28.641    9.3565  4.3805  13.105  5.2886  -3.748366      6.867134 
1 1 1 4   -28 0  o 22.275  2.2895  68.907    13.188    78.671    19.125    60.055    18.209    23.847  3.0652  20.703  3.4018  3.143158       4.579032 
1 1 1 4   -28 1  o 19.793  2.6157  55.907    13.285    47.622    19.224    63.481    18.380    18.259  4.0379  21.328  3.3260  -3.068720      5.231334 
1 1 1 4   -28 2  o 94.610  2.4167  1222.74   61.215    1193.68   87.069    1251.14   86.082    93.465  3.4780  95.754  3.3563  -2.288872      4.833346 
1 1 1 4   -28 3  o 36.968  2.0042  186.315   19.682    195.149   28.222    177.950   27.463    37.832  2.8051  36.104  2.8634  1.728378       4.008408 
1 1 1 4   -28 4  o 36.854  1.9926  185.199   19.515    185.417   27.921    184.991   27.287    36.868  2.8496  36.840  2.7859  0.2754211E-01  3.985133 
1 1 1 4   -28 5  o 24.145  2.3058  80.412    14.399    94.893    21.051    67.679    19.740    26.263  3.0492  22.027  3.4597  4.235397       4.611647 
1 1 1 4   -28 6  o 76.822  2.1611  801.296   44.461    815.258   63.544    787.905   62.232    77.475  3.0622  76.168  3.0503  1.306702       4.322197 
1 1 1 4   -28 7  o 24.191  2.2614  80.870    14.287    81.107    20.535    80.648    19.890    24.214  3.2481  24.167  3.1473  0.4633713E-01  4.522838 
1 1 1 4   -28 8  o 76.301  2.1737  790.414   44.397    828.116   63.295    753.899   62.290    78.108  3.0254  74.493  3.1219  3.614418       4.347316 
1 1 1 4   -28 9  o 44.948  1.9841  274.717   23.765    280.764   33.747    268.767   33.473    45.446  2.7858  44.451  2.8261  0.9947319      3.968295 
1 1 1 4   -28 10 o 107.729 2.5446  1583.57   73.415    1620.50   104.484   1547.56   103.176   108.980 3.5794  106.478 3.6177  2.501945       5.089211 
1 1 1 4   -28 11 o 9.4304  2.6385  5.8949    10.226    -1.5255   15.145    12.114    13.865    8.4445  3.6512  10.416  3.8099  -1.971713      5.276937 
1 1 1 4   -28 12 o 38.439  2.0286  201.468   20.625    176.483   28.770    227.885   29.583    35.938  3.0167  40.941  2.7131  -5.002468      4.057248 
1 1 1 4   -28 13 o 29.861  2.1076  122.165   16.630    122.489   23.352    121.833   23.688    29.908  2.9537  29.815  3.0074  0.9295464E-01  4.215263 
1 1 1 4   -28 14 o 27.859  2.2199  106.766   16.273    104.292   22.932    109.275   23.096    27.523  3.1685  28.194  3.1102  -0.6712208     4.439863 
1 1 1 4   -28 15 o 64.017  2.0223  555.987   34.666    567.411   48.840    544.387   49.212    64.691  2.8186  63.342  2.9006  1.348957       4.044537 
1 1 1 4   -28 16 o 52.362  1.9612  372.754   27.402    375.533   38.486    369.897   39.025    52.569  2.7428  52.155  2.8038  0.4139709      3.922304 
1 1 1 4   -28 17 o 98.702  2.4092  1329.78   63.690    1339.23   89.851    1320.24   90.294    99.066  3.3862  98.338  3.4280  0.7274094      4.818470 
1 1 1 4   -28 18 o 55.468  1.9824  418.579   29.354    416.779   41.175    420.439   41.858    55.352  2.7861  55.585  2.8207  -0.2323418     3.964714 
1 1 1 4   -28 19 o 11.174  2.3606  6.0649    11.065    -27.8252  16.009    37.068    15.312    6.2060  3.0192  16.142  3.6296  -9.935856      4.721227 
1 1 1 4   -28 20 o 49.582  1.9557  334.762   25.844    314.956   36.159    355.446   36.951    48.062  2.8212  51.102  2.7093  -3.040096      3.911398 
1 1 1 4   -28 21 o 89.384  2.3101  1092.53   55.285    1119.48   77.878    1065.14   78.496    90.526  3.2118  88.242  3.3211  2.284355       4.620117 
1 1 1 4   -28 22 o 14.957  3.0226  31.890    12.742    29.470    18.128    34.252    17.912    14.457  4.3367  15.458  4.2116  -1.001527      6.045248 
1 1 1 4   -28 23 o 30.205  2.1479  125.780   17.140    124.323   24.090    127.274   24.392    30.026  3.0371  30.383  3.0380  -0.3574734     4.295753 
1 1 1 4   -28 24 o 45.865  2.0191  287.985   24.675    296.488   35.175    279.747   34.624    46.541  2.8352  45.189  2.8755  1.351673       4.038152 
1 1 1 4   -28 25 o 34.076  2.1955  160.328   19.812    164.625   28.452    156.283   27.605    34.521  3.1105  33.632  3.0993  0.8889313      4.390994 
1 1 1 4   -28 26 o 15.147  3.0270  33.196    13.557    18.477    19.866    46.026    18.548    12.454  4.5597  17.839  3.9825  -5.385476      6.054015 
1 1 1 4   -28 27 o 22.752  2.7485  74.443    15.800    101.489   23.076    50.574    21.678    26.938  3.2649  18.567  4.4223  8.371151       5.496966 
1 1 1 4   -28 28 o 40.718  2.1403  229.803   23.154    223.937   33.150    235.389   32.354    40.173  3.1049  41.263  2.9467  -1.090359      4.280615 
1 1 1 4   -28 29 o 16.133  3.1261  37.272    15.685    11.668    22.423    61.802    21.948    11.706  4.6951  20.561  4.1288  -8.854682      6.252284 
1 1 1 4   -28 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -28 31 o 16.333  2.5643  21.856    15.811    92.584    24.443    -29.0319  20.733    25.327  3.7135  7.3385  3.5373  17.98810       5.128577 
1 1 1 4   -28 32 o 14.086  3.2990  28.123    14.891    38.351    21.425    18.563    20.712    15.875  4.7038  12.298  4.6270  3.576999       6.598083 
1 1 1 4   -28 33 o 22.392  3.1169  76.412    18.008    85.798    25.415    66.947    25.520    23.979  4.1045  20.804  4.6917  3.175570       6.233717 
1 1 1 4   -28 34 o 28.848  2.7258  124.657   20.112    103.684   29.091    143.859   27.836    26.136  4.3056  31.561  3.3438  -5.425644      5.451524 
1 1 1 4   -28 35 o 20.808  3.3959  69.330    18.548    66.893    26.148    71.798    26.313    20.391  4.8569  21.224  4.7475  -0.8328781     6.791780 
1 1 1 4   -28 36 o 26.268  3.0326  107.319   20.476    123.174   29.431    92.445    28.506    28.431  3.9733  24.106  4.5824  4.324902       6.065124 
1 1 1 4   -28 37 o 17.360  3.7046  52.234    18.801    57.702    26.031    46.271    27.183    18.379  5.1054  16.342  5.3695  2.037397       7.409253 
1 1 1 4   -28 38 o 24.749  4.7098  101.048   30.081    101.048   30.081    0.0000    0.0000    24.749  4.7098  ?       ?       ?              ?        
1 1 1 4   -28 39 o 15.122  5.4096  40.781    27.755    40.781    27.755    0.0000    0.0000    15.122  5.4096  ?       ?       ?              ?        
1 1 1 4   -28 40 o 19.031  7.6873  96.126    60.577    0.0000    0.0000    96.126    60.577    ?       ?       19.031  7.6873  ?              ?        
1 1 1 4   -28 41 o 33.127  4.2706  180.510   37.011    0.0000    0.0000    180.510   37.011    ?       ?       33.127  4.2706  ?              ?        
1 1 1 4   -28 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -28 43 o 10.680  3.3680  10.733    19.618    14.402    26.937    6.5882    28.628    10.950  4.7997  10.411  4.7261  0.5392542      6.735975 
1 1 1 4   -28 44 o 12.318  3.5381  20.440    21.122    -16.0957  28.903    62.319    30.944    8.6653  4.1767  15.972  5.7121  -7.306379      7.076245 
1 1 1 4   -27 0  o 38.599  1.9950  203.464   20.396    183.531   28.894    223.261   28.796    36.666  2.9675  40.532  2.6673  -3.866352      3.990079 
1 1 1 4   -27 1  o 64.879  2.0595  570.519   35.786    570.945   50.928    570.104   50.296    64.898  2.9298  64.860  2.8952  0.3865051E-01  4.118928 
1 1 1 4   -27 2  o 64.153  2.0422  557.678   35.081    547.046   49.899    568.069   49.330    63.537  2.9321  64.769  2.8435  -1.231911      4.084426 
1 1 1 4   -27 3  o 44.296  1.9565  266.474   23.092    266.026   32.954    266.907   32.369    44.254  2.7945  44.339  2.7390  -0.8560181E-01 3.912939 
1 1 1 4   -27 4  o 90.598  2.2989  1114.29   55.780    1114.25   79.507    1114.31   78.277    90.587  3.2768  90.609  3.2253  -0.2185059E-01 4.597850 
1 1 1 4   -27 5  o 60.736  2.0073  498.712   32.642    518.735   46.771    479.696   45.579    61.928  2.8197  59.544  2.8578  2.383904       4.014692 
1 1 1 4   -27 6  o 55.769  1.9759  420.889   29.458    433.568   42.056    408.679   41.274    56.633  2.7725  54.905  2.8160  1.727371       3.951801 
1 1 1 4   -27 7  o 90.000  2.3276  1098.84   56.104    1098.42   79.946    1099.24   78.752    89.975  3.3173  90.026  3.2659  -0.5155182E-01 4.655203 
1 1 1 4   -27 8  o 72.786  2.1257  717.172   41.432    706.216   58.932    727.881   58.262    72.226  3.0463  73.346  2.9656  -1.120079      4.251453 
1 1 1 4   -27 9  o 54.833  1.9691  406.794   28.865    415.432   40.933    398.249   40.712    55.453  2.7559  54.213  2.8133  1.239532       3.938228 
1 1 1 4   -27 10 o 69.894  2.0667  660.663   38.691    661.319   54.862    660.014   54.575    69.927  2.9291  69.861  2.9165  0.6609344E-01  4.133482 
1 1 1 4   -27 11 o 52.921  1.9766  380.114   27.825    420.174   39.331    339.978   39.369    55.791  2.6320  50.051  2.9497  5.740612       3.953239 
1 1 1 4   -27 12 o 34.858  2.0521  166.012   18.905    179.143   26.416    152.226   27.066    36.317  2.7358  33.399  3.0596  2.917953       4.104293 
1 1 1 4   -27 13 o 53.556  1.9495  388.552   27.865    388.813   38.984    388.279   39.843    53.582  2.7253  53.531  2.7885  0.5085373E-01  3.899078 
1 1 1 4   -27 14 o 69.234  2.0439  648.344   37.902    647.771   53.346    648.929   53.860    69.206  2.8778  69.262  2.9033  -0.5576324E-01 4.087882 
1 1 1 4   -27 15 o 17.784  2.8282  44.790    13.140    46.615    18.937    43.096    18.249    18.137  4.0051  17.432  3.9941  0.7051105      5.656300 
1 1 1 4   -27 16 o 73.361  2.0829  729.164   40.900    751.279   57.446    706.431   58.244    74.508  2.8785  72.214  3.0112  2.293526       4.165716 
1 1 1 4   -27 17 o 89.566  2.2636  1088.78   54.298    1064.91   76.390    1113.16   77.194    88.567  3.2202  90.566  3.1822  -1.998825      4.527246 
1 1 1 4   -27 18 o 80.185  2.1649  873.169   46.440    915.267   65.358    830.239   66.000    82.170  2.9696  78.201  3.1510  3.969078       4.329792 
1 1 1 4   -27 19 o 38.644  1.9821  204.292   20.261    223.096   28.265    184.418   29.057    40.531  2.6176  36.756  2.9770  3.774925       3.964136 
1 1 1 4   -27 20 o 51.559  1.9371  360.977   26.648    349.950   37.321    372.448   38.063    50.750  2.7559  52.369  2.7230  -1.619190      3.874191 
1 1 1 4   -27 21 o 89.638  2.2654  1094.27   54.383    1111.15   76.705    1077.21   77.116    90.349  3.1696  88.927  3.2376  1.421883       4.530828 
1 1 1 4   -27 22 o 33.157  2.0821  150.754   18.244    163.815   25.894    137.879   25.709    34.627  2.8162  31.688  3.0675  2.938992       4.164203 
1 1 1 4   -27 23 o 63.956  2.0260  556.202   34.696    571.305   49.073    541.105   49.063    64.838  2.8257  63.075  2.9041  1.762760       4.051929 
1 1 1 4   -27 24 o 67.410  2.0616  618.881   37.211    600.887   52.663    636.823   52.587    66.414  2.9604  68.406  2.8701  -1.991898      4.123278 
1 1 1 4   -27 25 o 9.2283  2.7397  2.4198    11.408    0.9434    17.181    3.5839    15.256    9.2846  3.9490  9.1719  3.7985  0.1127501      5.479366 
1 1 1 4   -27 26 o 23.739  2.5337  79.198    15.526    89.917    22.335    69.176    21.598    25.385  3.3680  22.092  3.7861  3.293222       5.067351 
1 1 1 4   -27 27 o 76.564  2.1718  803.049   44.532    805.530   63.575    800.659   62.398    76.666  3.0959  76.462  3.0468  0.2047043      4.343689 
1 1 1 4   -27 28 o 13.829  3.0238  25.825    13.590    8.0767    20.026    40.978    18.503    10.862  4.4087  16.795  4.1397  -5.932395      6.047629 
1 1 1 4   -27 29 o 24.806  2.6256  87.144    16.605    110.047   24.322    67.148    22.726    28.050  3.3004  21.562  4.0845  6.487469       5.251239 
1 1 1 4   -27 30 o 29.492  2.4673  121.478   18.770    152.512   27.869    95.715    25.392    33.071  3.1856  25.914  3.7687  7.156469       4.934655 
1 1 1 4   -27 31 o 50.616  2.1571  355.552   29.099    367.621   41.746    344.144   40.584    51.458  3.0423  49.773  3.0590  1.684929       4.314294 
1 1 1 4   -27 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -27 33 o 25.672  2.8292  96.507    18.797    102.037   26.643    91.026    26.524    26.486  3.8698  24.859  4.1283  1.626932       5.658426 
1 1 1 4   -27 34 o 30.799  2.5563  137.227   20.664    133.923   29.583    140.376   28.878    30.372  3.7138  31.226  3.5137  -0.8544102     5.112561 
1 1 1 4   -27 35 o 9.8105  2.9241  -4.3432   14.802    18.797    20.892    -27.6674  20.975    12.218  4.6354  7.4026  3.5656  4.815783       5.848113 
1 1 1 4   -27 36 o 26.925  3.0074  110.653   20.742    131.463   29.864    91.257    28.832    29.705  3.8437  24.145  4.6266  5.559839       6.014885 
1 1 1 4   -27 37 o 11.440  3.3010  10.066    16.652    25.804    24.418    -3.6176   22.768    13.334  5.0224  9.5466  4.2849  3.787025       6.601923 
1 1 1 4   -27 38 o 12.654  3.4471  22.666    16.551    25.201    22.780    19.831    24.087    12.992  4.8595  12.315  4.8904  0.6769419      6.894251 
1 1 1 4   -27 39 o 17.618  5.3064  55.035    27.101    55.035    27.101    0.0000    0.0000    17.618  5.3064  ?       ?       ?              ?        
1 1 1 4   -27 40 o 19.096  6.1224  72.033    35.461    72.033    35.461    0.0000    0.0000    19.096  6.1224  ?       ?       ?              ?        
1 1 1 4   -27 41 o 16.763  5.6221  53.633    29.759    0.0000    0.0000    53.633    29.759    ?       ?       16.763  5.6221  ?              ?        
1 1 1 4   -27 42 o 32.119  4.6688  175.930   38.990    0.0000    0.0000    175.930   38.990    ?       ?       32.119  4.6688  ?              ?        
1 1 1 4   -27 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -27 44 o 8.3032  2.7927  -21.1334  17.886    3.4667    24.496    -49.2237  26.176    9.6624  4.3807  6.9440  3.4648  2.718439       5.585317 
1 1 1 4   -26 0  o 40.657  1.9363  224.419   20.957    221.428   29.854    227.325   29.426    40.381  2.7771  40.933  2.6991  -0.5519600     3.872626 
1 1 1 4   -26 1  o 97.833  2.4184  1298.69   63.345    1352.06   90.344    1247.08   88.843    99.825  3.3789  95.841  3.4609  3.984299       4.836758 
1 1 1 4   -26 2  o 37.311  1.9515  189.167   19.317    204.628   27.434    173.962   27.205    38.852  2.6521  35.770  2.8635  3.081837       3.902946 
1 1 1 4   -26 3  o 64.472  2.0273  561.220   35.002    576.423   49.992    546.600   49.023    65.330  2.8569  63.614  2.8772  1.716282       4.054609 
1 1 1 4   -26 4  o 36.307  1.9422  178.720   18.695    196.623   26.870    161.922   26.028    38.095  2.6499  34.520  2.8402  3.574322       3.884407 
1 1 1 4   -26 5  o 81.156  2.1785  889.699   47.342    918.697   67.548    861.701   66.372    82.461  3.0582  79.852  3.1032  2.609230       4.356924 
1 1 1 4   -26 6  o 52.407  1.9512  371.259   27.277    388.576   38.919    354.541   38.241    53.618  2.7189  51.195  2.7994  2.422508       3.902393 
1 1 1 4   -26 7  o 94.463  2.3306  1206.17   58.941    1258.66   84.030    1155.33   82.695    96.497  3.2511  92.428  3.3403  4.069221       4.661260 
1 1 1 4   -26 8  o 144.476 3.0860  2841.21   119.415   2832.27   169.632   2850.00   168.134   144.236 4.3908  144.715 4.3376  -0.4790192     6.172038 
1 1 1 4   -26 9  o 50.603  1.9389  346.315   26.151    365.999   37.043    326.759   36.922    52.054  2.6658  49.152  2.8162  2.902138       3.877816 
1 1 1 4   -26 10 o 76.923  2.1372  798.970   43.972    851.195   62.401    747.459   61.973    79.439  2.9327  74.408  3.1095  5.030754       4.274356 
1 1 1 4   -26 11 o 71.079  2.0568  681.392   39.146    659.540   55.139    703.598   55.585    69.924  2.9440  72.234  2.8729  -2.310104      4.113509 
1 1 1 4   -26 12 o 64.307  1.9966  557.535   34.387    557.626   48.303    557.441   48.965    64.315  2.8040  64.299  2.8431  0.1660156E-01  3.993186 
1 1 1 4   -26 13 o 70.452  2.0425  669.823   38.522    690.308   54.218    648.941   54.742    71.551  2.8291  69.354  2.9469  2.196976       4.085040 
1 1 1 4   -26 14 o 75.035  2.0830  759.681   41.861    752.206   58.799    767.364   59.610    74.662  2.9402  75.409  2.9513  -0.7463760     4.165904 
1 1 1 4   -26 15 o 89.025  2.2407  1072.27   53.359    1129.65   75.177    1014.01   75.748    91.453  3.0690  86.597  3.2657  4.855980       4.481492 
1 1 1 4   -26 16 o 87.680  2.2292  1040.50   52.281    1093.55   73.547    986.322   74.332    89.967  3.0521  85.393  3.2499  4.574394       4.458341 
1 1 1 4   -26 17 o 46.107  1.9060  287.804   23.421    290.289   32.632    285.163   33.635    46.323  2.6410  45.892  2.7490  0.4313011      3.812010 
1 1 1 4   -26 18 o 38.877  1.9528  205.017   20.200    203.331   28.298    206.768   28.843    38.716  2.7466  39.038  2.7766  -0.3220673     3.905548 
1 1 1 4   -26 19 f 82.158  2.1471  913.582   47.236    931.312   66.529    895.557   67.079    82.974  2.9935  81.342  3.0788  1.631851       4.294199 
1 1 1 4   -26 20 o 53.749  1.9236  391.266   27.609    407.795   38.799    374.311   39.296    54.952  2.6361  52.546  2.8022  2.405090       3.847189 
1 1 1 4   -26 21 o 36.198  1.9562  178.428   18.754    196.717   26.713    160.651   26.337    38.066  2.6362  34.331  2.8910  3.734737       3.912464 
1 1 1 4   -26 22 f 9.4279  2.7101  3.2008    11.082    11.554    15.998    -4.5058   15.366    10.728  4.0595  8.1281  3.5916  2.599607       5.420265 
1 1 1 4   -26 23 o 36.814  1.9838  184.729   19.410    183.098   27.614    186.323   27.290    36.645  2.8354  36.982  2.7753  -0.3368034     3.967540 
1 1 1 4   -26 24 o 55.004  1.9444  410.707   28.567    434.246   40.758    387.977   40.052    56.605  2.6882  53.404  2.8099  3.200489       3.888726 
1 1 1 4   -26 25 o 35.240  2.0485  169.757   19.020    197.236   27.512    144.603   26.323    38.031  2.7188  32.450  3.0648  5.581703       4.096941 
1 1 1 4   -26 26 o 28.253  2.3264  111.992   16.939    91.910    24.360    130.793   23.571    25.631  3.6516  30.874  2.8836  -5.243860      4.652896 
1 1 1 4   -26 27 o 49.023  1.9795  327.565   25.855    349.579   37.392    307.395   35.790    50.614  2.7686  47.432  2.8300  3.181374       3.959069 
1 1 1 4   -26 28 o 39.575  2.0412  214.067   21.425    237.598   31.218    193.116   29.457    41.657  2.8143  37.493  2.9572  4.164124       4.082355 
1 1 1 4   -26 29 o 72.902  2.1826  728.643   42.606    726.296   60.920    730.890   59.610    72.765  3.1257  73.038  3.0471  -0.2727661     4.365167 
1 1 1 4   -26 30 o 40.951  2.1089  231.177   22.968    231.283   32.826    231.076   32.149    40.948  3.0141  40.955  2.9504  -0.6439209E-02 4.217842 
1 1 1 4   -26 31 f 27.320  2.5285  106.748   17.745    91.835    26.009    119.735   24.271    25.328  3.9637  29.312  3.1403  -3.983210      5.056914 
1 1 1 4   -26 32 o 17.622  2.8664  45.010    15.559    6.5464    21.967    83.727    22.039    10.957  4.5496  24.288  3.4880  -13.33077      5.732783 
1 1 1 4   -26 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -26 34 o 24.974  3.5312  100.469   21.876    75.730    36.014    114.935   27.538    21.708  5.9957  28.239  3.7323  -6.530800      7.062432 
1 1 1 4   -26 35 o 39.652  2.3296  223.303   24.513    228.383   35.120    218.479   34.229    40.090  3.2999  39.214  3.2893  0.8766556      4.659267 
1 1 1 4   -26 36 o 37.021  2.4511  197.673   24.004    198.658   34.630    196.761   33.304    37.062  3.5312  36.981  3.4003  0.8031464E-01  4.902167 
1 1 1 4   -26 37 f 14.277  3.5484  30.728    16.839    27.156    23.227    34.685    24.446    13.640  4.9400  14.914  5.0951  -1.273633      7.096720 
1 1 1 4   -26 38 f 10.240  3.0795  -1.1584   16.024    20.437    23.129    -21.0925  22.221    12.456  4.8380  8.0233  3.8114  4.433229       6.158953 
1 1 1 4   -26 39 o 15.048  3.7251  25.228    20.438    -2.1975   25.638    73.040    33.851    10.094  4.5377  20.002  5.9090  -9.907257      7.450261 
1 1 1 4   -26 40 f 24.490  5.0677  102.024   32.146    102.024   32.146    0.0000    0.0000    24.490  5.0677  ?       ?       ?              ?        
1 1 1 4   -26 41 o 16.210  5.9119  50.198    33.350    50.198    33.350    0.0000    0.0000    16.210  5.9119  ?       ?       ?              ?        
1 1 1 4   -26 42 o 14.734  5.6043  39.795    30.589    0.0000    0.0000    39.795    30.589    ?       ?       14.734  5.6043  ?              ?        
1 1 1 4   -26 43 o 10.815  4.8087  7.3367    27.968    0.0000    0.0000    7.3367    27.968    ?       ?       10.815  4.8087  ?              ?        
1 1 1 4   -26 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -26 45 o 10.793  3.3473  10.885    19.934    29.850    26.737    -12.8510  29.911    12.454  5.0789  9.1317  4.3614  3.321934       6.694575 
1 1 1 4   -25 0  o 58.305  1.9725  458.648   30.796    450.874   43.815    466.237   43.292    57.811  2.8296  58.800  2.7488  -0.9887276     3.944955 
1 1 1 4   -25 1  o 80.096  2.1757  865.971   46.672    882.086   66.448    850.280   65.569    80.833  3.0690  79.360  3.0847  1.473915       4.351367 
1 1 1 4   -25 2  o 113.730 2.6300  1751.38   80.109    1743.77   113.912   1758.82   112.681   113.477 3.7478  113.984 3.6908  -0.5077972     5.260003 
1 1 1 4   -25 3  o 71.532  2.0677  689.381   39.592    724.435   56.544    655.665   55.455    73.323  2.8791  69.742  2.9686  3.580452       4.135433 
1 1 1 4   -25 4  o 67.792  2.0245  618.883   36.755    633.631   52.381    604.578   51.587    68.589  2.8512  66.995  2.8748  1.594017       4.048964 
1 1 1 4   -25 5  o 119.541 2.7062  1932.19   86.640    1970.28   123.287   1895.03   121.782   120.709 3.8132  118.373 3.8410  2.335930       5.412352 
1 1 1 4   -25 6  o 89.363  2.2893  1076.46   54.782    1111.34   78.009    1042.52   76.947    90.796  3.2077  87.929  3.2672  2.866989       4.578581 
1 1 1 4   -25 7  o 79.896  2.1556  859.755   46.129    866.081   65.579    853.560   64.899    80.186  3.0533  79.606  3.0437  0.5803223      4.311288 
1 1 1 4   -25 8  o 147.099 3.1050  2931.49   122.331   2971.44   173.709   2892.17   172.303   148.098 4.3791  146.100 4.4030  1.997879       6.209932 
1 1 1 4   -25 9  o 83.418  2.1914  937.330   48.959    926.899   69.368    947.682   69.109    82.952  3.1221  83.884  3.0758  -0.9319458     4.382706 
1 1 1 4   -25 10 o 97.776  2.3651  1289.61   61.882    1225.54   87.514    1353.69   87.514    95.330  3.4274  100.223 3.2600  -4.893166      4.730190 
1 1 1 4   -25 11 o 65.280  2.4190  580.427   40.420    558.589   66.822    593.029   50.758    64.177  3.9059  66.383  2.8547  -2.206543      4.837941 
1 1 1 4   -25 12 o 42.607  2.4037  249.288   26.014    235.713   42.907    257.179   32.713    41.586  3.8975  43.628  2.8144  -2.042461      4.807449 
1 1 1 4   -25 13 o 118.996 3.1945  1910.53   97.161    1952.31   164.796   1888.27   120.292   119.773 5.1369  118.219 3.7989  1.553474       6.389001 
1 1 1 4   -25 14 o 37.735  2.4224  196.188   23.099    184.732   38.209    202.786   28.998    36.755  3.9427  38.715  2.8157  -1.959309      4.844871 
1 1 1 4   -25 15 o 91.754  2.2633  1135.04   55.619    1133.38   78.196    1136.75   79.128    91.689  3.1840  91.819  3.2174  -0.1298141     4.526570 
1 1 1 4   -25 16 o 47.239  1.9221  301.996   24.160    320.343   33.847    282.939   34.496    48.726  2.6029  45.752  2.8288  2.973820       3.844113 
1 1 1 4   -25 17 o 48.705  1.8976  320.127   24.652    313.164   34.338    327.533   35.413    48.159  2.6725  49.251  2.6947  -1.092575      3.795189 
1 1 1 4   -25 18 o 128.065 2.7737  2222.80   95.138    2242.60   134.152   2202.77   134.942   128.650 3.8931  127.480 3.9520  1.170219       5.547494 
1 1 1 4   -25 19 o 21.388  2.5036  64.175    13.662    77.290    19.286    50.963    19.357    23.730  3.1091  19.045  3.9250  4.684795       5.007226 
1 1 1 4   -25 20 o 33.556  2.0184  153.298   17.783    180.536   25.553    127.719   24.762    36.509  2.6308  30.603  3.0620  5.905603       4.036892 
1 1 1 4   -25 21 o 69.243  2.0150  647.273   37.371    643.881   52.834    650.670   52.866    69.060  2.8562  69.426  2.8430  -0.3657227     4.029955 
1 1 1 4   -25 22 o 54.688  1.9181  404.301   28.025    424.376   39.845    384.646   39.425    56.077  2.6528  53.299  2.7712  2.778008       3.836250 
1 1 1 4   -25 23 o 82.320  2.1556  917.900   47.505    953.861   67.339    882.271   67.027    83.941  2.9950  80.699  3.1009  3.242523       4.311152 
1 1 1 4   -25 24 o 36.362  2.0097  180.500   19.358    171.974   28.016    188.290   26.779    35.505  2.9733  37.219  2.7047  -1.713703      4.019453 
1 1 1 4   -25 25 o 55.229  1.9491  414.331   28.726    393.998   41.092    433.766   40.174    53.841  2.8596  56.617  2.6492  -2.776386      3.898144 
1 1 1 4   -25 26 o 46.040  1.9402  287.586   23.768    314.287   34.531    263.549   32.764    48.085  2.6919  43.994  2.7949  4.091068       3.880424 
1 1 1 4   -25 27 o 59.461  1.9912  479.880   31.699    496.472   45.619    464.389   44.079    60.453  2.8174  58.468  2.8147  1.985138       3.982432 
1 1 1 4   -25 28 o 11.764  2.9776  14.523    12.428    26.032    18.297    4.6674    16.932    13.772  4.3960  9.7559  4.0174  4.015927       5.955185 
1 1 1 4   -25 29 o 25.779  2.5542  95.470    16.511    69.140    23.662    120.458   23.050    21.983  4.1712  29.576  2.9491  -7.592474      5.108441 
1 1 1 4   -25 30 o 17.339  2.8911  42.906    14.208    69.554    20.568    18.584    19.650    22.200  3.5809  12.479  4.5400  9.720669       5.782198 
1 1 1 4   -25 31 o 48.648  2.0991  325.930   27.170    308.880   38.829    342.288   38.032    47.348  3.0784  49.948  2.8546  -2.600632      4.198267 
1 1 1 4   -25 32 o 41.675  2.1757  240.225   24.111    240.629   34.455    239.838   33.751    41.697  3.1073  41.654  3.0463  0.4307556E-01  4.351481 
1 1 1 4   -25 33 o 12.293  3.1691  15.536    14.323    30.324    21.057    2.8038    19.539    14.597  4.7218  9.9882  4.2281  4.608813       6.338143 
1 1 1 4   -25 34 o 14.594  3.4552  29.894    16.171    37.553    22.708    22.015    23.033    15.916  4.8712  13.272  4.9016  2.644052       6.910390 
1 1 1 4   -25 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -25 36 o 21.381  3.3147  70.012    18.467    74.605    26.247    65.508    25.988    22.151  4.5752  20.610  4.7975  1.541452       6.629391 
1 1 1 4   -25 37 o 50.162  2.3848  360.646   31.821    356.427   45.877    364.558   44.174    49.792  3.4615  50.533  3.2814  -0.7410088     4.769638 
1 1 1 4   -25 38 o 29.242  2.9104  129.331   21.973    146.903   31.276    112.205   30.877    31.478  3.7855  27.005  4.4217  4.472315       5.820794 
1 1 1 4   -25 39 o 19.807  3.4620  64.618    19.163    39.558    26.649    91.454    27.577    15.498  5.3192  24.116  4.4326  -8.617764      6.924061 
1 1 1 4   -25 40 o 19.084  5.1171  62.261    26.693    62.261    26.693    0.0000    0.0000    19.084  5.1171  ?       ?       ?              ?        
1 1 1 4   -25 41 o 13.250  5.2281  26.524    27.366    26.524    27.366    0.0000    0.0000    13.250  5.2281  ?       ?       ?              ?        
1 1 1 4   -25 42 o 20.907  6.3202  88.354    38.394    88.354    38.394    0.0000    0.0000    20.907  6.3202  ?       ?       ?              ?        
1 1 1 4   -25 43 o 11.586  5.0307  12.977    28.997    0.0000    0.0000    12.977    28.997    ?       ?       11.586  5.0307  ?              ?        
1 1 1 4   -25 44 o 16.097  7.1504  68.558    61.694    68.558    61.694    0.0000    0.0000    16.097  7.1504  ?       ?       ?              ?        
1 1 1 4   -25 45 o 11.012  3.4749  11.190    20.902    4.9455    29.025    17.917    30.126    10.417  4.7404  11.608  5.0822  -1.190719      6.949863 
1 1 1 4   -25 46 o 17.619  4.2713  77.395    24.302    77.236    34.118    77.560    34.624    17.652  6.0193  17.587  6.0616  0.6486702E-01  8.542537 
1 1 1 4   -24 0  f 111.024 2.5651  1664.67   76.240    1739.41   108.572   1591.96   107.084   113.497 3.5714  108.551 3.6830  4.945290       5.130253 
1 1 1 4   -24 1  o 138.090 2.9512  2580.47   109.149   2566.16   155.017   2594.55   153.711   137.700 4.2030  138.480 4.1441  -0.7796783     5.902424 
1 1 1 4   -24 2  o 85.906  2.2287  993.699   51.281    1002.74   72.938    984.862   72.112    86.291  3.1557  85.520  3.1481  0.7715836      4.457499 
1 1 1 4   -24 3  o 78.868  2.1552  836.901   45.521    857.029   64.830    817.327   63.932    79.805  3.0329  77.931  3.0628  1.874100       4.310341 
1 1 1 4   -24 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -24 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -24 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -24 7  o 109.412 2.5067  1612.19   73.424    1678.26   104.300   1547.28   103.381   111.644 3.4879  107.180 3.6011  4.464027       5.013319 
1 1 1 4   -24 8  o 74.858  2.0974  753.864   42.011    714.628   59.429    793.055   59.396    72.902  3.0435  76.814  2.8869  -3.911606      4.194860 
1 1 1 4   -24 9  o 96.713  2.3400  1258.56   60.615    1270.51   85.769    1246.63   85.675    97.174  3.2953  96.252  3.3232  0.9213867      4.679996 
1 1 1 4   -24 10 o 65.481  2.0094  576.147   35.241    568.657   49.491    583.851   50.194    65.050  2.8405  65.913  2.8431  -0.8630753     4.018893 
1 1 1 4   -24 11 o 84.054  2.1853  949.979   49.194    930.073   69.190    970.329   69.957    83.162  3.1062  84.947  3.0747  -1.784225      4.370582 
1 1 1 4   -24 12 o 99.082  2.3632  1321.52   62.701    1348.42   88.371    1294.25   88.978    100.104 3.2959  98.060  3.3877  2.044533       4.726444 
1 1 1 4   -24 13 o 49.627  1.9279  331.799   25.523    324.841   35.672    339.096   36.534    49.093  2.7235  50.161  2.7294  -1.068119      3.855785 
1 1 1 4   -24 14 o 109.365 2.4763  1611.88   72.493    1668.69   102.122   1554.19   102.923   111.322 3.4249  107.408 3.5776  3.913574       4.952687 
1 1 1 4   -24 15 o 62.912  1.9657  531.679   33.111    513.799   46.174    550.607   47.507    61.823  2.7884  64.001  2.7713  -2.177670      3.931312 
1 1 1 4   -24 16 o 89.542  2.2266  1079.79   53.370    1112.90   75.067    1045.95   75.893    90.940  3.0818  88.143  3.2146  2.796318       4.453215 
1 1 1 4   -24 17 o 59.721  2.3595  497.108   35.470    535.322   44.505    430.571   58.726    63.106  2.6330  56.337  3.9161  6.769253       4.718987 
1 1 1 4   -24 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -24 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -24 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -24 21 f 76.830  2.0791  795.659   42.781    809.804   60.586    781.592   60.418    77.515  2.9181  76.146  2.9623  1.369545       4.158194 
1 1 1 4   -24 22 o 86.852  2.2004  1018.50   51.155    1065.36   72.607    972.310   72.085    88.849  3.0509  84.855  3.1716  3.994736       4.400822 
1 1 1 4   -24 23 o 64.888  1.9793  567.847   34.396    581.403   49.005    554.684   48.290    65.653  2.7867  64.123  2.8116  1.530403       3.958668 
1 1 1 4   -24 24 o 85.594  2.1884  990.635   50.152    1029.34   71.590    953.335   70.281    87.244  3.0636  83.945  3.1258  3.299309       4.376725 
1 1 1 4   -24 25 o 14.759  3.0099  30.463    12.535    30.452    18.409    30.472    17.115    14.785  4.3546  14.734  4.1564  0.5169106E-01  6.019811 
1 1 1 4   -24 26 o 23.476  2.5337  78.858    14.931    57.803    21.613    98.080    20.651    20.196  4.1346  26.755  2.9296  -6.558756      5.067313 
1 1 1 4   -24 27 o 10.255  2.8121  7.6059    11.714    -3.8803   17.508    16.915    15.762    8.8044  3.8641  11.705  4.0867  -2.900199      5.624270 
1 1 1 4   -24 28 o 30.692  2.1691  128.791   17.543    142.003   25.757    117.358   23.960    32.178  3.0238  29.207  3.1107  2.971893       4.338204 
1 1 1 4   -24 29 o 15.982  2.9928  36.095    13.280    47.521    19.324    25.868    18.282    18.215  4.0640  13.749  4.3946  4.465998       5.985699 
1 1 1 4   -24 30 o 25.903  2.4525  93.763    16.532    91.454    24.151    95.800    22.679    25.549  3.6314  26.257  3.2974  -0.7084484     4.905094 
1 1 1 4   -24 31 o 10.918  2.9830  8.3897    13.114    -3.3859   18.193    21.127    18.921    8.9892  3.9422  12.847  4.4779  -3.857935      5.965975 
1 1 1 4   -24 32 o 10.778  2.9808  7.9424    13.178    -3.6160   18.589    19.620    18.685    9.0457  3.9755  12.511  4.4424  -3.465322      5.961545 
1 1 1 4   -24 33 o 36.319  2.2688  182.912   21.819    194.772   31.424    171.870   30.320    37.481  3.1596  35.156  3.2569  2.325039       4.537642 
1 1 1 4   -24 34 o 27.247  2.8239  107.975   19.212    144.042   27.590    74.021    26.769    32.099  3.2540  22.395  4.6162  9.703695       5.647789 
1 1 1 4   -24 35 o 8.5624  2.7272  -14.6542  13.897    -31.2512  18.976    4.5434    20.409    6.7700  3.2921  10.355  4.3488  -3.584789      5.454361 
1 1 1 4   -24 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -24 37 o 24.833  3.1886  93.620    20.332    82.843    29.290    103.643   28.246    23.190  4.8704  26.477  4.1166  -3.286478      6.377115 
1 1 1 4   -24 38 o 37.798  2.5845  207.786   25.837    209.059   36.792    206.548   36.291    37.900  3.6703  37.695  3.6397  0.2051659      5.168997 
1 1 1 4   -24 39 o 11.427  2.9582  4.8833    15.681    37.489    20.904    -37.0763  23.713    15.397  4.6654  7.4578  3.6384  7.939181       5.916439 
1 1 1 4   -24 40 o 20.854  3.1286  73.288    20.341    133.042   28.378    10.146    29.171    29.836  3.6254  11.872  5.0998  17.96456       6.257120 
1 1 1 4   -24 41 o 21.133  5.4076  78.196    30.735    78.196    30.735    0.0000    0.0000    21.133  5.4076  ?       ?       ?              ?        
1 1 1 4   -24 42 o 9.1214  4.2510  -12.1198  25.395    -12.1198  25.395    0.0000    0.0000    9.1214  4.2510  ?       ?       ?              ?        
1 1 1 4   -24 43 o 18.292  7.5860  86.129    60.964    0.0000    0.0000    86.129    60.964    ?       ?       18.292  7.5860  ?              ?        
1 1 1 4   -24 44 f 19.335  5.9656  75.626    33.981    0.0000    0.0000    75.626    33.981    ?       ?       19.335  5.9656  ?              ?        
1 1 1 4   -24 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -24 46 o 18.214  4.1615  75.415    23.640    89.455    33.589    61.633    33.278    20.201  5.8629  16.228  5.9075  3.973030       8.323020 
1 1 1 4   -23 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -23 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -23 2  o 145.160 3.0658  2843.04   119.196   2835.07   169.281   2850.87   167.865   144.953 4.3601  145.368 4.3112  -0.4152374     6.131639 
1 1 1 4   -23 3  o 69.092  2.0299  641.191   37.561    655.486   53.437    627.231   52.807    69.854  2.8560  68.330  2.8853  1.524307       4.059777 
1 1 1 4   -23 4  o 61.889  1.9551  514.330   32.409    519.300   46.001    509.431   45.667    62.186  2.7618  61.592  2.7681  0.5940781      3.910212 
1 1 1 4   -23 5  o 87.159  2.2312  1020.97   52.080    1005.14   73.913    1036.58   73.393    86.485  3.1908  87.833  3.1197  -1.348595      4.462418 
1 1 1 4   -23 6  o 121.105 2.6794  1973.24   86.906    2011.53   123.440   1935.61   122.374   122.273 3.7691  119.937 3.8093  2.335487       5.358820 
1 1 1 4   -23 7  o 137.721 2.9373  2554.06   108.353   2565.13   153.684   2543.11   152.788   138.018 4.1572  137.425 4.1508  0.5924377      5.874685 
1 1 1 4   -23 8  o 41.184  1.9272  228.870   21.120    235.731   29.573    221.729   30.173    41.825  2.6536  40.544  2.7955  1.280540       3.854389 
1 1 1 4   -23 9  o 36.699  1.9905  181.682   19.364    164.626   26.916    199.981   27.879    34.895  2.9062  38.503  2.7208  -3.607639      3.981055 
1 1 1 4   -23 10 o 59.171  1.9501  470.283   30.882    478.059   43.029    462.024   44.347    59.679  2.6919  58.663  2.8224  1.015987       3.900239 
1 1 1 4   -23 11 o 111.440 2.5241  1669.88   75.335    1639.29   106.275   1700.77   106.807   110.411 3.5936  112.469 3.5455  -2.057663      5.048197 
1 1 1 4   -23 12 o 121.005 2.6392  1969.68   85.530    1931.45   120.577   2008.40   121.340   119.820 3.7571  122.191 3.7075  -2.370911      5.278343 
1 1 1 4   -23 13 o 229.696 4.4513  7158.45   273.857   7180.45   387.031   7136.39   387.554   230.056 6.2809  229.336 6.3092  0.7201385      8.902547 
1 1 1 4   -23 14 o 119.494 2.6213  1921.54   83.886    1945.74   118.165   1896.95   119.105   120.258 3.6685  118.729 3.7453  1.528976       5.242604 
1 1 1 4   -23 15 o 132.915 2.8173  2379.30   100.293   2347.24   141.361   2411.81   142.314   132.010 3.9979  133.819 3.9705  -1.808655      5.634532 
1 1 1 4   -23 16 o 25.980  2.3775  93.168    15.759    71.171    22.037    116.193   22.546    22.696  3.7564  29.264  2.9152  -6.568403      4.754910 
1 1 1 4   -23 17 o 115.716 2.5609  1802.82   79.373    1805.44   111.913   1800.18   112.590   115.803 3.6081  115.630 3.6353  0.1733932      5.121872 
1 1 1 4   -23 18 o 16.634  2.9656  38.716    13.211    41.251    19.058    36.371    18.330    17.147  4.1861  16.122  4.2019  1.024487       5.931266 
1 1 1 4   -23 19 o 109.755 2.4607  1622.55   72.336    1630.88   102.149   1614.18   102.449   110.040 3.4657  109.470 3.4940  0.5697861      4.921320 
1 1 1 4   -23 20 o 129.214 2.7726  2253.91   95.952    2285.66   135.706   2222.17   135.688   130.131 3.8934  128.297 3.9485  1.834381       5.545243 
1 1 1 4   -23 21 o 62.757  1.9796  530.070   33.234    563.070   47.174    497.552   46.828    64.705  2.7219  60.809  2.8751  3.895626       3.959164 
1 1 1 4   -23 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -23 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -23 24 o 41.585  1.9425  233.339   21.472    254.320   31.227    214.521   29.573    43.367  2.7017  39.802  2.7917  3.565544       3.884905 
1 1 1 4   -23 25 o 108.638 2.5277  1599.10   73.547    1607.80   104.773   1590.65   103.265   108.923 3.5912  108.353 3.5582  0.5706024      5.055404 
1 1 1 4   -23 26 o 69.683  2.0458  655.413   38.161    686.069   54.905    626.765   53.077    71.262  2.8765  68.105  2.9096  3.156395       4.091511 
1 1 1 4   -23 27 o 42.862  1.9781  248.615   22.536    272.255   32.850    227.599   30.973    44.798  2.7510  40.926  2.8431  3.871853       3.956205 
1 1 1 4   -23 28 o 48.380  2.0065  318.484   25.849    307.363   37.106    328.970   36.030    47.533  2.9287  49.227  2.7435  -1.694168      4.012987 
1 1 1 4   -23 29 o 41.817  2.0473  238.452   22.769    238.289   32.885    238.602   31.557    41.787  2.9572  41.847  2.8321  -0.5965042E-01 4.094595 
1 1 1 4   -23 30 o 19.142  2.8843  52.403    14.324    51.275    20.717    53.437    19.828    18.914  4.1990  19.370  3.9555  -0.4560127     5.768646 
1 1 1 4   -23 31 o 36.958  2.1350  188.679   20.793    168.066   29.898    207.986   28.936    34.913  3.2340  39.004  2.7882  -4.090767      4.269936 
1 1 1 4   -23 32 o 22.203  2.8943  70.581    16.421    93.771    23.942    49.982    22.564    25.874  3.5480  18.531  4.5738  7.343100       5.788583 
1 1 1 4   -23 33 o 33.824  2.4191  160.944   21.221    131.181   30.247    189.800   29.782    30.544  3.7776  37.104  3.0230  -6.560146      4.838260 
1 1 1 4   -23 34 o 14.063  3.2168  25.544    14.961    42.082    21.168    9.0375    21.148    16.933  4.5638  11.193  4.5347  5.740515       6.433675 
1 1 1 4   -23 35 o 11.811  3.1911  14.248    14.320    7.2953    20.279    21.163    20.224    10.740  4.4066  12.882  4.6167  -2.141564      6.382167 
1 1 1 4   -23 36 o 36.272  2.4646  185.763   23.646    183.645   33.568    187.848   33.314    36.045  3.5219  36.498  3.4486  -0.4522552     4.929163 
1 1 1 4   -23 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -23 38 o 15.496  3.6009  36.285    17.290    39.904    25.155    33.045    23.803    16.095  5.1561  14.896  5.0279  1.198733       7.201778 
1 1 1 4   -23 39 o 12.417  3.4380  18.087    16.688    21.409    23.332    14.608    23.880    12.859  4.8937  11.975  4.8303  0.8841619      6.876076 
1 1 1 4   -23 40 o 30.202  2.9500  138.928   23.131    152.179   32.965    126.077   32.465    31.816  3.9536  28.588  4.3793  3.227713       5.899971 
1 1 1 4   -23 41 o 19.012  3.8505  62.311    20.681    53.974    28.281    71.893    30.320    17.642  5.4422  20.383  5.4487  -2.741611      7.701017 
1 1 1 4   -23 42 o 10.852  4.7080  7.0315    25.352    7.0315    25.352    0.0000    0.0000    10.852  4.7080  ?       ?       ?              ?        
1 1 1 4   -23 43 o 19.658  6.2457  77.224    36.969    77.224    36.969    0.0000    0.0000    19.658  6.2457  ?       ?       ?              ?        
1 1 1 4   -23 44 o 28.484  5.2807  143.730   38.805    0.0000    0.0000    143.730   38.805    ?       ?       28.484  5.2807  ?              ?        
1 1 1 4   -23 45 o 12.585  4.0558  15.707    27.086    12.238    57.552    16.694    30.698    13.246  6.2447  11.925  5.1770  1.321036       8.111562 
1 1 1 4   -23 46 o 9.5631  4.4337  -3.9386   27.070    0.0000    0.0000    -3.9386   27.070    ?       ?       9.5631  4.4337  ?              ?        
1 1 1 4   -23 47 f 12.358  3.5804  23.954    21.380    53.900    29.754    -8.0172   30.743    15.273  5.5819  9.4442  4.4854  5.828381       7.160789 
1 1 1 4   -22 0  o 40.772  1.9014  224.116   20.648    222.900   29.180    225.336   29.222    40.660  2.6946  40.884  2.6834  -0.2238503     3.802832 
1 1 1 4   -22 1  o 75.423  2.0794  763.630   41.995    790.614   59.870    737.495   58.921    76.736  2.9129  74.109  2.9683  2.626266       4.158789 
1 1 1 4   -22 2  o 219.026 4.2671  6491.00   250.301   6627.00   354.910   6356.42   353.056   221.326 5.9868  216.725 6.0820  4.600449       8.534192 
1 1 1 4   -22 3  o 47.229  1.9219  300.322   24.207    295.279   34.217    305.375   34.250    46.828  2.7399  47.629  2.6958  -0.8006630     3.843749 
1 1 1 4   -22 4  o 133.358 2.8644  2391.80   102.311   2417.42   145.277   2366.59   144.109   134.067 4.0456  132.648 4.0560  1.418320       5.728738 
1 1 1 4   -22 5  f 107.735 2.4833  1559.43   71.655    1546.92   101.674   1571.77   101.001   107.304 3.5376  108.167 3.4861  -0.8633194     4.966633 
1 1 1 4   -22 6  o 71.795  2.0426  691.758   39.280    692.918   55.615    690.603   55.487    71.855  2.8897  71.735  2.8878  0.1200333      4.085282 
1 1 1 4   -22 7  o 95.325  2.3015  1220.15   58.761    1237.18   83.246    1203.23   82.957    95.990  3.2378  94.661  3.2718  1.328773       4.603077 
1 1 1 4   -22 8  o 133.792 2.8457  2407.06   101.958   2467.38   144.421   2347.13   143.962   135.469 3.9801  132.115 4.0682  3.354050       5.691404 
1 1 1 4   -22 9  o 87.910  2.1979  1037.55   51.749    1046.37   72.900    1028.58   73.472    88.288  3.0827  87.531  3.1338  0.7569351      4.395895 
1 1 1 4   -22 10 o 74.695  2.0336  749.172   40.664    769.499   57.120    728.285   57.902    75.726  2.8162  73.664  2.9346  2.062088       4.067261 
1 1 1 4   -22 11 o 47.862  1.9027  307.906   24.197    272.393   33.534    346.481   34.950    44.968  2.7980  50.756  2.5793  -5.787804      3.805483 
1 1 1 4   -22 12 f 35.153  1.9687  166.674   18.374    161.391   25.463    172.412   26.539    34.569  2.7733  35.736  2.7949  -1.166122      3.937399 
1 1 1 4   -22 13 o 109.764 2.4582  1618.62   72.269    1610.82   101.694   1626.59   102.720   109.498 3.4674  110.031 3.4854  -0.5328674     4.916378 
1 1 1 4   -22 14 o 76.929  2.0464  794.149   42.158    774.141   59.088    814.894   60.168    75.942  2.9049  77.916  2.8830  -1.974564      4.092710 
1 1 1 4   -22 15 o 108.552 2.4694  1583.61   71.794    1591.14   101.173   1575.98   101.896   108.814 3.4713  108.290 3.5130  0.5241089      4.938730 
1 1 1 4   -22 16 o 65.024  1.9271  567.807   33.545    581.435   47.059    553.729   47.830    65.821  2.6693  64.228  2.7803  1.593117       3.854227 
1 1 1 4   -22 17 o 16.227  2.7102  36.406    12.974    9.7517    18.310    63.283    18.386    11.000  4.2956  21.453  3.3059  -10.45354      5.420431 
1 1 1 4   -22 18 o 137.082 2.9030  2530.80   106.586   2495.90   150.412   2566.01   151.061   136.129 4.1252  138.035 4.0858  -1.906235      5.806093 
1 1 1 4   -22 19 o 98.877  2.3115  1314.50   61.208    1340.43   86.584    1288.60   86.538    99.855  3.2373  97.898  3.3002  1.957016       4.622920 
1 1 1 4   -22 20 o 203.387 4.0049  5610.72   218.164   5677.83   308.666   5543.73   308.396   204.617 5.6319  202.158 5.6955  2.459320       8.009822 
1 1 1 4   -22 21 o 88.906  2.1753  1063.03   51.781    1102.80   73.542    1023.94   72.921    90.560  3.0319  87.252  3.1202  3.308289       4.350641 
1 1 1 4   -22 22 o 157.896 3.2437  3374.14   137.162   3316.93   194.381   3430.89   193.575   156.546 4.6358  159.247 4.5383  -2.701340      6.487410 
1 1 1 4   -22 23 o 72.415  2.0611  705.041   39.960    732.367   57.397    679.338   55.667    73.777  2.9046  71.053  2.9250  2.723549       4.122128 
1 1 1 4   -22 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -22 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -22 26 f 14.350  3.1772  27.706    13.437    28.201    20.909    27.358    17.539    14.569  4.7043  14.130  4.2717  0.4385548      6.354388 
1 1 1 4   -22 27 o 40.796  1.9872  225.585   21.544    226.903   31.444    224.419   29.579    40.895  2.8892  40.698  2.7292  0.1972427      3.974474 
1 1 1 4   -22 28 o 88.970  2.2906  1073.18   54.569    1061.41   77.921    1084.51   76.445    88.475  3.2881  89.465  3.1901  -0.9901047     4.581285 
1 1 1 4   -22 29 o 53.033  2.0121  382.580   28.416    356.533   40.840    407.025   39.564    51.204  2.9908  54.861  2.6925  -3.657284      4.024189 
1 1 1 4   -22 30 o 24.247  2.5766  81.941    16.000    100.390   23.308    65.499    22.004    26.960  3.2965  21.534  3.9608  5.425545       5.153143 
1 1 1 4   -22 31 o 10.428  2.7853  4.7832    12.290    -14.2494  17.499    23.315    17.267    7.7016  3.5686  13.155  4.2774  -5.453296      5.570528 
1 1 1 4   -22 32 o 26.259  2.6565  99.091    17.485    71.217    24.966    125.924   24.495    22.290  4.3377  30.229  3.0678  -7.938152      5.312912 
1 1 1 4   -22 33 o 20.438  3.0403  60.204    16.110    62.506    23.210    58.064    22.378    20.821  4.3040  20.055  4.2954  0.7665253      6.080679 
1 1 1 4   -22 34 o 19.955  3.0699  58.853    16.372    84.988    23.283    33.294    23.025    24.537  3.6541  15.372  4.9339  9.164812       6.139704 
1 1 1 4   -22 35 o 18.586  3.3210  51.123    16.716    61.194    23.618    41.013    23.663    20.446  4.4398  16.725  4.9401  3.720627       6.642077 
1 1 1 4   -22 36 o 13.665  3.3836  23.824    15.653    14.636    21.703    33.785    22.597    12.030  4.6826  15.300  4.8854  -3.270179      6.767104 
1 1 1 4   -22 37 o 20.258  5.1240  62.755    27.823    62.755    27.823    0.0000    0.0000    20.258  5.1240  ?       ?       ?              ?        
1 1 1 4   -22 38 o 24.937  3.2712  93.734    21.007    104.058   29.812    83.553    29.605    26.485  4.3538  23.389  4.8833  3.095665       6.542350 
1 1 1 4   -22 39 o 47.080  2.5451  321.448   31.371    265.353   44.470    377.023   44.263    42.617  3.9403  51.542  3.2223  -8.924850      5.090158 
1 1 1 4   -22 40 o 28.441  3.1613  125.048   22.750    155.480   32.324    95.178    32.025    32.453  3.7900  24.429  5.0607  8.024025       6.322571 
1 1 1 4   -22 41 o 9.0163  2.9100  -8.8319   15.821    -0.7031   20.569    -20.6085  24.758    9.4222  4.1597  8.6105  4.0704  0.8116617      5.819939 
1 1 1 4   -22 42 o 14.363  5.0960  33.610    24.582    33.610    24.582    0.0000    0.0000    14.363  5.0960  ?       ?       ?              ?        
1 1 1 4   -22 43 o 15.235  5.7178  41.052    31.591    41.052    31.591    0.0000    0.0000    15.235  5.7178  ?       ?       ?              ?        
1 1 1 4   -22 44 o 18.022  4.8033  73.066    32.135    78.246    36.952    56.993    65.094    19.683  6.2434  16.361  7.3012  3.322266       9.606637 
1 1 1 4   -22 45 o 11.268  4.9390  10.399    28.525    0.0000    0.0000    10.399    28.525    ?       ?       11.268  4.9390  ?              ?        
1 1 1 4   -22 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -22 47 o 7.9991  2.7408  -24.4151  18.270    -16.8882  25.140    -32.8381  26.595    8.2992  3.9732  7.6990  3.7764  0.6001964      5.481592 
1 1 1 4   -21 0  o 37.601  1.8783  190.512   18.784    199.744   26.884    181.706   26.257    38.498  2.6228  36.704  2.6895  1.794094       3.756634 
1 1 1 4   -21 1  o 161.997 3.3173  3532.46   143.937   3550.81   204.279   3514.36   202.843   162.414 4.6958  161.580 4.6869  0.8342285      6.634577 
1 1 1 4   -21 2  o 214.683 4.2280  6222.12   243.119   6209.50   344.542   6234.63   343.107   214.461 5.9980  214.906 5.9606  -0.4442596     8.456058 
1 1 1 4   -21 3  o 162.930 3.3113  3572.15   144.495   3632.35   205.075   3512.80   203.626   164.297 4.6601  161.563 4.7055  2.733841       6.622506 
1 1 1 4   -21 4  o 46.189  1.8760  287.114   23.108    292.674   32.716    281.579   32.644    46.639  2.6296  45.740  2.6762  0.8992195      3.751934 
1 1 1 4   -21 5  o 113.072 2.5555  1717.48   77.376    1676.88   109.679   1757.70   109.175   111.737 3.6647  114.407 3.5627  -2.670135      5.111078 
1 1 1 4   -21 6  o 121.502 2.6706  1983.15   86.894    2035.93   123.289   1931.06   122.488   123.112 3.7388  119.892 3.8143  3.219986       5.341117 
1 1 1 4   -21 7  o 226.426 4.3730  6922.68   265.211   6928.63   375.420   6916.75   374.711   226.523 6.1875  226.330 6.1811  0.1923676      8.745923 
1 1 1 4   -21 8  o 159.783 3.2767  3436.18   140.150   3579.29   198.446   3293.77   197.958   163.118 4.5421  156.448 4.7240  6.669556       6.553383 
1 1 1 4   -21 9  o 92.034  2.2192  1136.89   54.702    1145.83   77.107    1127.83   77.617    92.400  3.1156  91.668  3.1612  0.7313843      4.438437 
1 1 1 4   -21 10 o 150.720 3.0884  3055.18   124.666   2999.01   175.965   3111.78   176.647   149.325 4.3995  152.116 4.3355  -2.790878      6.176776 
1 1 1 4   -21 11 o 178.119 3.5102  4272.44   167.465   4284.88   236.488   4259.91   237.177   178.382 4.9496  177.856 4.9787  0.5263367      7.020394 
1 1 1 4   -21 12 o 229.698 4.4524  7129.85   273.929   7094.62   386.982   7165.22   387.807   229.127 6.3056  230.270 6.2877  -1.143173      8.904781 
1 1 1 4   -21 13 o 98.670  2.2835  1306.88   60.346    1293.00   84.775    1321.13   85.920    98.140  3.2250  99.201  3.2336  -1.061188      4.566971 
1 1 1 4   -21 14 o 219.852 4.2444  6528.74   249.936   6549.72   353.156   6507.69   353.772   220.210 5.9874  219.493 6.0175  0.7170563      8.488755 
1 1 1 4   -21 15 o 95.472  2.2730  1223.72   58.125    1213.24   81.838    1234.39   82.567    95.059  3.2142  95.885  3.2149  -0.8251266     4.546074 
1 1 1 4   -21 16 o 40.665  1.9050  223.023   20.615    230.216   28.918    215.591   29.396    41.342  2.6251  39.989  2.7614  1.352913       3.810096 
1 1 1 4   -21 17 o 131.206 2.7703  2314.91   97.357    2323.16   137.460   2306.61   137.909   131.443 3.9044  130.970 3.9312  0.4726715      5.540648 
1 1 1 4   -21 18 o 17.070  2.8785  40.793    12.981    38.883    18.422    42.678    18.295    16.673  4.1433  17.467  3.9971  -0.7935448     5.757001 
1 1 1 4   -21 19 o 183.512 3.6515  4545.67   179.485   4534.40   253.859   4556.92   253.801   183.282 5.1711  183.741 5.1570  -0.4584656     7.303081 
1 1 1 4   -21 20 o 68.068  1.9884  622.064   36.248    622.667   51.634    621.478   50.899    68.100  2.8307  68.037  2.7930  0.6273651E-01  3.976709 
1 1 1 4   -21 21 o 109.301 2.4651  1606.85   72.161    1596.70   102.587   1616.79   101.524   108.955 3.5152  109.646 3.4569  -0.6907883     4.930206 
1 1 1 4   -21 22 o 57.655  1.9412  446.384   29.965    449.868   43.076    443.119   41.710    57.871  2.7790  57.440  2.7111  0.4316025      3.882342 
1 1 1 4   -21 23 o 13.027  3.0928  20.955    13.183    11.527    19.416    29.020    17.958    11.497  4.4418  14.556  4.3049  -3.058720      6.185565 
1 1 1 4   -21 24 o 59.223  1.9871  471.719   31.487    468.612   45.499    474.575   43.620    59.030  2.8777  59.416  2.7409  -0.3859291     3.974130 
1 1 1 4   -21 25 o 106.696 2.4839  1535.03   70.975    1565.76   101.450   1505.57   99.332    107.741 3.5155  105.651 3.5101  2.089897       4.967845 
1 1 1 4   -21 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -21 27 o 29.812  2.6099  115.439   19.734    149.967   33.498    97.088    24.422    33.054  3.8562  26.571  3.5180  6.482924       5.219814 
1 1 1 4   -21 28 o 102.395 2.4578  1420.20   67.393    1410.08   96.102    1430.00   94.535    102.022 3.5168  102.768 3.4344  -0.7454224     4.915560 
1 1 1 4   -21 29 o 32.650  2.1997  145.216   18.904    165.341   27.445    127.050   26.075    34.843  2.9691  30.456  3.2465  4.387426       4.399444 
1 1 1 4   -21 30 o 32.266  2.2515  142.122   19.055    166.080   27.816    120.939   26.155    34.882  3.0065  29.650  3.3522  5.231897       4.502931 
1 1 1 4   -21 31 o 80.411  2.2631  879.802   48.736    877.535   69.441    882.003   68.417    80.297  3.2287  80.524  3.1721  -0.2264938     4.526234 
1 1 1 4   -21 32 o 37.856  2.1846  196.439   21.949    197.426   31.521    195.509   30.583    37.938  3.1299  37.775  3.0486  0.1628532      4.369237 
1 1 1 4   -21 33 o 52.181  2.1195  372.064   29.477    385.822   42.686    359.523   40.754    53.098  3.0138  51.263  2.9810  1.835480       4.238996 
1 1 1 4   -21 34 o 11.473  3.1170  12.881    13.583    16.881    18.669    8.3830    19.798    12.048  4.4188  10.897  4.3973  1.150504       6.233908 
1 1 1 4   -21 35 o 33.377  2.4633  156.365   21.229    192.536   30.440    122.113   29.621    37.342  3.0705  29.411  3.8528  7.931343       4.926676 
1 1 1 4   -21 36 o 20.702  3.2620  63.121    17.623    61.549    24.615    64.774    25.242    20.434  4.6073  20.969  4.6190  -0.5345993     6.523932 
1 1 1 4   -21 37 o 42.703  2.3644  255.222   26.739    279.937   38.141    231.332   37.498    44.825  3.1977  40.581  3.4836  4.244488       4.728743 
1 1 1 4   -21 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -21 39 o 14.550  3.4569  29.727    16.530    17.293    23.036    42.928    23.735    12.402  4.8251  16.698  4.9516  -4.295674      6.913742 
1 1 1 4   -21 40 o 12.465  3.4269  16.013    17.188    2.2949    24.191    29.996    24.424    10.611  4.6012  14.318  5.0796  -3.706949      6.853736 
1 1 1 4   -21 41 o 15.747  3.7202  39.868    18.436    40.674    25.921    39.043    26.228    15.881  5.2446  15.614  5.2778  0.2667818      7.440496 
1 1 1 4   -21 42 o 17.208  3.7558  49.390    20.022    30.632    27.747    69.770    28.922    14.141  5.3474  20.275  5.2753  -6.134181      7.511526 
1 1 1 4   -21 43 o 10.758  4.6810  6.1088    25.211    6.1088    25.211    0.0000    0.0000    10.758  4.6810  ?       ?       ?              ?        
1 1 1 4   -21 44 o 14.976  5.7960  39.841    33.104    39.841    33.104    0.0000    0.0000    14.976  5.7960  ?       ?       ?              ?        
1 1 1 4   -21 45 o 20.238  6.0402  81.177    35.233    0.0000    0.0000    81.177    35.233    ?       ?       20.238  6.0402  ?              ?        
1 1 1 4   -21 46 o 17.813  4.7338  80.760    34.105    42.659    68.261    93.436    39.372    14.902  6.9530  20.725  6.4259  -5.823204      9.467667 
1 1 1 4   -21 47 o 10.243  2.9047  13.555    13.431    -17.3645  27.473    23.266    15.397    8.7289  4.1721  11.757  4.0427  -3.028047      5.809441 
1 1 1 4   -21 48 o 12.784  3.4585  31.244    15.523    39.210    28.858    28.001    18.413    13.341  5.3350  12.227  4.4027  1.114190       6.917083 
1 1 1 4   -20 0  o 148.586 3.1081  2968.31   123.678   3042.57   175.597   2895.22   174.227   150.435 4.3579  146.737 4.4329  3.697830       6.216251 
1 1 1 4   -20 1  o 211.209 4.1161  6015.26   232.850   5978.03   329.995   6052.18   328.609   210.550 5.8514  211.867 5.7906  -1.316803      8.232299 
1 1 1 4   -20 2  o 180.154 3.6204  4369.53   174.695   4349.68   247.733   4389.17   246.384   179.743 5.1457  180.566 5.0943  -0.8234100     7.240869 
1 1 1 4   -20 3  o 148.574 3.1132  2967.84   123.886   2954.34   175.771   2981.17   174.636   148.235 4.4270  148.913 4.3784  -0.6778412     6.226425 
1 1 1 4   -20 4  o 254.199 4.8723  8736.40   331.693   8917.86   469.932   8556.24   468.241   256.850 6.8307  251.548 6.9496  5.302322       9.744525 
1 1 1 4   -20 5  o 92.945  2.2502  1159.26   56.017    1167.14   79.450    1151.46   78.992    93.259  3.1806  92.630  3.1838  0.6288300      4.500318 
1 1 1 4   -20 6  f 154.654 3.1959  3216.46   132.383   3195.48   187.486   3237.32   186.952   154.148 4.5409  155.159 4.4984  -1.011749      6.391848 
1 1 1 4   -20 7  o 140.621 2.9370  2657.69   110.613   2620.10   156.534   2695.18   156.327   139.624 4.1856  141.618 4.1212  -1.993851      5.874018 
1 1 1 4   -20 8  o 18.762  2.4738  49.432    11.837    30.893    16.379    69.702    17.127    14.913  4.0125  22.611  2.8945  -7.697485      4.947536 
1 1 1 4   -20 9  o 137.168 2.8482  2528.67   104.617   2589.86   147.847   2467.31   148.055   138.836 3.9758  135.500 4.0794  3.336227       5.696333 
1 1 1 4   -20 10 o 57.149  1.8444  437.575   28.218    421.290   39.214    455.064   40.637    56.047  2.6122  58.250  2.6045  -2.203484      3.688775 
1 1 1 4   -20 11 o 45.273  1.8133  275.330   21.881    264.441   30.222    287.328   31.723    44.332  2.5560  46.215  2.5729  -1.883358      3.626696 
1 1 1 4   -20 12 o 38.249  1.8426  197.120   18.747    197.102   25.968    197.140   27.093    38.252  2.5492  38.246  2.6613  0.6202698E-02  3.685206 
1 1 1 4   -20 13 o 56.584  1.8378  429.638   27.833    435.644   38.791    423.265   39.959    56.994  2.5410  56.175  2.6557  0.8192329      3.675562 
1 1 1 4   -20 14 o 69.805  1.9201  653.812   35.889    661.447   50.322    645.908   51.199    70.221  2.6755  69.388  2.7548  0.8330612      3.840161 
1 1 1 4   -20 15 o 168.073 3.3824  3802.94   152.267   3784.96   215.047   3821.03   215.629   167.674 4.7883  168.472 4.7785  -0.7988129     6.764724 
1 1 1 4   -20 16 o 52.636  1.8300  372.236   25.727    351.293   36.235    393.525   36.533    51.105  2.6563  54.167  2.5180  -3.061966      3.660085 
1 1 1 4   -20 17 o 47.939  1.8510  309.462   23.653    323.329   33.322    295.380   33.580    49.031  2.5460  46.846  2.6874  2.185017       3.701951 
1 1 1 4   -20 18 o 120.836 2.6232  1962.15   84.902    1976.78   120.217   1947.58   119.923   121.287 3.7005  120.385 3.7191  0.9011612      5.246494 
1 1 1 4   -20 19 o 53.787  1.8925  389.126   27.182    374.445   38.864    403.184   38.031    52.753  2.7601  54.821  2.5901  -2.067924      3.785029 
1 1 1 4   -20 20 o 103.354 2.3957  1435.67   66.291    1394.99   94.108    1475.73   93.394    101.894 3.4482  104.813 3.3267  -2.918861      4.791341 
1 1 1 4   -20 21 o 118.744 2.6107  1895.62   83.024    1938.71   118.177   1853.63   116.664   120.079 3.6743  117.410 3.7097  2.668640       5.221378 
1 1 1 4   -20 22 o 61.943  1.9775  515.498   32.777    505.759   47.135    524.616   45.609    61.372  2.8674  62.514  2.7239  -1.141689      3.954905 
1 1 1 4   -20 23 f 187.819 3.7447  4771.44   188.380   4790.62   267.353   4752.53   265.474   188.191 5.3039  187.447 5.2876  0.7437897      7.489334 
1 1 1 4   -20 24 o 106.159 2.4532  1516.22   69.744    1541.18   99.738    1492.35   97.565    107.012 3.4797  105.306 3.4590  1.705696       4.906417 
1 1 1 4   -20 25 o 155.895 3.2446  3286.92   135.475   3326.58   192.562   3248.06   190.635   156.828 4.5841  154.963 4.5929  1.864944       6.489148 
1 1 1 4   -20 26 o 86.397  2.2433  1005.66   51.884    988.251   74.196    1022.31   72.580    85.656  3.2340  87.138  3.1097  -1.482498      4.486512 
1 1 1 4   -20 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -20 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -20 29 o 46.073  2.0897  288.395   25.583    274.848   36.943    300.876   35.461    45.003  3.0834  47.144  2.8212  -2.140945      4.179308 
1 1 1 4   -20 30 o 90.152  2.3496  1101.72   56.730    1106.52   80.857    1097.07   79.614    90.339  3.3416  89.965  3.3039  0.3743210      4.699125 
1 1 1 4   -20 31 o 79.422  2.2588  856.042   48.030    892.766   68.507    820.542   67.356    81.110  3.1533  77.733  3.2350  3.376816       4.517636 
1 1 1 4   -20 32 o 65.513  2.1475  583.049   37.679    594.832   53.822    571.725   52.765    66.162  3.0371  64.865  3.0370  1.297798       4.295068 
1 1 1 4   -20 33 o 38.196  2.1794  199.976   22.100    202.484   31.715    197.610   30.812    38.422  3.1083  37.969  3.0556  0.4529190      4.358729 
1 1 1 4   -20 34 o 13.755  3.1409  24.935    13.815    36.214    19.375    13.271    19.703    15.873  4.4029  11.637  4.4805  4.236074       6.281731 
1 1 1 4   -20 35 o 27.195  2.6162  103.860   18.513    94.968    25.789    113.315   26.593    25.932  3.8280  28.458  3.5672  -2.526424      5.232428 
1 1 1 4   -20 36 o 12.126  3.1627  14.543    14.199    3.0495    19.393    27.822    20.845    10.041  4.2292  14.210  4.7037  -4.169420      6.325397 
1 1 1 4   -20 37 o 35.134  2.4947  174.428   22.907    150.127   32.651    197.980   32.145    32.551  3.8174  37.717  3.2126  -5.165688      4.989323 
1 1 1 4   -20 38 o 15.379  3.4076  34.074    16.282    46.584    22.695    20.804    23.374    17.621  4.7155  13.136  4.9205  4.485223       6.815268 
1 1 1 4   -20 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -20 40 o 13.046  3.4104  17.768    17.188    -1.3488   23.762    38.748    24.893    10.211  4.4910  15.881  5.1335  -5.670258      6.820721 
1 1 1 4   -20 41 o 10.359  3.0656  -0.6069   15.864    20.898    22.125    -23.3628  22.759    12.634  4.7756  8.0839  3.8452  4.549971       6.131249 
1 1 1 4   -20 42 o 38.893  2.7429  226.900   28.172    230.362   39.366    223.266   40.333    39.295  3.7871  38.492  3.9689  0.8030357      5.485876 
1 1 1 4   -20 43 o 11.983  4.8926  16.680    24.846    16.680    24.846    0.0000    0.0000    11.983  4.8926  ?       ?       ?              ?        
1 1 1 4   -20 44 o 8.4035  3.9401  -14.2867  22.365    -14.2867  22.365    0.0000    0.0000    8.4035  3.9401  ?       ?       ?              ?        
1 1 1 4   -20 45 o 15.300  5.9355  43.512    34.781    43.512    34.781    0.0000    0.0000    15.300  5.9355  ?       ?       ?              ?        
1 1 1 4   -20 46 o 8.0546  3.5970  -1.3890   15.829    0.0000    0.0000    -1.3890   15.829    ?       ?       8.0546  3.5970  ?              ?        
1 1 1 4   -20 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -20 48 o 13.480  3.5591  35.410    16.343    39.428    31.383    33.914    19.143    13.526  5.5079  13.433  4.5091  0.9327602E-01  7.118208 
1 1 1 4   -19 0  o 165.824 3.3954  3698.73   150.805   3731.76   213.895   3666.07   212.651   166.562 4.7944  165.087 4.8091  1.474594       6.790742 
1 1 1 4   -19 1  o 168.577 3.4084  3822.50   153.893   3878.07   218.387   3767.68   216.896   169.797 4.8018  167.357 4.8386  2.439789       6.816854 
1 1 1 4   -19 2  o 118.328 2.6025  1879.69   82.476    1913.91   117.314   1846.24   115.975   119.394 3.6684  117.262 3.6925  2.131866       5.204964 
1 1 1 4   -19 3  o 112.702 2.5298  1705.24   76.362    1695.66   108.429   1714.67   107.560   112.386 3.6020  113.018 3.5531  -0.6320114     5.059581 
1 1 1 4   -19 4  o 96.118  2.2957  1240.01   59.089    1216.40   83.922    1263.23   83.211    95.208  3.2909  97.028  3.2018  -1.820648      4.591470 
1 1 1 4   -19 5  o 255.590 4.9242  8827.34   337.106   8876.83   477.244   8778.05   476.237   256.309 6.9517  254.871 6.9761  1.438019       9.848445 
1 1 1 4   -19 6  o 80.206  2.0468  863.118   43.943    900.916   62.284    825.656   62.007    81.958  2.8373  78.455  2.9507  3.502647       4.093523 
1 1 1 4   -19 7  o 41.699  1.7471  234.358   19.390    246.344   27.149    221.879   27.702    42.800  2.3776  40.598  2.5606  2.201973       3.494244 
1 1 1 4   -19 8  o 70.611  1.9269  668.906   36.431    686.132   51.334    651.427   51.709    71.529  2.6794  69.694  2.7700  1.835709       3.853848 
1 1 1 4   -19 9  o 110.032 2.4255  1625.24   71.474    1650.46   100.821   1599.77   101.341   110.893 3.3944  109.171 3.4657  1.721375       4.851064 
1 1 1 4   -19 10 o 103.880 2.3237  1448.37   64.646    1468.87   91.139    1427.61   91.709    104.622 3.2523  103.138 3.3198  1.484329       4.647394 
1 1 1 4   -19 11 f 158.607 3.2255  3383.72   136.970   3488.47   193.468   3278.45   193.942   161.079 4.4841  156.134 4.6375  4.945236       6.450903 
1 1 1 4   -19 12 o 189.746 3.7070  4848.07   188.395   4803.91   266.085   4892.46   266.777   188.876 5.2596  190.616 5.2252  -1.739487      7.413908 
1 1 1 4   -19 13 o 174.807 3.4580  4112.43   161.906   4131.54   228.650   4093.20   229.289   175.218 4.8720  174.397 4.9086  0.8212433      6.915930 
1 1 1 4   -19 14 o 111.065 2.4481  1656.10   72.825    1644.92   102.648   1667.43   103.336   110.688 3.4623  111.442 3.4619  -0.7549057     4.896107 
1 1 1 4   -19 15 o 99.226  2.2463  1321.43   59.696    1297.26   84.170    1345.89   84.677    98.312  3.1964  100.141 3.1570  -1.828545      4.492588 
1 1 1 4   -19 16 o 29.043  1.9360  114.055   14.872    119.850   21.353    108.595   20.726    29.768  2.7076  28.317  2.7680  1.451241       3.872045 
1 1 1 4   -19 17 o 240.807 4.6288  7842.13   298.557   7829.01   422.273   7855.25   422.173   240.603 6.5524  241.010 6.5398  -0.4073029     9.257639 
1 1 1 4   -19 18 o 113.968 2.5022  1744.69   76.379    1735.48   108.309   1753.81   107.727   113.667 3.5575  114.269 3.5197  -0.6023788     5.004381 
1 1 1 4   -19 19 o 122.596 2.6412  2019.52   86.723    2051.05   123.155   1988.50   122.142   123.547 3.7216  121.645 3.7487  1.901398       5.282346 
1 1 1 4   -19 20 o 109.122 2.4440  1599.24   71.428    1619.29   101.842   1579.83   100.207   109.795 3.4630  108.450 3.4497  1.344910       4.888033 
1 1 1 4   -19 21 o 66.128  2.0161  587.606   35.659    569.776   51.317    604.255   49.586    65.152  2.9406  67.104  2.7588  -1.951439      4.032166 
1 1 1 4   -19 22 o 180.313 3.6058  4386.11   174.140   4373.01   247.266   4398.99   245.288   180.039 5.1276  180.587 5.0711  -0.5484467     7.211635 
1 1 1 4   -19 23 o 83.890  2.1640  946.164   48.563    921.139   69.869    969.553   67.546    82.809  3.1501  84.972  2.9678  -2.162727      4.327941 
1 1 1 4   -19 24 o 176.122 3.5372  4189.07   166.850   4259.92   237.100   4119.56   234.840   177.602 4.9842  174.641 5.0204  2.961151       7.074358 
1 1 1 4   -19 25 o 64.622  2.0494  561.770   35.415    546.632   51.142    575.718   49.090    63.777  2.9938  65.466  2.7996  -1.688995      4.098817 
1 1 1 4   -19 26 o 137.867 2.9641  2566.18   109.445   2542.64   155.519   2589.29   154.048   137.230 4.2310  138.504 4.1525  -1.273682      5.928271 
1 1 1 4   -19 27 o 7.0436  2.3469  -25.2468  11.881    -41.6643  16.257    -6.4276   17.406    5.5430  2.7600  8.5442  3.7966  -3.001216      4.693811 
1 1 1 4   -19 28 o 90.369  2.7737  1099.89   64.809    1087.07   81.420    1122.07   107.069   89.766  3.3863  90.973  4.3940  -1.207077      5.547496 
1 1 1 4   -19 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -19 30 o 75.216  2.2043  764.804   44.392    752.906   63.364    776.273   62.211    74.630  3.1699  75.802  3.0641  -1.172348      4.408679 
1 1 1 4   -19 31 o 41.793  2.1025  237.551   23.366    233.394   33.462    241.507   32.642    41.421  3.0373  42.165  2.9080  -0.7441444     4.204916 
1 1 1 4   -19 32 o 21.571  2.8000  65.397    15.545    75.353    22.534    56.358    21.471    23.218  3.7515  19.925  4.1577  3.293343       5.600014 
1 1 1 4   -19 33 o 15.050  3.1069  31.741    13.536    23.947    19.161    39.506    19.126    13.484  4.5113  16.616  4.2733  -3.131659      6.213898 
1 1 1 4   -19 34 f 26.650  2.5414  99.227    17.621    90.970    24.863    107.559   24.976    25.467  3.7578  27.832  3.4224  -2.364401      5.082727 
1 1 1 4   -19 35 f 19.947  3.0777  57.847    16.032    68.111    22.523    47.304    22.827    21.862  3.9934  18.031  4.6841  3.830908       6.155325 
1 1 1 4   -19 36 o 26.251  2.7759  97.703    18.912    99.133    26.537    96.228    26.960    26.475  3.8555  26.027  3.9948  0.4475155      5.551870 
1 1 1 4   -19 37 o 47.391  2.2858  311.176   28.836    317.776   40.786    304.579   40.776    47.913  3.1964  46.869  3.2685  1.044174       4.571695 
1 1 1 4   -19 38 o 11.102  3.1506  8.5186    14.830    18.050    20.226    -2.5637   21.810    12.341  4.5862  9.8634  4.3212  2.477790       6.301268 
1 1 1 4   -19 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -19 40 o 43.156  2.4567  265.421   28.132    269.021   39.194    261.596   40.404    43.521  3.3890  42.790  3.5575  0.7309189      4.913323 
1 1 1 4   -19 41 o 11.543  3.3458  11.313    16.518    8.3792    22.794    14.558    23.971    11.061  4.6170  12.026  4.8435  -0.9650564     6.691499 
1 1 1 4   -19 42 o 21.532  3.5811  75.048    20.269    71.953    27.665    78.634    29.782    21.106  4.9750  21.958  5.1524  -0.8518829     7.162278 
1 1 1 4   -19 43 o 14.941  3.8934  34.518    20.008    27.879    25.240    45.744    32.820    13.613  5.1105  16.269  5.8752  -2.656091      7.786872 
1 1 1 4   -19 44 o 6.4847  3.2079  -40.2527  20.607    -40.2527  20.607    0.0000    0.0000    6.4847  3.2079  ?       ?       ?              ?        
1 1 1 4   -19 45 o 17.179  6.1088  57.836    35.344    57.836    35.344    0.0000    0.0000    17.179  6.1088  ?       ?       ?              ?        
1 1 1 4   -19 46 o 15.179  4.3747  38.897    18.760    0.0000    0.0000    38.897    18.760    ?       ?       15.179  4.3747  ?              ?        
1 1 1 4   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -19 48 o 16.761  3.7175  53.164    17.332    70.244    32.270    46.239    20.547    17.737  5.8515  15.785  4.5868  1.952456       7.434924 
1 1 1 4   -18 0  o 116.649 2.5883  1826.41   80.863    1862.11   114.941   1791.42   113.782   117.778 3.6435  115.519 3.6773  2.259644       5.176659 
1 1 1 4   -18 1  o 77.383  2.0754  803.301   43.007    793.187   61.204    813.167   60.446    76.900  2.9714  77.866  2.8983  -0.9654007     4.150789 
1 1 1 4   -18 2  o 64.264  1.9113  554.135   32.877    535.862   46.781    571.968   46.215    63.214  2.7629  65.313  2.6418  -2.098602      3.822653 
1 1 1 4   -18 3  o 115.342 2.5515  1785.52   78.825    1791.98   111.963   1779.16   110.994   115.548 3.6176  115.135 3.5992  0.4127350      5.103052 
1 1 1 4   -18 4  o 107.558 2.4621  1552.81   70.912    1518.52   100.594   1586.69   99.980    106.374 3.5306  108.742 3.4326  -2.367821      4.924226 
1 1 1 4   -18 5  o 188.720 3.7457  4792.54   189.287   4668.55   267.902   4916.15   267.484   186.270 5.3696  191.170 5.2238  -4.899628      7.491419 
1 1 1 4   -18 6  o 125.923 2.6922  2128.60   90.804    2122.04   128.494   2135.14   128.340   125.729 3.8156  126.118 3.7992  -0.3887711     5.384486 
1 1 1 4   -18 7  o 21.340  2.0018  62.185    11.124    56.610    15.613    67.932    15.853    20.334  2.9529  22.346  2.7036  -2.012115      4.003626 
1 1 1 4   -18 8  o 190.291 3.6914  4871.08   188.146   4856.08   265.917   4886.12   266.241   189.997 5.2253  190.586 5.2155  -0.5883789     7.382752 
1 1 1 4   -18 9  o 114.209 2.4893  1751.16   76.112    1808.76   107.412   1693.08   107.866   116.100 3.4541  112.318 3.5855  3.782227       4.978575 
1 1 1 4   -18 10 o 184.573 3.6545  4583.12   180.659   4627.41   255.176   4538.62   255.806   185.472 5.1366  183.674 5.1996  1.797867       7.308938 
1 1 1 4   -18 11 o 130.068 2.7298  2271.59   95.072    2198.53   134.007   2345.63   134.902   127.958 3.9100  132.178 3.8104  -4.220184      5.459570 
1 1 1 4   -18 12 f 80.108  1.9874  860.658   42.640    862.173   59.974    859.110   60.636    80.180  2.7926  80.036  2.8285  0.1439819      3.974751 
1 1 1 4   -18 13 o 30.585  1.7876  126.453   14.491    132.277   20.321    120.427   20.671    31.316  2.4420  29.855  2.6112  1.461273       3.575160 
1 1 1 4   -18 14 o 63.799  1.8196  545.783   31.094    543.508   43.800    548.095   44.147    63.665  2.5685  63.933  2.5781  -0.2677841     3.639196 
1 1 1 4   -18 15 o 78.813  1.9974  833.252   42.162    843.527   59.526    822.907   59.726    79.302  2.8024  78.325  2.8469  0.9771805      3.994793 
1 1 1 4   -18 16 o 184.633 3.5970  4589.87   177.865   4668.79   251.661   4511.11   251.416   186.227 5.0453  183.039 5.1281  3.187515       7.193936 
1 1 1 4   -18 17 o 125.582 2.6725  2118.47   89.889    2147.44   127.491   2089.82   126.757   126.437 3.7646  124.726 3.7942  1.710861       5.344908 
1 1 1 4   -18 18 o 183.193 3.5934  4520.96   176.292   4437.50   249.760   4603.84   248.872   181.496 5.1377  184.890 5.0254  -3.393661      7.186845 
1 1 1 4   -18 19 o 39.037  1.8444  204.700   19.137    222.522   27.873    188.807   26.322    40.650  2.5733  37.424  2.6429  3.225731       3.688709 
1 1 1 4   -18 20 o 104.189 2.3933  1457.22   66.774    1497.60   95.437    1418.49   93.460    105.603 3.3740  102.774 3.3951  2.828758       4.786523 
1 1 1 4   -18 21 o 26.220  2.3511  95.428    15.782    83.071    23.756    105.191   21.115    24.589  3.7235  27.851  2.8717  -3.261499      4.702231 
1 1 1 4   -18 22 o 49.358  1.9940  328.863   26.088    319.567   38.796    336.536   35.247    48.701  2.9885  50.014  2.6405  -1.312965      3.987909 
1 1 1 4   -18 23 o 150.378 3.1121  3043.96   125.312   3154.02   178.502   2937.01   175.960   153.066 4.3539  147.690 4.4481  5.376434       6.224285 
1 1 1 4   -18 24 f 145.906 3.0524  2867.38   119.266   2830.43   169.597   2903.53   167.754   144.966 4.3678  146.846 4.2650  -1.879364      6.104759 
1 1 1 4   -18 25 o 162.814 3.3323  3576.63   145.307   3544.19   206.258   3608.59   204.741   162.071 4.7513  163.557 4.6735  -1.485535      6.664615 
1 1 1 4   -18 26 o 79.264  2.2080  845.322   46.832    820.699   67.071    868.750   65.421    78.129  3.2050  80.400  3.0379  -2.270584      4.416000 
1 1 1 4   -18 27 o 114.422 2.6253  1764.16   80.447    1807.58   114.372   1721.64   113.176   115.820 3.6868  113.023 3.7385  2.796448       5.250588 
1 1 1 4   -18 28 o 32.349  2.3008  142.219   19.651    149.074   28.239    135.782   27.363    33.116  3.2246  31.581  3.2828  1.534285       4.601590 
1 1 1 4   -18 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -18 30 o 82.416  4.9332  930.417   108.401   0.0000    0.0000    930.417   108.401   ?       ?       82.416  4.9332  ?              ?        
1 1 1 4   -18 31 o 10.954  2.6633  7.9460    11.596    29.103    16.242    -14.0481  16.560    14.423  4.0421  7.4838  3.4690  6.939536       5.326580 
1 1 1 4   -18 32 o 21.998  2.7437  68.332    15.487    58.805    22.182    77.392    21.631    20.381  4.2030  23.615  3.5280  -3.233444      5.487424 
1 1 1 4   -18 33 o 54.914  2.1424  410.730   31.338    382.902   44.129    439.040   44.510    53.003  3.1222  56.824  2.9344  -3.820862      4.284723 
1 1 1 4   -18 34 o 71.433  2.2483  695.508   43.015    695.539   60.555    695.477   61.114    71.440  3.1646  71.425  3.1945  0.1487732E-01  4.496609 
1 1 1 4   -18 35 o 38.762  2.2463  206.665   23.113    207.520   32.453    205.785   32.926    38.854  3.1454  38.670  3.2079  0.1835785      4.492627 
1 1 1 4   -18 36 o 34.619  2.4083  166.802   21.950    175.326   30.336    157.434   31.801    35.623  3.2139  33.614  3.5874  2.008682       4.816509 
1 1 1 4   -18 37 o 15.382  3.2329  33.319    15.357    49.424    21.267    15.770    22.200    18.399  4.3787  12.366  4.7573  6.033206       6.465712 
1 1 1 4   -18 38 f 10.641  3.1210  5.8438    14.428    4.8109    18.926    7.2768    22.293    10.135  4.2169  11.147  4.6021  -1.011919      6.241920 
1 1 1 4   -18 39 o 8.4904  2.7432  -11.2017  13.992    -5.6600   18.487    -18.6328  21.408    8.7110  3.8889  8.2697  3.8702  0.4412918      5.486493 
1 1 1 4   -18 40 o 47.120  3.1320  333.337   36.875    293.065   60.117    357.630   46.691    44.011  5.2002  50.228  3.4922  -6.217617      6.264019 
1 1 1 4   -18 41 f 16.397  3.1966  37.659    18.527    76.107    25.317    -6.6649   27.183    22.428  4.3715  10.366  4.6650  12.06175       6.393123 
1 1 1 4   -18 42 o 12.301  3.1271  14.292    12.632    38.545    23.760    4.7351    14.915    15.617  5.0119  8.9839  3.7411  6.633327       6.254256 
1 1 1 4   -18 43 f 25.516  3.0522  106.942   18.472    82.627    31.127    120.161   22.950    22.198  5.3072  28.834  3.0162  -6.636662      6.104420 
1 1 1 4   -18 44 o 15.514  5.3520  41.206    26.995    41.206    26.995    0.0000    0.0000    15.514  5.3520  ?       ?       ?              ?        
1 1 1 4   -18 45 o 14.885  5.7547  38.475    32.609    38.475    32.609    0.0000    0.0000    14.885  5.7547  ?       ?       ?              ?        
1 1 1 4   -18 46 o 15.399  4.6838  40.773    21.040    0.0000    0.0000    40.773    21.040    ?       ?       15.399  4.6838  ?              ?        
1 1 1 4   -18 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -18 48 o 21.355  3.6219  79.598    19.016    107.979   35.479    68.158    22.525    22.973  5.7729  19.738  4.3755  3.234911       7.243725 
1 1 1 4   -17 0  o 61.561  1.9193  508.551   31.618    486.693   44.919    530.017   44.514    60.247  2.7836  62.875  2.6432  -2.628056      3.838574 
1 1 1 4   -17 1  f 168.212 3.4148  3803.65   153.808   3707.58   217.998   3898.89   217.041   166.087 4.9003  170.336 4.7572  -4.248627      6.829632 
1 1 1 4   -17 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -17 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -17 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -17 5  o 142.495 4.2406  2747.84   159.408   3317.11   228.653   2209.50   222.354   157.071 5.4349  127.920 6.5111  29.15028       8.481297 
1 1 1 4   -17 6  o 167.745 3.3725  3779.70   151.526   3770.59   214.287   3788.81   214.295   167.542 4.7751  167.947 4.7637  -0.4055939     6.744990 
1 1 1 4   -17 7  o 95.249  2.2080  1216.61   56.328    1224.26   79.501    1208.89   79.820    95.551  3.1063  94.947  3.1386  0.6032028      4.415913 
1 1 1 4   -17 8  o 220.949 4.2393  6569.13   250.878   6498.26   354.501   6640.24   355.089   219.751 6.0228  222.148 5.9677  -2.397354      8.478636 
1 1 1 4   -17 9  o 162.598 3.2415  3551.17   141.152   3615.54   199.351   3486.45   199.889   164.081 4.5360  161.115 4.6319  2.965317       6.483060 
1 1 1 4   -17 10 o 206.486 3.9921  5735.50   220.778   5797.49   311.940   5673.29   312.516   207.610 5.6096  205.362 5.6815  2.247406       7.984195 
1 1 1 4   -17 11 o 50.288  1.9669  333.472   25.467    316.240   31.706    364.803   42.752    48.511  2.4480  52.065  3.0793  -3.554176      3.933830 
1 1 1 4   -17 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -17 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -17 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -17 15 o 132.843 3.9213  2374.51   139.355   2214.58   194.464   2543.33   199.799   128.233 5.6618  137.453 5.4269  -9.219971      7.842614 
1 1 1 4   -17 16 o 51.268  1.7587  353.376   24.069    334.409   34.276    371.826   33.805    49.873  2.5746  52.664  2.3965  -2.790443      3.517409 
1 1 1 4   -17 17 o 160.426 3.2356  3460.74   139.031   3484.93   197.180   3436.82   196.066   160.984 4.5729  159.868 4.5788  1.115921       6.471202 
1 1 1 4   -17 18 o 89.316  2.1541  1070.00   51.518    1106.40   73.589    1035.00   72.146    90.807  3.0255  87.826  3.0669  2.981079       4.308131 
1 1 1 4   -17 19 o 103.656 2.3580  1442.36   65.455    1446.35   93.516    1438.52   91.647    103.795 3.3637  103.518 3.3053  0.2770996      4.715908 
1 1 1 4   -17 20 o 122.489 2.6660  2016.60   87.433    1977.88   124.603   2054.16   122.716   121.324 3.8344  123.655 3.7051  -2.331230      5.331991 
1 1 1 4   -17 21 o 35.588  1.9908  172.697   18.591    156.921   27.669    185.684   25.103    34.055  3.0662  37.121  2.5400  -3.065407      3.981608 
1 1 1 4   -17 22 o 110.526 2.5252  1641.55   74.728    1624.00   106.812   1658.39   104.587   109.941 3.6272  111.110 3.5143  -1.168907      5.050397 
1 1 1 4   -17 23 o 45.402  1.9967  276.957   24.115    289.251   35.459    266.376   32.893    46.336  2.8712  44.468  2.7755  1.868065       3.993352 
1 1 1 4   -17 24 o 131.807 2.8679  2336.68   101.222   2412.99   144.122   2262.40   142.197   133.936 4.0174  129.679 4.0939  4.257523       5.735759 
1 1 1 4   -17 25 o 262.401 5.0461  9360.80   354.647   9293.71   502.090   9427.60   501.004   261.444 7.1699  263.358 7.1024  -1.913605      10.09217 
1 1 1 4   -17 26 o 64.570  2.0741  559.803   35.824    599.800   51.225    521.514   50.119    66.832  2.8616  62.309  3.0031  4.522469       4.148175 
1 1 1 4   -17 27 o 60.441  2.0877  490.715   33.789    498.981   48.435    482.879   47.161    60.936  2.9675  59.947  2.9372  0.9891701      4.175307 
1 1 1 4   -17 28 o 75.314  2.1740  762.863   43.847    785.200   62.438    741.130   61.590    76.404  3.0510  74.224  3.0979  2.180069       4.348084 
1 1 1 4   -17 29 o 107.239 2.5655  1551.98   73.660    1607.12   104.310   1497.14   104.032   109.153 3.5678  105.326 3.6876  3.826942       5.131057 
1 1 1 4   -17 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -17 31 o 45.923  2.1553  286.977   26.211    319.503   36.981    254.140   37.157    48.593  2.8538  43.253  3.2306  5.340542       4.310532 
1 1 1 4   -17 32 o 92.876  2.4270  1169.62   60.373    1167.01   84.993    1172.27   85.772    92.776  3.4203  92.977  3.4441  -0.2006607     4.853902 
1 1 1 4   -17 33 o 81.841  2.3170  909.583   50.786    903.387   71.214    915.995   72.446    81.563  3.2597  82.119  3.2937  -0.5553436     4.634035 
1 1 1 4   -17 34 o 25.958  2.6088  93.792    17.605    91.658    24.187    96.197    25.674    25.657  3.6200  26.259  3.7574  -0.6015663     5.217512 
1 1 1 4   -17 35 o 30.062  2.4708  126.055   19.385    135.618   26.762    115.498   28.118    31.357  3.2327  28.768  3.7374  2.589304       4.941511 
1 1 1 4   -17 36 o 40.216  2.2838  222.968   24.368    226.067   33.871    219.642   35.084    40.537  3.1441  39.896  3.3131  0.6415443      4.567523 
1 1 1 4   -17 37 o 9.8236  2.9418  2.0501    13.309    1.5381    17.830    2.6942    19.998    9.4944  4.0301  10.153  4.2865  -0.6583347     5.883515 
1 1 1 4   -17 38 o 53.498  2.3405  396.682   33.343    392.941   46.093    400.789   48.292    53.267  3.2461  53.728  3.3728  -0.4612007     4.681099 
1 1 1 4   -17 39 o 15.887  3.2871  30.960    16.918    5.4526    22.371    65.033    25.856    10.895  4.5631  20.880  4.7326  -9.984960      6.574181 
1 1 1 4   -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -17 41 o 43.066  2.2324  257.649   25.081    283.923   40.259    240.985   32.063    44.669  3.3902  41.463  2.9054  3.206253       4.464786 
1 1 1 4   -17 42 o 10.066  2.8395  -1.0398   11.479    26.796    21.560    -12.0516  13.561    13.580  4.7774  6.5515  3.0706  7.028163       5.679070 
1 1 1 4   -17 43 o 27.171  2.8396  114.115   18.765    103.507   31.423    119.995   23.394    25.517  4.7730  28.824  3.0777  -3.306688      5.679245 
1 1 1 4   -17 44 o 19.007  3.3542  56.129    16.314    72.744    28.340    47.895    19.951    20.741  5.1299  17.273  4.3227  3.467745       6.708314 
1 1 1 4   -17 45 o 8.0001  3.8316  -23.6139  23.436    -23.6139  23.436    0.0000    0.0000    8.0001  3.8316  ?       ?       ?              ?        
1 1 1 4   -17 46 o 8.3921  4.0016  -21.2578  24.964    -21.2578  24.964    0.0000    0.0000    8.3921  4.0016  ?       ?       ?              ?        
1 1 1 4   -17 47 o 14.237  4.7464  35.477    21.211    0.0000    0.0000    35.477    21.211    ?       ?       14.237  4.7464  ?              ?        
1 1 1 4   -17 48 o 12.385  4.0740  -11.8284  16.324    104.861   59.146    -21.4494  16.983    18.288  7.5171  6.4829  3.1437  11.80494       8.147935 
1 1 1 4   -17 49 o 11.721  2.8597  20.599    15.551    -38.5118  28.546    45.546    18.545    7.6748  3.7928  15.767  4.2809  -8.092710      5.719380 
1 1 1 4   -16 0  o 185.878 7.4935  4659.76   373.083   4659.76   373.083   0.0000    0.0000    185.878 7.4935  ?       ?       ?              ?        
1 1 1 4   -16 1  o 406.594 7.5790  22440.46  825.385   22340.21  1167.84   22540.51  1166.70   405.672 10.748  407.517 10.689  -1.844574      15.15797 
1 1 1 4   -16 2  o 226.183 4.3639  6881.02   264.354   6790.81   374.375   6970.72   373.332   224.697 6.2204  227.669 6.1221  -2.972336      8.727782 
1 1 1 4   -16 3  o 286.042 5.4390  11026.50  416.701   10940.26  589.752   11112.48  588.857   284.917 7.7279  287.167 7.6557  -2.250488      10.87799 
1 1 1 4   -16 4  o 128.650 2.7596  2220.47   95.063    2162.36   134.591   2278.31   134.288   126.967 3.9576  130.332 3.8468  -3.365173      5.519114 
1 1 1 4   -16 5  o 162.896 3.2683  3561.10   142.601   3566.18   201.782   3556.04   201.554   163.012 4.6214  162.780 4.6228  0.2319641      6.536610 
1 1 1 4   -16 6  o 195.524 3.7922  5134.03   198.598   5109.43   280.800   5158.65   280.920   195.055 5.3747  195.994 5.3512  -0.9395447     7.584341 
1 1 1 4   -16 7  o 236.180 4.4929  7499.22   284.222   7493.91   401.776   7504.53   402.124   236.096 6.3534  236.264 6.3544  -0.1671753     8.985764 
1 1 1 4   -16 8  o 34.979  1.6887  165.473   15.643    181.248   21.883    148.986   22.371    36.711  2.2361  33.247  2.5312  3.464119       3.377439 
1 1 1 4   -16 9  o 67.448  1.8506  609.922   33.374    564.183   46.886    656.897   47.516    64.882  2.6980  70.013  2.5338  -5.131439      3.701234 
1 1 1 4   -16 10 o 379.695 7.1209  19511.23  724.159   19270.34  1023.61   19752.60  1024.62   377.326 10.128  382.064 10.012  -4.738007      14.24174 
1 1 1 4   -16 11 o 119.102 2.5051  1902.85   79.862    1813.96   112.571   1992.93   113.317   116.298 3.6138  121.907 3.4704  -5.608955      5.010292 
1 1 1 4   -16 12 o 80.115  1.9754  860.715   42.371    885.761   59.732    835.349   60.114    81.290  2.7434  78.940  2.8431  2.349785       3.950834 
1 1 1 4   -16 13 o 194.398 3.7624  5080.90   195.812   5264.43   276.936   4897.42   276.902   197.923 5.2239  190.874 5.4162  7.048477       7.524889 
1 1 1 4   -16 14 o 61.733  1.8068  510.837   29.870    524.286   42.369    497.546   42.117    62.541  2.5292  60.924  2.5810  1.616837       3.613653 
1 1 1 4   -16 15 o 111.580 2.4514  1670.31   73.263    1683.26   103.880   1657.49   103.342   112.010 3.4625  111.149 3.4712  0.8610992      4.902859 
1 1 1 4   -16 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -16 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -16 18 o 173.133 3.4670  4032.64   160.765   4009.88   228.268   4055.04   226.454   172.643 4.9364  173.623 4.8695  -0.9801941     6.933967 
1 1 1 4   -16 19 o 68.765  1.9457  634.856   35.790    620.085   51.603    648.547   49.682    67.990  2.8336  69.540  2.6673  -1.549217      3.891490 
1 1 1 4   -16 20 o 92.615  2.2374  1150.90   55.486    1162.55   79.573    1139.88   77.411    93.069  3.1920  92.161  3.1360  0.9083252      4.474745 
1 1 1 4   -16 21 o 60.580  1.9289  494.248   31.173    461.803   45.151    523.801   43.092    58.667  2.8733  62.493  2.5744  -3.825554      3.857888 
1 1 1 4   -16 22 o 111.848 2.5473  1681.50   76.269    1639.78   108.820   1721.78   106.925   110.477 3.6775  113.220 3.5259  -2.743073      5.094667 
1 1 1 4   -16 23 o 61.968  1.9946  514.792   33.087    529.555   47.801    501.212   45.845    62.820  2.8409  61.117  2.8006  1.702530       3.989217 
1 1 1 4   -16 24 o 126.565 2.7698  2153.60   93.877    2212.69   133.359   2095.55   132.173   128.290 3.8810  124.839 3.9528  3.451172       5.539543 
1 1 1 4   -16 25 o 46.831  2.0702  294.419   25.726    334.501   37.563    259.012   35.305    49.843  2.8253  43.819  3.0266  6.024048       4.140322 
1 1 1 4   -16 26 o 98.249  2.3957  1297.12   63.041    1317.75   89.542    1276.85   88.770    99.025  3.3760  97.473  3.4001  1.551292       4.791426 
1 1 1 4   -16 27 o 134.205 2.9263  2426.91   105.135   2523.96   148.937   2330.53   148.430   136.894 4.0619  131.516 4.2136  5.378220       5.852657 
1 1 1 4   -16 28 o 67.276  2.1442  608.649   38.592    646.515   54.833    571.480   54.326    69.357  2.9516  65.196  3.1110  4.161667       4.288402 
1 1 1 4   -16 29 o 61.053  2.1222  501.419   34.704    498.072   48.875    504.822   49.285    60.848  2.9989  61.259  3.0037  -0.4105072     4.244477 
1 1 1 4   -16 30 o 65.890  2.1679  584.635   38.211    545.909   53.516    624.912   54.578    63.655  3.1388  68.124  2.9911  -4.469086      4.335705 
1 1 1 4   -16 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -16 32 o 99.740  2.5092  1348.40   67.013    1365.73   94.017    1330.51   95.542    100.409 3.4958  99.071  3.6005  1.337723       5.018385 
1 1 1 4   -16 33 o 72.975  2.2518  722.802   43.948    753.798   61.451    690.351   62.876    74.608  3.0751  71.342  3.2904  3.265984       4.503661 
1 1 1 4   -16 34 o 31.330  2.4060  135.368   19.813    138.646   27.304    131.721   28.796    31.772  3.2543  30.888  3.5448  0.8837814      4.812050 
1 1 1 4   -16 35 o 13.578  2.9247  21.070    13.150    2.2062    17.734    44.107    19.598    9.6195  4.0476  17.536  4.2229  -7.916189      5.849442 
1 1 1 4   -16 36 o 72.981  2.3216  730.066   45.320    756.784   63.308    701.981   64.906    74.403  3.1767  71.559  3.3863  2.843796       4.643104 
1 1 1 4   -16 37 o 31.500  2.5521  138.494   21.110    137.335   29.015    139.799   30.771    31.393  3.5108  31.608  3.7049  -0.2151489     5.104127 
1 1 1 4   -16 38 f 53.902  2.3238  401.902   33.363    400.708   46.243    403.198   48.182    53.852  3.2207  53.952  3.3508  -0.9983063E-01 4.647612 
1 1 1 4   -16 39 o 30.806  2.3931  133.596   18.770    131.392   30.405    134.953   23.859    30.409  3.8170  31.203  2.8875  -0.7933483     4.786107 
1 1 1 4   -16 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -16 41 o 15.784  3.2169  33.413    13.954    54.122    24.414    23.366    17.005    18.749  4.8313  12.818  4.2486  5.931412       6.433707 
1 1 1 4   -16 42 f 12.373  3.2118  19.021    13.322    26.281    23.100    15.403    16.308    13.647  4.9289  11.098  4.1193  2.549273       6.423618 
1 1 1 4   -16 43 o 27.583  2.6636  107.162   18.544    139.539   31.493    89.980    22.943    30.503  3.9473  24.663  3.5775  5.840408       5.327209 
1 1 1 4   -16 44 o 17.432  3.3917  49.470    15.660    51.494    27.753    48.524    18.968    17.299  5.4002  17.566  4.1053  -0.2673187     6.783466 
1 1 1 4   -16 45 o 9.7740  4.3601  -0.5284   23.191    -0.5284   23.191    0.0000    0.0000    9.7740  4.3601  ?       ?       ?              ?        
1 1 1 4   -16 46 o 16.595  6.0781  53.037    35.305    53.037    35.305    0.0000    0.0000    16.595  6.0781  ?       ?       ?              ?        
1 1 1 4   -16 47 o 38.702  3.2601  225.963   33.481    0.0000    0.0000    225.963   33.481    ?       ?       38.702  3.2601  ?              ?        
1 1 1 4   -16 48 o 12.235  3.9554  13.495    17.390    43.310    63.083    11.043    18.091    14.534  6.7487  9.9359  4.1275  4.597726       7.910847 
1 1 1 4   -16 49 o 14.978  3.6488  47.249    17.598    44.100    32.985    48.503    20.806    13.958  5.6604  15.999  4.6060  -2.041492      7.297637 
1 1 1 4   -15 0  o 188.573 3.7088  4774.60   187.307   4700.15   265.274   4848.63   264.512   187.103 5.2933  190.044 5.1964  -2.940918      7.417640 
1 1 1 4   -15 1  o 158.278 3.2221  3360.88   136.592   3339.22   193.673   3382.32   192.671   157.769 4.5831  158.787 4.5302  -1.018082      6.444155 
1 1 1 4   -15 2  o 178.355 3.5350  4268.39   168.868   4239.38   239.326   4297.15   238.307   177.750 5.0268  178.961 4.9715  -1.210693      7.069990 
1 1 1 4   -15 3  o 333.988 6.2685  15023.13  560.682   14725.20  793.155   15320.72  792.692   330.659 8.9555  337.317 8.7736  -6.658020      12.53702 
1 1 1 4   -15 4  o 104.057 2.3397  1451.16   65.210    1452.12   92.356    1450.20   92.088    104.091 3.3125  104.022 3.3051  0.6871796E-01  4.679386 
1 1 1 4   -15 5  o 111.606 2.4687  1669.60   73.784    1632.25   104.259   1707.07   104.436   110.354 3.5272  112.857 3.4549  -2.502495      4.937353 
1 1 1 4   -15 6  o 290.616 5.4302  11353.52  422.689   11402.26  597.704   11304.75  597.841   291.242 7.6620  289.989 7.6969  1.252869       10.86041 
1 1 1 4   -15 7  o 291.704 5.4656  11439.88  427.001   11254.29  603.466   11625.97  604.277   289.326 7.7871  294.082 7.6715  -4.755615      10.93117 
1 1 1 4   -15 8  o 78.091  1.9438  817.021   40.656    805.839   57.210    828.429   57.786    77.551  2.7542  78.631  2.7437  -1.079620      3.887621 
1 1 1 4   -15 9  o 167.669 3.2912  3770.52   147.805   3736.07   208.703   3805.19   209.355   166.900 4.6686  168.438 4.6404  -1.538452      6.582434 
1 1 1 4   -15 10 o 164.551 3.2302  3631.69   142.370   3605.34   201.061   3658.19   201.623   163.951 4.5785  165.150 4.5580  -1.198456      6.460477 
1 1 1 4   -15 11 o 245.776 4.6354  8117.40   305.122   8251.03   431.420   7983.66   431.595   247.807 6.4998  243.745 6.6108  4.061813       9.270898 
1 1 1 4   -15 12 o 158.081 3.1645  3352.65   133.980   3399.30   189.356   3305.89   189.596   159.184 4.4411  156.978 4.5092  2.206406       6.329005 
1 1 1 4   -15 13 o 111.367 2.4144  1662.90   72.015    1686.10   101.885   1639.73   101.804   112.144 3.3919  110.590 3.4369  1.554390       4.828783 
1 1 1 4   -15 14 o 40.189  1.7325  217.616   18.529    206.856   26.500    227.908   25.917    39.206  2.5371  41.173  2.3599  -1.966877      3.465004 
1 1 1 4   -15 15 o 192.407 3.7548  4974.69   193.496   5043.39   274.238   4906.58   273.054   193.733 5.2849  191.081 5.3351  2.651749       7.509531 
1 1 1 4   -15 16 o 280.822 5.3341  10642.30  401.211   10707.47  568.173   10577.48  566.626   281.683 7.5306  279.960 7.5563  1.722443       10.66811 
1 1 1 4   -15 17 o 120.314 2.5834  1942.07   83.243    1981.00   118.683   1904.37   116.786   121.501 3.6469  119.127 3.6601  2.374207       5.166812 
1 1 1 4   -15 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -15 19 o 140.949 5.9273  2677.63   223.773   0.0000    0.0000    2677.63   223.773   ?       ?       140.949 5.9273  ?              ?        
1 1 1 4   -15 20 f 126.959 2.7442  2164.98   93.311    2171.60   133.020   2158.56   130.927   127.148 3.9059  126.771 3.8559  0.3776016      5.488499 
1 1 1 4   -15 21 o 112.298 2.5196  1692.93   75.769    1746.94   108.094   1640.74   106.238   114.061 3.5381  110.535 3.5883  3.525520       5.039288 
1 1 1 4   -15 22 o 222.197 4.3267  6669.94   257.391   6452.10   364.429   6886.78   363.585   218.543 6.2257  225.851 6.0103  -7.308121      8.653475 
1 1 1 4   -15 23 o 82.746  2.1665  918.825   48.012    933.667   68.443    904.445   67.368    83.403  3.0638  82.088  3.0640  1.315582       4.332996 
1 1 1 4   -15 24 o 168.236 3.4244  3812.77   154.284   3899.37   218.532   3726.70   217.851   170.151 4.7950  166.322 4.8901  3.828857       6.848781 
1 1 1 4   -15 25 f 9.4000  2.8103  -4.1948   12.834    10.277    18.999    -16.3425  17.407    11.235  4.3789  7.5655  3.5237  3.669096       5.620572 
1 1 1 4   -15 26 o 196.434 3.9165  5211.97   206.062   5228.13   291.241   5195.77   291.591   196.743 5.5267  196.126 5.5507  0.6171112      7.832935 
1 1 1 4   -15 27 o 30.966  2.3024  131.033   18.587    109.962   26.222    152.307   26.349    28.384  3.5250  33.548  2.9628  -5.163645      4.604732 
1 1 1 4   -15 28 o 70.393  2.1478  666.043   40.484    681.072   57.033    650.780   57.475    71.197  2.9907  69.589  3.0835  1.608414       4.295630 
1 1 1 4   -15 29 o 87.308  2.3396  1026.23   54.690    1048.02   76.795    1003.81   77.902    88.257  3.2486  86.360  3.3678  1.896461       4.679272 
1 1 1 4   -15 30 o 203.023 4.0883  5620.86   222.314   5625.39   313.420   5616.27   315.388   203.119 5.7609  202.928 5.8025  0.1908264      8.176572 
1 1 1 4   -15 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -15 32 o 56.019  2.1591  424.717   32.259    408.054   45.266    441.914   45.985    54.892  3.0913  57.146  3.0150  -2.253929      4.318165 
1 1 1 4   -15 33 o 108.591 2.6449  1602.44   76.916    1577.86   107.581   1628.14   110.013   107.745 3.7277  109.437 3.7531  -1.692062      5.289781 
1 1 1 4   -15 34 o 12.122  3.0573  17.193    12.557    13.884    17.215    20.955    18.355    11.381  4.2308  12.862  4.4146  -1.480092      6.114553 
1 1 1 4   -15 35 o 39.902  2.2633  218.755   23.905    228.842   33.053    207.693   34.615    40.920  3.0374  38.885  3.3563  2.034657       4.526646 
1 1 1 4   -15 36 o 18.910  3.2069  52.262    16.100    59.343    21.928    43.981    23.714    20.366  4.1604  17.455  4.8814  2.911486       6.413814 
1 1 1 4   -15 37 o 69.548  2.1834  664.755   40.345    633.254   60.137    690.537   54.404    67.937  3.3048  71.159  2.8544  -3.222572      4.366834 
1 1 1 4   -15 38 o 44.348  2.1912  275.720   25.236    245.604   38.769    297.863   33.243    42.039  3.4742  46.657  2.6712  -4.618168      4.382390 
1 1 1 4   -15 39 o 50.080  2.1905  352.460   28.564    315.361   43.812    379.888   37.671    47.544  3.4642  52.617  2.6819  -5.072884      4.381039 
1 1 1 4   -15 40 o 14.575  4.9795  29.758    23.349    29.758    23.349    0.0000    0.0000    14.575  4.9795  ?       ?       ?              ?        
1 1 1 4   -15 41 o 21.823  3.0178  73.033    16.201    63.098    27.291    78.438    20.132    20.207  5.0551  23.440  3.2978  -3.232952      6.035679 
1 1 1 4   -15 42 o 15.190  3.3001  35.273    14.233    32.740    25.403    36.432    17.183    14.862  5.1881  15.518  4.0800  -0.6557074     6.600247 
1 1 1 4   -15 43 o 41.503  2.4531  256.070   25.786    225.447   41.263    275.692   33.030    38.851  4.0236  44.154  2.8075  -5.302990      4.906199 
1 1 1 4   -15 44 o 35.529  2.5133  183.012   23.040    207.383   37.598    168.357   29.155    37.111  3.8379  33.947  3.2460  3.163490       5.026530 
1 1 1 4   -15 45 o 11.485  3.1710  9.7625    15.815    34.619    23.218    -11.7554  21.602    14.476  4.9652  8.4929  3.9456  5.983413       6.341984 
1 1 1 4   -15 46 o 34.756  5.9652  219.683   53.532    219.683   53.532    0.0000    0.0000    34.756  5.9652  ?       ?       ?              ?        
1 1 1 4   -15 47 o 27.264  3.8389  116.922   27.258    0.0000    0.0000    116.922   27.258    ?       ?       27.264  3.8389  ?              ?        
1 1 1 4   -15 48 o 26.059  3.7030  108.184   25.119    0.0000    0.0000    108.184   25.119    ?       ?       26.059  3.7030  ?              ?        
1 1 1 4   -15 49 o 7.3143  2.5329  -19.9846  13.491    -20.5164  27.905    -19.8224  15.412    8.4988  4.0983  6.1299  2.9776  2.368837       5.065781 
1 1 1 4   -14 0  f 224.444 4.3471  6762.90   261.256   6578.40   369.740   6946.86   369.204   221.379 6.2355  227.509 6.0587  -6.129791      8.694204 
1 1 1 4   -14 1  o 136.392 2.8935  2494.65   105.656   2413.33   149.802   2575.15   149.042   134.177 4.1682  138.607 4.0145  -4.430161      5.787081 
1 1 1 4   -14 2  o 100.267 2.3169  1347.00   62.219    1368.69   88.379    1325.70   87.609    101.067 3.2648  99.467  3.2884  1.600136       4.633791 
1 1 1 4   -14 3  o 350.104 6.5665  16481.18  615.763   16591.01  871.294   16371.58  870.347   351.273 9.2604  348.935 9.3123  2.338470       13.13297 
1 1 1 4   -14 4  o 324.941 6.0762  14187.56  528.831   14075.18  747.956   14299.90  747.802   323.650 8.6280  326.232 8.5580  -2.582092      12.15245 
1 1 1 4   -14 5  o 177.281 3.4807  4213.53   165.279   4227.15   233.691   4199.89   233.789   177.568 4.9135  176.994 4.9315  0.5741882      6.961428 
1 1 1 4   -14 6  o 126.545 2.6394  2146.10   89.453    2174.86   126.323   2117.17   126.688   127.396 3.7020  125.694 3.7630  1.702339       5.278722 
1 1 1 4   -14 7  o 146.389 2.9512  2872.13   115.716   2857.55   163.350   2886.81   163.946   146.016 4.1767  146.762 4.1706  -0.7458649     5.902426 
1 1 1 4   -14 8  o 189.495 3.6642  4815.17   185.969   4875.07   262.767   4755.06   263.233   190.678 5.1450  188.313 5.2188  2.364914       7.328471 
1 1 1 4   -14 9  o 107.789 2.3719  1556.83   68.469    1520.44   96.540    1593.65   97.122    106.521 3.3836  109.057 3.3249  -2.535507      4.743796 
1 1 1 4   -14 10 o 297.421 5.5749  11884.39  444.088   12034.27  627.940   11734.42  628.131   299.303 7.8328  295.539 7.9350  3.764252       11.14976 
1 1 1 4   -14 11 o 149.727 3.0083  3005.35   120.642   3021.99   170.505   2988.66   170.723   150.143 4.2398  149.312 4.2688  0.8312683      6.016540 
1 1 1 4   -14 12 o 232.238 4.4289  7240.56   275.482   7328.87   389.639   7152.29   389.542   233.658 6.2258  230.819 6.3008  2.838608       8.857776 
1 1 1 4   -14 13 o 128.047 2.6892  2198.00   92.233    2198.35   130.679   2197.65   130.197   128.057 3.8099  128.037 3.7964  0.1986694E-01  5.378495 
1 1 1 4   -14 14 o 241.189 4.6336  7817.10   299.332   7769.21   423.823   7864.77   422.818   240.448 6.5807  241.929 6.5249  -1.481277      9.267188 
1 1 1 4   -14 15 o 212.676 4.1131  6076.22   234.301   6088.94   332.094   6063.61   330.616   212.897 5.8238  212.455 5.8099  0.4416809      8.226231 
1 1 1 4   -14 16 o 108.519 2.4098  1578.72   70.035    1606.23   99.993    1552.23   98.122    109.447 3.4110  107.591 3.4049  1.855339       4.819534 
1 1 1 4   -14 17 f 78.131  2.0157  817.789   42.166    838.679   60.683    798.287   58.632    79.094  2.8644  77.167  2.8367  1.927368       4.031338 
1 1 1 4   -14 18 o 196.652 3.8518  5201.52   202.869   5161.47   288.013   5240.96   285.801   195.894 5.4891  197.410 5.4051  -1.515656      7.703612 
1 1 1 4   -14 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -14 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -14 21 o 160.811 3.2695  3478.27   140.810   3425.77   199.578   3530.31   198.696   159.596 4.6688  162.025 4.5784  -2.429855      6.539080 
1 1 1 4   -14 22 o 98.795  2.3418  1310.12   61.963    1334.40   87.976    1286.21   87.286    99.704  3.2943  97.885  3.3292  1.819389       4.683597 
1 1 1 4   -14 23 o 156.643 3.2482  3301.84   136.282   3319.20   192.819   3284.52   192.643   157.055 4.5836  156.230 4.6036  0.8257904      6.496393 
1 1 1 4   -14 24 o 209.114 4.1402  5904.66   231.887   5963.92   327.875   5845.36   327.999   210.173 5.8243  208.055 5.8858  2.117401       8.280399 
1 1 1 4   -14 25 o 111.886 2.5945  1682.21   77.740    1643.59   109.659   1721.23   110.225   110.592 3.7020  113.181 3.6359  -2.588913      5.188904 
1 1 1 4   -14 26 o 151.670 3.1786  3097.76   129.102   3157.79   182.202   3037.24   182.957   153.155 4.4415  150.184 4.5482  2.970871       6.357123 
1 1 1 4   -14 27 o 114.343 2.6533  1757.93   81.225    1688.21   114.139   1829.46   115.614   112.040 3.8034  116.646 3.7004  -4.606110      5.306505 
1 1 1 4   -14 28 o 47.931  2.0999  310.335   26.772    326.828   37.470    293.134   38.264    49.252  2.8526  46.610  3.0824  2.641891       4.199769 
1 1 1 4   -14 29 o 157.488 3.3283  3351.31   140.380   3384.84   197.621   3317.17   199.445   158.296 4.6609  156.679 4.7525  1.617020       6.656631 
1 1 1 4   -14 30 o 135.593 3.0015  2484.69   108.988   2512.68   153.131   2455.95   155.153   136.382 4.1920  134.804 4.2970  1.577927       6.003100 
1 1 1 4   -14 31 o 101.825 2.5588  1399.29   69.773    1377.86   97.415    1421.85   99.981    101.030 3.5999  102.621 3.6374  -1.591347      5.117625 
1 1 1 4   -14 32 o 56.846  4.8672  443.737   73.393    0.0000    0.0000    443.737   73.393    ?       ?       56.846  4.8672  ?              ?        
1 1 1 4   -14 33 o 40.157  2.1757  218.760   23.198    208.000   31.965    230.735   33.720    39.110  3.0762  41.204  3.0775  -2.094070      4.351315 
1 1 1 4   -14 34 f 29.783  2.4942  122.366   19.429    123.818   26.446    120.664   28.638    30.019  3.3461  29.547  3.6998  0.4723892      4.988417 
1 1 1 4   -14 35 o 28.568  2.1871  108.836   16.206    132.874   25.817    93.204    20.819    31.111  3.1412  26.025  3.0442  5.085638       4.374254 
1 1 1 4   -14 36 o 58.977  2.0452  470.051   32.116    512.297   48.263    436.476   43.025    61.359  2.9366  56.595  2.8473  4.763325       4.090362 
1 1 1 4   -14 37 o 54.638  2.0842  409.514   30.084    396.362   45.627    419.628   40.013    53.730  3.1846  55.545  2.6895  -1.814762      4.168327 
1 1 1 4   -14 38 o 46.113  2.0729  286.605   25.230    337.027   38.952    250.161   33.116    49.549  2.9484  42.677  2.9145  6.872089       4.145753 
1 1 1 4   -14 39 o 10.192  2.6671  9.5412    10.968    -10.7687  18.464    20.616    13.635    8.2331  3.7599  12.150  3.7838  -3.917236      5.334238 
1 1 1 4   -14 40 o 41.306  2.2011  236.787   23.864    242.404   36.940    232.764   31.263    41.608  3.3429  41.005  2.8644  0.6031456      4.402224 
1 1 1 4   -14 41 o 19.880  3.0402  55.882    15.334    73.861    25.549    45.760    19.170    22.236  4.4451  17.524  4.1486  4.712288       6.080313 
1 1 1 4   -14 42 o 28.621  2.6331  118.090   19.052    123.613   31.314    114.845   24.005    28.872  4.1701  28.369  3.2160  0.5032883      5.266135 
1 1 1 4   -14 43 o 38.955  2.4142  217.200   24.209    230.372   39.577    209.324   30.602    39.568  3.7804  38.342  3.0038  1.225430       4.828434 
1 1 1 4   -14 44 o 8.8505  2.7739  -0.7874   12.027    -0.7905   22.227    -0.7861   14.301    9.7251  4.3073  7.9759  3.4966  1.749197       5.547854 
1 1 1 4   -14 45 o 12.230  2.7612  19.802    14.055    -28.8396  25.033    42.196    16.985    8.0682  3.8884  16.391  3.9213  -8.322736      5.522402 
1 1 1 4   -14 46 o 25.521  5.1535  111.447   34.014    111.447   34.014    0.0000    0.0000    25.521  5.1535  ?       ?       ?              ?        
1 1 1 4   -14 47 o 21.697  6.7980  101.355   43.934    101.355   43.934    0.0000    0.0000    21.697  6.7980  ?       ?       ?              ?        
1 1 1 4   -14 48 f 31.676  3.4757  156.077   29.005    0.0000    0.0000    156.077   29.005    ?       ?       31.676  3.4757  ?              ?        
1 1 1 4   -14 49 o 14.600  3.5464  29.379    16.709    81.526    31.871    9.6126    19.622    19.466  5.7287  9.7342  4.1821  9.731734       7.092854 
1 1 1 4   -13 0  o 267.414 5.0806  9599.95   363.726   9258.87   514.520   9940.67   514.252   262.655 7.3135  272.174 7.0541  -9.519073      10.16110 
1 1 1 4   -13 1  o 125.903 2.7423  2125.69   92.393    2028.30   130.994   2222.11   130.336   123.029 3.9752  128.776 3.7787  -5.747414      5.484551 
1 1 1 4   -13 2  o 201.448 3.9796  5442.50   214.661   5288.90   303.905   5595.44   303.249   198.607 5.7129  204.289 5.5420  -5.681732      7.959285 
1 1 1 4   -13 3  o 88.730  2.1758  1054.95   51.699    1029.95   73.192    1079.84   73.034    87.681  3.1165  89.780  3.0371  -2.098976      4.351626 
1 1 1 4   -13 4  o 361.200 6.7472  17528.36  652.761   17406.61  923.124   17650.13  923.162   359.942 9.5750  362.459 9.5089  -2.517029      13.49444 
1 1 1 4   -13 5  o 91.570  2.1582  1123.64   52.891    1067.04   74.540    1181.04   75.062    89.245  3.1183  93.894  2.9846  -4.648056      4.316438 
1 1 1 4   -13 6  o 429.572 7.9172  24822.63  910.905   24525.49  1287.73   25120.21  1288.69   426.989 11.260  432.156 11.133  -5.167328      15.83432 
1 1 1 4   -13 7  o 333.998 6.1979  14980.68  554.472   14986.21  783.865   14975.14  784.418   334.060 8.7605  333.936 8.7699  0.1243286      12.39586 
1 1 1 4   -13 8  o 279.162 5.2275  10457.67  390.872   10403.19  552.470   10512.27  553.084   278.433 7.4080  279.891 7.3776  -1.458130      10.45496 
1 1 1 4   -13 9  o 392.418 7.2307  20704.34  760.008   20718.31  1074.59   20690.36  1075.04   392.552 10.220  392.285 10.231  0.2666016      14.46140 
1 1 1 4   -13 10 o 193.688 3.7559  5029.81   194.849   5051.60   275.427   5007.96   275.690   194.109 5.2975  193.268 5.3257  0.8413544      7.511737 
1 1 1 4   -13 11 o 159.496 3.1881  3410.26   136.170   3492.56   192.612   3328.03   192.534   161.422 4.4548  157.570 4.5619  3.851227       6.376240 
1 1 1 4   -13 12 o 178.140 3.4217  4254.44   163.261   4286.93   231.139   4222.08   230.634   178.819 4.8258  177.461 4.8521  1.358627       6.843352 
1 1 1 4   -13 13 o 282.585 5.3110  10725.02  401.980   10813.05  569.061   10637.34  567.911   283.745 7.4876  281.425 7.5340  2.319763       10.62194 
1 1 1 4   -13 14 o 318.579 5.9658  13648.92  509.060   13764.70  720.768   13533.68  719.075   319.931 8.4111  317.227 8.4628  2.704163       11.93169 
1 1 1 4   -13 15 o 220.449 4.1946  6524.12   247.650   6661.62   351.302   6388.30   349.169   222.761 5.8878  218.136 5.9761  4.625595       8.389277 
1 1 1 4   -13 16 o 155.624 3.1555  3249.04   131.519   3232.49   187.027   3265.24   184.982   155.230 4.4982  156.018 4.4265  -0.7885284     6.310968 
1 1 1 4   -13 17 o 224.337 4.3070  6765.05   258.796   6785.10   367.142   6745.25   364.855   224.666 6.1011  224.008 6.0809  0.6578827      8.613994 
1 1 1 4   -13 18 o 230.487 4.4476  7149.25   274.557   7075.99   389.154   7221.85   387.417   229.303 6.3361  231.671 6.2433  -2.367599      8.895242 
1 1 1 4   -13 19 o 135.842 2.8525  2477.27   103.779   2452.90   147.327   2501.28   146.212   135.176 4.0690  136.508 3.9988  -1.332031      5.705070 
1 1 1 4   -13 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -13 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -13 22 o 130.048 2.8062  2272.16   97.747    2291.64   138.230   2252.67   138.241   130.607 3.9514  129.488 3.9858  1.118820       5.612489 
1 1 1 4   -13 23 o 36.620  1.9254  181.434   18.678    165.581   26.597    196.860   26.236    35.015  2.8609  38.226  2.5775  -3.210888      3.850727 
1 1 1 4   -13 24 o 111.957 2.5689  1684.15   77.017    1714.44   108.524   1653.42   109.317   112.976 3.5863  110.939 3.6789  2.037476       5.137700 
1 1 1 4   -13 25 o 86.503  2.2616  1004.39   52.395    985.743   73.456    1023.70   74.757    85.686  3.2006  87.321  3.1963  -1.634605      4.523269 
1 1 1 4   -13 26 o 128.601 2.8418  2223.70   97.879    2188.16   137.605   2260.10   139.253   127.560 4.0275  129.642 4.0103  -2.082016      5.683544 
1 1 1 4   -13 27 o 181.572 3.6954  4448.63   179.713   4466.51   253.232   4430.49   255.083   181.947 5.1962  181.197 5.2558  0.7505188      7.390815 
1 1 1 4   -13 28 o 84.419  2.2856  958.037   51.652    978.718   72.372    936.568   73.740    85.354  3.1656  83.485  3.2977  1.869209       4.571192 
1 1 1 4   -13 29 o 97.728  2.4797  1285.53   64.872    1312.43   90.872    1257.57   92.641    98.781  3.4345  96.676  3.5776  2.104477       4.959376 
1 1 1 4   -13 30 o 97.621  2.4737  1283.37   64.664    1282.11   90.381    1284.70   92.554    97.578  3.4581  97.664  3.5381  -0.8622742E-01 4.947398 
1 1 1 4   -13 31 o 93.922  2.4695  1189.15   62.107    1171.53   86.603    1207.81   89.115    93.210  3.4688  94.633  3.5158  -1.423248      4.938944 
1 1 1 4   -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -13 33 o 37.194  2.6233  188.482   24.479    186.472   30.201    192.332   41.795    37.030  3.0727  37.358  4.2527  -0.3282013     5.246562 
1 1 1 4   -13 34 f 39.680  2.0688  217.554   21.386    192.366   32.412    236.976   28.461    37.531  3.2566  41.829  2.5525  -4.298553      4.137695 
1 1 1 4   -13 35 o 26.100  2.2022  90.642    14.822    114.378   23.632    75.248    19.031    28.860  3.1060  23.339  3.1226  5.521309       4.404318 
1 1 1 4   -13 36 o 14.211  2.9102  27.513    11.389    32.905    18.902    24.439    14.271    15.231  4.3917  13.191  3.8196  2.040034       5.820333 
1 1 1 4   -13 37 o 48.765  2.0588  326.166   26.486    317.956   40.167    332.482   35.230    48.140  3.1321  49.391  2.6730  -1.250332      4.117646 
1 1 1 4   -13 38 o 39.334  2.2338  219.153   22.499    185.981   34.960    242.604   29.394    36.530  3.6207  42.138  2.6173  -5.607384      4.467609 
1 1 1 4   -13 39 o 18.586  2.9778  50.231    14.197    50.457    22.852    50.089    18.118    18.507  4.6234  18.665  3.7541  -0.1587830     5.955579 
1 1 1 4   -13 40 o 34.928  2.3498  170.408   21.206    173.277   33.853    168.555   27.204    35.007  3.6648  34.849  2.9420  0.1581688      4.699536 
1 1 1 4   -13 41 o 39.548  2.3579  221.102   24.188    217.521   38.134    223.511   31.287    39.057  3.6888  40.038  2.9379  -0.9801750     4.715828 
1 1 1 4   -13 42 o 13.986  3.1559  29.493    14.698    7.6384    24.533    41.728    18.357    11.344  4.7662  16.629  4.1379  -5.285914      6.311821 
1 1 1 4   -13 43 o 34.935  2.5674  179.337   22.590    173.725   37.287    182.592   28.393    34.035  4.1779  35.835  2.9854  -1.799641      5.134880 
1 1 1 4   -13 44 o 9.2427  2.8320  1.5914    12.313    5.6492    21.095    -0.5057   15.165    10.245  4.3670  8.2407  3.6070  2.004061       5.664010 
1 1 1 4   -13 45 o 30.187  2.7615  136.141   21.027    152.512   35.252    127.100   26.198    31.142  4.3445  29.232  3.4101  1.910522       5.522981 
1 1 1 4   -13 46 o 13.763  5.3909  29.554    28.904    29.554    28.904    0.0000    0.0000    13.763  5.3909  ?       ?       ?              ?        
1 1 1 4   -13 47 o 39.765  6.1989  297.967   63.871    297.967   63.871    0.0000    0.0000    39.765  6.1989  ?       ?       ?              ?        
1 1 1 4   -13 48 o 8.4306  3.7630  -0.4463   17.301    0.0000    0.0000    -0.4463   17.301    ?       ?       8.4306  3.7630  ?              ?        
1 1 1 4   -13 49 o 11.829  3.8652  13.899    17.367    43.606    64.628    11.586    18.031    13.836  6.5512  9.8229  4.1039  4.012569       7.730467 
1 1 1 4   -12 0  o 175.837 3.4975  4144.03   164.716   4203.24   233.388   4085.27   232.501   177.089 4.9204  174.585 4.9720  2.504395       6.995042 
1 1 1 4   -12 1  o 231.628 4.4662  7194.47   277.081   7151.42   392.306   7237.32   391.398   230.936 6.3423  232.321 6.2899  -1.385162      8.932356 
1 1 1 4   -12 2  o 321.479 6.0621  13872.62  521.991   13929.15  738.722   13816.24  737.692   322.134 8.5616  320.824 8.5846  1.310333       12.12420 
1 1 1 4   -12 3  o 282.096 5.3492  10676.77  404.156   10552.34  571.687   10801.08  571.438   280.450 7.6105  283.742 7.5189  -3.292175      10.69834 
1 1 1 4   -12 4  o 141.439 2.8983  2680.57   109.799   2670.18   155.204   2690.98   155.354   141.165 4.1048  141.714 4.0928  -0.5491333     5.796556 
1 1 1 4   -12 5  o 262.993 4.9366  9278.90   347.638   9548.28   491.662   9009.59   491.606   266.816 6.8796  259.169 7.0818  7.647247       9.873266 
1 1 1 4   -12 6  o 256.114 4.7784  8797.74   327.758   8638.12   463.104   8957.94   463.936   253.783 6.8128  258.445 6.7020  -4.661453      9.556704 
1 1 1 4   -12 7  o 364.260 6.7686  17821.63  660.385   17880.69  933.695   17762.51  934.154   364.866 9.5540  363.654 9.5905  1.211823       13.53721 
1 1 1 4   -12 8  o 256.784 4.7918  8843.96   329.560   8742.97   465.729   8945.24   466.410   255.314 6.8104  258.254 6.7427  -2.940399      9.583550 
1 1 1 4   -12 9  o 398.623 7.3791  21357.78  787.847   21542.79  1114.17   21172.74  1114.20   400.356 10.390  396.890 10.481  3.465912       14.75819 
1 1 1 4   -12 10 o 160.504 3.1735  3452.91   136.408   3530.01   192.912   3375.81   192.907   162.298 4.4377  158.711 4.5379  3.586899       6.347092 
1 1 1 4   -12 11 o 286.584 5.4298  11023.09  416.748   11227.62  589.735   10819.06  589.007   289.245 7.6121  283.923 7.7452  5.321747       10.85962 
1 1 1 4   -12 12 o 308.833 5.7714  12805.77  477.412   12782.18  675.625   12829.30  674.701   308.547 8.1751  309.118 8.1489  -0.5706482     11.54283 
1 1 1 4   -12 13 o 194.577 3.7895  5076.24   197.493   5133.29   280.139   5019.87   278.465   195.665 5.3453  193.490 5.3731  2.174927       7.579058 
1 1 1 4   -12 14 o 220.050 4.2520  6495.66   250.608   6505.31   355.414   6486.12   353.420   220.212 6.0256  219.889 6.0007  0.3234863      8.503907 
1 1 1 4   -12 15 o 225.289 4.3436  6813.49   262.004   6617.28   371.467   7007.72   369.599   222.053 6.2456  228.526 6.0382  -6.472580      8.687193 
1 1 1 4   -12 16 o 169.927 3.3857  3873.54   154.073   3818.73   218.846   3927.40   216.950   168.732 4.8423  171.122 4.7333  -2.389633      6.771408 
1 1 1 4   -12 17 o 73.405  1.9811  722.168   38.939    718.483   55.723    725.684   54.434    73.221  2.8413  73.589  2.7617  -0.3673630     3.962277 
1 1 1 4   -12 18 o 200.835 3.9275  5418.41   211.269   5460.52   299.280   5376.57   298.282   201.614 5.5420  200.056 5.5666  1.558578       7.854979 
1 1 1 4   -12 19 o 85.259  2.1490  974.638   49.074    970.235   69.504    979.014   69.299    85.067  3.0504  85.452  3.0277  -0.3847351     4.297929 
1 1 1 4   -12 20 o 125.649 2.7245  2119.83   91.625    2215.92   129.693   2024.07   129.461   128.499 3.7681  122.799 3.9360  5.700096       5.448953 
1 1 1 4   -12 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -12 22 o 142.877 3.0122  2743.54   115.262   2780.37   162.663   2706.39   163.350   143.844 4.2219  141.909 4.2975  1.935074       6.024386 
1 1 1 4   -12 23 o 87.312  2.2278  1023.00   52.096    1018.32   73.206    1027.80   74.153    87.111  3.1375  87.514  3.1635  -0.4032974     4.455524 
1 1 1 4   -12 24 o 98.642  2.3838  1306.10   62.970    1271.00   88.356    1342.35   89.768    97.294  3.3905  99.991  3.3518  -2.696510      4.767546 
1 1 1 4   -12 25 o 111.221 2.5845  1662.64   76.961    1700.34   108.129   1623.94   109.562   112.506 3.5882  109.937 3.7207  2.569313       5.169064 
1 1 1 4   -12 26 o 198.379 3.9668  5311.99   210.763   5347.26   297.086   5276.25   299.052   199.052 5.5722  197.706 5.6473  1.346634       7.933549 
1 1 1 4   -12 27 o 140.057 3.0280  2640.37   113.565   2675.06   159.532   2604.73   161.700   140.999 4.2242  139.115 4.3396  1.884094       6.056039 
1 1 1 4   -12 28 o 63.005  2.1069  533.598   35.512    548.741   49.490    517.526   50.986    63.932  2.8901  62.078  3.0664  1.854591       4.213721 
1 1 1 4   -12 29 o 165.089 3.4536  3681.06   152.670   3745.78   214.708   3614.88   217.129   166.577 4.8122  163.601 4.9550  2.975479       6.907189 
1 1 1 4   -12 30 o 78.912  2.2811  838.690   48.146    863.130   66.974    812.552   69.262    80.114  3.1211  77.710  3.3276  2.404625       4.562239 
1 1 1 4   -12 31 o 25.203  2.7209  87.172    17.631    72.270    24.038    104.526   25.939    22.791  4.0879  27.615  3.5920  -4.823851      5.441800 
1 1 1 4   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -12 33 o 63.635  2.0489  545.154   34.781    558.312   51.834    534.377   46.910    64.314  3.0089  62.956  2.7819  1.358055       4.097887 
1 1 1 4   -12 34 o 20.625  2.6734  62.445    13.707    47.708    21.676    72.265    17.694    18.314  4.4602  22.935  2.9486  -4.620502      5.346711 
1 1 1 4   -12 35 o 33.000  2.2898  157.613   18.710    111.570   28.484    192.555   24.814    28.324  3.8547  37.677  2.4726  -9.352638      4.579569 
1 1 1 4   -12 36 o 27.368  2.3076  103.956   16.136    101.406   25.670    105.622   20.748    26.982  3.6451  27.754  2.8306  -0.7714252     4.615148 
1 1 1 4   -12 37 o 56.390  2.0582  426.927   30.777    499.823   47.043    372.382   40.693    60.577  2.8994  52.203  2.9220  8.373707       4.116369 
1 1 1 4   -12 38 o 44.031  2.1555  267.316   24.836    261.727   38.551    271.282   32.472    43.525  3.3321  44.537  2.7353  -1.012012      4.310978 
1 1 1 4   -12 39 f 53.046  2.1523  383.617   30.158    416.667   46.644    359.875   39.534    54.925  3.1842  51.168  2.8964  3.756607       4.304502 
1 1 1 4   -12 40 o 55.400  2.2097  426.262   32.185    422.307   49.701    429.117   42.237    55.010  3.3896  55.791  2.8358  -0.7801514     4.419439 
1 1 1 4   -12 41 o 25.341  2.7049  86.618    17.154    119.151   29.399    69.826    21.122    28.719  3.9246  21.963  3.7234  6.756020       5.409822 
1 1 1 4   -12 42 o 25.521  2.8441  96.843    17.843    92.600    29.864    99.199    22.252    24.668  4.6914  26.374  3.2165  -1.706617      5.688124 
1 1 1 4   -12 43 o 24.221  2.9066  84.399    17.678    106.236   29.572    72.255    22.052    26.456  4.3224  21.985  3.8870  4.471071       5.813106 
1 1 1 4   -12 44 o 19.872  3.3035  63.405    16.454    62.392    29.213    63.876    19.913    19.189  5.4361  20.556  3.7551  -1.367102      6.606977 
1 1 1 4   -12 45 o 6.2043  2.1179  -24.2292  11.206    -67.1085  21.623    -8.4823   13.104    5.7199  2.8914  6.6888  3.0953  -0.9688230     4.235717 
1 1 1 4   -12 46 o 5.8066  2.9066  -47.6309  19.100    -47.6309  19.100    0.0000    0.0000    5.8066  2.9066  ?       ?       ?              ?        
1 1 1 4   -12 47 o 12.746  5.5395  17.856    35.222    17.856    35.222    0.0000    0.0000    12.746  5.5395  ?       ?       ?              ?        
1 1 1 4   -12 48 o 25.704  3.7390  104.882   24.987    0.0000    0.0000    104.882   24.987    ?       ?       25.704  3.7390  ?              ?        
1 1 1 4   -12 49 o 16.704  4.2741  59.515    20.693    88.438    67.275    56.493    21.748    15.863  7.2182  17.544  4.5792  -1.680141      8.548221 
1 1 1 4   -11 0  o 126.668 2.7047  2149.74   91.744    2209.27   130.160   2090.96   129.336   128.411 3.7843  124.924 3.8653  3.487022       5.409393 
1 1 1 4   -11 1  o 202.440 3.9633  5494.55   214.858   5372.84   304.199   5615.71   303.512   200.201 5.6729  204.680 5.5362  -4.479507      7.926596 
1 1 1 4   -11 2  o 289.707 5.4367  11260.16  421.870   11246.52  596.960   11273.77  596.270   289.531 7.6977  289.883 7.6795  -0.3517761     10.87332 
1 1 1 4   -11 3  o 375.116 6.9955  18902.32  702.751   19311.63  994.298   18493.78  993.382   379.186 9.7898  371.047 9.9954  8.138916       13.99100 
1 1 1 4   -11 4  o 349.346 6.4764  16388.39  605.881   16773.68  857.039   16003.46  856.651   353.461 9.0525  345.231 9.2642  8.230896       12.95271 
1 1 1 4   -11 5  o 153.882 3.0468  3173.57   125.537   3071.53   177.230   3276.33   177.844   151.398 4.3705  156.367 4.2462  -4.968430      6.093577 
1 1 1 4   -11 6  o 315.422 5.8617  13352.61  495.223   13274.06  700.034   13431.30  700.669   314.491 8.3104  316.352 8.2690  -1.860626      11.72343 
1 1 1 4   -11 7  o 164.071 3.2122  3607.45   141.163   3587.44   199.381   3627.56   199.889   163.615 4.5496  164.528 4.5359  -0.9125977     6.424405 
1 1 1 4   -11 8  o 390.623 7.2455  20502.12  758.069   20374.72  1071.79   20629.66  1072.35   389.405 10.276  391.841 10.217  -2.435944      14.49097 
1 1 1 4   -11 9  o 187.552 3.6616  4714.89   183.941   4682.25   260.044   4747.57   260.221   186.902 5.1945  188.202 5.1621  -1.300247      7.323293 
1 1 1 4   -11 10 o 116.198 2.4281  1808.91   75.570    1812.85   107.055   1805.01   106.689   116.324 3.4360  116.072 3.4317  0.2518082      4.856136 
1 1 1 4   -11 11 o 457.151 8.4457  28120.25  1034.11   27853.58  1462.72   28386.72  1462.19   454.974 12.003  459.328 11.885  -4.354858      16.89131 
1 1 1 4   -11 12 o 230.261 4.4030  7109.99   271.551   7136.61   384.840   7083.58   383.227   230.690 6.2282  229.831 6.2253  0.8585052      8.805932 
1 1 1 4   -11 13 o 132.880 2.7521  2365.83   97.945    2379.14   139.537   2352.90   137.516   133.248 3.9097  132.512 3.8744  0.7363281      5.504259 
1 1 1 4   -11 14 o 76.461  1.9950  783.214   40.835    782.717   58.732    783.680   56.814    76.437  2.8687  76.485  2.7733  -0.4781342E-01 3.990049 
1 1 1 4   -11 15 o 473.235 8.7330  30197.31  1106.92   29936.54  1566.16   30457.59  1564.68   471.178 12.410  475.292 12.291  -4.113708      17.46600 
1 1 1 4   -11 16 o 107.134 2.4002  1537.98   68.872    1550.58   97.920    1525.64   96.888    107.569 3.3986  106.700 3.3901  0.8685913      4.800357 
1 1 1 4   -11 17 o 59.334  1.8526  471.625   29.438    483.717   41.885    459.821   41.382    60.086  2.6026  58.582  2.6373  1.503323       3.705234 
1 1 1 4   -11 18 o 152.967 3.1309  3138.78   128.277   3145.81   181.437   3131.76   181.386   153.139 4.4234  152.796 4.4320  0.3428192      6.261719 
1 1 1 4   -11 19 o 56.609  1.8690  429.481   28.337    434.876   40.187    424.145   39.965    56.963  2.6339  56.256  2.6523  0.7075539      3.737924 
1 1 1 4   -11 20 o 240.812 4.6273  7809.80   298.465   7759.09   421.658   7860.71   422.529   240.026 6.5586  241.598 6.5294  -1.572662      9.254662 
1 1 1 4   -11 21 o 178.592 3.5767  4288.46   171.078   4214.64   241.336   4363.04   242.549   177.043 5.0893  180.141 5.0269  -3.098740      7.153323 
1 1 1 4   -11 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -11 23 o 142.862 3.0219  2743.01   115.631   2716.30   162.738   2770.24   164.328   142.160 4.2739  143.564 4.2734  -1.404388      6.043866 
1 1 1 4   -11 24 o 46.421  1.9039  290.004   23.568    289.633   33.053    290.387   33.615    46.392  2.6713  46.449  2.7137  -0.5701828E-01 3.807879 
1 1 1 4   -11 25 o 23.055  2.3522  72.872    14.094    74.184    19.681    71.491    20.192    23.285  3.2438  22.825  3.4072  0.4596863      4.704337 
1 1 1 4   -11 26 o 56.478  2.0627  428.953   31.112    435.838   43.258    421.575   44.780    56.991  2.8338  55.965  2.9982  1.026459       4.125496 
1 1 1 4   -11 27 o 111.218 2.6247  1663.29   78.147    1698.99   109.512   1626.25   111.548   112.442 3.6362  109.993 3.7862  2.448883       5.249500 
1 1 1 4   -11 28 o 173.035 3.5782  4040.64   165.768   4149.11   233.397   3930.23   235.479   175.402 4.9679  170.668 5.1512  4.733780       7.156468 
1 1 1 4   -11 29 o 109.360 2.6026  1608.25   76.218    1581.92   106.451   1635.95   109.179   108.444 3.6648  110.276 3.6963  -1.832375      5.205183 
1 1 1 4   -11 30 o 111.639 2.5493  1674.71   76.127    1802.87   110.120   1557.39   105.357   115.731 3.5524  107.547 3.6574  8.183533       5.098682 
1 1 1 4   -11 31 f 52.653  1.9856  367.714   27.677    444.454   41.941    308.515   36.837    57.499  2.7233  47.808  2.8903  9.691170       3.971151 
1 1 1 4   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -11 33 o 70.007  2.1017  659.719   39.286    679.221   58.244    643.441   53.214    70.938  3.0654  69.076  2.8761  1.861519       4.203409 
1 1 1 4   -11 34 o 30.884  2.2891  137.079   17.575    100.633   26.862    164.359   23.240    26.943  3.8300  34.825  2.5082  -7.882191      4.578187 
1 1 1 4   -11 35 o 73.906  2.2603  752.092   44.035    663.387   65.301    826.069   59.634    69.710  3.5086  78.103  2.8506  -8.393112      4.520639 
1 1 1 4   -11 36 o 24.711  2.3548  85.773    14.672    80.084    23.439    89.438    18.813    23.894  3.7888  25.528  2.7973  -1.633753      4.709544 
1 1 1 4   -11 37 o 52.707  2.1101  382.234   29.256    360.159   44.597    398.912   38.763    51.220  3.2678  54.194  2.6704  -2.974312      4.220139 
1 1 1 4   -11 38 o 35.006  2.1891  165.601   20.063    190.675   31.544    148.567   26.000    37.168  3.1997  32.843  2.9883  4.325531       4.378117 
1 1 1 4   -11 39 o 24.062  2.5820  80.872    15.810    87.438    25.291    76.659    20.256    24.763  3.9454  23.360  3.3318  1.402510       5.164030 
1 1 1 4   -11 40 o 41.221  2.2189  231.712   23.905    260.389   38.193    213.243   30.651    43.195  3.3267  39.246  2.9371  3.949577       4.437721 
1 1 1 4   -11 41 o 38.473  2.3513  207.988   23.154    210.140   37.986    206.716   29.207    38.384  3.7423  38.563  2.8478  -0.1786041     4.702633 
1 1 1 4   -11 42 o 27.493  2.6866  101.414   18.442    151.925   31.432    74.897    22.774    32.437  3.6830  22.550  3.9125  9.887655       5.373263 
1 1 1 4   -11 43 o 9.0542  2.6851  -3.6079   11.000    17.274    19.286    -13.6769  13.392    11.765  4.4560  6.3438  2.9973  5.420923       5.370244 
1 1 1 4   -11 44 o 18.990  3.3469  57.469    16.381    59.992    27.976    56.152    20.207    18.918  5.3060  19.062  4.0809  -0.1441536     6.693843 
1 1 1 4   -11 45 o 9.7640  2.9528  5.3789    13.311    -0.6398   23.359    8.2732    16.198    9.8792  4.3936  9.6488  3.9462  0.2303658      5.905600 
1 1 1 4   -11 46 o 11.825  3.3013  16.197    16.658    -2.3325   25.561    29.876    21.963    10.015  4.5136  13.635  4.8191  -3.620011      6.602697 
1 1 1 4   -11 47 o 11.059  5.0479  -1.0102   33.225    -1.0102   33.225    0.0000    0.0000    11.059  5.0479  ?       ?       ?              ?        
1 1 1 4   -11 48 o 8.1307  3.6970  -3.9338   17.606    0.0000    0.0000    -3.9338   17.606    ?       ?       8.1307  3.6970  ?              ?        
1 1 1 4   -10 0  o 405.355 7.5146  22080.64  815.870   22248.21  1154.32   21913.36  1153.31   406.896 10.591  403.814 10.663  3.082916       15.02916 
1 1 1 4   -10 1  f 545.358 10.041  40078.63  1466.66   39544.68  2074.22   40612.54  2074.12   541.703 14.296  549.013 14.105  -7.310669      20.08253 
1 1 1 4   -10 2  o 382.384 7.1475  19644.94  732.007   19390.24  1035.35   19899.52  1035.08   379.898 10.175  384.871 10.041  -4.972717      14.29502 
1 1 1 4   -10 3  o 368.289 6.8640  18223.51  676.802   18865.39  957.675   17583.06  956.612   374.788 9.5399  361.790 9.8717  12.99820       13.72806 
1 1 1 4   -10 4  o 416.726 7.6712  23345.92  856.130   22869.44  1210.22   23823.24  1211.29   412.454 10.955  420.998 10.742  -8.543762      15.34247 
1 1 1 4   -10 5  o 231.702 4.3845  7198.65   272.105   7212.18   384.623   7185.09   385.007   231.920 6.1917  231.484 6.2095  0.4367828      8.768977 
1 1 1 4   -10 6  o 250.649 4.7103  8425.91   316.221   8499.82   447.050   8351.90   447.358   251.751 6.6297  249.547 6.6929  2.203568       9.420623 
1 1 1 4   -10 7  o 372.478 6.8781  18636.84  686.210   18643.99  970.297   18629.69  970.597   372.550 9.7237  372.406 9.7304  0.1437683      13.75615 
1 1 1 4   -10 8  o 292.416 5.4373  11473.12  425.865   11481.81  602.199   11464.42  602.328   292.527 7.6857  292.305 7.6932  0.2221069      10.87455 
1 1 1 4   -10 9  o 546.151 10.031  40203.58  1467.41   40509.10  2075.59   39898.27  2074.86   548.238 14.135  544.063 14.238  4.174316       20.06262 
1 1 1 4   -10 10 o 340.593 6.3193  15575.76  576.458   15395.52  815.596   15755.69  814.874   338.619 8.9924  342.568 8.8809  -3.948883      12.63854 
1 1 1 4   -10 11 o 239.544 4.5537  7694.75   292.165   7763.09   414.041   7626.97   412.332   240.604 6.4247  238.484 6.4550  2.120193       9.107355 
1 1 1 4   -10 12 o 204.495 3.9058  5605.74   213.924   5688.56   303.590   5524.05   301.490   205.996 5.5022  202.994 5.5450  3.002090       7.811626 
1 1 1 4   -10 13 o 562.319 10.382  42657.36  1563.48   42012.95  2211.64   43301.14  2210.57   558.042 14.796  566.596 14.566  -8.554810      20.76304 
1 1 1 4   -10 14 o 261.823 4.9434  9196.72   346.660   9304.19   491.094   9089.99   489.414   263.350 6.9621  260.297 7.0197  3.052887       9.886740 
1 1 1 4   -10 15 o 410.253 7.5994  22643.41  835.059   22736.97  1181.36   22549.98  1180.54   411.103 10.729  409.402 10.766  1.700378       15.19878 
1 1 1 4   -10 16 o 342.115 6.3692  15732.80  583.624   15597.68  825.329   15867.95  825.408   340.640 9.0457  343.589 8.9689  -2.949310      12.73838 
1 1 1 4   -10 17 f 411.568 7.6345  22831.39  841.560   22544.96  1189.74   23118.21  1190.55   408.969 10.861  414.168 10.732  -5.198364      15.26893 
1 1 1 4   -10 18 o 236.553 4.5373  7515.91   287.484   7530.85   406.243   7500.92   406.884   236.790 6.4052  236.316 6.4282  0.4734192      9.074601 
1 1 1 4   -10 19 o 243.956 4.6762  8002.38   305.558   7973.15   431.552   8031.77   432.700   243.509 6.6165  244.404 6.6098  -0.8945007     9.352430 
1 1 1 4   -10 20 o 86.859  2.1971  1011.66   51.106    1019.88   71.778    1003.20   72.781    87.218  3.0725  86.499  3.1414  0.7183075      4.394149 
1 1 1 4   -10 21 o 58.495  1.9116  459.046   29.928    470.422   41.872    447.164   42.792    59.238  2.6390  57.752  2.7664  1.485752       3.823236 
1 1 1 4   -10 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -10 23 o 94.036  2.3202  1186.53   58.432    1176.91   81.891    1196.51   83.401    93.649  3.2647  94.423  3.2976  -0.7747192     4.640316 
1 1 1 4   -10 24 o 132.251 2.8840  2350.43   102.157   2342.85   143.692   2358.18   145.264   132.037 4.0630  132.465 4.0942  -0.4279022     5.768084 
1 1 1 4   -10 25 o 85.277  2.2599  975.816   51.609    955.204   72.193    997.359   73.805    84.357  3.1951  86.198  3.1967  -1.841240      4.519709 
1 1 1 4   -10 26 o 118.181 2.7158  1877.23   85.955    1887.15   120.753   1867.03   122.381   118.502 3.8044  117.861 3.8766  0.6412048      5.431547 
1 1 1 4   -10 27 o 79.632  2.7397  857.810   55.042    866.280   67.740    841.352   94.426    80.327  3.1485  78.936  4.4846  1.390388       5.479426 
1 1 1 4   -10 28 o 164.683 3.3870  3655.09   149.371   3652.58   213.344   3657.50   209.202   164.617 4.8386  164.749 4.7408  -0.1320496     6.774005 
1 1 1 4   -10 29 o 70.982  2.0883  677.383   39.584    666.302   58.004    687.044   54.155    70.429  3.0748  71.534  2.8265  -1.104469      4.176520 
1 1 1 4   -10 30 o 167.542 3.4082  3791.02   152.878   3950.96   218.943   3638.85   213.561   171.000 4.7802  164.083 4.8592  6.917175       6.816346 
1 1 1 4   -10 31 o 93.403  2.3868  1178.83   59.478    1120.59   86.692    1230.61   81.755    91.188  3.5493  95.617  3.1922  -4.428421      4.773672 
1 1 1 4   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -10 33 o 92.815  2.4041  1169.03   59.484    1107.90   87.023    1222.63   81.496    90.479  3.5908  95.151  3.1977  -4.672028      4.808236 
1 1 1 4   -10 34 o 23.751  2.4456  79.815    14.603    69.580    22.793    86.941    19.018    22.291  3.9627  25.211  2.8674  -2.919891      4.891282 
1 1 1 4   -10 35 o 33.937  2.1294  154.458   18.929    175.934   29.683    139.739   24.574    35.879  3.1197  31.994  2.8990  3.885212       4.258773 
1 1 1 4   -10 36 o 60.171  2.1027  491.975   33.580    498.332   50.725    487.016   44.803    60.426  3.1449  59.916  2.7918  0.5105515      4.205317 
1 1 1 4   -10 37 f 58.012  2.0965  453.077   32.268    507.739   49.569    412.879   42.508    61.024  3.0326  55.000  2.8956  6.023861       4.193048 
1 1 1 4   -10 38 o 13.335  2.9108  25.218    12.276    9.5580    19.866    34.891    15.613    11.083  4.4284  15.588  3.7788  -4.504767      5.821562 
1 1 1 4   -10 39 o 13.038  3.1273  22.679    12.614    20.702    21.929    23.657    15.421    13.090  4.7909  12.987  4.0208  0.1036520      6.254558 
1 1 1 4   -10 40 o 21.052  2.9458  59.712    15.571    87.747    26.465    44.870    19.256    24.621  4.1614  17.482  4.1706  7.138762       5.891556 
1 1 1 4   -10 41 o 17.688  3.0432  40.985    14.329    72.864    24.541    24.496    17.649    22.209  4.2807  13.166  4.3267  9.042353       6.086415 
1 1 1 4   -10 42 o 18.318  3.3362  50.553    15.791    55.001    27.443    48.351    19.308    18.687  5.2602  17.950  4.1051  0.7370949      6.672444 
1 1 1 4   -10 43 f 16.586  3.3373  43.825    15.244    38.809    26.275    46.371    18.716    15.733  5.2827  17.438  4.0796  -1.705001      6.674599 
1 1 1 4   -10 44 o 36.251  2.5165  190.494   23.115    205.052   39.002    182.612   28.698    36.866  4.0146  35.636  3.0354  1.230068       5.033016 
1 1 1 4   -10 45 o 10.710  3.1570  10.210    14.119    8.6759    26.081    10.846    16.792    11.265  4.8301  10.155  4.0666  1.109301       6.314044 
1 1 1 4   -10 46 o 15.147  3.5686  38.314    16.299    37.990    29.752    38.453    19.483    14.979  5.5631  15.314  4.4711  -0.3356247     7.137149 
1 1 1 4   -10 47 o 11.553  5.2918  -0.0856   36.945    -0.0856   36.945    0.0000    0.0000    11.553  5.2918  ?       ?       ?              ?        
1 1 1 4   -10 48 o 24.094  4.2104  96.102    26.183    0.0000    0.0000    96.102    26.183    ?       ?       24.094  4.2104  ?              ?        
1 1 1 4   -9  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -9  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -9  2  o 397.610 10.439  21324.06  1111.54   21847.88  1573.66   20802.49  1570.26   402.515 14.596  392.705 14.928  9.809906       20.87838 
1 1 1 4   -9  3  o 225.211 4.2624  6801.36   257.080   6934.91   363.597   6667.85   363.534   227.425 5.9689  222.998 6.0863  4.427200       8.524733 
1 1 1 4   -9  4  o 214.531 4.0694  6170.36   233.836   6157.91   330.470   6182.84   330.918   214.314 5.7570  214.747 5.7531  -0.4334869     8.138853 
1 1 1 4   -9  5  o 429.832 7.9108  24846.26  910.738   24608.95  1287.57   25083.88  1288.38   427.770 11.238  431.895 11.137  -4.124084      15.82155 
1 1 1 4   -9  6  o 173.542 4.2699  4142.56   184.951   4346.27   227.109   3741.44   318.689   180.082 4.7084  167.003 7.1245  13.07841       8.539753 
1 1 1 4   -9  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -9  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -9  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -9  10 o 394.607 7.3017  20930.32  771.514   20347.62  1091.46   21512.21  1090.71   389.097 10.473  400.116 10.177  -11.01944      14.60332 
1 1 1 4   -9  11 o 256.098 4.8098  8796.80   329.925   8760.28   467.557   8833.02   465.619   255.567 6.8303  256.629 6.7739  -1.062057      9.619682 
1 1 1 4   -9  12 o 392.365 7.2451  20686.55  761.412   20749.56  1077.77   20623.77  1075.83   392.962 10.240  391.767 10.252  1.194580       14.49012 
1 1 1 4   -9  13 o 283.385 5.3222  10775.03  403.968   10708.22  571.726   10841.63  570.868   282.506 7.5556  284.264 7.4976  -1.758301      10.64436 
1 1 1 4   -9  14 o 337.289 6.2836  15276.46  567.672   15259.12  802.941   15293.79  802.679   337.098 8.8928  337.482 8.8798  -0.3840027     12.56713 
1 1 1 4   -9  15 o 310.279 5.8067  12925.08  482.573   12840.51  682.245   13009.76  682.678   309.261 8.2362  311.297 8.1875  -2.036133      11.61335 
1 1 1 4   -9  16 o 199.697 3.9185  5347.87   209.576   5423.88   296.128   5271.60   296.642   201.121 5.4971  198.273 5.5857  2.847382       7.836991 
1 1 1 4   -9  17 o 295.977 5.5854  11769.22  442.717   12015.40  625.765   11522.52  626.427   299.086 7.8114  292.868 7.9856  6.218140       11.17085 
1 1 1 4   -9  18 o 190.082 3.7664  4847.85   191.738   4910.46   270.593   4784.71   271.728   191.318 5.2805  188.847 5.3720  2.471329       7.532705 
1 1 1 4   -9  19 o 119.089 2.6260  1901.43   83.758    1896.67   117.806   1906.29   119.108   118.939 3.6979  119.239 3.7293  -0.3003616     5.251899 
1 1 1 4   -9  20 o 88.732  2.2325  1055.57   53.055    1056.10   74.555    1055.03   75.517    88.755  3.1361  88.709  3.1783  0.4653168E-01  4.465029 
1 1 1 4   -9  21 o 39.125  1.8473  206.149   19.238    207.580   26.848    204.639   27.581    39.269  2.5667  38.981  2.6574  0.2876244      3.694551 
1 1 1 4   -9  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -9  23 o 158.353 3.2806  3372.43   139.107   3448.01   196.136   3295.93   197.325   160.148 4.5724  156.559 4.7056  3.589340       6.561232 
1 1 1 4   -9  24 o 187.454 3.7632  4733.19   188.941   4748.59   266.416   4717.60   267.996   187.765 5.2973  187.142 5.3465  0.6235809      7.526383 
1 1 1 4   -9  25 o 228.614 4.4229  7059.46   270.821   7144.90   384.740   6975.54   381.282   229.987 6.2456  227.240 6.2643  2.747787       8.845848 
1 1 1 4   -9  26 o 140.216 2.9762  2643.67   111.751   2658.21   159.963   2629.80   156.183   140.587 4.2480  139.845 4.1696  0.7423401      5.952416 
1 1 1 4   -9  27 f 133.328 2.8546  2388.11   101.864   2523.92   146.265   2260.20   141.947   137.012 3.9856  129.643 4.0878  7.368591       5.709185 
1 1 1 4   -9  28 o 105.735 2.4586  1498.29   69.438    1663.57   100.779   1348.90   95.810    111.281 3.3811  100.188 3.5703  11.09364       4.917207 
1 1 1 4   -9  29 o 71.636  2.0767  684.963   39.693    774.759   58.527    608.483   54.014    75.962  2.8766  67.311  2.9959  8.650352       4.153311 
1 1 1 4   -9  30 o 97.521  2.3910  1276.26   62.382    1349.17   90.823    1211.14   85.831    100.151 3.3857  94.891  3.3770  5.260109       4.781973 
1 1 1 4   -9  31 o 84.573  2.2697  962.774   51.298    962.058   75.109    963.399   70.229    84.529  3.3174  84.617  3.0987  -0.8777618E-01 4.539475 
1 1 1 4   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -9  33 o 124.295 2.7822  2091.38   92.546    2192.02   134.180   2000.06   127.811   127.140 3.9402  121.450 3.9290  5.690163       5.564371 
1 1 1 4   -9  34 o 40.128  2.0678  220.734   21.716    205.807   33.108    232.005   28.769    38.862  3.2093  41.393  2.6082  -2.530537      4.135517 
1 1 1 4   -9  35 o 92.325  2.4647  1168.68   60.456    1069.49   88.772    1254.48   82.562    88.531  3.7436  96.120  3.2068  -7.588669      4.929338 
1 1 1 4   -9  36 o 115.636 2.7244  1830.48   84.265    1919.58   123.220   1752.20   115.491   118.246 3.8905  113.027 3.8149  5.219307       5.448789 
1 1 1 4   -9  37 o 55.439  2.0827  413.478   30.550    468.509   47.132    373.606   40.119    58.555  3.0154  52.322  2.8737  6.233318       4.165418 
1 1 1 4   -9  38 o 21.686  2.8066  70.929    14.952    52.866    24.175    82.119    19.027    19.024  4.7569  24.347  2.9799  -5.323126      5.613180 
1 1 1 4   -9  39 o 26.903  2.5234  101.780   17.143    101.894   27.913    101.710   21.722    26.745  4.0209  27.060  3.0502  -0.3151360     5.046894 
1 1 1 4   -9  40 o 54.413  5.5155  439.486   79.276    439.486   79.276    0.0000    0.0000    54.413  5.5155  ?       ?       ?              ?        
1 1 1 4   -9  41 o 12.577  3.0955  15.323    12.714    37.521    22.642    5.1012    15.365    15.856  4.8659  9.2984  3.8277  6.557290       6.190990 
1 1 1 4   -9  42 f 35.189  2.4319  169.345   21.984    210.626   36.828    146.492   27.401    38.270  3.6365  32.107  3.2301  6.162697       4.863876 
1 1 1 4   -9  43 o 38.707  2.4074  207.567   24.026    254.951   40.081    180.990   30.017    41.863  3.6098  35.550  3.1862  6.313385       4.814800 
1 1 1 4   -9  44 o 17.992  3.3415  53.499    15.951    46.421    27.792    56.975    19.478    16.672  5.4270  19.312  3.8999  -2.639807      6.682911 
1 1 1 4   -9  45 o 8.9527  2.7557  0.3379    12.768    -21.3749  23.669    9.2497    15.163    8.2782  3.9328  9.6273  3.8611  -1.349030      5.511363 
1 1 1 4   -9  46 o 11.298  3.2335  7.5319    14.265    33.221    26.957    -2.4602   16.812    14.285  5.2973  8.3111  3.7096  5.973879       6.467064 
1 1 1 4   -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -9  48 o 11.891  3.5100  17.807    20.458    -18.1004  37.780    32.704    24.334    10.248  4.8966  13.533  5.0302  -3.285004      7.019910 
1 1 1 4   -8  0  o 184.805 3.6633  4578.50   181.302   4487.80   256.593   4668.92   256.207   182.975 5.2356  186.634 5.1252  -3.659149      7.326591 
1 1 1 4   -8  1  o 374.591 6.9821  18854.77  700.446   18493.02  990.705   19216.32  990.455   370.987 9.9700  378.196 9.7775  -7.209259      13.96430 
1 1 1 4   -8  2  o 388.492 7.1977  20283.61  748.924   20553.01  1059.45   20014.52  1058.83   391.079 10.114  385.905 10.244  5.174103       14.39540 
1 1 1 4   -8  3  o 93.330  2.1233  1168.19   52.999    1240.34   74.866    1095.71   75.037    96.223  2.9048  90.437  3.0977  5.785477       4.246599 
1 1 1 4   -8  4  o 264.002 4.9477  9350.47   349.811   9147.57   494.353   9553.95   495.063   261.129 7.0679  266.875 6.9257  -5.746277      9.895490 
1 1 1 4   -8  5  o 373.542 6.8901  18747.38  689.368   18777.45  974.703   18717.28  975.124   373.843 9.7341  373.241 9.7540  0.6018677      13.78012 
1 1 1 4   -8  6  o 407.082 7.4854  22278.30  816.180   22192.28  1154.09   22364.38  1154.41   406.293 10.605  407.871 10.567  -1.577911      14.97087 
1 1 1 4   -8  7  o 432.512 7.9792  25161.53  924.365   25285.96  1307.44   25037.17  1307.05   433.585 11.258  431.438 11.311  2.147003       15.95843 
1 1 1 4   -8  8  o 303.206 5.6502  12339.02  458.859   12238.38  649.370   12439.37  648.480   301.968 8.0286  304.444 7.9524  -2.475739      11.30046 
1 1 1 4   -8  9  f 817.962 21.846  92504.91  4782.75   88557.80  6761.84   96456.66  6765.81   799.943 31.559  835.981 30.216  -36.03766      43.69138 
1 1 1 4   -8  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -8  11 o 269.563 5.0684  9747.75   365.936   9861.15   518.250   9635.00   516.776   271.128 7.1363  267.997 7.1992  3.131012       10.13684 
1 1 1 4   -8  12 o 429.479 7.9317  24803.56  912.368   24475.80  1290.26   25131.36  1290.31   426.629 11.291  432.328 11.143  -5.698669      15.86346 
1 1 1 4   -8  13 o 431.580 7.9844  25047.62  922.906   25425.07  1305.38   24670.38  1304.99   434.844 11.208  428.316 11.375  6.528076       15.96886 
1 1 1 4   -8  14 o 434.234 8.0169  25359.93  932.352   24961.46  1317.93   25759.14  1319.16   430.806 11.421  437.663 11.253  -6.856598      16.03371 
1 1 1 4   -8  15 o 651.790 12.021  57467.85  2098.49   56468.82  2966.42   58468.62  2969.01   646.065 17.142  657.514 16.858  -11.44916      24.04297 
1 1 1 4   -8  16 o 221.889 4.2729  6602.92   253.949   6597.42   358.559   6608.45   359.719   221.796 6.0356  221.981 6.0500  -0.1845856     8.545809 
1 1 1 4   -8  17 f 82.065  2.1217  902.905   46.605    931.440   65.487    873.622   66.339    83.380  2.9322  80.750  3.0672  2.630760       4.243309 
1 1 1 4   -8  18 o 295.661 5.5811  11748.03  441.982   11709.98  624.509   11786.20  625.606   295.181 7.8988  296.142 7.8870  -0.9606628     11.16225 
1 1 1 4   -8  19 o 144.590 3.0273  2803.72   117.240   2805.95   165.268   2801.47   166.342   144.649 4.2657  144.532 4.2969  0.1168518      6.054643 
1 1 1 4   -8  20 o 350.665 6.5733  16610.06  617.366   16404.84  872.312   16816.02  873.863   348.478 9.3456  352.851 9.2462  -4.372375      13.14657 
1 1 1 4   -8  21 o 187.824 3.7505  4741.83   188.671   4779.22   266.282   4704.13   267.364   188.572 5.2720  187.077 5.3357  1.495316       7.500938 
1 1 1 4   -8  22 o 138.959 3.6043  2583.39   126.803   2556.74   155.344   2636.61   219.508   137.980 4.2033  139.939 5.8563  -1.958221      7.208593 
1 1 1 4   -8  23 o 150.789 4.0103  3131.39   150.147   2873.93   262.278   3256.90   183.122   145.902 6.7114  155.676 4.3917  -9.774536      8.020569 
1 1 1 4   -8  24 o 264.318 5.0677  9452.94   358.758   9393.69   508.954   9511.45   505.782   263.478 7.2118  265.158 7.1215  -1.680267      10.13537 
1 1 1 4   -8  25 o 67.938  2.0439  623.135   36.957    568.891   53.754    671.760   50.894    65.108  3.0824  70.768  2.6850  -5.659729      4.087781 
1 1 1 4   -8  26 o 166.758 3.4374  3747.77   153.400   3618.11   218.784   3873.15   215.144   163.895 4.9838  169.620 4.7355  -5.725189      6.874804 
1 1 1 4   -8  27 o 98.330  2.3951  1298.17   63.022    1305.87   91.239    1291.13   87.154    98.603  3.4546  98.056  3.3183  0.5469437      4.790181 
1 1 1 4   -8  28 o 59.414  2.0168  472.862   32.007    485.562   47.303    462.138   43.468    60.144  2.9363  58.683  2.7654  1.461037       4.033576 
1 1 1 4   -8  29 o 168.631 3.4697  3837.75   156.652   3790.81   224.001   3882.69   219.156   167.600 4.9898  169.662 4.8226  -2.061661      6.939454 
1 1 1 4   -8  30 o 108.058 2.5431  1569.40   73.547    1621.88   106.647   1521.81   101.561   109.773 3.6271  106.342 3.5656  3.431160       5.086224 
1 1 1 4   -8  31 o 63.277  2.1094  542.333   35.411    509.167   52.402    570.208   48.041    61.424  3.1961  65.130  2.7538  -3.705982      4.218815 
1 1 1 4   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -8  33 o 125.174 2.8204  2124.52   94.473    2149.37   136.913   2101.94   130.525   125.843 4.0619  124.506 3.9140  1.337181       5.640747 
1 1 1 4   -8  34 o 78.617  2.2358  838.589   46.814    815.716   69.459    857.627   63.370    77.584  3.3425  79.650  2.9703  -2.066666      4.471579 
1 1 1 4   -8  35 o 13.900  2.7973  28.285    11.601    12.299    19.043    37.720    14.630    11.446  4.4054  16.353  3.4486  -4.906917      5.594687 
1 1 1 4   -8  36 o 29.023  2.2340  110.714   16.546    156.159   26.525    81.772    21.168    33.777  2.9618  24.270  3.3453  9.507420       4.468038 
1 1 1 4   -8  37 o 37.008  2.3182  197.435   21.455    152.877   33.664    227.912   27.842    33.100  3.8702  40.916  2.5532  -7.816021      4.636473 
1 1 1 4   -8  38 o 13.428  3.0313  23.898    12.010    29.740    19.687    20.435    15.157    14.559  4.5488  12.296  4.0080  2.263020       6.062636 
1 1 1 4   -8  39 o 37.530  2.2814  191.857   22.274    212.773   35.808    178.655   28.447    39.086  3.4560  35.974  2.9791  3.111839       4.562780 
1 1 1 4   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -8  41 o 17.290  3.2952  44.683    15.018    45.633    26.106    44.213    18.359    17.301  5.2074  17.279  4.0392  0.2162552E-01  6.590346 
1 1 1 4   -8  42 o 45.197  2.4340  294.654   28.104    277.834   45.547    304.995   35.714    43.721  3.9314  46.673  2.8708  -2.952614      4.867989 
1 1 1 4   -8  43 o 20.796  3.2788  71.016    16.987    56.898    29.973    77.697    20.619    18.545  5.5793  23.048  3.4457  -4.503229      6.557519 
1 1 1 4   -8  44 o 10.673  3.1137  8.4831    12.844    17.441    25.342    5.3866    14.900    12.328  4.9748  9.0187  3.7461  3.308888       6.227471 
1 1 1 4   -8  45 o 7.6953  2.5960  -15.6508  12.379    -14.1446  25.082    -16.1359  14.233    9.0706  4.2264  6.3200  3.0158  2.750643       5.192054 
1 1 1 4   -8  46 o 13.667  3.1293  7.9260    14.285    70.197    28.704    -12.5746  16.469    20.117  5.2656  7.2174  3.3830  12.89974       6.258688 
1 1 1 4   -8  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -8  48 o 13.178  5.7431  27.592    38.078    27.592    38.078    0.0000    0.0000    13.178  5.7431  ?       ?       ?              ?        
1 1 1 4   -7  0  o 307.160 5.7531  12664.26  473.313   12594.70  669.589   12733.73  669.143   306.315 8.1612  308.005 8.1110  -1.690277      11.50618 
1 1 1 4   -7  1  o 402.404 7.4547  21770.78  803.476   21954.10  1136.78   21587.78  1135.80   404.103 10.503  400.706 10.582  3.397339       14.90945 
1 1 1 4   -7  2  o 71.470  1.8452  684.497   35.303    711.677   49.939    657.346   49.912    72.889  2.5579  70.051  2.6601  2.838127       3.690430 
1 1 1 4   -7  3  o 86.076  1.9964  992.498   46.024    974.550   64.881    1010.68   65.296    85.292  2.8400  86.859  2.8066  -1.566872      3.992821 
1 1 1 4   -7  4  o 451.167 8.3224  27399.21  1005.51   28038.15  1422.28   26760.75  1421.73   456.452 11.633  445.882 11.904  10.56973       16.64478 
1 1 1 4   -7  5  o 90.505  2.0364  1097.30   49.364    1089.97   69.702    1104.67   69.922    90.202  2.8850  90.808  2.8747  -0.6061172     4.072754 
1 1 1 4   -7  6  o 466.473 8.5913  29293.36  1073.42   29451.18  1518.25   29135.64  1517.83   467.735 12.119  465.211 12.181  2.524780       17.18253 
1 1 1 4   -7  7  o 191.552 3.7192  4918.70   190.820   4914.53   270.346   4922.84   269.376   191.471 5.2714  191.633 5.2481  -0.1625519     7.438413 
1 1 1 4   -7  8  o 492.596 9.0617  32683.47  1195.46   32105.62  1691.20   33260.57  1690.09   488.219 12.933  496.974 12.697  -8.755310      18.12345 
1 1 1 4   -7  9  o 445.045 8.2039  26649.60  977.822   26177.52  1383.32   27121.04  1382.38   441.086 11.709  449.003 11.494  -7.916473      16.40784 
1 1 1 4   -7  10 o 418.517 7.7313  23552.03  866.672   23506.34  1226.02   23597.67  1225.30   418.109 10.948  418.925 10.920  -0.8157349     15.46264 
1 1 1 4   -7  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -7  12 o 95.149  2.2400  1212.90   57.085    1217.52   80.496    1208.22   80.966    95.332  3.1524  94.967  3.1831  0.3651810      4.479924 
1 1 1 4   -7  13 o 119.154 2.5880  1903.15   82.486    1780.67   116.141   2027.81   117.170   115.283 3.7613  123.026 3.5558  -7.743172      5.175946 
1 1 1 4   -7  14 o 651.563 12.002  57381.56  2094.54   57897.92  2962.04   56865.14  2962.23   654.522 16.896  648.604 17.051  5.918213       24.00424 
1 1 1 4   -7  15 o 320.937 6.0049  13828.44  516.132   13557.66  729.266   14100.20  730.579   317.782 8.5678  324.092 8.4161  -6.309967      12.00986 
1 1 1 4   -7  16 o 182.158 3.6230  4448.12   176.767   4452.76   249.581   4443.46   250.393   182.254 5.1126  182.063 5.1347  0.1913605      7.245959 
1 1 1 4   -7  17 o 415.684 7.7125  23257.90  858.713   23272.00  1213.99   23243.78  1214.82   415.812 10.900  415.557 10.914  0.2549438      15.42502 
1 1 1 4   -7  18 o 299.780 5.6560  12076.44  454.118   11889.65  641.563   12264.00  642.880   297.450 8.0526  302.110 7.9447  -4.660156      11.31204 
1 1 1 4   -7  19 o 74.941  2.0692  752.983   41.514    773.390   58.366    732.088   59.059    75.970  2.8683  73.912  2.9832  2.058174       4.138464 
1 1 1 4   -7  20 o 168.332 4.1315  3772.09   176.265   3700.93   215.742   3914.95   305.694   166.051 4.8507  170.613 6.6894  -4.562027      8.263001 
1 1 1 4   -7  21 f 177.858 3.5515  4249.27   169.179   4324.02   240.596   4176.16   237.935   179.406 5.0068  176.309 5.0384  3.097549       7.103099 
1 1 1 4   -7  22 o 195.225 4.8151  5183.91   236.360   5270.45   289.638   5011.39   408.943   197.928 5.4633  192.521 7.9304  5.407867       9.630149 
1 1 1 4   -7  23 o 28.381  2.5700  110.841   18.720    104.326   28.833    115.589   24.613    27.584  4.0207  29.178  3.2020  -1.593426      5.139906 
1 1 1 4   -7  24 o 136.297 2.9566  2502.67   107.652   2328.57   153.741   2670.16   150.788   131.614 4.3611  140.980 3.9932  -9.365891      5.913146 
1 1 1 4   -7  25 o 128.303 2.7887  2210.48   95.799    2291.98   137.402   2133.39   133.636   130.604 3.9278  126.001 3.9597  4.602959       5.577318 
1 1 1 4   -7  26 o 90.179  2.3260  1097.69   55.879    1002.78   80.817    1184.61   77.346    86.411  3.4918  93.948  3.0737  -7.537407      4.651905 
1 1 1 4   -7  27 o 118.935 2.6844  1899.45   85.478    1956.21   123.108   1846.61   118.777   120.648 3.8096  117.223 3.7830  3.425461       5.368770 
1 1 1 4   -7  28 o 46.727  1.9841  289.819   24.193    384.034   36.433    215.507   32.356    53.504  2.5423  39.950  3.0468  13.55384       3.968120 
1 1 1 4   -7  29 o 165.971 3.3843  3713.34   150.412   3819.64   215.487   3612.34   210.047   168.288 4.7806  163.655 4.7918  4.633041       6.768688 
1 1 1 4   -7  30 o 92.878  2.3294  1154.51   57.708    1314.10   84.599    1015.62   78.920    98.863  3.1948  86.892  3.3909  11.97153       4.658868 
1 1 1 4   -7  31 o 67.669  2.1070  613.864   38.079    642.156   56.485    590.294   51.556    69.086  3.0525  66.252  2.9053  2.834175       4.214081 
1 1 1 4   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -7  33 o 65.106  2.2040  583.659   37.602    494.388   55.888    657.489   50.825    60.359  3.4715  69.853  2.7165  -9.493938      4.408041 
1 1 1 4   -7  34 o 26.825  2.2888  99.976    15.694    93.061    24.524    104.773   20.424    25.934  3.6298  27.717  2.7890  -1.782089      4.577569 
1 1 1 4   -7  35 o 54.356  2.0901  402.049   30.013    394.742   45.736    407.576   39.774    53.823  3.1867  54.889  2.7054  -1.065681      4.180217 
1 1 1 4   -7  36 o 48.821  2.1210  327.358   27.094    313.055   41.979    337.571   35.472    47.803  3.2988  49.838  2.6669  -2.035191      4.242003 
1 1 1 4   -7  37 o 26.651  2.3509  96.506    16.076    108.673   26.036    89.010    20.437    27.931  3.5613  25.372  3.0698  2.559284       4.701703 
1 1 1 4   -7  38 o 54.287  2.1643  402.033   30.977    420.121   48.007    389.130   40.548    55.242  3.2589  53.331  2.8489  1.910954       4.328605 
1 1 1 4   -7  39 o 52.111  2.2730  378.292   30.910    360.209   48.152    390.967   40.312    50.857  3.5573  53.365  2.8304  -2.508091      4.545907 
1 1 1 4   -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -7  41 o 51.555  2.3389  373.691   31.335    374.062   50.002    373.452   40.210    51.299  3.6631  51.810  2.9093  -0.5110588     4.677867 
1 1 1 4   -7  42 o 35.836  2.5332  181.977   23.067    196.014   38.709    174.247   28.725    36.581  4.0168  35.090  3.0877  1.490250       5.066368 
1 1 1 4   -7  43 o 19.218  3.3195  58.455    16.014    56.794    29.213    59.169    19.148    18.534  5.4928  19.902  3.7291  -1.368059      6.639017 
1 1 1 4   -7  44 o 20.706  3.3487  66.679    17.021    75.137    31.085    63.057    20.342    21.067  5.4629  20.344  3.8745  0.7234058      6.697376 
1 1 1 4   -7  45 o 21.358  3.4524  85.110    19.208    48.107    34.642    101.538   23.082    16.539  6.0263  26.176  3.3704  -9.637154      6.904759 
1 1 1 4   -7  46 o 16.834  3.5875  51.033    17.985    35.723    31.704    58.298    21.839    14.707  5.6775  18.962  4.3870  -4.255037      7.174994 
1 1 1 4   -7  47 o 16.038  6.1223  50.590    36.588    50.590    36.588    0.0000    0.0000    16.038  6.1223  ?       ?       ?              ?        
1 1 1 4   -7  48 o 8.3096  4.1011  -45.8063  32.993    -45.8063  32.993    0.0000    0.0000    8.3096  4.1011  ?       ?       ?              ?        
1 1 1 4   -6  0  o 343.854 6.4174  15883.15  591.022   16065.79  836.221   15700.84  835.443   345.835 9.0274  341.874 9.1235  3.961517       12.83482 
1 1 1 4   -6  1  o 64.031  1.8009  549.392   30.877    536.040   43.812    562.568   43.522    63.258  2.5858  64.805  2.5074  -1.546917      3.601800 
1 1 1 4   -6  2  o 291.859 5.4552  11436.44  426.294   11801.80  603.082   11071.60  602.661   296.529 7.5931  287.189 7.8346  9.340240       10.91038 
1 1 1 4   -6  3  o 232.059 4.3951  7222.79   273.176   7146.18   386.077   7299.59   386.582   230.826 6.2445  233.293 6.1866  -2.467697      8.790223 
1 1 1 4   -6  4  o 108.750 2.3216  1584.54   67.622    1592.42   95.493    1576.61   95.772    109.021 3.2702  108.478 3.2961  0.5429840      4.643131 
1 1 1 4   -6  5  o 207.754 4.0023  5787.65   222.696   5881.86   315.083   5693.61   314.798   209.445 5.6165  206.062 5.7035  3.382858       8.004701 
1 1 1 4   -6  6  o 173.228 3.3938  4022.41   157.459   3990.17   223.256   4054.32   222.109   172.536 4.8310  173.919 4.7679  -1.383301      6.787605 
1 1 1 4   -6  7  o 170.151 3.3461  3880.46   152.492   3874.99   216.433   3885.86   214.886   170.032 4.7523  170.271 4.7117  -0.2395630     6.692138 
1 1 1 4   -6  8  o 206.320 3.9788  5708.12   219.835   5591.97   311.370   5823.56   310.421   204.224 5.6922  208.415 5.5607  -4.191406      7.957572 
1 1 1 4   -6  9  o 273.524 5.1357  10037.95  376.244   10129.68  532.227   9946.31   531.952   274.775 7.2315  272.272 7.2942  2.502747       10.27136 
1 1 1 4   -6  10 f 102.115 2.3219  1396.97   63.506    1384.46   89.560    1409.62   90.066    101.656 3.2892  102.575 3.2782  -0.9196320     4.643837 
1 1 1 4   -6  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -6  12 o 890.027 23.963  110281.30 5689.75   99131.91  8035.15   121494.10 8057.95   843.172 35.579  936.882 32.111  -93.71082      47.92640 
1 1 1 4   -6  13 o 234.743 4.4926  7389.46   282.458   7293.72   399.073   7485.56   399.839   233.218 6.3885  236.268 6.3182  -3.050476      8.985126 
1 1 1 4   -6  14 o 59.149  1.8611  469.395   29.432    498.331   41.414    439.869   41.834    60.994  2.5350  57.303  2.7256  3.690262       3.722241 
1 1 1 4   -6  15 o 148.132 3.0744  2940.51   121.982   2938.26   172.128   2942.77   172.893   148.075 4.3399  148.188 4.3559  -0.1131287     6.148861 
1 1 1 4   -6  16 o 349.764 6.5246  16434.60  611.148   16079.92  863.523   16790.54  865.067   345.972 9.3185  353.555 9.1349  -7.583466      13.04913 
1 1 1 4   -6  17 f 211.974 4.1295  6026.13   234.442   5929.15   331.017   6123.73   332.087   210.261 5.8776  213.687 5.8021  -3.426117      8.258985 
1 1 1 4   -6  18 o 61.571  1.9450  514.194   31.609    430.579   45.374    593.026   44.058    56.609  3.0032  66.533  2.4722  -9.924194      3.889921 
1 1 1 4   -6  19 o 220.583 4.2172  6535.95   248.786   6988.91   353.430   6091.08   350.263   228.179 5.7828  212.988 6.1398  15.19135       8.434305 
1 1 1 4   -6  20 o 169.903 3.3989  3873.83   154.666   3937.01   220.084   3812.18   217.402   171.272 4.7975  168.533 4.8160  2.738602       6.797772 
1 1 1 4   -6  21 o 113.219 2.5676  1721.44   77.776    1658.30   111.234   1781.84   108.791   111.180 3.7352  115.258 3.5240  -4.077942      5.135204 
1 1 1 4   -6  22 o 86.473  3.1850  1007.27   73.405    1097.23   104.253   918.813   103.374   90.388  4.3062  82.559  4.6941  7.828766       6.370082 
1 1 1 4   -6  23 o 146.521 3.0478  2885.68   119.556   2834.85   170.692   2934.63   167.508   145.245 4.3876  147.796 4.2314  -2.551437      6.095516 
1 1 1 4   -6  24 o 112.710 2.5494  1705.16   76.936    1723.36   110.529   1688.05   107.157   113.291 3.6425  112.130 3.5679  1.160767       5.098741 
1 1 1 4   -6  25 o 48.398  1.8852  313.655   24.285    337.990   35.874    293.069   32.995    50.127  2.6816  46.669  2.6505  3.457550       3.770453 
1 1 1 4   -6  26 o 77.475  2.1622  806.730   44.752    787.608   65.235    823.730   61.508    76.600  3.1795  78.350  2.9309  -1.750366      4.324311 
1 1 1 4   -6  27 o 205.308 4.0190  5688.96   220.631   6136.09   314.984   5258.27   309.137   213.275 5.5139  197.342 5.8485  15.93320       8.037907 
1 1 1 4   -6  28 o 56.992  2.0007  431.615   30.089    537.962   45.022    345.775   40.449    63.320  2.6546  50.664  2.9940  12.65607       4.001335 
1 1 1 4   -6  29 o 132.799 2.9524  2381.41   104.718   2241.02   150.756   2512.30   145.567   128.973 4.3640  136.625 3.9778  -7.651794      5.904874 
1 1 1 4   -6  30 o 79.330  2.2043  842.324   46.717    898.679   69.159    795.026   63.358    81.756  3.1582  76.904  3.0758  4.851486       4.408516 
1 1 1 4   -6  31 o 73.317  2.1815  722.948   42.682    728.529   63.235    718.278   57.848    73.563  3.2093  73.072  2.9556  0.4903870      4.362920 
1 1 1 4   -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -6  33 o 97.679  2.4728  1292.35   64.477    1278.20   94.879    1304.49   87.891    97.137  3.6467  98.221  3.3408  -1.083878      4.945618 
1 1 1 4   -6  34 f 46.013  2.0603  287.976   24.940    283.397   38.246    291.364   32.897    45.641  3.1478  46.384  2.6590  -0.7425880     4.120501 
1 1 1 4   -6  35 o 34.643  2.1834  166.809   19.497    150.738   30.358    178.090   25.435    33.092  3.4769  36.193  2.6420  -3.100307      4.366821 
1 1 1 4   -6  36 o 89.344  2.3923  1085.15   57.041    1146.35   85.163    1035.35   76.816    91.572  3.4721  87.116  3.2921  4.456718       4.784697 
1 1 1 4   -6  37 o 28.124  2.3837  109.387   17.146    111.501   27.542    108.049   21.909    28.238  3.7329  28.010  2.9654  0.2287292      4.767453 
1 1 1 4   -6  38 o 20.815  2.8269  60.928    14.664    66.045    24.634    58.120    18.250    21.352  4.4517  20.279  3.4856  1.073093       5.653873 
1 1 1 4   -6  39 o 38.302  2.3844  209.422   23.105    183.981   37.171    225.441   29.496    36.096  3.9070  40.508  2.7345  -4.411911      4.768866 
1 1 1 4   -6  40 o 29.647  2.9463  135.444   20.529    101.326   34.433    154.260   25.571    25.962  5.1336  33.332  2.8929  -7.370428      5.892584 
1 1 1 4   -6  41 o 42.744  2.4539  260.789   26.818    251.462   43.605    266.464   34.012    41.781  3.9430  43.707  2.9221  -1.925407      4.907753 
1 1 1 4   -6  42 o 13.829  3.3095  26.898    13.879    31.783    24.481    24.584    16.849    14.675  5.0948  12.983  4.2255  1.692029       6.619015 
1 1 1 4   -6  43 o 36.985  2.5500  196.030   23.895    215.189   40.564    185.848   29.570    37.942  4.0541  36.028  3.0943  1.914387       5.100040 
1 1 1 4   -6  44 o 34.350  2.7665  176.825   23.390    179.130   40.449    175.667   28.670    33.833  4.5813  34.867  3.1024  -1.033573      5.532937 
1 1 1 4   -6  45 o 34.001  2.7699  171.351   23.593    191.283   40.549    161.150   29.009    34.910  4.4367  33.092  3.3174  1.817890       5.539790 
1 1 1 4   -6  46 o 25.105  6.0861  116.590   40.501    116.590   40.501    0.0000    0.0000    25.105  6.0861  ?       ?       ?              ?        
1 1 1 4   -6  47 o 16.429  5.8746  53.117    32.729    53.117    32.729    0.0000    0.0000    16.429  5.8746  ?       ?       ?              ?        
1 1 1 4   -5  0  o 25.015  1.5402  84.616    10.191    78.637    14.482    90.480    14.343    24.123  2.2680  25.906  2.0846  -1.783634      3.080500 
1 1 1 4   -5  1  f 273.392 5.1696  10031.63  378.549   10126.41  535.651   9937.07   535.048   274.684 7.2805  272.099 7.3414  2.584930       10.33928 
1 1 1 4   -5  2  o 309.288 5.7519  12846.11  476.461   12652.38  673.466   13040.25  674.170   306.948 8.1915  311.629 8.0769  -4.681061      11.50374 
1 1 1 4   -5  3  o 50.746  1.5224  344.928   20.692    344.129   29.143    345.741   29.383    50.686  2.1466  50.805  2.1593  -0.1184959     3.044756 
1 1 1 4   -5  4  o 275.432 5.1905  10182.03  382.916   10105.48  541.500   10258.59  541.550   274.395 7.3677  276.470 7.3131  -2.075378      10.38099 
1 1 1 4   -5  5  o 388.578 7.1739  20305.13  746.601   20022.21  1056.33   20587.52  1055.38   385.862 10.221  391.295 10.070  -5.432953      14.34781 
1 1 1 4   -5  6  o 32.519  1.4704  142.047   12.729    150.356   18.340    134.325   17.681    33.441  2.0575  31.598  2.1010  1.843039       2.940717 
1 1 1 4   -5  7  o 289.713 5.4384  11265.67  422.004   11168.53  596.931   11362.73  596.677   288.462 7.7259  290.965 7.6561  -2.502930      10.87682 
1 1 1 4   -5  8  o 197.003 3.8160  5203.05   201.354   5164.73   284.491   5241.51   285.026   196.276 5.4114  197.731 5.3817  -1.454727      7.631939 
1 1 1 4   -5  9  o 208.792 4.0478  5846.15   226.274   5638.02   319.547   6055.46   320.453   205.060 5.8179  212.523 5.6295  -7.463699      8.095616 
1 1 1 4   -5  10 o 399.422 7.4056  21447.34  792.203   21076.28  1119.80   21819.12  1120.89   395.951 10.559  402.893 10.387  -6.942017      14.81124 
1 1 1 4   -5  11 o 671.327 12.416  60997.50  2231.38   58676.57  3153.68   63324.21  3157.60   658.408 17.883  684.247 17.229  -25.83832      24.83193 
1 1 1 4   -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -5  13 o 325.114 6.0803  14189.31  529.459   14031.61  748.307   14347.39  749.229   323.301 8.6414  326.927 8.5561  -3.625305      12.16060 
1 1 1 4   -5  14 o 381.885 7.0910  19594.91  725.163   19115.20  1024.76   20076.08  1026.32   377.189 10.143  386.581 9.9118  -9.392181      14.18190 
1 1 1 4   -5  15 o 270.497 5.1213  9817.40   370.975   9606.98   525.333   10026.70  523.946   267.600 7.3292  273.394 7.1550  -5.794189      10.24263 
1 1 1 4   -5  16 f 351.009 6.5101  16551.45  611.912   17012.99  866.761   16092.85  863.995   355.901 9.0925  346.117 9.3196  9.783661       13.02030 
1 1 1 4   -5  17 o 176.592 3.5053  4180.12   165.782   4270.28   235.664   4091.79   233.258   178.478 4.9297  174.706 4.9847  3.771790       7.010647 
1 1 1 4   -5  18 o 125.197 2.7398  2105.53   91.652    1957.12   130.604   2249.54   128.648   120.837 4.0352  129.558 3.7072  -8.721603      5.479658 
1 1 1 4   -5  19 o 350.198 6.5612  16524.55  615.350   16235.56  871.345   16812.07  869.132   347.122 9.3717  353.274 9.1851  -6.151581      13.12232 
1 1 1 4   -5  20 o 40.742  1.7651  222.006   18.969    269.258   27.943    181.615   25.834    44.766  2.3386  36.718  2.6445  8.048065       3.530207 
1 1 1 4   -5  21 o 44.246  1.7940  262.953   21.137    268.298   30.915    258.260   28.965    44.665  2.5953  43.827  2.4776  0.8378181      3.588075 
1 1 1 4   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -5  23 f 156.984 3.2151  3311.30   135.110   3471.56   192.963   3157.17   189.239   160.717 4.4825  153.251 4.6102  7.465866       6.430145 
1 1 1 4   -5  24 o 151.391 3.1420  3080.86   127.389   3108.97   182.069   3053.89   178.302   152.064 4.4701  150.718 4.4167  1.346161       6.284076 
1 1 1 4   -5  25 f 202.285 3.9468  5517.47   213.468   5951.96   304.488   5097.50   299.357   210.159 5.4092  194.412 5.7488  15.74751       7.893549 
1 1 1 4   -5  26 o 190.378 3.8297  4889.27   195.155   4750.97   278.268   5023.13   273.769   187.700 5.5349  193.057 5.2943  -5.357803      7.659304 
1 1 1 4   -5  27 o 164.031 3.3509  3620.17   147.099   3836.82   210.895   3414.90   205.278   168.821 4.6639  159.242 4.8128  9.579239       6.701890 
1 1 1 4   -5  28 o 102.556 2.4613  1412.37   67.531    1429.11   98.185    1397.35   93.029    103.125 3.5546  101.987 3.4055  1.138222       4.922700 
1 1 1 4   -5  29 o 146.454 3.1277  2891.18   122.612   2876.26   176.376   2905.14   170.568   146.071 4.5080  146.838 4.3368  -0.7674255     6.255417 
1 1 1 4   -5  30 o 91.396  2.3574  1123.90   57.580    1122.76   84.286    1124.90   78.846    91.338  3.4452  91.453  3.2188  -0.1151810     4.714890 
1 1 1 4   -5  31 o 92.340  2.4046  1147.75   59.371    1168.73   86.864    1129.35   81.336    93.117  3.4827  91.562  3.3165  1.555008       4.809188 
1 1 1 4   -5  32 o 131.650 2.9129  2345.23   102.626   2423.93   148.983   2274.18   141.572   133.734 4.1592  129.566 4.0794  4.167603       5.825827 
1 1 1 4   -5  33 o 57.373  2.0405  436.894   30.942    538.444   47.153    360.096   41.006    63.185  2.7862  51.561  2.9819  11.62338       4.080959 
1 1 1 4   -5  34 o 25.089  2.3319  84.773    14.973    96.523    24.296    77.578    19.012    26.431  3.5193  23.747  3.0602  2.683994       4.663757 
1 1 1 4   -5  35 o 65.286  2.2155  583.744   38.182    552.042   57.782    608.315   50.870    63.573  3.4057  66.999  2.8347  -3.425606      4.431078 
1 1 1 4   -5  36 o 35.442  2.1675  170.365   20.045    182.359   31.710    162.383   25.870    36.416  3.2865  34.468  2.8270  1.947765       4.335081 
1 1 1 4   -5  37 o 46.007  2.1336  286.815   25.798    308.718   40.454    271.802   33.491    47.412  3.2043  44.602  2.8179  2.809586       4.267107 
1 1 1 4   -5  38 o 16.548  2.8836  44.024    13.875    13.051    23.116    61.466    17.347    12.154  4.8021  20.942  3.1937  -8.787904      5.767121 
1 1 1 4   -5  39 o 40.537  3.7546  231.066   40.304    231.066   40.304    0.0000    0.0000    40.537  3.7546  ?       ?       ?              ?        
1 1 1 4   -5  40 o 31.219  2.5028  135.258   19.961    149.781   32.977    126.861   25.076    32.359  3.8824  30.079  3.1597  2.279570       5.005639 
1 1 1 4   -5  41 o 33.401  2.5131  150.522   21.420    198.081   36.350    125.223   26.511    37.162  3.7011  29.641  3.4008  7.520412       5.026293 
1 1 1 4   -5  42 o 46.761  2.6024  330.093   30.234    264.175   48.602    371.704   38.615    42.041  4.3804  51.480  2.8111  -9.439053      5.204803 
1 1 1 4   -5  43 o 19.052  3.3343  49.660    16.262    87.161    29.831    33.802    19.398    23.375  4.9202  14.728  4.5012  8.647174       6.668550 
1 1 1 4   -5  44 o 27.200  3.2503  120.140   20.991    104.853   36.370    127.775   25.703    24.853  5.5980  29.546  3.3045  -4.692780      6.500571 
1 1 1 4   -5  45 o 26.658  3.3229  109.415   21.433    128.885   38.563    100.712   25.781    27.624  5.4054  25.691  3.8664  1.933142       6.645820 
1 1 1 4   -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -5  47 o 12.065  5.3034  14.827    33.094    14.827    33.094    0.0000    0.0000    12.065  5.3034  ?       ?       ?              ?        
1 1 1 4   -4  0  o 483.572 8.9508  31529.94  1159.29   31162.25  1639.41   31897.68  1639.55   480.733 12.732  486.411 12.584  -5.677704      17.90166 
1 1 1 4   -4  1  o 127.414 2.6866  2175.50   91.686    2173.65   129.734   2177.35   129.594   127.360 3.8030  127.468 3.7957  -0.1084442     5.373148 
1 1 1 4   -4  2  o 329.435 6.1272  14581.35  540.638   14699.57  764.431   14463.03  764.726   330.775 8.6281  328.094 8.7020  2.681000       12.25434 
1 1 1 4   -4  3  o 214.138 4.0647  6150.02   233.115   6248.66   329.780   6051.51   329.568   215.856 5.7039  212.419 5.7924  3.437027       8.129375 
1 1 1 4   -4  4  o 46.291  1.5247  286.664   18.884    306.237   27.202    268.458   26.235    47.814  2.1240  44.768  2.1879  3.046612       3.049325 
1 1 1 4   -4  5  o 205.539 3.9470  5665.45   217.244   5825.29   307.856   5506.90   306.606   208.430 5.5144  202.648 5.6487  5.782349       7.894086 
1 1 1 4   -4  6  o 328.493 6.1281  14494.58  539.178   14609.67  762.386   14379.41  762.640   329.802 8.6305  327.184 8.7024  2.617371       12.25628 
1 1 1 4   -4  7  o 250.580 4.7592  8423.56   319.425   8381.71   451.497   8465.51   451.973   249.956 6.7438  251.204 6.7173  -1.248093      9.518432 
1 1 1 4   -4  8  o 119.379 2.5843  1909.73   82.623    1943.10   116.712   1876.22   116.981   120.424 3.6184  118.333 3.6908  2.091713       5.168612 
1 1 1 4   -4  9  o 491.211 9.0836  32507.41  1194.63   31406.38  1688.41   33611.20  1690.52   482.834 13.055  499.589 12.633  -16.75427      18.16716 
1 1 1 4   -4  10 o 577.025 10.648  44936.04  1645.66   44783.33  2326.97   45088.83  2327.67   576.037 15.082  578.013 15.035  -1.975281      21.29556 
1 1 1 4   -4  11 o 242.139 4.6275  7863.41   300.122   7894.16   424.182   7832.59   424.691   242.614 6.5275  241.664 6.5610  0.9497833      9.255012 
1 1 1 4   -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -4  13 o 143.931 2.9700  2775.69   114.493   2808.10   162.769   2743.96   161.078   144.762 4.1979  143.099 4.2025  1.663086       5.939970 
1 1 1 4   -4  14 o 194.847 3.7930  5098.66   197.165   5661.52   280.248   4547.03   277.440   205.524 5.0909  184.171 5.6242  21.35300       7.586053 
1 1 1 4   -4  15 o 642.006 11.791  55697.28  2027.43   56617.10  2868.96   54779.69  2865.48   647.345 16.546  636.667 16.803  10.67810       23.58243 
1 1 1 4   -4  16 o 189.293 3.8528  4823.73   194.203   4233.15   275.104   5410.38   274.187   177.683 5.7805  200.903 5.0953  -23.21947      7.705581 
1 1 1 4   -4  17 o 395.318 7.3357  21022.46  776.734   20912.48  1099.55   21132.02  1097.39   394.280 10.412  396.356 10.337  -2.076874      14.67149 
1 1 1 4   -4  18 o 327.926 6.0966  14460.29  535.257   14997.74  758.672   13927.64  755.274   334.015 8.4801  321.837 8.7615  12.17749       12.19327 
1 1 1 4   -4  19 o 328.296 6.1599  14513.52  541.631   14728.15  767.524   14300.61  764.450   330.724 8.6644  325.869 8.7582  4.854828       12.31983 
1 1 1 4   -4  20 o 215.396 4.1902  6235.14   241.737   6233.73   343.306   6236.53   340.448   215.369 5.9513  215.424 5.9002  -0.5488586E-01 8.380341 
1 1 1 4   -4  21 o 240.497 4.6565  7789.22   299.950   7807.37   425.804   7771.34   422.600   240.771 6.6026  240.222 6.5679  0.5491180      9.313009 
1 1 1 4   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -4  23 o 62.126  2.0335  527.283   33.147    429.961   48.128    615.109   45.720    56.520  3.1922  67.733  2.5201  -11.21310      4.067037 
1 1 1 4   -4  24 o 169.842 3.5081  3887.51   159.358   3691.96   227.211   4076.83   223.566   165.605 5.1223  174.078 4.7948  -8.473557      7.016298 
1 1 1 4   -4  25 o 186.992 3.7059  4708.99   185.583   4811.42   264.919   4610.29   260.058   188.990 5.2334  184.995 5.2483  3.995377       7.411716 
1 1 1 4   -4  26 o 102.213 2.4493  1398.89   66.925    1527.89   97.359    1283.33   92.149    106.672 3.4075  97.754  3.5194  8.917923       4.898696 
1 1 1 4   -4  27 o 67.068  2.0806  600.746   37.281    647.818   55.134    561.092   50.604    69.476  2.9627  64.660  2.9218  4.815651       4.161113 
1 1 1 4   -4  28 o 115.974 2.6547  1808.47   82.373    1804.63   119.276   1811.98   113.896   115.845 3.8440  116.102 3.6625  -0.2575150     5.309489 
1 1 1 4   -4  29 o 56.837  2.0298  432.299   30.712    456.218   46.065    413.160   41.207    58.204  2.9646  55.471  2.7734  2.733261       4.059699 
1 1 1 4   -4  30 o 44.740  2.0840  272.881   24.442    253.212   37.195    287.829   32.426    43.264  3.2331  46.215  2.6304  -2.950825      4.167954 
1 1 1 4   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -4  32 o 65.967  2.1362  586.808   37.508    585.930   56.248    587.510   50.331    65.897  3.1868  66.036  2.8456  -0.1386948     4.272309 
1 1 1 4   -4  33 o 139.076 3.0862  2638.06   114.835   2646.64   166.507   2630.29   158.585   139.232 4.4648  138.919 4.2620  0.3130188      6.172444 
1 1 1 4   -4  34 o 63.120  2.1348  537.798   35.821    554.482   54.434    525.055   47.573    63.941  3.1783  62.298  2.8510  1.643723       4.269663 
1 1 1 4   -4  35 o 62.321  2.1782  528.554   35.940    527.876   54.661    529.070   47.701    62.181  3.2937  62.462  2.8512  -0.2816887     4.356330 
1 1 1 4   -4  36 o 77.127  2.3578  817.733   48.175    774.123   72.539    852.146   64.438    75.148  3.6039  79.107  3.0411  -3.958755      4.715538 
1 1 1 4   -4  37 o 54.000  2.1846  397.290   31.078    414.737   48.273    384.939   40.615    54.924  3.2966  53.076  2.8676  1.848427       4.369285 
1 1 1 4   -4  38 o 46.362  2.2687  298.269   27.337    289.147   43.149    304.386   35.332    45.604  3.5607  47.119  2.8123  -1.515198      4.537420 
1 1 1 4   -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -4  40 o 11.874  3.0422  5.9193    12.658    38.836    24.036    -6.7118   14.890    16.148  5.0231  7.6003  3.4333  8.548025       6.084389 
1 1 1 4   -4  41 o 61.208  2.4377  534.544   38.835    514.358   61.316    548.065   50.184    59.779  3.8500  62.637  2.9912  -2.857834      4.875388 
1 1 1 4   -4  42 o 11.154  2.9657  2.6138    12.217    36.331    23.333    -10.1210  14.339    15.323  4.9718  6.9853  3.2344  8.337264       5.931321 
1 1 1 4   -4  43 o 19.580  3.3574  52.340    16.568    92.042    30.930    36.365    19.620    23.950  4.9838  15.211  4.4999  8.738503       6.714750 
1 1 1 4   -4  44 o 13.608  3.5045  26.316    15.328    32.937    28.946    23.736    18.070    14.596  5.4741  12.620  4.3773  1.975975       7.009018 
1 1 1 4   -4  45 o 15.920  3.5540  32.756    16.535    72.715    31.059    16.952    19.533    20.371  5.5440  11.469  4.4484  8.902387       7.108021 
1 1 1 4   -4  46 o 27.609  3.4299  119.882   22.380    148.394   42.269    108.776   26.381    28.767  5.6874  26.452  3.8353  2.314960       6.859700 
1 1 1 4   -4  47 o 12.879  5.5327  24.744    34.336    24.744    34.336    0.0000    0.0000    12.879  5.5327  ?       ?       ?              ?        
1 1 1 4   -3  0  o 573.165 10.550  44424.83  1619.67   44549.91  2290.94   44299.84  2290.19   573.979 14.901  572.352 14.939  1.627075       21.10037 
1 1 1 4   -3  1  o 661.276 12.355  59393.89  2185.54   62861.96  3092.81   55934.73  3088.83   680.826 16.960  641.727 17.970  39.09857       24.70981 
1 1 1 4   -3  2  o 93.214  2.0899  1164.19   52.170    1139.29   73.727    1189.15   73.833    92.215  2.9849  94.212  2.9259  -1.996857      4.179775 
1 1 1 4   -3  3  o 233.858 4.4438  7338.48   278.279   7167.40   394.325   7508.21   392.770   231.137 6.3694  236.579 6.1983  -5.442627      8.887514 
1 1 1 4   -3  4  f 256.169 4.8469  8806.19   332.562   8738.94   470.111   8873.55   470.516   255.189 6.8778  257.150 6.8312  -1.961395      9.693804 
1 1 1 4   -3  5  o 149.341 3.0450  2990.26   121.739   3102.32   172.124   2878.10   172.205   152.143 4.2238  146.538 4.3874  5.605576       6.090097 
1 1 1 4   -3  6  o 255.107 4.8421  8732.25   330.849   8819.86   467.783   8644.56   468.001   256.390 6.8117  253.824 6.8838  2.565765       9.684278 
1 1 1 4   -3  7  f 384.792 7.1495  19906.65  736.858   20019.44  1041.95   19793.81  1042.20   385.887 10.081  383.697 10.141  2.189484       14.29896 
1 1 1 4   -3  8  o 128.535 2.7149  2219.86   92.933    2513.55   132.208   1933.01   130.659   136.966 3.6038  120.104 4.0616  16.86177       5.429856 
1 1 1 4   -3  9  o 412.326 7.6639  22867.05  846.083   22149.42  1196.67   23584.38  1196.42   405.829 11.009  418.822 10.665  -12.99338      15.32770 
1 1 1 4   -3  10 o 171.411 3.3962  3943.70   155.435   4330.92   220.867   3563.74   218.784   179.765 4.5871  163.057 5.0094  16.70865       6.792315 
1 1 1 4   -3  11 o 342.677 6.3904  15770.55  586.457   15470.16  829.942   16070.12  828.810   339.408 9.1293  345.946 8.9445  -6.537842      12.78079 
1 1 1 4   -3  12 o 256.271 9.6885  8821.88   665.033   0.0000    0.0000    8821.88   665.033   ?       ?       256.271 9.6885  ?              ?        
1 1 1 4   -3  13 o 330.157 6.1231  14632.93  541.423   14906.42  766.807   14361.03  764.574   333.240 8.5909  327.075 8.7274  6.165009       12.24627 
1 1 1 4   -3  14 f 258.174 4.9030  8940.27   338.974   9187.30   480.567   8695.66   478.204   261.727 6.8551  254.620 7.0118  7.107712       9.806059 
1 1 1 4   -3  15 o 79.933  2.0777  855.673   44.274    971.392   63.735    747.760   61.548    85.156  2.7943  74.711  3.0757  10.44444       4.155452 
1 1 1 4   -3  16 o 402.996 7.4708  21837.24  806.395   22034.54  1141.79   21640.88  1139.05   404.818 10.530  401.175 10.600  3.643158       14.94162 
1 1 1 4   -3  17 o 578.554 10.591  45262.43  1640.86   46374.23  2322.69   44154.75  2318.38   585.710 14.805  571.398 15.148  14.31219       21.18167 
1 1 1 4   -3  18 o 380.844 7.0667  19535.82  720.667   20107.59  1021.08   18968.28  1017.29   386.425 9.8652  375.264 10.121  11.16080       14.13341 
1 1 1 4   -3  19 f 304.962 5.7296  12518.84  467.944   12810.35  663.553   12230.45  660.008   308.508 8.0301  301.417 8.1751  7.091034       11.45926 
1 1 1 4   -3  20 o 169.419 3.4078  3852.64   154.617   3948.95   220.341   3759.21   217.021   171.507 4.7965  167.332 4.8421  4.175034       6.815595 
1 1 1 4   -3  21 o 134.099 2.9004  2416.11   104.074   2333.62   148.722   2495.27   145.691   131.846 4.2113  136.352 3.9891  -4.506668      5.800756 
1 1 1 4   -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -3  23 o 76.932  2.1827  802.429   44.491    690.898   64.401    904.254   61.535    71.752  3.3510  82.112  2.7979  -10.36004      4.365464 
1 1 1 4   -3  24 o 104.902 2.4588  1475.05   69.032    1550.59   99.836    1405.86   95.557    107.472 3.4682  102.332 3.4863  5.139801       4.917547 
1 1 1 4   -3  25 o 156.013 3.2808  3277.47   136.977   3187.08   196.043   3363.69   191.468   153.892 4.7561  158.135 4.5204  -4.243301      6.561577 
1 1 1 4   -3  26 o 87.970  2.3469  1045.53   54.946    952.988   79.879    1128.65   75.700    84.237  3.5403  91.703  3.0819  -7.466629      4.693852 
1 1 1 4   -3  27 o 73.955  2.1551  733.981   42.568    736.510   62.664    731.815   58.007    74.067  3.1587  73.843  2.9328  0.2238922      4.310286 
1 1 1 4   -3  28 o 36.516  2.1513  183.969   20.372    155.857   30.530    206.535   27.353    33.888  3.4098  39.144  2.6240  -5.256378      4.302606 
1 1 1 4   -3  29 o 132.930 2.9320  2380.11   104.315   2409.36   150.827   2353.28   144.430   133.700 4.2117  132.160 4.0801  1.539322       5.863905 
1 1 1 4   -3  30 o 60.471  2.1542  498.951   34.301    444.081   51.181    543.694   46.217    57.337  3.3471  63.606  2.7128  -6.269115      4.308417 
1 1 1 4   -3  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -3  32 o 40.214  2.1580  225.201   22.352    189.068   34.246    252.016   29.502    37.236  3.4738  43.191  2.5616  -5.954777      4.316095 
1 1 1 4   -3  33 o 45.054  2.0732  275.324   24.612    276.141   37.671    274.715   32.511    45.069  3.1402  45.038  2.7076  0.3099442E-01  4.146304 
1 1 1 4   -3  34 o 54.519  2.1632  408.607   30.852    376.381   47.523    432.083   40.562    52.506  3.3973  56.531  2.6788  -4.024837      4.326433 
1 1 1 4   -3  35 o 30.315  2.3061  126.734   17.922    125.688   28.732    127.400   22.931    30.111  3.6360  30.519  2.8377  -0.4071865     4.612228 
1 1 1 4   -3  36 o 13.237  2.9934  19.717    11.953    37.700    20.604    10.595    14.675    16.226  4.5546  10.248  3.8856  5.977811       5.986856 
1 1 1 4   -3  37 o 26.473  2.5402  92.961    17.056    124.005   28.350    75.350    21.353    29.795  3.6272  23.150  3.5574  6.644789       5.080488 
1 1 1 4   -3  38 o 48.439  2.2554  323.454   28.437    327.511   45.329    320.821   36.517    48.534  3.5106  48.344  2.8325  0.1899757      4.510780 
1 1 1 4   -3  39 o 44.605  2.3227  274.456   26.889    290.859   43.482    264.299   34.216    45.504  3.5968  43.706  2.9398  1.798176       4.645409 
1 1 1 4   -3  40 o 39.060  2.4519  208.594   24.613    245.953   41.263    187.959   30.666    41.524  3.7504  36.596  3.1595  4.928181       4.903876 
1 1 1 4   -3  41 f 25.960  2.9881  97.956    19.116    107.905   32.935    92.903    23.474    26.584  4.8022  25.336  3.5572  1.248093       5.976157 
1 1 1 4   -3  42 o 34.679  2.8341  182.424   23.995    164.613   40.499    192.059   29.787    32.639  4.7737  36.720  3.0563  -4.080776      5.668275 
1 1 1 4   -3  43 o 12.012  3.2894  13.818    13.927    31.707    26.399    6.9187    16.394    14.442  5.2609  9.5821  3.9503  4.859487       6.578899 
1 1 1 4   -3  44 o 9.4717  2.9927  -0.4418   13.150    -0.0429   27.987    -0.5548   14.897    10.786  4.8023  8.1572  3.5726  2.629071       5.985458 
1 1 1 4   -3  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -3  46 o 23.497  3.6497  86.380    20.784    129.631   39.182    69.445    24.518    26.685  5.6576  20.309  4.6123  6.375719       7.299440 
1 1 1 4   -2  0  o 272.128 7.2521  9940.90   528.598   9940.90   528.598   0.0000    0.0000    272.128 7.2521  ?       ?       ?              ?        
1 1 1 4   -2  1  o 394.997 10.290  20994.13  1088.64   20994.13  1088.64   0.0000    0.0000    394.997 10.290  ?       ?       ?              ?        
1 1 1 4   -2  2  o 198.158 4.7522  5314.08   236.992   5403.29   290.575   5136.84   409.577   200.733 5.4044  195.582 7.8184  5.150497       9.504493 
1 1 1 4   -2  3  o 226.963 4.3618  6911.30   265.098   7084.25   374.882   6738.31   374.929   229.808 6.0903  224.117 6.2458  5.690765       8.723616 
1 1 1 4   -2  4  o 233.654 4.4274  7330.57   276.608   7848.69   392.045   6816.99   390.325   241.896 6.0509  225.413 6.4649  16.48346       8.854798 
1 1 1 4   -2  5  o 95.402  2.2594  1224.12   57.459    1093.58   81.658    1352.15   80.866    90.343  3.3745  100.462 3.0052  -10.11916      4.518710 
1 1 1 4   -2  6  o 353.790 6.5760  16820.39  623.148   16943.21  881.998   16697.97  880.533   355.083 9.2736  352.497 9.3261  2.585876       13.15205 
1 1 1 4   -2  7  f 224.506 4.3002  6760.00   258.531   6942.44   366.391   6579.10   364.850   227.526 6.0121  221.485 6.1501  6.040909       8.600490 
1 1 1 4   -2  8  o 559.054 13.117  43183.41  1831.52   40041.02  3170.45   44757.32  2243.79   542.186 21.831  575.922 14.546  -33.73572      26.23327 
1 1 1 4   -2  9  o 210.878 4.0210  5962.55   227.087   5841.47   320.913   6083.98   321.386   208.732 5.7400  213.025 5.6326  -4.293121      8.041969 
1 1 1 4   -2  10 o 373.130 6.8802  18706.30  687.519   18319.00  971.807   19094.38  972.791   369.251 9.8258  377.009 9.6334  -7.757019      13.76041 
1 1 1 4   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -2  12 o 245.258 4.5804  8066.94   300.856   7906.09   425.176   8228.24   425.773   242.806 6.5376  247.710 6.4172  -4.903595      9.160860 
1 1 1 4   -2  13 o 256.013 4.8970  8791.15   335.777   8910.58   474.775   8671.63   474.944   257.756 6.8769  254.271 6.9736  3.484879       9.794001 
1 1 1 4   -2  14 o 370.673 6.9073  18456.10  685.725   18167.66  969.325   18745.06  970.200   367.766 9.8403  373.581 9.6959  -5.814575      13.81456 
1 1 1 4   -2  15 o 152.811 3.1848  3129.61   130.341   3175.56   184.149   3083.48   184.512   153.935 4.4662  151.686 4.5414  2.249817       6.369610 
1 1 1 4   -2  16 o 687.115 12.633  63981.39  2325.04   63980.16  3287.86   63982.62  3288.34   687.109 17.865  687.122 17.867  -0.1220703E-01 25.26628 
1 1 1 4   -2  17 o 380.221 7.0361  19449.24  716.547   19250.00  1012.97   19648.79  1013.73   378.264 9.9980  382.178 9.9030  -3.914520      14.07230 
1 1 1 4   -2  18 o 268.155 5.0297  9661.21   361.207   9842.65   510.788   9479.73   510.859   270.681 7.0452  265.628 7.1802  5.052917       10.05935 
1 1 1 4   -2  19 o 108.776 2.4549  1586.93   71.488    1643.22   100.964   1530.33   101.236   110.714 3.4047  106.839 3.5377  3.874802       4.909880 
1 1 1 4   -2  20 o 56.418  1.8015  426.561   27.192    399.687   38.129    454.377   38.791    54.609  2.6068  58.227  2.4873  -3.618355      3.603034 
1 1 1 4   -2  21 o 230.055 8.8671  7168.04   546.393   7168.04   546.393   0.0000    0.0000    230.055 8.8671  ?       ?       ?              ?        
1 1 1 4   -2  22 o 69.099  1.9303  640.225   35.726    638.169   50.314    642.316   50.738    68.987  2.7229  69.211  2.7370  -0.2233505     3.860699 
1 1 1 4   -2  23 o 160.855 3.2900  3479.97   141.707   3576.37   200.311   3383.39   200.497   163.095 4.5854  158.615 4.7193  4.479813       6.580045 
1 1 1 4   -2  24 o 248.470 4.8905  8350.36   325.357   8608.50   460.206   8092.40   460.043   252.347 6.8087  244.593 7.0221  7.753937       9.780986 
1 1 1 4   -2  25 o 205.215 4.1219  5681.56   226.545   5769.24   320.370   5593.86   320.395   206.810 5.7835  203.620 5.8746  3.190628       8.243760 
1 1 1 4   -2  26 o 49.822  2.7189  361.663   31.670    275.041   56.565    401.217   38.223    44.952  4.7708  54.692  2.6092  -9.739548      5.437725 
1 1 1 4   -2  27 o 217.737 4.2421  6406.20   247.363   6544.34   353.081   6273.05   346.657   220.044 5.9907  215.430 6.0077  4.614731       8.484108 
1 1 1 4   -2  28 o 196.023 3.9913  5200.19   209.401   5067.97   299.400   5326.79   292.980   193.537 5.7756  198.508 5.5102  -4.971359      7.982502 
1 1 1 4   -2  29 o 31.859  2.1417  134.679   17.853    160.323   27.813    116.709   23.282    34.402  3.0499  29.316  3.0077  5.086687       4.283464 
1 1 1 4   -2  30 o 45.299  5.1515  281.965   61.393    281.965   61.393    0.0000    0.0000    45.299  5.1515  ?       ?       ?              ?        
1 1 1 4   -2  31 o 26.747  2.3036  97.728    15.789    98.598    25.137    97.162    20.291    26.785  3.5944  26.708  2.8820  0.7666969E-01  4.607121 
1 1 1 4   -2  32 o 45.297  2.0393  272.000   24.347    325.781   37.786    233.819   31.838    49.058  2.8884  41.535  2.8795  7.522812       4.078554 
1 1 1 4   -2  33 o 31.475  2.1635  133.622   17.718    144.509   28.094    126.432   22.831    32.492  3.2726  30.459  2.8309  2.033543       4.327068 
1 1 1 4   -2  34 o 20.372  2.7579  67.593    14.218    25.115    22.178    97.231    18.525    14.054  4.8509  26.689  2.6254  -12.63524      5.515839 
1 1 1 4   -2  35 f 51.918  2.1559  369.431   29.366    358.393   45.372    377.388   38.522    51.153  3.3297  52.683  2.7394  -1.530617      4.311723 
1 1 1 4   -2  36 o 52.554  2.1619  372.549   29.883    409.491   47.096    347.653   38.662    54.646  3.2320  50.463  2.8723  4.182846       4.323873 
1 1 1 4   -2  37 o 21.193  2.8261  64.546    14.959    62.721    24.548    65.623    18.866    20.774  4.5387  21.613  3.3687  -0.8387833     5.652297 
1 1 1 4   -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -2  39 o 11.782  3.0211  17.035    12.817    3.0893    21.884    24.316    15.812    10.497  4.4605  13.068  4.0757  -2.570876      6.042118 
1 1 1 4   -2  40 o 10.036  2.9058  5.9227    12.973    -10.8989  22.389    14.425    15.918    9.0926  4.1477  10.978  4.0707  -1.885748      5.811566 
1 1 1 4   -2  41 o 17.438  3.4444  45.985    15.991    52.673    27.864    42.701    19.528    18.160  5.3599  16.716  4.3275  1.443748       6.888851 
1 1 1 4   -2  42 o 23.146  3.3380  89.282    19.010    67.019    32.301    101.079   23.513    19.956  5.7372  26.335  3.4138  -6.378296      6.676025 
1 1 1 4   -2  43 o 14.102  3.4806  30.935    15.833    22.852    29.496    34.207    18.766    13.442  5.3872  14.763  4.4086  -1.321032      6.961114 
1 1 1 4   -2  44 o 10.183  3.1704  2.7419    14.756    2.7835    30.029    2.7287    16.942    11.318  5.0100  9.0477  3.8866  2.270736       6.340792 
1 1 1 4   -2  45 o 22.649  4.3172  112.590   25.560    61.116    75.413    119.271   27.168    17.347  7.7913  27.951  3.7212  -10.60456      8.634361 
1 1 1 4   -2  46 o 12.865  3.2780  26.657    17.596    -19.9525  34.138    43.522    20.535    9.8543  4.6935  15.877  4.5773  -6.022210      6.555953 
1 1 1 4   -1  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -1  1  o 528.931 13.768  37785.22  1950.53   37785.22  1950.53   0.0000    0.0000    528.931 13.768  ?       ?       ?              ?        
1 1 1 4   -1  2  o 311.526 7.0620  12948.98  557.026   12736.09  681.482   13377.51  966.878   307.916 8.2629  315.137 11.455  -7.220520      14.12395 
1 1 1 4   -1  3  o 168.073 3.3693  3786.94   151.677   3803.24   214.296   3770.58   214.712   168.436 4.7500  167.710 4.7798  0.7258606      6.738577 
1 1 1 4   -1  4  o 351.110 6.5253  16570.00  613.630   16365.95  867.465   16774.38  868.144   348.939 9.2814  353.281 9.1745  -4.341949      13.05051 
1 1 1 4   -1  5  o 325.117 6.0454  14198.78  526.401   13975.49  744.109   14422.48  744.779   322.551 8.6129  327.683 8.4856  -5.132080      12.09084 
1 1 1 4   -1  6  o 84.120  2.0605  947.985   46.427    945.201   65.530    950.792   65.786    83.996  2.9127  84.244  2.9154  -0.2480164     4.121083 
1 1 1 4   -1  7  o 346.083 6.4268  16094.69  595.427   16712.34  842.394   15478.01  841.728   352.740 8.9160  339.425 9.2585  13.31476       12.85358 
1 1 1 4   -1  8  o 203.279 3.9832  5540.58   216.846   5429.47   306.431   5652.04   306.902   201.236 5.6851  205.323 5.5805  -4.087448      7.966325 
1 1 1 4   -1  9  o 62.518  1.8065  523.602   30.247    529.808   42.664    517.331   42.887    62.890  2.5327  62.145  2.5765  0.7452049      3.612913 
1 1 1 4   -1  10 o 357.393 6.6571  17155.86  637.252   17012.25  900.932   17299.64  901.490   355.892 9.4511  358.894 9.3779  -3.001495      13.31425 
1 1 1 4   -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -1  12 o 222.078 4.2527  6612.63   252.949   6698.25   357.618   6526.92   357.831   223.518 5.9734  220.637 6.0549  2.880447       8.505476 
1 1 1 4   -1  13 o 255.583 4.8450  8761.36   331.625   8579.14   468.624   8944.14   469.354   252.917 6.9176  258.249 6.7854  -5.331238      9.689935 
1 1 1 4   -1  14 o 79.336  2.0467  843.127   43.490    832.224   61.306    854.172   61.704    78.820  2.9039  79.852  2.8849  -1.032700      4.093334 
1 1 1 4   -1  15 f 283.111 5.3950  10758.82  408.913   11143.42  578.341   10374.36  578.238   288.182 7.4925  278.040 7.7644  10.14166       10.79002 
1 1 1 4   -1  16 o 252.520 4.8334  8557.29   326.829   8782.74   462.126   8331.68   462.284   255.855 6.7434  249.186 6.9262  6.668869       9.666741 
1 1 1 4   -1  17 o 84.950  2.1021  966.922   47.830    969.897   67.459    963.913   67.826    85.082  2.9601  84.819  2.9855  0.2631912      4.204223 
1 1 1 4   -1  18 o 142.068 2.9580  2706.40   112.553   2667.61   158.890   2745.47   159.461   141.046 4.2058  143.091 4.1606  -2.045471      5.915987 
1 1 1 4   -1  19 o 53.918  1.7908  389.956   25.832    409.851   36.427    369.828   36.639    55.304  2.4591  52.532  2.6039  2.771477       3.581562 
1 1 1 4   -1  20 o 294.986 5.6468  11748.33  446.107   11957.15  630.782   11539.36  631.000   297.630 7.9125  292.342 8.0584  5.288544       11.29360 
1 1 1 4   -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -1  22 o 148.647 3.1051  2969.28   123.622   3004.63   174.626   2933.77   175.030   149.538 4.3598  147.757 4.4226  1.780792       6.210262 
1 1 1 4   -1  23 o 203.416 3.9858  5576.12   217.091   5397.90   306.540   5755.44   307.488   200.137 5.7184  206.695 5.5540  -6.558334      7.971629 
1 1 1 4   -1  24 o 151.824 3.1404  3099.52   127.703   3071.50   180.333   3127.70   180.868   151.134 4.4548  152.514 4.4275  -1.380112      6.280772 
1 1 1 4   -1  25 o 68.457  2.0708  628.631   37.963    612.211   53.287    645.553   54.096    67.548  2.9452  69.365  2.9116  -1.816490      4.141507 
1 1 1 4   -1  26 o 145.777 3.0440  2858.42   118.856   2865.32   167.929   2851.50   168.246   145.955 4.2955  145.600 4.3142  0.3550262      6.087994 
1 1 1 4   -1  27 o 142.174 2.9595  2719.96   112.699   2700.98   159.206   2739.01   159.554   141.675 4.1954  142.673 4.1752  -0.9973145     5.918963 
1 1 1 4   -1  28 o 30.037  2.0211  122.245   16.063    121.838   22.563    122.663   22.874    29.988  2.8431  30.086  2.8734  -0.9846115E-01 4.042248 
1 1 1 4   -1  29 o 57.204  1.9612  439.749   30.046    442.505   42.263    436.933   42.723    57.387  2.7495  57.021  2.7973  0.3657532      3.922366 
1 1 1 4   -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -1  31 o 65.326  2.0205  575.714   35.293    612.628   49.823    538.532   50.002    67.444  2.7580  63.208  2.9534  4.236069       4.040968 
1 1 1 4   -1  32 f 73.351  2.6700  719.000   48.307    765.532   88.104    698.998   57.764    74.772  4.4188  71.930  2.9982  2.841827       5.339940 
1 1 1 4   -1  33 o 20.554  2.6791  58.893    13.789    60.869    22.663    57.731    17.375    20.732  4.2245  20.376  3.2960  0.3562355      5.358174 
1 1 1 4   -1  34 o 106.192 2.6514  1538.32   75.164    1590.93   111.661   1494.74   101.639   107.776 3.8680  104.607 3.6275  3.169014       5.302879 
1 1 1 4   -1  35 o 50.403  2.1483  343.155   28.513    370.703   44.572    324.074   37.095    52.045  3.2131  48.762  2.8526  3.282761       4.296697 
1 1 1 4   -1  36 o 47.804  2.2286  312.087   27.875    322.088   43.983    305.374   36.035    48.341  3.4189  47.267  2.8598  1.074551       4.457292 
1 1 1 4   -1  37 o 30.441  2.4199  122.381   18.842    164.067   31.255    98.581    23.616    34.332  3.4452  26.549  3.3991  7.783550       4.839757 
1 1 1 4   -1  38 o 38.650  2.5507  215.727   24.529    189.117   40.593    231.031   30.785    36.363  4.2478  40.937  2.8249  -4.573597      5.101358 
1 1 1 4   -1  39 o 10.056  3.0085  3.9742    12.532    5.1979    24.561    3.5435    14.571    11.232  4.7467  8.8799  3.6978  2.352313       6.017082 
1 1 1 4   -1  40 o 38.237  2.5785  213.719   24.700    194.323   40.668    225.055   31.091    36.376  4.2544  40.098  2.9148  -3.722145      5.157079 
1 1 1 4   -1  41 o 26.255  2.9467  98.849    19.207    119.330   33.180    88.527    23.554    27.959  4.5900  24.552  3.6964  3.406988       5.893330 
1 1 1 4   -1  42 o 16.591  3.2439  30.787    15.440    82.002    29.039    10.601    18.230    22.677  4.9222  10.505  4.2264  12.17142       6.487718 
1 1 1 4   -1  43 f 18.513  3.6505  53.380    17.562    67.073    32.412    47.689    20.895    19.694  5.7718  17.332  4.4713  2.361980       7.301094 
1 1 1 4   -1  44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   -1  45 o 21.697  3.7351  79.079    19.969    92.983    37.463    73.561    23.601    22.044  6.1251  21.350  4.2763  0.6947327      7.470139 
1 1 1 4   0   0  o 586.296 15.397  46520.76  2417.90   46520.76  2417.90   0.0000    0.0000    586.296 15.397  ?       ?       ?              ?        
1 1 1 4   0   1  o 341.167 7.7154  15595.43  665.869   15444.66  815.242   15897.60  1154.11   338.990 8.9786  343.343 12.550  -4.353607      15.43074 
1 1 1 4   0   2  o 363.810 6.7563  17797.19  658.323   17532.11  930.802   18062.50  931.217   361.089 9.6240  366.531 9.4853  -5.442322      13.51265 
1 1 1 4   0   3  o 70.420  1.8980  664.330   35.800    662.343   50.615    666.319   50.641    70.315  2.6875  70.525  2.6808  -0.2107773     3.795980 
1 1 1 4   0   4  o 251.452 4.7604  8484.29   320.573   8651.08   453.443   8317.63   453.276   253.927 6.6669  248.976 6.7970  4.950897       9.520852 
1 1 1 4   0   5  o 339.070 6.3077  15445.40  572.850   15324.71  809.964   15566.20  810.301   337.741 8.9535  340.399 8.8873  -2.658600      12.61543 
1 1 1 4   0   6  o 77.136  1.9638  797.169   40.567    813.135   57.326    781.153   57.415    77.910  2.7471  76.362  2.8071  1.548027       3.927659 
1 1 1 4   0   7  o 131.600 2.7820  2320.72   98.057    2343.11   138.602   2298.27   138.744   132.236 3.9132  130.964 3.9553  1.272324       5.563915 
1 1 1 4   0   8  o 264.673 5.0160  9399.93   355.447   9715.88   502.814   9084.33   502.542   269.127 6.9753  260.219 7.2102  8.908264       10.03199 
1 1 1 4   0   9  o 76.058  1.9917  775.325   40.548    806.614   57.273    743.880   57.415    77.598  2.7556  74.518  2.8765  3.079498       3.983438 
1 1 1 4   0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   0   11 f 333.390 6.2417  14922.33  557.307   14648.44  787.774   15196.75  788.530   330.320 8.9038  336.460 8.7498  -6.139557      12.48346 
1 1 1 4   0   12 o 122.639 2.6683  2015.40   87.632    2058.79   123.850   1971.91   124.011   123.961 3.7301  121.316 3.8164  2.644951       5.336535 
1 1 1 4   0   13 o 343.232 6.3670  15816.02  585.342   15878.88  827.701   15753.12  827.896   343.916 8.9853  342.548 9.0233  1.368164       12.73402 
1 1 1 4   0   14 o 232.164 4.5007  7229.29   279.792   7432.40   395.704   7026.22   395.668   235.430 6.2751  228.898 6.4536  6.531799       9.001382 
1 1 1 4   0   15 o 234.718 4.5256  7389.38   284.507   7467.48   402.259   7311.20   402.448   235.961 6.3647  233.475 6.4355  2.485901       9.051213 
1 1 1 4   0   16 f 246.343 4.6082  8143.03   304.026   8287.63   429.915   7998.38   430.002   248.535 6.4581  244.151 6.5754  4.383850       9.216480 
1 1 1 4   0   17 o 128.448 2.7802  2212.10   95.609    2129.86   134.959   2294.96   135.466   126.049 3.9974  130.847 3.8652  -4.798279      5.560499 
1 1 1 4   0   18 o 71.602  1.9948  687.045   38.252    670.828   53.924    703.470   54.269    70.751  2.8455  72.452  2.7965  -1.701714      3.989665 
1 1 1 4   0   19 o 192.871 3.8471  5001.37   198.551   5255.52   280.858   4747.44   280.730   197.789 5.3015  187.954 5.5763  9.834686       7.694227 
1 1 1 4   0   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   0   21 o 211.775 4.0936  6039.22   232.184   6129.48   328.220   5948.81   328.495   213.368 5.7431  210.182 5.8350  3.186111       8.187251 
1 1 1 4   0   22 o 264.138 5.0762  9431.86   359.064   9650.82   507.751   9212.83   507.835   267.233 7.0937  261.042 7.2631  6.191254       10.15250 
1 1 1 4   0   23 o 122.328 2.6992  2009.86   88.439    2022.94   124.840   1996.68   125.303   122.729 3.7977  121.927 3.8368  0.8026505      5.398495 
1 1 1 4   0   24 o 126.660 2.7610  2155.77   93.612    2063.04   132.004   2249.58   132.773   123.911 3.9773  129.408 3.8305  -5.496376      5.521938 
1 1 1 4   0   25 o 179.092 3.6408  4320.47   174.645   4296.04   246.695   4345.02   247.277   178.582 5.1574  179.601 5.1403  -1.018448      7.281589 
1 1 1 4   0   26 o 57.458  1.9552  443.025   30.087    448.881   42.451    437.115   42.649    57.841  2.7401  57.076  2.7898  0.7650528      3.910334 
1 1 1 4   0   27 o 100.207 2.4045  1349.39   64.531    1323.80   91.040    1375.23   91.483    99.250  3.4246  101.164 3.3762  -1.914543      4.809019 
1 1 1 4   0   28 o 46.800  1.9402  295.424   24.188    308.522   34.060    282.098   34.357    47.859  2.6676  45.741  2.8180  2.117905       3.880375 
1 1 1 4   0   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   0   30 o 41.166  1.9389  229.254   21.236    236.998   29.759    221.219   30.313    41.889  2.6663  40.444  2.8158  1.444622       3.877840 
1 1 1 4   0   31 o 56.363  1.9803  429.360   29.795    451.863   41.912    406.369   42.364    57.909  2.7021  54.817  2.8956  3.091976       3.960550 
1 1 1 4   0   32 o 35.730  1.9278  173.287   18.307    169.472   25.676    177.233   26.110    35.326  2.7349  36.134  2.7177  -0.8075714     3.855562 
1 1 1 4   0   33 o 75.280  2.1640  768.820   43.620    789.076   61.559    748.394   61.816    76.291  3.0125  74.269  3.1075  2.021591       4.328008 
1 1 1 4   0   34 o 53.090  1.9819  383.459   28.063    397.358   39.578    369.404   39.798    54.077  2.7414  52.102  2.8628  1.975914       3.963702 
1 1 1 4   0   35 o 20.377  2.3875  58.651    12.469    67.451    17.500    49.576    17.771    22.054  3.0435  18.699  3.6793  3.355715       4.774990 
1 1 1 4   0   36 o 38.289  2.2724  196.955   22.618    228.115   36.718    177.900   28.713    40.613  3.4068  35.965  3.0083  4.648464       4.544890 
1 1 1 4   0   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   0   38 o 31.064  2.5420  126.551   19.939    184.461   33.806    95.656    24.692    36.204  3.5311  25.924  3.6576  10.28008       5.083966 
1 1 1 4   0   39 o 25.250  3.1098  97.354    18.920    84.416    32.331    104.092   23.332    23.396  5.2842  27.105  3.2805  -3.709234      6.219697 
1 1 1 4   0   40 o 10.146  2.8306  -4.3838   11.522    29.222    22.117    -16.9021  13.499    14.168  4.8463  6.1234  2.9261  8.044130       5.661148 
1 1 1 4   0   41 o 29.925  3.0524  139.677   21.771    120.186   37.128    149.889   26.876    27.477  5.2360  32.373  3.1389  -4.895401      6.104769 
1 1 1 4   0   42 o 18.692  3.5414  58.289    17.413    49.902    32.425    61.688    20.642    17.238  5.8680  20.146  3.9666  -2.908016      7.082876 
1 1 1 4   0   43 o 24.420  3.3543  91.546    19.853    105.688   35.709    85.218    23.885    25.133  5.4607  23.708  3.8969  1.425175       6.708582 
1 1 1 4   0   44 o 24.924  4.7780  111.945   25.105    142.328   73.717    107.959   26.701    23.311  8.7371  26.537  3.8705  -3.226006      9.556087 
1 1 1 4   0   45 o 12.581  3.5102  23.971    16.795    14.945    33.239    27.066    19.462    12.269  5.3559  12.893  4.5387  -0.6236324     7.020337 
1 1 1 4   1   0  o 234.163 4.4713  7356.17   280.437   7322.93   396.323   7389.51   396.873   233.633 6.3332  234.694 6.3134  -1.060989      8.942508 
1 1 1 4   1   1  o 458.091 8.4290  28275.55  1034.23   28347.18  1462.71   28203.93  1462.53   458.675 11.906  457.508 11.935  1.167145       16.85802 
1 1 1 4   1   2  o 133.378 2.8027  2384.05   100.128   2383.22   141.689   2384.87   141.515   133.355 3.9668  133.401 3.9605  -0.4632568E-01 5.605472 
1 1 1 4   1   3  o 175.443 3.4514  4126.69   162.162   4038.83   229.276   4214.64   229.388   173.573 4.9316  177.314 4.8299  -3.741150      6.902795 
1 1 1 4   1   4  o 167.614 3.3417  3766.77   149.965   3890.20   212.148   3643.50   212.018   170.362 4.6492  164.867 4.8012  5.494827       6.683304 
1 1 1 4   1   5  o 404.225 7.4804  21979.46  809.609   22681.37  1145.46   21278.77  1144.46   410.702 10.413  397.749 10.742  12.95297       14.96078 
1 1 1 4   1   6  o 131.913 2.7616  2331.90   97.561    2379.90   137.987   2283.94   137.956   133.271 3.8656  130.555 3.9451  2.715881       5.523284 
1 1 1 4   1   7  o 254.370 4.8262  8679.50   328.797   8798.79   465.043   8560.26   464.935   256.121 6.7789  252.620 6.8713  3.500732       9.652335 
1 1 1 4   1   8  o 129.650 2.7387  2252.86   95.065    2328.08   134.464   2177.69   134.419   131.816 3.8085  127.485 3.9365  4.330902       5.477300 
1 1 1 4   1   9  o 182.611 3.5582  4469.62   174.031   4420.53   246.022   4518.78   246.213   181.606 5.0577  183.615 5.0063  -2.008652      7.116405 
1 1 1 4   1   10 o 261.916 7.1136  9237.00   497.416   8388.77   704.161   10081.83  702.746   249.849 10.522  273.984 9.5760  -24.13521      14.22729 
1 1 1 4   1   11 o 190.631 3.7517  4871.11   191.552   4921.39   270.833   4820.78   270.958   191.616 5.2769  189.646 5.3342  1.970428       7.503312 
1 1 1 4   1   12 o 529.162 9.7767  37718.11  1385.34   38721.95  1959.80   36715.55  1958.54   536.239 13.645  522.085 14.006  14.15405       19.55340 
1 1 1 4   1   13 o 156.772 3.2121  3293.64   134.877   3312.87   190.615   3274.36   190.875   157.230 4.5262  156.313 4.5589  0.9172668      6.424197 
1 1 1 4   1   14 o 422.949 7.8679  24059.66  891.187   24546.53  1260.54   23573.12  1260.12   427.245 11.015  418.653 11.237  8.591919       15.73575 
1 1 1 4   1   15 o 255.141 4.8231  8736.00   329.505   8985.60   465.996   8486.41   465.986   258.793 6.7226  251.489 6.9178  7.304550       9.646201 
1 1 1 4   1   16 o 152.992 3.1663  3138.12   129.743   3173.66   183.339   3102.46   183.631   153.861 4.4488  152.123 4.5067  1.737534       6.332621 
1 1 1 4   1   17 o 130.548 2.7671  2285.13   96.738    2226.03   136.576   2344.63   137.043   128.852 3.9572  132.244 3.8689  -3.391129      5.534300 
1 1 1 4   1   18 o 55.098  1.8043  406.801   26.625    400.741   37.519    412.948   37.791    54.684  2.5615  55.511  2.5417  -0.8269081     3.608514 
1 1 1 4   1   19 o 91.828  2.2609  1130.74   55.610    1125.99   78.471    1135.52   78.818    91.635  3.1971  92.022  3.1978  -0.3867722     4.521873 
1 1 1 4   1   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   1   21 o 156.409 3.2505  3288.73   136.141   3372.65   192.409   3204.59   192.656   158.415 4.5346  154.403 4.6584  4.012070       6.501020 
1 1 1 4   1   22 o 184.313 3.6824  4574.16   181.703   4738.22   256.900   4409.94   257.033   187.638 5.1116  180.988 5.3021  6.650223       7.364839 
1 1 1 4   1   23 o 145.591 3.1136  2849.74   121.419   2838.27   171.471   2861.26   171.956   145.297 4.4060  145.885 4.4007  -0.5879059     6.227261 
1 1 1 4   1   24 o 171.410 3.5050  3955.23   160.920   3972.90   227.354   3937.49   227.797   171.797 4.9408  171.024 4.9728  0.7730255      7.010035 
1 1 1 4   1   25 o 131.094 2.9012  2310.43   101.870   2300.04   143.806   2320.89   144.327   130.798 4.1047  131.390 4.1011  -0.5919037     5.802382 
1 1 1 4   1   26 o 21.301  2.3764  62.765    13.032    69.392    18.210    55.808    18.659    22.524  3.1006  20.077  3.6021  2.447245       4.752800 
1 1 1 4   1   27 o 105.538 2.5252  1498.95   71.317    1571.15   100.796   1426.58   100.919   108.096 3.4813  102.981 3.6587  5.114960       5.050318 
1 1 1 4   1   28 o 154.933 3.2932  3244.71   136.661   3251.27   193.051   3238.11   193.486   155.093 4.6472  154.773 4.6673  0.3204346      6.586355 
1 1 1 4   1   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   1   30 o 95.696  2.3776  1236.69   60.936    1252.49   85.956    1220.73   86.399    96.318  3.3318  95.075  3.3928  1.242920       4.755172 
1 1 1 4   1   31 o 22.445  2.2044  69.341    12.869    64.043    17.988    74.895    18.419    21.532  3.2176  23.359  3.0142  -1.826630      4.408893 
1 1 1 4   1   32 o 23.820  2.1524  78.043    13.388    71.996    18.750    84.330    19.121    22.842  3.1483  24.797  2.9359  -1.954163      4.304771 
1 1 1 4   1   33 o 31.636  1.9812  136.603   16.597    128.946   23.302    144.489   23.646    30.716  2.8653  32.556  2.7370  -1.840204      3.962487 
1 1 1 4   1   34 o 42.883  1.9614  250.454   22.400    242.202   31.426    258.978   31.938    42.156  2.7991  43.611  2.7482  -1.454853      3.922711 
1 1 1 4   1   35 o 31.553  2.0562  136.510   17.163    128.221   23.833    145.439   24.736    30.540  2.9502  32.566  2.8650  -2.025537      4.112390 
1 1 1 4   1   36 o 23.204  2.3408  75.565    13.992    88.331    20.052    63.451    19.533    25.232  3.0274  21.175  3.5710  4.057253       4.681619 
1 1 1 4   1   37 o 19.686  2.6002  55.433    13.171    46.553    18.184    65.231    19.102    17.920  3.8992  21.451  3.4410  -3.530060      5.200426 
1 1 1 4   1   38 o 24.661  2.3894  86.254    15.334    79.854    21.501    92.878    21.875    23.667  3.4971  25.654  3.2569  -1.986094      4.778821 
1 1 1 4   1   39 o 31.102  3.4245  150.932   23.256    133.136   45.832    157.103   26.988    28.779  6.1334  33.426  3.0479  -4.647066      6.848957 
1 1 1 4   1   40 o 42.153  2.4525  246.405   26.687    293.526   44.417    219.784   33.385    45.004  3.7181  39.303  3.1991  5.701538       4.904935 
1 1 1 4   1   41 o 41.982  2.5608  246.903   27.596    298.533   46.612    219.040   34.242    44.965  3.9091  39.000  3.3092  5.964954       5.121696 
1 1 1 4   1   42 o 12.341  3.2239  4.3546    14.598    48.987    27.872    -12.5177  17.137    17.185  5.4192  7.4984  3.4937  9.686169       6.447777 
1 1 1 4   1   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   1   44 o 13.850  3.4760  32.178    16.468    16.169    31.774    38.059    19.257    12.496  5.3439  15.205  4.4468  -2.709053      6.952032 
1 1 1 4   2   0  f 321.491 6.0007  13884.17  516.692   13682.56  730.291   14086.26  731.134   319.147 8.5431  323.834 8.4292  -4.687012      12.00149 
1 1 1 4   2   1  o 114.165 2.4715  1746.41   75.575    1731.29   106.834   1761.56   106.924   113.670 3.5089  114.660 3.4816  -0.9898300     4.943082 
1 1 1 4   2   2  o 114.616 2.5168  1760.22   77.263    1771.11   109.366   1749.36   109.166   114.970 3.5515  114.261 3.5670  0.7084122      5.033518 
1 1 1 4   2   3  o 214.409 4.1415  6164.91   237.835   6112.53   336.366   6217.28   336.332   213.497 5.8821  215.321 5.8317  -1.824051      8.282970 
1 1 1 4   2   4  o 328.494 6.1030  14491.31  536.979   14435.31  759.331   14547.34  759.475   327.858 8.6468  329.131 8.6150  -1.273102      12.20598 
1 1 1 4   2   5  o 192.614 3.7675  4973.90   194.351   5060.73   274.913   4887.14   274.795   194.296 5.2825  190.932 5.3733  3.364517       7.535093 
1 1 1 4   2   6  o 265.267 5.0056  9439.84   355.644   9527.51   502.976   9352.17   502.937   266.501 7.0463  264.033 7.1116  2.467804       10.01123 
1 1 1 4   2   7  o 95.920  2.2420  1233.05   57.563    1179.72   81.310    1286.64   81.502    93.840  3.2349  98.001  3.1049  -4.161423      4.483908 
1 1 1 4   2   8  o 275.010 5.2045  10146.33  383.359   10233.88  542.164   10058.78  542.138   276.199 7.3286  273.822 7.3919  2.377106       10.40902 
1 1 1 4   2   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   2   10 o 414.082 7.6197  23044.11  845.034   23404.78  1195.30   22683.73  1194.82   417.333 10.693  410.832 10.858  6.500641       15.23939 
1 1 1 4   2   11 o 229.941 4.4227  7089.76   272.348   7234.59   385.214   6945.02   385.101   232.292 6.1912  227.591 6.3173  4.701431       8.845334 
1 1 1 4   2   12 o 225.733 4.3201  6832.26   261.171   6701.82   369.155   6962.98   369.549   223.574 6.1645  227.893 6.0541  -4.319183      8.640256 
1 1 1 4   2   13 o 180.350 3.5996  4359.67   173.882   4359.46   245.809   4359.88   246.005   180.345 5.0887  180.354 5.0925  -0.8575439E-02 7.199152 
1 1 1 4   2   14 o 197.013 3.8783  5204.16   204.648   5256.96   289.367   5151.32   289.466   198.014 5.4559  196.012 5.5135  2.001923       7.756587 
1 1 1 4   2   15 o 358.117 6.6756  17247.40  640.326   17143.75  905.340   17351.15  905.776   357.036 9.4670  359.197 9.4145  -2.161530      13.35128 
1 1 1 4   2   16 o 126.116 2.7005  2132.08   91.220    2118.54   128.835   2145.69   129.176   125.715 3.8261  126.518 3.8119  -0.8033447     5.400908 
1 1 1 4   2   17 o 235.306 4.5329  7442.13   285.691   7389.98   403.779   7494.42   404.278   234.478 6.4291  236.134 6.3919  -1.656067      9.065896 
1 1 1 4   2   18 o 150.358 3.1298  3035.74   125.974   3151.51   178.077   2919.78   178.230   153.235 4.3387  147.481 4.5119  5.754242       6.259511 
1 1 1 4   2   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   2   20 o 85.590  2.1884  982.815   50.133    935.570   70.638    1030.77   71.163    83.514  3.1578  87.666  3.0307  -4.151474      4.376849 
1 1 1 4   2   21 o 168.585 3.4415  3822.49   155.383   3750.74   219.440   3894.64   220.051   166.993 4.9060  170.177 4.8276  -3.184692      6.882943 
1 1 1 4   2   22 o 83.301  2.1695  931.012   48.397    909.235   68.260    953.026   68.631    82.321  3.0958  84.282  3.0401  -1.961823      4.338902 
1 1 1 4   2   23 o 66.504  2.0575  593.414   36.645    600.674   51.620    586.039   52.031    66.915  2.8801  66.093  2.9391  0.8225021      4.115011 
1 1 1 4   2   24 o 128.090 2.7999  2204.75   96.061    2208.26   135.621   2201.23   136.081   128.193 3.9498  127.987 3.9696  0.2064056      5.599848 
1 1 1 4   2   25 o 48.000  1.8884  310.049   24.168    295.727   33.975    324.717   34.385    46.870  2.7180  49.129  2.6225  -2.259159      3.776870 
1 1 1 4   2   26 o 98.662  2.3551  1308.10   62.228    1330.38   87.877    1285.70   88.130    99.508  3.2971  97.816  3.3637  1.691521       4.710147 
1 1 1 4   2   27 o 153.432 3.1746  3177.07   130.463   3184.58   184.380   3169.55   184.625   153.615 4.4812  153.248 4.4979  0.3673553      6.349162 
1 1 1 4   2   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   2   29 o 57.934  1.9738  451.809   30.625    457.491   43.173    446.054   43.450    58.304  2.7645  57.565  2.8180  0.7388992      3.947656 
1 1 1 4   2   30 o 49.378  1.9474  330.424   25.573    357.060   35.998    303.286   36.337    51.420  2.6225  47.337  2.8796  4.082935       3.894756 
1 1 1 4   2   31 o 71.982  2.1152  701.164   40.744    733.434   57.495    668.610   57.746    73.664  2.9139  70.299  3.0668  3.365265       4.230413 
1 1 1 4   2   32 o 61.339  2.0331  509.435   33.393    492.752   46.992    526.454   47.462    60.317  2.9087  62.361  2.8415  -2.044590      4.066243 
1 1 1 4   2   33 o 36.174  1.9819  178.912   18.992    191.478   26.600    165.844   27.126    37.512  2.6648  34.836  2.9345  2.675274       3.963894 
1 1 1 4   2   34 o 48.011  1.9721  314.081   25.249    310.135   35.411    318.160   36.010    47.705  2.7834  48.317  2.7944  -0.6120758     3.944120 
1 1 1 4   2   35 o 45.370  1.9854  281.390   24.001    271.973   33.630    291.164   34.264    44.587  2.8307  46.154  2.7847  -1.567413      3.970840 
1 1 1 4   2   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   2   37 o 38.283  2.0670  202.950   21.001    189.173   29.478    217.149   29.926    36.920  3.0070  39.646  2.8369  -2.725224      4.134005 
1 1 1 4   2   38 o 38.182  2.1033  203.684   21.302    214.385   29.921    192.684   30.334    39.260  2.8651  37.103  3.0802  2.157322       4.206662 
1 1 1 4   2   39 o 38.686  2.1495  211.343   22.012    228.489   30.958    193.813   31.303    40.381  2.8811  36.991  3.1906  3.390259       4.298959 
1 1 1 4   2   40 o 15.532  2.7203  36.843    12.626    59.340    17.552    12.719    18.176    20.169  3.3678  10.895  4.2729  9.273399       5.440620 
1 1 1 4   2   41 o 11.458  2.8970  17.944    11.260    18.899    15.476    16.869    16.414    11.609  4.0496  11.308  4.1439  0.3012524      5.794026 
1 1 1 4   2   42 o 18.958  3.6716  55.591    17.608    69.901    34.004    50.349    20.582    20.014  5.9248  17.902  4.3380  2.112331       7.343142 
1 1 1 4   2   43 o 7.8148  2.6912  -24.5167  13.532    -13.5279  28.994    -27.5772  15.301    9.8069  4.5610  5.8226  2.8578  3.984297       5.382319 
1 1 1 4   2   44 o 14.695  3.6382  25.706    16.308    69.828    33.292    11.777    18.705    19.008  5.9116  10.382  4.2427  8.625406       7.276488 
1 1 1 4   3   0  o 273.293 5.1734  10024.24  378.675   9878.86   535.140   10170.05  535.916   271.305 7.3641  275.282 7.2682  -3.977112      10.34687 
1 1 1 4   3   1  o 200.191 3.8642  5373.58   207.187   5441.45   293.024   5305.74   292.990   201.456 5.4304  198.925 5.4989  2.530884       7.728323 
1 1 1 4   3   2  o 50.967  1.6848  348.094   22.985    363.274   32.543    332.983   32.468    52.077  2.3331  49.858  2.4313  2.218838       3.369626 
1 1 1 4   3   3  o 131.449 2.7868  2316.05   98.058    2414.13   138.893   2218.58   138.459   134.225 3.8633  128.672 4.0174  5.553833       5.573575 
1 1 1 4   3   4  o 189.928 3.7305  4835.91   189.759   4919.15   268.478   4752.81   268.241   191.563 5.2325  188.293 5.3187  3.269760       7.461040 
1 1 1 4   3   5  o 280.515 5.2988  10557.88  398.130   10540.07  563.016   10575.69  563.065   280.278 7.4997  280.752 7.4877  -0.4741211     10.59765 
1 1 1 4   3   6  o 264.197 4.9845  9363.10   352.713   9469.75   498.888   9256.52   498.734   265.703 7.0100  262.690 7.0882  3.013123       9.969076 
1 1 1 4   3   7  o 528.031 13.825  37787.77  1955.24   37625.14  2763.27   37950.84  2767.00   526.884 19.580  529.178 19.522  -2.294250      27.64934 
1 1 1 4   3   8  o 473.208 12.416  30273.83  1573.51   29761.45  2226.40   30785.18  2224.17   469.167 17.717  477.248 17.399  -8.081390      24.83193 
1 1 1 4   3   9  o 100.417 2.3270  1351.16   62.565    1392.64   88.491    1309.70   88.469    101.958 3.2403  98.875  3.3406  3.083649       4.653906 
1 1 1 4   3   10 o 323.045 6.0055  14006.17  519.580   13751.17  734.507   14261.58  735.086   320.096 8.5670  325.994 8.4186  -5.898346      12.01106 
1 1 1 4   3   11 o 294.509 5.5368  11637.26  436.741   11500.26  617.414   11774.46  617.875   292.772 7.8733  296.247 7.7868  -3.475677      11.07353 
1 1 1 4   3   12 o 94.199  2.2365  1189.40   56.362    1118.72   79.482    1260.90   79.935    91.382  3.2473  97.017  3.0761  -5.635010      4.472973 
1 1 1 4   3   13 o 327.230 6.0923  14379.86  533.902   14089.86  754.680   14670.42  755.425   323.919 8.6984  330.542 8.5325  -6.622894      12.18461 
1 1 1 4   3   14 o 35.156  1.7026  166.661   15.884    181.682   22.479    151.682   22.447    36.756  2.2947  33.555  2.5159  3.201141       3.405203 
1 1 1 4   3   15 o 120.807 2.6142  1956.15   84.587    1935.22   119.520   1977.16   119.728   120.159 3.7136  121.455 3.6803  -1.295921      5.228361 
1 1 1 4   3   16 o 66.755  1.9103  597.199   34.155    603.703   48.213    590.646   48.393    67.121  2.6818  66.390  2.7214  0.7303619      3.820698 
1 1 1 4   3   17 o 58.641  1.8431  460.874   28.948    454.799   40.864    466.993   41.015    58.253  2.6190  59.029  2.5941  -0.7761688     3.686236 
1 1 1 4   3   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   3   19 f 279.285 5.3634  10540.96  401.071   10864.00  567.299   10218.15  567.100   283.601 7.4682  274.968 7.6999  8.632904       10.72674 
1 1 1 4   3   20 o 158.160 3.2354  3362.37   137.035   3277.92   193.497   3447.34   194.097   156.162 4.6261  160.159 4.5246  -3.997513      6.470871 
1 1 1 4   3   21 o 130.426 2.8550  2286.25   99.669    2381.15   140.832   2191.02   141.074   133.148 3.9489  127.705 4.1243  5.443123       5.709982 
1 1 1 4   3   22 f 88.966  2.2746  1062.14   54.195    1038.43   76.396    1086.16   76.893    87.965  3.2424  89.967  3.1909  -2.001534      4.549217 
1 1 1 4   3   23 f 33.952  1.9509  155.720   17.576    158.487   24.563    152.817   25.160    34.269  2.6978  33.634  2.8188  0.6346245      3.901807 
1 1 1 4   3   24 o 86.699  2.2478  1008.99   52.182    974.792   73.462    1043.82   74.135    85.214  3.2186  88.184  3.1387  -2.970520      4.495592 
1 1 1 4   3   25 o 29.025  2.0457  114.140   15.686    110.456   21.919    118.007   22.459    28.539  2.9081  29.511  2.8779  -0.9726238     4.091328 
1 1 1 4   3   26 o 183.154 3.6946  4534.96   181.246   4501.94   256.169   4568.07   256.473   182.482 5.2411  183.827 5.2089  -1.345932      7.389236 
1 1 1 4   3   27 o 87.312  2.9356  1038.32   63.265    1051.72   76.417    1009.14   112.793   88.413  3.2269  86.211  4.9049  2.202705       5.871183 
1 1 1 4   3   28 o 88.176  2.2714  1047.58   53.618    1004.35   75.548    1091.47   76.109    86.334  3.2670  90.019  3.1566  -3.684731      4.542844 
1 1 1 4   3   29 o 72.358  2.0879  705.791   40.455    684.971   57.006    726.914   57.420    71.277  2.9859  73.438  2.9191  -2.160667      4.175785 
1 1 1 4   3   30 o 53.827  1.9597  391.958   28.158    392.046   39.707    391.869   39.938    53.835  2.7630  53.819  2.7800  0.1564789E-01  3.919482 
1 1 1 4   3   31 o 32.283  1.9572  141.862   16.750    135.751   23.518    148.153   23.862    31.564  2.8112  33.001  2.7239  -1.437292      3.914356 
1 1 1 4   3   32 o 21.720  2.3034  65.606    12.963    69.424    18.231    61.703    18.434    22.403  3.1233  21.037  3.3863  1.365126       4.606740 
1 1 1 4   3   33 o 39.027  1.9575  207.602   20.325    201.668   28.573    213.680   28.919    38.454  2.7932  39.601  2.7433  -1.146847      3.915018 
1 1 1 4   3   34 o 33.542  2.0107  154.151   17.890    149.895   25.171    158.495   25.430    33.063  2.8707  34.020  2.8161  -0.9563370     4.021422 
1 1 1 4   3   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   3   36 o 54.096  2.0714  402.721   29.834    360.921   41.693    446.581   42.708    51.113  3.0594  57.079  2.7935  -5.965340      4.142869 
1 1 1 4   3   37 o 14.684  2.9084  31.647    11.909    33.390    16.654    29.822    17.036    15.074  4.0418  14.293  4.1831  0.7808437      5.816800 
1 1 1 4   3   38 o 10.569  2.5980  10.308    10.380    26.813    14.978    -4.9441   14.398    13.506  3.9137  7.6323  3.4179  5.874139       5.196033 
1 1 1 4   3   39 o 18.256  2.7581  49.873    13.100    42.451    18.345    57.597    18.713    16.741  4.1194  19.771  3.6687  -3.030529      5.516176 
1 1 1 4   3   40 o 14.324  3.0579  31.148    12.789    36.181    18.446    26.488    17.748    15.323  4.3123  13.325  4.3368  1.997874       6.115880 
1 1 1 4   3   41 o 29.365  3.2130  120.914   21.855    107.024   25.220    162.795   43.791    26.963  3.5806  31.766  5.3360  -4.802881      6.426016 
1 1 1 4   3   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   3   43 o 13.588  2.7884  25.491    13.028    52.579    18.847    0.7031    18.029    18.254  3.9680  8.9230  3.9186  9.330495       5.576771 
1 1 1 4   4   0  o 394.806 7.3209  20959.73  773.992   20425.35  1093.90   21495.45  1095.28   389.747 10.479  399.865 10.226  -10.11743      14.64178 
1 1 1 4   4   1  o 210.897 4.0824  5964.17   230.583   6070.27   326.088   5858.07   326.098   212.775 5.7217  209.019 5.8247  3.756409       8.164866 
1 1 1 4   4   2  o 213.484 4.1487  6113.02   237.093   6357.93   335.531   5868.78   335.069   217.761 5.7526  209.207 5.9796  8.554108       8.297424 
1 1 1 4   4   3  o 295.958 5.5672  11755.55  441.270   11968.02  624.328   11543.45  623.771   298.635 7.8052  293.280 7.9406  5.355408       11.13436 
1 1 1 4   4   4  o 131.602 2.7629  2320.73   97.383    2290.06   137.824   2351.31   137.617   130.733 3.9360  132.471 3.8785  -1.737747      5.525800 
1 1 1 4   4   5  o 338.903 6.3017  15420.85  572.023   15539.66  809.104   15302.12  808.822   340.211 8.8790  337.595 8.9447  2.616547       12.60341 
1 1 1 4   4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   4   7  o 464.637 8.5424  29039.39  1063.12   29057.79  1503.50   29020.98  1503.45   464.785 12.077  464.489 12.084  0.2956848      17.08476 
1 1 1 4   4   8  o 527.707 9.7430  37501.65  1377.12   37566.42  1947.55   37436.88  1947.54   528.166 13.767  527.249 13.791  0.9165039      19.48594 
1 1 1 4   4   9  o 234.188 4.5233  7353.83   283.717   7450.86   401.289   7256.85   401.185   235.734 6.3554  232.642 6.4383  3.092728       9.046698 
1 1 1 4   4   10 o 503.303 9.2822  34099.54  1251.05   34938.55  1769.86   33261.69  1768.64   509.522 12.968  497.085 13.284  12.43701       18.56443 
1 1 1 4   4   11 o 160.764 3.2725  3463.56   140.913   3464.99   199.209   3462.12   199.354   160.797 4.6253  160.730 4.6306  0.6663513E-01  6.544945 
1 1 1 4   4   12 o 550.992 10.170  40961.99  1500.30   39663.58  2120.61   42263.18  2122.87   542.186 14.602  559.797 14.158  -17.61029      20.33913 
1 1 1 4   4   13 o 329.481 6.2370  14586.89  550.409   14477.78  778.197   14696.11  778.594   328.245 8.8512  330.718 8.7895  -2.473480      12.47394 
1 1 1 4   4   14 o 196.682 3.8172  5189.23   201.094   5194.37   284.244   5184.08   284.537   196.779 5.3929  196.584 5.4038  0.1956787      7.634446 
1 1 1 4   4   15 o 290.102 5.5785  11326.69  433.360   11616.38  612.975   11037.21  612.752   293.829 7.7886  286.376 7.9884  7.453156       11.15692 
1 1 1 4   4   16 o 122.345 2.6419  2007.54   86.572    2025.54   122.318   1989.47   122.544   122.895 3.7159  121.794 3.7564  1.101112       5.283844 
1 1 1 4   4   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   4   18 o 211.386 4.1634  6015.40   235.700   5902.29   333.048   6128.90   333.612   209.386 5.9384  213.386 5.8370  -4.000519      8.326760 
1 1 1 4   4   19 o 126.507 2.7270  2148.61   92.400    2120.30   130.478   2177.09   130.868   125.669 3.8763  127.344 3.8368  -1.675026      5.454059 
1 1 1 4   4   20 o 82.850  2.1693  920.858   48.138    925.587   67.983    916.103   68.171    83.064  3.0556  82.636  3.0799  0.4277725      4.338513 
1 1 1 4   4   21 o 109.534 2.4921  1610.57   73.112    1589.78   103.152   1631.56   103.641   108.823 3.5389  110.245 3.5098  -1.423019      4.984241 
1 1 1 4   4   22 o 187.029 3.7418  4710.94   187.442   4659.07   264.742   4763.08   265.426   185.992 5.3142  188.066 5.2692  -2.073547      7.483679 
1 1 1 4   4   23 o 35.506  1.8909  170.177   17.836    174.556   24.965    165.613   25.491    35.982  2.6081  35.030  2.7385  0.9513168      3.781774 
1 1 1 4   4   24 o 73.801  2.0789  731.197   41.057    692.171   57.790    770.972   58.342    71.809  3.0046  75.794  2.8738  -3.984833      4.157701 
1 1 1 4   4   25 o 92.345  2.3319  1146.14   57.669    1165.61   81.392    1126.51   81.721    93.136  3.2627  91.554  3.3325  1.581848       4.663747 
1 1 1 4   4   26 o 141.008 3.0558  2683.39   115.401   2728.57   163.085   2638.07   163.318   142.207 4.2816  139.809 4.3612  2.397461       6.111639 
1 1 1 4   4   27 o 89.426  4.4704  1082.23   107.079   0.0000    0.0000    1082.23   107.079   ?       ?       89.426  4.4704  ?              ?        
1 1 1 4   4   28 o 80.214  2.2038  867.550   47.326    833.212   66.704    902.355   67.155    78.607  3.1681  81.822  3.0642  -3.214577      4.407558 
1 1 1 4   4   29 o 78.817  2.1700  839.293   45.790    866.070   64.596    812.250   64.917    80.093  3.0111  77.541  3.1257  2.552612       4.340082 
1 1 1 4   4   30 o 49.281  1.9437  329.100   25.514    305.989   35.828    352.878   36.342    47.504  2.8287  51.059  2.6666  -3.555416      3.887409 
1 1 1 4   4   31 o 40.583  1.9489  223.671   21.048    214.288   29.348    233.609   30.203    39.699  2.7776  41.467  2.7346  -1.768394      3.897845 
1 1 1 4   4   32 o 26.285  2.1957  95.906    14.826    74.837    20.731    117.962   21.211    23.185  3.4428  29.385  2.7260  -6.199471      4.391367 
1 1 1 4   4   33 o 40.795  1.9666  227.113   21.353    228.070   29.861    226.111   30.546    40.894  2.7421  40.696  2.8197  0.1974335      3.933145 
1 1 1 4   4   34 o 23.235  2.3531  75.461    14.226    74.422    19.982    76.529    20.256    23.069  3.3304  23.401  3.3253  -0.3321266     4.706240 
1 1 1 4   4   35 o 55.538  2.0741  423.937   30.744    426.560   43.509    421.321   43.447    55.713  2.9259  55.362  2.9405  0.3511086      4.148154 
1 1 1 4   4   36 o 7.4637  2.3591  -5.1400   9.6656    -2.7507   13.942    -7.3508   13.412    7.8302  3.4421  7.0971  3.2269  0.7330294      4.718120 
1 1 1 4   4   37 o 17.993  2.8361  47.728    13.308    45.560    18.311    50.154    19.374    17.562  3.9841  18.424  4.0375  -0.8619614     5.672260 
1 1 1 4   4   38 o 16.314  2.8264  38.960    12.761    23.034    17.283    58.052    18.923    12.737  4.2844  19.891  3.6876  -7.153350      5.652858 
1 1 1 4   4   39 o 16.842  3.0162  43.377    13.653    38.854    19.011    48.193    19.619    15.906  4.3411  17.779  4.1887  -1.873126      6.032466 
1 1 1 4   4   40 o 25.813  2.5829  98.006    17.344    93.173    24.054    103.240   25.033    25.122  3.6841  26.503  3.6210  -1.381260      5.165710 
1 1 1 4   4   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   4   42 o 11.024  2.9698  14.283    12.849    24.472    17.730    3.0134    18.646    12.657  4.3390  9.3917  4.0560  3.265513       5.939529 
1 1 1 4   5   0  o 242.710 4.6150  7901.38   299.958   7707.08   423.795   8096.44   424.615   239.715 6.6004  245.704 6.4520  -5.988571      9.230039 
1 1 1 4   5   1  o 416.355 7.6893  23308.80  857.369   23802.04  1212.77   22815.98  1212.24   420.776 10.761  411.934 10.987  8.841309       15.37858 
1 1 1 4   5   2  f 132.324 2.8007  2346.16   99.264    2329.95   140.380   2362.37   140.381   131.866 3.9745  132.781 3.9471  -0.9148254     5.601471 
1 1 1 4   5   3  o 246.194 4.6541  8128.58   306.901   8072.77   434.072   8184.36   433.976   245.348 6.6053  247.040 6.5586  -1.692215      9.308294 
1 1 1 4   5   4  o 497.993 13.096  33576.62  1745.85   34826.88  2468.77   32325.90  2469.23   507.369 18.166  488.618 18.867  18.75082       26.19125 
1 1 1 4   5   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   5   6  o 121.094 2.6091  1964.63   84.624    1973.00   119.752   1956.28   119.602   121.352 3.6842  120.837 3.6953  0.5155563      5.218122 
1 1 1 4   5   7  o 323.638 6.0167  14056.68  521.559   13993.62  737.562   14119.76  737.630   322.910 8.5276  324.365 8.4901  -1.455139      12.03340 
1 1 1 4   5   8  o 162.537 3.2761  3540.97   142.576   3650.68   201.703   3431.41   201.563   165.055 4.5624  160.019 4.7027  5.036575       6.552196 
1 1 1 4   5   9  o 188.419 3.7196  4758.38   187.719   4735.90   265.384   4780.90   265.566   187.974 5.2709  188.865 5.2497  -0.8913422     7.439210 
1 1 1 4   5   10 o 319.873 5.9892  13734.03  513.105   13917.18  725.699   13550.95  725.581   322.010 8.4139  317.736 8.5257  4.274445       11.97838 
1 1 1 4   5   11 o 109.932 2.4830  1619.19   73.113    1623.48   103.371   1614.90   103.423   110.078 3.5060  109.786 3.5171  0.2916565      4.966040 
1 1 1 4   5   12 o 141.869 2.9985  2697.55   113.941   2708.97   161.087   2686.12   161.187   142.170 4.2302  141.568 4.2508  0.6013794      5.997026 
1 1 1 4   5   13 o 273.063 5.1107  10015.08  373.795   9973.81   528.507   10056.39  528.746   272.499 7.2410  273.628 7.2144  -1.128693      10.22148 
1 1 1 4   5   14 o 124.674 2.7261  2084.01   91.036    2078.86   128.639   2089.17   128.850   124.520 3.8570  124.829 3.8537  -0.3085251     5.452276 
1 1 1 4   5   15 o 159.812 3.2487  3427.63   139.063   3438.82   196.528   3416.41   196.802   160.074 4.5837  159.550 4.6051  0.5238495      6.497500 
1 1 1 4   5   16 o 250.107 6.7581  8478.50   451.449   7688.12   633.813   9292.42   643.181   238.154 9.9361  262.061 9.1631  -23.90704      13.51620 
1 1 1 4   5   17 o 232.332 4.4856  7271.53   279.112   7386.73   394.660   7156.25   394.788   234.184 6.2918  230.480 6.3950  3.704071       8.971235 
1 1 1 4   5   18 o 40.344  1.7773  219.178   19.094    228.970   26.976    209.347   27.031    41.256  2.4522  39.432  2.5734  1.823509       3.554671 
1 1 1 4   5   19 o 179.372 3.6450  4329.71   175.083   4431.39   247.507   4227.86   247.703   181.490 5.0915  177.254 5.2173  4.236816       7.289955 
1 1 1 4   5   20 o 199.883 3.9224  5381.53   209.998   5391.87   296.734   5371.15   297.232   200.078 5.5371  199.689 5.5572  0.3890686      7.844819 
1 1 1 4   5   21 o 63.844  2.0096  546.600   34.340    517.988   48.132    576.263   49.009    62.141  2.8918  65.547  2.7915  -3.405998      4.019300 
1 1 1 4   5   22 o 62.224  1.9787  519.622   32.962    533.952   46.408    505.033   46.827    63.092  2.7462  61.356  2.8494  1.736084       3.957306 
1 1 1 4   5   23 o 125.469 2.7485  2115.96   92.364    2085.58   130.255   2146.68   130.991   124.561 3.9041  126.377 3.8698  -1.815720      5.497045 
1 1 1 4   5   24 o 97.800  2.3972  1285.39   62.764    1233.44   88.371    1338.27   89.158    95.800  3.4439  99.799  3.3354  -3.999062      4.794313 
1 1 1 4   5   25 o 43.682  1.9167  257.248   22.313    258.742   31.415    255.727   31.697    43.812  2.6900  43.551  2.7311  0.2613716      3.833405 
1 1 1 4   5   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   5   27 o 101.980 2.4244  1403.11   66.224    1397.62   93.403    1408.66   93.907    101.780 3.4262  102.180 3.4312  -0.4001160     4.848885 
1 1 1 4   5   28 f 66.312  2.0616  594.042   36.523    642.549   51.629    545.450   51.674    69.046  2.7917  63.578  3.0344  5.467182       4.123270 
1 1 1 4   5   29 o 50.858  1.9344  350.023   26.250    341.977   36.861    358.302   37.390    50.261  2.7485  51.455  2.7226  -1.194145      3.868742 
1 1 1 4   5   30 o 109.672 2.5929  1638.46   76.165    1625.89   107.481   1651.15   107.948   109.246 3.6731  110.098 3.6605  -0.8519363     5.185704 
1 1 1 4   5   31 o 77.622  2.2431  819.182   46.627    834.021   65.713    804.137   66.170    78.345  3.1315  76.900  3.2125  1.445442       4.486254 
1 1 1 4   5   32 o 64.033  2.0517  557.009   35.180    539.381   49.365    575.201   50.149    62.996  2.9256  65.069  2.8774  -2.073685      4.103473 
1 1 1 4   5   33 o 17.402  2.6832  43.371    12.163    47.432    17.135    39.246    17.269    18.271  3.6293  16.534  3.9530  1.737339       5.366372 
1 1 1 4   5   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   5   35 o 14.324  2.8692  29.530    11.608    35.104    16.656    24.266    16.186    15.522  3.9857  13.127  4.1284  2.394620       5.738407 
1 1 1 4   5   36 o 15.092  2.8658  33.317    11.936    27.108    16.545    40.055    17.235    13.683  4.1517  16.502  3.9517  -2.819049      5.731691 
1 1 1 4   5   37 o 13.245  2.8323  25.128    11.612    36.435    16.140    12.997    16.718    15.665  3.8695  10.826  4.1371  4.838649       5.664687 
1 1 1 4   5   38 o 9.5265  2.4248  -1.0370   10.236    -23.6052  13.810    26.468    15.246    5.7091  2.7834  13.344  3.9713  -7.634825      4.849530 
1 1 1 4   5   39 o 23.303  2.6506  80.655    15.834    67.731    22.301    93.794    22.486    21.182  4.0788  25.424  3.3862  -4.242657      5.301192 
1 1 1 4   5   40 o 17.454  3.0919  47.533    14.421    47.421    20.164    47.651    20.634    17.451  4.3336  17.456  4.4113  -0.4602432E-02 6.183774 
1 1 1 4   5   41 o 17.069  3.1042  46.388    14.584    34.343    20.409    58.956    20.848    14.673  4.6384  19.465  4.1267  -4.791576      6.208424 
1 1 1 4   5   42 o 9.9883  2.8512  8.0242    12.257    19.575    18.059    -1.8411   16.689    11.651  4.3328  8.3250  3.7073  3.326470       5.702415 
1 1 1 4   6   0  o 13.435  1.7198  25.154    5.9183    30.259    8.3665    20.042    8.3729    14.875  2.1633  11.996  2.6741  2.878945       3.439588 
1 1 1 4   6   1  o 315.797 5.9057  13385.50  499.516   13525.05  706.369   13245.91  706.476   317.447 8.3075  314.146 8.3961  3.300232       11.81140 
1 1 1 4   6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   6   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   6   4  o 260.474 4.9618  9099.97   346.149   8978.74   489.600   9221.13   489.457   258.737 7.0647  262.212 6.9690  -3.474396      9.923578 
1 1 1 4   6   5  o 654.727 11.991  57884.50  2102.75   58111.61  2974.06   57657.50  2973.42   656.021 16.926  653.432 16.989  2.588257       23.98123 
1 1 1 4   6   6  f 543.484 9.9284  39778.87  1445.23   39348.30  2043.58   40209.68  2044.14   540.526 14.115  546.442 13.966  -5.916443      19.85679 
1 1 1 4   6   7  o 639.404 11.810  55183.32  2022.62   55234.00  2860.61   55132.65  2860.23   639.700 16.695  639.109 16.708  0.5911255      23.62002 
1 1 1 4   6   8  o 496.233 9.1778  33143.11  1219.71   32514.47  1724.48   33772.42  1725.39   491.502 13.099  500.965 12.858  -9.463043      18.35561 
1 1 1 4   6   9  o 171.360 3.4261  3935.49   157.254   3920.38   222.323   3950.61   222.458   171.031 4.8531  171.689 4.8374  -0.6585083     6.852277 
1 1 1 4   6   10 o 434.145 8.0835  25360.44  939.989   25455.88  1329.31   25265.00  1329.38   434.965 11.410  433.324 11.454  1.641541       16.16708 
1 1 1 4   6   11 o 134.275 2.8510  2417.14   102.482   2507.53   144.947   2326.78   144.915   136.787 3.9562  131.762 4.1062  5.025574       5.701904 
1 1 1 4   6   12 o 192.534 3.7886  4974.65   195.252   5182.14   276.218   4767.44   276.038   196.555 5.2466  188.513 5.4668  8.041367       7.577168 
1 1 1 4   6   13 o 162.229 3.2680  3531.16   141.944   3408.38   200.515   3654.48   200.964   159.397 4.6965  165.060 4.5456  -5.662949      6.536016 
1 1 1 4   6   14 o 203.919 3.9749  5587.34   217.048   5428.34   306.698   5746.87   307.206   201.004 5.6966  206.835 5.5452  -5.830719      7.949899 
1 1 1 4   6   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   6   16 o 182.086 3.6233  4457.03   176.702   4390.52   249.686   4523.76   250.105   180.721 5.1582  183.452 5.0899  -2.730881      7.246672 
1 1 1 4   6   17 o 93.655  2.2836  1176.90   57.250    1125.11   80.728    1229.31   81.202    91.579  3.2911  95.732  3.1668  -4.152855      4.567275 
1 1 1 4   6   18 o 170.098 3.4264  3891.92   156.024   4036.37   220.619   3747.39   220.683   173.270 4.7537  166.926 4.9358  6.342972       6.852706 
1 1 1 4   6   19 f 108.734 2.5001  1587.01   72.812    1583.05   102.792   1591.01   103.153   108.598 3.5339  108.870 3.5374  -0.2724380     5.000128 
1 1 1 4   6   20 f 123.942 2.7659  2063.55   91.809    2097.29   129.637   2029.59   130.040   124.962 3.8731  122.922 3.9497  2.040436       5.531800 
1 1 1 4   6   21 o 143.878 3.0556  2783.32   117.737   2838.24   166.375   2728.22   166.637   145.305 4.2748  142.450 4.3674  2.855850       6.111300 
1 1 1 4   6   22 o 230.654 4.4775  7191.63   276.617   7137.54   390.825   7245.93   391.567   229.778 6.3502  231.529 6.3141  -1.750275      8.955021 
1 1 1 4   6   23 o 136.333 2.9632  2502.37   108.158   2583.21   152.776   2421.15   153.142   138.553 4.1167  134.113 4.2632  4.439529       5.926399 
1 1 1 4   6   24 o 24.822  2.0975  83.876    13.648    78.225    19.024    89.869    19.591    23.939  3.0351  25.704  2.8959  -1.765228      4.195052 
1 1 1 4   6   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   6   26 o 61.913  2.0131  516.006   33.371    530.126   47.046    501.706   47.344    62.771  2.7982  61.055  2.8950  1.715649       4.026288 
1 1 1 4   6   27 o 15.959  2.5079  35.993    10.592    24.368    14.851    48.029    15.111    13.300  3.9095  18.617  3.1423  -5.317086      5.015752 
1 1 1 4   6   28 o 7.5865  2.2689  0.4917    7.9433    1.5918    11.512    -0.5081   10.975    7.8504  3.2794  7.3226  3.1363  0.5277553      4.537712 
1 1 1 4   6   29 o 59.680  2.0150  481.914   32.192    492.882   45.148    470.570   45.915    60.383  2.7915  58.977  2.9066  1.405609       4.030004 
1 1 1 4   6   30 o 49.642  1.9879  334.810   26.315    337.574   36.863    331.938   37.579    49.861  2.7711  49.422  2.8509  0.4389534      3.975729 
1 1 1 4   6   31 o 30.542  2.0347  127.894   16.344    111.615   22.880    144.856   23.355    28.499  3.0445  32.586  2.7002  -4.087414      4.069396 
1 1 1 4   6   32 o 34.515  2.0696  163.875   18.857    179.887   26.520    147.501   26.819    36.284  2.7492  32.746  3.0944  3.538624       4.139240 
1 1 1 4   6   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   6   34 f 19.535  2.5775  54.606    12.989    55.673    18.288    53.521    18.452    19.749  3.5894  19.321  3.7001  0.4278698      5.155073 
1 1 1 4   6   35 o 10.441  2.7845  11.418    10.731    16.171    15.591    7.1394    14.792    11.346  4.0549  9.5351  3.8172  1.810783       5.568958 
1 1 1 4   6   36 f 15.707  2.8857  36.733    12.400    44.130    17.517    29.303    17.557    17.294  3.8772  14.119  4.2751  3.175145       5.771459 
1 1 1 4   6   37 o 23.491  2.4504  79.763    14.951    77.441    21.041    82.131    21.247    23.119  3.5080  23.862  3.4223  -0.7430248     4.900795 
1 1 1 4   6   38 o 18.123  2.8524  50.887    13.852    70.017    19.386    30.928    19.802    21.939  3.4097  14.308  4.5737  7.631159       5.704810 
1 1 1 4   6   39 o 19.992  2.8440  60.489    14.693    60.723    20.412    60.236    21.166    20.080  3.9360  19.905  4.1063  0.1745491      5.688055 
1 1 1 4   6   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   6   41 o 18.862  3.0991  57.349    15.377    53.166    21.916    61.406    21.581    18.052  4.5378  19.672  4.2220  -1.620611      6.198106 
1 1 1 4   7   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   7   1  o 829.742 15.289  93546.43  3394.30   98629.19  4804.15   88480.10  4796.38   852.566 21.038  806.919 22.192  45.64746       30.57891 
1 1 1 4   7   2  o 636.634 11.625  54718.73  1981.61   56352.68  2803.80   53087.98  2801.04   646.204 16.199  627.064 16.677  19.14044       23.24932 
1 1 1 4   7   3  o 395.297 7.3149  20991.27  774.495   20902.94  1095.32   21079.58  1095.28   394.463 10.367  396.132 10.323  -1.668365      14.62980 
1 1 1 4   7   4  o 123.715 2.6647  2050.64   88.298    2037.73   124.999   2063.50   124.746   123.326 3.7841  124.104 3.7528  -0.7777252     5.329413 
1 1 1 4   7   5  o 317.319 5.9442  13512.31  505.162   13751.29  714.814   13273.87  714.000   320.128 8.3364  314.511 8.4757  5.616364       11.88836 
1 1 1 4   7   6  o 332.666 6.2155  14855.77  553.690   14471.84  782.890   15239.99  783.181   328.356 8.9016  336.977 8.6771  -8.620483      12.43099 
1 1 1 4   7   7  o 521.117 9.6656  36582.76  1348.41   37984.91  1908.23   35184.39  1905.65   531.147 13.413  511.087 13.921  20.05997       19.33116 
1 1 1 4   7   8  o 324.931 6.0544  14177.92  526.669   13654.13  744.484   14702.67  745.162   318.908 8.7157  330.955 8.4061  -12.04700      12.10888 
1 1 1 4   7   9  o 389.840 7.2397  20433.12  755.956   20426.25  1069.11   20439.99  1069.05   389.774 10.241  389.906 10.236  -0.1316833     14.47941 
1 1 1 4   7   10 o 224.293 4.3604  6749.20   261.957   6724.96   370.429   6773.46   370.496   223.889 6.1771  224.697 6.1560  -0.8071289     8.720798 
1 1 1 4   7   11 o 137.599 2.8934  2538.25   106.635   2511.74   150.708   2564.84   150.903   136.879 4.1107  138.319 4.0731  -1.440582      5.786851 
1 1 1 4   7   12 o 229.350 4.4208  7067.53   271.507   7249.79   384.009   6885.34   383.930   232.316 6.1713  226.383 6.3317  5.932571       8.841639 
1 1 1 4   7   13 o 139.634 2.9183  2615.91   109.129   2556.75   154.140   2675.36   154.525   138.048 4.1686  141.219 4.0852  -3.170822      5.836666 
1 1 1 4   7   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   7   15 o 218.988 4.2926  6456.51   251.756   6571.84   356.022   6341.16   356.052   220.955 6.0157  217.022 6.1252  3.932877       8.585260 
1 1 1 4   7   16 o 191.371 3.7997  4928.05   194.699   5079.03   275.341   4777.06   275.352   194.316 5.2902  188.425 5.4558  5.891052       7.599494 
1 1 1 4   7   17 o 38.421  1.7854  198.748   18.270    197.374   25.718    200.148   25.961    38.286  2.5220  38.555  2.5279  -0.2690277     3.570782 
1 1 1 4   7   18 o 250.851 4.8732  8501.09   327.320   8235.69   462.431   8767.58   463.372   246.895 6.9927  254.807 6.7894  -7.911804      9.746479 
1 1 1 4   7   19 o 82.097  2.2037  904.823   48.423    941.034   68.313    868.255   68.648    83.752  3.0452  80.441  3.1861  3.310471       4.407341 
1 1 1 4   7   20 o 71.166  2.0660  679.418   39.380    670.500   55.551    688.427   55.835    70.696  2.9337  71.636  2.9099  -0.9398499     4.132093 
1 1 1 4   7   21 o 221.511 4.3347  6627.82   257.151   6500.88   363.253   6755.34   364.082   219.369 6.1822  223.653 6.0776  -4.284607      8.669361 
1 1 1 4   7   22 o 125.117 2.7538  2105.43   92.275    2138.14   130.234   2072.45   130.760   126.098 3.8559  124.136 3.9327  1.962196       5.507629 
1 1 1 4   7   23 o 121.301 2.7135  1980.68   88.158    1995.67   124.402   1965.57   124.948   121.765 3.8143  120.836 3.8605  0.9292374      5.426980 
1 1 1 4   7   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   7   25 o 31.568  1.9623  135.030   16.421    132.991   22.994    137.153   23.458    31.324  2.7692  31.813  2.7809  -0.4886246     3.924553 
1 1 1 4   7   26 o 68.865  2.0672  639.164   38.124    647.487   53.700    630.706   54.135    69.321  2.8921  68.408  2.9545  0.9132614      4.134408 
1 1 1 4   7   27 o 12.815  2.6251  22.602    9.5525    25.649    13.861    19.845    13.183    13.539  3.7116  12.091  3.7132  1.448107       5.250137 
1 1 1 4   7   28 o 44.337  1.9411  266.484   22.932    264.610   32.003    268.462   32.875    44.182  2.7175  44.493  2.7724  -0.3108177     3.882116 
1 1 1 4   7   29 o 19.167  2.3987  51.368    11.861    50.763    16.553    52.005    17.002    19.053  3.3667  19.280  3.4176  -0.2264328     4.797320 
1 1 1 4   7   30 o 55.038  2.0304  412.135   29.816    420.788   41.895    403.255   42.442    55.640  2.8204  54.436  2.9215  1.203648       4.060743 
1 1 1 4   7   31 o 13.028  2.5391  20.855    10.578    41.947    15.580    2.8188    14.408    17.209  3.4993  8.8476  3.6800  8.361555       5.078151 
1 1 1 4   7   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   7   33 o 46.480  2.0585  297.367   25.468    309.090   35.721    285.247   36.320    47.452  2.8233  45.509  2.9964  1.943531       4.116920 
1 1 1 4   7   34 o 27.255  2.2883  104.326   16.349    109.582   22.993    98.952    23.251    28.001  3.1187  26.508  3.3494  1.493141       4.576583 
1 1 1 4   7   35 o 26.837  2.2901  101.580   16.100    94.368    22.271    109.476   23.303    25.803  3.2978  27.870  3.1785  -2.066553      4.580202 
1 1 1 4   7   36 o 25.302  2.3973  91.858    15.824    94.362    22.203    89.272    22.558    25.700  3.3019  24.905  3.4764  0.7947845      4.794547 
1 1 1 4   7   37 o 29.674  2.3422  126.220   18.294    125.680   25.578    126.786   26.175    29.628  3.2780  29.720  3.3464  -0.9201813E-01 4.684371 
1 1 1 4   7   38 o 8.3807  2.5764  -0.5477   10.801    2.2278    15.653    -3.0705   14.923    8.8211  3.7610  7.9402  3.5224  0.8808413      5.152897 
1 1 1 4   7   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   7   40 o 24.664  2.7030  92.281    17.270    89.395    23.987    95.388    24.885    24.261  3.8173  25.066  3.8278  -0.8044357     5.405965 
1 1 1 4   8   0  o 159.411 3.2394  3405.97   138.252   3279.00   195.111   3534.02   195.929   156.425 4.6568  162.397 4.5043  -5.972290      6.478784 
1 1 1 4   8   1  o 719.721 13.198  70093.30  2542.13   73494.70  3597.75   66701.89  3592.47   737.334 18.217  702.108 19.103  35.22632       26.39667 
1 1 1 4   8   2  o 276.972 5.2249  10291.20  387.510   10574.43  548.215   10008.36  547.830   280.787 7.2893  273.157 7.4876  7.630066       10.44978 
1 1 1 4   8   3  o 424.776 7.8524  24247.17  893.401   24112.91  1263.41   24381.46  1263.51   423.596 11.135  425.957 11.075  -2.360260      15.70478 
1 1 1 4   8   4  o 741.432 13.647  74401.67  2709.56   76371.13  3833.54   72435.59  3830.25   751.338 19.049  731.527 19.548  19.81061       27.29477 
1 1 1 4   8   5  o 343.462 6.4317  15836.92  591.663   16010.69  837.099   15663.45  836.377   345.349 9.0496  341.575 9.1417  3.773773       12.86336 
1 1 1 4   8   6  o 279.736 5.3239  10498.58  398.882   10618.98  564.424   10378.46  563.785   281.340 7.4900  278.131 7.5679  3.209473       10.64772 
1 1 1 4   8   7  o 276.470 5.2336  10256.50  387.531   10414.44  548.334   10098.89  547.769   278.600 7.3481  274.340 7.4545  4.260712       10.46730 
1 1 1 4   8   8  o 427.299 7.8377  24575.13  897.019   24746.97  1268.74   24403.38  1268.41   428.800 11.047  425.799 11.122  3.001465       15.67537 
1 1 1 4   8   9  o 216.157 4.1996  6268.84   243.138   6338.82   344.025   6199.00   343.673   217.364 5.9090  214.949 5.9693  2.414612       8.399298 
1 1 1 4   8   10 o 209.626 4.0468  5898.25   227.191   6016.66   321.453   5780.07   321.139   211.733 5.6681  207.520 5.7776  4.213211       8.093690 
1 1 1 4   8   11 o 352.702 6.6035  16783.87  623.818   16951.40  882.325   16616.43  882.099   354.475 9.2930  350.929 9.3844  3.545166       13.20708 
1 1 1 4   8   12 o 77.960  2.0463  814.728   42.726    826.665   60.396    802.770   60.450    78.532  2.8713  77.387  2.9163  1.144402       4.092592 
1 1 1 4   8   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   8   14 o 174.321 3.4997  4085.44   163.288   3899.74   230.587   4272.24   231.261   170.333 5.0541  178.309 4.8422  -7.976028      6.999365 
1 1 1 4   8   15 f 22.873  1.8463  71.196    11.078    66.287    15.757    75.992    15.577    22.068  2.7235  23.678  2.4935  -1.610121      3.692557 
1 1 1 4   8   16 o 152.820 3.2130  3139.10   131.471   3039.56   185.672   3239.21   186.185   150.382 4.6096  155.258 4.4771  -4.876053      6.425956 
1 1 1 4   8   17 o 167.717 3.4221  3782.97   153.727   3805.39   217.240   3760.49   217.567   168.217 4.8215  167.217 4.8576  1.000381       6.844220 
1 1 1 4   8   18 o 106.674 2.5163  1527.57   71.895    1530.71   101.483   1524.41   101.868   106.785 3.5481  106.564 3.5689  0.2212982      5.032513 
1 1 1 4   8   19 o 153.632 3.1750  3173.67   130.645   3130.09   184.447   3217.54   185.074   152.571 4.5135  154.694 4.4667  -2.122986      6.350001 
1 1 1 4   8   20 o 128.484 2.8378  2218.95   97.654    2239.33   137.873   2198.43   138.336   129.079 3.9878  127.889 4.0384  1.189964       5.675525 
1 1 1 4   8   21 o 66.736  2.0109  597.707   35.943    594.398   50.504    601.103   51.166    66.549  2.8333  66.922  2.8544  -0.3731995     4.021859 
1 1 1 4   8   22 o 72.391  2.0992  703.909   40.702    702.801   57.386    705.032   57.738    72.334  2.9619  72.448  2.9754  -0.1137390     4.198330 
1 1 1 4   8   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   8   24 o 85.587  2.2099  986.218   50.660    984.449   71.393    988.012   71.897    85.510  3.1171  85.663  3.1335  -0.1522064     4.419860 
1 1 1 4   8   25 o 68.614  2.0883  634.316   38.378    628.350   54.059    640.379   54.494    68.288  2.9555  68.939  2.9512  -0.6511383     4.176650 
1 1 1 4   8   26 o 70.626  2.1062  673.473   39.835    687.546   56.202    659.265   56.469    71.375  2.9398  69.877  3.0171  1.497673       4.212473 
1 1 1 4   8   27 o 21.446  2.2489  63.592    12.446    54.786    17.300    73.041    17.919    19.835  3.3772  23.057  2.9706  -3.221838      4.497826 
1 1 1 4   8   28 o 39.868  1.9601  215.930   20.795    208.900   29.128    223.239   29.699    39.200  2.7924  40.537  2.7515  -1.337627      3.920278 
1 1 1 4   8   29 o 58.216  2.0237  461.393   31.367    504.593   44.202    417.574   44.518    61.048  2.7032  55.384  3.0123  5.663853       4.047382 
1 1 1 4   8   30 o 37.537  2.0243  192.572   20.188    197.883   28.405    187.153   28.696    38.077  2.8049  36.996  2.9196  1.081413       4.048629 
1 1 1 4   8   31 o 42.584  2.8831  248.193   32.691    248.193   32.691    0.0000    0.0000    42.584  2.8831  ?       ?       ?              ?        
1 1 1 4   8   32 o 35.706  2.0779  175.753   19.671    185.390   27.830    166.130   27.808    36.720  2.8519  34.693  3.0227  2.027336       4.155756 
1 1 1 4   8   33 o 49.329  2.0934  335.936   27.532    335.443   38.892    336.431   38.981    49.294  2.9593  49.365  2.9618  -0.7157516E-01 4.186886 
1 1 1 4   8   34 o 26.610  2.3637  100.815   16.211    119.292   23.028    82.662    22.825    29.217  2.9845  24.004  3.6663  5.212261       4.727481 
1 1 1 4   8   35 o 14.137  2.7785  28.864    12.109    46.064    16.887    10.661    17.373    17.720  3.6784  10.554  4.1652  7.165416       5.556945 
1 1 1 4   8   36 o 26.472  2.4756  101.197   17.121    100.406   24.075    102.007   24.354    26.369  3.4948  26.574  3.5072  -0.2055168     4.951165 
1 1 1 4   8   37 o 32.964  2.2965  156.467   19.652    187.146   27.935    126.405   27.653    36.428  2.8866  29.500  3.5725  6.927952       4.592961 
1 1 1 4   8   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   8   39 o 8.4052  2.6091  -1.7686   11.549    4.6232    15.673    -9.3617   17.083    9.0636  3.8090  7.7467  3.5668  1.316835       5.218293 
1 1 1 4   9   0  o 151.456 3.0981  3074.31   125.653   3144.00   177.456   3004.25   177.945   153.179 4.3252  149.734 4.4369  3.445068       6.196204 
1 1 1 4   9   1  o 546.839 10.020  40271.58  1467.56   40608.34  2075.53   39934.88  2075.35   549.138 14.111  544.541 14.229  4.597717       20.03951 
1 1 1 4   9   2  o 455.596 8.4130  27910.09  1026.59   28239.05  1451.97   27581.27  1451.66   458.291 11.828  452.901 11.967  5.389923       16.82597 
1 1 1 4   9   3  o 683.204 12.520  63083.44  2291.03   62752.98  3239.82   63413.98  3240.20   681.398 17.751  685.009 17.660  -3.611389      25.03953 
1 1 1 4   9   4  o 352.382 6.5888  16675.17  621.835   16929.24  879.763   16421.51  879.052   355.071 9.2504  349.692 9.3851  5.378601       13.17766 
1 1 1 4   9   5  o 146.154 3.0050  2862.48   117.637   2865.73   166.558   2859.23   166.171   146.236 4.2523  146.071 4.2472  0.1658325      6.010033 
1 1 1 4   9   6  o 320.006 6.1006  13754.21  522.852   13973.58  739.869   13535.37  738.981   322.562 8.5635  317.451 8.6910  5.111420       12.20110 
1 1 1 4   9   7  o 121.598 2.6579  1981.54   86.566    1973.11   122.596   1989.93   122.251   121.340 3.7721  121.856 3.7456  -0.5165710     5.315825 
1 1 1 4   9   8  o 202.048 3.9380  5477.82   213.079   5354.42   301.357   5601.19   301.321   199.768 5.6321  204.328 5.5057  -4.560028      7.876091 
1 1 1 4   9   9  o 288.188 5.3651  11170.25  414.131   11094.12  585.701   11246.37  585.639   287.202 7.6138  289.174 7.5610  -1.972473      10.73028 
1 1 1 4   9   10 o 210.734 4.1407  5967.98   233.610   6186.27   330.693   5750.52   330.056   214.593 5.7533  206.875 5.9565  7.718506       8.281343 
1 1 1 4   9   11 o 178.806 5.0504  4304.72   241.775   4131.43   338.791   4484.56   345.142   175.128 7.2225  182.483 7.0613  -7.354507      10.10082 
1 1 1 4   9   12 o 104.863 4.7533  1477.01   133.508   0.0000    0.0000    1477.01   133.508   ?       ?       104.863 4.7533  ?              ?        
1 1 1 4   9   13 o 193.398 3.7977  5030.39   196.703   4940.58   278.004   5120.43   278.357   191.663 5.4153  195.134 5.3257  -3.470901      7.595337 
1 1 1 4   9   14 o 166.758 3.4147  3737.96   152.519   3759.90   215.616   3715.98   215.773   167.250 4.8131  166.266 4.8451  0.9838409      6.829458 
1 1 1 4   9   15 o 32.781  1.8006  144.958   15.684    147.168   22.132    142.728   22.228    33.036  2.5202  32.526  2.5724  0.5097885      3.601222 
1 1 1 4   9   16 o 40.922  1.8596  225.445   20.274    222.976   28.488    227.979   28.858    40.694  2.6277  41.150  2.6321  -0.4555893     3.719183 
1 1 1 4   9   17 o 107.638 2.5048  1555.27   72.214    1565.35   101.981   1545.12   102.271   107.989 3.5257  107.287 3.5589  0.7022552      5.009670 
1 1 1 4   9   18 o 169.642 3.4804  3872.61   158.137   3825.30   223.317   3920.19   223.964   168.599 4.9451  170.685 4.8989  -2.085953      6.960828 
1 1 1 4   9   19 o 172.842 3.5250  4023.91   163.151   4124.72   230.603   3922.88   230.858   175.022 4.9191  170.661 5.0504  4.361069       7.050058 
1 1 1 4   9   20 o 107.696 2.5182  1558.66   72.617    1507.08   102.350   1610.95   103.046   105.897 3.6084  109.495 3.5136  -3.598488      5.036443 
1 1 1 4   9   21 o 14.427  2.5762  28.872    10.035    23.209    13.853    35.124    14.556    13.002  3.7627  15.853  3.5198  -2.850811      5.152430 
1 1 1 4   9   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   9   23 o 47.666  1.9151  306.424   24.348    303.973   34.181    308.948   34.692    47.473  2.6992  47.859  2.7175  -0.3858566     3.830259 
1 1 1 4   9   24 o 163.731 3.4365  3648.48   150.700   3605.16   212.746   3692.10   213.499   162.744 4.8805  164.717 4.8391  -1.973053      6.872901 
1 1 1 4   9   25 o 100.304 2.4836  1362.30   66.702    1397.27   94.111    1327.00   94.552    101.614 3.4578  98.993  3.5660  2.620674       4.967131 
1 1 1 4   9   26 o 15.190  2.4878  32.500    10.065    42.395    14.471    23.227    14.009    17.427  3.2188  12.952  3.7942  4.475080       4.975545 
1 1 1 4   9   27 o 50.830  1.9730  350.497   26.753    357.203   37.796    343.763   37.874    51.326  2.7594  50.334  2.8206  0.9915695      3.945929 
1 1 1 4   9   28 o 58.461  2.0537  463.843   32.097    450.761   45.138    477.222   45.649    57.583  2.9363  59.339  2.8721  -1.755760      4.107466 
1 1 1 4   9   29 o 31.388  2.1136  136.198   17.259    162.970   24.500    109.827   24.316    34.576  2.6660  28.200  3.2805  6.375961       4.227203 
1 1 1 4   9   30 o 45.228  2.0263  279.430   24.413    270.632   34.116    288.663   34.950    44.492  2.8782  45.964  2.8529  -1.471813      4.052585 
1 1 1 4   9   31 o 54.084  2.0807  401.400   30.010    411.954   42.166    390.566   42.722    54.833  2.8811  53.334  3.0028  1.498177       4.161398 
1 1 1 4   9   32 o 26.633  2.3719  100.019   16.409    111.923   23.100    87.895    23.313    28.352  3.0920  24.914  3.5978  3.438103       4.743887 
1 1 1 4   9   33 o 34.718  2.1749  168.357   19.854    144.290   27.720    193.710   28.451    32.058  3.2742  37.378  2.8635  -5.320755      4.349707 
1 1 1 4   9   34 o 12.802  2.6336  19.826    11.595    -2.1258   16.163    43.102    16.644    8.4742  3.7161  17.130  3.7329  -8.655862      5.267295 
1 1 1 4   9   35 o 8.0092  2.4836  -2.0040   10.239    0.1677    14.431    -4.2056   14.530    8.2806  3.5722  7.7377  3.4515  0.5428729      4.967278 
1 1 1 4   9   36 o 33.709  2.2699  161.688   20.147    142.785   27.899    182.286   29.124    31.547  3.3531  35.871  3.0606  -4.323299      4.539894 
1 1 1 4   9   37 o 23.982  2.8585  87.297    17.184    57.022    23.801    120.261   24.836    19.064  4.6926  28.900  3.2657  -9.835974      5.717058 
1 1 1 4   9   38 o 12.353  3.0460  21.465    12.698    13.865    17.782    29.373    18.139    10.906  4.2404  13.801  4.3739  -2.895185      6.091916 
1 1 1 4   9   39 o 13.405  3.1443  27.742    13.910    39.231    19.340    15.431    20.020    15.543  4.4301  11.267  4.4634  4.276544       6.288675 
1 1 1 4   10  0  o 98.378  2.3137  1296.83   60.921    1233.27   85.809    1361.42   86.506    95.946  3.3390  100.810 3.2037  -4.863396      4.627373 
1 1 1 4   10  1  o 559.459 10.264  42183.22  1538.06   41819.79  2174.59   42547.03  2175.70   557.033 14.575  561.885 14.456  -4.851318      20.52850 
1 1 1 4   10  2  o 317.358 5.9271  13519.70  503.746   13793.53  712.497   13246.01  712.312   320.579 8.2977  314.138 8.4657  6.440918       11.85411 
1 1 1 4   10  3  o 531.483 9.8586  38090.70  1402.96   39247.95  1985.00   36935.57  1983.19   539.604 13.734  523.363 14.147  16.24023       19.71716 
1 1 1 4   10  4  o 105.258 2.4004  1484.57   67.667    1457.07   95.710    1512.05   95.681    104.283 3.4266  106.233 3.3626  -1.950203      4.800893 
1 1 1 4   10  5  o 117.667 2.6312  1855.51   82.921    1836.06   117.434   1874.84   117.101   117.051 3.7457  118.282 3.6962  -1.230438      5.262302 
1 1 1 4   10  6  o 301.330 5.6872  12204.01  459.013   12137.65  649.352   12270.29  648.933   300.508 8.0674  302.152 8.0183  -1.644012      11.37441 
1 1 1 4   10  7  o 331.993 6.1918  14838.64  550.602   14834.27  778.894   14843.01  778.443   331.944 8.7604  332.043 8.7527  -0.9936523E-01 12.38366 
1 1 1 4   10  8  o 389.519 7.2080  20500.79  751.954   20172.32  1063.31   20829.39  1063.53   386.371 10.275  392.668 10.112  -6.297211      14.41602 
1 1 1 4   10  9  o 162.263 3.3236  3534.86   144.408   3439.01   204.275   3630.63   204.173   160.059 4.7648  164.468 4.6348  -4.409103      6.647142 
1 1 1 4   10  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   10  11 o 200.261 3.9311  5394.14   210.822   5272.40   298.133   5515.91   298.160   197.991 5.6218  202.531 5.4963  -4.539673      7.862188 
1 1 1 4   10  12 o 112.909 2.5193  1710.56   76.188    1702.27   107.798   1718.84   107.694   112.635 3.5731  113.183 3.5524  -0.5482941     5.038521 
1 1 1 4   10  13 o 67.713  1.9687  614.922   35.699    601.068   50.535    628.722   50.438    66.951  2.8180  68.476  2.7500  -1.524918      3.937476 
1 1 1 4   10  14 o 167.721 3.4106  3782.52   153.192   3703.93   216.522   3861.28   216.771   165.970 4.8706  169.472 4.7755  -3.501953      6.821126 
1 1 1 4   10  15 o 92.026  2.2850  1136.30   56.320    1150.33   79.686    1122.30   79.612    92.595  3.2130  91.458  3.2499  1.136772       4.570001 
1 1 1 4   10  16 o 94.630  2.3267  1202.45   58.916    1262.80   83.284    1142.01   83.357    97.013  3.2051  92.247  3.3737  4.765778       4.653432 
1 1 1 4   10  17 o 116.348 2.5845  1818.19   80.495    1743.71   113.609   1893.28   114.067   113.949 3.7223  118.747 3.5863  -4.798241      5.168912 
1 1 1 4   10  18 o 138.762 2.9945  2589.26   111.293   2606.27   157.199   2572.15   157.586   139.222 4.2155  138.303 4.2540  0.9194336      5.988954 
1 1 1 4   10  19 o 55.099  1.9451  408.269   28.621    429.193   40.437    387.263   40.515    56.556  2.6694  53.642  2.8299  2.914177       3.890214 
1 1 1 4   10  20 f 107.399 2.5471  1551.56   73.271    1536.72   103.412   1566.52   103.832   106.882 3.6122  107.916 3.5921  -1.033943      5.094285 
1 1 1 4   10  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   10  22 o 32.179  1.9602  140.295   16.709    131.786   23.480    149.025   23.782    31.174  2.8433  33.185  2.6990  -2.010607      3.920344 
1 1 1 4   10  23 o 76.014  2.1361  778.658   43.488    777.766   61.158    779.571   61.852    75.972  3.0054  76.056  3.0362  -0.8330536E-01 4.272144 
1 1 1 4   10  24 o 100.291 2.4651  1361.27   66.215    1369.47   93.369    1352.97   93.918    100.601 3.4651  99.981  3.5071  0.6203079      4.930126 
1 1 1 4   10  25 o 61.948  2.0417  518.525   33.874    523.795   47.766    513.193   48.046    62.269  2.8639  61.627  2.9107  0.6421432      4.083370 
1 1 1 4   10  26 o 11.471  2.4022  15.980    9.2580    -0.0852   13.331    30.946    12.867    8.1284  3.4684  14.814  3.3245  -6.685264      4.804341 
1 1 1 4   10  27 o 54.023  2.0008  395.845   28.863    373.091   40.499    419.330   41.145    52.392  2.8972  55.655  2.7601  -3.263565      4.001506 
1 1 1 4   10  28 o 21.108  2.4197  62.274    13.208    61.873    18.431    62.697    18.938    21.046  3.3842  21.170  3.4594  -0.1235809     4.839440 
1 1 1 4   10  29 o 32.648  2.0940  146.220   18.101    139.674   25.231    153.162   25.983    31.882  2.9895  33.414  2.9329  -1.531708      4.187981 
1 1 1 4   10  30 o 34.807  2.1120  166.850   19.497    167.487   27.368    166.195   27.783    34.885  2.9568  34.730  3.0167  0.1549072      4.224098 
1 1 1 4   10  31 o 26.460  2.3751  98.976    16.200    115.690   22.845    82.072    22.976    28.876  2.9974  24.044  3.6850  4.831575       4.750154 
1 1 1 4   10  32 o 31.102  2.1673  134.993   17.805    129.034   25.111    141.019   25.251    30.379  3.1309  31.825  2.9975  -1.446341      4.334504 
1 1 1 4   10  33 o 28.511  2.2765  115.223   16.921    99.327    23.828    131.394   24.033    26.389  3.4541  30.632  2.9663  -4.243671      4.552972 
1 1 1 4   10  34 o 8.7907  2.4690  -0.4979   10.236    17.002    14.315    -18.8113  14.644    11.244  3.8963  6.3370  3.0334  4.907403       4.937902 
1 1 1 4   10  35 f 8.7525  2.5429  -0.2579   10.618    -14.7368  15.012    14.237    15.021    6.7729  3.1919  10.732  3.9594  -3.959353      5.085740 
1 1 1 4   10  36 o 19.205  2.9979  56.164    14.976    55.233    20.405    57.251    22.048    19.093  4.1115  19.317  4.3642  -0.2237930     5.995868 
1 1 1 4   10  37 o 18.405  3.0028  52.595    14.565    60.459    20.692    44.874    20.504    19.919  4.0170  16.891  4.4644  3.028118       6.005588 
1 1 1 4   10  38 o 8.7480  2.6600  1.5148    11.348    7.0721    16.522    -3.4484   15.614    9.5404  3.9522  7.9557  3.5612  1.584711       5.319986 
1 1 1 4   11  0  o 213.368 4.1879  6109.83   239.021   6472.09   337.953   5747.24   338.101   219.710 5.7427  207.026 6.0972  12.68333       8.375872 
1 1 1 4   11  1  o 282.446 5.3242  10706.80  402.754   10860.95  569.391   10552.43  569.770   284.485 7.4724  280.406 7.5862  4.078522       10.64835 
1 1 1 4   11  2  o 207.273 4.0630  5761.76   225.553   5839.00   318.895   5684.43   319.066   208.665 5.7057  205.881 5.7860  2.784348       8.126017 
1 1 1 4   11  3  o 554.612 10.266  41606.35  1525.01   41562.18  2156.62   41650.52  2156.77   554.315 14.525  554.909 14.511  -0.5942993     20.53172 
1 1 1 4   11  4  o 211.864 4.1468  6023.56   235.282   6156.41   332.951   5891.04   332.527   214.201 5.8032  209.526 5.9252  4.675751       8.293673 
1 1 1 4   11  5  o 167.123 3.3663  3746.33   150.685   3731.87   213.292   3760.74   212.910   166.801 4.7741  167.446 4.7471  -0.6453857     6.732543 
1 1 1 4   11  6  o 305.514 5.7984  12569.60  474.477   12680.69  671.400   12458.77  670.625   306.869 8.1685  304.159 8.2317  2.710022       11.59676 
1 1 1 4   11  7  o 218.156 4.2658  6396.56   249.261   6414.76   352.815   6378.43   352.202   218.466 6.0294  217.846 6.0360  0.6203003      8.531556 
1 1 1 4   11  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   11  9  o 177.127 3.5579  4215.55   168.789   4272.63   238.986   4158.74   238.423   178.327 5.0034  175.928 5.0597  2.399216       7.115800 
1 1 1 4   11  10 o 96.061  2.3135  1237.91   59.494    1289.23   84.382    1187.18   83.893    98.043  3.2132  94.078  3.3293  3.965134       4.626988 
1 1 1 4   11  11 o 62.798  1.9175  528.988   32.234    510.622   45.714    547.150   45.460    61.712  2.7656  63.884  2.6567  -2.172100      3.834970 
1 1 1 4   11  12 o 106.478 2.4829  1521.41   70.810    1534.62   100.299   1508.28   99.984    106.939 3.5016  106.017 3.5210  0.9227219      4.965771 
1 1 1 4   11  13 o 104.079 2.4419  1453.70   68.070    1477.43   96.418    1430.13   96.113    104.927 3.4307  103.231 3.4760  1.695908       4.883894 
1 1 1 4   11  14 o 103.208 2.4465  1430.38   67.570    1359.21   95.508    1501.70   95.609    100.631 3.5434  105.785 3.3743  -5.154045      4.892995 
1 1 1 4   11  15 f 163.722 3.3798  3605.04   148.208   3633.90   209.621   3576.19   209.574   164.380 4.7610  163.064 4.7983  1.315704       6.759510 
1 1 1 4   11  16 o 106.588 2.5167  1525.44   71.850    1535.00   101.646   1515.89   101.576   106.923 3.5492  106.254 3.5691  0.6694641      5.033437 
1 1 1 4   11  17 f 66.513  2.0040  593.659   35.696    581.666   50.516    605.618   50.447    65.841  2.8645  67.185  2.8033  -1.344627      4.007973 
1 1 1 4   11  18 o 164.883 3.3561  3664.03   148.205   3609.77   209.395   3718.50   209.794   163.653 4.7770  166.113 4.7152  -2.460129      6.712127 
1 1 1 4   11  19 o 48.567  1.9186  318.258   24.793    343.608   35.021    292.789   35.103    50.527  2.5965  46.607  2.8253  3.919643       3.837178 
1 1 1 4   11  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   11  21 o 61.355  1.9879  506.226   32.648    482.159   45.802    531.086   46.551    59.869  2.8562  62.842  2.7656  -2.972904      3.975758 
1 1 1 4   11  22 o 44.814  1.9010  271.273   22.707    271.856   31.764    270.664   32.472    44.868  2.6549  44.760  2.7215  0.1081276      3.801940 
1 1 1 4   11  23 o 47.777  1.9309  308.600   24.604    302.586   34.549    314.788   35.046    47.302  2.7386  48.251  2.7228  -0.9499054     3.861841 
1 1 1 4   11  24 o 96.578  2.4325  1264.64   62.910    1228.81   88.544    1301.17   89.399    95.185  3.4730  97.971  3.4068  -2.786011      4.864968 
1 1 1 4   11  25 o 39.048  1.9574  207.155   20.322    217.650   28.886    196.869   28.597    40.044  2.7091  38.052  2.8259  1.991508       3.914726 
1 1 1 4   11  26 o 24.189  2.2045  80.633    13.939    76.493    19.471    84.985    19.963    23.531  3.1700  24.847  3.0645  -1.316435      4.409065 
1 1 1 4   11  27 o 55.914  2.0375  425.359   30.416    446.503   42.875    403.936   43.157    57.378  2.7898  54.451  2.9703  2.926220       4.074992 
1 1 1 4   11  28 o 32.707  2.0853  146.938   18.039    149.715   24.943    143.892   26.120    33.061  2.8444  32.353  3.0502  0.7080460      4.170686 
1 1 1 4   11  29 o 18.503  2.5621  50.176    12.445    21.565    17.234    81.349    17.989    12.739  4.2784  24.268  2.8202  -11.52921      5.124253 
1 1 1 4   11  30 o 18.805  2.7703  52.001    13.611    70.608    19.266    33.461    19.231    22.400  3.3109  15.210  4.4426  7.189864       5.540663 
1 1 1 4   11  31 o 23.480  2.5222  79.294    15.173    90.173    21.072    67.581    21.866    25.341  3.1742  21.619  3.9205  3.722200       5.044361 
1 1 1 4   11  32 o 43.560  2.1384  265.434   24.691    289.579   34.783    240.910   35.055    45.663  2.8583  41.457  3.1812  4.206104       4.276705 
1 1 1 4   11  33 o 29.782  2.3001  125.936   17.990    137.692   25.709    114.655   25.184    31.226  3.1154  28.338  3.3848  2.887888       4.600297 
1 1 1 4   11  34 o 34.788  2.2571  172.637   20.649    189.781   28.837    154.596   29.582    36.720  2.9570  32.857  3.4110  3.863037       4.514291 
1 1 1 4   11  35 o 24.903  2.6170  90.888    16.735    75.201    23.218    107.850   24.142    22.450  4.0082  27.356  3.3658  -4.905447      5.233954 
1 1 1 4   11  36 o 34.289  2.4107  170.911   21.760    184.945   30.672    156.689   30.876    35.853  3.2285  32.725  3.5810  3.127815       4.821481 
1 1 1 4   11  37 o 16.102  3.1837  41.622    14.280    38.946    19.959    44.427    20.438    15.572  4.5195  16.632  4.4852  -1.060514      6.367313 
1 1 1 4   12  0  o 334.170 6.2589  15011.48  560.159   15246.28  791.931   14776.38  792.438   336.795 8.7787  331.545 8.9235  5.250641       12.51778 
1 1 1 4   12  1  o 75.536  2.0135  764.437   40.722    736.375   57.300    793.073   57.882    74.135  2.8856  76.937  2.8088  -2.802055      4.026944 
1 1 1 4   12  2  o 327.323 6.1408  14415.80  538.366   14550.69  761.311   14280.87  761.419   328.862 8.6429  325.784 8.7258  3.077759       12.28165 
1 1 1 4   12  3  o 126.281 2.7361  2138.00   92.542    2116.33   130.782   2159.74   130.967   125.639 3.8863  126.923 3.8524  -1.283234      5.472138 
1 1 1 4   12  4  o 181.845 3.6082  4438.78   175.716   4345.10   248.479   4532.50   248.522   179.921 5.1561  183.768 5.0490  -3.847351      7.216464 
1 1 1 4   12  5  o 226.692 4.4182  6913.06   267.973   7302.18   379.533   6526.22   378.413   233.081 6.0793  220.304 6.4129  12.77695       8.836479 
1 1 1 4   12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   12  7  o 74.594  2.7325  776.293   49.608    676.754   87.811    822.954   60.122    70.838  4.6539  78.349  2.8649  -7.511002      5.465017 
1 1 1 4   12  8  o 51.704  1.8134  358.780   25.060    371.750   35.639    346.095   35.245    52.663  2.5266  50.745  2.6018  1.917503       3.626709 
1 1 1 4   12  9  o 120.287 2.6368  1942.13   84.909    2022.83   120.394   1862.27   119.766   122.778 3.6610  117.796 3.7959  4.982323       5.273686 
1 1 1 4   12  10 o 130.871 2.8311  2299.64   99.236    2279.88   140.513   2319.30   140.170   130.309 4.0258  131.434 3.9816  -1.125412      5.662196 
1 1 1 4   12  11 o 122.473 2.6719  2013.56   87.644    2039.33   124.200   1987.99   123.698   123.255 3.7621  121.691 3.7950  1.563919       5.343705 
1 1 1 4   12  12 o 67.562  2.0221  612.221   36.588    608.327   52.026    616.032   51.466    67.349  2.8841  67.775  2.8350  -0.4267807     4.044148 
1 1 1 4   12  13 o 130.910 2.8379  2302.35   99.462    2222.34   140.663   2382.35   140.659   128.628 4.0828  133.191 3.9428  -4.563461      5.675802 
1 1 1 4   12  14 o 157.677 3.2425  3342.87   136.939   3371.99   193.754   3313.80   193.569   158.365 4.5677  156.988 4.6034  1.377029       6.485034 
1 1 1 4   12  15 o 327.310 6.2437  14581.70  547.377   14615.26  774.117   14548.15  774.099   327.692 8.8196  326.927 8.8401  0.7653809      12.48733 
1 1 1 4   12  16 o 97.491  2.3642  1276.45   61.723    1308.23   87.391    1244.81   87.190    98.705  3.3055  96.276  3.3811  2.428505       4.728441 
1 1 1 4   12  17 o 182.346 3.6871  4488.83   180.076   4525.94   254.638   4451.70   254.695   183.106 5.1920  181.585 5.2366  1.520203       7.374186 
1 1 1 4   12  18 o 135.185 5.8068  2477.50   210.260   2477.50   210.260   0.0000    0.0000    135.185 5.8068  ?       ?       ?              ?        
1 1 1 4   12  19 o 75.738  2.1143  771.312   42.890    767.070   60.608    775.566   60.704    75.529  2.9959  75.947  2.9841  -0.4183121     4.228548 
1 1 1 4   12  20 o 87.333  2.2672  1027.38   53.035    1028.83   74.920    1025.93   75.086    87.396  3.2005  87.270  3.2122  0.1255341      4.534491 
1 1 1 4   12  21 o 80.983  2.2155  884.758   48.002    832.588   67.592    937.841   68.181    78.559  3.2123  83.406  3.0520  -4.847481      4.430919 
1 1 1 4   12  22 o 52.648  1.9488  374.695   27.375    361.374   38.533    388.268   38.896    51.694  2.7933  53.602  2.7181  -1.907864      3.897526 
1 1 1 4   12  23 o 32.200  1.9590  141.003   16.729    141.172   23.467    140.828   23.853    32.225  2.7450  32.176  2.7955  0.4843521E-01  3.917906 
1 1 1 4   12  24 o 54.608  1.9940  404.337   29.064    409.649   41.040    398.993   41.165    54.974  2.7963  54.242  2.8433  0.7324600      3.987941 
1 1 1 4   12  25 o 32.439  2.0360  143.843   17.468    134.194   24.762    153.401   24.645    31.323  2.9877  33.555  2.7668  -2.232006      4.072041 
1 1 1 4   12  26 o 41.520  2.0305  235.182   22.419    246.123   31.656    224.174   31.754    42.512  2.7957  40.527  2.9454  1.985741       4.060955 
1 1 1 4   12  27 o 38.317  3.8649  204.118   39.125    204.118   39.125    0.0000    0.0000    38.317  3.8649  ?       ?       ?              ?        
1 1 1 4   12  28 o 14.596  2.8135  30.534    11.495    37.632    16.146    23.240    16.368    16.187  3.7907  13.006  4.1584  3.180270       5.626922 
1 1 1 4   12  29 o 35.093  2.1382  170.203   19.898    166.259   27.858    174.311   28.431    34.673  3.0301  35.513  3.0176  -0.8398209     4.276329 
1 1 1 4   12  30 o 60.078  2.1626  498.923   34.720    478.145   48.645    520.498   49.570    58.740  3.1029  61.417  3.0133  -2.677105      4.325242 
1 1 1 4   12  31 o 54.005  2.1282  405.912   30.657    408.769   43.033    402.969   43.685    54.222  2.9744  53.788  3.0447  0.4339714      4.256421 
1 1 1 4   12  32 o 16.806  2.9891  42.396    13.444    41.005    18.912    43.817    19.115    16.521  4.2497  17.091  4.2045  -0.5707550     5.978130 
1 1 1 4   12  33 o 21.707  2.6752  69.227    14.912    58.488    20.780    80.629    21.413    19.797  4.0552  23.616  3.4903  -3.818987      5.350391 
1 1 1 4   12  34 o 15.963  3.0870  38.977    13.586    40.291    19.061    37.621    19.370    16.244  4.3098  15.683  4.4210  0.5614481      6.174090 
1 1 1 4   12  35 o 29.569  2.4829  127.407   19.261    120.877   26.965    134.210   27.522    28.741  3.5803  30.396  3.4411  -1.654726      4.965834 
1 1 1 4   12  36 o 13.689  3.1046  28.076    13.446    16.961    18.597    40.253    19.464    11.469  4.3679  15.909  4.4130  -4.440324      6.209146 
1 1 1 4   13  0  o 207.907 4.0594  5803.31   226.030   5902.96   319.310   5703.23   319.999   209.701 5.6849  206.113 5.7963  3.587601       8.118848 
1 1 1 4   13  1  o 380.488 7.1150  19548.92  725.050   19825.55  1025.24   19272.16  1025.51   383.203 9.9887  377.772 10.135  5.430817       14.22992 
1 1 1 4   13  2  o 182.757 3.6472  4485.87   178.426   4667.19   252.327   4304.54   252.337   186.461 5.0523  179.052 5.2615  7.408524       7.294461 
1 1 1 4   13  3  o 136.476 2.9178  2498.83   106.659   2489.38   150.692   2508.33   150.986   136.217 4.1302  136.735 4.1226  -0.5179749     5.835570 
1 1 1 4   13  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   13  5  o 151.773 3.1471  3093.04   127.916   3033.57   181.005   3152.37   180.797   150.311 4.4958  153.234 4.4050  -2.922729      6.294167 
1 1 1 4   13  6  o 122.548 2.7083  2015.59   88.886    1979.67   125.915   2051.26   125.493   121.457 3.8705  123.639 3.7895  -2.181686      5.416700 
1 1 1 4   13  7  o 224.792 4.4039  6806.47   265.122   6683.09   375.182   6929.52   374.698   222.745 6.2885  226.840 6.1670  -4.094528      8.807754 
1 1 1 4   13  8  o 154.370 3.2268  3201.95   133.411   3161.12   188.941   3242.55   188.404   153.384 4.5989  155.355 4.5277  -1.970901      6.453671 
1 1 1 4   13  9  o 40.774  1.8230  224.144   19.771    210.556   28.121    237.426   27.802    39.538  2.6710  42.011  2.4818  -2.472733      3.646032 
1 1 1 4   13  10 o 110.359 2.5335  1635.11   74.862    1586.09   105.999   1683.89   105.743   108.705 3.6405  112.014 3.5244  -3.309090      5.067059 
1 1 1 4   13  11 o 121.940 2.7137  1996.42   88.625    2032.99   125.683   1960.26   124.990   123.053 3.8132  120.828 3.8621  2.225067       5.427364 
1 1 1 4   13  12 o 81.799  2.1732  898.557   47.543    842.226   67.264    954.794   67.208    79.230  3.1696  84.368  2.9741  -5.137909      4.346448 
1 1 1 4   13  13 o 42.409  1.8884  243.118   21.224    215.693   30.118    270.170   29.913    40.001  2.8293  44.818  2.5018  -4.816761      3.776789 
1 1 1 4   13  14 o 134.302 2.8703  2424.36   103.250   2438.36   146.171   2410.43   145.866   134.690 4.0517  133.915 4.0666  0.7753906      5.740529 
1 1 1 4   13  15 o 152.610 3.1769  3135.63   129.838   3203.12   183.751   3068.32   183.487   154.259 4.4472  150.962 4.5378  3.296631       6.353742 
1 1 1 4   13  16 o 165.716 3.3846  3705.32   150.171   3831.64   212.528   3579.38   212.220   168.557 4.7074  162.876 4.8645  5.681564       6.769291 
1 1 1 4   13  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   13  18 o 17.139  2.4352  41.180    10.782    35.246    15.351    46.957    15.147    15.857  3.6845  18.421  3.1851  -2.563577      4.870390 
1 1 1 4   13  19 o 41.046  1.8985  227.632   20.743    237.520   29.383    217.809   29.288    41.946  2.6285  40.146  2.7400  1.799507       3.796970 
1 1 1 4   13  20 o 62.605  2.0175  528.165   33.817    547.241   47.927    509.252   47.722    63.737  2.8074  61.473  2.8983  2.263870       4.035034 
1 1 1 4   13  21 o 81.317  2.2144  893.439   48.227    877.256   68.034    909.784   68.373    80.572  3.1525  82.062  3.1107  -1.489822      4.428831 
1 1 1 4   13  22 o 63.201  2.0634  539.977   34.919    554.898   49.342    525.007   49.424    64.085  2.8746  62.318  2.9610  1.766678       4.126838 
1 1 1 4   13  23 o 73.109  2.1430  723.833   41.962    711.694   58.998    736.260   59.695    72.487  3.0387  73.732  3.0227  -1.244766      4.286067 
1 1 1 4   13  24 o 62.810  2.1010  534.885   35.346    533.593   49.834    536.192   50.140    62.736  2.9657  62.885  2.9768  -0.1497307     4.201962 
1 1 1 4   13  25 o 58.573  2.0567  466.292   32.205    453.412   45.292    479.463   45.801    57.710  2.9399  59.435  2.8770  -1.725548      4.113374 
1 1 1 4   13  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   13  27 o 29.451  2.1919  119.981   17.024    123.213   24.018    116.718   24.133    29.870  3.0445  29.032  3.1542  0.8379269      4.383832 
1 1 1 4   13  28 o 62.134  2.1448  530.277   35.687    538.401   50.240    522.002   50.701    62.634  2.9947  61.634  3.0712  0.9998512      4.289575 
1 1 1 4   13  29 o 9.3588  2.6158  5.3941    10.234    -3.6009   14.488    14.353    14.459    7.8840  3.4854  10.834  3.9014  -2.949629      5.231503 
1 1 1 4   13  30 o 19.442  2.7408  55.628    13.763    71.826    19.723    40.256    19.214    22.440  3.3868  16.444  4.3101  5.996584       5.481549 
1 1 1 4   13  31 o 17.123  2.9040  43.661    13.239    35.691    18.408    52.201    19.054    15.439  4.2948  18.808  3.9099  -3.368308      5.808006 
1 1 1 4   13  32 o 8.1787  2.5058  -2.0954   10.480    -10.2766  15.085    5.5369    14.570    7.2301  3.3371  9.1273  3.7389  -1.897170      5.011553 
1 1 1 4   13  33 f 26.563  2.5152  102.468   17.377    110.358   24.444    94.406    24.708    27.717  3.3613  25.408  3.7427  2.309122       5.030495 
1 1 1 4   13  34 o 25.148  2.7557  95.965    17.415    119.284   24.291    71.299    24.982    28.809  3.2021  21.486  4.4858  7.323137       5.511432 
1 1 1 4   13  35 o 24.526  2.7248  90.799    17.246    100.432   24.631    81.534    24.156    25.966  3.6416  23.086  4.0543  2.879980       5.449640 
1 1 1 4   14  0  o 148.754 4.3879  2976.84   174.722   3029.51   244.259   2921.65   250.031   150.115 6.0749  147.394 6.3332  2.720871       8.775750 
1 1 1 4   14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   14  2  o 145.417 4.3383  2848.25   168.777   2730.99   240.917   2961.27   236.516   142.454 6.3140  148.379 5.9511  -5.924606      8.676554 
1 1 1 4   14  3  o 185.156 3.7201  4608.06   184.480   4547.84   260.719   4668.44   261.071   183.940 5.2918  186.371 5.2299  -2.430923      7.440104 
1 1 1 4   14  4  o 98.089  2.3612  1290.63   62.029    1266.31   87.650    1315.03   87.795    97.162  3.3679  99.017  3.3104  -1.854408      4.722449 
1 1 1 4   14  5  o 23.621  1.9047  76.295    11.661    62.683    16.420    90.144    16.563    21.421  2.9392  25.820  2.4233  -4.398085      3.809399 
1 1 1 4   14  6  o 192.533 3.8713  4987.39   199.637   5017.25   282.623   4957.64   282.038   193.110 5.4640  191.956 5.4855  1.154129       7.742515 
1 1 1 4   14  7  o 154.078 3.2136  3190.28   132.607   3141.31   187.846   3238.92   187.223   152.894 4.5869  155.261 4.5020  -2.366806      6.427150 
1 1 1 4   14  8  o 21.389  2.0502  62.473    11.443    63.215    16.186    61.731    16.178    21.521  2.8803  21.257  2.9185  0.2641296      4.100491 
1 1 1 4   14  9  o 11.916  2.4460  16.151    9.4301    33.691    14.052    1.7811    12.719    15.540  3.4644  8.2916  3.4540  7.248631       4.892075 
1 1 1 4   14  10 o 92.415  2.3199  1145.90   57.419    1171.58   81.543    1120.64   80.867    93.444  3.2580  91.387  3.3037  2.056396       4.639889 
1 1 1 4   14  11 o 63.495  1.9839  540.797   33.676    585.443   48.072    497.773   47.191    66.071  2.7164  60.918  2.8922  5.153282       3.967815 
1 1 1 4   14  12 o 78.325  2.1700  823.120   45.521    839.394   64.683    807.152   64.073    79.092  3.0533  77.557  3.0844  1.535393       4.340047 
1 1 1 4   14  13 o 74.147  2.0694  737.804   41.098    735.247   58.329    740.325   57.915    74.019  2.9421  74.276  2.9111  -0.2567673     4.138867 
1 1 1 4   14  14 o 109.089 2.5666  1599.70   74.994    1595.37   106.221   1604.01   105.895   108.940 3.6403  109.238 3.6192  -0.2971039     5.133247 
1 1 1 4   14  15 o 70.989  2.6323  667.087   46.315    647.314   55.558    712.132   83.854    69.417  2.9881  72.560  4.3344  -3.143570      5.264522 
1 1 1 4   14  16 o 97.100  3.3779  1269.23   87.456    1374.28   129.755   1181.79   118.389   100.817 4.8051  93.383  4.7488  7.433418       6.755747 
1 1 1 4   14  17 o 25.642  2.0369  89.458    13.734    94.732    19.702    84.473    19.155    26.392  2.8313  24.891  2.9292  1.501640       4.073897 
1 1 1 4   14  18 o 103.002 2.4978  1432.69   68.854    1502.71   97.544    1363.17   97.206    105.530 3.4509  100.475 3.6120  5.055092       4.995544 
1 1 1 4   14  19 o 71.474  2.1080  688.970   40.341    713.743   57.230    664.505   56.873    72.758  2.9366  70.189  3.0251  2.568886       4.216069 
1 1 1 4   14  20 o 116.469 2.6893  1841.48   83.896    1839.91   118.547   1843.05   118.747   116.420 3.8017  116.519 3.8049  -0.9815979E-01 5.378630 
1 1 1 4   14  21 o 84.761  2.2921  973.362   52.031    955.889   73.511    990.905   73.656    83.991  3.2676  85.531  3.2151  -1.540413      4.584113 
1 1 1 4   14  22 o 79.312  2.2102  852.691   46.952    844.948   66.286    860.487   66.514    78.948  3.1347  79.676  3.1167  -0.7281494     4.420453 
1 1 1 4   14  23 o 53.414  2.0303  387.640   28.938    380.953   40.826    394.393   41.024    52.945  2.8898  53.883  2.8526  -0.9384499     4.060566 
1 1 1 4   14  24 o 32.726  2.0800  146.491   17.999    159.054   25.830    134.634   25.094    34.120  2.8525  31.331  3.0279  2.788338       4.159939 
1 1 1 4   14  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   14  26 o 50.960  2.0655  355.788   28.071    348.010   39.610    363.636   39.787    50.389  2.9476  51.532  2.8942  -1.143341      4.131001 
1 1 1 4   14  27 o 15.015  2.8102  31.176    12.440    50.926    18.168    13.745    17.068    18.840  3.7323  11.191  4.2022  7.648816       5.620416 
1 1 1 4   14  28 o 21.749  2.5801  67.687    14.497    66.220    20.457    69.166    20.546    21.494  3.6860  22.004  3.6113  -0.5102825     5.160215 
1 1 1 4   14  29 o 25.034  2.4679  89.388    16.081    85.110    22.708    93.692    22.775    24.383  3.5839  25.684  3.3937  -1.301128      4.935787 
1 1 1 4   14  30 o 51.405  2.1876  370.210   29.969    379.162   42.230    361.127   42.537    52.071  3.0411  50.739  3.1455  1.331776       4.375185 
1 1 1 4   14  31 o 23.092  2.6520  77.851    15.828    74.802    22.476    80.850    22.293    22.584  3.8540  23.601  3.6440  -1.017086      5.304010 
1 1 1 4   14  32 o 27.425  2.4823  108.604   17.768    117.501   25.353    100.017   24.908    28.617  3.3725  26.233  3.6433  2.384146       4.964592 
1 1 1 4   14  33 o 12.867  3.0629  22.525    13.331    35.793    18.952    9.5305    18.756    15.241  4.3984  10.493  4.2637  4.748252       6.125755 
1 1 1 4   14  34 o 8.8213  2.6522  1.1150    11.435    -8.6684   16.562    10.029    15.808    7.6932  3.5310  9.9494  3.9584  -2.256271      5.304431 
1 1 1 4   15  0  o 191.981 3.8119  4956.09   195.961   5080.25   276.748   4831.24   277.515   194.404 5.3149  189.559 5.4658  4.844650       7.623812 
1 1 1 4   15  1  o 49.566  1.8145  330.119   24.010    347.412   33.868    312.645   34.044    50.911  2.4836  48.221  2.6460  2.689766       3.629006 
1 1 1 4   15  2  o 114.296 2.5635  1752.88   78.463    1708.96   110.654   1797.29   111.276   112.854 3.6607  115.738 3.5895  -2.884056      5.126910 
1 1 1 4   15  3  o 48.849  1.8450  320.788   24.051    316.537   33.857    325.119   34.172    48.521  2.6148  49.177  2.6036  -0.6561737     3.689943 
1 1 1 4   15  4  o 68.778  1.9794  634.356   36.456    617.817   51.490    650.980   51.623    67.878  2.8321  69.678  2.7660  -1.799950      3.958730 
1 1 1 4   15  5  o 125.548 2.7738  2116.29   93.273    2097.94   131.995   2134.58   131.823   125.003 3.9423  126.093 3.9031  -1.090027      5.547578 
1 1 1 4   15  6  o 145.821 3.0825  2856.73   120.394   2882.00   170.526   2831.61   170.002   146.465 4.3468  145.176 4.3719  1.288864       6.165032 
1 1 1 4   15  7  o 62.581  1.9814  525.059   33.201    544.688   47.342    506.061   46.575    63.732  2.7733  61.429  2.8307  2.303036       3.962806 
1 1 1 4   15  8  o 47.723  1.9421  306.651   24.697    294.041   35.074    319.052   34.783    46.740  2.8147  48.705  2.6765  -1.965088      3.884105 
1 1 1 4   15  9  o 109.450 2.5084  1608.01   73.519    1653.55   104.364   1563.14   103.585   110.991 3.5105  107.909 3.5839  3.082207       5.016776 
1 1 1 4   15  10 o 138.228 2.9985  2568.04   111.013   2594.89   157.389   2541.46   156.607   138.948 4.2289  137.508 4.2520  1.440689       5.996966 
1 1 1 4   15  11 o 46.215  1.9260  287.557   23.678    313.620   33.832    262.535   33.150    48.283  2.6259  44.147  2.8182  4.136436       3.851987 
1 1 1 4   15  12 o 108.237 2.5265  1574.16   73.238    1606.49   103.914   1542.25   103.239   109.344 3.5481  107.130 3.5978  2.213669       5.053034 
1 1 1 4   15  13 o 99.281  2.4018  1324.79   63.869    1336.94   90.635    1312.80   90.018    99.734  3.3928  98.829  3.4006  0.9052811      4.803695 
1 1 1 4   15  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   15  15 o 56.051  1.9680  422.783   29.484    437.596   41.881    408.227   41.516    57.064  2.7401  55.039  2.8257  2.025715       3.936069 
1 1 1 4   15  16 o 43.301  1.9153  253.259   22.087    244.837   31.396    261.511   31.079    42.577  2.7680  44.024  2.6479  -1.447052      3.830603 
1 1 1 4   15  17 o 27.666  1.9773  104.082   14.427    111.549   20.599    96.894    20.212    28.661  2.7157  26.670  2.8748  1.991062       3.954700 
1 1 1 4   15  18 o 64.866  2.0681  567.596   35.925    555.684   50.837    579.478   50.774    64.181  2.9572  65.551  2.8919  -1.370056      4.136173 
1 1 1 4   15  19 o 45.599  1.9368  281.477   23.542    288.328   33.496    274.790   33.095    46.152  2.7217  45.046  2.7562  1.106403       3.873549 
1 1 1 4   15  20 o 66.491  2.0924  597.973   37.261    608.299   52.814    587.739   52.577    67.067  2.9400  65.916  2.9779  1.151443       4.184739 
1 1 1 4   15  21 o 38.898  1.9881  206.177   20.429    235.565   29.166    177.870   28.624    41.676  2.6262  36.120  2.9854  5.556652       3.976145 
1 1 1 4   15  22 o 50.354  2.0137  344.630   27.048    348.605   38.282    340.668   38.221    50.648  2.8333  50.059  2.8624  0.5891495      4.027494 
1 1 1 4   15  23 o 37.066  2.0543  187.704   20.232    188.140   28.699    187.274   28.526    37.107  2.9108  37.024  2.8996  0.8314896E-01  4.108616 
1 1 1 4   15  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   15  25 o 70.851  2.2085  687.825   41.912    685.392   59.222    690.266   59.324    70.724  3.1263  70.978  3.1204  -0.2540359     4.417071 
1 1 1 4   15  26 f 11.280  2.8824  15.056    11.332    10.307    16.279    19.521    15.786    10.443  4.0581  12.117  4.0945  -1.673913      5.764798 
1 1 1 4   15  27 o 32.510  2.1586  147.374   18.528    137.771   26.370    156.738   26.040    31.402  3.1789  33.617  2.9210  -2.214825      4.317142 
1 1 1 4   15  28 o 47.313  2.1265  311.591   26.805    315.340   37.785    307.793   38.033    47.618  2.9775  47.008  3.0369  0.6100960      4.253041 
1 1 1 4   15  29 o 28.200  2.3918  113.251   17.606    100.389   24.615    126.722   25.191    26.451  3.5652  29.950  3.1893  -3.499371      4.783572 
1 1 1 4   15  30 o 28.239  2.3868  113.904   17.669    121.090   25.181    106.935   24.798    29.175  3.2791  27.304  3.4692  1.871222       4.773657 
1 1 1 4   15  31 o 17.915  4.4673  49.111    21.363    49.111    21.363    0.0000    0.0000    17.915  4.4673  ?       ?       ?              ?        
1 1 1 4   15  32 o 6.2843  2.1221  -19.1178  10.117    -10.1335  14.543    -27.5452  14.085    7.0417  3.2594  5.5268  2.7184  1.514966       4.244249 
1 1 1 4   15  33 o 12.197  3.0477  20.701    12.805    28.678    18.022    12.568    18.196    13.646  4.3634  10.748  4.2561  2.898471       6.095406 
1 1 1 4   16  0  o 61.974  1.8964  514.954   31.476    516.417   44.268    513.458   44.765    62.064  2.6630  61.885  2.7006  0.1790237      3.792720 
1 1 1 4   16  1  f 101.214 2.3982  1374.35   65.011    1350.08   91.576    1399.00   92.308    100.313 3.4083  102.116 3.3749  -1.802856      4.796466 
1 1 1 4   16  2  f 62.861  1.9401  529.832   32.663    519.467   46.066    540.310   46.319    62.242  2.7632  63.479  2.7242  -1.237514      3.880238 
1 1 1 4   16  3  f 107.191 2.4819  1542.69   71.170    1449.28   100.305   1637.40   100.999   103.916 3.6037  110.467 3.4135  -6.550598      4.963719 
1 1 1 4   16  4  o 73.360  2.0905  721.811   41.075    712.483   58.028    731.177   58.150    72.885  2.9724  73.836  2.9403  -0.9511642     4.181022 
1 1 1 4   16  5  o 198.975 3.9236  5330.06   209.110   5334.15   295.765   5325.98   295.687   199.052 5.5474  198.898 5.5502  0.1530762      7.847234 
1 1 1 4   16  6  o 127.184 2.7992  2172.24   95.357    2188.52   135.125   2156.09   134.586   127.659 3.9518  126.709 3.9656  0.9504318      5.598434 
1 1 1 4   16  7  o 133.049 2.9259  2378.68   104.244   2323.34   147.650   2433.69   147.197   131.500 4.1920  134.598 4.0829  -3.097641      5.851747 
1 1 1 4   16  8  o 127.061 2.8180  2168.95   95.903    2171.70   136.015   2166.24   135.242   127.140 3.9941  126.982 3.9763  0.1581268      5.635915 
1 1 1 4   16  9  o 105.622 2.4982  1498.06   70.667    1529.32   100.361   1467.32   99.521    106.716 3.5111  104.527 3.5546  2.188980       4.996318 
1 1 1 4   16  10 o 73.227  2.1196  719.651   41.562    743.014   59.148    696.866   58.413    74.402  2.9680  72.052  3.0268  2.350784       4.239155 
1 1 1 4   16  11 o 54.142  1.9389  394.005   28.045    413.358   39.888    375.086   39.438    55.497  2.6834  52.787  2.7994  2.710217       3.877781 
1 1 1 4   16  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   16  13 o 57.941  1.9827  450.995   30.758    468.922   43.838    433.613   43.166    59.077  2.7704  56.805  2.8370  2.272217       3.965304 
1 1 1 4   16  14 o 89.803  2.3149  1085.96   55.679    1083.70   79.002    1088.19   78.485    89.709  3.2879  89.898  3.2595  -0.1898575     4.629728 
1 1 1 4   16  15 o 12.433  2.5801  20.833    9.2240    25.975    13.600    16.452    12.553    13.637  3.6508  11.228  3.6469  2.408523       5.160203 
1 1 1 4   16  16 o 54.265  1.9907  397.882   28.826    389.314   40.953    406.295   40.583    53.677  2.8588  54.853  2.7712  -1.175747      3.981432 
1 1 1 4   16  17 o 65.864  2.0757  585.831   36.588    559.414   51.820    612.090   51.665    64.371  3.0055  67.358  2.8636  -2.987434      4.151355 
1 1 1 4   16  18 o 69.929  2.1246  661.003   39.780    685.110   56.556    637.398   55.965    71.199  2.9656  68.659  3.0432  2.540443       4.249231 
1 1 1 4   16  19 o 84.770  2.3314  974.701   52.928    995.873   74.970    953.663   74.733    85.698  3.2661  83.843  3.3278  1.855621       4.662795 
1 1 1 4   16  20 o 29.519  2.1205  119.298   16.524    117.086   23.587    121.430   23.156    29.235  3.0574  29.803  2.9390  -0.5676422     4.240942 
1 1 1 4   16  21 o 27.569  2.1455  104.877   15.465    92.585    21.991    116.903   21.752    25.897  3.2414  29.242  2.8118  -3.344328      4.291007 
1 1 1 4   16  22 o 19.886  3.7305  55.895    19.141    55.895    19.141    0.0000    0.0000    19.886  3.7305  ?       ?       ?              ?        
1 1 1 4   16  23 o 60.955  2.1095  506.729   34.440    513.319   48.788    500.184   48.624    61.356  2.9687  60.555  2.9979  0.8007545      4.219045 
1 1 1 4   16  24 f 20.618  2.6482  62.314    13.830    43.117    19.936    80.121    19.200    17.228  4.3265  24.008  3.0550  -6.780586      5.296380 
1 1 1 4   16  25 o 18.479  2.8181  49.261    13.533    54.893    19.783    44.307    18.553    19.504  3.9229  17.455  4.0470  2.048893       5.636265 
1 1 1 4   16  26 o 37.949  2.1218  200.197   21.320    218.342   30.241    182.266   30.063    39.731  2.8609  36.166  3.1343  3.564270       4.243670 
1 1 1 4   16  27 o 50.662  2.1496  357.562   29.013    373.337   41.097    341.888   40.965    51.822  2.9733  49.502  3.1053  2.319607       4.299204 
1 1 1 4   16  28 o 16.471  2.8829  40.953    13.165    55.878    18.364    25.172    18.883    19.601  3.6315  13.341  4.4784  6.260475       5.765740 
1 1 1 4   16  29 o 18.017  2.9895  49.047    14.244    41.777    20.399    55.964    19.897    16.594  4.4835  19.441  3.9558  -2.846815      5.979088 
1 1 1 4   16  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   16  31 o 8.1086  2.5427  -4.1116   11.161    2.0726    15.840    -10.2090  15.728    8.8414  3.7768  7.3758  3.4055  1.465681       5.085443 
1 1 1 4   16  32 f 16.084  3.1200  40.842    14.339    27.938    20.243    53.838    20.314    13.550  4.6364  18.618  4.1764  -5.068295      6.240021 
1 1 1 4   17  0  o 241.566 4.6661  7871.56   301.911   7890.21   426.396   7852.81   427.539   241.857 6.5821  241.275 6.6157  0.5826111      9.332288 
1 1 1 4   17  1  o 63.498  1.9524  540.519   33.197    523.168   46.550    558.476   47.356    62.461  2.7824  64.535  2.7396  -2.074585      3.904790 
1 1 1 4   17  2  o 222.260 4.3589  6658.59   259.491   6618.85   366.581   6698.50   367.372   221.592 6.1763  222.927 6.1525  -1.334793      8.717797 
1 1 1 4   17  3  o 63.808  2.0163  546.178   34.449    560.985   48.659    531.298   48.778    64.677  2.8088  62.940  2.8934  1.737217       4.032528 
1 1 1 4   17  4  o 92.410  2.3366  1145.93   57.828    1124.19   81.649    1167.82   81.915    91.529  3.3304  93.292  3.2782  -1.762138      4.673128 
1 1 1 4   17  5  o 30.898  1.9454  129.029   15.928    128.307   22.257    129.786   22.803    30.811  2.7250  30.984  2.7771  -0.1731663     3.890777 
1 1 1 4   17  6  o 178.418 3.5850  4285.46   171.317   4243.58   242.427   4327.24   242.131   177.542 5.0979  179.294 5.0419  -1.751740      7.170026 
1 1 1 4   17  7  o 146.528 3.1080  2887.76   121.979   2887.13   172.830   2888.38   172.180   146.511 4.4041  146.545 4.3865  -0.3414917E-01 6.215935 
1 1 1 4   17  8  o 55.008  1.9939  406.498   29.310    423.334   41.808    390.224   41.102    56.168  2.7789  53.848  2.8600  2.319809       3.987712 
1 1 1 4   17  9  o 68.123  2.0981  623.050   38.274    642.180   54.437    604.350   53.823    69.159  2.9387  67.088  2.9953  2.071205       4.196158 
1 1 1 4   17  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   17  11 o 58.469  2.0296  459.772   31.710    482.248   45.283    438.145   44.419    59.911  2.8219  57.026  2.9179  2.885452       4.059194 
1 1 1 4   17  12 o 64.101  2.0290  552.374   34.822    574.747   49.601    530.631   48.898    65.384  2.8322  62.818  2.9061  2.565826       4.057952 
1 1 1 4   17  13 f 73.955  2.1368  736.813   42.298    708.703   60.045    764.502   59.593    72.545  3.0902  75.365  2.9521  -2.819817      4.273657 
1 1 1 4   17  14 o 37.553  1.9341  191.108   19.292    182.756   27.590    199.098   26.985    36.732  2.8260  38.374  2.6415  -1.642406      3.868249 
1 1 1 4   17  15 o 40.539  1.9766  222.936   21.287    208.767   30.283    236.773   29.927    39.241  2.9018  41.838  2.6847  -2.597336      3.953278 
1 1 1 4   17  16 o 80.723  2.2363  881.125   48.333    914.206   68.645    848.601   68.064    82.237  3.1164  79.210  3.2081  3.027618       4.472571 
1 1 1 4   17  17 o 15.947  2.5198  35.999    10.493    33.056    15.186    38.688    14.515    15.294  3.7386  16.600  3.3794  -1.306065      5.039583 
1 1 1 4   17  18 o 70.511  2.1468  673.356   40.545    671.595   57.509    675.096   57.170    70.416  3.0491  70.606  3.0230  -0.1900787     4.293652 
1 1 1 4   17  19 o 61.321  2.0954  509.672   34.416    508.992   48.825    510.344   48.520    61.277  2.9748  61.364  2.9520  -0.8696747E-01 4.190861 
1 1 1 4   17  20 o 69.249  2.1757  651.799   40.354    649.939   57.203    653.640   56.937    69.147  3.0885  69.351  3.0652  -0.2043381     4.351350 
1 1 1 4   17  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   17  22 f 52.309  2.0879  374.420   29.130    383.205   41.360    365.773   41.034    52.929  2.9289  51.689  2.9764  1.239372       4.175795 
1 1 1 4   17  23 o 45.345  2.1049  282.596   25.416    291.752   36.247    273.740   35.649    46.080  2.9523  44.610  3.0009  1.469414       4.209718 
1 1 1 4   17  24 o 27.096  2.3510  102.824   16.643    113.680   23.949    92.686    23.145    28.544  3.1869  25.648  3.4572  2.896225       4.701910 
1 1 1 4   17  25 o 28.580  2.2846  114.712   17.173    117.160   24.135    112.201   24.441    28.917  3.1679  28.242  3.2928  0.6749535      4.569262 
1 1 1 4   17  26 o 38.633  2.2075  208.839   22.598    226.066   32.303    192.325   31.626    40.256  3.0178  37.010  3.2226  3.246063       4.414990 
1 1 1 4   17  27 o 21.272  2.6630  66.069    14.556    75.858    20.755    56.594    20.420    22.978  3.4813  19.565  4.0307  3.412870       5.325955 
1 1 1 4   17  28 o 12.580  2.9742  20.794    12.634    7.9725    17.989    33.272    17.747    10.246  4.1708  14.914  4.2412  -4.668427      5.948443 
1 1 1 4   17  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   17  30 o 23.105  2.8076  79.832    16.743    76.413    23.463    83.379    23.900    22.555  4.0316  23.655  3.9086  -1.100027      5.615283 
1 1 1 4   17  31 f 23.057  2.9279  83.354    17.088    58.089    24.274    108.173   24.059    18.962  4.7806  27.151  3.3816  -8.189419      5.855715 
1 1 1 4   18  0  o 224.326 4.3648  6784.47   262.249   6832.75   370.288   6735.88   371.466   225.134 6.1406  223.517 6.2047  1.616867       8.729537 
1 1 1 4   18  1  o 67.678  2.0222  614.250   36.655    604.336   51.568    624.375   52.113    67.126  2.8682  68.230  2.8515  -1.104385      4.044443 
1 1 1 4   18  2  o 68.462  2.0261  628.715   37.150    635.221   52.404    622.141   52.675    68.819  2.8429  68.105  2.8876  0.7138062      4.052205 
1 1 1 4   18  3  o 46.953  1.9222  297.630   23.934    334.009   33.916    261.544   33.780    49.843  2.5490  44.063  2.8780  5.780750       3.844486 
1 1 1 4   18  4  o 222.891 4.3197  6705.62   257.888   6730.58   364.561   6680.63   364.857   223.310 6.0950  222.472 6.1229  0.8379822      8.639395 
1 1 1 4   18  5  o 71.434  2.0829  684.807   39.847    671.064   56.321    698.582   56.385    70.715  2.9735  72.153  2.9176  -1.438049      4.165806 
1 1 1 4   18  6  o 66.993  2.0411  602.443   36.620    592.122   51.864    612.705   51.714    66.420  2.9153  67.567  2.8575  -1.147430      4.082137 
1 1 1 4   18  7  o 198.650 4.0148  5336.29   213.595   5252.26   302.261   5420.10   301.877   197.071 5.7262  200.228 5.6288  -3.156860      8.029520 
1 1 1 4   18  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   18  9  o 103.585 2.4835  1444.08   68.903    1442.39   97.822    1445.74   97.068    103.522 3.5279  103.647 3.4965  -0.1247101     4.967021 
1 1 1 4   18  10 o 89.441  2.3258  1077.04   55.706    1055.52   79.027    1098.29   78.534    88.547  3.3320  90.335  3.2457  -1.787758      4.651597 
1 1 1 4   18  11 o 73.732  2.1587  731.787   42.618    757.974   60.610    706.178   59.939    75.042  3.0155  72.423  3.0899  2.618484       4.317445 
1 1 1 4   18  12 o 111.124 2.6070  1668.77   77.592    1657.28   110.081   1680.12   109.386   110.737 3.7113  111.511 3.6623  -0.7736511     5.214079 
1 1 1 4   18  13 o 84.737  2.2888  970.063   51.916    935.565   73.689    1004.06   73.154    83.226  3.3057  86.248  3.1666  -3.022942      4.577650 
1 1 1 4   18  14 o 80.009  2.2425  865.114   48.055    873.717   68.299    856.678   67.626    80.403  3.1714  79.616  3.1712  0.7878342      4.484915 
1 1 1 4   18  15 o 54.678  2.0309  404.797   29.630    418.571   42.250    391.467   41.563    55.601  2.8465  53.755  2.8974  1.845745       4.061726 
1 1 1 4   18  16 o 44.633  1.9631  270.284   23.340    262.263   33.111    278.206   32.907    43.962  2.8269  45.304  2.7245  -1.342484      3.926101 
1 1 1 4   18  17 o 45.207  2.0093  277.575   24.172    296.991   34.495    258.844   33.881    46.783  2.7651  43.631  2.9160  3.151554       4.018534 
1 1 1 4   18  18 o 33.224  2.0240  150.516   17.824    157.920   25.607    143.557   24.826    34.027  2.8354  32.421  2.8891  1.606781       4.047987 
1 1 1 4   18  19 o 16.461  2.8141  38.922    12.452    28.940    17.728    48.639    17.492    14.374  4.2833  18.547  3.6510  -4.173574      5.628251 
1 1 1 4   18  20 o 11.308  2.6757  16.226    9.8382    9.6555    14.137    22.396    13.700    9.9543  3.8043  12.661  3.7636  -2.706870      5.351363 
1 1 1 4   18  21 o 37.322  2.1214  191.559   21.019    189.347   30.043    193.680   29.418    37.094  3.0509  37.551  2.9486  -0.4573135     4.242871 
1 1 1 4   18  22 o 26.646  2.3756  99.403    16.425    115.158   23.618    84.645    22.858    28.801  3.1111  24.492  3.5910  4.308758       4.751209 
1 1 1 4   18  23 o 27.542  2.3890  106.655   16.927    131.444   24.563    84.237    23.360    30.759  3.0204  24.325  3.7022  6.434177       4.777993 
1 1 1 4   18  24 o 33.754  2.1998  159.045   19.652    166.380   28.113    152.036   27.483    34.538  3.0710  32.971  3.1504  1.567642       4.399535 
1 1 1 4   18  25 o 19.214  2.8013  54.169    13.951    65.338    20.161    43.907    19.326    21.256  3.6741  17.172  4.2296  4.083786       5.602513 
1 1 1 4   18  26 o 19.430  2.8904  55.893    14.545    57.473    21.251    54.501    19.950    19.662  4.1648  19.198  4.0091  0.4634666      5.780863 
1 1 1 4   18  27 o 15.908  2.9154  37.631    13.176    54.053    18.836    21.898    18.437    19.166  3.8034  12.649  4.4196  6.516928       5.830887 
1 1 1 4   18  28 o 11.081  3.0951  5.0339    13.826    28.273    23.571    -7.1556   17.071    14.076  4.9905  8.0867  3.6625  5.988961       6.190271 
1 1 1 4   18  29 o 7.6790  2.4774  -7.8689   11.313    -9.9372   16.435    -6.0060   15.597    7.5885  3.4957  7.7694  3.5114  -0.1809502     4.954780 
1 1 1 4   19  0  o 134.347 2.8560  2424.90   102.755   2365.23   144.673   2485.65   145.970   132.676 4.0711  136.018 4.0066  -3.342682      5.711962 
1 1 1 4   19  1  o 88.451  2.2563  1050.34   53.436    1075.10   75.287    1025.21   75.857    89.505  3.1404  87.397  3.2405  2.107399       4.512531 
1 1 1 4   19  2  o 20.756  2.2694  59.315    12.131    67.954    17.327    51.010    16.989    22.308  2.9740  19.204  3.4286  3.103672       4.538710 
1 1 1 4   19  3  o 69.629  2.0635  650.720   38.480    661.081   54.394    640.340   54.444    70.185  2.8934  69.073  2.9427  1.112282       4.126946 
1 1 1 4   19  4  o 102.808 2.5039  1420.70   68.937    1449.43   97.336    1391.78   97.648    103.856 3.4991  101.761 3.5826  2.094902       5.007822 
1 1 1 4   19  5  o 66.151  2.0328  587.570   36.018    588.889   50.893    586.247   50.981    66.225  2.8691  66.076  2.8805  0.1494522      4.065628 
1 1 1 4   19  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   19  7  o 68.489  2.0855  630.591   38.247    613.913   54.142    647.204   54.037    67.582  2.9910  69.397  2.9071  -1.815216      4.171005 
1 1 1 4   19  8  o 30.194  1.9989  123.575   15.961    130.982   22.819    116.480   22.333    31.095  2.7687  29.294  2.8837  1.801296       3.997715 
1 1 1 4   19  9  f 26.043  2.0435  92.439    13.998    90.047    20.074    94.703    19.530    25.698  2.9712  26.387  2.8064  -0.6889935     4.087002 
1 1 1 4   19  10 o 100.158 2.4896  1354.27   66.774    1392.33   94.858    1316.89   94.013    101.560 3.4871  98.755  3.5542  2.804939       4.979134 
1 1 1 4   19  11 o 112.294 2.6522  1707.12   79.763    1684.52   113.135   1729.46   112.471   111.543 3.7867  113.045 3.7145  -1.501526      5.304436 
1 1 1 4   19  12 o 98.074  2.4519  1301.81   64.408    1301.07   91.434    1302.54   90.742    98.042  3.4818  98.106  3.4532  -0.6394958E-01 4.903883 
1 1 1 4   19  13 o 87.507  2.3269  1036.73   54.535    1028.41   77.444    1044.91   76.807    87.151  3.3176  87.863  3.2636  -0.7118378     4.653815 
1 1 1 4   19  14 o 44.137  2.0091  264.265   23.622    266.143   33.706    262.453   33.115    44.288  2.8566  43.985  2.8258  0.3031845      4.018134 
1 1 1 4   19  15 o 53.067  2.0376  382.701   28.789    355.713   40.841    409.355   40.587    51.172  2.9928  54.962  2.7659  -3.789780      4.075112 
1 1 1 4   19  16 o 37.075  2.0607  187.924   20.207    169.549   28.699    205.989   28.456    35.225  3.0725  38.924  2.7470  -3.698715      4.121489 
1 1 1 4   19  17 o 23.751  2.3044  78.148    14.268    78.135    20.444    78.160    19.922    23.738  3.3050  23.764  3.2122  -0.2589989E-01 4.608849 
1 1 1 4   19  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   19  19 o 23.786  2.3766  78.833    14.692    85.329    21.202    72.833    20.379    24.767  3.2765  22.806  3.4434  1.961327       4.753108 
1 1 1 4   19  20 o 19.247  2.6959  53.731    13.353    43.787    19.377    62.726    18.428    17.382  4.2072  21.113  3.3721  -3.731354      5.391845 
1 1 1 4   19  21 o 23.579  2.5134  78.600    15.377    80.919    21.935    76.359    21.562    23.937  3.5269  23.221  3.5819  0.7152786      5.026797 
1 1 1 4   19  22 o 29.519  2.3318  122.229   18.027    136.637   25.815    108.517   25.184    31.304  3.1204  27.734  3.4658  3.569897       4.663541 
1 1 1 4   19  23 o 29.825  2.3261  125.219   18.270    127.619   26.145    122.930   25.540    30.104  3.2963  29.546  3.2828  0.5583878      4.652136 
1 1 1 4   19  24 o 19.802  2.8058  57.625    14.360    64.158    20.463    51.287    20.157    21.009  3.7751  18.595  4.1520  2.413803       5.611670 
1 1 1 4   19  25 o 27.230  2.4183  105.779   17.242    109.414   24.531    102.229   24.240    27.720  3.3735  26.740  3.4659  0.9802532      4.836635 
1 1 1 4   19  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   19  27 o 18.706  2.9464  53.384    14.657    71.986    20.925    35.470    20.535    22.170  3.6509  15.241  4.6255  6.929267       5.892741 
1 1 1 4   19  28 o 26.358  2.6847  103.222   18.351    97.692    26.362    108.422   25.561    25.538  3.9839  27.179  3.5999  -1.640421      5.369427 
1 1 1 4   20  0  o 102.996 2.4402  1424.95   67.315    1418.30   94.671    1431.75   95.733    102.754 3.4398  103.239 3.4620  -0.4841843     4.880334 
1 1 1 4   20  1  o 107.629 2.5364  1557.11   73.113    1572.77   103.042   1541.24   103.755   108.177 3.5562  107.081 3.6175  1.096024       5.072784 
1 1 1 4   20  2  o 141.512 3.0299  2697.15   114.823   2629.97   161.852   2765.22   162.923   139.730 4.3245  143.293 4.2449  -3.562851      6.059754 
1 1 1 4   20  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   20  4  o 153.024 4.6492  3194.95   190.137   3034.64   273.206   3345.52   264.780   149.192 6.8368  156.857 6.3022  -7.664276      9.298405 
1 1 1 4   20  5  o 18.868  2.4201  49.584    11.716    40.089    16.386    59.513    16.757    16.924  3.7165  20.812  3.1007  -3.887529      4.840148 
1 1 1 4   20  6  o 36.354  1.9245  178.661   18.588    187.577   26.407    169.906   26.170    37.265  2.6632  35.443  2.7790  1.822323       3.849098 
1 1 1 4   20  7  o 79.389  2.2224  848.863   47.247    871.643   67.050    826.396   66.589    80.452  3.1115  78.327  3.1739  2.124756       4.444708 
1 1 1 4   20  8  o 45.365  1.9436  277.981   23.501    285.365   33.402    270.742   33.073    45.967  2.7250  44.763  2.7721  1.204102       3.887167 
1 1 1 4   20  9  o 83.440  2.2400  939.555   50.061    951.036   71.026    928.222   70.569    83.948  3.1588  82.932  3.1769  1.016632       4.480022 
1 1 1 4   20  10 o 103.100 2.5409  1439.58   70.163    1460.27   99.584    1419.18   98.872    103.840 3.5805  102.360 3.6062  1.479576       5.081791 
1 1 1 4   20  11 o 44.953  1.9707  274.199   23.564    257.595   33.563    290.339   33.091    43.584  2.8915  46.322  2.6785  -2.737469      3.941456 
1 1 1 4   20  12 o 43.367  1.9753  255.023   22.819    255.871   32.619    254.211   31.932    43.433  2.8192  43.301  2.7677  0.1316566      3.950674 
1 1 1 4   20  13 o 50.304  2.0435  343.685   27.388    328.254   38.928    358.809   38.540    49.163  2.9702  51.445  2.8075  -2.282070      4.087079 
1 1 1 4   20  14 o 58.252  2.1023  460.637   32.717    445.834   46.532    475.110   46.011    57.270  3.0444  59.234  2.9000  -1.963718      4.204580 
1 1 1 4   20  15 o 58.759  2.1019  468.911   32.988    495.898   47.103    442.932   46.214    60.473  2.9080  57.044  3.0356  3.429417       4.203703 
1 1 1 4   20  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   20  17 o 41.968  2.0897  241.165   23.283    261.593   33.133    221.240   32.724    43.767  2.8418  40.170  3.0645  3.596970       4.179358 
1 1 1 4   20  18 o 16.647  2.7832  40.539    12.566    25.641    18.058    54.526    17.497    13.643  4.3684  19.651  3.4501  -6.007977      5.566486 
1 1 1 4   20  19 o 9.7108  2.7243  7.6143    10.537    6.8885    15.639    8.2178    14.259    9.7527  3.9177  9.6689  3.7867  0.8381176E-01  5.448606 
1 1 1 4   20  20 o 68.174  2.2541  641.648   41.123    675.573   58.377    608.231   57.940    70.010  3.1131  66.338  3.2608  3.672241       4.508248 
1 1 1 4   20  21 o 27.555  2.3796  107.083   17.180    102.115   24.264    112.078   24.329    26.871  3.4510  28.239  3.2774  -1.368082      4.759296 
1 1 1 4   20  22 o 21.056  2.7875  65.062    15.074    77.130    21.343    53.052    21.292    23.212  3.5453  18.900  4.3025  4.312006       5.574971 
1 1 1 4   20  23 o 18.168  3.0388  49.410    14.596    43.856    20.695    54.908    20.589    17.079  4.4714  19.258  4.1164  -2.179071      6.077647 
1 1 1 4   20  24 o 11.905  2.8431  16.152    12.334    -2.0493   17.742    33.172    17.157    8.8798  3.8937  14.930  4.1438  -6.050656      5.686157 
1 1 1 4   20  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   20  26 f 23.455  2.9570  84.107    17.483    118.544   25.170    52.008    24.301    28.716  3.3346  18.193  4.8841  10.52225       5.913907 
1 1 1 4   20  27 o 11.138  2.9881  13.657    12.505    23.451    18.900    6.0326    16.676    12.737  4.4735  9.5393  3.9628  3.198145       5.976254 
1 1 1 4   21  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   21  1  o 56.960  2.5555  443.232   35.852    423.779   63.594    452.296   43.408    55.893  4.2804  58.026  2.7929  -2.133011      5.110988 
1 1 1 4   21  2  o 26.640  2.0534  96.516    14.414    95.788    20.428    97.238    20.342    26.536  2.9225  26.744  2.8854  -0.2076969     4.106897 
1 1 1 4   21  3  o 41.718  1.9150  235.153   21.214    212.683   29.820    258.175   30.185    39.676  2.8245  43.760  2.5867  -4.084648      3.830020 
1 1 1 4   21  4  o 93.406  2.3575  1175.49   58.981    1177.09   83.237    1173.88   83.586    93.471  3.3247  93.341  3.3433  0.1304245      4.714977 
1 1 1 4   21  5  o 46.596  1.9451  293.241   24.155    303.049   34.114    283.378   34.208    47.387  2.6989  45.805  2.8017  1.582771       3.890181 
1 1 1 4   21  6  o 63.574  2.0285  544.474   34.529    526.059   48.735    563.035   48.928    62.489  2.9117  64.659  2.8252  -2.169975      4.057040 
1 1 1 4   21  7  o 41.983  1.9598  238.493   21.912    243.809   31.101    233.254   30.875    42.453  2.7500  41.513  2.7930  0.9397354      3.919591 
1 1 1 4   21  8  o 35.542  1.9748  171.543   18.618    160.761   26.315    182.349   26.344    34.401  2.8825  36.683  2.7002  -2.281826      3.949630 
1 1 1 4   21  9  o 57.678  2.0317  449.823   31.303    474.131   44.512    426.039   44.030    59.269  2.8039  56.086  2.9411  3.182926       4.063492 
1 1 1 4   21  10 o 20.777  2.3180  59.860    12.471    60.035    17.769    59.689    17.507    20.803  3.2990  20.751  3.2571  0.5254745E-01  4.635964 
1 1 1 4   21  11 o 9.8476  2.4425  7.8583    8.9927    -4.0459   12.321    21.428    13.155    7.2414  3.2071  12.454  3.6848  -5.212541      4.885001 
1 1 1 4   21  12 o 45.962  2.0260  286.967   24.814    288.742   35.448    285.262   34.746    46.097  2.8855  45.827  2.8448  0.2704124      4.052037 
1 1 1 4   21  13 o 30.591  2.1315  128.151   17.190    139.824   24.577    116.970   24.053    31.992  2.8996  29.189  3.1251  2.802860       4.263082 
1 1 1 4   21  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   21  15 o 94.043  2.5012  1211.81   63.002    1224.26   89.567    1199.61   88.636    94.521  3.5378  93.565  3.5368  0.9560699      5.002464 
1 1 1 4   21  16 o 52.406  2.1228  376.154   29.659    369.036   42.311    383.030   41.586    51.895  3.0574  52.916  2.9457  -1.020557      4.245617 
1 1 1 4   21  17 o 22.784  2.5425  73.287    15.000    74.297    21.153    72.265    21.274    22.958  3.5549  22.610  3.6360  0.3474579      5.085027 
1 1 1 4   21  18 o 36.447  2.1611  183.899   20.880    178.724   29.900    188.826   29.172    35.911  3.1401  36.983  2.9700  -1.072186      4.322184 
1 1 1 4   21  19 f 46.576  2.1688  300.517   26.899    309.635   38.264    291.610   37.822    47.292  3.0368  45.860  3.0972  1.432491       4.337595 
1 1 1 4   21  20 o 14.318  2.9798  28.825    12.593    40.907    18.567    18.534    17.136    16.642  4.1729  11.993  4.2548  4.649603       5.959567 
1 1 1 4   21  21 o 39.462  2.2514  218.596   23.537    204.117   33.460    232.779   33.116    38.088  3.3128  40.837  3.0496  -2.749264      4.502791 
1 1 1 4   21  22 o 26.720  2.5317  102.391   17.634    100.158   25.433    104.458   24.470    26.377  3.7018  27.063  3.4546  -0.6865768     5.063347 
1 1 1 4   21  23 o 10.325  2.9215  9.2465    12.236    9.8510    17.739    8.6978    16.899    10.496  4.1877  10.155  4.0750  0.3403702      5.843090 
1 1 1 4   21  24 o 28.584  2.5313  117.890   18.789    136.025   27.079    101.052   26.092    30.865  3.3282  26.303  3.8149  4.561953       5.062613 
1 1 1 4   21  25 o 17.084  3.2395  45.376    15.124    47.561    21.857    43.369    20.949    17.465  4.6062  16.703  4.5563  0.7624855      6.478959 
1 1 1 4   22  0  o 44.922  1.9005  272.211   22.761    276.603   32.183    267.816   32.194    45.289  2.6648  44.556  2.7105  0.7328873      3.801090 
1 1 1 4   22  1  o 45.096  1.8979  274.395   22.819    275.439   32.118    273.331   32.426    45.185  2.6656  45.007  2.7023  0.1781654      3.795781 
1 1 1 4   22  2  o 73.298  2.1081  723.396   41.384    722.868   58.123    723.940   58.937    73.273  2.9615  73.322  3.0010  -0.4907227E-01 4.216191 
1 1 1 4   22  3  o 45.576  1.9160  280.519   23.274    269.641   32.716    291.664   33.115    44.673  2.7475  46.479  2.6713  -1.805660      3.831984 
1 1 1 4   22  4  o 30.883  1.9782  129.503   16.175    123.573   22.707    135.612   23.047    30.152  2.8453  31.613  2.7492  -1.461260      3.956457 
1 1 1 4   22  5  o 54.828  1.9847  405.885   29.084    416.995   41.133    394.777   41.130    55.622  2.7609  54.034  2.8520  1.587261       3.969437 
1 1 1 4   22  6  o 99.924  2.4645  1352.45   65.949    1320.68   93.111    1384.43   93.422    98.735  3.5208  101.113 3.4495  -2.378128      4.928956 
1 1 1 4   22  7  o 133.370 2.9928  2426.01   106.899   2380.94   151.178   2471.07   151.177   132.109 4.2724  134.632 4.1923  -2.523071      5.985652 
1 1 1 4   22  8  o 104.990 2.5459  1497.42   71.593    1486.93   101.306   1507.89   101.190   104.616 3.6153  105.363 3.5856  -0.7469940     5.091857 
1 1 1 4   22  9  o 49.041  2.0255  326.305   26.488    331.303   37.568    321.363   37.354    49.419  2.8502  48.663  2.8786  0.7556381      4.050965 
1 1 1 4   22  10 f 16.396  2.7065  38.133    11.680    35.370    16.504    40.904    16.531    15.789  3.9206  17.003  3.7321  -1.214174      5.412951 
1 1 1 4   22  11 o 38.210  2.0736  199.107   21.052    193.467   29.789    204.734   29.756    37.656  2.9778  38.765  2.8865  -1.108543      4.147158 
1 1 1 4   22  12 o 44.709  3.9115  276.188   46.370    276.188   46.370    0.0000    0.0000    44.709  3.9115  ?       ?       ?              ?        
1 1 1 4   22  13 o 56.380  2.8765  432.643   38.573    458.337   73.943    423.037   45.212    57.101  4.8816  55.659  3.0442  1.441620       5.753035 
1 1 1 4   22  14 o 36.016  2.1280  178.043   20.336    183.285   29.073    173.022   28.454    36.542  2.9968  35.490  3.0221  1.051975       4.256016 
1 1 1 4   22  15 f 41.287  2.1441  234.364   23.544    236.554   33.490    232.223   33.105    41.477  3.0356  41.096  3.0288  0.3810959      4.288181 
1 1 1 4   22  16 o 32.334  2.2658  145.134   19.331    155.613   27.599    135.043   27.084    33.523  3.1091  31.145  3.2968  2.377899       4.531545 
1 1 1 4   22  17 o 8.8556  2.5239  4.4219    9.5004    -1.9039   13.602    10.447    13.275    7.8583  3.4285  9.8529  3.7048  -1.994574      5.047740 
1 1 1 4   22  18 o 33.171  2.2716  153.869   19.922    155.295   28.607    152.525   27.760    33.305  3.2481  33.036  3.1764  0.2696381      4.543124 
1 1 1 4   22  19 o 40.978  2.2549  235.279   24.347    271.761   34.866    200.555   34.015    44.220  2.9608  37.737  3.4018  6.483471       4.509855 
1 1 1 4   22  20 o 24.761  2.6620  88.469    17.097    90.215    24.308    86.759    24.052    25.017  3.7427  24.504  3.7866  0.5121822      5.324093 
1 1 1 4   22  21 o 23.611  2.7962  81.908    16.936    70.598    24.157    92.840    23.750    21.799  4.2900  25.423  3.5875  -3.623667      5.592372 
1 1 1 4   22  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   22  23 o 20.806  3.0618  65.908    16.505    58.304    23.644    73.135    23.051    19.451  4.6090  22.160  4.0320  -2.709417      6.123671 
1 1 1 4   22  24 o 27.727  2.6794  113.679   19.374    114.260   27.199    113.081   27.605    27.830  3.7437  27.624  3.8343  0.2058601      5.358811 
1 1 1 4   23  0  o 51.180  1.9103  353.629   26.088    356.946   36.604    350.204   37.190    51.430  2.6663  50.930  2.7363  0.4997444      3.820550 
1 1 1 4   23  1  o 66.134  2.0357  589.502   36.055    590.244   50.588    588.735   51.401    66.180  2.8538  66.088  2.9037  0.9192657E-01  4.071356 
1 1 1 4   23  2  o 45.493  1.9141  279.793   23.216    274.998   32.591    284.733   33.079    45.095  2.7109  45.890  2.7031  -0.7950554     3.828263 
1 1 1 4   23  3  o 45.423  1.9301  279.190   23.363    268.128   32.879    290.472   33.204    44.504  2.7720  46.342  2.6865  -1.838501      3.860205 
1 1 1 4   23  4  o 109.402 2.5840  1624.15   75.717    1615.05   106.779   1633.35   107.385   109.094 3.6542  109.710 3.6543  -0.6162262     5.167924 
1 1 1 4   23  5  o 98.386  2.4376  1313.01   64.228    1336.84   90.745    1289.08   90.919    99.294  3.4120  97.479  3.4822  1.814957       4.875183 
1 1 1 4   23  6  o 17.749  2.5827  44.885    11.960    62.901    17.166    27.890    16.672    21.342  3.0932  14.157  4.1369  7.184861       5.165422 
1 1 1 4   23  7  f 134.555 2.9914  2477.93   107.810   2472.75   152.455   2483.10   152.479   134.412 4.2346  134.698 4.2263  -0.2866058     5.982758 
1 1 1 4   23  8  o 72.824  2.2021  719.406   42.952    724.825   60.757    713.990   60.730    73.101  3.1030  72.546  3.1254  0.5550613      4.404134 
1 1 1 4   23  9  o 73.287  2.2267  729.688   43.709    734.885   61.868    724.509   61.760    73.550  3.1405  73.023  3.1576  0.5267334      4.453441 
1 1 1 4   23  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   23  11 o 45.361  2.0632  280.924   24.927    273.021   35.162    288.909   35.343    44.707  2.9530  46.016  2.8821  -1.308720      4.126323 
1 1 1 4   23  12 o 17.318  2.7683  43.151    12.611    34.653    17.833    51.653    17.837    15.544  4.1887  19.092  3.6205  -3.548063      5.536540 
1 1 1 4   23  13 o 11.830  2.8596  17.985    10.864    19.974    16.116    16.328    14.708    12.298  4.1372  11.362  3.9488  0.9353437      5.719189 
1 1 1 4   23  14 o 21.742  2.6221  67.243    14.681    59.834    20.555    74.959    20.975    20.429  3.8987  23.054  3.5074  -2.625271      5.244189 
1 1 1 4   23  15 o 28.556  2.3564  114.225   17.671    110.572   25.095    117.818   24.888    28.070  3.4077  29.043  3.2553  -0.9729309     4.712715 
1 1 1 4   23  16 o 30.825  2.2999  133.070   18.701    132.118   26.505    134.013   26.390    30.706  3.2732  30.944  3.2317  -0.2386417     4.599714 
1 1 1 4   23  17 o 44.648  2.2456  278.125   26.571    310.082   38.124    247.940   37.052    47.233  3.0294  42.063  3.3156  5.170036       4.491154 
1 1 1 4   23  18 o 19.549  2.9526  56.505    14.992    57.891    21.212    55.122    21.191    19.811  4.1314  19.287  4.2194  0.5239143      5.905228 
1 1 1 4   23  19 o 30.503  2.4144  132.004   19.377    137.593   27.751    126.686   27.069    31.157  3.3796  29.850  3.4491  1.306700       4.828830 
1 1 1 4   23  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   23  21 o 40.053  2.4043  228.587   25.523    240.916   36.294    216.524   35.899    41.184  3.3182  38.922  3.4802  2.262642       4.808612 
1 1 1 4   23  22 o 28.317  2.7453  118.049   20.126    135.057   29.035    102.320   27.922    30.461  3.6302  26.172  4.1192  4.288769       5.490541 
1 1 1 4   24  0  o 71.899  2.0886  697.901   40.218    686.610   56.401    709.581   57.367    71.308  2.9529  72.491  2.9545  -1.182693      4.177215 
1 1 1 4   24  1  f 81.531  2.2312  899.228   48.721    901.433   68.528    896.973   69.282    81.638  3.1339  81.425  3.1767  0.2132034      4.462369 
1 1 1 4   24  2  o 33.381  1.9814  151.508   17.551    152.582   24.959    150.459   24.685    33.497  2.8078  33.264  2.7965  0.2334633      3.962834 
1 1 1 4   24  3  o 102.796 2.4965  1435.16   68.736    1428.21   96.829    1442.21   97.589    102.547 3.5252  103.045 3.5358  -0.4973068     4.992925 
1 1 1 4   24  4  o 48.598  1.9731  320.544   25.533    299.002   36.024    342.291   36.195    46.931  2.8797  50.265  2.6982  -3.333916      3.946282 
1 1 1 4   24  5  o 76.574  2.2130  795.170   45.388    794.891   63.991    795.452   64.387    76.564  3.1204  76.585  3.1388  -0.2139282E-01 4.425931 
1 1 1 4   24  6  o 110.243 2.6573  1659.53   78.465    1663.81   110.875   1655.24   111.059   110.390 3.7499  110.096 3.7661  0.2939987      5.314609 
1 1 1 4   24  7  o 38.967  2.0395  207.103   21.114    196.557   29.834    217.685   29.885    37.950  2.9584  39.984  2.8083  -2.034554      4.079043 
1 1 1 4   24  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   24  9  o 15.845  2.8406  35.821    12.068    33.352    16.610    38.580    17.562    15.278  4.0087  16.412  4.0258  -1.133385      5.681230 
1 1 1 4   24  10 o 20.842  2.6615  63.984    13.966    33.427    19.565    95.730    19.942    15.319  4.4828  26.365  2.8703  -11.04572      5.322995 
1 1 1 4   24  11 o 54.517  2.1421  408.142   31.090    378.653   43.937    437.711   43.997    52.489  3.1396  56.545  2.9149  -4.055351      4.284103 
1 1 1 4   24  12 f 13.347  2.8229  23.965    11.313    14.086    15.352    35.704    16.735    10.982  4.0102  15.711  3.9740  -4.728116      5.645754 
1 1 1 4   24  13 o 37.705  2.1936  197.454   21.872    179.702   31.025    214.993   30.838    35.942  3.2582  39.469  2.9381  -3.527237      4.387250 
1 1 1 4   24  14 o 20.993  2.7540  64.797    14.730    43.356    20.676    86.894    20.991    17.124  4.4628  24.862  3.2282  -7.738739      5.507975 
1 1 1 4   24  15 o 47.890  2.2383  319.604   28.496    343.837   40.620    296.120   39.987    49.743  3.0637  46.037  3.2640  3.706314       4.476574 
1 1 1 4   24  16 o 21.201  2.8481  65.838    15.564    59.085    21.931    72.690    22.092    19.994  4.2274  22.408  3.8178  -2.413502      5.696173 
1 1 1 4   24  17 o 10.170  2.8077  9.8395    11.132    6.6156    15.766    13.044    15.719    9.6232  3.9096  10.716  4.0310  -1.092564      5.615482 
1 1 1 4   24  18 o 15.646  3.1382  36.413    13.874    29.971    19.250    43.377    20.014    14.300  4.5030  16.992  4.3722  -2.691972      6.276362 
1 1 1 4   24  19 o 34.812  2.4336  172.578   22.330    189.286   32.161    157.025   31.029    36.519  3.3243  33.104  3.5551  3.414688       4.867188 
1 1 1 4   24  20 o 12.547  3.0884  21.467    12.970    28.216    18.420    14.833    18.264    13.789  4.4117  11.305  4.3232  2.483397       6.176819 
1 1 1 4   24  21 o 53.943  2.4064  420.205   34.396    373.016   48.566    467.694   48.720    50.659  3.6027  57.226  3.1912  -6.566334      4.812812 
1 1 1 4   25  0  o 114.075 2.6968  1773.03   82.369    1814.93   115.947   1730.33   117.036   115.469 3.7489  112.682 3.8777  2.786797       5.393610 
1 1 1 4   25  1  o 13.074  2.7736  23.595    10.506    25.433    14.617    21.631    15.111    13.492  3.8534  12.656  3.9902  0.8361902      5.547126 
1 1 1 4   25  2  o 32.617  2.0258  145.214   17.478    156.057   24.771    134.464   24.665    33.861  2.7551  31.372  2.9707  2.488968       4.051572 
1 1 1 4   25  3  o 48.452  1.9884  318.888   25.692    321.816   36.177    315.907   36.493    48.683  2.7859  48.220  2.8380  0.4631081      3.976869 
1 1 1 4   25  4  o 40.163  1.9980  219.617   21.351    212.746   30.073    226.599   30.317    39.519  2.8604  40.807  2.7905  -1.288784      3.996063 
1 1 1 4   25  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   25  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   25  7  o 60.124  2.1109  493.165   33.886    525.543   48.244    461.639   47.605    62.140  2.8986  58.107  3.0696  4.032993       4.221858 
1 1 1 4   25  8  o 38.342  2.0980  202.081   21.316    185.842   30.186    218.234   30.106    36.754  3.0951  39.930  2.8333  -3.176392      4.196057 
1 1 1 4   25  9  f 12.395  2.8659  20.018    11.203    13.224    15.414    27.627    16.311    10.846  4.0090  13.945  4.0967  -3.099370      5.731877 
1 1 1 4   25  10 o 43.350  2.1431  259.282   24.649    235.926   34.721    283.011   34.997    41.317  3.1614  45.383  2.8942  -4.065762      4.286111 
1 1 1 4   25  11 o 25.077  2.4654  88.887    16.006    77.918    22.475    100.174   22.799    23.397  3.7102  26.758  3.2476  -3.360777      4.930793 
1 1 1 4   25  12 o 19.305  2.7479  54.107    13.714    49.749    19.421    58.442    19.369    18.459  4.0401  20.152  3.7256  -1.693073      5.495701 
1 1 1 4   25  13 o 42.121  2.2035  247.117   24.682    243.519   34.789    250.763   35.024    41.804  3.1297  42.439  3.1027  -0.6343040     4.406996 
1 1 1 4   25  14 o 30.185  2.3781  128.721   18.752    147.516   26.952    111.088   26.106    32.442  3.1410  27.929  3.5715  4.513176       4.756218 
1 1 1 4   25  15 o 24.141  2.7227  84.559    16.958    92.292    23.980    76.823    23.986    25.364  3.6336  22.918  4.0559  2.445988       5.445459 
1 1 1 4   25  16 o 44.608  2.2984  279.748   27.267    286.851   38.628    272.695   38.496    45.200  3.2115  44.016  3.2890  1.183716       4.596884 
1 1 1 4   25  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   25  18 o 13.397  3.0026  25.069    13.399    40.339    18.323    7.5172    19.645    16.336  4.1725  10.457  4.3189  5.879337       6.005281 
1 1 1 4   25  19 o 42.469  2.3968  259.093   27.029    267.378   38.663    251.173   37.802    43.151  3.3719  41.787  3.4070  1.363792       4.793511 
1 1 1 4   26  0  o 28.540  2.1033  111.615   15.840    113.931   22.430    109.312   22.372    28.845  2.9444  28.235  3.0042  0.6096230      4.206511 
1 1 1 4   26  1  o 19.294  2.4951  52.088    12.366    42.624    16.959    62.835    18.072    17.335  3.7606  21.253  3.2803  -3.918049      4.990210 
1 1 1 4   26  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   26  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   26  4  o 10.804  2.7123  13.848    9.8476    11.469    13.367    16.672    14.563    10.158  3.7370  11.449  3.9320  -1.291011      5.424584 
1 1 1 4   26  5  o 42.430  2.0240  246.411   22.805    268.776   32.486    224.682   32.021    44.373  2.7469  40.488  2.9735  3.884796       4.048069 
1 1 1 4   26  6  o 38.335  2.0754  201.751   21.148    203.928   29.961    199.591   29.853    38.546  2.9238  38.124  2.9463  0.4215431      4.150823 
1 1 1 4   26  7  o 45.752  2.1116  287.937   25.666    313.347   36.512    263.116   36.086    47.804  2.8648  43.701  3.1031  4.102814       4.223285 
1 1 1 4   26  8  o 45.611  2.1062  286.525   25.589    287.201   36.291    285.857   36.087    45.662  2.9836  45.559  2.9736  0.1032181      4.212374 
1 1 1 4   26  9  o 36.941  2.2125  189.814   21.615    204.698   30.454    174.706   30.684    38.473  2.9786  35.409  3.2723  3.064003       4.424902 
1 1 1 4   26  10 o 14.606  2.9611  31.089    12.200    29.333    17.466    32.761    17.047    14.240  4.2533  14.972  4.1209  -0.7327280     5.922222 
1 1 1 4   26  11 o 43.818  2.1719  267.030   25.256    242.236   35.256    293.167   36.198    41.660  3.1836  45.977  2.9551  -4.316582      4.343742 
1 1 1 4   26  12 o 36.785  2.2827  189.781   22.259    185.477   31.413    194.122   31.545    36.347  3.2613  37.224  3.1949  -0.8771286     4.565450 
1 1 1 4   26  13 o 30.529  2.3870  132.120   19.107    145.126   27.132    119.323   26.913    32.121  3.1960  28.938  3.5465  3.183081       4.774066 
1 1 1 4   26  14 o 19.028  3.0143  53.857    14.999    60.116    21.604    48.033    20.840    20.159  4.1396  17.896  4.3826  2.263464       6.028547 
1 1 1 4   26  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   26  16 o 8.3026  2.6050  -3.7119   11.584    -7.1168   17.072    -0.8069   15.769    8.1061  3.6678  8.4990  3.7001  -0.3929033     5.209934 
1 1 1 4   26  17 o 20.736  3.1175  65.802    16.780    66.748    23.532    64.823    23.935    20.929  4.3401  20.542  4.4765  0.3872299      6.235060 
1 1 1 4   27  0  o 35.503  3.5800  205.664   26.382    131.787   51.069    232.557   30.812    29.718  6.5885  41.287  2.8028  -11.56863      7.159943 
1 1 1 4   27  1  o 15.317  2.6539  33.137    11.279    18.950    15.615    48.614    16.309    12.063  4.0723  18.571  3.4042  -6.508006      5.307753 
1 1 1 4   27  2  o 38.696  2.0579  205.177   21.172    207.296   29.922    203.051   29.961    38.903  2.8922  38.489  2.9282  0.4133492      4.115730 
1 1 1 4   27  3  o 39.381  2.0850  212.844   21.831    208.922   30.633    216.891   31.121    39.009  2.9537  39.753  2.9437  -0.7439041     4.170070 
1 1 1 4   27  4  o 37.937  2.1172  198.062   21.328    189.969   29.917    206.426   30.415    37.131  3.0347  38.743  2.9531  -1.612263      4.234426 
1 1 1 4   27  5  o 55.533  2.1159  423.952   31.351    412.677   44.058    435.516   44.620    54.773  3.0147  56.294  2.9697  -1.521233      4.231778 
1 1 1 4   27  6  o 27.001  2.2939  101.879   16.249    100.362   22.556    103.516   23.429    26.803  3.2054  27.200  3.2823  -0.3966904     4.587799 
1 1 1 4   27  7  o 25.302  2.4203  90.655    15.900    98.562    22.301    82.478    22.676    26.523  3.2040  24.081  3.6283  2.442438       4.840527 
1 1 1 4   27  8  o 10.935  2.7817  14.110    10.546    9.1039    14.524    19.693    15.339    9.8253  3.8289  12.044  4.0363  -2.218871      5.563445 
1 1 1 4   27  9  o 16.130  2.9684  38.193    13.565    54.150    19.346    22.761    19.025    19.275  3.8814  12.985  4.4923  6.290394       5.936814 
1 1 1 4   27  10 o 14.576  2.9241  30.125    13.067    47.764    18.506    12.586    18.453    18.033  3.9413  11.118  4.3205  6.915101       5.848167 
1 1 1 4   27  11 o 43.081  2.2414  260.037   25.612    237.424   35.916    283.436   36.534    41.093  3.2907  45.069  3.0443  -3.976196      4.482873 
1 1 1 4   27  12 o 25.979  2.5755  96.867    17.419    92.729    24.237    101.288   25.051    25.383  3.6715  26.575  3.6130  -1.191730      5.151054 
1 1 1 4   27  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   27  14 o 51.790  2.3182  379.865   31.973    391.780   45.094    367.818   45.341    52.665  3.2121  50.915  3.3433  1.750507       4.636331 
1 1 1 4   27  15 f 8.2872  2.6064  -4.1264   11.707    -8.1964   16.609    -0.1073   16.505    7.8381  3.5743  8.7364  3.7944  -0.8983154     5.212772 
1 1 1 4   28  0  o 38.024  2.1257  199.017   21.457    206.361   30.237    191.566   30.453    38.759  2.9343  37.289  3.0765  1.469833       4.251424 
1 1 1 4   28  1  o 22.548  2.5390  72.613    14.568    56.514    20.555    88.863    20.651    19.821  4.0093  25.276  3.1164  -5.454374      5.078068 
1 1 1 4   28  2  o 36.200  2.1412  181.675   20.449    201.510   28.818    161.558   29.022    38.279  2.8308  34.121  3.2134  4.158463       4.282456 
1 1 1 4   28  3  o 57.286  2.1279  452.213   32.542    471.062   45.677    432.783   46.375    58.587  2.9107  55.985  3.1048  2.601917       4.255796 
1 1 1 4   28  4  o 18.350  2.8345  50.169    13.690    64.748    18.969    34.321    19.777    21.356  3.4325  15.345  4.5118  6.011144       5.669100 
1 1 1 4   28  5  o 7.3831  2.3480  -5.7432   9.6200    -6.2629   12.721    -5.0489   14.703    7.0029  3.1676  7.7633  3.4668  -0.7603936     4.695961 
1 1 1 4   28  6  o 26.796  2.3669  101.688   16.511    113.081   23.368    90.331    23.331    28.406  3.1229  25.185  3.5577  3.220961       4.733894 
1 1 1 4   28  7  o 21.186  2.7287  65.257    14.899    69.865    21.048    60.629    21.093    22.016  3.7005  20.356  4.0111  1.659679       5.457361 
1 1 1 4   28  8  o 37.432  2.2490  196.358   22.328    202.234   31.952    190.751   31.214    37.988  3.1692  36.875  3.1917  1.112579       4.497901 
1 1 1 4   28  9  o 26.601  2.6093  102.075   17.916    87.965    25.343    116.169   25.330    24.582  3.9856  28.620  3.3687  -4.038376      5.218530 
1 1 1 4   28  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   28  11 o 28.204  2.6525  115.236   19.444    104.247   27.515    126.198   27.481    26.722  3.9644  29.686  3.5250  -2.963877      5.304906 
1 1 1 4   28  12 o 22.479  2.9738  75.424    17.103    52.843    23.401    101.320   25.060    18.515  4.7081  26.443  3.6343  -7.927624      5.947582 
1 1 1 4   28  13 o 10.571  2.6539  3.8859    11.783    -19.0357  15.909    31.737    17.537    6.6698  3.1843  14.473  4.2466  -7.802773      5.307868 
1 1 1 4   29  0  o 47.460  2.0907  310.854   26.438    315.513   37.167    306.083   37.614    47.841  2.9144  47.079  2.9985  0.7619705      4.181438 
1 1 1 4   29  1  o 18.752  2.8435  50.816    13.994    34.365    19.043    70.132    20.635    15.331  4.4044  22.174  3.5977  -6.843034      5.686995 
1 1 1 4   29  2  o 39.146  2.1156  212.973   21.978    222.517   30.793    203.063   31.379    40.092  2.8868  38.199  3.0935  1.893837       4.231229 
1 1 1 4   29  3  o 17.808  2.8712  47.376    13.595    60.577    18.952    33.385    19.511    20.535  3.5756  15.081  4.4934  5.454467       5.742435 
1 1 1 4   29  4  o 44.650  2.1317  277.632   25.321    287.200   35.550    267.780   36.073    45.479  2.9340  43.822  3.0932  1.657040       4.263349 
1 1 1 4   29  5  o 19.022  2.9267  53.398    14.473    51.794    19.931    55.187    21.050    18.733  4.0873  19.311  4.1900  -0.5782318     5.853416 
1 1 1 4   29  6  o 11.348  2.8056  13.195    11.644    -0.9960   15.998    29.178    16.978    8.5895  3.7332  14.106  4.1891  -5.516282      5.611168 
1 1 1 4   29  7  o 13.191  2.9762  24.613    12.271    32.763    17.033    15.816    17.694    14.871  4.1293  11.511  4.2872  3.359735       5.952449 
1 1 1 4   29  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   29  9  o 10.850  2.9608  11.294    12.376    4.5588    16.622    19.671    18.539    9.4558  3.9446  12.244  4.4166  -2.788062      5.921643 
1 1 1 4   29  10 o 11.018  2.9419  13.609    12.256    20.514    16.682    5.5119    18.066    12.170  4.2067  9.8661  4.1137  2.303758       5.883814 
1 1 1 4   29  11 o 20.103  3.1015  62.327    16.391    45.250    22.925    80.188    23.446    16.979  4.8177  23.227  3.9073  -6.248274      6.203009 
1 1 1 4   30  0  o 31.625  2.3302  140.616   19.433    133.717   27.051    147.974   27.936    30.799  3.3322  32.450  3.2580  -1.650560      4.660303 
1 1 1 4   30  1  f 43.163  2.1401  259.630   24.582    261.915   34.587    257.298   34.942    43.372  2.9956  42.953  3.0571  0.4192276      4.280140 
1 1 1 4   30  2  o 28.707  2.4005  116.917   18.089    118.844   25.325    114.910   25.847    28.984  3.3221  28.429  3.4661  0.5553799      4.801064 
1 1 1 4   30  3  o 25.326  2.5436  92.136    16.535    74.983    22.964    110.603   23.827    22.682  3.9218  27.971  3.2404  -5.289095      5.087300 
1 1 1 4   30  4  o 19.500  2.8133  56.016    14.301    34.872    19.564    80.275    20.956    15.295  4.4847  23.704  3.3979  -8.408664      5.626575 
1 1 1 4   30  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   30  6  o 26.135  2.6573  98.924    17.971    87.023    24.948    111.759   25.909    24.372  3.9574  27.898  3.5475  -3.525679      5.314656 
1 1 1 4   30  7  o 25.245  2.8513  96.376    18.030    121.059   25.020    69.707    26.006    29.149  3.2605  21.341  4.6787  7.808149       5.702675 
1 1 1 4   30  8  o 31.123  2.4610  139.609   20.158    137.986   28.103    141.329   28.930    30.955  3.4480  31.291  3.5123  -0.3362141     4.921947 
1 1 1 4   30  9  o 14.653  3.1702  32.632    13.655    27.726    18.687    38.254    20.003    13.609  4.4510  15.697  4.5154  -2.087592      6.340398 
1 1 1 4   31  0  f 10.509  2.8741  11.327    11.453    10.161    15.393    12.773    17.141    10.127  3.9430  10.891  4.1826  -0.7640028     5.748182 
1 1 1 4   31  1  o 12.086  2.9544  13.808    13.095    -3.4161   17.438    36.079    19.829    8.6505  3.8240  15.522  4.5046  -6.871767      5.908858 
1 1 1 4   31  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 4   31  3  o 9.4396  2.7940  2.3742    12.340    11.288    16.961    -7.6502   17.986    10.571  4.1327  8.3079  3.7613  2.263391       5.588083 
1 1 1 4   31  4  o 11.357  2.7629  10.533    11.790    -6.9294   15.596    33.825    18.012    7.7254  3.4996  14.990  4.2764  -7.264236      5.525836 
1 1 1 4   31  5  o 32.470  2.4289  151.366   20.757    139.632   28.966    163.753   29.760    31.099  3.5405  33.841  3.3262  -2.742573      4.857872 
1 1 1 4   31  6  o 38.524  2.3481  212.661   23.980    205.258   33.270    220.666   34.594    37.826  3.3173  39.223  3.3241  -1.396862      4.696170 
1 1 1 4   32  0  o 19.510  3.0886  57.199    15.732    50.854    21.455    64.578    23.138    18.296  4.4262  20.724  4.3088  -2.428097      6.177162 
1 1 1 4   32  1  o 31.646  2.4726  143.542   20.523    128.189   28.305    160.560   29.801    29.772  3.6243  33.521  3.3645  -3.749161      4.945230 
1 1 1 4   32  2  o 28.301  2.6681  117.745   19.562    128.648   27.209    106.079   28.146    29.862  3.4662  26.740  4.0572  3.122610       5.336198 
1 1 1 4   32  3  f 10.400  3.0025  8.3946    13.175    4.9484    17.557    12.836    19.933    9.6211  4.0367  11.179  4.4458  -1.558300      6.004989 
1 1 1 4   32  4  o 16.234  3.1225  41.659    14.153    48.809    19.212    33.173    20.929    17.835  4.1067  14.632  4.7047  3.202650       6.244927 
1 1 1 4   33  0  o 12.893  3.1600  24.207    13.487    28.599    17.451    17.694    21.251    13.737  4.2812  12.048  4.6491  1.688959       6.320094 
1 1 1 5   -37 10 o 6.8430  3.3390  -29.6076  19.992    -29.6076  19.992    0.0000    0.0000    6.8430  3.3390  ?       ?       ?              ?        
1 1 1 5   -37 11 o 27.949  4.2779  125.509   31.007    125.509   31.007    0.0000    0.0000    27.949  4.2779  ?       ?       ?              ?        
1 1 1 5   -37 12 f 11.444  4.7809  14.224    24.467    14.224    24.467    0.0000    0.0000    11.444  4.7809  ?       ?       ?              ?        
1 1 1 5   -37 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -37 14 o 27.734  3.9005  120.018   28.174    0.0000    0.0000    120.018   28.174    ?       ?       27.734  3.9005  ?              ?        
1 1 1 5   -37 15 o 9.5665  4.0305  6.8879    17.622    0.0000    0.0000    6.8879    17.622    ?       ?       9.5665  4.0305  ?              ?        
1 1 1 5   -37 16 o 11.286  4.4546  16.792    19.874    0.0000    0.0000    16.792    19.874    ?       ?       11.286  4.4546  ?              ?        
1 1 1 5   -37 17 o 19.266  3.9064  77.314    22.292    41.391    49.289    86.551    24.994    15.318  6.6050  23.215  4.1730  -7.897051      7.812793 
1 1 1 5   -37 18 o 12.794  3.7668  21.733    18.719    22.994    41.409    21.409    20.986    13.553  5.9455  12.035  4.6265  1.517913       7.533499 
1 1 1 5   -37 19 o 28.900  3.0349  135.220   22.750    139.792   33.195    131.171   31.240    29.281  4.3660  28.520  4.2167  0.7606716      6.069839 
1 1 1 5   -37 20 o 12.968  3.3610  18.450    17.232    53.070    26.806    -5.9367   22.497    16.948  5.3100  8.9889  4.1219  7.958929       6.722044 
1 1 1 5   -37 21 o 9.6539  3.0247  2.0064    15.755    -8.4679   24.827    9.0677    20.385    9.1595  4.2464  10.148  4.3085  -0.9887495     6.049387 
1 1 1 5   -37 22 o 15.529  3.6199  45.174    17.893    35.971    27.542    51.895    23.536    14.086  5.3274  16.972  4.9025  -2.886291      7.239846 
1 1 1 5   -37 23 o 8.8802  2.8739  -3.8694   14.991    -3.5335   24.155    -4.0799   19.119    9.3486  4.2810  8.4118  3.8355  0.9367943      5.747863 
1 1 1 5   -37 24 o 17.614  3.8511  58.957    20.834    87.303    31.909    37.895    27.506    21.120  5.5633  14.108  5.3268  7.012125       7.702218 
1 1 1 5   -37 25 o 13.679  3.6299  32.829    18.657    52.492    28.076    17.279    24.968    16.043  5.4604  11.316  4.7841  4.727355       7.259742 
1 1 1 5   -36 5  f 17.663  3.0695  48.075    15.656    82.355    23.877    22.222    20.736    22.972  4.0275  12.354  4.6332  10.61775       6.138989 
1 1 1 5   -36 6  o 10.901  3.0052  8.9871    12.940    29.275    21.546    -2.4583   16.183    13.615  4.7766  8.1878  3.6481  5.427277       6.010436 
1 1 1 5   -36 7  o 8.3525  2.5602  -0.4430   11.134    -17.3831  19.194    8.1475    13.669    7.5466  3.5724  9.1584  3.6684  -1.611790      5.120488 
1 1 1 5   -36 8  o 13.426  3.3119  27.993    14.575    25.432    23.071    29.694    18.802    13.126  4.8941  13.725  4.4635  -0.5992632     6.623832 
1 1 1 5   -36 9  o 12.895  3.3844  24.254    15.479    22.920    24.010    25.203    20.249    12.839  4.9452  12.951  4.6219  -0.1118946     6.768848 
1 1 1 5   -36 10 o 27.309  4.4341  117.037   31.322    0.0000    0.0000    117.037   31.322    ?       ?       27.309  4.4341  ?              ?        
1 1 1 5   -36 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -36 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -36 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -36 14 o 20.431  4.9519  68.880    26.816    68.880    26.816    0.0000    0.0000    20.431  4.9519  ?       ?       ?              ?        
1 1 1 5   -36 15 o 25.559  4.4592  103.099   29.417    103.099   29.417    0.0000    0.0000    25.559  4.4592  ?       ?       ?              ?        
1 1 1 5   -36 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -36 17 o 23.031  4.4737  84.516    26.602    0.0000    0.0000    84.516    26.602    ?       ?       23.031  4.4737  ?              ?        
1 1 1 5   -36 18 o 11.618  4.4317  18.132    19.162    0.0000    0.0000    18.132    19.162    ?       ?       11.618  4.4317  ?              ?        
1 1 1 5   -36 19 f 10.025  4.2592  6.4215    19.947    0.0000    0.0000    6.4215    19.947    ?       ?       10.025  4.2592  ?              ?        
1 1 1 5   -36 20 o 13.057  3.7607  21.307    17.159    26.208    41.103    20.273    18.883    14.217  6.0789  11.897  4.4293  2.319947       7.521390 
1 1 1 5   -36 21 o 14.626  5.3886  35.793    27.808    35.793    27.808    0.0000    0.0000    14.626  5.3886  ?       ?       ?              ?        
1 1 1 5   -36 22 o 17.623  5.4217  55.687    28.090    55.687    28.090    0.0000    0.0000    17.623  5.4217  ?       ?       ?              ?        
1 1 1 5   -36 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -36 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -36 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -36 26 o 13.320  3.9922  13.312    20.613    66.431    45.217    -0.6237   23.160    17.104  6.7294  9.5353  4.2970  7.568803       7.984302 
1 1 1 5   -36 27 o 15.538  3.7562  43.820    19.798    66.244    29.337    25.068    26.828    18.483  5.5106  12.594  5.1058  5.889162       7.512369 
1 1 1 5   -36 28 o 8.1986  2.7552  -17.7087  16.773    -33.4909  26.171    -6.7070   21.851    7.7527  3.7909  8.6445  3.9992  -0.8918142     5.510402 
1 1 1 5   -36 29 o 13.088  3.6451  31.137    18.792    38.252    27.767    25.123    25.526    13.939  5.3305  12.237  4.9734  1.702066       7.290293 
1 1 1 5   -36 30 o 15.637  3.9836  53.339    21.235    61.015    31.895    47.227    28.460    16.406  5.8065  14.868  5.4554  1.537979       7.967211 
1 1 1 5   -35 0  o 29.185  2.6594  129.252   20.271    133.450   29.707    125.594   27.730    29.558  3.8431  28.813  3.6770  0.7458725      5.318829 
1 1 1 5   -35 1  o 23.352  3.0210  86.861    17.936    74.588    26.865    96.731    24.092    21.356  4.8120  25.349  3.6538  -3.992624      6.041973 
1 1 1 5   -35 2  o 15.543  3.2480  39.344    14.656    32.295    22.295    44.708    19.449    14.290  4.8658  16.796  4.3037  -2.505729      6.495988 
1 1 1 5   -35 3  o 13.239  3.1162  26.391    14.127    9.2661    21.958    38.486    18.454    10.843  4.5294  15.635  4.2810  -4.791986      6.232399 
1 1 1 5   -35 4  o 38.439  3.2261  213.758   32.908    0.0000    0.0000    213.758   32.908    ?       ?       38.439  3.2261  ?              ?        
1 1 1 5   -35 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -35 6  f 43.837  3.3709  278.548   39.276    278.548   39.276    0.0000    0.0000    43.837  3.3709  ?       ?       ?              ?        
1 1 1 5   -35 7  o 32.648  2.5112  156.251   21.531    154.708   31.593    157.589   29.422    32.370  3.7108  32.925  3.3844  -0.5548058     5.022414 
1 1 1 5   -35 8  o 26.131  2.6614  100.376   17.988    112.716   27.250    90.848    23.945    27.537  3.7954  24.725  3.7320  2.812609       5.322852 
1 1 1 5   -35 9  o 19.453  3.0971  58.043    15.659    66.655    23.883    51.547    20.740    20.696  4.4413  18.210  4.3177  2.485569       6.194116 
1 1 1 5   -35 10 o 17.270  3.2696  47.969    15.482    41.186    23.988    52.811    20.268    16.036  5.0230  18.504  4.1871  -2.468483      6.539273 
1 1 1 5   -35 11 o 11.189  2.6372  9.2431    12.961    -31.5700  20.546    36.220    16.704    7.0266  3.4189  15.351  4.0164  -8.324214      5.274493 
1 1 1 5   -35 12 o 28.384  2.6810  118.889   19.704    139.906   29.149    101.202   26.740    30.841  3.5961  25.927  3.9774  4.913513       5.362075 
1 1 1 5   -35 13 o 27.269  2.6610  110.845   18.852    107.771   27.465    113.584   25.925    26.774  3.9483  27.765  3.5687  -0.9906864     5.322057 
1 1 1 5   -35 14 f 7.1915  2.3860  -13.2611  11.471    -25.9126  19.815    -6.8845   14.068    7.1775  3.4593  7.2056  3.2872  -0.2807045E-01 4.772046 
1 1 1 5   -35 15 o 10.295  4.4333  4.0894    22.149    4.0894    22.149    0.0000    0.0000    10.295  4.4333  ?       ?       ?              ?        
1 1 1 5   -35 16 o 24.481  4.2531  92.332    26.876    92.332    26.876    0.0000    0.0000    24.481  4.2531  ?       ?       ?              ?        
1 1 1 5   -35 17 o 10.140  4.3917  3.2053    21.987    3.2053    21.987    0.0000    0.0000    10.140  4.3917  ?       ?       ?              ?        
1 1 1 5   -35 18 o 19.776  5.8698  68.629    33.342    68.629    33.342    0.0000    0.0000    19.776  5.8698  ?       ?       ?              ?        
1 1 1 5   -35 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -35 20 o 16.242  4.6866  42.880    21.519    0.0000    0.0000    42.880    21.519    ?       ?       16.242  4.6866  ?              ?        
1 1 1 5   -35 21 o 10.268  4.3425  7.0185    20.581    0.0000    0.0000    7.0185    20.581    ?       ?       10.268  4.3425  ?              ?        
1 1 1 5   -35 22 o 21.438  3.7259  32.879    21.061    190.128   51.023    0.5867    23.122    32.907  6.0103  9.9681  4.4051  22.93921       7.451719 
1 1 1 5   -35 23 o 13.148  3.8528  13.641    18.889    46.485    40.320    4.4056    21.380    16.251  6.3666  10.046  4.3408  6.205129       7.705582 
1 1 1 5   -35 24 o 10.774  3.2184  9.4694    15.801    5.7526    25.335    11.836    20.215    10.786  4.6929  10.761  4.4056  0.2464771E-01  6.436824 
1 1 1 5   -35 25 o 40.493  2.5260  246.691   27.111    250.379   38.801    243.174   37.897    40.768  3.5899  40.218  3.5546  0.5506630      5.052019 
1 1 1 5   -35 26 o 11.259  3.3546  10.865    17.757    -0.6437   26.011    20.910    24.300    10.185  4.5752  12.332  4.9074  -2.147120      6.709299 
1 1 1 5   -35 27 o 10.331  3.2022  4.3202    16.881    9.5376    25.259    0.1087    22.694    11.001  4.7360  9.6611  4.3112  1.340321       6.404418 
1 1 1 5   -35 28 o 39.100  2.7585  239.747   28.494    246.265   40.426    233.311   40.169    39.703  3.8498  38.496  3.9518  1.206959       5.517020 
1 1 1 5   -35 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -35 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -35 31 o 10.436  3.2464  5.8477    18.587    -15.2877  29.520    19.730    23.924    9.2560  4.3958  11.616  4.7785  -2.359885      6.492833 
1 1 1 5   -35 32 o 19.589  3.8847  78.083    21.256    74.625    31.385    81.014    28.890    18.776  5.7227  20.402  5.2548  -1.625492      7.769331 
1 1 1 5   -35 33 o 11.782  3.5227  18.954    19.289    41.781    30.392    3.5564    24.961    13.866  5.4974  9.6970  4.4063  4.169008       7.045350 
1 1 1 5   -34 0  o 20.204  4.0358  62.148    21.075    0.0000    0.0000    62.148    21.075    ?       ?       20.204  4.0358  ?              ?        
1 1 1 5   -34 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -34 2  o 10.608  2.9933  10.855    12.663    13.671    19.698    8.8715    16.531    11.241  4.4355  9.9759  4.0206  1.264966       5.986597 
1 1 1 5   -34 3  o 12.430  3.1930  21.151    13.773    16.987    21.446    24.073    17.967    11.993  4.6585  12.868  4.3682  -0.8748999     6.386076 
1 1 1 5   -34 4  o 15.607  3.0980  36.149    13.510    48.310    21.012    27.578    17.641    17.652  4.4463  13.561  4.3150  4.091051       6.195906 
1 1 1 5   -34 5  o 16.118  2.9779  37.245    13.997    63.379    21.349    17.541    18.537    20.504  4.0309  11.732  4.3845  8.771999       5.955836 
1 1 1 5   -34 6  o 16.747  3.2119  43.685    14.728    43.158    22.018    44.111    19.813    16.590  4.7263  16.904  4.3504  -0.3146744     6.423760 
1 1 1 5   -34 7  o 13.551  2.8831  27.497    13.469    -0.0454   21.764    44.592    17.146    9.8768  4.3221  17.225  3.8168  -7.348339      5.766169 
1 1 1 5   -34 8  o 18.335  2.9996  49.086    15.448    84.712    23.605    22.397    20.431    23.913  3.8135  12.757  4.6311  11.15570       5.999186 
1 1 1 5   -34 9  o 16.177  3.0415  37.689    13.873    59.536    21.696    22.579    18.043    19.757  4.2277  12.597  4.3739  7.160431       6.083084 
1 1 1 5   -34 10 o 8.7993  2.6984  0.1011    11.363    3.5666    18.787    -1.8980   14.269    9.6907  4.1258  7.9080  3.4791  1.782728       5.396888 
1 1 1 5   -34 11 o 44.485  2.2347  281.780   26.431    297.630   37.966    266.874   36.819    45.738  3.1176  43.232  3.2025  2.506607       4.469387 
1 1 1 5   -34 12 o 10.089  2.7336  5.3898    10.582    24.349    18.236    -4.2350   12.993    12.940  4.4007  7.2393  3.2440  5.700290       5.467153 
1 1 1 5   -34 13 o 10.391  2.9606  5.9465    13.090    20.778    20.280    -4.6445   17.138    12.455  4.5995  8.3266  3.7288  4.128754       5.921099 
1 1 1 5   -34 14 o 20.487  3.1268  64.499    16.626    69.340    24.469    60.346    22.662    21.199  4.4510  19.775  4.3926  1.423697       6.253519 
1 1 1 5   -34 15 o 11.214  3.0193  15.278    12.629    8.7452    20.635    19.191    15.968    10.689  4.4216  11.740  4.1125  -1.050291      6.038505 
1 1 1 5   -34 16 o 28.656  2.5829  120.541   19.293    133.410   27.718    108.448   26.870    30.267  3.4826  27.045  3.8153  3.222017       5.165735 
1 1 1 5   -34 17 o 11.517  3.1754  11.403    15.380    28.241    21.577    -5.9865   21.928    13.767  4.7829  9.2667  4.1781  4.499897       6.350772 
1 1 1 5   -34 18 o 12.344  4.6495  20.134    20.926    20.134    20.926    0.0000    0.0000    12.344  4.6495  ?       ?       ?              ?        
1 1 1 5   -34 19 o 11.917  4.6310  17.321    21.201    17.321    21.201    0.0000    0.0000    11.917  4.6310  ?       ?       ?              ?        
1 1 1 5   -34 20 o 20.054  4.9975  65.367    26.746    65.367    26.746    0.0000    0.0000    20.054  4.9975  ?       ?       ?              ?        
1 1 1 5   -34 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -34 22 o 24.986  4.3373  96.999    27.974    0.0000    0.0000    96.999    27.974    ?       ?       24.986  4.3373  ?              ?        
1 1 1 5   -34 23 f 41.813  3.3703  256.021   37.425    0.0000    0.0000    256.021   37.425    ?       ?       41.813  3.3703  ?              ?        
1 1 1 5   -34 24 o 22.637  4.0120  100.854   24.202    61.181    48.591    113.943   27.910    17.933  6.9993  27.342  3.9235  -9.408489      8.023956 
1 1 1 5   -34 25 o 17.311  3.7058  51.285    18.632    50.463    27.690    51.965    25.188    17.087  5.4029  17.534  5.0736  -0.4467411     7.411651 
1 1 1 5   -34 26 f 23.570  3.3395  90.652    20.340    109.407   29.346    73.310    28.219    26.336  4.3092  20.804  5.1028  5.531851       6.678905 
1 1 1 5   -34 27 o 23.011  3.4039  87.381    20.280    92.304    29.635    83.045    27.811    23.603  4.8497  22.418  4.7777  1.185015       6.807775 
1 1 1 5   -34 28 o 15.051  3.6447  38.350    17.722    44.272    25.988    33.202    24.229    15.930  5.2509  14.171  5.0560  1.758225       7.289371 
1 1 1 5   -34 29 o 37.305  2.6501  213.673   26.087    207.466   37.317    219.605   36.481    36.628  3.8618  37.981  3.6303  -1.352356      5.300251 
1 1 1 5   -34 30 o 12.407  3.3279  19.847    17.463    -7.2988   26.820    39.824    23.008    9.6824  4.4622  15.131  4.9384  -5.448275      6.655775 
1 1 1 5   -34 31 o 12.933  3.5525  24.910    17.972    38.692    26.805    13.655    24.223    14.656  5.3070  11.209  4.7241  3.447653       7.105072 
1 1 1 5   -34 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -34 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -34 34 o 14.648  3.8101  42.450    19.651    54.502    29.851    33.234    26.104    16.027  5.6224  13.269  5.1436  2.757672       7.620237 
1 1 1 5   -34 35 o 21.759  3.8281  97.309    22.331    88.823    33.464    104.122   29.984    20.031  5.8630  23.487  4.9237  -3.455349      7.656213 
1 1 1 5   -33 0  o 24.992  2.8866  96.116    17.939    64.874    25.820    125.267   24.941    20.380  4.8078  29.603  3.1961  -9.223576      5.773253 
1 1 1 5   -33 1  o 13.351  2.9623  25.294    12.047    35.690    18.091    17.011    16.148    15.308  4.2575  11.394  4.1201  3.913847       5.924662 
1 1 1 5   -33 2  o 17.698  2.9959  47.138    14.130    59.504    20.876    36.684    19.195    19.907  4.0529  15.488  4.4131  4.418971       5.991798 
1 1 1 5   -33 3  o 7.2594  2.3763  -10.1243  10.505    -9.6919   17.340    -10.3750  13.205    7.8929  3.6191  6.6260  3.0804  1.266821       4.752558 
1 1 1 5   -33 4  o 9.5490  2.7545  5.8566    10.947    11.582    17.494    2.1720    14.033    10.652  4.1873  8.4463  3.5797  2.205370       5.508934 
1 1 1 5   -33 5  o 42.369  2.1706  253.642   24.447    249.338   35.039    257.724   34.127    41.967  3.1399  42.771  2.9978  -0.8044624     4.341218 
1 1 1 5   -33 6  o 47.360  2.1412  315.551   27.002    330.607   38.783    301.385   37.618    48.479  3.0015  46.241  3.0545  2.238796       4.282366 
1 1 1 5   -33 7  o 75.456  2.3421  805.292   47.328    814.172   67.688    796.797   66.201    75.838  3.3322  75.073  3.2922  0.7652893      4.684278 
1 1 1 5   -33 8  o 68.955  2.2707  670.384   41.909    654.769   59.873    685.385   58.682    68.090  3.2829  69.820  3.1379  -1.729927      4.541348 
1 1 1 5   -33 9  o 19.778  2.9337  57.185    15.093    79.973    22.973    39.879    20.020    23.371  3.8003  16.186  4.4703  7.185713       5.867406 
1 1 1 5   -33 10 f 36.367  2.2143  186.221   21.310    203.457   31.109    170.984   29.251    37.984  3.0843  34.749  3.1779  3.235191       4.428568 
1 1 1 5   -33 11 o 35.262  2.2970  176.374   21.435    177.030   30.922    175.767   29.739    35.288  3.3102  35.236  3.1854  0.5234528E-01  4.593936 
1 1 1 5   -33 12 o 7.9723  2.4910  -5.3006   9.9537    4.8911    17.282    -10.3600  12.176    9.6367  4.0212  6.3079  2.9410  3.328781       4.981933 
1 1 1 5   -33 13 o 11.487  2.9217  12.243    12.178    30.760    19.328    0.0539    15.682    14.377  4.5097  8.5962  3.7160  5.781036       5.843485 
1 1 1 5   -33 14 o 25.690  2.7011  95.989    17.687    121.115   25.939    74.158    24.179    29.090  3.3928  22.290  4.2040  6.800663       5.402267 
1 1 1 5   -33 15 o 18.337  3.0918  51.207    14.922    49.329    22.353    52.717    20.041    17.921  4.6254  18.753  4.1040  -0.8310928     6.183625 
1 1 1 5   -33 16 o 34.654  2.3473  171.143   21.514    176.535   30.601    165.872   30.255    35.221  3.2814  34.087  3.3573  1.134258       4.694606 
1 1 1 5   -33 17 o 15.056  3.3612  34.487    15.300    29.009    22.722    39.030    20.694    14.151  4.9086  15.960  4.5932  -1.808172      6.722461 
1 1 1 5   -33 18 o 13.170  3.1361  23.691    14.104    8.9107    20.485    37.014    19.448    10.775  4.4258  15.566  4.4445  -4.791052      6.272204 
1 1 1 5   -33 19 o 11.699  3.2074  15.558    14.306    17.114    21.236    14.265    19.357    12.047  4.6478  11.351  4.4212  0.6955690      6.414762 
1 1 1 5   -33 20 o 17.072  4.9504  45.994    23.957    45.994    23.957    0.0000    0.0000    17.072  4.9504  ?       ?       ?              ?        
1 1 1 5   -33 21 o 18.773  4.6951  55.317    23.547    55.317    23.547    0.0000    0.0000    18.773  4.6951  ?       ?       ?              ?        
1 1 1 5   -33 22 o 28.250  3.9032  118.688   28.746    118.688   28.746    0.0000    0.0000    28.250  3.9032  ?       ?       ?              ?        
1 1 1 5   -33 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -33 24 o 21.489  4.6322  72.997    25.877    0.0000    0.0000    72.997    25.877    ?       ?       21.489  4.6322  ?              ?        
1 1 1 5   -33 25 o 19.882  4.6717  63.326    24.457    0.0000    0.0000    63.326    24.457    ?       ?       19.882  4.6717  ?              ?        
1 1 1 5   -33 26 o 36.674  3.8085  234.042   30.393    185.864   56.705    253.461   36.001    31.618  6.8904  41.729  3.2465  -10.11144      7.616949 
1 1 1 5   -33 27 o 33.887  2.6707  172.145   23.691    196.366   34.743    151.095   32.390    36.264  3.6254  31.509  3.9227  4.754272       5.341464 
1 1 1 5   -33 28 o 32.098  2.6996  156.370   22.610    176.404   32.572    137.742   31.409    34.302  3.5989  29.894  4.0250  4.407618       5.399266 
1 1 1 5   -33 29 o 18.166  3.2135  50.875    18.253    97.516    27.406    13.691    24.470    24.807  4.2792  11.526  4.7952  13.28134       6.426904 
1 1 1 5   -33 30 o 7.7651  2.6036  -22.5441  15.276    -46.6961  23.843    -5.7260   19.896    6.9037  3.4215  8.6266  3.9253  -1.722857      5.207196 
1 1 1 5   -33 31 o 36.844  2.5872  207.327   25.161    204.961   36.307    209.513   34.900    36.508  3.7670  37.180  3.5475  -0.6721573     5.174447 
1 1 1 5   -33 32 o 17.255  3.7604  54.094    19.100    52.931    27.968    55.111    26.148    16.976  5.4366  17.535  5.1966  -0.5582962     7.520752 
1 1 1 5   -33 33 o 18.209  3.6677  61.758    19.897    40.727    29.120    80.175    27.251    14.892  5.5090  21.527  4.8433  -6.635483      7.335313 
1 1 1 5   -33 34 o 11.010  3.3209  10.595    18.074    -5.0096   26.731    23.738    24.532    9.6688  4.4555  12.351  4.9257  -2.682189      6.641807 
1 1 1 5   -33 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -33 36 o 9.6862  3.1146  1.5928    17.591    2.7018    26.250    0.6888    23.700    9.9365  4.5165  9.4360  4.2900  0.5005436      6.229211 
1 1 1 5   -33 37 o 9.6006  3.0889  1.6309    17.634    12.990    25.405    -8.9297   24.497    10.559  4.6439  8.6422  4.0742  1.916884       6.177837 
1 1 1 5   -32 0  o 13.494  2.5897  21.182    11.687    51.344    17.773    -1.7989   15.514    18.681  3.6829  8.3065  3.6417  10.37452       5.179340 
1 1 1 5   -32 1  o 22.146  2.7264  72.031    15.296    98.068    22.462    49.515    20.888    26.214  3.2702  18.078  4.3635  8.136164       5.452869 
1 1 1 5   -32 2  o 25.572  2.4954  94.017    16.624    97.231    24.085    91.092    22.975    25.983  3.5538  25.162  3.5042  0.8219757      4.990849 
1 1 1 5   -32 3  o 23.150  2.6382  78.499    15.657    68.282    22.582    87.957    21.727    21.493  4.0716  24.807  3.3560  -3.314238      5.276381 
1 1 1 5   -32 4  o 10.868  2.8497  14.136    11.031    11.045    17.119    16.331    14.425    10.586  4.1481  11.150  3.9085  -0.5642834     5.699432 
1 1 1 5   -32 5  o 10.707  2.7252  6.3139    11.373    29.493    17.868    -9.4699   14.745    14.173  4.3177  7.2408  3.3264  6.932490       5.450453 
1 1 1 5   -32 6  o 38.271  2.1317  204.599   21.664    205.195   31.147    204.039   30.153    38.301  3.0617  38.241  2.9670  0.5940628E-01  4.263495 
1 1 1 5   -32 7  o 23.209  2.7270  79.028    16.113    71.062    24.256    85.319    21.557    21.930  4.2832  24.488  3.3764  -2.558203      5.453952 
1 1 1 5   -32 8  o 58.558  2.1408  476.042   33.498    497.461   48.031    455.757   46.743    59.899  2.9937  57.217  3.0611  2.681713       4.281662 
1 1 1 5   -32 9  o 28.143  2.4110  111.746   17.763    119.507   26.203    105.148   24.163    29.043  3.4350  27.243  3.3843  1.799946       4.822096 
1 1 1 5   -32 10 o 14.041  2.9142  28.989    12.840    10.691    19.752    42.383    16.899    11.062  4.4172  17.021  3.8025  -5.959146      5.828426 
1 1 1 5   -32 11 o 28.658  2.4607  116.169   18.051    148.091   26.477    88.448    24.673    32.545  3.0738  24.771  3.8433  7.773829       4.921321 
1 1 1 5   -32 12 o 13.080  3.0382  24.080    12.259    21.996    19.022    25.560    16.033    12.832  4.4889  13.327  4.0953  -0.4950676     6.076371 
1 1 1 5   -32 13 o 19.819  2.9553  57.234    15.171    68.124    22.656    48.382    20.426    21.586  4.0677  18.052  4.2881  3.534273       5.910511 
1 1 1 5   -32 14 o 29.869  2.3442  125.924   18.415    123.730   26.517    127.967   25.593    29.571  3.4103  30.166  3.2172  -0.5943947     4.688354 
1 1 1 5   -32 15 o 28.216  2.5098  113.653   18.472    107.900   26.773    118.879   25.518    27.434  3.7411  28.999  3.3467  -1.564816      5.019606 
1 1 1 5   -32 16 o 24.798  2.7874  90.973    17.397    66.599    24.826    114.495   24.388    21.114  4.5258  28.482  3.2552  -7.368013      5.574870 
1 1 1 5   -32 17 o 26.481  2.6832  102.249   17.890    131.493   25.579    74.245    25.031    30.568  3.1702  22.393  4.3298  8.175520       5.366313 
1 1 1 5   -32 18 o 46.683  2.1758  304.672   27.050    311.072   38.335    298.325   38.175    47.190  3.0491  46.175  3.1047  1.015442       4.351574 
1 1 1 5   -32 19 o 53.632  2.1952  403.710   31.214    452.440   44.261    355.496   44.026    57.011  2.9082  50.253  3.2890  6.758602       4.390318 
1 1 1 5   -32 20 o 40.667  2.2797  234.212   24.414    266.416   34.533    202.032   34.521    43.642  2.9719  37.693  3.4578  5.948631       4.559467 
1 1 1 5   -32 21 o 33.665  2.8522  174.111   23.277    204.982   30.142    128.506   36.636    38.226  2.9672  29.104  4.8719  9.121983       5.704343 
1 1 1 5   -32 22 o 7.7340  3.6266  -16.5177  18.956    -16.5177  18.956    0.0000    0.0000    7.7340  3.6266  ?       ?       ?              ?        
1 1 1 5   -32 23 o 30.514  3.6458  134.964   29.207    134.964   29.207    0.0000    0.0000    30.514  3.6458  ?       ?       ?              ?        
1 1 1 5   -32 24 o 13.095  5.3198  17.729    29.189    17.729    29.189    0.0000    0.0000    13.095  5.3198  ?       ?       ?              ?        
1 1 1 5   -32 25 o 26.614  3.9902  105.560   27.567    0.0000    0.0000    105.560   27.567    ?       ?       26.614  3.9902  ?              ?        
1 1 1 5   -32 26 o 27.122  4.0079  110.329   28.239    0.0000    0.0000    110.329   28.239    ?       ?       27.122  4.0079  ?              ?        
1 1 1 5   -32 27 f 57.475  3.1955  475.104   48.999    0.0000    0.0000    475.104   48.999    ?       ?       57.475  3.1955  ?              ?        
1 1 1 5   -32 28 o 9.1843  2.9807  -9.3242   16.520    -56.3136  35.619    3.5532    18.646    8.8341  4.3407  9.5346  4.0860  -0.7005186     5.961329 
1 1 1 5   -32 29 o 8.6039  2.7998  -9.7580   14.719    -7.6050   22.290    -11.4227  19.600    9.0636  4.1360  8.1443  3.7748  0.9192162      5.599612 
1 1 1 5   -32 30 o 23.384  3.3202  88.646    20.010    90.656    29.642    86.964    27.123    23.475  4.8737  23.294  4.5101  0.1807537      6.640339 
1 1 1 5   -32 31 o 17.937  3.5781  56.502    18.392    43.695    28.169    66.019    24.283    15.830  5.4668  20.044  4.6180  -4.214396      7.156189 
1 1 1 5   -32 32 o 14.877  3.4084  36.438    17.182    14.824    25.106    55.482    23.566    11.652  4.8532  18.102  4.7871  -6.449771      6.816846 
1 1 1 5   -32 33 o 13.675  3.5300  29.043    17.236    43.448    25.711    17.284    23.229    15.659  5.2258  11.691  4.7470  3.968194       7.059978 
1 1 1 5   -32 34 o 16.409  3.6020  47.516    18.305    64.696    26.268    31.300    25.521    19.144  5.0499  13.674  5.1378  5.470104       7.204071 
1 1 1 5   -32 35 o 9.7693  3.1087  -0.0405   17.100    -3.1150   24.196    3.0274    24.169    9.4940  4.3234  10.045  4.4681  -0.5507669     6.217357 
1 1 1 5   -32 36 o 9.8298  3.1086  0.4548    17.244    -12.1330  24.770    12.292    24.020    8.7967  4.1315  10.863  4.6459  -2.066097      6.217241 
1 1 1 5   -32 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -32 38 o 11.902  3.4673  22.581    18.108    34.810    26.673    12.126    24.662    13.266  5.1835  10.539  4.6066  2.727427       6.934631 
1 1 1 5   -32 39 o 8.1329  2.7535  -18.0182  17.042    0.0679    25.334    -32.9686  23.033    9.3036  4.3048  6.9623  3.4344  2.341220       5.506981 
1 1 1 5   -31 0  o 11.558  2.7286  14.136    11.109    31.952    16.604    -0.3006   14.947    14.711  4.0743  8.4046  3.6306  6.306177       5.457169 
1 1 1 5   -31 1  o 12.915  2.7163  20.127    11.142    40.848    17.277    5.3731    14.578    16.661  3.9344  9.1697  3.7462  7.491230       5.432606 
1 1 1 5   -31 2  o 24.927  2.3779  88.385    15.385    81.171    22.128    95.137    21.407    23.837  3.5762  26.018  3.1349  -2.181250      4.755701 
1 1 1 5   -31 3  o 11.881  2.9047  18.644    11.362    14.170    17.137    22.153    15.177    11.204  4.2101  12.558  4.0032  -1.353970      5.809476 
1 1 1 5   -31 4  o 28.847  2.3178  117.610   17.424    105.025   25.198    129.142   24.121    27.234  3.5379  30.460  2.9952  -3.225981      4.635517 
1 1 1 5   -31 5  o 9.5847  2.7477  4.9643    11.088    12.031    16.782    -0.5103   14.771    10.794  4.1402  8.3750  3.6135  2.419490       5.495348 
1 1 1 5   -31 6  o 59.679  2.0818  490.330   33.210    507.770   47.634    473.836   46.325    60.755  2.9272  58.604  2.9608  2.150951       4.163514 
1 1 1 5   -31 7  o 22.885  2.6214  74.294    15.293    94.695    22.566    56.964    20.798    25.964  3.3209  19.805  4.0570  6.158274       5.242879 
1 1 1 5   -31 8  o 11.452  2.9832  15.397    12.054    12.150    18.627    17.737    15.812    11.170  4.3407  11.735  4.0934  -0.5652456     5.966378 
1 1 1 5   -31 9  o 20.527  3.1823  55.025    16.171    85.815    29.431    41.710    19.354    24.177  4.7141  16.877  4.2763  7.300449       6.364698 
1 1 1 5   -31 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 21 o 11.474  4.6544  10.361    22.308    0.0000    0.0000    10.361    22.308    ?       ?       11.474  4.6544  ?              ?        
1 1 1 5   -31 22 o 9.5849  2.9227  0.2629    13.629    2.8422    20.029    -1.9610   18.598    10.037  4.2663  9.1328  3.9960  0.9042454      5.845458 
1 1 1 5   -31 23 o 19.450  4.5257  56.945    23.134    56.945    23.134    0.0000    0.0000    19.450  4.5257  ?       ?       ?              ?        
1 1 1 5   -31 24 o 14.957  4.6462  33.304    20.572    33.304    20.572    0.0000    0.0000    14.957  4.6462  ?       ?       ?              ?        
1 1 1 5   -31 25 f 31.123  3.5511  139.069   29.073    139.069   29.073    0.0000    0.0000    31.123  3.5511  ?       ?       ?              ?        
1 1 1 5   -31 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -31 27 o 11.874  4.4970  17.359    19.643    0.0000    0.0000    17.359    19.643    ?       ?       11.874  4.4970  ?              ?        
1 1 1 5   -31 28 o 47.680  3.1280  323.936   39.727    0.0000    0.0000    323.936   39.727    ?       ?       47.680  3.1280  ?              ?        
1 1 1 5   -31 29 o 28.920  3.7708  124.141   28.515    0.0000    0.0000    124.141   28.515    ?       ?       28.920  3.7708  ?              ?        
1 1 1 5   -31 30 o 13.147  3.3913  23.947    15.749    34.338    23.432    15.385    21.270    14.721  4.9885  11.573  4.5955  3.148236       6.782590 
1 1 1 5   -31 31 o 15.787  3.5115  40.766    16.445    44.262    25.044    38.116    21.805    16.273  5.1375  15.302  4.7883  0.9704437      7.022915 
1 1 1 5   -31 32 o 30.879  2.7526  148.005   21.606    120.667   31.586    172.043   29.619    27.587  4.4242  34.172  3.2762  -6.584232      5.505156 
1 1 1 5   -31 33 o 23.815  3.2822  94.107    20.079    71.899    28.669    115.486   28.130    20.355  5.2303  27.274  3.9668  -6.919323      6.564404 
1 1 1 5   -31 34 o 8.5297  2.7676  -13.7374  15.224    5.3620    21.306    -33.6627  21.762    10.011  4.3296  7.0482  3.4486  2.963109       5.535195 
1 1 1 5   -31 35 o 29.417  2.9878  138.776   22.850    141.190   33.019    136.557   31.655    29.591  4.2912  29.242  4.1586  0.3486004      5.975640 
1 1 1 5   -31 36 o 23.707  3.3955  97.217    20.991    135.214   30.394    62.563    29.026    29.151  3.9979  18.262  5.4896  10.88950       6.791050 
1 1 1 5   -31 37 o 13.006  3.3955  23.551    17.538    49.422    25.456    0.1765    24.198    16.285  5.1838  9.7275  4.3872  6.557018       6.791054 
1 1 1 5   -31 38 o 12.790  5.1672  27.840    27.374    27.840    27.374    0.0000    0.0000    12.790  5.1672  ?       ?       ?              ?        
1 1 1 5   -31 39 o 18.128  6.1498  76.288    35.613    0.0000    0.0000    76.288    35.613    ?       ?       18.128  6.1498  ?              ?        
1 1 1 5   -31 40 o 14.669  3.7070  44.985    20.225    21.242    28.412    69.377    28.797    11.487  4.9837  17.852  5.4891  -6.364611      7.414068 
1 1 1 5   -30 0  o 28.490  2.2960  113.606   17.090    129.305   24.566    98.882    23.790    30.490  3.0489  26.489  3.4339  4.001425       4.592093 
1 1 1 5   -30 1  o 6.4150  2.1353  -13.6773  9.4044    -15.7544  14.180    -12.0465  12.565    6.5073  3.0775  6.3228  2.9609  0.1844926      4.270597 
1 1 1 5   -30 2  o 16.432  2.8263  39.191    12.308    39.882    17.856    38.566    16.990    16.559  4.0577  16.304  3.9353  0.2546864      5.652538 
1 1 1 5   -30 3  o 50.098  2.0268  344.599   27.078    346.695   38.726    342.593   37.876    50.237  2.8902  49.958  2.8423  0.2783813      4.053621 
1 1 1 5   -30 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -30 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -30 6  o 12.175  2.8627  17.001    11.830    31.894    17.363    4.0992    16.161    14.898  4.1808  9.4520  3.9116  5.445647       5.725366 
1 1 1 5   -30 7  o 24.184  2.4799  81.869    15.535    91.916    22.602    72.871    21.389    25.653  3.3711  22.716  3.6381  2.936909       4.959880 
1 1 1 5   -30 8  o 16.293  2.9822  38.458    13.096    36.993    19.407    39.683    17.745    16.003  4.3937  16.584  4.0336  -0.5814743     5.964466 
1 1 1 5   -30 9  o 66.818  2.1259  610.375   38.044    608.438   54.105    612.270   53.506    66.704  3.0283  66.933  2.9845  -0.2295837     4.251787 
1 1 1 5   -30 10 o 11.900  2.6031  11.182    11.463    38.910    17.193    -11.0083  15.381    16.439  3.9533  7.3610  3.3875  9.077573       5.206109 
1 1 1 5   -30 11 o 6.7333  2.2031  -10.2572  8.6901    -5.9375   15.224    -12.3451  10.584    7.8678  3.5195  5.5988  2.6511  2.268978       4.406269 
1 1 1 5   -30 12 o 44.309  2.0690  269.124   24.415    265.114   34.273    273.255   34.789    43.973  2.9266  44.646  2.9254  -0.6732559     4.137987 
1 1 1 5   -30 13 o 34.899  2.1976  168.251   20.264    182.065   28.647    154.418   28.667    36.391  2.9648  33.407  3.2447  2.983120       4.395226 
1 1 1 5   -30 14 o 60.066  2.0882  493.043   33.595    497.759   47.534    488.336   47.487    60.358  2.9403  59.773  2.9661  0.5844612      4.176448 
1 1 1 5   -30 15 o 70.389  2.1598  678.419   40.712    688.941   57.362    667.739   57.792    70.957  3.0181  69.821  3.0903  1.136269       4.319575 
1 1 1 5   -30 16 o 20.608  2.9062  60.995    15.468    74.915    22.433    48.378    21.358    22.985  3.7748  18.230  4.4198  4.755701       5.812391 
1 1 1 5   -30 17 o 53.431  2.0842  392.502   29.640    419.773   41.729    364.734   42.107    55.366  2.8233  51.496  3.0666  3.869640       4.168336 
1 1 1 5   -30 18 o 53.542  2.0721  393.897   29.577    409.313   41.630    378.185   42.029    54.637  2.8546  52.447  3.0043  2.189877       4.144216 
1 1 1 5   -30 19 f 29.612  2.2886  122.093   17.838    128.201   25.321    116.075   25.134    30.382  3.1577  28.842  3.3137  1.539572       4.577290 
1 1 1 5   -30 20 o 27.145  2.4716  103.622   17.531    98.277    24.734    109.018   24.852    26.396  3.5916  27.893  3.3965  -1.497597      4.943285 
1 1 1 5   -30 21 o 26.708  2.5104  101.373   17.152    79.952    24.047    123.558   24.472    23.618  3.9400  29.799  3.1120  -6.180408      5.020753 
1 1 1 5   -30 22 o 20.792  2.9463  64.206    15.821    44.193    22.509    83.743    22.241    17.271  4.7278  24.314  3.5173  -7.043356      5.892661 
1 1 1 5   -30 23 o 13.358  3.2912  23.804    14.449    24.540    20.756    23.112    20.127    13.516  4.6912  13.201  4.6175  0.3149347      6.582469 
1 1 1 5   -30 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -30 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -30 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -30 27 o 25.655  4.0112  96.351    26.661    96.351    26.661    0.0000    0.0000    25.655  4.0112  ?       ?       ?              ?        
1 1 1 5   -30 28 o 21.516  7.2122  80.392    48.973    0.0000    0.0000    80.392    48.973    ?       ?       21.516  7.2122  ?              ?        
1 1 1 5   -30 29 o 32.714  3.4187  153.838   29.514    0.0000    0.0000    153.838   29.514    ?       ?       32.714  3.4187  ?              ?        
1 1 1 5   -30 30 o 24.361  3.9560  88.569    24.928    0.0000    0.0000    88.569    24.928    ?       ?       24.361  3.9560  ?              ?        
1 1 1 5   -30 31 o 8.1159  2.6804  -14.7993  14.172    -11.9196  21.848    -16.8908  18.620    8.7028  4.0166  7.5290  3.5503  1.173772       5.360716 
1 1 1 5   -30 32 o 15.267  3.2962  32.441    16.938    63.976    25.143    6.2357    22.920    19.901  4.7774  10.633  4.5428  9.267233       6.592473 
1 1 1 5   -30 33 o 16.770  3.3179  44.275    16.741    70.100    24.756    22.517    22.724    20.884  4.5541  12.656  4.8265  8.227846       6.635829 
1 1 1 5   -30 34 o 13.082  3.1370  18.973    15.869    50.813    23.172    -9.1527   21.778    17.412  4.8095  8.7517  4.0287  8.659775       6.273921 
1 1 1 5   -30 35 o 14.187  3.5819  33.566    17.278    29.939    25.381    36.700    23.588    13.660  5.1254  14.715  5.0049  -1.054561      7.163709 
1 1 1 5   -30 36 o 10.191  3.0830  -4.7555   16.593    26.582    24.840    -30.0064  22.297    13.041  5.0280  7.3403  3.5692  5.700858       6.166058 
1 1 1 5   -30 37 o 21.246  3.5385  80.347    20.377    56.171    28.758    104.725   28.877    17.295  5.5101  25.198  4.4410  -7.902676      7.076970 
1 1 1 5   -30 38 f 10.230  3.1849  2.9397    17.616    -12.0762  25.723    16.202    24.174    9.0298  4.2311  11.430  4.7617  -2.400653      6.369884 
1 1 1 5   -30 39 o 17.400  3.8078  59.405    20.407    42.638    29.026    75.792    28.696    14.767  5.4927  20.033  5.2751  -5.266525      7.615593 
1 1 1 5   -30 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -30 41 o 26.336  3.5816  135.339   24.154    101.442   34.362    168.448   33.960    21.544  5.8180  31.128  4.1787  -9.583664      7.163146 
1 1 1 5   -29 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -29 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -29 2  o 70.402  2.1700  678.455   40.843    637.559   58.125    718.343   57.404    68.251  3.1795  72.553  2.9539  -4.301888      4.339923 
1 1 1 5   -29 3  o 24.684  2.2605  84.512    14.580    87.045    21.206    82.241    20.078    25.028  3.2393  24.340  3.1538  0.6881313      4.521038 
1 1 1 5   -29 4  o 27.525  2.2837  106.053   16.249    88.702    23.317    122.433   22.656    25.190  3.5547  29.860  2.8680  -4.669762      4.567472 
1 1 1 5   -29 5  o 41.016  2.0078  229.758   21.916    236.838   31.404    223.036   30.599    41.637  2.8327  40.396  2.8462  1.240601       4.015637 
1 1 1 5   -29 6  o 16.808  2.7732  40.535    12.252    38.363    17.828    42.480    16.865    16.354  4.0826  17.263  3.7544  -0.9084282     5.546457 
1 1 1 5   -29 7  o 25.893  2.2071  92.601    14.992    94.840    21.581    90.513    20.842    26.195  3.1384  25.591  3.1042  0.6040993      4.414282 
1 1 1 5   -29 8  o 47.120  2.0175  303.094   25.322    293.114   36.083    312.778   35.544    46.331  2.9226  47.908  2.7819  -1.576900      4.034922 
1 1 1 5   -29 9  o 70.997  2.1246  686.276   40.398    683.250   57.500    689.226   56.770    70.833  3.0307  71.162  2.9784  -0.3292542     4.249249 
1 1 1 5   -29 10 o 21.975  2.4604  67.350    13.961    75.081    20.380    60.515    19.163    23.210  3.3774  20.740  3.5789  2.469498       4.920868 
1 1 1 5   -29 11 o 18.845  2.7554  50.832    13.447    44.244    19.225    57.143    18.816    17.562  4.1523  20.129  3.6232  -2.566406      5.510823 
1 1 1 5   -29 12 o 56.298  2.0320  432.051   30.538    436.867   43.073    427.184   43.302    56.623  2.8491  55.974  2.8982  0.6493073      4.064100 
1 1 1 5   -29 13 f 13.583  2.9800  25.295    12.413    15.723    18.158    33.691    17.006    11.813  4.3541  15.352  4.0698  -3.539102      5.959983 
1 1 1 5   -29 14 o 25.555  2.3735  90.932    15.789    82.734    22.331    99.127    22.327    24.335  3.5289  26.775  3.1751  -2.439781      4.747047 
1 1 1 5   -29 15 f 63.006  2.0652  541.026   34.812    564.561   48.884    516.809   49.586    64.428  2.8327  61.584  3.0061  2.844410       4.130489 
1 1 1 5   -29 16 o 39.808  2.0906  217.533   22.059    235.131   31.069    199.643   31.325    41.485  2.8126  38.130  3.0938  3.354794       4.181209 
1 1 1 5   -29 17 o 54.995  2.0336  413.032   29.846    417.995   42.013    407.975   42.408    55.341  2.8439  54.649  2.9076  0.6922684      4.067203 
1 1 1 5   -29 18 o 51.566  2.0042  363.188   27.571    354.899   38.834    371.613   39.152    50.964  2.8564  52.169  2.8123  -1.205338      4.008460 
1 1 1 5   -29 19 o 16.802  2.8201  40.156    14.498    72.330    20.363    7.0805    20.647    22.705  3.4575  10.899  4.4562  11.80549       5.640207 
1 1 1 5   -29 20 o 9.1878  2.7209  1.6268    11.388    7.6877    16.632    -3.7239   15.627    10.126  4.0498  8.2499  3.6348  1.875797       5.441761 
1 1 1 5   -29 21 o 19.398  2.8263  54.097    14.214    66.279    20.491    42.798    19.734    21.626  3.6687  17.170  4.3003  4.455542       5.652573 
1 1 1 5   -29 22 o 64.167  2.1033  563.716   36.134    541.895   50.640    586.351   51.576    62.887  3.0064  65.447  2.9422  -2.560043      4.206511 
1 1 1 5   -29 23 o 34.643  2.1858  166.238   20.031    177.469   28.392    155.109   28.264    35.856  2.9834  33.431  3.1953  2.424805       4.371568 
1 1 1 5   -29 24 o 46.617  2.0597  299.303   25.590    300.087   36.208    298.521   36.171    46.680  2.9104  46.555  2.9154  0.1247177      4.119458 
1 1 1 5   -29 25 o 50.710  2.0920  354.931   28.290    358.879   40.099    351.019   39.918    50.997  2.9482  50.423  2.9687  0.5738220      4.183923 
1 1 1 5   -29 26 o 72.152  2.5900  732.422   48.053    739.611   60.607    720.251   78.855    73.132  3.0941  71.173  4.1545  1.958832       5.180045 
1 1 1 5   -29 27 o 42.493  3.0609  251.396   34.606    251.396   34.606    0.0000    0.0000    42.493  3.0609  ?       ?       ?              ?        
1 1 1 5   -29 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -29 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -29 30 o 29.944  3.4481  128.539   27.150    0.0000    0.0000    128.539   27.150    ?       ?       29.944  3.4481  ?              ?        
1 1 1 5   -29 31 o 19.137  4.6072  56.661    23.332    0.0000    0.0000    56.661    23.332    ?       ?       19.137  4.6072  ?              ?        
1 1 1 5   -29 32 o 16.148  3.7246  19.407    18.110    88.472    38.401    -0.3474   20.538    22.723  6.1565  9.5733  4.1937  13.14940       7.449119 
1 1 1 5   -29 33 o 20.125  3.3021  64.942    17.522    55.785    25.524    73.104    24.098    18.502  5.0219  21.749  4.2891  -3.246708      6.604220 
1 1 1 5   -29 34 o 40.632  2.3940  242.766   25.689    222.087   36.721    262.585   35.949    38.717  3.5816  42.547  3.1775  -3.829674      4.787920 
1 1 1 5   -29 35 o 11.999  3.2949  15.387    16.489    -3.0371   23.416    33.509    23.224    9.6398  4.3346  14.359  4.9635  -4.718775      6.589777 
1 1 1 5   -29 36 o 8.2912  2.7280  -11.7751  14.687    -13.1456  20.453    -10.3159  21.105    8.1051  3.7899  8.4773  3.9248  -0.3721485     5.455939 
1 1 1 5   -29 37 o 12.243  3.3443  18.785    16.817    36.320    23.661    0.8813    23.908    14.550  5.0111  9.9360  4.4301  4.613892       6.688563 
1 1 1 5   -29 38 o 13.847  3.6671  32.590    18.495    37.698    25.864    27.245    26.458    14.589  5.2217  13.104  5.1502  1.484282       7.334216 
1 1 1 5   -29 39 o 13.907  3.5809  31.964    18.725    50.956    26.220    12.197    26.750    16.554  5.2600  11.260  4.8604  5.294048       7.161808 
1 1 1 5   -29 40 o 9.3080  3.0198  -6.8862   17.450    -20.4606  24.233    7.7308    25.147    8.1348  3.8962  10.481  4.6147  -2.346365      6.039566 
1 1 1 5   -29 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -29 42 o 17.757  3.8942  68.915    21.746    92.245    31.067    46.501    30.450    21.129  5.4527  14.386  5.5612  6.743724       7.788376 
1 1 1 5   -29 43 o 10.425  3.2354  6.2873    19.578    37.708    27.123    -27.8973  28.291    12.918  5.1698  7.9321  3.8916  4.985488       6.470850 
1 1 1 5   -28 0  o 27.144  2.1321  101.509   15.239    102.857   21.633    100.182   21.469    27.327  3.0052  26.961  3.0252  0.3666553      4.264162 
1 1 1 5   -28 1  o 23.177  2.4151  75.813    14.285    60.964    20.362    90.206    20.047    20.767  3.8007  25.586  2.9810  -4.819347      4.830300 
1 1 1 5   -28 2  o 28.697  2.1351  113.592   16.076    102.203   22.870    124.715   22.601    27.211  3.1990  30.183  2.8286  -2.972450      4.270195 
1 1 1 5   -28 3  o 35.983  2.0553  177.882   19.172    225.898   27.725    133.887   26.539    40.773  2.5515  31.193  3.2229  9.579979       4.110613 
1 1 1 5   -28 4  o 37.369  2.0266  191.088   19.972    219.398   28.491    163.736   28.004    40.161  2.6637  34.578  3.0551  5.582928       4.053232 
1 1 1 5   -28 5  o 105.172 2.5448  1511.38   71.682    1532.30   102.120   1491.06   100.644   105.888 3.6006  104.455 3.5972  1.432625       5.089637 
1 1 1 5   -28 6  o 76.917  2.1662  803.682   44.623    820.101   63.647    787.809   62.581    77.691  3.0585  76.143  3.0685  1.548492       4.332469 
1 1 1 5   -28 7  o 26.811  2.1652  98.829    15.095    117.206   21.863    82.086    20.868    29.274  2.8233  24.348  3.2835  4.925667       4.330421 
1 1 1 5   -28 8  o 95.098  2.3954  1232.27   61.012    1237.33   86.901    1227.35   85.680    95.283  3.4050  94.914  3.3702  0.3682098      4.790891 
1 1 1 5   -28 9  o 39.416  2.0113  211.642   21.074    222.993   30.033    200.633   29.577    40.475  2.7873  38.356  2.9004  2.118652       4.022563 
1 1 1 5   -28 10 o 76.034  2.1581  785.221   43.901    834.131   62.510    737.619   61.669    78.396  2.9769  73.671  3.1252  4.724480       4.316126 
1 1 1 5   -28 11 o 28.505  2.1601  111.600   16.223    116.457   22.986    106.779   22.899    29.146  2.9866  27.865  3.1217  1.280487       4.320296 
1 1 1 5   -28 12 o 41.887  1.9859  238.778   22.149    234.871   31.023    242.840   31.632    41.537  2.8048  42.237  2.8121  -0.7000618     3.971785 
1 1 1 5   -28 13 o 15.629  2.7240  34.423    11.651    47.536    16.862    22.443    16.117    18.363  3.5568  12.894  4.1269  5.469430       5.448084 
1 1 1 5   -28 14 o 62.488  2.0109  529.884   33.640    542.486   47.243    516.922   47.914    63.258  2.7882  61.719  2.8984  1.538647       4.021805 
1 1 1 5   -28 15 o 38.478  2.0214  202.083   20.670    207.800   29.030    196.203   29.438    39.049  2.7940  37.907  2.9219  1.141815       4.042783 
1 1 1 5   -28 16 o 12.647  2.4414  16.292    11.717    -17.3081  17.201    45.376    16.003    7.3525  3.4499  17.942  3.4553  -10.58973      4.882728 
1 1 1 5   -28 17 o 29.336  2.1655  118.297   16.744    125.531   23.894    111.316   23.472    30.244  2.9886  28.428  3.1347  1.816362       4.331059 
1 1 1 5   -28 18 o 57.700  2.0048  452.924   30.922    459.641   43.410    446.006   44.056    58.184  2.7855  57.217  2.8840  0.9665413      4.009523 
1 1 1 5   -28 19 o 68.869  2.0757  645.420   38.280    650.011   53.672    640.666   54.614    69.132  2.8985  68.606  2.9720  0.5257568      4.151437 
1 1 1 5   -28 20 o 57.568  2.0058  452.179   30.796    481.868   43.277    421.720   43.834    59.562  2.7127  55.574  2.9554  3.988232       4.011592 
1 1 1 5   -28 21 o 66.784  2.0683  607.657   36.996    607.425   52.098    607.894   52.545    66.776  2.9128  66.792  2.9371  -0.1628876E-01 4.136558 
1 1 1 5   -28 22 o 9.1741  2.7509  1.1837    11.746    2.9291    16.644    -0.5478   16.577    9.4213  3.9401  8.9270  3.8399  0.4943237      5.501739 
1 1 1 5   -28 23 o 7.7057  2.4379  -7.7703   10.720    -17.8838  15.914    0.6302    14.504    6.8922  3.2598  8.5191  3.6260  -1.626836      4.875832 
1 1 1 5   -28 24 o 53.522  2.0169  392.220   28.808    390.590   40.848    393.833   40.634    53.405  2.8661  53.639  2.8384  -0.2331924     4.033702 
1 1 1 5   -28 25 o 9.8638  2.8923  3.7291    12.762    -3.0463   18.673    9.6667    17.481    9.1307  3.9994  10.597  4.1794  -1.466220      5.784666 
1 1 1 5   -28 26 o 35.877  2.1638  179.661   20.332    151.814   29.073    206.320   28.446    33.007  3.3342  38.748  2.7588  -5.740711      4.327558 
1 1 1 5   -28 27 o 38.387  2.4937  211.157   24.430    230.494   31.780    183.221   38.197    40.861  2.9230  35.913  4.0411  4.947720       4.987439 
1 1 1 5   -28 28 o 49.631  3.0091  340.992   39.813    340.992   39.813    0.0000    0.0000    49.631  3.0091  ?       ?       ?              ?        
1 1 1 5   -28 29 o 45.488  3.0859  288.036   37.376    288.036   37.376    0.0000    0.0000    45.488  3.0859  ?       ?       ?              ?        
1 1 1 5   -28 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -28 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -28 32 o 7.7061  3.6218  -17.2103  19.091    0.0000    0.0000    -17.2103  19.091    ?       ?       7.7061  3.6218  ?              ?        
1 1 1 5   -28 33 o 14.283  3.6347  30.180    18.752    0.6156    36.667    40.651    21.821    12.417  5.5144  16.149  4.7367  -3.731754      7.269392 
1 1 1 5   -28 34 o 17.126  2.9515  43.649    17.132    -2.5837   24.644    86.888    23.833    10.119  4.5057  24.133  3.8136  -14.01470      5.902976 
1 1 1 5   -28 35 o 47.551  2.2687  327.594   28.673    311.346   40.915    343.274   40.193    46.258  3.3244  48.845  3.0880  -2.586876      4.537392 
1 1 1 5   -28 36 o 15.244  3.5819  38.516    17.199    33.713    24.656    43.069    24.003    14.448  5.1060  16.039  5.0247  -1.590847      7.163724 
1 1 1 5   -28 37 o 13.363  3.6209  27.316    18.136    28.446    26.042    26.251    25.271    13.536  5.1657  13.190  5.0754  0.3461571      7.241827 
1 1 1 5   -28 38 f 9.1688  2.8863  -9.6323   15.385    -30.9359  21.033    14.885    22.564    7.0214  3.4257  11.316  4.6462  -4.294869      5.772583 
1 1 1 5   -28 39 o 17.213  3.3398  49.712    18.992    12.531    26.519    88.862    27.213    11.372  4.8730  23.054  4.5683  -11.68289      6.679533 
1 1 1 5   -28 40 o 13.396  3.6982  30.170    19.190    27.325    26.630    33.243    27.677    12.997  5.1481  13.796  5.3107  -0.7991543     7.396358 
1 1 1 5   -28 41 o 30.188  3.2846  156.567   25.668    167.462   36.874    146.324   35.753    31.390  4.5158  28.986  4.7710  2.403267       6.569244 
1 1 1 5   -28 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -28 43 o 10.122  3.2220  5.6061    18.989    18.970    25.915    -9.8901   27.905    11.196  4.8080  9.0486  4.2905  2.147124       6.443964 
1 1 1 5   -27 0  o 46.527  1.9671  294.243   24.387    308.350   34.774    280.589   34.211    47.639  2.7367  45.415  2.8264  2.224022       3.934181 
1 1 1 5   -27 1  o 48.444  1.9849  319.822   25.530    286.821   36.142    352.688   36.068    45.896  2.9557  50.991  2.6500  -5.095070      3.969719 
1 1 1 5   -27 2  o 79.460  2.1976  857.254   46.761    847.038   66.602    867.185   65.668    78.979  3.1484  79.941  3.0669  -0.9618912     4.395226 
1 1 1 5   -27 3  o 41.756  1.9414  236.871   21.583    246.001   30.712    227.962   30.338    42.562  2.7081  40.950  2.7825  1.612671       3.882747 
1 1 1 5   -27 4  o 26.959  2.0855  99.376    14.756    110.938   21.378    88.854    20.393    28.493  2.8390  25.425  3.0557  3.067608       4.170980 
1 1 1 5   -27 5  o 104.818 2.4915  1494.56   69.941    1528.76   99.737    1461.46   98.105    106.003 3.5127  103.633 3.5343  2.369514       4.983037 
1 1 1 5   -27 6  o 41.704  1.9394  236.159   21.467    261.897   30.740    211.658   29.993    43.956  2.6229  39.453  2.8576  4.503216       3.878830 
1 1 1 5   -27 7  o 17.173  2.6226  42.562    11.732    32.340    17.253    51.355    16.001    15.138  4.1372  19.209  3.2242  -4.071205      5.245189 
1 1 1 5   -27 8  o 57.619  1.9877  450.030   30.564    421.423   43.352    478.303   43.098    55.737  2.9140  59.500  2.7043  -3.762604      3.975459 
1 1 1 5   -27 9  o 49.321  1.9555  329.858   25.719    321.201   36.497    338.396   36.249    48.666  2.8119  49.975  2.7182  -1.309856      3.910921 
1 1 1 5   -27 10 o 63.779  2.0194  550.042   34.496    545.366   48.802    554.711   48.766    63.505  2.8691  64.052  2.8425  -0.5474739     4.038735 
1 1 1 5   -27 11 o 69.803  2.0662  659.166   38.624    642.960   54.504    675.514   54.742    68.934  2.9519  70.672  2.8919  -1.738091      4.132450 
1 1 1 5   -27 12 o 101.131 2.4217  1388.90   65.599    1383.34   92.843    1394.45   92.699    100.924 3.4345  101.337 3.4152  -0.4125061     4.843484 
1 1 1 5   -27 13 o 24.676  2.2716  84.813    14.339    103.164   20.327    66.638    20.229    27.486  2.8001  21.867  3.5776  5.619349       4.543149 
1 1 1 5   -27 14 o 29.085  2.1773  115.851   16.695    111.438   23.499    120.348   23.723    28.509  3.1289  29.660  3.0286  -1.151056      4.354537 
1 1 1 5   -27 15 o 34.000  2.0394  157.845   18.357    165.970   25.666    149.335   26.266    34.927  2.7661  33.073  2.9976  1.854542       4.078843 
1 1 1 5   -27 16 f 27.536  2.2388  104.294   16.158    95.177    22.728    113.610   22.975    26.273  3.3028  28.800  3.0234  -2.527554      4.477613 
1 1 1 5   -27 17 o 34.341  2.0329  160.623   18.510    156.727   25.523    164.946   26.883    33.907  2.8364  34.774  2.9131  -0.8671532     4.065849 
1 1 1 5   -27 18 o 67.423  2.0363  615.855   36.766    603.477   51.383    628.840   52.629    66.731  2.8748  68.116  2.8846  -1.385117      4.072544 
1 1 1 5   -27 19 o 57.175  1.9668  442.826   30.116    434.473   42.205    451.492   42.987    56.625  2.7827  57.724  2.7803  -1.098953      3.933617 
1 1 1 5   -27 20 o 102.026 2.4273  1420.49   66.329    1418.37   93.428    1422.65   94.184    101.956 3.4212  102.097 3.4441  -0.1408997     4.854506 
1 1 1 5   -27 21 o 45.081  1.9646  276.740   23.605    271.929   33.214    281.651   33.555    44.681  2.7892  45.482  2.7676  -0.8003807     3.929265 
1 1 1 5   -27 22 o 76.542  2.1216  797.811   43.463    833.992   61.505    761.719   61.428    78.304  2.9325  74.781  3.0668  3.523651       4.243216 
1 1 1 5   -27 23 o 41.706  2.0093  238.557   22.194    214.092   31.613    262.337   31.167    39.530  3.0083  43.881  2.6643  -4.351517      4.018511 
1 1 1 5   -27 24 o 8.3605  2.5319  -9.8890   11.380    10.822    16.625    -28.1492  15.610    10.665  4.1130  6.0557  2.9539  4.609683       5.063796 
1 1 1 5   -27 25 o 35.149  2.1048  169.427   19.463    199.007   28.303    142.889   26.808    38.127  2.7909  32.171  3.1515  5.955311       4.209621 
1 1 1 5   -27 26 o 55.326  2.0271  418.566   29.922    432.637   43.116    405.493   41.560    56.222  2.8727  54.430  2.8607  1.791775       4.054121 
1 1 1 5   -27 27 o 40.369  2.1683  227.630   22.796    180.314   32.453    273.717   32.029    36.017  3.4044  44.721  2.6863  -8.704441      4.336597 
1 1 1 5   -27 28 o 7.4564  2.4811  -18.8828  12.858    -12.2242  17.175    -27.3725  19.394    7.7450  3.5699  7.1677  3.4467  0.5772257      4.962217 
1 1 1 5   -27 29 o 63.446  3.0464  554.502   51.771    554.502   51.771    0.0000    0.0000    63.446  3.0464  ?       ?       ?              ?        
1 1 1 5   -27 30 o 14.290  4.8219  28.428    21.893    28.428    21.893    0.0000    0.0000    14.290  4.8219  ?       ?       ?              ?        
1 1 1 5   -27 31 o 34.621  4.8033  177.037   43.342    177.037   43.342    0.0000    0.0000    34.621  4.8033  ?       ?       ?              ?        
1 1 1 5   -27 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -27 33 o 18.824  4.7044  54.435    23.654    0.0000    0.0000    54.435    23.654    ?       ?       18.824  4.7044  ?              ?        
1 1 1 5   -27 34 o 30.846  3.5279  150.203   24.723    137.962   46.464    155.037   29.199    28.824  6.2022  32.868  3.3641  -4.043976      7.055797 
1 1 1 5   -27 35 o 41.667  2.3441  250.528   25.856    234.796   37.118    265.358   36.038    40.243  3.4777  43.091  3.1441  -2.848515      4.688265 
1 1 1 5   -27 36 o 15.797  3.2185  35.914    16.996    69.002    24.570    5.5561    23.535    20.912  4.5184  10.682  4.5845  10.23020       6.436917 
1 1 1 5   -27 37 o 16.127  3.5076  42.912    17.204    56.080    24.405    29.904    24.257    18.390  4.8756  13.864  5.0441  4.525326       7.015293 
1 1 1 5   -27 38 o 17.431  3.0954  49.479    18.235    3.0318    26.432    91.656    25.188    10.639  4.7053  24.223  4.0234  -13.58371      6.190887 
1 1 1 5   -27 39 o 18.866  3.5692  62.628    18.960    79.345    26.816    45.917    26.811    21.726  4.7413  16.006  5.3362  5.720066       7.138307 
1 1 1 5   -27 40 o 11.710  3.4593  15.556    18.513    5.5123    26.892    24.604    25.524    10.716  4.7423  12.705  5.0376  -1.988770      6.918617 
1 1 1 5   -27 41 f 11.671  3.4918  16.106    18.924    20.554    26.322    11.348    27.225    12.129  5.0035  11.214  4.8719  0.9151440      6.983567 
1 1 1 5   -27 42 o 8.8391  2.9439  -14.9173  18.423    -2.1240   24.864    -30.4926  27.434    9.5393  4.3590  8.1389  3.9579  1.400440       5.887757 
1 1 1 5   -27 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -27 44 o 11.911  3.4399  17.761    20.433    51.114    28.150    -19.3820  29.706    15.112  5.4435  8.7100  4.2071  6.401470       6.879772 
1 1 1 5   -26 0  o 99.170  2.4416  1336.16   64.841    1377.67   92.434    1295.95   90.981    100.697 3.4271  97.644  3.4787  3.053230       4.883261 
1 1 1 5   -26 1  o 108.396 2.5578  1598.29   74.233    1563.85   105.610   1631.91   104.365   107.214 3.6776  109.578 3.5558  -2.363823      5.115530 
1 1 1 5   -26 2  o 30.848  2.0371  130.036   16.466    152.179   23.600    109.033   22.984    33.476  2.6538  28.220  3.0913  5.255426       4.074136 
1 1 1 5   -26 3  o 77.256  2.1474  807.605   44.409    786.488   63.334    828.029   62.286    76.246  3.1012  78.266  2.9712  -2.020073      4.294816 
1 1 1 5   -26 4  o 23.744  2.1564  77.805    13.171    94.049    18.890    62.435    18.375    26.264  2.7250  21.223  3.3430  5.040478       4.312859 
1 1 1 5   -26 5  o 25.262  2.1379  87.374    14.155    93.611    20.275    81.443    19.772    26.168  2.9439  24.357  3.1010  1.811354       4.275835 
1 1 1 5   -26 6  o 44.651  1.8950  269.888   22.546    264.044   32.198    275.509   31.580    44.166  2.7353  45.137  2.6234  -0.9710236     3.789992 
1 1 1 5   -26 7  o 66.054  2.0125  588.569   35.587    614.421   50.636    563.337   50.025    67.494  2.8009  64.613  2.8905  2.881508       4.024975 
1 1 1 5   -26 8  o 105.612 2.4835  1509.86   70.240    1551.83   99.926    1468.88   98.752    107.072 3.4843  104.153 3.5398  2.918808       4.966975 
1 1 1 5   -26 9  o 43.382  1.9497  254.746   22.530    261.991   31.892    247.527   31.834    44.006  2.7190  42.757  2.7950  1.249008       3.899408 
1 1 1 5   -26 10 o 18.660  2.5952  49.911    12.525    73.377    17.950    27.642    17.486    23.135  2.9649  14.184  4.2601  8.951004       5.190349 
1 1 1 5   -26 11 o 63.528  1.9969  544.169   33.977    534.889   47.850    553.605   48.253    62.980  2.8366  64.076  2.8115  -1.096241      3.993828 
1 1 1 5   -26 12 o 106.008 2.4620  1520.94   69.901    1497.10   98.744    1544.88   98.967    105.168 3.5054  106.848 3.4581  -1.680229      4.924029 
1 1 1 5   -26 13 o 88.068  2.2514  1048.24   53.096    1070.47   74.975    1025.87   75.202    89.014  3.1446  87.121  3.2227  1.892845       4.502705 
1 1 1 5   -26 14 o 55.206  1.9394  411.607   28.617    416.879   40.078    406.122   40.874    55.609  2.6908  54.803  2.7938  0.8057938      3.878874 
1 1 1 5   -26 15 o 90.323  2.2499  1103.25   54.420    1118.96   76.576    1087.21   77.353    90.983  3.1423  89.662  3.2209  1.320953       4.499797 
1 1 1 5   -26 16 o 50.344  1.9405  343.523   26.022    365.560   36.299    320.225   37.323    52.071  2.6026  48.617  2.8790  3.454731       3.881022 
1 1 1 5   -26 17 o 73.055  2.0555  721.758   40.181    748.979   56.368    693.636   57.293    74.475  2.8258  71.636  2.9859  2.838722       4.111065 
1 1 1 5   -26 18 o 41.841  1.9245  237.775   21.409    248.924   29.897    226.042   30.671    42.873  2.6160  40.809  2.8233  2.063728       3.848964 
1 1 1 5   -26 19 o 62.767  1.9631  532.584   32.933    488.134   46.178    578.597   46.982    60.082  2.8695  65.453  2.6799  -5.371002      3.926287 
1 1 1 5   -26 20 o 42.043  1.9390  240.444   21.638    263.414   30.645    217.607   30.557    44.085  2.6068  40.001  2.8710  4.083698       3.877957 
1 1 1 5   -26 21 o 25.937  2.2191  93.196    14.956    81.404    21.391    104.474   20.919    24.242  3.3869  27.632  2.8683  -3.389637      4.438242 
1 1 1 5   -26 22 o 58.122  1.9625  457.689   30.541    472.243   43.199    443.146   43.183    59.057  2.7310  57.188  2.8192  1.868801       3.925064 
1 1 1 5   -26 23 o 50.392  1.9513  345.230   26.217    362.937   37.318    327.974   36.839    51.687  2.7050  49.098  2.8130  2.588387       3.902530 
1 1 1 5   -26 24 o 30.296  2.1409  126.013   17.122    127.142   24.825    124.988   23.646    30.410  3.0907  30.181  2.9633  0.2294102      4.281786 
1 1 1 5   -26 25 o 59.787  1.9845  485.751   31.777    495.217   45.253    476.543   44.631    60.364  2.7989  59.210  2.8142  1.153816       3.969068 
1 1 1 5   -26 26 f 46.407  2.0018  294.918   24.695    278.000   35.491    310.797   34.384    45.069  2.9565  47.746  2.6997  -2.677818      4.003631 
1 1 1 5   -26 27 o 41.791  2.0140  238.555   22.345    264.033   32.390    215.417   30.867    43.950  2.7655  39.631  2.9285  4.319038       4.027982 
1 1 1 5   -26 28 o 19.739  2.9053  56.353    14.827    52.773    21.739    59.467    20.275    19.070  4.3521  20.409  3.8501  -1.339312      5.810695 
1 1 1 5   -26 29 o 15.936  3.3959  37.024    16.483    48.972    21.767    20.963    25.236    18.301  4.4773  13.572  5.1071  4.729382       6.791812 
1 1 1 5   -26 30 o 65.452  3.0269  588.938   53.064    588.938   53.064    0.0000    0.0000    65.452  3.0269  ?       ?       ?              ?        
1 1 1 5   -26 31 o 5.1600  2.5807  -40.1642  14.905    -40.1642  14.905    0.0000    0.0000    5.1600  2.5807  ?       ?       ?              ?        
1 1 1 5   -26 32 o 15.056  5.3538  30.927    27.147    30.927    27.147    0.0000    0.0000    15.056  5.3538  ?       ?       ?              ?        
1 1 1 5   -26 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -26 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -26 35 o 24.225  3.9940  105.055   23.820    69.743    47.161    117.149   27.599    20.104  7.0661  28.346  3.7253  -8.241619      7.987994 
1 1 1 5   -26 36 o 34.263  2.6346  174.051   23.360    147.647   33.852    198.055   32.275    31.405  4.1240  37.120  3.2799  -5.715235      5.269299 
1 1 1 5   -26 37 o 26.467  3.0840  109.766   20.489    77.260    28.837    142.910   29.118    21.790  5.0409  31.143  3.5543  -9.353077      6.168009 
1 1 1 5   -26 38 o 16.984  3.7073  48.697    18.841    38.561    26.224    59.510    27.086    15.256  5.2744  18.712  5.2113  -3.455859      7.414639 
1 1 1 5   -26 39 o 48.043  2.5260  347.114   32.245    342.926   46.323    351.052   44.912    47.634  3.6586  48.452  3.4839  -0.8180618     5.052029 
1 1 1 5   -26 40 o 33.760  2.8507  179.285   25.228    188.778   35.769    169.888   35.587    34.806  3.9041  32.714  4.1550  2.091209       5.701404 
1 1 1 5   -26 41 o 18.139  3.8479  61.216    20.742    46.086    28.923    77.237    29.762    15.698  5.5321  20.579  5.3498  -4.881201      7.695759 
1 1 1 5   -26 42 o 14.899  3.7676  39.909    20.149    58.150    28.598    21.928    28.393    17.401  5.4895  12.396  5.1619  5.005060       7.535282 
1 1 1 5   -26 43 o 13.345  3.7796  31.744    20.836    39.716    28.874    23.082    30.097    14.315  5.4450  12.375  5.2435  1.940268       7.559258 
1 1 1 5   -26 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -26 45 o 8.4782  2.8406  -21.4411  18.701    10.956    25.358    -60.0707  27.690    10.214  4.5575  6.7428  3.3919  3.470776       5.681167 
1 1 1 5   -25 0  o 17.488  2.4338  42.800    10.987    48.510    15.766    37.408    15.320    18.674  3.2714  16.302  3.6043  2.371828       4.867551 
1 1 1 5   -25 1  o 70.574  2.0602  671.784   38.939    683.403   55.622    660.617   54.530    71.172  2.9177  69.977  2.9093  1.195099       4.120349 
1 1 1 5   -25 2  o 86.412  2.2612  1008.48   52.325    997.752   74.503    1018.92   73.506    85.950  3.2362  86.874  3.1589  -0.9244385     4.522405 
1 1 1 5   -25 3  f 46.655  1.9191  294.065   23.875    301.668   33.988    286.659   33.544    47.255  2.6965  46.055  2.7314  1.199558       3.838185 
1 1 1 5   -25 4  o 72.414  2.0763  706.956   40.252    688.522   57.269    724.955   56.588    71.472  2.9915  73.356  2.8801  -1.883766      4.152594 
1 1 1 5   -25 5  o 34.454  1.9500  160.785   17.841    165.733   25.410    155.973   25.056    34.984  2.7334  33.925  2.7819  1.058983       3.900037 
1 1 1 5   -25 6  o 103.932 2.4608  1458.34   68.494    1445.88   97.447    1470.51   96.293    103.485 3.5156  104.380 3.4442  -0.8945313     4.921610 
1 1 1 5   -25 7  o 99.019  2.3821  1322.39   63.163    1362.93   89.927    1282.92   88.738    100.523 3.3399  97.516  3.3974  3.007362       4.764163 
1 1 1 5   -25 8  o 17.315  3.2983  41.099    14.931    44.363    26.255    39.538    18.152    17.865  5.1830  16.765  4.0807  1.100105       6.596655 
1 1 1 5   -25 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 17 f 58.109  1.9452  455.110   30.257    469.557   42.552    440.335   43.032    59.050  2.6904  57.169  2.8102  1.881233       3.890459 
1 1 1 5   -25 18 o 81.628  2.1241  899.193   46.426    916.934   65.294    881.054   66.025    82.451  2.9565  80.804  3.0506  1.647743       4.248221 
1 1 1 5   -25 19 o 22.326  2.4440  69.818    13.859    53.238    19.511    86.705    19.691    19.477  3.8761  25.175  2.9778  -5.697689      4.887923 
1 1 1 5   -25 20 o 36.397  1.9441  179.730   18.807    174.972   26.610    184.477   26.583    35.907  2.7887  36.888  2.7095  -0.9813728     3.888203 
1 1 1 5   -25 21 o 56.276  1.9305  427.494   29.091    439.233   41.184    415.805   41.097    57.052  2.6951  55.499  2.7646  1.553375       3.860916 
1 1 1 5   -25 22 f 101.227 2.4006  1390.54   65.089    1393.43   92.181    1387.66   91.919    101.331 3.3963  101.122 3.3937  0.2089386      4.801251 
1 1 1 5   -25 23 o 73.026  2.0728  722.242   40.529    703.348   57.461    740.946   57.174    72.063  2.9770  73.989  2.8850  -1.926201      4.145521 
1 1 1 5   -25 24 o 62.935  1.9845  536.196   33.447    545.142   47.843    527.645   46.777    63.446  2.8153  62.424  2.7977  1.022198       3.969002 
1 1 1 5   -25 25 o 29.708  2.1694  121.429   16.965    115.694   24.470    126.738   23.541    28.991  3.2048  30.425  2.9248  -1.433468      4.338833 
1 1 1 5   -25 26 o 51.932  1.9430  366.360   26.904    389.511   38.819    344.961   37.321    53.522  2.7168  50.342  2.7785  3.179516       3.885988 
1 1 1 5   -25 27 o 50.449  1.9871  346.408   26.720    365.999   38.686    328.537   36.949    51.818  2.7977  49.079  2.8226  2.739079       3.974151 
1 1 1 5   -25 28 o 28.830  2.2411  114.699   16.997    119.096   24.834    110.823   23.314    29.342  3.2123  28.317  3.1259  1.025173       4.482219 
1 1 1 5   -25 29 o 9.2502  2.7640  1.5501    11.811    4.3105    16.847    -1.1180   16.564    9.6600  3.9955  8.8404  3.8204  0.8196192      5.528023 
1 1 1 5   -25 30 o 18.330  3.0159  48.809    14.548    44.575    20.524    53.083    20.624    17.496  4.3876  19.164  4.1391  -1.667923      6.031806 
1 1 1 5   -25 31 o 14.131  4.7107  27.416    20.894    27.416    20.894    0.0000    0.0000    14.131  4.7107  ?       ?       ?              ?        
1 1 1 5   -25 32 o 15.436  4.8309  34.396    22.194    34.396    22.194    0.0000    0.0000    15.436  4.8309  ?       ?       ?              ?        
1 1 1 5   -25 33 o 23.752  5.2047  85.344    32.198    85.344    32.198    0.0000    0.0000    23.752  5.2047  ?       ?       ?              ?        
1 1 1 5   -25 34 f 10.005  4.2786  2.0134    20.367    0.0000    0.0000    2.0134    20.367    ?       ?       10.005  4.2786  ?              ?        
1 1 1 5   -25 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -25 36 o 13.467  3.4239  24.082    16.423    11.779    23.743    35.370    22.742    11.690  4.7790  15.243  4.9046  -3.552754      6.847898 
1 1 1 5   -25 37 o 19.373  3.6103  60.427    18.997    59.857    26.740    61.008    26.995    19.284  5.0991  19.462  5.1123  -0.1787624     7.220533 
1 1 1 5   -25 38 o 16.128  3.7164  42.608    18.444    40.866    26.289    44.297    25.884    15.839  5.2842  16.418  5.2272  -0.5786390     7.432747 
1 1 1 5   -25 39 o 15.015  3.5196  34.825    18.523    57.728    25.707    10.092    26.715    18.525  5.0446  11.505  4.9094  7.020964       7.039235 
1 1 1 5   -25 40 o 14.535  3.7396  35.334    18.866    32.517    26.277    38.332    27.104    14.102  5.2300  14.967  5.3466  -0.8654318     7.479239 
1 1 1 5   -25 41 o 9.9663  3.1496  0.4200    17.154    -3.0437   23.369    4.4670    25.260    9.4663  4.2865  10.466  4.6158  -0.9999933     6.299161 
1 1 1 5   -25 42 o 17.601  4.0454  59.697    22.119    48.672    30.597    71.765    32.013    15.942  5.6823  19.261  5.7595  -3.318692      8.090764 
1 1 1 5   -25 43 o 14.332  3.8336  37.932    20.351    44.067    28.467    31.520    29.105    15.175  5.4730  13.489  5.3697  1.685518       7.667286 
1 1 1 5   -25 44 o 12.151  3.6271  22.065    20.327    28.107    29.076    16.288    28.430    12.789  5.2653  11.513  4.9902  1.275936       7.254286 
1 1 1 5   -25 45 o 17.287  5.9261  69.353    33.073    0.0000    0.0000    69.353    33.073    ?       ?       17.287  5.9261  ?              ?        
1 1 1 5   -25 46 o 9.8395  3.2355  3.8348    20.582    1.3699    28.284    6.6095    30.008    9.5837  4.4730  10.095  4.6761  -0.5116262     6.471035 
1 1 1 5   -24 0  o 92.368  2.3371  1150.98   57.814    1142.53   82.263    1159.22   81.269    92.026  3.3374  92.709  3.2728  -0.6827927     4.674296 
1 1 1 5   -24 1  o 202.297 4.0377  5589.58   218.776   5644.27   310.304   5535.52   308.496   203.289 5.6988  201.305 5.7214  1.983673       8.075356 
1 1 1 5   -24 2  o 105.365 2.4829  1497.07   70.066    1507.24   99.820    1487.21   98.371    105.714 3.5253  105.015 3.4973  0.6988983      4.965744 
1 1 1 5   -24 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -24 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -24 5  o 120.897 3.4380  2049.66   103.482   2190.45   127.939   1783.28   175.981   127.457 3.7476  114.337 5.7649  13.11971       6.875906 
1 1 1 5   -24 6  o 91.922  2.2936  1136.92   56.455    1175.56   80.455    1099.43   79.238    93.464  3.2138  90.379  3.2732  3.085007       4.587214 
1 1 1 5   -24 7  o 127.584 2.7822  2195.22   95.060    2249.29   135.048   2142.13   133.831   129.148 3.9040  126.020 3.9649  3.127579       5.564307 
1 1 1 5   -24 8  f 114.813 2.6060  1776.37   80.131    1750.13   113.580   1802.37   113.065   113.962 3.7209  115.664 3.6496  -1.702080      5.211985 
1 1 1 5   -24 9  o 27.512  2.1991  103.125   15.913    105.641   22.404    100.562   22.607    27.864  3.0518  27.160  3.1670  0.7034283      4.398162 
1 1 1 5   -24 10 o 129.568 2.8090  2264.26   97.473    2301.87   137.815   2226.61   137.880   130.652 3.9381  128.483 4.0065  2.168991       5.617916 
1 1 1 5   -24 11 o 58.396  1.9753  459.828   30.773    484.705   43.011    433.741   44.046    60.064  2.6735  56.728  2.9086  3.335629       3.950608 
1 1 1 5   -24 12 o 97.592  2.3266  1282.97   60.752    1345.34   85.663    1219.86   86.173    99.994  3.1984  95.191  3.3798  4.802979       4.653224 
1 1 1 5   -24 13 o 131.104 2.8007  2319.10   98.338    2351.91   138.777   2286.02   139.366   132.044 3.9238  130.164 3.9974  1.880386       5.601392 
1 1 1 5   -24 14 o 69.950  2.0170  657.627   37.783    645.440   52.794    670.422   54.096    69.286  2.8448  70.613  2.8602  -1.326660      4.034016 
1 1 1 5   -24 15 o 111.913 2.5155  1687.92   75.398    1659.74   106.096   1716.66   107.170   110.967 3.5696  112.859 3.5453  -1.891731      5.030972 
1 1 1 5   -24 16 o 118.481 2.5876  1893.28   82.115    1869.12   115.618   1917.87   116.646   117.717 3.6669  119.246 3.6521  -1.528587      5.175277 
1 1 1 5   -24 17 o 49.252  1.9139  327.019   25.137    312.770   35.157    341.922   35.956    48.147  2.7375  50.356  2.6754  -2.208778      3.827733 
1 1 1 5   -24 18 o 44.853  1.9266  272.392   22.962    292.669   32.182    251.366   32.772    46.582  2.5896  43.124  2.8533  3.457554       3.853260 
1 1 1 5   -24 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -24 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -24 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -24 22 o 50.001  1.9160  338.039   25.558    333.170   36.406    342.772   35.888    49.638  2.7489  50.364  2.6699  -0.7258759     3.832072 
1 1 1 5   -24 23 o 27.361  2.1897  103.478   15.541    87.317    22.269    118.822   21.699    25.174  3.3887  29.548  2.7743  -4.373747      4.379473 
1 1 1 5   -24 24 o 58.914  1.9408  468.531   30.619    478.180   43.870    459.367   42.755    59.504  2.7526  58.324  2.7369  1.179501       3.881615 
1 1 1 5   -24 25 o 31.896  2.0741  139.117   17.472    134.275   25.355    143.496   24.111    31.336  3.0599  32.457  2.8009  -1.120216      4.148220 
1 1 1 5   -24 26 f 50.559  1.9637  346.410   26.463    364.658   38.443    329.974   36.483    51.825  2.7796  49.293  2.7745  2.532299       3.927344 
1 1 1 5   -24 27 o 27.246  2.3671  104.710   16.459    83.580    23.954    123.606   22.652    24.436  3.7820  30.056  2.8478  -5.619576      4.734256 
1 1 1 5   -24 28 o 19.992  2.7459  56.487    14.155    61.915    20.728    51.744    19.377    20.919  3.8408  19.065  3.9254  1.854572       5.491894 
1 1 1 5   -24 29 o 11.517  2.8633  11.510    12.529    29.828    17.812    -6.4298   17.627    14.522  4.2852  8.5123  3.7990  6.009683       5.726657 
1 1 1 5   -24 30 o 9.9631  2.8085  3.1604    12.426    17.542    17.140    -12.7762  18.042    11.956  4.2538  7.9701  3.6682  3.986052       5.616961 
1 1 1 5   -24 31 o 45.912  2.1135  290.216   25.777    269.178   36.706    310.685   36.206    44.209  3.1199  47.615  2.8520  -3.406242      4.227028 
1 1 1 5   -24 32 o 50.540  3.0345  351.774   40.887    351.774   40.887    0.0000    0.0000    50.540  3.0345  ?       ?       ?              ?        
1 1 1 5   -24 33 o 25.918  3.8009  95.617    25.602    95.617    25.602    0.0000    0.0000    25.918  3.8009  ?       ?       ?              ?        
1 1 1 5   -24 34 o 28.796  4.9702  123.098   36.949    123.098   36.949    0.0000    0.0000    28.796  4.9702  ?       ?       ?              ?        
1 1 1 5   -24 35 f 25.563  4.0311  94.985    26.686    0.0000    0.0000    94.985    26.686    ?       ?       25.563  4.0311  ?              ?        
1 1 1 5   -24 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -24 37 o 34.107  2.6648  168.585   23.719    197.386   34.619    143.102   32.564    37.026  3.5336  31.187  3.9897  5.839365       5.329520 
1 1 1 5   -24 38 o 12.387  3.4683  17.163    17.313    23.784    24.066    10.059    24.926    13.245  4.9866  11.530  4.8219  1.714267       6.936672 
1 1 1 5   -24 39 o 21.928  3.5595  78.493    20.483    72.783    28.693    84.426    29.248    21.004  5.1417  22.852  4.9237  -1.848536      7.119043 
1 1 1 5   -24 40 o 27.727  3.2297  122.830   23.150    123.985   32.845    121.689   32.636    27.868  4.5579  27.587  4.5772  0.2808132      6.459486 
1 1 1 5   -24 41 o 13.257  3.4775  24.752    17.991    44.128    25.057    4.1333    25.848    15.911  5.1512  10.604  4.6731  5.307830       6.955051 
1 1 1 5   -24 42 o 9.4244  3.0431  -4.9702   17.129    -1.9891   23.595    -8.2921   24.907    9.5766  4.3244  9.2722  4.2826  0.3044415      6.086160 
1 1 1 5   -24 43 o 31.757  3.2088  168.073   26.517    170.061   37.755    166.138   37.250    31.939  4.5412  31.575  4.5347  0.3646030      6.417595 
1 1 1 5   -24 44 o 26.410  3.8300  131.118   26.202    156.631   36.672    104.510   37.450    30.154  4.6930  22.666  6.0540  7.488062       7.659971 
1 1 1 5   -24 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -24 46 o 9.7934  3.1912  -1.2402   20.366    16.328    27.059    -24.2011  30.934    10.946  4.8039  8.6407  4.2021  2.305456       6.382434 
1 1 1 5   -23 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -23 1  o 113.133 2.5706  1723.77   77.893    1737.62   110.824   1710.24   109.503   113.581 3.6428  112.685 3.6280  0.8957062      5.141277 
1 1 1 5   -23 2  o 91.846  2.2919  1134.36   56.360    1178.69   80.276    1091.27   79.145    93.620  3.2013  90.072  3.2805  3.548355       4.583717 
1 1 1 5   -23 3  o 62.567  1.9780  525.750   33.141    541.906   47.179    510.013   46.565    63.518  2.7731  61.617  2.8214  1.900612       3.956087 
1 1 1 5   -23 4  o 63.766  1.9892  546.145   33.971    544.184   48.300    548.065   47.790    63.652  2.8330  63.881  2.7930  -0.2292137     3.978322 
1 1 1 5   -23 5  o 90.480  2.2500  1100.23   54.503    1145.59   77.499    1055.84   76.666    92.330  3.1337  88.630  3.2295  3.700096       4.499966 
1 1 1 5   -23 6  o 95.401  2.3211  1223.23   59.305    1248.69   84.253    1198.22   83.491    96.387  3.2634  94.415  3.3015  1.972214       4.642180 
1 1 1 5   -23 7  o 37.499  1.9419  189.792   19.368    189.761   27.287    189.824   27.494    37.497  2.7358  37.501  2.7566  -0.4161835E-02 3.883707 
1 1 1 5   -23 8  o 76.229  2.0968  780.447   42.811    784.416   60.508    776.469   60.580    76.424  2.9559  76.034  2.9746  0.3894272      4.193542 
1 1 1 5   -23 9  o 74.940  2.0884  754.576   41.864    706.060   58.934    803.991   59.478    72.501  3.0348  77.378  2.8698  -4.876900      4.176812 
1 1 1 5   -23 10 o 35.461  2.0062  170.396   18.828    184.417   26.462    156.019   26.796    36.967  2.6909  33.954  2.9764  3.013603       4.012483 
1 1 1 5   -23 11 o 55.419  1.9225  412.376   28.526    414.627   39.842    410.009   40.862    55.576  2.6765  55.262  2.7606  0.3145256      3.845074 
1 1 1 5   -23 12 o 60.570  1.9406  492.583   31.473    492.776   43.967    492.379   45.073    60.584  2.7095  60.556  2.7789  0.2826309E-01  3.881160 
1 1 1 5   -23 13 o 39.234  1.9713  208.111   20.536    215.386   28.480    200.231   29.639    39.965  2.6761  38.503  2.8952  1.461853       3.942511 
1 1 1 5   -23 14 o 105.093 2.4135  1485.36   67.933    1487.85   95.587    1482.82   96.564    105.185 3.3928  105.002 3.4334  0.1832352      4.826952 
1 1 1 5   -23 15 o 116.836 2.5511  1837.37   79.822    1864.21   112.544   1810.20   113.230   117.700 3.5699  115.971 3.6452  1.729309       5.102128 
1 1 1 5   -23 16 o 77.777  2.0535  812.928   42.774    815.883   60.054    809.885   60.941    77.923  2.8773  77.632  2.9308  0.2917633      4.107079 
1 1 1 5   -23 17 o 150.149 3.0800  3043.97   123.861   3072.97   174.866   3014.77   175.468   150.875 4.3271  149.424 4.3842  1.451309       6.159956 
1 1 1 5   -23 18 o 70.402  1.9836  666.346   37.396    675.864   52.587    656.609   53.191    70.914  2.7686  69.890  2.8414  1.024017       3.967189 
1 1 1 5   -23 19 o 49.909  1.9144  335.864   25.489    342.652   35.932    328.989   36.161    50.422  2.6701  49.395  2.7440  1.027454       3.828718 
1 1 1 5   -23 20 o 103.761 2.3863  1450.88   66.319    1439.01   93.769    1462.77   93.810    103.334 3.3879  104.188 3.3616  -0.8545074     4.772618 
1 1 1 5   -23 21 o 98.212  2.3411  1300.31   61.582    1316.60   87.323    1284.20   86.859    98.827  3.2989  97.598  3.3226  1.228249       4.682136 
1 1 1 5   -23 22 o 82.221  4.3926  919.636   96.386    919.636   96.386    0.0000    0.0000    82.221  4.3926  ?       ?       ?              ?        
1 1 1 5   -23 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -23 24 o 19.251  3.2305  47.968    15.703    68.943    27.816    38.156    19.025    22.054  4.8417  16.448  4.2781  5.606070       6.460953 
1 1 1 5   -23 25 o 80.965  2.1436  886.213   46.464    872.765   66.420    899.100   65.022    80.350  3.0862  81.580  2.9757  -1.229980      4.287107 
1 1 1 5   -23 26 o 10.026  2.8428  6.7255    11.638    3.3720    17.663    9.2983    15.471    9.8144  4.0778  10.237  3.9622  -0.4227190     5.685683 
1 1 1 5   -23 27 f 77.701  2.1644  819.212   45.003    795.384   64.413    841.936   62.902    76.571  3.1406  78.831  2.9791  -2.259460      4.328794 
1 1 1 5   -23 28 o 62.954  2.0350  536.522   34.283    568.561   49.556    507.110   47.479    64.759  2.8570  61.148  2.8989  3.610676       4.070096 
1 1 1 5   -23 29 o 21.438  2.6710  64.486    14.745    69.599    21.754    60.140    20.054    22.236  3.7884  20.640  3.7663  1.596130       5.341983 
1 1 1 5   -23 30 o 30.644  2.2440  129.501   18.133    129.676   26.226    129.340   25.100    30.644  3.2445  30.644  3.1008  0.3910065E-03  4.487946 
1 1 1 5   -23 31 o 41.520  2.1190  237.376   23.310    220.722   33.595    252.838   32.370    40.049  3.1574  42.990  2.8269  -2.941246      4.238008 
1 1 1 5   -23 32 o 30.917  2.7228  130.057   21.669    111.512   27.680    159.412   34.825    28.157  3.7644  33.677  3.9349  -5.520050      5.445547 
1 1 1 5   -23 33 o 32.394  3.5273  146.760   30.111    146.760   30.111    0.0000    0.0000    32.394  3.5273  ?       ?       ?              ?        
1 1 1 5   -23 34 o 39.390  3.3175  216.121   34.676    216.121   34.676    0.0000    0.0000    39.390  3.3175  ?       ?       ?              ?        
1 1 1 5   -23 35 o 14.912  6.1153  19.268    39.033    0.0000    0.0000    19.268    39.033    ?       ?       14.912  6.1153  ?              ?        
1 1 1 5   -23 36 o 21.437  4.6685  69.099    26.046    0.0000    0.0000    69.099    26.046    ?       ?       21.437  4.6685  ?              ?        
1 1 1 5   -23 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -23 38 o 17.708  3.5425  49.241    17.880    61.062    25.534    37.869    25.046    19.743  4.8610  15.673  5.1543  4.069944       7.084918 
1 1 1 5   -23 39 o 43.968  2.5183  281.154   29.369    299.178   42.538    264.736   40.597    45.349  3.5298  42.587  3.5926  2.762680       5.036519 
1 1 1 5   -23 40 o 11.494  3.3901  10.858    17.731    19.234    24.130    1.0297    26.139    12.392  4.9031  10.596  4.6829  1.796508       6.780124 
1 1 1 5   -23 41 o 12.857  3.4933  22.488    17.676    35.105    24.581    8.9770    25.437    14.577  5.1026  11.137  4.7724  3.440798       6.986613 
1 1 1 5   -23 42 o 24.563  3.6986  104.765   23.587    106.656   33.101    102.814   33.618    24.906  5.1326  24.221  5.3269  0.6847515      7.397262 
1 1 1 5   -23 43 o 12.663  3.6930  22.705    20.272    22.413    28.549    23.001    28.791    12.622  5.2093  12.705  5.2360  -0.8266258E-01 7.385937 
1 1 1 5   -23 44 o 7.3768  2.5634  -37.7714  17.467    -39.2891  23.738    -35.9794  25.794    7.0994  3.4991  7.6541  3.7471  -0.5546861     5.126814 
1 1 1 5   -23 45 o 15.847  3.7985  48.123    21.274    74.832    30.187    21.771    29.985    19.467  5.5300  12.226  5.2090  7.240572       7.596981 
1 1 1 5   -23 46 o 12.049  5.2876  22.595    32.779    0.0000    0.0000    22.595    32.779    ?       ?       12.049  5.2876  ?              ?        
1 1 1 5   -23 47 o 11.651  3.4803  19.235    20.977    48.683    29.076    -12.7277  30.292    14.317  5.4596  8.9860  4.3177  5.330900       6.960524 
1 1 1 5   -22 0  f 83.736  2.1937  942.006   49.175    984.852   69.971    900.192   69.124    85.621  3.0510  81.850  3.1530  3.771431       4.387496 
1 1 1 5   -22 1  o 135.415 2.9216  2468.61   105.963   2495.26   150.569   2442.46   149.150   136.139 4.1292  134.691 4.1342  1.449051       5.843104 
1 1 1 5   -22 2  o 103.568 2.4302  1441.34   67.410    1451.99   95.944    1430.96   94.732    103.944 3.4461  103.191 3.4274  0.7533340      4.860305 
1 1 1 5   -22 3  f 109.115 2.5485  1600.22   74.482    1607.16   105.863   1593.43   104.811   109.348 3.6145  108.882 3.5939  0.4658508      5.097078 
1 1 1 5   -22 4  f 61.252  1.9679  504.042   32.242    475.229   45.705    532.585   45.491    59.503  2.8677  63.000  2.6958  -3.496593      3.935890 
1 1 1 5   -22 5  o 156.149 3.2422  3283.49   135.597   3273.22   192.343   3293.65   191.188   155.902 4.6061  156.396 4.5640  -0.4936676     6.484319 
1 1 1 5   -22 6  o 131.953 2.8106  2341.48   99.331    2326.67   140.915   2356.10   140.038   131.536 3.9997  132.371 3.9497  -0.8359070     5.621167 
1 1 1 5   -22 7  o 170.890 3.4249  3935.95   156.632   4139.30   222.145   3734.91   220.882   175.305 4.7310  166.476 4.9536  8.829010       6.849871 
1 1 1 5   -22 8  o 98.392  2.3367  1300.64   61.541    1357.27   87.116    1244.23   86.950    100.536 3.2351  96.248  3.3728  4.288750       4.673481 
1 1 1 5   -22 9  o 174.179 3.4650  4088.21   161.645   4146.23   228.727   4030.30   228.473   175.421 4.8679  172.937 4.9324  2.483704       6.930040 
1 1 1 5   -22 10 o 73.090  2.0248  717.050   39.632    721.859   55.624    712.092   56.483    73.341  2.8316  72.840  2.8951  0.5012512      4.049615 
1 1 1 5   -22 11 o 101.605 2.3527  1386.51   64.025    1370.73   90.171    1402.56   90.924    101.021 3.3325  102.189 3.3219  -1.167313      4.705352 
1 1 1 5   -22 12 o 169.061 3.4041  3851.52   154.147   3832.30   217.639   3870.87   218.356   168.637 4.8183  169.485 4.8100  -0.8481750     6.808267 
1 1 1 5   -22 13 o 129.073 2.7312  2240.62   94.411    2272.39   133.161   2208.51   133.877   129.999 3.8243  128.148 3.9004  1.850418       5.462409 
1 1 1 5   -22 14 o 79.635  2.0511  850.996   43.738    824.007   61.228    879.117   62.500    78.345  2.9178  80.925  2.8834  -2.579720      4.102153 
1 1 1 5   -22 15 o 14.478  2.9735  28.735    12.233    30.985    17.358    26.515    17.241    14.960  4.1738  13.995  4.2362  0.9649420      5.946921 
1 1 1 5   -22 16 o 51.952  1.8573  362.582   25.797    355.559   36.074    369.932   36.906    51.404  2.6289  52.501  2.6245  -1.097038      3.714660 
1 1 1 5   -22 17 o 112.264 2.4891  1694.74   74.843    1676.01   105.604   1713.64   106.086   111.640 3.5316  112.889 3.5085  -1.249352      4.978110 
1 1 1 5   -22 18 o 69.898  1.9809  656.193   37.083    664.209   52.325    648.103   52.561    70.329  2.7777  69.467  2.8248  0.8611526      3.961761 
1 1 1 5   -22 19 o 62.660  1.9344  527.824   32.415    493.246   45.791    562.557   45.893    60.595  2.8213  64.725  2.6472  -4.129322      3.868782 
1 1 1 5   -22 20 o 118.438 2.6076  1889.41   82.719    1907.62   117.211   1871.33   116.754   119.009 3.6771  117.867 3.6982  1.141594       5.215131 
1 1 1 5   -22 21 o 66.859  1.9754  600.638   35.361    626.021   50.494    576.210   49.535    68.247  2.7623  65.470  2.8248  2.776726       3.950886 
1 1 1 5   -22 22 o 67.524  1.9942  613.794   36.032    590.928   51.424    635.849   50.502    66.279  2.8967  68.768  2.7418  -2.488846      3.988496 
1 1 1 5   -22 23 o 45.612  1.9892  281.324   23.857    342.709   34.552    225.393   32.981    50.423  2.5668  40.801  3.0397  9.621876       3.978456 
1 1 1 5   -22 24 o 158.346 3.3024  3407.75   140.000   3539.52   198.754   3277.97   197.235   161.421 4.5969  155.272 4.7424  6.148880       6.604728 
1 1 1 5   -22 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -22 26 o 89.740  2.2854  1088.77   54.910    1086.14   78.776    1091.25   76.579    89.622  3.2816  89.858  3.1817  -0.2363205     4.570839 
1 1 1 5   -22 27 o 74.157  2.1236  743.763   42.156    733.849   60.416    753.170   58.851    73.661  3.0621  74.652  2.9432  -0.9912186     4.247255 
1 1 1 5   -22 28 o 44.951  2.0568  277.015   24.375    238.933   35.070    312.603   33.902    41.868  3.1504  48.034  2.6452  -6.166740      4.113668 
1 1 1 5   -22 29 o 32.863  2.2581  152.074   18.967    116.817   27.747    183.003   25.988    29.041  3.6475  36.684  2.6630  -7.642830      4.516176 
1 1 1 5   -22 30 o 49.948  2.0748  340.938   27.555    322.296   39.700    358.267   38.276    48.582  3.0666  51.313  2.7955  -2.730446      4.149529 
1 1 1 5   -22 31 o 39.920  2.1623  218.504   22.923    217.235   33.069    219.677   31.803    39.786  3.1284  40.053  2.9858  -0.2670860     4.324564 
1 1 1 5   -22 32 o 28.741  2.3954  114.897   18.058    112.923   26.082    116.714   25.028    28.468  3.4939  29.014  3.2780  -0.5459595     4.790850 
1 1 1 5   -22 33 o 40.121  3.2535  222.417   34.663    222.417   34.663    0.0000    0.0000    40.121  3.2535  ?       ?       ?              ?        
1 1 1 5   -22 34 o 22.932  4.4293  76.323    26.221    76.323    26.221    0.0000    0.0000    22.932  4.4293  ?       ?       ?              ?        
1 1 1 5   -22 35 o 31.080  4.9038  141.560   39.470    141.560   39.470    0.0000    0.0000    31.080  4.9038  ?       ?       ?              ?        
1 1 1 5   -22 36 o 14.504  4.9552  29.314    23.122    0.0000    0.0000    29.314    23.122    ?       ?       14.504  4.9552  ?              ?        
1 1 1 5   -22 37 o 9.3766  4.2384  -8.8104   22.731    0.0000    0.0000    -8.8104   22.731    ?       ?       9.3766  4.2384  ?              ?        
1 1 1 5   -22 38 o 19.655  7.3917  63.325    52.848    0.0000    0.0000    63.325    52.848    ?       ?       19.655  7.3917  ?              ?        
1 1 1 5   -22 39 o 10.418  2.9544  -1.8477   15.215    26.276    20.908    -33.5045  22.183    13.481  4.7068  7.3539  3.5722  6.127302       5.908846 
1 1 1 5   -22 40 o 48.585  2.5237  346.150   32.488    324.774   46.773    366.076   45.159    46.911  3.7540  50.259  3.3741  -3.348633      5.047471 
1 1 1 5   -22 41 o 11.143  3.3080  8.5355    16.863    -0.4344   22.688    19.607    25.206    9.8068  4.3472  12.478  4.9874  -2.671513      6.616084 
1 1 1 5   -22 42 o 25.747  3.4744  112.250   22.891    149.318   32.576    76.098    32.172    30.987  4.0196  20.506  5.6682  10.48135       6.948779 
1 1 1 5   -22 43 o 9.8770  3.1288  -0.0312   17.101    2.8615    23.284    -3.4194   25.199    10.012  4.4228  9.7416  4.4269  0.2708721      6.257646 
1 1 1 5   -22 44 o 13.509  3.5682  26.597    19.617    51.868    27.309    -0.3463   28.198    16.675  5.3755  10.344  4.6938  6.330957       7.136337 
1 1 1 5   -22 45 o 14.935  3.9700  43.298    21.785    50.026    30.314    36.111    31.329    15.858  5.6555  14.011  5.5731  1.846467       7.940097 
1 1 1 5   -22 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -22 47 o 7.3768  2.4502  -9.9065   12.583    -35.1983  23.576    0.1676    14.879    6.9993  3.4567  7.7543  3.4733  -0.7549958     4.900313 
1 1 1 5   -21 0  o 216.390 4.2134  6326.40   244.204   6367.13   346.144   6286.03   344.575   217.085 5.9530  215.695 5.9643  1.390488       8.426786 
1 1 1 5   -21 1  o 67.063  2.0142  603.547   36.174    599.178   51.532    607.792   50.792    66.822  2.8792  67.303  2.8175  -0.4813995     4.028409 
1 1 1 5   -21 2  o 130.856 2.8184  2301.43   98.769    2355.29   140.371   2248.61   139.000   132.376 3.9590  129.337 4.0124  3.038986       5.636739 
1 1 1 5   -21 3  o 115.920 2.6220  1805.01   81.405    1837.65   115.735   1773.05   114.523   116.959 3.6944  114.882 3.7218  2.076607       5.244073 
1 1 1 5   -21 4  o 59.719  1.9283  478.680   30.827    462.132   43.763    494.978   43.429    58.692  2.7838  60.746  2.6692  -2.054211      3.856693 
1 1 1 5   -21 5  o 155.632 3.2097  3259.53   133.755   3176.16   189.608   3342.12   188.710   153.640 4.6075  157.624 4.4697  -3.984818      6.419315 
1 1 1 5   -21 6  o 36.411  1.9036  178.776   18.431    175.123   25.913    182.516   26.220    36.031  2.7048  36.790  2.6792  -0.7592773     3.807116 
1 1 1 5   -21 7  o 74.499  2.0611  744.888   41.097    708.583   57.921    781.698   58.322    72.667  2.9758  76.331  2.8526  -3.663132      4.122235 
1 1 1 5   -21 8  o 227.819 4.4418  7012.16   271.041   6994.63   383.534   7029.65   383.085   227.531 6.2932  228.107 6.2700  -0.5762787     8.883560 
1 1 1 5   -21 9  o 95.847  2.2791  1233.17   58.505    1213.09   82.514    1253.47   82.965    95.061  3.2407  96.633  3.2054  -1.571884      4.558115 
1 1 1 5   -21 10 o 71.125  2.0021  678.729   38.133    678.536   53.366    678.930   54.508    71.116  2.8016  71.134  2.8608  -0.1789856E-01 4.004167 
1 1 1 5   -21 11 o 88.848  2.1752  1059.87   51.748    1079.11   72.695    1040.11   73.680    89.669  3.0267  88.028  3.1249  1.641319       4.350426 
1 1 1 5   -21 12 o 60.655  1.9021  493.188   30.890    481.085   42.927    506.184   44.485    59.885  2.6762  61.426  2.7038  -1.541218      3.804292 
1 1 1 5   -21 13 o 119.164 2.5824  1908.54   82.394    1957.52   116.056   1858.76   116.994   120.712 3.5895  117.615 3.7137  3.097160       5.164887 
1 1 1 5   -21 14 o 118.079 2.5503  1873.18   80.658    1857.34   113.682   1889.23   114.457   117.576 3.6098  118.582 3.6036  -1.005486      5.100633 
1 1 1 5   -21 15 o 150.349 3.0391  3041.89   122.372   3089.82   172.816   2993.68   173.306   151.544 4.2575  149.154 4.3380  2.389435       6.078200 
1 1 1 5   -21 16 o 89.030  2.1658  1064.07   51.628    1026.12   72.610    1102.87   73.424    87.422  3.1009  90.638  3.0244  -3.215935      4.331583 
1 1 1 5   -21 17 o 178.603 3.5175  4301.27   168.270   4310.33   237.782   4292.19   238.158   178.794 4.9652  178.412 4.9837  0.3812103      7.034945 
1 1 1 5   -21 18 o 101.400 2.3160  1381.53   62.881    1339.60   88.821    1423.66   89.034    99.853  3.3210  102.947 3.2289  -3.094383      4.631906 
1 1 1 5   -21 19 o 139.101 2.9358  2605.31   109.381   2584.98   154.795   2625.58   154.580   138.556 4.1710  139.647 4.1327  -1.090836      5.871688 
1 1 1 5   -21 20 o 60.956  1.9152  498.750   31.262    503.371   44.757    494.346   43.686    61.231  2.7290  60.682  2.6878  0.5491180      3.830346 
1 1 1 5   -21 21 o 21.751  2.5317  65.322    14.222    65.190    20.577    65.442    19.680    21.715  3.6685  21.788  3.4900  -0.7318497E-01 5.063463 
1 1 1 5   -21 22 o 75.199  2.0722  759.590   41.726    783.128   59.813    737.274   58.239    76.334  2.9254  74.064  2.9357  2.269394       4.144466 
1 1 1 5   -21 23 o 58.670  1.9481  461.793   30.583    489.077   44.297    436.941   42.277    60.323  2.7416  57.016  2.7683  3.307819       3.896134 
1 1 1 5   -21 24 o 123.816 2.7545  2070.84   91.312    2026.85   130.026   2113.65   128.262   122.501 3.9628  125.132 3.8268  -2.631180      5.508947 
1 1 1 5   -21 25 o 41.624  2.0392  234.361   22.542    233.869   32.985    234.792   30.879    41.568  2.9823  41.679  2.7820  -0.1105957     4.078485 
1 1 1 5   -21 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -21 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -21 28 o 72.374  2.1282  707.258   41.232    741.671   59.253    674.951   57.411    74.085  2.9860  70.664  3.0333  3.420853       4.256414 
1 1 1 5   -21 29 o 62.348  2.0694  525.518   34.541    540.556   49.812    511.590   47.940    63.203  2.9424  61.493  2.9106  1.709892       4.138774 
1 1 1 5   -21 30 o 43.742  2.0948  260.580   24.390    261.089   34.962    260.097   34.042    43.774  2.9999  43.709  2.9246  0.6512070E-01  4.189659 
1 1 1 5   -21 31 o 32.058  2.2990  141.295   19.275    166.357   27.929    118.500   26.636    34.854  3.0215  29.261  3.4658  5.592621       4.598022 
1 1 1 5   -21 32 o 21.214  2.8946  64.134    15.850    65.177    22.597    63.124    22.239    21.388  4.0936  21.040  4.0935  0.3479309      5.789110 
1 1 1 5   -21 33 o 26.238  2.7684  99.701    18.218    72.757    26.249    124.742   25.305    22.450  4.5217  30.027  3.1954  -7.577496      5.536802 
1 1 1 5   -21 34 o 59.805  3.1212  491.694   49.824    491.694   49.824    0.0000    0.0000    59.805  3.1212  ?       ?       ?              ?        
1 1 1 5   -21 35 o 26.629  3.9046  100.793   27.022    100.793   27.022    0.0000    0.0000    26.629  3.9046  ?       ?       ?              ?        
1 1 1 5   -21 36 o 39.290  4.6272  223.281   47.762    223.281   47.762    0.0000    0.0000    39.290  4.6272  ?       ?       ?              ?        
1 1 1 5   -21 37 o 18.277  4.9862  50.570    25.088    0.0000    0.0000    50.570    25.088    ?       ?       18.277  4.9862  ?              ?        
1 1 1 5   -21 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -21 39 o 17.074  3.4282  43.970    18.221    70.240    25.752    17.634    25.784    21.404  4.6268  12.744  5.0600  8.660301       6.856426 
1 1 1 5   -21 40 o 11.330  3.2587  7.8659    16.432    24.521    23.660    -7.6533   22.838    13.335  4.9593  9.3256  4.2288  4.009668       6.517475 
1 1 1 5   -21 41 o 20.441  3.7080  69.712    20.472    76.243    28.852    63.089    29.053    21.554  5.0805  19.328  5.4023  2.225945       7.415996 
1 1 1 5   -21 42 o 9.6008  3.0666  -4.0441   16.696    -4.8294   22.431    -3.0682   25.003    9.2860  4.2027  9.9157  4.4669  -0.6296482     6.133183 
1 1 1 5   -21 43 o 14.873  3.3625  31.490    19.524    68.949    26.595    -12.2944  28.753    20.042  4.9770  9.7042  4.5228  10.33737       6.725016 
1 1 1 5   -21 44 o 15.831  3.9145  44.725    21.216    27.886    28.871    64.493    31.282    13.305  5.3307  18.357  5.7338  -5.051186      7.828974 
1 1 1 5   -21 45 o 23.564  3.9543  104.420   24.766    120.265   35.183    88.858    34.868    25.891  5.2530  21.237  5.9121  4.653883       7.908629 
1 1 1 5   -21 46 o 11.996  3.3643  22.200    14.978    24.678    28.842    21.286    17.526    12.473  5.1990  11.519  4.2714  0.9538364      6.728630 
1 1 1 5   -21 47 o 15.887  3.4471  52.164    16.564    39.250    31.792    56.975    19.407    13.640  5.5478  18.133  4.0928  -4.492847      6.894106 
1 1 1 5   -20 0  o 22.692  2.1103  70.301    12.507    69.385    17.915    71.172    17.469    22.536  3.0459  22.847  2.9216  -0.3109608     4.220544 
1 1 1 5   -20 1  o 30.056  1.9889  122.406   15.801    116.871   22.564    127.731   22.133    29.372  2.9061  30.740  2.7161  -1.367693      3.977785 
1 1 1 5   -20 2  o 102.142 2.3901  1400.29   65.373    1443.60   93.046    1358.07   91.868    103.704 3.3498  100.580 3.4101  3.123253       4.780116 
1 1 1 5   -20 3  o 74.700  2.0924  748.628   41.864    751.094   59.516    746.212   58.896    74.821  2.9698  74.579  2.9484  0.2425766      4.184804 
1 1 1 5   -20 4  f 50.634  1.8638  344.759   25.189    347.645   35.729    341.908   35.517    50.845  2.6326  50.422  2.6390  0.4228745      3.727565 
1 1 1 5   -20 5  o 137.080 2.8828  2525.29   105.842   2510.94   150.105   2539.48   149.265   136.690 4.0999  137.470 4.0538  -0.7800598     5.765603 
1 1 1 5   -20 6  o 132.001 2.8012  2341.33   99.030    2311.74   140.318   2370.70   139.782   131.167 3.9939  132.836 3.9287  -1.669098      5.602344 
1 1 1 5   -20 7  o 98.364  2.3255  1299.27   61.216    1365.51   86.751    1233.57   86.394    100.867 3.2110  95.861  3.3648  5.006821       4.651015 
1 1 1 5   -20 8  o 139.666 2.9305  2621.94   109.620   2588.25   154.968   2655.68   155.085   138.765 4.1694  140.567 4.1190  -1.802017      5.860909 
1 1 1 5   -20 9  o 132.146 2.7744  2346.42   98.195    2370.69   138.750   2322.07   138.988   132.833 3.8998  131.459 3.9473  1.374527       5.548805 
1 1 1 5   -20 10 o 202.014 3.9201  5502.07   212.091   5589.91   299.761   5414.02   300.124   203.641 5.4957  200.388 5.5917  3.252426       7.840228 
1 1 1 5   -20 11 o 73.875  1.9803  731.778   39.168    702.334   54.775    762.588   56.030    72.354  2.8264  75.396  2.7745  -3.042229      3.960588 
1 1 1 5   -20 12 o 143.565 2.9308  2770.81   112.697   2751.78   158.979   2790.03   159.779   143.070 4.1486  144.061 4.1408  -0.9917603     5.861505 
1 1 1 5   -20 13 o 28.632  2.0338  111.197   15.362    113.180   21.284    109.040   22.196    28.912  2.7827  28.352  2.9668  0.5603619      4.067610 
1 1 1 5   -20 14 o 45.818  1.8031  282.530   22.028    285.540   30.741    279.354   31.582    46.074  2.5003  45.562  2.5986  0.5113945      3.606187 
1 1 1 5   -20 15 o 89.382  2.1418  1072.50   51.266    1089.58   72.164    1055.10   72.842    90.103  2.9901  88.662  3.0673  1.441628       4.283628 
1 1 1 5   -20 16 o 129.083 2.7427  2239.86   94.819    2270.77   133.844   2208.71   134.346   129.982 3.8444  128.185 3.9129  1.796860       5.485442 
1 1 1 5   -20 17 o 157.509 3.1916  3339.42   134.647   3347.74   190.364   3331.09   190.475   157.707 4.5066  157.312 4.5205  0.3950653      6.383117 
1 1 1 5   -20 18 o 101.131 2.3319  1373.60   63.163    1363.98   89.454    1383.16   89.199    100.776 3.3140  101.485 3.2815  -0.7088318     4.663757 
1 1 1 5   -20 19 o 63.427  1.9164  539.702   32.539    565.691   46.419    514.593   45.625    64.929  2.6691  61.924  2.7508  3.005558       3.832860 
1 1 1 5   -20 20 o 10.864  2.8911  11.178    11.629    5.6558    17.018    16.016    15.929    10.064  4.0712  11.665  4.1061  -1.600741      5.782266 
1 1 1 5   -20 21 o 89.771  2.2021  1082.44   52.944    1087.33   75.553    1077.71   74.212    89.968  3.1353  89.573  3.0932  0.3952103      4.404298 
1 1 1 5   -20 22 o 78.426  2.1016  826.011   44.131    832.728   63.394    819.695   61.471    78.733  3.0061  78.119  2.9378  0.6131821      4.203256 
1 1 1 5   -20 23 o 43.146  2.0060  251.500   22.968    246.721   33.773    255.613   31.328    42.748  2.9680  43.544  2.6993  -0.7967834     4.011920 
1 1 1 5   -20 24 o 91.101  2.2736  1116.81   55.452    1105.99   79.444    1127.10   77.438    90.663  3.2714  91.539  3.1584  -0.8752747     4.547249 
1 1 1 5   -20 25 o 104.856 2.4720  1483.06   69.361    1427.32   98.918    1536.98   97.285    102.899 3.5890  106.814 3.4004  -3.915367      4.944059 
1 1 1 5   -20 26 o 42.568  2.1251  248.167   23.747    210.707   34.402    282.262   32.821    39.404  3.2896  45.732  2.6913  -6.328064      4.250213 
1 1 1 5   -20 27 o 61.968  2.0867  517.497   34.597    515.392   50.069    519.419   47.861    61.838  3.0229  62.098  2.8775  -0.2596130     4.173476 
1 1 1 5   -20 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -20 29 o 57.246  2.0740  443.860   31.692    427.593   45.472    459.224   44.193    56.168  3.0338  58.325  2.8289  -2.157394      4.148044 
1 1 1 5   -20 30 o 83.160  2.2884  938.215   50.952    921.616   72.681    954.256   71.449    82.419  3.2924  83.902  3.1793  -1.483299      4.576871 
1 1 1 5   -20 31 o 17.407  3.0587  43.348    14.276    36.951    20.265    49.650    20.114    16.137  4.5125  18.676  4.1305  -2.538631      6.117426 
1 1 1 5   -20 32 o 51.980  2.1144  368.303   29.272    395.319   41.959    342.686   40.857    53.864  2.9192  50.096  3.0596  3.767639       4.228774 
1 1 1 5   -20 33 o 9.1957  2.7263  -1.5878   11.818    -11.8796  15.865    11.244    17.715    7.4341  3.4281  10.957  4.2401  -3.523069      5.452559 
1 1 1 5   -20 34 o 41.680  2.2272  239.124   24.678    234.986   34.887    243.267   34.913    41.307  3.1775  42.053  3.1218  -0.7452621     4.454491 
1 1 1 5   -20 35 o 10.989  4.2831  11.233    18.177    11.233    18.177    0.0000    0.0000    10.989  4.2831  ?       ?       ?              ?        
1 1 1 5   -20 36 f 42.662  4.3545  259.371   49.061    259.371   49.061    0.0000    0.0000    42.662  4.3545  ?       ?       ?              ?        
1 1 1 5   -20 37 o 25.917  4.3483  108.090   29.037    117.265   36.013    91.043    49.090    28.121  4.9627  23.713  7.1415  4.407703       8.696517 
1 1 1 5   -20 38 o 32.526  3.6994  151.004   31.656    0.0000    0.0000    151.004   31.656    ?       ?       32.526  3.6994  ?              ?        
1 1 1 5   -20 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -20 40 o 18.641  3.6078  55.694    18.977    68.425    26.336    41.946    27.368    20.938  4.7986  16.344  5.3886  4.594131       7.215549 
1 1 1 5   -20 41 o 35.863  2.8492  192.505   26.580    161.928   36.882    225.548   38.341    32.588  4.3327  39.138  3.7014  -6.549110      5.698497 
1 1 1 5   -20 42 o 42.150  2.7803  268.875   31.009    265.747   43.063    272.243   44.689    41.962  3.8752  42.337  3.9878  -0.3746567     5.560557 
1 1 1 5   -20 43 o 16.942  3.9304  50.656    20.701    41.271    27.972    62.018    30.778    15.423  5.4399  18.461  5.6745  -3.037604      7.860859 
1 1 1 5   -20 44 o 35.375  2.5472  188.904   22.676    199.117   38.354    183.416   28.117    35.451  4.1157  35.299  3.0023  0.1520996      5.094437 
1 1 1 5   -20 45 o 10.766  3.1195  6.8280    13.271    31.643    25.524    -2.3670   15.537    13.629  5.1347  7.9030  3.5439  5.726042       6.238956 
1 1 1 5   -20 46 o 10.000  2.9349  10.046    13.609    -12.4590  25.968    18.567    15.979    8.9732  4.2194  11.028  4.0806  -2.054482      5.869832 
1 1 1 5   -20 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -20 48 o 12.244  3.3817  29.462    16.087    22.603    29.431    32.384    19.210    11.538  5.0381  12.951  4.5122  -1.413179      6.763306 
1 1 1 5   -19 0  o 176.240 3.5400  4180.05   167.094   4259.48   237.050   4101.60   235.569   177.910 4.9745  174.571 5.0380  3.339249       7.080059 
1 1 1 5   -19 1  o 102.806 2.4087  1418.50   66.322    1434.62   94.350    1402.76   93.247    103.383 3.4073  102.229 3.4054  1.154182       4.817305 
1 1 1 5   -19 2  o 148.852 3.0790  2978.07   122.735   3059.48   174.315   2898.03   172.842   150.874 4.3135  146.829 4.3949  4.044724       6.158038 
1 1 1 5   -19 3  o 145.337 3.0495  2838.93   118.710   2848.00   168.470   2829.99   167.298   145.567 4.3209  145.108 4.3044  0.4592590      6.099001 
1 1 1 5   -19 4  o 196.559 3.8670  5204.08   203.578   5156.95   288.397   5250.89   287.411   195.665 5.5029  197.453 5.4344  -1.788132      7.733974 
1 1 1 5   -19 5  o 82.395  2.1068  910.720   46.494    919.822   65.932    901.716   65.573    82.805  2.9727  81.985  2.9861  0.8196487      4.213500 
1 1 1 5   -19 6  o 96.342  2.2779  1245.51   58.781    1255.40   83.217    1235.66   83.040    96.724  3.2121  95.960  3.2308  0.7642593      4.555852 
1 1 1 5   -19 7  o 106.714 2.4280  1528.57   69.401    1528.97   98.120    1528.17   98.176    106.729 3.4323  106.700 3.4352  0.2819061E-01  4.856062 
1 1 1 5   -19 8  o 124.073 2.6500  2067.46   88.054    2108.75   124.471   2026.10   124.584   125.316 3.7083  122.829 3.7868  2.487419       5.300089 
1 1 1 5   -19 9  o 118.635 2.5605  1889.69   81.361    1886.66   114.821   1892.75   115.305   118.540 3.6163  118.730 3.6258  -0.1903000     5.120945 
1 1 1 5   -19 10 o 132.368 2.7670  2353.66   98.100    2355.53   138.401   2351.78   139.071   132.422 3.9020  132.314 3.9241  0.1075592      5.533928 
1 1 1 5   -19 11 o 55.711  1.7759  415.974   26.487    397.502   37.031    435.323   37.901    54.445  2.5393  56.978  2.4834  -2.532879      3.551850 
1 1 1 5   -19 12 o 139.211 2.8857  2604.27   107.601   2585.94   151.808   2622.79   152.535   138.718 4.0858  139.704 4.0764  -0.9860535     5.771489 
1 1 1 5   -19 13 o 120.249 2.5721  1941.99   82.841    1948.95   116.859   1934.95   117.454   120.468 3.6216  120.031 3.6533  0.4366302      5.144186 
1 1 1 5   -19 14 o 82.607  2.0352  915.638   45.025    924.688   63.416    906.438   63.938    83.020  2.8518  82.194  2.9042  0.8260040      4.070311 
1 1 1 5   -19 15 o 129.721 2.7287  2261.10   94.809    2249.93   133.852   2272.35   134.308   129.399 3.8619  130.043 3.8559  -0.6437378     5.457328 
1 1 1 5   -19 16 o 98.394  2.2783  1299.68   60.041    1307.58   84.878    1291.77   84.945    98.694  3.2108  98.094  3.2330  0.5998230      4.556501 
1 1 1 5   -19 17 o 140.696 2.9178  2662.12   109.931   2735.86   155.656   2588.73   155.276   142.648 4.0739  138.745 4.1783  3.902786       5.835666 
1 1 1 5   -19 18 o 93.717  2.2198  1178.96   55.718    1190.91   79.211    1167.26   78.389    94.186  3.1398  93.247  3.1386  0.9396515      4.439502 
1 1 1 5   -19 19 o 61.293  1.9152  503.183   31.354    558.514   45.321    452.389   43.423    64.523  2.6224  58.063  2.7921  6.459473       3.830497 
1 1 1 5   -19 20 o 146.671 3.0488  2895.67   119.744   2843.15   170.078   2947.29   168.620   145.342 4.3689  147.999 4.2536  -2.657150      6.097557 
1 1 1 5   -19 21 o 180.789 3.6143  4408.57   175.016   4442.62   248.483   4375.05   246.549   181.482 5.1118  180.097 5.1110  1.385086       7.228629 
1 1 1 5   -19 22 o 18.938  2.8906  50.602    14.162    45.705    21.295    54.485    18.963    18.065  4.4339  19.812  3.7098  -1.746742      5.781192 
1 1 1 5   -19 23 o 118.385 2.6091  1885.25   82.718    1884.03   118.080   1886.43   115.911   118.342 3.7252  118.428 3.6541  -0.8521271E-01 5.218206 
1 1 1 5   -19 24 o 116.889 2.6052  1838.26   81.553    1874.96   116.529   1803.04   114.174   118.032 3.6859  115.746 3.6827  2.285400       5.210436 
1 1 1 5   -19 25 o 94.934  2.3409  1212.11   59.513    1233.48   85.181    1191.73   83.182    95.749  3.3214  94.118  3.2997  1.631454       4.681808 
1 1 1 5   -19 26 o 72.657  2.1178  710.766   41.169    693.119   59.173    727.321   57.314    71.773  3.0780  73.541  2.9097  -1.767776      4.235631 
1 1 1 5   -19 27 o 32.837  2.3882  148.151   20.492    131.601   29.799    162.999   28.225    31.017  3.6572  34.658  3.0723  -3.640911      4.776412 
1 1 1 5   -19 28 o 10.199  3.0172  2.1637    13.957    -4.1684   20.825    7.3280    18.806    9.7023  4.2373  10.697  4.2964  -0.9942665     6.034380 
1 1 1 5   -19 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -19 30 o 26.712  2.4613  98.169    17.174    103.712   24.783    93.048    23.823    27.455  3.4459  25.969  3.5153  1.486670       4.922537 
1 1 1 5   -19 31 o 46.773  2.1193  298.464   26.304    273.338   37.610    322.522   36.803    44.794  3.1548  48.752  2.8306  -3.957684      4.238499 
1 1 1 5   -19 32 o 26.014  2.5031  94.078    16.952    88.820    24.174    99.166    23.778    25.249  3.6829  26.779  3.3911  -1.530483      5.006283 
1 1 1 5   -19 33 o 22.771  2.7482  73.896    15.960    57.788    22.550    90.063    22.592    20.081  4.3207  25.461  3.3974  -5.380451      5.496409 
1 1 1 5   -19 34 o 42.746  2.1972  250.807   24.982    245.237   35.175    256.475   35.486    42.257  3.1300  43.235  3.0845  -0.9777374     4.394455 
1 1 1 5   -19 35 o 15.105  4.6790  32.274    20.880    32.274    20.880    0.0000    0.0000    15.105  4.6790  ?       ?       ?              ?        
1 1 1 5   -19 36 o 21.803  4.5837  69.429    25.918    69.429    25.918    0.0000    0.0000    21.803  4.5837  ?       ?       ?              ?        
1 1 1 5   -19 37 f 13.616  5.0939  21.998    25.034    21.998    25.034    0.0000    0.0000    13.616  5.0939  ?       ?       ?              ?        
1 1 1 5   -19 38 o 42.484  3.5814  254.539   40.374    0.0000    0.0000    254.539   40.374    ?       ?       42.484  3.5814  ?              ?        
1 1 1 5   -19 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -19 40 f 22.588  3.4662  79.496    20.449    94.400    28.937    64.628    28.902    24.999  4.4864  20.176  5.2850  4.823368       6.932466 
1 1 1 5   -19 41 o 27.407  3.1971  115.134   22.555    101.096   31.400    130.098   32.419    25.453  4.7814  29.362  4.2454  -3.909094      6.394127 
1 1 1 5   -19 42 f 11.745  3.4022  11.219    17.535    -1.0061   23.824    25.671    25.903    10.024  4.4486  13.466  5.1487  -3.441409      6.804410 
1 1 1 5   -19 43 o 22.483  3.1611  84.102    17.476    70.972    29.453    91.237    21.711    20.224  5.3534  24.742  3.3633  -4.517853      6.322257 
1 1 1 5   -19 44 o 12.781  3.3189  24.970    14.096    25.203    26.375    24.877    16.677    13.010  5.1329  12.552  4.2087  0.4576979      6.637721 
1 1 1 5   -19 45 o 13.388  3.4565  28.125    15.195    36.344    27.377    24.466    18.267    14.382  5.3375  12.394  4.3934  1.988329       6.913070 
1 1 1 5   -19 46 o 10.801  3.1750  5.8183    14.412    33.029    26.586    -5.5050   17.150    13.703  5.2217  7.8987  3.6135  5.804088       6.350039 
1 1 1 5   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -19 48 o 18.061  3.6942  66.546    18.209    70.804    33.458    64.754    21.705    17.200  5.9569  18.922  4.3707  -1.722136      7.388400 
1 1 1 5   -18 0  o 78.873  2.1006  834.408   44.375    841.072   63.120    827.894   62.398    79.184  2.9760  78.562  2.9653  0.6223297      4.201172 
1 1 1 5   -18 1  o 47.229  1.8210  299.967   22.947    300.093   32.686    299.844   32.223    47.238  2.5933  47.221  2.5572  0.1688385E-01  3.642054 
1 1 1 5   -18 2  f 13.684  2.2922  26.358    8.5146    16.372    12.088    36.192    11.995    11.181  3.5735  16.187  2.8719  -5.006370      4.584476 
1 1 1 5   -18 3  o 39.671  1.7565  211.782   18.568    216.693   26.434    206.999   26.087    40.128  2.4714  39.214  2.4966  0.9133034      3.512985 
1 1 1 5   -18 4  o 45.379  1.7684  277.018   21.401    268.073   30.322    285.895   30.208    44.643  2.5464  46.115  2.4545  -1.471523      3.536737 
1 1 1 5   -18 5  o 187.517 3.7434  4731.52   187.997   4813.50   266.281   4650.04   265.459   189.143 5.2561  185.891 5.3315  3.251587       7.486716 
1 1 1 5   -18 6  o 221.567 5.1924  6604.60   291.884   6727.17   502.614   6542.23   358.538   222.797 8.4224  220.338 6.0752  2.459412       10.38481 
1 1 1 5   -18 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -18 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -18 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -18 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -18 11 o 89.652  3.0585  1083.19   73.126    1111.24   100.737   1051.95   106.319   90.951  4.1352  88.352  4.5077  2.598709       6.117067 
1 1 1 5   -18 12 o 78.181  1.9700  820.182   41.231    846.928   58.089    793.026   58.532    79.469  2.7290  76.894  2.8419  2.574890       3.940085 
1 1 1 5   -18 13 o 200.354 3.8999  5407.30   209.277   5452.19   295.741   5362.27   296.186   201.192 5.4880  199.515 5.5424  1.677246       7.799761 
1 1 1 5   -18 14 o 34.113  1.7788  157.255   16.087    144.267   22.841    170.039   22.661    32.693  2.6306  35.532  2.3950  -2.838341      3.557529 
1 1 1 5   -18 15 o 119.733 2.5777  1925.21   82.667    1930.78   116.821   1919.63   116.996   119.908 3.6373  119.560 3.6534  0.3479385      5.155347 
1 1 1 5   -18 16 o 126.748 2.6789  2158.09   90.946    2163.76   128.806   2152.45   128.429   126.914 3.7891  126.582 3.7880  0.3322067      5.357790 
1 1 1 5   -18 17 o 191.250 3.7476  4929.47   191.929   5067.06   272.017   4793.06   270.843   193.922 5.2370  188.578 5.3621  5.343750       7.495224 
1 1 1 5   -18 18 o 87.544  2.1685  1028.81   50.837    1017.26   72.348    1040.07   71.451    87.057  3.1026  88.032  3.0302  -0.9753571     4.336912 
1 1 1 5   -18 19 o 48.711  1.8434  319.224   23.938    318.604   34.651    319.789   33.107    48.660  2.6688  48.761  2.5437  -0.1010933     3.686852 
1 1 1 5   -18 20 o 103.578 2.4119  1441.81   66.874    1406.70   95.481    1475.61   93.692    102.334 3.4835  104.823 3.3370  -2.489792      4.823896 
1 1 1 5   -18 21 o 247.488 4.7453  8297.46   314.551   8407.83   445.985   8188.22   443.707   249.137 6.6833  245.839 6.7384  3.298203       9.490683 
1 1 1 5   -18 22 o 125.373 2.7262  2113.52   91.533    2111.49   130.655   2115.48   128.273   125.309 3.8927  125.437 3.8179  -0.1279373     5.452466 
1 1 1 5   -18 23 o 93.316  2.3032  1170.04   57.540    1159.85   82.473    1179.71   80.318    92.915  3.3139  93.717  3.1997  -0.8023376     4.606488 
1 1 1 5   -18 24 o 315.147 6.0390  13608.13  509.754   13532.34  721.661   13683.61  720.144   314.243 8.5739  316.051 8.5069  -1.807312      12.07808 
1 1 1 5   -18 25 o 160.690 3.3244  3485.37   143.078   3476.93   203.076   3493.70   201.617   160.490 4.7241  160.889 4.6785  -0.3987122     6.648768 
1 1 1 5   -18 26 o 92.590  2.3210  1153.06   57.497    1227.43   82.056    1081.33   80.591    95.532  3.2068  89.648  3.3563  5.883682       4.642008 
1 1 1 5   -18 27 o 97.306  2.4132  1275.66   62.879    1255.24   89.425    1295.64   88.432    96.528  3.4587  98.084  3.3661  -1.556145      4.826316 
1 1 1 5   -18 28 o 137.177 3.0198  2547.36   110.953   2540.09   157.307   2554.56   156.518   136.977 4.2876  137.378 4.2536  -0.4010162     6.039587 
1 1 1 5   -18 29 o 54.055  2.1098  395.066   30.413    391.494   43.552    398.467   42.489    53.807  3.0343  54.302  2.9321  -0.4957466     4.219501 
1 1 1 5   -18 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -18 31 o 58.539  2.1194  464.441   33.116    474.999   47.144    454.156   46.530    59.200  2.9827  57.877  3.0119  1.323620       4.238862 
1 1 1 5   -18 32 o 48.667  2.1235  322.464   27.491    299.293   38.803    345.814   38.953    46.877  3.1081  50.456  2.8944  -3.579872      4.247081 
1 1 1 5   -18 33 o 11.122  2.9801  10.526    12.906    21.076    17.849    -1.0317   18.682    12.794  4.3538  9.4498  4.0705  3.344232       5.960251 
1 1 1 5   -18 34 o 21.803  2.8694  67.779    16.111    72.698    22.469    62.574    23.113    22.699  3.8321  20.906  4.2719  1.792847       5.738871 
1 1 1 5   -18 35 o 20.355  3.0072  61.706    16.039    85.143    22.305    36.611    23.080    24.670  3.4716  16.040  4.9112  8.630211       6.014333 
1 1 1 5   -18 36 o 42.358  3.1945  247.650   35.977    247.650   35.977    0.0000    0.0000    42.358  3.1945  ?       ?       ?              ?        
1 1 1 5   -18 37 o 19.909  4.5150  58.170    23.522    58.170    23.522    0.0000    0.0000    19.909  4.5150  ?       ?       ?              ?        
1 1 1 5   -18 38 o 13.620  4.0048  11.670    21.161    8.5995    24.319    21.243    42.939    11.655  4.8089  15.586  6.4054  -3.930201      8.009679 
1 1 1 5   -18 39 o 13.143  5.0799  19.452    25.404    0.0000    0.0000    19.452    25.404    ?       ?       13.143  5.0799  ?              ?        
1 1 1 5   -18 40 o 47.494  6.9147  374.038   85.380    0.0000    0.0000    374.038   85.380    ?       ?       47.494  6.9147  ?              ?        
1 1 1 5   -18 41 o 24.393  2.8830  89.276    17.236    87.595    29.201    90.175    21.352    23.769  4.7529  25.017  3.2643  -1.248400      5.765912 
1 1 1 5   -18 42 o 11.630  3.0403  18.138    12.886    6.2134    22.354    24.073    15.770    10.589  4.5041  12.671  4.0850  -2.081970      6.080641 
1 1 1 5   -18 43 o 23.939  3.0281  88.310    18.022    96.084    30.227    84.022    22.449    24.305  4.8134  23.573  3.6753  0.7313824      6.056151 
1 1 1 5   -18 44 o 12.492  3.2548  23.813    13.998    16.963    26.260    26.532    16.544    12.046  4.9858  12.938  4.1854  -0.8919792     6.509624 
1 1 1 5   -18 45 o 12.943  2.9142  26.544    14.766    -15.6139  26.255    46.047    17.858    8.9915  4.2326  16.895  4.0069  -7.903759      5.828348 
1 1 1 5   -18 46 o 8.0258  2.5550  -4.2739   12.044    -35.8452  24.231    6.0857    13.880    7.3797  3.6168  8.6719  3.6100  -1.292251      5.110080 
1 1 1 5   -18 47 o 15.822  5.7093  51.505    30.983    51.505    30.983    0.0000    0.0000    15.822  5.7093  ?       ?       ?              ?        
1 1 1 5   -18 48 o 10.176  3.1211  11.317    15.161    7.2887    27.419    13.092    18.196    10.331  4.6637  10.021  4.1492  0.3098679      6.242276 
1 1 1 5   -17 0  o 102.091 2.3959  1398.64   65.503    1378.72   93.036    1418.21   92.240    101.369 3.4266  102.814 3.3495  -1.445457      4.791717 
1 1 1 5   -17 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -17 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -17 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -17 4  o 105.415 2.3880  1490.63   67.417    1524.51   95.627    1457.16   95.061    106.607 3.3489  104.223 3.4053  2.384209       4.776071 
1 1 1 5   -17 5  o 138.802 2.8891  2586.51   107.398   2542.52   152.051   2630.31   151.717   137.621 4.1249  139.983 4.0464  -2.361893      5.778280 
1 1 1 5   -17 6  o 122.124 2.6204  2001.87   85.665    2081.27   121.224   1922.67   121.074   124.548 3.6338  119.700 3.7763  4.848022       5.240717 
1 1 1 5   -17 7  o 182.395 3.5816  4471.33   174.969   4514.70   247.396   4427.93   247.491   183.283 5.0394  181.506 5.0907  1.776260       7.163184 
1 1 1 5   -17 8  o 97.269  2.2271  1269.24   58.005    1301.88   81.806    1236.24   82.258    98.529  3.0998  96.009  3.1987  2.520256       4.454282 
1 1 1 5   -17 9  o 248.915 4.7434  8351.01   316.250   8348.16   446.928   8353.87   447.562   248.873 6.7046  248.957 6.7118  -0.8343506E-01 9.486816 
1 1 1 5   -17 10 o 66.465  1.8324  592.033   32.611    571.600   45.738    613.161   46.509    65.298  2.6151  67.631  2.5674  -2.333458      3.664746 
1 1 1 5   -17 11 o 254.601 4.8717  8743.97   332.225   8712.86   469.493   8775.17   470.183   254.145 6.8970  255.057 6.8824  -0.9110413     9.743495 
1 1 1 5   -17 12 o 29.573  1.9286  121.675   14.133    75.408    19.677    170.971   20.312    23.493  3.2112  35.653  2.1368  -12.16015      3.857159 
1 1 1 5   -17 13 o 40.713  2.3610  223.292   25.356    229.066   38.276    218.776   33.849    41.167  3.5047  40.260  3.1645  0.9065704      4.721922 
1 1 1 5   -17 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -17 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -17 16 o 61.680  1.8239  510.109   30.127    513.136   43.065    507.207   42.161    61.859  2.5992  61.502  2.5594  0.3571587      3.647775 
1 1 1 5   -17 17 o 95.812  2.2360  1231.97   57.376    1229.17   81.701    1234.69   80.595    95.703  3.1872  95.921  3.1369  -0.2180710     4.471998 
1 1 1 5   -17 18 o 37.717  1.7998  191.651   18.050    191.533   26.230    191.757   24.876    37.700  2.6138  37.734  2.4750  -0.3427887E-01 3.599613 
1 1 1 5   -17 19 o 103.495 2.3724  1438.70   65.735    1414.82   93.888    1461.65   92.066    102.648 3.4149  104.342 3.2942  -1.694511      4.744783 
1 1 1 5   -17 20 o 103.695 2.3788  1443.60   66.059    1459.16   94.471    1428.71   92.407    104.240 3.3836  103.150 3.3446  1.090416       4.757638 
1 1 1 5   -17 21 o 17.723  2.8482  43.211    13.175    51.479    19.959    36.826    17.539    19.213  4.0081  16.233  4.0478  2.980019       5.696432 
1 1 1 5   -17 22 o 39.387  2.0656  212.832   21.249    181.870   31.462    238.802   28.814    36.660  3.2373  42.114  2.5666  -5.453350      4.131288 
1 1 1 5   -17 23 o 11.476  2.8434  6.4137    13.403    -20.2692  19.205    31.751    18.715    7.7608  3.6427  15.192  4.3669  -7.430836      5.686706 
1 1 1 5   -17 24 o 20.056  2.8917  55.934    14.998    60.558    21.774    51.759    20.688    20.865  4.0422  19.247  4.1361  1.617548       5.783348 
1 1 1 5   -17 25 f 156.503 3.2420  3301.82   135.895   3342.94   192.874   3261.29   191.502   157.473 4.5728  155.533 4.5969  1.940384       6.483945 
1 1 1 5   -17 26 o 169.411 3.4658  3876.70   157.266   3906.95   222.842   3846.69   221.975   170.072 4.8919  168.750 4.9110  1.322281       6.931695 
1 1 1 5   -17 27 o 51.142  2.0882  353.354   28.430    338.166   40.856    367.613   39.586    50.058  3.0618  52.227  2.8405  -2.168331      4.176493 
1 1 1 5   -17 28 o 61.082  2.0960  501.953   34.284    500.166   48.981    503.668   48.003    60.972  2.9992  61.192  2.9288  -0.2195702     4.191996 
1 1 1 5   -17 29 o 67.690  2.1523  617.070   39.019    625.046   55.549    609.302   54.821    68.122  3.0444  67.258  3.0431  0.8632355      4.304524 
1 1 1 5   -17 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -17 31 o 17.850  3.1331  45.161    14.976    38.992    21.151    51.363    21.208    16.643  4.5940  19.058  4.2616  -2.414686      6.266255 
1 1 1 5   -17 32 o 38.133  2.2041  198.958   22.207    179.905   31.666    217.394   31.150    36.279  3.2947  39.986  2.9288  -3.707184      4.408225 
1 1 1 5   -17 33 o 34.234  2.2759  160.481   20.572    146.523   28.629    175.383   29.581    32.659  3.3189  35.810  3.1151  -3.150276      4.551793 
1 1 1 5   -17 34 o 13.048  3.2508  21.059    14.128    19.486    19.654    22.741    20.324    12.716  4.5519  13.380  4.6422  -0.6632109     6.501528 
1 1 1 5   -17 35 o 47.217  2.2193  305.351   27.886    293.459   38.523    318.443   40.419    46.253  3.1279  48.182  3.1492  -1.929153      4.438655 
1 1 1 5   -17 36 o 44.735  3.0815  276.093   32.096    269.436   37.337    294.934   62.816    44.233  3.1725  45.237  5.2839  -1.003693      6.163084 
1 1 1 5   -17 37 o 45.938  3.2504  291.933   39.737    291.933   39.737    0.0000    0.0000    45.938  3.2504  ?       ?       ?              ?        
1 1 1 5   -17 38 o 17.144  5.4427  43.174    28.077    43.174    28.077    0.0000    0.0000    17.144  5.4427  ?       ?       ?              ?        
1 1 1 5   -17 39 o 48.282  3.5121  328.045   45.109    0.0000    0.0000    328.045   45.109    ?       ?       48.282  3.5121  ?              ?        
1 1 1 5   -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -17 41 o 21.756  3.0746  70.269    16.458    76.199    28.622    67.340    20.115    22.079  4.9608  21.433  3.6337  0.6457844      6.149241 
1 1 1 5   -17 42 o 26.562  2.7716  105.844   18.203    103.606   30.335    107.103   22.754    25.879  4.5418  27.245  3.1778  -1.365755      5.543163 
1 1 1 5   -17 43 o 10.839  3.0859  12.083    12.685    14.670    23.917    11.070    14.963    11.741  4.7977  9.9376  3.8825  1.803147       6.171860 
1 1 1 5   -17 44 o 13.657  3.2244  20.231    13.989    56.181    25.960    5.5208    16.606    18.045  5.1289  9.2686  3.9092  8.776648       6.448898 
1 1 1 5   -17 45 o 15.925  3.5492  42.502    16.029    50.035    28.903    39.155    19.263    16.520  5.5406  15.330  4.4373  1.189317       7.098444 
1 1 1 5   -17 46 o 16.390  3.5212  39.123    16.393    78.052    30.282    22.986    19.497    20.629  5.4127  12.152  4.5053  8.477598       7.042415 
1 1 1 5   -17 47 o 13.358  3.5465  31.335    16.684    27.758    31.188    32.769    19.747    13.028  5.4163  13.688  4.5797  -0.6598425     7.092949 
1 1 1 5   -17 48 o 8.1948  2.7376  -7.8888   13.543    -9.7170   27.781    -7.3189   15.511    9.1979  4.3370  7.1916  3.3418  2.006299       5.475168 
1 1 1 5   -16 0  o 75.703  2.0482  768.428   41.526    761.928   59.037    774.793   58.422    75.385  2.9238  76.020  2.8692  -0.6353531     4.096462 
1 1 1 5   -16 1  o 92.419  2.2371  1145.70   55.358    1117.54   78.624    1173.38   77.955    91.291  3.2154  93.547  3.1112  -2.256393      4.474217 
1 1 1 5   -16 2  o 139.314 2.9374  2605.81   109.547   2514.61   155.356   2696.00   154.492   136.883 4.2373  141.745 4.0692  -4.862564      5.874795 
1 1 1 5   -16 3  o 267.166 5.0620  9613.95   362.231   9670.20   512.865   9557.96   511.681   267.948 7.1460  266.384 7.1714  1.564819       10.12394 
1 1 1 5   -16 4  o 327.975 6.1758  14525.24  542.477   14300.13  767.371   14750.12  766.985   325.414 8.8040  330.537 8.6632  -5.123810      12.35157 
1 1 1 5   -16 5  o 38.544  1.7032  199.857   17.495    198.626   24.729    201.090   24.754    38.424  2.4151  38.663  2.4022  -0.2395287     3.406345 
1 1 1 5   -16 6  o 126.955 2.6481  2161.69   90.047    2175.55   127.316   2147.81   127.377   127.363 3.7321  126.547 3.7579  0.8158035      5.296256 
1 1 1 5   -16 7  o 67.140  1.8617  604.078   33.477    597.778   47.068    610.527   47.625    66.786  2.6312  67.494  2.6344  -0.7083664     3.723309 
1 1 1 5   -16 8  o 132.148 2.7278  2342.31   96.550    2322.19   136.245   2362.60   136.843   131.577 3.8659  132.718 3.8495  -1.140884      5.455616 
1 1 1 5   -16 9  o 87.652  2.0644  1029.86   48.466    1027.69   68.225    1032.07   68.863    87.559  2.9090  87.745  2.9300  -0.1859283     4.128866 
1 1 1 5   -16 10 o 189.509 3.6713  4824.33   186.356   4806.70   263.231   4842.05   263.864   189.162 5.1953  189.857 5.1888  -0.6949310     7.342689 
1 1 1 5   -16 11 o 309.306 5.8042  12917.63  480.755   13231.72  679.905   12603.57  679.875   313.097 8.1074  305.516 8.3082  7.581909       11.60843 
1 1 1 5   -16 12 f 103.840 2.3119  1446.05   64.301    1451.37   90.767    1440.69   91.106    104.032 3.2574  103.647 3.2817  0.3844376      4.623878 
1 1 1 5   -16 13 o 147.923 2.9593  2937.57   117.244   2970.44   165.719   2904.62   165.897   148.754 4.1593  147.092 4.2108  1.661530       5.918607 
1 1 1 5   -16 14 o 138.162 2.8445  2562.52   105.265   2573.92   148.991   2551.17   148.744   138.469 4.0172  137.855 4.0284  0.6142120      5.689052 
1 1 1 5   -16 15 o 111.001 2.4254  1653.24   72.107    1646.49   102.256   1659.91   101.696   110.774 3.4464  111.227 3.4135  -0.4523239     4.850739 
1 1 1 5   -16 16 o 133.248 3.3692  2391.95   114.240   2402.72   141.229   2371.57   194.301   133.764 3.9418  132.731 5.4653  1.033188       6.738476 
1 1 1 5   -16 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -16 18 o 83.706  3.0142  943.607   67.409    971.468   94.694    914.985   95.980    85.025  4.1580  82.388  4.3650  2.637154       6.028454 
1 1 1 5   -16 19 o 90.955  2.2067  1110.13   53.742    1112.29   77.061    1108.09   74.986    91.038  3.1603  90.871  3.0808  0.1668930      4.413450 
1 1 1 5   -16 20 o 66.509  1.9268  593.036   34.301    602.419   49.568    584.414   47.515    67.012  2.7616  66.006  2.6876  1.006058       3.853506 
1 1 1 5   -16 21 o 147.904 3.1016  2945.15   122.775   2832.59   174.568   3055.32   172.706   145.089 4.4920  150.719 4.2781  -5.629501      6.203249 
1 1 1 5   -16 22 o 151.166 3.1299  3074.87   126.725   3097.16   180.227   3053.06   178.221   151.706 4.4353  150.625 4.4174  1.081039       6.259880 
1 1 1 5   -16 23 o 98.683  2.3767  1308.05   62.809    1304.02   89.601    1311.94   88.071    98.531  3.3951  98.836  3.3268  -0.3044205     4.753340 
1 1 1 5   -16 24 o 67.259  2.0826  607.711   37.487    592.582   53.690    622.103   52.365    66.438  3.0171  68.080  2.8717  -1.642586      4.165243 
1 1 1 5   -16 25 o 92.350  2.3008  1145.65   56.910    1148.39   80.877    1142.96   80.096    92.459  3.2658  92.242  3.2418  0.2166595      4.601627 
1 1 1 5   -16 26 f 173.682 3.5468  4072.54   164.999   4098.15   233.593   4047.05   233.094   174.229 5.0055  173.134 5.0264  1.095291       7.093695 
1 1 1 5   -16 27 o 139.556 3.0105  2625.83   112.531   2609.98   158.947   2641.75   159.340   139.133 4.2651  139.980 4.2498  -0.8476105     6.020996 
1 1 1 5   -16 28 o 100.848 2.4733  1369.88   66.785    1408.51   94.300    1331.00   94.598    102.284 3.4420  99.413  3.5526  2.870941       4.946594 
1 1 1 5   -16 29 f 47.099  2.1344  299.827   26.712    272.368   37.377    328.489   38.188    44.870  3.1296  49.328  2.9031  -4.458145      4.268766 
1 1 1 5   -16 30 o 86.874  2.3486  1018.07   54.646    999.656   76.873    1036.88   77.696    86.077  3.3342  87.670  3.3087  -1.592705      4.697278 
1 1 1 5   -16 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -16 32 o 117.576 2.7727  1880.91   87.311    1881.88   122.641   1879.90   124.330   117.620 3.8928  117.532 3.9494  0.8856201E-01  5.545424 
1 1 1 5   -16 33 o 50.362  2.1743  345.637   29.136    363.751   40.841    326.864   41.577    51.741  2.9592  48.982  3.1864  2.759441       4.348577 
1 1 1 5   -16 34 o 14.414  3.0529  28.399    14.107    44.192    18.773    7.9111    21.381    17.597  4.0647  11.231  4.5563  6.366687       6.105901 
1 1 1 5   -16 35 o 50.877  2.2007  354.212   29.836    351.315   41.587    357.286   42.831    50.674  3.0785  51.081  3.1458  -0.4065742     4.401497 
1 1 1 5   -16 36 o 48.008  2.2581  316.698   28.860    310.114   40.142    323.742   41.521    47.498  3.1736  48.519  3.2132  -1.021236      4.516196 
1 1 1 5   -16 37 o 63.134  3.2282  549.172   54.408    549.172   54.408    0.0000    0.0000    63.134  3.2282  ?       ?       ?              ?        
1 1 1 5   -16 38 o 16.890  5.1087  41.853    25.081    41.853    25.081    0.0000    0.0000    16.890  5.1087  ?       ?       ?              ?        
1 1 1 5   -16 39 o 39.927  2.9982  227.907   30.793    233.834   49.327    224.122   39.416    40.062  4.6854  39.792  3.7421  0.2697105      5.996364 
1 1 1 5   -16 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -16 41 o 14.569  3.7906  27.694    15.580    27.247    41.479    27.768    16.811    15.454  6.3170  13.684  4.1917  1.770742       7.581203 
1 1 1 5   -16 42 o 19.405  3.1900  60.659    15.879    50.360    26.736    66.272    19.737    17.633  5.2613  21.177  3.6088  -3.544184      6.380067 
1 1 1 5   -16 43 o 9.8478  2.9775  5.0527    13.376    0.3655    23.744    7.2320    16.190    10.140  4.4733  9.5556  3.9309  0.5844221      5.955036 
1 1 1 5   -16 44 o 8.6523  2.7311  -1.7383   12.599    -18.0516  23.920    4.5245    14.821    8.5208  4.0197  8.7838  3.6983  -0.2630787     5.462233 
1 1 1 5   -16 45 o 30.643  2.9547  150.363   21.870    140.308   37.240    155.657   27.020    28.854  4.9996  32.431  3.1503  -3.576447      5.909365 
1 1 1 5   -16 46 o 17.521  3.2453  59.785    17.529    20.937    31.211    77.686    21.186    12.690  5.3563  22.352  3.6659  -9.661258      6.490663 
1 1 1 5   -16 47 o 23.419  3.5352  96.260    20.188    101.079   36.208    94.086    24.319    22.619  5.9109  24.219  3.8797  -1.600456      7.070386 
1 1 1 5   -16 48 o 7.8128  2.5476  -9.0039   13.313    -56.1449  27.735    5.1110    15.176    7.0401  3.5209  8.5854  3.6829  -1.545245      5.095159 
1 1 1 5   -15 0  o 171.255 3.4422  3937.02   157.880   3882.57   223.673   3991.09   222.879   170.071 4.9102  172.438 4.8256  -2.367203      6.884442 
1 1 1 5   -15 1  o 77.333  2.0516  801.555   42.492    797.570   60.403    805.460   59.788    77.142  2.9233  77.524  2.8793  -0.3814926     4.103226 
1 1 1 5   -15 2  o 149.548 3.0568  3000.45   122.411   2929.42   173.547   3070.77   172.686   147.783 4.3843  151.313 4.2608  -3.529938      6.113678 
1 1 1 5   -15 3  o 140.927 2.9493  2663.79   111.305   2609.92   157.745   2717.21   157.074   139.505 4.2216  142.348 4.1197  -2.843033      5.898596 
1 1 1 5   -15 4  f 351.409 6.5876  16642.41  620.022   16835.73  877.297   16449.49  876.390   353.460 9.2666  349.358 9.3656  4.101288       13.17514 
1 1 1 5   -15 5  o 171.964 3.3989  3967.16   156.528   4053.30   221.488   3881.21   221.239   173.831 4.7570  170.096 4.8560  3.735870       6.797791 
1 1 1 5   -15 6  o 123.825 2.6198  2055.40   86.890    2061.70   122.764   2049.09   122.999   124.016 3.6958  123.635 3.7142  0.3803787      5.239688 
1 1 1 5   -15 7  o 96.422  2.2003  1246.30   56.774    1179.63   79.957    1314.09   80.627    93.819  3.1818  99.024  3.0398  -5.205711      4.400537 
1 1 1 5   -15 8  o 332.563 6.1814  14894.00  550.578   15104.94  778.530   14682.95  778.741   334.932 8.6782  330.194 8.8051  4.737915       12.36290 
1 1 1 5   -15 9  o 187.785 3.6514  4732.22   183.648   4774.79   259.457   4689.48   259.978   188.633 5.1352  186.936 5.1922  1.696884       7.302704 
1 1 1 5   -15 10 o 146.906 2.9447  2894.45   115.863   2926.87   163.629   2861.86   164.082   147.733 4.1352  146.080 4.1936  1.652679       5.889452 
1 1 1 5   -15 11 o 120.251 2.5711  1938.81   82.811    1946.65   116.910   1930.91   117.316   120.495 3.6224  120.006 3.6498  0.4891357      5.142221 
1 1 1 5   -15 12 o 305.618 5.7610  12587.06  471.589   12614.51  666.787   12559.59  667.069   305.953 8.1366  305.282 8.1579  0.6716309      11.52199 
1 1 1 5   -15 13 o 146.890 3.0002  2895.09   118.039   2911.16   167.013   2879.05   166.852   147.298 4.2332  146.482 4.2527  0.8159943      6.000389 
1 1 1 5   -15 14 o 159.837 3.2036  3429.79   137.139   3495.03   194.297   3365.03   193.593   161.355 4.4957  158.319 4.5653  3.035217       6.407248 
1 1 1 5   -15 15 o 144.456 2.9505  2800.88   114.155   2841.67   162.093   2760.73   160.795   145.501 4.1592  143.411 4.1860  2.089188       5.900989 
1 1 1 5   -15 16 o 119.837 2.5665  1926.54   82.356    1993.44   117.338   1861.60   115.618   121.889 3.5941  117.785 3.6648  4.104111       5.133036 
1 1 1 5   -15 17 o 138.786 2.8591  2586.05   106.276   2627.27   151.293   2545.90   149.320   139.878 4.0381  137.694 4.0487  2.184189       5.718251 
1 1 1 5   -15 18 o 101.202 4.7327  1377.10   128.289   1377.10   128.289   0.0000    0.0000    101.202 4.7327  ?       ?       ?              ?        
1 1 1 5   -15 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -15 20 o 44.892  1.8297  272.187   21.820    254.155   31.546    288.728   30.213    43.445  2.7247  46.339  2.4429  -2.894157      3.659466 
1 1 1 5   -15 21 o 105.006 2.3925  1479.91   67.249    1555.49   96.053    1407.24   94.183    107.639 3.3316  102.373 3.4348  5.265610       4.785088 
1 1 1 5   -15 22 o 38.286  1.9163  197.526   19.520    202.486   28.003    192.839   27.224    38.756  2.7147  37.817  2.7055  0.9382591      3.832673 
1 1 1 5   -15 23 o 65.799  2.0157  580.763   35.512    589.398   51.035    572.658   49.446    66.272  2.8751  65.327  2.8259  0.9456253      4.031335 
1 1 1 5   -15 24 o 67.568  2.0636  613.058   37.329    598.866   53.212    626.809   52.380    66.795  2.9742  68.341  2.8615  -1.546326      4.127262 
1 1 1 5   -15 25 o 75.946  2.1687  774.443   44.112    772.033   62.760    776.796   62.015    75.827  3.0901  76.064  3.0439  -0.2364578     4.337483 
1 1 1 5   -15 26 o 67.408  2.0957  610.100   37.836    610.902   53.802    609.316   53.220    67.451  2.9780  67.365  2.9495  0.8592224E-01  4.191447 
1 1 1 5   -15 27 o 64.629  2.0839  560.997   36.072    553.129   50.835    568.977   51.193    64.172  2.9575  65.086  2.9365  -0.9141769     4.167737 
1 1 1 5   -15 28 o 24.803  2.7192  87.939    16.757    115.279   23.329    58.797    24.086    29.130  3.0345  20.476  4.5131  8.653509       5.438444 
1 1 1 5   -15 29 o 148.249 3.1948  2972.39   126.853   2938.50   178.556   3006.92   180.251   147.395 4.5228  149.104 4.5134  -1.709366      6.389519 
1 1 1 5   -15 30 o 109.050 2.6330  1605.90   76.895    1609.86   107.861   1601.80   109.653   109.195 3.6878  108.904 3.7591  0.2909775      5.266026 
1 1 1 5   -15 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -15 32 o 85.825  2.3770  996.863   54.631    994.323   76.423    999.517   78.124    85.722  3.3285  85.928  3.3944  -0.2059631     4.753978 
1 1 1 5   -15 33 o 79.548  2.3261  858.577   49.536    868.205   69.218    848.468   70.923    80.023  3.2293  79.072  3.3487  0.9511108      4.652133 
1 1 1 5   -15 34 f 17.250  3.2358  43.180    15.351    50.263    20.482    34.102    23.189    18.780  4.1795  15.719  4.9410  3.061221       6.471633 
1 1 1 5   -15 35 o 34.625  2.4226  167.930   21.700    198.096   30.170    135.596   31.235    38.047  2.9844  31.202  3.8169  6.844484       4.845201 
1 1 1 5   -15 36 o 60.666  2.0745  500.100   33.531    517.617   50.416    486.205   44.901    61.569  3.0571  59.763  2.8050  1.806656       4.149014 
1 1 1 5   -15 37 o 45.877  2.4536  296.917   29.270    332.852   39.407    252.696   43.715    49.237  3.0025  42.517  3.8814  6.719704       4.907160 
1 1 1 5   -15 38 o 45.240  3.3491  284.099   40.294    284.099   40.294    0.0000    0.0000    45.240  3.3491  ?       ?       ?              ?        
1 1 1 5   -15 39 o 19.717  5.5591  59.261    30.625    59.261    30.625    0.0000    0.0000    19.717  5.5591  ?       ?       ?              ?        
1 1 1 5   -15 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -15 41 o 34.284  4.1064  202.855   26.443    155.294   61.621    213.590   29.276    29.472  7.7155  39.095  2.8146  -9.622860      8.212880 
1 1 1 5   -15 42 o 34.863  2.4531  171.006   22.010    196.764   36.313    156.048   27.673    36.686  3.7482  33.040  3.1657  3.645226       4.906153 
1 1 1 5   -15 43 o 13.891  3.3733  28.862    14.597    32.403    25.082    27.048    17.950    14.467  5.1460  13.315  4.3628  1.151932       6.746519 
1 1 1 5   -15 44 o 25.165  3.0406  101.432   18.984    90.940    30.468    108.091   24.272    23.401  5.0120  26.930  3.4438  -3.528973      6.081155 
1 1 1 5   -15 45 o 43.621  2.4108  276.891   27.358    322.473   44.464    249.122   34.704    46.149  3.6263  41.093  3.1778  5.055927       4.821672 
1 1 1 5   -15 46 o 9.3495  2.9294  1.4905    13.427    3.6163    24.673    0.5959    16.005    10.292  4.5491  8.4073  3.6921  1.884484       5.858839 
1 1 1 5   -15 47 o 11.623  3.3753  17.131    15.353    23.028    29.726    14.985    17.930    12.603  5.2677  10.643  4.2216  1.960011       6.750586 
1 1 1 5   -15 48 o 7.6847  2.6357  -16.0426  12.999    -13.2618  28.542    -16.7703  14.601    9.1756  4.3473  6.1938  2.9813  2.981868       5.271365 
1 1 1 5   -14 0  o 99.857  2.3288  1336.28   62.286    1347.36   88.438    1325.37   87.737    100.268 3.2930  99.447  3.2938  0.8214645      4.657572 
1 1 1 5   -14 1  o 348.559 6.5380  16351.79  610.344   16118.57  863.578   16584.56  862.737   346.063 9.3166  351.056 9.1752  -4.992889      13.07604 
1 1 1 5   -14 2  o 101.730 2.3424  1387.23   63.806    1354.95   90.583    1419.01   89.892    100.554 3.3632  102.906 3.2613  -2.351631      4.684818 
1 1 1 5   -14 3  o 326.327 6.1408  14315.40  536.736   14245.91  759.409   14384.77  758.709   325.532 8.7095  327.122 8.6592  -1.589905      12.28157 
1 1 1 5   -14 4  o 187.061 3.6737  4692.43   184.066   4666.43   260.459   4718.37   260.157   186.542 5.2128  187.579 5.1780  -1.037018      7.347457 
1 1 1 5   -14 5  o 84.790  2.0520  963.351   46.593    984.774   65.860    941.886   65.923    85.734  2.8680  83.846  2.9354  1.888481       4.103923 
1 1 1 5   -14 6  o 93.970  2.1692  1183.26   54.574    1138.39   76.913    1228.74   77.449    92.176  3.1153  95.765  3.0194  -3.589302      4.338391 
1 1 1 5   -14 7  o 218.291 4.1690  6394.41   243.605   6122.55   344.007   6667.87   345.016   213.628 6.0120  222.954 5.7774  -9.325653      8.338032 
1 1 1 5   -14 8  o 512.756 9.4642  35525.57  1299.74   35047.57  1837.44   36004.27  1838.80   509.275 13.470  516.237 13.298  -6.962494      18.92850 
1 1 1 5   -14 9  o 230.676 4.3520  7142.16   268.766   6877.83   379.615   7407.82   380.570   226.388 6.2604  234.965 6.0470  -8.576736      8.703975 
1 1 1 5   -14 10 o 196.198 3.7491  5163.45   197.016   5203.12   278.449   5123.69   278.797   196.954 5.2783  195.442 5.3257  1.511902       7.498252 
1 1 1 5   -14 11 o 197.969 3.8319  5258.50   203.170   5341.11   287.245   5175.79   287.406   199.528 5.3748  196.410 5.4632  3.117996       7.663825 
1 1 1 5   -14 12 o 485.373 8.9818  31897.48  1167.67   32138.20  1651.51   31656.86  1651.17   487.223 12.655  483.522 12.749  3.701416       17.96367 
1 1 1 5   -14 13 o 222.015 4.2718  6619.96   254.011   6720.06   359.607   6520.28   358.846   223.695 6.0018  220.336 6.0804  3.358276       8.543607 
1 1 1 5   -14 14 o 142.388 2.9167  2719.29   111.236   2720.96   157.964   2717.65   156.667   142.430 4.1406  142.345 4.1091  0.8485413E-01  5.833477 
1 1 1 5   -14 15 o 149.554 3.0500  3000.80   122.161   3069.30   173.652   2933.70   171.885   151.245 4.2866  147.863 4.3400  3.382294       6.100030 
1 1 1 5   -14 16 o 136.221 2.8218  2489.93   102.947   2484.23   146.581   2495.48   144.616   136.065 4.0220  136.377 3.9590  -0.3118591     5.643610 
1 1 1 5   -14 17 o 221.803 4.3041  6622.24   255.701   6621.07   362.760   6623.40   360.482   221.780 6.1067  221.827 6.0671  -0.4631042E-01 8.608241 
1 1 1 5   -14 18 o 127.116 2.7354  2169.35   93.114    2153.10   132.799   2185.06   130.596   126.644 3.9149  127.587 3.8215  -0.9434052     5.470867 
1 1 1 5   -14 19 o 135.338 2.8510  2459.59   103.340   2502.54   147.128   2417.77   145.182   136.504 4.0240  134.171 4.0398  2.333481       5.702023 
1 1 1 5   -14 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -14 21 o 126.430 2.7355  2147.34   92.635    2154.09   131.431   2140.67   130.585   126.627 3.8751  126.233 3.8622  0.3937759      5.471088 
1 1 1 5   -14 22 o 136.681 2.8994  2511.37   106.143   2501.31   150.359   2521.36   149.861   136.406 4.1154  136.956 4.0852  -0.5494690     5.798742 
1 1 1 5   -14 23 o 182.567 3.6681  4492.41   179.367   4450.55   253.631   4534.29   253.696   181.711 5.2111  183.423 5.1638  -1.712357      7.336271 
1 1 1 5   -14 24 o 67.962  2.0662  619.870   37.611    613.087   53.034    626.734   53.347    67.588  2.9296  68.336  2.9145  -0.7488785     4.132392 
1 1 1 5   -14 25 o 175.130 3.5757  4134.85   167.725   4092.07   236.809   4177.92   237.591   174.217 5.0748  176.043 5.0387  -1.826477      7.151393 
1 1 1 5   -14 26 o 27.367  2.4771  102.066   17.710    98.928    24.207    105.679   25.980    26.918  3.4357  27.816  3.5693  -0.8974686     4.954189 
1 1 1 5   -14 27 o 89.643  2.3485  1079.69   56.385    1063.71   79.128    1096.17   80.367    88.969  3.3205  90.316  3.3222  -1.347168      4.697088 
1 1 1 5   -14 28 o 49.676  2.0846  333.036   27.579    347.546   38.750    318.141   39.260    50.787  2.8602  48.565  3.0333  2.222130       4.169195 
1 1 1 5   -14 29 o 87.585  2.3409  1032.56   54.892    1043.09   76.765    1021.55   78.524    88.049  3.2550  87.121  3.3650  0.9277573      4.681727 
1 1 1 5   -14 30 o 66.711  2.1880  599.118   39.075    598.698   54.364    599.567   56.203    66.693  3.0433  66.730  3.1445  -0.3701019E-01 4.376035 
1 1 1 5   -14 31 o 12.485  3.2372  16.475    14.546    23.788    19.505    7.3116    21.833    13.620  4.5516  11.351  4.6045  2.268882       6.474494 
1 1 1 5   -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -14 33 o 80.655  2.3498  881.394   50.735    872.803   70.445    890.654   73.130    80.260  3.2769  81.050  3.3686  -0.7899551     4.699546 
1 1 1 5   -14 34 o 56.605  2.1976  436.065   33.165    435.972   45.993    436.164   47.866    56.617  3.0441  56.593  3.1705  0.2402496E-01  4.395270 
1 1 1 5   -14 35 o 35.719  2.0857  172.624   19.528    186.027   30.537    163.351   25.400    36.842  3.1240  34.596  2.7642  2.245903       4.171375 
1 1 1 5   -14 36 o 52.804  2.0961  385.194   29.143    344.346   43.399    418.740   39.330    50.080  3.2531  55.529  2.6443  -5.449383      4.192219 
1 1 1 5   -14 37 o 31.301  2.2161  132.545   18.067    152.537   28.659    119.360   23.275    33.195  3.2656  29.408  2.9967  3.786989       4.432183 
1 1 1 5   -14 38 o 21.213  4.3600  65.369    23.945    65.369    23.945    0.0000    0.0000    21.213  4.3600  ?       ?       ?              ?        
1 1 1 5   -14 39 o 21.159  5.5668  68.226    31.974    68.226    31.974    0.0000    0.0000    21.159  5.5668  ?       ?       ?              ?        
1 1 1 5   -14 40 o 38.765  2.9350  209.011   30.249    0.0000    0.0000    209.011   30.249    ?       ?       38.765  2.9350  ?              ?        
1 1 1 5   -14 41 o 12.951  4.1250  24.241    16.118    0.0000    0.0000    24.241    16.118    ?       ?       12.951  4.1250  ?              ?        
1 1 1 5   -14 42 o 17.084  3.0313  51.008    15.369    14.102    26.955    68.785    18.707    12.378  5.0797  21.789  3.3095  -9.411379      6.062658 
1 1 1 5   -14 43 o 24.017  3.1257  91.805    18.332    81.040    30.799    97.711    22.814    22.199  5.2604  25.836  3.3776  -3.637522      6.251388 
1 1 1 5   -14 44 o 39.201  2.4376  223.954   24.624    241.822   40.271    213.285   31.119    40.046  3.7999  38.357  3.0543  1.688992       4.875272 
1 1 1 5   -14 45 f 10.656  3.1443  10.865    14.376    5.2755    26.066    13.309    17.234    10.785  4.7245  10.526  4.1504  0.2584648      6.288604 
1 1 1 5   -14 46 f 11.691  3.2008  9.8829    14.585    40.607    25.561    -4.9491   17.760    15.190  5.2098  8.1911  3.7200  6.999102       6.401600 
1 1 1 5   -14 47 o 26.208  3.4765  123.006   21.612    105.768   37.978    131.261   26.282    23.152  6.0552  29.263  3.4176  -6.110582      6.953043 
1 1 1 5   -14 48 o 16.731  3.2224  59.942    18.589    7.1452    35.579    79.765    21.801    11.337  5.1932  22.125  3.8166  -10.78757      6.444798 
1 1 1 5   -13 0  o 586.569 10.842  46543.71  1703.21   45663.36  2408.47   47424.39  2408.92   580.965 15.478  592.172 15.187  -11.20776      21.68444 
1 1 1 5   -13 1  o 500.212 9.2322  33739.63  1236.87   34166.09  1750.11   33314.05  1748.28   503.390 12.980  497.034 13.132  6.355804       18.46432 
1 1 1 5   -13 2  o 403.630 7.5249  21915.83  813.416   21494.16  1150.55   22337.21  1150.14   399.731 10.746  407.529 10.537  -7.798553      15.04987 
1 1 1 5   -13 3  o 395.311 7.3862  21015.60  781.982   20652.27  1105.93   21378.88  1105.85   391.879 10.536  398.742 10.354  -6.862427      14.77232 
1 1 1 5   -13 4  o 417.108 7.7209  23402.88  862.596   23411.52  1219.96   23394.24  1219.83   417.186 10.918  417.031 10.920  0.1545410      15.44185 
1 1 1 5   -13 5  o 140.279 2.8828  2637.21   108.293   2570.64   152.919   2704.18   153.380   138.502 4.1221  142.055 4.0311  -3.553787      5.765525 
1 1 1 5   -13 6  o 380.062 7.0225  19415.96  714.884   19492.17  1010.82   19339.70  1011.18   380.811 9.9100  379.313 9.9527  1.498260       14.04509 
1 1 1 5   -13 7  o 137.236 2.7569  2523.74   101.327   2471.04   142.943   2576.96   143.657   135.795 3.9300  138.676 3.8675  -2.880875      5.513857 
1 1 1 5   -13 8  o 109.977 2.3739  1620.48   69.928    1616.80   98.613    1624.21   99.177    109.851 3.3515  110.102 3.3630  -0.2514267     4.747875 
1 1 1 5   -13 9  o 154.356 3.1139  3193.34   128.739   3192.06   181.821   3194.62   182.308   154.325 4.3986  154.387 4.4087  -0.6147766E-01 6.227710 
1 1 1 5   -13 10 o 294.277 5.5050  11628.93  433.842   11879.61  613.609   11378.35  613.481   297.457 7.7016  291.097 7.8682  6.359222       11.01009 
1 1 1 5   -13 11 o 253.673 4.7675  8635.97   323.927   8585.66   458.054   8686.30   458.151   252.932 6.7612  254.413 6.7233  -1.481140      9.534988 
1 1 1 5   -13 12 o 127.893 2.6697  2192.09   91.447    2222.63   129.639   2161.83   129.016   128.781 3.7583  127.006 3.7925  1.774490       5.339325 
1 1 1 5   -13 13 o 111.599 2.4511  1668.88   73.263    1686.68   104.318   1651.56   102.917   112.186 3.4716  111.012 3.4612  1.174179       4.902247 
1 1 1 5   -13 14 o 250.035 4.7640  8398.21   319.040   8344.01   451.954   8452.03   450.431   249.228 6.7703  250.843 6.7041  -1.615540      9.527932 
1 1 1 5   -13 15 o 241.063 4.5998  7808.91   296.984   7746.61   420.970   7870.65   419.035   240.101 6.5459  242.026 6.4640  -1.924713      9.199539 
1 1 1 5   -13 16 o 241.215 4.6242  7824.39   298.744   7749.85   423.597   7898.15   421.388   240.065 6.5877  242.366 6.4912  -2.300400      9.248405 
1 1 1 5   -13 17 o 258.357 4.9097  8987.88   339.739   9101.39   481.707   8875.53   479.229   259.985 6.9174  256.729 6.9692  3.256561       9.819371 
1 1 1 5   -13 18 o 288.645 5.4762  11248.14  423.378   11204.73  599.563   11291.31  597.935   288.082 7.7702  289.208 7.7189  -1.126129      10.95246 
1 1 1 5   -13 19 o 224.234 4.3512  6773.71   261.323   6717.19   370.066   6829.92   369.069   223.294 6.1875  225.174 6.1193  -1.880447      8.702315 
1 1 1 5   -13 20 o 33.578  1.8633  152.126   16.622    151.303   23.648    152.928   23.368    33.486  2.6584  33.671  2.6115  -0.1847420     3.726585 
1 1 1 5   -13 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -13 22 o 147.845 3.0863  2939.46   122.199   2996.15   172.773   2882.71   172.859   149.278 4.3211  146.413 4.4078  2.864838       6.172551 
1 1 1 5   -13 23 o 117.047 2.6218  1840.85   82.175    1881.99   116.022   1799.44   116.405   118.364 3.6596  115.729 3.7553  2.634354       5.243533 
1 1 1 5   -13 24 o 39.047  1.9866  205.915   20.607    215.204   28.884    196.284   29.409    39.959  2.7148  38.135  2.9009  1.823757       3.973106 
1 1 1 5   -13 25 o 110.508 2.5837  1641.23   76.467    1659.01   107.651   1623.12   108.637   111.116 3.6170  109.900 3.6905  1.215782       5.167493 
1 1 1 5   -13 26 o 65.656  2.1096  578.972   37.078    598.097   52.255    559.578   52.621    66.752  2.9226  64.560  3.0430  2.191399       4.219216 
1 1 1 5   -13 27 o 199.971 4.0101  5405.65   214.784   5355.47   302.724   5456.51   304.787   199.034 5.6785  200.908 5.6638  -1.873611      8.020217 
1 1 1 5   -13 28 o 73.097  2.1817  717.795   42.706    714.656   59.685    721.087   61.131    72.936  3.0552  73.258  3.1154  -0.3228302     4.363469 
1 1 1 5   -13 29 o 48.871  2.1236  322.189   27.655    320.993   38.610    323.448   39.629    48.781  2.9691  48.960  3.0369  -0.1787338     4.247190 
1 1 1 5   -13 30 o 137.737 3.0543  2564.74   112.666   2567.36   158.060   2562.02   160.639   137.820 4.2818  137.654 4.3569  0.1658173      6.108652 
1 1 1 5   -13 31 o 60.862  2.2023  499.669   35.752    482.590   49.346    518.540   51.869    59.770  3.0929  61.954  3.1359  -2.184563      4.404547 
1 1 1 5   -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -13 33 o 40.612  1.9994  222.254   21.466    236.003   32.673    211.812   28.474    41.693  2.9447  39.531  2.7055  2.162220       3.998840 
1 1 1 5   -13 34 o 69.090  2.1058  644.688   38.849    670.487   57.662    623.243   52.571    70.329  3.0610  67.850  2.8928  2.479340       4.211622 
1 1 1 5   -13 35 o 52.794  2.0118  377.535   28.175    393.848   42.570    364.819   37.585    53.771  2.9672  51.817  2.7175  1.954239       4.023605 
1 1 1 5   -13 36 o 54.218  2.0471  399.894   29.408    411.262   44.575    391.133   39.132    54.846  3.0463  53.590  2.7353  1.256428       4.094131 
1 1 1 5   -13 37 o 54.949  2.0767  411.156   30.242    430.527   45.951    396.354   40.168    56.032  3.0735  53.866  2.7936  2.165882       4.153388 
1 1 1 5   -13 38 o 48.378  3.2594  323.424   41.990    323.424   41.990    0.0000    0.0000    48.378  3.2594  ?       ?       ?              ?        
1 1 1 5   -13 39 o 47.685  3.3874  316.722   42.983    316.722   42.983    0.0000    0.0000    47.685  3.3874  ?       ?       ?              ?        
1 1 1 5   -13 40 o 39.045  4.8994  224.957   50.111    224.957   50.111    0.0000    0.0000    39.045  4.8994  ?       ?       ?              ?        
1 1 1 5   -13 41 o 19.722  3.8360  57.151    19.534    0.0000    0.0000    57.151    19.534    ?       ?       19.722  3.8360  ?              ?        
1 1 1 5   -13 42 o 26.611  4.0732  126.163   22.316    94.731    53.808    132.693   24.525    22.648  7.5599  30.573  3.0350  -7.924898      8.146370 
1 1 1 5   -13 43 o 26.787  2.9739  110.943   19.355    102.744   32.687    115.369   24.019    25.359  4.9901  28.216  3.2367  -2.857399      5.947877 
1 1 1 5   -13 44 o 11.349  3.1826  12.896    13.936    24.878    23.649    6.5222    17.249    13.089  4.9399  9.6084  4.0141  3.481017       6.365203 
1 1 1 5   -13 45 o 8.2370  2.6853  -10.3274  11.739    4.5075    23.290    -15.3798  13.592    10.310  4.4925  6.1639  2.9429  4.146232       5.370549 
1 1 1 5   -13 46 o 18.966  3.4165  67.887    18.414    38.274    31.662    83.023    22.636    14.824  5.6865  23.108  3.7886  -8.284016      6.833033 
1 1 1 5   -13 47 o 20.297  3.6151  77.066    19.329    64.699    34.168    82.885    23.440    17.878  6.0240  22.716  3.9985  -4.837324      7.230265 
1 1 1 5   -13 48 o 26.049  3.5194  117.153   21.908    137.809   40.215    108.435   26.126    26.323  5.8550  25.774  3.9069  0.5486050      7.038781 
1 1 1 5   -12 0  o 309.402 5.8261  12854.12  482.593   12392.27  682.498   13315.94  682.482   303.829 8.3866  314.974 8.0896  -11.14566      11.65229 
1 1 1 5   -12 1  o 538.053 9.8972  39021.45  1426.35   39111.00  2017.77   38932.02  2016.55   538.673 13.985  537.433 14.009  1.239807       19.79436 
1 1 1 5   -12 2  o 716.499 13.262  69537.27  2545.20   69269.21  3599.73   69805.23  3599.18   715.102 18.794  717.896 18.718  -2.794250      26.52465 
1 1 1 5   -12 3  o 17.198  2.2199  41.791    9.7219    51.597    13.479    31.158    14.036    19.446  2.6574  14.951  3.5567  4.495294       4.439821 
1 1 1 5   -12 4  o 335.992 6.2326  15157.48  560.851   15406.54  793.345   14908.66  792.981   338.758 8.7435  333.226 8.8845  5.531921       12.46527 
1 1 1 5   -12 5  o 246.032 4.6418  8121.30   305.695   8457.14   432.384   7785.66   432.253   251.126 6.4282  240.937 6.6980  10.18935       9.283575 
1 1 1 5   -12 6  o 70.283  1.8309  661.580   34.462    645.547   48.436    678.017   49.044    69.420  2.6049  71.145  2.5737  -1.724663      3.661866 
1 1 1 5   -12 7  f 191.019 3.6482  4893.41   186.464   4624.70   263.086   5164.65   264.317   185.742 5.2881  196.295 5.0272  -10.55241      7.296348 
1 1 1 5   -12 8  o 810.247 14.979  89256.09  3250.78   89561.55  4597.29   88950.61  4597.31   811.654 21.147  808.839 21.220  2.815125       29.95804 
1 1 1 5   -12 9  f 174.028 3.3892  4059.51   157.957   3975.82   223.165   4143.54   223.605   172.229 4.8376  175.827 4.7480  -3.597855      6.778324 
1 1 1 5   -12 10 o 90.642  2.1118  1100.74   51.266    1117.31   72.513    1084.18   72.489    91.325  2.9644  89.960  3.0084  1.364700       4.223530 
1 1 1 5   -12 11 o 286.307 5.3850  11002.91  412.911   11201.63  584.397   10804.81  583.492   288.893 7.5523  283.720 7.6781  5.173523       10.76994 
1 1 1 5   -12 12 o 352.296 6.5497  16680.69  618.028   16578.05  874.568   16783.07  873.479   351.209 9.2969  353.384 9.2282  -2.174164      13.09933 
1 1 1 5   -12 13 o 423.248 7.9279  24129.38  898.671   23763.76  1271.38   24494.45  1270.44   420.025 11.301  426.472 11.122  -6.447083      15.85577 
1 1 1 5   -12 14 o 295.715 5.5671  11750.89  440.856   11493.19  624.295   12007.21  622.638   292.468 7.9693  298.961 7.7756  -6.492188      11.13417 
1 1 1 5   -12 15 o 193.128 3.7836  5004.15   195.711   4982.66   277.913   5025.29   275.656   192.714 5.3840  193.541 5.3175  -0.8268433     7.567232 
1 1 1 5   -12 16 o 99.411  2.2924  1323.95   61.024    1367.95   87.286    1281.88   85.348    101.027 3.2257  97.796  3.2583  3.230789       4.584880 
1 1 1 5   -12 17 o 310.671 5.8359  13007.70  485.603   12892.05  687.356   13122.93  686.140   309.282 8.2973  312.060 8.2089  -2.778015      11.67185 
1 1 1 5   -12 18 o 80.307  2.0724  864.864   44.504    930.037   63.377    801.466   62.508    83.295  2.8407  77.319  3.0183  5.976120       4.144812 
1 1 1 5   -12 19 o 62.227  1.9004  519.116   31.667    534.838   44.929    503.596   44.641    63.164  2.6556  61.290  2.7193  1.874058       3.800900 
1 1 1 5   -12 20 o 60.368  1.8977  488.679   30.681    482.348   43.507    494.942   43.273    59.979  2.7081  60.758  2.6590  -0.7792320     3.795326 
1 1 1 5   -12 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -12 22 o 153.408 4.5461  3177.48   186.776   3108.93   262.692   3247.56   265.615   151.728 6.4639  155.087 6.3942  -3.359711      9.092168 
1 1 1 5   -12 23 o 64.455  1.9847  557.895   34.227    582.816   48.135    532.411   48.677    65.915  2.7264  62.994  2.8849  2.920856       3.969379 
1 1 1 5   -12 24 o 165.233 3.3859  3675.78   149.839   3609.76   211.040   3742.89   212.779   163.733 4.8122  166.734 4.7645  -3.000931      6.771796 
1 1 1 5   -12 25 o 88.451  2.3092  1050.18   54.698    1023.51   76.629    1077.89   78.102    87.305  3.2769  89.596  3.2545  -2.291039      4.618389 
1 1 1 5   -12 26 o 84.208  2.2938  952.451   51.713    960.039   72.220    944.466   74.082    84.556  3.1888  83.860  3.2982  0.6962738      4.587595 
1 1 1 5   -12 27 o 238.779 4.6714  7729.01   298.764   7717.21   421.318   7740.95   423.724   238.602 6.5925  238.956 6.6203  -0.3545837     9.342838 
1 1 1 5   -12 28 o 50.717  2.0610  347.163   27.823    359.590   38.616    333.747   40.121    51.678  2.8003  49.757  3.0248  1.920353       4.121994 
1 1 1 5   -12 29 o 62.984  2.1354  532.812   35.916    496.185   49.748    572.688   51.907    60.683  3.0706  65.284  2.9684  -4.600697      4.270894 
1 1 1 5   -12 30 o 87.092  2.3580  1022.07   54.949    1047.02   76.608    995.621   78.862    88.200  3.2428  85.983  3.4242  2.216805       4.716020 
1 1 1 5   -12 31 o 144.447 3.0714  2823.97   118.796   2904.49   170.465   2747.94   165.644   146.447 4.3458  142.447 4.3415  4.000015       6.142797 
1 1 1 5   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -12 33 o 87.217  2.2967  1029.78   53.511    1020.12   78.371    1038.22   73.240    86.800  3.3709  87.634  3.1202  -0.8348389     4.593343 
1 1 1 5   -12 34 o 36.697  2.0882  184.694   20.016    175.856   30.757    191.187   26.362    35.864  3.2367  37.531  2.6392  -1.667088      4.176321 
1 1 1 5   -12 35 o 74.970  2.1828  761.539   43.681    790.689   64.980    737.506   59.001    76.240  3.1820  73.699  2.9889  2.541512       4.365608 
1 1 1 5   -12 36 o 39.280  2.1104  212.068   21.666    206.282   33.551    216.206   28.376    38.733  3.2644  39.827  2.6755  -1.094555      4.220752 
1 1 1 5   -12 37 o 47.711  2.1848  320.624   26.882    269.310   41.274    358.425   35.426    44.123  3.5217  51.299  2.5865  -7.175884      4.369509 
1 1 1 5   -12 38 o 33.514  2.2847  156.219   19.708    153.269   31.444    158.127   25.292    33.113  3.6035  33.915  2.8096  -0.8012695     4.569335 
1 1 1 5   -12 39 o 10.488  4.3660  5.1704    20.304    5.1704    20.304    0.0000    0.0000    10.488  4.3660  ?       ?       ?              ?        
1 1 1 5   -12 40 o 32.162  5.1386  154.522   42.776    154.522   42.776    0.0000    0.0000    32.162  5.1386  ?       ?       ?              ?        
1 1 1 5   -12 41 o 34.227  2.9330  163.981   26.629    0.0000    0.0000    163.981   26.629    ?       ?       34.227  2.9330  ?              ?        
1 1 1 5   -12 42 o 27.044  3.8238  91.148    20.473    162.079   53.813    79.144    22.138    30.846  6.7046  23.241  3.6787  7.605234       7.647532 
1 1 1 5   -12 43 o 20.820  3.2396  68.007    17.134    68.037    28.048    67.989    21.641    20.445  5.1302  21.195  3.9576  -0.7495174     6.479288 
1 1 1 5   -12 44 o 10.715  3.1267  9.6709    13.322    15.661    25.048    7.3082    15.732    11.985  4.9050  9.4449  3.8789  2.539682       6.253378 
1 1 1 5   -12 45 o 15.453  3.3833  41.528    15.799    28.074    28.162    47.707    19.085    13.637  5.3269  17.269  4.1727  -3.631141      6.766593 
1 1 1 5   -12 46 o 14.214  3.4341  34.587    15.753    24.360    29.066    38.840    18.744    13.075  5.3098  15.353  4.3563  -2.277488      6.868132 
1 1 1 5   -12 47 o 11.496  3.2952  17.695    15.441    9.7034    28.451    21.031    18.383    11.254  4.9329  11.738  4.3703  -0.4839172     6.590324 
1 1 1 5   -12 48 o 13.998  3.6956  34.006    17.067    47.850    32.790    28.862    19.987    15.141  5.7920  12.855  4.5915  2.285898       7.391145 
1 1 1 5   -11 0  o 150.341 3.0893  3028.79   124.384   3092.53   176.324   2965.65   175.492   151.916 4.3333  148.766 4.4042  3.150482       6.178527 
1 1 1 5   -11 1  f 630.326 11.612  53646.08  1960.42   53197.79  2772.59   54094.27  2772.31   627.671 16.492  632.981 16.352  -5.310425      23.22396 
1 1 1 5   -11 2  o 259.143 4.9426  9007.03   343.065   9077.03   485.638   8937.30   484.697   260.149 6.9695  258.137 7.0102  2.012238       9.885200 
1 1 1 5   -11 3  o 437.744 8.1220  25767.51  952.198   26210.11  1347.12   25325.56  1346.11   441.515 11.391  433.973 11.581  7.542877       16.24402 
1 1 1 5   -11 4  o 204.307 3.8958  5595.41   213.188   5563.91   301.387   5626.94   301.599   203.731 5.5230  204.883 5.4959  -1.151672      7.791561 
1 1 1 5   -11 5  o 470.229 8.6496  29751.45  1089.33   29298.42  1539.96   30205.18  1541.13   466.630 12.321  473.828 12.143  -7.197693      17.29923 
1 1 1 5   -11 6  o 495.121 9.0974  33000.95  1206.46   33176.78  1706.06   32825.07  1706.32   496.448 12.830  493.795 12.901  2.652405       18.19477 
1 1 1 5   -11 7  o 230.200 4.3071  7105.27   265.568   7125.25   375.325   7085.25   375.815   230.525 6.0786  229.876 6.1037  0.6491394      8.614159 
1 1 1 5   -11 8  o 195.561 3.7786  5126.88   197.900   5215.10   279.792   5038.55   279.952   197.246 5.2959  193.875 5.3910  3.370682       7.557105 
1 1 1 5   -11 9  o 432.313 7.9923  25135.87  925.310   25671.13  1308.96   24601.21  1308.21   436.933 11.185  427.694 11.420  9.238800       15.98460 
1 1 1 5   -11 10 o 490.229 9.0161  32358.87  1183.88   32401.01  1674.55   32316.76  1673.95   490.549 12.745  489.908 12.757  0.6406555      18.03220 
1 1 1 5   -11 11 o 59.387  1.7597  472.230   27.974    478.055   40.351    466.839   38.817    59.740  2.5218  59.035  2.4549  0.7046013      3.519310 
1 1 1 5   -11 12 o 595.056 11.020  47848.82  1755.79   46474.56  2482.85   49223.55  2483.28   586.433 15.807  603.679 15.358  -17.24658      22.03902 
1 1 1 5   -11 13 o 234.094 4.4800  7351.58   280.867   7239.45   398.193   7462.61   396.225   232.314 6.3993  235.875 6.2715  -3.560867      8.960030 
1 1 1 5   -11 14 o 176.209 3.4698  4162.48   163.759   4180.62   232.712   4144.68   230.483   176.589 4.9200  175.829 4.8940  0.7597351      6.939563 
1 1 1 5   -11 15 o 142.512 2.9463  2722.22   112.460   2732.65   159.889   2712.01   158.208   142.782 4.1808  142.242 4.1525  0.5395660      5.892566 
1 1 1 5   -11 16 o 65.151  1.8992  568.574   33.137    576.986   47.359    560.506   46.381    65.623  2.6944  64.679  2.6772  0.9437637      3.798314 
1 1 1 5   -11 17 o 100.135 2.3400  1344.66   62.687    1425.82   88.940    1264.54   88.367    103.141 3.2194  97.128  3.3967  6.012810       4.679979 
1 1 1 5   -11 18 o 294.431 5.5629  11679.28  438.682   11536.64  620.262   11822.04  620.520   292.622 7.9137  296.240 7.8203  -3.618164      11.12579 
1 1 1 5   -11 19 o 235.528 4.5330  7466.32   285.953   7541.26   404.204   7391.23   404.595   236.718 6.3750  234.338 6.4460  2.379395       9.065928 
1 1 1 5   -11 20 o 147.917 3.0848  2939.01   122.181   3012.78   172.467   2864.69   173.116   149.787 4.2988  146.047 4.4254  3.739532       6.169581 
1 1 1 5   -11 21 o 54.825  1.8865  404.201   27.601    428.360   38.823    379.512   39.247    56.524  2.5643  53.127  2.7676  3.397121       3.772978 
1 1 1 5   -11 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -11 23 o 118.130 2.6547  1874.70   83.981    1896.29   118.071   1852.60   119.475   118.822 3.7099  117.437 3.7982  1.384712       5.309385 
1 1 1 5   -11 24 o 39.607  1.9097  211.410   20.135    211.083   28.194    211.750   28.765    39.578  2.6753  39.636  2.7260  -0.5798721E-01 3.819429 
1 1 1 5   -11 25 o 112.551 2.6150  1702.47   78.813    1721.39   110.562   1682.93   112.376   113.192 3.6467  111.910 3.7490  1.281799       5.230073 
1 1 1 5   -11 26 o 85.296  2.3007  976.331   52.545    946.549   73.285    1007.84   75.378    83.958  3.2589  86.634  3.2484  -2.676353      4.601334 
1 1 1 5   -11 27 o 73.426  2.1795  723.503   42.843    712.377   59.484    735.497   61.759    72.842  3.0488  74.010  3.1154  -1.168457      4.359013 
1 1 1 5   -11 28 o 31.274  2.3712  136.876   18.768    170.682   25.984    100.001   27.138    35.553  2.7500  26.995  3.8635  8.558453       4.742307 
1 1 1 5   -11 29 o 162.326 3.3927  3564.75   147.222   3357.43   210.143   3764.57   206.316   157.632 4.9772  167.021 4.6118  -9.388794      6.785355 
1 1 1 5   -11 30 o 23.705  2.3580  76.100    14.428    84.415    22.291    70.106    18.928    24.806  3.4482  22.604  3.2170  2.202250       4.715905 
1 1 1 5   -11 31 o 42.494  2.0994  249.036   23.210    213.641   34.997    276.830   31.012    39.679  3.3235  45.308  2.5659  -5.629101      4.198781 
1 1 1 5   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -11 33 f 85.379  2.2888  984.855   52.221    999.575   76.742    972.161   71.266    85.948  3.3335  84.811  3.1372  1.136948       4.577624 
1 1 1 5   -11 34 o 64.729  2.0752  564.352   35.820    593.430   53.717    541.069   48.067    66.202  3.0294  63.256  2.8370  2.945480       4.150389 
1 1 1 5   -11 35 o 83.141  2.2488  934.360   49.924    1015.83   74.203    866.983   67.482    86.423  3.2055  79.860  3.1548  6.562950       4.497575 
1 1 1 5   -11 36 o 70.150  2.1520  665.928   40.242    713.167   60.598    628.659   53.825    72.328  3.1280  67.971  2.9564  4.356468       4.304043 
1 1 1 5   -11 37 o 33.272  2.1610  148.466   18.715    173.818   30.055    132.411   23.918    35.508  3.1943  31.035  2.9113  4.472244       4.321969 
1 1 1 5   -11 38 o 29.176  2.5749  124.892   18.443    98.118    29.319    142.425   23.726    26.162  4.3357  32.190  2.7790  -6.027454      5.149856 
1 1 1 5   -11 39 o 28.418  3.9922  115.132   29.550    115.132   29.550    0.0000    0.0000    28.418  3.9922  ?       ?       ?              ?        
1 1 1 5   -11 40 o 21.301  5.6748  70.223    32.959    70.223    32.959    0.0000    0.0000    21.301  5.6748  ?       ?       ?              ?        
1 1 1 5   -11 41 o 48.783  2.8743  331.401   37.391    0.0000    0.0000    331.401   37.391    ?       ?       48.783  2.8743  ?              ?        
1 1 1 5   -11 42 o 16.272  4.1482  40.166    18.134    0.0000    0.0000    40.166    18.134    ?       ?       16.272  4.1482  ?              ?        
1 1 1 5   -11 43 o 26.016  2.9034  102.447   18.497    101.577   31.421    102.909   22.883    25.405  4.7933  26.628  3.2776  -1.222857      5.806763 
1 1 1 5   -11 44 o 9.4648  2.8859  0.9328    12.108    12.659    22.762    -3.6944   14.298    11.331  4.6610  7.5987  3.4042  3.732161       5.771803 
1 1 1 5   -11 45 o 10.999  3.1899  12.521    13.868    13.653    26.343    12.087    16.311    11.760  4.9400  10.237  4.0372  1.523574       6.379839 
1 1 1 5   -11 46 o 9.3655  2.8969  -7.8060   12.192    22.740    25.071    -17.2675  13.953    12.629  4.9974  6.1023  2.9316  6.526365       5.793822 
1 1 1 5   -11 47 o 10.942  3.3410  8.3848    16.410    20.917    30.270    3.1685    19.529    12.534  5.2818  9.3500  4.0928  3.184441       6.681991 
1 1 1 5   -11 48 o 9.6251  3.0195  5.3893    14.120    -1.1765   28.852    7.4573    16.192    10.097  4.6441  9.1528  3.8603  0.9445133      6.038963 
1 1 1 5   -10 0  o 177.163 3.5288  4206.58   167.443   4258.75   237.186   4154.76   236.416   178.258 4.9676  176.067 5.0131  2.190979       7.057542 
1 1 1 5   -10 1  o 261.733 4.9459  9188.13   346.731   9194.65   490.823   9181.63   489.883   261.826 6.9988  261.641 6.9903  0.1850281      9.891809 
1 1 1 5   -10 2  o 267.281 5.0652  9582.64   362.614   9640.30   513.167   9525.14   512.461   268.085 7.1466  266.477 7.1798  1.608032       10.13031 
1 1 1 5   -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -10 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -10 7  o 157.958 4.4009  3344.84   186.078   3181.97   260.900   3513.46   265.467   154.042 6.3233  161.874 6.1227  -7.831543      8.801827 
1 1 1 5   -10 8  o 380.523 7.0219  19453.58  715.656   19661.00  1012.21   19246.25  1011.98   382.557 9.8783  378.488 9.9823  4.069061       14.04374 
1 1 1 5   -10 9  o 313.685 5.8054  13206.27  487.771   13208.70  690.074   13203.84  689.552   313.714 8.2125  313.656 8.2077  0.5728149E-01  11.61084 
1 1 1 5   -10 10 o 236.071 4.4453  7477.56   280.727   7938.40   398.065   7021.58   395.959   243.320 6.1078  228.822 6.4605  14.49786       8.890632 
1 1 1 5   -10 11 o 488.807 9.0273  32171.82  1181.79   31654.20  1671.88   32688.74  1670.73   484.855 12.874  492.759 12.659  -7.903442      18.05467 
1 1 1 5   -10 12 o 550.352 10.126  40846.02  1492.62   40464.98  2111.71   41226.47  2110.06   547.768 14.393  552.937 14.247  -5.168640      20.25187 
1 1 1 5   -10 13 o 288.695 5.4188  11185.74  418.999   11099.49  593.500   11271.44  591.613   287.583 7.7049  289.808 7.6215  -2.225586      10.83756 
1 1 1 5   -10 14 o 487.445 8.9625  32023.55  1169.83   32937.53  1655.79   31112.66  1652.99   494.431 12.503  480.459 12.845  13.97195       17.92508 
1 1 1 5   -10 15 o 332.030 6.1822  14815.73  549.660   15227.05  777.903   14405.60  776.773   336.647 8.6270  327.412 8.8575  9.235046       12.36448 
1 1 1 5   -10 16 o 134.011 2.8270  2407.13   101.475   2410.52   143.543   2403.74   143.472   134.106 3.9962  133.917 3.9998  0.1887207      5.654045 
1 1 1 5   -10 17 o 382.053 7.1427  19677.44  730.913   19824.70  1033.59   19530.13  1033.75   383.493 10.062  380.614 10.140  2.879059       14.28539 
1 1 1 5   -10 18 o 240.760 4.6100  7790.33   297.284   7732.88   419.983   7848.03   420.865   239.868 6.5369  241.652 6.5022  -1.783844      9.220072 
1 1 1 5   -10 19 o 250.775 4.8046  8464.49   322.687   8603.87   455.869   8324.51   456.829   252.856 6.7310  248.694 6.8580  4.161652       9.609295 
1 1 1 5   -10 20 o 109.138 2.5001  1598.56   73.052    1640.30   102.777   1555.95   103.855   110.582 3.4699  107.695 3.6003  2.887199       5.000284 
1 1 1 5   -10 21 o 126.256 2.7608  2140.40   93.345    2170.52   131.377   2109.69   132.651   127.157 3.8574  125.355 3.9507  1.801712       5.521555 
1 1 1 5   -10 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -10 23 o 141.888 3.0148  2706.18   114.569   2714.86   161.244   2697.31   162.817   142.121 4.2358  141.654 4.2912  0.4669037      6.029653 
1 1 1 5   -10 24 o 100.332 2.4302  1352.42   65.271    1390.03   91.718    1313.81   92.909    101.752 3.3653  98.912  3.5069  2.839622       4.860391 
1 1 1 5   -10 25 o 66.569  2.0822  594.283   37.113    579.679   51.622    609.906   53.394    65.724  2.9324  67.415  2.9570  -1.690651      4.164440 
1 1 1 5   -10 26 o 158.975 3.3494  3405.26   142.539   3515.00   200.780   3293.75   202.391   161.576 4.6393  156.374 4.8321  5.202881       6.698717 
1 1 1 5   -10 27 f 93.164  2.3061  1163.39   57.490    1230.99   83.373    1102.11   79.380    95.740  3.2512  90.588  3.2715  5.151543       4.612295 
1 1 1 5   -10 28 o 79.082  2.1627  840.628   45.709    827.622   66.610    852.204   62.840    78.495  3.1682  79.669  2.9448  -1.173218      4.325426 
1 1 1 5   -10 29 o 41.907  1.9883  235.852   22.042    245.688   33.416    228.277   29.327    42.667  2.9420  41.148  2.6754  1.518295       3.976621 
1 1 1 5   -10 30 o 64.556  2.0404  557.197   35.177    599.802   52.240    521.851   47.582    66.799  2.9197  62.313  2.8509  4.486290       4.080708 
1 1 1 5   -10 31 o 54.486  2.0336  397.390   29.445    434.985   44.225    367.454   39.464    56.784  2.9176  52.189  2.8338  4.594818       4.067247 
1 1 1 5   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -10 33 o 54.071  2.0355  394.738   29.185    398.240   44.165    392.023   38.885    54.216  3.0537  53.925  2.6921  0.2910767      4.070972 
1 1 1 5   -10 34 o 31.338  2.2377  138.286   17.748    117.673   27.965    152.186   22.965    29.195  3.6563  33.481  2.5807  -4.285736      4.475348 
1 1 1 5   -10 35 o 51.262  2.0230  349.216   27.374    431.698   42.155    289.076   35.996    56.449  2.7881  46.075  2.9320  10.37359       4.045942 
1 1 1 5   -10 36 o 99.857  2.5428  1369.70   67.727    1328.48   99.501    1405.29   92.448    98.335  3.7777  101.378 3.4046  -3.043129      5.085512 
1 1 1 5   -10 37 o 51.078  2.1022  355.484   28.287    366.968   43.812    347.276   37.042    51.707  3.1788  50.450  2.7516  1.257221       4.204309 
1 1 1 5   -10 38 o 40.861  2.1737  224.970   23.262    259.295   36.994    202.524   29.915    43.344  3.2093  38.377  2.9325  4.966846       4.347327 
1 1 1 5   -10 39 o 50.605  3.3933  356.032   45.727    356.032   45.727    0.0000    0.0000    50.605  3.3933  ?       ?       ?              ?        
1 1 1 5   -10 40 o 40.794  3.6905  235.410   39.888    235.410   39.888    0.0000    0.0000    40.794  3.6905  ?       ?       ?              ?        
1 1 1 5   -10 41 o 29.084  3.0985  119.245   23.766    0.0000    0.0000    119.245   23.766    ?       ?       29.084  3.0985  ?              ?        
1 1 1 5   -10 42 o 14.486  4.1370  31.640    16.849    0.0000    0.0000    31.640    16.849    ?       ?       14.486  4.1370  ?              ?        
1 1 1 5   -10 43 o 24.122  2.9345  80.610    17.499    120.647   30.727    61.389    21.289    28.207  4.1947  20.036  4.1050  8.170479       5.869054 
1 1 1 5   -10 44 o 5.4432  1.9404  -33.4568  10.023    -40.7244  20.025    -31.0274  11.578    6.3781  3.1564  4.5082  2.2576  1.869823       3.880706 
1 1 1 5   -10 45 o 31.998  2.7534  151.108   22.189    178.219   37.993    137.074   27.336    33.673  4.3115  30.323  3.4258  3.350002       5.506815 
1 1 1 5   -10 46 o 9.7151  2.9636  5.2423    13.713    -12.5975  27.238    11.299    15.871    9.4488  4.4032  9.9814  3.9678  -0.5326185     5.927189 
1 1 1 5   -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -10 48 o 10.673  3.0820  -21.4078  13.214    55.841    30.012    -39.9836  14.717    16.421  5.6444  4.9250  2.4769  11.49616       6.163974 
1 1 1 5   -9  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -9  1  o 387.979 10.189  20295.69  1058.51   20950.04  1499.51   19645.78  1494.41   394.250 14.200  381.708 14.617  12.54199       20.37860 
1 1 1 5   -9  2  o 40.806  1.5999  223.904   17.399    212.006   24.621    235.771   24.590    39.716  2.3247  41.897  2.1989  -2.181255      3.199894 
1 1 1 5   -9  3  o 360.676 6.6551  17472.17  642.923   17513.12  909.192   17431.22  909.269   361.100 9.4002  360.252 9.4232  0.8478394      13.31018 
1 1 1 5   -9  4  o 537.079 9.8351  38876.62  1414.81   39087.62  2000.78   38665.60  2000.92   538.546 13.870  535.612 13.947  2.933899       19.67015 
1 1 1 5   -9  5  o 639.214 11.751  55218.88  2011.85   55316.38  2845.02   55121.36  2845.36   639.784 16.602  638.644 16.634  1.139771       23.50127 
1 1 1 5   -9  6  o 534.482 9.8273  38502.45  1406.85   38756.16  1989.58   38248.73  1989.60   536.254 13.852  532.709 13.944  3.544495       19.65456 
1 1 1 5   -9  7  o 555.946 10.184  41675.30  1516.51   41688.75  2144.59   41661.84  2144.73   556.036 14.400  555.855 14.405  0.1808472      20.36819 
1 1 1 5   -9  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -9  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -9  10 o 199.784 3.8335  5350.20   205.128   5425.93   291.125   5275.53   289.076   201.188 5.4024  198.379 5.4404  2.809265       7.667043 
1 1 1 5   -9  11 o 394.691 7.3058  20935.17  772.326   20762.54  1093.23   21107.18  1091.24   393.060 10.384  396.322 10.280  -3.262451      14.61166 
1 1 1 5   -9  12 o 232.770 4.4249  7266.38   275.849   7156.91   390.862   7375.02   389.362   231.021 6.3166  234.520 6.1985  -3.499512      8.849885 
1 1 1 5   -9  13 o 313.229 5.8401  13169.90  489.967   13270.86  693.364   13069.21  692.472   314.430 8.2328  312.027 8.2855  2.402588       11.68029 
1 1 1 5   -9  14 o 267.200 5.0384  9579.11   360.592   9584.72   510.032   9573.50   509.876   267.279 7.1243  267.122 7.1263  0.1567078      10.07673 
1 1 1 5   -9  15 o 179.198 3.5594  4304.88   170.843   4313.72   241.451   4296.03   241.765   179.382 5.0253  179.013 5.0422  0.3686981      7.118801 
1 1 1 5   -9  16 o 130.877 2.8078  2295.64   98.428    2301.37   138.881   2289.86   139.516   131.041 3.9568  130.712 3.9849  0.3287506      5.615689 
1 1 1 5   -9  17 o 131.033 2.7979  2301.34   98.194    2276.26   138.350   2326.80   139.389   130.313 3.9637  131.753 3.9499  -1.439209      5.595741 
1 1 1 5   -9  18 o 132.570 2.8314  2356.38   100.537   2342.55   141.599   2370.44   142.771   132.178 3.9996  132.963 4.0089  -0.7842865     5.662810 
1 1 1 5   -9  19 o 114.555 2.5681  1759.56   78.794    1746.97   110.793   1772.45   112.081   114.141 3.6239  114.969 3.6397  -0.8287430     5.136154 
1 1 1 5   -9  20 f 194.809 3.8516  5101.00   200.973   5073.98   283.545   5128.28   284.897   194.291 5.4486  195.328 5.4455  -1.037186      7.703236 
1 1 1 5   -9  21 o 194.890 3.8651  5109.55   201.757   5113.87   284.678   5105.19   285.982   194.976 5.4511  194.805 5.4809  0.1703796      7.730103 
1 1 1 5   -9  22 f 88.502  3.1667  1054.24   74.916    1076.80   105.789   1031.55   106.105   89.515  4.4122  87.489  4.5435  2.026230       6.333348 
1 1 1 5   -9  23 o 189.264 4.7259  4883.33   225.055   4708.17   388.496   4971.80   276.102   186.393 7.7816  192.134 5.3651  -5.740448      9.451832 
1 1 1 5   -9  24 o 177.624 4.3322  4207.82   195.443   4100.67   239.442   4421.72   338.306   174.492 5.1232  180.757 6.9875  -6.265701      8.664443 
1 1 1 5   -9  25 o 126.317 2.7419  2142.80   92.726    2234.65   132.962   2055.84   129.380   128.953 3.8495  123.680 3.9055  5.272812       5.483762 
1 1 1 5   -9  26 f 166.575 3.4062  3735.81   151.945   3830.81   216.996   3644.43   212.830   168.655 4.8036  164.495 4.8305  4.159256       6.812319 
1 1 1 5   -9  27 o 162.242 3.3346  3543.81   144.864   3667.48   207.204   3425.56   202.610   165.015 4.6880  159.469 4.7435  5.545853       6.669157 
1 1 1 5   -9  28 o 67.360  2.0285  605.032   36.448    686.953   53.887    535.949   49.485    71.538  2.8123  63.182  2.9241  8.355812       4.056981 
1 1 1 5   -9  29 o 91.293  2.3002  1116.76   56.154    1205.62   81.902    1037.94   77.139    94.712  3.2285  87.874  3.2774  6.837532       4.600457 
1 1 1 5   -9  30 o 25.907  2.4387  97.065    15.485    67.617    23.409    119.979   20.649    22.041  4.1166  29.774  2.6158  -7.733345      4.877318 
1 1 1 5   -9  31 o 98.476  2.4512  1307.73   64.538    1298.73   93.956    1315.78   88.802    98.134  3.5745  98.817  3.3551  -0.6828537     4.902404 
1 1 1 5   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -9  33 o 11.350  2.7237  16.313    10.269    5.5717    17.258    22.201    12.777    10.056  4.0884  12.644  3.5998  -2.587902      5.447369 
1 1 1 5   -9  34 o 53.204  2.0327  381.624   28.649    401.826   43.655    366.340   37.970    54.406  3.0073  52.002  2.7356  2.403839       4.065439 
1 1 1 5   -9  35 o 38.740  2.2090  212.396   21.773    171.735   33.722    241.465   28.513    35.294  3.6183  42.187  2.5351  -6.892757      4.418065 
1 1 1 5   -9  36 o 46.004  2.1265  291.913   25.576    273.354   39.364    305.473   33.646    44.622  3.3172  47.385  2.6617  -2.763065      4.253093 
1 1 1 5   -9  37 o 37.028  2.1026  182.271   20.342    226.258   32.380    153.591   26.146    40.617  2.9975  33.439  2.9494  7.178825       4.205219 
1 1 1 5   -9  38 o 27.300  2.3828  99.275    16.630    127.937   27.419    82.598    20.916    30.292  3.4404  24.307  3.2976  5.984236       4.765575 
1 1 1 5   -9  39 o 56.290  3.3935  440.229   50.925    440.229   50.925    0.0000    0.0000    56.290  3.3935  ?       ?       ?              ?        
1 1 1 5   -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -9  41 o 18.528  3.5411  57.467    20.429    15.370    34.252    80.709    25.451    13.702  5.6845  23.354  4.2241  -9.652663      7.082116 
1 1 1 5   -9  42 o 20.230  3.7879  60.610    19.771    0.0000    0.0000    60.610    19.771    ?       ?       20.230  3.7879  ?              ?        
1 1 1 5   -9  43 o 15.344  3.3881  37.234    14.981    34.416    26.735    38.523    18.087    14.929  5.3126  15.760  4.2063  -0.8312283     6.776182 
1 1 1 5   -9  44 o 14.749  3.3253  35.883    14.874    25.826    26.598    40.460    17.942    13.464  5.1995  16.034  4.1468  -2.570162      6.650660 
1 1 1 5   -9  45 o 15.769  3.2447  44.390    16.285    15.291    28.654    58.272    19.792    12.217  5.1431  19.320  3.9576  -7.103303      6.489490 
1 1 1 5   -9  46 o 18.146  3.5651  58.552    17.643    50.800    31.635    62.052    21.255    16.605  5.7900  19.687  4.1610  -3.081881      7.130122 
1 1 1 5   -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -9  48 o 12.445  3.4611  26.615    16.583    20.147    31.060    29.193    19.612    12.026  5.2142  12.865  4.5531  -0.8391876     6.922293 
1 1 1 5   -8  0  o 185.300 3.6462  4602.45   180.971   4593.74   256.225   4611.13   255.638   185.125 5.1673  185.476 5.1458  -0.3507538     7.292488 
1 1 1 5   -8  1  o 264.077 4.9767  9357.33   351.871   9057.27   497.804   9656.96   497.438   259.838 7.1527  268.316 6.9215  -8.478577      9.953308 
1 1 1 5   -8  2  o 522.387 9.6698  36776.90  1352.90   37317.83  1913.85   36236.61  1912.72   526.249 13.578  518.524 13.772  7.725464       19.33961 
1 1 1 5   -8  3  o 381.128 7.0550  19523.83  719.928   20161.27  1018.44   18887.15  1017.83   387.368 9.8157  374.888 10.136  12.48022       14.11010 
1 1 1 5   -8  4  o 82.828  1.9205  919.045   42.604    923.025   60.029    915.006   60.475    83.009  2.6999  82.647  2.7319  0.3616028      3.840919 
1 1 1 5   -8  5  o 340.860 6.3012  15602.79  575.248   15821.55  813.432   15383.93  813.615   343.257 8.8474  338.463 8.9747  4.793457       12.60239 
1 1 1 5   -8  6  o 443.051 8.1739  26407.72  969.986   26243.48  1371.53   26572.07  1372.00   441.667 11.594  444.435 11.525  -2.768311      16.34779 
1 1 1 5   -8  7  o 481.695 8.8632  31239.35  1143.53   31299.75  1617.47   31178.99  1616.93   482.162 12.524  481.227 12.544  0.9350586      17.72631 
1 1 1 5   -8  8  o 361.464 6.6706  17550.48  645.807   17730.23  914.167   17371.40  912.453   363.316 9.3940  359.612 9.4730  3.704315       13.34111 
1 1 1 5   -8  9  o 513.828 9.4741  35586.77  1302.92   33995.96  1842.36   37178.41  1842.84   502.267 13.695  525.389 13.095  -23.12283      18.94818 
1 1 1 5   -8  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -8  11 o 767.452 20.355  81032.74  4181.46   77648.38  5910.99   84422.83  5915.98   750.983 29.386  783.921 28.175  -32.93854      40.71088 
1 1 1 5   -8  12 o 307.615 5.7418  12700.04  473.071   12847.82  669.311   12552.50  668.736   309.407 8.0762  305.823 8.1639  3.583740       11.48365 
1 1 1 5   -8  13 o 280.099 5.2873  10526.44  396.668   10455.88  560.775   10597.10  561.171   279.159 7.4998  281.041 7.4548  -1.882019      10.57455 
1 1 1 5   -8  14 o 320.629 6.0138  13801.96  516.465   13756.30  729.972   13847.72  730.811   320.098 8.5140  321.161 8.4956  -1.063568      12.02762 
1 1 1 5   -8  15 o 170.092 3.4161  3877.90   155.633   3853.29   219.573   3902.75   220.626   169.550 4.8350  170.635 4.8273  -1.085068      6.832221 
1 1 1 5   -8  16 o 159.978 3.2665  3430.55   139.951   3356.75   197.292   3505.28   198.554   158.245 4.6547  161.711 4.5841  -3.465393      6.532972 
1 1 1 5   -8  17 o 166.765 3.3728  3728.83   150.638   3656.82   212.479   3801.60   213.594   165.145 4.8035  168.385 4.7358  -3.240173      6.745528 
1 1 1 5   -8  18 o 50.086  1.8304  336.531   24.494    321.200   34.374    352.346   34.911    48.891  2.6346  51.282  2.5417  -2.390747      3.660754 
1 1 1 5   -8  19 o 164.066 3.3449  3612.57   146.969   3670.95   207.367   3553.64   208.327   165.401 4.6807  162.730 4.7796  2.670975       6.689802 
1 1 1 5   -8  20 o 139.521 2.9652  2612.22   110.810   2598.63   156.199   2625.99   157.224   139.156 4.1907  139.886 4.1962  -0.7301941     5.930462 
1 1 1 5   -8  21 o 210.697 4.1356  5974.51   233.392   5960.01   329.442   5989.13   330.695   210.441 5.8447  210.953 5.8526  -0.5120392     8.271253 
1 1 1 5   -8  22 o 170.872 3.4509  3927.19   157.896   3855.06   224.523   3997.75   222.093   169.309 4.9510  172.434 4.8086  -3.125244      6.901842 
1 1 1 5   -8  23 o 152.396 4.6189  3160.63   186.863   2732.22   267.884   3566.65   260.788   142.159 7.0353  162.634 5.9867  -20.47507      9.237761 
1 1 1 5   -8  24 o 140.317 2.9433  2645.31   110.591   2730.39   158.153   2563.90   154.704   142.527 4.1428  138.108 4.1821  4.418350       5.886631 
1 1 1 5   -8  25 o 221.446 4.3179  6622.45   256.091   6740.02   364.170   6507.43   360.198   223.396 6.0861  219.496 6.1267  3.900833       8.635806 
1 1 1 5   -8  26 o 36.605  2.0283  178.571   19.459    223.430   29.239    142.905   26.072    40.721  2.6960  32.490  3.0310  8.231079       4.056519 
1 1 1 5   -8  27 o 124.537 2.7936  2089.62   92.991    1985.98   133.559   2187.14   129.551   121.514 4.1035  127.560 3.7917  -6.045738      5.587172 
1 1 1 5   -8  28 o 93.085  2.3462  1166.12   58.353    1129.90   84.745    1198.79   80.469    91.696  3.4504  94.475  3.1800  -2.778275      4.692314 
1 1 1 5   -8  29 f 113.844 2.6021  1741.77   79.296    1796.31   114.687   1691.82   109.757   115.546 3.7057  112.142 3.6541  3.403801       5.204274 
1 1 1 5   -8  30 o 112.547 2.5676  1701.19   77.211    1878.29   112.190   1541.83   106.424   118.111 3.5463  106.982 3.7140  11.12813       5.135152 
1 1 1 5   -8  31 o 84.773  2.2843  966.412   51.757    990.087   76.088    946.024   70.609    85.725  3.3137  83.821  3.1450  1.904442       4.568556 
1 1 1 5   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -8  33 o 55.170  2.1111  416.295   30.674    377.221   45.983    447.622   41.173    52.715  3.2728  57.625  2.6675  -4.910023      4.222199 
1 1 1 5   -8  34 o 53.695  2.0517  385.025   29.160    443.332   44.797    342.157   38.411    57.170  2.9354  50.221  2.8674  6.949009       4.103477 
1 1 1 5   -8  35 o 9.0435  2.4984  3.2696    10.026    -15.0097  16.010    15.065    12.860    7.2037  3.3632  10.883  3.6956  -3.679605      4.996878 
1 1 1 5   -8  36 o 34.854  2.1293  161.076   19.348    201.481   30.864    134.917   24.833    38.356  3.0288  31.351  2.9937  7.005690       4.258613 
1 1 1 5   -8  37 o 12.372  2.1013  -0.6904   10.040    55.072    17.396    -28.5407  12.294    19.778  3.4068  4.9671  2.4608  14.81064       4.202600 
1 1 1 5   -8  38 o 17.616  2.9715  41.472    13.572    61.739    22.863    30.445    16.864    20.664  4.2719  14.568  4.1315  6.096595       5.942914 
1 1 1 5   -8  39 o 9.2707  2.7033  3.0722    11.468    -14.3925  19.935    11.709    14.019    8.2887  3.8294  10.253  3.8166  -1.963885      5.406558 
1 1 1 5   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -8  41 o 31.085  5.3883  148.990   43.238    148.990   43.238    0.0000    0.0000    31.085  5.3883  ?       ?       ?              ?        
1 1 1 5   -8  42 o 20.520  3.7366  62.237    19.780    0.0000    0.0000    62.237    19.780    ?       ?       20.520  3.7366  ?              ?        
1 1 1 5   -8  43 o 25.116  3.8941  64.972    19.095    186.116   54.524    48.037    20.386    32.708  6.4529  17.523  4.3608  15.18435       7.788209 
1 1 1 5   -8  44 o 12.357  3.3521  18.404    14.202    29.240    27.108    14.305    16.673    13.960  5.2840  10.753  4.1262  3.207216       6.704157 
1 1 1 5   -8  45 o 15.006  3.5564  32.887    15.553    52.382    29.396    25.309    18.328    17.209  5.5803  12.804  4.4104  4.405146       7.112710 
1 1 1 5   -8  46 o 26.259  3.3781  109.769   21.444    127.986   38.533    101.595   25.810    26.963  5.5212  25.555  3.8938  1.408785       6.756112 
1 1 1 5   -8  47 o 11.590  4.7693  17.464    23.842    0.0000    0.0000    17.464    23.842    ?       ?       11.590  4.7693  ?              ?        
1 1 1 5   -8  48 o 11.691  3.3947  21.234    16.353    16.527    31.198    23.016    19.202    11.633  5.1301  11.749  4.4472  -0.1164722     6.789305 
1 1 1 5   -7  0  o 150.776 3.1050  3047.43   125.318   3181.04   177.603   2914.94   176.853   154.071 4.3037  147.482 4.4770  6.588608       6.210074 
1 1 1 5   -7  1  o 455.594 8.3889  27934.50  1023.51   27328.22  1447.40   28540.89  1447.53   450.625 11.992  460.562 11.734  -9.937286      16.77772 
1 1 1 5   -7  2  o 270.620 5.1251  9825.81   371.495   9793.81   525.374   9857.82   525.373   270.179 7.2599  271.062 7.2362  -0.8830566     10.25028 
1 1 1 5   -7  3  o 184.518 3.5589  4563.71   175.891   4554.71   248.491   4572.75   249.004   184.336 5.0328  184.700 5.0333  -0.3645782     7.117803 
1 1 1 5   -7  4  o 56.048  1.5830  420.901   23.758    428.572   33.430    413.073   33.772    56.565  2.2065  55.532  2.2705  1.032490       3.166004 
1 1 1 5   -7  5  o 407.694 7.5113  22347.47  820.202   22564.35  1159.96   22130.61  1159.92   409.680 10.571  405.709 10.674  3.971832       15.02250 
1 1 1 5   -7  6  o 176.019 3.4085  4153.51   160.653   4042.40   227.323   4264.38   227.073   173.665 4.8870  178.373 4.7528  -4.708450      6.817021 
1 1 1 5   -7  7  o 338.392 6.2859  15378.68  569.684   15135.46  806.197   15621.24  805.114   335.711 8.9657  341.072 8.8130  -5.360840      12.57189 
1 1 1 5   -7  8  o 241.469 4.5727  7821.59   295.675   7646.15   419.001   7995.61   417.300   238.767 6.5517  244.171 6.3806  -5.404510      9.145329 
1 1 1 5   -7  9  o 744.234 13.696  75120.45  2730.12   74483.23  3861.31   75757.45  3860.65   741.038 19.454  747.431 19.284  -6.393799      27.39212 
1 1 1 5   -7  10 o 167.929 3.3370  3779.45   150.096   3799.94   212.543   3759.07   211.992   168.383 4.7126  167.475 4.7259  0.9082336      6.674016 
1 1 1 5   -7  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -7  12 o 436.704 8.0652  25649.21  943.314   26008.18  1333.99   25290.17  1334.11   439.773 11.325  433.634 11.486  6.138550       16.13032 
1 1 1 5   -7  13 o 410.238 7.5836  22622.41  833.282   22437.82  1177.86   22807.37  1179.02   408.557 10.763  411.919 10.686  -3.361633      15.16724 
1 1 1 5   -7  14 o 244.608 4.6654  8025.08   305.651   8113.42   431.884   7936.43   432.630   245.959 6.5557  243.257 6.6399  2.701981       9.330862 
1 1 1 5   -7  15 o 175.159 3.5070  4112.48   164.529   4059.71   232.236   4165.65   233.124   174.030 4.9821  176.288 4.9371  -2.257629      7.014061 
1 1 1 5   -7  16 o 224.342 4.3303  6750.83   260.197   6817.27   367.606   6684.12   368.343   225.451 6.0875  223.234 6.1603  2.216537       8.660695 
1 1 1 5   -7  17 o 176.152 3.5357  4161.09   166.801   4226.44   235.518   4095.32   236.268   177.542 4.9526  174.762 5.0474  2.779694       7.071404 
1 1 1 5   -7  18 o 234.457 4.5260  7381.07   284.194   7236.50   401.256   7526.58   402.569   232.148 6.4531  236.765 6.3480  -4.617355      9.052004 
1 1 1 5   -7  19 o 145.928 3.0574  2856.35   119.470   2767.29   168.248   2946.93   169.673   143.631 4.3733  148.225 4.2737  -4.594086      6.114772 
1 1 1 5   -7  20 o 167.242 3.3384  3756.11   149.329   4022.25   212.667   3497.28   209.729   173.099 4.5869  161.385 4.8518  11.71336       6.676798 
1 1 1 5   -7  21 o 204.278 4.0555  5623.72   221.438   5230.62   314.204   6011.65   312.128   197.138 5.9505  211.419 5.5119  -14.28046      8.111051 
1 1 1 5   -7  22 f 155.793 3.2082  3261.18   133.861   3307.19   190.841   3216.62   187.812   156.874 4.5419  154.712 4.5322  2.161774       6.416356 
1 1 1 5   -7  23 o 119.985 3.6981  1934.29   118.733   2046.00   172.168   1832.98   163.961   123.284 5.2138  116.686 5.2460  6.598015       7.396265 
1 1 1 5   -7  24 o 117.042 2.6900  1846.69   84.018    1694.30   120.261   1991.99   117.429   112.290 3.9985  121.794 3.5996  -9.504135      5.380079 
1 1 1 5   -7  25 o 129.627 2.8636  2266.33   99.074    2084.95   141.811   2439.27   138.472   124.519 4.2519  134.735 3.8370  -10.21609      5.727255 
1 1 1 5   -7  26 o 135.206 2.8965  2455.63   104.753   2641.61   150.527   2280.99   145.869   140.177 4.0091  130.236 4.1816  9.940872       5.792984 
1 1 1 5   -7  27 o 36.473  2.1107  184.296   19.876    150.676   29.740    211.431   26.719    33.324  3.3786  39.621  2.5309  -6.296463      4.221413 
1 1 1 5   -7  28 o 115.462 2.6377  1791.99   81.516    1805.42   117.729   1779.63   112.981   115.869 3.7934  115.055 3.6662  0.8147736      5.275449 
1 1 1 5   -7  29 o 83.518  2.2303  933.852   49.799    999.926   73.134    876.731   67.999    86.261  3.1653  80.774  3.1430  5.486511       4.460639 
1 1 1 5   -7  30 o 140.930 3.0019  2677.32   113.236   2813.23   163.265   2551.33   157.188   144.378 4.2218  137.482 4.2686  6.896423       6.003739 
1 1 1 5   -7  31 o 60.351  2.1001  487.390   33.756    528.182   50.618    454.719   45.300    62.642  3.0168  58.060  2.9223  4.582695       4.200130 
1 1 1 5   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -7  33 o 44.344  2.0106  262.776   23.565    295.780   36.230    238.578   31.023    46.722  2.9095  41.966  2.7756  4.756020       4.021148 
1 1 1 5   -7  34 o 82.260  2.2719  914.656   49.882    951.767   74.268    884.156   67.328    83.744  3.3110  80.777  3.1119  2.967072       4.543851 
1 1 1 5   -7  35 o 25.571  2.3586  90.740    15.398    89.151    24.337    91.801    19.884    25.288  3.7028  25.855  2.9226  -0.5675697     4.717251 
1 1 1 5   -7  36 o 18.856  2.8450  54.064    13.577    37.864    22.285    63.627    17.122    16.307  4.7879  21.406  3.0746  -5.098883      5.690042 
1 1 1 5   -7  37 o 30.328  2.2622  123.171   17.780    149.963   28.582    106.257   22.709    32.935  3.2837  27.720  3.1123  5.214840       4.524302 
1 1 1 5   -7  38 o 31.427  2.4710  142.439   19.347    120.106   31.061    156.596   24.730    29.088  4.1005  33.766  2.7584  -4.677916      4.941940 
1 1 1 5   -7  39 o 10.501  2.7227  9.6777    11.889    -18.5879  20.803    23.387    14.488    8.1617  3.8181  12.840  3.8826  -4.677855      5.445446 
1 1 1 5   -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -7  41 o 12.780  5.3009  12.608    29.776    12.608    29.776    0.0000    0.0000    12.780  5.3009  ?       ?       ?              ?        
1 1 1 5   -7  42 o 13.450  4.3008  26.898    17.508    0.0000    0.0000    26.898    17.508    ?       ?       13.450  4.3008  ?              ?        
1 1 1 5   -7  43 o 9.1504  3.2010  -16.1531  12.067    -9.7417   44.781    -16.6551  12.531    12.517  5.7677  5.7835  2.7784  6.733835       6.401982 
1 1 1 5   -7  44 o 15.563  3.5368  36.728    15.511    49.418    29.054    31.668    18.344    16.966  5.5501  14.159  4.3856  2.806817       7.073694 
1 1 1 5   -7  45 o 22.309  3.4673  94.985    19.737    51.590    35.864    113.839   23.639    16.841  6.1324  27.778  3.2379  -10.93735      6.934679 
1 1 1 5   -7  46 o 15.531  3.7137  39.059    17.128    53.673    31.577    32.966    20.388    16.965  5.7908  14.097  4.6511  2.867955       7.427392 
1 1 1 5   -7  47 o 13.232  3.5958  28.495    16.598    31.412    32.774    27.488    19.249    13.632  5.5985  12.833  4.5141  0.7988405      7.191686 
1 1 1 5   -6  0  o 340.179 6.3518  15542.76  578.744   15433.47  818.660   15651.95  818.274   338.980 9.0166  341.378 8.9490  -2.398254      12.70365 
1 1 1 5   -6  1  o 237.762 4.5522  7582.73   289.880   7472.53   410.230   7692.63   409.675   236.034 6.4888  239.490 6.3865  -3.456696      9.104490 
1 1 1 5   -6  2  o 146.809 2.9786  2889.77   117.042   3016.62   165.497   2762.84   165.547   150.036 4.1182  143.583 4.3046  6.453659       5.957250 
1 1 1 5   -6  3  o 275.988 5.1588  10220.81  381.356   10211.67  539.035   10229.98  539.603   275.865 7.2951  276.112 7.2963  -0.2471008     10.31765 
1 1 1 5   -6  4  o 366.290 6.7735  18028.48  664.547   18026.11  939.620   18030.86  940.002   366.266 9.5778  366.314 9.5805  -0.4785156E-01 13.54696 
1 1 1 5   -6  5  o 257.623 4.8626  8905.63   335.419   8634.55   474.341   9176.74   474.369   253.694 6.9806  261.551 6.7713  -7.857361      9.725147 
1 1 1 5   -6  6  o 173.300 3.3970  4025.54   157.677   4009.18   223.730   4041.69   222.255   172.949 4.8297  173.650 4.7784  -0.7012939     6.794058 
1 1 1 5   -6  7  o 250.342 4.7392  8409.93   317.607   8106.15   449.885   8711.77   448.445   245.825 6.8326  254.858 6.5693  -9.033081      9.478437 
1 1 1 5   -6  8  o 674.926 12.435  61660.25  2247.80   61005.07  3178.77   62315.51  3178.98   671.302 17.679  678.550 17.491  -7.248413      24.86919 
1 1 1 5   -6  9  o 603.331 11.100  49160.57  1793.63   48504.69  2535.96   49817.09  2537.19   599.271 15.799  607.390 15.595  -8.118713      22.19966 
1 1 1 5   -6  10 o 50.245  1.7119  339.073   22.958    358.646   32.313    319.122   32.624    51.744  2.3315  48.745  2.5072  2.999584       3.423707 
1 1 1 5   -6  11 o 458.457 11.991  28418.14  1472.06   27623.07  2079.17   29217.28  2084.47   451.971 17.175  464.943 16.738  -12.97147      23.98202 
1 1 1 5   -6  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -6  13 o 156.480 3.1975  3281.36   134.016   3256.47   189.206   3306.43   189.850   155.884 4.5315  157.076 4.5125  -1.191559      6.395077 
1 1 1 5   -6  14 o 214.023 4.1526  6141.48   238.052   6153.76   336.326   6129.15   336.987   214.238 5.8610  213.809 5.8843  0.4297791      8.305259 
1 1 1 5   -6  15 o 269.481 5.1148  9743.57   369.175   9816.95   521.714   9669.97   522.471   270.499 7.2007  268.462 7.2659  2.036987       10.22957 
1 1 1 5   -6  16 o 86.169  2.1913  994.785   50.571    996.726   71.155    992.804   71.887    86.254  3.0799  86.083  3.1178  0.1702499      4.382504 
1 1 1 5   -6  17 o 240.101 4.6249  7740.63   297.203   7411.93   421.061   8067.00   419.559   235.007 6.6892  245.195 6.3884  -10.18773      9.249719 
1 1 1 5   -6  18 o 125.885 2.6950  2126.83   90.432    2399.75   129.286   1865.39   126.537   133.807 3.6073  117.962 4.0049  15.84563       5.389957 
1 1 1 5   -6  19 o 185.623 3.6340  4624.71   180.554   4855.33   256.842   4399.39   253.867   190.206 5.0414  181.040 5.2353  9.165695       7.268038 
1 1 1 5   -6  20 o 167.363 3.4463  3770.67   154.020   3455.08   218.895   4080.12   216.757   160.389 5.0953  174.337 4.6419  -13.94751      6.892694 
1 1 1 5   -6  21 o 104.610 2.4234  1467.35   67.885    1494.40   97.399    1441.79   94.666    105.547 3.4453  103.674 3.4091  1.872772       4.846817 
1 1 1 5   -6  22 o 197.583 4.7621  5228.43   238.501   5147.40   292.237   5390.03   412.717   195.541 5.5797  199.625 7.7188  -4.084122      9.524297 
1 1 1 5   -6  23 o 133.589 2.8957  2398.17   103.569   2374.98   148.190   2420.31   144.807   132.951 4.1614  134.228 4.0277  -1.276550      5.791331 
1 1 1 5   -6  24 o 25.963  1.9626  91.657    13.346    89.512    19.894    93.411    17.996    25.662  2.9479  26.265  2.5918  -0.6025715     3.925261 
1 1 1 5   -6  25 o 167.893 3.3745  3801.99   150.609   4409.52   215.784   3224.90   210.307   181.053 4.4496  154.732 5.0744  26.32091       6.748981 
1 1 1 5   -6  26 o 167.169 3.3856  3760.71   151.531   3917.12   216.873   3611.51   211.812   170.571 4.7469  163.767 4.8288  6.804031       6.771288 
1 1 1 5   -6  27 o 111.758 2.5684  1676.05   76.831    1742.32   111.154   1615.42   106.319   113.869 3.6444  109.647 3.6201  4.222847       5.136856 
1 1 1 5   -6  28 o 26.305  2.2551  92.152    15.336    115.585   23.672    75.202    20.133    29.178  3.0753  23.432  3.2993  5.745804       4.510258 
1 1 1 5   -6  29 o 194.222 3.8937  5106.16   202.492   5062.40   289.326   5148.16   283.497   193.377 5.5859  195.067 5.4259  -1.690186      7.787361 
1 1 1 5   -6  30 o 45.647  2.0225  281.124   24.424    281.469   36.822    280.853   32.636    45.652  3.0285  45.643  2.6813  0.8930206E-02  4.044919 
1 1 1 5   -6  31 o 71.410  2.1957  689.831   41.696    656.992   61.928    717.065   56.395    69.822  3.3114  72.999  2.8843  -3.177376      4.391375 
1 1 1 5   -6  32 o 70.249  3.9968  670.851   74.892    0.0000    0.0000    670.851   74.892    ?       ?       70.249  3.9968  ?              ?        
1 1 1 5   -6  33 o 46.472  2.0581  289.841   25.266    313.938   38.914    272.279   33.221    48.107  3.0356  44.836  2.7800  3.270741       4.116206 
1 1 1 5   -6  34 o 58.677  2.1184  467.716   32.881    461.702   49.997    472.299   43.649    58.251  3.2169  59.102  2.7573  -0.8517532     4.236881 
1 1 1 5   -6  35 o 44.388  2.0817  267.064   24.289    277.809   37.808    259.514   31.694    45.091  3.1502  43.685  2.7222  1.405663       4.163455 
1 1 1 5   -6  36 o 23.716  2.5181  77.385    15.072    84.059    24.751    73.452    19.001    24.429  3.9149  23.002  3.1681  1.426296       5.036182 
1 1 1 5   -6  37 o 41.491  2.2342  239.052   23.986    226.022   37.876    247.776   30.993    40.395  3.5362  42.586  2.7315  -2.190987      4.468345 
1 1 1 5   -6  38 o 47.008  2.2155  303.706   27.177    309.658   43.071    299.769   35.031    47.259  3.4258  46.756  2.8103  0.5034065      4.431012 
1 1 1 5   -6  39 o 25.190  2.7322  90.569    17.125    91.080    28.456    90.279    21.443    25.015  4.4080  25.365  3.2294  -0.3500671     5.464373 
1 1 1 5   -6  40 o 18.877  5.3503  54.749    28.291    54.749    28.291    0.0000    0.0000    18.877  5.3503  ?       ?       ?              ?        
1 1 1 5   -6  41 o 21.097  6.1088  72.756    36.503    72.756    36.503    0.0000    0.0000    21.097  6.1088  ?       ?       ?              ?        
1 1 1 5   -6  42 o 26.388  3.3711  100.779   23.282    0.0000    0.0000    100.779   23.282    ?       ?       26.388  3.3711  ?              ?        
1 1 1 5   -6  43 o 18.613  4.2073  53.202    18.259    67.737    53.413    51.279    19.429    18.994  7.3591  18.233  4.0803  0.7615852      8.414586 
1 1 1 5   -6  44 o 16.153  3.4895  43.986    16.121    36.189    30.213    47.090    19.062    15.012  5.6000  17.294  4.1648  -2.281672      6.978977 
1 1 1 5   -6  45 o 13.585  3.4826  28.786    15.802    25.755    28.609    30.117    18.956    13.433  5.3311  13.738  4.4825  -0.3050318     6.965166 
1 1 1 5   -6  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -6  47 o 8.7736  2.8885  -8.0096   14.049    2.8669    27.997    -11.6702  16.242    10.452  4.7161  7.0947  3.3364  3.357791       5.776981 
1 1 1 5   -5  0  o 257.470 4.8782  8894.73   336.352   9102.31   476.102   8687.90   475.247   260.474 6.8241  254.466 6.9727  6.008377       9.756385 
1 1 1 5   -5  1  f 180.038 3.5395  4347.56   170.549   4151.13   241.306   4543.62   241.081   175.969 5.1197  184.108 4.8888  -8.139114      7.078952 
1 1 1 5   -5  2  o 196.931 3.7823  5200.08   199.483   5287.93   281.910   5111.98   282.313   198.599 5.2996  195.263 5.3979  3.335922       7.564573 
1 1 1 5   -5  3  o 218.493 4.1318  6402.22   241.788   6488.42   341.758   6315.84   342.121   219.968 5.8006  217.019 5.8856  2.949249       8.263611 
1 1 1 5   -5  4  o 334.804 6.2275  15056.70  558.440   14899.49  789.840   15213.83  789.668   333.052 8.8540  336.557 8.7599  -3.505432      12.45504 
1 1 1 5   -5  5  o 83.402  1.9787  931.517   44.193    947.561   63.293    916.253   61.734    84.103  2.8097  82.702  2.7869  1.400864       3.957414 
1 1 1 5   -5  6  o 221.559 4.2227  6582.60   250.590   6624.69   355.132   6540.87   353.648   222.265 5.9653  220.854 5.9783  1.411163       8.445381 
1 1 1 5   -5  7  o 233.204 4.4416  7293.68   277.428   7231.05   392.358   7356.31   392.327   232.201 6.3085  234.206 6.2540  -2.005402      8.883172 
1 1 1 5   -5  8  o 338.655 6.3128  15401.79  572.619   15415.63  809.522   15387.92  810.090   338.808 8.9204  338.502 8.9348  0.3061523      12.62554 
1 1 1 5   -5  9  o 525.198 9.6585  37183.51  1358.32   38203.06  1921.48   36165.07  1920.43   532.440 13.473  517.955 13.843  14.48553       19.31706 
1 1 1 5   -5  10 o 229.013 4.3974  7033.50   269.718   7137.04   381.283   6929.79   381.594   230.702 6.1703  227.323 6.2671  3.378891       8.794864 
1 1 1 5   -5  11 o 685.758 12.655  63656.79  2323.74   61699.86  3284.53   65617.87  3288.00   675.096 18.164  696.419 17.627  -21.32306      25.31095 
1 1 1 5   -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -5  13 o 389.506 7.2284  20386.08  754.105   20568.06  1066.25   20203.95  1066.68   391.252 10.175  387.761 10.270  3.490479       14.45679 
1 1 1 5   -5  14 o 312.957 5.8387  13145.66  489.431   13159.73  693.075   13131.66  691.250   313.124 8.2637  312.791 8.2507  0.3330688      11.67748 
1 1 1 5   -5  15 o 86.206  2.2609  1009.05   51.310    802.940   73.126    1208.93   72.013    77.414  3.5267  94.997  2.8302  -17.58336      4.521869 
1 1 1 5   -5  16 o 190.858 3.7575  4885.91   191.996   4738.12   272.471   5031.66   270.587   187.987 5.4113  193.730 5.2146  -5.743378      7.514951 
1 1 1 5   -5  17 o 307.509 5.7431  12705.21  472.831   13176.87  670.285   12238.04  667.094   313.206 7.9899  301.812 8.2520  11.39377       11.48626 
1 1 1 5   -5  18 o 393.052 7.3466  20828.57  773.410   20666.50  1094.91   20989.97  1092.62   391.513 10.441  394.591 10.338  -3.078003      14.69315 
1 1 1 5   -5  19 o 190.936 3.7944  4897.32   193.921   4717.94   275.403   5073.72   273.103   187.456 5.4850  194.417 5.2445  -6.960648      7.588845 
1 1 1 5   -5  20 o 26.917  1.8097  96.856    12.696    121.605   19.014    76.946    17.054    30.029  2.3835  23.805  2.7237  6.224606       3.619376 
1 1 1 5   -5  21 o 239.900 4.6274  7753.92   297.333   7811.79   422.124   7696.92   418.881   240.788 6.5451  239.012 6.5431  1.776428       9.254745 
1 1 1 5   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -5  23 o 260.781 5.0519  9205.00   352.429   8712.17   499.853   9692.18   496.979   253.759 7.3541  267.804 6.9284  -14.04463      10.10375 
1 1 1 5   -5  24 o 70.516  2.0257  666.465   38.208    678.164   55.726    656.087   52.487    71.097  2.9263  69.935  2.8020  1.161644       4.051444 
1 1 1 5   -5  25 o 214.326 4.2360  6203.92   243.060   6048.24   345.873   6355.83   341.644   211.636 6.1015  217.015 5.8775  -5.379211      8.471946 
1 1 1 5   -5  26 o 64.095  2.0765  550.648   35.562    560.224   52.354    542.444   48.456    64.608  3.0253  63.582  2.8453  1.025612       4.153084 
1 1 1 5   -5  27 o 102.560 2.4923  1417.16   68.254    1345.18   98.837    1482.78   94.369    100.049 3.6882  105.072 3.3532  -5.023727      4.984655 
1 1 1 5   -5  28 o 87.963  2.2858  1038.51   53.768    1054.64   78.549    1024.30   73.756    88.598  3.3100  87.327  3.1533  1.270790       4.571539 
1 1 1 5   -5  29 o 116.874 2.6795  1839.44   83.773    1826.11   121.332   1851.59   115.807   116.453 3.8899  117.295 3.6861  -0.8422546     5.358934 
1 1 1 5   -5  30 o 89.191  2.3492  1072.02   55.940    1055.50   82.140    1086.31   76.395    88.529  3.4640  89.853  3.1743  -1.323151      4.698444 
1 1 1 5   -5  31 o 97.153  3.0180  1255.40   75.159    1203.38   92.748    1354.90   128.271   94.411  3.6677  99.895  4.7939  -5.484398      6.036043 
1 1 1 5   -5  32 f 59.580  2.1349  483.805   33.575    446.516   50.343    513.679   45.061    57.407  3.2877  61.753  2.7243  -4.345665      4.269758 
1 1 1 5   -5  33 o 53.532  2.1291  392.925   29.930    355.799   45.267    421.763   39.896    51.149  3.3221  55.914  2.6639  -4.765190      4.258270 
1 1 1 5   -5  34 f 58.755  2.1357  468.916   33.174    466.230   50.653    470.933   43.897    58.511  3.2448  59.000  2.7778  -0.4886246     4.271387 
1 1 1 5   -5  35 o 47.718  2.1247  309.397   26.649    317.662   41.447    303.573   34.795    48.195  3.2295  47.242  2.7618  0.9529381      4.249362 
1 1 1 5   -5  36 o 36.633  2.1785  182.964   20.800    190.566   32.894    177.899   26.850    37.191  3.3376  36.075  2.8007  1.115631       4.357019 
1 1 1 5   -5  37 o 29.275  2.3771  117.655   17.825    125.363   28.986    112.967   22.605    29.939  3.6930  28.612  2.9939  1.326336       4.754112 
1 1 1 5   -5  38 o 25.460  2.8135  98.052    17.192    73.529    28.109    112.705   21.729    22.361  4.8340  28.558  2.8800  -6.197254      5.626945 
1 1 1 5   -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -5  40 o 17.523  5.3241  46.870    27.196    46.870    27.196    0.0000    0.0000    17.523  5.3241  ?       ?       ?              ?        
1 1 1 5   -5  41 o 13.150  5.3753  16.243    30.034    16.243    30.034    0.0000    0.0000    13.150  5.3753  ?       ?       ?              ?        
1 1 1 5   -5  42 o 17.218  4.0141  45.106    18.171    0.0000    0.0000    45.106    18.171    ?       ?       17.218  4.0141  ?              ?        
1 1 1 5   -5  43 o 13.886  4.0339  23.121    16.850    13.108    58.768    24.018    17.588    15.068  6.8125  12.704  4.3218  2.363623       8.067721 
1 1 1 5   -5  44 o 27.969  3.2774  129.415   21.550    107.804   37.319    140.227   26.396    24.977  5.7035  30.961  3.2306  -5.983459      6.554857 
1 1 1 5   -5  45 o 24.698  3.5126  101.863   20.727    99.243    37.704    102.998   24.812    23.329  6.0001  26.067  3.6542  -2.737936      7.025243 
1 1 1 5   -5  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -5  47 o 16.402  3.4617  55.619    18.541    22.528    35.601    67.935    21.719    12.653  5.5327  20.150  4.1620  -7.496527      6.923422 
1 1 1 5   -4  0  o 327.085 6.1182  14370.61  536.010   14353.06  758.282   14388.13  757.784   326.885 8.6606  327.286 8.6443  -0.4009399     12.23639 
1 1 1 5   -4  1  o 143.617 2.9340  2764.22   112.864   2776.08   159.719   2752.39   159.510   143.925 4.1431  143.309 4.1555  0.6156769      5.868048 
1 1 1 5   -4  2  o 222.270 4.2032  6625.79   250.238   6619.99   353.513   6631.61   354.268   222.173 5.9405  222.367 5.9480  -0.1945648     8.406481 
1 1 1 5   -4  3  o 184.066 3.5675  4542.07   175.881   4527.47   248.964   4556.62   248.503   183.771 5.0579  184.362 5.0323  -0.5915527     7.134902 
1 1 1 5   -4  4  o 45.930  1.5444  282.721   18.974    279.613   27.485    285.550   26.225    45.688  2.2459  46.171  2.1206  -0.4830360     3.088888 
1 1 1 5   -4  5  o 302.249 5.6474  12264.84  457.179   12142.02  646.739   12387.51  646.357   300.733 8.0290  303.766 7.9441  -3.032776      11.29482 
1 1 1 5   -4  6  f 195.848 3.8327  5142.45   201.056   5133.87   284.075   5151.06   284.599   195.684 5.4198  196.012 5.4208  -0.3272858     7.665487 
1 1 1 5   -4  7  o 218.391 4.1940  6395.98   245.294   6261.54   346.590   6530.89   347.206   216.089 5.9882  220.693 5.8737  -4.604156      8.387984 
1 1 1 5   -4  8  o 275.237 5.2028  10164.53  383.560   10123.19  542.182   10205.94  542.688   274.676 7.3695  275.798 7.3463  -1.122040      10.40564 
1 1 1 5   -4  9  o 332.329 6.2125  14830.15  552.999   14758.68  781.735   14901.73  782.382   331.526 8.8034  333.133 8.7682  -1.606262      12.42509 
1 1 1 5   -4  10 o 204.704 3.9841  5620.01   218.329   5828.75   308.646   5410.95   308.880   208.514 5.5263  200.894 5.7403  7.620239       7.968129 
1 1 1 5   -4  11 o 340.148 6.2909  15538.17  572.937   16062.46  811.430   15016.90  809.085   345.884 8.7585  334.411 9.0329  11.47354       12.58190 
1 1 1 5   -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -4  13 o 119.179 2.6068  1904.00   83.172    1854.68   118.438   1951.98   116.824   117.654 3.7583  120.703 3.6135  -3.048973      5.213631 
1 1 1 5   -4  14 o 659.624 12.104  58824.78  2138.06   60257.61  3025.80   57395.97  3021.55   667.718 16.918  651.530 17.314  16.18811       24.20779 
1 1 1 5   -4  15 o 121.606 2.6430  1987.50   85.343    2323.12   122.097   1666.88   119.338   131.679 3.4618  111.533 3.9947  20.14632       5.285982 
1 1 1 5   -4  16 o 158.509 3.2029  3367.56   135.880   3543.63   193.406   3195.95   190.944   162.602 4.4407  154.415 4.6167  8.187439       6.405749 
1 1 1 5   -4  17 o 270.080 5.1083  9793.40   369.475   10029.89  523.923   9559.43   521.121   273.330 7.1564  266.830 7.2915  6.499756       10.21659 
1 1 1 5   -4  18 o 361.374 6.7622  17594.51  654.421   17248.33  926.570   17939.08  924.415   357.803 9.6682  364.945 9.4569  -7.141266      13.52434 
1 1 1 5   -4  19 o 151.145 3.0919  3063.84   125.151   3138.44   178.453   2991.63   175.562   152.956 4.3558  149.334 4.3892  3.622238       6.183703 
1 1 1 5   -4  20 o 95.506  2.2914  1221.67   58.576    1285.73   84.356    1162.01   81.399    97.922  3.2162  93.090  3.2646  4.832031       4.582750 
1 1 1 5   -4  21 o 21.982  2.0391  68.142    11.258    51.678    16.679    81.918    15.258    19.354  3.3381  24.611  2.3428  -5.256895      4.078186 
1 1 1 5   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -4  23 o 120.183 2.6696  1939.51   85.899    1944.58   123.386   1934.74   119.660   120.330 3.8282  120.035 3.7218  0.2957230      5.339227 
1 1 1 5   -4  24 o 150.676 3.1357  3051.22   126.506   3166.06   181.190   2941.99   176.706   153.444 4.4085  147.908 4.4604  5.536453       6.271387 
1 1 1 5   -4  25 o 103.397 2.4477  1433.43   67.737    1494.88   98.142    1377.52   93.607    105.510 3.4727  101.285 3.4505  4.224731       4.895469 
1 1 1 5   -4  26 o 50.777  2.0551  349.546   27.598    323.214   40.753    371.850   37.507    48.972  3.1232  52.582  2.6719  -3.609943      4.110151 
1 1 1 5   -4  27 o 91.592  2.3521  1129.68   57.507    1083.50   83.802    1170.77   79.060    89.806  3.4839  93.378  3.1610  -3.572639      4.704148 
1 1 1 5   -4  28 o 47.428  2.0917  309.986   25.806    255.820   38.581    353.836   34.713    43.505  3.3363  51.351  2.5238  -7.845806      4.183371 
1 1 1 5   -4  29 o 46.573  2.0667  295.552   25.257    272.792   38.313    313.043   33.588    44.931  3.2046  48.214  2.6106  -3.283119      4.133319 
1 1 1 5   -4  30 o 81.963  2.2624  898.749   49.515    983.086   73.511    828.708   66.992    85.460  3.2115  78.466  3.1875  6.993500       4.524766 
1 1 1 5   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -4  32 o 65.896  2.1153  581.475   37.161    631.451   55.966    542.067   49.697    68.398  3.0548  63.393  2.9268  5.005432       4.230664 
1 1 1 5   -4  33 o 65.206  2.1777  577.468   37.623    565.000   56.767    587.234   50.242    64.487  3.2975  65.925  2.8453  -1.438599      4.355397 
1 1 1 5   -4  34 f 72.415  2.2186  708.136   42.786    745.814   64.670    678.804   57.060    74.081  3.2592  70.750  3.0111  3.330925       4.437210 
1 1 1 5   -4  35 o 32.495  2.4142  153.210   19.363    116.629   30.555    177.757   25.029    28.854  4.0665  36.136  2.6034  -7.282961      4.828413 
1 1 1 5   -4  36 o 48.201  2.1567  316.898   27.290    324.443   42.584    311.640   35.550    48.603  3.2905  47.799  2.7889  0.8045387      4.313342 
1 1 1 5   -4  37 o 26.302  2.5333  94.869    16.925    106.103   27.827    88.273    21.323    27.425  3.8979  25.178  3.2368  2.246525       5.066567 
1 1 1 5   -4  38 o 54.637  2.2246  406.130   31.931    446.336   50.537    379.415   41.195    56.758  3.3390  52.515  2.9405  4.242287       4.449164 
1 1 1 5   -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -4  40 o 38.435  3.9699  212.929   40.280    212.929   40.280    0.0000    0.0000    38.435  3.9699  ?       ?       ?              ?        
1 1 1 5   -4  41 o 38.433  5.2858  229.203   52.972    229.203   52.972    0.0000    0.0000    38.433  5.2858  ?       ?       ?              ?        
1 1 1 5   -4  42 o 29.696  3.2597  127.301   25.501    0.0000    0.0000    127.301   25.501    ?       ?       29.696  3.2597  ?              ?        
1 1 1 5   -4  43 o 13.085  3.9330  14.591    16.017    30.136    50.290    12.836    16.896    15.585  6.6954  10.585  4.1284  5.000007       7.865917 
1 1 1 5   -4  44 o 8.2216  2.6803  -7.1091   12.658    -23.9616  25.612    -1.6626   14.560    8.5307  4.0637  7.9125  3.4962  0.6182213      5.360690 
1 1 1 5   -4  45 o 18.581  3.8120  54.634    18.895    82.624    34.603    42.743    22.554    21.234  5.8819  15.929  4.8505  5.304627       7.623920 
1 1 1 5   -4  46 o 20.720  3.6967  79.913    19.750    70.214    36.767    83.847    23.415    18.488  6.2488  22.951  3.9515  -4.462589      7.393355 
1 1 1 5   -3  0  o 278.748 5.2467  10432.43  391.544   10817.51  554.281   10048.89  553.173   283.895 7.2893  273.601 7.5484  10.29340       10.49340 
1 1 1 5   -3  1  o 69.547  2.3567  676.092   39.778    719.731   48.150    582.295   70.591    73.300  2.4525  65.794  4.0250  7.505898       4.713346 
1 1 1 5   -3  2  o 220.592 5.1114  6529.02   285.432   6525.02   350.438   6536.91   491.988   220.570 5.9317  220.615 8.3259  -0.4516602E-01 10.22278 
1 1 1 5   -3  3  o 290.976 5.4323  11367.16  423.338   11211.44  599.411   11522.12  597.971   288.982 7.7440  292.970 7.6202  -3.987976      10.86451 
1 1 1 5   -3  4  o 356.963 6.6473  17125.24  635.559   17128.14  898.573   17122.34  899.060   356.994 9.3973  356.933 9.4040  0.6127930E-01  13.29454 
1 1 1 5   -3  5  o 296.816 5.5790  11827.23  443.535   11791.99  627.066   11862.50  627.442   296.373 7.8992  297.260 7.8804  -0.8865051     11.15790 
1 1 1 5   -3  6  o 231.966 4.4542  7216.99   276.740   7143.14   391.071   7291.07   391.670   230.776 6.3267  233.156 6.2717  -2.380386      8.908478 
1 1 1 5   -3  7  o 440.905 8.1294  26159.23  959.957   26606.63  1358.54   25713.10  1356.63   444.687 11.406  437.123 11.587  7.563232       16.25890 
1 1 1 5   -3  8  o 349.299 6.5169  16387.93  609.709   16490.98  863.018   16285.23  861.502   350.398 9.1954  348.200 9.2372  2.197327       13.03381 
1 1 1 5   -3  9  o 266.528 5.0281  9530.68   358.874   9775.34   508.439   9287.76   506.617   269.943 7.0320  263.114 7.1886  6.828308       10.05610 
1 1 1 5   -3  10 o 212.073 4.0811  6030.06   231.774   6184.58   328.634   5877.15   326.928   214.778 5.7126  209.367 5.8298  5.410995       8.162132 
1 1 1 5   -3  11 o 127.454 2.6979  2179.21   91.789    2408.24   130.742   1956.60   128.895   134.069 3.6408  120.840 3.9823  13.22861       5.395787 
1 1 1 5   -3  12 o 57.059  3.4560  437.792   52.570    0.0000    0.0000    437.792   52.570    ?       ?       57.059  3.4560  ?              ?        
1 1 1 5   -3  13 o 368.090 6.8308  18198.70  673.433   18036.48  953.240   18360.34  951.519   366.447 9.7119  369.733 9.6081  -3.286774      13.66150 
1 1 1 5   -3  14 o 205.605 4.0497  5675.53   222.604   5291.92   315.516   6055.72   314.108   198.670 5.9292  212.540 5.5176  -13.87021      8.099353 
1 1 1 5   -3  15 o 164.863 3.3782  3650.15   148.818   3378.78   211.346   3917.02   209.585   158.768 4.9698  170.958 4.5770  -12.18988      6.756349 
1 1 1 5   -3  16 o 215.286 4.1471  6217.49   238.896   6577.18   339.440   5864.46   336.284   221.465 5.7223  209.108 6.0041  12.35713       8.294189 
1 1 1 5   -3  17 o 380.689 7.1262  19513.74  726.377   18938.00  1028.19   20087.38  1026.32   375.052 10.235  386.327 9.9183  -11.27567      14.25239 
1 1 1 5   -3  18 o 282.423 5.2755  10726.22  398.742   11275.25  565.854   10184.69  561.979   289.628 7.2942  275.218 7.6235  14.40918       10.55095 
1 1 1 5   -3  19 o 76.341  2.2191  799.522   44.075    602.341   63.268    985.431   61.434    66.931  3.5417  85.751  2.6747  -18.81930      4.438261 
1 1 1 5   -3  20 o 287.183 5.3982  11126.83  414.987   11620.26  589.051   10640.60  584.732   293.544 7.4919  280.823 7.7738  12.72061       10.79633 
1 1 1 5   -3  21 o 195.516 3.8473  5141.62   201.461   5239.85   286.846   5046.00   283.010   197.361 5.4262  193.671 5.4557  3.689804       7.694691 
1 1 1 5   -3  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -3  23 o 155.516 3.2068  3250.22   133.423   3473.19   191.050   3037.93   186.414   160.733 4.4376  150.299 4.6305  10.43399       6.413625 
1 1 1 5   -3  24 o 168.174 3.4090  3804.25   153.470   3990.84   219.569   3626.02   214.594   172.215 4.7601  164.134 4.8812  8.080246       6.817959 
1 1 1 5   -3  25 o 82.065  2.3120  914.425   50.235    789.546   73.077    1026.31   69.171    76.674  3.5583  87.456  2.9529  -10.78181      4.623932 
1 1 1 5   -3  26 o 108.843 2.5517  1589.84   74.323    1627.85   107.884   1555.50   102.537   110.076 3.6591  107.611 3.5574  2.464508       5.103373 
1 1 1 5   -3  27 o 103.863 2.4861  1445.81   69.073    1534.30   100.666   1367.07   94.953    106.858 3.5171  100.867 3.5145  5.991249       4.972114 
1 1 1 5   -3  28 o 121.441 2.7320  1981.29   88.788    2066.12   128.894   1904.68   122.482   123.908 3.8837  118.975 3.8435  4.933334       5.464047 
1 1 1 5   -3  29 o 103.531 2.5143  1440.16   69.619    1492.11   101.885   1394.66   95.353    105.270 3.6134  101.792 3.4973  3.478577       5.028677 
1 1 1 5   -3  30 o 65.217  2.1199  565.919   36.822    642.135   55.641    506.531   49.115    69.079  3.0072  61.355  2.9887  7.724148       4.239733 
1 1 1 5   -3  31 o 66.314  3.9430  597.308   69.720    0.0000    0.0000    597.308   69.720    ?       ?       66.314  3.9430  ?              ?        
1 1 1 5   -3  32 o 77.165  2.2373  801.832   46.048    834.856   68.868    775.128   61.928    78.572  3.2723  75.757  3.0519  2.815155       4.474639 
1 1 1 5   -3  33 f 16.983  2.7967  43.812    12.616    25.924    20.323    55.027    16.091    14.039  4.6442  19.926  3.1171  -5.887294      5.593307 
1 1 1 5   -3  34 o 33.859  2.2251  158.517   19.428    149.890   30.603    164.341   25.145    32.979  3.5187  34.738  2.7243  -1.758698      4.450104 
1 1 1 5   -3  35 o 63.569  2.2167  552.975   37.187    539.294   56.857    563.202   49.159    62.744  3.3958  64.395  2.8501  -1.650841      4.433347 
1 1 1 5   -3  36 o 56.887  2.1957  439.145   32.960    469.244   51.176    417.811   43.085    58.469  3.2810  55.304  2.9189  3.165455       4.391491 
1 1 1 5   -3  37 o 59.306  2.2394  477.779   34.930    518.541   55.082    450.362   45.174    61.299  3.3677  57.313  2.9527  3.985508       4.478884 
1 1 1 5   -3  38 o 24.297  2.7504  81.418    16.744    96.225    28.200    73.354    20.810    25.847  4.2189  22.748  3.5297  3.098986       5.500728 
1 1 1 5   -3  39 o 25.740  3.0650  101.653   18.933    81.653    31.839    112.593   23.549    23.155  5.2541  28.325  3.1577  -5.169363      6.129956 
1 1 1 5   -3  40 o 18.079  5.2979  50.808    27.310    50.808    27.310    0.0000    0.0000    18.079  5.2979  ?       ?       ?              ?        
1 1 1 5   -3  41 o 36.085  5.4754  205.794   51.259    205.794   51.259    0.0000    0.0000    36.085  5.4754  ?       ?       ?              ?        
1 1 1 5   -3  42 o 18.595  3.9981  52.725    19.321    0.0000    0.0000    52.725    19.321    ?       ?       18.595  3.9981  ?              ?        
1 1 1 5   -3  43 o 19.757  4.5590  32.711    18.043    154.261   61.716    21.351    18.868    27.252  7.9580  12.261  4.4505  14.99171       9.117948 
1 1 1 5   -3  44 o 8.8421  2.8883  -12.3785  12.661    8.5653    27.709    -17.9053  14.234    11.502  4.9559  6.1824  2.9677  5.319396       5.776509 
1 1 1 5   -3  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -3  46 o 10.644  3.3001  5.2736    15.864    21.719    31.209    -0.4562   18.422    12.584  5.3361  8.7047  3.8843  3.879098       6.600199 
1 1 1 5   -2  0  o 268.786 7.1750  9696.48   516.556   9696.48   516.556   0.0000    0.0000    268.786 7.1750  ?       ?       ?              ?        
1 1 1 5   -2  1  o 394.670 10.285  20953.63  1087.24   20953.63  1087.24   0.0000    0.0000    394.670 10.285  ?       ?       ?              ?        
1 1 1 5   -2  2  o 276.940 6.1735  10056.63  435.892   9537.99   533.277   11100.69  756.634   266.559 7.4691  287.322 9.8317  -20.76358      12.34706 
1 1 1 5   -2  3  f 60.065  1.8880  494.669   29.384    360.194   41.794    626.116   41.321    51.762  3.0277  68.368  2.2565  -16.60553      3.776061 
1 1 1 5   -2  4  o 395.566 7.3086  21046.61  774.233   21501.60  1095.74   20592.96  1094.12   399.853 10.231  391.279 10.440  8.573456       14.61719 
1 1 1 5   -2  5  o 546.197 10.042  40282.79  1467.98   42147.55  2077.99   38425.04  2074.09   558.916 13.881  533.479 14.515  25.43683       20.08383 
1 1 1 5   -2  6  o 122.711 2.6304  2019.66   86.235    2200.98   122.631   1842.28   121.289   128.167 3.5722  117.254 3.8619  10.91261       5.260715 
1 1 1 5   -2  7  o 98.330  2.2732  1295.33   59.869    1289.56   84.506    1301.15   84.830    98.110  3.2158  98.550  3.2137  -0.4399796     4.546338 
1 1 1 5   -2  8  o 39.555  1.6087  210.342   16.965    215.353   23.890    205.244   24.097    40.034  2.2368  39.076  2.3126  0.9586182      3.217382 
1 1 1 5   -2  9  o 70.884  1.9144  673.533   36.318    702.586   51.233    644.186   51.490    72.422  2.6411  69.346  2.7721  3.076035       3.828872 
1 1 1 5   -2  10 o 220.437 4.1729  6517.01   246.251   6262.75   347.854   6772.43   348.651   216.121 6.0091  224.753 5.7916  -8.631775      8.345789 
1 1 1 5   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -2  12 o 365.030 6.8107  17896.47  665.903   17938.29  941.533   17854.62  941.925   365.458 9.6185  364.602 9.6451  0.8562012      13.62148 
1 1 1 5   -2  13 o 228.494 4.4542  7002.84   272.447   6721.24   384.852   7285.74   385.747   223.882 6.4178  233.105 6.1782  -9.222961      8.908303 
1 1 1 5   -2  14 o 133.165 2.8012  2376.04   99.910    2347.77   141.033   2404.52   141.555   132.369 3.9778  133.960 3.9451  -1.590866      5.602428 
1 1 1 5   -2  15 o 94.569  2.2216  1198.11   56.267    1175.06   79.301    1221.48   79.850    93.653  3.1613  95.485  3.1221  -1.832123      4.443123 
1 1 1 5   -2  16 o 167.572 3.3892  3764.31   152.118   3755.21   214.893   3773.45   215.363   167.369 4.7936  167.775 4.7924  -0.4062042     6.778308 
1 1 1 5   -2  17 o 116.883 2.5232  1831.00   78.991    1843.89   111.516   1818.02   111.905   117.297 3.5494  116.470 3.5871  0.8268356      5.046389 
1 1 1 5   -2  18 f 201.525 3.9214  5451.74   211.669   5430.01   299.101   5473.54   299.589   201.123 5.5522  201.928 5.5391  -0.8056183     7.842775 
1 1 1 5   -2  19 o 96.621  2.2734  1251.74   58.828    1268.76   83.015    1234.57   83.376    97.282  3.1859  95.960  3.2439  1.321381       4.546721 
1 1 1 5   -2  20 o 205.070 3.9695  5655.58   218.022   5584.73   308.043   5726.68   308.617   203.779 5.6437  206.361 5.5834  -2.582733      7.938905 
1 1 1 5   -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -2  22 o 189.319 3.7228  4824.00   188.773   4769.71   266.693   4878.53   267.240   188.247 5.2893  190.391 5.2404  -2.144073      7.445693 
1 1 1 5   -2  23 o 145.909 3.0509  2861.69   119.228   2821.48   168.367   2902.13   168.862   144.878 4.3388  146.940 4.2905  -2.061951      6.101882 
1 1 1 5   -2  24 o 97.007  2.3077  1263.10   59.958    1242.97   84.564    1283.45   85.024    96.229  3.2809  97.786  3.2462  -1.556648      4.615396 
1 1 1 5   -2  25 o 177.340 3.5731  4236.97   169.627   4064.98   239.513   4410.04   240.268   173.709 5.1478  180.970 4.9568  -7.261108      7.146257 
1 1 1 5   -2  26 o 73.676  2.0647  728.407   40.744    722.374   57.326    734.566   57.919    73.368  2.9171  73.984  2.9228  -0.6162491     4.129449 
1 1 1 5   -2  27 o 131.429 3.4488  2294.72   114.137   2428.40   201.383   2231.45   138.536   134.067 5.6080  128.790 4.0160  5.276703       6.897691 
1 1 1 5   -2  28 o 83.234  2.2371  926.664   49.755    1001.34   73.433    863.283   67.651    86.318  3.1761  80.149  3.1513  6.168961       4.474167 
1 1 1 5   -2  29 o 122.237 2.7652  2011.47   90.442    2087.84   131.596   1943.11   124.507   124.424 3.9487  120.050 3.8721  4.374207       5.530349 
1 1 1 5   -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -2  31 o 29.042  2.2857  117.584   16.864    104.681   26.575    126.283   21.820    27.579  3.6901  30.506  2.6983  -2.927174      4.571371 
1 1 1 5   -2  32 o 64.513  2.1368  558.276   36.714    600.622   55.619    525.576   48.875    66.646  3.1157  62.379  2.9252  4.266968       4.273685 
1 1 1 5   -2  33 o 42.224  2.0932  240.144   23.227    257.471   36.307    228.141   30.219    43.465  3.1398  40.983  2.7691  2.482471       4.186417 
1 1 1 5   -2  34 o 50.004  2.1719  343.730   28.423    325.112   43.856    357.213   37.322    48.728  3.3811  51.280  2.7270  -2.551659      4.343792 
1 1 1 5   -2  35 o 30.177  2.3095  122.715   18.016    140.633   29.108    111.589   22.937    31.885  3.4640  28.470  3.0556  3.414156       4.619086 
1 1 1 5   -2  36 o 59.742  2.2627  488.748   35.539    492.015   55.434    486.468   46.307    59.749  3.4789  59.736  2.8941  0.1286697E-01  4.525361 
1 1 1 5   -2  37 o 9.3481  2.4936  3.7955    10.736    -31.7806  19.598    19.050    12.833    6.9540  3.3732  11.742  3.6732  -4.788231      4.987122 
1 1 1 5   -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -2  39 o 13.546  3.1219  26.721    14.122    4.8856    24.907    37.066    17.144    11.250  4.7686  15.841  4.0307  -4.591607      6.243842 
1 1 1 5   -2  40 o 30.144  4.4588  135.377   34.914    135.377   34.914    0.0000    0.0000    30.144  4.4588  ?       ?       ?              ?        
1 1 1 5   -2  41 f 19.872  6.1275  66.885    35.856    66.885    35.856    0.0000    0.0000    19.872  6.1275  ?       ?       ?              ?        
1 1 1 5   -2  42 o 11.382  4.2631  16.715    17.544    0.0000    0.0000    16.715    17.544    ?       ?       11.382  4.2631  ?              ?        
1 1 1 5   -2  43 o 21.545  4.6327  65.403    20.908    125.968   62.396    57.742    22.191    23.995  8.1403  19.094  4.4255  4.901535       9.265461 
1 1 1 5   -2  44 o 9.5614  3.0688  -5.6015   14.331    7.9691    29.585    -9.7621   16.381    11.643  5.0684  7.4801  3.4613  4.162524       6.137546 
1 1 1 5   -2  45 o 14.206  3.7372  26.693    17.107    56.481    34.090    16.668    19.777    17.138  6.0086  11.273  4.4457  5.864755       7.474405 
1 1 1 5   -1  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -1  1  o 262.527 6.9643  9249.00   489.709   9249.00   489.709   0.0000    0.0000    262.527 6.9643  ?       ?       ?              ?        
1 1 1 5   -1  2  o 431.961 9.6190  24909.81  1053.53   24356.42  1289.31   26021.74  1827.58   425.328 11.317  438.595 15.557  -13.26785      19.23801 
1 1 1 5   -1  3  o 330.480 6.1147  14671.22  541.266   14627.03  765.198   14715.48  765.736   329.981 8.6576  330.979 8.6375  -0.9985046     12.22949 
1 1 1 5   -1  4  o 142.294 2.9184  2713.64   111.211   2653.29   157.045   2774.34   157.508   140.707 4.1670  143.883 4.0870  -3.175934      5.836716 
1 1 1 5   -1  5  o 68.073  1.8517  620.809   33.760    628.458   47.626    613.085   47.861    68.494  2.5960  67.651  2.6413  0.8432465      3.703480 
1 1 1 5   -1  6  o 269.535 5.0747  9747.68   366.360   9806.57   517.960   9688.73   518.262   270.351 7.1529  268.718 7.2005  1.632599       10.14941 
1 1 1 5   -1  7  o 262.171 4.9661  9223.88   348.523   8848.16   492.399   9601.08   493.376   256.810 7.1584  267.531 6.8852  -10.72113      9.932185 
1 1 1 5   -1  8  o 198.344 3.8647  5273.94   205.307   5216.22   290.113   5331.86   290.582   197.255 5.4910  199.432 5.4398  -2.176376      7.729333 
1 1 1 5   -1  9  o 422.275 7.7672  23975.42  878.512   23919.93  1242.18   24030.95  1242.63   421.785 10.995  422.766 10.974  -0.9809570     15.53437 
1 1 1 5   -1  10 o 314.902 5.8791  13311.49  495.779   13621.22  701.194   13001.86  701.081   318.573 8.2175  311.230 8.4100  7.343018       11.75824 
1 1 1 5   -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -1  12 o 698.632 12.860  66024.92  2406.35   66350.08  3403.16   65699.79  3403.03   700.369 18.141  696.895 18.231  3.474854       25.71909 
1 1 1 5   -1  13 o 166.636 3.3508  3721.36   149.555   3738.20   211.312   3704.47   211.696   167.014 4.7237  166.258 4.7538  0.7559814      6.701642 
1 1 1 5   -1  14 o 372.111 6.9434  18603.98  692.007   18831.46  978.627   18376.48  978.664   374.394 9.7589  369.829 9.8797  4.564911       13.88684 
1 1 1 5   -1  15 o 42.601  1.7893  244.372   20.285    259.677   28.543    228.754   28.833    43.962  2.4335  41.240  2.6239  2.721558       3.578610 
1 1 1 5   -1  16 o 399.121 7.3426  21441.33  784.922   21638.75  1110.01   21243.89  1110.09   400.967 10.335  397.274 10.432  3.693756       14.68512 
1 1 1 5   -1  17 o 268.207 5.0717  9665.95   364.285   9450.29   514.759   9882.31   515.596   265.201 7.2467  271.213 7.0976  -6.012360      10.14349 
1 1 1 5   -1  18 o 106.574 2.4460  1522.87   69.794    1467.12   98.418    1579.27   98.990    104.609 3.5125  108.538 3.4050  -3.928101      4.892025 
1 1 1 5   -1  19 o 102.537 2.3401  1410.19   64.251    1446.16   90.705    1373.98   91.024    103.851 3.2609  101.223 3.3573  2.628738       4.680226 
1 1 1 5   -1  20 o 240.552 4.6162  7796.94   297.419   7853.10   420.433   7740.68   420.795   241.425 6.5017  239.679 6.5547  1.746094       9.232323 
1 1 1 5   -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -1  22 o 76.084  2.0535  777.393   41.789    821.870   58.919    732.371   59.280    78.281  2.8100  73.888  2.9953  4.392448       4.107099 
1 1 1 5   -1  23 o 105.625 2.4305  1497.86   68.756    1518.06   97.019    1477.47   97.454    106.343 3.4061  104.907 3.4682  1.435768       4.861086 
1 1 1 5   -1  24 o 65.266  1.9937  571.696   34.835    587.402   49.024    555.679   49.508    66.173  2.7659  64.358  2.8720  1.815773       3.987308 
1 1 1 5   -1  25 o 41.457  1.9229  231.460   21.216    218.860   29.704    244.581   30.313    40.296  2.7689  42.617  2.6690  -2.321587      3.845849 
1 1 1 5   -1  26 o 150.986 3.1116  3068.45   125.811   3138.43   177.829   2998.32   178.018   152.719 4.3473  149.253 4.4530  3.465347       6.223189 
1 1 1 5   -1  27 o 92.402  2.3022  1147.19   56.975    1159.69   80.418    1134.58   80.734    92.910  3.2315  91.894  3.2801  1.016014       4.604488 
1 1 1 5   -1  28 o 63.674  1.9738  544.538   33.659    532.951   47.329    556.396   47.878    62.988  2.8053  64.360  2.7773  -1.372486      3.947568 
1 1 1 5   -1  29 o 47.004  1.9785  298.956   24.636    259.486   34.641    339.351   35.045    43.823  2.9687  50.185  2.6162  -6.362450      3.956973 
1 1 1 5   -1  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -1  31 o 28.096  2.0039  107.785   14.822    115.415   20.762    99.854    21.168    29.145  2.6899  27.046  2.9711  2.099682       4.007848 
1 1 1 5   -1  32 f 17.719  2.4320  43.863    11.112    37.844    15.320    50.547    16.143    16.384  3.5902  19.054  3.2815  -2.670370      4.863966 
1 1 1 5   -1  33 o 36.892  2.1917  187.267   20.938    179.334   32.977    192.625   27.102    36.142  3.4483  37.641  2.7062  -1.499073      4.383404 
1 1 1 5   -1  34 o 36.185  2.3112  184.298   21.281    160.530   33.695    200.069   27.448    34.037  3.7587  38.333  2.6903  -4.295982      4.622304 
1 1 1 5   -1  35 o 59.598  2.2645  487.168   35.403    478.225   55.217    493.410   46.132    58.967  3.5119  60.228  2.8597  -1.261082      4.528928 
1 1 1 5   -1  36 o 32.704  2.4434  150.596   20.198    140.876   32.863    156.497   25.605    31.652  3.9633  33.757  2.8588  -2.105011      4.886751 
1 1 1 5   -1  37 o 38.412  2.3458  205.507   23.236    202.689   37.223    207.306   29.742    38.025  3.7016  38.798  2.8827  -0.7724533     4.691683 
1 1 1 5   -1  38 o 37.052  2.4532  192.396   23.168    194.724   38.218    191.044   29.130    36.994  3.9165  37.109  2.9553  -0.1144409     4.906401 
1 1 1 5   -1  39 o 37.468  2.4788  194.373   23.823    218.971   39.706    180.538   29.778    39.078  3.8432  35.858  3.1318  3.219395       4.957619 
1 1 1 5   -1  40 o 25.965  5.0469  104.574   33.836    104.574   33.836    0.0000    0.0000    25.965  5.0469  ?       ?       ?              ?        
1 1 1 5   -1  41 o 13.258  5.3701  19.589    29.648    19.589    29.648    0.0000    0.0000    13.258  5.3701  ?       ?       ?              ?        
1 1 1 5   -1  42 o 21.399  3.9615  69.566    21.870    0.0000    0.0000    69.566    21.870    ?       ?       21.399  3.9615  ?              ?        
1 1 1 5   -1  43 o 11.679  3.7862  5.9980    16.004    -14.1919  60.706    7.5059    16.591    13.695  6.4436  9.6624  3.9776  4.033025       7.572351 
1 1 1 5   -1  44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   -1  45 f 18.689  3.3784  71.230    19.344    23.921    35.957    90.500    22.948    13.249  5.6758  24.130  3.6660  -10.88108      6.756781 
1 1 1 5   0   0  o 378.343 9.2439  19955.02  865.820   21165.09  1060.00   17529.26  1500.80   396.717 9.9755  359.970 15.566  36.74619       18.48787 
1 1 1 5   0   1  o 160.289 3.9610  3444.33   160.288   3442.38   196.246   3448.24   277.813   160.255 4.5719  160.322 6.4695  -0.6695557E-01 7.921924 
1 1 1 5   0   2  o 215.706 4.1346  6240.01   238.884   6239.75   337.877   6240.26   337.790   215.701 5.8481  215.710 5.8464  -0.8789063E-02 8.269269 
1 1 1 5   0   3  o 242.518 4.5969  7889.87   298.606   7908.81   422.304   7870.92   422.281   242.809 6.4934  242.226 6.5087  0.5831757      9.193837 
1 1 1 5   0   4  o 101.604 2.3058  1383.11   62.750    1373.67   88.688    1392.57   88.794    101.257 3.2700  101.951 3.2517  -0.6946106     4.611560 
1 1 1 5   0   5  o 321.440 5.9953  13874.04  516.162   13759.34  729.818   13988.84  730.110   320.107 8.5120  322.772 8.4451  -2.665283      11.99053 
1 1 1 5   0   6  o 341.811 6.3461  15691.16  580.988   15536.66  821.448   15845.80  821.834   340.123 9.0169  343.499 8.9324  -3.376068      12.69220 
1 1 1 5   0   7  f 264.742 5.0237  9402.39   356.231   9372.12   503.648   9432.69   503.926   264.315 7.1140  265.169 7.0950  -0.8540039     10.04733 
1 1 1 5   0   8  o 184.177 3.6140  4546.79   178.278   4509.40   251.944   4584.29   252.303   183.418 5.1283  184.936 5.0934  -1.518066      7.227902 
1 1 1 5   0   9  o 80.655  2.0277  871.457   43.804    877.172   61.854    865.707   62.044    80.920  2.8538  80.389  2.8815  0.5307846      4.055488 
1 1 1 5   0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   0   11 o 231.403 4.3995  7179.70   272.685   7175.01   385.462   7184.40   385.809   231.327 6.2211  231.479 6.2226  -0.1513367     8.799019 
1 1 1 5   0   12 o 429.465 7.9831  24801.11  917.993   25565.37  1298.68   24037.89  1297.80   436.104 11.118  422.827 11.459  13.27768       15.96627 
1 1 1 5   0   13 o 459.131 8.4962  28360.16  1044.81   28105.10  1477.20   28615.49  1477.98   457.056 12.067  461.206 11.964  -4.149170      16.99246 
1 1 1 5   0   14 o 465.188 8.6162  29135.56  1073.30   28354.32  1517.10   29918.41  1518.67   458.913 12.342  471.463 12.026  -12.55045      17.23247 
1 1 1 5   0   15 o 410.337 7.6391  22658.23  839.601   22619.93  1187.19   22696.57  1187.56   409.989 10.811  410.685 10.796  -0.6967468     15.27825 
1 1 1 5   0   16 o 33.586  1.7168  152.160   15.291    165.770   21.667    138.653   21.584    35.101  2.3177  32.071  2.5333  3.029922       3.433522 
1 1 1 5   0   17 f 172.744 3.4850  4004.12   161.200   3886.57   227.712   4122.21   228.231   170.198 4.9951  175.290 4.8610  -5.091980      6.969965 
1 1 1 5   0   18 o 235.648 4.5187  7467.35   285.207   7405.50   403.106   7529.34   403.582   234.668 6.4132  236.628 6.3676  -1.960846      9.037471 
1 1 1 5   0   19 o 194.938 3.8442  5109.35   200.668   5240.16   283.732   4978.44   283.842   197.444 5.3651  192.431 5.5070  5.012711       7.688344 
1 1 1 5   0   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   0   21 o 86.914  2.1589  1013.65   50.237    1044.60   70.926    982.497   71.167    88.248  3.0006  85.580  3.1047  2.668137       4.317729 
1 1 1 5   0   22 o 74.731  2.0122  749.197   40.272    760.730   56.787    737.527   57.120    75.311  2.8151  74.151  2.8760  1.159866       4.024442 
1 1 1 5   0   23 f 118.430 2.6584  1884.18   84.308    1926.59   119.036   1841.49   119.423   119.771 3.7105  117.088 3.8079  2.683777       5.316783 
1 1 1 5   0   24 o 100.236 2.3828  1348.82   63.971    1336.11   90.230    1361.66   90.710    99.761  3.3767  100.711 3.3627  -0.9502792     4.765518 
1 1 1 5   0   25 o 218.395 4.2548  6443.63   248.747   6179.00   351.301   6709.71   352.263   213.862 6.1328  222.929 5.8994  -9.067429      8.509662 
1 1 1 5   0   26 f 277.022 5.3913  10439.17  399.998   10265.96  565.325   10612.82  566.040   274.688 7.6837  279.357 7.5648  -4.669128      10.78265 
1 1 1 5   0   27 o 91.534  2.3197  1126.48   56.850    1159.46   80.241    1093.24   80.557    92.886  3.2252  90.183  3.3349  2.702431       4.639380 
1 1 1 5   0   28 o 128.029 2.8525  2211.18   97.786    2274.66   138.171   2147.47   138.410   129.885 3.9716  126.174 4.0955  3.710419       5.705005 
1 1 1 5   0   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   0   30 o 82.062  2.1812  908.071   47.936    885.887   67.514    930.624   68.074    81.047  3.1101  83.078  3.0592  -2.030640      4.362471 
1 1 1 5   0   31 o 124.992 2.7903  2123.43   93.417    2125.66   131.952   2121.20   132.271   125.061 3.9392  124.923 3.9531  0.1377487      5.580669 
1 1 1 5   0   32 o 34.711  1.9386  163.853   17.857    154.593   25.118    173.316   25.392    33.701  2.8082  35.722  2.6732  -2.020874      3.877123 
1 1 1 5   0   33 o 63.902  2.0543  554.239   35.121    582.578   49.538    525.600   49.800    65.569  2.8207  62.236  2.9874  3.333130       4.108638 
1 1 1 5   0   34 o 43.061  1.9713  253.296   22.520    278.793   31.859    227.831   31.838    45.280  2.6383  40.843  2.9298  4.436855       3.942675 
1 1 1 5   0   35 o 81.223  2.2712  902.701   49.354    951.950   69.843    853.580   69.752    83.482  3.1235  78.963  3.2980  4.519463       4.542335 
1 1 1 5   0   36 o 42.381  2.6803  244.896   27.192    264.878   51.433    237.145   32.035    43.204  4.5111  41.558  2.8960  1.645851       5.360620 
1 1 1 5   0   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   0   38 o 39.170  2.4466  213.973   24.494    224.206   40.663    208.146   30.685    39.660  3.8775  38.681  2.9848  0.9789886      4.893248 
1 1 1 5   0   39 o 9.5096  2.9087  -4.1427   12.394    13.280    23.699    -10.7012  14.540    11.981  4.8192  7.0386  3.2584  4.942090       5.817359 
1 1 1 5   0   40 o 19.308  5.6068  60.750    30.711    60.750    30.711    0.0000    0.0000    19.308  5.6068  ?       ?       ?              ?        
1 1 1 5   0   41 o 11.936  5.2059  5.1457    31.340    5.1457    31.340    0.0000    0.0000    11.936  5.2059  ?       ?       ?              ?        
1 1 1 5   0   42 o 30.566  3.3145  136.117   26.701    0.0000    0.0000    136.117   26.701    ?       ?       30.566  3.3145  ?              ?        
1 1 1 5   0   43 f 8.6108  2.7619  -7.9868   14.352    -45.1416  28.300    4.8768    16.652    7.9517  3.8994  9.2699  3.9125  -1.318203      5.523854 
1 1 1 5   0   44 o 20.364  3.8003  70.963    19.573    79.490    37.264    67.714    23.001    20.255  6.2468  20.474  4.3296  -0.2187996     7.600533 
1 1 1 5   1   0  o 219.635 4.2166  6470.19   248.035   6561.15   350.540   6378.98   351.010   221.184 5.9169  218.087 6.0090  3.096970       8.433141 
1 1 1 5   1   1  o 137.159 2.8447  2521.10   104.510   2516.41   147.724   2525.80   147.874   137.031 4.0248  137.287 4.0214  -0.2557526     5.689477 
1 1 1 5   1   2  o 222.860 4.2719  6661.03   255.001   6656.32   360.762   6665.73   360.491   222.781 6.0458  222.939 6.0370  -0.1580048     8.543798 
1 1 1 5   1   3  o 124.965 2.6557  2092.52   88.889    2087.03   125.741   2098.01   125.676   124.801 3.7616  125.129 3.7498  -0.3279877     5.311333 
1 1 1 5   1   4  o 178.702 3.5327  4281.53   169.034   4150.00   238.923   4413.33   239.178   175.951 5.0696  181.453 4.9212  -5.501465      7.065350 
1 1 1 5   1   5  o 109.940 2.4257  1619.38   71.430    1612.91   100.986   1625.87   101.048   109.720 3.4363  110.160 3.4246  -0.4400635     4.851402 
1 1 1 5   1   6  o 123.492 2.6374  2044.20   87.173    1951.06   123.152   2137.72   123.410   120.670 3.8102  126.314 3.6476  -5.643188      5.274775 
1 1 1 5   1   7  o 184.574 3.6343  4566.91   179.641   4462.00   253.901   4672.07   254.200   182.450 5.1956  186.699 5.0833  -4.249023      7.268678 
1 1 1 5   1   8  o 260.104 4.8885  9074.52   340.567   8991.66   481.504   9157.47   481.764   258.915 6.9431  261.294 6.8836  -2.379669      9.777049 
1 1 1 5   1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   1   10 o 193.393 3.8265  5015.35   198.076   4795.58   279.877   5235.88   280.366   189.143 5.5244  197.643 5.2961  -8.499619      7.652964 
1 1 1 5   1   11 o 109.939 2.4220  1619.26   71.321    1625.41   100.793   1613.08   100.933   110.148 3.4164  109.729 3.4341  0.4187698      4.844061 
1 1 1 5   1   12 o 121.970 2.6768  1993.68   87.422    2048.67   123.550   1938.54   123.717   123.656 3.7303  120.285 3.8400  3.371025       5.353536 
1 1 1 5   1   13 o 597.628 10.995  48217.38  1759.75   47263.13  2487.73   49173.06  2489.61   591.664 15.698  603.592 15.399  -11.92792      21.98991 
1 1 1 5   1   14 o 388.112 7.1107  20250.77  739.187   20339.14  1045.22   20162.36  1045.51   388.962 10.033  387.261 10.079  1.700989       14.22138 
1 1 1 5   1   15 o 368.462 6.9109  18264.85  682.052   18305.26  964.406   18224.40  964.728   368.872 9.7610  368.052 9.7860  0.8198242      13.82186 
1 1 1 5   1   16 o 180.392 3.5924  4365.39   173.570   4313.19   245.247   4417.78   245.685   179.310 5.1063  181.474 5.0545  -2.163956      7.184870 
1 1 1 5   1   17 o 324.061 6.1202  14157.49  531.229   14189.95  751.102   14125.00  751.441   324.435 8.6433  323.686 8.6673  0.7492065      12.24045 
1 1 1 5   1   18 o 132.911 2.8523  2370.35   101.532   2328.99   143.366   2411.97   143.811   131.746 4.0627  134.076 4.0045  -2.329895      5.704555 
1 1 1 5   1   19 o 229.931 4.4615  7121.55   274.689   6911.63   388.078   7332.32   388.859   226.517 6.3963  233.345 6.2216  -6.828354      8.923087 
1 1 1 5   1   20 o 198.599 5.8159  5388.07   305.605   4460.60   434.303   6297.71   430.109   181.321 8.9424  215.877 7.4385  -34.55641      11.63176 
1 1 1 5   1   21 o 203.686 4.0005  5589.06   218.212   5451.07   308.248   5727.69   308.949   201.153 5.7212  206.220 5.5933  -5.067734      8.001037 
1 1 1 5   1   22 o 160.675 3.2785  3472.26   141.069   3388.92   199.198   3556.12   199.807   158.733 4.6852  162.616 4.5873  -3.883194      6.557014 
1 1 1 5   1   23 o 110.859 2.5588  1650.59   75.968    1680.97   107.276   1620.03   107.594   111.886 3.5796  109.833 3.6574  2.053024       5.117620 
1 1 1 5   1   24 o 77.238  2.1283  800.571   44.028    804.929   62.100    796.166   62.432    77.450  2.9935  77.026  3.0261  0.4244003      4.256584 
1 1 1 5   1   25 o 40.298  1.8761  218.977   20.108    205.438   28.395    232.596   28.480    39.035  2.7330  41.561  2.5710  -2.526394      3.752249 
1 1 1 5   1   26 o 49.137  1.9041  325.237   24.808    277.375   34.646    375.594   35.538    45.365  2.8661  52.909  2.5077  -7.543865      3.808278 
1 1 1 5   1   27 o 226.228 4.3963  6955.89   266.318   7144.15   376.627   6767.62   376.636   229.335 6.1313  223.121 6.3022  6.214005       8.792647 
1 1 1 5   1   28 o 42.469  1.9737  243.502   22.320    243.545   31.183    243.457   31.961    42.477  2.7556  42.461  2.8264  0.1635742E-01  3.947431 
1 1 1 5   1   29 o 109.889 3.2081  1622.44   88.051    1682.71   156.956   1594.76   106.366   111.115 5.2737  108.663 3.6545  2.451797       6.416168 
1 1 1 5   1   30 o 88.640  2.2783  1061.33   54.081    1031.70   76.187    1091.42   76.780    87.386  3.2550  89.895  3.1888  -2.509247      4.556676 
1 1 1 5   1   31 o 49.987  1.9425  338.474   25.897    346.748   36.469    330.057   36.782    50.615  2.6998  49.360  2.7936  1.255074       3.884940 
1 1 1 5   1   32 o 56.076  1.9769  426.293   29.621    440.516   41.743    411.867   42.040    57.068  2.7309  55.083  2.8592  1.984539       3.953816 
1 1 1 5   1   33 o 28.696  2.0553  112.531   15.450    95.436    21.244    131.727   22.512    26.328  3.0701  31.063  2.7336  -4.734293      4.110681 
1 1 1 5   1   34 o 20.329  2.4996  59.625    12.771    82.288    18.202    37.649    17.924    24.451  2.8317  16.207  4.1199  8.243731       4.999224 
1 1 1 5   1   35 o 54.478  2.0151  405.636   29.301    403.363   41.438    407.910   41.438    54.322  2.8580  54.634  2.8415  -0.3125343     4.030170 
1 1 1 5   1   36 o 19.237  2.6587  54.514    13.099    67.769    17.982    39.527    19.121    22.001  3.1405  16.473  4.2908  5.528267       5.317306 
1 1 1 5   1   37 o 23.040  2.4649  75.517    14.707    79.715    20.649    71.194    20.953    23.757  3.3371  22.324  3.6287  1.432266       4.929873 
1 1 1 5   1   38 o 11.519  2.8919  16.750    11.379    11.482    16.130    21.969    16.056    10.510  4.0518  12.528  4.1273  -2.018608      5.783723 
1 1 1 5   1   39 o 17.284  3.3362  52.673    16.860    13.813    34.541    64.828    19.318    13.457  5.6548  21.112  3.5417  -7.655143      6.672311 
1 1 1 5   1   40 o 18.254  5.6853  54.765    30.780    54.765    30.780    0.0000    0.0000    18.254  5.6853  ?       ?       ?              ?        
1 1 1 5   1   41 o 5.6722  2.8729  -73.7991  22.100    -73.7991  22.100    0.0000    0.0000    5.6722  2.8729  ?       ?       ?              ?        
1 1 1 5   1   42 o 6.9228  3.2536  -13.4818  15.406    0.0000    0.0000    -13.4818  15.406    ?       ?       6.9228  3.2536  ?              ?        
1 1 1 5   1   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   1   44 o 21.786  3.5841  70.758    19.789    129.098   36.467    46.407    23.560    27.295  5.1775  16.278  4.9576  11.01670       7.168276 
1 1 1 5   2   0  o 139.104 2.8763  2593.06   107.162   2555.76   151.226   2630.68   151.875   138.099 4.0883  140.109 4.0470  -2.010269      5.752608 
1 1 1 5   2   1  f 276.039 5.1784  10228.85  382.673   10616.68  541.399   9841.65   540.964   281.280 7.1860  270.798 7.4582  10.48199       10.35681 
1 1 1 5   2   2  o 456.745 8.3737  28082.77  1024.42   28100.03  1448.89   28065.51  1448.61   456.885 11.840  456.604 11.845  0.2817078      16.74734 
1 1 1 5   2   3  o 92.290  2.1688  1141.21   53.605    1120.95   75.879    1161.40   75.738    91.472  3.0970  93.108  3.0370  -1.636063      4.337572 
1 1 1 5   2   4  o 194.487 3.7910  5071.09   197.463   4978.43   279.211   5163.81   279.299   192.708 5.4093  196.266 5.3129  -3.558517      7.582083 
1 1 1 5   2   5  o 123.730 2.6544  2051.65   87.938    2114.40   124.407   1988.98   124.319   125.622 3.6974  121.838 3.8095  3.784492       5.308723 
1 1 1 5   2   6  o 93.492  2.1844  1170.96   54.699    1177.58   77.339    1164.35   77.374    93.756  3.0797  93.228  3.0986  0.5283661      4.368739 
1 1 1 5   2   7  o 71.990  1.9157  694.706   36.901    731.743   52.199    657.707   52.172    73.910  2.6368  70.070  2.7798  3.839561       3.831451 
1 1 1 5   2   8  o 483.446 12.801  31661.93  1653.81   34109.52  2339.67   29217.81  2338.01   502.333 17.389  464.559 18.790  37.77322       25.60127 
1 1 1 5   2   9  o 354.948 6.6322  16917.67  630.518   16763.09  891.476   17072.40  891.898   353.322 9.4200  356.575 9.3385  -3.252991      13.26435 
1 1 1 5   2   10 o 307.198 5.7627  12665.63  474.008   12276.64  669.933   13055.58  670.763   302.465 8.2693  311.931 8.0283  -9.465881      11.52536 
1 1 1 5   2   11 o 250.427 4.7521  8410.29   318.753   8462.26   450.714   8358.30   450.854   251.202 6.6987  249.652 6.7424  1.549942       9.504295 
1 1 1 5   2   12 o 60.457  4.7482  497.323   75.290    452.258   106.525   542.305   106.427   57.639  7.0467  63.275  6.3660  -5.636669      9.496417 
1 1 1 5   2   13 o 455.622 8.4341  27944.15  1029.27   28090.27  1455.63   27798.04  1455.59   456.819 11.896  454.425 11.959  2.394531       16.86827 
1 1 1 5   2   14 o 193.082 3.8004  4999.17   196.538   4952.00   277.826   5046.41   278.069   192.169 5.3976  193.994 5.3515  -1.825272      7.600808 
1 1 1 5   2   15 o 262.418 4.9967  9249.83   351.187   9373.41   496.650   9126.25   496.656   264.176 7.0189  260.660 7.1137  3.516357       9.993431 
1 1 1 5   2   16 o 35.462  1.7238  169.391   16.258    177.969   23.006    160.833   22.978    36.368  2.3747  34.556  2.4994  1.812553       3.447670 
1 1 1 5   2   17 o 174.683 3.4699  4097.65   162.302   3977.66   229.268   4218.19   229.793   172.113 4.9733  177.253 4.8401  -5.139999      6.939739 
1 1 1 5   2   18 o 128.835 2.7964  2228.11   96.444    2134.84   136.091   2322.22   136.696   126.121 4.0286  131.550 3.8795  -5.428864      5.592860 
1 1 1 5   2   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   2   20 o 161.145 3.3171  3492.11   143.107   3613.94   202.296   3370.08   202.472   163.971 4.6061  158.320 4.7746  5.650513       6.634231 
1 1 1 5   2   21 o 169.355 3.4308  3858.40   155.599   3767.31   219.718   3950.05   220.383   167.342 4.9020  171.368 4.8013  -4.026245      6.861611 
1 1 1 5   2   22 o 37.018  1.8928  184.709   18.612    171.755   26.056    198.206   26.596    35.679  2.7476  38.356  2.6042  -2.677017      3.785650 
1 1 1 5   2   23 o 75.215  2.0918  759.271   42.129    776.640   59.360    741.644   59.800    76.084  2.9128  74.346  3.0030  1.738106       4.183586 
1 1 1 5   2   24 o 69.430  2.0517  647.220   38.128    673.795   53.811    620.426   54.031    70.865  2.8350  67.995  2.9667  2.870399       4.103496 
1 1 1 5   2   25 o 57.872  1.9327  449.391   29.942    429.006   42.054    470.348   42.641    56.539  2.7770  59.205  2.6890  -2.665447      3.865495 
1 1 1 5   2   26 o 213.930 4.1777  6201.54   239.385   6170.77   338.352   6232.37   338.731   213.394 5.9197  214.466 5.8967  -1.072205      8.355441 
1 1 1 5   2   27 o 52.455  1.9491  370.430   27.300    350.671   38.514    390.384   38.703    51.004  2.8303  53.906  2.6805  -2.902298      3.898148 
1 1 1 5   2   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   2   29 o 50.101  1.9409  339.106   25.907    315.932   36.389    362.927   36.893    48.347  2.8223  51.854  2.6653  -3.506943      3.881858 
1 1 1 5   2   30 o 71.522  2.0840  690.777   39.919    677.854   56.284    703.857   56.626    70.845  2.9661  72.199  2.9281  -1.353752      4.167956 
1 1 1 5   2   31 o 47.549  1.9629  307.061   24.839    328.144   35.065    285.825   35.191    49.217  2.6699  45.880  2.8782  3.336552       3.925894 
1 1 1 5   2   32 o 41.036  1.9497  228.972   21.302    226.616   29.803    231.433   30.458    40.823  2.7416  41.249  2.7729  -0.4264069     3.899404 
1 1 1 5   2   33 o 18.608  2.4884  48.765    11.941    47.358    16.525    50.303    17.274    18.327  3.4940  18.890  3.5442  -0.5631065     4.976822 
1 1 1 5   2   34 o 39.099  1.9786  208.805   20.576    201.553   28.681    216.496   29.534    38.394  2.8085  39.804  2.7878  -1.410660      3.957156 
1 1 1 5   2   35 o 61.887  2.0694  523.494   34.300    515.949   48.147    531.268   48.875    61.435  2.9260  62.339  2.9271  -0.9049072     4.138733 
1 1 1 5   2   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   2   37 o 17.582  2.8056  45.682    12.945    52.618    18.006    38.263    18.622    19.079  3.6566  16.086  4.2561  2.993189       5.611198 
1 1 1 5   2   38 o 13.402  2.8978  25.948    11.743    17.355    16.783    34.191    16.438    11.639  4.2016  15.166  3.9920  -3.527059      5.795661 
1 1 1 5   2   39 o 26.172  2.5432  101.660   16.782    123.582   23.243    77.783    24.257    29.543  2.9778  22.802  4.1235  6.741577       5.086355 
1 1 1 5   2   40 o 21.858  3.8333  71.323    21.625    71.323    21.625    0.0000    0.0000    21.858  3.8333  ?       ?       ?              ?        
1 1 1 5   2   41 o 14.168  3.6535  15.166    17.526    62.244    34.368    -1.3782   20.374    18.964  6.0218  9.3724  4.1388  9.591525       7.306909 
1 1 1 5   2   42 o 27.498  3.6440  112.936   26.178    0.0000    0.0000    112.936   26.178    ?       ?       27.498  3.6440  ?              ?        
1 1 1 5   2   43 o 8.6506  2.8979  -15.0763  14.071    -2.2570   30.219    -18.6252  15.900    10.734  4.8661  6.5678  3.1484  4.165761       5.795760 
1 1 1 5   3   0  o 365.559 6.7842  17956.81  664.236   17740.13  938.874   18173.96  939.869   363.344 9.6472  367.774 9.5411  -4.429382      13.56835 
1 1 1 5   3   1  o 274.441 5.1603  10106.69  379.285   10278.71  536.381   9934.65   536.400   276.781 7.2352  272.100 7.3599  4.680573       10.32063 
1 1 1 5   3   2  o 126.273 2.6921  2137.04   91.011    2212.78   128.799   2061.51   128.619   128.509 3.7419  124.037 3.8714  4.472321       5.384157 
1 1 1 5   3   3  o 196.894 3.8319  5196.98   202.083   5182.06   285.923   5211.86   285.656   196.611 5.4294  197.176 5.4088  -0.5650940     7.663763 
1 1 1 5   3   4  o 297.008 5.5801  11837.86  443.910   11907.66  627.946   11768.13  627.622   297.885 7.8702  296.131 7.9127  1.753601       11.16022 
1 1 1 5   3   5  o 227.563 4.3662  6943.73   266.126   6926.63   376.384   6960.81   376.336   227.283 6.1827  227.843 6.1667  -0.5608673     8.732302 
1 1 1 5   3   6  o 277.815 5.2353  10354.90  389.524   10161.29  550.692   10548.76  551.049   275.212 7.4706  280.418 7.3366  -5.206696      10.47066 
1 1 1 5   3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   3   8  f 105.092 2.3719  1479.64   66.764    1461.11   94.368    1498.21   94.469    104.433 3.3736  105.751 3.3351  -1.318237      4.743901 
1 1 1 5   3   9  o 166.340 3.3174  3708.25   147.786   3778.05   209.025   3638.48   208.978   167.907 4.6477  164.774 4.7350  3.132553       6.634895 
1 1 1 5   3   10 f 140.167 2.9312  2632.53   110.047   2645.16   155.557   2619.88   155.702   140.504 4.1334  139.830 4.1572  0.6733246      5.862423 
1 1 1 5   3   11 o 330.669 6.1724  14681.53  546.490   15136.98  773.086   14226.63  772.622   335.808 8.5950  325.530 8.8611  10.27783       12.34478 
1 1 1 5   3   12 o 241.964 4.6747  7853.24   302.937   7971.74   428.375   7734.69   428.459   243.793 6.5602  240.135 6.6614  3.657684       9.349309 
1 1 1 5   3   13 o 185.579 3.5976  4617.95   178.783   4731.10   252.830   4504.78   252.846   187.855 5.0248  183.302 5.1499  4.553177       7.195129 
1 1 1 5   3   14 o 147.850 3.1192  2931.25   123.486   3015.43   174.659   2847.11   174.613   149.976 4.3479  145.725 4.4736  4.250412       6.238355 
1 1 1 5   3   15 o 163.976 3.3135  3606.88   145.527   3568.07   205.664   3645.80   205.949   163.091 4.7080  164.861 4.6640  -1.769272      6.627054 
1 1 1 5   3   16 o 299.629 5.6794  12102.03  455.698   12399.30  644.580   11805.00  644.329   303.331 7.9336  295.926 8.1290  7.404541       11.35880 
1 1 1 5   3   17 o 311.970 5.8927  13149.76  492.210   13569.14  696.303   12730.88  695.878   316.985 8.2011  306.955 8.4639  10.03003       11.78536 
1 1 1 5   3   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   3   19 o 174.022 3.4608  4071.99   161.305   4116.59   227.978   4027.28   228.262   174.980 4.8642  173.064 4.9242  1.916718       6.921618 
1 1 1 5   3   20 o 121.110 2.6550  1969.35   86.123    1952.36   121.563   1986.46   122.031   120.585 3.7637  121.635 3.7456  -1.049904      5.309929 
1 1 1 5   3   21 o 180.001 3.6668  4361.96   176.782   4400.53   249.832   4323.28   250.183   180.803 5.1589  179.199 5.2123  1.603699       7.333649 
1 1 1 5   3   22 f 182.820 3.6578  4500.63   179.097   4423.57   252.988   4578.04   253.576   181.244 5.2113  184.396 5.1341  -3.152298      7.315538 
1 1 1 5   3   23 o 92.580  2.2939  1150.76   56.869    1175.28   80.239    1126.00   80.611    93.574  3.2014  91.586  3.2861  1.988205       4.587743 
1 1 1 5   3   24 o 205.705 4.0762  5714.28   224.587   5698.00   317.409   5730.61   317.819   205.410 5.7691  205.999 5.7600  -0.5895996     8.152348 
1 1 1 5   3   25 o 23.348  2.2268  75.345    13.348    61.718    19.002    88.619    18.754    21.154  3.4743  25.543  2.7864  -4.388592      4.453648 
1 1 1 5   3   26 o 100.894 2.4670  1369.90   66.660    1339.87   94.081    1400.19   94.464    99.779  3.5202  102.009 3.4573  -2.230011      4.934061 
1 1 1 5   3   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   3   28 o 22.654  2.1601  70.207    12.706    61.572    17.523    79.781    18.451    21.139  3.1945  24.169  2.9086  -3.030334      4.320232 
1 1 1 5   3   29 o 44.034  1.9128  262.300   22.439    251.283   31.593    273.515   31.874    43.090  2.7517  44.978  2.6576  -1.888062      3.825541 
1 1 1 5   3   30 f 19.400  2.3863  52.727    11.901    57.747    16.574    47.382    17.101    20.428  3.1287  18.371  3.6040  2.056326       4.772609 
1 1 1 5   3   31 o 62.871  2.0202  535.192   34.016    524.769   47.998    545.708   48.213    62.250  2.8787  63.491  2.8351  -1.240314      4.040377 
1 1 1 5   3   32 o 33.261  1.9880  151.183   17.524    155.969   24.501    146.171   25.075    33.823  2.7277  32.700  2.8928  1.123222       3.976013 
1 1 1 5   3   33 o 42.650  1.9991  248.352   22.696    254.728   31.893    241.811   32.304    43.223  2.7694  42.077  2.8837  1.146290       3.998166 
1 1 1 5   3   34 o 30.567  2.1372  128.827   17.250    121.930   24.257    135.884   24.536    29.711  3.0934  31.423  2.9498  -1.711634      4.274392 
1 1 1 5   3   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   3   36 o 32.241  2.2169  145.527   18.684    169.806   26.628    121.982   26.222    35.027  2.8632  29.454  3.3854  5.573141       4.433821 
1 1 1 5   3   37 o 13.711  2.8958  27.298    11.605    32.939    16.370    21.599    16.455    14.937  4.0081  12.485  4.1805  2.452512       5.791560 
1 1 1 5   3   38 o 8.6613  2.5332  3.2017    9.8149    9.0229    13.840    -2.6877   13.921    9.5667  3.7350  7.7560  3.4232  1.810714       5.066456 
1 1 1 5   3   39 o 13.757  2.9786  27.959    12.497    38.222    17.684    17.721    17.662    15.835  4.1274  11.679  4.2958  4.156274       5.957276 
1 1 1 5   3   40 o 37.303  3.1465  199.388   31.145    199.388   31.145    0.0000    0.0000    37.303  3.1465  ?       ?       ?              ?        
1 1 1 5   3   41 o 21.601  4.2961  72.343    23.981    0.0000    0.0000    72.343    23.981    ?       ?       21.601  4.2961  ?              ?        
1 1 1 5   3   42 o 10.613  4.2729  11.974    18.649    0.0000    0.0000    11.974    18.649    ?       ?       10.613  4.2729  ?              ?        
1 1 1 5   3   43 o 12.667  3.1035  24.706    13.573    35.981    18.962    12.858    19.438    14.685  4.4421  10.649  4.3354  4.035472       6.207090 
1 1 1 5   4   0  o 398.748 7.3917  21373.24  789.415   21100.37  1115.86   21646.64  1116.94   396.192 10.515  401.305 10.391  -5.113312      14.78331 
1 1 1 5   4   1  o 408.242 7.5388  22404.06  824.340   22336.70  1165.58   22471.48  1166.00   407.626 10.676  408.858 10.647  -1.232025      15.07757 
1 1 1 5   4   2  o 238.706 4.5296  7641.72   289.577   7779.45   409.640   7504.14   409.407   240.859 6.3497  236.553 6.4616  4.305771       9.059244 
1 1 1 5   4   3  f 238.071 4.5244  7601.14   288.459   7768.54   408.196   7434.15   407.689   240.693 6.3316  235.449 6.4646  5.243622       9.048812 
1 1 1 5   4   4  o 400.438 7.3830  21548.40  791.857   21387.10  1119.88   21709.69  1119.83   398.934 10.481  401.942 10.402  -3.007690      14.76597 
1 1 1 5   4   5  f 167.028 3.3431  3739.00   149.552   3689.67   211.546   3788.28   211.451   165.926 4.7599  168.130 4.6954  -2.204254      6.686111 
1 1 1 5   4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   4   7  o 144.581 2.9883  2801.15   115.712   2749.78   163.580   2852.58   163.702   143.253 4.2632  145.908 4.1888  -2.654419      5.976691 
1 1 1 5   4   8  o 193.572 3.7652  5023.21   195.161   5165.27   276.048   4881.24   275.949   196.312 5.2499  190.833 5.3987  5.478073       7.530390 
1 1 1 5   4   9  o 213.648 4.1440  6119.18   237.141   6133.02   335.286   6105.34   335.450   213.890 5.8524  213.407 5.8685  0.4837189      8.287981 
1 1 1 5   4   10 o 238.175 4.5296  7610.20   288.754   7951.31   408.589   7269.86   408.130   243.516 6.2643  232.834 6.5443  10.68161       9.059186 
1 1 1 5   4   11 o 408.705 7.5958  22459.69  831.511   22594.75  1175.98   22324.64  1175.89   409.939 10.710  407.472 10.774  2.467316       15.19164 
1 1 1 5   4   12 o 264.940 5.0419  9420.12   357.790   9470.93   505.943   9369.29   506.039   265.656 7.1104  264.224 7.1503  1.432373       10.08385 
1 1 1 5   4   13 o 178.030 3.5174  4250.26   167.728   4265.31   237.102   4235.18   237.304   178.346 4.9634  177.714 4.9853  0.6322327      7.034863 
1 1 1 5   4   14 o 153.905 3.1519  3176.81   129.922   3125.20   183.559   3228.62   183.916   152.651 4.4894  155.159 4.4254  -2.508484      6.303875 
1 1 1 5   4   15 o 37.347  1.7198  188.083   17.064    202.225   24.035    173.712   24.230    38.779  2.3247  35.915  2.5351  2.864342       3.439587 
1 1 1 5   4   16 o 143.005 2.9680  2745.04   113.657   2814.82   160.666   2675.14   160.805   144.828 4.1417  141.181 4.2524  3.646866       5.936073 
1 1 1 5   4   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   4   18 o 31.225  1.7449  131.536   14.472    133.160   20.388    129.887   20.546    31.423  2.4416  31.027  2.4934  0.3957081      3.489712 
1 1 1 5   4   19 o 46.190  1.7884  287.017   22.001    265.723   30.904    308.901   31.329    44.441  2.6077  47.939  2.4481  -3.498013      3.576721 
1 1 1 5   4   20 o 129.443 2.8069  2250.78   97.310    2277.45   137.435   2223.96   137.801   130.215 3.9405  128.671 3.9984  1.543915       5.613753 
1 1 1 5   4   21 o 246.333 4.7364  8198.88   312.486   8298.11   441.795   8099.54   442.049   247.839 6.6552  244.828 6.7409  3.010757       9.472713 
1 1 1 5   4   22 o 91.250  2.3035  1117.56   56.296    1101.21   79.332    1134.14   79.900    90.577  3.2700  91.923  3.2451  -1.345894      4.606903 
1 1 1 5   4   23 o 121.255 2.6880  1975.76   87.300    1959.94   123.167   1991.74   123.758   120.766 3.8077  121.743 3.7953  -0.9769821     5.376091 
1 1 1 5   4   24 o 114.874 2.5851  1774.29   79.527    1808.22   112.275   1740.12   112.664   115.981 3.6141  113.767 3.6973  2.214912       5.170277 
1 1 1 5   4   25 o 138.541 3.0229  2587.79   112.165   2620.91   158.393   2554.48   158.860   139.437 4.2410  137.644 4.3089  1.792938       6.045899 
1 1 1 5   4   26 o 19.133  2.7325  53.775    13.559    75.555    18.657    29.396    19.739    23.510  3.0336  14.755  4.5458  8.754145       5.465066 
1 1 1 5   4   27 o 64.862  2.0375  566.372   35.385    584.060   50.063    548.715   50.020    65.879  2.8371  63.845  2.9250  2.034191       4.074908 
1 1 1 5   4   28 o 22.607  2.1323  70.108    12.587    68.530    17.655    71.739    17.951    22.341  3.0284  22.872  3.0027  -0.5306435     4.264647 
1 1 1 5   4   29 o 90.147  2.3238  1100.18   56.110    1096.00   79.122    1104.41   79.584    89.976  3.2831  90.318  3.2897  -0.3426361     4.647685 
1 1 1 5   4   30 o 65.805  2.0817  586.426   36.677    599.867   51.592    572.691   52.151    66.579  2.8930  65.030  2.9941  1.549515       4.163431 
1 1 1 5   4   31 o 96.701  2.4176  1273.91   62.614    1254.39   88.322    1293.62   88.778    95.948  3.4367  97.454  3.4011  -1.505974      4.835116 
1 1 1 5   4   32 o 33.917  2.0807  157.639   18.690    164.411   26.236    150.662   26.631    34.686  2.8492  33.149  3.0330  1.536785       4.161353 
1 1 1 5   4   33 o 57.553  2.0491  451.695   31.529    441.365   44.378    462.222   44.801    56.844  2.9246  58.262  2.8709  -1.418167      4.098218 
1 1 1 5   4   34 o 19.464  2.6539  53.777    13.304    44.399    18.165    64.627    19.539    17.545  3.9594  21.383  3.5350  -3.837793      5.307818 
1 1 1 5   4   35 o 20.354  2.6097  59.309    13.701    57.988    19.128    60.702    19.633    20.118  3.6856  20.591  3.6956  -0.4732513     5.219329 
1 1 1 5   4   36 o 36.322  2.1249  183.739   20.483    179.517   28.925    187.986   29.010    35.886  3.0378  36.758  2.9719  -0.8723869     4.249757 
1 1 1 5   4   37 o 10.388  2.7652  12.260    10.476    13.561    14.900    10.987    14.733    10.646  3.9402  10.130  3.8807  0.5152235      5.530381 
1 1 1 5   4   38 o 10.424  2.8566  11.546    11.391    9.7040    15.770    13.556    16.473    10.031  3.9654  10.816  4.1131  -0.7850313     5.713254 
1 1 1 5   4   39 o 37.431  3.3229  207.853   27.401    202.112   31.333    226.514   56.496    37.628  3.1375  37.233  5.8585  0.3946457      6.645704 
1 1 1 5   4   40 o 34.870  3.2974  175.761   30.432    175.761   30.432    0.0000    0.0000    34.870  3.2974  ?       ?       ?              ?        
1 1 1 5   4   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   4   42 o 11.123  3.1161  13.549    14.135    24.083    20.805    4.5177    19.264    12.624  4.6593  9.6218  4.1391  3.002318       6.232281 
1 1 1 5   5   0  o 421.250 7.7812  23857.09  877.929   23588.83  1241.04   24125.83  1242.12   418.871 11.062  423.629 10.947  -4.757935      15.56250 
1 1 1 5   5   1  o 359.171 6.6658  17325.72  641.239   17121.73  906.518   17530.02  907.181   357.050 9.4789  361.293 9.3744  -4.243256      13.33154 
1 1 1 5   5   2  o 296.774 5.5544  11823.20  441.197   12355.49  624.379   11292.38  623.515   303.461 7.6817  290.087 8.0247  13.37320       11.10874 
1 1 1 5   5   3  o 681.705 12.541  62853.06  2288.83   60632.47  3235.31   65078.03  3238.50   669.534 18.041  693.875 17.425  -24.34027      25.08184 
1 1 1 5   5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   5   5  o 105.799 2.4034  1499.78   68.097    1470.08   96.427    1529.34   96.180    104.753 3.4367  106.844 3.3608  -2.091164      4.806876 
1 1 1 5   5   6  o 616.212 11.287  51228.47  1862.66   50279.86  2633.58   52177.98  2634.81   610.463 16.106  621.961 15.816  -11.49805      22.57348 
1 1 1 5   5   7  o 253.442 4.8070  8613.59   326.318   8642.14   461.569   8585.06   461.398   253.862 6.7881  253.022 6.8081  0.8406830      9.614025 
1 1 1 5   5   8  o 383.039 7.0756  19709.52  725.738   20244.23  1026.71   19175.57  1025.98   388.247 9.8731  377.831 10.138  10.41541       14.15123 
1 1 1 5   5   9  o 127.417 2.7265  2175.28   93.053    2171.76   131.485   2178.82   131.708   127.314 3.8558  127.521 3.8561  -0.2066727     5.453079 
1 1 1 5   5   10 o 107.313 2.4231  1542.93   69.645    1522.57   98.366    1563.40   98.620    106.603 3.4450  108.023 3.4085  -1.420090      4.846190 
1 1 1 5   5   11 o 314.295 5.8805  13266.71  495.042   13298.61  700.024   13234.79  700.167   314.674 8.3054  313.916 8.3272  0.7583008      11.76108 
1 1 1 5   5   12 o 123.038 2.6513  2029.00   87.370    2056.09   123.541   2001.89   123.579   123.860 3.7238  122.216 3.7751  1.644630       5.302667 
1 1 1 5   5   13 o 198.004 3.8987  5261.77   206.765   5251.45   292.308   5272.10   292.510   197.809 5.5170  198.198 5.5100  -0.3891602     7.797305 
1 1 1 5   5   14 o 226.242 4.3643  6879.49   264.457   6962.23   373.938   6796.69   374.059   227.608 6.1337  224.876 6.2103  2.732071       8.728678 
1 1 1 5   5   15 o 263.688 5.0099  9367.14   353.801   9534.51   500.342   9199.77   500.358   266.058 7.0211  261.318 7.1486  4.739441       10.01988 
1 1 1 5   5   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   5   17 o 196.996 3.9234  5222.46   207.005   5283.44   292.637   5161.38   292.862   198.153 5.5137  195.839 5.5831  2.313934       7.846734 
1 1 1 5   5   18 o 86.064  2.1934  993.758   50.553    1011.63   71.349    975.743   71.637    86.842  3.0674  85.285  3.1360  1.557251       4.386727 
1 1 1 5   5   19 o 161.905 3.3599  3525.14   145.704   3510.94   205.819   3539.40   206.294   161.578 4.7557  162.232 4.7474  -0.6548615     6.719746 
1 1 1 5   5   20 o 184.412 3.7078  4580.46   183.033   4763.28   258.810   4397.53   258.886   188.114 5.1365  180.709 5.3486  7.405045       7.415619 
1 1 1 5   5   21 o 51.116  1.9414  351.510   26.477    353.672   37.115    349.269   37.783    51.279  2.7118  50.953  2.7789  0.3266487      3.882853 
1 1 1 5   5   22 o 133.008 2.8863  2378.92   102.788   2449.80   145.235   2307.79   145.494   135.002 4.0165  131.015 4.1461  3.987061       5.772501 
1 1 1 5   5   23 o 148.285 3.1024  2960.26   123.214   2991.97   173.985   2928.36   174.518   149.087 4.3569  147.483 4.4178  1.603912       6.204846 
1 1 1 5   5   24 o 177.193 3.6001  4241.96   170.862   4237.57   241.308   4246.38   241.964   177.102 5.0870  177.284 5.0956  -0.1814728     7.200133 
1 1 1 5   5   25 f 25.161  2.2794  86.612    14.990    88.477    20.871    84.625    21.544    25.461  3.1261  24.862  3.3182  0.5990410      4.558832 
1 1 1 5   5   26 o 31.970  3.7126  139.742   31.200    0.0000    0.0000    139.742   31.200    ?       ?       31.970  3.7126  ?              ?        
1 1 1 5   5   27 o 60.971  1.9962  500.816   32.593    506.319   45.780    495.160   46.414    61.315  2.7875  60.627  2.8582  0.6881485      3.992451 
1 1 1 5   5   28 o 61.663  2.0079  512.991   33.161    504.315   46.592    521.896   47.207    61.134  2.8454  62.193  2.8338  -1.058346      4.015831 
1 1 1 5   5   29 o 37.064  1.9778  186.675   19.461    174.276   27.290    199.506   27.761    35.790  2.8709  38.337  2.7212  -2.547142      3.955640 
1 1 1 5   5   30 o 53.915  2.0024  394.181   28.825    370.737   40.456    418.356   41.081    52.231  2.9032  55.598  2.7587  -3.366817      4.004849 
1 1 1 5   5   31 f 34.470  1.9833  162.118   18.146    160.690   25.278    163.637   26.067    34.320  2.7735  34.621  2.8359  -0.3010941     3.966673 
1 1 1 5   5   32 o 24.233  2.2493  81.454    14.243    82.872    20.074    80.015    20.214    24.461  3.1361  24.006  3.2253  0.4545212      4.498596 
1 1 1 5   5   33 o 10.603  2.6672  11.050    10.382    -0.4402   14.561    22.933    14.808    8.3808  3.6017  12.825  3.9349  -4.444611      5.334401 
1 1 1 5   5   34 o 36.989  2.9815  188.908   29.288    0.0000    0.0000    188.908   29.288    ?       ?       36.989  2.9815  ?              ?        
1 1 1 5   5   35 f 31.009  2.2900  134.946   18.558    114.808   25.947    156.038   26.555    28.514  3.4688  33.504  2.9905  -4.989445      4.579949 
1 1 1 5   5   36 o 19.444  2.7559  56.811    13.910    33.678    19.573    80.417    19.773    15.064  4.5033  23.823  3.1780  -8.758554      5.511765 
1 1 1 5   5   37 o 21.464  2.7274  68.811    14.873    48.353    20.845    90.029    21.228    17.826  4.3938  25.101  3.2325  -7.274714      5.454791 
1 1 1 5   5   38 o 12.753  3.0547  23.018    12.693    29.840    17.892    16.106    18.009    14.061  4.3273  11.445  4.3128  2.616134       6.109468 
1 1 1 5   5   39 o 7.9106  3.5088  -2.9054   14.803    -2.9054   14.803    0.0000    0.0000    7.9106  3.5088  ?       ?       ?              ?        
1 1 1 5   5   40 o 23.530  3.9057  83.594    23.752    83.594    23.752    0.0000    0.0000    23.530  3.9057  ?       ?       ?              ?        
1 1 1 5   5   41 o 12.398  4.5736  22.351    20.043    0.0000    0.0000    22.351    20.043    ?       ?       12.398  4.5736  ?              ?        
1 1 1 5   6   0  o 613.665 11.272  50829.04  1852.66   49978.29  2619.10   51681.03  2621.02   608.487 16.070  618.843 15.813  -10.35577      22.54497 
1 1 1 5   6   1  o 302.640 8.0294  12314.16  650.784   12045.98  918.156   12584.92  922.554   299.318 11.452  305.961 11.257  -6.642914      16.05878 
1 1 1 5   6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   6   3  o 267.087 5.0205  9567.54   359.158   9604.90   508.072   9530.21   507.779   267.609 7.0882  266.565 7.1119  1.043793       10.04097 
1 1 1 5   6   4  o 376.968 6.9790  19092.34  704.188   18268.29  995.369   19918.06  996.375   368.799 10.076  385.137 9.6587  -16.33807      13.95794 
1 1 1 5   6   5  o 150.586 3.0884  3038.73   124.548   3109.47   176.378   2968.38   175.896   152.335 4.3227  148.837 4.4122  3.497803       6.176848 
1 1 1 5   6   6  o 105.824 2.3715  1500.31   67.217    1488.26   95.162    1512.31   94.959    105.400 3.3708  106.248 3.3367  -0.8485565     4.743005 
1 1 1 5   6   7  o 296.235 5.5883  11774.35  443.390   11654.24  627.048   11894.45  627.048   294.721 7.9433  297.749 7.8625  -3.027374      11.17654 
1 1 1 5   6   8  o 280.726 5.3481  10582.55  401.543   11261.63  568.494   9906.46   567.244   289.737 7.3254  271.715 7.7941  18.02167       10.69626 
1 1 1 5   6   9  o 417.599 7.7371  23454.16  865.422   23498.97  1223.92   23409.36  1223.86   417.999 10.932  417.198 10.952  0.8010864      15.47427 
1 1 1 5   6   10 o 282.659 5.3140  10726.12  402.295   10870.96  568.970   10581.32  568.891   284.571 7.4646  280.746 7.5653  3.825592       10.62802 
1 1 1 5   6   11 o 330.897 6.1220  14723.91  542.594   14723.47  767.158   14724.36  767.531   330.892 8.6558  330.902 8.6598  -0.9460449E-02 12.24400 
1 1 1 5   6   12 o 192.857 3.7677  4992.22   194.570   5126.33   275.154   4858.08   275.173   195.453 5.2559  190.260 5.3997  5.193100       7.535307 
1 1 1 5   6   13 o 150.946 3.0674  3057.60   123.955   2940.01   175.053   3175.86   175.546   148.029 4.4150  153.862 4.2596  -5.832916      6.134882 
1 1 1 5   6   14 o 208.539 4.0659  5846.54   227.109   5852.29   321.052   5840.79   321.308   208.643 5.7449  208.436 5.7552  0.2064362      8.131800 
1 1 1 5   6   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   6   16 o 174.298 3.5247  4085.43   164.473   4230.58   232.598   3940.26   232.603   177.407 4.8949  171.189 5.0728  6.218536       7.049393 
1 1 1 5   6   17 o 105.362 2.4293  1490.05   68.533    1534.00   96.849    1445.96   96.993    106.922 3.3817  103.802 3.4886  3.120094       4.858626 
1 1 1 5   6   18 o 126.895 2.7982  2162.58   95.108    2159.15   134.371   2166.02   134.635   126.794 3.9565  126.996 3.9580  -0.2015228     5.596459 
1 1 1 5   6   19 o 109.455 2.5169  1608.55   73.750    1542.30   103.952   1675.70   104.648   107.181 3.6210  111.729 3.4968  -4.548538      5.033817 
1 1 1 5   6   20 o 79.514  2.1601  848.299   45.994    823.775   64.799    873.198   65.294    78.354  3.0876  80.674  3.0217  -2.319427      4.320157 
1 1 1 5   6   21 o 121.682 2.6991  1990.39   87.903    2078.12   124.234   1902.43   124.393   124.377 3.7292  118.986 3.9031  5.390953       5.398234 
1 1 1 5   6   22 o 70.848  2.0576  673.649   39.044    666.738   54.984    680.679   55.451    70.481  2.9126  71.214  2.9071  -0.7333527     4.115119 
1 1 1 5   6   23 o 153.168 3.2072  3163.23   131.559   3223.32   185.843   3102.86   186.262   154.637 4.4869  151.699 4.5841  2.938522       6.414494 
1 1 1 5   6   24 o 25.916  2.1607  91.569    14.697    92.582    20.445    90.485    21.141    26.077  2.9807  25.754  3.1290  0.3228550      4.321446 
1 1 1 5   6   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   6   26 o 57.881  1.9657  451.204   30.463    460.635   42.812    441.531   43.356    58.499  2.7323  57.263  2.8267  1.236099       3.931391 
1 1 1 5   6   27 o 29.194  1.9954  116.360   15.351    123.832   21.382    108.410   22.054    30.198  2.6711  28.191  2.9651  2.006655       3.990838 
1 1 1 5   6   28 o 68.958  2.0910  642.894   38.608    620.065   54.285    666.260   54.921    67.712  2.9931  70.205  2.9207  -2.493294      4.182010 
1 1 1 5   6   29 o 16.432  2.5728  38.263    11.040    34.058    15.643    42.436    15.584    15.498  3.7980  17.367  3.4716  -1.868979      5.145528 
1 1 1 5   6   30 o 35.249  1.9665  169.529   18.395    175.732   25.795    163.110   26.239    35.927  2.7003  34.570  2.8594  1.356503       3.932918 
1 1 1 5   6   31 o 31.814  2.0814  139.193   17.465    149.883   24.449    128.055   24.957    33.114  2.7823  30.514  3.0964  2.600378       4.162835 
1 1 1 5   6   32 o 29.600  2.1073  120.681   16.478    119.770   23.073    121.630   23.541    29.491  2.9610  29.710  2.9993  -0.2193947     4.214643 
1 1 1 5   6   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   6   34 o 21.697  2.6599  69.964    14.452    92.979    20.126    45.463    20.766    25.836  2.9618  17.557  4.4191  8.279251       5.319798 
1 1 1 5   6   35 o 43.332  2.1216  261.437   24.466    265.072   34.384    257.710   34.819    43.662  2.9576  43.003  3.0426  0.6590309      4.243216 
1 1 1 5   6   36 o 26.105  2.4745  98.496    16.612    115.714   23.552    81.448    23.435    28.596  3.1258  23.614  3.8370  4.982534       4.949035 
1 1 1 5   6   37 o 17.135  2.9705  44.588    13.520    45.424    19.530    43.819    18.735    17.272  4.2504  16.999  4.1508  0.2730598      5.940984 
1 1 1 5   6   38 o 23.417  2.6631  81.062    16.108    74.539    22.453    87.979    23.121    22.358  3.8907  24.477  3.6373  -2.118841      5.326128 
1 1 1 5   6   39 o 20.598  4.1839  65.042    22.296    65.042    22.296    0.0000    0.0000    20.598  4.1839  ?       ?       ?              ?        
1 1 1 5   6   40 o 9.4872  4.5355  -29.8361  32.505    -29.8361  32.505    0.0000    0.0000    9.4872  4.5355  ?       ?       ?              ?        
1 1 1 5   6   41 o 36.771  3.3577  201.892   32.705    0.0000    0.0000    201.892   32.705    ?       ?       36.771  3.3577  ?              ?        
1 1 1 5   7   0  o 166.568 4.2191  3786.93   175.948   3525.82   304.054   3918.39   215.740   162.141 7.0012  170.995 4.7104  -8.854813      8.438252 
1 1 1 5   7   1  o 155.331 3.1757  3233.19   132.121   3194.95   186.608   3271.63   187.086   154.410 4.5120  156.253 4.4702  -1.842911      6.351408 
1 1 1 5   7   2  o 701.343 12.894  66544.79  2419.13   70481.38  3424.19   62622.07  3418.16   722.256 17.700  680.430 18.755  41.82574       25.78858 
1 1 1 5   7   3  o 260.082 4.8982  9071.13   341.221   9041.47   482.596   9100.77   482.521   259.656 6.9390  260.508 6.9152  -0.8511963     9.796426 
1 1 1 5   7   4  o 312.989 5.8476  13146.69  490.098   12799.44  692.963   13494.22  693.243   308.846 8.3768  317.133 8.1612  -8.287384      11.69516 
1 1 1 5   7   5  o 458.002 8.4494  28207.75  1036.51   27973.30  1465.85   28442.19  1465.83   456.091 11.999  459.913 11.899  -3.822235      16.89884 
1 1 1 5   7   6  o 236.865 4.5566  7524.34   289.008   7735.39   409.068   7314.02   408.369   240.186 6.3586  233.545 6.5282  6.641144       9.113120 
1 1 1 5   7   7  o 184.643 3.6465  4569.89   180.340   4593.57   255.179   4546.26   254.898   185.122 5.1464  184.165 5.1674  0.9562988      7.292931 
1 1 1 5   7   8  o 289.448 5.4712  11245.39  424.169   11315.67  600.037   11175.19  599.694   290.353 7.7155  288.542 7.7595  1.811523       10.94247 
1 1 1 5   7   9  o 173.522 3.5344  4037.01   164.271   4054.50   232.449   4019.57   232.179   173.898 4.9905  173.146 5.0063  0.7511444      7.068850 
1 1 1 5   7   10 o 142.160 2.9200  2710.18   111.122   2818.96   157.257   2601.69   157.043   145.013 4.0487  139.307 4.2088  5.705826       5.840012 
1 1 1 5   7   11 o 218.326 4.2678  6401.44   249.569   6453.93   352.902   6348.94   352.985   219.224 6.0100  217.428 6.0611  1.795425       8.535661 
1 1 1 5   7   12 o 84.421  2.1434  955.685   48.428    908.703   68.333    1003.09   68.643    82.334  3.0986  86.508  2.9625  -4.174065      4.286894 
1 1 1 5   7   13 o 72.151  1.9800  697.910   38.256    713.585   54.090    682.220   54.115    72.962  2.7678  71.339  2.8321  1.623032       3.959948 
1 1 1 5   7   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   7   15 o 61.360  1.8973  505.003   31.149    475.596   43.887    534.852   44.217    59.558  2.7511  63.163  2.6136  -3.604939      3.794683 
1 1 1 5   7   16 o 122.838 2.7294  2025.98   89.795    2056.03   126.890   1995.83   127.088   123.753 3.8281  121.923 3.8916  1.830040       5.458854 
1 1 1 5   7   17 o 68.464  2.0109  628.910   36.857    649.761   52.005    607.869   52.242    69.606  2.7894  67.321  2.8972  2.284912       4.021766 
1 1 1 5   7   18 o 78.525  2.1512  827.295   45.242    838.177   63.860    816.329   64.104    79.044  3.0163  78.005  3.0681  1.039284       4.302469 
1 1 1 5   7   19 o 57.213  1.9520  439.037   29.912    437.919   42.361    440.150   42.245    57.140  2.7678  57.286  2.7532  -0.1458244     3.903917 
1 1 1 5   7   20 o 115.803 2.6300  1801.34   81.574    1779.87   115.163   1822.96   115.564   115.109 3.7352  116.497 3.7035  -1.388153      5.260025 
1 1 1 5   7   21 o 44.279  1.9620  264.340   23.124    278.469   32.667    250.149   32.738    45.478  2.6937  43.080  2.8534  2.398083       3.923978 
1 1 1 5   7   22 o 101.288 2.4588  1379.27   66.702    1395.59   94.129    1362.81   94.535    101.893 3.4490  100.683 3.5055  1.209839       4.917685 
1 1 1 5   7   23 o 89.423  2.3179  1076.49   55.448    1136.28   78.287    1016.30   78.544    91.928  3.1795  86.917  3.3738  5.010468       4.635894 
1 1 1 5   7   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   7   25 o 127.403 2.7814  2195.60   94.905    2150.29   133.872   2241.38   134.562   126.072 3.9644  128.735 3.9024  -2.662605      5.562898 
1 1 1 5   7   26 o 49.433  1.9603  330.316   25.819    309.019   36.173    352.433   36.862    47.792  2.8385  51.073  2.7043  -3.280594      3.920501 
1 1 1 5   7   27 o 51.035  1.9559  352.531   26.629    340.979   37.366    364.454   37.961    50.178  2.7912  51.892  2.7409  -1.713749      3.911897 
1 1 1 5   7   28 o 52.233  1.9844  370.055   27.658    371.720   38.926    368.358   39.306    52.356  2.7858  52.109  2.8267  0.2474556      3.968776 
1 1 1 5   7   29 o 52.873  1.9878  379.715   28.046    378.893   39.337    380.564   39.998    52.820  2.7904  52.926  2.8318  -0.1059074     3.975573 
1 1 1 5   7   30 o 14.272  2.7563  28.913    10.910    33.154    15.281    24.503    15.582    15.256  3.7630  13.287  4.0284  1.969267       5.512562 
1 1 1 5   7   31 f 34.486  2.0685  163.354   18.894    171.321   26.508    155.126   26.937    35.376  2.8210  33.596  3.0259  1.779949       4.136959 
1 1 1 5   7   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   7   33 o 18.003  2.7214  47.406    12.787    58.896    17.987    35.668    18.180    20.370  3.4178  15.637  4.2358  4.732847       5.442753 
1 1 1 5   7   34 o 24.777  2.4560  87.459    15.799    92.563    22.046    82.070    22.654    25.605  3.2906  23.949  3.6467  1.655834       4.911908 
1 1 1 5   7   35 o 18.381  2.8347  50.153    13.569    53.723    19.056    46.480    19.326    19.117  3.8545  17.645  4.1574  1.471647       5.669322 
1 1 1 5   7   36 o 13.554  2.9528  27.159    11.779    28.635    16.909    25.768    16.418    13.867  4.1948  13.241  4.1569  0.6255531      5.905588 
1 1 1 5   7   37 o 10.179  2.8257  9.8682    11.406    4.7534    15.798    15.438    16.486    9.2306  3.8476  11.127  4.1394  -1.896843      5.651482 
1 1 1 5   7   38 o 26.992  2.4396  106.352   17.157    114.876   24.106    97.602    24.423    28.224  3.2479  25.761  3.6411  2.463045       4.879208 
1 1 1 5   7   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   7   40 o 17.631  4.2774  48.580    21.670    83.445    44.026    37.433    24.894    20.302  6.8380  14.960  5.1407  5.341828       8.554867 
1 1 1 5   8   0  o 887.293 16.368  107014.00 3889.89   105633.80 5499.70   108395.70 5502.56   881.486 23.293  893.100 23.003  -11.61438      32.73687 
1 1 1 5   8   1  o 188.541 3.6955  4764.38   186.614   4695.52   263.608   4833.56   264.218   187.174 5.2580  189.908 5.1943  -2.733215      7.391089 
1 1 1 5   8   2  o 405.429 7.5126  22082.71  815.823   22102.71  1153.63   22062.69  1153.86   405.614 10.619  405.245 10.630  0.3688354      15.02525 
1 1 1 5   8   3  o 121.585 2.6383  1980.69   85.913    1949.92   121.473   2011.50   121.524   120.640 3.7592  122.531 3.7028  -1.890854      5.276608 
1 1 1 5   8   4  o 291.120 5.5433  11371.90  432.174   11617.05  611.556   11127.34  610.818   294.260 7.7592  287.980 7.9188  6.279663       11.08659 
1 1 1 5   8   5  o 185.460 3.6749  4610.33   182.546   4649.47   258.395   4571.32   257.924   186.246 5.1797  184.673 5.2143  1.572861       7.349759 
1 1 1 5   8   6  o 321.984 6.0510  13926.95  521.464   13297.32  737.162   14557.59  737.763   314.678 8.7460  329.290 8.3647  -14.61234      12.10204 
1 1 1 5   8   7  o 430.803 8.0113  24988.78  924.276   24472.99  1306.92   25504.89  1307.33   426.332 11.445  435.274 11.213  -8.942047      16.02258 
1 1 1 5   8   8  o 166.447 3.3740  3714.80   150.412   3671.17   212.798   3758.36   212.631   165.469 4.8013  167.425 4.7415  -1.955917      6.747942 
1 1 1 5   8   9  o 130.366 2.8746  2278.58   100.372   2257.14   142.050   2299.96   141.846   129.752 4.0873  130.979 4.0432  -1.226578      5.749232 
1 1 1 5   8   10 o 296.989 5.6409  11877.17  448.555   11497.15  634.104   12257.79  634.601   292.209 8.1017  301.769 7.8512  -9.560760      11.28183 
1 1 1 5   8   11 o 150.376 3.1138  3034.56   125.408   3074.24   177.406   2994.94   177.302   151.360 4.3759  149.392 4.4310  1.968567       6.227510 
1 1 1 5   8   12 o 91.529  2.2550  1123.36   55.282    1129.81   78.126    1116.89   78.236    91.792  3.1776  91.265  3.2005  0.5268326      4.510026 
1 1 1 5   8   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   8   14 o 92.345  2.2231  1143.79   54.985    1133.39   77.650    1154.25   77.873    91.924  3.1537  92.767  3.1340  -0.8429871     4.446133 
1 1 1 5   8   15 o 200.159 3.9691  5393.78   212.772   5302.69   300.666   5485.15   301.145   198.458 5.6562  201.860 5.5698  -3.401688      7.938205 
1 1 1 5   8   16 o 48.442  1.8565  315.625   23.994    320.277   33.832    310.918   34.035    48.805  2.5974  48.080  2.6531  0.7246857      3.712918 
1 1 1 5   8   17 o 146.328 3.1026  2878.00   121.588   2927.03   171.802   2828.81   172.101   147.581 4.3462  145.075 4.4290  2.506943       6.205249 
1 1 1 5   8   18 o 138.484 2.9560  2577.03   109.643   2547.49   154.758   2606.79   155.361   137.686 4.1964  139.283 4.1644  -1.596878      5.912016 
1 1 1 5   8   19 o 83.965  2.1903  946.088   49.259    941.032   69.390    951.224   69.938    83.739  3.0937  84.191  3.1014  -0.4518204     4.380626 
1 1 1 5   8   20 o 107.878 2.5471  1563.58   73.592    1532.40   103.770   1595.13   104.381   106.794 3.6278  108.963 3.5765  -2.169083      5.094286 
1 1 1 5   8   21 o 62.490  2.0255  524.256   33.902    520.466   47.687    528.128   48.206    62.262  2.8595  62.718  2.8696  -0.4560699     4.051080 
1 1 1 5   8   22 o 139.372 3.0237  2620.49   112.845   2685.90   159.316   2554.64   159.858   141.132 4.2145  137.613 4.3370  3.519470       6.047415 
1 1 1 5   8   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   8   24 o 89.365  2.3076  1076.78   55.215    1039.20   77.838    1114.83   78.336    87.787  3.3103  90.943  3.2159  -3.155853      4.615211 
1 1 1 5   8   25 o 139.361 3.0216  2639.28   112.776   2582.99   159.053   2696.19   159.929   137.851 4.3077  140.872 4.2385  -3.021194      6.043275 
1 1 1 5   8   26 o 43.629  1.9452  257.973   22.603    267.299   31.930    248.605   32.000    44.433  2.6957  42.826  2.8052  1.607300       3.890473 
1 1 1 5   8   27 o 24.450  2.1258  82.204    13.608    84.343    18.936    79.919    19.570    24.805  2.9051  24.096  3.1044  0.7086639      4.251683 
1 1 1 5   8   28 o 44.605  1.9766  270.956   23.441    287.685   32.873    253.649   33.435    46.041  2.6772  43.170  2.9086  2.871307       3.953137 
1 1 1 5   8   29 o 9.6173  2.4044  7.1788    9.0286    -7.2540   12.984    20.693    12.564    7.0355  3.1896  12.199  3.5987  -5.163747      4.808717 
1 1 1 5   8   30 o 33.792  2.0786  156.774   18.408    129.100   25.540    186.687   26.554    30.601  3.1616  36.983  2.6993  -6.381664      4.157150 
1 1 1 5   8   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   8   32 o 14.215  2.8647  28.649    11.911    17.848    16.799    39.568    16.891    11.903  4.2139  16.526  3.8820  -4.622622      5.729470 
1 1 1 5   8   33 o 18.152  2.7483  48.526    13.128    66.182    18.748    31.540    18.389    21.592  3.3503  14.712  4.3574  6.879354       5.496518 
1 1 1 5   8   34 o 25.590  2.3953  93.242    15.992    98.949    22.795    87.712    22.440    26.412  3.2938  24.767  3.4785  1.644604       4.790524 
1 1 1 5   8   35 o 15.940  2.9185  38.127    12.672    31.247    17.730    45.312    18.119    14.456  4.2780  17.423  3.9710  -2.967432      5.836927 
1 1 1 5   8   36 o 37.544  2.2041  199.793   21.908    182.395   30.509    218.318   31.481    35.780  3.2179  39.308  3.0130  -3.527927      4.408243 
1 1 1 5   8   37 o 39.621  2.2668  224.178   23.662    191.794   32.869    259.015   34.091    36.480  3.4031  42.762  2.9953  -6.281548      4.533589 
1 1 1 5   8   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   8   39 o 27.114  3.5870  110.133   25.411    110.133   25.411    0.0000    0.0000    27.114  3.5870  ?       ?       ?              ?        
1 1 1 5   9   0  o 397.777 7.3588  21256.12  783.950   20877.20  1107.95   21636.03  1109.40   394.217 10.493  401.337 10.320  -7.120575      14.71761 
1 1 1 5   9   1  o 183.563 3.6579  4516.07   179.846   4485.87   254.038   4546.41   254.643   182.947 5.1842  184.178 5.1618  -1.231155      7.315794 
1 1 1 5   9   2  o 46.537  1.8058  291.115   22.407    303.083   31.666    279.114   31.711    47.502  2.4976  45.573  2.6087  1.928871       3.611551 
1 1 1 5   9   3  o 297.214 5.5526  11855.15  441.936   12145.33  625.255   11565.46  624.728   300.856 7.7591  293.572 7.9449  7.283569       11.10515 
1 1 1 5   9   4  o 548.721 10.112  40611.96  1486.26   40500.47  2101.93   40723.45  2101.84   547.962 14.321  549.479 14.281  -1.517273      20.22485 
1 1 1 5   9   5  o 259.750 4.9476  9053.53   344.215   8992.16   486.978   9114.81   486.609   258.868 7.0233  260.631 6.9705  -1.763367      9.895199 
1 1 1 5   9   6  o 435.615 8.1020  25572.64  945.290   25848.23  1337.33   25297.46  1336.35   437.974 11.400  433.256 11.516  4.718445       16.20393 
1 1 1 5   9   7  o 239.650 4.5713  7711.43   293.361   7916.13   415.256   7507.49   414.494   242.833 6.3844  236.467 6.5442  6.365021       9.142610 
1 1 1 5   9   8  o 316.336 5.8925  13470.16  499.267   13432.58  706.166   13507.72  705.973   315.893 8.3460  316.780 8.3204  -0.8872070     11.78490 
1 1 1 5   9   9  o 305.085 5.7609  12541.07  470.760   12533.04  665.853   12549.09  665.658   304.986 8.1510  305.183 8.1433  -0.1970520     11.52179 
1 1 1 5   9   10 o 176.654 3.5347  4190.87   167.245   4155.42   236.576   4226.29   236.464   175.905 5.0212  177.403 4.9764  -1.498123      7.069411 
1 1 1 5   9   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   9   12 o 112.503 2.5525  1698.31   76.908    1728.11   108.838   1668.58   108.689   113.491 3.5804  111.516 3.6388  1.975174       5.104940 
1 1 1 5   9   13 o 189.479 3.7723  4829.49   191.443   4777.16   270.613   4881.93   270.869   188.447 5.3613  190.511 5.3083  -2.063507      7.544605 
1 1 1 5   9   14 o 103.997 2.4514  1451.34   68.284    1444.71   96.509    1457.98   96.628    103.759 3.4726  104.235 3.4610  -0.4760056     4.902795 
1 1 1 5   9   15 o 188.142 3.7598  4764.51   189.434   4656.90   267.680   4872.47   268.121   186.004 5.3728  190.280 5.2608  -4.276169      7.519506 
1 1 1 5   9   16 o 64.902  2.0244  565.426   35.155    594.496   49.641    536.179   49.792    66.579  2.7836  63.224  2.9402  3.354954       4.048898 
1 1 1 5   9   17 o 49.964  1.9228  336.152   25.600    354.516   36.097    317.569   36.311    51.349  2.6334  48.578  2.8026  2.770584       3.845667 
1 1 1 5   9   18 o 188.354 3.7230  4779.45   187.816   4708.45   265.272   4850.81   265.953   186.944 5.2977  189.763 5.2324  -2.818848      7.446098 
1 1 1 5   9   19 o 184.253 3.7155  4577.92   183.361   4523.23   258.974   4632.89   259.652   183.144 5.2793  185.363 5.2298  -2.218750      7.431084 
1 1 1 5   9   20 o 79.406  2.1649  846.825   46.029    816.592   64.766    877.679   65.428    77.971  3.1012  80.841  3.0217  -2.869835      4.329873 
1 1 1 5   9   21 o 87.965  2.2659  1040.44   53.385    1047.72   75.340    1033.09   75.656    88.277  3.1863  87.654  3.2224  0.6226044      4.531736 
1 1 1 5   9   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   9   23 o 61.323  1.9906  506.502   32.656    535.534   46.181    477.468   46.183    63.090  2.7328  59.555  2.8952  3.535179       3.981247 
1 1 1 5   9   24 o 9.9710  2.4973  10.713    8.6902    4.2447    12.237    17.293    12.343    8.5466  3.4541  11.395  3.6077  -2.848842      4.994647 
1 1 1 5   9   25 o 76.829  2.1898  797.908   45.059    782.331   63.430    813.777   64.022    76.068  3.1131  77.590  3.0806  -1.521355      4.379694 
1 1 1 5   9   26 o 73.535  2.1404  731.924   42.153    714.322   59.241    749.973   59.991    72.635  3.0450  74.435  3.0090  -1.800018      4.280898 
1 1 1 5   9   27 o 41.521  1.9586  234.358   21.652    237.392   30.415    231.241   30.829    41.803  2.7314  41.239  2.8077  0.5639534      3.917124 
1 1 1 5   9   28 o 9.2175  2.5389  6.5126    9.2553    11.818    13.065    1.1680    13.113    10.195  3.7030  8.2396  3.4745  1.955783       5.077827 
1 1 1 5   9   29 f 24.809  2.2475  85.471    14.479    74.199    20.323    97.089    20.633    23.063  3.3910  26.556  2.9507  -3.492256      4.495057 
1 1 1 5   9   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   9   31 o 27.515  2.3556  107.190   16.362    76.766    22.831    139.320   23.462    23.223  3.8020  31.807  2.7819  -8.583851      4.711119 
1 1 1 5   9   32 o 44.348  2.1015  272.091   24.812    268.670   34.623    275.703   35.576    44.071  2.9501  44.626  2.9937  -0.5545502     4.202954 
1 1 1 5   9   33 o 27.992  2.2935  110.617   16.874    111.799   23.743    109.410   23.986    28.161  3.2048  27.822  3.2819  0.3389912      4.587059 
1 1 1 5   9   34 o 34.640  2.2664  170.374   20.268    129.226   28.070    215.195   29.296    30.006  3.5621  39.275  2.8033  -9.268776      4.532858 
1 1 1 5   9   35 o 17.906  2.8395  49.334    14.152    22.235    20.004    76.485    20.024    12.781  4.5904  23.031  3.3436  -10.25048      5.679043 
1 1 1 5   9   36 o 25.308  2.5427  93.738    16.667    102.439   23.477    84.896    23.666    26.639  3.3654  23.978  3.8125  2.660694       5.085377 
1 1 1 5   9   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   9   38 o 20.818  4.2582  67.810    22.944    67.810    22.944    0.0000    0.0000    20.818  4.2582  ?       ?       ?              ?        
1 1 1 5   10  0  o 346.764 6.4813  16146.32  601.983   16160.28  850.905   16132.33  851.762   346.915 9.1573  346.613 9.1745  0.3019104      12.96261 
1 1 1 5   10  1  o 123.236 2.6756  2035.89   88.265    2114.04   124.639   1957.27   125.012   125.611 3.7046  120.862 3.8617  4.749550       5.351290 
1 1 1 5   10  2  o 360.170 6.6778  17429.35  644.203   17557.44  910.996   17301.24  911.084   361.498 9.4085  358.842 9.4791  2.655823       13.35565 
1 1 1 5   10  3  o 554.099 10.243  41477.15  1519.71   42739.05  2150.14   40217.48  2148.24   562.592 14.269  545.606 14.700  16.98584       20.48617 
1 1 1 5   10  4  o 211.244 4.0907  5986.13   231.435   5891.11   327.300   6081.15   327.298   209.564 5.8310  212.923 5.7389  -3.358734      8.181402 
1 1 1 5   10  5  f 317.391 5.9215  13545.68  503.383   13702.95  712.245   13388.73  711.536   319.238 8.3296  315.544 8.4188  3.694855       11.84307 
1 1 1 5   10  6  o 122.254 2.6740  2003.61   87.559    2022.70   124.086   1984.68   123.569   122.835 3.7715  121.674 3.7916  1.160713       5.347945 
1 1 1 5   10  7  o 311.211 5.8787  13047.63  490.026   13122.33  693.318   12973.06  692.684   312.106 8.2936  310.317 8.3338  1.789063       11.75733 
1 1 1 5   10  8  o 49.037  1.7661  322.756   23.149    316.271   32.855    329.148   32.622    48.514  2.5372  49.560  2.4575  -1.046410      3.532242 
1 1 1 5   10  9  o 164.730 4.7919  3659.97   211.071   3852.00   295.923   3461.11   301.143   169.167 6.5309  160.292 7.0141  8.874802       9.583844 
1 1 1 5   10  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   10  11 o 97.609  2.3355  1277.99   61.059    1290.08   86.505    1266.00   86.196    98.070  3.2932  97.149  3.3125  0.9205399      4.671000 
1 1 1 5   10  12 o 54.107  1.8313  392.509   26.538    387.858   37.587    397.132   37.475    53.787  2.6090  54.427  2.5706  -0.6400642     3.662627 
1 1 1 5   10  13 o 42.792  1.8261  246.407   20.831    249.819   29.513    243.019   29.407    43.090  2.5688  42.495  2.5961  0.5947227      3.652145 
1 1 1 5   10  14 f 117.143 2.6434  1842.30   82.938    1857.49   117.289   1827.10   117.295   117.627 3.7227  116.658 3.7538  0.9687500      5.286764 
1 1 1 5   10  15 o 71.099  2.0678  678.143   39.364    654.130   55.535    702.387   55.803    69.832  2.9691  72.366  2.8789  -2.533478      4.135678 
1 1 1 5   10  16 o 138.134 2.9476  2564.18   109.046   2603.08   154.132   2525.20   154.298   139.187 4.1343  137.081 4.2024  2.105515       5.895124 
1 1 1 5   10  17 o 248.951 4.7998  8383.16   320.019   8234.70   452.263   8532.04   452.888   246.723 6.8437  251.178 6.7316  -4.455780      9.599551 
1 1 1 5   10  18 o 147.312 3.1367  2920.74   123.762   2888.59   174.818   2953.04   175.234   146.496 4.4552  148.128 4.4167  -1.631638      6.273438 
1 1 1 5   10  19 o 108.634 2.5408  1586.86   73.930    1571.79   104.322   1602.07   104.785   108.115 3.6025  109.154 3.5840  -1.038818      5.081616 
1 1 1 5   10  20 o 43.718  1.9888  258.233   22.996    220.867   32.104    297.606   32.955    40.431  2.9856  47.004  2.6281  -6.573097      3.977562 
1 1 1 5   10  21 o 76.695  4.1377  796.590   84.684    0.0000    0.0000    796.590   84.684    ?       ?       76.695  4.1377  ?              ?        
1 1 1 5   10  22 o 52.951  1.9357  377.897   27.382    361.799   38.667    394.089   38.780    51.776  2.7986  54.126  2.6749  -2.350075      3.871341 
1 1 1 5   10  23 o 99.893  2.4697  1350.77   65.971    1435.96   93.160    1265.06   93.434    103.088 3.3739  96.698  3.6074  6.390068       4.939316 
1 1 1 5   10  24 f 42.000  1.9350  239.289   21.613    251.736   30.354    226.488   30.783    43.130  2.6402  40.869  2.8295  2.260704       3.869944 
1 1 1 5   10  25 o 93.605  2.3913  1188.96   59.937    1149.37   84.324    1229.39   85.210    92.016  3.4214  95.194  3.3419  -3.178558      4.782683 
1 1 1 5   10  26 o 22.241  2.2499  68.442    13.017    66.174    18.311    70.759    18.508    21.852  3.2254  22.631  3.1378  -0.7780132     4.499847 
1 1 1 5   10  27 o 17.283  2.5577  42.661    11.547    28.276    16.130    57.783    16.538    14.173  4.0480  20.394  3.1274  -6.220865      5.115379 
1 1 1 5   10  28 o 48.626  2.0171  322.325   26.146    310.309   36.707    334.700   37.250    47.693  2.8870  49.560  2.8178  -1.866261      4.034225 
1 1 1 5   10  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   10  30 o 24.436  2.3091  83.614    14.709    79.075    20.870    88.095    20.735    23.730  3.3790  25.142  3.1481  -1.411831      4.618258 
1 1 1 5   10  31 o 17.452  2.8112  44.446    13.158    28.309    18.270    61.832    18.965    14.079  4.3794  20.825  3.5258  -6.745463      5.622303 
1 1 1 5   10  32 o 38.904  2.1213  210.913   21.921    216.644   30.844    205.065   31.161    39.471  2.9385  38.336  3.0601  1.134399       4.242560 
1 1 1 5   10  33 o 13.567  2.9749  26.290    12.146    19.105    16.675    34.410    17.728    11.958  4.2018  15.176  4.2124  -3.217652      5.949728 
1 1 1 5   10  34 o 21.849  2.6720  70.350    14.923    55.712    20.795    85.892    21.428    19.256  4.1539  24.441  3.3622  -5.185244      5.344089 
1 1 1 5   10  35 o 13.236  3.1097  24.664    13.238    34.254    19.188    15.954    18.286    14.991  4.4537  11.480  4.3411  3.511610       6.219348 
1 1 1 5   10  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   10  37 o 28.861  2.5601  123.940   19.265    132.810   26.945    114.664   27.555    30.090  3.4030  27.632  3.8257  2.458164       5.120204 
1 1 1 5   11  0  o 189.045 3.7451  4791.60   189.613   4702.81   267.638   4881.09   268.670   187.285 5.3353  190.805 5.2570  -3.520004      7.490107 
1 1 1 5   11  1  o 70.571  1.9571  667.115   36.989    653.975   52.016    680.558   52.611    69.868  2.7795  71.274  2.7559  -1.406052      3.914135 
1 1 1 5   11  2  o 140.102 2.9773  2631.28   111.718   2664.14   157.868   2598.33   158.117   140.979 4.1807  139.225 4.2401  1.753830       5.954548 
1 1 1 5   11  3  o 230.872 4.4702  7160.18   276.139   7545.14   390.803   6776.33   390.238   237.088 6.1540  224.657 6.4852  12.43172       8.940322 
1 1 1 5   11  4  o 109.859 2.5437  1617.81   74.848    1629.11   105.927   1606.55   105.776   110.242 3.5873  109.475 3.6073  0.7666626      5.087382 
1 1 1 5   11  5  o 164.422 3.3185  3627.38   146.148   3617.71   206.850   3637.02   206.520   164.203 4.7031  164.642 4.6831  -0.4388733     6.637084 
1 1 1 5   11  6  o 55.652  1.8337  415.456   27.305    395.668   38.784    434.901   38.447    54.335  2.6649  56.968  2.5197  -2.632313      3.667490 
1 1 1 5   11  7  o 217.720 4.2872  6375.23   249.981   6504.55   353.942   6246.52   353.113   219.932 6.0083  215.509 6.1173  4.422607       8.574465 
1 1 1 5   11  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   11  9  o 45.058  1.7779  272.996   21.364    282.794   30.334    263.352   30.093    45.865  2.4784  44.251  2.5498  1.614635       3.555788 
1 1 1 5   11  10 o 230.378 4.4653  7150.99   275.521   7071.93   389.721   7230.00   389.570   229.097 6.3510  231.659 6.2784  -2.562149      8.930502 
1 1 1 5   11  11 o 169.936 3.4277  3882.32   156.007   3827.23   220.677   3937.36   220.579   168.726 4.8830  171.146 4.8118  -2.420013      6.855454 
1 1 1 5   11  12 o 99.219  2.3443  1320.88   62.295    1345.86   88.276    1296.10   87.922    100.155 3.2906  98.283  3.3399  1.871803       4.688608 
1 1 1 5   11  13 o 191.136 3.8287  4920.81   195.793   5196.92   277.286   4646.27   276.501   196.513 5.2680  185.760 5.5572  10.75288       7.657329 
1 1 1 5   11  14 o 236.205 4.6286  7530.76   292.801   7665.82   414.216   7395.87   413.951   238.338 6.4885  234.072 6.6025  4.265747       9.257115 
1 1 1 5   11  15 o 210.183 4.1215  5955.87   232.026   5936.94   328.066   5974.82   328.202   209.847 5.8367  210.519 5.8205  -0.6722717     8.242911 
1 1 1 5   11  16 o 140.178 2.9851  2642.32   112.059   2704.89   158.530   2579.84   158.421   141.844 4.1727  138.513 4.2700  3.330246       5.970280 
1 1 1 5   11  17 o 23.607  2.1055  75.922    12.974    68.648    18.041    83.713    18.672    22.403  3.0887  24.811  2.8622  -2.408270      4.210932 
1 1 1 5   11  18 o 105.687 2.5272  1502.08   71.535    1478.93   100.985   1525.39   101.348   104.867 3.5953  106.506 3.5526  -1.639702      5.054420 
1 1 1 5   11  19 o 52.634  3.8625  375.191   54.073    375.191   54.073    0.0000    0.0000    52.634  3.8625  ?       ?       ?              ?        
1 1 1 5   11  20 o 36.395  1.9355  179.127   18.712    187.823   26.511    170.493   26.416    37.288  2.6721  35.501  2.8008  1.787006       3.870951 
1 1 1 5   11  21 o 80.998  2.1933  884.508   47.545    923.938   67.147    844.863   67.330    82.821  3.0269  79.175  3.1749  3.646111       4.386574 
1 1 1 5   11  22 o 49.605  1.9697  333.080   26.002    359.229   36.790    306.980   36.755    51.577  2.6722  47.633  2.8946  3.944595       3.939492 
1 1 1 5   11  23 o 65.602  2.0842  581.421   36.609    596.986   51.649    565.705   51.899    66.494  2.8999  64.711  2.9943  1.782890       4.168382 
1 1 1 5   11  24 o 57.156  2.0108  442.428   30.703    460.073   43.302    424.588   43.541    58.353  2.7705  55.958  2.9151  2.395424       4.021619 
1 1 1 5   11  25 o 41.264  1.9565  231.270   21.495    226.769   30.070    235.974   30.739    40.853  2.7643  41.676  2.7694  -0.8235817     3.912959 
1 1 1 5   11  26 o 33.471  2.0196  153.452   17.842    169.290   25.168    137.453   25.296    35.262  2.6849  31.680  3.0176  3.581606       4.039145 
1 1 1 5   11  27 o 33.346  2.0597  152.258   18.206    152.146   25.446    152.376   26.060    33.342  2.8775  33.349  2.9478  -0.7537842E-02 4.119406 
1 1 1 5   11  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   11  29 o 57.788  2.1135  458.629   32.601    454.196   45.958    463.119   46.254    57.504  2.9942  58.072  2.9838  -0.5687256     4.227063 
1 1 1 5   11  30 o 81.555  2.3534  921.668   51.392    940.732   72.329    902.231   73.033    82.450  3.2752  80.660  3.3804  1.789650       4.706831 
1 1 1 5   11  31 o 10.250  2.5414  7.4546    10.368    26.091    14.785    -10.5712  14.541    13.414  3.8889  7.0864  3.2728  6.327602       5.082757 
1 1 1 5   11  32 o 29.783  2.2718  125.619   17.775    135.764   25.127    115.459   25.148    31.072  3.0588  28.493  3.3597  2.578924       4.543513 
1 1 1 5   11  33 o 32.504  2.2690  150.103   19.462    156.434   27.238    143.499   27.818    33.275  3.0914  31.733  3.3221  1.542376       4.537993 
1 1 1 5   11  34 o 21.757  2.7726  70.167    15.554    65.895    21.764    74.627    22.236    21.018  4.0124  22.496  3.8274  -1.478127      5.545149 
1 1 1 5   11  35 o 12.348  5.4954  0.3138    36.603    0.3138    36.603    0.0000    0.0000    12.348  5.4954  ?       ?       ?              ?        
1 1 1 5   11  36 f 23.223  2.8513  82.463    16.890    64.274    23.619    101.496   24.162    20.218  4.4795  26.228  3.5289  -6.009796      5.702524 
1 1 1 5   12  0  o 61.368  1.9018  504.835   31.204    466.508   43.854    544.139   44.409    59.007  2.7747  63.729  2.6016  -4.722515      3.803599 
1 1 1 5   12  1  o 65.203  1.9090  569.570   33.330    550.685   46.855    588.916   47.423    64.108  2.7287  66.297  2.6706  -2.188660      3.818080 
1 1 1 5   12  2  o 405.014 7.5856  22170.49  822.507   22968.88  1163.62   21373.24  1162.78   412.368 10.535  397.661 10.917  14.70612       15.17118 
1 1 1 5   12  3  o 261.837 5.0123  9222.77   351.527   9182.69   497.004   9262.89   497.264   261.266 7.1021  262.409 7.0749  -1.142883      10.02470 
1 1 1 5   12  4  o 78.585  2.0707  827.786   43.587    831.249   61.649    824.325   61.633    78.749  2.9227  78.421  2.9342  0.3289185      4.141500 
1 1 1 5   12  5  o 61.223  2.6815  502.225   43.592    446.676   59.556    566.331   63.978    57.572  3.8848  64.873  3.6973  -7.301117      5.362986 
1 1 1 5   12  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   12  7  f 117.267 2.6539  1845.28   83.355    1837.59   118.151   1852.89   117.616   117.023 3.7694  117.511 3.7368  -0.4880066     5.307731 
1 1 1 5   12  8  o 215.504 4.2272  6252.46   243.997   6310.56   345.405   6194.59   344.724   216.508 5.9562  214.501 6.0000  2.006912       8.454365 
1 1 1 5   12  9  o 140.459 2.9905  2650.03   112.459   2746.54   159.374   2554.32   158.709   143.013 4.1606  137.906 4.2967  5.107758       5.980938 
1 1 1 5   12  10 o 90.055  2.2763  1088.11   54.877    1133.54   77.891    1043.33   77.329    91.924  3.1635  88.186  3.2738  3.738556       4.552534 
1 1 1 5   12  11 f 112.307 2.6123  1693.26   78.573    1669.25   111.283   1717.13   110.956   111.511 3.7258  113.103 3.6626  -1.592300      5.224578 
1 1 1 5   12  12 o 174.446 3.5491  4093.76   165.811   4171.06   234.697   4016.73   234.286   176.097 4.9758  172.795 5.0621  3.301590       7.098129 
1 1 1 5   12  13 o 81.051  2.1869  881.347   47.474    878.992   67.338    883.676   66.941    80.942  3.1060  81.159  3.0794  -0.2166061     4.373768 
1 1 1 5   12  14 o 39.938  1.9084  214.906   20.292    214.861   28.951    214.950   28.450    39.932  2.7230  39.944  2.6746  -0.1255798E-01 3.816854 
1 1 1 5   12  15 o 79.356  2.1559  845.305   45.817    828.522   64.881    861.998   64.709    78.568  3.0831  80.143  3.0144  -1.575447      4.311855 
1 1 1 5   12  16 o 95.807  2.3714  1233.31   60.830    1275.50   86.174    1191.40   85.881    97.445  3.3017  94.168  3.4049  3.276192       4.742798 
1 1 1 5   12  17 o 124.837 2.7514  2097.96   91.991    2132.11   130.154   2063.88   130.037   125.857 3.8609  123.817 3.9210  2.040085       5.502800 
1 1 1 5   12  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   12  19 o 43.605  1.9085  256.724   22.137    237.113   31.123    276.805   31.493    41.901  2.7890  45.309  2.6061  -3.407742      3.817091 
1 1 1 5   12  20 o 34.697  1.9209  162.975   17.704    157.661   24.915    168.395   25.162    34.118  2.7497  35.276  2.6831  -1.158360      3.841888 
1 1 1 5   12  21 o 135.653 2.9902  2500.29   108.643   2513.78   153.436   2486.73   153.855   136.028 4.2112  135.278 4.2461  0.7499390      5.980311 
1 1 1 5   12  22 o 61.755  2.0090  514.909   33.223    528.806   46.985    501.013   46.983    62.595  2.8024  60.915  2.8795  1.680222       4.018101 
1 1 1 5   12  23 o 67.672  2.1033  619.577   38.124    614.386   53.792    624.816   54.039    67.386  2.9803  67.958  2.9688  -0.5722122     4.206634 
1 1 1 5   12  24 o 48.840  1.9893  323.877   25.896    309.317   36.494    338.643   36.752    47.717  2.8686  49.962  2.7570  -2.244534      3.978674 
1 1 1 5   12  25 o 42.962  1.9940  250.974   22.789    234.101   31.751    268.902   32.729    41.454  2.8774  44.471  2.7614  -3.016350      3.988023 
1 1 1 5   12  26 o 59.901  2.0723  487.827   33.247    484.867   46.738    490.860   47.306    59.720  2.9218  60.083  2.9395  -0.3625069     4.144621 
1 1 1 5   12  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   12  28 o 15.104  2.8264  32.906    11.761    25.973    16.647    39.817    16.619    13.583  4.1730  16.625  3.8132  -3.041895      5.652820 
1 1 1 5   12  29 o 49.818  2.0922  342.851   27.742    361.643   38.990    323.582   39.481    51.258  2.8512  48.377  3.0628  2.881363       4.184449 
1 1 1 5   12  30 o 36.176  2.1585  182.419   20.715    183.283   29.067    181.527   29.530    36.279  3.0186  36.073  3.0860  0.2064362      4.316910 
1 1 1 5   12  31 o 15.502  2.9463  35.833    12.496    36.913    17.233    34.635    18.146    15.759  4.0582  15.246  4.2724  0.5126410      5.892579 
1 1 1 5   12  32 o 9.9947  2.7495  7.8426    11.257    -2.8497   16.031    18.243    15.811    8.3232  3.6736  11.666  4.0918  -3.342904      5.498915 
1 1 1 5   12  33 o 23.757  2.6100  82.398    16.008    73.505    22.333    91.794    22.956    22.317  3.8767  25.196  3.4957  -2.878893      5.220070 
1 1 1 5   12  34 o 48.631  5.7869  380.591   73.897    380.591   73.897    0.0000    0.0000    48.631  5.7869  ?       ?       ?              ?        
1 1 1 5   12  35 o 12.639  3.1481  23.022    13.304    26.027    18.698    19.940    18.935    13.187  4.4563  12.092  4.4478  1.094584       6.296143 
1 1 1 5   12  36 o 14.590  2.8945  32.291    13.451    10.115    18.937    54.870    19.109    10.379  4.2583  18.801  3.9215  -8.421717      5.788919 
1 1 1 5   13  0  o 398.515 7.4438  21478.24  794.556   21583.73  1123.21   21372.57  1124.13   399.506 10.497  397.524 10.558  1.981445       14.88763 
1 1 1 5   13  1  f 105.410 2.4283  1490.02   68.548    1514.75   96.684    1465.02   97.200    106.291 3.3960  104.529 3.4717  1.761742       4.856512 
1 1 1 5   13  2  o 266.125 5.0603  9537.35   360.688   9425.99   509.701   9649.05   510.480   264.561 7.1928  267.689 7.1197  -3.127075      10.12060 
1 1 1 5   13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   13  4  o 165.351 6.7045  3682.82   296.937   0.0000    0.0000    3682.82   296.937   ?       ?       165.351 6.7045  ?              ?        
1 1 1 5   13  5  o 275.440 5.2781  10238.41  389.397   10200.33  550.836   10276.46  550.547   274.923 7.4803  275.957 7.4484  -1.032959      10.55626 
1 1 1 5   13  6  o 137.338 2.9312  2532.37   107.824   2549.05   152.775   2515.82   152.199   137.790 4.1395  136.887 4.1511  0.9021149      5.862316 
1 1 1 5   13  7  o 101.252 2.3933  1375.37   64.906    1384.71   92.072    1366.15   91.511    101.594 3.3836  100.910 3.3857  0.6833496      4.786598 
1 1 1 5   13  8  o 149.125 3.1585  2988.08   126.147   2950.11   178.691   3025.80   178.109   148.176 4.5023  150.073 4.4309  -1.896622      6.316943 
1 1 1 5   13  9  o 246.994 4.7541  8232.66   314.489   8107.93   444.904   8357.22   444.605   245.109 6.7767  248.878 6.6696  -3.769379      9.508249 
1 1 1 5   13  10 o 53.601  1.9682  386.370   28.157    382.255   40.000    390.412   39.643    53.315  2.8110  53.887  2.7558  -0.5716248     3.936488 
1 1 1 5   13  11 o 105.857 2.4835  1504.05   70.415    1497.18   99.775    1510.87   99.391    105.615 3.5270  106.099 3.4974  -0.4837875     4.967052 
1 1 1 5   13  12 o 55.099  1.9580  407.669   28.848    412.335   40.996    403.093   40.601    55.447  2.7604  54.752  2.7776  0.6955490      3.915974 
1 1 1 5   13  13 o 89.797  2.2829  1082.28   54.903    1099.64   77.834    1065.09   77.458    90.515  3.2104  89.079  3.2464  1.435608       4.565708 
1 1 1 5   13  14 o 25.692  2.0544  90.358    13.699    75.110    19.360    105.649   19.387    23.443  3.1641  27.941  2.6211  -4.498304      4.108773 
1 1 1 5   13  15 o 185.473 3.7544  4646.23   186.482   4546.15   263.694   4746.37   263.757   183.458 5.3663  187.488 5.2522  -4.030014      7.508844 
1 1 1 5   13  16 o 85.242  2.2120  976.572   50.505    979.149   71.488    974.004   71.363    85.355  3.1269  85.130  3.1297  0.2247925      4.424085 
1 1 1 5   13  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   13  18 o 41.726  1.8910  235.042   21.022    234.542   29.875    235.532   29.587    41.680  2.6903  41.772  2.6582  -0.9219360E-01 3.782050 
1 1 1 5   13  19 o 75.543  2.1542  769.167   43.585    758.781   61.632    779.558   61.646    75.030  3.0668  76.057  3.0260  -1.026703      4.308355 
1 1 1 5   13  20 o 52.701  1.9786  375.464   27.829    373.599   39.481    377.306   39.232    52.568  2.8142  52.835  2.7820  -0.2663383     3.957184 
1 1 1 5   13  21 o 75.222  2.1604  764.952   43.527    769.348   61.523    760.546   61.590    75.441  3.0447  75.004  3.0658  0.4376144      4.320745 
1 1 1 5   13  22 o 46.436  1.9488  292.356   24.127    296.916   34.132    287.801   34.109    46.803  2.7346  46.068  2.7773  0.7351227      3.897556 
1 1 1 5   13  23 o 27.339  2.1312  102.453   15.323    109.568   21.904    95.635    21.443    28.296  2.9327  26.383  3.0931  1.913198       4.262432 
1 1 1 5   13  24 o 49.898  2.0420  338.910   27.136    317.208   38.203    361.011   38.553    48.258  2.9700  51.539  2.8033  -3.281227      4.084050 
1 1 1 5   13  25 o 31.757  2.0822  138.482   17.397    156.883   24.856    120.813   24.357    33.889  2.7624  29.625  3.1162  4.263565       4.164320 
1 1 1 5   13  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   13  27 o 43.105  2.0603  255.279   23.648    256.486   33.456    254.074   33.431    43.210  2.9076  43.001  2.9199  0.2092323      4.120670 
1 1 1 5   13  28 o 9.5188  2.7120  6.4982    10.633    6.4489    15.044    6.5473    15.031    9.5121  3.8349  9.5255  3.8357  -0.1330948E-01 5.423939 
1 1 1 5   13  29 o 12.655  2.9594  22.002    11.728    25.726    16.848    18.502    16.334    13.419  4.2107  11.892  4.1597  1.526466       5.918881 
1 1 1 5   13  30 o 19.501  2.7944  56.435    14.095    69.379    19.946    43.524    19.921    21.963  3.5086  17.038  4.3501  4.924576       5.588737 
1 1 1 5   13  31 o 31.377  2.3108  139.659   19.105    130.240   26.653    149.613   27.400    30.237  3.3471  32.517  3.1870  -2.279490      4.621667 
1 1 1 5   13  32 o 32.735  2.3094  152.681   19.956    158.624   28.064    146.604   28.383    33.440  3.1712  32.031  3.3582  1.408947       4.618850 
1 1 1 5   13  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   13  34 o 17.941  2.9255  49.090    14.819    80.042    21.744    22.245    20.250    23.256  3.6076  12.625  4.6064  10.63129       5.850942 
1 1 1 5   13  35 o 26.455  2.7112  106.216   18.460    89.450    25.594    124.399   26.652    24.011  4.1284  28.900  3.5155  -4.889006      5.422382 
1 1 1 5   14  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   14  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   14  2  o 195.625 3.8650  5145.88   202.508   5201.01   286.138   5090.55   286.642   196.679 5.4316  194.570 5.5002  2.109528       7.730074 
1 1 1 5   14  3  o 191.611 3.8189  4937.21   195.991   4900.97   276.994   4973.54   277.352   190.904 5.4171  192.317 5.3842  -1.412842      7.637718 
1 1 1 5   14  4  o 190.305 3.7937  4871.76   193.315   5013.84   273.507   4729.94   273.271   193.089 5.2884  187.520 5.4407  5.568954       7.587354 
1 1 1 5   14  5  f 75.665  2.0761  768.103   42.036    809.183   59.599    727.436   59.298    77.682  2.8644  73.649  3.0060  4.033058       4.152203 
1 1 1 5   14  6  o 212.848 4.1332  6101.19   235.598   6244.35   333.600   5958.74   332.773   215.352 5.7835  210.345 5.9065  5.006912       8.266497 
1 1 1 5   14  7  o 109.415 2.5385  1607.14   74.373    1567.38   105.398   1646.58   104.961   108.063 3.6414  110.767 3.5378  -2.703445      5.076936 
1 1 1 5   14  8  o 67.548  2.0189  611.833   36.488    650.027   52.049    574.922   51.167    69.622  2.7911  65.473  2.9177  4.149567       4.037714 
1 1 1 5   14  9  o 84.658  2.2347  961.652   50.667    950.161   71.963    972.948   71.349    84.155  3.1926  85.162  3.1279  -1.006180      4.469486 
1 1 1 5   14  10 o 230.143 4.4498  7145.49   274.298   7189.77   388.222   7101.35   387.611   230.859 6.2783  229.428 6.3076  1.431580       8.899586 
1 1 1 5   14  11 o 112.621 2.5799  1703.25   77.822    1694.10   110.285   1712.32   109.829   112.318 3.6659  112.923 3.6312  -0.6052475     5.159837 
1 1 1 5   14  12 o 125.604 2.7819  2120.72   93.543    2205.99   132.657   2036.37   131.925   128.124 3.8656  123.085 4.0016  5.039314       5.563752 
1 1 1 5   14  13 o 38.130  1.8963  196.116   19.233    193.671   27.558    198.439   26.854    37.892  2.7337  38.368  2.6290  -0.4759789     3.792672 
1 1 1 5   14  14 o 86.473  2.2330  1004.68   51.714    1024.49   73.327    985.070   72.945    87.324  3.1350  85.623  3.1806  1.700546       4.465979 
1 1 1 5   14  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   14  16 o 49.004  1.9406  323.686   25.358    337.351   36.151    310.451   35.580    50.029  2.7079  47.978  2.7806  2.050800       3.881266 
1 1 1 5   14  17 o 88.606  2.2924  1058.11   54.396    1035.81   76.992    1080.34   76.861    87.667  3.2789  89.544  3.2047  -1.877289      4.584833 
1 1 1 5   14  18 f 52.179  1.9705  367.711   27.425    383.400   38.995    352.357   38.578    53.290  2.7413  51.067  2.8315  2.222942       3.941046 
1 1 1 5   14  19 o 99.298  2.4440  1334.44   65.001    1324.92   91.966    1343.95   91.886    98.939  3.4703  99.656  3.4424  -0.7161560     4.888050 
1 1 1 5   14  20 o 44.458  1.9404  267.751   22.992    265.557   32.308    270.001   32.727    44.274  2.7378  44.642  2.7503  -0.3680115     3.880710 
1 1 1 5   14  21 o 83.889  2.2840  954.419   51.294    990.232   72.639    918.799   72.444    85.478  3.1727  82.301  3.2863  3.176277       4.567912 
1 1 1 5   14  22 o 41.857  1.9747  238.087   22.005    246.398   31.315    229.981   30.928    42.589  2.7600  41.126  2.8248  1.463352       3.949312 
1 1 1 5   14  23 o 52.239  2.0381  371.294   28.400    364.278   40.266    378.239   40.062    51.736  2.9176  52.741  2.8465  -1.005146      4.076121 
1 1 1 5   14  24 o 72.140  2.2018  709.193   42.541    699.465   60.142    718.934   60.182    71.636  3.1344  72.643  3.0930  -1.006729      4.403550 
1 1 1 5   14  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   14  26 o 72.897  2.2252  729.890   43.436    747.661   61.312    711.984   61.545    73.814  3.1011  71.980  3.1922  1.834167       4.450480 
1 1 1 5   14  27 o 46.774  2.1033  302.157   26.192    315.033   37.024    289.257   37.059    47.807  2.9051  45.740  3.0423  2.067364       4.206564 
1 1 1 5   14  28 o 17.396  2.7192  44.739    12.790    66.553    18.315    23.976    17.868    21.666  3.2567  13.126  4.3553  8.539789       5.438307 
1 1 1 5   14  29 o 20.715  2.6636  62.934    14.132    50.197    19.940    75.786    20.031    18.382  4.1484  23.048  3.3423  -4.665052      5.327255 
1 1 1 5   14  30 o 34.327  2.2563  166.617   20.445    181.236   29.096    152.360   28.734    35.900  3.0550  32.754  3.3212  3.145645       4.512560 
1 1 1 5   14  31 o 17.157  2.9291  45.147    13.907    62.825    19.406    26.480    19.941    20.740  3.6252  13.573  4.6019  7.166714       5.858273 
1 1 1 5   14  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   14  33 o 13.885  3.1130  28.760    13.374    38.789    19.280    19.458    18.568    15.767  4.3988  12.004  4.4061  3.763195       6.226013 
1 1 1 5   15  0  o 159.577 3.2438  3420.43   138.633   3353.49   195.472   3488.17   196.647   158.003 4.6188  161.151 4.5558  -3.148117      6.487590 
1 1 1 5   15  1  o 164.520 3.3809  3637.04   148.985   3627.50   210.264   3646.67   211.131   164.304 4.7778  164.736 4.7849  -0.4327545     6.761850 
1 1 1 5   15  2  f 60.952  1.8958  498.065   30.949    495.060   43.566    501.127   43.974    60.766  2.6767  61.137  2.6854  -0.3710175     3.791530 
1 1 1 5   15  3  o 183.996 3.7072  4553.81   182.692   4611.14   258.208   4496.35   258.523   185.161 5.2063  182.831 5.2791  2.330322       7.414481 
1 1 1 5   15  4  o 205.002 4.0429  5658.14   221.992   5624.06   313.889   5692.24   314.000   204.381 5.7339  205.622 5.7012  -1.241196      8.085871 
1 1 1 5   15  5  o 119.864 2.6409  1928.71   84.781    1904.96   119.985   1952.39   119.811   119.125 3.7604  120.603 3.7089  -1.477577      5.281748 
1 1 1 5   15  6  o 51.804  1.9193  360.906   26.535    355.168   37.649    366.568   37.404    51.392  2.7450  52.217  2.6834  -0.8252335     3.838694 
1 1 1 5   15  7  o 46.757  1.9374  294.187   24.155    293.002   34.323    295.350   34.000    46.662  2.7585  46.852  2.7211  -0.1902924     3.874714 
1 1 1 5   15  8  o 95.306  2.3576  1219.34   60.162    1185.37   85.294    1252.97   84.871    93.981  3.3883  96.631  3.2791  -2.649246      4.715237 
1 1 1 5   15  9  o 263.635 5.0570  9402.30   357.085   9490.03   505.418   9314.87   504.573   264.873 7.1240  262.397 7.1792  2.476013       10.11397 
1 1 1 5   15  10 o 206.008 4.0683  5725.69   224.450   5612.65   317.610   5838.47   317.230   203.960 5.8138  208.055 5.6926  -4.094269      8.136673 
1 1 1 5   15  11 o 59.794  1.9770  480.044   31.644    462.921   44.906    496.932   44.598    58.732  2.8546  60.857  2.7360  -2.124374      3.954048 
1 1 1 5   15  12 o 52.503  1.9449  371.004   27.254    374.321   38.712    367.744   38.376    52.736  2.7502  52.270  2.7508  0.4666748      3.889749 
1 1 1 5   15  13 o 62.794  3.1938  554.459   51.226    668.819   69.153    415.398   76.256    70.402  3.6800  55.185  5.2211  15.21776       6.387639 
1 1 1 5   15  14 o 73.812  4.0732  737.062   80.217    0.0000    0.0000    737.062   80.217    ?       ?       73.812  4.0732  ?              ?        
1 1 1 5   15  15 o 70.443  2.1023  667.752   39.660    658.677   56.302    676.691   55.877    69.965  3.0044  70.922  2.9415  -0.9571686     4.204584 
1 1 1 5   15  16 o 61.625  2.0012  511.203   33.031    518.000   46.847    504.483   46.579    62.034  2.8194  61.217  2.8408  0.8171043      4.002386 
1 1 1 5   15  17 o 61.575  2.0110  510.953   33.162    522.277   47.102    499.824   46.697    62.254  2.8248  60.896  2.8629  1.358044       4.021906 
1 1 1 5   15  18 o 33.338  1.9444  150.819   17.196    158.338   24.585    143.618   24.060    34.163  2.7090  32.512  2.7899  1.650364       3.888751 
1 1 1 5   15  19 f 43.223  1.9464  253.183   22.404    264.556   31.947    242.177   31.428    44.189  2.7123  42.256  2.7925  1.932518       3.892843 
1 1 1 5   15  20 o 67.013  2.1134  607.967   37.934    609.345   53.671    606.591   53.622    67.090  2.9867  66.937  2.9908  0.1527405      4.226786 
1 1 1 5   15  21 o 36.641  2.0032  182.770   19.503    188.234   27.859    177.520   27.311    37.185  2.8181  36.098  2.8478  1.086227       4.006417 
1 1 1 5   15  22 o 61.400  2.0692  511.700   34.028    516.748   48.309    506.729   47.939    61.701  2.9231  61.098  2.9293  0.6028099      4.138328 
1 1 1 5   15  23 o 29.031  3.1566  116.224   24.149    116.224   24.149    0.0000    0.0000    29.031  3.1566  ?       ?       ?              ?        
1 1 1 5   15  24 o 57.113  2.1110  446.669   32.170    436.611   45.685    456.561   45.307    56.454  3.0324  57.772  2.9376  -1.318352      4.221957 
1 1 1 5   15  25 o 67.737  2.1858  629.788   39.658    629.595   55.995    629.982   56.175    67.729  3.0867  67.745  3.0958  -0.1592255E-01 4.371686 
1 1 1 5   15  26 o 14.073  2.6307  26.044    12.092    1.0245    17.049    51.372    17.153    9.1898  3.9218  18.957  3.5075  -9.766831      5.261468 
1 1 1 5   15  27 o 38.233  2.1452  204.135   21.672    225.511   30.577    182.557   30.721    40.347  2.8476  36.118  3.2090  4.229095       4.290308 
1 1 1 5   15  28 o 37.996  2.1738  202.169   21.933    203.875   31.006    200.461   31.030    38.165  3.0588  37.826  3.0896  0.3389931      4.347622 
1 1 1 5   15  29 o 19.276  2.9109  55.847    14.697    72.843    20.949    39.376    20.623    22.425  3.6104  16.127  4.5671  6.297745       5.821813 
1 1 1 5   15  30 o 15.422  3.0828  35.933    13.294    36.206    18.408    35.637    19.218    15.489  4.2899  15.354  4.4285  0.1346855      6.165649 
1 1 1 5   15  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   15  32 o 15.683  3.0356  37.395    13.591    52.087    19.914    24.582    18.596    18.421  4.1372  12.945  4.4434  5.475487       6.071237 
1 1 1 5   16  0  o 118.017 2.6220  1869.49   82.878    1882.94   116.764   1855.84   117.656   118.447 3.6804  117.588 3.7356  0.8594208      5.244065 
1 1 1 5   16  1  o 94.609  2.2839  1200.66   57.873    1185.35   81.465    1216.26   82.230    94.000  3.2356  95.218  3.2242  -1.217987      4.567786 
1 1 1 5   16  2  o 235.945 4.6007  7507.61   290.752   7476.54   410.812   7538.79   411.559   235.454 6.5140  236.436 6.4988  -0.9819641     9.201429 
1 1 1 5   16  3  o 214.293 4.2470  6188.82   243.672   6385.40   344.561   5992.14   344.648   217.719 5.9086  210.867 6.1021  6.851654       8.493913 
1 1 1 5   16  4  o 98.345  2.4064  1297.87   63.382    1275.66   89.498    1320.21   89.773    97.500  3.4271  99.191  3.3790  -1.690681      4.812726 
1 1 1 5   16  5  o 102.208 2.4663  1402.35   67.497    1361.11   95.483    1443.53   95.426    100.703 3.5400  103.714 3.4351  -3.010803      4.932679 
1 1 1 5   16  6  o 50.622  1.9304  344.684   26.075    339.063   36.873    350.307   36.879    50.206  2.7524  51.038  2.7074  -0.8317070     3.860795 
1 1 1 5   16  7  o 227.915 4.4215  7010.53   269.897   7117.39   382.152   6904.18   381.233   229.659 6.2125  226.170 6.2931  3.488342       8.842965 
1 1 1 5   16  8  o 135.448 2.9445  2466.21   106.823   2486.64   151.441   2445.98   150.702   136.007 4.1571  134.889 4.1711  1.118378       5.888968 
1 1 1 5   16  9  o 114.149 2.6617  1751.15   81.380    1754.05   115.408   1748.27   114.772   114.243 3.7715  114.056 3.7569  0.1869965      5.323414 
1 1 1 5   16  10 o 192.840 3.9207  5025.32   202.449   5182.33   286.832   4869.46   285.782   195.865 5.4674  189.814 5.6210  6.050842       7.841466 
1 1 1 5   16  11 o 42.806  1.9448  246.943   22.164    260.109   31.672    234.307   31.027    43.933  2.7046  41.679  2.7955  2.254147       3.889691 
1 1 1 5   16  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   16  13 o 86.223  2.2771  1000.60   52.587    1008.56   74.698    992.785   74.045    86.563  3.2217  85.883  3.2188  0.6793213      4.554153 
1 1 1 5   16  14 o 16.130  2.5225  36.303    10.613    41.024    15.468    32.104    14.588    17.135  3.4887  15.124  3.6442  2.010735       5.044946 
1 1 1 5   16  15 o 28.984  2.0220  114.905   15.383    103.039   22.114    126.031   21.413    27.481  3.0561  30.487  2.6485  -3.006971      4.044055 
1 1 1 5   16  16 o 31.163  2.0343  132.210   16.650    153.101   23.927    112.596   23.184    33.604  2.6806  28.723  3.0606  4.880901       4.068563 
1 1 1 5   16  17 f 8.4187  2.3711  4.5778    8.1516    0.8684    11.798    7.9658    11.276    7.8182  3.2962  9.0193  3.4093  -1.201091      4.742156 
1 1 1 5   16  18 o 32.873  1.9932  146.955   17.374    151.764   24.965    142.439   24.195    33.399  2.8170  32.348  2.8207  1.050251       3.986484 
1 1 1 5   16  19 o 53.483  2.0408  388.165   29.127    390.653   41.317    385.707   41.066    53.653  2.8856  53.312  2.8867  0.3418694      4.081628 
1 1 1 5   16  20 o 89.835  2.3774  1098.22   57.198    1122.91   81.111    1073.80   80.671    90.852  3.3332  88.819  3.3910  2.033051       4.754869 
1 1 1 5   16  21 o 53.896  2.0679  395.829   29.699    420.775   42.120    371.165   41.881    55.617  2.8369  52.175  3.0096  3.441673       4.135898 
1 1 1 5   16  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   16  23 o 15.598  2.7702  35.202    11.963    22.327    17.060    47.658    16.780    12.882  4.2548  18.315  3.5488  -5.432429      5.540477 
1 1 1 5   16  24 o 17.037  2.8485  42.240    12.914    51.276    18.263    33.203    18.264    18.915  3.7372  15.158  4.2998  3.757304       5.696930 
1 1 1 5   16  25 o 44.680  2.1136  275.942   25.144    283.461   35.906    268.707   35.221    45.285  2.9768  44.075  3.0013  1.210365       4.227217 
1 1 1 5   16  26 o 35.482  2.1775  175.746   20.477    168.997   28.886    182.563   29.032    34.766  3.1358  36.198  3.0221  -1.431267      4.354998 
1 1 1 5   16  27 o 18.472  2.8646  50.373    13.783    54.494    19.919    46.589    19.090    19.229  3.9979  17.714  4.1038  1.514410       5.729296 
1 1 1 5   16  28 o 37.281  2.2182  196.106   21.832    174.920   30.782    217.552   30.970    35.136  3.3098  39.425  2.9542  -4.289337      4.436481 
1 1 1 5   16  29 o 19.981  2.8287  59.497    14.596    54.499    20.940    64.220    20.357    19.042  4.2169  20.920  3.7716  -1.878853      5.657485 
1 1 1 5   16  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   16  31 o 17.904  3.0370  49.786    14.425    44.034    20.392    55.548    20.410    16.765  4.4623  19.044  4.1208  -2.279509      6.074004 
1 1 1 5   17  0  o 115.633 2.5999  1794.68   80.501    1735.02   113.278   1855.55   114.422   113.688 3.7200  117.577 3.6333  -3.888939      5.199879 
1 1 1 5   17  1  o 229.535 4.4664  7104.49   274.572   7196.17   387.852   7012.38   388.758   231.032 6.2677  228.039 6.3648  2.993088       8.932726 
1 1 1 5   17  2  o 82.352  2.1779  909.703   48.038    902.818   67.693    916.687   68.183    82.038  3.0806  82.665  3.0794  -0.6277924     4.355767 
1 1 1 5   17  3  o 95.418  2.3615  1221.70   60.350    1201.89   85.064    1241.78   85.636    94.638  3.3558  96.197  3.3236  -1.559479      4.723049 
1 1 1 5   17  4  o 107.581 2.5227  1553.70   72.692    1549.40   102.613   1558.03   102.993   107.432 3.5660  107.730 3.5693  -0.2983780     5.045410 
1 1 1 5   17  5  o 142.266 3.0282  2720.63   115.392   2719.53   163.214   2721.73   163.165   142.237 4.2840  142.295 4.2810  -0.5776978E-01 6.056419 
1 1 1 5   17  6  o 161.296 3.3254  3501.28   143.665   3520.26   203.340   3482.35   203.005   161.734 4.6939  160.858 4.7117  0.8761597      6.650765 
1 1 1 5   17  7  o 29.436  2.0341  117.701   15.738    131.824   22.346    103.797   22.170    31.230  2.6979  27.641  3.0450  3.588409       4.068247 
1 1 1 5   17  8  o 91.463  2.3145  1123.73   56.692    1150.33   80.530    1097.60   79.825    92.538  3.2490  90.388  3.2972  2.149826       4.628947 
1 1 1 5   17  9  o 121.611 2.7339  1990.51   89.044    2029.58   126.318   1951.92   125.541   122.801 3.8404  120.421 3.8922  2.380341       5.467885 
1 1 1 5   17  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   17  11 o 106.491 2.5726  1528.09   73.378    1523.24   104.112   1532.87   103.436   106.320 3.6559  106.662 3.6205  -0.3417130     5.145294 
1 1 1 5   17  12 o 92.144  2.3616  1144.04   58.262    1188.06   82.843    1100.97   81.955    93.905  3.2937  90.383  3.3853  3.522568       4.723196 
1 1 1 5   17  13 o 146.624 3.1515  2917.15   123.749   2988.58   175.503   2846.51   174.516   148.427 4.4145  144.821 4.4990  3.606583       6.303081 
1 1 1 5   17  14 f 83.163  2.2502  934.016   50.103    908.761   71.170    958.830   70.546    82.036  3.2389  84.290  3.1247  -2.253609      4.500494 
1 1 1 5   17  15 o 61.105  2.0310  503.792   33.238    507.497   47.397    500.208   46.624    61.323  2.8856  60.886  2.8589  0.4376869      4.062053 
1 1 1 5   17  16 o 18.058  2.4847  45.692    11.572    53.013    16.647    38.846    16.097    19.524  3.3009  16.592  3.7147  2.932497       4.969365 
1 1 1 5   17  17 o 18.142  2.5151  46.560    11.760    38.293    16.704    54.685    16.560    16.444  3.8587  19.840  3.2271  -3.395973      5.030264 
1 1 1 5   17  18 o 41.815  1.9904  237.577   22.158    243.802   31.589    231.547   31.089    42.359  2.8000  41.270  2.8295  1.089329       3.980710 
1 1 1 5   17  19 o 54.721  2.0410  407.149   29.805    401.928   42.320    412.288   41.984    54.364  2.9170  55.079  2.8556  -0.7154427     4.082081 
1 1 1 5   17  20 o 20.504  2.4508  58.985    12.973    57.152    18.479    60.767    18.217    20.161  3.5517  20.847  3.3780  -0.6859417     4.901626 
1 1 1 5   17  21 o 53.984  2.9707  398.359   42.789    0.0000    0.0000    398.359   42.789    ?       ?       53.984  2.9707  ?              ?        
1 1 1 5   17  22 o 11.709  2.7883  17.911    10.509    13.122    15.421    22.064    14.360    10.829  4.0084  12.589  3.8771  -1.760027      5.576695 
1 1 1 5   17  23 f 25.640  2.3662  92.731    15.715    81.542    22.504    103.380   21.954    24.006  3.6117  27.274  3.0579  -3.267509      4.732387 
1 1 1 5   17  24 o 40.231  2.1351  225.519   22.682    200.385   32.423    249.608   31.742    37.919  3.2229  42.543  2.8012  -4.624298      4.270105 
1 1 1 5   17  25 o 28.011  2.3417  110.791   17.219    106.979   24.340    114.610   24.362    27.496  3.3759  28.527  3.2462  -1.031218      4.683435 
1 1 1 5   17  26 o 10.820  2.8489  12.954    11.162    18.989    16.531    7.8971    15.132    11.952  4.1845  9.6879  3.8670  2.264231       5.697711 
1 1 1 5   17  27 o 14.135  2.9726  28.659    12.634    17.192    17.523    41.072    18.232    11.698  4.2825  16.573  4.1239  -4.874928      5.945239 
1 1 1 5   17  28 o 36.873  2.3317  194.354   22.450    160.397   31.717    228.448   31.781    33.401  3.6022  40.345  2.9616  -6.943771      4.663323 
1 1 1 5   17  29 o 19.221  3.0175  55.387    15.331    76.650    22.860    38.005    20.668    22.737  3.8937  15.704  4.6109  7.032358       6.034979 
1 1 1 5   17  30 o 18.610  3.0186  53.707    14.858    65.869    21.277    42.133    20.756    20.870  3.9510  16.350  4.5649  4.519640       6.037296 
1 1 1 5   18  0  o 52.034  1.8993  364.153   26.372    370.003   37.017    358.124   37.580    52.463  2.6428  51.605  2.7285  0.8578644      3.798536 
1 1 1 5   18  1  o 194.964 3.8664  5119.12   201.896   5050.87   284.892   5187.97   286.161   193.653 5.4925  196.274 5.4433  -2.620529      7.732797 
1 1 1 5   18  2  o 59.518  1.9560  475.166   31.179    482.721   44.093    467.610   44.095    59.992  2.7440  59.044  2.7882  0.9478798      3.911947 
1 1 1 5   18  3  f 174.791 3.5438  4113.47   165.909   4080.80   234.298   4146.33   234.965   174.092 5.0246  175.490 4.9988  -1.397064      7.087595 
1 1 1 5   18  4  o 64.930  2.0286  565.674   35.279    563.799   49.671    567.584   50.115    64.822  2.8609  65.038  2.8768  -0.2165070     4.057179 
1 1 1 5   18  5  o 38.062  1.9300  195.485   19.530    203.803   27.604    187.148   27.635    38.883  2.6666  37.240  2.7908  1.642689       3.859965 
1 1 1 5   18  6  o 74.957  2.1388  754.519   42.940    762.059   60.798    747.014   60.653    75.332  3.0132  74.583  3.0362  0.7488785      4.277573 
1 1 1 5   18  7  o 152.452 4.5347  3152.43   185.052   3013.61   256.857   3302.24   266.835   148.959 6.4378  155.946 6.3882  -6.987061      9.069414 
1 1 1 5   18  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   18  9  o 63.777  2.0493  547.075   34.986    526.400   49.534    567.658   49.423    62.569  2.9556  64.985  2.8394  -2.415722      4.098540 
1 1 1 5   18  10 o 90.144  2.3358  1094.62   56.397    1105.12   80.003    1084.25   79.513    90.574  3.2977  89.713  3.3090  0.8612137      4.671650 
1 1 1 5   18  11 o 94.665  2.3873  1208.88   60.532    1214.57   85.882    1203.26   85.331    94.886  3.3792  94.444  3.3732  0.4416122      4.774652 
1 1 1 5   18  12 o 90.276  2.3543  1100.54   56.924    1102.39   80.954    1098.73   80.060    90.347  3.3453  90.204  3.3136  0.1427612      4.708611 
1 1 1 5   18  13 o 55.124  2.0042  410.214   29.527    425.247   42.159    395.741   41.367    56.157  2.8028  54.091  2.8654  2.065643       4.008327 
1 1 1 5   18  14 o 84.430  2.2917  964.713   51.823    964.515   73.685    964.908   72.898    84.417  3.2588  84.443  3.2230  -0.2693939E-01 4.583433 
1 1 1 5   18  15 o 89.417  2.3596  1084.12   56.510    1083.46   80.270    1084.77   79.570    89.385  3.3527  89.449  3.3211  -0.6422424E-01 4.719179 
1 1 1 5   18  16 o 14.866  2.6942  31.224    10.802    28.084    15.142    34.478    15.414    14.128  3.8818  15.605  3.7372  -1.476926      5.388422 
1 1 1 5   18  17 o 56.054  2.0774  426.955   31.079    426.524   44.139    427.380   43.768    56.021  2.9520  56.086  2.9236  -0.6412888E-01 4.154708 
1 1 1 5   18  18 o 31.834  2.1129  139.058   17.765    131.845   25.451    145.911   24.808    30.993  3.1078  32.676  2.8633  -1.683676      4.225775 
1 1 1 5   18  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   18  20 o 18.977  2.6110  51.275    12.786    48.244    18.225    54.213    17.944    18.376  3.8270  19.577  3.5528  -1.201345      5.221911 
1 1 1 5   18  21 o 15.081  2.9508  32.820    12.324    31.515    17.991    33.974    16.915    14.822  4.2877  15.340  4.0551  -0.5184784     5.901562 
1 1 1 5   18  22 o 25.803  2.3479  93.609    15.798    88.137    22.687    98.759    22.011    25.001  3.4824  26.604  3.1501  -1.602680      4.695759 
1 1 1 5   18  23 o 14.411  2.9501  29.958    12.010    33.373    17.897    27.160    16.198    15.096  4.2474  13.726  4.0953  1.370572       5.900106 
1 1 1 5   18  24 o 30.912  2.2669  134.449   18.401    149.749   26.252    119.673   25.799    32.736  3.0284  29.088  3.3740  3.647972       4.533759 
1 1 1 5   18  25 o 13.883  3.0524  27.889    12.612    32.472    18.255    23.704    17.445    14.799  4.3300  12.968  4.3035  1.830369       6.104850 
1 1 1 5   18  26 o 19.612  2.8391  57.080    14.395    54.053    20.827    59.849    19.919    19.021  4.2002  20.203  3.8210  -1.182055      5.678153 
1 1 1 5   18  27 o 24.000  7.0213  99.841    48.003    99.841    48.003    0.0000    0.0000    24.000  7.0213  ?       ?       ?              ?        
1 1 1 5   18  28 o 9.0778  2.6936  -0.2453   11.711    13.294    17.217    -11.9043  15.977    10.860  4.1863  7.2959  3.3907  3.563684       5.387219 
1 1 1 5   18  29 o 25.138  2.7662  96.183    17.640    76.527    25.339    114.664   24.571    22.207  4.4156  28.070  3.3332  -5.863108      5.532404 
1 1 1 5   19  0  o 163.387 3.3262  3592.54   145.554   3627.42   205.260   3557.26   206.433   164.191 4.6673  162.583 4.7404  1.607574       6.652460 
1 1 1 5   19  1  o 155.129 3.2062  3238.14   133.210   3183.28   187.773   3293.73   189.006   153.802 4.5581  156.455 4.5102  -2.653351      6.412346 
1 1 1 5   19  2  o 160.490 3.2909  3468.46   141.465   3460.25   199.585   3476.75   200.542   160.300 4.6484  160.680 4.6597  -0.3797302     6.581815 
1 1 1 5   19  3  o 178.368 3.6373  4292.92   173.755   4214.41   245.267   4372.03   246.189   176.721 5.1816  180.016 5.1059  -3.294159      7.274507 
1 1 1 5   19  4  o 104.612 2.4739  1471.31   69.317    1458.34   97.779    1484.42   98.281    104.148 3.5051  105.077 3.4920  -0.9286652     4.947733 
1 1 1 5   19  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   19  6  o 61.926  2.6864  525.117   40.388    500.386   73.424    535.846   48.362    60.703  4.5489  63.149  2.8592  -2.445572      5.372885 
1 1 1 5   19  7  o 38.850  1.9324  203.845   19.967    212.983   28.376    194.885   28.100    39.722  2.6828  37.977  2.7818  1.744831       3.864708 
1 1 1 5   19  8  o 130.357 2.9116  2296.90   101.657   2278.52   143.947   2315.18   143.584   129.830 4.1394  130.883 4.0958  -1.053116      5.823216 
1 1 1 5   19  9  o 38.711  1.9593  202.689   20.178    206.998   28.611    198.424   28.462    39.126  2.7476  38.296  2.7941  0.8295517      3.918670 
1 1 1 5   19  10 o 58.506  2.0541  462.072   32.117    448.292   45.578    475.662   45.263    57.594  2.9646  59.418  2.8441  -1.824341      4.108196 
1 1 1 5   19  11 o 62.346  2.0669  524.513   34.507    511.584   48.910    537.327   48.690    61.575  2.9656  63.118  2.8800  -1.543610      4.133896 
1 1 1 5   19  12 o 21.592  2.3421  65.097    12.950    53.827    18.413    76.129    18.217    19.620  3.6377  23.563  2.9511  -3.943764      4.684224 
1 1 1 5   19  13 o 17.904  2.5463  45.075    11.785    51.354    16.831    39.035    16.508    19.187  3.3995  16.621  3.7919  2.566368       5.092601 
1 1 1 5   19  14 o 57.807  2.0630  453.153   31.838    453.939   45.245    452.383   44.809    57.853  2.9294  57.760  2.9056  0.9345627E-01  4.125985 
1 1 1 5   19  15 o 88.928  2.3803  1074.89   56.695    1080.98   80.565    1068.91   79.799    89.175  3.3730  88.681  3.3595  0.4942703      4.760580 
1 1 1 5   19  16 o 34.514  2.0988  162.926   19.191    157.065   27.421    168.553   26.868    33.880  3.0545  35.147  2.8792  -1.267090      4.197618 
1 1 1 5   19  17 f 15.962  3.3859  35.658    14.654    36.414    17.216    33.670    27.917    15.966  4.0264  15.957  5.4448  0.9004593E-02  6.771836 
1 1 1 5   19  18 o 24.056  2.4286  80.540    15.162    88.896    22.037    73.029    20.893    25.286  3.3352  22.826  3.5312  2.459028       4.857265 
1 1 1 5   19  19 o 35.696  2.1025  175.135   19.911    182.277   28.456    168.284   27.869    36.423  2.9419  34.969  3.0046  1.454063       4.205053 
1 1 1 5   19  20 o 27.048  2.3916  102.293   16.852    115.413   24.263    90.064    23.425    28.806  3.1987  25.291  3.5562  3.515072       4.783116 
1 1 1 5   19  21 f 27.843  2.3258  108.442   16.993    112.239   24.709    105.035   23.408    28.298  3.3233  27.388  3.2546  0.9099731      4.651549 
1 1 1 5   19  22 o 28.452  2.3420  114.617   17.344    100.034   24.732    128.730   24.330    26.529  3.5712  30.374  3.0310  -3.844900      4.684092 
1 1 1 5   19  23 o 21.658  2.7201  69.263    14.986    52.073    21.359    85.928    21.031    18.692  4.3482  24.625  3.2694  -5.933077      5.440173 
1 1 1 5   19  24 o 18.477  2.9123  50.990    14.033    46.705    20.569    54.722    19.195    17.635  4.3755  19.319  3.8446  -1.683762      5.824574 
1 1 1 5   19  25 o 9.4575  2.7486  5.3361    11.202    2.3142    15.324    8.8043    16.417    8.8402  3.7434  10.075  4.0257  -1.234656      5.497172 
1 1 1 5   19  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   19  27 o 8.6282  2.6400  -1.4815   11.514    6.9533    16.546    -9.4004   16.032    9.7099  3.9817  7.5465  3.4675  2.163426       5.279933 
1 1 1 5   19  28 f 10.609  3.0079  11.342    13.027    9.6844    18.770    12.882    18.095    10.422  4.2534  10.797  4.2541  -0.3750019     6.015748 
1 1 1 5   20  0  o 165.196 3.3610  3678.90   148.663   3550.63   209.420   3809.19   211.074   162.279 4.8180  168.113 4.6875  -5.834961      6.722054 
1 1 1 5   20  1  o 111.395 2.5613  1668.89   76.416    1678.93   107.638   1658.69   108.505   111.736 3.5965  111.054 3.6478  0.6819305      5.122628 
1 1 1 5   20  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   20  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   20  4  o 79.304  2.1883  845.870   46.479    853.488   65.586    838.184   65.877    79.665  3.0736  78.943  3.1155  0.7219772      4.376509 
1 1 1 5   20  5  o 55.015  1.9554  407.420   28.756    395.746   40.522    419.263   40.815    54.182  2.8018  55.848  2.7285  -1.665966      3.910835 
1 1 1 5   20  6  o 74.622  2.1490  749.675   42.953    745.109   60.672    754.263   60.817    74.393  3.0448  74.850  3.0335  -0.4570389     4.298043 
1 1 1 5   20  7  o 10.603  2.5704  13.751    8.8560    16.372    12.540    11.142    12.509    11.205  3.6453  10.001  3.6247  1.203819       5.140702 
1 1 1 5   20  8  o 69.043  2.1147  642.800   39.100    631.051   55.370    654.487   55.223    68.409  3.0219  69.677  2.9590  -1.268517      4.229307 
1 1 1 5   20  9  o 47.549  1.9785  305.879   25.055    325.779   35.699    286.561   35.173    49.090  2.7257  46.008  2.8685  3.082809       3.957007 
1 1 1 5   20  10 f 121.374 2.8235  2003.20   91.787    2029.39   130.110   1977.26   129.506   122.171 3.9760  120.577 4.0099  1.594711       5.646984 
1 1 1 5   20  11 o 32.200  2.0533  141.208   17.516    141.359   24.995    141.063   24.555    32.213  2.9289  32.188  2.8785  0.2476501E-01  4.106596 
1 1 1 5   20  12 o 53.070  2.0597  382.025   29.165    381.835   41.469    382.211   41.026    53.053  2.9296  53.087  2.8961  -0.3387833E-01 4.119498 
1 1 1 5   20  13 o 24.030  2.2848  79.821    14.278    87.397    20.281    72.377    20.104    25.216  3.0658  22.843  3.3885  2.372437       4.569629 
1 1 1 5   20  14 o 43.157  2.0413  253.473   23.460    254.870   33.354    252.105   33.004    43.273  2.8943  43.040  2.8795  0.2328796      4.082694 
1 1 1 5   20  15 o 18.703  2.5736  49.384    12.426    50.147    17.791    48.657    17.364    18.844  3.6568  18.563  3.6223  0.2812538      5.147152 
1 1 1 5   20  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   20  17 o 45.257  2.1016  280.595   25.283    303.456   36.104    258.598   35.416    47.105  2.8753  43.408  3.0657  3.696850       4.203128 
1 1 1 5   20  18 o 19.432  2.7193  54.526    13.623    45.228    19.478    63.430    19.061    17.666  4.1815  21.198  3.4776  -3.532352      5.438626 
1 1 1 5   20  19 o 28.098  2.3703  110.599   17.460    107.399   25.073    113.612   24.329    27.659  3.4601  28.537  3.2404  -0.8774128     4.740504 
1 1 1 5   20  20 o 52.937  2.1650  388.173   30.511    416.841   43.421    360.213   42.883    54.929  2.9622  50.944  3.1582  3.984982       4.330031 
1 1 1 5   20  21 o 18.434  2.8374  49.924    13.617    46.671    19.361    53.108    19.154    17.784  4.1418  19.084  3.8793  -1.300619      5.674807 
1 1 1 5   20  22 o 31.704  2.3696  142.959   19.486    116.450   27.413    170.033   27.703    28.520  3.6738  34.887  2.9937  -6.366896      4.739104 
1 1 1 5   20  23 o 10.967  2.9284  13.669    11.751    12.622    16.218    14.826    17.050    10.705  4.0786  11.229  4.2033  -0.5241299     5.856828 
1 1 1 5   20  24 o 21.230  2.8907  67.510    15.777    97.893    22.951    40.290    21.724    26.182  3.3495  16.278  4.7124  9.904638       5.781469 
1 1 1 5   20  25 o 20.837  3.0588  65.882    16.507    59.808    23.642    71.659    23.059    19.749  4.5614  21.924  4.0766  -2.175200      6.117607 
1 1 1 5   20  26 o 16.193  3.1895  40.532    14.564    31.634    20.224    50.116    20.991    14.396  4.6245  17.991  4.3939  -3.595321      6.379030 
1 1 1 5   21  0  o 110.018 3.2713  1679.03   89.110    1520.58   155.020   1757.22   108.899   105.779 5.4903  114.257 3.5584  -8.477661      6.542585 
1 1 1 5   21  1  o 62.396  1.9970  523.159   33.372    516.175   46.832    530.364   47.568    61.974  2.8213  62.819  2.8270  -0.8455353     3.993967 
1 1 1 5   21  2  o 60.509  2.0020  492.362   32.441    499.887   45.666    484.697   46.093    60.978  2.7960  60.039  2.8662  0.9394646      4.004086 
1 1 1 5   21  3  o 30.754  1.9646  128.268   16.001    124.372   22.659    132.144   22.600    30.278  2.8267  31.230  2.7291  -0.9526272     3.929122 
1 1 1 5   21  4  o 48.336  1.9476  315.591   25.075    334.836   35.524    296.482   35.400    49.821  2.6718  46.850  2.8343  2.971046       3.895134 
1 1 1 5   21  5  o 32.511  1.9696  143.347   16.986    143.445   24.051    143.250   23.992    32.522  2.7880  32.500  2.7830  0.2156830E-01  3.939259 
1 1 1 5   21  6  o 59.032  2.0025  469.694   31.659    476.768   44.698    462.572   44.848    59.481  2.8056  58.582  2.8582  0.8990402      4.005036 
1 1 1 5   21  7  o 44.333  1.9467  265.975   23.002    267.406   32.611    264.558   32.450    44.452  2.7525  44.214  2.7538  0.2382698      3.893480 
1 1 1 5   21  8  o 51.947  2.0132  365.816   27.845    392.023   39.357    339.551   39.400    53.838  2.7383  50.055  2.9518  3.783463       4.026334 
1 1 1 5   21  9  o 40.467  1.9717  222.166   21.241    221.150   30.112    223.172   29.967    40.372  2.8020  40.562  2.7749  -0.1899376     3.943472 
1 1 1 5   21  10 o 38.857  2.0049  205.144   20.722    205.167   29.198    205.121   29.413    38.861  2.8244  38.853  2.8462  0.8518219E-02  4.009703 
1 1 1 5   21  11 o 12.150  2.7169  18.969    10.178    27.160    14.960    11.912    13.887    13.905  3.8731  10.394  3.8112  3.510485       5.433849 
1 1 1 5   21  12 o 54.731  2.0975  407.222   30.633    410.216   43.539    404.286   43.107    54.929  2.9703  54.532  2.9624  0.3975716      4.195077 
1 1 1 5   21  13 o 72.022  2.2042  705.369   42.516    697.592   60.419    712.996   59.837    71.618  3.1497  72.427  3.0845  -0.8091354     4.408459 
1 1 1 5   21  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   21  15 o 50.061  2.1297  343.017   28.298    385.110   40.597    303.238   39.465    53.110  2.8644  47.012  3.1523  6.097534       4.259335 
1 1 1 5   21  16 o 11.840  2.8610  17.728    11.000    22.745    16.044    13.278    15.111    12.872  4.1172  10.807  3.9738  2.064494       5.722090 
1 1 1 5   21  17 o 14.231  2.8956  29.143    11.688    25.608    17.038    32.285    16.064    13.514  4.2332  14.949  3.9518  -1.435336      5.791142 
1 1 1 5   21  18 o 44.108  2.1582  269.127   25.338    273.462   36.096    264.917   35.576    44.461  3.0495  43.755  3.0548  0.7055740      4.316391 
1 1 1 5   21  19 o 20.201  2.7277  59.127    14.213    59.387    20.479    58.884    19.742    20.221  3.9227  20.181  3.7914  0.4025459E-01  5.455485 
1 1 1 5   21  20 o 12.580  2.9606  20.632    12.486    8.1687    17.942    32.336    17.388    10.340  4.1813  14.819  4.1926  -4.478226      5.921238 
1 1 1 5   21  21 o 41.313  2.2631  239.509   24.787    260.255   35.436    219.632   34.685    43.139  3.0872  39.487  3.3099  3.651638       4.526184 
1 1 1 5   21  22 o 33.309  2.4123  157.648   21.192    151.105   30.125    164.059   29.817    32.565  3.5092  34.054  3.3108  -1.489273      4.824511 
1 1 1 5   21  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   21  24 o 14.622  3.2283  32.279    14.368    23.576    20.807    40.212    19.864    13.057  4.6824  16.187  4.4456  -3.130362      6.456616 
1 1 1 5   21  25 o 18.037  3.1907  51.101    15.374    53.015    21.113    48.941    22.431    18.488  4.3382  17.585  4.6799  0.9033298      6.381311 
1 1 1 5   22  0  o 82.711  2.1921  921.873   48.527    954.769   68.231    888.201   69.031    84.216  3.0248  81.206  3.1737  3.010040       4.384243 
1 1 1 5   22  1  o 64.130  2.0171  553.763   34.637    564.767   48.726    542.522   49.248    64.780  2.8082  63.481  2.8964  1.298512       4.034216 
1 1 1 5   22  2  o 92.154  2.3412  1145.99   57.785    1148.62   81.339    1143.31   82.108    92.265  3.2913  92.044  3.3305  0.2216644      4.682387 
1 1 1 5   22  3  o 14.547  2.5865  29.732    10.119    34.123    14.355    25.395    14.266    15.584  3.5219  13.509  3.7890  2.074779       5.173041 
1 1 1 5   22  4  o 21.417  2.2348  63.262    12.431    64.314    17.476    62.184    17.686    21.610  3.1087  21.223  3.2115  0.3868790      4.469625 
1 1 1 5   22  5  o 85.705  2.2736  993.138   52.188    975.895   73.559    1010.61   74.054    84.952  3.2328  86.459  3.1978  -1.506851      4.547142 
1 1 1 5   22  6  o 60.334  2.0249  491.631   32.715    504.230   46.297    479.065   46.235    61.113  2.8283  59.556  2.8984  1.556587       4.049703 
1 1 1 5   22  7  o 55.096  2.0352  411.430   29.881    447.793   42.365    375.432   42.152    57.587  2.7466  52.604  3.0041  4.983025       4.070413 
1 1 1 5   22  8  o 92.679  2.4242  1166.25   60.177    1179.07   85.136    1153.44   85.070    93.195  3.4106  92.163  3.4461  1.031364       4.848478 
1 1 1 5   22  9  o 57.495  2.0563  448.059   31.611    441.664   44.641    454.490   44.768    57.042  2.9317  57.948  2.8843  -0.9059105     4.112687 
1 1 1 5   22  10 o 29.515  2.1333  119.362   16.621    122.592   23.495    116.126   23.517    29.929  2.9701  29.102  3.0630  0.8276215      4.266572 
1 1 1 5   22  11 o 56.545  2.1003  435.336   31.686    421.845   44.829    448.805   44.793    55.652  3.0187  57.438  2.9212  -1.785889      4.200661 
1 1 1 5   22  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   22  13 o 67.540  2.1809  622.601   39.442    610.390   56.026    634.601   55.537    66.865  3.1282  68.215  3.0396  -1.349495      4.361753 
1 1 1 5   22  14 o 44.703  2.1427  274.674   25.461    258.545   36.133    290.580   35.882    43.355  3.1326  46.051  2.9242  -2.695728      4.285373 
1 1 1 5   22  15 o 22.032  2.6160  68.742    14.873    72.954    21.673    64.992    20.448    22.684  3.6941  21.380  3.7049  1.304010       5.231925 
1 1 1 5   22  16 o 22.082  2.5848  69.416    14.719    76.474    21.079    62.700    20.562    23.255  3.4919  20.908  3.8120  2.346706       5.169591 
1 1 1 5   22  17 o 53.739  2.2120  400.885   31.674    387.378   45.125    414.001   44.469    52.797  3.2061  54.681  3.0483  -1.883972      4.423990 
1 1 1 5   22  18 o 6.2895  2.1029  -15.3362  9.4221    -20.3983  13.222    -10.1138  13.430    5.7935  2.8005  6.7856  3.1378  -0.9921508     4.205796 
1 1 1 5   22  19 o 15.187  3.0617  34.408    13.265    27.104    19.517    40.679    18.084    13.803  4.5505  16.570  4.0975  -2.767625      6.123445 
1 1 1 5   22  20 o 29.037  2.4954  120.049   18.815    140.986   27.312    101.136   25.958    31.591  3.2754  26.483  3.7656  5.108265       4.990725 
1 1 1 5   22  21 o 13.984  3.2474  28.254    14.094    31.210    20.070    25.378    19.796    14.541  4.6000  13.426  4.5850  1.114368       6.494764 
1 1 1 5   22  22 o 16.599  3.3039  42.300    15.309    41.698    21.824    42.883    21.480    16.479  4.7092  16.719  4.6354  -0.2400150     6.607799 
1 1 1 5   22  23 o 30.244  2.6134  134.069   20.629    123.848   29.551    143.785   28.812    28.958  3.9099  31.530  3.4689  -2.572149      5.226870 
1 1 1 5   23  0  o 69.092  2.0411  643.412   37.770    631.328   53.042    655.843   53.796    68.433  2.8937  69.752  2.8794  -1.318291      4.082262 
1 1 1 5   23  1  o 20.572  2.2209  58.538    11.826    61.283    16.509    55.645    16.949    21.103  3.0055  20.040  3.2705  1.063427       4.441753 
1 1 1 5   23  2  o 38.416  1.9140  200.136   19.533    186.560   27.576    213.805   27.671    37.086  2.7967  39.746  2.6138  -2.659687      3.827960 
1 1 1 5   23  3  o 74.309  2.1378  746.240   42.548    745.878   59.894    746.608   60.456    74.294  3.0098  74.324  3.0368  -0.3034210E-01 4.275657 
1 1 1 5   23  4  o 68.255  2.0791  629.640   38.009    620.112   53.526    639.332   53.982    67.732  2.9504  68.778  2.9303  -1.045967      4.158296 
1 1 1 5   23  5  o 98.453  2.4764  1316.20   65.303    1316.65   92.180    1315.76   92.526    98.472  3.4949  98.433  3.5094  0.3900909E-01  4.952809 
1 1 1 5   23  6  o 89.481  2.3642  1086.92   56.656    1065.58   80.007    1108.39   80.241    88.590  3.3717  90.372  3.3149  -1.782387      4.728360 
1 1 1 5   23  7  o 30.738  2.0847  129.174   16.908    118.488   23.736    140.184   24.092    29.412  3.0577  32.063  2.8345  -2.651484      4.169379 
1 1 1 5   23  8  o 44.115  1.9983  264.764   23.476    273.319   33.133    256.140   33.266    44.847  2.7719  43.384  2.8791  1.462582       3.996587 
1 1 1 5   23  9  o 44.111  2.0775  265.273   24.404    268.143   34.472    262.389   34.554    44.356  2.9178  43.865  2.9582  0.4910812      4.155049 
1 1 1 5   23  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   23  11 f 24.422  2.3398  82.983    14.911    83.198    21.187    82.771    20.989    24.451  3.3211  24.393  3.2968  0.5731964E-01  4.679602 
1 1 1 5   23  12 o 32.946  2.1701  149.595   18.924    153.921   26.910    145.362   26.619    33.430  3.0385  32.461  3.0991  0.9684258      4.340153 
1 1 1 5   23  13 f 19.416  2.7581  54.199    13.841    58.357    19.491    49.969    19.658    20.232  3.7344  18.600  4.0598  1.631180       5.516167 
1 1 1 5   23  14 f 42.976  2.1683  255.096   24.789    257.709   35.529    252.617   34.604    43.180  3.0924  42.771  3.0403  0.4085159      4.336666 
1 1 1 5   23  15 o 25.338  2.5582  93.452    16.175    65.603    23.042    120.507   22.711    21.213  4.2040  29.463  2.9162  -8.249332      5.116425 
1 1 1 5   23  16 o 20.955  2.8095  67.160    15.034    34.492    21.458    98.659    21.070    15.350  4.7413  26.559  3.0154  -11.20815      5.618949 
1 1 1 5   23  17 o 43.436  2.2598  264.473   26.012    241.388   36.865    287.364   36.709    41.445  3.3495  45.427  3.0344  -3.982071      4.519607 
1 1 1 5   23  18 o 31.396  2.4379  140.104   19.929    117.453   27.802    164.042   28.580    28.616  3.7150  34.176  3.1579  -5.560587      4.875769 
1 1 1 5   23  19 o 11.798  3.0000  16.762    12.577    25.825    17.719    7.5608    17.854    13.405  4.3309  10.191  4.1525  3.214741       6.000029 
1 1 1 5   23  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   23  21 o 16.656  3.1088  42.291    14.397    54.437    20.626    30.752    20.104    18.982  4.1706  14.330  4.6115  4.652409       6.217684 
1 1 1 5   23  22 o 18.336  3.0985  53.642    15.597    33.103    22.685    72.054    21.479    14.678  4.9087  21.993  3.7826  -7.314918      6.197007 
1 1 1 5   24  0  f 52.386  1.9462  371.366   27.208    371.113   38.124    371.629   38.842    52.372  2.7272  52.399  2.7774  -0.2667999E-01 3.892501 
1 1 1 5   24  1  o 44.370  1.9355  267.024   22.856    282.525   32.293    251.465   32.354    45.682  2.6507  43.057  2.8210  2.624588       3.870914 
1 1 1 5   24  2  o 50.566  1.9606  346.604   26.439    354.636   37.111    338.327   37.675    51.174  2.7172  49.957  2.8271  1.216637       3.921232 
1 1 1 5   24  3  o 32.914  2.0078  147.492   17.523    144.909   24.466    150.214   25.110    32.619  2.8283  33.210  2.8505  -0.5916977     4.015540 
1 1 1 5   24  4  o 84.041  2.2911  958.981   51.552    985.811   72.661    931.786   73.153    85.245  3.1823  82.837  3.2970  2.407654       4.582294 
1 1 1 5   24  5  o 66.731  2.1255  603.833   37.988    608.971   53.538    598.624   53.910    67.023  2.9823  66.438  3.0295  0.5846405      4.251085 
1 1 1 5   24  6  o 31.817  2.0987  138.580   17.666    134.887   25.184    142.158   24.787    31.381  3.0341  32.253  2.9003  -0.8720303     4.197327 
1 1 1 5   24  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   24  8  o 16.924  4.0123  41.000    17.912    0.0000    0.0000    41.000    17.912    ?       ?       16.924  4.0123  ?              ?        
1 1 1 5   24  9  o 39.021  2.0955  208.855   21.690    224.728   30.769    193.176   30.580    40.537  2.8520  37.506  3.0710  3.031216       4.191053 
1 1 1 5   24  10 o 26.817  2.3439  100.291   16.381    89.205    23.083    111.538   23.251    25.240  3.5094  28.393  3.1080  -3.153566      4.687844 
1 1 1 5   24  11 f 32.387  2.2574  145.441   19.303    153.309   27.342    137.622   27.255    33.298  3.1013  31.475  3.2812  1.823565       4.514880 
1 1 1 5   24  12 o 57.541  2.1745  456.903   33.350    433.023   47.271    480.569   47.059    55.991  3.1650  59.092  2.9829  -3.101486      4.349090 
1 1 1 5   24  13 o 32.760  2.2871  149.832   19.779    140.778   27.812    159.097   28.134    31.713  3.3235  33.806  3.1430  -2.093159      4.574275 
1 1 1 5   24  14 o 48.087  2.1968  321.435   28.138    316.111   39.879    326.713   39.707    47.669  3.1409  48.504  3.0722  -0.8346901     4.393633 
1 1 1 5   24  15 o 9.0324  2.6877  2.7622    11.060    3.0654    15.555    2.4521    15.728    9.0550  3.7994  9.0097  3.8025  0.4530811E-01  5.375364 
1 1 1 5   24  16 o 26.922  2.5449  103.880   17.780    115.359   25.169    92.445    25.121    28.539  3.3568  25.304  3.8258  3.234823       5.089712 
1 1 1 5   24  17 f 23.865  2.9021  85.378    17.264    125.800   25.007    48.565    23.864    29.874  3.1738  17.857  4.8596  12.01754       5.804202 
1 1 1 5   24  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   24  19 o 28.289  2.6477  116.373   19.555    112.315   27.682    120.415   27.629    27.742  3.8273  28.836  3.6595  -1.094191      5.295315 
1 1 1 5   24  20 o 21.116  3.0694  68.054    16.755    68.671    24.463    67.508    22.995    21.139  4.4608  21.094  4.2174  0.4533768E-01  6.138813 
1 1 1 5   25  0  o 87.233  2.2812  1032.06   53.296    1017.98   74.815    1046.57   75.940    86.630  3.2243  87.837  3.2278  -1.207169      4.562318 
1 1 1 5   25  1  o 47.159  1.9825  302.363   24.886    317.873   34.922    286.358   35.474    48.416  2.7037  45.902  2.9002  2.514091       3.965031 
1 1 1 5   25  2  o 31.791  2.0505  139.062   17.089    157.692   23.923    119.653   24.418    34.051  2.6437  29.531  3.1350  4.519159       4.100923 
1 1 1 5   25  3  o 38.617  2.0178  203.144   20.719    197.490   29.116    208.945   29.490    38.064  2.8771  39.169  2.8299  -1.105190      4.035559 
1 1 1 5   25  4  o 80.850  2.8891  881.628   57.734    852.164   69.097    949.774   105.082   79.099  3.2614  82.601  4.7699  -3.502495      5.778254 
1 1 1 5   25  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   25  6  o 54.982  2.0867  412.969   30.574    387.163   43.113    439.079   43.365    53.218  3.0371  56.747  2.8623  -3.529388      4.173332 
1 1 1 5   25  7  o 31.622  2.1692  138.120   18.078    127.227   25.734    148.732   25.401    30.334  3.2164  32.911  2.9115  -2.576538      4.338459 
1 1 1 5   25  8  o 15.282  2.9290  33.495    12.442    40.665    17.710    26.507    17.484    16.794  3.9952  13.770  4.2843  3.023939       5.858038 
1 1 1 5   25  9  o 31.543  2.2576  138.941   18.534    163.828   26.296    114.375   26.126    34.498  2.8719  28.587  3.4841  5.910118       4.515196 
1 1 1 5   25  10 o 34.861  2.2002  168.619   20.290    179.955   28.773    157.406   28.617    36.075  3.0051  33.647  3.2144  2.428730       4.400351 
1 1 1 5   25  11 o 41.509  2.1734  238.781   23.980    229.094   33.527    248.928   34.314    40.629  3.1043  42.388  3.0425  -1.759869      4.346700 
1 1 1 5   25  12 o 13.679  3.0079  26.305    12.397    33.810    17.921    19.418    17.167    15.177  4.2433  12.181  4.2642  2.995787       6.015776 
1 1 1 5   25  13 o 42.551  2.2151  252.982   25.005    233.918   35.353    272.067   35.373    40.868  3.2567  44.234  3.0034  -3.365025      4.430119 
1 1 1 5   25  14 o 50.628  2.2370  358.299   30.164    372.504   42.688    344.135   42.627    51.676  3.0984  49.579  3.2276  2.097427       4.474040 
1 1 1 5   25  15 o 22.113  2.8859  71.906    16.424    62.597    23.055    81.499    23.404    20.508  4.3329  23.718  3.8131  -3.210506      5.771811 
1 1 1 5   25  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   25  17 o 30.091  2.4885  130.469   19.463    150.053   27.666    111.280   27.386    32.520  3.2184  27.661  3.7964  4.859432       4.977031 
1 1 1 5   25  18 o 8.2815  2.4681  -5.4586   10.908    12.700    14.812    -26.9752  16.124    10.386  3.9118  6.1771  3.0106  4.208780       4.936236 
1 1 1 5   26  0  o 13.825  2.7478  26.644    10.971    35.948    15.477    17.246    15.555    15.909  3.7018  11.741  4.0619  4.167921       5.495655 
1 1 1 5   26  1  o 49.768  3.7733  341.198   49.925    341.198   49.925    0.0000    0.0000    49.768  3.7733  ?       ?       ?              ?        
1 1 1 5   26  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   26  3  o 33.573  2.0965  154.581   18.657    153.621   26.146    155.576   26.629    33.471  2.9464  33.675  2.9832  -0.2040253     4.192938 
1 1 1 5   26  4  o 57.586  2.0832  452.764   32.038    428.627   45.118    477.311   45.500    55.973  3.0206  59.200  2.8695  -3.227077      4.166323 
1 1 1 5   26  5  o 19.710  2.6263  55.567    13.303    66.088    18.876    45.183    18.752    21.707  3.3547  17.713  4.0418  3.994415       5.252661 
1 1 1 5   26  6  o 40.948  2.0992  230.535   22.833    215.103   32.016    246.509   32.573    39.518  3.0483  42.378  2.8869  -2.860142      4.198352 
1 1 1 5   26  7  o 29.846  2.2750  123.925   17.898    121.998   25.257    125.869   25.366    29.604  3.2380  30.089  3.1964  -0.4849682     4.549918 
1 1 1 5   26  8  f 8.3591  2.4669  -2.7982   10.165    11.252    14.441    -16.5942  14.310    10.243  3.8615  6.4757  3.0711  3.766808       4.933842 
1 1 1 5   26  9  o 20.719  2.7702  62.720    14.729    49.395    20.896    75.878    20.765    18.310  4.3289  23.129  3.4579  -4.819653      5.540463 
1 1 1 5   26  10 o 27.908  2.3632  109.919   17.286    114.198   24.204    105.464   24.696    28.517  3.2255  27.300  3.4546  1.216536       4.726348 
1 1 1 5   26  11 o 38.804  2.2820  211.492   23.393    231.139   32.919    191.447   33.250    40.736  3.0389  36.871  3.4053  3.864475       4.564074 
1 1 1 5   26  12 f 24.413  2.5711  85.698    16.239    93.238    22.932    78.113    22.999    25.598  3.4311  23.228  3.8301  2.369118       5.142173 
1 1 1 5   26  13 o 14.241  3.0437  28.724    13.354    42.563    19.014    15.254    18.759    16.902  4.2145  11.580  4.3925  5.322243       6.087380 
1 1 1 5   26  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   26  15 o 34.912  2.4170  173.673   22.305    168.773   31.123    178.846   31.981    34.398  3.4234  35.425  3.4128  -1.026360      4.833940 
1 1 1 5   26  16 o 14.840  3.0877  33.172    13.786    45.690    19.177    19.782    19.834    17.355  4.1760  12.326  4.5492  5.029156       6.175316 
1 1 1 5   26  17 o 19.421  3.1209  58.366    15.933    48.838    22.152    68.576    22.932    17.622  4.6322  21.220  4.1835  -3.597324      6.241704 
1 1 1 5   27  0  o 14.749  2.8988  31.065    11.927    34.737    16.588    27.134    17.161    15.572  3.9661  13.926  4.2289  1.646671       5.797697 
1 1 1 5   27  1  o 49.594  2.0099  336.105   26.579    339.798   37.295    332.293   37.889    49.885  2.8025  49.303  2.8817  0.5827408      4.019731 
1 1 1 5   27  2  o 29.962  2.1583  123.991   17.070    126.459   23.970    121.451   24.316    30.284  2.9942  29.640  3.1092  0.6443481      4.316568 
1 1 1 5   27  3  o 60.567  2.0966  501.758   34.009    492.584   47.735    511.215   48.466    60.003  2.9701  61.131  2.9600  -1.128628      4.193223 
1 1 1 5   27  4  o 18.762  2.7332  51.321    13.306    37.260    18.871    65.225    18.765    16.011  4.3064  21.513  3.3669  -5.501968      5.466351 
1 1 1 5   27  5  o 13.790  2.9081  26.673    11.769    34.572    17.053    19.489    16.263    15.423  4.0690  12.156  4.1558  3.267378       5.816133 
1 1 1 5   27  6  o 52.582  2.1203  382.040   29.726    392.691   41.939    371.286   42.140    53.348  2.9465  51.815  3.0498  1.532860       4.240633 
1 1 1 5   27  7  o 20.194  2.6743  58.734    13.917    52.867    19.235    65.180    20.162    19.072  3.8970  21.316  3.6633  -2.243992      5.348515 
1 1 1 5   27  8  o 43.457  2.1690  262.828   25.077    266.170   35.192    259.381   35.742    43.763  3.0207  43.151  3.1134  0.6125526      4.337955 
1 1 1 5   27  9  o 47.385  2.1979  313.016   27.734    322.609   39.439    303.632   39.008    48.125  3.0757  46.644  3.1405  1.480404       4.395760 
1 1 1 5   27  10 o 21.222  2.9200  66.375    15.986    73.499    22.620    59.267    22.595    22.484  3.8971  19.959  4.3494  2.525339       5.839950 
1 1 1 5   27  11 o 31.685  2.4463  142.816   20.335    155.439   28.707    130.102   28.811    33.200  3.2706  30.169  3.6388  3.030981       4.892663 
1 1 1 5   27  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   27  13 o 39.208  2.3707  218.276   24.402    182.555   33.831    257.014   35.230    35.683  3.5883  42.732  3.0991  -7.048935      4.741355 
1 1 1 5   27  14 o 19.667  3.0814  59.014    15.791    61.395    21.720    56.345    22.997    20.197  4.1536  19.137  4.5527  1.060596       6.162789 
1 1 1 5   27  15 o 36.677  2.4814  195.524   23.816    165.211   33.325    227.170   34.050    33.526  3.7769  39.829  3.2193  -6.303150      4.962763 
1 1 1 5   28  0  o 52.427  2.0794  377.392   29.074    384.094   40.887    370.537   41.352    52.918  2.8956  51.935  2.9852  0.9835968      4.158840 
1 1 1 5   28  1  o 27.135  2.3331  103.180   16.506    91.950    23.360    114.377   23.325    25.567  3.5033  28.704  3.0821  -3.137163      4.666138 
1 1 1 5   28  2  o 10.796  2.7183  13.247    10.295    5.6986    14.420    21.096    14.704    9.2475  3.7453  12.344  3.9408  -3.096725      5.436618 
1 1 1 5   28  3  o 29.420  2.1981  120.604   17.054    119.236   23.783    122.051   24.467    29.257  3.0813  29.584  3.1355  -0.3267841     4.396163 
1 1 1 5   28  4  o 40.064  2.1267  222.819   22.527    195.016   31.465    252.054   32.265    37.409  3.1701  42.719  2.8359  -5.310242      4.253466 
1 1 1 5   28  5  o 40.429  2.1740  227.419   23.358    220.021   32.728    235.100   33.347    39.743  3.0990  41.114  3.0499  -1.370556      4.348053 
1 1 1 5   28  6  o 10.651  2.8448  12.165    11.278    16.857    15.647    7.0938    16.269    11.467  4.0660  9.8345  3.9799  1.632627       5.689628 
1 1 1 5   28  7  o 29.242  2.3764  120.944   18.263    125.710   25.968    116.279   25.691    29.843  3.3040  28.640  3.4164  1.203531       4.752748 
1 1 1 5   28  8  o 30.809  2.3602  134.105   19.150    140.925   27.456    127.643   26.724    31.600  3.2921  30.017  3.3828  1.582899       4.720357 
1 1 1 5   28  9  o 50.422  2.2444  356.131   30.081    325.005   42.077    388.668   43.020    48.081  3.2869  52.763  3.0572  -4.681431      4.488895 
1 1 1 5   28  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   28  11 o 29.967  2.5292  129.531   19.779    115.820   27.963    143.259   27.980    28.232  3.7940  31.702  3.3457  -3.470047      5.058421 
1 1 1 5   28  12 o 8.0260  2.5354  -6.4432   11.451    -15.2054  16.251    2.1972    16.138    7.0879  3.3345  8.9641  3.8203  -1.876201      5.070847 
1 1 1 5   28  13 o 22.985  2.9607  79.932    17.542    75.165    24.235    85.177    25.423    22.227  4.2252  23.742  4.1487  -1.515205      5.921477 
1 1 1 5   29  0  o 37.626  2.1527  196.480   21.417    174.818   29.870    219.400   30.726    35.418  3.1826  39.833  2.8997  -4.415104      4.305489 
1 1 1 5   29  1  o 44.726  2.1188  277.282   25.232    271.155   35.409    283.603   35.965    44.216  3.0077  45.235  2.9851  -1.019176      4.237610 
1 1 1 5   29  2  o 39.172  2.1407  213.801   22.102    182.346   30.855    246.951   31.676    36.094  3.2256  42.249  2.8152  -6.155724      4.281313 
1 1 1 5   29  3  o 10.633  2.7097  11.711    10.506    1.8677    14.458    22.724    15.293    8.6000  3.6385  12.666  4.0164  -4.065781      5.419448 
1 1 1 5   29  4  o 28.938  2.3455  118.553   17.764    106.868   25.084    130.308   25.159    27.407  3.4968  30.469  3.1271  -3.062681      4.691097 
1 1 1 5   29  5  o 10.006  2.8113  8.2784    11.347    4.3605    15.729    12.530    16.384    9.2718  3.8499  10.741  4.0977  -1.468988      5.622513 
1 1 1 5   29  6  o 7.9029  2.4120  -12.1237  10.237    -27.7866  13.195    11.564    16.227    5.2711  2.6001  10.535  4.0632  -5.263502      4.823904 
1 1 1 5   29  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   29  8  o 26.173  2.8817  104.015   18.320    152.870   26.288    57.883    25.545    32.976  3.0094  19.370  4.9154  13.60607       5.763478 
1 1 1 5   29  9  o 35.988  2.3953  184.986   22.534    153.073   31.307    219.296   32.461    32.563  3.6524  39.412  3.1000  -6.849358      4.790624 
1 1 1 5   29  10 o 51.987  2.3208  385.334   32.112    365.758   45.442    404.860   45.384    50.575  3.3739  53.399  3.1876  -2.823883      4.641567 
1 1 1 5   30  0  o 20.094  2.7108  58.727    14.039    57.735    19.292    59.843    20.468    19.941  3.7495  20.246  3.9160  -0.3042164     5.421594 
1 1 1 5   30  1  o 25.504  2.5583  92.298    16.868    79.499    22.740    107.956   25.152    23.469  3.7433  27.539  3.4881  -4.070129      5.116573 
1 1 1 5   30  2  o 28.764  2.5886  120.579   18.817    149.954   26.408    90.281    26.820    32.714  3.0489  24.814  4.1842  7.900858       5.177176 
1 1 1 5   30  3  o 32.221  2.2684  146.171   19.305    139.691   26.926    153.025   27.692    31.464  3.2414  32.978  3.1742  -1.513950      4.536802 
1 1 1 5   30  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   30  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   30  6  o 37.194  2.3415  196.777   23.038    201.736   31.932    191.393   33.270    37.764  3.1866  36.624  3.4316  1.140640       4.682983 
1 1 1 5   30  7  o 39.903  2.2942  226.731   24.273    236.718   34.073    216.440   34.587    40.877  3.1359  38.929  3.3496  1.947727       4.588450 
1 1 1 5   30  8  o 19.806  3.1027  60.651    16.134    47.706    22.743    73.765    22.891    17.425  4.7449  22.186  3.9991  -4.761169      6.205387 
1 1 1 5   31  0  o 17.625  3.0044  47.912    14.480    62.892    19.667    30.176    21.399    20.819  3.6604  14.431  4.7652  6.388274       6.008860 
1 1 1 5   31  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 5   31  2  o 15.646  4.9073  36.944    22.887    0.0000    0.0000    36.944    22.887    ?       ?       15.646  4.9073  ?              ?        
1 1 1 5   31  3  o 20.334  3.0557  62.987    16.165    74.763    22.551    50.542    23.183    22.553  3.8728  18.115  4.7277  4.437996       6.111421 
1 1 1 5   31  4  o 23.979  2.7025  84.496    16.772    82.488    23.479    86.589    23.966    23.677  3.8333  24.282  3.8104  -0.6045933     5.404945 
1 1 1 5   31  5  o 26.686  2.8797  111.331   18.543    155.791   25.890    64.496    26.572    33.171  2.9445  20.201  4.9498  12.97027       5.759390 
1 1 1 5   32  0  o 18.572  3.0613  52.235    14.886    50.979    20.020    53.787    22.262    18.391  4.1614  18.754  4.4911  -0.3631458     6.122692 
1 1 1 5   32  1  o 35.444  2.3608  179.684   22.137    175.729   30.726    183.953   31.923    35.054  3.3117  35.834  3.3654  -0.7797966     4.721611 
1 1 1 5   32  2  o 18.069  3.1873  50.306    15.377    44.418    20.902    57.253    22.703    16.904  4.5262  19.234  4.4887  -2.329752      6.374537 
1 1 1 5   32  3  o 29.269  2.6112  125.961   19.989    118.779   27.555    133.939   29.042    28.364  3.7164  30.174  3.6689  -1.809504      5.222300 
1 1 1 6   -37 10 o 13.557  3.2228  23.540    15.113    54.987    24.528    4.2942    19.188    17.657  4.9740  9.4570  4.0993  8.199806       6.445523 
1 1 1 6   -37 11 f 20.760  3.3324  74.046    18.077    65.562    27.272    80.695    24.143    19.164  5.1866  22.357  4.1855  -3.193251      6.664772 
1 1 1 6   -37 12 o 10.408  3.0027  11.349    13.674    -0.3335   22.250    18.440    17.335    9.5179  4.2565  11.298  4.2364  -1.780025      6.005378 
1 1 1 6   -37 13 o 20.148  3.2682  66.970    17.305    85.078    26.238    53.028    23.023    22.730  4.4688  17.565  4.7702  5.164843       6.536435 
1 1 1 6   -37 14 o 11.278  3.1974  14.454    14.530    25.279    23.246    7.5139    18.614    12.767  4.8785  9.7895  4.1344  2.977204       6.394726 
1 1 1 6   -37 15 o 10.237  3.0156  8.6129    12.923    17.558    22.800    4.3786    15.687    11.641  4.7113  8.8334  3.7656  2.808031       6.031289 
1 1 1 6   -37 16 o 11.623  3.2494  16.324    14.737    28.903    24.029    8.7395    18.659    13.303  4.9879  9.9418  4.1658  3.361679       6.498716 
1 1 1 6   -37 17 o 12.448  3.0940  21.847    15.550    -9.4850   24.858    41.991    19.932    9.1561  4.2463  15.740  4.5012  -6.583738      6.188086 
1 1 1 6   -37 18 o 26.658  3.1078  115.094   20.954    153.549   31.305    83.883    28.203    31.313  3.8112  22.003  4.9101  9.309704       6.215608 
1 1 1 6   -37 19 f 10.461  3.0737  1.2080    14.747    31.430    24.726    -15.4768  18.372    13.575  5.0656  7.3466  3.4828  6.228426       6.147411 
1 1 1 6   -37 20 o 17.074  3.6749  53.434    18.186    57.443    27.720    50.404    24.098    17.451  5.3887  16.697  4.9980  0.7536697      7.349728 
1 1 1 6   -37 21 o 10.290  3.1480  7.6241    15.368    13.900    25.528    4.0564    19.247    11.252  4.8004  9.3283  4.0738  1.924026       6.296005 
1 1 1 6   -37 22 o 9.2867  2.9650  -2.2005   15.365    8.3760    24.399    -9.1515   19.780    10.483  4.5821  8.0907  3.7643  2.392017       5.930006 
1 1 1 6   -37 23 o 10.926  3.2690  14.073    16.598    8.1884    25.791    18.234    21.686    10.555  4.6591  11.297  4.5868  -0.7418642     6.538040 
1 1 1 6   -37 24 o 11.596  3.3050  9.3225    17.206    45.893    27.559    -14.0361  22.025    15.121  5.3924  8.0720  3.8228  7.048694       6.610032 
1 1 1 6   -37 25 o 12.223  3.4994  24.305    17.734    35.099    27.212    16.335    23.382    13.450  5.2410  10.996  4.6384  2.453256       6.998776 
1 1 1 6   -36 4  o 8.3764  2.6428  -1.4926   11.740    -4.8470   19.585    0.3886    14.667    8.6333  3.9153  8.1195  3.5508  0.5137863      5.285620 
1 1 1 6   -36 5  o 11.333  3.0267  16.728    13.419    2.9254    20.966    26.305    17.465    9.7452  4.2539  12.921  4.3068  -3.175807      6.053473 
1 1 1 6   -36 6  f 7.6962  2.5220  -12.4739  11.551    0.6256    20.008    -19.0225  14.146    9.3432  4.1149  6.0492  2.9173  3.294041       5.044064 
1 1 1 6   -36 7  o 12.090  3.1365  14.381    14.295    39.582    22.921    -1.6618   18.288    15.421  4.9199  8.7590  3.8919  6.661715       6.273089 
1 1 1 6   -36 8  o 30.229  2.6849  136.461   21.029    164.736   31.810    114.510   28.028    33.128  3.6453  27.330  3.9429  5.797588       5.369761 
1 1 1 6   -36 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -36 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -36 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -36 12 o 11.772  3.2517  16.728    14.731    23.993    22.838    11.553    19.276    12.887  4.8567  10.656  4.3252  2.230864       6.503457 
1 1 1 6   -36 13 o 11.452  3.1656  15.797    13.827    20.613    21.974    12.640    17.791    12.303  4.7331  10.601  4.2051  1.702099       6.331279 
1 1 1 6   -36 14 o 13.566  3.0101  22.465    13.474    51.697    21.802    4.4009    17.138    17.851  4.5471  9.2801  3.9455  8.570834       6.020268 
1 1 1 6   -36 15 o 17.490  3.4993  49.773    17.508    68.238    26.409    35.295    23.385    20.278  4.9138  14.702  4.9835  5.575241       6.998600 
1 1 1 6   -36 16 o 9.7536  2.9550  4.7239    13.790    -1.8083   22.092    8.8937    17.651    9.5221  4.2511  9.9851  4.1056  -0.4629669     5.909980 
1 1 1 6   -36 17 o 19.970  3.2048  65.310    16.607    60.547    25.727    68.713    21.745    18.944  4.9979  20.996  4.0130  -2.052176      6.409600 
1 1 1 6   -36 18 o 8.7391  2.6942  -2.6159   12.989    -26.6759  21.811    10.606    16.169    7.5038  3.6197  9.9745  3.9917  -2.470686      5.388494 
1 1 1 6   -36 19 o 43.205  2.5106  281.427   28.487    244.030   40.633    317.577   39.949    39.962  3.8436  46.448  3.2312  -6.486691      5.021299 
1 1 1 6   -36 20 o 18.442  3.4877  57.827    17.524    60.026    25.860    55.959    23.829    18.678  5.0487  18.206  4.8133  0.4714489      6.975426 
1 1 1 6   -36 21 o 20.695  3.4773  71.580    19.604    103.436   29.461    46.267    26.262    25.200  4.5314  16.190  5.2757  9.009691       6.954626 
1 1 1 6   -36 22 o 9.7604  3.0483  2.0959    15.535    -0.1628   23.921    3.7434    20.429    9.8546  4.4098  9.6662  4.2098  0.1883764      6.096620 
1 1 1 6   -36 23 o 14.837  3.6998  36.877    18.727    53.415    28.155    23.755    25.079    17.031  5.4548  12.644  4.9999  4.386752       7.399570 
1 1 1 6   -36 24 o 20.656  5.4954  78.857    30.936    78.857    30.936    0.0000    0.0000    20.656  5.4954  ?       ?       ?              ?        
1 1 1 6   -36 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -36 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -36 27 o 17.820  5.4873  62.678    28.766    0.0000    0.0000    62.678    28.766    ?       ?       17.820  5.4873  ?              ?        
1 1 1 6   -36 28 o 9.2362  2.9969  -2.6751   16.810    -9.2985   26.550    1.7566    21.717    9.1531  4.2920  9.3193  4.1837  -0.1661949     5.993712 
1 1 1 6   -36 29 o 17.356  3.6789  59.131    19.909    88.759    29.519    34.410    26.964    21.417  5.1983  13.295  5.2071  8.121812       7.357720 
1 1 1 6   -36 30 o 8.4765  2.7475  -11.8021  15.896    -46.6101  24.588    13.191    20.835    6.7388  3.3617  10.214  4.3466  -3.475275      5.494956 
1 1 1 6   -35 0  o 24.881  3.9813  109.286   22.961    107.640   47.131    109.798   26.293    22.941  7.0171  26.821  3.7634  -3.880852      7.962593 
1 1 1 6   -35 1  o 8.5014  2.7780  -6.5751   12.896    -14.0227  26.767    -4.3241   14.716    9.3886  4.3718  7.6142  3.4288  1.774444       5.556013 
1 1 1 6   -35 2  o 17.417  3.5218  56.205    18.435    23.150    36.663    67.391    21.327    13.901  5.8328  20.933  3.9486  -7.032424      7.043666 
1 1 1 6   -35 3  o 19.684  3.4276  77.297    19.868    17.443    40.001    96.898    22.891    13.753  5.9401  25.615  3.4219  -11.86204      6.855251 
1 1 1 6   -35 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -35 5  o 35.004  3.6182  180.852   33.434    180.852   33.434    0.0000    0.0000    35.004  3.6182  ?       ?       ?              ?        
1 1 1 6   -35 6  o 24.008  2.9528  86.700    17.911    123.818   27.119    57.982    23.853    28.974  3.5699  19.041  4.7044  9.932945       5.905523 
1 1 1 6   -35 7  o 22.569  2.9709  80.362    16.981    63.089    25.441    94.241    22.805    19.813  4.8364  25.325  3.4518  -5.512161      5.941846 
1 1 1 6   -35 8  o 30.318  2.5898  136.059   20.488    133.025   30.268    138.624   27.833    29.835  3.8795  30.802  3.4320  -0.9673691     5.179646 
1 1 1 6   -35 9  o 7.9399  2.4991  -2.0268   10.226    -14.1923  19.730    2.4418    11.957    8.0119  3.7383  7.8679  3.3178  0.1440339      4.998224 
1 1 1 6   -35 10 o 15.216  3.1225  37.035    15.166    12.985    23.345    54.598    19.950    11.579  4.7367  18.853  4.0700  -7.274127      6.245055 
1 1 1 6   -35 11 o 12.349  3.1822  21.459    13.744    14.979    22.407    25.367    17.401    11.709  4.6944  12.990  4.2975  -1.281343      6.364380 
1 1 1 6   -35 12 o 24.218  2.8747  88.820    17.942    95.635    26.559    83.098    24.335    25.062  4.0982  23.375  4.0324  1.686262       5.749352 
1 1 1 6   -35 13 o 24.240  2.9419  88.714    18.218    112.625   27.362    69.676    24.416    27.414  3.8310  21.066  4.4658  6.348600       5.883881 
1 1 1 6   -35 14 o 17.913  3.3069  50.327    16.259    67.022    24.529    37.242    21.715    20.560  4.5724  15.266  4.7787  5.293789       6.613842 
1 1 1 6   -35 15 o 25.077  2.9087  95.536    18.793    106.326   28.004    86.695    25.349    26.392  4.0942  23.763  4.1328  2.629438       5.817403 
1 1 1 6   -35 16 o 18.389  3.2839  55.944    16.711    38.516    24.770    70.502    22.639    15.397  5.1289  21.381  4.1024  -5.983538      6.567718 
1 1 1 6   -35 17 o 18.602  3.4772  56.619    17.536    60.385    26.031    53.489    23.729    19.106  5.0209  18.098  4.8119  1.007475       6.954450 
1 1 1 6   -35 18 o 18.897  3.4630  58.347    17.624    64.490    26.268    53.318    23.766    19.764  4.9678  18.029  4.8259  1.734682       6.925924 
1 1 1 6   -35 19 o 25.388  3.0524  101.253   19.550    134.786   28.331    70.770    27.012    30.058  3.5899  20.718  4.9376  9.340357       6.104756 
1 1 1 6   -35 20 o 14.904  2.8114  19.395    15.572    77.498    24.619    -19.3535  20.105    22.181  4.2990  7.6277  3.6240  14.55366       5.622730 
1 1 1 6   -35 21 o 11.951  3.2506  10.394    15.713    39.428    25.425    -7.5506   19.988    15.354  5.1963  8.5478  3.9069  6.806388       6.501142 
1 1 1 6   -35 22 o 8.7231  2.8473  -10.1001  15.508    -19.1482  24.744    -4.2463   19.903    8.6173  4.0723  8.8289  3.9806  -0.2116680     5.694647 
1 1 1 6   -35 23 o 7.8667  2.5663  -14.1094  13.569    -39.6348  21.980    1.6079    17.248    6.8405  3.3706  8.8929  3.8707  -2.052329      5.132574 
1 1 1 6   -35 24 o 19.210  3.5082  65.065    19.115    42.219    28.359    84.085    25.876    15.552  5.4783  22.869  4.3840  -7.316682      7.016448 
1 1 1 6   -35 25 f 17.163  3.2999  50.684    18.438    14.299    27.195    81.642    25.085    11.809  4.9928  22.517  4.3163  -10.70839      6.599869 
1 1 1 6   -35 26 o 15.903  3.3356  40.256    18.242    6.9889    25.637    74.369    25.961    10.791  4.7075  21.014  4.7270  -10.22231      6.671200 
1 1 1 6   -35 27 o 24.029  3.4140  98.434    21.181    94.444    30.661    102.077   29.294    23.292  5.0595  24.765  4.5850  -1.473547      6.827917 
1 1 1 6   -35 28 o 27.114  3.2105  122.640   22.466    126.168   32.702    119.488   30.917    27.394  4.6214  26.834  4.4579  0.5592194      6.421050 
1 1 1 6   -35 29 o 16.889  5.5101  55.432    28.644    55.432    28.644    0.0000    0.0000    16.889  5.5101  ?       ?       ?              ?        
1 1 1 6   -35 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -35 31 o 17.820  5.4078  63.809    28.070    0.0000    0.0000    63.809    28.070    ?       ?       17.820  5.4078  ?              ?        
1 1 1 6   -35 32 o 17.110  3.8988  61.882    20.277    69.211    30.110    55.800    27.429    17.932  5.6293  16.288  5.3958  1.644480       7.797642 
1 1 1 6   -35 33 o 29.752  3.2582  162.976   24.949    152.748   36.158    172.271   34.470    28.234  4.9624  31.271  4.2234  -3.037163      6.516329 
1 1 1 6   -34 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -34 1  o 6.0739  2.9177  -18.2432  13.815    0.0000    0.0000    -18.2432  13.815    ?       ?       6.0739  2.9177  ?              ?        
1 1 1 6   -34 2  f 12.630  4.2819  23.262    17.264    0.0000    0.0000    23.262    17.264    ?       ?       12.630  4.2819  ?              ?        
1 1 1 6   -34 3  o 12.024  4.3476  19.703    17.979    0.0000    0.0000    19.703    17.979    ?       ?       12.024  4.3476  ?              ?        
1 1 1 6   -34 4  o 15.132  4.4196  35.390    19.033    0.0000    0.0000    35.390    19.033    ?       ?       15.132  4.4196  ?              ?        
1 1 1 6   -34 5  o 28.897  3.3134  120.648   25.182    0.0000    0.0000    120.648   25.182    ?       ?       28.897  3.3134  ?              ?        
1 1 1 6   -34 6  o 22.611  3.7587  76.992    19.759    95.505    40.899    71.356    22.567    23.459  6.3526  21.762  4.0195  1.696703       7.517428 
1 1 1 6   -34 7  o 29.123  3.5335  130.284   23.255    138.307   45.816    127.500   26.990    28.630  6.1574  29.615  3.4681  -0.9851341     7.066942 
1 1 1 6   -34 8  o 12.649  3.1491  20.008    12.851    33.210    22.098    13.262    15.796    14.705  4.8418  10.594  4.0278  4.110875       6.298132 
1 1 1 6   -34 9  o 40.194  2.2871  231.233   24.392    238.622   35.435    224.578   33.627    40.776  3.2720  39.612  3.1966  1.164219       4.574288 
1 1 1 6   -34 10 o 38.175  2.3252  209.254   23.521    221.354   33.799    197.891   32.753    39.287  3.2409  37.063  3.3351  2.223911       4.650353 
1 1 1 6   -34 11 f 13.561  3.0513  23.780    13.202    44.602    20.874    9.8994    17.043    16.893  4.5232  10.228  4.0965  6.664386       6.102514 
1 1 1 6   -34 12 f 40.842  2.2954  239.149   24.877    253.794   35.662    225.265   34.721    42.115  3.1849  39.568  3.3064  2.546982       4.590858 
1 1 1 6   -34 13 o 10.684  3.0623  10.201    13.496    12.707    20.859    8.3960    17.700    11.258  4.5237  10.110  4.1289  1.147209       6.124681 
1 1 1 6   -34 14 o 10.572  2.9883  10.986    12.481    11.713    20.461    10.554    15.752    11.049  4.4661  10.094  3.9717  0.9544334      5.976655 
1 1 1 6   -34 15 o 9.5897  2.8686  2.2972    13.410    -12.1912  20.788    12.623    17.550    8.4552  3.9078  10.724  4.2006  -2.269073      5.737261 
1 1 1 6   -34 16 o 8.1684  2.6300  -7.5062   12.317    -5.0078   19.727    -9.1026   15.769    8.8689  3.9841  7.4680  3.4342  1.400912       5.259907 
1 1 1 6   -34 17 o 8.1252  2.6008  -7.5941   11.831    0.5249    19.135    -12.6194  15.054    9.3291  4.0683  6.9214  3.2411  2.407715       5.201542 
1 1 1 6   -34 18 o 13.697  3.2571  28.653    14.569    19.005    22.286    35.854    19.253    12.275  4.7541  15.119  4.4535  -2.843947      6.514231 
1 1 1 6   -34 19 o 14.739  3.3666  34.028    15.069    36.795    22.650    31.830    20.184    15.192  4.8953  14.285  4.6231  0.9073696      6.733260 
1 1 1 6   -34 20 o 26.477  2.9034  106.810   19.801    122.420   28.605    92.451    27.436    28.558  3.8366  24.395  4.3588  4.163078       5.806770 
1 1 1 6   -34 21 o 10.672  3.0916  5.3510    14.625    23.814    22.759    -7.6348   19.087    12.946  4.8542  8.3969  3.8300  4.549463       6.183281 
1 1 1 6   -34 22 o 14.908  3.0844  35.202    15.163    9.0783    22.834    55.808    20.280    10.905  4.5909  18.910  4.1203  -8.005568      6.168742 
1 1 1 6   -34 23 o 15.274  3.3417  38.299    16.656    16.282    25.373    54.972    22.080    12.074  4.9385  18.474  4.5031  -6.400290      6.683350 
1 1 1 6   -34 24 f 15.659  3.5409  41.339    17.540    27.408    26.384    52.371    23.479    13.557  5.1933  17.761  4.8147  -4.203764      7.081797 
1 1 1 6   -34 25 o 9.2055  2.8953  -6.7844   15.417    -26.9877  22.621    10.740    21.067    7.6683  3.6959  10.743  4.4577  -3.074421      5.790518 
1 1 1 6   -34 26 o 24.767  3.3014  101.980   20.866    74.444    29.791    128.497   29.235    20.640  5.3460  28.893  3.8753  -8.252842      6.602833 
1 1 1 6   -34 27 o 16.764  3.6149  49.051    18.088    38.646    25.953    58.879    25.223    15.005  5.2436  18.523  4.9773  -3.518353      7.229762 
1 1 1 6   -34 28 o 47.216  2.4555  335.560   30.828    335.302   44.099    335.806   43.112    47.129  3.5187  47.303  3.4259  -0.1732941     4.911048 
1 1 1 6   -34 29 o 10.697  3.1710  4.8727    17.202    -22.2826  26.001    26.011    22.941    8.5266  4.0708  12.867  4.8631  -4.340242      6.341991 
1 1 1 6   -34 30 o 10.756  3.2135  6.9941    16.547    25.019    24.673    -7.7401   22.308    12.701  4.9792  8.8111  4.0638  3.889892       6.427011 
1 1 1 6   -34 31 o 16.120  3.1610  42.439    18.949    -7.2233   27.842    85.293    25.863    9.7031  4.4979  22.536  4.4425  -12.83315      6.321948 
1 1 1 6   -34 32 o 40.299  2.7055  257.828   28.375    313.433   41.506    209.039   38.878    44.931  3.4758  35.667  4.1470  9.264221       5.411011 
1 1 1 6   -34 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -34 34 o 19.971  3.9040  49.004    24.228    194.711   49.083    2.0659    27.858    29.940  6.3190  10.002  4.5866  19.93842       7.808054 
1 1 1 6   -34 35 o 14.595  3.7327  46.616    19.095    38.674    27.905    53.610    26.187    13.415  5.2838  15.775  5.2739  -2.359610      7.465417 
1 1 1 6   -33 0  o 19.599  4.5372  59.417    23.347    59.417    23.347    0.0000    0.0000    19.599  4.5372  ?       ?       ?              ?        
1 1 1 6   -33 1  o 11.170  4.3229  14.115    18.415    14.115    18.415    0.0000    0.0000    11.170  4.3229  ?       ?       ?              ?        
1 1 1 6   -33 2  o 12.658  4.5325  22.092    19.489    22.092    19.489    0.0000    0.0000    12.658  4.5325  ?       ?       ?              ?        
1 1 1 6   -33 3  o 13.689  4.7332  27.204    21.119    27.204    21.119    0.0000    0.0000    13.689  4.7332  ?       ?       ?              ?        
1 1 1 6   -33 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -33 5  o 28.988  3.2698  120.331   24.945    0.0000    0.0000    120.331   24.945    ?       ?       28.988  3.2698  ?              ?        
1 1 1 6   -33 6  o 38.479  3.0445  209.278   31.122    0.0000    0.0000    209.278   31.122    ?       ?       38.479  3.0445  ?              ?        
1 1 1 6   -33 7  o 43.758  3.0682  270.344   35.733    0.0000    0.0000    270.344   35.733    ?       ?       43.758  3.0682  ?              ?        
1 1 1 6   -33 8  o 69.694  3.1572  684.461   58.937    0.0000    0.0000    684.461   58.937    ?       ?       69.694  3.1572  ?              ?        
1 1 1 6   -33 9  o 35.434  3.1949  178.223   29.997    0.0000    0.0000    178.223   29.997    ?       ?       35.434  3.1949  ?              ?        
1 1 1 6   -33 10 o 17.554  3.3927  54.972    17.509    12.807    36.426    67.641    19.968    13.568  5.7598  21.541  3.5868  -7.973390      6.785324 
1 1 1 6   -33 11 f 19.960  3.3201  75.563    20.170    4.8269    37.894    103.527   23.826    13.067  5.7110  26.854  3.3878  -13.78688      6.640284 
1 1 1 6   -33 12 o 10.066  2.7317  3.5410    11.064    24.545    18.263    -8.6359   13.906    13.091  4.4042  7.0406  3.2330  6.050789       5.463437 
1 1 1 6   -33 13 o 23.721  2.7463  82.649    16.820    84.696    24.581    80.847    23.065    23.956  3.9698  23.485  3.7961  0.4709778      5.492663 
1 1 1 6   -33 14 o 44.414  2.2050  278.589   26.064    280.189   37.049    277.020   36.674    44.536  3.1256  44.293  3.1110  0.2429199      4.409960 
1 1 1 6   -33 15 o 27.136  2.8425  111.696   18.983    72.603    26.903    150.456   26.789    21.695  4.7604  32.577  3.1077  -10.88236      5.685041 
1 1 1 6   -33 16 o 40.080  2.2883  228.667   24.250    205.216   34.099    252.661   34.493    37.869  3.3979  42.291  3.0658  -4.421341      4.576612 
1 1 1 6   -33 17 o 18.859  3.3320  55.278    16.778    55.028    24.165    55.510    23.313    18.781  4.7891  18.937  4.6341  -0.1560135     6.664065 
1 1 1 6   -33 18 o 10.768  2.8665  9.2579    13.163    -14.4034  20.382    26.189    17.241    8.2297  3.8264  13.306  4.2694  -5.076020      5.733096 
1 1 1 6   -33 19 o 20.985  3.1626  67.598    17.201    69.667    25.242    65.804    23.504    21.233  4.5734  20.737  4.3695  0.4960232      6.325266 
1 1 1 6   -33 20 o 15.208  3.2706  35.792    15.607    18.218    23.177    50.373    21.111    12.380  4.8334  18.037  4.4074  -5.656638      6.541145 
1 1 1 6   -33 21 o 11.355  3.2047  13.499    14.703    10.165    22.370    16.034    19.508    11.146  4.6065  11.564  4.4566  -0.4185715     6.409472 
1 1 1 6   -33 22 o 16.317  3.4093  41.267    16.314    56.172    24.274    28.988    22.031    18.745  4.8105  13.888  4.8325  4.856993       6.818630 
1 1 1 6   -33 23 o 19.388  3.4111  60.023    17.627    67.485    26.116    53.779    23.890    20.504  4.8341  18.273  4.8140  2.230679       6.822255 
1 1 1 6   -33 24 o 15.646  3.4051  37.776    16.719    57.549    24.314    20.042    23.027    18.850  4.8022  12.441  4.8287  6.408576       6.810109 
1 1 1 6   -33 25 o 13.658  3.4107  26.743    15.971    40.712    23.960    15.573    21.425    15.746  5.0309  11.570  4.6067  4.175824       6.821358 
1 1 1 6   -33 26 o 12.538  2.8905  3.4115    15.267    55.446    23.599    -34.0417  20.022    18.376  4.7574  6.7003  3.2846  11.67609       5.781080 
1 1 1 6   -33 27 o 46.778  2.3731  322.827   29.507    317.311   42.371    328.021   41.116    46.277  3.4430  47.279  3.2668  -1.002167      4.746230 
1 1 1 6   -33 28 o 17.193  3.3201  45.762    17.985    83.991    26.970    15.153    24.134    22.722  4.5895  11.664  4.7989  11.05790       6.640260 
1 1 1 6   -33 29 o 12.053  3.3967  17.544    16.543    28.923    25.375    9.1315    21.818    13.535  5.1149  10.571  4.4709  2.963428       6.793466 
1 1 1 6   -33 30 o 33.966  2.6757  178.322   23.800    165.021   34.130    190.912   33.206    32.453  4.0119  35.478  3.5416  -3.025860      5.351465 
1 1 1 6   -33 31 f 10.962  3.2488  11.027    16.185    19.988    23.934    3.4771    21.971    12.067  4.8469  9.8580  4.3275  2.209024       6.497682 
1 1 1 6   -33 32 o 8.2180  2.7466  -16.3136  15.983    -21.7116  23.434    -11.6184  21.855    8.0233  3.8398  8.4127  3.9283  -0.3894339     5.493223 
1 1 1 6   -33 33 o 35.804  2.7828  203.895   26.202    215.156   38.460    194.143   35.793    36.664  3.9803  34.944  3.8903  1.720474       5.565663 
1 1 1 6   -33 34 o 11.501  3.3435  15.239    16.940    32.182    25.779    2.3620    22.474    13.410  5.1342  9.5915  4.2845  3.818649       6.687068 
1 1 1 6   -33 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -33 36 o 9.0579  4.2177  -5.0168   24.913    0.0000    0.0000    -5.0168   24.913    ?       ?       9.0579  4.2177  ?              ?        
1 1 1 6   -33 37 o 11.427  3.3981  19.725    18.678    38.288    26.526    1.4720    26.303    13.331  5.1802  9.5231  4.3994  3.807852       6.796231 
1 1 1 6   -32 0  o 27.091  2.7329  109.024   18.872    122.368   25.626    93.212    27.895    29.245  3.3309  24.937  4.3336  4.307993       5.465819 
1 1 1 6   -32 1  o 30.037  2.5854  129.926   20.188    126.791   26.727    134.090   30.805    29.749  3.4163  30.325  3.8816  -0.5768642     5.170813 
1 1 1 6   -32 2  o 7.1925  3.3578  -13.3447  15.954    -13.3447  15.954    0.0000    0.0000    7.1925  3.3578  ?       ?       ?              ?        
1 1 1 6   -32 3  o 10.001  4.0605  7.6772    16.993    7.6772    16.993    0.0000    0.0000    10.001  4.0605  ?       ?       ?              ?        
1 1 1 6   -32 4  o 10.822  4.2963  10.963    18.586    10.963    18.586    0.0000    0.0000    10.822  4.2963  ?       ?       ?              ?        
1 1 1 6   -32 5  o 32.861  3.2283  152.469   28.049    152.469   28.049    0.0000    0.0000    32.861  3.2283  ?       ?       ?              ?        
1 1 1 6   -32 6  o 28.580  3.4458  116.300   25.846    116.300   25.846    0.0000    0.0000    28.580  3.4458  ?       ?       ?              ?        
1 1 1 6   -32 7  o 42.993  3.1758  259.127   36.312    259.127   36.312    0.0000    0.0000    42.993  3.1758  ?       ?       ?              ?        
1 1 1 6   -32 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -32 9  o 5.0562  2.4951  -26.0306  12.200    0.0000    0.0000    -26.0306  12.200    ?       ?       5.0562  2.4951  ?              ?        
1 1 1 6   -32 10 o 20.509  3.7752  61.082    19.974    0.0000    0.0000    61.082    19.974    ?       ?       20.509  3.7752  ?              ?        
1 1 1 6   -32 11 o 24.265  3.6235  84.440    22.828    0.0000    0.0000    84.440    22.828    ?       ?       24.265  3.6235  ?              ?        
1 1 1 6   -32 12 o 24.105  3.6410  83.400    22.776    0.0000    0.0000    83.400    22.776    ?       ?       24.105  3.6410  ?              ?        
1 1 1 6   -32 13 o 6.8682  3.1848  -10.8999  13.977    0.0000    0.0000    -10.8999  13.977    ?       ?       6.8682  3.1848  ?              ?        
1 1 1 6   -32 14 o 22.153  3.5932  78.436    19.205    64.444    37.050    83.576    22.457    20.159  6.2307  24.147  3.5807  -3.987730      7.186308 
1 1 1 6   -32 15 o 21.268  2.9312  66.500    16.082    69.471    23.389    63.836    22.149    21.716  4.1727  20.819  4.1178  0.8970871      5.862393 
1 1 1 6   -32 16 o 26.765  2.5748  102.660   17.928    112.142   25.744    93.731    24.982    28.045  3.5036  25.484  3.7740  2.560793       5.149581 
1 1 1 6   -32 17 o 44.526  2.2002  277.663   26.073    273.137   36.704    282.274   37.045    44.150  3.1239  44.901  3.0992  -0.7509956     4.400427 
1 1 1 6   -32 18 o 54.340  2.1814  413.340   31.606    399.956   44.682    426.742   44.713    53.418  3.1367  55.262  3.0323  -1.844742      4.362758 
1 1 1 6   -32 19 o 38.684  2.3244  211.676   23.769    233.123   33.956    191.072   33.283    40.706  3.1385  36.661  3.4293  4.045784       4.648710 
1 1 1 6   -32 20 o 20.879  3.1528  66.223    17.118    56.636    24.418    75.489    24.005    19.195  4.7702  22.564  4.1240  -3.368322      6.305686 
1 1 1 6   -32 21 f 30.423  2.5333  133.581   19.886    161.908   28.669    107.313   27.608    33.780  3.2071  27.066  3.9225  6.713234       5.066646 
1 1 1 6   -32 22 f 17.863  3.4010  49.595    16.640    52.318    23.853    47.014    23.224    18.339  4.8000  17.388  4.8195  0.9510765      6.802020 
1 1 1 6   -32 23 o 28.018  2.7541  115.751   19.927    99.232    27.849    133.080   28.524    25.751  4.1810  30.284  3.5861  -4.532843      5.508290 
1 1 1 6   -32 24 f 11.136  3.1191  12.032    14.011    19.194    20.320    5.5413    19.346    12.213  4.5853  10.058  4.2296  2.155293       6.238153 
1 1 1 6   -32 25 o 11.627  2.9215  5.1314    14.362    40.361    21.467    -23.4146  19.324    16.008  4.6989  7.2462  3.4729  8.762024       5.842998 
1 1 1 6   -32 26 o 25.628  2.9210  99.643    19.344    107.050   27.954    92.836    26.797    26.613  4.0493  24.643  4.2111  1.970285       5.842071 
1 1 1 6   -32 27 o 37.612  2.4137  206.745   24.032    212.753   34.846    201.295   33.187    38.100  3.4521  37.124  3.3743  0.9754982      4.827353 
1 1 1 6   -32 28 o 25.838  2.9329  101.987   19.511    115.191   29.418    91.619    26.069    27.339  4.1476  24.337  4.1478  3.001289       5.865755 
1 1 1 6   -32 29 f 15.569  3.4101  41.001    16.570    25.262    25.775    52.087    21.632    13.224  5.1152  17.914  4.5110  -4.690581      6.820175 
1 1 1 6   -32 30 o 9.9937  3.0807  3.1433    15.455    7.3228    23.011    -0.2912   20.859    10.591  4.5389  9.3969  4.1667  1.193726       6.161406 
1 1 1 6   -32 31 o 13.424  3.4135  28.325    16.445    15.148    24.409    39.279    22.254    11.620  4.8080  15.228  4.8467  -3.607976      6.826981 
1 1 1 6   -32 32 o 32.106  2.6898  159.658   22.639    157.877   32.793    161.280   31.292    31.786  3.9359  32.426  3.6674  -0.6400871     5.379684 
1 1 1 6   -32 33 o 9.6484  3.0330  0.5692    15.943    -7.6108   23.769    7.2592    21.496    9.1185  4.2017  10.178  4.3752  -1.059801      6.066040 
1 1 1 6   -32 34 f 20.648  3.5736  75.711    19.649    82.704    28.025    68.950    27.556    21.774  4.9211  19.522  5.1832  2.252554       7.147157 
1 1 1 6   -32 35 o 24.382  3.3688  103.352   21.174    95.329    30.436    110.877   29.477    23.071  5.0641  25.693  4.4441  -2.621977      6.737572 
1 1 1 6   -32 36 o 11.233  3.0811  0.3369    17.515    -46.8299  24.988    45.897    24.558    6.9470  3.4531  15.520  5.1039  -8.572874      6.162284 
1 1 1 6   -32 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -32 38 o 12.572  3.8138  30.830    22.512    17.750    47.764    34.565    25.525    12.066  5.6885  13.078  5.0816  -1.012259      7.627661 
1 1 1 6   -32 39 o 9.7686  3.1503  5.5728    18.635    -6.4732   27.017    16.505    25.737    8.9253  4.2289  10.612  4.6705  -1.686654      6.300613 
1 1 1 6   -31 0  o 30.186  2.3340  129.181   18.510    122.408   26.578    135.560   25.794    29.336  3.4482  31.036  3.1464  -1.699131      4.668001 
1 1 1 6   -31 1  f 21.540  2.7931  69.894    15.230    48.470    22.119    89.207    21.001    17.953  4.5839  25.127  3.1925  -7.174160      5.586106 
1 1 1 6   -31 2  o 15.567  3.0017  35.927    12.864    33.925    18.895    37.656    17.562    15.164  4.3963  15.971  4.0882  -0.8067198     6.003385 
1 1 1 6   -31 3  o 20.611  2.7762  63.670    14.592    43.151    21.062    82.612    20.236    17.018  4.5376  24.204  3.1998  -7.186071      5.552339 
1 1 1 6   -31 4  o 25.546  2.5523  94.202    16.580    73.992    23.648    113.742   23.253    22.574  4.0604  28.519  3.0936  -5.945683      5.104632 
1 1 1 6   -31 5  o 42.082  2.4514  252.454   26.454    268.249   34.138    228.713   41.852    44.041  2.9103  40.122  3.9455  3.919552       4.902782 
1 1 1 6   -31 6  o 14.236  4.3930  29.104    18.426    29.104    18.426    0.0000    0.0000    14.236  4.3930  ?       ?       ?              ?        
1 1 1 6   -31 7  o 21.021  4.0421  64.057    21.932    64.057    21.932    0.0000    0.0000    21.021  4.0421  ?       ?       ?              ?        
1 1 1 6   -31 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 13 o 14.672  4.6037  30.781    20.141    0.0000    0.0000    30.781    20.141    ?       ?       14.672  4.6037  ?              ?        
1 1 1 6   -31 14 o 23.276  3.6695  77.180    22.119    0.0000    0.0000    77.180    22.119    ?       ?       23.276  3.6695  ?              ?        
1 1 1 6   -31 15 o 41.463  3.0898  238.395   34.069    0.0000    0.0000    238.395   34.069    ?       ?       41.463  3.0898  ?              ?        
1 1 1 6   -31 16 o 11.441  3.1227  12.752    14.358    -19.0220  29.233    22.853    16.483    10.049  4.6407  12.833  4.1795  -2.784850      6.245309 
1 1 1 6   -31 17 o ?       ?       215.681   202938.80 254.814   287005.69 176.553   286991.91 ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 18 o ?       ?       461.950   370788.31 461.950   370788.31 0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 23 o 31.917  2.5030  144.993   20.914    165.446   30.466    126.764   28.761    34.148  3.3750  29.687  3.6972  4.461657       5.006019 
1 1 1 6   -31 24 f 30.919  2.4806  137.359   20.061    123.739   28.507    150.721   28.236    29.257  3.7221  32.581  3.2801  -3.324493      4.961130 
1 1 1 6   -31 25 o 14.689  3.2118  30.713    15.110    48.907    21.544    13.096    21.199    17.874  4.5023  11.504  4.5817  6.369526       6.423645 
1 1 1 6   -31 26 o 11.155  2.9489  9.7010    13.806    -12.8663  20.292    29.152    18.839    8.3445  3.8581  13.965  4.4608  -5.620993      5.897806 
1 1 1 6   -31 27 o 17.921  3.3154  51.791    16.519    37.159    25.043    63.060    21.978    15.466  5.1573  20.375  4.1677  -4.908504      6.630757 
1 1 1 6   -31 28 o 19.323  3.3118  59.322    16.937    55.796    25.222    62.218    22.858    18.616  4.9664  20.029  4.3826  -1.412979      6.623634 
1 1 1 6   -31 29 o 22.194  3.2043  79.945    18.452    52.741    26.645    105.012   25.578    17.832  5.2352  26.556  3.6962  -8.723301      6.408557 
1 1 1 6   -31 30 o 13.607  3.2999  27.614    15.638    11.343    23.060    41.468    21.278    11.219  4.6601  15.996  4.6733  -4.777297      6.599735 
1 1 1 6   -31 31 o 12.067  3.0518  16.732    14.987    -11.0187  22.727    38.086    19.936    8.8272  4.0819  15.307  4.5378  -6.479615      6.103567 
1 1 1 6   -31 32 o 34.079  2.5715  174.935   22.684    214.573   33.100    139.833   31.149    38.092  3.2761  30.067  3.9646  8.025116       5.143019 
1 1 1 6   -31 33 f 26.297  2.9580  109.781   20.123    115.305   28.730    104.461   28.194    27.038  4.0954  25.557  4.2693  1.481094       5.916043 
1 1 1 6   -31 34 o 11.930  3.1585  13.876    16.162    -13.9445  23.018    40.931    22.699    8.5087  3.9919  15.351  4.8958  -6.841865      6.316960 
1 1 1 6   -31 35 o 10.422  3.1479  7.5349    16.026    -3.4072   23.224    17.482    22.142    9.3460  4.2481  11.498  4.6465  -2.152095      6.295798 
1 1 1 6   -31 36 o 9.4506  2.9659  -2.4470   15.985    -21.8507  23.675    13.811    21.671    8.0156  3.8423  10.886  4.5193  -2.869953      5.931888 
1 1 1 6   -31 37 o 9.8758  3.1151  3.4347    16.741    2.5272    23.679    4.3417    23.672    9.7900  4.3837  9.9617  4.4269  -0.1716747     6.230127 
1 1 1 6   -31 38 o 19.231  3.8092  73.277    20.488    79.478    28.987    67.087    28.963    20.260  5.2860  18.202  5.4863  2.058067       7.618441 
1 1 1 6   -31 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -31 40 o 13.281  3.2368  24.071    18.774    -22.7449  26.318    72.581    26.790    7.9714  3.8765  18.590  5.1847  -10.61845      6.473678 
1 1 1 6   -30 0  o 9.3634  2.6645  5.5619    10.581    -2.1339   15.918    11.654    14.162    8.4763  3.7031  10.250  3.8320  -1.774179      5.328943 
1 1 1 6   -30 1  o 17.169  2.8870  43.721    13.239    33.056    19.327    53.148    18.172    15.095  4.4665  19.244  3.6591  -4.149628      5.773952 
1 1 1 6   -30 2  o 30.123  2.2084  126.124   17.542    127.634   25.443    124.755   24.218    30.274  3.1854  29.972  3.0596  0.3026981      4.416815 
1 1 1 6   -30 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -30 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -30 5  o 31.001  2.2481  133.445   18.294    150.359   26.182    117.311   25.571    33.000  2.9947  29.001  3.3537  3.998571       4.496156 
1 1 1 6   -30 6  o 26.706  2.2300  99.347    15.602    94.693    22.444    103.700   21.703    26.050  3.2901  27.363  3.0110  -1.313118      4.459947 
1 1 1 6   -30 7  o 34.288  2.1345  162.125   19.397    162.107   27.769    162.143   27.106    34.274  3.0570  34.302  2.9798  -0.2861023E-01 4.268972 
1 1 1 6   -30 8  o 49.660  2.3665  338.879   30.508    332.908   38.919    348.394   49.136    49.255  2.9638  50.065  3.6901  -0.8106041     4.733020 
1 1 1 6   -30 9  o 10.392  4.0429  9.9223    16.171    9.9223    16.171    0.0000    0.0000    10.392  4.0429  ?       ?       ?              ?        
1 1 1 6   -30 10 o 20.378  3.9738  59.476    20.910    59.476    20.910    0.0000    0.0000    20.378  3.9738  ?       ?       ?              ?        
1 1 1 6   -30 11 o 43.796  2.9451  263.263   34.347    263.263   34.347    0.0000    0.0000    43.796  2.9451  ?       ?       ?              ?        
1 1 1 6   -30 12 o 22.316  3.8076  70.713    21.942    70.713    21.942    0.0000    0.0000    22.316  3.8076  ?       ?       ?              ?        
1 1 1 6   -30 13 o 45.441  2.9383  283.376   35.571    283.376   35.571    0.0000    0.0000    45.441  2.9383  ?       ?       ?              ?        
1 1 1 6   -30 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -30 15 o 7.7038  3.5045  -8.9560   15.845    0.0000    0.0000    -8.9560   15.845    ?       ?       7.7038  3.5045  ?              ?        
1 1 1 6   -30 16 o 49.920  2.9674  342.367   39.498    0.0000    0.0000    342.367   39.498    ?       ?       49.920  2.9674  ?              ?        
1 1 1 6   -30 17 o 38.494  3.0787  204.598   31.478    0.0000    0.0000    204.598   31.478    ?       ?       38.494  3.0787  ?              ?        
1 1 1 6   -30 18 o 14.180  3.4045  28.415    15.473    5.9857    31.711    35.425    17.727    12.738  5.3889  15.621  4.1618  -2.883246      6.808902 
1 1 1 6   -30 19 o 23.301  2.7258  77.142    16.112    102.380   23.824    55.871    21.872    27.029  3.3635  19.573  4.2903  7.456110       5.451541 
1 1 1 6   -30 20 o 37.728  2.1881  198.493   21.718    224.028   30.473    172.131   30.962    40.324  2.8395  35.132  3.3301  5.192352       4.376283 
1 1 1 6   -30 21 o 13.615  3.0850  25.205    13.508    12.248    19.566    37.005    18.672    11.338  4.4369  15.892  4.2876  -4.554800      6.170083 
1 1 1 6   -30 22 o 50.827  2.1226  358.251   28.586    311.620   40.110    406.384   40.750    47.347  3.1812  54.306  2.8111  -6.958939      4.245294 
1 1 1 6   -30 23 o 49.605  2.0913  341.244   27.585    312.394   38.852    370.569   39.171    47.414  3.0759  51.795  2.8343  -4.380562      4.182597 
1 1 1 6   -30 24 o 28.535  2.4992  116.016   18.614    107.046   26.564    124.669   26.090    27.346  3.7235  29.723  3.3347  -2.376835      4.998417 
1 1 1 6   -30 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -30 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -30 27 o 20.176  3.1857  60.997    16.964    82.191    25.208    43.453    22.935    23.539  4.1498  16.813  4.8346  6.726282       6.371310 
1 1 1 6   -30 28 o 31.006  2.5563  140.088   20.597    129.060   30.424    149.420   27.985    29.657  3.9265  32.354  3.2744  -2.697487      5.112669 
1 1 1 6   -30 29 o 34.768  2.3539  173.202   21.623    181.774   31.613    165.667   29.642    35.559  3.3590  33.977  3.2987  1.582294       4.707850 
1 1 1 6   -30 30 o 12.817  3.3090  21.321    15.115    32.606    22.432    11.937    20.456    14.560  4.8811  11.073  4.4692  3.486534       6.618066 
1 1 1 6   -30 31 o 13.069  3.4000  24.440    15.609    24.659    23.187    24.259    21.109    13.174  4.9075  12.963  4.7071  0.2112846      6.800054 
1 1 1 6   -30 32 o 25.121  2.9308  96.854    18.971    108.504   28.075    87.065    25.735    26.581  4.0732  23.662  4.2151  2.918886       5.861513 
1 1 1 6   -30 33 o 14.717  3.4450  34.920    15.918    43.689    23.638    27.645    21.533    16.107  4.9766  13.328  4.7651  2.779496       6.890058 
1 1 1 6   -30 34 o 12.388  3.3460  22.375    15.464    21.158    22.574    23.451    21.226    12.260  4.7747  12.516  4.6889  -0.2557163     6.692008 
1 1 1 6   -30 35 o 19.100  3.5069  63.227    18.176    70.448    25.938    56.262    25.476    20.325  4.8348  17.875  5.0810  2.449932       7.013734 
1 1 1 6   -30 36 o 8.2181  2.7376  -16.5141  15.684    -6.2822   22.716    -25.8342  21.680    9.0202  4.1383  7.4159  3.5851  1.604273       5.475257 
1 1 1 6   -30 37 o 29.709  2.9452  143.096   22.789    144.621   32.533    141.626   31.933    29.841  4.1854  29.576  4.1448  0.2649612      5.890386 
1 1 1 6   -30 38 o 10.955  3.3461  11.647    17.955    9.0955    24.977    14.376    25.828    10.635  4.6426  11.276  4.8199  -0.6411142     6.692156 
1 1 1 6   -30 39 f 13.462  3.6105  32.589    19.096    15.241    27.905    47.868    26.188    11.354  4.9326  15.571  5.2737  -4.216398      7.220994 
1 1 1 6   -30 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -30 41 o 16.258  3.1605  44.509    20.285    -14.4912  28.225    107.537   29.172    8.7092  4.1801  23.807  4.7414  -15.09792      6.320955 
1 1 1 6   -29 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -29 1  o 42.043  2.0367  242.648   22.759    227.817   32.212    257.433   32.161    40.721  2.9739  43.366  2.7835  -2.644295      4.073323 
1 1 1 6   -29 2  o 42.490  2.0404  247.257   23.078    254.291   33.006    240.529   32.280    43.087  2.8765  41.894  2.8945  1.192837       4.080723 
1 1 1 6   -29 3  o 32.528  2.0695  145.278   17.822    153.755   25.577    137.280   24.845    33.469  2.8812  31.587  2.9716  1.882149       4.139059 
1 1 1 6   -29 4  o 25.337  2.3214  90.030    15.160    75.279    21.589    104.376   21.292    23.149  3.5988  27.525  2.9331  -4.376408      4.642710 
1 1 1 6   -29 5  o 28.657  2.1673  113.786   16.278    103.670   23.408    123.259   22.652    27.351  3.2595  29.963  2.8572  -2.612093      4.334519 
1 1 1 6   -29 6  f 77.579  2.2135  821.834   45.980    810.372   65.612    832.895   64.455    77.024  3.1803  78.135  3.0798  -1.110535      4.427098 
1 1 1 6   -29 7  o 57.702  2.0517  453.596   31.630    477.094   45.171    430.990   44.305    59.222  2.8476  56.182  2.9546  3.040737       4.103475 
1 1 1 6   -29 8  o 8.2027  2.2757  3.2459    8.2578    -13.9025  14.262    11.893    10.128    6.7402  3.1558  9.6652  3.2796  -2.924964      4.551385 
1 1 1 6   -29 9  o 7.1211  2.2857  -7.1398   9.2675    -8.3972   14.791    -6.3271   11.891    7.4731  3.3943  6.7690  3.0621  0.7040887      4.571373 
1 1 1 6   -29 10 o 34.215  2.0982  160.676   19.015    168.370   26.810    152.889   26.973    35.069  2.8796  33.361  3.0523  1.707680       4.196322 
1 1 1 6   -29 11 o 21.700  2.7756  67.011    15.446    69.523    20.867    63.966    22.973    22.241  3.6279  21.159  4.2017  1.081665       5.551197 
1 1 1 6   -29 12 o 48.626  2.8807  322.786   37.352    322.786   37.352    0.0000    0.0000    48.626  2.8807  ?       ?       ?              ?        
1 1 1 6   -29 13 o 60.931  2.9002  505.360   47.332    505.360   47.332    0.0000    0.0000    60.931  2.9002  ?       ?       ?              ?        
1 1 1 6   -29 14 o 37.924  2.9203  196.962   29.436    196.962   29.436    0.0000    0.0000    37.924  2.9203  ?       ?       ?              ?        
1 1 1 6   -29 15 o 44.212  2.8815  267.256   33.937    267.256   33.937    0.0000    0.0000    44.212  2.8815  ?       ?       ?              ?        
1 1 1 6   -29 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -29 17 o 37.276  2.9746  190.752   29.452    0.0000    0.0000    190.752   29.452    ?       ?       37.276  2.9746  ?              ?        
1 1 1 6   -29 18 o 17.072  4.2091  42.110    19.125    0.0000    0.0000    42.110    19.125    ?       ?       17.072  4.2091  ?              ?        
1 1 1 6   -29 19 o 33.987  3.0968  159.345   27.882    0.0000    0.0000    159.345   27.882    ?       ?       33.987  3.0968  ?              ?        
1 1 1 6   -29 20 o 34.253  2.8883  164.397   23.789    167.984   43.166    162.832   28.509    34.175  4.8519  34.330  3.1349  -0.1547813     5.776543 
1 1 1 6   -29 21 o 46.817  2.0593  300.981   25.693    302.127   36.158    299.813   36.515    46.916  2.8915  46.719  2.9329  0.1969376      4.118589 
1 1 1 6   -29 22 o 10.579  2.9974  7.3016    13.125    15.048    19.220    0.5330    17.967    11.777  4.4513  9.3819  4.0155  2.394758       5.994810 
1 1 1 6   -29 23 o 54.473  2.0677  408.449   29.967    364.649   42.142    453.249   42.621    51.401  3.0750  57.546  2.7651  -6.144424      4.135432 
1 1 1 6   -29 24 o 39.555  2.1222  216.500   22.305    215.924   32.030    217.043   31.079    39.482  3.0525  39.628  2.9491  -0.1463623     4.244373 
1 1 1 6   -29 25 f 30.055  2.3957  126.741   18.767    148.613   27.242    106.985   25.891    32.639  3.1555  27.472  3.6056  5.166031       4.791451 
1 1 1 6   -29 26 o 22.370  2.8337  74.782    16.218    130.901   23.967    27.385    22.026    30.655  2.9556  14.085  4.8358  16.56973       5.667480 
1 1 1 6   -29 27 o 11.465  3.0597  12.178    13.525    25.423    19.765    0.5154    18.547    13.510  4.5816  9.4197  4.0567  4.090501       6.119444 
1 1 1 6   -29 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -29 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -29 30 o 22.639  3.0650  76.917    17.809    111.031   26.451    48.631    24.086    27.636  3.6637  17.642  4.9146  9.993916       6.129972 
1 1 1 6   -29 31 f 19.921  3.1464  59.709    16.994    93.975    25.638    32.852    22.697    25.143  3.9360  14.698  4.9100  10.44462       6.292866 
1 1 1 6   -29 32 o 31.964  2.5300  150.292   21.161    141.341   30.809    158.286   29.116    30.875  3.8060  33.053  3.3343  -2.177996      5.059925 
1 1 1 6   -29 33 o 10.172  3.0614  5.5389    14.622    6.3217    20.848    4.7812    20.513    10.295  4.3632  10.048  4.2954  0.2464485      6.122716 
1 1 1 6   -29 34 o 13.199  2.7446  10.721    15.585    60.440    21.940    -39.9202  22.143    19.504  4.3141  6.8936  3.3941  12.61056       5.489245 
1 1 1 6   -29 35 o 24.033  3.2836  99.744    20.171    57.561    29.541    136.589   27.609    17.901  5.5688  30.164  3.4810  -12.26304      6.567258 
1 1 1 6   -29 36 o 24.121  3.1429  94.941    19.339    125.522   28.130    67.534    26.630    28.498  3.7785  19.744  5.0233  8.753080       6.285749 
1 1 1 6   -29 37 o 22.810  3.3379  89.241    19.868    61.922    27.819    117.685   28.386    18.403  5.3341  27.217  4.0143  -8.814516      6.675817 
1 1 1 6   -29 38 o 9.9624  3.1252  3.2474    16.593    2.3695    24.316    4.0125    22.699    10.002  4.4631  9.9226  4.3758  0.7970524E-01  6.250349 
1 1 1 6   -29 39 o 20.346  3.5083  76.156    20.095    46.569    28.272    106.362   28.567    15.512  5.4693  25.180  4.3955  -9.668092      7.016651 
1 1 1 6   -29 40 o 11.323  3.4597  14.658    19.389    7.0870    27.483    22.161    27.359    10.581  4.7314  12.064  5.0490  -1.482695      6.919425 
1 1 1 6   -29 41 o 9.9909  4.6605  -2.3381   30.635    -2.3381   30.635    0.0000    0.0000    9.9909  4.6605  ?       ?       ?              ?        
1 1 1 6   -29 42 o 8.2896  2.8061  -16.4889  18.120    -3.3453   24.376    -32.7204  27.088    8.9273  4.1619  7.6520  3.7649  1.275305       5.612160 
1 1 1 6   -28 0  o 22.558  2.4963  72.986    13.995    46.922    19.551    100.377   20.042    18.082  4.1276  27.034  2.8089  -8.951822      4.992691 
1 1 1 6   -28 1  o 35.899  2.0614  176.439   19.638    169.745   27.768    183.138   27.777    35.197  2.9733  36.600  2.8560  -1.402466      4.122787 
1 1 1 6   -28 2  o 30.443  2.1392  127.665   16.930    155.259   24.412    102.096   23.500    33.722  2.7261  27.163  3.2975  6.558714       4.278449 
1 1 1 6   -28 3  o 44.825  1.9681  273.860   23.495    265.852   33.516    281.597   32.944    44.161  2.8488  45.490  2.7162  -1.329666      3.936136 
1 1 1 6   -28 4  o 28.613  2.1144  112.426   15.965    113.629   22.628    111.234   22.527    28.769  2.9798  28.456  3.0007  0.3127785      4.228877 
1 1 1 6   -28 5  o 57.094  2.0064  442.668   30.628    452.601   43.802    433.166   42.844    57.757  2.8314  56.432  2.8436  1.325226       4.012862 
1 1 1 6   -28 6  o 57.749  2.0087  452.411   31.067    453.932   44.312    450.941   43.568    57.840  2.8603  57.659  2.8210  0.1806755      4.017402 
1 1 1 6   -28 7  o 45.589  1.9862  282.788   24.132    289.634   34.432    276.179   33.830    46.136  2.7996  45.043  2.8183  1.093082       3.972456 
1 1 1 6   -28 8  o 31.819  2.1048  138.975   17.583    159.728   25.118    119.034   24.622    34.222  2.7639  29.417  3.1752  4.804739       4.209668 
1 1 1 6   -28 9  o 44.871  1.9656  273.932   23.507    274.199   33.408    273.670   33.081    44.890  2.7923  44.853  2.7671  0.3725815E-01  3.931160 
1 1 1 6   -28 10 o 56.408  2.0088  432.051   30.294    441.303   43.035    422.963   42.652    57.048  2.8164  55.768  2.8651  1.280338       4.017537 
1 1 1 6   -28 11 f 21.664  2.5549  66.994    14.048    51.850    20.219    81.128    19.533    19.082  4.0796  24.247  3.0769  -5.164503      5.109803 
1 1 1 6   -28 12 o 66.385  2.0647  598.683   36.678    625.714   51.732    571.359   52.011    67.916  2.8438  64.854  2.9941  3.061798       4.129414 
1 1 1 6   -28 13 o 79.274  2.6484  863.280   53.351    866.502   66.108    857.261   90.345    79.821  3.0921  78.728  4.3006  1.092537       5.296848 
1 1 1 6   -28 14 o 16.664  4.2591  39.737    19.082    39.737    19.082    0.0000    0.0000    16.664  4.2591  ?       ?       ?              ?        
1 1 1 6   -28 15 o 74.728  2.9729  759.065   59.506    759.065   59.506    0.0000    0.0000    74.728  2.9729  ?       ?       ?              ?        
1 1 1 6   -28 16 o 41.411  2.8559  233.977   31.483    233.977   31.483    0.0000    0.0000    41.411  2.8559  ?       ?       ?              ?        
1 1 1 6   -28 17 o 36.391  2.8518  181.004   27.575    181.004   27.575    0.0000    0.0000    36.391  2.8518  ?       ?       ?              ?        
1 1 1 6   -28 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -28 19 o 53.148  2.8409  385.274   40.295    0.0000    0.0000    385.274   40.295    ?       ?       53.148  2.8409  ?              ?        
1 1 1 6   -28 20 o 9.7321  3.9755  5.3469    16.414    0.0000    0.0000    5.3469    16.414    ?       ?       9.7321  3.9755  ?              ?        
1 1 1 6   -28 21 o 27.649  3.2354  105.984   23.508    0.0000    0.0000    105.984   23.508    ?       ?       27.649  3.2354  ?              ?        
1 1 1 6   -28 22 o 13.244  3.4566  19.937    15.022    21.515    28.316    19.318    17.722    14.122  5.3872  12.366  4.3324  1.755796       6.913131 
1 1 1 6   -28 23 o 84.824  2.2578  987.406   51.266    1027.39   72.558    947.543   72.445    86.580  3.1288  83.068  3.2560  3.511276       4.515653 
1 1 1 6   -28 24 o 48.362  2.0359  320.850   26.245    331.891   37.385    310.121   36.852    49.197  2.8493  47.527  2.9089  1.669769       4.071848 
1 1 1 6   -28 25 o 32.435  2.2238  145.276   18.993    164.388   27.821    128.595   25.992    34.476  3.0441  30.395  3.2427  4.080957       4.447671 
1 1 1 6   -28 26 o 42.567  2.0571  249.793   23.312    252.813   33.261    246.877   32.682    42.818  2.9176  42.317  2.9009  0.5008965      4.114285 
1 1 1 6   -28 27 o 25.716  2.7128  96.439    17.082    139.400   24.799    57.652    23.563    31.691  2.9555  19.740  4.5498  11.95117       5.425512 
1 1 1 6   -28 28 o 11.407  3.0916  13.404    13.210    17.875    19.809    9.8226    17.729    12.233  4.5401  10.581  4.1975  1.651789       6.183125 
1 1 1 6   -28 29 o 8.7576  2.7358  -3.4498   12.551    -5.8903   19.038    -1.5735   16.693    8.8084  3.9384  8.7068  3.7983  0.1015940      5.471564 
1 1 1 6   -28 30 o 29.391  2.9459  129.649   21.736    149.296   29.075    104.760   32.725    32.425  3.3983  26.357  4.8129  6.068357       5.891702 
1 1 1 6   -28 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -28 32 o 16.990  3.3758  44.277    16.073    54.088    23.949    36.237    21.681    18.614  4.7790  15.365  4.7692  3.249251       6.751578 
1 1 1 6   -28 33 o 20.431  3.2800  65.193    17.538    69.488    25.328    61.238    24.308    21.111  4.6085  19.752  4.6685  1.358980       6.559965 
1 1 1 6   -28 34 o 27.309  2.9216  113.358   20.211    144.874   29.407    85.144    27.824    31.370  3.5630  23.248  4.6311  8.122295       5.843115 
1 1 1 6   -28 35 o 21.181  3.2975  72.602    18.325    57.085    25.621    88.857    26.222    18.495  5.0361  23.866  4.2582  -5.370615      6.595020 
1 1 1 6   -28 36 o 8.9138  2.8414  -6.0340   14.697    -16.7764  21.046    4.1908    20.533    7.9898  3.7697  9.8378  4.2525  -1.847975      5.682759 
1 1 1 6   -28 37 o 17.736  3.5962  55.449    18.518    41.472    26.527    68.737    25.864    15.363  5.3051  20.109  4.8566  -4.746062      7.192379 
1 1 1 6   -28 38 o 9.5086  3.0089  -2.1692   15.930    -11.5442  21.767    8.6418    23.375    8.4227  3.9288  10.595  4.5584  -2.171878      6.017848 
1 1 1 6   -28 39 o 12.277  3.4512  21.888    17.251    13.639    24.195    30.416    24.602    11.164  4.7142  13.389  5.0418  -2.225090      6.902411 
1 1 1 6   -28 40 o 11.257  3.2532  9.6024    17.478    35.243    24.774    -15.8071  24.662    13.970  5.0953  8.5438  4.0459  5.426648       6.506302 
1 1 1 6   -28 41 o 23.678  3.6546  104.526   22.554    95.461    32.137    113.323   31.659    22.229  5.4416  25.128  4.8799  -2.899002      7.309167 
1 1 1 6   -28 42 o 8.8421  4.1264  -6.5124   24.057    -6.5124   24.057    0.0000    0.0000    8.8421  4.1264  ?       ?       ?              ?        
1 1 1 6   -28 43 o 12.915  3.6308  34.321    20.049    50.737    27.519    15.753    29.268    14.941  5.3822  10.888  4.8747  4.053159       7.261546 
1 1 1 6   -27 0  o 37.680  1.9671  193.365   19.710    198.008   28.163    188.909   27.593    38.126  2.7769  37.233  2.7870  0.8931198      3.934284 
1 1 1 6   -27 1  o 35.003  1.9998  167.107   18.583    172.052   26.333    162.201   26.228    35.531  2.7894  34.475  2.8664  1.055233       3.999610 
1 1 1 6   -27 2  o 72.752  2.1231  717.937   41.363    739.784   58.978    696.791   58.025    73.847  2.9817  71.657  3.0232  2.190750       4.246236 
1 1 1 6   -27 3  o 33.545  1.9881  153.558   17.677    149.068   25.344    157.812   24.669    33.046  2.8924  34.043  2.7283  -0.9966736     3.976156 
1 1 1 6   -27 4  o 28.666  2.0515  112.312   15.519    118.929   22.283    106.080   21.627    29.502  2.8557  27.829  2.9462  1.673107       4.103038 
1 1 1 6   -27 5  o 13.897  2.7430  27.343    10.578    24.568    16.272    29.374    13.920    13.387  4.1278  14.407  3.6135  -1.020099      5.486017 
1 1 1 6   -27 6  o 54.030  1.9491  395.834   28.109    394.823   40.066    396.815   39.446    53.956  2.7818  54.104  2.7308  -0.1485100     3.898176 
1 1 1 6   -27 7  o 61.887  1.9963  518.357   33.078    504.985   47.008    531.472   46.554    61.085  2.8731  62.689  2.7725  -1.604027      3.992689 
1 1 1 6   -27 8  o 53.286  1.9847  385.132   28.221    378.302   40.036    391.876   39.787    52.807  2.8410  53.765  2.7722  -0.9579468     3.969444 
1 1 1 6   -27 9  o 21.625  2.4537  65.011    13.681    73.370    19.738    57.283    18.978    23.028  3.2940  20.222  3.6377  2.806536       4.907426 
1 1 1 6   -27 10 o 22.390  2.5013  70.141    14.395    60.461    20.433    79.681    20.284    20.750  3.8171  24.030  3.2335  -3.280231      5.002561 
1 1 1 6   -27 11 o 18.957  2.7157  50.948    13.306    44.479    19.005    57.167    18.636    17.698  4.0910  20.215  3.5726  -2.516516      5.431355 
1 1 1 6   -27 12 o 46.254  1.9631  290.254   24.206    287.506   33.918    293.107   34.556    46.033  2.7637  46.475  2.7888  -0.4423103     3.926251 
1 1 1 6   -27 13 o 90.217  2.2870  1104.58   55.263    1108.61   78.018    1100.51   78.290    90.387  3.2226  90.048  3.2460  0.3391724      4.573966 
1 1 1 6   -27 14 o 14.926  2.8471  29.457    13.003    51.535    18.766    9.0682    18.034    19.116  3.7989  10.736  4.2416  8.380106       5.694119 
1 1 1 6   -27 15 o 22.809  2.6610  71.309    15.543    60.145    20.456    86.556    23.907    20.676  3.8351  24.942  3.6899  -4.265970      5.321951 
1 1 1 6   -27 16 o 37.795  2.7752  194.361   27.897    194.361   27.897    0.0000    0.0000    37.795  2.7752  ?       ?       ?              ?        
1 1 1 6   -27 17 o 16.589  4.1985  39.235    18.672    39.235    18.672    0.0000    0.0000    16.589  4.1985  ?       ?       ?              ?        
1 1 1 6   -27 18 o 61.078  2.7676  505.452   45.277    505.452   45.277    0.0000    0.0000    61.078  2.7676  ?       ?       ?              ?        
1 1 1 6   -27 19 o 39.134  3.8331  211.791   39.662    211.791   39.662    0.0000    0.0000    39.134  3.8331  ?       ?       ?              ?        
1 1 1 6   -27 20 o 41.616  2.8633  236.236   31.722    0.0000    0.0000    236.236   31.722    ?       ?       41.616  2.8633  ?              ?        
1 1 1 6   -27 21 o 43.265  2.8054  255.263   32.334    0.0000    0.0000    255.263   32.334    ?       ?       43.265  2.8054  ?              ?        
1 1 1 6   -27 22 o 67.718  2.8861  623.960   52.348    0.0000    0.0000    623.960   52.348    ?       ?       67.718  2.8861  ?              ?        
1 1 1 6   -27 23 o 58.906  2.6511  494.289   37.767    440.912   67.430    518.688   45.589    56.056  4.5297  61.756  2.7560  -5.700092      5.302253 
1 1 1 6   -27 24 o 21.398  2.7597  64.906    15.130    81.978    22.160    49.997    20.709    24.185  3.5245  18.612  4.2477  5.573099       5.519474 
1 1 1 6   -27 25 o 30.823  2.1730  131.419   17.665    126.806   25.447    135.709   24.542    30.260  3.1875  31.386  2.9541  -1.125475      4.345928 
1 1 1 6   -27 26 o 36.054  2.0934  178.766   19.844    211.551   28.805    149.150   27.378    39.282  2.7552  32.826  3.1525  6.455605       4.186836 
1 1 1 6   -27 27 o 47.071  2.0572  303.794   25.723    339.499   37.364    271.622   35.467    49.741  2.8160  44.401  2.9998  5.339550       4.114474 
1 1 1 6   -27 28 o 20.552  2.8615  60.846    15.147    64.633    22.490    57.702    20.492    21.122  4.1233  19.982  3.9687  1.139950       5.722971 
1 1 1 6   -27 29 o 14.619  2.9903  30.745    13.844    9.4154    20.788    47.744    18.559    11.130  4.5006  18.108  3.9384  -6.978772      5.980543 
1 1 1 6   -27 30 o 52.428  2.1256  381.651   29.687    375.012   42.804    387.804   41.209    51.935  3.0911  52.921  2.9185  -0.9859772     4.251151 
1 1 1 6   -27 31 o 27.702  2.6264  110.896   18.658    89.808    26.282    132.320   26.490    24.792  4.1012  30.612  3.2820  -5.819405      5.252739 
1 1 1 6   -27 32 o 15.958  5.0657  38.528    24.323    38.528    24.323    0.0000    0.0000    15.958  5.0657  ?       ?       ?              ?        
1 1 1 6   -27 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -27 34 o 11.103  3.2213  8.8910    15.586    18.049    22.653    0.6591    21.477    12.309  4.7860  9.8962  4.3130  2.413005       6.442646 
1 1 1 6   -27 35 o 12.875  3.2383  16.078    16.320    45.025    24.016    -8.7579   22.245    16.696  4.9876  9.0537  4.1316  7.642676       6.476629 
1 1 1 6   -27 36 o 22.263  3.3812  81.615    19.631    63.331    28.575    97.958    27.015    19.317  5.3429  25.208  4.1452  -5.890720      6.762343 
1 1 1 6   -27 37 o 16.902  3.5841  48.716    17.511    48.179    25.001    49.234    24.534    16.790  5.1055  17.014  5.0316  -0.2248096     7.168201 
1 1 1 6   -27 38 o 14.346  3.4833  33.688    16.883    47.157    23.972    20.434    23.781    16.488  4.9962  12.204  4.8552  4.283927       6.966691 
1 1 1 6   -27 39 o 19.611  3.5037  69.037    19.947    38.148    28.365    99.257    28.056    14.646  5.4334  24.575  4.4250  -9.929451      7.007334 
1 1 1 6   -27 40 o 15.587  3.3603  40.224    18.828    74.599    26.182    3.4120    27.094    20.698  4.8135  10.476  4.6901  10.22229       6.720673 
1 1 1 6   -27 41 o 17.651  3.9977  62.132    21.450    65.488    29.759    58.503    30.945    18.274  5.5732  17.028  5.7329  1.246170       7.995412 
1 1 1 6   -27 42 o 15.293  3.4670  36.110    20.688    -8.5578   28.564    85.398    30.004    9.5004  4.4538  21.086  5.3144  -11.58568      6.933911 
1 1 1 6   -27 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -27 44 o 9.8937  3.2231  4.9362    19.756    -0.1599   27.239    10.592    28.696    9.4279  4.3967  10.360  4.7140  -0.9316301     6.446181 
1 1 1 6   -26 0  o 62.537  2.0144  529.012   33.730    548.496   48.109    510.174   47.304    63.675  2.8208  61.398  2.8764  2.276920       4.028712 
1 1 1 6   -26 1  o 13.375  2.7160  24.783    10.278    28.526    14.913    21.397    14.186    14.227  3.8289  12.523  3.8530  1.704779       5.431971 
1 1 1 6   -26 2  o 37.600  1.9610  192.059   19.607    189.480   27.873    194.585   27.586    37.343  2.8073  37.858  2.7390  -0.5154800     3.922092 
1 1 1 6   -26 3  o 113.104 2.6213  1738.69   79.388    1800.15   113.126   1679.05   111.437   115.090 3.6697  111.118 3.7442  3.972000       5.242667 
1 1 1 6   -26 4  o 24.985  2.1275  85.630    13.941    83.269    19.860    87.924    19.573    24.627  3.0779  25.343  2.9380  -0.7155647     4.255054 
1 1 1 6   -26 5  o 57.798  1.9813  450.785   30.668    460.748   43.791    441.195   42.963    58.425  2.7983  57.170  2.8056  1.254333       3.962608 
1 1 1 6   -26 6  o 57.445  1.9608  445.164   30.161    460.542   42.964    430.220   42.352    58.428  2.7453  56.463  2.8004  1.964520       3.921610 
1 1 1 6   -26 7  o 31.222  2.0301  132.660   16.785    131.977   23.891    133.326   23.588    31.137  2.8979  31.307  2.8439  -0.1693573     4.060264 
1 1 1 6   -26 8  o 146.445 3.1131  2923.45   122.105   2959.57   173.475   2887.97   171.901   147.345 4.3955  145.544 4.4096  1.801422       6.226148 
1 1 1 6   -26 9  o 52.175  1.9512  367.959   27.161    342.807   38.316    393.362   38.507    50.328  2.8541  54.022  2.6612  -3.693958      3.902321 
1 1 1 6   -26 10 o 48.913  1.9450  323.835   25.359    336.414   35.718    311.049   36.010    49.886  2.6830  47.940  2.8168  1.946392       3.890094 
1 1 1 6   -26 11 o 112.154 2.6020  1705.85   78.127    1647.04   110.536   1764.57   110.441   110.197 3.7450  114.111 3.6134  -3.913460      5.203974 
1 1 1 6   -26 12 o 67.669  2.0410  617.768   36.984    600.067   51.859    636.088   52.760    66.680  2.9037  68.658  2.8690  -1.978416      4.081937 
1 1 1 6   -26 13 o 126.606 2.7614  2177.42   93.644    2173.11   132.361   2181.74   132.503   126.480 3.9070  126.733 3.9035  -0.2525101     5.522864 
1 1 1 6   -26 14 o 26.392  2.3003  95.627    15.908    92.103    22.426    99.196    22.568    25.884  3.3106  26.900  3.1948  -1.015781      4.600678 
1 1 1 6   -26 15 o 38.175  1.9703  197.652   20.001    195.621   27.861    199.812   28.729    37.976  2.7579  38.373  2.8148  -0.3968697     3.940679 
1 1 1 6   -26 16 o 70.388  2.0454  669.761   38.539    685.449   53.985    653.458   55.034    71.243  2.8291  69.534  2.9549  1.708687       4.090861 
1 1 1 6   -26 17 o 112.548 3.1070  1740.41   88.531    1757.25   109.111   1707.97   151.462   113.744 3.5814  111.353 5.0782  2.390709       6.214084 
1 1 1 6   -26 18 o 66.724  2.8027  601.753   50.089    601.753   50.089    0.0000    0.0000    66.724  2.8027  ?       ?       ?              ?        
1 1 1 6   -26 19 o 17.504  3.9673  43.455    18.171    43.455    18.171    0.0000    0.0000    17.504  3.9673  ?       ?       ?              ?        
1 1 1 6   -26 20 o 20.605  3.7576  59.651    19.974    59.651    19.974    0.0000    0.0000    20.605  3.7576  ?       ?       ?              ?        
1 1 1 6   -26 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -26 22 f 23.601  3.4579  77.511    21.211    0.0000    0.0000    77.511    21.211    ?       ?       23.601  3.4579  ?              ?        
1 1 1 6   -26 23 o 14.352  4.3448  28.758    18.135    0.0000    0.0000    28.758    18.135    ?       ?       14.352  4.3448  ?              ?        
1 1 1 6   -26 24 o 49.601  2.7391  335.051   36.250    0.0000    0.0000    335.051   36.250    ?       ?       49.601  2.7391  ?              ?        
1 1 1 6   -26 25 o 9.5518  2.8258  3.0256    12.057    0.3160    18.579    4.9967    15.846    9.5601  4.0873  9.5436  3.9031  0.1648808E-01  5.651589 
1 1 1 6   -26 26 o 54.544  1.9899  405.890   28.956    418.443   41.810    394.318   40.142    55.350  2.8296  53.739  2.7985  1.611877       3.979727 
1 1 1 6   -26 27 o 23.162  2.6329  74.901    15.640    91.508    23.454    61.604    20.988    25.554  3.5201  20.769  3.9164  4.784815       5.265820 
1 1 1 6   -26 28 f 19.781  2.8372  57.122    14.419    49.494    21.577    63.278    19.383    18.422  4.4277  21.141  3.5488  -2.719122      5.674368 
1 1 1 6   -26 29 o 20.136  2.8741  57.965    14.964    76.812    22.234    42.357    20.233    23.257  3.6926  17.014  4.4052  6.242710       5.748123 
1 1 1 6   -26 30 o 11.197  3.0801  12.067    13.333    8.9075    19.134    15.050    18.590    10.761  4.3296  11.632  4.3822  -0.8718042     6.160257 
1 1 1 6   -26 31 f 11.074  3.0239  10.516    13.220    20.995    19.071    0.8214    18.343    12.697  4.4903  9.4500  4.0513  3.247471       6.047792 
1 1 1 6   -26 32 o 18.528  3.1250  51.859    15.654    35.515    22.330    67.650    21.950    15.511  4.8443  21.546  3.9490  -6.034710      6.249987 
1 1 1 6   -26 33 o 44.093  2.2162  272.837   25.983    287.194   37.078    258.985   36.421    45.275  3.0758  42.912  3.1915  2.362621       4.432430 
1 1 1 6   -26 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -26 35 o 33.874  2.6071  168.129   22.468    216.685   32.442    123.369   31.148    39.022  3.1302  28.726  4.1701  10.29662       5.214238 
1 1 1 6   -26 36 o 15.250  3.4800  36.706    16.184    37.242    22.873    36.168    22.902    15.347  4.9167  15.154  4.9262  0.1924963      6.959971 
1 1 1 6   -26 37 o 13.644  3.3633  26.545    16.044    42.716    23.097    11.467    22.303    16.150  4.9065  11.139  4.6014  5.010403       6.726515 
1 1 1 6   -26 38 o 17.906  3.6753  54.644    19.162    71.275    27.913    39.821    26.352    20.483  5.1057  15.330  5.2879  5.153297       7.350512 
1 1 1 6   -26 39 o 10.726  3.2383  8.9699    16.506    12.373    22.229    4.7882    24.642    10.985  4.5703  10.466  4.5890  0.5191231      6.476590 
1 1 1 6   -26 40 o 26.223  3.4528  118.293   23.091    155.600   33.179    83.247    32.157    31.273  4.0565  21.173  5.5885  10.10042       6.905576 
1 1 1 6   -26 41 o 6.1414  2.1812  -50.4587  14.767    -54.0279  18.993    -45.0029  23.482    5.4806  2.7636  6.8022  3.3754  -1.321596      4.362400 
1 1 1 6   -26 42 o 11.491  3.3036  6.9142    19.408    41.339    26.184    -35.0599  28.913    14.790  5.2582  8.1908  4.0008  6.599536       6.607149 
1 1 1 6   -26 43 o 14.755  3.9035  43.963    21.413    30.044    30.030    58.362    30.543    12.934  5.3408  16.576  5.6943  -3.641601      7.806994 
1 1 1 6   -26 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -26 45 o 6.8224  2.4079  -45.9836  18.179    -30.7168  23.336    -69.5491  28.993    7.0404  3.4699  6.6044  3.3394  0.4359841      4.815744 
1 1 1 6   -25 0  o 52.541  1.9639  373.330   27.527    389.823   39.324    357.484   38.545    53.688  2.7438  51.395  2.8107  2.293526       3.927873 
1 1 1 6   -25 1  o 13.817  2.5866  26.295    10.028    36.458    14.544    17.085    13.844    16.109  3.4729  11.524  3.8342  4.585040       5.173175 
1 1 1 6   -25 2  o 76.760  2.1582  795.701   44.347    770.212   62.981    820.766   62.456    75.528  3.1132  77.992  2.9897  -2.463882      4.316321 
1 1 1 6   -25 3  o 77.710  2.1474  814.405   44.685    841.490   63.730    788.212   62.672    78.985  3.0124  76.435  3.0612  2.550194       4.294829 
1 1 1 6   -25 4  o 32.147  1.9275  140.159   16.439    138.624   23.242    141.695   23.254    31.967  2.7410  32.327  2.7107  -0.3591766     3.854986 
1 1 1 6   -25 5  o 38.173  1.9272  197.457   19.528    182.380   27.612    212.544   27.621    36.690  2.8316  39.656  2.6151  -2.965515      3.854419 
1 1 1 6   -25 6  f 102.724 2.9419  1443.01   76.785    1387.82   129.838   1472.70   95.222    100.999 4.7995  104.448 3.4036  -3.448959      5.883850 
1 1 1 6   -25 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 19 o 39.393  2.7164  210.240   28.487    210.240   28.487    0.0000    0.0000    39.393  2.7164  ?       ?       ?              ?        
1 1 1 6   -25 20 o 91.127  3.1845  1123.68   77.727    1123.68   77.727    0.0000    0.0000    91.127  3.1845  ?       ?       ?              ?        
1 1 1 6   -25 21 o 65.287  2.8025  575.885   49.007    575.885   49.007    0.0000    0.0000    65.287  2.8025  ?       ?       ?              ?        
1 1 1 6   -25 22 o 59.302  3.9290  481.960   62.055    481.960   62.055    0.0000    0.0000    59.302  3.9290  ?       ?       ?              ?        
1 1 1 6   -25 23 o 9.6063  3.8774  5.7873    15.398    0.0000    0.0000    5.7873    15.398    ?       ?       9.6063  3.8774  ?              ?        
1 1 1 6   -25 24 o 27.094  3.0725  100.937   21.903    0.0000    0.0000    100.937   21.903    ?       ?       27.094  3.0725  ?              ?        
1 1 1 6   -25 25 o 24.906  3.2115  85.827    20.924    0.0000    0.0000    85.827    20.924    ?       ?       24.906  3.2115  ?              ?        
1 1 1 6   -25 26 o 27.981  3.1436  120.304   19.609    91.031    36.582    132.107   23.228    24.906  5.6176  31.056  2.8232  -6.150726      6.287110 
1 1 1 6   -25 27 o 34.488  2.0930  162.110   18.977    193.203   28.034    135.810   25.783    37.582  2.8051  31.393  3.1070  6.189194       4.185972 
1 1 1 6   -25 28 o 34.806  2.1269  167.481   19.520    154.666   28.316    179.084   26.945    33.463  3.1982  36.150  2.8048  -2.686958      4.253859 
1 1 1 6   -25 29 o 10.273  2.6903  2.3182    12.016    -20.4937  16.876    25.773    17.112    6.9638  3.3120  13.582  4.2405  -6.617910      5.380672 
1 1 1 6   -25 30 o 10.283  2.9407  5.9574    12.716    13.648    18.901    -0.4022   17.188    11.497  4.3977  9.0681  3.9053  2.429271       5.881371 
1 1 1 6   -25 31 o 18.616  3.0607  50.827    14.969    49.231    21.587    52.304    20.774    18.299  4.4478  18.933  4.2058  -0.6347179     6.121393 
1 1 1 6   -25 32 o 30.335  2.4413  129.373   19.448    139.499   28.038    119.984   26.998    31.523  3.3731  29.147  3.5303  2.376072       4.882648 
1 1 1 6   -25 33 f 20.590  3.1005  63.234    16.585    54.869    23.822    71.103    23.104    19.108  4.6895  22.073  4.0572  -2.965605      6.201006 
1 1 1 6   -25 34 o 8.9266  2.6918  -14.2730  13.540    -44.0461  19.066    16.022    19.232    6.1008  3.0297  11.752  4.4501  -5.651492      5.383560 
1 1 1 6   -25 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -25 36 o 7.2837  2.4698  -25.3802  13.844    -32.4689  19.006    -17.3680  20.207    6.6270  3.2384  7.9403  3.7300  -1.313305      4.939621 
1 1 1 6   -25 37 o 37.072  2.5610  202.186   24.991    189.534   36.074    213.861   34.654    35.764  3.8251  38.381  3.4063  -2.616940      5.121956 
1 1 1 6   -25 38 o 11.337  3.2975  12.338    16.210    16.476    22.365    7.7591    23.528    11.808  4.7050  10.866  4.6214  0.9418354      6.594987 
1 1 1 6   -25 39 f 43.345  2.5886  283.553   29.642    258.452   41.989    308.490   41.851    41.165  3.8531  45.525  3.4580  -4.360123      5.177289 
1 1 1 6   -25 40 o 11.535  3.3721  12.640    17.348    0.7694    23.396    27.140    25.857    9.8572  4.3896  13.214  5.1201  -3.356489      6.744136 
1 1 1 6   -25 41 o 14.852  3.7644  39.671    19.358    47.584    26.778    31.010    28.018    16.079  5.3316  13.625  5.3157  2.454170       7.528796 
1 1 1 6   -25 42 f 24.499  3.7937  109.654   24.248    96.707    33.730    123.498   34.881    22.628  5.5964  26.369  5.1233  -3.740440      7.587337 
1 1 1 6   -25 43 o 25.639  3.8314  123.312   25.487    127.845   35.737    118.620   36.359    26.391  5.2403  24.887  5.5909  1.503988       7.662864 
1 1 1 6   -25 44 o 16.135  4.0771  57.172    22.313    59.314    31.356    54.975    31.758    16.460  5.7630  15.810  5.7686  0.6499510      8.154107 
1 1 1 6   -25 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -24 0  o 62.320  1.9981  522.791   33.332    548.920   47.606    497.666   46.683    63.852  2.7836  60.788  2.8672  3.063831       3.996116 
1 1 1 6   -24 1  o 168.369 3.4678  3854.37   156.385   3862.08   222.027   3846.77   220.306   168.529 4.9186  168.210 4.8897  0.3196564      6.935570 
1 1 1 6   -24 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -24 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -24 4  o 55.874  2.2892  409.973   33.037    377.655   41.168    468.430   55.368    52.904  2.9165  58.844  3.5292  -5.939766      4.578336 
1 1 1 6   -24 5  o 9.4254  2.6596  5.4556    10.199    9.4894    14.825    1.8311    14.053    10.178  3.8943  8.6732  3.6233  1.504439       5.319146 
1 1 1 6   -24 6  o 68.333  2.0492  627.864   37.499    645.625   53.312    610.472   52.754    69.292  2.8725  67.374  2.9233  1.917641       4.098385 
1 1 1 6   -24 7  o 61.133  1.9731  502.397   32.306    497.814   45.773    506.946   45.602    60.853  2.8082  61.412  2.7723  -0.5585976     3.946133 
1 1 1 6   -24 8  o 21.838  2.5354  65.841    14.305    67.695    20.706    64.147    19.787    22.133  3.6178  21.543  3.5532  0.5900192      5.070812 
1 1 1 6   -24 9  o 88.341  2.2385  1050.15   52.962    1069.30   74.950    1031.04   74.849    89.149  3.1388  87.533  3.1925  1.616180       4.477037 
1 1 1 6   -24 10 o 57.665  1.9621  447.085   30.297    456.269   42.637    437.719   43.058    58.267  2.7320  57.064  2.8171  1.202991       3.924296 
1 1 1 6   -24 11 o 45.982  1.9421  285.183   23.801    285.168   33.207    285.198   34.132    45.985  2.7080  45.979  2.7846  0.6458282E-02  3.884231 
1 1 1 6   -24 12 o 66.875  2.0078  601.283   35.961    601.378   50.551    601.186   51.169    66.882  2.8218  66.868  2.8570  0.1388550E-01  4.015568 
1 1 1 6   -24 13 o 98.834  2.3426  1315.42   62.009    1323.89   87.331    1306.81   88.062    99.159  3.2881  98.509  3.3375  0.6494904      4.685153 
1 1 1 6   -24 14 o 73.182  2.0505  720.458   40.183    725.237   56.270    715.485   57.400    73.434  2.8608  72.930  2.9384  0.5038300      4.101088 
1 1 1 6   -24 15 o 104.081 2.4090  1459.63   67.150    1425.66   94.391    1494.44   95.547    102.851 3.4264  105.310 3.3873  -2.459335      4.818091 
1 1 1 6   -24 16 o 68.302  2.0159  629.733   36.749    679.999   51.453    577.391   52.504    71.109  2.7014  65.494  2.9930  5.615051       4.031824 
1 1 1 6   -24 17 o 97.950  2.3471  1293.76   61.564    1315.06   86.675    1272.07   87.459    98.772  3.2762  97.128  3.3618  1.644455       4.694172 
1 1 1 6   -24 18 o 138.832 2.9392  2610.46   109.291   2630.85   154.238   2589.89   154.887   139.386 4.1313  138.278 4.1819  1.107849       5.878389 
1 1 1 6   -24 19 o 43.927  2.1624  256.082   24.717    238.029   31.342    285.781   40.200    41.950  2.8056  45.904  3.2914  -3.953957      4.324869 
1 1 1 6   -24 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -24 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -24 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -24 23 o 16.085  4.2041  36.590    18.315    36.590    18.315    0.0000    0.0000    16.085  4.2041  ?       ?       ?              ?        
1 1 1 6   -24 24 f 41.789  4.5306  242.215   49.900    0.0000    0.0000    242.215   49.900    ?       ?       41.789  4.5306  ?              ?        
1 1 1 6   -24 25 o 47.535  2.6923  306.540   34.138    0.0000    0.0000    306.540   34.138    ?       ?       47.535  2.6923  ?              ?        
1 1 1 6   -24 26 o 22.775  3.4654  72.261    20.473    0.0000    0.0000    72.261    20.473    ?       ?       22.775  3.4654  ?              ?        
1 1 1 6   -24 27 o 67.456  2.6553  635.868   43.840    597.969   78.214    653.231   52.938    65.556  4.4812  69.355  2.8497  -3.799088      5.310520 
1 1 1 6   -24 28 o 27.328  2.2973  103.294   16.465    110.064   23.657    96.932    22.931    28.224  3.1850  26.432  3.3117  1.792316       4.594682 
1 1 1 6   -24 29 f 38.974  2.0778  208.110   21.521    214.649   31.003    202.030   29.897    39.565  2.9467  38.383  2.9302  1.182076       4.155582 
1 1 1 6   -24 30 o 26.205  2.5390  96.711    17.246    91.786    25.320    100.974   23.554    25.492  3.8265  26.919  3.3384  -1.426994      5.078079 
1 1 1 6   -24 31 o 32.099  2.2694  143.256   19.192    137.837   27.819    148.177   26.512    31.463  3.3528  32.735  3.0592  -1.272053      4.538707 
1 1 1 6   -24 32 o 20.411  3.0521  63.406    16.333    38.319    23.949    85.220    22.333    16.245  5.0076  24.577  3.4907  -8.332014      6.104199 
1 1 1 6   -24 33 o 14.842  3.2299  30.520    14.993    46.066    21.325    15.323    21.084    17.641  4.4991  12.044  4.6355  5.596322       6.459888 
1 1 1 6   -24 34 o 15.763  3.2734  36.031    15.449    21.462    21.693    51.025    22.007    13.036  4.7659  18.491  4.4886  -5.455342      6.546879 
1 1 1 6   -24 35 o 53.899  2.2710  408.731   32.529    378.169   46.438    438.172   45.579    51.790  3.3659  56.009  3.0497  -4.219307      4.542029 
1 1 1 6   -24 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -24 37 o 24.354  3.2313  91.639    20.218    77.482    28.789    105.417   28.401    22.165  4.9716  26.543  4.1290  -4.377352      6.462644 
1 1 1 6   -24 38 o 33.661  2.7610  169.116   24.337    184.055   34.588    154.467   34.250    35.307  3.7130  32.015  4.0874  3.291969       5.522034 
1 1 1 6   -24 39 o 15.499  3.7065  39.749    18.293    40.631    25.612    38.830    26.137    15.648  5.2155  15.349  5.2679  0.2987022      7.412975 
1 1 1 6   -24 40 o 9.6427  3.0804  -5.4364   17.282    -16.5655  24.590    5.4274    24.295    8.7254  4.1039  10.560  4.5951  -1.834653      6.160883 
1 1 1 6   -24 41 f 14.013  3.7131  32.374    19.114    23.340    26.711    41.853    27.363    12.723  5.1168  15.304  5.3821  -2.581499      7.426224 
1 1 1 6   -24 42 o 17.081  3.6995  53.587    20.031    75.988    28.172    30.684    28.486    20.616  5.1242  13.546  5.3375  7.069616       7.399065 
1 1 1 6   -24 43 o 21.704  3.7535  90.929    23.333    126.479   32.520    53.211    33.497    27.268  4.6173  16.140  5.9191  11.12795       7.506948 
1 1 1 6   -24 44 o 21.062  4.1517  91.495    24.653    107.700   35.398    76.232    34.353    23.316  5.7129  18.807  6.0256  4.508665       8.303329 
1 1 1 6   -24 45 o 9.0239  4.3260  -16.8916  30.026    -16.8916  30.026    0.0000    0.0000    9.0239  4.3260  ?       ?       ?              ?        
1 1 1 6   -24 46 o 18.334  4.3598  87.226    25.393    81.266    35.808    93.255    36.016    17.533  6.1574  19.135  6.1738  -1.601442      8.719535 
1 1 1 6   -23 0  o 171.894 3.4982  4004.15   161.012   4138.98   228.593   3871.39   226.826   174.792 4.8826  168.996 5.0110  5.796173       6.996449 
1 1 1 6   -23 1  o 144.259 3.0469  2810.07   117.724   2852.71   167.325   2768.28   165.661   145.345 4.2981  143.172 4.3199  2.173019       6.093822 
1 1 1 6   -23 2  o 201.998 3.9913  5538.36   215.943   5512.55   306.223   5563.89   304.562   201.516 5.6734  202.480 5.6157  -0.9637146     7.982692 
1 1 1 6   -23 3  o 78.622  2.1420  830.756   45.101    851.559   64.173    810.451   63.400    79.596  3.0100  77.647  3.0484  1.948555       4.284071 
1 1 1 6   -23 4  o 103.535 2.4061  1441.80   66.720    1467.25   94.846    1416.87   93.873    104.441 3.3905  102.629 3.4149  1.812103       4.812184 
1 1 1 6   -23 5  o 114.738 2.6164  1771.81   80.406    1792.72   114.214   1751.26   113.214   115.410 3.6948  114.066 3.7056  1.343994       5.232855 
1 1 1 6   -23 6  o 63.495  1.9604  541.415   33.339    548.943   47.211    533.926   47.087    63.937  2.7568  63.054  2.7880  0.8825111      3.920869 
1 1 1 6   -23 7  o 93.480  2.2847  1174.65   57.201    1161.87   81.091    1187.30   80.700    92.972  3.2564  93.989  3.2056  -1.017036      4.569420 
1 1 1 6   -23 8  o 55.912  1.9432  420.198   29.038    403.468   40.761    437.438   41.377    54.744  2.7891  57.080  2.7064  -2.335903      3.886305 
1 1 1 6   -23 9  o 47.671  1.9222  305.985   24.433    295.253   34.223    317.143   34.894    46.814  2.7413  48.528  2.6952  -1.714504      3.844300 
1 1 1 6   -23 10 o 62.866  1.9748  530.468   33.244    520.274   46.383    541.237   47.673    62.246  2.7820  63.486  2.8035  -1.240269      3.949578 
1 1 1 6   -23 11 o 182.517 3.6250  4502.28   177.214   4530.17   250.578   4474.37   250.658   183.088 5.1097  181.946 5.1434  1.141846       7.250051 
1 1 1 6   -23 12 o 58.417  1.9424  458.382   30.381    463.611   42.534    452.935   43.409    58.760  2.7025  58.075  2.7906  0.6855545      3.884715 
1 1 1 6   -23 13 o 30.965  2.1086  130.437   16.978    103.347   23.541    159.801   24.510    27.536  3.2548  34.394  2.6818  -6.857944      4.217287 
1 1 1 6   -23 14 o 85.618  2.1677  985.283   49.703    986.614   69.655    983.903   70.943    85.680  3.0352  85.556  3.0958  0.1238632      4.335456 
1 1 1 6   -23 15 o 195.141 3.8405  5160.74   200.727   5212.32   283.607   5108.96   284.136   196.132 5.3986  194.150 5.4639  1.981857       7.681061 
1 1 1 6   -23 16 o 58.959  1.9270  466.742   30.391    434.240   42.431    500.982   43.551    56.848  2.7866  61.069  2.6625  -4.221443      3.854091 
1 1 1 6   -23 17 o 51.159  1.8661  352.315   25.507    361.586   35.824    342.780   36.326    51.882  2.5779  50.436  2.6988  1.445881       3.732199 
1 1 1 6   -23 18 o 45.744  1.9099  282.285   23.290    287.952   32.824    276.540   33.051    46.212  2.6632  45.275  2.7383  0.9369888      3.819775 
1 1 1 6   -23 19 o 125.335 2.7276  2120.70   91.560    2087.45   129.332   2154.10   129.640   124.343 3.8833  126.326 3.8314  -1.983116      5.455206 
1 1 1 6   -23 20 o 24.023  2.4780  80.653    15.096    61.163    21.360    100.107   21.340    20.938  3.9534  27.107  2.9888  -6.168653      4.956072 
1 1 1 6   -23 21 o 78.638  2.4562  827.140   49.943    806.507   62.552    863.419   82.947    77.372  3.0183  79.903  3.8757  -2.530212      4.912356 
1 1 1 6   -23 22 o 49.929  2.7782  336.766   37.007    336.766   37.007    0.0000    0.0000    49.929  2.7782  ?       ?       ?              ?        
1 1 1 6   -23 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -23 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -23 25 o 47.933  4.3648  316.401   55.425    0.0000    0.0000    316.401   55.425    ?       ?       47.933  4.3648  ?              ?        
1 1 1 6   -23 26 o 15.562  4.2103  34.250    17.975    0.0000    0.0000    34.250    17.975    ?       ?       15.562  4.2103  ?              ?        
1 1 1 6   -23 27 o 9.2881  3.8856  2.4406    16.193    0.0000    0.0000    2.4406    16.193    ?       ?       9.2881  3.8856  ?              ?        
1 1 1 6   -23 28 o 15.362  3.4146  35.264    15.904    3.4535    34.449    43.881    17.929    13.171  5.5967  17.553  3.9134  -4.381501      6.829187 
1 1 1 6   -23 29 o 16.684  3.0267  40.579    13.831    30.025    20.406    49.548    18.811    14.721  4.6363  18.647  3.8920  -3.926088      6.053388 
1 1 1 6   -23 30 o 17.985  2.9927  46.899    14.223    40.489    20.496    52.853    19.753    16.746  4.4813  19.224  3.9677  -2.477732      5.985328 
1 1 1 6   -23 31 o 22.603  2.7801  72.440    16.188    80.525    23.587    65.240    22.258    23.853  3.8207  21.354  4.0396  2.499557       5.560202 
1 1 1 6   -23 32 o 48.132  2.1718  321.891   27.550    277.760   39.697    362.896   38.266    44.792  3.3326  51.472  2.7859  -6.680019      4.343662 
1 1 1 6   -23 33 o 12.036  3.0324  12.358    14.046    33.380    20.197    -7.3308   19.546    15.209  4.5809  8.8626  3.9746  6.346181       6.064795 
1 1 1 6   -23 34 o 21.267  3.1047  66.443    17.098    64.172    24.319    68.663    24.043    20.863  4.4854  21.671  4.2941  -0.8080540     6.209471 
1 1 1 6   -23 35 o 21.211  3.2147  66.962    17.714    69.743    25.395    64.327    24.720    21.659  4.5235  20.763  4.5690  0.8955040      6.429457 
1 1 1 6   -23 36 o 15.744  3.2397  33.302    16.893    63.736    24.288    4.7840    23.511    20.567  4.5312  10.922  4.6314  9.645323       6.479310 
1 1 1 6   -23 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -23 38 o 27.427  3.0400  113.708   21.588    109.797   30.477    117.648   30.584    26.886  4.3832  27.967  4.2135  -1.081470      6.079937 
1 1 1 6   -23 39 o 29.339  3.0184  131.712   23.014    132.715   33.063    130.770   32.053    29.399  4.3283  29.279  4.2082  0.1203442      6.036783 
1 1 1 6   -23 40 o 14.250  3.1242  22.895    17.526    64.223    24.687    -19.0957  24.884    19.820  4.7182  8.6799  4.0964  11.14022       6.248302 
1 1 1 6   -23 41 o 29.038  3.3333  138.229   25.017    131.577   35.131    145.072   35.635    28.198  4.8249  29.878  4.6004  -1.680199      6.666605 
1 1 1 6   -23 42 o 14.445  3.5951  34.007    19.223    56.002    26.601    9.9672    27.811    17.595  5.2476  11.294  4.9155  6.300829       7.190233 
1 1 1 6   -23 43 o 10.564  3.3266  2.1328    19.206    -9.7777   25.990    16.460    28.506    9.2560  4.3093  11.872  5.0689  -2.616062      6.653135 
1 1 1 6   -23 44 o 11.339  3.4796  12.760    19.941    20.763    26.593    2.4772    30.142    12.035  5.0023  10.642  4.8382  1.393133       6.959211 
1 1 1 6   -23 45 o 12.496  3.7392  25.962    21.644    28.579    29.778    23.030    31.516    12.748  5.2955  12.244  5.2806  0.5039816      7.478431 
1 1 1 6   -23 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -22 0  f 159.735 3.2854  3442.73   140.538   3535.39   199.553   3351.54   197.957   161.879 4.6023  157.592 4.6897  4.287277       6.570790 
1 1 1 6   -22 1  o 59.918  1.9441  481.806   31.194    495.442   44.578    468.722   43.667    60.749  2.7396  59.087  2.7591  1.661900       3.888231 
1 1 1 6   -22 2  o 127.115 2.7603  2174.85   93.945    2119.67   133.453   2229.06   132.271   125.506 3.9699  128.724 3.8363  -3.218033      5.520612 
1 1 1 6   -22 3  o 62.045  1.9778  516.683   32.866    520.871   46.740    512.587   46.224    62.293  2.8013  61.796  2.7926  0.4968910      3.955502 
1 1 1 6   -22 4  o 217.636 4.2635  6408.07   248.525   6494.05   352.379   6322.97   350.564   219.098 6.0046  216.174 6.0544  2.923172       8.527094 
1 1 1 6   -22 5  o 46.391  1.8909  290.013   23.362    307.377   33.029    272.628   33.049    47.794  2.5898  44.988  2.7560  2.806198       3.781825 
1 1 1 6   -22 6  o 87.643  2.2120  1031.34   51.923    1049.57   73.748    1013.43   73.117    88.411  3.1142  86.874  3.1422  1.537292       4.424043 
1 1 1 6   -22 7  f 38.819  1.9101  203.077   19.723    193.126   27.583    213.488   28.212    37.838  2.7402  39.800  2.6618  -1.961903      3.820143 
1 1 1 6   -22 8  o 104.711 2.4200  1473.10   67.863    1445.34   95.937    1500.89   96.008    103.720 3.4533  105.701 3.3911  -1.980186      4.839921 
1 1 1 6   -22 9  o 33.095  1.9746  147.856   17.325    139.785   24.079    156.520   24.947    32.150  2.8248  34.040  2.7598  -1.890717      3.949222 
1 1 1 6   -22 10 o 209.850 4.0469  5950.22   227.461   6007.81   321.718   5892.65   321.639   210.874 5.6959  208.825 5.7504  2.048340       8.093843 
1 1 1 6   -22 11 o 100.198 2.3423  1348.33   62.841    1298.88   88.202    1399.32   89.555    98.329  3.3489  102.067 3.2758  -3.737877      4.684664 
1 1 1 6   -22 12 o 74.403  2.0415  742.863   40.672    732.989   56.690    753.336   58.385    73.895  2.8642  74.911  2.9098  -1.015831      4.082968 
1 1 1 6   -22 13 o 97.813  2.2929  1284.84   60.064    1256.81   84.147    1313.95   85.761    96.726  3.2480  98.901  3.2374  -2.175369      4.585881 
1 1 1 6   -22 14 o 160.293 3.2423  3462.74   139.199   3420.83   196.330   3505.09   197.388   159.315 4.6009  161.272 4.5695  -1.957199      6.484512 
1 1 1 6   -22 15 o 92.535  2.2183  1149.97   54.936    1086.70   76.951    1215.74   78.453    89.935  3.1944  95.136  3.0788  -5.200684      4.436585 
1 1 1 6   -22 16 o 102.065 2.3475  1399.90   64.167    1367.94   90.057    1432.86   91.450    100.880 3.3329  103.249 3.3068  -2.369316      4.695003 
1 1 1 6   -22 17 o 133.802 2.8399  2411.18   101.776   2386.45   143.505   2436.20   144.365   133.110 4.0250  134.493 4.0075  -1.383743      5.679860 
1 1 1 6   -22 18 o 75.147  2.0282  758.628   40.819    758.329   57.316    758.936   58.145    75.133  2.8481  75.160  2.8883  -0.2678680E-01 4.056345 
1 1 1 6   -22 19 o 147.262 3.0752  2927.40   121.274   2857.31   171.412   2997.65   171.604   145.484 4.3988  149.041 4.2987  -3.556824      6.150463 
1 1 1 6   -22 20 o 62.443  1.9448  524.005   32.526    524.495   46.142    523.521   45.857    62.472  2.7575  62.415  2.7430  0.5690765E-01  3.889506 
1 1 1 6   -22 21 o 49.991  1.9138  336.922   25.516    336.888   36.702    336.954   35.498    49.983  2.7521  49.999  2.6602  -0.1610184E-01 3.827632 
1 1 1 6   -22 22 o 108.378 2.9865  1603.50   82.614    1638.63   102.997   1540.13   138.339   110.231 3.4884  106.524 4.8485  3.706917       5.973037 
1 1 1 6   -22 23 o 109.787 3.5682  1627.49   104.928   1627.49   104.928   0.0000    0.0000    109.787 3.5682  ?       ?       ?              ?        
1 1 1 6   -22 24 o 59.006  2.8549  469.078   45.120    469.078   45.120    0.0000    0.0000    59.006  2.8549  ?       ?       ?              ?        
1 1 1 6   -22 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -22 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -22 27 o 52.432  2.7872  372.490   39.002    0.0000    0.0000    372.490   39.002    ?       ?       52.432  2.7872  ?              ?        
1 1 1 6   -22 28 f 31.292  3.0982  134.086   25.627    0.0000    0.0000    134.086   25.627    ?       ?       31.292  3.0982  ?              ?        
1 1 1 6   -22 29 o 46.463  2.0749  295.698   25.543    269.176   36.853    320.220   35.436    44.388  3.1195  48.538  2.7368  -4.149632      4.149835 
1 1 1 6   -22 30 o 47.688  2.0775  310.311   26.394    314.776   38.019    306.158   36.671    48.009  2.9711  47.366  2.9045  0.6437988      4.154966 
1 1 1 6   -22 31 o 33.824  2.3060  157.423   20.412    187.979   29.814    130.465   28.004    36.997  3.0354  30.651  3.4724  6.346046       4.612019 
1 1 1 6   -22 32 o 20.962  2.9184  63.090    15.800    61.725    22.473    64.425    22.220    20.712  4.1947  21.212  4.0587  -0.4999790     5.836840 
1 1 1 6   -22 33 o 31.230  2.4813  137.209   20.214    123.566   29.311    149.581   27.913    29.621  3.7807  32.840  3.2145  -3.219402      4.962523 
1 1 1 6   -22 34 o 39.054  2.3400  211.715   24.218    225.358   35.107    199.328   33.452    40.270  3.2833  37.837  3.3349  2.433563       4.679899 
1 1 1 6   -22 35 o 39.535  2.3123  217.976   24.240    231.488   34.731    205.143   33.847    40.766  3.2067  38.304  3.3323  2.462425       4.624569 
1 1 1 6   -22 36 o 36.818  2.4671  191.294   23.992    195.760   35.195    187.418   32.791    37.172  3.5792  36.463  3.3965  0.7084656      4.934236 
1 1 1 6   -22 37 o 9.3157  2.9039  -3.7568   14.207    -9.3201   19.510    2.5231    20.729    8.5391  3.8861  10.092  4.3161  -1.553187      5.807848 
1 1 1 6   -22 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -22 39 o 12.289  3.3718  16.630    16.574    28.646    23.109    3.9032    23.783    13.933  4.9412  10.646  4.5891  3.287271       6.743595 
1 1 1 6   -22 40 o 9.2634  2.9970  -10.2627  16.852    -18.7227  23.601    -1.4630   24.070    8.5044  4.0062  10.022  4.4585  -1.517960      5.993973 
1 1 1 6   -22 41 o 32.041  2.9073  158.827   24.331    171.166   35.434    147.817   33.469    33.278  4.0594  30.804  4.1631  2.473963       5.814610 
1 1 1 6   -22 42 o 10.339  3.1426  3.1734    16.552    -13.1860  23.507    19.260    23.310    8.6950  4.0648  11.984  4.7939  -3.288799      6.285268 
1 1 1 6   -22 43 o 12.114  3.3837  15.989    18.271    39.302    25.227    -9.7346   26.499    14.835  5.1706  9.3937  4.3660  5.441261       6.767318 
1 1 1 6   -22 44 o 13.035  3.4373  21.672    19.319    52.635    26.543    -13.2087  28.172    16.736  5.2896  9.3342  4.3910  7.402150       6.874634 
1 1 1 6   -22 45 o 14.284  3.8315  38.293    21.180    54.894    29.768    21.273    30.141    16.385  5.6220  12.182  5.2071  4.202710       7.662945 
1 1 1 6   -22 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -22 47 o 19.065  3.2420  84.795    18.917    37.293    34.041    106.020   22.754    12.768  5.4972  25.362  3.4382  -12.59439      6.483902 
1 1 1 6   -21 0  o 21.678  2.2143  64.732    12.389    72.783    17.437    56.522    17.607    23.110  2.8794  20.246  3.3649  2.863626       4.428690 
1 1 1 6   -21 1  o 66.510  1.9859  593.584   35.373    594.037   50.466    593.146   49.594    66.534  2.8318  66.487  2.7849  0.4771423E-01  3.971767 
1 1 1 6   -21 2  o 222.440 4.3353  6686.22   258.287   6764.09   366.153   6609.08   364.400   223.736 6.1099  221.144 6.1520  2.592041       8.670519 
1 1 1 6   -21 3  o 72.144  2.0354  698.396   39.329    699.352   55.980    697.464   55.267    72.192  2.8950  72.096  2.8620  0.9590149E-01  4.070886 
1 1 1 6   -21 4  o 74.190  2.0561  738.918   40.838    715.148   57.943    762.379   57.565    73.001  2.9633  75.379  2.8512  -2.377754      4.112250 
1 1 1 6   -21 5  o 169.988 3.4662  3891.28   157.817   3879.01   223.775   3903.43   222.604   169.717 4.9226  170.258 4.8813  -0.5411682     6.932479 
1 1 1 6   -21 6  o 114.762 2.5857  1769.23   79.481    1771.37   112.747   1767.12   112.063   114.830 3.6657  114.694 3.6478  0.1360855      5.171439 
1 1 1 6   -21 7  o 91.996  2.2109  1136.01   54.473    1154.73   77.137    1117.38   76.936    92.753  3.1049  91.238  3.1482  1.515320       4.421725 
1 1 1 6   -21 8  o 110.513 2.5008  1640.38   74.025    1649.06   104.652   1631.68   104.721   110.806 3.5261  110.219 3.5472  0.5873566      5.001625 
1 1 1 6   -21 9  o 82.463  2.1294  912.760   47.025    922.455   66.156    902.859   66.857    82.907  2.9791  82.018  3.0433  0.8890305      4.258750 
1 1 1 6   -21 10 o 123.557 2.6491  2051.29   87.669    2031.58   123.672   2071.20   124.296   122.960 3.7551  124.155 3.7377  -1.194885      5.298197 
1 1 1 6   -21 11 o 93.051  2.2361  1162.72   55.713    1183.18   78.289    1141.73   79.302    93.884  3.1133  92.218  3.2106  1.665886       4.472186 
1 1 1 6   -21 12 o 158.978 3.2027  3401.84   136.378   3399.75   192.475   3403.94   193.262   158.930 4.5215  159.025 4.5372  -0.9504700E-01 6.405467 
1 1 1 6   -21 13 f 210.210 4.0702  5967.09   229.166   5919.01   323.686   6015.41   324.496   209.356 5.7723  211.064 5.7399  -1.707733      8.140406 
1 1 1 6   -21 14 f 79.933  2.0587  857.461   44.074    847.677   61.935    867.498   62.732    79.471  2.9096  80.395  2.9132  -0.9235764     4.117357 
1 1 1 6   -21 15 o 14.540  3.0697  28.747    12.868    29.609    18.343    27.912    18.056    14.726  4.3495  14.354  4.3330  0.3716383      6.139441 
1 1 1 6   -21 16 o 30.395  2.0557  125.155   16.527    121.831   23.336    128.500   23.410    29.982  2.9439  30.808  2.8699  -0.8258362     4.111327 
1 1 1 6   -21 17 o 71.026  1.9720  677.148   37.517    675.669   53.048    678.629   53.066    70.949  2.7915  71.104  2.7863  -0.1555099     3.944094 
1 1 1 6   -21 18 o 37.212  1.9327  186.885   19.124    186.193   27.334    187.549   26.766    37.140  2.7675  37.283  2.6985  -0.1429634     3.865372 
1 1 1 6   -21 19 o 79.426  2.0600  847.268   43.822    844.981   62.263    849.514   61.689    79.318  2.9307  79.534  2.8958  -0.2151489     4.120023 
1 1 1 6   -21 20 o 77.684  2.0611  810.647   42.884    815.567   61.058    805.858   60.246    77.916  2.9257  77.453  2.9040  0.4633865      4.122236 
1 1 1 6   -21 21 o 40.389  1.9728  221.253   21.094    199.569   30.233    241.822   29.446    38.422  2.9606  42.356  2.6082  -3.933483      3.945581 
1 1 1 6   -21 22 o 117.856 2.6242  1871.47   82.825    1921.03   117.938   1823.25   116.342   119.400 3.6878  116.312 3.7344  3.087502       5.248359 
1 1 1 6   -21 23 o 81.447  2.5199  886.602   53.108    865.456   66.602    923.523   88.008    80.189  3.1009  82.704  3.9729  -2.515228      5.039740 
1 1 1 6   -21 24 o 72.134  3.0139  700.593   58.231    700.593   58.231    0.0000    0.0000    72.134  3.0139  ?       ?       ?              ?        
1 1 1 6   -21 25 o 167.338 4.8706  3810.82   218.306   3810.82   218.306   0.0000    0.0000    167.338 4.8706  ?       ?       ?              ?        
1 1 1 6   -21 26 o 42.623  3.0135  246.259   34.183    246.259   34.183    0.0000    0.0000    42.623  3.0135  ?       ?       ?              ?        
1 1 1 6   -21 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -21 28 o 109.381 3.7036  1626.69   108.507   0.0000    0.0000    1626.69   108.507   ?       ?       109.381 3.7036  ?              ?        
1 1 1 6   -21 29 o 53.566  2.8771  389.553   41.128    0.0000    0.0000    389.553   41.128    ?       ?       53.566  2.8771  ?              ?        
1 1 1 6   -21 30 o 13.053  3.1730  21.432    13.508    26.000    19.315    17.059    18.899    13.905  4.5241  12.201  4.4503  1.703904       6.346074 
1 1 1 6   -21 31 o 31.417  2.2779  135.867   18.874    138.829   27.476    133.220   25.972    31.728  3.2805  31.107  3.1612  0.6218071      4.555707 
1 1 1 6   -21 32 o 59.834  2.1455  489.625   34.286    480.132   49.283    498.530   47.729    59.200  3.1190  60.467  2.9470  -1.266129      4.291008 
1 1 1 6   -21 33 o 64.163  2.1858  564.829   37.468    544.880   53.393    584.184   52.590    62.969  3.1759  65.357  3.0042  -2.387447      4.371671 
1 1 1 6   -21 34 o 23.427  2.8532  78.945    17.177    70.081    24.587    87.396    24.007    22.002  4.3263  24.852  3.7209  -2.850842      5.706323 
1 1 1 6   -21 35 o 23.800  3.0798  83.328    18.719    103.824   26.450    62.763    26.494    27.053  3.7511  20.546  4.8858  6.507458       6.159691 
1 1 1 6   -21 36 o 41.270  2.3991  239.050   26.221    224.375   37.397    253.241   36.774    39.939  3.5323  42.601  3.2473  -2.661968      4.798110 
1 1 1 6   -21 37 o 53.286  2.3371  398.347   33.116    433.636   47.429    364.779   46.258    55.676  3.1938  50.897  3.4130  4.779530       4.674248 
1 1 1 6   -21 38 o 13.217  5.0094  21.746    24.386    21.746    24.386    0.0000    0.0000    13.217  5.0094  ?       ?       ?              ?        
1 1 1 6   -21 39 o 14.330  3.2296  25.296    17.002    55.565    23.785    -6.3313   24.313    18.863  4.7194  9.7975  4.4101  9.065401       6.459228 
1 1 1 6   -21 40 o 24.393  3.3426  93.898    21.017    81.134    29.617    106.845   29.829    22.423  5.0524  26.363  4.3777  -3.940769      6.685177 
1 1 1 6   -21 41 o 19.834  3.5641  65.915    19.397    49.372    27.331    82.702    27.532    17.013  5.3665  22.655  4.6917  -5.642025      7.128205 
1 1 1 6   -21 42 o 11.922  3.4989  15.917    18.296    14.833    24.751    17.223    27.167    11.656  4.8337  12.188  5.0600  -0.5321636     6.997757 
1 1 1 6   -21 43 o 24.996  3.6983  109.668   23.931    114.023   32.952    104.807   34.813    25.878  4.9341  24.114  5.5104  1.764492       7.396564 
1 1 1 6   -21 44 o 9.5477  2.9817  -14.3303  17.823    22.121    23.952    -59.5553  26.679    12.211  4.8679  6.8844  3.4445  5.326421       5.963351 
1 1 1 6   -21 45 o 18.083  3.4830  62.333    17.328    50.394    31.265    67.626    20.818    15.810  5.7305  20.356  3.9607  -4.546212      6.966043 
1 1 1 6   -21 46 o 16.852  3.6571  51.242    16.854    70.456    31.260    43.368    20.012    18.245  5.7371  15.458  4.5367  2.787670       7.314116 
1 1 1 6   -21 47 o 18.731  4.3365  63.649    21.328    0.0000    0.0000    63.649    21.328    ?       ?       18.731  4.3365  ?              ?        
1 1 1 6   -20 0  o 86.803  2.2115  1011.16   51.414    1017.37   73.167    1005.12   72.262    87.066  3.1375  86.541  3.1174  0.5246506      4.422920 
1 1 1 6   -20 1  o 60.617  1.9337  492.786   31.393    498.671   44.815    487.117   43.989    60.972  2.7441  60.262  2.7253  0.7098541      3.867480 
1 1 1 6   -20 2  o 117.178 2.6285  1844.84   82.471    1805.79   117.210   1883.13   116.062   115.945 3.7742  118.412 3.6593  -2.467583      5.256927 
1 1 1 6   -20 3  o 87.746  2.2335  1033.14   52.485    1058.61   74.707    1008.31   73.752    88.815  3.1404  86.677  3.1767  2.137901       4.466941 
1 1 1 6   -20 4  o 130.837 2.8368  2301.25   99.374    2233.00   140.923   2368.75   140.151   128.899 4.0817  132.775 3.9408  -3.876266      5.673696 
1 1 1 6   -20 5  o 122.028 2.6828  2000.31   87.684    2005.36   124.411   1995.33   123.602   122.180 3.8016  121.876 3.7863  0.3041992      5.365510 
1 1 1 6   -20 6  o 173.285 3.4980  4042.56   162.356   4030.37   229.956   4054.69   229.257   173.022 4.9620  173.548 4.9319  -0.5267334     6.996058 
1 1 1 6   -20 7  o 157.876 3.2519  3353.44   137.490   3426.76   194.750   3280.58   194.133   159.603 4.5556  156.149 4.6417  3.454529       6.503729 
1 1 1 6   -20 8  f 148.009 3.0640  2946.34   121.431   2858.84   171.585   3034.13   171.874   145.799 4.3938  150.219 4.2716  -4.420593      6.127962 
1 1 1 6   -20 9  o 148.470 3.0619  2965.11   121.696   2844.41   171.786   3086.72   172.423   145.425 4.4102  151.516 4.2486  -6.090836      6.123819 
1 1 1 6   -20 10 o 277.057 5.3034  10409.57  393.547   10507.31  556.398   10311.72  556.722   278.376 7.4622  275.738 7.5379  2.637726       10.60680 
1 1 1 6   -20 11 o 72.608  1.9931  706.806   38.739    673.978   54.070    741.430   55.530    70.875  2.8482  74.340  2.7888  -3.464897      3.986200 
1 1 1 6   -20 12 o 78.546  2.0492  827.744   43.108    819.893   60.478    835.854   61.463    78.168  2.8885  78.925  2.9074  -0.7562103     4.098384 
1 1 1 6   -20 13 o 93.441  2.2197  1171.70   55.543    1139.05   77.895    1205.47   79.220    92.116  3.1571  94.766  3.1210  -2.650238      4.439361 
1 1 1 6   -20 14 o 108.973 2.4263  1594.93   70.815    1603.70   99.780    1586.04   100.518   109.277 3.4090  108.669 3.4534  0.6073456      4.852563 
1 1 1 6   -20 15 f 57.966  1.8949  450.699   29.417    444.840   41.219    456.781   41.997    57.583  2.6725  58.350  2.6871  -0.7671547     3.789805 
1 1 1 6   -20 16 o 171.933 3.4494  3982.82   158.843   4022.19   224.438   3943.31   224.839   172.790 4.8494  171.076 4.9068  1.714859       6.898765 
1 1 1 6   -20 17 o 65.966  1.9403  583.953   34.263    610.564   48.701    557.872   48.213    67.457  2.6954  64.476  2.7918  2.980888       3.880610 
1 1 1 6   -20 18 o 134.784 2.8485  2443.88   102.826   2411.32   145.574   2476.29   145.262   133.884 4.0594  135.685 3.9970  -1.800888      5.696914 
1 1 1 6   -20 19 o 56.251  1.8765  424.612   28.270    433.786   40.102    415.549   39.858    56.856  2.6333  55.646  2.6742  1.209721       3.753051 
1 1 1 6   -20 20 o 46.309  1.9087  289.700   23.495    272.300   33.884    305.812   32.606    44.948  2.8289  47.669  2.5631  -2.721043      3.817402 
1 1 1 6   -20 21 o 10.643  2.9717  8.2816    12.514    9.9268    18.060    6.7623    17.356    10.973  4.2715  10.312  4.1325  0.6612091      5.943329 
1 1 1 6   -20 22 o 55.746  1.9589  419.493   29.076    390.951   41.970    445.834   40.319    53.867  2.9198  57.625  2.6122  -3.758537      3.917782 
1 1 1 6   -20 23 o 31.741  2.2097  137.155   18.477    130.575   26.794    143.121   25.514    30.985  3.2783  32.498  2.9638  -1.513029      4.419389 
1 1 1 6   -20 24 o 46.852  2.0097  296.133   25.065    297.299   36.482    295.090   34.495    46.930  2.9167  46.774  2.7657  0.1569099      4.019455 
1 1 1 6   -20 25 o 44.751  2.9523  270.662   35.188    270.662   35.188    0.0000    0.0000    44.751  2.9523  ?       ?       ?              ?        
1 1 1 6   -20 26 o 46.659  2.9724  294.401   36.954    294.401   36.954    0.0000    0.0000    46.659  2.9724  ?       ?       ?              ?        
1 1 1 6   -20 27 f 62.280  4.1207  528.465   68.353    528.465   68.353    0.0000    0.0000    62.280  4.1207  ?       ?       ?              ?        
1 1 1 6   -20 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -20 29 o 40.953  2.9805  227.976   32.470    0.0000    0.0000    227.976   32.470    ?       ?       40.953  2.9805  ?              ?        
1 1 1 6   -20 30 o 20.298  3.9985  58.205    20.966    0.0000    0.0000    58.205    20.966    ?       ?       20.298  3.9985  ?              ?        
1 1 1 6   -20 31 o 53.097  2.1151  385.017   29.861    369.433   43.431    398.989   41.122    52.029  3.1311  54.164  2.8445  -2.134937      4.230195 
1 1 1 6   -20 32 o 20.916  2.9828  62.422    16.128    66.558    23.245    58.583    22.396    21.611  4.1668  20.220  4.2691  1.390657       5.965510 
1 1 1 6   -20 33 o 9.9661  2.7148  1.9437    11.759    -15.5783  16.169    21.614    17.132    7.1735  3.3591  12.759  4.2657  -5.585173      5.429586 
1 1 1 6   -20 34 o 35.046  2.3659  170.482   21.904    160.880   31.019    180.030   30.934    34.014  3.4526  36.078  3.2355  -2.063580      4.731724 
1 1 1 6   -20 35 o 84.650  2.4171  990.641   54.778    1024.16   77.429    957.054   77.506    86.131  3.3563  83.169  3.4792  2.962418       4.834215 
1 1 1 6   -20 36 o 9.8839  2.9677  1.6206    13.700    -2.3894   18.608    6.3665    20.244    9.1485  4.0002  10.619  4.3850  -1.470828      5.935448 
1 1 1 6   -20 37 o 41.245  2.3669  238.511   25.905    250.022   36.938    227.369   36.341    42.262  3.2891  40.229  3.4045  2.032661       4.733793 
1 1 1 6   -20 38 o 39.816  2.5214  225.927   26.508    245.358   37.475    206.470   37.501    41.655  3.3882  37.977  3.7350  3.678459       5.042784 
1 1 1 6   -20 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -20 40 o 23.399  3.4475  86.454    20.889    91.907    28.962    80.540    30.158    24.377  4.6044  22.422  5.1324  1.955374       6.895060 
1 1 1 6   -20 41 o 10.672  3.2564  3.8903    17.295    12.257    23.529    -5.9436   25.509    11.452  4.7281  9.8920  4.4789  1.560380       6.512728 
1 1 1 6   -20 42 o 34.189  3.0114  182.757   26.950    190.226   38.109    175.286   38.118    35.019  4.1432  33.358  4.3713  1.660633       6.022839 
1 1 1 6   -20 43 o 26.501  3.3978  117.246   23.195    125.597   32.726    108.815   32.881    27.719  4.5668  25.283  5.0324  2.435879       6.795624 
1 1 1 6   -20 44 o 9.8975  2.9020  9.6086    12.639    -4.7748   23.956    15.157    14.879    9.3606  4.2778  10.434  3.9224  -1.073835      5.803929 
1 1 1 6   -20 45 o 24.529  3.0824  93.900    18.546    121.622   32.909    80.998    22.451    26.559  4.8030  22.499  3.8647  4.059542       6.164739 
1 1 1 6   -20 46 o 11.163  3.3079  15.746    15.269    19.988    29.377    14.175    17.873    11.974  5.1300  10.352  4.1777  1.621813       6.615867 
1 1 1 6   -20 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -19 0  o 109.084 2.5504  1597.66   74.514    1618.16   105.872   1577.55   104.892   109.778 3.6006  108.391 3.6129  1.387169       5.100754 
1 1 1 6   -19 1  o 62.743  1.9303  528.088   32.434    522.911   46.165    533.135   45.579    62.439  2.7604  63.048  2.6990  -0.6095772     3.860621 
1 1 1 6   -19 2  o 180.823 3.6138  4405.88   174.807   4162.11   247.652   4647.94   246.780   175.806 5.2592  185.840 4.9577  -10.03424      7.227590 
1 1 1 6   -19 3  o 62.155  1.9464  519.112   32.323    478.133   45.795    559.796   45.629    59.702  2.8637  64.608  2.6367  -4.905602      3.892744 
1 1 1 6   -19 4  o 192.402 3.8498  4990.33   198.207   4746.43   280.638   5233.07   279.976   187.679 5.5827  197.125 5.3026  -9.445770      7.699601 
1 1 1 6   -19 5  o 52.689  1.8178  372.283   25.654    370.406   36.294    374.157   36.266    52.556  2.5783  52.822  2.5633  -0.2658768     3.635647 
1 1 1 6   -19 6  o 91.088  2.2001  1113.45   53.670    1092.16   75.963    1134.68   75.840    90.217  3.1436  91.960  3.0790  -1.742798      4.400277 
1 1 1 6   -19 7  o 85.501  2.1489  981.196   49.184    1020.59   69.597    941.894   69.517    87.219  2.9791  83.783  3.0977  3.436089       4.297824 
1 1 1 6   -19 8  o 21.084  2.0616  60.968    11.282    65.812    15.799    55.926    16.117    21.981  2.7430  20.186  3.0783  1.795025       4.123127 
1 1 1 6   -19 9  o 139.099 2.8875  2600.10   107.579   2615.16   151.946   2584.96   152.333   139.505 4.0664  138.693 4.1006  0.8118286      5.775023 
1 1 1 6   -19 10 o 114.283 2.4867  1753.85   76.108    1781.97   107.353   1725.44   107.914   115.207 3.4789  113.358 3.5541  1.848396       4.973417 
1 1 1 6   -19 11 o 30.880  1.8642  128.523   15.243    124.172   20.804    133.567   22.398    30.318  2.5866  31.442  2.6853  -1.124224      3.728429 
1 1 1 6   -19 12 o 132.370 2.7551  2354.12   97.674    2307.41   137.588   2401.58   138.682   131.044 3.9199  133.696 3.8727  -2.652512      5.510292 
1 1 1 6   -19 13 o 163.382 3.2728  3591.81   143.217   3547.72   202.176   3636.23   202.905   162.372 4.6487  164.392 4.6081  -2.019852      6.545606 
1 1 1 6   -19 14 o 76.019  1.9728  775.414   40.162    782.603   56.421    768.030   57.182    76.378  2.7579  75.660  2.8216  0.7175064      3.945606 
1 1 1 6   -19 15 o 101.800 2.3282  1391.58   63.473    1416.84   89.642    1366.19   89.887    102.729 3.2578  100.871 3.3269  1.858437       4.656374 
1 1 1 6   -19 16 o 102.498 2.3281  1410.75   63.905    1439.93   90.434    1381.65   90.318    103.559 3.2603  101.437 3.3242  2.122566       4.656160 
1 1 1 6   -19 17 o 153.639 3.1132  3176.49   128.108   3147.63   181.284   3205.27   181.061   152.939 4.4254  154.340 4.3798  -1.401520      6.226325 
1 1 1 6   -19 18 o 28.260  2.1530  108.256   16.019    115.593   23.156    101.522   22.183    29.192  3.0044  27.327  3.0846  1.864977       4.305941 
1 1 1 6   -19 19 o 59.769  1.9120  479.058   30.594    488.038   44.105    470.729   42.475    60.308  2.7304  59.231  2.6773  1.076859       3.823987 
1 1 1 6   -19 20 o 149.393 3.0796  3004.17   123.213   3076.89   175.181   2932.98   173.332   151.187 4.3260  147.599 4.3844  3.588074       6.159271 
1 1 1 6   -19 21 o 94.362  2.2890  1195.74   57.842    1217.10   82.747    1175.33   80.888    95.185  3.2456  93.538  3.2285  1.646362       4.577909 
1 1 1 6   -19 22 o 132.310 2.8416  2356.69   100.688   2340.55   143.400   2372.38   141.409   131.856 4.0603  132.764 3.9766  -0.9075470     5.683242 
1 1 1 6   -19 23 o 47.274  2.0265  304.407   25.256    269.615   37.037    334.649   34.530    44.686  3.1139  49.862  2.5944  -5.176674      4.053043 
1 1 1 6   -19 24 o 109.710 2.5401  1621.07   74.602    1580.44   106.363   1660.42   104.663   108.345 3.6651  111.076 3.5179  -2.730415      5.080262 
1 1 1 6   -19 25 o 104.343 2.9083  1444.15   78.415    1377.84   97.696    1564.22   131.467   101.128 3.6067  107.559 4.5633  -6.430511      5.816566 
1 1 1 6   -19 26 o 57.142  2.9673  440.552   45.260    440.552   45.260    0.0000    0.0000    57.142  2.9673  ?       ?       ?              ?        
1 1 1 6   -19 27 o 44.115  3.0356  263.401   35.651    263.401   35.651    0.0000    0.0000    44.115  3.0356  ?       ?       ?              ?        
1 1 1 6   -19 28 o 18.091  5.4355  45.320    28.462    45.320    28.462    0.0000    0.0000    18.091  5.4355  ?       ?       ?              ?        
1 1 1 6   -19 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -19 30 o 85.186  3.2821  983.658   74.888    0.0000    0.0000    983.658   74.888    ?       ?       85.186  3.2821  ?              ?        
1 1 1 6   -19 31 o 18.172  3.6327  53.158    18.356    11.799    40.972    63.544    20.532    15.060  6.2300  21.284  3.7380  -6.224182      7.265374 
1 1 1 6   -19 32 o 53.160  2.1256  385.047   30.119    406.669   43.111    364.432   42.096    54.636  2.9569  51.683  3.0545  2.953369       4.251253 
1 1 1 6   -19 33 o 54.128  2.1375  400.549   30.863    396.339   43.827    404.690   43.469    53.835  3.0520  54.422  2.9936  -0.5869675     4.275095 
1 1 1 6   -19 34 o 67.352  2.2461  621.246   40.513    633.786   57.285    608.698   57.303    68.048  3.1430  66.656  3.2096  1.391151       4.492155 
1 1 1 6   -19 35 o 70.843  2.3110  690.421   43.837    704.710   61.723    675.878   62.271    71.611  3.2179  70.075  3.3177  1.536324       4.621938 
1 1 1 6   -19 36 o 22.866  2.9824  75.908    17.530    64.452    24.742    87.458    24.842    20.964  4.5378  24.768  3.8713  -3.803329      5.964800 
1 1 1 6   -19 37 o 48.661  2.3429  330.114   30.351    327.623   42.521    332.701   43.336    48.484  3.2938  48.837  3.3328  -0.3534660     4.685824 
1 1 1 6   -19 38 o 19.220  3.2441  56.611    17.479    29.100    24.981    82.997    24.465    14.539  5.1395  23.901  3.9602  -9.362491      6.488263 
1 1 1 6   -19 39 o 18.132  4.9190  50.791    24.496    50.791    24.496    0.0000    0.0000    18.132  4.9190  ?       ?       ?              ?        
1 1 1 6   -19 40 o 13.989  3.3514  23.141    17.116    -1.4281   23.598    50.415    24.864    10.125  4.4636  17.852  5.0004  -7.727161      6.702840 
1 1 1 6   -19 41 o 37.516  2.7497  210.157   27.041    228.973   37.757    190.344   38.745    39.514  3.6072  35.518  4.1510  3.996185       5.499310 
1 1 1 6   -19 42 f 19.965  3.2455  62.795    16.279    69.471    28.148    59.439    19.955    20.316  5.1623  19.615  3.9351  0.7010384      6.491091 
1 1 1 6   -19 43 o 15.392  3.1627  41.925    14.689    22.208    25.944    51.226    17.820    12.668  5.0611  18.116  3.7941  -5.447536      6.325374 
1 1 1 6   -19 44 o 24.369  2.9766  93.659    17.896    102.681   30.522    88.933    22.091    24.662  4.7933  24.076  3.5306  0.5857430      5.953230 
1 1 1 6   -19 45 o 11.271  3.1713  17.580    14.165    7.9015    26.441    21.475    16.775    10.822  4.7491  11.720  4.2042  -0.8983727     6.342678 
1 1 1 6   -19 46 o 18.697  3.1210  44.504    16.010    119.631   30.845    16.802    18.730    26.494  4.5080  10.900  4.3175  15.59435       6.241995 
1 1 1 6   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -19 48 o 10.822  3.2730  9.3491    15.767    43.609    29.368    -4.5257   18.689    13.716  5.4147  7.9274  3.6784  5.788638       6.545958 
1 1 1 6   -18 0  o 102.062 2.4055  1398.22   65.752    1384.46   93.396    1411.74   92.584    101.562 3.4333  102.562 3.3702  -0.9999847     4.810995 
1 1 1 6   -18 1  o 103.615 2.4159  1441.11   67.040    1424.18   95.253    1457.73   94.369    103.009 3.4523  104.221 3.3806  -1.211098      4.831860 
1 1 1 6   -18 2  o 67.014  1.9591  602.307   35.162    599.958   50.025    604.600   49.433    66.884  2.7924  67.144  2.7486  -0.2597504     3.918211 
1 1 1 6   -18 3  o 238.309 4.6223  7664.38   295.025   7583.54   417.820   7744.76   416.640   237.043 6.5807  239.574 6.4928  -2.530975      9.244570 
1 1 1 6   -18 4  f 76.102  2.0274  776.749   41.325    777.976   58.713    775.545   58.175    76.161  2.8781  76.043  2.8562  0.1182022      4.054799 
1 1 1 6   -18 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 13 o 193.773 5.4468  5098.02   282.094   5427.24   396.480   4760.49   401.449   200.210 7.3934  187.335 8.0006  12.87515       10.89367 
1 1 1 6   -18 14 o 176.704 3.5148  4204.81   166.263   4366.07   235.078   4043.40   235.184   180.113 4.8728  173.295 5.0668  6.817978       7.029687 
1 1 1 6   -18 15 o 85.803  2.0893  987.862   48.016    978.712   67.970    996.976   67.838    85.405  2.9713  86.200  2.9382  -0.7950211     4.178696 
1 1 1 6   -18 16 o 203.262 3.9490  5571.85   214.993   5612.66   304.251   5531.15   303.843   204.009 5.5679  202.514 5.6015  1.495239       7.898011 
1 1 1 6   -18 17 o 196.202 3.8481  5191.09   202.223   5176.83   286.405   5205.27   285.568   195.930 5.4575  196.475 5.4264  -0.5450439     7.696113 
1 1 1 6   -18 18 o 97.945  2.2649  1287.95   59.414    1288.61   84.623    1287.30   83.438    97.969  3.2249  97.922  3.1812  0.4653168E-01  4.529892 
1 1 1 6   -18 19 o 111.695 2.4881  1675.79   74.429    1687.89   106.156   1664.10   104.382   112.090 3.5358  111.300 3.5014  0.7895508      4.976130 
1 1 1 6   -18 20 o 141.964 2.9504  2711.13   112.179   2716.32   159.681   2706.08   157.631   142.094 4.1955  141.833 4.1493  0.2609863      5.900770 
1 1 1 6   -18 21 o 208.565 4.0546  5877.02   226.499   5876.21   321.358   5877.83   319.288   208.544 5.7531  208.585 5.7149  -0.4090881E-01 8.109155 
1 1 1 6   -18 22 o 187.737 3.7759  4761.00   189.753   4589.10   269.194   4930.78   267.517   184.334 5.4522  191.139 5.2253  -6.804398      7.551834 
1 1 1 6   -18 23 o 23.126  2.7161  75.254    15.944    64.141    23.924    84.133    21.385    21.445  4.3145  24.807  3.3004  -3.361732      5.432141 
1 1 1 6   -18 24 o 118.672 2.6754  1896.42   84.990    1840.50   121.001   1950.86   119.402   116.933 3.8634  120.412 3.7021  -3.479836      5.350828 
1 1 1 6   -18 25 o 133.646 2.9028  2408.43   103.880   2359.66   147.610   2456.28   146.216   132.293 4.1657  135.000 4.0436  -2.707443      5.805536 
1 1 1 6   -18 26 o 51.267  2.9707  354.580   40.618    354.580   40.618    0.0000    0.0000    51.267  2.9707  ?       ?       ?              ?        
1 1 1 6   -18 27 o 112.906 3.7154  1720.13   112.360   1720.13   112.360   0.0000    0.0000    112.906 3.7154  ?       ?       ?              ?        
1 1 1 6   -18 28 o 25.389  3.6741  88.842    24.258    88.842    24.258    0.0000    0.0000    25.389  3.6741  ?       ?       ?              ?        
1 1 1 6   -18 29 o 28.502  5.9641  115.777   44.069    0.0000    0.0000    115.777   44.069    ?       ?       28.502  5.9641  ?              ?        
1 1 1 6   -18 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 31 o 32.877  3.1685  147.797   27.557    0.0000    0.0000    147.797   27.557    ?       ?       32.877  3.1685  ?              ?        
1 1 1 6   -18 32 o 26.202  2.5664  95.327    17.513    100.507   25.062    90.385    24.481    26.926  3.5625  25.478  3.6952  1.448040       5.132823 
1 1 1 6   -18 33 o 45.738  2.1593  285.896   26.277    302.190   37.477    270.139   36.854    47.044  2.9897  44.432  3.1165  2.612156       4.318629 
1 1 1 6   -18 34 o 78.835  2.3462  851.473   49.521    875.836   69.844    826.843   70.225    80.000  3.2595  77.670  3.3756  2.329926       4.692424 
1 1 1 6   -18 35 o 43.127  2.2914  258.557   26.001    293.135   36.341    222.293   37.217    46.227  2.9505  40.028  3.5067  6.198887       4.582821 
1 1 1 6   -18 36 o 16.912  3.2510  41.903    15.160    45.686    21.116    37.880    21.779    17.672  4.4606  16.151  4.7306  1.520601       6.501913 
1 1 1 6   -18 37 o 43.362  2.3274  261.408   26.817    251.758   37.348    271.679   38.531    42.526  3.3048  44.199  3.2780  -1.672386      4.654814 
1 1 1 6   -18 38 o 14.783  3.4234  31.378    15.708    34.878    21.500    27.372    23.005    15.412  4.7437  14.154  4.9374  1.257286       6.846889 
1 1 1 6   -18 39 o 16.967  3.4307  43.866    17.290    60.145    23.876    25.919    25.070    19.955  4.5660  13.979  5.1216  5.975311       6.861460 
1 1 1 6   -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -18 41 o 32.591  2.5293  156.806   20.713    147.856   33.889    162.143   26.170    31.393  4.1306  33.789  2.9203  -2.395758      5.058652 
1 1 1 6   -18 42 o 36.779  2.5238  203.467   23.313    185.186   37.981    214.519   29.531    34.816  4.1549  38.741  2.8662  -3.924831      5.047563 
1 1 1 6   -18 43 o 9.7291  2.9014  3.3269    11.796    17.831    22.404    -2.2363   13.875    11.843  4.7122  7.6155  3.3866  4.227207       5.802856 
1 1 1 6   -18 44 o 13.027  3.0143  27.966    14.598    -5.9323   26.542    42.669    17.480    9.7820  4.4824  16.272  4.0313  -6.490500      6.028562 
1 1 1 6   -18 45 o 7.9606  2.6123  -6.6796   12.088    -13.9687  23.600    -4.0873   14.074    8.5718  4.0281  7.3494  3.3273  1.222472       5.224601 
1 1 1 6   -18 46 o 14.628  3.3588  25.058    15.120    74.018    29.335    7.3454    17.644    19.797  5.3880  9.4597  4.0118  10.33693       6.717564 
1 1 1 6   -18 47 o 9.8469  4.5321  -1.1438   27.545    -1.1438   27.545    0.0000    0.0000    9.8469  4.5321  ?       ?       ?              ?        
1 1 1 6   -18 48 o 22.933  3.5869  103.806   20.352    103.796   36.027    103.810   24.664    21.139  6.0538  24.728  3.8490  -3.589344      7.173740 
1 1 1 6   -17 0  o 141.736 6.0069  2706.52   228.045   0.0000    0.0000    2706.52   228.045   ?       ?       141.736 6.0069  ?              ?        
1 1 1 6   -17 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -17 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -17 3  o 256.057 4.9196  8846.31   337.405   8879.57   477.806   8813.24   476.523   256.538 6.9536  255.576 6.9611  0.9620819      9.839166 
1 1 1 6   -17 4  o 112.134 2.5101  1687.66   75.367    1645.46   106.839   1729.45   106.333   110.736 3.6021  113.533 3.4967  -2.797745      5.020144 
1 1 1 6   -17 5  f 129.486 2.7546  2250.64   95.533    2231.98   135.284   2269.21   134.925   128.949 3.9169  130.023 3.8742  -1.074097      5.509206 
1 1 1 6   -17 6  o 185.315 3.6488  4617.88   181.079   4518.42   256.071   4717.36   256.098   183.311 5.2153  187.319 5.1043  -4.007889      7.297513 
1 1 1 6   -17 7  o 39.348  1.7124  208.511   17.942    216.597   25.200    200.197   25.552    40.130  2.3548  38.566  2.4869  1.564632       3.424842 
1 1 1 6   -17 8  o 64.832  1.8409  563.355   31.962    551.125   44.861    575.964   45.550    64.117  2.6122  65.546  2.5945  -1.429405      3.681720 
1 1 1 6   -17 9  o 161.625 3.2118  3510.60   138.990   3617.87   196.351   3402.87   196.773   164.109 4.4670  159.142 4.6163  4.967682       6.423697 
1 1 1 6   -17 10 o 43.342  1.6830  252.695   19.451    257.756   27.233    247.424   27.792    43.790  2.3302  42.894  2.4290  0.8961487      3.365989 
1 1 1 6   -17 11 o 95.582  2.1986  1225.50   56.285    1229.57   79.289    1221.37   79.911    95.743  3.0919  95.422  3.1266  0.3214417      4.397175 
1 1 1 6   -17 12 o 241.113 4.6042  7842.13   297.341   7882.91   420.279   7801.26   420.729   241.746 6.4907  240.480 6.5318  1.266205       9.208339 
1 1 1 6   -17 13 o 78.826  1.9749  833.267   41.691    814.735   58.738    852.081   59.185    77.942  2.8136  79.710  2.7721  -1.767982      3.949786 
1 1 1 6   -17 14 f 169.255 4.7640  3872.20   215.790   3732.23   307.383   4008.20   303.010   166.201 6.9049  172.309 6.5654  -6.107819      9.527931 
1 1 1 6   -17 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -17 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -17 17 o 142.438 2.9544  2727.33   112.713   2734.55   160.066   2720.23   158.743   142.624 4.1900  142.253 4.1662  0.3708038      5.908802 
1 1 1 6   -17 18 f 19.346  2.3861  51.725    11.912    50.452    16.916    52.977    16.776    19.095  3.4336  19.597  3.3143  -0.5018082     4.772216 
1 1 1 6   -17 19 o 64.724  1.9088  561.943   33.071    563.854   47.645    560.167   45.940    64.829  2.7439  64.620  2.6542  0.2086334      3.817563 
1 1 1 6   -17 20 o 121.448 2.6446  1982.43   86.008    1967.90   122.716   1996.47   120.578   121.005 3.7863  121.891 3.6933  -0.8856201     5.289226 
1 1 1 6   -17 21 o 116.513 2.6245  1824.97   81.877    1803.18   116.935   1845.93   114.682   115.824 3.7693  117.202 3.6532  -1.377670      5.249096 
1 1 1 6   -17 22 o 103.056 2.4258  1426.54   66.947    1439.58   95.851    1414.11   93.546    103.514 3.4571  102.599 3.4040  0.9148407      4.851668 
1 1 1 6   -17 23 o 120.722 2.6763  1960.79   86.486    1904.88   123.160   2015.19   121.478   119.012 3.8636  122.431 3.7044  -3.418274      5.352537 
1 1 1 6   -17 24 o 121.853 2.6837  1996.89   87.577    2043.99   124.745   1951.11   122.980   123.272 3.7781  120.434 3.8124  2.838104       5.367337 
1 1 1 6   -17 25 o 76.260  2.1303  781.014   43.494    789.177   62.575    773.385   60.496    76.643  3.0482  75.877  2.9767  0.7651138      4.260521 
1 1 1 6   -17 26 o 95.161  2.3618  1217.90   60.190    1246.46   85.643    1190.03   84.610    96.266  3.3215  94.057  3.3585  2.209068       4.723527 
1 1 1 6   -17 27 o 21.843  4.3045  66.660    24.288    66.660    24.288    0.0000    0.0000    21.843  4.3045  ?       ?       ?              ?        
1 1 1 6   -17 28 o 97.392  3.4659  1278.96   90.414    1278.96   90.414    0.0000    0.0000    97.392  3.4659  ?       ?       ?              ?        
1 1 1 6   -17 29 o 105.350 5.1176  1513.14   144.406   1513.14   144.406   0.0000    0.0000    105.350 5.1176  ?       ?       ?              ?        
1 1 1 6   -17 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -17 31 o 30.056  5.6480  128.711   43.800    0.0000    0.0000    128.711   43.800    ?       ?       30.056  5.6480  ?              ?        
1 1 1 6   -17 32 o 53.689  2.6525  381.475   35.467    433.048   63.981    358.598   42.613    56.045  4.2948  51.333  3.1140  4.711922       5.304909 
1 1 1 6   -17 33 o 48.264  2.1631  318.192   27.782    330.958   38.914    304.920   39.677    49.285  2.9616  47.244  3.1536  2.040245       4.326180 
1 1 1 6   -17 34 o 41.570  2.2517  236.734   24.803    213.087   34.342    262.519   35.861    39.359  3.2877  43.781  3.0776  -4.421928      4.503396 
1 1 1 6   -17 35 o 45.755  2.2037  287.430   26.828    273.842   37.499    301.677   38.399    44.628  3.1575  46.882  3.0750  -2.254208      4.407400 
1 1 1 6   -17 36 f 49.995  2.2575  345.277   30.003    360.665   41.754    328.849   43.142    51.212  3.0579  48.778  3.3218  2.433907       4.515014 
1 1 1 6   -17 37 o 15.459  3.4260  34.393    15.857    38.065    21.558    30.064    23.406    16.146  4.7001  14.771  4.9858  1.374766       6.851926 
1 1 1 6   -17 38 o 12.711  3.3464  17.130    15.594    7.2989    20.918    29.427    23.395    10.851  4.4665  14.572  4.9843  -3.721098      6.692729 
1 1 1 6   -17 39 o 20.990  2.9755  66.461    15.552    59.589    25.785    70.390    19.498    19.785  4.8930  22.194  3.3873  -2.408674      5.951078 
1 1 1 6   -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -17 41 o 34.932  2.4220  173.933   21.747    185.549   35.483    166.945   27.522    35.592  3.7799  34.272  3.0293  1.319828       4.843981 
1 1 1 6   -17 42 o 27.629  2.7208  114.307   18.598    114.514   31.278    114.193   23.131    27.162  4.4535  28.095  3.1269  -0.9328384     5.441577 
1 1 1 6   -17 43 o 29.030  2.6081  121.744   19.295    152.900   32.123    104.160   24.133    31.679  3.8660  26.382  3.5018  5.297497       5.216142 
1 1 1 6   -17 44 f 9.5904  2.9027  5.8967    12.752    -0.4857   23.215    8.6547    15.261    9.7372  4.3517  9.4437  3.8426  0.2934990      5.805415 
1 1 1 6   -17 45 o 18.644  3.4690  61.221    17.018    58.543    30.023    62.489    20.658    17.591  5.6327  19.697  4.0509  -2.105589      6.938055 
1 1 1 6   -17 46 o 21.602  3.5470  82.226    19.086    85.592    34.123    80.694    23.024    20.852  5.8642  22.352  3.9921  -1.500443      7.094067 
1 1 1 6   -17 47 o 11.972  3.2669  23.896    15.458    6.4434    29.378    30.578    18.178    10.727  4.8364  13.216  4.3933  -2.488811      6.533890 
1 1 1 6   -17 48 o 16.074  3.7456  54.120    18.084    57.748    33.823    52.668    21.400    15.470  5.8910  16.679  4.6276  -1.208575      7.491226 
1 1 1 6   -16 0  o 117.305 2.6005  1846.41   81.703    1837.18   115.963   1855.50   115.132   117.013 3.7000  117.598 3.6552  -0.5847092     5.200943 
1 1 1 6   -16 1  o 196.737 3.8838  5204.08   204.652   5263.08   290.084   5145.61   288.763   197.850 5.4739  195.624 5.5110  2.225647       7.767556 
1 1 1 6   -16 2  o 99.728  2.3247  1334.34   62.072    1298.97   88.194    1369.07   87.377    98.416  3.3457  101.041 3.2286  -2.625458      4.649440 
1 1 1 6   -16 3  o 158.373 3.2310  3368.62   137.007   3273.08   194.146   3463.41   193.370   156.129 4.6425  160.617 4.4948  -4.488327      6.461905 
1 1 1 6   -16 4  o 292.105 5.5143  11509.01  431.417   11390.00  610.401   11627.79  609.832   290.584 7.8425  293.625 7.7540  -3.041107      11.02859 
1 1 1 6   -16 5  o 127.061 2.7128  2165.91   92.312    2209.59   130.684   2122.42   130.414   128.341 3.8016  125.780 3.8710  2.560921       5.425578 
1 1 1 6   -16 6  o 132.864 2.7357  2368.33   97.344    2409.66   137.673   2327.02   137.657   134.025 3.8351  131.703 3.9022  2.322113       5.471322 
1 1 1 6   -16 7  o 167.575 3.3394  3770.85   149.863   3847.69   211.810   3693.82   212.066   169.290 4.6712  165.861 4.7735  3.428482       6.678795 
1 1 1 6   -16 8  o 134.721 2.7802  2435.10   100.308   2380.36   141.515   2490.37   142.200   133.197 3.9666  136.245 3.8966  -3.047409      5.560377 
1 1 1 6   -16 9  o 279.031 5.2981  10497.24  395.966   10445.77  559.597   10548.85  560.366   278.343 7.5060  279.719 7.4793  -1.376648      10.59619 
1 1 1 6   -16 10 o 97.353  2.1970  1270.85   57.264    1221.44   80.631    1321.13   81.340    95.442  3.1541  99.264  3.0593  -3.821999      4.394075 
1 1 1 6   -16 11 o 251.758 4.7736  8539.45   321.899   8550.53   454.995   8528.34   455.473   251.924 6.7429  251.593 6.7589  0.3307343      9.547229 
1 1 1 6   -16 12 o 132.905 2.7533  2370.60   98.014    2354.39   138.387   2386.91   138.838   132.449 3.9008  133.361 3.8868  -0.9124908     5.506688 
1 1 1 6   -16 13 o 183.289 3.5809  4516.49   175.794   4555.43   248.544   4477.51   248.676   184.083 5.0408  182.495 5.0874  1.587646       7.161793 
1 1 1 6   -16 14 o 110.523 2.4105  1638.97   71.356    1653.18   101.115   1624.86   100.713   111.001 3.4009  110.045 3.4168  0.9557800      4.820909 
1 1 1 6   -16 15 o 79.892  2.0194  856.003   43.210    856.716   61.518    855.307   60.706    79.924  2.8736  79.860  2.8380  0.6435394E-01  4.038831 
1 1 1 6   -16 16 o 31.377  1.8014  134.011   14.870    119.271   21.622    147.239   20.483    29.695  2.7497  33.059  2.3281  -3.363785      3.602871 
1 1 1 6   -16 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -16 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -16 19 o 79.020  2.0438  838.490   43.212    819.918   62.153    855.867   60.119    78.168  2.9685  79.872  2.8101  -1.703339      4.087680 
1 1 1 6   -16 20 o 100.571 2.3505  1357.77   63.302    1372.80   90.677    1343.47   88.412    101.112 3.3481  100.030 3.2998  1.082191       4.700948 
1 1 1 6   -16 21 f 103.510 2.3990  1438.55   66.501    1461.51   95.150    1416.62   92.981    104.316 3.4054  102.704 3.3800  1.612251       4.798007 
1 1 1 6   -16 22 o 57.948  1.9754  451.753   30.540    441.179   44.352    461.287   42.115    57.261  2.9013  58.635  2.6816  -1.374310      3.950747 
1 1 1 6   -16 23 o 44.097  2.0009  261.316   23.337    306.058   34.002    221.467   32.089    47.685  2.6729  40.509  2.9783  7.176147       4.001871 
1 1 1 6   -16 24 o 123.966 2.7460  2066.94   91.172    2060.66   129.500   2073.10   128.381   123.777 3.9061  124.156 3.8605  -0.3793259     5.491907 
1 1 1 6   -16 25 o 159.510 3.2576  3429.91   139.164   3499.73   197.278   3360.75   196.340   161.134 4.5709  157.886 4.6428  3.247940       6.515237 
1 1 1 6   -16 26 o 83.663  2.2550  941.023   50.459    1006.82   71.821    876.891   70.907    86.560  3.0977  80.766  3.2777  5.794151       4.509914 
1 1 1 6   -16 27 o 178.581 3.6537  4317.92   174.753   4374.67   246.949   4260.98   247.328   179.770 5.1286  177.391 5.2054  2.379852       7.307460 
1 1 1 6   -16 28 f 136.344 4.2145  2511.64   153.910   2511.64   153.910   0.0000    0.0000    136.344 4.2145  ?       ?       ?              ?        
1 1 1 6   -16 29 o 44.945  3.0637  273.317   36.662    273.317   36.662    0.0000    0.0000    44.945  3.0637  ?       ?       ?              ?        
1 1 1 6   -16 30 o 65.974  4.2883  593.286   75.368    593.286   75.368    0.0000    0.0000    65.974  4.2883  ?       ?       ?              ?        
1 1 1 6   -16 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -16 32 o 27.035  3.6217  101.050   25.567    0.0000    0.0000    101.050   25.567    ?       ?       27.035  3.6217  ?              ?        
1 1 1 6   -16 33 f 34.276  2.3584  161.059   21.287    143.185   29.501    180.476   30.748    32.242  3.4707  36.309  3.1941  -4.066936      4.716771 
1 1 1 6   -16 34 o 73.472  2.3042  736.857   45.314    753.707   63.432    719.294   64.757    74.361  3.1847  72.584  3.3309  1.776939       4.608409 
1 1 1 6   -16 35 o 35.506  2.3553  173.752   22.055    155.400   30.497    193.872   31.934    33.490  3.4491  37.522  3.2083  -4.031334      4.710551 
1 1 1 6   -16 36 o 70.899  2.3273  690.769   44.165    699.847   61.572    681.148   63.385    71.417  3.2188  70.380  3.3624  1.037422       4.654685 
1 1 1 6   -16 37 o 22.001  2.5886  65.569    14.401    88.383    23.381    51.624    18.280    25.025  3.5911  18.977  3.7293  6.048332       5.177227 
1 1 1 6   -16 38 o 30.093  2.3483  126.946   18.143    126.666   28.913    127.128   23.301    29.912  3.6868  30.273  2.9095  -0.3604794     4.696572 
1 1 1 6   -16 39 o 48.312  2.1517  321.978   27.335    342.317   42.741    307.902   35.557    49.473  3.2434  47.152  2.8285  2.321220       4.303487 
1 1 1 6   -16 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -16 41 o 11.427  3.1131  11.339    12.356    26.773    23.704    5.5800    14.479    13.786  4.9908  9.0691  3.7225  4.716673       6.226186 
1 1 1 6   -16 42 o 16.140  3.3240  41.272    14.821    40.662    25.446    41.585    18.232    15.893  5.1938  16.386  4.1498  -0.4926710     6.648047 
1 1 1 6   -16 43 o 33.614  2.7646  178.835   22.449    142.377   36.516    200.986   28.463    29.812  4.7310  37.416  2.8617  -7.604198      5.529185 
1 1 1 6   -16 44 o 26.306  2.8561  100.242   18.733    142.372   32.354    78.996    22.976    30.135  4.1159  22.477  3.9609  7.658083       5.712269 
1 1 1 6   -16 45 o 36.310  2.6739  201.022   24.515    215.450   41.280    193.161   30.469    36.618  4.2901  36.003  3.1928  0.6152458      5.347778 
1 1 1 6   -16 46 o 13.010  3.4441  26.101    14.908    34.321    28.437    22.986    17.506    13.987  5.3833  12.034  4.2972  1.952671       6.888105 
1 1 1 6   -16 47 o 10.794  3.0963  14.930    15.037    -11.5290  29.050    24.613    17.575    9.4443  4.4477  12.144  4.3089  -2.699306      6.192589 
1 1 1 6   -16 48 o 20.232  3.7713  75.259    19.291    106.531   35.939    62.602    22.864    22.108  5.9416  18.355  4.6462  3.752750       7.542506 
1 1 1 6   -15 0  o 55.356  1.8411  410.643   27.298    413.394   38.805    407.948   38.407    55.539  2.6086  55.172  2.5990  0.3669090      3.682290 
1 1 1 6   -15 1  o 271.827 5.1954  9947.43   378.256   9865.92   535.462   10028.63  534.408   270.708 7.3848  272.946 7.3098  -2.237640      10.39079 
1 1 1 6   -15 2  o 133.293 2.8332  2382.84   101.149   2387.01   143.554   2378.74   142.545   133.408 4.0174  133.178 3.9960  0.2301941      5.666361 
1 1 1 6   -15 3  o 310.563 5.8390  12991.60  485.705   12929.80  687.356   13053.23  686.427   309.820 8.2829  311.306 8.2322  -1.486206      11.67804 
1 1 1 6   -15 4  o 200.265 3.9165  5384.99   210.061   5299.83   297.254   5469.94   296.888   198.679 5.5858  201.851 5.4913  -3.171951      7.832968 
1 1 1 6   -15 5  o 146.299 3.0241  2870.68   118.497   2835.90   167.578   2905.45   167.581   145.411 4.3026  147.186 4.2508  -1.774750      6.048257 
1 1 1 6   -15 6  o 73.360  1.9173  721.150   37.658    693.872   52.993    748.978   53.525    71.958  2.7495  74.762  2.6729  -2.804031      3.834573 
1 1 1 6   -15 7  f 226.441 4.3404  6888.02   263.209   6738.62   371.828   7038.07   372.642   223.973 6.1981  228.908 6.0777  -4.935806      8.680730 
1 1 1 6   -15 8  o 47.085  1.6582  297.388   20.855    280.322   29.234    315.072   29.759    45.677  2.3978  48.493  2.2911  -2.816193      3.316477 
1 1 1 6   -15 9  o 150.305 3.0321  3030.74   122.052   3085.21   172.326   2975.91   172.889   151.663 4.2421  148.947 4.3336  2.715714       6.064277 
1 1 1 6   -15 10 o 118.458 2.5036  1881.48   79.433    1892.73   112.096   1870.13   112.576   118.814 3.5224  118.102 3.5588  0.7125854      5.007162 
1 1 1 6   -15 11 o 321.057 6.0122  13903.98  516.940   14175.40  731.061   13632.56  731.066   324.213 8.4185  317.900 8.5857  6.312561       12.02438 
1 1 1 6   -15 12 o 118.014 2.4817  1867.74   78.442    1886.67   110.862   1848.75   111.005   118.614 3.4895  117.414 3.5297  1.199875       4.963364 
1 1 1 6   -15 13 o 171.659 3.4088  3957.21   156.731   3961.04   221.776   3953.39   221.525   171.742 4.8211  171.576 4.8203  0.1658325      6.817563 
1 1 1 6   -15 14 o 86.082  2.0749  993.336   47.828    1024.97   68.100    962.546   67.186    87.435  2.9079  84.729  2.9605  2.706024       4.149714 
1 1 1 6   -15 15 o 64.398  1.8254  555.693   31.476    564.898   45.203    547.029   43.854    64.915  2.5998  63.881  2.5630  1.034027       3.650748 
1 1 1 6   -15 16 o 212.879 4.1282  6102.29   235.384   6120.73   333.788   6084.04   331.986   213.198 5.8452  212.561 5.8311  0.6371002      8.256370 
1 1 1 6   -15 17 o 31.936  1.8453  138.998   15.477    124.892   22.782    151.087   21.091    30.385  2.8319  33.488  2.3665  -3.103052      3.690540 
1 1 1 6   -15 18 o 135.876 2.8620  2480.72   104.137   2454.55   148.359   2506.14   146.210   135.164 4.0979  136.588 3.9965  -1.423508      5.724037 
1 1 1 6   -15 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -15 20 o 195.246 3.8217  5138.41   199.848   5107.11   283.621   5169.27   281.643   194.647 5.4400  195.845 5.3691  -1.197433      7.643350 
1 1 1 6   -15 21 o 183.644 3.6657  4544.90   180.280   4659.88   255.883   4431.56   254.037   185.961 5.1372  181.328 5.2305  4.633301       7.331410 
1 1 1 6   -15 22 o 54.048  1.9632  393.070   28.317    380.305   40.795    404.938   39.337    53.157  2.8759  54.939  2.6732  -1.781872      3.926403 
1 1 1 6   -15 23 o 116.894 2.6319  1836.60   82.399    1823.79   116.905   1849.25   116.158   116.486 3.7469  117.302 3.6970  -0.8160477     5.263774 
1 1 1 6   -15 24 o 51.353  2.0317  354.954   27.815    357.719   40.168    352.406   38.553    51.541  2.9216  51.165  2.8241  0.3761673      4.063473 
1 1 1 6   -15 25 o 71.059  2.1299  678.014   40.537    675.518   57.511    680.478   57.146    70.928  3.0272  71.190  2.9970  -0.2618027     4.259801 
1 1 1 6   -15 26 o 159.693 3.3238  3439.99   142.139   3524.17   200.966   3355.73   201.065   161.663 4.6411  157.724 4.7594  3.938568       6.647678 
1 1 1 6   -15 27 o 151.354 3.2040  3091.50   129.869   3142.25   183.293   3040.33   184.035   152.613 4.4840  150.094 4.5777  2.518646       6.407921 
1 1 1 6   -15 28 o 148.879 4.4760  2994.69   178.489   2994.69   178.489   0.0000    0.0000    148.879 4.4760  ?       ?       ?              ?        
1 1 1 6   -15 29 o 164.300 4.8519  3661.56   213.518   3661.56   213.518   0.0000    0.0000    164.300 4.8519  ?       ?       ?              ?        
1 1 1 6   -15 30 f 42.100  4.2821  242.672   47.615    242.672   47.615    0.0000    0.0000    42.100  4.2821  ?       ?       ?              ?        
1 1 1 6   -15 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -15 32 o 36.288  3.2793  179.748   31.529    0.0000    0.0000    179.748   31.529    ?       ?       36.288  3.2793  ?              ?        
1 1 1 6   -15 33 o 32.685  3.1365  147.734   24.293    152.717   44.961    145.679   28.870    32.795  5.2992  32.574  3.3569  0.2202988      6.272995 
1 1 1 6   -15 34 o 58.710  2.2283  470.289   34.904    466.856   48.722    473.909   50.026    58.500  3.1207  58.920  3.1817  -0.4202614     4.456700 
1 1 1 6   -15 35 o 50.502  2.2327  350.238   29.977    365.361   41.635    333.961   43.195    51.689  3.0204  49.315  3.2890  2.373711       4.465437 
1 1 1 6   -15 36 o 37.757  2.1713  199.992   21.164    175.902   32.645    217.459   27.797    35.606  3.4669  39.907  2.6150  -4.300480      4.342524 
1 1 1 6   -15 37 o 54.212  2.0726  399.055   29.765    439.990   45.573    368.604   39.306    56.576  3.0183  51.848  2.8412  4.728458       4.145170 
1 1 1 6   -15 38 o 65.556  2.2246  599.875   38.412    547.932   57.777    641.021   51.422    62.747  3.4510  68.365  2.8082  -5.617992      4.449193 
1 1 1 6   -15 39 o 39.658  2.1944  212.529   22.733    258.566   36.435    183.184   29.090    43.045  3.1827  36.271  3.0218  6.774490       4.388719 
1 1 1 6   -15 40 o 33.266  3.1650  154.038   26.657    123.164   33.271    209.386   44.547    28.840  4.4503  37.691  4.5016  -8.851414      6.330082 
1 1 1 6   -15 41 o 23.767  3.0501  91.546    17.395    64.431    28.986    106.808   21.746    20.092  5.3071  27.441  3.0079  -7.349588      6.100239 
1 1 1 6   -15 42 o 8.8213  2.7338  -2.2885   11.780    6.4977    20.165    -6.8411   14.515    10.284  4.3211  7.3584  3.3500  2.925677       5.467566 
1 1 1 6   -15 43 o 26.363  2.7859  104.292   18.464    112.247   30.423    99.653    23.233    26.785  4.3928  25.941  3.4276  0.8435783      5.571832 
1 1 1 6   -15 44 o 27.695  2.8291  116.393   19.659    129.676   32.889    109.008   24.522    28.466  4.4599  26.924  3.4820  1.542089       5.658192 
1 1 1 6   -15 45 o 22.041  3.2223  94.791    19.075    37.206    31.465    128.250   23.984    14.652  5.6562  29.429  3.0887  -14.77706      6.444621 
1 1 1 6   -15 46 f 21.007  3.3164  70.229    17.459    95.186    30.398    57.944    21.327    23.365  5.0078  18.650  4.3494  4.714924       6.632872 
1 1 1 6   -15 47 f 9.3640  3.0162  -3.2997   14.427    12.380    28.443    -8.7309   16.740    11.276  4.9375  7.4522  3.4658  3.823555       6.032467 
1 1 1 6   -15 48 o 8.8513  2.9299  -7.7248   14.191    11.449    29.438    -13.5288  16.197    10.902  4.8843  6.8003  3.2372  4.101985       5.859713 
1 1 1 6   -14 0  o 55.955  1.8430  419.600   27.617    413.576   39.255    425.503   38.860    55.557  2.6379  56.353  2.5745  -0.7960510     3.686009 
1 1 1 6   -14 1  o 58.249  1.8437  454.581   28.765    456.854   40.886    452.354   40.476    58.393  2.6141  58.105  2.6007  0.2881813      3.687447 
1 1 1 6   -14 2  o 366.614 6.8605  18101.79  673.658   17937.44  953.166   18265.81  952.227   364.941 9.7512  368.287 9.6531  -3.346039      13.72106 
1 1 1 6   -14 3  o 73.169  1.9859  717.547   38.905    697.803   55.177    737.067   54.865    72.167  2.8545  74.170  2.7617  -2.003647      3.971791 
1 1 1 6   -14 4  o 139.809 2.9197  2620.80   109.300   2545.30   154.636   2696.18   154.510   137.795 4.1898  141.824 4.0674  -4.029175      5.839351 
1 1 1 6   -14 5  o 105.431 2.3297  1489.53   65.788    1473.64   92.895    1505.51   93.181    104.867 3.3072  105.995 3.2821  -1.128159      4.659393 
1 1 1 6   -14 6  o 134.845 2.7909  2438.36   100.699   2303.76   142.038   2574.37   142.783   131.099 4.0450  138.591 3.8464  -7.492020      5.581809 
1 1 1 6   -14 7  o 472.936 8.7111  30202.50  1103.44   29933.39  1559.99   30471.96  1561.02   470.811 12.370  475.060 12.268  -4.249084      17.42212 
1 1 1 6   -14 8  o 283.281 5.3066  10781.48  402.642   10788.91  569.094   10774.03  569.750   283.380 7.4977  283.182 7.5115  0.1972046      10.61312 
1 1 1 6   -14 9  o 177.379 3.4600  4219.79   164.382   4237.40   232.195   4202.09   232.748   177.751 4.8770  177.007 4.9092  0.7437286      6.919908 
1 1 1 6   -14 10 o 255.189 4.7866  8747.84   327.137   8901.25   462.529   8594.28   462.755   257.435 6.7078  252.943 6.8303  4.491364       9.573288 
1 1 1 6   -14 11 o 90.392  2.1205  1095.29   51.318    1130.04   72.508    1060.42   72.641    91.830  2.9479  88.954  3.0488  2.875648       4.240906 
1 1 1 6   -14 12 o 377.545 7.0448  19239.69  712.357   19488.66  1007.69   18990.98  1007.16   380.004 9.9004  375.085 10.025  4.919769       14.08954 
1 1 1 6   -14 13 o 108.774 2.4114  1586.27   70.252    1578.77   99.740    1593.66   98.966    108.518 3.4315  109.030 3.3888  -0.5119934     4.822777 
1 1 1 6   -14 14 o 102.646 2.2893  1412.24   62.934    1443.09   89.747    1382.40   88.275    103.749 3.2296  101.544 3.2456  2.205841       4.578675 
1 1 1 6   -14 15 o 128.993 2.7146  2232.90   93.764    2197.09   133.500   2267.75   131.724   127.969 3.8948  130.017 3.7825  -2.047997      5.429224 
1 1 1 6   -14 16 o 203.753 3.9707  5584.47   216.667   5499.33   307.366   5668.57   305.469   202.200 5.6752  205.307 5.5549  -3.106476      7.941355 
1 1 1 6   -14 17 o 187.619 3.7083  4733.68   186.348   4799.80   264.777   4668.78   262.312   188.919 5.2326  186.319 5.2562  2.599792       7.416693 
1 1 1 6   -14 18 o 186.200 3.6742  4664.60   183.240   4683.18   260.281   4646.35   258.016   186.565 5.2086  185.834 5.1836  0.7310486      7.348419 
1 1 1 6   -14 19 o 76.346  2.0329  781.710   41.558    786.319   59.630    777.356   57.950    76.564  2.9077  76.129  2.8419  0.4348755      4.065896 
1 1 1 6   -14 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -14 21 o 161.893 3.2991  3527.02   143.030   3620.21   202.839   3434.86   201.716   164.028 4.6168  159.758 4.7140  4.270035       6.598264 
1 1 1 6   -14 22 o 182.852 3.6750  4506.32   179.981   4565.72   254.770   4447.15   254.294   184.061 5.1677  181.642 5.2267  2.418716       7.350087 
1 1 1 6   -14 23 o 68.100  2.0460  622.353   37.310    641.970   53.002    603.085   52.529    69.165  2.8610  67.034  2.9256  2.130524       4.091985 
1 1 1 6   -14 24 o 91.595  2.3395  1126.95   57.386    1150.80   81.099    1103.03   81.213    92.569  3.2709  90.622  3.3459  1.947701       4.679027 
1 1 1 6   -14 25 o 129.368 2.8434  2251.48   98.518    2276.77   139.008   2225.96   139.645   130.103 3.9890  128.634 4.0531  1.468872       5.686779 
1 1 1 6   -14 26 o 105.981 2.5410  1510.18   72.125    1524.09   101.607   1496.05   102.398   106.477 3.5627  105.486 3.6242  0.9912949      5.082073 
1 1 1 6   -14 27 o 42.358  2.1466  242.815   24.112    263.671   34.021    221.763   34.180    44.215  2.8885  40.500  3.1763  3.715111       4.293280 
1 1 1 6   -14 28 o 125.749 2.8525  2131.95   96.057    2161.53   135.066   2101.69   136.637   126.642 3.9818  124.856 4.0857  1.785973       5.705059 
1 1 1 6   -14 29 o 50.576  2.9713  345.243   40.075    345.243   40.075    0.0000    0.0000    50.576  2.9713  ?       ?       ?              ?        
1 1 1 6   -14 30 o 42.627  3.0702  246.000   34.820    246.000   34.820    0.0000    0.0000    42.627  3.0702  ?       ?       ?              ?        
1 1 1 6   -14 31 o 52.219  4.1638  372.291   57.755    372.291   57.755    0.0000    0.0000    52.219  4.1638  ?       ?       ?              ?        
1 1 1 6   -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -14 33 o 46.513  3.1640  294.607   39.184    0.0000    0.0000    294.607   39.184    ?       ?       46.513  3.1640  ?              ?        
1 1 1 6   -14 34 o 64.379  2.0761  558.523   35.660    607.385   53.392    519.175   47.913    66.891  2.9800  61.868  2.8913  5.023373       4.152138 
1 1 1 6   -14 35 o 32.945  2.2323  154.042   18.714    124.335   28.529    176.477   24.792    29.901  3.6370  35.988  2.5893  -6.086443      4.464599 
1 1 1 6   -14 36 o 15.219  2.7916  30.217    11.514    48.367    19.011    19.704    14.469    18.360  3.9806  12.078  3.9148  6.281877       5.583102 
1 1 1 6   -14 37 o 9.0327  2.6166  4.3574    10.175    -5.9612   17.713    9.4393    12.431    8.5555  3.8140  9.5099  3.5832  -0.9543343     5.233182 
1 1 1 6   -14 38 o 11.994  2.8601  19.434    11.054    11.696    18.324    23.862    13.861    11.052  4.3024  12.936  3.7696  -1.884109      5.720202 
1 1 1 6   -14 39 o 38.477  2.2102  202.203   22.236    229.321   35.362    184.469   28.597    40.502  3.2880  36.451  2.9544  4.050270       4.420349 
1 1 1 6   -14 40 o 8.0686  2.5358  -9.6383   10.192    7.6902    18.984    -16.6554  12.081    10.441  4.2714  5.6960  2.7341  4.745306       5.071542 
1 1 1 6   -14 41 o 38.096  2.5029  214.795   23.841    182.962   38.509    234.579   30.358    35.238  4.1602  40.954  2.7840  -5.716076      5.005823 
1 1 1 6   -14 42 o 20.737  3.0428  58.452    15.954    101.594   27.889    37.467    19.451    25.948  4.1528  15.527  4.4486  10.42107       6.085674 
1 1 1 6   -14 43 o 9.3530  2.8440  -1.3948   11.851    15.517    22.251    -8.0925   14.002    11.678  4.6794  7.0282  3.2335  4.649671       5.687908 
1 1 1 6   -14 44 o 46.198  2.4268  314.755   28.892    326.613   47.117    307.610   36.575    46.339  3.8305  46.057  2.9808  0.2820816      4.853664 
1 1 1 6   -14 45 o 11.894  3.1933  20.739    14.030    11.064    25.390    24.993    16.834    11.217  4.7864  12.571  4.2284  -1.354542      6.386577 
1 1 1 6   -14 46 o 15.436  3.5290  36.082    16.379    65.444    28.723    21.932    19.939    18.852  5.4073  12.021  4.5361  6.830902       7.057986 
1 1 1 6   -14 47 o 11.618  3.4047  12.219    15.534    38.318    30.643    3.1916    18.021    14.255  5.5597  8.9821  3.9317  5.272516       6.809474 
1 1 1 6   -14 48 o 14.751  3.7286  39.189    17.088    62.072    32.562    30.492    20.075    16.586  5.8672  12.915  4.6027  3.671483       7.457142 
1 1 1 6   -13 0  o 168.713 3.4110  3816.30   154.137   3793.52   218.356   3838.93   217.611   168.210 4.8465  169.215 4.8012  -1.005478      6.822017 
1 1 1 6   -13 1  f 229.764 4.3844  7082.38   269.812   7010.54   382.084   7153.84   381.060   228.600 6.2401  230.929 6.1606  -2.329498      8.768865 
1 1 1 6   -13 2  o 91.668  2.1997  1125.76   54.002    1152.55   76.706    1099.44   76.039    92.750  3.0876  90.587  3.1339  2.163010       4.399386 
1 1 1 6   -13 3  o 513.487 9.4858  35581.38  1304.02   34300.64  1843.50   36863.96  1844.82   504.169 13.651  522.804 13.174  -18.63477      18.97160 
1 1 1 6   -13 4  o 444.599 8.2667  26618.09  984.440   26684.96  1392.40   26551.25  1392.02   445.160 11.678  444.038 11.704  1.122162       16.53343 
1 1 1 6   -13 5  o 237.641 4.5322  7576.58   288.423   7751.46   407.913   7401.73   407.871   240.388 6.3353  234.894 6.4828  5.494339       9.064335 
1 1 1 6   -13 6  o 122.547 2.5779  2012.28   84.617    1999.09   119.389   2025.60   119.946   122.143 3.6493  122.951 3.6422  -0.8075104     5.155856 
1 1 1 6   -13 7  o 82.388  1.9889  910.134   43.772    826.917   61.476    995.703   62.339    78.564  2.9214  86.212  2.6996  -7.648209      3.977763 
1 1 1 6   -13 8  o 398.970 7.3399  21415.86  784.360   21476.88  1109.00   21354.80  1109.51   399.542 10.363  398.399 10.397  1.143219       14.67971 
1 1 1 6   -13 9  o 317.920 5.9266  13578.69  504.669   13519.85  713.408   13637.63  714.012   317.229 8.3961  318.611 8.3667  -1.382172      11.85310 
1 1 1 6   -13 10 o 194.049 3.7400  5049.64   194.389   5056.44   274.757   5042.82   275.058   194.180 5.2827  193.918 5.2956  0.2621918      7.480011 
1 1 1 6   -13 11 o 197.281 3.8152  5220.28   201.598   5261.51   285.204   5179.11   285.002   198.061 5.3761  196.502 5.4149  1.559143       7.630450 
1 1 1 6   -13 12 o 234.661 4.4949  7392.21   282.516   7342.93   399.845   7441.33   399.230   233.878 6.3828  235.444 6.3306  -1.566498      8.989847 
1 1 1 6   -13 13 o 118.263 2.5351  1874.47   80.297    1899.14   114.265   1850.41   112.863   119.031 3.5840  117.494 3.5863  1.536934       5.070131 
1 1 1 6   -13 14 o 150.382 3.0816  3033.29   124.116   3022.18   176.460   3044.16   174.608   150.108 4.3889  150.656 4.3270  -0.5480499     6.163240 
1 1 1 6   -13 15 o 229.810 4.3948  7099.07   270.487   7000.30   383.523   7196.81   381.539   228.212 6.2743  231.408 6.1556  -3.196625      8.789658 
1 1 1 6   -13 16 o 188.780 3.6933  4786.73   186.739   4864.36   265.341   4710.54   262.853   190.298 5.2057  187.262 5.2405  3.036697       7.386660 
1 1 1 6   -13 17 o 134.882 2.8805  2443.75   103.980   2352.35   147.989   2532.87   146.130   132.382 4.1736  137.382 3.9712  -5.000351      5.761004 
1 1 1 6   -13 18 o 247.624 4.7638  8268.00   315.962   8254.18   447.572   8281.74   446.106   247.413 6.7538  247.834 6.7203  -0.4210052     9.527685 
1 1 1 6   -13 19 f 72.080  2.0022  696.802   38.647    695.350   55.214    698.195   54.112    72.006  2.8628  72.155  2.7999  -0.1493530     4.004378 
1 1 1 6   -13 20 o 67.886  1.9647  618.143   35.722    613.302   50.741    622.899   50.297    67.621  2.8015  68.150  2.7554  -0.5286484     3.929485 
1 1 1 6   -13 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -13 22 o 35.817  1.9023  173.009   18.101    164.127   25.373    182.214   25.831    34.871  2.7386  36.763  2.6409  -1.891636      3.804518 
1 1 1 6   -13 23 o 104.113 2.4656  1456.23   68.742    1484.95   96.934    1427.17   97.500    105.150 3.4417  103.076 3.5315  2.074036       4.931225 
1 1 1 6   -13 24 o 127.243 2.8125  2177.35   95.842    2208.56   135.081   2145.73   136.006   128.167 3.9349  126.320 4.0197  1.847000       5.625061 
1 1 1 6   -13 25 o 169.589 3.4826  3876.21   158.189   3823.90   222.905   3929.28   224.530   168.433 4.9409  170.745 4.9095  -2.312195      6.965290 
1 1 1 6   -13 26 o 91.386  2.3501  1121.71   57.518    1105.67   80.578    1138.36   82.129    90.721  3.3160  92.051  3.3310  -1.330177      4.700192 
1 1 1 6   -13 27 f 187.476 3.8150  4750.34   191.565   4728.57   269.892   4772.45   271.948   187.046 5.3871  187.906 5.4033  -0.8606110     7.629927 
1 1 1 6   -13 28 o 89.988  2.3579  1088.81   56.818    1083.20   79.372    1094.71   81.371    89.753  3.3016  90.222  3.3672  -0.4680939     4.715805 
1 1 1 6   -13 29 o 46.644  2.7226  283.625   30.613    268.566   35.960    323.271   58.350    44.587  3.0291  48.701  4.5249  -4.114437      5.445156 
1 1 1 6   -13 30 o 37.601  3.0833  191.626   30.780    191.626   30.780    0.0000    0.0000    37.601  3.0833  ?       ?       ?              ?        
1 1 1 6   -13 31 f 89.349  4.7963  1089.61   114.366   1089.61   114.366   0.0000    0.0000    89.349  4.7963  ?       ?       ?              ?        
1 1 1 6   -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -13 33 o 52.269  2.6647  369.825   37.183    0.0000    0.0000    369.825   37.183    ?       ?       52.269  2.6647  ?              ?        
1 1 1 6   -13 34 o 44.660  2.6055  262.737   27.115    298.345   54.418    250.977   31.274    46.346  4.4379  42.974  2.7312  3.372791       5.211024 
1 1 1 6   -13 35 o 53.773  2.0414  393.698   29.077    392.719   44.047    394.455   38.710    53.617  3.0800  53.928  2.6799  -0.3107147     4.082712 
1 1 1 6   -13 36 o 17.840  2.7676  43.761    12.499    53.534    20.879    38.303    15.603    19.301  4.1611  16.378  3.6502  2.923433       5.535239 
1 1 1 6   -13 37 o 27.935  2.3296  107.947   16.733    111.806   26.656    105.438   21.496    28.247  3.6054  27.623  2.9510  0.6245041      4.659111 
1 1 1 6   -13 38 o 7.3670  2.3536  -5.5042   9.3175    -9.3090   16.629    -3.7632   11.249    7.8769  3.5859  6.8572  3.0493  1.019712       4.707130 
1 1 1 6   -13 39 f 39.376  2.2660  219.558   22.972    199.529   36.080    233.214   29.791    37.618  3.6257  41.134  2.7193  -3.515446      4.532087 
1 1 1 6   -13 40 o 53.068  2.2408  395.726   31.144    383.698   48.274    404.301   40.761    52.142  3.4764  53.993  2.8284  -1.850971      4.481652 
1 1 1 6   -13 41 o 26.832  2.7026  101.194   18.273    120.819   30.793    90.527    22.702    28.609  4.1387  25.054  3.4767  3.555332       5.405204 
1 1 1 6   -13 42 o 27.502  2.8881  115.565   19.304    104.720   32.420    121.522   24.028    25.882  4.8550  29.122  3.1295  -3.240412      5.776215 
1 1 1 6   -13 43 o 12.221  3.2280  19.470    13.335    24.821    24.165    17.127    15.990    13.218  4.9923  11.223  4.0935  1.994603       6.456038 
1 1 1 6   -13 44 o 12.869  3.3288  21.184    14.040    38.243    25.791    14.001    16.737    15.104  5.2302  10.633  4.1194  4.471762       6.657645 
1 1 1 6   -13 45 o 12.381  2.7131  -0.7282   12.251    60.297    23.400    -23.7702  14.379    19.000  4.6385  5.7618  2.8158  13.23832       5.426265 
1 1 1 6   -13 46 o 33.613  2.8811  176.378   23.906    187.525   41.297    170.759   29.317    33.521  4.7311  33.705  3.2894  -0.1844673     5.762247 
1 1 1 6   -13 47 o 26.007  3.4064  117.127   21.482    118.327   37.242    116.529   26.298    24.872  5.7108  27.142  3.7149  -2.269514      6.812789 
1 1 1 6   -13 48 o 11.159  3.3086  8.8720    15.122    42.057    29.732    -2.7084   17.564    14.225  5.4964  8.0932  3.6848  6.132115       6.617210 
1 1 1 6   -12 0  o 415.433 7.6963  23215.77  856.210   22667.18  1210.86   23764.37  1210.87   410.503 11.013  420.363 10.754  -9.860352      15.39259 
1 1 1 6   -12 1  o 97.449  2.3149  1272.96   60.388    1228.49   85.700    1316.82   85.105    95.757  3.3414  99.141  3.2049  -3.384323      4.629886 
1 1 1 6   -12 2  o 578.515 10.681  45176.08  1654.82   44394.20  2340.20   45958.06  2340.35   573.469 15.235  583.561 14.973  -10.09210      21.36128 
1 1 1 6   -12 3  o 418.908 7.7916  23598.87  874.234   23457.16  1236.52   23740.50  1236.19   417.646 11.054  420.171 10.984  -2.525696      15.58317 
1 1 1 6   -12 4  o 437.727 8.1199  25775.43  952.015   25743.31  1346.35   25807.55  1346.36   437.453 11.490  438.001 11.476  -0.5479126     16.23984 
1 1 1 6   -12 5  o 60.388  1.7996  490.250   28.849    410.552   40.399    573.185   41.211    55.360  2.7245  65.415  2.3521  -10.05451      3.599286 
1 1 1 6   -12 6  o 327.870 6.1018  14434.87  535.774   14131.11  757.151   14739.50  758.247   324.407 8.7137  331.333 8.5439  -6.926575      12.20357 
1 1 1 6   -12 7  o 412.860 7.6214  22921.23  842.801   23007.56  1191.65   22834.82  1192.16   413.641 10.756  412.079 10.801  1.562744       15.24284 
1 1 1 6   -12 8  o 164.925 3.2424  3645.68   143.215   3570.85   202.194   3721.02   202.881   163.226 4.6248  166.625 4.5458  -3.399124      6.484839 
1 1 1 6   -12 9  o 497.859 9.1277  33403.20  1217.15   33706.55  1721.38   33099.91  1721.22   500.134 12.850  495.585 12.967  4.548889       18.25537 
1 1 1 6   -12 10 o 157.635 3.1493  3330.72   132.951   3396.46   188.097   3265.09   187.945   159.190 4.4114  156.079 4.4957  3.111313       6.298552 
1 1 1 6   -12 11 o 559.192 10.406  42260.35  1558.67   42212.95  2204.57   42307.73  2204.01   558.875 14.727  559.509 14.707  -0.6340942     20.81300 
1 1 1 6   -12 12 o 338.703 6.3733  15421.92  578.165   15270.76  818.220   15572.65  817.079   337.038 9.0636  340.367 8.9624  -3.329437      12.74656 
1 1 1 6   -12 13 o 195.910 3.8173  5148.08   200.300   5122.78   284.194   5173.05   282.348   195.430 5.4292  196.390 5.3676  -0.9599762     7.634577 
1 1 1 6   -12 14 o 96.811  2.2254  1255.44   57.693    1278.72   82.686    1233.36   80.536    97.685  3.1602  95.937  3.1341  1.747765       4.450824 
1 1 1 6   -12 15 o 207.083 3.9911  5756.82   221.359   5720.00   314.172   5793.12   311.938   206.422 5.6823  207.744 5.6060  -1.321609      7.982178 
1 1 1 6   -12 16 o 171.490 3.4180  3946.72   156.994   3945.96   222.924   3947.47   221.133   171.472 4.8537  171.507 4.8137  -0.3573608E-01 6.835987 
1 1 1 6   -12 17 o 308.648 5.8093  12852.36  480.202   13092.21  679.911   12613.64  678.308   311.539 8.1480  305.756 8.2825  5.783478       11.61852 
1 1 1 6   -12 18 o 207.411 4.0425  5786.14   224.578   5778.61   317.841   5793.65   317.362   207.275 5.7250  207.547 5.7089  -0.2720032     8.084955 
1 1 1 6   -12 19 o 66.776  1.9498  597.912   34.871    591.068   49.401    604.708   49.229    66.394  2.7779  67.157  2.7368  -0.7628479     3.899567 
1 1 1 6   -12 20 o 181.412 3.6343  4428.16   176.589   4466.43   249.655   4389.84   249.814   182.200 5.1157  180.623 5.1636  1.576675       7.268625 
1 1 1 6   -12 21 o 166.876 4.1248  3744.46   174.367   3724.01   214.021   3784.81   300.709   166.378 4.8025  167.373 6.7077  -0.9948273     8.249690 
1 1 1 6   -12 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -12 23 o 160.716 3.3255  3476.75   143.133   3396.60   201.666   3558.10   203.184   158.843 4.7400  162.589 4.6656  -3.745316      6.650979 
1 1 1 6   -12 24 o 48.266  1.9894  313.722   25.597    316.265   35.791    311.059   36.624    48.471  2.7682  48.061  2.8579  0.4100571      3.978762 
1 1 1 6   -12 25 o 60.606  2.0985  493.838   33.981    499.318   47.310    487.997   48.839    60.994  2.8958  60.217  3.0379  0.7779961      4.196959 
1 1 1 6   -12 26 o 170.875 3.5266  3936.80   161.399   3929.47   227.134   3944.28   229.389   170.719 4.9672  171.031 5.0073  -0.3122101     7.053120 
1 1 1 6   -12 27 o 23.726  2.8032  81.197    16.547    107.901   22.911    52.082    23.923    28.177  3.0862  19.275  4.6804  8.902069       5.606324 
1 1 1 6   -12 28 o 21.576  2.8113  64.263    15.584    52.453    21.259    77.980    22.912    19.360  4.2190  23.793  3.7167  -4.433550      5.622612 
1 1 1 6   -12 29 o 28.110  2.4703  108.370   18.113    113.639   24.936    102.486   26.352    28.880  3.2819  27.341  3.6930  1.539211       4.940568 
1 1 1 6   -12 30 f 106.584 3.6393  1532.16   103.895   1532.16   103.895   0.0000    0.0000    106.584 3.6393  ?       ?       ?              ?        
1 1 1 6   -12 31 o 136.435 4.2775  2523.59   156.315   2523.59   156.315   0.0000    0.0000    136.435 4.2775  ?       ?       ?              ?        
1 1 1 6   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -12 33 o 95.683  3.2940  1240.71   84.419    0.0000    0.0000    1240.71   84.419    ?       ?       95.683  3.2940  ?              ?        
1 1 1 6   -12 34 o 19.912  3.4184  55.414    17.575    0.0000    0.0000    55.414    17.575    ?       ?       19.912  3.4184  ?              ?        
1 1 1 6   -12 35 o 18.828  2.6803  47.336    12.753    65.198    21.194    37.198    15.967    21.498  3.8208  16.158  3.7599  5.339245       5.360517 
1 1 1 6   -12 36 o 30.606  2.2545  132.107   17.670    114.126   27.086    145.431   23.315    28.605  3.6159  32.607  2.6937  -4.001614      4.508976 
1 1 1 6   -12 37 o 22.062  2.6215  67.097    14.605    77.550    23.868    60.841    18.465    23.349  3.9579  20.774  3.4388  2.574387       5.243097 
1 1 1 6   -12 38 o 37.030  2.2123  188.572   21.385    196.790   33.645    183.002   27.700    37.608  3.3759  36.451  2.8601  1.156929       4.424623 
1 1 1 6   -12 39 o 31.712  2.4633  146.474   19.435    122.188   31.135    161.979   24.877    29.169  4.0982  34.255  2.7342  -5.085833      4.926524 
1 1 1 6   -12 40 o 38.347  2.2693  201.141   22.659    233.527   36.585    180.985   28.862    40.704  3.3863  35.990  3.0220  4.713814       4.538691 
1 1 1 6   -12 41 o 12.661  3.2244  19.476    13.600    30.001    22.785    13.651    16.951    14.372  4.9188  10.950  4.1703  3.421627       6.448736 
1 1 1 6   -12 42 o 24.009  3.0091  86.816    17.604    88.670    30.510    85.891    21.554    23.715  4.9625  24.303  3.4046  -0.5875149     6.018135 
1 1 1 6   -12 43 o 10.284  2.9975  2.7496    12.439    23.740    23.665    -5.2644   14.623    13.039  4.9366  7.5286  3.4016  5.510346       5.995060 
1 1 1 6   -12 44 o 20.667  3.1697  68.090    16.272    70.759    28.183    66.755    19.930    20.412  5.1538  20.921  3.6915  -0.5085678     6.339451 
1 1 1 6   -12 45 o 13.760  3.4504  30.422    15.317    31.035    27.338    30.142    18.492    13.887  5.2943  13.633  4.4262  0.2539396      6.900800 
1 1 1 6   -12 46 o 14.430  3.5202  35.667    15.975    33.447    29.439    36.594    19.018    14.078  5.4609  14.782  4.4436  -0.7030210     7.040399 
1 1 1 6   -12 47 o 20.048  3.6514  70.203    18.738    85.932    33.267    62.894    22.677    20.945  5.7534  19.151  4.4976  1.793903       7.302735 
1 1 1 6   -12 48 o 15.864  3.7542  43.715    17.189    75.516    33.200    32.068    20.091    18.497  5.9232  13.230  4.6142  5.267036       7.508365 
1 1 1 6   -11 0  o 421.633 7.7655  23899.36  876.969   23758.39  1240.58   24040.17  1239.86   420.385 11.018  422.881 10.946  -2.496033      15.53092 
1 1 1 6   -11 1  o 225.262 4.3299  6804.08   261.234   6732.44   369.921   6875.35   368.963   224.078 6.1634  226.447 6.0831  -2.369186      8.659801 
1 1 1 6   -11 2  o 443.069 8.2017  26401.46  973.328   26267.36  1376.85   26535.42  1376.14   441.939 11.631  444.199 11.566  -2.259705      16.40340 
1 1 1 6   -11 3  o 174.907 3.4770  4100.21   162.888   4136.55   230.490   4063.96   230.227   175.682 4.8982  174.132 4.9361  1.549377       6.953982 
1 1 1 6   -11 4  o 344.359 6.3907  15925.23  589.268   16394.45  833.628   15456.63  833.073   349.443 8.9065  339.276 9.1673  10.16708       12.78142 
1 1 1 6   -11 5  o 402.052 7.4007  21724.89  796.894   21351.62  1126.44   22098.88  1127.52   398.583 10.551  405.521 10.381  -6.937775      14.80146 
1 1 1 6   -11 6  o 487.355 8.9596  31973.06  1169.55   31828.77  1653.58   32117.49  1654.40   486.250 12.696  488.460 12.645  -2.210541      17.91916 
1 1 1 6   -11 7  o 247.378 4.6769  8207.55   309.871   8084.93   437.862   8330.58   438.587   245.525 6.6581  249.232 6.5700  -3.706802      9.353892 
1 1 1 6   -11 8  o 154.641 3.0554  3204.78   126.548   3242.27   178.817   3167.16   179.116   155.548 4.2920  153.734 4.3499  1.813614       6.110840 
1 1 1 6   -11 9  o 272.224 5.0849  9942.87   370.714   10139.43  524.424   9746.54   524.113   274.918 7.1218  269.530 7.2599  5.388123       10.16984 
1 1 1 6   -11 10 o 237.555 4.5345  7569.02   288.490   7719.62   408.471   7419.13   407.503   239.916 6.3564  235.195 6.4687  4.721725       9.069044 
1 1 1 6   -11 11 o 293.276 5.5105  11544.77  432.863   11625.13  612.969   11464.84  611.357   294.296 7.7762  292.257 7.8098  2.038757       11.02098 
1 1 1 6   -11 12 o 271.952 5.1478  9926.27   374.947   9816.58   531.165   10035.21  529.351   270.451 7.3325  273.454 7.2272  -3.003357      10.29555 
1 1 1 6   -11 13 o 221.041 4.2288  6553.79   250.356   6530.37   355.213   6576.90   352.912   220.646 6.0104  221.435 5.9502  -0.7881317     8.457528 
1 1 1 6   -11 14 o 201.588 3.9188  5450.34   211.581   5536.87   300.425   5365.19   298.030   203.177 5.5204  200.000 5.5634  3.177124       7.837529 
1 1 1 6   -11 15 o 116.939 2.5538  1832.47   79.972    1887.41   113.847   1778.96   112.364   118.669 3.5817  115.208 3.6413  3.461159       5.107618 
1 1 1 6   -11 16 o 211.294 4.0908  5993.68   231.512   6055.21   327.819   5932.46   326.998   212.378 5.7628  210.210 5.8077  2.167465       8.181649 
1 1 1 6   -11 17 o 175.215 3.4797  4120.76   163.298   4075.19   230.991   4166.29   230.885   174.244 4.9493  176.186 4.8926  -1.941360      6.959383 
1 1 1 6   -11 18 o 79.834  2.0867  854.397   44.620    854.771   63.136    854.024   63.067    79.851  2.9519  79.816  2.9500  0.3483582E-01  4.173320 
1 1 1 6   -11 19 o 130.150 2.7985  2273.45   97.558    2262.08   137.664   2284.92   138.273   129.823 3.9589  130.477 3.9565  -0.6539917     5.597071 
1 1 1 6   -11 20 o 117.966 2.6312  1868.31   83.119    1907.82   117.237   1828.37   117.862   119.224 3.6712  116.708 3.7704  2.516006       5.262485 
1 1 1 6   -11 21 o 36.884  1.8696  183.426   18.341    187.450   25.810    179.321   26.068    37.298  2.5997  36.469  2.6876  0.8296394      3.739244 
1 1 1 6   -11 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -11 23 o 70.115  2.0536  659.179   38.553    636.475   53.784    683.172   55.291    68.873  2.9155  71.356  2.8929  -2.482872      4.107202 
1 1 1 6   -11 24 f 195.559 3.8974  5158.77   204.145   5135.23   287.754   5182.62   289.665   195.112 5.5062  196.007 5.5174  -0.8954315     7.794853 
1 1 1 6   -11 25 o 76.222  2.1767  780.264   44.414    792.124   62.070    767.821   63.577    76.819  3.0166  75.625  3.1387  1.194763       4.353355 
1 1 1 6   -11 26 o 63.564  2.1596  544.211   36.620    565.351   50.809    521.360   52.827    64.899  2.9229  62.229  3.1800  2.669643       4.319212 
1 1 1 6   -11 27 o 71.742  2.2123  694.862   42.276    763.067   59.014    622.959   60.592    75.390  2.9225  68.093  3.3222  7.296570       4.424661 
1 1 1 6   -11 28 o 81.560  2.2296  898.374   48.455    825.306   70.155    965.028   67.005    78.356  3.3427  84.764  2.9513  -6.408195      4.459133 
1 1 1 6   -11 29 o 53.680  2.1012  398.933   29.241    313.841   43.311    470.203   39.638    48.181  3.3774  59.179  2.5007  -10.99729      4.202429 
1 1 1 6   -11 30 o 112.552 3.7650  1708.84   113.503   1708.84   113.503   0.0000    0.0000    112.552 3.7650  ?       ?       ?              ?        
1 1 1 6   -11 31 o 58.365  3.0582  460.190   47.643    460.190   47.643    0.0000    0.0000    58.365  3.0582  ?       ?       ?              ?        
1 1 1 6   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -11 33 o 58.107  2.7303  455.755   42.494    0.0000    0.0000    455.755   42.494    ?       ?       58.107  2.7303  ?              ?        
1 1 1 6   -11 34 o 65.511  2.8214  580.965   49.507    0.0000    0.0000    580.965   49.507    ?       ?       65.511  2.8214  ?              ?        
1 1 1 6   -11 35 o 46.797  2.0470  294.184   25.277    328.840   39.264    269.653   33.034    49.095  3.0002  44.499  2.7855  4.595943       4.093969 
1 1 1 6   -11 36 o 35.478  2.1187  169.602   19.664    191.196   31.116    155.245   25.372    37.293  3.1444  33.663  2.8405  3.630104       4.237438 
1 1 1 6   -11 37 o 22.413  2.6127  68.853    14.831    82.067    24.129    60.831    18.801    24.069  3.8743  20.758  3.5064  3.311117       5.225429 
1 1 1 6   -11 38 o 38.099  2.1635  195.190   21.588    236.767   34.076    167.318   27.900    41.404  3.0951  34.795  3.0238  6.609291       4.327000 
1 1 1 6   -11 39 f 65.499  2.2434  592.116   38.890    608.553   59.641    579.958   51.294    66.110  3.3794  64.889  2.9513  1.220383       4.486710 
1 1 1 6   -11 40 o 8.5027  2.6381  -1.7200   10.615    -0.3390   19.468    -2.3043   12.663    9.5274  4.1295  7.4781  3.2840  2.049293       5.276121 
1 1 1 6   -11 41 o 43.448  2.3394  260.766   26.503    303.205   42.834    234.439   33.737    46.114  3.4938  40.782  3.1120  5.332905       4.678836 
1 1 1 6   -11 42 o 13.251  3.2652  25.290    13.823    23.604    23.929    26.135    16.934    13.256  4.9761  13.245  4.2291  0.1171875E-01  6.530465 
1 1 1 6   -11 43 o 14.260  3.3643  30.546    14.208    35.296    25.925    28.507    16.987    14.925  5.2394  13.596  4.2217  1.329056       6.728614 
1 1 1 6   -11 44 o 29.592  2.7426  125.532   20.319    163.689   35.525    106.982   24.770    32.477  4.1809  26.708  3.5506  5.769350       5.485181 
1 1 1 6   -11 45 o 11.056  3.1753  11.462    13.647    24.048    25.044    6.1461    16.275    12.844  5.0216  9.2679  3.8874  3.576517       6.350516 
1 1 1 6   -11 46 o 28.365  3.1116  128.703   21.685    136.762   37.060    124.507   26.740    28.223  5.0898  28.508  3.5809  -0.2850208     6.223273 
1 1 1 6   -11 47 o 8.8087  4.1453  -13.3593  25.149    -13.3593  25.149    0.0000    0.0000    8.8087  4.1453  ?       ?       ?              ?        
1 1 1 6   -11 48 o 12.069  3.4757  17.844    15.621    46.463    31.521    8.5273    17.984    14.685  5.6634  9.4535  4.0310  5.231455       6.951472 
1 1 1 6   -10 0  o 349.956 6.5255  16445.81  611.557   16095.58  864.983   16795.86  864.763   346.220 9.3275  353.691 9.1282  -7.471069      13.05091 
1 1 1 6   -10 1  o 384.269 7.1683  19841.83  737.575   19280.58  1043.22   20402.79  1042.95   378.817 10.282  389.720 9.9913  -10.90350      14.33655 
1 1 1 6   -10 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 8  o 580.614 15.340  45862.29  2382.94   48360.89  3370.54   43365.34  3369.43   596.674 21.090  564.554 22.282  32.11945       30.68039 
1 1 1 6   -10 9  o 399.397 7.4200  21440.46  793.732   21184.73  1122.66   21696.06  1122.36   397.007 10.557  401.787 10.429  -4.780151      14.84002 
1 1 1 6   -10 10 f 132.722 2.7465  2360.10   97.632    2376.00   138.879   2344.57   137.279   133.163 3.8937  132.280 3.8745  0.8833771      5.492998 
1 1 1 6   -10 11 o 430.368 7.9460  24912.30  915.960   24904.06  1296.42   24920.51  1294.31   430.295 11.248  430.441 11.226  -0.1457520     15.89201 
1 1 1 6   -10 12 o 158.099 3.1822  3351.06   134.707   3281.46   191.615   3419.08   189.413   156.473 4.5719  159.724 4.4274  -3.251144      6.364321 
1 1 1 6   -10 13 o 362.646 6.7237  17674.54  653.098   17690.45  924.612   17658.71  922.632   362.808 9.5147  362.484 9.5028  0.3240356      13.44739 
1 1 1 6   -10 14 o 128.175 2.7249  2202.47   93.513    2142.30   132.712   2261.79   131.788   126.435 3.9188  129.916 3.7873  -3.480965      5.449808 
1 1 1 6   -10 15 o 278.725 5.2517  10433.12  392.069   10399.56  554.618   10466.64  554.321   278.275 7.4410  279.174 7.4131  -0.8990479     10.50342 
1 1 1 6   -10 16 o 158.476 3.2140  3367.96   136.415   3425.07   192.986   3310.94   192.853   159.821 4.5082  157.132 4.5822  2.688721       6.428091 
1 1 1 6   -10 17 o 174.742 3.4951  4097.17   163.583   4072.27   231.074   4122.19   231.611   174.210 4.9521  175.275 4.9334  -1.065842      6.990149 
1 1 1 6   -10 18 o 301.085 5.6760  12218.71  457.721   12060.67  646.716   12377.35  647.916   299.124 8.0719  303.047 7.9822  -3.923309      11.35208 
1 1 1 6   -10 19 o 222.257 4.3233  6647.23   257.347   6733.81   363.351   6560.08   364.539   223.718 6.0637  220.796 6.1640  2.921646       8.646583 
1 1 1 6   -10 20 o 192.482 3.8158  4983.46   196.716   4911.32   277.413   5056.42   278.991   191.077 5.4204  193.887 5.3722  -2.809525      7.631580 
1 1 1 6   -10 21 o 67.697  2.0030  615.307   36.278    637.893   50.792    591.785   51.833    68.969  2.7495  66.424  2.9133  2.544754       4.005915 
1 1 1 6   -10 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 23 o 126.060 2.7861  2137.22   93.985    2227.17   132.251   2045.44   133.589   128.753 3.8349  123.367 4.0428  5.386253       5.572300 
1 1 1 6   -10 24 f 43.618  1.9550  256.067   22.714    247.455   31.625    265.242   32.644    42.858  2.7697  44.379  2.7599  -1.520702      3.910056 
1 1 1 6   -10 25 o 104.360 2.5206  1463.26   70.445    1470.65   98.869    1455.64   100.396   104.631 3.5279  104.089 3.6010  0.5419922      5.041138 
1 1 1 6   -10 26 o 168.174 3.3961  3808.89   152.917   3961.85   218.369   3661.71   214.207   171.496 4.7539  164.852 4.8512  6.643951       6.792190 
1 1 1 6   -10 27 o 139.864 2.9890  2633.91   111.918   2600.98   160.288   2665.23   156.337   138.997 4.3053  140.730 4.1475  -1.732590      5.978085 
1 1 1 6   -10 28 o 117.395 2.6446  1852.63   83.115    1896.56   119.894   1811.98   115.323   118.729 3.7701  116.060 3.7097  2.668976       5.289204 
1 1 1 6   -10 29 o 39.477  2.0183  207.908   21.058    233.995   32.091    188.183   27.906    41.632  2.8959  37.323  2.8121  4.309109       4.036604 
1 1 1 6   -10 30 o 127.111 2.8339  2182.14   96.393    2153.63   138.840   2208.68   133.933   126.285 4.1046  127.938 3.9084  -1.653351      5.667782 
1 1 1 6   -10 31 o 52.184  3.0637  368.094   42.636    368.094   42.636    0.0000    0.0000    52.184  3.0637  ?       ?       ?              ?        
1 1 1 6   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 33 o 19.688  3.2954  53.871    16.764    0.0000    0.0000    53.871    16.764    ?       ?       19.688  3.2954  ?              ?        
1 1 1 6   -10 34 o 76.015  2.9812  783.036   60.698    0.0000    0.0000    783.036   60.698    ?       ?       76.015  2.9812  ?              ?        
1 1 1 6   -10 35 o 12.364  3.4176  8.3950    11.826    30.168    32.781    5.1372    12.680    15.943  5.8542  8.7847  3.5281  7.158768       6.835108 
1 1 1 6   -10 36 o 62.797  2.1689  541.902   35.962    514.961   54.431    562.772   47.907    61.258  3.3299  64.335  2.7801  -3.077332      4.337851 
1 1 1 6   -10 37 o 31.667  2.2263  132.684   18.212    170.889   29.723    109.720   23.044    35.180  3.1890  28.154  3.1075  7.026062       4.452676 
1 1 1 6   -10 38 o 22.703  2.7445  76.146    15.341    63.801    24.891    83.707    19.481    20.879  4.5771  24.527  3.0297  -3.648140      5.488966 
1 1 1 6   -10 39 o 39.877  2.3096  224.673   23.642    208.059   37.639    235.500   30.384    38.414  3.7041  41.340  2.7599  -2.925980      4.619239 
1 1 1 6   -10 40 o 27.800  3.5612  115.273   24.660    112.248   30.873    120.603   40.985    27.694  4.3016  27.905  5.6766  -0.2114964     7.122320 
1 1 1 6   -10 41 o 16.112  3.3414  39.147    14.831    40.212    25.622    38.609    18.187    16.212  5.2048  16.011  4.1917  0.2012043      6.682878 
1 1 1 6   -10 42 o 17.418  3.3044  44.348    15.180    60.774    26.124    35.974    18.652    19.544  4.9771  15.292  4.3478  4.252099       6.608701 
1 1 1 6   -10 43 o 20.565  3.2454  61.584    16.536    86.747    29.726    50.307    19.899    23.177  4.9394  17.952  4.2111  5.224615       6.490841 
1 1 1 6   -10 44 o 12.962  2.9344  26.032    14.385    -12.5076  26.068    42.906    17.249    9.3642  4.3448  16.559  3.9452  -7.194816      5.868699 
1 1 1 6   -10 45 o 9.6428  2.8057  5.3797    13.209    -30.4869  25.777    18.151    15.382    8.0891  3.9101  11.197  4.0248  -3.107575      5.611444 
1 1 1 6   -10 46 o 17.667  3.6511  53.320    17.235    62.181    32.082    49.726    20.434    18.039  5.8276  17.295  4.4003  0.7436638      7.302260 
1 1 1 6   -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -10 48 o 7.8609  2.6809  -13.6633  13.502    -12.9502  29.080    -13.8593  15.245    9.1683  4.3567  6.5534  3.1255  2.614845       5.361875 
1 1 1 6   -9  0  o 129.357 3.9304  2246.55   135.967   2131.83   194.026   2357.25   190.594   126.103 5.7444  132.611 5.3659  -6.508263      7.860739 
1 1 1 6   -9  1  o 507.981 9.3348  34751.72  1269.92   34064.10  1795.91   35439.38  1795.96   502.927 13.332  513.035 13.070  -10.10770      18.66953 
1 1 1 6   -9  2  o 439.789 8.1720  26023.35  962.034   24950.69  1359.99   27097.69  1361.06   430.676 11.789  448.901 11.320  -18.22482      16.34408 
1 1 1 6   -9  3  o 336.284 6.2076  15186.41  558.922   15685.93  790.779   14687.76  790.093   341.825 8.6370  330.744 8.9186  11.08099       12.41528 
1 1 1 6   -9  4  o 318.661 5.9135  13630.86  504.702   13812.37  713.625   13449.22  713.888   320.788 8.3054  316.533 8.4202  4.254913       11.82708 
1 1 1 6   -9  5  o 276.581 5.1711  10263.11  383.064   10383.02  541.501   10142.99  541.968   278.201 7.2669  274.961 7.3589  3.240540       10.34223 
1 1 1 6   -9  6  o 617.665 11.343  51530.88  1876.14   52942.46  2654.13   50121.11  2652.41   626.190 15.824  609.140 16.257  17.05023       22.68686 
1 1 1 6   -9  7  o 340.593 6.3180  15577.22  576.316   15840.51  815.173   15314.11  814.895   343.478 8.8606  337.708 9.0089  5.769836       12.63604 
1 1 1 6   -9  8  o 544.594 10.010  39984.73  1459.76   39002.77  2064.01   40967.44  2064.81   537.860 14.327  551.328 13.982  -13.46735      20.01917 
1 1 1 6   -9  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -9  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -9  11 o 315.126 5.8875  13329.92  496.932   13273.29  703.852   13386.19  701.688   314.456 8.3566  315.796 8.2956  -1.339752      11.77501 
1 1 1 6   -9  12 o 262.545 4.9657  9249.72   349.058   8961.92   494.163   9536.31   493.124   258.461 7.1382  266.629 6.9049  -8.168945      9.931332 
1 1 1 6   -9  13 o 74.113  1.9910  735.722   39.504    768.093   56.264    704.248   55.479    75.721  2.7741  72.505  2.8567  3.215881       3.982043 
1 1 1 6   -9  14 o 343.820 6.4197  15883.96  591.143   16145.05  836.200   15623.11  835.806   346.654 9.0059  340.987 9.1512  5.667023       12.83941 
1 1 1 6   -9  15 o 444.624 8.2187  26636.52  978.766   26777.58  1384.07   26495.41  1384.30   445.809 11.591  443.439 11.655  2.369751       16.43734 
1 1 1 6   -9  16 o 182.831 3.6224  4482.98   177.385   4435.71   250.387   4530.62   251.338   181.862 5.1402  183.799 5.1054  -1.937256      7.244744 
1 1 1 6   -9  17 o 107.332 2.4544  1543.92   70.545    1498.59   99.190    1590.31   100.352   105.737 3.5023  108.927 3.4395  -3.189430      4.908805 
1 1 1 6   -9  18 o 309.496 5.8351  12906.13  483.717   12824.74  683.341   12987.86  684.820   308.514 8.2694  310.478 8.2349  -1.963684      11.67030 
1 1 1 6   -9  19 o 170.088 3.4329  3884.84   156.392   3874.54   220.478   3895.26   221.872   169.862 4.8460  170.314 4.8637  -0.4517365     6.865763 
1 1 1 6   -9  20 f 153.954 3.1989  3184.32   131.876   3255.63   185.928   3112.13   187.079   155.696 4.4584  152.213 4.5886  3.482605       6.397884 
1 1 1 6   -9  21 o 36.931  1.8435  183.651   18.098    172.295   25.255    195.638   25.948    35.748  2.6566  38.114  2.5565  -2.365597      3.686903 
1 1 1 6   -9  22 o 19.312  2.8518  55.427    13.497    62.469    16.473    41.044    23.541    21.378  2.9559  17.247  4.8779  4.131424       5.703576 
1 1 1 6   -9  23 o 87.872  4.5456  1041.34   106.620   1041.34   106.620   0.0000    0.0000    87.872  4.5456  ?       ?       ?              ?        
1 1 1 6   -9  24 o 119.701 2.6858  1928.56   85.960    1833.99   123.076   2018.63   120.110   116.816 3.9335  122.585 3.6581  -5.768456      5.371607 
1 1 1 6   -9  25 o 56.139  1.9561  424.096   29.256    414.490   42.905    432.444   39.998    55.501  2.8962  56.777  2.6301  -1.276138      3.912217 
1 1 1 6   -9  26 o 97.368  2.3665  1271.58   61.667    1314.48   89.461    1232.73   85.122    98.928  3.3762  95.807  3.3171  3.120735       4.733021 
1 1 1 6   -9  27 o 144.901 3.0867  2829.31   119.681   2747.71   171.450   2906.86   167.140   142.841 4.4812  146.961 4.2461  -4.119995      6.173361 
1 1 1 6   -9  28 o 68.091  2.0654  622.226   37.559    627.340   55.374    617.869   51.113    68.343  3.0250  67.838  2.8130  0.5046158      4.130822 
1 1 1 6   -9  29 o 98.452  2.4147  1304.09   63.594    1300.27   92.235    1307.56   87.799    98.303  3.5030  98.602  3.3244  -0.2983627     4.829355 
1 1 1 6   -9  30 o 104.301 2.5062  1465.43   69.935    1474.76   101.513   1457.00   96.485    104.603 3.6232  104.000 3.4637  0.6035309      5.012437 
1 1 1 6   -9  31 f 50.329  3.0968  342.510   41.544    342.510   41.544    0.0000    0.0000    50.329  3.0968  ?       ?       ?              ?        
1 1 1 6   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -9  33 f 66.588  4.4162  608.300   78.317    608.300   78.317    0.0000    0.0000    66.588  4.4162  ?       ?       ?              ?        
1 1 1 6   -9  34 o 51.686  2.7081  362.220   37.360    0.0000    0.0000    362.220   37.360    ?       ?       51.686  2.7081  ?              ?        
1 1 1 6   -9  35 o 41.014  2.7183  217.618   24.961    261.758   53.520    205.348   28.218    43.202  4.7010  38.827  2.7307  4.375252       5.436569 
1 1 1 6   -9  36 f 23.756  2.7009  85.506    15.415    58.906    24.665    102.555   19.746    20.169  4.6595  27.343  2.7329  -7.173761      5.401799 
1 1 1 6   -9  37 o 31.971  2.3057  143.812   18.757    131.796   29.954    151.565   24.059    30.688  3.7202  33.255  2.7250  -2.567383      4.611413 
1 1 1 6   -9  38 o 27.011  2.4310  100.459   16.816    110.919   27.214    93.997    21.388    28.046  3.7141  25.977  3.1375  2.068617       4.861968 
1 1 1 6   -9  39 o 39.498  2.3240  220.960   23.521    202.806   37.459    232.777   30.222    37.900  3.7387  41.096  2.7617  -3.195808      4.648047 
1 1 1 6   -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -9  41 o 15.535  3.3632  35.326    14.821    42.251    24.893    31.523    18.447    16.553  5.1058  14.517  4.3791  2.036028       6.726457 
1 1 1 6   -9  42 o 23.206  2.9572  76.577    16.990    99.762    29.559    65.139    20.762    25.531  4.4862  20.882  3.8541  4.649403       5.914369 
1 1 1 6   -9  43 o 19.624  3.2837  55.873    16.119    81.652    29.118    44.481    19.356    22.428  4.9772  16.820  4.2845  5.608118       6.567335 
1 1 1 6   -9  44 o 17.936  3.4359  50.985    15.866    60.829    29.166    46.848    18.908    18.672  5.4759  17.200  4.1516  1.471998       6.871774 
1 1 1 6   -9  45 o 10.860  3.2044  10.802    14.133    14.642    27.140    9.3731    16.555    11.907  5.0085  9.8122  3.9985  2.094789       6.408860 
1 1 1 6   -9  46 o 11.375  2.9463  14.569    15.256    -36.9398  28.679    34.898    18.017    8.2293  4.0118  14.521  4.3160  -6.291426      5.892576 
1 1 1 6   -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -8  0  o 276.948 5.2349  10292.34  388.174   10642.03  549.581   9944.23   548.344   281.651 7.2850  272.245 7.5198  9.405762       10.46990 
1 1 1 6   -8  1  o 280.540 5.3034  10559.78  398.487   10693.21  564.131   10426.90  562.962   282.312 7.4604  278.769 7.5396  3.542969       10.60672 
1 1 1 6   -8  2  o 179.540 3.5258  4320.61   169.549   4291.45   239.911   4349.70   239.647   178.934 5.0058  180.145 4.9666  -1.211563      7.051572 
1 1 1 6   -8  3  o 543.640 10.003  39863.01  1455.39   41698.97  2059.48   38031.50  2056.98   556.231 13.823  531.049 14.461  25.18201       20.00530 
1 1 1 6   -8  4  o 52.242  1.5695  365.465   21.956    354.002   30.789    377.326   31.318    51.409  2.2360  53.075  2.2030  -1.666687      3.138937 
1 1 1 6   -8  5  o 356.923 6.5713  17111.34  628.191   17323.16  888.282   16899.40  888.510   359.140 9.2342  354.707 9.3520  4.432892       13.14267 
1 1 1 6   -8  6  o 218.920 4.1621  6425.92   244.054   6400.55   345.044   6451.31   345.244   218.487 5.8960  219.353 5.8762  -0.8655853     8.324209 
1 1 1 6   -8  7  o 258.708 4.8364  8977.56   335.133   8980.41   474.334   8974.72   473.566   258.749 6.8441  258.668 6.8352  0.8151245E-01  9.672702 
1 1 1 6   -8  8  o 580.494 10.702  45472.55  1663.90   44961.27  2353.57   45983.43  2352.66   577.206 15.223  583.782 15.046  -6.575745      21.40391 
1 1 1 6   -8  9  o 140.502 2.8555  2646.00   107.428   2598.86   152.928   2691.91   150.943   139.265 4.0997  141.739 3.9759  -2.473679      5.711018 
1 1 1 6   -8  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -8  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -8  12 o 98.190  2.2876  1291.68   60.159    1308.18   85.112    1275.20   85.044    98.817  3.2157  97.563  3.2544  1.254181       4.575130 
1 1 1 6   -8  13 o 127.330 2.7481  2174.64   93.578    2316.00   132.378   2033.44   132.299   131.472 3.7592  123.187 4.0096  8.285042       5.496227 
1 1 1 6   -8  14 o 271.368 5.1288  9881.52   372.788   9823.83   526.729   9939.43   527.676   270.574 7.2680  272.163 7.2385  -1.589417      10.25764 
1 1 1 6   -8  15 o 489.844 9.0566  32359.72  1187.91   31430.39  1678.65   33291.95  1681.27   482.753 12.982  496.936 12.631  -14.18307      18.11310 
1 1 1 6   -8  16 o 234.622 4.4979  7386.87   282.649   7292.66   399.090   7481.69   400.364   233.118 6.3915  236.125 6.3303  -3.006439      8.995799 
1 1 1 6   -8  17 o 221.438 4.2984  6582.11   254.940   6517.48   359.942   6647.17   361.139   220.346 6.0987  222.531 6.0589  -2.184937      8.596800 
1 1 1 6   -8  18 o 286.151 5.4196  11018.91  415.387   10979.78  586.870   11058.20  588.023   285.641 7.6706  286.662 7.6583  -1.020508      10.83924 
1 1 1 6   -8  19 o 238.106 4.5956  7627.22   293.087   7626.90   413.908   7627.54   415.071   238.102 6.4901  238.109 6.5081  -0.6881714E-02 9.191153 
1 1 1 6   -8  20 o 218.315 4.2624  6414.74   249.239   6459.25   351.903   6369.93   353.054   219.080 5.9969  217.549 6.0589  1.531067       8.524896 
1 1 1 6   -8  21 o 68.777  1.9492  632.797   35.779    712.304   51.900    560.791   49.391    72.888  2.6584  64.667  2.8515  8.220383       3.898474 
1 1 1 6   -8  22 o 195.184 3.8346  5130.37   200.454   5100.16   284.952   5159.97   282.039   194.607 5.4667  195.762 5.3789  -1.155014      7.669226 
1 1 1 6   -8  23 o 109.851 4.8493  1623.94   142.682   0.0000    0.0000    1623.94   142.682   ?       ?       109.851 4.8493  ?              ?        
1 1 1 6   -8  24 o 74.387  2.0787  743.288   41.339    728.326   59.989    756.818   57.046    73.669  3.0402  75.106  2.8357  -1.437218      4.157391 
1 1 1 6   -8  25 o 127.657 2.8389  2196.16   96.831    2060.68   138.687   2325.02   135.256   123.786 4.1829  131.529 3.8393  -7.743187      5.677714 
1 1 1 6   -8  26 o 167.367 3.3999  3771.65   152.379   3883.63   217.807   3664.30   213.258   169.803 4.7889  164.930 4.8274  4.872009       6.799844 
1 1 1 6   -8  27 o 133.833 2.8915  2408.18   103.617   2469.76   148.889   2350.34   144.291   135.489 4.1027  132.177 4.0756  3.312241       5.783006 
1 1 1 6   -8  28 o 62.853  2.0737  535.334   34.539    489.331   50.846    574.747   47.063    60.270  3.1607  65.436  2.6852  -5.166069      4.147320 
1 1 1 6   -8  29 o 115.840 2.6507  1806.67   82.165    1808.88   118.889   1804.65   113.684   115.895 3.8299  115.786 3.6657  0.1083679      5.301442 
1 1 1 6   -8  30 o 33.288  2.1107  148.185   18.442    164.753   28.582    136.368   24.139    34.857  3.0935  31.718  2.8725  3.139748       4.221491 
1 1 1 6   -8  31 o 42.832  3.1851  248.584   36.280    248.584   36.280    0.0000    0.0000    42.832  3.1851  ?       ?       ?              ?        
1 1 1 6   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -8  33 f 18.285  5.1893  47.263    26.595    47.263    26.595    0.0000    0.0000    18.285  5.1893  ?       ?       ?              ?        
1 1 1 6   -8  34 o 48.828  2.6706  323.299   34.795    0.0000    0.0000    323.299   34.795    ?       ?       48.828  2.6706  ?              ?        
1 1 1 6   -8  35 o 27.343  2.9536  102.708   21.288    0.0000    0.0000    102.708   21.288    ?       ?       27.343  2.9536  ?              ?        
1 1 1 6   -8  36 o 28.552  2.3489  112.490   17.114    114.818   27.752    111.060   21.739    28.680  3.6989  28.424  2.8959  0.2559013      4.697702 
1 1 1 6   -8  37 o 29.022  2.4254  118.856   17.821    110.577   28.529    124.152   22.820    28.008  3.9096  30.036  2.8716  -2.027910      4.850847 
1 1 1 6   -8  38 o 12.210  2.9545  19.829    11.880    9.7801    20.100    25.225    14.728    11.113  4.4495  13.307  3.8881  -2.194332      5.908918 
1 1 1 6   -8  39 o 57.557  2.2471  458.039   33.984    469.709   53.092    449.938   44.233    58.011  3.4321  57.104  2.9015  0.9070816      4.494261 
1 1 1 6   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -8  41 o 20.120  3.2689  63.208    16.484    57.059    28.934    66.163    20.058    18.955  5.4242  21.285  3.6496  -2.329458      6.537735 
1 1 1 6   -8  42 o 19.963  3.2987  68.699    17.059    42.757    30.361    80.667    20.623    16.378  5.6744  23.548  3.3654  -7.169973      6.597374 
1 1 1 6   -8  43 o 13.302  3.3375  26.845    14.758    18.419    26.782    30.519    17.685    12.605  5.1045  14.000  4.3011  -1.394339      6.674983 
1 1 1 6   -8  44 o 10.609  3.1055  8.6825    13.282    17.993    24.554    4.8314    15.791    12.162  4.9006  9.0574  3.8157  3.104102       6.210959 
1 1 1 6   -8  45 o 13.625  3.0899  5.4579    14.321    71.775    28.714    -16.5012  16.523    20.350  5.2373  6.9003  3.2805  13.44947       6.179887 
1 1 1 6   -8  46 o 10.794  3.2060  12.016    15.127    -2.6633   30.447    16.827    17.430    10.566  4.8262  11.023  4.2214  -0.4573689     6.411914 
1 1 1 6   -8  47 o 11.090  4.3372  17.922    18.688    0.0000    0.0000    17.922    18.688    ?       ?       11.090  4.3372  ?              ?        
1 1 1 6   -7  0  o 171.560 3.4198  3944.97   157.130   4020.83   222.590   3869.62   221.842   173.206 4.7979  169.915 4.8744  3.290100       6.839587 
1 1 1 6   -7  1  o 224.154 4.3251  6737.58   259.674   6716.50   367.672   6758.57   366.799   223.803 6.1335  224.505 6.0998  -0.7014008     8.650244 
1 1 1 6   -7  2  o 375.937 6.9979  18991.03  704.604   19230.35  996.695   18751.92  996.225   378.313 9.8361  373.562 9.9565  4.750702       13.99572 
1 1 1 6   -7  3  o 404.308 7.4206  21974.39  803.597   21884.04  1136.12   22064.86  1136.80   403.473 10.513  405.142 10.476  -1.668884      14.84121 
1 1 1 6   -7  4  o 238.669 4.5056  7639.90   288.002   7756.09   407.083   7523.47   407.511   240.488 6.3197  236.849 6.4236  3.639221       9.011208 
1 1 1 6   -7  5  o 513.817 9.4651  35574.88  1302.60   35845.36  1842.21   35304.44  1842.10   515.782 13.335  511.852 13.436  3.930115       18.93010 
1 1 1 6   -7  6  o 240.913 4.5840  7786.95   295.637   7494.46   418.250   8078.99   417.937   236.384 6.6059  245.442 6.3573  -9.058777      9.168016 
1 1 1 6   -7  7  o 285.044 5.3189  10905.36  405.946   10582.16  574.722   11227.16  573.470   280.819 7.6408  289.269 7.4015  -8.449249      10.63789 
1 1 1 6   -7  8  o 548.103 10.062  40516.63  1476.65   39307.75  2088.42   41725.21  2088.17   539.869 14.442  556.336 14.013  -16.46716      20.12350 
1 1 1 6   -7  9  o 556.003 10.214  41694.05  1520.84   40720.57  2150.67   42667.78  2150.94   549.466 14.613  562.541 14.275  -13.07458      20.42858 
1 1 1 6   -7  10 f 402.236 7.4078  21746.40  798.091   21862.83  1128.92   21630.08  1128.42   403.316 10.450  401.157 10.502  2.159607       14.81550 
1 1 1 6   -7  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -7  12 o 470.753 10.711  29956.12  1271.38   29729.99  2202.75   30069.09  1556.88   468.826 17.541  472.681 12.297  -3.855347      21.42234 
1 1 1 6   -7  13 o 171.661 3.4318  3949.42   157.788   3911.11   222.650   3988.07   223.646   170.824 4.8661  172.497 4.8405  -1.673065      6.863656 
1 1 1 6   -7  14 f 314.800 5.9079  13305.12  498.116   13129.16  703.887   13481.65  705.001   312.711 8.4037  316.890 8.3060  -4.179199      11.81576 
1 1 1 6   -7  15 o 397.295 7.3798  21230.71  785.312   21360.72  1110.26   21100.55  1110.93   398.518 10.401  396.072 10.472  2.445862       14.75968 
1 1 1 6   -7  16 o 224.153 4.3337  6740.67   260.191   6717.54   367.518   6763.92   368.414   223.767 6.1319  224.539 6.1257  -0.7714081     8.667420 
1 1 1 6   -7  17 o 158.927 3.2572  3386.93   138.623   3296.71   195.489   3478.19   196.600   156.796 4.6548  161.058 4.5574  -4.262115      6.514337 
1 1 1 6   -7  18 o 67.427  2.4599  618.339   41.428    633.340   50.710    588.238   71.835    68.748  2.7539  66.106  4.0769  2.641655       4.919847 
1 1 1 6   -7  19 o 56.739  1.9009  437.270   28.450    368.470   41.068    500.757   39.450    52.347  2.9409  61.130  2.4094  -8.782673      3.801842 
1 1 1 6   -7  20 o 83.699  2.1122  938.189   47.320    986.384   68.171    893.375   65.736    85.771  2.9674  81.626  3.0067  4.145142       4.224355 
1 1 1 6   -7  21 o 99.231  2.3362  1320.03   62.070    1364.03   89.201    1278.73   86.426    100.833 3.3028  97.630  3.3050  3.203812       4.672399 
1 1 1 6   -7  22 o 129.577 2.7673  2253.60   95.979    2373.73   137.426   2139.21   134.105   132.952 3.8591  126.203 3.9672  6.748215       5.534559 
1 1 1 6   -7  23 o 86.886  4.1948  1014.65   97.623    0.0000    0.0000    1014.65   97.623    ?       ?       86.886  4.1948  ?              ?        
1 1 1 6   -7  24 o 36.881  1.8589  181.327   18.103    215.129   27.118    154.154   24.313    39.970  2.5462  33.792  2.7090  6.178223       3.717799 
1 1 1 6   -7  25 o 84.037  2.3050  958.497   51.295    818.367   74.097    1087.45   71.081    78.055  3.5441  90.018  2.9481  -11.96304      4.609984 
1 1 1 6   -7  26 o 120.944 2.7616  1974.47   89.086    1811.74   128.023   2127.26   124.045   116.066 4.1180  125.821 3.6808  -9.754349      5.523259 
1 1 1 6   -7  27 o 89.855  2.2945  1083.48   55.148    1100.89   80.389    1068.01   75.797    90.531  3.3152  89.179  3.1732  1.351418       4.589091 
1 1 1 6   -7  28 o 139.773 3.0092  2632.15   112.579   2605.47   161.805   2657.20   156.738   139.069 4.3438  140.476 4.1656  -1.406998      6.018431 
1 1 1 6   -7  29 o 185.604 3.7429  4660.78   185.972   4885.13   266.179   4446.83   259.939   189.989 5.2307  181.220 5.3552  8.768890       7.485870 
1 1 1 6   -7  30 o 33.701  2.1333  155.456   18.707    145.295   28.709    162.955   24.662    32.682  3.3259  34.719  2.6725  -2.036854      4.266606 
1 1 1 6   -7  31 o 86.282  2.3074  1000.90   53.225    1049.29   78.255    959.239   72.606    88.209  3.3122  84.356  3.2134  3.852745       4.614803 
1 1 1 6   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -7  33 o 24.323  4.8265  83.886    30.334    83.886    30.334    0.0000    0.0000    24.323  4.8265  ?       ?       ?              ?        
1 1 1 6   -7  34 o 55.371  2.7089  414.754   40.176    0.0000    0.0000    414.754   40.176    ?       ?       55.371  2.7089  ?              ?        
1 1 1 6   -7  35 o 42.785  2.6955  249.111   30.733    0.0000    0.0000    249.111   30.733    ?       ?       42.785  2.6955  ?              ?        
1 1 1 6   -7  36 o 13.856  2.6061  19.615    10.883    51.807    18.762    3.2927    13.360    19.082  3.8043  8.6301  3.5628  10.45182       5.212145 
1 1 1 6   -7  37 o 35.113  2.2066  169.053   20.085    174.999   32.106    165.230   25.744    35.520  3.4168  34.706  2.7931  0.8139687      4.413117 
1 1 1 6   -7  38 o 9.9989  2.7041  7.5558    11.410    -14.6746  19.640    18.883    14.019    8.2006  3.7930  11.797  3.8551  -3.596565      5.408234 
1 1 1 6   -7  39 o 17.942  3.0253  44.677    13.906    59.481    23.565    36.769    17.224    20.046  4.4994  15.839  4.0454  4.206493       6.050621 
1 1 1 6   -7  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -7  41 o 25.079  2.8774  90.403    17.838    102.400   30.725    84.303    21.908    26.015  4.5766  24.144  3.4889  1.871138       5.754779 
1 1 1 6   -7  42 o 7.8107  2.5146  -8.0704   11.741    -33.5881  22.509    1.4684    13.762    7.4002  3.5955  8.2212  3.5164  -0.8210526     5.029209 
1 1 1 6   -7  43 o 17.269  2.9559  55.037    15.857    7.1746    27.993    77.650    19.241    11.498  4.9677  23.040  3.2047  -11.54134      5.911734 
1 1 1 6   -7  44 o 6.8063  2.3569  -22.2508  11.606    -28.6262  24.165    -20.3390  13.233    7.9266  3.8203  5.6860  2.7613  2.240593       4.713723 
1 1 1 6   -7  45 o 10.903  3.2441  9.7431    14.412    16.772    28.278    7.2766    16.751    12.267  5.1334  9.5387  3.9679  2.728247       6.488138 
1 1 1 6   -7  46 o 16.962  3.5991  41.140    16.916    84.794    32.270    24.598    19.864    21.443  5.5688  12.480  4.5610  8.962953       7.198210 
1 1 1 6   -7  47 o 11.683  3.4252  10.507    15.796    44.053    31.508    -0.7548   18.256    14.821  5.6758  8.5444  3.8358  6.276734       6.850401 
1 1 1 6   -6  0  o 212.926 4.1125  6078.75   234.545   6076.44   332.009   6081.06   331.385   212.885 5.8226  212.966 5.8094  -0.8142090E-01 8.225086 
1 1 1 6   -6  1  o 360.879 6.6938  17495.54  647.024   17469.45  915.437   17521.59  914.622   360.609 9.4777  361.149 9.4551  -0.5404358     13.38752 
1 1 1 6   -6  2  o 133.826 2.7632  2400.72   98.990    2491.97   139.934   2309.32   140.053   136.374 3.8309  131.278 3.9830  5.095627       5.526334 
1 1 1 6   -6  3  o 266.849 5.0192  9553.41   358.737   9459.43   506.883   9647.72   507.780   265.533 7.1269  268.166 7.0694  -2.633606      10.03838 
1 1 1 6   -6  4  o 98.991  2.1432  1312.76   56.821    1292.46   80.188    1333.23   80.528    98.222  3.0480  99.759  3.0137  -1.537308      4.286324 
1 1 1 6   -6  5  o 207.458 4.0328  5773.60   223.919   5515.96   316.867   6030.59   316.472   202.827 5.8326  212.088 5.5710  -9.261673      8.065667 
1 1 1 6   -6  6  f 42.550  1.5305  242.942   17.384    240.980   25.224    244.717   23.992    42.357  2.2312  42.743  2.0956  -0.3869820     3.061008 
1 1 1 6   -6  7  f 195.786 3.7803  5138.65   198.240   5139.14   281.320   5138.17   279.398   195.795 5.3643  195.778 5.3281  0.1713562E-01  7.560685 
1 1 1 6   -6  8  o 125.838 2.6604  2121.84   89.650    2178.42   127.104   2065.84   126.467   127.508 3.7216  124.169 3.8026  3.339775       5.320718 
1 1 1 6   -6  9  o 784.632 14.488  83618.17  3044.40   82118.11  4304.11   85120.07  4306.75   777.493 20.668  791.770 20.308  -14.27728      28.97533 
1 1 1 6   -6  10 o 506.440 9.3369  34549.22  1266.40   35162.62  1791.06   33935.96  1790.85   510.961 13.087  501.919 13.321  9.042450       18.67387 
1 1 1 6   -6  11 o 163.140 3.2832  3566.99   143.439   3478.70   202.404   3656.08   203.305   161.110 4.6904  165.169 4.5955  -4.058807      6.566420 
1 1 1 6   -6  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -6  13 o 147.130 3.0491  2900.89   120.152   2852.35   169.580   2949.81   170.264   145.894 4.3396  148.367 4.2845  -2.472748      6.098247 
1 1 1 6   -6  14 o 318.813 5.9727  13646.97  509.956   13370.50  720.540   13924.44  721.836   315.570 8.5246  322.056 8.3679  -6.485504      11.94533 
1 1 1 6   -6  15 o 212.963 4.1460  6082.52   236.470   6174.69   334.052   5989.94   334.788   214.583 5.8121  211.344 5.9141  3.239426       8.291987 
1 1 1 6   -6  16 o 370.986 6.8680  18511.39  682.366   18891.77  966.326   18133.06  963.702   374.801 9.6257  367.170 9.7991  7.631042       13.73598 
1 1 1 6   -6  17 o 353.693 6.5722  16837.56  622.508   17251.05  881.842   16426.85  878.883   358.040 9.1954  349.346 9.3926  8.694092       13.14445 
1 1 1 6   -6  18 o 84.261  2.1505  953.714   48.423    901.122   69.514    1003.29   67.492    81.997  3.1651  86.525  2.9122  -4.528709      4.301014 
1 1 1 6   -6  19 o 177.516 3.5340  4230.50   168.022   4283.36   239.017   4178.87   236.245   178.612 4.9961  176.420 4.9995  2.192383       7.067928 
1 1 1 6   -6  20 o 201.060 3.9548  5436.67   212.958   5388.39   302.585   5484.06   299.771   200.168 5.6437  201.952 5.5418  -1.784225      7.909682 
1 1 1 6   -6  21 o 225.433 4.3930  6854.00   264.967   6518.90   375.987   7184.62   373.467   219.915 6.3830  230.950 6.0373  -11.03429      8.785940 
1 1 1 6   -6  22 o 146.880 3.7664  2886.78   140.239   2850.84   171.954   2958.17   242.346   145.643 4.4079  148.118 6.1086  -2.475357      7.532893 
1 1 1 6   -6  23 o 57.256  1.8971  438.779   29.040    453.683   42.641    425.887   39.659    58.159  2.7373  56.353  2.6275  1.806416       3.794233 
1 1 1 6   -6  24 o 146.709 3.1245  2898.15   122.639   2789.45   175.324   3002.30   171.611   143.993 4.5458  149.424 4.2878  -5.430222      6.248975 
1 1 1 6   -6  25 f 66.860  2.1084  606.023   37.338    542.343   54.617    661.894   51.159    63.478  3.2229  70.241  2.7192  -6.762531      4.216770 
1 1 1 6   -6  26 o 159.006 3.2544  3401.78   138.264   3735.75   198.480   3086.93   192.717   166.611 4.4476  151.401 4.7523  15.20999       6.508862 
1 1 1 6   -6  27 o 82.272  2.1983  905.687   48.355    966.085   70.995    853.424   66.042    84.821  3.1249  79.724  3.0927  5.096848       4.396598 
1 1 1 6   -6  28 o 92.905  2.4152  1166.74   59.746    1078.17   87.142    1245.30   82.073    89.537  3.6336  96.274  3.1828  -6.736763      4.830411 
1 1 1 6   -6  29 o 131.761 2.8787  2338.27   101.537   2399.95   146.687   2281.53   140.691   133.421 4.1047  130.102 4.0373  3.319092       5.757455 
1 1 1 6   -6  30 o 58.577  2.0663  460.114   32.214    482.293   48.343    442.400   43.204    59.795  3.0283  57.359  2.8121  2.435543       4.132613 
1 1 1 6   -6  31 o 72.741  2.1541  707.929   41.820    780.969   62.300    648.024   56.421    76.131  3.0552  69.351  3.0374  6.779526       4.308110 
1 1 1 6   -6  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -6  33 o 13.882  4.5234  25.578    19.306    25.578    19.306    0.0000    0.0000    13.882  4.5234  ?       ?       ?              ?        
1 1 1 6   -6  34 o 28.653  2.8312  112.242   21.444    0.0000    0.0000    112.242   21.444    ?       ?       28.653  2.8312  ?              ?        
1 1 1 6   -6  35 o 36.519  2.7236  181.860   26.449    0.0000    0.0000    181.860   26.449    ?       ?       36.519  2.7236  ?              ?        
1 1 1 6   -6  36 o 17.319  2.8842  46.884    13.223    26.835    22.194    57.918    16.464    14.259  4.8547  20.378  3.1153  -6.118535      5.768328 
1 1 1 6   -6  37 o 12.695  2.9710  21.866    12.541    5.4933    21.341    30.502    15.500    10.814  4.4868  14.576  3.8955  -3.762101      5.941918 
1 1 1 6   -6  38 o 28.440  2.4648  111.771   17.925    121.545   29.184    105.851   22.714    29.312  3.8071  27.568  3.1316  1.743452       4.929593 
1 1 1 6   -6  39 o 18.042  3.1080  46.530    14.251    54.071    24.712    42.773    17.443    18.975  4.8452  17.110  3.8938  1.865170       6.215951 
1 1 1 6   -6  40 o 19.028  3.2646  54.171    15.723    56.084    27.620    53.254    19.124    19.023  5.2493  19.034  3.8826  -0.1124763E-01 6.529124 
1 1 1 6   -6  41 o 21.809  3.2550  82.710    17.800    44.736    30.843    101.675   21.796    16.892  5.7232  26.726  3.1025  -9.833664      6.510056 
1 1 1 6   -6  42 o 26.542  2.9504  105.605   19.103    109.522   33.086    103.646   23.398    26.383  4.8611  26.701  3.3450  -0.3180542     5.900826 
1 1 1 6   -6  43 o 19.578  3.3021  57.973    16.107    73.656    29.059    51.018    19.351    21.042  5.1886  18.114  4.0859  2.928467       6.604237 
1 1 1 6   -6  44 o 19.705  3.4550  57.458    17.100    88.263    31.517    44.606    20.357    22.824  5.2629  16.585  4.4778  6.239479       6.910038 
1 1 1 6   -6  45 o 7.1889  2.4323  -15.8169  12.065    -30.0282  23.642    -10.8128  14.029    7.6802  3.7206  6.6975  3.1339  0.9827905      4.864567 
1 1 1 6   -6  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -6  47 o 8.7247  2.7384  -2.2519   14.172    -44.6086  28.044    12.275    16.423    7.5629  3.7415  9.8866  3.9995  -2.323669      5.476731 
1 1 1 6   -5  0  o 310.277 5.7869  12924.10  480.920   13051.49  680.568   12797.05  679.680   311.807 8.1489  308.747 8.2189  3.060516       11.57385 
1 1 1 6   -5  1  o 54.987  1.6732  404.997   24.637    417.483   35.002    392.735   34.686    55.827  2.3407  54.147  2.3916  1.680210       3.346449 
1 1 1 6   -5  2  o 155.142 3.1048  3225.66   129.013   3187.03   182.115   3264.58   182.790   154.209 4.4091  156.075 4.3725  -1.865906      6.209567 
1 1 1 6   -5  3  o 243.372 4.5642  7944.53   297.508   7830.23   420.377   8059.22   421.102   241.616 6.4957  245.128 6.4136  -3.512115      9.128443 
1 1 1 6   -5  4  o 46.194  1.5396  286.760   18.977    271.074   27.167    301.708   26.521    44.929  2.2648  47.460  2.0863  -2.531601      3.079260 
1 1 1 6   -5  5  o 24.161  1.4470  79.010    9.2330    75.485    13.522    82.089    12.637    23.641  2.1594  24.681  1.9269  -1.040499      2.894100 
1 1 1 6   -5  6  o 86.969  2.0725  1013.08   48.271    1037.01   68.705    989.752   67.834    87.983  2.9154  85.954  2.9464  2.028442       4.144990 
1 1 1 6   -5  7  o 125.215 2.6633  2101.21   89.298    2161.50   126.322   2040.98   126.251   127.012 3.7132  123.418 3.8191  3.593605       5.326680 
1 1 1 6   -5  8  o 94.807  2.2369  1204.19   56.803    1205.52   80.047    1202.85   80.620    94.860  3.1504  94.755  3.1765  0.1055298      4.473894 
1 1 1 6   -5  9  o 266.453 5.0636  9524.76   361.380   9574.55   510.833   9474.88   511.303   267.151 7.1389  265.754 7.1831  1.397034       10.12722 
1 1 1 6   -5  10 o 526.914 9.7199  37414.71  1371.77   37085.14  1939.47   37744.61  1940.47   524.578 13.803  529.249 13.689  -4.670959      19.43989 
1 1 1 6   -5  11 o 357.043 6.6408  17121.57  635.079   17157.21  897.824   17085.88  898.450   357.417 9.3784  356.670 9.4045  0.7466125      13.28154 
1 1 1 6   -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -5  13 o 95.307  2.2634  1217.30   57.757    1198.51   82.423    1235.43   80.957    94.584  3.2534  96.030  3.1474  -1.446609      4.526715 
1 1 1 6   -5  14 o 352.271 6.5311  16680.60  615.350   17764.33  872.128   15606.22  868.356   363.705 8.9525  340.837 9.5118  22.86774       13.06219 
1 1 1 6   -5  15 o 390.514 7.2332  20505.22  756.578   20426.73  1071.02   20583.39  1068.91   389.764 10.259  391.265 10.200  -1.500824      14.46647 
1 1 1 6   -5  16 f 72.833  1.9891  710.917   38.475    838.876   55.571    593.106   53.322    79.132  2.6218  66.535  2.9920  12.59718       3.978239 
1 1 1 6   -5  17 o 234.007 4.5155  7353.45   282.911   7136.85   401.116   7567.85   399.084   230.568 6.4951  237.447 6.2749  -6.879196      9.031079 
1 1 1 6   -5  18 o 118.541 2.6236  1885.46   83.233    1825.80   118.836   1942.91   116.613   116.696 3.8019  120.386 3.6164  -3.690598      5.247219 
1 1 1 6   -5  19 o 88.674  2.1797  1054.01   51.410    1226.52   74.196    894.698   71.301    95.658  2.8958  81.690  3.2586  13.96751       4.359403 
1 1 1 6   -5  20 o 105.360 2.4079  1487.63   67.911    1562.81   97.528    1416.87   94.620    107.943 3.3732  102.777 3.4372  5.166710       4.815893 
1 1 1 6   -5  21 o 55.457  1.9264  417.814   28.205    359.596   41.002    470.106   38.859    51.696  2.9737  59.219  2.4499  -7.523098      3.852890 
1 1 1 6   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -5  23 o 51.819  1.8516  358.559   25.572    397.950   37.731    325.096   34.777    54.474  2.5860  49.163  2.6508  5.311146       3.703213 
1 1 1 6   -5  24 o 45.148  1.8954  272.903   22.748    293.505   33.818    255.879   30.741    46.698  2.7155  43.597  2.6450  3.100376       3.790772 
1 1 1 6   -5  25 f 89.862  2.3016  1083.31   55.336    1100.47   80.450    1067.90   76.234    90.533  3.3177  89.191  3.1911  1.341324       4.603242 
1 1 1 6   -5  26 o 78.348  2.2387  829.660   46.651    758.609   68.156    892.288   63.989    75.157  3.3857  81.539  2.9299  -6.382225      4.477425 
1 1 1 6   -5  27 o 118.420 2.6995  1889.08   85.442    1816.82   123.383   1955.66   118.436   116.222 3.9635  120.618 3.6659  -4.396584      5.398916 
1 1 1 6   -5  28 o 147.586 3.1090  2932.48   122.832   3065.87   176.813   2808.06   170.765   150.830 4.3766  144.341 4.4169  6.489120       6.218021 
1 1 1 6   -5  29 o 41.068  2.0460  228.443   22.125    222.909   33.580    232.689   29.411    40.598  3.1117  41.538  2.6574  -0.9396172     4.092047 
1 1 1 6   -5  30 o 65.506  2.1449  575.348   37.469    599.477   56.115    555.935   50.334    66.730  3.1396  64.283  2.9234  2.446747       4.289879 
1 1 1 6   -5  31 o 80.958  4.9589  895.838   107.013   895.838   107.013   0.0000    0.0000    80.958  4.9589  ?       ?       ?              ?        
1 1 1 6   -5  32 o 38.745  3.2347  204.318   33.263    204.318   33.263    0.0000    0.0000    38.745  3.2347  ?       ?       ?              ?        
1 1 1 6   -5  33 o 41.995  3.2005  240.367   35.729    240.367   35.729    0.0000    0.0000    41.995  3.2005  ?       ?       ?              ?        
1 1 1 6   -5  34 o 36.446  2.7814  180.939   26.947    0.0000    0.0000    180.939   26.947    ?       ?       36.446  2.7814  ?              ?        
1 1 1 6   -5  35 o 58.687  2.7867  467.616   43.806    0.0000    0.0000    467.616   43.806    ?       ?       58.687  2.7867  ?              ?        
1 1 1 6   -5  36 o 46.723  2.3173  309.406   27.626    260.142   43.449    342.839   35.793    43.287  3.7854  50.159  2.6738  -6.871677      4.634507 
1 1 1 6   -5  37 o 43.849  2.2777  266.958   25.825    257.894   41.181    272.833   33.155    43.067  3.6030  44.631  2.7874  -1.563789      4.555352 
1 1 1 6   -5  38 o 38.330  2.2982  200.497   22.743    220.358   37.344    188.789   28.673    39.687  3.5506  36.974  2.9190  2.712528       4.596424 
1 1 1 6   -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -5  40 o 12.842  2.5272  18.292    14.020    -49.6652  25.030    49.358    16.924    7.2748  3.5870  18.410  3.5609  -11.13482      5.054343 
1 1 1 6   -5  41 o 14.642  3.1772  23.416    13.295    57.499    25.648    10.892    15.547    19.100  4.9669  10.183  3.9634  8.916457       6.354397 
1 1 1 6   -5  42 o 16.370  3.0079  47.927    15.946    1.5827    28.904    68.203    19.118    11.213  4.9416  21.527  3.4309  -10.31433      6.015844 
1 1 1 6   -5  43 o 11.428  3.1560  16.169    13.665    8.9290    24.739    19.348    16.392    11.189  4.7481  11.666  4.1591  -0.4774637     6.312078 
1 1 1 6   -5  44 o 24.086  3.3140  85.518    19.212    119.086   35.875    72.018    22.750    26.697  5.2040  21.475  4.1047  5.221476       6.627935 
1 1 1 6   -5  45 o 24.476  3.6348  99.040    21.518    111.873   39.263    93.530    25.726    24.589  6.0118  24.362  4.0873  0.2272682      7.269621 
1 1 1 6   -5  46 o 24.641  3.9476  97.050    25.175    0.0000    0.0000    97.050    25.175    ?       ?       24.641  3.9476  ?              ?        
1 1 1 6   -4  0  o 228.264 4.3889  6989.20   268.243   7210.80   379.824   6768.69   378.884   231.879 6.1155  224.648 6.2967  7.230209       8.777705 
1 1 1 6   -4  1  o 287.679 5.4014  11107.67  416.200   11078.50  588.760   11136.80  588.430   287.300 7.6509  288.057 7.6265  -0.7568665     10.80280 
1 1 1 6   -4  2  f 213.827 4.0751  6130.82   233.392   6099.23   329.590   6162.59   330.544   213.274 5.7696  214.379 5.7565  -1.105438      8.150200 
1 1 1 6   -4  3  o 267.194 5.0210  9580.45   359.278   9396.45   508.702   9763.57   507.492   264.628 7.1769  269.759 7.0237  -5.130951      10.04192 
1 1 1 6   -4  4  o 330.185 6.1078  14641.50  540.139   14475.84  764.875   14806.29  762.873   328.316 8.6978  332.055 8.5774  -3.738770      12.21568 
1 1 1 6   -4  5  f 202.084 3.9150  5475.28   211.908   5441.40   299.783   5509.12   299.584   201.458 5.5556  202.710 5.5177  -1.251266      7.830034 
1 1 1 6   -4  6  o 468.080 8.6382  29496.89  1082.97   29222.98  1531.02   29771.18  1532.08   465.895 12.269  470.266 12.163  -4.370819      17.27630 
1 1 1 6   -4  7  o 284.808 5.3597  10884.97  408.866   10924.41  578.038   10845.47  578.410   285.326 7.5636  284.291 7.5960  1.035278       10.71944 
1 1 1 6   -4  8  o 192.260 3.7652  4955.50   193.880   5022.77   273.950   4888.00   274.427   193.569 5.2838  190.952 5.3656  2.617310       7.530464 
1 1 1 6   -4  9  o 308.324 5.7659  12771.16  475.396   13648.19  673.636   11900.99  670.994   318.901 7.8864  297.747 8.4136  21.15396       11.53189 
1 1 1 6   -4  10 o 105.569 2.3911  1494.10   67.568    1446.86   96.187    1540.11   94.936    103.920 3.4556  107.218 3.3058  -3.298347      4.782213 
1 1 1 6   -4  11 o 120.021 2.6652  1936.70   85.315    1742.74   121.246   2126.91   120.071   114.045 3.9692  125.996 3.5579  -11.95083      5.330385 
1 1 1 6   -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -4  13 o 201.288 3.9127  5431.57   210.898   5593.58   299.330   5271.87   297.191   204.271 5.4708  198.305 5.5952  5.965622       7.825345 
1 1 1 6   -4  14 o 509.460 9.3687  34969.77  1278.34   35514.34  1809.29   34426.95  1806.40   513.442 13.156  505.478 13.342  7.963776       18.73746 
1 1 1 6   -4  15 o 153.649 3.1412  3176.71   128.105   3712.26   182.777   2659.60   179.601   166.437 4.1000  140.861 4.7602  25.57611       6.282485 
1 1 1 6   -4  16 o 225.696 4.3413  6833.39   262.435   6895.95   372.381   6771.65   369.911   226.723 6.1320  224.669 6.1470  2.053452       8.682588 
1 1 1 6   -4  17 o 68.505  1.9422  627.608   35.524    700.727   51.396    560.720   49.157    72.319  2.6533  64.690  2.8370  7.628922       3.884365 
1 1 1 6   -4  18 o 143.033 2.9840  2743.14   114.306   2800.90   163.054   2687.32   160.287   144.514 4.2124  141.553 4.2276  2.961243       5.968011 
1 1 1 6   -4  19 o 80.453  2.1171  868.859   45.547    842.552   65.698    893.205   63.201    79.276  3.0940  81.630  2.8906  -2.353615      4.234184 
1 1 1 6   -4  20 o 189.101 3.7741  4811.10   191.019   4637.87   271.650   4980.54   268.658   185.714 5.4610  192.488 5.2108  -6.773560      7.548227 
1 1 1 6   -4  21 o 264.043 5.0165  9415.29   354.551   9859.16   503.664   8979.27   499.187   270.254 6.9579  257.832 7.2283  12.42181       10.03301 
1 1 1 6   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -4  23 o 257.277 4.9191  8951.49   338.940   9139.42   481.647   8767.12   477.054   259.966 6.9171  254.588 6.9959  5.378311       9.838103 
1 1 1 6   -4  24 o 106.971 2.4991  1535.61   71.563    1566.82   103.344   1506.85   99.195    108.012 3.5721  105.931 3.4960  2.080803       4.998232 
1 1 1 6   -4  25 o 347.783 6.6160  16526.85  616.286   16504.08  874.194   16549.35  868.950   347.519 9.3916  348.047 9.3211  -0.5284424     13.23199 
1 1 1 6   -4  26 o 59.572  2.0435  476.931   32.404    476.299   48.104    477.456   43.843    59.492  3.0288  59.653  2.7439  -0.1610641     4.086947 
1 1 1 6   -4  27 o 118.605 2.7126  1892.27   86.075    1880.99   124.555   1902.59   119.085   118.254 3.9324  118.956 3.7375  -0.7021179     5.425208 
1 1 1 6   -4  28 o 135.179 2.9388  2460.01   106.345   2510.51   153.553   2413.46   147.424   136.503 4.1998  133.855 4.1119  2.647858       5.877608 
1 1 1 6   -4  29 o 157.603 3.3387  3362.71   140.762   3269.95   202.374   3449.64   195.918   155.450 4.8604  159.757 4.5785  -4.306778      6.677341 
1 1 1 6   -4  30 o 33.992  2.2865  156.060   20.297    162.963   31.622    151.223   26.469    34.597  3.4587  33.387  2.9916  1.210274       4.573043 
1 1 1 6   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -4  32 o 31.532  3.3786  136.110   28.091    136.110   28.091    0.0000    0.0000    31.532  3.3786  ?       ?       ?              ?        
1 1 1 6   -4  33 o 54.939  3.2054  410.733   46.963    410.733   46.963    0.0000    0.0000    54.939  3.2054  ?       ?       ?              ?        
1 1 1 6   -4  34 o 12.820  3.8439  22.777    14.245    0.0000    0.0000    22.777    14.245    ?       ?       12.820  3.8439  ?              ?        
1 1 1 6   -4  35 o 28.816  2.8921  113.981   22.021    0.0000    0.0000    113.981   22.021    ?       ?       28.816  2.8921  ?              ?        
1 1 1 6   -4  36 o 12.693  2.9614  14.821    11.854    38.763    21.232    3.9794    14.288    16.404  4.6301  8.9820  3.6936  7.421600       5.922891 
1 1 1 6   -4  37 o 64.948  2.2509  572.808   38.692    622.371   60.420    538.353   50.376    67.211  3.3562  62.686  3.0003  4.524841       4.501788 
1 1 1 6   -4  38 o 14.072  3.1105  23.766    12.672    43.060    22.535    14.845    15.324    17.063  4.7539  11.082  4.0126  5.981560       6.220971 
1 1 1 6   -4  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -4  40 o 31.135  2.5996  135.162   20.686    159.338   34.336    121.388   25.917    33.107  3.9500  29.163  3.3805  3.944265       5.199106 
1 1 1 6   -4  41 o 14.611  3.1543  34.986    14.505    9.9078    27.522    44.631    17.068    11.965  5.0388  17.257  3.7959  -5.291845      6.308573 
1 1 1 6   -4  42 o 25.479  3.1414  101.269   19.191    97.571    33.727    103.039   23.337    24.397  5.3119  26.560  3.3552  -2.163105      6.282800 
1 1 1 6   -4  43 o 24.796  3.2431  95.540    19.478    103.199   34.534    91.967    23.589    24.838  5.3490  24.755  3.6686  0.8292198E-01  6.486211 
1 1 1 6   -4  44 o 13.927  3.6348  27.588    16.359    40.049    31.402    22.946    19.165    15.420  5.7175  12.434  4.4897  2.985382       7.269651 
1 1 1 6   -4  45 o 24.215  5.9864  109.364   38.608    109.364   38.608    0.0000    0.0000    24.215  5.9864  ?       ?       ?              ?        
1 1 1 6   -4  46 o 12.071  3.4545  21.557    16.094    14.784    34.177    23.487    18.243    12.080  5.3461  12.062  4.3765  0.1803398E-01  6.909074 
1 1 1 6   -3  0  o 195.900 4.6096  5097.94   229.358   4994.06   281.240   5304.21   396.317   192.997 5.4405  198.802 7.4428  -5.804382      9.219185 
1 1 1 6   -3  1  o 429.754 9.7324  24717.05  1059.05   24317.64  1296.01   25519.78  1837.32   425.061 11.383  434.447 15.789  -9.385468      19.46474 
1 1 1 6   -3  2  o 343.785 7.8901  16020.01  683.520   16255.21  838.780   15555.09  1179.29   347.853 9.0025  339.717 12.960  8.135559       15.78015 
1 1 1 6   -3  3  o 138.694 2.8232  2577.65   104.879   2587.43   148.811   2568.00   147.835   138.955 3.9983  138.433 3.9870  0.5223236      5.646466 
1 1 1 6   -3  4  o 195.231 3.8001  5109.98   198.713   5087.71   280.668   5132.37   281.379   194.805 5.3790  195.658 5.3691  -0.8535614     7.600117 
1 1 1 6   -3  5  o 263.296 4.9876  9302.13   351.681   9500.93   497.192   9103.08   497.510   266.117 6.9753  260.475 7.1309  5.641602       9.975221 
1 1 1 6   -3  6  o 184.692 3.6110  4572.70   178.591   4702.63   253.253   4444.17   251.883   187.304 5.0480  182.080 5.1647  5.223877       7.221968 
1 1 1 6   -3  7  o 390.873 7.2181  20534.43  755.680   20723.95  1069.51   20345.49  1067.88   392.680 10.169  389.067 10.247  3.612793       14.43626 
1 1 1 6   -3  8  o 83.380  2.1428  940.758   47.229    771.577   67.171    1106.17   66.419    75.889  3.3046  90.871  2.7288  -14.98198      4.285630 
1 1 1 6   -3  9  o 314.008 5.8481  13236.60  491.730   13613.32  696.406   12862.03  694.422   318.473 8.1640  309.542 8.3756  8.930664       11.69618 
1 1 1 6   -3  10 o 228.104 4.4366  6991.58   270.254   6375.53   382.472   7605.86   381.923   218.035 6.5491  238.173 5.9868  -20.13757      8.873156 
1 1 1 6   -3  11 o 144.105 3.0226  2787.10   116.446   2602.36   165.296   2969.10   164.069   139.354 4.4285  148.856 4.1150  -9.502075      6.045240 
1 1 1 6   -3  12 o 239.456 9.1054  7699.00   584.000   0.0000    0.0000    7699.00   584.000   ?       ?       239.456 9.1054  ?              ?        
1 1 1 6   -3  13 o 399.824 7.3545  21486.18  787.384   22121.40  1115.11   20854.55  1111.95   405.737 10.261  393.911 10.539  11.82568       14.70905 
1 1 1 6   -3  14 o 477.984 8.7737  30760.84  1123.18   31240.57  1589.97   30282.96  1586.87   481.722 12.323  474.247 12.492  7.474762       17.54732 
1 1 1 6   -3  15 o 37.555  1.9885  199.449   18.501    122.950   26.586    271.284   25.763    30.107  3.3538  45.003  2.1373  -14.89668      3.976958 
1 1 1 6   -3  16 o 107.138 2.4418  1537.36   70.052    1584.19   100.308   1492.78   97.875    108.730 3.4442  105.546 3.4621  3.183922       4.883542 
1 1 1 6   -3  17 o 94.096  2.2880  1188.64   57.566    1133.60   82.544    1240.76   80.322    91.970  3.3508  96.223  3.1165  -4.253563      4.576071 
1 1 1 6   -3  18 o 119.224 2.6943  1913.41   85.677    1736.37   122.381   2083.59   119.985   113.786 4.0155  124.662 3.5934  -10.87585      5.388550 
1 1 1 6   -3  19 o 137.089 2.8866  2520.49   105.901   2671.33   151.516   2376.42   148.077   141.101 4.0090  133.076 4.1543  8.025406       5.773257 
1 1 1 6   -3  20 o 138.256 2.9136  2564.67   107.804   2717.26   154.352   2419.36   150.631   142.274 4.0504  134.238 4.1894  8.036285       5.827240 
1 1 1 6   -3  21 o 112.665 2.5239  1701.38   76.033    1846.68   109.539   1566.29   105.623   117.307 3.4862  108.024 3.6505  9.282860       5.047760 
1 1 1 6   -3  22 o 89.428  4.3138  1074.81   103.329   0.0000    0.0000    1074.81   103.329   ?       ?       89.428  4.3138  ?              ?        
1 1 1 6   -3  23 o 80.108  2.3263  882.573   48.487    671.132   70.012    1077.46   67.215    70.593  3.7158  89.623  2.8000  -19.03017      4.652659 
1 1 1 6   -3  24 o 82.171  2.2614  911.403   49.482    839.914   72.060    975.190   68.067    79.092  3.4015  85.249  2.9810  -6.156769      4.522895 
1 1 1 6   -3  25 o 98.174  2.4275  1291.01   63.751    1369.14   92.940    1221.57   87.612    100.972 3.4364  95.376  3.4295  5.595978       4.854980 
1 1 1 6   -3  26 o 111.686 2.5833  1672.11   77.181    1784.48   112.239   1571.31   106.305   115.239 3.6363  108.133 3.6703  7.105621       5.166589 
1 1 1 6   -3  27 o 107.502 2.5106  1547.62   72.018    1749.56   105.126   1369.04   98.861    114.098 3.4399  100.907 3.6578  13.19059       5.021163 
1 1 1 6   -3  28 o 103.334 2.5222  1436.13   69.688    1446.18   101.757   1427.25   95.636    103.660 3.6649  103.007 3.4663  0.6538773      5.044463 
1 1 1 6   -3  29 o 52.624  2.0857  374.362   28.969    367.782   44.070    379.368   38.441    52.185  3.1678  53.062  2.7138  -0.8764458     4.171333 
1 1 1 6   -3  30 o 60.300  2.0738  482.060   33.138    575.829   50.549    411.390   43.883    65.406  2.8854  55.195  2.9793  10.21044       4.147525 
1 1 1 6   -3  31 o 89.142  2.9343  1073.14   64.584    1099.43   116.607   1061.50   77.567    89.632  4.8754  88.651  3.2667  0.9807892      5.868601 
1 1 1 6   -3  32 o 120.921 4.1185  1993.01   133.391   1993.01   133.391   0.0000    0.0000    120.921 4.1185  ?       ?       ?              ?        
1 1 1 6   -3  33 o 46.947  3.2667  300.747   40.822    300.747   40.822    0.0000    0.0000    46.947  3.2667  ?       ?       ?              ?        
1 1 1 6   -3  34 o 25.338  2.8375  86.040    17.075    100.627   32.144    80.305    20.154    26.589  4.6846  24.087  3.2032  2.502119       5.675021 
1 1 1 6   -3  35 o 4.3837  2.1776  -24.1179  9.8772    0.0000    0.0000    -24.1179  9.8772    ?       ?       4.3837  2.1776  ?              ?        
1 1 1 6   -3  36 o 20.349  3.0293  64.215    15.165    45.613    26.386    73.391    18.532    17.725  5.2114  22.974  3.0900  -5.248915      6.058638 
1 1 1 6   -3  37 o 10.531  2.9037  10.396    11.304    9.2129    19.852    10.963    13.751    10.987  4.4138  10.076  3.7741  0.9115524      5.807391 
1 1 1 6   -3  38 o 20.856  5.1895  65.714    28.873    65.714    28.873    0.0000    0.0000    20.856  5.1895  ?       ?       ?              ?        
1 1 1 6   -3  39 o 17.203  3.2841  46.914    15.370    32.944    27.429    53.308    18.558    15.286  5.3873  19.121  3.7574  -3.835812      6.568202 
1 1 1 6   -3  40 o 46.560  2.5157  313.427   29.692    297.747   49.023    322.512   37.315    45.142  4.0991  47.979  2.9175  -2.836727      5.031355 
1 1 1 6   -3  41 o 33.800  2.9038  178.412   23.255    144.453   39.425    196.531   28.798    30.345  5.0265  37.255  2.9090  -6.910080      5.807597 
1 1 1 6   -3  42 o 28.025  3.0933  120.165   20.935    123.150   36.737    118.730   25.477    27.580  5.1628  28.469  3.4089  -0.8884468     6.186645 
1 1 1 6   -3  43 o 19.845  3.5725  66.492    18.328    61.214    32.820    68.884    22.095    18.580  5.8829  21.110  4.0549  -2.529602      7.145006 
1 1 1 6   -3  44 o 13.780  3.5282  30.724    16.895    15.369    32.521    36.401    19.773    12.620  5.4019  14.940  4.5399  -2.319585      7.056303 
1 1 1 6   -3  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -3  46 o 8.6678  2.8943  -9.4053   14.484    -3.4717   30.379    -11.1509  16.478    10.172  4.7092  7.1638  3.3662  3.008078       5.788610 
1 1 1 6   -2  0  o 211.977 5.8409  6025.76   331.634   6025.76   331.634   0.0000    0.0000    211.977 5.8409  ?       ?       ?              ?        
1 1 1 6   -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -2  2  o 511.524 13.339  35282.28  1827.66   35282.28  1827.66   0.0000    0.0000    511.524 13.339  ?       ?       ?              ?        
1 1 1 6   -2  3  o 178.434 3.5201  4268.98   168.152   4437.66   238.244   4101.54   237.365   181.950 4.8886  174.918 5.0663  7.032257       7.040294 
1 1 1 6   -2  4  o 69.845  1.9318  660.643   35.385    825.521   50.496    501.561   49.600    78.503  2.4015  61.187  3.0265  17.31640       3.863505 
1 1 1 6   -2  5  o 368.010 6.8921  18217.99  678.258   17015.10  958.853   19422.64  959.552   355.798 10.061  380.221 9.4220  -24.42355      13.78428 
1 1 1 6   -2  6  o 229.015 4.3532  7033.31   267.022   6973.87   377.341   7092.92   377.912   228.045 6.1777  229.985 6.1348  -1.940231      8.706316 
1 1 1 6   -2  7  o 46.186  1.6608  286.483   20.477    287.450   28.810    285.495   29.109    46.266  2.3323  46.106  2.3651  0.1597443      3.321670 
1 1 1 6   -2  8  o 554.438 10.218  41456.94  1517.33   41971.69  2145.95   40942.32  2145.71   557.903 14.361  550.972 14.540  6.931091       20.43591 
1 1 1 6   -2  9  o 301.753 5.6116  12220.39  453.491   11981.34  640.868   12460.14  641.801   298.791 8.0078  304.714 7.8635  -5.923004      11.22317 
1 1 1 6   -2  10 o 257.403 4.8779  8886.92   336.304   8938.67   475.371   8835.08   475.839   258.155 6.8749  256.652 6.9219  1.502899       9.755856 
1 1 1 6   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -2  12 o 342.939 6.3831  15790.23  586.323   15763.81  828.899   15816.70  829.472   342.652 9.0315  343.227 9.0226  -0.5751343     12.76617 
1 1 1 6   -2  13 o 249.610 4.7939  8357.01   320.474   8200.69   452.821   8513.88   453.619   247.268 6.8371  251.952 6.7218  -4.683777      9.587892 
1 1 1 6   -2  14 o 473.944 8.8195  30247.85  1119.60   30198.19  1583.05   30297.55  1583.65   473.553 12.481  474.335 12.465  -0.7817688     17.63907 
1 1 1 6   -2  15 o 540.101 10.029  39393.21  1450.69   38609.37  2050.65   40178.47  2052.51   534.680 14.319  545.522 14.047  -10.84241      20.05864 
1 1 1 6   -2  16 o 218.309 4.2479  6394.63   248.379   6321.26   350.923   6468.29   351.600   217.052 6.0361  219.566 5.9785  -2.513794      8.495768 
1 1 1 6   -2  17 o 202.606 3.9488  5510.09   214.267   5602.98   302.823   5416.96   303.215   204.320 5.5334  200.892 5.6351  3.428299       7.897603 
1 1 1 6   -2  18 o 187.675 3.7505  4732.20   188.347   4482.07   265.882   4984.15   266.847   182.682 5.4338  192.669 5.1709  -9.986160      7.500936 
1 1 1 6   -2  19 o 31.960  1.7280  138.725   14.533    158.471   20.408    118.409   20.700    34.316  2.2325  29.605  2.6381  4.711096       3.455978 
1 1 1 6   -2  20 o 53.416  1.8090  382.646   25.871    390.175   36.328    374.898   36.852    53.950  2.5140  52.882  2.6018  1.068504       3.617904 
1 1 1 6   -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -2  22 o 166.650 3.3988  3735.98   151.709   3699.16   214.287   3772.98   214.813   165.824 4.8246  167.476 4.7887  -1.651810      6.797647 
1 1 1 6   -2  23 o 39.554  1.7994  211.210   18.904    227.275   26.560    194.714   26.914    41.099  2.4234  38.009  2.6604  3.089264       3.598703 
1 1 1 6   -2  24 o 131.644 2.8720  2329.51   101.262   2354.68   143.059   2304.23   143.355   132.360 4.0352  130.928 4.0878  1.431961       5.743968 
1 1 1 6   -2  25 o 131.670 2.8368  2330.58   100.046   2311.97   141.319   2349.29   141.655   131.141 4.0232  132.198 4.0005  -1.057144      5.673662 
1 1 1 6   -2  26 o 156.620 3.2086  3303.39   134.573   3381.61   190.318   3225.17   190.311   158.484 4.4834  154.755 4.5912  3.729279       6.417174 
1 1 1 6   -2  27 o 116.096 2.6287  1812.96   81.741    1825.65   115.549   1800.25   115.651   116.505 3.7028  115.687 3.7323  0.8173599      5.257453 
1 1 1 6   -2  28 o 81.617  2.2289  888.311   48.462    1029.18   71.961    771.401   65.557    87.497  3.0705  75.736  3.2317  11.76150       4.457788 
1 1 1 6   -2  29 o 60.294  2.1089  483.385   33.774    551.993   51.375    431.166   44.821    64.052  2.9945  56.535  2.9703  7.517467       4.217781 
1 1 1 6   -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -2  31 o 132.012 2.9363  2366.18   103.708   2432.22   150.985   2307.19   142.695   133.723 4.2154  130.300 4.0886  3.422882       5.872505 
1 1 1 6   -2  32 o 61.141  3.2788  508.188   53.500    508.188   53.500    0.0000    0.0000    61.141  3.2788  ?       ?       ?              ?        
1 1 1 6   -2  33 o 73.174  3.4091  728.970   66.817    728.970   66.817    0.0000    0.0000    73.174  3.4091  ?       ?       ?              ?        
1 1 1 6   -2  34 o 13.521  3.0269  21.007    15.505    -17.6928  25.249    44.438    19.646    9.4320  4.3404  17.611  4.2202  -8.178800      6.053839 
1 1 1 6   -2  35 o 7.0403  3.1098  -3.3123   11.511    0.0000    0.0000    -3.3123   11.511    ?       ?       7.0403  3.1098  ?              ?        
1 1 1 6   -2  36 o 8.0538  2.7621  -14.2499  10.652    -25.4539  32.092    -12.8627  11.292    10.299  4.7929  5.8082  2.7467  4.491217       5.524120 
1 1 1 6   -2  37 o 12.517  3.1042  19.733    12.310    21.510    21.490    18.865    15.019    13.145  4.7531  11.890  3.9939  1.255557       6.208311 
1 1 1 6   -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -2  39 o 42.473  2.3872  248.499   26.268    284.202   43.132    227.449   33.119    44.672  3.6364  40.274  3.0938  4.398102       4.774415 
1 1 1 6   -2  40 o 20.722  3.3197  73.041    17.551    45.625    30.991    85.986    21.296    17.012  5.7371  24.432  3.3418  -7.419230      6.639433 
1 1 1 6   -2  41 o 8.5019  2.7579  -9.3141   11.964    1.1842    24.467    -12.6133  13.716    10.471  4.5824  6.5331  3.0703  3.937783       5.515862 
1 1 1 6   -2  42 o 25.888  3.2004  101.141   19.910    115.174   36.112    95.013    23.864    26.507  5.2718  25.269  3.6302  1.238396       6.400836 
1 1 1 6   -2  43 o 18.485  3.5812  52.823    17.034    70.293    31.541    45.629    20.239    20.091  5.6336  16.879  4.4232  3.211777       7.162499 
1 1 1 6   -2  44 o 20.074  3.7879  66.877    19.394    81.750    35.933    60.764    23.038    20.896  6.0640  19.253  4.5410  1.642248       7.575763 
1 1 1 6   -2  45 o 10.001  3.1296  -20.8015  14.447    37.491    31.197    -36.7159  16.300    14.463  5.6184  5.5390  2.7590  8.923860       6.259253 
1 1 1 6   -1  0  o 65.654  2.5506  577.419   44.853    577.419   44.853    0.0000    0.0000    65.654  2.5506  ?       ?       ?              ?        
1 1 1 6   -1  1  o 22.168  2.0947  66.410    12.290    66.410    12.290    0.0000    0.0000    22.168  2.0947  ?       ?       ?              ?        
1 1 1 6   -1  2  o 157.680 4.0287  3395.55   158.538   3511.86   193.820   3160.40   275.592   161.873 4.4703  153.487 6.7036  8.386215       8.057385 
1 1 1 6   -1  3  o 127.565 2.7144  2180.59   92.744    2196.48   131.009   2164.62   131.311   128.031 3.8203  127.099 3.8572  0.9326324      5.428854 
1 1 1 6   -1  4  o 98.787  2.2665  1307.51   59.956    1269.56   84.573    1345.84   85.009    97.345  3.2436  100.228 3.1666  -2.882538      4.533014 
1 1 1 6   -1  5  o 270.984 5.0929  9853.41   369.569   9600.62   522.221   10107.03  523.081   267.496 7.2887  274.472 7.1151  -6.976196      10.18576 
1 1 1 6   -1  6  o 354.974 6.5760  16925.32  625.203   16692.21  883.794   17158.82  884.547   352.521 9.3600  357.427 9.2394  -4.906708      13.15206 
1 1 1 6   -1  7  o 520.551 9.5808  36522.14  1335.30   37733.05  1889.15   35313.14  1887.66   529.228 13.327  511.875 13.768  17.35333       19.16162 
1 1 1 6   -1  8  o 439.170 8.0973  25941.35  952.465   25699.62  1346.62   26183.35  1347.36   437.114 11.502  441.225 11.401  -4.111145      16.19462 
1 1 1 6   -1  9  o 502.011 9.2339  33938.95  1241.39   33166.43  1754.80   34712.86  1756.38   496.262 13.202  507.760 12.914  -11.49835      18.46785 
1 1 1 6   -1  10 o 190.561 3.7213  4867.45   189.939   4868.88   268.440   4866.02   268.788   190.589 5.2585  190.533 5.2669  0.5627441E-01  7.442550 
1 1 1 6   -1  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -1  12 o 368.080 6.8245  18202.64  672.481   18881.14  951.411   17525.23  950.654   374.956 9.4732  361.204 9.8261  13.75217       13.64896 
1 1 1 6   -1  13 o 278.565 5.3707  10413.39  400.646   10650.30  566.649   10176.57  566.550   281.740 7.5089  275.391 7.6807  6.349060       10.74136 
1 1 1 6   -1  14 o 298.190 5.6186  11936.03  448.752   11941.42  634.449   11930.63  634.813   298.257 7.9418  298.122 7.9499  0.1355286      11.23711 
1 1 1 6   -1  15 o 58.818  1.8521  463.498   29.176    466.401   41.075    460.542   41.450    59.004  2.5990  58.632  2.6394  0.3720360      3.704171 
1 1 1 6   -1  16 o 37.577  1.7014  189.940   17.034    189.419   23.965    190.472   24.215    37.525  2.3968  37.629  2.4154  -0.1031342     3.402739 
1 1 1 6   -1  17 o 103.027 2.3356  1422.77   64.449    1401.04   90.926    1444.72   91.365    102.236 3.3205  103.818 3.2856  -1.582573      4.671260 
1 1 1 6   -1  18 o 56.904  1.8208  434.046   27.725    409.404   38.990    459.248   39.431    55.269  2.6338  58.539  2.5148  -3.269833      3.641570 
1 1 1 6   -1  19 o 191.919 3.7540  4951.75   192.967   4994.42   272.732   4908.99   273.061   192.751 5.2826  191.088 5.3350  1.662720       7.507914 
1 1 1 6   -1  20 o 100.406 2.3446  1352.96   63.028    1394.79   89.009    1310.90   89.261    101.966 3.2590  98.846  3.3714  3.119896       4.689101 
1 1 1 6   -1  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -1  22 o 82.160  2.1366  905.745   47.013    915.053   66.216    896.282   66.759    82.587  2.9934  81.732  3.0495  0.8541946      4.273143 
1 1 1 6   -1  23 o 197.468 3.8969  5256.21   206.065   5120.12   291.037   5393.01   291.804   194.890 5.5753  200.046 5.4459  -5.156097      7.793751 
1 1 1 6   -1  24 o 115.129 2.6349  1780.56   81.252    1772.49   114.618   1788.72   115.199   114.867 3.7254  115.392 3.7272  -0.5246506     5.269760 
1 1 1 6   -1  25 o 259.623 4.9441  9133.49   343.805   9075.35   485.981   9191.75   486.448   258.787 7.0111  260.458 6.9728  -1.670929      9.888180 
1 1 1 6   -1  26 o 209.058 4.1367  5913.66   231.305   5541.27   326.593   6288.43   327.639   202.389 6.0246  215.726 5.6703  -13.33678      8.273341 
1 1 1 6   -1  27 o 61.580  1.9744  509.207   32.561    497.199   45.884    521.387   46.212    60.848  2.8154  62.313  2.7688  -1.465279      3.948729 
1 1 1 6   -1  28 o 181.985 3.7120  4489.68   180.936   4462.20   255.715   4517.23   256.050   181.422 5.2623  182.548 5.2367  -1.125916      7.423969 
1 1 1 6   -1  29 o 48.078  1.9236  311.789   24.665    308.627   34.474    315.105   35.303    47.830  2.7020  48.326  2.7386  -0.4962387     3.847155 
1 1 1 6   -1  30 o 36.784  3.6406  184.736   35.399    0.0000    0.0000    184.736   35.399    ?       ?       36.784  3.6406  ?              ?        
1 1 1 6   -1  31 o 27.946  2.0351  106.896   14.952    114.265   20.831    99.066    21.475    28.981  2.7152  26.911  3.0320  2.069614       4.070110 
1 1 1 6   -1  32 o 71.613  2.9998  694.533   57.541    694.533   57.541    0.0000    0.0000    71.613  2.9998  ?       ?       ?              ?        
1 1 1 6   -1  33 o 12.634  4.8524  15.538    23.072    15.538    23.072    0.0000    0.0000    12.634  4.8524  ?       ?       ?              ?        
1 1 1 6   -1  34 o 47.106  2.9970  309.944   36.592    303.263   57.525    314.483   47.423    46.479  4.6846  47.732  3.7392  -1.253265      5.993927 
1 1 1 6   -1  35 o 22.568  3.2502  71.041    19.080    0.0000    0.0000    71.041    19.080    ?       ?       22.568  3.2502  ?              ?        
1 1 1 6   -1  36 o 39.343  2.3799  215.585   23.929    210.735   39.098    218.490   30.257    38.797  3.8116  39.889  2.8507  -1.091393      4.759764 
1 1 1 6   -1  37 o 33.908  3.3035  168.943   28.287    178.100   36.661    155.472   44.466    35.444  3.9276  32.371  5.3128  3.073776       6.606979 
1 1 1 6   -1  38 o 6.4432  2.1368  -12.3431  9.2464    -50.0119  20.454    -2.6683   10.366    6.2070  3.0915  6.6793  2.9507  -0.4723425     4.273678 
1 1 1 6   -1  39 o 35.502  2.5236  173.588   22.906    207.624   38.670    155.190   28.430    37.911  3.8621  33.094  3.2492  4.817371       5.047107 
1 1 1 6   -1  40 o 14.941  3.4047  28.630    14.758    52.045    27.128    18.787    17.589    18.010  5.2810  11.871  4.2989  6.139027       6.809477 
1 1 1 6   -1  41 o 9.4256  2.9164  -4.0210   12.163    14.450    24.752    -9.9008   13.965    11.986  4.8873  6.8658  3.1837  5.119752       5.832750 
1 1 1 6   -1  42 o 15.313  3.3949  39.541    16.304    20.210    29.122    48.367    19.677    13.056  5.3099  17.571  4.2315  -4.514651      6.789705 
1 1 1 6   -1  43 o 19.517  3.6935  63.461    18.535    67.353    34.555    61.889    21.961    19.246  6.0286  19.788  4.2688  -0.5419273     7.386980 
1 1 1 6   -1  44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   -1  45 o 11.583  3.3890  16.521    15.228    24.447    30.874    13.973    17.505    12.758  5.3529  10.409  4.1577  2.348566       6.777912 
1 1 1 6   0   0  o 365.841 8.6002  18296.54  787.080   18816.06  962.953   17250.86  1366.16   374.170 9.6083  357.512 14.267  16.65799       17.20048 
1 1 1 6   0   1  o 83.345  2.0635  930.589   46.066    925.691   65.073    935.508   65.221    83.125  2.9226  83.565  2.9139  -0.4397049     4.127070 
1 1 1 6   0   2  o 220.290 4.2083  6508.16   248.262   6661.40   351.376   6355.41   350.816   222.882 5.8858  217.697 6.0164  5.185486       8.416671 
1 1 1 6   0   3  o 265.978 5.0128  9492.83   357.039   9730.72   505.108   9255.28   504.750   269.314 7.0022  262.641 7.1751  6.673248       10.02559 
1 1 1 6   0   4  o 119.612 2.5755  1916.97   82.514    1902.55   116.644   1931.42   116.741   119.162 3.6546  120.063 3.6301  -0.9011993     5.151096 
1 1 1 6   0   5  o 69.128  1.8599  640.174   34.432    625.756   48.627    654.672   48.762    68.347  2.6562  69.909  2.6041  -1.561676      3.719811 
1 1 1 6   0   6  o 415.232 7.6947  23182.09  855.782   23006.41  1210.05   23357.90  1210.47   413.652 10.921  416.812 10.842  -3.159760      15.38942 
1 1 1 6   0   7  o 210.229 4.0693  5926.60   229.061   6104.95   324.002   5748.38   323.881   213.395 5.6686  207.063 5.8398  6.332214       8.138525 
1 1 1 6   0   8  o 560.310 10.271  42329.04  1541.49   42583.86  2180.06   42074.25  2179.93   562.008 14.482  558.612 14.569  3.395386       20.54278 
1 1 1 6   0   9  o 388.513 7.1520  20279.20  744.248   20342.05  1052.44   20216.33  1052.61   389.117 10.098  387.909 10.131  1.208405       14.30390 
1 1 1 6   0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   0   11 o 486.473 8.9652  31849.14  1168.12   32235.45  1652.06   31462.93  1651.87   489.437 12.602  483.509 12.755  5.928406       17.93049 
1 1 1 6   0   12 o 265.335 5.0320  9443.78   357.616   9356.76   505.473   9530.98   506.017   264.110 7.1454  266.561 7.0873  -2.451019      10.06409 
1 1 1 6   0   13 o 30.693  1.7595  127.021   14.337    130.536   20.346    123.553   20.207    31.120  2.4610  30.266  2.5154  0.8538666      3.519086 
1 1 1 6   0   14 o 397.568 7.3340  21260.96  780.907   21594.87  1104.45   20927.16  1104.28   400.703 10.290  394.433 10.452  6.270020       14.66791 
1 1 1 6   0   15 o 92.661  2.1745  1150.55   53.948    1111.20   76.088    1190.33   76.502    91.067  3.1194  94.255  3.0303  -3.187668      4.348922 
1 1 1 6   0   16 o 372.932 7.0380  18754.08  702.968   18481.19  993.733   19027.42  994.561   370.198 10.022  375.665 9.8842  -5.466187      14.07601 
1 1 1 6   0   17 o 98.813  2.3296  1309.08   61.653    1325.81   87.050    1292.24   87.331    99.448  3.2680  98.179  3.3209  1.268890       4.659237 
1 1 1 6   0   18 o 65.998  1.8837  583.850   33.299    585.027   47.003    582.664   47.182    66.065  2.6562  65.931  2.6717  0.1338959      3.767452 
1 1 1 6   0   19 o 63.713  1.9051  544.888   32.418    494.516   45.611    596.315   46.086    60.731  2.8039  66.695  2.5798  -5.964508      3.810176 
1 1 1 6   0   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   0   21 o 30.781  1.7578  127.880   14.343    118.450   20.113    137.637   20.459    29.611  2.5611  31.950  2.4084  -2.338985      3.515644 
1 1 1 6   0   22 o 110.906 2.5234  1651.48   74.958    1631.17   105.747   1672.00   106.268   110.220 3.5819  111.593 3.5553  -1.373047      5.046844 
1 1 1 6   0   23 o 65.967  1.9802  583.725   34.987    574.937   49.259    592.672   49.701    65.466  2.8092  66.469  2.7916  -1.002792      3.960398 
1 1 1 6   0   24 o 286.547 5.5334  11148.65  424.680   11248.99  600.444   11048.22  600.732   287.856 7.7877  285.238 7.8629  2.617828       11.06677 
1 1 1 6   0   25 o 73.435  2.0903  724.823   41.035    775.062   57.949    674.294   58.116    75.996  2.8469  70.873  3.0615  5.123566       4.180575 
1 1 1 6   0   26 o 92.655  2.3023  1153.62   57.108    1107.57   80.525    1200.22   81.002    90.789  3.3114  94.521  3.1995  -3.731461      4.604560 
1 1 1 6   0   27 o 97.163  2.3839  1270.30   62.016    1310.14   87.607    1230.29   87.800    98.698  3.3139  95.629  3.4278  3.069313       4.767793 
1 1 1 6   0   28 o 165.880 3.3888  3727.07   150.565   3713.23   212.727   3740.97   213.136   165.569 4.7968  166.190 4.7881  -0.6206665     6.777555 
1 1 1 6   0   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   0   30 o 31.882  1.9589  138.194   16.435    118.204   22.910    159.386   23.589    29.458  2.9430  34.306  2.5862  -4.847689      3.917853 
1 1 1 6   0   31 o 97.489  2.4261  1289.89   63.307    1341.07   89.377    1238.35   89.683    99.458  3.3551  95.519  3.5053  3.938187       4.852182 
1 1 1 6   0   32 o 14.788  3.7685  30.986    14.970    30.986    14.970    0.0000    0.0000    14.788  3.7685  ?       ?       ?              ?        
1 1 1 6   0   33 o 38.167  2.7329  198.421   27.753    198.421   27.753    0.0000    0.0000    38.167  2.7329  ?       ?       ?              ?        
1 1 1 6   0   34 o 10.289  3.8879  10.836    14.660    0.0000    0.0000    10.836    14.660    ?       ?       10.289  3.8879  ?              ?        
1 1 1 6   0   35 o 27.515  3.0431  104.676   22.052    0.0000    0.0000    104.676   22.052    ?       ?       27.515  3.0431  ?              ?        
1 1 1 6   0   36 o 21.591  2.4605  66.760    13.556    78.200    18.900    54.640    19.453    23.685  3.0501  19.497  3.8617  4.188379       4.920934 
1 1 1 6   0   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   0   38 o 22.711  3.2687  90.271    18.767    39.183    31.603    118.101   23.325    16.421  5.7832  29.001  3.0484  -12.58013      6.537457 
1 1 1 6   0   39 o 10.927  3.0731  8.5522    12.800    21.549    22.825    2.5899    15.460    12.975  4.8620  8.8786  3.7598  4.096471       6.146113 
1 1 1 6   0   40 o 12.138  3.1494  19.691    14.131    -0.0705   26.054    27.928    16.820    10.667  4.6969  13.609  4.1969  -2.941648      6.298839 
1 1 1 6   0   41 o 11.975  3.2782  18.007    14.832    9.2633    26.211    22.126    17.990    11.549  4.8934  12.401  4.3638  -0.8518410     6.556490 
1 1 1 6   0   42 o 10.191  3.1130  -5.3243   14.144    23.839    27.765    -15.5450  16.437    13.357  5.2674  7.0245  3.3194  6.332281       6.226086 
1 1 1 6   0   43 f 11.643  3.3223  16.062    16.025    -0.2475   30.170    22.470    18.913    10.968  4.9270  12.317  4.4581  -1.349494      6.644577 
1 1 1 6   0   44 o 12.639  3.4069  25.078    16.582    4.3002    32.354    32.480    19.311    11.335  5.0962  13.942  4.5230  -2.606886      6.813882 
1 1 1 6   1   0  o 300.426 5.6624  12117.48  455.563   12379.54  644.137   11855.22  644.390   303.684 7.9189  297.168 8.0958  6.516174       11.32479 
1 1 1 6   1   1  o 393.169 7.2974  20783.24  768.425   20467.67  1086.27   21099.33  1087.17   390.170 10.394  396.167 10.245  -5.996918      14.59482 
1 1 1 6   1   2  o 229.876 4.3711  7086.70   269.131   7159.80   380.832   7013.77   380.385   231.062 6.1534  228.691 6.2099  2.371353       8.742279 
1 1 1 6   1   3  o 301.807 5.6173  12225.52  454.081   12324.30  642.377   12126.88  641.959   303.027 7.9144  300.586 7.9735  2.441803       11.23454 
1 1 1 6   1   4  o 277.334 5.2252  10320.12  388.118   10164.89  548.731   10475.52  549.033   275.244 7.4431  279.425 7.3357  -4.181335      10.45048 
1 1 1 6   1   5  o 195.548 3.8052  5125.99   199.305   5124.48   281.847   5127.51   281.872   195.519 5.3819  195.577 5.3808  -0.5789185E-01 7.610380 
1 1 1 6   1   6  o 197.176 3.8386  5213.99   202.583   4982.45   286.287   5446.20   286.704   192.786 5.5442  201.567 5.3104  -8.780624      7.677106 
1 1 1 6   1   7  o 262.150 4.9395  9218.88   346.772   9420.77   490.488   9017.12   490.332   265.024 6.9096  259.275 7.0606  5.748566       9.879006 
1 1 1 6   1   8  o 116.484 2.5331  1818.00   79.027    1842.97   111.704   1792.97   111.818   117.286 3.5558  115.683 3.6087  1.602646       5.066217 
1 1 1 6   1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   1   10 o 217.178 4.1834  6323.30   243.350   6289.69   344.063   6356.94   344.236   216.600 5.9305  217.756 5.9020  -1.156143      8.366851 
1 1 1 6   1   11 o 457.408 8.4237  28142.60  1031.96   27758.90  1459.00   28526.74  1459.84   454.275 11.991  460.541 11.834  -6.266113      16.84732 
1 1 1 6   1   12 o 274.085 5.2307  10079.71  383.950   10276.52  543.045   9882.98   542.930   276.765 7.3255  271.404 7.4686  5.360504       10.46147 
1 1 1 6   1   13 o 253.366 4.8558  8614.29   329.419   8876.02   465.932   8352.69   465.806   257.222 6.7628  249.511 6.9699  7.711288       9.711580 
1 1 1 6   1   14 o 77.687  2.0546  808.556   42.743    784.196   60.184    833.347   60.716    76.506  2.9369  78.868  2.8742  -2.361832      4.109299 
1 1 1 6   1   15 o 95.303  2.2602  1217.12   57.695    1207.83   81.402    1226.49   81.786    94.938  3.2012  95.668  3.1917  -0.7307053     4.520427 
1 1 1 6   1   16 o 180.596 3.6132  4377.65   174.753   4282.58   246.845   4473.17   247.432   178.626 5.1593  182.566 5.0600  -3.939224      7.226458 
1 1 1 6   1   17 o 110.581 2.5059  1639.92   74.222    1645.46   104.790   1634.35   105.143   110.769 3.5319  110.393 3.5559  0.3757248      5.011878 
1 1 1 6   1   18 o 147.320 3.0586  2913.97   120.685   2882.40   170.444   2945.71   170.906   146.518 4.3431  148.122 4.3077  -1.603500      6.117112 
1 1 1 6   1   19 o 78.706  3.1713  856.632   64.596    1044.89   89.001    647.079   93.901    88.230  3.7661  69.182  5.1035  19.04866       6.342629 
1 1 1 6   1   20 o 150.928 3.1248  3061.24   126.322   3063.28   178.443   3059.19   178.850   150.979 4.4126  150.877 4.4256  0.1024017      6.249578 
1 1 1 6   1   21 o 172.970 3.5771  4027.18   165.691   4117.06   234.201   3937.12   234.445   174.912 4.9989  171.027 5.1178  3.884842       7.154139 
1 1 1 6   1   22 o 89.786  2.2416  1081.98   53.902    1098.58   76.065    1065.24   76.394    90.479  3.1387  89.092  3.2014  1.387238       4.483298 
1 1 1 6   1   23 o 109.836 2.4955  1619.94   73.415    1603.56   103.594   1636.47   104.058   109.277 3.5393  110.395 3.5191  -1.117325      4.991080 
1 1 1 6   1   24 o 38.012  1.8974  194.924   19.154    179.979   26.939    210.205   27.241    36.521  2.7746  39.502  2.5889  -2.981316      3.794858 
1 1 1 6   1   25 o 49.149  1.8860  325.051   24.734    320.513   34.758    329.706   35.204    48.801  2.6693  49.498  2.6651  -0.6971397     3.772012 
1 1 1 6   1   26 o 171.560 3.4833  3975.96   159.964   4135.74   226.217   3816.16   226.230   175.037 4.8251  168.083 5.0250  6.954605       6.966520 
1 1 1 6   1   27 o 217.267 4.3437  6427.01   252.745   6301.32   357.137   6553.12   357.734   215.107 6.1986  219.428 6.0867  -4.320786      8.687343 
1 1 1 6   1   28 o 100.804 2.4595  1370.21   66.405    1374.78   93.535    1365.57   94.291    100.977 3.4583  100.631 3.4983  0.3466415      4.919098 
1 1 1 6   1   29 o 43.364  1.9104  254.197   22.052    238.518   30.980    270.302   31.397    41.993  2.7699  44.735  2.6319  -2.741978      3.820897 
1 1 1 6   1   30 o 56.390  1.9961  429.621   30.100    426.357   42.349    432.954   42.790    56.138  2.8255  56.641  2.8205  -0.5030632     3.992278 
1 1 1 6   1   31 o 31.653  2.0117  137.344   16.728    155.211   23.536    119.105   23.779    33.803  2.6199  29.502  3.0535  4.300798       4.023390 
1 1 1 6   1   32 o 32.584  2.7733  144.811   23.973    144.811   23.973    0.0000    0.0000    32.584  2.7733  ?       ?       ?              ?        
1 1 1 6   1   33 o 17.090  3.7132  41.520    16.511    41.520    16.511    0.0000    0.0000    17.090  3.7132  ?       ?       ?              ?        
1 1 1 6   1   34 o 56.567  2.9040  436.956   43.851    0.0000    0.0000    436.956   43.851    ?       ?       56.567  2.9040  ?              ?        
1 1 1 6   1   35 o 22.568  3.4294  71.609    20.078    0.0000    0.0000    71.609    20.078    ?       ?       22.568  3.4294  ?              ?        
1 1 1 6   1   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   1   37 o 19.785  2.6982  57.362    13.711    77.373    19.757    38.773    19.042    23.391  3.2404  16.178  4.3151  7.213285       5.396307 
1 1 1 6   1   38 f 19.346  2.7492  55.022    13.747    48.515    19.039    62.109    19.868    18.064  4.0367  20.629  3.7333  -2.564646      5.498379 
1 1 1 6   1   39 o 40.062  2.1350  226.920   22.570    194.767   31.426    261.168   32.434    36.985  3.2040  43.140  2.8225  -6.154926      4.269939 
1 1 1 6   1   40 o 10.781  2.9424  11.642    13.468    -18.9980  25.739    23.194    15.804    9.0200  4.2284  12.542  4.0930  -3.521825      5.884868 
1 1 1 6   1   41 o 31.727  3.1041  152.842   23.747    159.012   42.169    149.977   28.737    31.405  5.1946  32.049  3.3995  -0.6436462     6.208108 
1 1 1 6   1   42 o 16.359  3.6622  45.294    17.478    38.122    33.298    48.021    20.534    15.377  5.8475  17.341  4.4106  -1.964725      7.324395 
1 1 1 6   1   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   2   0  f 287.283 5.4012  11076.43  415.547   10841.13  587.120   11312.62  588.226   284.220 7.7123  290.346 7.5638  -6.126190      10.80234 
1 1 1 6   2   1  o 185.807 3.6465  4628.09   181.470   4673.63   256.462   4582.42   256.812   186.724 5.1278  184.891 5.1858  1.833115       7.292917 
1 1 1 6   2   2  o 501.132 9.2390  33834.73  1239.65   34929.10  1754.07   32742.71  1752.19   509.274 12.859  492.989 13.270  16.28558       18.47791 
1 1 1 6   2   3  o 235.184 4.4591  7417.24   280.892   7402.45   397.367   7432.01   397.115   234.949 6.3144  235.418 6.2978  -0.4694061     8.918133 
1 1 1 6   2   4  o 330.827 6.1727  14694.10  546.955   14837.35  773.713   14551.00  773.311   332.442 8.6891  329.211 8.7698  3.231110       12.34546 
1 1 1 6   2   5  o 263.729 4.9786  9329.71   351.675   9255.00   497.263   9404.47   497.423   262.671 7.0678  264.787 7.0136  -2.115906      9.957144 
1 1 1 6   2   6  o 439.601 8.0643  25987.07  949.495   26279.14  1342.96   25695.15  1342.61   442.081 11.342  437.121 11.467  4.959259       16.12854 
1 1 1 6   2   7  o 398.704 7.3598  21363.42  785.750   20766.07  1110.73   21961.81  1111.71   393.106 10.549  404.302 10.266  -11.19574      14.71969 
1 1 1 6   2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   2   9  o 228.782 4.3659  7017.77   267.524   7089.18   378.302   6946.35   378.369   229.947 6.1422  227.616 6.2062  2.330963       8.731716 
1 1 1 6   2   10 o 73.263  1.9709  719.281   38.647    685.054   54.546    753.780   54.764    71.512  2.8477  75.014  2.7256  -3.502144      3.941864 
1 1 1 6   2   11 o 247.199 4.7215  8196.51   312.559   8389.60   442.072   8003.50   441.977   250.115 6.5988  244.284 6.7549  5.831268       9.443093 
1 1 1 6   2   12 o 159.614 3.2403  3415.57   138.467   3537.26   195.846   3293.94   195.797   162.460 4.5007  156.769 4.6629  5.691269       6.480669 
1 1 1 6   2   13 o 347.273 6.5088  16209.68  605.412   16318.46  856.158   16100.89  856.207   348.443 9.1735  346.104 9.2360  2.339142       13.01752 
1 1 1 6   2   14 f 177.673 3.5280  4233.56   167.896   4223.15   237.302   4244.00   237.581   177.454 4.9926  177.892 4.9862  -0.4379578     7.056042 
1 1 1 6   2   15 o 210.014 4.1642  5924.56   234.102   6162.67   331.147   5686.68   330.993   214.245 5.7706  205.784 6.0051  8.461548       8.328314 
1 1 1 6   2   16 o 394.353 7.3790  21055.17  779.416   21120.76  1102.16   20989.55  1102.36   394.974 10.418  393.731 10.453  1.243042       14.75799 
1 1 1 6   2   17 o 184.052 3.6616  4552.92   180.458   4679.67   255.179   4426.13   255.234   186.624 5.1049  181.480 5.2507  5.143082       7.323278 
1 1 1 6   2   18 o 106.074 2.4538  1509.68   69.710    1526.00   98.428    1493.25   98.743    106.650 3.4456  105.497 3.4945  1.153336       4.907510 
1 1 1 6   2   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   2   20 o 110.903 2.5198  1651.06   74.851    1651.03   105.650   1651.09   106.061   110.902 3.5566  110.904 3.5704  -0.1121521E-02 5.039609 
1 1 1 6   2   21 o 124.504 2.7623  2082.41   92.110    2110.98   130.105   2053.70   130.424   125.363 3.8747  123.644 3.9382  1.718559       5.524688 
1 1 1 6   2   22 o 63.762  2.0187  545.423   34.474    546.806   48.495    544.011   49.016    63.845  2.8358  63.680  2.8737  0.1648407      4.037350 
1 1 1 6   2   23 o 133.552 2.9233  2398.05   104.557   2440.86   147.721   2355.08   148.011   134.752 4.0928  132.353 4.1751  2.398880       5.846606 
1 1 1 6   2   24 o 191.285 3.7958  4936.14   194.473   4884.06   274.759   4988.42   275.295   190.268 5.3913  192.303 5.3447  -2.034256      7.591613 
1 1 1 6   2   25 o 135.143 2.8874  2458.68   104.506   2496.10   147.619   2421.08   147.970   136.180 4.0471  134.106 4.1194  2.074265       5.774816 
1 1 1 6   2   26 o 126.643 2.8456  2162.25   96.486    2233.74   136.415   2090.67   136.488   128.752 3.9557  124.534 4.0918  4.218208       5.691253 
1 1 1 6   2   27 o 112.650 2.6144  1711.78   78.851    1767.60   111.420   1655.76   111.606   114.504 3.6329  110.797 3.7607  3.707939       5.228859 
1 1 1 6   2   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   2   29 o 75.603  2.1435  771.559   43.403    779.823   61.243    763.221   61.521    76.014  3.0080  75.191  3.0547  0.8225250      4.287068 
1 1 1 6   2   30 o 11.606  2.2753  13.310    9.3873    36.935    13.699    -7.6032   12.889    16.230  3.2644  6.9822  3.1703  9.247842       4.550513 
1 1 1 6   2   31 o 41.897  1.9376  238.375   21.617    230.059   30.294    247.002   30.855    41.144  2.7649  42.650  2.7151  -1.505348      3.875139 
1 1 1 6   2   32 o 34.568  2.7461  162.936   25.217    162.936   25.217    0.0000    0.0000    34.568  2.7461  ?       ?       ?              ?        
1 1 1 6   2   33 o 41.685  2.7849  237.064   30.916    237.064   30.916    0.0000    0.0000    41.685  2.7849  ?       ?       ?              ?        
1 1 1 6   2   34 o 41.865  2.9100  240.209   32.429    0.0000    0.0000    240.209   32.429    ?       ?       41.865  2.9100  ?              ?        
1 1 1 6   2   35 o 31.541  3.0576  137.760   25.506    0.0000    0.0000    137.760   25.506    ?       ?       31.541  3.0576  ?              ?        
1 1 1 6   2   36 o 19.881  2.8230  57.669    14.505    69.546    20.701    46.216    20.329    22.059  3.6300  17.703  4.3244  4.356104       5.645985 
1 1 1 6   2   37 o 12.736  2.9627  21.524    12.192    11.809    16.816    32.288    17.700    10.690  4.1327  14.782  4.2462  -4.092023      5.925320 
1 1 1 6   2   38 o 9.0463  2.6185  2.7720    10.758    13.106    15.040    -8.0568   15.395    10.545  3.9476  7.5472  3.4414  2.998195       5.237086 
1 1 1 6   2   39 o 32.888  2.2467  154.654   19.543    156.005   27.527    153.282   27.749    33.054  3.1473  32.723  3.2071  0.3301582      4.493418 
1 1 1 6   2   40 o 32.948  2.3143  156.406   20.002    134.434   27.565    180.841   29.069    30.361  3.4510  35.536  3.0846  -5.175529      4.628649 
1 1 1 6   2   41 o 27.808  2.5020  114.503   17.775    88.991    24.701    141.900   25.598    24.246  3.9387  31.370  3.0864  -7.123724      5.003942 
1 1 1 6   2   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   2   43 o 13.660  3.6246  30.466    17.021    25.321    34.280    32.150    19.609    13.415  5.6352  13.906  4.5601  -0.4905605     7.249161 
1 1 1 6   3   0  o 159.755 3.2046  3420.44   137.101   3338.76   193.486   3502.80   194.296   157.838 4.5767  161.671 4.4869  -3.833176      6.409193 
1 1 1 6   3   1  o 145.872 3.0251  2852.04   118.163   2926.06   166.958   2777.76   167.259   147.770 4.2183  143.974 4.3373  3.795914       6.050254 
1 1 1 6   3   2  o 137.158 2.8627  2520.76   105.168   2520.62   148.744   2520.91   148.716   137.154 4.0489  137.162 4.0479  -0.7949829E-02 5.725351 
1 1 1 6   3   3  o 364.095 6.7445  17805.94  657.701   18022.11  930.488   17590.10  929.771   366.309 9.4836  361.880 9.5923  4.429016       13.48891 
1 1 1 6   3   4  o 169.854 3.4228  3866.62   155.720   3870.60   220.346   3862.66   220.098   169.942 4.8408  169.767 4.8403  0.1743927      6.845570 
1 1 1 6   3   5  o 455.645 8.4298  27926.29  1028.80   27847.99  1454.96   28004.58  1454.93   455.003 11.938  456.286 11.905  -1.283081      16.85963 
1 1 1 6   3   6  f 317.064 5.8954  13492.08  500.626   13296.43  707.833   13687.91  708.152   314.759 8.3958  319.368 8.2784  -4.609344      11.79075 
1 1 1 6   3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   3   8  o 128.528 2.7402  2213.35   94.335    2222.91   133.348   2203.77   133.472   128.806 3.8651  128.250 3.8855  0.5560913      5.480490 
1 1 1 6   3   9  o 300.330 5.6405  12102.48  453.732   12152.70  641.686   12052.26  641.661   300.954 7.9604  299.706 7.9932  1.248535       11.28091 
1 1 1 6   3   10 o 552.323 10.139  41119.29  1499.88   40625.93  2120.69   41613.07  2121.61   548.987 14.422  555.658 14.255  -6.671143      20.27804 
1 1 1 6   3   11 o 261.469 4.9828  9172.26   348.936   9315.62   493.508   9028.94   493.431   263.516 6.9920  259.422 7.1012  4.093384       9.965638 
1 1 1 6   3   12 o 210.830 4.1040  5961.38   231.741   6038.94   327.655   5883.76   327.808   212.204 5.7647  209.456 5.8430  2.748062       8.208056 
1 1 1 6   3   13 o 188.719 3.7393  4777.18   188.991   4861.77   267.178   4692.46   267.368   190.394 5.2391  187.044 5.3368  3.349792       7.478594 
1 1 1 6   3   14 o 149.597 3.0539  3001.23   122.352   2944.25   172.825   3058.47   173.239   148.172 4.3546  151.022 4.2827  -2.850067      6.107714 
1 1 1 6   3   15 o 258.883 4.9268  9017.02   341.612   9115.80   483.048   8918.19   483.178   260.308 6.9281  257.458 7.0067  2.850189       9.853525 
1 1 1 6   3   16 o 259.078 4.9928  9043.21   346.430   9192.80   489.887   8893.57   489.965   261.234 7.0013  256.921 7.1199  4.312408       9.985567 
1 1 1 6   3   17 o 26.120  1.7445  92.315    12.038    85.988    16.945    98.761    17.105    25.199  2.5455  27.040  2.3862  -1.840601      3.489057 
1 1 1 6   3   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   3   19 o 126.345 2.7497  2143.64   93.052    2155.61   131.436   2131.62   131.754   126.700 3.8730  125.990 3.9042  0.7096939      5.499402 
1 1 1 6   3   20 o 188.122 3.7927  4765.61   191.107   4740.98   270.042   4790.32   270.491   187.633 5.3732  188.610 5.3542  -0.9773712     7.585466 
1 1 1 6   3   21 o 180.330 3.6203  4378.21   174.847   4299.25   246.978   4457.56   247.566   178.693 5.1601  181.968 5.0793  -3.275360      7.240624 
1 1 1 6   3   22 o 75.118  2.0930  757.110   42.112    758.000   59.409    756.211   59.703    75.163  2.9509  75.073  2.9691  0.8963013E-01  4.186098 
1 1 1 6   3   23 o 126.659 2.7534  2156.31   93.406    2172.21   131.942   2140.33   132.250   127.129 3.8748  126.189 3.9128  0.9405212      5.506714 
1 1 1 6   3   24 o 77.036  2.1156  796.784   43.653    795.781   61.485    797.803   61.987    76.988  2.9817  77.084  3.0022  -0.9642792E-01 4.231285 
1 1 1 6   3   25 o 111.393 2.5850  1670.00   77.113    1705.31   108.942   1634.55   109.166   112.579 3.6128  110.207 3.6982  2.372604       5.170024 
1 1 1 6   3   26 o 47.344  1.9874  302.708   25.052    317.824   35.204    287.201   35.657    48.558  2.7177  46.130  2.9006  2.427956       3.974833 
1 1 1 6   3   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   3   28 o 97.415  2.4171  1282.27   63.066    1264.78   88.942    1299.96   89.439    96.743  3.4324  98.087  3.4043  -1.343506      4.834281 
1 1 1 6   3   29 o 41.609  1.9083  234.565   21.142    243.370   29.939    225.806   29.861    42.400  2.6495  40.819  2.7472  1.581451       3.816641 
1 1 1 6   3   30 o 10.868  2.3956  11.346    9.4015    29.620    13.497    -5.8788   13.103    14.477  3.5157  7.2590  3.2549  7.217890       4.791120 
1 1 1 6   3   31 o 29.311  2.0319  117.527   15.737    112.303   22.106    122.894   22.408    28.634  2.9233  29.988  2.8229  -1.354076      4.063826 
1 1 1 6   3   32 o 63.319  2.9067  544.731   49.297    544.731   49.297    0.0000    0.0000    63.319  2.9067  ?       ?       ?              ?        
1 1 1 6   3   33 o 61.869  2.9772  521.837   49.337    521.837   49.337    0.0000    0.0000    61.869  2.9772  ?       ?       ?              ?        
1 1 1 6   3   34 o 41.063  2.8618  231.396   31.279    0.0000    0.0000    231.396   31.279    ?       ?       41.063  2.8618  ?              ?        
1 1 1 6   3   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   3   36 o 31.971  2.2409  143.348   18.908    149.639   26.538    136.862   26.948    32.737  3.0620  31.206  3.2727  1.530272       4.481817 
1 1 1 6   3   37 o 33.415  2.1793  156.999   19.279    152.575   26.890    161.678   27.654    32.925  3.0851  33.904  3.0788  -0.9785995     4.358576 
1 1 1 6   3   38 f 29.266  2.3465  122.712   17.970    108.499   24.981    137.957   25.871    27.398  3.4828  31.135  3.1454  -3.737022      4.692906 
1 1 1 6   3   39 o 11.339  2.9421  16.563    11.867    20.934    16.341    11.686    17.263    12.124  4.1651  10.555  4.1563  1.568928       5.884102 
1 1 1 6   3   40 o 22.977  2.8286  80.272    16.483    57.282    22.791    105.486   23.868    19.077  4.5281  26.877  3.3910  -7.799732      5.657102 
1 1 1 6   3   41 o 15.215  3.2370  36.935    14.263    34.357    19.645    39.809    20.741    14.702  4.5359  15.728  4.6193  -1.026240      6.474000 
1 1 1 6   3   42 o 8.2997  2.6272  -2.8833   12.019    -3.3215   16.946    -2.4397   17.050    8.2386  3.6974  8.3608  3.7334  -0.1221476     5.254422 
1 1 1 6   4   0  o 499.526 9.2117  33598.86  1232.48   33361.68  1742.43   33836.34  1743.57   497.753 13.069  501.299 12.985  -3.545776      18.42348 
1 1 1 6   4   1  o 257.173 4.8630  8870.83   334.978   8905.04   473.540   8836.56   473.922   257.670 6.8612  256.676 6.8934  0.9945374      9.726027 
1 1 1 6   4   2  o 736.649 13.535  73555.44  2667.32   77740.70  3775.48   69384.86  3768.85   757.816 18.600  715.482 19.666  42.33405       27.06903 
1 1 1 6   4   3  o 402.582 7.4213  21779.58  800.211   21551.38  1131.64   22007.81  1131.70   400.466 10.550  404.699 10.440  -4.232758      14.84256 
1 1 1 6   4   4  o 414.592 7.6702  23101.85  851.750   23257.12  1204.85   22946.73  1204.26   415.990 10.813  413.195 10.881  2.794342       15.34046 
1 1 1 6   4   5  o 225.861 6.2034  6859.66   374.403   7376.44   528.247   6338.00   530.734   234.445 8.4122  217.277 9.1196  17.16769       12.40689 
1 1 1 6   4   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   4   7  o 242.679 4.6259  7897.20   300.671   8005.00   425.330   7789.52   425.097   244.337 6.4990  241.022 6.5848  3.314880       9.251867 
1 1 1 6   4   8  o 445.535 8.1784  26688.48  975.975   26659.88  1380.11   26717.10  1380.36   445.295 11.571  445.775 11.561  -0.4792175     16.35679 
1 1 1 6   4   9  o 58.037  1.8541  451.332   28.803    430.766   40.638    472.091   40.829    56.708  2.6755  59.366  2.5677  -2.658314      3.708263 
1 1 1 6   4   10 o 40.685  1.7203  222.553   18.654    215.112   26.323    230.060   26.440    39.997  2.4691  41.373  2.3961  -1.376163      3.440627 
1 1 1 6   4   11 o 116.625 2.5474  1822.52   79.575    1814.69   112.466   1830.36   112.606   116.374 3.6081  116.876 3.5971  -0.5015488     5.094823 
1 1 1 6   4   12 o 344.651 6.4419  15978.04  594.582   15630.46  840.477   16326.27  841.254   340.883 9.2052  348.419 9.0144  -7.536072      12.88386 
1 1 1 6   4   13 o 164.342 3.3151  3623.06   145.884   3517.42   206.082   3729.18   206.540   161.937 4.7512  166.747 4.6244  -4.810059      6.630185 
1 1 1 6   4   14 f 148.526 3.0839  2959.47   122.686   2941.41   173.338   2977.60   173.669   148.072 4.3705  148.981 4.3522  -0.9090424     6.167883 
1 1 1 6   4   15 o 238.615 4.6262  7665.45   295.486   7344.98   417.427   7987.32   418.336   233.591 6.6717  243.639 6.4105  -10.04778      9.252321 
1 1 1 6   4   16 o 119.884 2.6162  1928.79   83.987    1976.17   118.669   1881.25   118.882   121.362 3.6506  118.406 3.7485  2.956284       5.232412 
1 1 1 6   4   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   4   18 o 161.598 3.3623  3511.11   145.516   3442.31   205.539   3580.25   206.043   160.006 4.7959  163.191 4.7138  -3.185165      6.724621 
1 1 1 6   4   19 o 68.526  2.0388  629.935   37.416    637.805   52.717    621.946   53.114    68.958  2.8541  68.093  2.9121  0.8648148      4.077574 
1 1 1 6   4   20 o 121.627 2.6660  1986.68   86.851    1992.20   122.596   1981.12   123.055   121.797 3.7579  121.456 3.7826  0.3415375      5.332018 
1 1 1 6   4   21 o 241.158 4.7061  7861.06   303.869   7601.66   429.230   8121.69   430.243   237.135 6.7578  245.180 6.5515  -8.045593      9.412213 
1 1 1 6   4   22 f 54.831  1.9148  404.147   27.980    365.180   39.230    444.496   39.919    52.095  2.8220  57.567  2.5889  -5.471741      3.829631 
1 1 1 6   4   23 o 50.470  1.9327  343.070   26.008    353.495   36.475    332.288   37.096    51.259  2.6659  49.681  2.7991  1.577713       3.865468 
1 1 1 6   4   24 o 138.228 2.9665  2573.95   109.823   2604.31   155.058   2543.38   155.570   139.052 4.1632  137.403 4.2271  1.648392       5.932996 
1 1 1 6   4   25 o 141.838 3.0288  2715.10   115.061   2682.75   162.372   2747.74   163.072   140.985 4.2998  142.691 4.2667  -1.705811      6.057515 
1 1 1 6   4   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   4   27 o 109.938 2.5560  1633.45   75.262    1612.23   106.181   1654.88   106.693   109.216 3.6297  110.659 3.5997  -1.443535      5.111983 
1 1 1 6   4   28 o 61.337  2.0034  507.601   32.908    513.972   46.346    501.122   46.736    61.730  2.8030  60.944  2.8631  0.7858734      4.006757 
1 1 1 6   4   29 o 46.474  1.9450  292.822   24.097    297.779   33.927    287.777   34.232    46.880  2.7135  46.068  2.7874  0.8115540      3.890058 
1 1 1 6   4   30 o 36.419  1.9629  180.898   18.951    194.172   26.681    167.383   26.922    37.804  2.6518  35.035  2.8948  2.768387       3.925790 
1 1 1 6   4   31 o 53.676  1.9962  392.056   28.575    415.366   40.102    368.012   40.729    55.368  2.7041  51.983  2.9372  3.384811       3.992368 
1 1 1 6   4   32 o 69.093  2.9722  649.942   55.005    649.942   55.005    0.0000    0.0000    69.093  2.9722  ?       ?       ?              ?        
1 1 1 6   4   33 o 12.197  4.0055  19.972    15.127    19.972    15.127    0.0000    0.0000    12.197  4.0055  ?       ?       ?              ?        
1 1 1 6   4   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   4   35 o 7.4738  3.3628  -6.0218   14.121    0.0000    0.0000    -6.0218   14.121    ?       ?       7.4738  3.3628  ?              ?        
1 1 1 6   4   36 o 27.509  2.3696  107.612   17.020    117.141   24.001    97.971    24.141    28.836  3.1591  26.182  3.5327  2.653891       4.739191 
1 1 1 6   4   37 o 9.2294  2.6659  5.9264    10.448    4.0473    15.388    7.5335    14.231    9.0798  3.7922  9.3790  3.7480  -0.2991915     5.331768 
1 1 1 6   4   38 o 17.403  2.8509  46.731    13.406    63.067    18.786    29.777    19.138    20.746  3.5057  14.060  4.4967  6.686283       5.701727 
1 1 1 6   4   39 o 11.784  3.0352  18.524    12.556    22.654    17.414    14.050    18.121    12.517  4.2997  11.050  4.2850  1.466352       6.070301 
1 1 1 6   4   40 o 24.846  2.7175  92.727    17.485    92.413    24.216    93.069    25.273    24.862  3.7533  24.831  3.9308  0.3121185E-01  5.434960 
1 1 1 6   4   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   4   42 o 14.907  3.1289  36.478    14.168    51.808    20.349    22.055    19.738    17.724  4.3246  12.090  4.5231  5.634102       6.257805 
1 1 1 6   5   0  o 677.059 12.431  61977.13  2254.28   62577.18  3188.07   61377.12  3187.99   680.368 17.494  673.750 17.666  6.617249       24.86206 
1 1 1 6   5   1  o 743.107 13.614  74790.35  2709.55   73745.58  3831.10   75835.99  3832.68   737.857 19.385  748.356 19.121  -10.49908      27.22821 
1 1 1 6   5   2  o 153.109 3.1208  3141.38   127.980   3168.75   180.982   3114.00   180.999   153.776 4.3940  152.441 4.4329  1.335144       6.241586 
1 1 1 6   5   3  o 585.692 15.369  46581.48  2410.84   47323.13  3408.25   45838.80  3410.63   590.426 21.551  580.959 21.918  9.467407       30.73865 
1 1 1 6   5   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   5   5  o 366.501 6.7774  18039.57  665.107   17508.26  940.281   18571.60  940.924   361.085 9.7221  371.917 9.4454  -10.83136      13.55486 
1 1 1 6   5   6  o 207.231 4.0566  5756.91   225.161   5698.99   318.506   5814.76   318.346   206.188 5.7672  208.274 5.7066  -2.085831      8.113290 
1 1 1 6   5   7  o 347.229 6.4564  16186.55  600.474   16172.51  849.282   16200.59  849.116   347.078 9.1356  347.380 9.1258  -0.3021851     12.91277 
1 1 1 6   5   8  o 186.390 3.6430  4656.59   181.876   4642.83   257.216   4670.35   257.207   186.115 5.1597  186.666 5.1443  -0.5514374     7.286081 
1 1 1 6   5   9  o 246.237 4.6926  8132.73   309.496   8147.29   437.638   8118.15   437.747   246.458 6.6295  246.016 6.6431  0.4417572      9.385172 
1 1 1 6   5   10 o 75.874  2.0017  771.533   40.659    799.805   57.462    743.186   57.538    77.267  2.7765  74.481  2.8842  2.786011       4.003440 
1 1 1 6   5   11 o 141.438 2.9809  2681.72   112.921   2712.83   159.634   2650.57   159.754   142.260 4.1894  140.616 4.2416  1.643631       5.961744 
1 1 1 6   5   12 f 280.212 5.2882  10556.23  396.893   10638.91  561.259   10473.53  561.325   281.314 7.4488  279.110 7.5084  2.203552       10.57641 
1 1 1 6   5   13 o 242.773 4.6548  7925.21   302.626   8107.57   428.022   7742.93   427.933   245.577 6.5071  239.970 6.6578  5.607407       9.309612 
1 1 1 6   5   14 o 245.175 4.6953  8090.76   308.315   7972.91   435.786   8208.87   436.262   243.379 6.6850  246.971 6.5950  -3.591721      9.390578 
1 1 1 6   5   15 o 231.749 4.4950  7232.22   279.002   7129.51   394.323   7335.19   394.815   230.093 6.3982  233.404 6.3153  -3.311905      8.990033 
1 1 1 6   5   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   5   17 o 118.058 2.6276  1870.93   83.089    1865.18   117.327   1876.72   117.685   117.876 3.7161  118.241 3.7159  -0.3642883     5.255210 
1 1 1 6   5   18 o 157.803 3.2392  3347.91   136.899   3398.72   193.444   3296.93   193.766   159.007 4.5420  156.598 4.6196  2.409149       6.478459 
1 1 1 6   5   19 o 121.190 2.6444  1972.69   85.788    1888.25   121.017   2058.00   121.630   118.576 3.8103  123.804 3.6679  -5.227699      5.288850 
1 1 1 6   5   20 o 60.880  2.0039  497.188   32.673    487.917   46.127    506.523   46.286    60.310  2.8554  61.451  2.8121  -1.140656      4.007703 
1 1 1 6   5   21 o 169.887 3.4419  3885.85   156.569   3763.25   221.054   4009.27   221.793   167.185 4.9364  172.589 4.7978  -5.403595      6.883862 
1 1 1 6   5   22 f 41.446  1.8783  231.291   20.729    220.603   28.999    242.458   29.641    40.460  2.6912  42.431  2.6209  -1.971443      3.756562 
1 1 1 6   5   23 o 130.762 2.8521  2301.56   99.889    2314.91   141.003   2288.12   141.527   131.146 4.0141  130.378 4.0527  0.7673798      5.704151 
1 1 1 6   5   24 o 119.420 2.7096  1921.37   86.653    1958.06   122.261   1884.33   122.833   120.574 3.7857  118.266 3.8776  2.308472       5.419184 
1 1 1 6   5   25 f 72.505  2.8312  731.446   49.684    762.393   59.707    661.773   89.588    75.284  2.9610  69.726  4.8266  5.557884       5.662481 
1 1 1 6   5   26 o 95.658  2.3412  1234.29   59.953    1182.17   84.414    1287.33   85.163    93.609  3.3667  97.707  3.2542  -4.098206      4.682356 
1 1 1 6   5   27 o 50.562  1.9520  345.495   26.325    332.360   36.930    359.063   37.534    49.577  2.7925  51.547  2.7283  -1.970142      3.904026 
1 1 1 6   5   28 o 85.651  2.2961  993.488   52.660    961.871   74.123    1025.71   74.827    84.264  3.2841  87.038  3.2097  -2.773506      4.592134 
1 1 1 6   5   29 o 68.559  2.0983  636.614   38.494    599.616   54.001    674.834   54.886    66.517  3.0310  70.600  2.9024  -4.083389      4.196542 
1 1 1 6   5   30 o 63.604  2.0490  548.584   34.891    525.755   49.018    572.028   49.674    62.251  2.9398  64.956  2.8551  -2.705513      4.098042 
1 1 1 6   5   31 o 29.075  2.0858  116.114   16.009    117.864   22.396    114.285   22.893    29.316  2.8898  28.835  3.0084  0.4810581      4.171510 
1 1 1 6   5   32 o 8.5906  3.5016  4.1515    12.700    4.1515    12.700    0.0000    0.0000    8.5906  3.5016  ?       ?       ?              ?        
1 1 1 6   5   33 f 27.701  5.3722  113.314   38.421    113.314   38.421    0.0000    0.0000    27.701  5.3722  ?       ?       ?              ?        
1 1 1 6   5   34 o 31.620  3.1399  139.232   26.242    0.0000    0.0000    139.232   26.242    ?       ?       31.620  3.1399  ?              ?        
1 1 1 6   5   35 o 12.209  3.0823  19.216    12.645    18.477    19.536    19.750    16.588    12.267  4.5170  12.151  4.1952  0.1159325      6.164690 
1 1 1 6   5   36 o 26.087  2.4209  97.745    16.428    104.999   22.944    90.115    23.533    27.195  3.2119  24.978  3.6231  2.216393       4.841818 
1 1 1 6   5   37 o 10.762  2.8524  13.520    11.364    18.767    15.458    7.3492    16.763    11.679  4.0488  9.8452  4.0191  1.834064       5.704891 
1 1 1 6   5   38 o 34.128  2.2359  166.625   20.196    167.473   28.200    165.732   28.937    34.254  3.1075  34.001  3.2156  0.2527695      4.471704 
1 1 1 6   5   39 o 15.846  3.1232  39.084    13.782    34.754    19.019    43.872    20.000    14.945  4.4327  16.747  4.4010  -1.802494      6.246374 
1 1 1 6   5   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   5   41 o 15.044  3.2472  37.388    14.352    32.814    20.050    42.194    20.552    14.148  4.6098  15.940  4.5745  -1.792797      6.494321 
1 1 1 6   6   0  o 84.709  3.0843  972.640   68.979    1119.80   96.411    818.301   98.733    91.420  3.9373  77.997  4.7486  13.42284       6.168582 
1 1 1 6   6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   6   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   6   3  o 102.602 2.3399  1410.41   64.295    1383.19   90.942    1437.62   90.912    101.612 3.3414  103.592 3.2765  -1.980377      4.679792 
1 1 1 6   6   4  o 241.809 4.6509  7840.30   301.225   7906.12   426.245   7774.63   425.749   242.824 6.5536  240.794 6.6011  2.029816       9.301862 
1 1 1 6   6   5  o 402.318 7.4029  21744.90  797.726   21853.89  1128.44   21636.02  1127.87   403.328 10.446  401.307 10.493  2.021149       14.80572 
1 1 1 6   6   6  o 444.780 8.2646  26602.62  984.558   26377.83  1392.38   26827.41  1392.37   442.893 11.737  446.666 11.638  -3.773773      16.52910 
1 1 1 6   6   7  o 250.012 4.7939  8385.49   320.890   8673.99   454.171   8097.92   453.445   254.313 6.6675  245.711 6.8899  8.601822       9.587774 
1 1 1 6   6   8  o 387.464 7.1642  20187.66  743.089   19390.76  1050.33   20986.25  1051.44   379.777 10.325  395.150 9.9343  -15.37201      14.32842 
1 1 1 6   6   9  o 65.240  1.9024  570.233   33.240    562.178   47.036    578.269   46.981    64.780  2.7108  65.701  2.6697  -0.9208832     3.804731 
1 1 1 6   6   10 o 192.042 3.7708  4946.98   193.958   4990.16   274.271   4903.78   274.324   192.882 5.3088  191.203 5.3565  1.679291       7.541610 
1 1 1 6   6   11 o 71.607  1.9945  687.099   38.254    691.884   54.072    682.304   54.127    71.856  2.8094  71.357  2.8320  0.4995499      3.989086 
1 1 1 6   6   12 o 213.927 4.1406  6149.14   237.211   6290.24   335.452   6008.01   335.483   216.390 5.7877  211.464 5.9230  4.925583       8.281281 
1 1 1 6   6   13 o 235.134 4.5586  7439.33   287.101   7434.77   405.879   7443.90   406.166   235.062 6.4465  235.206 6.4471  -0.1441345     9.117188 
1 1 1 6   6   14 o 132.172 2.8289  2344.62   100.145   2318.53   141.462   2370.82   141.790   131.434 4.0183  132.910 3.9829  -1.476501      5.657775 
1 1 1 6   6   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   6   16 o 50.770  1.8309  346.495   24.814    348.072   34.980    344.897   35.206    50.888  2.5747  50.652  2.6038  0.2352715      3.661828 
1 1 1 6   6   17 o 146.691 3.0975  2891.90   121.677   2818.02   171.806   2966.25   172.350   144.805 4.4296  148.576 4.3308  -3.770905      6.194967 
1 1 1 6   6   18 o 231.281 4.5003  7218.20   278.782   7179.78   394.015   7256.71   394.502   230.661 6.3775  231.901 6.3512  -1.239746      9.000568 
1 1 1 6   6   19 o 195.047 3.8651  5125.40   201.884   5239.15   285.445   5011.55   285.570   197.226 5.4034  192.869 5.5279  4.357193       7.730136 
1 1 1 6   6   20 o 186.411 3.6930  4681.19   184.350   4560.96   260.360   4802.06   261.061   183.998 5.2829  188.824 5.1618  -4.825851      7.385989 
1 1 1 6   6   21 o 76.631  2.1151  789.027   43.351    835.711   61.196    741.998   61.421    78.914  2.8952  74.348  3.0843  4.566307       4.230274 
1 1 1 6   6   22 o 118.456 2.6544  1887.16   84.197    1830.57   118.724   1944.42   119.423   116.663 3.7994  120.249 3.7078  -3.585472      5.308800 
1 1 1 6   6   23 o 122.147 2.7861  2009.82   91.151    2006.29   128.579   2013.38   129.238   122.040 3.9335  122.253 3.9468  -0.2130356     5.572189 
1 1 1 6   6   24 o 23.894  2.2462  77.982    13.982    71.056    19.314    85.608    20.268    22.748  3.2634  25.039  3.0874  -2.291134      4.492414 
1 1 1 6   6   25 o 151.362 4.0019  3131.39   151.638   3119.96   266.267   3136.88   184.476   150.632 6.5995  152.091 4.5284  -1.459030      8.003742 
1 1 1 6   6   26 o 78.314  2.1875  827.528   45.879    807.449   64.562    848.013   65.210    77.350  3.1162  79.278  3.0710  -1.927841      4.375085 
1 1 1 6   6   27 o 112.910 2.6543  1731.49   80.258    1685.12   113.050   1778.61   113.961   111.371 3.7897  114.450 3.7175  -3.078644      5.308661 
1 1 1 6   6   28 o 44.158  1.9544  265.388   22.906    290.086   32.260    240.274   32.530    46.275  2.6134  42.042  2.9066  4.233089       3.908729 
1 1 1 6   6   29 o 30.636  2.0172  128.438   16.318    137.845   23.024    118.944   23.131    31.799  2.7296  29.472  2.9707  2.327322       4.034311 
1 1 1 6   6   30 o 30.846  2.0855  130.309   17.015    126.507   23.729    134.332   24.411    30.378  2.9536  31.314  2.9451  -0.9356155     4.170979 
1 1 1 6   6   31 o 30.970  2.1148  132.951   17.136    149.634   23.862    115.184   24.625    33.080  2.7171  28.861  3.2416  4.219706       4.229695 
1 1 1 6   6   32 o 42.405  2.8913  246.670   32.644    246.670   32.644    0.0000    0.0000    42.405  2.8913  ?       ?       ?              ?        
1 1 1 6   6   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   6   34 o 33.514  3.0816  156.649   27.353    0.0000    0.0000    156.649   27.353    ?       ?       33.514  3.0816  ?              ?        
1 1 1 6   6   35 o 18.312  2.8139  49.577    13.408    51.094    18.916    48.046    19.009    18.623  3.9165  18.001  4.0414  0.6213245      5.627814 
1 1 1 6   6   36 o 30.003  2.3065  127.987   18.170    115.008   25.048    142.403   26.398    28.328  3.3671  31.677  3.1531  -3.349255      4.612929 
1 1 1 6   6   37 o 10.272  2.8215  9.4845    11.579    0.7555    16.033    19.000    16.740    8.7228  3.7641  11.821  4.2041  -3.098035      5.642917 
1 1 1 6   6   38 o 19.897  2.8556  60.141    14.909    33.418    20.305    91.396    21.960    14.713  4.6234  25.081  3.3528  -10.36752      5.711162 
1 1 1 6   6   39 o 26.566  2.7659  107.940   18.593    128.849   25.793    85.320    26.827    29.746  3.2925  23.387  4.4452  6.359352       5.531712 
1 1 1 6   6   40 o 31.228  2.5234  147.030   20.330    173.385   28.719    120.555   28.784    34.434  3.1486  28.022  3.9441  6.412443       5.046783 
1 1 1 6   7   0  o 343.535 6.4133  15842.06  590.115   15940.01  834.196   15743.95  834.901   344.601 9.0378  342.470 9.1017  2.131439       12.82665 
1 1 1 6   7   1  o 577.426 10.597  44932.41  1638.91   44720.49  2317.36   45144.48  2318.19   576.056 15.019  578.796 14.953  -2.740112      21.19357 
1 1 1 6   7   2  o 322.655 5.9888  13972.66  517.411   14371.44  732.005   13574.47  731.455   327.265 8.3507  318.044 8.5864  9.221222       11.97753 
1 1 1 6   7   3  o 381.299 7.1210  19527.46  727.232   19753.38  1028.71   19301.74  1028.22   383.510 10.014  379.088 10.126  4.421661       14.24195 
1 1 1 6   7   4  o 370.033 6.9368  18389.08  687.518   18461.10  972.546   18317.14  972.049   370.759 9.7933  369.306 9.8268  1.451935       13.87354 
1 1 1 6   7   5  o 312.729 5.8679  13125.95  491.494   13278.87  695.435   12973.34  694.720   314.552 8.2542  310.905 8.3424  3.646820       11.73574 
1 1 1 6   7   6  o 488.765 9.0273  32173.36  1181.61   32853.46  1671.77   31494.42  1670.35   493.954 12.636  483.576 12.896  10.37875       18.05453 
1 1 1 6   7   7  o 286.044 5.4054  10982.64  414.141   10986.82  585.819   10978.47  585.547   286.099 7.6447  285.990 7.6440  0.1085815      10.81074 
1 1 1 6   7   8  o 189.352 3.7712  4809.74   191.167   4629.86   270.306   4989.74   270.397   185.804 5.4314  192.900 5.2334  -7.095612      7.542439 
1 1 1 6   7   9  o 184.628 3.6443  4572.50   180.210   4526.10   254.908   4618.86   254.803   183.690 5.1809  185.566 5.1265  -1.875870      7.288531 
1 1 1 6   7   10 o 364.999 6.8313  17970.75  667.719   18398.43  944.677   17543.76  943.917   369.369 9.5485  360.629 9.7720  8.740173       13.66258 
1 1 1 6   7   11 o 219.067 4.2560  6449.51   249.729   6439.60   353.117   6459.44   353.223   218.898 6.0227  219.236 6.0152  -0.3378754     8.512030 
1 1 1 6   7   12 o 158.880 3.2534  3388.93   138.450   3385.27   195.687   3392.60   195.908   158.794 4.6009  158.966 4.6011  -0.1717072     6.506752 
1 1 1 6   7   13 o 51.953  1.8294  362.254   25.415    358.906   35.893    365.621   35.991    51.679  2.6013  52.227  2.5728  -0.5475731     3.658731 
1 1 1 6   7   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   7   15 o 89.411  2.2535  1072.51   53.955    1042.54   76.150    1102.72   76.459    88.155  3.2250  90.667  3.1484  -2.512093      4.507020 
1 1 1 6   7   16 o 67.017  1.9749  602.427   35.441    618.939   50.130    585.927   50.113    67.937  2.7549  66.098  2.8306  1.839066       3.949866 
1 1 1 6   7   17 o 62.904  1.9801  530.676   33.360    523.593   47.035    537.846   47.323    62.481  2.8105  63.327  2.7899  -0.8453674     3.960112 
1 1 1 6   7   18 o 87.259  2.2398  1021.66   52.349    1014.96   73.851    1028.44   74.215    86.971  3.1703  87.547  3.1649  -0.5759583     4.479657 
1 1 1 6   7   19 o 60.627  1.9556  493.047   31.755    494.271   44.762    491.807   45.057    60.703  2.7530  60.551  2.7782  0.1523705      3.911174 
1 1 1 6   7   20 o 40.964  1.8829  226.094   20.534    216.109   28.923    236.241   29.158    40.044  2.7126  41.885  2.6121  -1.840988      3.765811 
1 1 1 6   7   21 o 197.877 3.9581  5292.00   209.743   5403.67   296.475   5180.11   296.768   199.987 5.5348  195.767 5.6596  4.219818       7.916128 
1 1 1 6   7   22 o 49.396  1.9759  328.857   26.027    335.100   36.584    322.459   37.037    49.878  2.7490  48.915  2.8391  0.9621735      3.951879 
1 1 1 6   7   23 o 106.233 2.5400  1521.17   72.226    1582.20   101.994   1459.78   102.294   108.385 3.5133  104.081 3.6693  4.304115       5.080088 
1 1 1 6   7   24 o 32.219  3.5954  141.776   30.498    0.0000    0.0000    141.776   30.498    ?       ?       32.219  3.5954  ?              ?        
1 1 1 6   7   25 o 104.877 2.5372  1487.90   71.244    1532.46   100.584   1443.04   100.926   106.471 3.5270  103.284 3.6482  3.186752       5.074392 
1 1 1 6   7   26 o 27.639  2.0357  104.477   14.782    114.634   20.891    94.294    20.918    29.030  2.7185  26.249  3.0309  2.780117       4.071426 
1 1 1 6   7   27 o 39.563  1.9443  212.409   20.454    200.034   28.645    225.281   29.216    38.371  2.8066  40.754  2.6916  -2.383644      3.888650 
1 1 1 6   7   28 o 32.764  1.9678  146.292   17.092    145.857   23.692    146.765   24.682    32.724  2.7279  32.804  2.8370  -0.8009338E-01 3.935685 
1 1 1 6   7   29 o 57.123  2.0535  443.487   31.356    448.023   44.041    438.824   44.653    57.467  2.8612  56.779  2.9462  0.6878014      4.106915 
1 1 1 6   7   30 f 15.264  2.6547  33.100    10.985    43.308    15.800    23.550    15.282    17.491  3.4947  13.037  3.9971  4.454582       5.309426 
1 1 1 6   7   31 o 36.827  2.8984  186.129   28.359    186.129   28.359    0.0000    0.0000    36.827  2.8984  ?       ?       ?              ?        
1 1 1 6   7   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   7   33 o 14.842  4.3612  32.079    18.484    0.0000    0.0000    32.079    18.484    ?       ?       14.842  4.3612  ?              ?        
1 1 1 6   7   34 o 20.339  3.7778  60.164    19.823    0.0000    0.0000    60.164    19.823    ?       ?       20.339  3.7778  ?              ?        
1 1 1 6   7   35 o 32.687  2.1963  150.871   18.994    147.633   26.600    154.240   27.132    32.324  3.1107  33.050  3.1013  -0.7256355     4.392553 
1 1 1 6   7   36 o 7.5446  2.4107  -6.5185   10.456    -2.6415   14.827    -10.3545  14.748    7.9898  3.5293  7.0994  3.2848  0.8903928      4.821400 
1 1 1 6   7   37 o 9.7874  2.8356  7.0119    11.935    3.4220    17.120    10.406    16.646    9.3151  3.9512  10.260  4.0682  -0.9446278     5.671215 
1 1 1 6   7   38 o 25.391  2.6785  96.084    17.656    95.719    25.190    96.436    24.753    25.311  3.8357  25.470  3.7397  -0.1589203     5.357077 
1 1 1 6   7   39 o 26.449  2.6340  105.355   18.050    94.071    25.263    117.123   25.799    24.823  3.9306  28.074  3.5074  -3.251188      5.267913 
1 1 1 6   8   0  o 524.841 9.6744  37096.05  1359.19   35583.66  1920.56   38613.62  1923.83   514.066 13.948  535.615 13.410  -21.54895      19.34886 
1 1 1 6   8   1  o 761.760 14.009  78585.75  2857.85   80092.27  4042.43   77080.45  4040.79   769.138 19.622  754.381 19.998  14.75775       28.01704 
1 1 1 6   8   2  o 193.993 3.8306  5044.35   199.040   5031.53   281.340   5057.20   281.630   193.746 5.4214  194.240 5.4132  -0.4939728     7.661167 
1 1 1 6   8   3  o 281.977 5.3836  10668.41  406.548   10881.94  575.136   10455.17  574.754   284.802 7.5394  279.152 7.6869  5.650269       10.76716 
1 1 1 6   8   4  f 262.647 4.9972  9255.16   351.479   9037.86   497.011   9472.55   497.122   259.558 7.1490  265.737 6.9843  -6.178833      9.994393 
1 1 1 6   8   5  o 229.033 4.3374  7035.00   266.079   7015.84   376.529   7054.12   376.057   228.721 6.1461  229.346 6.1217  -0.6243439     8.674711 
1 1 1 6   8   6  o 266.425 5.0577  9528.90   360.832   9282.01   510.310   9775.75   510.277   262.966 7.2451  269.884 7.0589  -6.918762      10.11536 
1 1 1 6   8   7  o 229.776 4.3904  7085.42   270.202   7034.98   382.253   7135.80   381.994   228.957 6.2332  230.596 6.1847  -1.638580      8.780793 
1 1 1 6   8   8  o 233.258 4.4687  7306.65   279.154   7461.30   395.070   7152.46   394.498   235.729 6.2571  230.786 6.3818  4.942398       8.937498 
1 1 1 6   8   9  o 301.926 5.6916  12274.44  460.278   12246.85  651.031   12302.00  650.832   301.584 8.0594  302.267 8.0388  -0.6824341     11.38315 
1 1 1 6   8   10 o 217.699 4.2348  6370.53   246.925   6437.06   349.369   6304.12   349.040   218.839 5.9604  216.559 6.0174  2.279190       8.469650 
1 1 1 6   8   11 o 68.134  1.9292  622.278   35.205    632.565   49.876    612.064   49.700    68.696  2.7106  67.573  2.7460  1.123116       3.858492 
1 1 1 6   8   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   8   13 o 180.107 3.6257  4362.67   174.829   4207.42   246.992   4518.55   247.500   176.883 5.2133  183.331 5.0402  -6.448059      7.251349 
1 1 1 6   8   14 o 65.964  1.9524  583.450   34.494    574.849   48.662    592.137   48.903    65.475  2.7747  66.453  2.7475  -0.9781036     3.904866 
1 1 1 6   8   15 o 51.405  1.8411  354.780   25.298    344.394   35.632    365.336   35.923    50.611  2.6376  52.200  2.5693  -1.588318      3.682155 
1 1 1 6   8   16 o 52.529  1.9018  370.721   26.692    383.047   37.623    358.231   37.874    53.447  2.6281  51.611  2.7497  1.836399       3.803658 
1 1 1 6   8   17 o 146.767 3.1303  2895.55   123.054   2875.86   173.792   2915.33   174.258   146.266 4.4361  147.268 4.4177  -1.002625      6.260561 
1 1 1 6   8   18 o 52.625  1.8896  371.919   26.586    365.388   37.497    378.522   37.702    52.125  2.6950  53.125  2.6495  -1.000534      3.779267 
1 1 1 6   8   19 o 129.496 2.7917  2254.29   96.799    2180.95   136.522   2328.43   137.269   127.371 4.0017  131.621 3.8937  -4.249512      5.583385 
1 1 1 6   8   20 f 129.103 2.8564  2242.58   98.774    2231.70   139.396   2253.55   139.981   128.788 4.0410  129.418 4.0382  -0.6294708     5.712821 
1 1 1 6   8   21 o 78.732  2.1572  832.916   45.478    805.872   64.027    860.454   64.609    77.439  3.0868  80.025  3.0142  -2.585899      4.314410 
1 1 1 6   8   22 o 41.771  1.9577  235.482   21.771    234.953   30.348    236.043   31.249    41.727  2.7304  41.815  2.8063  -0.8811569E-01 3.915422 
1 1 1 6   8   23 o 116.282 3.3774  1842.60   97.951    1811.82   172.746   1857.19   118.916   115.284 5.5943  117.280 3.7855  -1.995682      6.754769 
1 1 1 6   8   24 o 40.110  1.9059  218.030   20.309    231.242   28.453    204.307   28.996    41.373  2.5804  38.847  2.8056  2.526146       3.811817 
1 1 1 6   8   25 o 33.663  1.9481  153.910   17.386    144.317   24.492    163.654   24.685    32.585  2.8344  34.741  2.6733  -2.156029      3.896188 
1 1 1 6   8   26 o 45.375  1.9283  278.996   23.325    274.324   32.759    283.801   33.219    44.988  2.7316  45.763  2.7224  -0.7748718     3.856532 
1 1 1 6   8   27 o 58.557  2.0025  464.190   31.402    468.240   44.080    460.016   44.746    58.824  2.7977  58.290  2.8659  0.5337563      4.005069 
1 1 1 6   8   28 o 54.544  2.0350  404.513   29.624    400.278   41.650    408.849   42.145    54.255  2.8763  54.833  2.8796  -0.5783920     4.070080 
1 1 1 6   8   29 o 20.677  2.5691  62.761    13.271    90.056    18.756    35.398    18.779    25.611  2.7787  15.743  4.3219  9.867857       5.138113 
1 1 1 6   8   30 o 47.338  2.0315  306.466   25.630    297.521   36.108    315.550   36.388    46.629  2.9055  48.048  2.8401  -1.419193      4.062995 
1 1 1 6   8   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   8   32 o 29.462  3.1703  121.174   24.625    121.174   24.625    0.0000    0.0000    29.462  3.1703  ?       ?       ?              ?        
1 1 1 6   8   33 o 28.212  3.2828  112.285   24.343    0.0000    0.0000    112.285   24.343    ?       ?       28.212  3.2828  ?              ?        
1 1 1 6   8   34 o 27.035  3.3754  104.328   23.910    0.0000    0.0000    104.328   23.910    ?       ?       27.035  3.3754  ?              ?        
1 1 1 6   8   35 o 12.152  2.9692  20.354    11.868    24.316    16.539    16.147    17.041    12.928  4.1849  11.375  4.2131  1.553394       5.938360 
1 1 1 6   8   36 o 13.550  3.0258  27.161    12.578    34.513    17.670    19.610    17.909    15.047  4.2156  12.054  4.3418  2.993615       6.051668 
1 1 1 6   8   37 o 28.537  2.4797  118.668   18.502    108.296   25.633    129.949   26.733    27.152  3.6144  29.921  3.3957  -2.769478      4.959331 
1 1 1 6   8   38 o 22.438  4.2907  78.322    24.848    0.0000    0.0000    78.322    24.848    ?       ?       22.438  4.2907  ?              ?        
1 1 1 6   8   39 o 22.388  3.0184  81.604    17.308    49.681    24.183    115.125   24.781    17.048  4.9826  27.728  3.4084  -10.68017      6.036819 
1 1 1 6   9   0  o 299.443 5.6053  12031.27  449.572   12016.83  635.319   12045.76  636.262   299.263 7.9259  299.623 7.9282  -0.3598633     11.21052 
1 1 1 6   9   1  o 324.097 6.0918  14106.22  528.489   14689.68  747.508   13523.10  747.283   330.816 8.4361  317.378 8.7906  13.43817       12.18368 
1 1 1 6   9   2  o 312.022 5.7940  13071.01  484.078   13459.12  684.774   12683.31  684.406   316.664 8.0735  307.381 8.3128  9.282379       11.58808 
1 1 1 6   9   3  o 358.890 6.6440  17320.00  637.854   18356.06  902.938   16287.95  901.188   369.646 9.1197  348.134 9.6645  21.51187       13.28806 
1 1 1 6   9   4  o 207.821 4.0719  5792.48   226.652   5731.69   320.611   5853.22   320.457   206.729 5.7901  208.912 5.7269  -2.183426      8.143863 
1 1 1 6   9   5  o 200.141 3.9317  5373.06   210.758   5445.14   298.380   5301.29   297.734   201.482 5.5290  198.799 5.5914  2.682709       7.863452 
1 1 1 6   9   6  o 377.954 7.0163  19249.11  710.234   18978.80  1004.49   19519.35  1004.36   375.284 9.9930  380.624 9.8515  -5.339874      14.03253 
1 1 1 6   9   7  o 95.328  2.3074  1218.16   58.889    1264.94   83.551    1171.97   83.014    97.148  3.2109  93.507  3.3145  3.640854       4.614719 
1 1 1 6   9   8  o 306.553 5.7522  12664.40  472.237   12925.67  668.227   12403.74  667.463   309.731 8.0547  303.376 8.2140  6.354279       11.50430 
1 1 1 6   9   9  o 59.720  1.8521  477.991   29.624    478.627   42.076    477.365   41.717    59.759  2.6287  59.681  2.6097  0.7853317E-01  3.704134 
1 1 1 6   9   10 o 67.685  1.9450  614.557   35.230    585.614   49.897    643.330   49.750    66.093  2.8186  69.277  2.6811  -3.183762      3.890061 
1 1 1 6   9   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   9   12 o 250.530 4.8340  8466.70   324.356   8596.78   458.847   8336.77   458.570   252.467 6.7854  248.594 6.8869  3.873520       9.668055 
1 1 1 6   9   13 o 114.894 2.5580  1771.72   78.721    1760.49   111.296   1782.97   111.361   114.529 3.6281  115.259 3.6072  -0.7302933     5.116096 
1 1 1 6   9   14 o 54.868  1.8754  403.684   27.560    398.503   38.984    408.861   38.967    54.515  2.6698  55.220  2.6346  -0.7048187     3.750851 
1 1 1 6   9   15 o 161.387 3.2949  3501.89   142.424   3460.34   201.223   3543.61   201.613   160.424 4.6830  162.349 4.6364  -1.925064      6.589841 
1 1 1 6   9   16 o 143.627 3.0745  2772.56   118.277   2751.99   167.105   2793.22   167.432   143.092 4.3600  144.162 4.3361  -1.070618      6.149100 
1 1 1 6   9   17 o 32.381  1.8869  141.655   16.210    146.022   22.828    137.214   23.022    32.894  2.6126  31.868  2.7232  1.025322       3.773770 
1 1 1 6   9   18 o 208.025 4.1001  5841.91   228.449   5878.78   322.850   5804.94   323.300   208.689 5.7758  207.361 5.8209  1.327530       8.200169 
1 1 1 6   9   19 o 14.736  2.5662  30.264    10.054    32.244    14.650    28.500    13.823    15.185  3.6476  14.286  3.6107  0.8992538      5.132414 
1 1 1 6   9   20 o 128.319 2.7948  2217.87   96.041    2258.24   135.579   2177.21   136.069   129.499 3.9087  127.139 3.9957  2.360168       5.589604 
1 1 1 6   9   21 o 70.143  2.6917  658.932   46.336    650.451   55.383    678.717   84.591    69.553  2.9728  70.732  4.4882  -1.178436      5.383481 
1 1 1 6   9   22 o 82.641  2.2164  919.964   49.048    940.203   69.186    899.515   69.543    83.562  3.0912  81.721  3.1771  1.840515       4.432739 
1 1 1 6   9   23 o 93.931  2.3805  1191.53   59.881    1210.02   84.328    1172.71   85.044    94.676  3.3254  93.186  3.4073  1.489380       4.761074 
1 1 1 6   9   24 o 117.120 2.6709  1860.78   83.775    1818.69   118.003   1903.55   118.954   115.773 3.8054  118.466 3.7488  -2.692841      5.341765 
1 1 1 6   9   25 o 39.969  1.9419  217.093   20.574    193.729   28.929    241.006   29.266    37.753  2.8826  42.185  2.6029  -4.431530      3.883839 
1 1 1 6   9   26 o 38.101  1.9483  197.898   19.671    215.331   27.678    180.104   27.963    39.840  2.6081  36.363  2.8950  3.476433       3.896586 
1 1 1 6   9   27 o 34.423  1.9895  161.553   18.174    160.519   25.274    162.660   26.151    34.317  2.7734  34.529  2.8532  -0.2119865     3.978971 
1 1 1 6   9   28 o 18.540  2.5618  49.039    12.231    38.266    17.294    59.821    17.301    16.363  3.9833  20.718  3.2226  -4.354847      5.123647 
1 1 1 6   9   29 o 105.766 2.6135  1540.33   74.035    1534.84   104.212   1545.92   105.198   105.584 3.6849  105.947 3.7070  -0.3631058     5.226924 
1 1 1 6   9   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   9   31 o 11.466  4.0776  16.437    15.747    16.437    15.747    0.0000    0.0000    11.466  4.0776  ?       ?       ?              ?        
1 1 1 6   9   32 o 14.030  4.2013  28.576    17.025    28.576    17.025    0.0000    0.0000    14.030  4.2013  ?       ?       ?              ?        
1 1 1 6   9   33 o 13.283  4.2830  25.370    17.335    0.0000    0.0000    25.370    17.335    ?       ?       13.283  4.2830  ?              ?        
1 1 1 6   9   34 o 30.101  2.6377  132.928   20.182    123.093   31.638    139.675   26.207    28.825  4.2232  31.377  3.1614  -2.552416      5.275365 
1 1 1 6   9   35 o 10.431  2.8822  11.157    11.711    8.2418    16.361    14.221    16.770    9.8958  3.9958  10.965  4.1547  -1.069679      5.764414 
1 1 1 6   9   36 o 24.150  2.6518  86.217    16.596    85.460    23.362    86.988    23.581    24.042  3.7504  24.259  3.7500  -0.2176189     5.303582 
1 1 1 6   9   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   9   38 f 19.610  3.0864  61.723    15.920    76.376    22.901    48.023    22.145    22.175  4.0030  17.046  4.6990  5.129631       6.172845 
1 1 1 6   10  0  o 151.320 3.0948  3068.96   125.424   3103.93   176.996   3033.70   177.760   152.187 4.3421  150.454 4.4110  1.733109       6.189593 
1 1 1 6   10  1  o 293.654 5.5518  11579.52  436.541   11910.05  617.284   11248.82  617.441   297.858 7.7373  289.451 7.9640  8.406952       11.10363 
1 1 1 6   10  2  o 169.133 3.4201  3835.36   154.913   3748.46   218.832   3922.67   219.328   167.211 4.8860  171.056 4.7871  -3.845078      6.840271 
1 1 1 6   10  3  o 624.717 11.573  53007.38  1936.14   54130.31  2738.92   51885.79  2737.30   631.421 16.195  618.013 16.536  13.40863       23.14544 
1 1 1 6   10  4  o 339.231 6.3811  15492.62  579.622   15951.22  820.196   15035.10  819.222   344.271 8.8946  334.191 9.1520  10.08044       12.76223 
1 1 1 6   10  5  o 247.029 4.6936  8200.45   310.498   8012.21   439.181   8388.58   439.040   244.185 6.7148  249.874 6.5599  -5.688583      9.387279 
1 1 1 6   10  6  o 112.015 2.5674  1682.32   77.026    1707.54   109.245   1657.39   108.618   112.850 3.6142  111.180 3.6474  1.670685       5.134812 
1 1 1 6   10  7  o 91.126  2.2581  1113.88   55.034    1190.21   78.190    1038.93   77.475    94.224  3.0981  88.027  3.2859  6.196999       4.516136 
1 1 1 6   10  8  o 159.856 3.2329  3430.85   138.423   3452.99   195.982   3408.80   195.538   160.371 4.5625  159.340 4.5816  1.031204       6.465846 
1 1 1 6   10  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   10  10 o 228.497 4.4860  7033.52   274.541   7110.96   388.483   6956.27   388.038   229.760 6.3126  227.234 6.3755  2.525970       8.971913 
1 1 1 6   10  11 o 188.290 3.7953  4769.71   191.391   4846.80   270.879   4692.87   270.456   189.816 5.3279  186.765 5.4065  3.050735       7.590518 
1 1 1 6   10  12 o 181.693 3.5639  4440.56   173.396   4562.57   245.375   4318.87   245.064   184.197 4.9735  179.190 5.1059  5.006577       7.127835 
1 1 1 6   10  13 o 82.360  2.1737  909.919   47.953    910.917   67.892    908.925   67.738    82.405  3.0760  82.315  3.0723  0.8998871E-01  4.347492 
1 1 1 6   10  14 o 140.518 3.0068  2653.02   113.165   2674.57   160.097   2631.50   159.982   141.090 4.2364  139.946 4.2680  1.143875       6.013545 
1 1 1 6   10  15 o 134.161 2.9031  2418.23   104.323   2411.16   147.506   2425.31   147.564   133.964 4.1109  134.357 4.1004  -0.3935242     5.806264 
1 1 1 6   10  16 o 128.848 2.8114  2230.84   97.020    2256.79   137.163   2204.84   137.251   129.600 3.9513  128.095 4.0003  1.505569       5.622748 
1 1 1 6   10  17 o 45.975  1.9158  284.587   23.481    277.272   33.173    291.931   33.240    45.378  2.7422  46.572  2.6759  -1.194134      3.831512 
1 1 1 6   10  18 o 108.663 2.5537  1587.64   74.310    1625.32   105.075   1549.93   105.105   109.959 3.5677  107.368 3.6548  2.590355       5.107394 
1 1 1 6   10  19 o 69.814  2.0848  654.825   38.984    655.138   54.943    654.507   55.323    69.832  2.9375  69.797  2.9592  0.3524780E-01  4.169628 
1 1 1 6   10  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   10  21 o 80.985  2.1942  883.117   47.583    856.476   66.962    910.292   67.629    79.747  3.1349  82.223  3.0708  -2.476532      4.388325 
1 1 1 6   10  22 o 59.623  1.9792  478.658   31.564    445.032   44.166    513.758   45.125    57.474  2.8690  61.771  2.7273  -4.296272      3.958463 
1 1 1 6   10  23 o 28.532  2.0022  110.903   15.082    116.930   21.416    104.972   21.244    29.321  2.7594  27.744  2.9017  1.577044       4.004315 
1 1 1 6   10  24 o 127.022 2.8747  2200.49   97.773    2255.36   137.940   2145.07   138.605   128.648 4.0031  125.396 4.1268  3.252701       5.749341 
1 1 1 6   10  25 o 57.424  2.0256  446.847   31.099    452.197   43.808    441.412   44.154    57.814  2.8290  57.034  2.8998  0.7792511      4.051231 
1 1 1 6   10  26 o 23.258  2.2438  74.766    13.609    72.457    19.038    77.179    19.462    22.880  3.1936  23.636  3.1526  -0.7562389     4.487578 
1 1 1 6   10  27 o 37.937  2.0275  196.623   20.435    202.671   28.711    190.414   29.090    38.549  2.7998  37.326  2.9334  1.223167       4.055040 
1 1 1 6   10  28 o 60.986  2.0969  506.885   34.250    505.711   48.066    508.097   48.815    60.921  2.9457  61.050  2.9852  -0.1294022     4.193859 
1 1 1 6   10  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   10  30 o 28.317  2.3068  112.022   17.173    109.370   24.135    114.743   24.442    27.966  3.2846  28.668  3.2400  -0.7022839     4.613636 
1 1 1 6   10  31 o 56.365  3.0039  440.179   45.188    440.179   45.188    0.0000    0.0000    56.365  3.0039  ?       ?       ?              ?        
1 1 1 6   10  32 o 36.656  3.3309  196.297   31.086    211.623   50.643    187.031   39.378    37.434  5.1905  35.877  4.1758  1.556847       6.661748 
1 1 1 6   10  33 o 7.4793  3.3267  -3.6705   13.396    0.0000    0.0000    -3.6705   13.396    ?       ?       7.4793  3.3267  ?              ?        
1 1 1 6   10  34 f 23.367  2.6294  80.140    15.851    72.485    22.361    87.871    22.473    22.116  3.9184  24.618  3.5073  -2.502159      5.258817 
1 1 1 6   10  35 o 42.759  2.2331  260.489   25.367    269.606   35.576    251.061   36.179    43.596  3.0662  41.922  3.2473  1.674084       4.466146 
1 1 1 6   10  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   10  37 o 21.909  3.0062  76.917    16.899    100.124   23.783    53.251    24.017    25.895  3.5202  17.924  4.8740  7.971174       6.012319 
1 1 1 6   11  0  o 348.511 6.4992  16338.18  606.598   15988.96  857.081   16688.67  858.639   344.765 9.2813  352.258 9.1004  -7.492920      12.99848 
1 1 1 6   11  1  o 384.533 7.1479  19924.29  735.987   20494.00  1040.95   19354.80  1040.74   390.063 9.9633  379.003 10.252  11.06015       14.29589 
1 1 1 6   11  2  o 414.805 7.6629  23223.94  851.381   23151.92  1203.78   23296.03  1204.29   414.157 10.852  415.453 10.822  -1.295685      15.32578 
1 1 1 6   11  3  o 147.217 3.0619  2907.08   120.716   2969.68   170.706   2844.46   170.730   148.805 4.2830  145.629 4.3770  3.175858       6.123865 
1 1 1 6   11  4  o 134.745 2.8680  2435.41   103.498   2390.46   146.385   2480.34   146.351   133.500 4.0938  135.991 4.0179  -2.490601      5.736073 
1 1 1 6   11  5  o 88.825  2.2577  1057.73   53.710    1073.43   76.172    1042.21   75.746    89.481  3.1782  88.169  3.2074  1.311829       4.515329 
1 1 1 6   11  6  o 135.651 2.9167  2469.48   105.966   2438.49   150.092   2500.27   149.627   134.801 4.1570  136.502 4.0924  -1.701141      5.833397 
1 1 1 6   11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   11  8  o 16.872  2.6110  39.854    10.501    38.245    19.993    40.467    12.341    16.589  4.4199  17.155  2.7809  -0.5661583     5.221980 
1 1 1 6   11  9  o 125.621 2.7690  2118.28   93.167    2137.46   131.993   2099.24   131.525   126.188 3.9052  125.053 3.9267  1.134850       5.537982 
1 1 1 6   11  10 o 223.575 4.3661  6735.51   261.445   6659.70   369.858   6811.22   369.621   222.309 6.2114  224.840 6.1375  -2.530960      8.732154 
1 1 1 6   11  11 o 81.597  2.1415  893.182   46.782    928.739   66.373    858.080   65.947    83.213  2.9779  79.981  3.0784  3.232193       4.283018 
1 1 1 6   11  12 o 138.001 2.9079  2558.02   107.483   2581.66   152.203   2534.50   151.806   138.639 4.0987  137.364 4.1260  1.274963       5.815777 
1 1 1 6   11  13 o 77.690  2.1306  809.684   44.326    831.662   62.862    787.948   62.514    78.740  2.9806  76.640  3.0453  2.100006       4.261190 
1 1 1 6   11  14 o 204.058 4.0681  5612.49   222.329   5530.34   314.376   5694.69   314.467   202.555 5.7945  205.561 5.7114  -3.006653      8.136141 
1 1 1 6   11  15 o 85.608  2.2067  983.568   50.600    976.928   71.555    990.209   71.563    85.319  3.1312  85.898  3.1104  -0.5791473     4.413495 
1 1 1 6   11  16 o 51.295  1.9290  353.775   26.403    378.375   37.510    329.619   37.170    53.107  2.6370  49.482  2.8162  3.625294       3.858050 
1 1 1 6   11  17 o 116.913 2.6513  1839.80   82.919    1949.27   117.401   1730.84   117.131   120.400 3.6405  113.426 3.8554  6.974083       5.302550 
1 1 1 6   11  18 o 50.813  1.9452  347.776   26.376    349.280   37.361    346.280   37.241    50.923  2.7493  50.703  2.7525  0.2202034      3.890401 
1 1 1 6   11  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   11  20 o 81.024  2.1868  884.277   47.445    906.121   67.050    862.370   67.146    82.032  3.0516  80.016  3.1330  2.016647       4.373513 
1 1 1 6   11  21 o 7.9894  2.3028  2.8043    7.8424    5.9471    11.258    -0.1586   10.931    8.6043  3.3660  7.3746  3.1436  1.229632       4.605672 
1 1 1 6   11  22 o 15.537  2.4816  34.041    10.111    29.227    14.299    38.856    14.300    14.411  3.6888  16.663  3.3206  -2.251162      4.963230 
1 1 1 6   11  23 o 42.506  1.9346  244.978   21.904    249.232   30.870    240.665   31.084    42.886  2.7012  42.126  2.7703  0.7593803      3.869258 
1 1 1 6   11  24 o 64.218  2.0623  558.221   35.472    555.933   50.079    560.524   50.253    64.086  2.9175  64.350  2.9155  -0.2645035     4.124564 
1 1 1 6   11  25 o 92.572  2.4106  1166.79   59.758    1132.97   84.110    1201.26   84.916    91.203  3.4431  93.942  3.3747  -2.739403      4.821210 
1 1 1 6   11  26 o 21.065  2.4864  63.554    13.165    43.077    18.547    84.349    18.690    17.362  4.0606  24.768  2.8706  -7.405556      4.972823 
1 1 1 6   11  27 o 23.462  2.3509  77.495    14.096    61.904    19.938    93.074    19.931    20.934  3.6907  25.991  2.9131  -5.057062      4.701891 
1 1 1 6   11  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   11  29 o 27.511  2.4599  108.978   16.920    140.625   23.794    76.605    24.065    31.930  2.8108  23.091  4.0379  8.838402       4.919856 
1 1 1 6   11  30 o 47.037  2.9519  306.291   37.002    306.291   37.002    0.0000    0.0000    47.037  2.9519  ?       ?       ?              ?        
1 1 1 6   11  31 o 10.052  3.9143  9.9168    15.170    9.9168    15.170    0.0000    0.0000    10.052  3.9143  ?       ?       ?              ?        
1 1 1 6   11  32 o 18.591  4.1283  51.675    20.022    0.0000    0.0000    51.675    20.022    ?       ?       18.591  4.1283  ?              ?        
1 1 1 6   11  33 o 33.129  3.1985  156.009   28.029    0.0000    0.0000    156.009   28.029    ?       ?       33.129  3.1985  ?              ?        
1 1 1 6   11  34 o 30.941  2.4137  138.482   19.457    158.561   27.566    118.548   27.466    33.382  3.1192  28.499  3.6844  4.883057       4.827433 
1 1 1 6   11  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   11  36 o 13.219  2.8857  22.755    13.388    -0.3891   18.585    47.717    19.302    9.0229  3.9701  17.415  4.1890  -8.392356      5.771402 
1 1 1 6   12  0  o 88.199  2.1900  1042.86   51.722    1064.03   72.835    1021.33   73.461    89.103  3.0518  87.295  3.1418  1.808029       4.380043 
1 1 1 6   12  1  o 234.841 4.4726  7411.24   281.336   7385.90   397.450   7436.69   398.290   234.438 6.3294  235.244 6.3211  -0.8058472     8.945288 
1 1 1 6   12  2  o 205.423 4.0259  5669.17   221.514   5691.25   313.014   5647.00   313.523   205.826 5.6777  205.021 5.7093  0.8053284      8.051856 
1 1 1 6   12  3  o 166.870 3.3876  3738.80   151.390   3814.46   214.053   3663.08   214.142   168.564 4.7410  165.177 4.8402  3.387024       6.775274 
1 1 1 6   12  4  o 117.708 2.6268  1858.59   82.817    1867.17   117.130   1850.01   117.113   117.980 3.7065  117.436 3.7232  0.5441437      5.253628 
1 1 1 6   12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   12  6  o 130.115 3.5826  2298.68   116.238   2210.81   204.139   2340.84   141.400   128.168 5.9464  132.061 3.9975  -3.892563      7.165168 
1 1 1 6   12  7  f 131.675 2.8053  2327.59   98.912    2399.78   140.288   2256.23   139.480   133.710 3.9172  129.641 4.0168  4.068405       5.610599 
1 1 1 6   12  8  f 184.644 3.7333  4585.86   184.634   4590.83   261.413   4580.90   260.814   184.743 5.2829  184.544 5.2764  0.1990356      7.466549 
1 1 1 6   12  9  o 258.357 5.0085  9014.11   346.517   8805.83   490.125   9222.27   489.973   255.348 7.1662  261.366 6.9990  -6.018494      10.01696 
1 1 1 6   12  10 o 135.847 2.9028  2479.24   105.587   2406.56   149.441   2551.68   149.206   133.853 4.1682  137.842 4.0413  -3.988846      5.805687 
1 1 1 6   12  11 o 99.260  2.4139  1322.19   64.166    1357.62   91.046    1287.22   90.446    100.584 3.3794  97.937  3.4479  2.646690       4.827901 
1 1 1 6   12  12 o 79.023  2.1673  837.727   45.869    853.494   65.078    822.161   64.661    79.763  3.0461  78.284  3.0838  1.479431       4.334564 
1 1 1 6   12  13 o 213.917 4.1990  6171.69   240.582   6110.13   340.311   6233.19   340.158   212.843 5.9694  214.992 5.9071  -2.148514      8.398005 
1 1 1 6   12  14 o 82.792  2.2099  920.004   49.006    921.101   69.488    918.919   69.124    82.841  3.1317  82.744  3.1189  0.9741974E-01  4.419865 
1 1 1 6   12  15 o 147.359 3.0819  2922.87   121.637   2885.42   171.962   2960.37   172.079   146.410 4.3850  148.308 4.3319  -1.898392      6.163893 
1 1 1 6   12  16 o 125.284 2.7901  2112.68   93.627    2110.50   132.426   2114.85   132.392   125.219 3.9483  125.349 3.9432  -0.1298218     5.580179 
1 1 1 6   12  17 o 90.016  2.2888  1089.71   55.179    1073.25   78.025    1106.19   78.045    89.333  3.2609  90.699  3.2126  -1.365829      4.577554 
1 1 1 6   12  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   12  19 o 54.795  1.9526  405.274   28.513    370.060   40.304    440.555   40.343    52.355  2.8852  57.234  2.6316  -4.879105      3.905147 
1 1 1 6   12  20 o 32.927  1.9558  147.058   17.078    153.997   24.279    140.263   24.025    33.709  2.7120  32.145  2.8189  1.564236       3.911688 
1 1 1 6   12  21 o 11.813  2.6088  18.724    9.1681    20.442    13.178    17.112    12.763    12.236  3.7036  11.391  3.6753  0.8449612      5.217644 
1 1 1 6   12  22 o 58.506  2.0252  463.191   31.674    475.781   44.818    450.627   44.771    59.345  2.8195  57.668  2.9079  1.677006       4.050379 
1 1 1 6   12  23 o 22.423  2.2201  69.444    12.967    69.560    18.475    69.331    18.204    22.437  3.1619  22.409  3.1174  0.2822685E-01  4.440191 
1 1 1 6   12  24 o 29.289  2.0774  117.741   15.988    130.840   22.654    104.742   22.568    30.969  2.7600  27.609  3.1057  3.360123       4.154817 
1 1 1 6   12  25 o 21.376  2.4347  63.954    13.348    76.117    19.235    52.657    18.537    23.451  3.1412  19.300  3.7207  4.150301       4.869361 
1 1 1 6   12  26 o 34.436  2.0635  162.575   18.851    165.258   26.649    159.889   26.669    34.729  2.8911  34.142  2.9450  0.5870743      4.126961 
1 1 1 6   12  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   12  28 o 29.931  2.2515  124.906   17.722    133.455   24.937    116.184   25.190    31.028  3.0397  28.835  3.3222  2.192623       4.502986 
1 1 1 6   12  29 o 39.686  2.1237  218.566   22.398    223.023   31.509    214.015   31.843    40.119  2.9530  39.252  3.0528  0.8674889      4.247329 
1 1 1 6   12  30 o 25.453  3.3373  91.983    22.204    91.983    22.204    0.0000    0.0000    25.453  3.3373  ?       ?       ?              ?        
1 1 1 6   12  31 o 19.301  4.0195  55.262    20.105    55.262    20.105    0.0000    0.0000    19.301  4.0195  ?       ?       ?              ?        
1 1 1 6   12  32 o 29.375  3.3673  123.506   26.016    0.0000    0.0000    123.506   26.016    ?       ?       29.375  3.3673  ?              ?        
1 1 1 6   12  33 o 35.414  2.5943  180.895   23.705    186.317   37.771    177.372   30.449    35.575  4.0353  35.253  3.2617  0.3226814      5.188655 
1 1 1 6   12  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   12  35 o 11.866  3.0446  19.108    12.665    25.912    18.418    13.004    17.444    13.062  4.4227  10.669  4.1855  2.392791       6.089182 
1 1 1 6   13  0  o 397.888 7.3922  21448.88  787.809   21460.90  1113.56   21436.82  1114.70   398.003 10.446  397.772 10.462  0.2306824      14.78433 
1 1 1 6   13  1  o 246.868 4.7250  8204.60   312.394   8349.16   441.481   8059.63   442.103   249.058 6.6179  244.678 6.7459  4.380432       9.450093 
1 1 1 6   13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   13  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   13  4  o 143.908 3.0389  2780.92   117.119   2833.90   165.659   2727.98   165.604   145.282 4.2571  142.534 4.3377  2.747833       6.077739 
1 1 1 6   13  5  o 95.983  2.3339  1235.92   59.982    1275.81   85.042    1196.43   84.615    97.527  3.2555  94.440  3.3451  3.086823       4.667764 
1 1 1 6   13  6  o 67.777  2.0006  616.102   36.290    647.978   51.554    584.793   51.093    69.517  2.7688  66.037  2.8886  3.479713       4.001218 
1 1 1 6   13  7  o 204.245 3.9658  5615.52   216.943   5553.56   307.059   5677.27   306.548   203.113 5.6441  205.376 5.5726  -2.263123      7.931580 
1 1 1 6   13  8  o 250.545 4.8261  8474.36   323.716   8786.96   458.462   8163.55   457.149   255.187 6.7074  245.903 6.9407  9.284012       9.652128 
1 1 1 6   13  9  o 167.573 3.4607  3776.68   155.305   3705.23   219.881   3847.81   219.388   165.984 4.9458  169.162 4.8420  -3.178055      6.921341 
1 1 1 6   13  10 o 167.096 3.4294  3755.20   153.454   3851.35   217.413   3659.74   216.624   169.235 4.7963  164.956 4.9028  4.278610       6.858737 
1 1 1 6   13  11 f 97.742  2.3784  1282.22   62.265    1277.03   88.309    1287.36   87.806    97.544  3.3800  97.940  3.3472  -0.3957367     4.756857 
1 1 1 6   13  12 o 70.203  2.0463  661.409   38.465    642.907   54.508    679.763   54.289    69.223  2.9398  71.184  2.8474  -1.960526      4.092668 
1 1 1 6   13  13 o 87.192  2.2658  1020.63   52.907    1045.62   75.084    995.979   74.563    88.254  3.1763  86.130  3.2321  2.124298       4.531609 
1 1 1 6   13  14 o 95.087  2.4126  1215.12   61.432    1186.88   86.950    1243.26   86.805    93.979  3.4542  96.194  3.3691  -2.214043      4.825150 
1 1 1 6   13  15 o 133.092 2.8982  2386.17   103.314   2364.15   146.168   2408.16   146.047   132.474 4.1194  133.710 4.0779  -1.235245      5.796453 
1 1 1 6   13  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   13  17 o 19.023  2.3497  50.810    11.385    38.316    16.091    63.334    16.110    16.532  3.7234  21.513  2.8671  -4.981577      4.699317 
1 1 1 6   13  18 o 66.014  2.0441  586.818   36.136    573.198   51.086    600.458   51.121    65.243  2.9233  66.784  2.8578  -1.541428      4.088161 
1 1 1 6   13  19 o 82.157  2.2353  911.112   49.188    913.179   69.607    909.051   69.519    82.250  3.1596  82.063  3.1628  0.1867447      4.470554 
1 1 1 6   13  20 o 68.578  2.0790  635.091   38.165    663.698   54.236    607.031   53.715    70.118  2.8878  67.039  2.9914  3.079552       4.157909 
1 1 1 6   13  21 o 46.060  1.9715  287.676   24.198    277.621   34.168    297.795   34.276    45.241  2.8340  46.880  2.7416  -1.639519      3.943076 
1 1 1 6   13  22 o 33.952  1.9999  157.005   18.020    154.686   25.506    159.315   25.461    33.695  2.8529  34.209  2.8033  -0.5139236     3.999734 
1 1 1 6   13  23 o 38.656  2.0192  203.757   20.713    219.388   29.369    188.287   29.216    40.165  2.7464  37.148  2.9609  3.017380       4.038494 
1 1 1 6   13  24 o 78.456  2.2537  838.352   47.354    820.002   66.753    856.942   67.187    77.582  3.2124  79.331  3.1619  -1.749229      4.507448 
1 1 1 6   13  25 o 46.932  2.0565  301.069   25.706    315.258   36.480    287.075   36.228    48.054  2.8469  45.810  2.9685  2.244045       4.112992 
1 1 1 6   13  26 o 48.833  2.6716  306.554   31.741    396.974   61.039    273.042   37.160    53.129  4.3269  44.536  3.1351  8.593079       5.343286 
1 1 1 6   13  27 o 36.835  2.1196  187.501   20.715    179.169   29.239    195.898   29.352    35.983  3.0629  37.686  2.9309  -1.702946      4.239246 
1 1 1 6   13  28 o 11.630  2.8774  16.961    11.270    22.944    16.042    11.129    15.836    12.807  4.1191  10.453  4.0188  2.353422       5.754831 
1 1 1 6   13  29 o 26.175  2.4379  97.707    16.622    104.064   23.312    91.133    23.708    27.129  3.2744  25.221  3.6126  1.907591       4.875719 
1 1 1 6   13  30 o 28.054  3.2605  111.742   24.043    111.742   24.043    0.0000    0.0000    28.054  3.2605  ?       ?       ?              ?        
1 1 1 6   13  31 o 19.529  4.9457  59.292    25.898    0.0000    0.0000    59.292    25.898    ?       ?       19.529  4.9457  ?              ?        
1 1 1 6   13  32 f 7.1240  3.2786  -9.1799   14.410    0.0000    0.0000    -9.1799   14.410    ?       ?       7.1240  3.2786  ?              ?        
1 1 1 6   13  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   13  34 o 19.730  2.9840  60.789    15.316    52.669    21.654    68.917    21.666    18.211  4.4720  21.250  3.9521  -3.038866      5.968020 
1 1 1 6   14  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   14  1  o 55.950  1.8681  419.926   27.975    435.085   39.375    404.474   39.753    56.972  2.5803  54.928  2.7020  2.043144       3.736156 
1 1 1 6   14  2  o 212.536 4.1743  6080.05   237.629   6105.87   335.757   6054.13   336.361   212.991 5.8854  212.081 5.9213  0.9106750      8.348611 
1 1 1 6   14  3  o 78.833  2.1061  833.373   44.462    810.868   62.629    856.241   63.132    77.759  3.0070  79.907  2.9497  -2.147980      4.212234 
1 1 1 6   14  4  o 92.352  2.2882  1144.10   56.600    1151.18   80.010    1137.02   80.079    92.638  3.2245  92.065  3.2474  0.5724487      4.576349 
1 1 1 6   14  5  o 168.588 3.4586  3821.25   156.164   3880.10   221.024   3762.58   220.674   169.889 4.8572  167.287 4.9249  2.601395       6.917171 
1 1 1 6   14  6  o 312.796 5.9331  13256.99  497.085   13239.66  703.268   13274.30  702.701   312.588 8.3996  313.005 8.3817  -0.4164734     11.86617 
1 1 1 6   14  7  o 100.900 2.4060  1366.45   65.008    1337.72   92.175    1394.89   91.698    99.842  3.4468  101.959 3.3577  -2.116280      4.811919 
1 1 1 6   14  8  o 104.407 2.5115  1463.02   70.230    1483.97   99.693    1442.38   98.953    105.149 3.5397  103.664 3.5638  1.485413       5.022958 
1 1 1 6   14  9  o 224.024 4.3386  6767.98   260.336   6770.31   368.558   6765.66   367.786   224.061 6.1412  223.987 6.1303  0.7431030E-01  8.677258 
1 1 1 6   14  10 o 75.980  2.0798  774.460   42.310    804.511   60.147    745.025   59.528    77.441  2.8997  74.519  2.9824  2.921623       4.159670 
1 1 1 6   14  11 o 39.452  1.9236  209.714   20.158    228.323   28.878    192.031   28.151    41.174  2.6323  37.729  2.8057  3.444813       3.847176 
1 1 1 6   14  12 o 168.201 3.4524  3812.64   155.535   3845.79   220.294   3779.69   219.626   168.932 4.8686  167.469 4.8962  1.463974       6.904774 
1 1 1 6   14  13 o 122.578 2.7337  2021.88   89.749    2002.46   127.161   2041.15   126.688   121.988 3.8918  123.169 3.8401  -1.180611      5.467413 
1 1 1 6   14  14 o 103.725 2.5045  1447.72   69.577    1472.26   98.576    1423.36   98.219    104.604 3.5183  102.846 3.5655  1.758507       5.009090 
1 1 1 6   14  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   14  16 f 32.315  1.9301  141.447   16.547    138.870   23.432    144.010   23.370    32.016  2.7595  32.615  2.6994  -0.5989494     3.860262 
1 1 1 6   14  17 o 39.175  1.9155  207.878   19.925    191.814   28.198    223.896   28.158    37.638  2.8175  40.712  2.5957  -3.073303      3.830935 
1 1 1 6   14  18 o 48.262  1.9621  314.949   25.240    330.095   35.932    300.196   35.463    49.419  2.7251  47.105  2.8237  2.314407       3.924201 
1 1 1 6   14  19 o 51.360  1.9825  357.050   27.167    363.556   38.572    350.645   38.270    51.829  2.7887  50.892  2.8185  0.9369583      3.964990 
1 1 1 6   14  20 o 79.336  2.2071  852.498   46.886    826.893   66.259    878.178   66.355    78.130  3.1662  80.542  3.0758  -2.412163      4.414255 
1 1 1 6   14  21 o 25.423  2.2047  89.225    14.438    108.717   20.798    71.093    20.060    28.218  2.7882  22.629  3.4159  5.588356       4.409357 
1 1 1 6   14  22 o 31.512  2.0606  135.861   17.178    130.975   24.476    140.604   24.116    30.932  2.9916  32.093  2.8347  -1.160946      4.121286 
1 1 1 6   14  23 o 62.195  2.0965  525.788   34.925    531.499   49.501    520.127   49.281    62.534  2.9554  61.856  2.9745  0.6785393      4.193061 
1 1 1 6   14  24 o 40.769  2.9969  227.763   32.496    227.763   32.496    0.0000    0.0000    40.769  2.9969  ?       ?       ?              ?        
1 1 1 6   14  25 o 45.171  2.0497  279.870   24.663    284.411   34.767    275.270   34.991    45.554  2.8640  44.789  2.9330  0.7657127      4.099360 
1 1 1 6   14  26 o 82.356  2.3466  937.144   51.739    967.111   73.030    906.946   73.310    83.725  3.2566  80.987  3.3795  2.737328       4.693236 
1 1 1 6   14  27 o 48.243  2.0978  322.015   26.964    309.549   37.864    334.841   38.406    47.272  3.0061  49.214  2.9268  -1.941914      4.195517 
1 1 1 6   14  28 o 37.104  2.1723  192.446   21.395    190.472   30.124    194.455   30.391    36.910  3.0751  37.299  3.0692  -0.3889389     4.344682 
1 1 1 6   14  29 o 6.3837  3.0035  -13.0811  13.190    -13.0811  13.190    0.0000    0.0000    6.3837  3.0035  ?       ?       ?              ?        
1 1 1 6   14  30 o 8.3486  3.6492  -1.4502   15.474    -1.4502   15.474    0.0000    0.0000    8.3486  3.6492  ?       ?       ?              ?        
1 1 1 6   14  31 o 14.498  4.3703  31.666    18.378    0.0000    0.0000    31.666    18.378    ?       ?       14.498  4.3703  ?              ?        
1 1 1 6   14  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   14  33 o 49.097  2.2967  349.080   29.999    361.565   42.091    336.191   42.766    50.098  3.1529  48.096  3.3404  2.001194       4.593386 
1 1 1 6   15  0  o 396.254 7.4830  21384.14  794.169   21645.18  1122.69   21122.71  1123.56   398.718 10.513  393.790 10.652  4.927795       14.96607 
1 1 1 6   15  1  o 141.153 2.9878  2675.73   112.961   2677.24   159.324   2674.20   160.180   141.194 4.2128  141.112 4.2380  0.8265686E-01  5.975642 
1 1 1 6   15  2  o 184.880 3.7110  4597.81   183.767   4620.47   259.553   4575.05   260.219   185.340 5.2284  184.421 5.2679  0.9193115      7.422085 
1 1 1 6   15  3  o 271.610 5.2287  9969.11   380.317   9739.78   537.422   10199.18  538.277   268.455 7.4740  274.766 7.3140  -6.310944      10.45732 
1 1 1 6   15  4  o 166.396 3.4307  3722.83   152.889   3777.50   216.220   3668.16   216.214   167.623 4.8159  165.170 4.8873  2.453384       6.861329 
1 1 1 6   15  5  o 80.731  2.1816  874.349   47.169    891.097   66.699    857.592   66.714    81.506  3.0552  79.956  3.1151  1.549469       4.363293 
1 1 1 6   15  6  o 111.226 2.5905  1660.70   77.172    1683.99   109.327   1637.56   108.949   112.005 3.6442  110.448 3.6828  1.557556       5.181035 
1 1 1 6   15  7  o 49.114  1.8996  324.671   24.872    310.263   35.264    338.933   35.086    48.020  2.7532  50.207  2.6181  -2.187084      3.799300 
1 1 1 6   15  8  f 66.317  2.0284  590.004   36.027    586.227   51.224    593.702   50.681    66.107  2.8929  66.528  2.8441  -0.4219437     4.056849 
1 1 1 6   15  9  o 53.961  1.9386  391.561   27.934    376.302   39.868    406.275   39.150    52.886  2.8247  55.036  2.6558  -2.149452      3.877153 
1 1 1 6   15  10 o 95.339  2.3716  1220.73   60.560    1223.39   85.984    1218.12   85.309    95.442  3.3635  95.237  3.3443  0.2043915      4.743137 
1 1 1 6   15  11 o 130.786 2.8407  2302.72   99.403    2439.07   141.103   2168.39   140.057   134.648 3.9125  126.925 4.1197  7.722191       5.681489 
1 1 1 6   15  12 o 78.917  2.1744  836.700   45.957    856.279   65.424    817.630   64.570    79.830  3.0597  78.005  3.0904  1.824997       4.348892 
1 1 1 6   15  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   15  14 o 97.596  2.4243  1283.90   63.330    1232.23   89.717    1335.22   89.407    95.626  3.5028  99.567  3.3525  -3.941902      4.848564 
1 1 1 6   15  15 o 51.291  1.9369  354.929   26.508    364.591   37.641    345.424   37.335    51.989  2.7125  50.593  2.7656  1.395916       3.873792 
1 1 1 6   15  16 o 128.118 2.8711  2225.57   98.501    2285.22   139.527   2166.31   139.078   129.848 4.0117  126.388 4.1083  3.460022       5.742120 
1 1 1 6   15  17 o 41.890  1.9160  237.392   21.375    246.010   30.576    229.156   29.892    42.639  2.6911  41.140  2.7281  1.498447       3.832032 
1 1 1 6   15  18 o 13.902  2.5598  26.982    9.9972    37.537    14.220    16.667    14.058    16.355  3.3586  11.450  3.8639  4.905032       5.119572 
1 1 1 6   15  19 o 54.013  2.0024  395.422   28.853    412.493   41.060    378.770   40.553    55.178  2.7872  52.849  2.8756  2.329369       4.004726 
1 1 1 6   15  20 o 64.772  2.1178  568.665   36.722    591.153   52.018    546.324   51.848    66.063  2.9397  63.481  3.0493  2.581425       4.235560 
1 1 1 6   15  21 o 76.254  2.2338  790.431   45.623    799.354   64.615    781.559   64.427    76.688  3.1457  75.820  3.1724  0.8679047      4.467655 
1 1 1 6   15  22 o 66.985  2.1289  610.455   38.196    607.896   54.028    613.012   54.006    66.843  3.0177  67.128  3.0036  -0.2855606     4.257743 
1 1 1 6   15  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   15  24 o 33.127  2.1440  151.270   18.742    168.341   27.003    135.403   26.034    34.981  2.9084  31.273  3.1509  3.707846       4.287950 
1 1 1 6   15  25 o 20.396  2.6943  60.358    14.065    44.488    19.767    76.629    20.016    17.442  4.2665  23.350  3.2917  -5.908056      5.388666 
1 1 1 6   15  26 o 49.327  2.1207  337.001   27.884    341.277   39.660    332.821   39.212    49.639  2.9970  49.016  3.0012  0.6231461      4.241349 
1 1 1 6   15  27 o 10.598  2.6708  11.078    10.663    -2.5391   15.138    24.487    15.021    8.1676  3.5886  13.028  3.9565  -4.860277      5.341571 
1 1 1 6   15  28 o 21.933  2.7041  70.224    15.301    67.011    21.583    73.470    21.696    21.377  3.9137  22.490  3.7325  -1.112812      5.408225 
1 1 1 6   15  29 o 9.8390  4.0069  7.1800    16.611    7.1800    16.611    0.0000    0.0000    9.8390  4.0069  ?       ?       ?              ?        
1 1 1 6   15  30 o 34.645  6.2697  196.503   56.038    196.503   56.038    0.0000    0.0000    34.645  6.2697  ?       ?       ?              ?        
1 1 1 6   15  31 o 7.7265  3.5342  -8.5180   16.399    0.0000    0.0000    -8.5180   16.399    ?       ?       7.7265  3.5342  ?              ?        
1 1 1 6   15  32 o 46.350  2.3179  311.388   28.569    323.851   40.412    298.939   40.392    47.357  3.2048  45.342  3.3496  2.015190       4.635786 
1 1 1 6   16  0  o 65.781  1.9686  580.236   34.681    579.467   48.702    581.028   49.399    65.737  2.7660  65.825  2.8018  -0.8740997E-01 3.937105 
1 1 1 6   16  1  o 45.387  1.8533  277.205   22.385    254.324   31.392    300.876   31.930    43.467  2.7098  47.306  2.5291  -3.838806      3.706659 
1 1 1 6   16  2  f 343.314 6.4633  16007.13  594.342   16025.06  840.107   15989.17  840.948   343.511 9.1307  343.116 9.1504  0.3952026      12.92670 
1 1 1 6   16  3  o 190.484 3.7981  4883.45   193.768   4803.94   273.645   4963.41   274.416   188.923 5.4077  192.046 5.3348  -3.122879      7.596265 
1 1 1 6   16  4  o 20.013  2.3539  55.274    12.150    57.007    16.804    53.375    17.589    20.371  3.1839  19.654  3.4679  0.7172222      4.707872 
1 1 1 6   16  5  o 176.227 3.5475  4179.13   167.414   4076.88   236.687   4281.50   236.831   174.060 5.0768  178.394 4.9564  -4.334366      7.095044 
1 1 1 6   16  6  o 75.088  2.1109  756.542   42.445    737.706   60.027    775.377   60.025    74.151  3.0223  76.024  2.9478  -1.873062      4.221801 
1 1 1 6   16  7  o 190.453 3.8340  4889.42   195.564   4815.45   276.792   4963.15   276.349   189.005 5.4675  191.902 5.3764  -2.897339      7.668071 
1 1 1 6   16  8  o 190.244 3.7868  4882.09   192.934   4791.54   273.124   4972.27   272.577   188.469 5.4104  192.019 5.2998  -3.549469      7.573637 
1 1 1 6   16  9  o 91.656  2.3161  1128.48   56.857    1144.07   80.715    1113.13   80.105    92.285  3.2654  91.026  3.2855  1.258041       4.632236 
1 1 1 6   16  10 o 12.101  2.7121  18.793    10.123    25.621    14.487    12.279    14.150    13.612  3.8183  10.590  3.8526  3.022697       5.424222 
1 1 1 6   16  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   16  12 o 16.985  2.4611  40.130    10.787    41.933    16.017    38.634    14.593    17.329  3.5695  16.641  3.3891  0.6878128      4.922151 
1 1 1 6   16  13 o 40.385  1.9103  220.287   20.543    224.374   29.159    216.260   28.947    40.761  2.6859  40.010  2.7172  0.7511101      3.820638 
1 1 1 6   16  14 o 26.576  2.0280  96.308    14.188    92.443    20.237    100.044   19.898    26.031  2.9549  27.121  2.7783  -1.089588      4.055915 
1 1 1 6   16  15 o 47.110  1.9409  300.038   24.380    300.432   34.829    299.660   34.138    47.136  2.7709  47.084  2.7185  0.5229187E-01  3.881743 
1 1 1 6   16  16 o 94.764  2.3917  1215.78   60.705    1225.17   86.033    1206.47   85.669    95.130  3.3764  94.398  3.3882  0.7323761      4.783326 
1 1 1 6   16  17 o 40.315  1.9650  220.483   21.061    235.304   30.065    206.203   29.511    41.664  2.7088  38.966  2.8473  2.698307       3.929934 
1 1 1 6   16  18 o 11.279  2.5433  14.710    9.4447    27.367    13.878    3.7913    12.890    13.931  3.6686  8.6273  3.5234  5.304041       5.086538 
1 1 1 6   16  19 o 66.505  2.1277  599.658   37.900    600.807   53.766    598.523   53.432    66.566  3.0155  66.443  3.0024  0.1230850      4.255307 
1 1 1 6   16  20 o 32.686  2.0901  146.105   18.093    151.922   25.849    140.519   25.333    33.336  2.9246  32.036  2.9867  1.299503       4.180153 
1 1 1 6   16  21 o 11.795  2.7930  18.159    10.388    18.750    14.798    17.585    14.586    11.934  3.9638  11.656  3.9359  0.2783461      5.585908 
1 1 1 6   16  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   16  23 f 51.265  2.1304  361.139   29.122    366.854   41.378    355.529   40.995    51.673  3.0026  50.857  3.0230  0.8151436      4.260815 
1 1 1 6   16  24 o 51.657  2.1373  368.235   29.442    365.096   41.709    371.352   41.566    51.427  3.0415  51.886  3.0037  -0.4593010     4.274649 
1 1 1 6   16  25 o 26.732  2.3368  101.279   16.232    89.979    23.304    111.927   22.622    25.153  3.5582  28.311  3.0303  -3.157873      4.673688 
1 1 1 6   16  26 o 10.699  2.8278  13.169    10.906    12.639    15.382    13.704    15.465    10.592  3.9869  10.806  4.0113  -0.2142143     5.655670 
1 1 1 6   16  27 o 15.441  3.0280  35.739    12.959    33.920    19.147    37.277    17.605    15.075  4.4414  15.808  4.1170  -0.7328014     6.056019 
1 1 1 6   16  28 o 17.880  4.1040  47.826    19.238    47.826    19.238    0.0000    0.0000    17.880  4.1040  ?       ?       ?              ?        
1 1 1 6   16  29 o 44.896  3.2392  286.004   38.691    286.004   38.691    0.0000    0.0000    44.896  3.2392  ?       ?       ?              ?        
1 1 1 6   16  30 o 30.117  3.5904  132.311   28.392    0.0000    0.0000    132.311   28.392    ?       ?       30.117  3.5904  ?              ?        
1 1 1 6   16  31 o 15.032  3.4272  36.581    15.910    28.452    25.568    41.717    20.325    13.875  5.1563  16.189  4.5162  -2.314292      6.854485 
1 1 1 6   17  0  o 212.450 4.1569  6080.83   236.536   6128.56   333.905   6032.74   335.123   213.294 5.8446  211.605 5.9127  1.688507       8.313837 
1 1 1 6   17  1  o 110.639 2.5474  1643.16   75.487    1649.91   106.373   1636.31   107.140   110.869 3.5820  110.409 3.6229  0.4604340      5.094768 
1 1 1 6   17  2  o 180.802 3.6782  4399.44   178.126   4371.31   251.473   4427.78   252.346   180.221 5.2095  181.384 5.1941  -1.163040      7.356452 
1 1 1 6   17  3  o 87.926  2.2815  1037.52   53.727    1048.74   75.812    1026.19   76.151    88.405  3.2016  87.447  3.2512  0.9582901      4.562954 
1 1 1 6   17  4  o 199.233 3.9131  5349.74   208.804   5417.90   295.154   5281.46   295.433   200.512 5.4956  197.954 5.5719  2.557968       7.826140 
1 1 1 6   17  5  o 69.092  2.0619  640.526   38.157    642.776   54.116    638.302   53.810    69.212  2.9191  68.971  2.9128  0.2410278      4.123760 
1 1 1 6   17  6  o 86.271  2.2755  999.424   52.578    987.744   74.414    1011.07   74.298    85.766  3.2393  86.776  3.1966  -1.009735      4.550974 
1 1 1 6   17  7  f 77.913  2.1758  816.047   45.292    889.016   64.398    744.620   63.714    81.372  2.9547  74.455  3.1948  6.916893       4.351680 
1 1 1 6   17  8  o 115.245 2.6450  1787.09   81.643    1780.83   115.761   1793.28   115.162   115.042 3.7568  115.448 3.7242  -0.4058990     5.289924 
1 1 1 6   17  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   17  10 o 118.467 2.7273  1892.45   86.481    1985.79   122.973   1801.11   121.644   121.373 3.7827  115.562 3.9299  5.811081       5.454647 
1 1 1 6   17  11 o 25.044  2.0465  85.439    13.428    94.331    19.297    77.092    18.697    26.341  2.7770  23.748  3.0067  2.592480       4.092949 
1 1 1 6   17  12 o 59.488  2.0256  476.389   32.273    484.982   45.894    467.983   45.392    60.020  2.8548  58.956  2.8745  1.063393       4.051229 
1 1 1 6   17  13 o 60.036  2.0363  487.244   32.610    452.752   46.298    521.201   45.938    57.869  2.9972  62.203  2.7572  -4.334522      4.072545 
1 1 1 6   17  14 o 150.599 3.2394  3096.19   130.557   2954.89   184.815   3236.94   184.455   147.100 4.6907  154.098 4.4690  -6.997742      6.478740 
1 1 1 6   17  15 o 104.253 2.5140  1474.60   70.190    1452.54   99.521    1496.43   99.010    103.464 3.5912  105.042 3.5190  -1.578651      5.027948 
1 1 1 6   17  16 o 49.590  1.9929  333.365   26.361    336.031   37.390    330.730   37.172    49.789  2.8152  49.392  2.8215  0.3969040      3.985797 
1 1 1 6   17  17 o 67.433  2.1208  615.940   38.305    617.616   54.361    614.287   53.984    67.523  3.0057  67.344  2.9928  0.1789246      4.241575 
1 1 1 6   17  18 o 98.850  2.5038  1332.13   66.291    1331.56   93.918    1332.70   93.582    98.825  3.5481  98.875  3.5336  -0.4921722E-01 5.007512 
1 1 1 6   17  19 o 44.638  2.0175  271.471   23.991    277.881   34.035    265.142   33.822    45.171  2.8273  44.105  2.8788  1.065128       4.034976 
1 1 1 6   17  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   17  21 o 39.694  2.0893  216.274   22.021    230.901   31.369    202.061   30.921    41.050  2.8711  38.337  3.0362  2.713848       4.178654 
1 1 1 6   17  22 o 48.765  2.1136  327.138   27.466    319.145   38.872    335.108   38.813    48.151  3.0295  49.379  2.9480  -1.228725      4.227143 
1 1 1 6   17  23 o 30.978  2.2435  134.103   18.262    120.995   25.876    147.111   25.777    29.384  3.3475  32.572  2.9879  -3.187864      4.486972 
1 1 1 6   17  24 o 17.354  2.7231  43.710    12.783    66.801    18.734    23.591    17.487    21.683  3.3322  13.024  4.3080  8.659297       5.446273 
1 1 1 6   17  25 f 25.190  2.5039  91.167    16.264    78.104    22.983    104.270   23.018    23.214  3.8299  27.167  3.2264  -3.953321      5.007760 
1 1 1 6   17  26 o 22.767  2.7443  75.915    15.867    98.656    23.042    55.409    21.880    26.317  3.3444  19.217  4.3520  7.100525       5.488585 
1 1 1 6   17  27 o 14.146  2.8787  28.252    12.750    46.567    18.111    10.257    17.952    17.711  3.9212  10.582  4.2156  7.129400       5.757396 
1 1 1 6   17  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   17  29 o 12.935  5.5029  12.269    33.376    12.269    33.376    0.0000    0.0000    12.935  5.5029  ?       ?       ?              ?        
1 1 1 6   17  30 o 8.2460  3.6844  -3.5283   16.631    0.0000    0.0000    -3.5283   16.631    ?       ?       8.2460  3.6844  ?              ?        
1 1 1 6   18  0  o 81.772  2.1644  897.097   47.402    894.947   66.605    899.303   67.477    81.673  3.0447  81.870  3.0771  -0.1969604     4.328814 
1 1 1 6   18  1  o 129.195 2.8372  2243.30   98.154    2292.04   138.376   2193.94   139.249   130.613 3.9553  127.776 4.0687  2.837410       5.674405 
1 1 1 6   18  2  o 101.868 2.4173  1393.59   65.943    1417.58   92.891    1369.21   93.628    102.755 3.3751  100.980 3.4616  1.774719       4.834659 
1 1 1 6   18  3  o 58.497  1.9970  459.197   31.285    468.565   44.259    449.842   44.228    59.095  2.7962  57.900  2.8519  1.194901       3.993943 
1 1 1 6   18  4  f 125.394 2.7977  2114.69   93.958    2078.45   132.693   2151.12   133.061   124.313 3.9851  126.475 3.9278  -2.162415      5.595480 
1 1 1 6   18  5  o 31.048  1.9832  130.464   16.313    131.755   23.025    129.162   23.117    31.206  2.7840  30.890  2.8253  0.3158607      3.966424 
1 1 1 6   18  6  o 59.327  2.0266  472.691   32.202    480.581   45.700    464.910   45.383    59.820  2.8522  58.835  2.8799  0.9849968      4.053216 
1 1 1 6   18  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   18  8  o 118.413 2.7256  1890.68   86.443    1876.62   122.498   1904.63   122.001   117.969 3.8768  118.856 3.8322  -0.8864212     5.451175 
1 1 1 6   18  9  o 68.476  2.0778  630.884   38.108    628.898   54.073    632.844   53.715    68.367  2.9528  68.585  2.9240  -0.2172318     4.155609 
1 1 1 6   18  10 o 58.187  2.0078  455.695   31.290    459.306   44.531    452.172   43.976    58.414  2.8462  57.960  2.8327  0.4540100      4.015571 
1 1 1 6   18  11 o 43.050  1.9578  250.801   22.438    243.051   31.977    258.318   31.493    42.382  2.8332  43.718  2.7027  -1.336052      3.915529 
1 1 1 6   18  12 o 52.491  2.0078  372.254   28.089    407.134   40.120    338.720   39.339    54.962  2.7253  50.020  2.9493  4.942047       4.015665 
1 1 1 6   18  13 o 65.832  2.0960  585.766   36.932    563.955   52.450    607.213   52.013    64.603  3.0312  67.061  2.8957  -2.457977      4.192030 
1 1 1 6   18  14 o 77.736  2.2304  817.947   46.418    852.573   66.133    784.325   65.168    79.369  3.1108  76.104  3.1970  3.265320       4.460712 
1 1 1 6   18  15 o 33.832  2.0452  155.919   18.353    156.413   26.163    155.439   25.752    33.881  2.9113  33.782  2.8732  0.9896851E-01  4.090346 
1 1 1 6   18  16 o 55.017  2.0703  411.505   30.370    395.626   43.230    426.978   42.674    53.945  3.0038  56.089  2.8499  -2.144073      4.140626 
1 1 1 6   18  17 o 26.712  2.2040  98.223    15.472    98.379    21.934    98.068    21.829    26.733  3.1220  26.692  3.1117  0.4057503E-01  4.407948 
1 1 1 6   18  18 o 50.276  2.0645  344.721   27.676    340.658   39.372    348.689   38.911    49.971  2.9547  50.581  2.8840  -0.6092758     4.128903 
1 1 1 6   18  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   18  20 o 50.994  2.1186  356.811   28.775    379.291   40.996    334.980   40.400    52.613  2.9206  49.376  3.0700  3.237026       4.237275 
1 1 1 6   18  21 o 18.751  2.7718  50.947    13.456    46.969    19.524    54.547    18.572    17.972  4.1409  19.529  3.6857  -1.556425      5.543609 
1 1 1 6   18  22 o 43.009  2.1358  256.324   24.429    248.305   34.791    264.122   34.309    42.308  3.0915  43.709  2.9477  -1.400711      4.271564 
1 1 1 6   18  23 o 11.122  2.7864  15.145    10.791    7.3316    15.830    21.928    14.749    9.7831  3.9375  12.462  3.9435  -2.678643      5.572723 
1 1 1 6   18  24 o 35.201  2.2434  174.361   20.874    164.382   29.818    183.951   29.231    34.138  3.3023  36.265  3.0373  -2.127502      4.486718 
1 1 1 6   18  25 o 12.393  2.6486  17.142    11.838    41.136    16.806    -6.4911   16.679    16.686  3.8399  8.1006  3.6489  8.585585       5.297115 
1 1 1 6   18  26 o 17.000  3.1157  43.593    14.407    51.563    20.790    36.228    19.984    18.508  4.2792  15.492  4.5298  3.016315       6.231449 
1 1 1 6   18  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   18  28 o 17.162  4.5912  46.220    21.517    46.220    21.517    0.0000    0.0000    17.162  4.5912  ?       ?       ?              ?        
1 1 1 6   19  0  o 36.303  1.9186  177.806   18.517    177.908   25.941    177.701   26.441    36.317  2.6859  36.290  2.7404  0.2640152E-01  3.837157 
1 1 1 6   19  1  o 108.822 2.5493  1591.76   74.292    1616.68   104.645   1566.45   105.490   109.685 3.5619  107.959 3.6481  1.726280       5.098584 
1 1 1 6   19  2  o 124.700 2.7562  2091.77   92.051    2056.06   129.678   2128.04   130.688   123.625 3.9163  125.775 3.8793  -2.150673      5.512348 
1 1 1 6   19  3  o 79.202  2.1610  842.688   45.842    844.862   64.648    840.489   65.013    79.305  3.0434  79.098  3.0687  0.2075195      4.321936 
1 1 1 6   19  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   19  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   19  6  o 12.572  2.6398  21.323    9.7610    14.979    13.833    27.615    13.775    11.090  3.8309  14.054  3.6329  -2.963418      5.279590 
1 1 1 6   19  7  o 63.377  2.0272  540.412   34.402    556.725   48.735    524.209   48.569    64.334  2.8282  62.420  2.9050  1.914482       4.054381 
1 1 1 6   19  8  o 19.754  2.2419  54.242    11.377    46.813    16.212    61.450    15.969    18.337  3.4268  21.172  2.8916  -2.834585      4.483775 
1 1 1 6   19  9  o 47.139  1.9647  300.504   24.677    292.103   35.224    308.602   34.582    46.479  2.8431  47.798  2.7123  -1.319405      3.929386 
1 1 1 6   19  10 o 53.424  2.0074  385.880   28.621    387.681   40.635    384.108   40.320    53.547  2.8434  53.300  2.8344  0.2464409      4.014848 
1 1 1 6   19  11 o 65.302  2.1007  575.860   36.740    586.539   52.221    565.392   51.700    65.904  2.9583  64.700  2.9833  1.203491       4.201385 
1 1 1 6   19  12 o 30.318  2.0823  125.613   16.633    114.037   23.499    137.235   23.546    28.875  3.0861  31.760  2.7964  -2.884159      4.164560 
1 1 1 6   19  13 o 46.138  2.0276  288.837   24.922    300.270   35.494    277.721   35.000    47.049  2.8297  45.226  2.9046  1.823257       4.055135 
1 1 1 6   19  14 o 49.888  2.0216  337.890   26.898    337.100   38.257    338.661   37.827    49.825  2.8789  49.950  2.8391  -0.1249390     4.043296 
1 1 1 6   19  15 o 55.359  2.0729  416.530   30.633    396.448   43.526    436.239   43.121    53.973  3.0230  56.745  2.8371  -2.772598      4.145790 
1 1 1 6   19  16 o 8.8110  2.3474  3.6955    8.5446    16.162    12.256    -8.0961   11.919    11.051  3.6042  6.5710  3.0084  4.479869       4.694723 
1 1 1 6   19  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   19  18 o 29.587  2.3281  122.864   17.376    163.068   25.073    85.707    24.104    34.511  2.7348  24.663  3.7684  9.848305       4.656163 
1 1 1 6   19  19 o 45.681  2.1644  287.191   26.327    292.236   37.570    282.323   36.902    46.076  3.0617  45.285  3.0603  0.7910728      4.328846 
1 1 1 6   19  20 o 12.092  2.4292  10.635    10.896    43.857    16.715    -13.9174  14.369    17.448  3.6917  6.7366  3.1584  10.71155       4.858456 
1 1 1 6   19  21 o 8.2106  2.5103  -0.9543   10.184    -4.1749   14.779    1.9577    14.053    7.8923  3.5030  8.5289  3.5966  -0.6365895     5.020668 
1 1 1 6   19  22 o 19.045  2.8805  53.467    14.368    70.442    20.750    37.834    19.913    22.138  3.6248  15.951  4.4776  6.187505       5.760920 
1 1 1 6   19  23 o 16.230  2.9732  39.070    13.852    21.028    19.536    57.310    19.643    12.664  4.5376  19.797  3.8430  -7.132854      5.946315 
1 1 1 6   19  24 o 36.315  2.3131  186.403   22.217    174.296   31.337    198.637   31.502    35.059  3.3790  37.572  3.1596  -2.512905      4.626128 
1 1 1 6   19  25 o 19.104  2.9664  54.347    14.851    69.225    21.807    41.476    20.282    21.688  3.8971  16.521  4.4733  5.166750       5.932819 
1 1 1 6   19  26 o 42.518  2.3831  258.740   26.880    246.217   38.184    271.043   37.846    41.408  3.4749  43.628  3.2622  -2.220188      4.766234 
1 1 1 6   19  27 o 18.489  4.4395  53.343    21.709    53.343    21.709    0.0000    0.0000    18.489  4.4395  ?       ?       ?              ?        
1 1 1 6   20  0  o 18.045  2.5416  46.038    11.828    58.371    16.641    33.444    16.815    20.615  3.1105  15.475  4.0203  5.139960       5.083124 
1 1 1 6   20  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   20  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   20  3  o 80.690  2.1796  875.756   47.105    880.513   66.448    870.950   66.787    80.912  3.0660  80.468  3.0987  0.4442368      4.359175 
1 1 1 6   20  4  o 82.513  2.2257  916.485   49.179    890.062   69.365    943.189   69.734    81.313  3.1849  83.714  3.1100  -2.401611      4.451464 
1 1 1 6   20  5  o 109.978 2.6163  1632.81   77.063    1660.06   108.982   1605.57   108.984   110.903 3.6688  109.053 3.7311  1.849770       5.232694 
1 1 1 6   20  6  o 19.199  2.3361  51.203    11.545    45.267    16.236    57.275    16.419    18.011  3.4914  20.387  3.1049  -2.375805      4.672279 
1 1 1 6   20  7  o 19.083  2.3471  50.731    11.511    58.017    16.356    43.581    16.203    20.519  3.0703  17.647  3.5509  2.872707       4.694212 
1 1 1 6   20  8  o 34.202  1.9871  158.798   18.035    153.893   25.521    163.690   25.488    33.663  2.8575  34.740  2.7619  -1.077602      3.974119 
1 1 1 6   20  9  o 108.404 2.6231  1594.46   76.156    1623.60   107.975   1565.61   107.429   109.399 3.6849  107.409 3.7342  1.990112       5.246157 
1 1 1 6   20  10 o 10.665  2.6523  13.634    9.4068    12.803    13.428    14.434    13.182    10.509  3.7623  10.822  3.7396  -0.3134203     5.304675 
1 1 1 6   20  11 o 108.389 2.6207  1598.48   76.064    1560.48   107.763   1636.21   107.380   107.082 3.7572  109.696 3.6546  -2.614647      5.241458 
1 1 1 6   20  12 o 10.135  2.5912  11.716    9.0153    10.787    13.464    12.471    12.138    10.082  3.7428  10.188  3.5846  -0.1055679     5.182398 
1 1 1 6   20  13 o 15.273  2.7591  33.217    11.447    26.609    16.353    39.565    16.029    13.831  4.1121  16.716  3.6798  -2.884549      5.518147 
1 1 1 6   20  14 o 56.123  2.0797  428.517   31.146    442.095   44.484    415.460   43.624    57.003  2.9233  55.244  2.9589  1.758919       4.159445 
1 1 1 6   20  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   20  16 o 35.512  2.1586  173.310   20.329    173.266   29.029    173.353   28.478    35.499  3.0836  35.526  3.0215  -0.2732468E-01 4.317212 
1 1 1 6   20  17 o 59.463  2.1849  485.417   34.675    484.824   49.427    485.992   48.658    59.415  3.1167  59.512  3.0629  -0.9688950E-01 4.369840 
1 1 1 6   20  18 o 59.166  2.2036  482.599   34.783    469.270   49.377    495.729   49.005    58.322  3.1727  60.010  3.0590  -1.687328      4.407234 
1 1 1 6   20  19 o 28.591  2.2960  114.170   17.248    121.956   24.970    107.064   23.854    29.547  3.2066  27.635  3.2871  1.912024       4.592095 
1 1 1 6   20  20 o 19.900  2.8209  59.458    14.508    37.829    20.755    80.126    20.289    15.985  4.5999  23.814  3.2668  -7.829368      5.641890 
1 1 1 6   20  21 o 33.686  2.2965  159.459   20.456    164.951   29.317    154.248   28.557    34.263  3.2328  33.109  3.2625  1.153049       4.592939 
1 1 1 6   20  22 o 28.939  2.4816  119.310   18.593    142.491   26.955    98.268    25.680    31.791  3.2094  26.086  3.7859  5.704739       4.963215 
1 1 1 6   20  23 o 32.921  2.3783  154.227   20.575    139.592   29.182    168.694   29.015    31.247  3.5497  34.596  3.1663  -3.348866      4.756670 
1 1 1 6   20  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   20  25 o 28.752  2.6272  120.868   19.725    128.975   28.154    113.051   27.646    29.780  3.6028  27.724  3.8247  2.055990       5.254435 
1 1 1 6   20  26 o 7.0256  3.2813  -12.1046  15.260    -12.1046  15.260    0.0000    0.0000    7.0256  3.2813  ?       ?       ?              ?        
1 1 1 6   21  0  o 45.620  1.8819  281.056   22.765    245.069   31.881    318.492   32.517    42.608  2.8093  48.631  2.5048  -6.023769      3.763827 
1 1 1 6   21  1  o 38.987  1.9072  205.583   19.756    218.086   27.824    192.872   28.056    40.201  2.5979  37.772  2.7929  2.429459       3.814367 
1 1 1 6   21  2  f 26.596  2.0738  96.819    14.412    108.544   20.287    84.872    20.478    28.282  2.7113  24.911  3.1387  3.370888       4.147632 
1 1 1 6   21  3  o 65.456  2.0425  576.812   35.804    564.075   50.429    589.759   50.844    64.725  2.9088  66.187  2.8680  -1.462143      4.084923 
1 1 1 6   21  4  o 64.866  2.0382  566.792   35.403    548.957   49.807    585.005   50.333    63.831  2.9132  65.901  2.8515  -2.070724      4.076499 
1 1 1 6   21  5  o 73.088  2.1464  720.682   42.016    707.097   59.312    734.366   59.527    72.393  3.0588  73.784  3.0120  -1.390968      4.292890 
1 1 1 6   21  6  o 52.722  1.9571  375.774   27.540    372.920   38.791    378.674   39.105    52.520  2.7673  52.924  2.7682  -0.4046402     3.914234 
1 1 1 6   21  7  o 69.717  2.1259  656.708   39.686    636.874   55.969    676.763   56.281    68.650  3.0438  70.783  2.9685  -2.132706      4.251714 
1 1 1 6   21  8  o 42.825  1.9829  248.726   22.610    257.199   32.060    240.341   31.892    43.561  2.7620  42.088  2.8457  1.473354       3.965739 
1 1 1 6   21  9  o 45.370  1.9877  279.238   24.032    284.706   33.988    273.771   33.984    45.822  2.7825  44.919  2.8393  0.9033356      3.975361 
1 1 1 6   21  10 o 37.510  2.0380  191.482   20.313    197.072   28.813    185.958   28.642    38.065  2.8466  36.956  2.9173  1.109375       4.076018 
1 1 1 6   21  11 o 36.734  2.0850  183.999   20.336    189.607   28.895    178.494   28.626    37.300  2.9154  36.169  2.9814  1.130871       4.169951 
1 1 1 6   21  12 o 17.817  2.5465  44.921    11.734    37.861    16.442    52.249    16.750    16.314  3.8285  19.321  3.3587  -3.006611      5.092919 
1 1 1 6   21  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   21  14 o 55.337  2.1282  418.762   31.410    410.098   44.780    427.153   44.070    54.751  3.0659  55.924  2.9526  -1.172390      4.256462 
1 1 1 6   21  15 o 26.184  2.3487  95.348    16.074    102.536   23.150    88.657    22.336    27.171  3.2452  25.196  3.3963  1.975336       4.697414 
1 1 1 6   21  16 o 48.914  2.1605  329.292   28.164    330.858   39.882    327.734   39.778    49.032  3.0519  48.796  3.0590  0.2360802      4.321043 
1 1 1 6   21  17 o 38.532  2.1824  205.575   22.332    209.764   31.823    201.510   31.347    38.925  3.0774  38.140  3.0952  0.7852898      4.364716 
1 1 1 6   21  18 o 35.452  2.2283  175.103   20.914    186.152   29.907    164.529   29.257    36.584  3.0807  34.320  3.2203  2.263893       4.456575 
1 1 1 6   21  19 o 38.529  2.2507  207.681   22.991    219.348   32.599    196.135   32.429    39.657  3.0934  37.401  3.2700  2.256596       4.501361 
1 1 1 6   21  20 o 20.241  2.7840  60.002    14.546    58.244    20.728    61.708    20.418    19.905  4.0261  20.576  3.8461  -0.6710434     5.567937 
1 1 1 6   21  21 o 58.996  2.2832  488.117   35.928    505.797   51.164    470.919   50.462    60.083  3.1907  57.908  3.2667  2.175266       4.566394 
1 1 1 6   21  22 o 14.952  3.1939  33.084    14.162    41.921    20.147    24.453    19.910    16.649  4.4373  13.254  4.5950  3.394882       6.387774 
1 1 1 6   21  23 o 24.390  4.0580  88.154    25.579    0.0000    0.0000    88.154    25.579    ?       ?       24.390  4.0580  ?              ?        
1 1 1 6   21  24 o 14.409  3.2277  31.219    14.071    38.114    20.625    25.214    19.247    15.657  4.6086  13.161  4.5203  2.495946       6.455427 
1 1 1 6   22  0  o 56.577  1.9422  431.560   29.366    444.344   41.321    418.513   41.743    57.466  2.6846  55.688  2.8076  1.777157       3.884488 
1 1 1 6   22  1  o 72.189  2.0849  702.072   40.299    676.915   56.528    728.069   57.465    70.870  2.9780  73.508  2.9187  -2.638176      4.169743 
1 1 1 6   22  2  o 58.657  1.9785  464.241   30.992    435.023   43.522    494.299   44.143    56.738  2.8732  60.577  2.7206  -3.838322      3.956918 
1 1 1 6   22  3  o 21.579  2.1782  64.508    12.139    57.397    17.442    71.186    16.904    20.351  3.3138  22.806  2.8279  -2.454651      4.356444 
1 1 1 6   22  4  o 97.437  2.4229  1285.46   63.234    1275.63   89.100    1295.44   89.756    97.062  3.4272  97.813  3.4259  -0.7508926     4.845894 
1 1 1 6   22  5  o 52.349  2.0055  371.108   28.013    365.338   39.641    376.863   39.592    51.937  2.8606  52.762  2.8117  -0.8251801     4.011070 
1 1 1 6   22  6  o 70.569  2.1277  673.622   40.212    684.766   56.788    662.414   56.949    71.161  2.9794  69.977  3.0384  1.184509       4.255403 
1 1 1 6   22  7  o 41.355  1.9867  232.175   21.828    213.103   30.534    252.109   31.216    39.593  2.8994  43.118  2.7168  -3.525612      3.973349 
1 1 1 6   22  8  o 47.665  2.0154  308.617   25.586    325.172   36.259    292.197   36.111    48.960  2.7763  46.371  2.9223  2.589382       4.030889 
1 1 1 6   22  9  o 22.273  2.3727  69.058    13.642    77.512    19.402    60.793    19.185    23.700  3.1332  20.846  3.5640  2.854036       4.745457 
1 1 1 6   22  10 o 56.053  2.0891  427.653   31.233    447.426   44.306    408.122   44.034    57.363  2.8930  54.743  3.0147  2.619732       4.178236 
1 1 1 6   22  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   22  12 o 41.946  2.1355  240.796   23.823    249.387   34.188    232.687   33.214    42.679  3.0100  41.213  3.0301  1.466663       4.270967 
1 1 1 6   22  13 o 13.877  2.8993  27.231    11.504    26.871    16.987    27.535    15.636    13.834  4.2089  13.920  3.9886  -0.8687115E-01 5.798598 
1 1 1 6   22  14 o 21.913  2.7310  70.572    15.047    44.952    21.365    95.784    21.194    17.554  4.5176  26.271  3.0698  -8.717688      5.461957 
1 1 1 6   22  15 o 12.698  2.9852  21.809    11.920    19.019    17.055    24.473    16.666    12.163  4.2507  13.233  4.1924  -1.069927      5.970321 
1 1 1 6   22  16 o 61.808  2.2252  528.887   36.745    511.864   52.215    545.588   51.720    60.738  3.2211  62.878  3.0709  -2.139843      4.450394 
1 1 1 6   22  17 o 25.644  2.6531  95.244    17.151    122.281   24.532    69.392    23.988    29.546  3.1483  21.743  4.2713  7.803270       5.306240 
1 1 1 6   22  18 o 23.182  2.6676  77.808    15.859    91.232    22.649    64.899    22.212    25.330  3.4263  21.035  4.0896  4.294453       5.335181 
1 1 1 6   22  19 o 18.655  3.0000  51.783    14.651    50.363    20.540    53.254    20.902    18.385  4.2553  18.924  4.2300  -0.5390739     6.000087 
1 1 1 6   22  20 o 8.4007  2.5878  -2.7395   11.193    -10.0511  15.820    4.5876    15.837    7.4919  3.4432  9.3094  3.8641  -1.817513      5.175570 
1 1 1 6   22  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   22  22 o 23.443  2.7756  81.410    16.802    85.515    23.908    77.403    23.618    24.088  3.8341  22.798  4.0144  1.290401       5.551223 
1 1 1 6   22  23 o 28.575  2.7935  124.406   19.994    92.031    28.730    154.813   27.843    24.354  4.5722  32.796  3.2108  -8.442423      5.586970 
1 1 1 6   23  0  f 77.155  2.1233  803.453   43.876    788.151   61.611    819.200   62.499    76.409  3.0104  77.902  2.9953  -1.493584      4.246673 
1 1 1 6   23  1  o 40.615  1.9034  223.534   20.575    229.388   28.839    217.467   29.363    41.169  2.6290  40.060  2.7532  1.109280       3.806798 
1 1 1 6   23  2  o 40.265  1.9556  220.521   20.847    246.117   29.502    194.992   29.463    42.646  2.5951  37.883  2.9263  4.762932       3.911216 
1 1 1 6   23  3  o 37.142  1.9374  187.201   19.133    185.906   26.717    188.564   27.412    37.014  2.7138  37.270  2.7656  -0.2555771     3.874700 
1 1 1 6   23  4  o 36.041  1.9860  176.644   19.006    183.830   26.857    169.434   26.902    36.792  2.7450  35.290  2.8709  1.501762       3.972074 
1 1 1 6   23  5  o 98.929  2.4932  1330.63   66.061    1341.26   93.177    1319.90   93.675    99.336  3.5020  98.522  3.5498  0.8141403      4.986469 
1 1 1 6   23  6  o 31.129  2.0639  132.404   16.893    114.597   23.529    151.346   24.268    28.914  3.0858  33.344  2.7415  -4.429371      4.127730 
1 1 1 6   23  7  o 33.756  2.0749  155.609   18.569    151.943   26.244    159.284   26.277    33.347  2.9693  34.165  2.8988  -0.8176270     4.149719 
1 1 1 6   23  8  o 51.580  2.0518  362.181   28.216    347.122   39.803    377.393   40.004    50.483  2.9565  52.677  2.8458  -2.193821      4.103613 
1 1 1 6   23  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   23  10 o 46.506  2.0855  295.673   25.844    295.553   36.523    295.793   36.574    46.497  2.9478  46.515  2.9509  -0.1792908E-01 4.171004 
1 1 1 6   23  11 o 31.010  2.2635  133.980   18.228    109.212   25.719    158.975   25.836    27.982  3.5087  34.037  2.8605  -6.054743      4.526933 
1 1 1 6   23  12 f 12.764  2.9110  22.110    11.476    17.030    16.305    27.097    16.154    11.715  4.1509  13.813  4.0824  -2.098274      5.822023 
1 1 1 6   23  13 o 56.880  2.1921  446.073   33.270    442.615   47.133    449.507   46.969    56.650  3.1182  57.110  3.0819  -0.4596138     4.384264 
1 1 1 6   23  14 o 35.650  2.2414  177.205   21.033    200.650   29.958    154.413   29.537    38.081  2.9603  33.218  3.3662  4.863064       4.482764 
1 1 1 6   23  15 o 35.655  2.2547  177.521   21.303    181.458   30.288    173.667   29.967    36.058  3.1682  35.252  3.2089  0.8061180      4.509346 
1 1 1 6   23  16 o 35.649  2.3087  179.230   21.566    206.550   30.550    152.093   30.448    38.523  2.9840  32.776  3.5236  5.747715       4.617368 
1 1 1 6   23  17 o 41.098  2.2740  237.207   24.756    217.022   34.936    257.563   35.083    39.249  3.3555  42.948  3.0700  -3.698425      4.548005 
1 1 1 6   23  18 o 28.195  2.5137  113.861   18.498    107.894   26.646    119.413   25.701    27.384  3.7299  29.005  3.3710  -1.621582      5.027494 
1 1 1 6   23  19 o 11.948  5.4554  -13.5966  38.853    -13.5966  38.853    0.0000    0.0000    11.948  5.4554  ?       ?       ?              ?        
1 1 1 6   23  20 o 35.036  2.4465  175.610   22.632    187.072   32.612    164.962   31.433    36.181  3.4053  33.891  3.5137  2.289654       4.893059 
1 1 1 6   23  21 o 19.439  3.1871  58.409    16.288    64.229    23.468    53.001    22.623    20.440  4.4157  18.438  4.5969  2.001728       6.374144 
1 1 1 6   24  0  o 78.170  2.1600  826.732   45.221    825.409   63.496    828.093   64.419    78.111  3.0349  78.228  3.0744  -0.1166077     4.320014 
1 1 1 6   24  1  o 17.937  2.5197  45.264    11.671    53.581    16.730    37.379    16.290    19.622  3.3003  16.253  3.8084  3.368793       5.039496 
1 1 1 6   24  2  o 64.467  2.0528  562.313   35.443    563.116   49.756    561.486   50.500    64.519  2.8791  64.415  2.9269  0.1042099      4.105664 
1 1 1 6   24  3  o 48.248  1.9840  315.801   25.511    300.152   35.683    332.162   36.486    47.012  2.8472  49.483  2.7639  -2.470993      3.968048 
1 1 1 6   24  4  o 30.801  2.0638  129.558   16.734    146.614   24.130    113.754   23.228    32.799  2.7726  28.803  3.0576  3.996830       4.127499 
1 1 1 6   24  5  o 50.554  2.0303  347.705   27.367    355.661   38.499    339.578   38.910    51.154  2.8207  49.954  2.9208  1.199974       4.060499 
1 1 1 6   24  6  o 49.732  2.0444  336.799   27.102    323.510   38.066    350.461   38.594    48.723  2.9305  50.741  2.8513  -2.018414      4.088715 
1 1 1 6   24  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   24  8  o 80.481  2.3192  886.484   49.948    840.120   70.450    933.342   70.825    78.324  3.3581  82.639  3.1997  -4.315315      4.638471 
1 1 1 6   24  9  o 7.0953  2.2572  -6.0598   8.9934    -3.9573   13.090    -7.9394   12.377    7.4618  3.3051  6.7288  3.0750  0.7330370      4.514382 
1 1 1 6   24  10 o 23.723  2.5421  80.145    15.348    62.470    21.620    98.103    21.792    20.868  4.0137  26.577  3.1206  -5.709227      5.084105 
1 1 1 6   24  11 f 46.234  2.1262  294.574   26.181    287.095   36.857    302.193   37.197    45.628  3.0331  46.840  2.9804  -1.211979      4.252325 
1 1 1 6   24  12 o 45.845  2.1752  291.169   26.505    311.864   37.602    270.731   37.368    47.523  2.9689  44.167  3.1800  3.355576       4.350489 
1 1 1 6   24  13 o 27.571  2.4251  107.788   17.357    122.278   24.548    93.301    24.546    29.566  3.1483  25.577  3.6897  3.989361       4.850277 
1 1 1 6   24  14 o 20.812  2.7770  63.637    14.824    49.252    20.945    78.074    20.982    18.209  4.3535  23.415  3.4488  -5.206688      5.554038 
1 1 1 6   24  15 o 13.218  3.0577  24.735    12.467    23.379    18.424    25.881    16.931    13.017  4.4234  13.419  4.2227  -0.4022369     6.115308 
1 1 1 6   24  16 o 14.252  3.0469  28.468    13.669    44.551    19.332    12.391    19.329    17.293  4.2126  11.210  4.4032  6.082495       6.093783 
1 1 1 6   24  17 o 17.842  2.8715  45.954    15.293    11.219    20.955    85.542    22.371    11.282  4.5339  24.402  3.5249  -13.12023      5.742907 
1 1 1 6   24  18 o 22.959  3.9924  77.764    23.660    0.0000    0.0000    77.764    23.660    ?       ?       22.959  3.9924  ?              ?        
1 1 1 6   24  19 o 13.013  3.1939  24.052    13.658    26.810    19.018    21.115    19.627    13.511  4.4938  12.515  4.5397  0.9959822      6.387708 
1 1 1 6   25  0  f 57.540  2.0207  448.774   31.052    422.622   43.596    475.705   44.240    55.785  2.9280  59.295  2.7855  -3.509792      4.041308 
1 1 1 6   25  1  o 27.996  2.1231  107.860   15.588    117.778   21.872    97.623    22.222    29.362  2.8156  26.630  3.1783  2.732115       4.246106 
1 1 1 6   25  2  o 63.965  2.0781  554.916   35.599    543.159   49.924    567.077   50.777    63.274  2.9457  64.656  2.9320  -1.381985      4.156222 
1 1 1 6   25  3  o 69.952  2.1452  665.113   40.188    667.499   56.417    662.655   57.263    70.089  3.0052  69.815  3.0622  0.2739944      4.290471 
1 1 1 6   25  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   25  5  o 41.278  2.0245  233.031   22.195    215.025   31.257    251.342   31.522    39.631  2.9661  42.925  2.7562  -3.293957      4.048971 
1 1 1 6   25  6  o 35.840  2.0810  176.401   19.773    166.410   27.958    186.401   27.970    34.791  3.0304  36.888  2.8530  -2.096775      4.162076 
1 1 1 6   25  7  o 66.552  2.1839  606.537   38.900    578.990   54.959    634.193   55.067    65.005  3.1565  68.099  3.0190  -3.093903      4.367815 
1 1 1 6   25  8  o 33.089  2.2353  152.146   19.462    136.284   27.625    167.777   27.423    31.291  3.3480  34.887  2.9627  -3.595943      4.470641 
1 1 1 6   25  9  o 20.107  2.7130  59.090    13.970    77.831    19.807    40.540    19.706    23.564  3.2227  16.650  4.3652  6.914038       5.425948 
1 1 1 6   25  10 o 25.443  2.4130  91.887    15.876    102.196   22.119    80.932    22.801    27.054  3.1089  23.833  3.6911  3.220839       4.825942 
1 1 1 6   25  11 o 43.604  2.1874  264.375   25.359    276.004   35.825    252.695   35.901    44.609  3.0160  42.599  3.1691  2.009460       4.374897 
1 1 1 6   25  12 o 56.236  2.2272  440.502   33.371    414.620   47.025    466.761   47.366    54.507  3.2354  57.964  3.0617  -3.456512      4.454434 
1 1 1 6   25  13 o 27.000  2.5629  104.757   17.849    88.877    25.278    120.551   25.208    24.767  3.9427  29.234  3.2756  -4.467487      5.125837 
1 1 1 6   25  14 o 21.570  2.8499  70.025    15.663    103.762   22.519    38.409    21.800    27.127  3.1585  16.014  4.7448  11.11332       5.699891 
1 1 1 6   25  15 o 32.927  2.4286  153.839   21.057    166.922   30.276    141.581   29.304    34.348  3.3328  31.507  3.5333  2.840654       4.857180 
1 1 1 6   25  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   25  17 o 7.3925  2.4281  -12.8784  11.672    -7.5268   16.210    -18.6399  16.819    7.8134  3.5506  6.9716  3.3130  0.8418250      4.856197 
1 1 1 6   25  18 o 22.882  3.0763  81.375    18.011    52.811    25.148    111.456   25.807    18.160  5.0079  27.604  3.5743  -9.443933      6.152598 
1 1 1 6   26  0  o 19.083  4.4626  52.305    22.403    52.305    22.403    0.0000    0.0000    19.083  4.4626  ?       ?       ?              ?        
1 1 1 6   26  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   26  2  o 26.525  2.2124  97.371    15.380    103.640   21.699    91.041    21.803    27.427  3.0027  25.623  3.2500  1.804386       4.424774 
1 1 1 6   26  3  o 36.985  2.0619  187.620   20.246    194.188   28.530    180.956   28.736    37.660  2.8494  36.309  2.9810  1.350769       4.123779 
1 1 1 6   26  4  o 34.655  2.1389  165.326   19.652    161.565   27.700    169.137   27.885    34.248  3.0516  35.063  2.9979  -0.8155632     4.277826 
1 1 1 6   26  5  o 11.022  2.7987  13.716    10.931    21.144    15.219    5.8012    15.710    12.441  4.0131  9.6028  3.9021  2.837894       5.597459 
1 1 1 6   26  6  o 43.757  2.0973  263.760   24.412    276.770   34.544    250.781   34.503    44.870  2.8896  42.644  3.0406  2.226276       4.194647 
1 1 1 6   26  7  o 35.474  2.1817  174.612   20.479    187.307   29.049    162.069   28.875    36.809  2.9717  34.139  3.1950  2.669975       4.363408 
1 1 1 6   26  8  o 33.795  2.2227  158.959   19.868    168.627   28.497    149.815   27.714    34.825  3.0870  32.765  3.1987  2.059155       4.445398 
1 1 1 6   26  9  o 39.094  2.1838  212.692   22.679    209.645   31.879    215.815   32.271    38.807  3.0926  39.382  3.0840  -0.5742188     4.367517 
1 1 1 6   26  10 o 41.309  2.2251  238.316   24.407    250.481   34.547    226.192   34.487    42.412  3.0617  40.206  3.2297  2.205700       4.450271 
1 1 1 6   26  11 o 61.561  2.2686  529.365   37.272    535.972   52.532    522.668   52.892    61.974  3.1753  61.147  3.2410  0.8271065      4.537253 
1 1 1 6   26  12 o 33.713  2.3734  160.647   21.121    167.899   29.788    153.314   29.953    34.534  3.2589  32.891  3.4514  1.642624       4.746824 
1 1 1 6   26  13 o 14.669  3.1050  31.792    13.748    42.461    18.839    19.637    20.107    16.865  4.1893  12.472  4.5841  4.392749       6.210008 
1 1 1 6   26  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   26  15 o 17.111  3.2002  45.440    15.679    62.196    21.737    27.270    22.636    20.367  4.1260  13.854  4.8929  6.512469       6.400322 
1 1 1 6   26  16 o 41.575  2.4177  248.976   26.682    252.720   37.886    245.292   37.586    41.899  3.4053  41.252  3.4328  0.6462975      4.835325 
1 1 1 6   27  0  o 37.913  2.0852  197.134   20.982    184.729   29.357    210.088   29.999    36.666  3.0159  39.159  2.8803  -2.492760      4.170389 
1 1 1 6   27  1  o 38.034  2.0633  198.495   20.839    187.469   29.115    210.080   29.842    36.929  2.9685  39.139  2.8665  -2.209316      4.126627 
1 1 1 6   27  2  o 30.039  2.1538  124.707   17.076    118.520   23.835    131.230   24.477    29.254  3.0886  30.825  3.0027  -1.570604      4.307611 
1 1 1 6   27  3  o 35.213  2.1197  171.445   19.750    184.225   27.897    158.604   27.964    36.583  2.8701  33.843  3.1200  2.739605       4.239343 
1 1 1 6   27  4  o 20.634  2.5881  60.819    13.768    61.514    19.111    60.068    19.851    20.792  3.5596  20.476  3.7579  0.3157749      5.176136 
1 1 1 6   27  5  o 50.463  2.0886  351.543   28.090    336.368   39.538    367.007   39.913    49.334  3.0065  51.593  2.9000  -2.259888      4.177237 
1 1 1 6   27  6  f 15.229  2.8721  33.944    11.943    31.984    16.881    35.908    16.900    14.798  4.1115  15.659  4.0113  -0.8613071     5.744163 
1 1 1 6   27  7  o 34.083  2.2268  162.563   20.023    147.300   28.176    178.134   28.460    32.387  3.2940  35.780  2.9973  -3.393082      4.453515 
1 1 1 6   27  8  o 36.931  2.2540  191.505   21.985    207.424   30.862    175.105   31.326    38.590  3.0096  35.272  3.3562  3.318192       4.507970 
1 1 1 6   27  9  o 30.956  2.3658  135.464   19.283    140.331   27.102    130.474   27.443    31.569  3.2517  30.343  3.4372  1.225613       4.731596 
1 1 1 6   27  10 o 15.523  2.8887  34.048    13.682    11.119    18.991    58.791    19.728    10.963  4.3458  20.083  3.8068  -9.119897      5.777388 
1 1 1 6   27  11 o 16.894  4.5620  43.114    21.127    43.114    21.127    0.0000    0.0000    16.894  4.5620  ?       ?       ?              ?        
1 1 1 6   27  12 o 8.9891  3.8973  -0.2143   17.351    0.0000    0.0000    -0.2143   17.351    ?       ?       8.9891  3.8973  ?              ?        
1 1 1 6   27  13 o 25.610  2.8282  97.721    18.195    68.925    25.283    128.656   26.206    21.227  4.5813  29.993  3.3175  -8.766376      5.656303 
1 1 1 6   27  14 o 11.309  3.0711  14.406    13.269    20.488    18.861    8.4449    18.672    12.287  4.4513  10.332  4.2325  1.955391       6.142272 
1 1 1 6   28  0  f 22.121  2.5166  69.487    14.370    72.335    19.923    66.398    20.747    22.659  3.3866  21.583  3.7235  1.076189       5.033228 
1 1 1 6   28  1  o 18.608  2.8098  50.672    13.619    60.905    19.095    40.077    19.430    20.673  3.5781  16.542  4.3333  4.130630       5.619634 
1 1 1 6   28  2  o 29.918  2.2114  125.295   17.345    138.679   24.405    111.634   24.656    31.632  2.9133  28.205  3.3277  3.426998       4.422767 
1 1 1 6   28  3  o 35.776  2.1222  177.747   20.147    175.980   28.284    179.566   28.704    35.598  2.9942  35.955  3.0082  -0.3572350     4.244349 
1 1 1 6   28  4  o 18.950  2.8031  52.967    13.745    59.048    18.825    46.023    20.115    20.268  3.5994  17.632  4.2982  2.635895       5.606249 
1 1 1 6   28  5  o 28.550  2.3949  115.215   17.948    114.911   24.999    115.538   25.784    28.533  3.3340  28.566  3.4390  -0.3318787E-01 4.789770 
1 1 1 6   28  6  o 22.580  2.6830  73.679    15.620    66.748    21.764    81.041    22.431    21.400  3.9423  23.761  3.6404  -2.360886      5.366064 
1 1 1 6   28  7  o 40.964  2.2046  234.798   23.996    241.992   33.878    227.555   33.991    41.629  3.0598  40.299  3.1748  1.330006       4.409298 
1 1 1 6   28  8  f 65.783  2.2954  605.035   40.444    609.250   57.176    600.815   57.216    66.024  3.2331  65.543  3.2591  0.4807892      4.590771 
1 1 1 6   28  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   28  10 o 10.007  2.7687  4.1839    12.243    21.423    17.113    -13.8912  17.524    12.427  4.2628  7.5866  3.5342  4.840922       5.537314 
1 1 1 6   28  11 o 12.632  3.1331  20.639    13.866    32.578    19.491    8.4036    19.731    14.685  4.5160  10.578  4.3442  4.106821       6.266250 
1 1 1 6   28  12 o 23.964  2.9412  86.522    17.938    64.151    24.640    111.750   26.165    20.288  4.6356  27.641  3.6213  -7.352251      5.882380 
1 1 1 6   29  0  o 46.464  2.1244  299.949   26.215    324.839   37.014    274.899   37.133    48.481  2.8631  44.446  3.1393  4.035137       4.248837 
1 1 1 6   29  1  o 35.539  2.2347  177.077   20.968    189.483   29.288    164.032   30.033    36.907  2.9884  34.171  3.3234  2.735294       4.469411 
1 1 1 6   29  2  o 23.140  2.6426  77.107    15.805    77.270    21.894    76.929    22.840    23.205  3.6425  23.076  3.8296  0.1295395      5.285194 
1 1 1 6   29  3  o 11.909  2.9367  18.783    11.514    20.058    15.682    17.292    16.960    12.111  4.0811  11.707  4.2241  0.4042330      5.873500 
1 1 1 6   29  4  o 27.441  2.5655  109.537   17.803    135.708   25.001    82.619    25.356    31.127  3.0374  23.754  4.1354  7.372553       5.131004 
1 1 1 6   29  5  o 23.644  2.6943  80.861    16.468    76.150    22.861    85.942    23.743    22.890  3.8664  24.398  3.7534  -1.508438      5.388583 
1 1 1 6   29  6  o 12.534  4.4293  20.978    18.553    20.978    18.553    0.0000    0.0000    12.534  4.4293  ?       ?       ?              ?        
1 1 1 6   29  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   29  8  o 25.157  2.6718  92.231    17.425    86.196    24.247    98.676    25.058    24.248  3.8628  26.066  3.6922  -1.818521      5.343590 
1 1 1 6   29  9  o 33.838  2.3949  164.383   21.406    167.304   30.092    161.391   30.456    34.182  3.3290  33.494  3.4440  0.6889153      4.789871 
1 1 1 6   29  10 o 24.975  2.8290  93.498    18.259    98.235    25.684    88.658    25.962    25.723  3.8458  24.227  4.1501  1.495893       5.658051 
1 1 1 6   30  0  o 22.378  2.6300  71.920    15.105    59.730    20.602    86.092    22.213    20.197  3.9497  24.558  3.4739  -4.360523      5.260022 
1 1 1 6   30  1  o 16.984  2.9622  41.392    14.095    22.413    18.938    64.964    21.105    12.863  4.4801  21.105  3.8765  -8.241925      5.924415 
1 1 1 6   30  2  o 10.437  2.8007  9.6572    11.776    20.912    15.762    -4.5621   17.716    12.272  4.0915  8.6012  3.8257  3.670610       5.601457 
1 1 1 6   30  3  o 23.424  3.6246  79.151    22.006    79.151    22.006    0.0000    0.0000    23.424  3.6246  ?       ?       ?              ?        
1 1 1 6   30  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   30  5  o 10.744  2.8795  13.201    11.405    14.332    15.833    11.981    16.442    10.906  4.0567  10.582  4.0877  0.3244247      5.759024 
1 1 1 6   30  6  o 17.573  3.1530  48.081    15.080    57.052    20.510    37.525    22.248    19.508  4.0574  15.639  4.8274  3.868670       6.306056 
1 1 1 6   30  7  o 21.123  2.9880  68.503    16.752    31.580    22.859    111.338   24.621    14.492  4.9271  27.754  3.3819  -13.26162      5.976078 
1 1 1 6   31  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   31  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 6   31  2  f 17.968  3.1571  48.882    15.167    42.152    20.767    56.575    22.204    16.616  4.5381  19.320  4.3905  -2.704330      6.314297 
1 1 1 6   31  3  f 9.1996  2.7225  3.6701    11.475    9.2061    14.903    -4.3914   17.984    9.7866  3.8593  8.6127  3.8410  1.173890       5.444920 
1 1 1 6   31  4  o 33.469  2.4433  161.489   21.417    138.836   29.668    186.141   30.948    30.855  3.6612  36.082  3.2366  -5.226906      4.886696 
1 1 1 6   32  0  o 17.269  3.0070  47.345    14.550    64.276    19.603    26.573    21.713    20.915  3.6309  13.623  4.7942  7.291738       6.013941 
1 1 1 6   32  1  o 22.979  3.0421  81.813    17.834    95.846    24.391    65.695    26.141    25.546  3.6701  20.412  4.8526  5.134241       6.084153 
1 1 1 7   -37 10 o 26.020  2.9043  107.732   19.374    130.900   28.899    88.822    26.109    28.836  3.8369  23.204  4.3611  5.632252       5.808669 
1 1 1 7   -37 11 o 7.9923  2.6039  -6.8033   12.561    -12.6240  21.209    -3.6584   15.589    8.2050  3.8438  7.7796  3.5138  0.4254241      5.207817 
1 1 1 7   -37 12 o 13.625  3.0650  22.045    14.692    59.202    23.552    -1.6221   18.797    18.542  4.7278  8.7080  3.9020  9.833999       6.130069 
1 1 1 7   -37 13 o 29.769  2.7163  137.340   20.848    168.057   31.043    112.105   28.137    33.090  3.5584  26.448  4.1048  6.641571       5.432507 
1 1 1 7   -37 14 o 8.4246  2.6957  -9.1118   12.822    9.5113    21.167    -19.9071  16.116    10.376  4.3970  6.4730  3.1197  3.903179       5.391300 
1 1 1 7   -37 15 o 7.1412  2.4264  -18.2918  12.344    -15.7140  21.765    -19.5141  14.987    8.0906  3.8222  6.1918  2.9902  1.898783       4.852835 
1 1 1 7   -37 16 o 5.7898  2.8482  -27.7676  15.481    0.0000    0.0000    -27.7676  15.481    ?       ?       5.7898  2.8482  ?              ?        
1 1 1 7   -37 17 o 20.180  5.0704  72.646    27.373    0.0000    0.0000    72.646    27.373    ?       ?       20.180  5.0704  ?              ?        
1 1 1 7   -37 18 o 24.785  4.0732  99.285    26.101    0.0000    0.0000    99.285    26.101    ?       ?       24.785  4.0732  ?              ?        
1 1 1 7   -37 19 o 31.019  3.8480  152.770   31.285    0.0000    0.0000    152.770   31.285    ?       ?       31.019  3.8480  ?              ?        
1 1 1 7   -37 20 o 12.453  4.5730  25.629    20.004    0.0000    0.0000    25.629    20.004    ?       ?       12.453  4.5730  ?              ?        
1 1 1 7   -37 21 o 16.251  3.7653  50.137    18.675    57.330    29.182    45.147    24.304    16.971  5.5628  15.531  5.0760  1.440732       7.530646 
1 1 1 7   -37 22 f 10.170  3.1320  4.0699    16.190    21.988    25.126    -8.6524   21.172    11.984  4.9095  8.3567  3.8902  3.626862       6.263912 
1 1 1 7   -37 23 o 17.233  3.8400  59.304    19.886    69.486    29.274    50.580    27.098    18.593  5.4957  15.874  5.3646  2.718597       7.679973 
1 1 1 7   -37 24 o 15.363  3.4856  40.147    18.986    80.485    28.732    8.8809    25.296    20.344  5.2407  10.383  4.5970  9.960416       6.971213 
1 1 1 7   -36 4  o 22.368  2.9978  80.074    17.227    84.751    25.836    76.331    23.115    22.840  4.3826  21.897  4.0916  0.9431286      5.995660 
1 1 1 7   -36 5  o 9.3872  2.8273  3.3387    12.017    13.152    20.363    -1.9048   14.885    10.888  4.4355  7.8864  3.5073  3.001491       5.654631 
1 1 1 7   -36 6  o 7.4119  2.4585  -13.7069  11.197    -2.8256   19.981    -18.6881  13.519    8.9476  4.0152  5.8763  2.8383  3.071347       4.917093 
1 1 1 7   -36 7  o 10.107  3.9792  11.770    15.821    0.0000    0.0000    11.770    15.821    ?       ?       10.107  3.9792  ?              ?        
1 1 1 7   -36 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -36 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -36 10 o 21.379  4.7666  75.002    26.599    75.002    26.599    0.0000    0.0000    21.379  4.7666  ?       ?       ?              ?        
1 1 1 7   -36 11 o 10.171  3.0308  7.0906    13.841    11.036    21.907    4.4694    17.856    10.929  4.5413  9.4117  4.0150  1.517821       6.061602 
1 1 1 7   -36 12 o 26.745  2.8198  110.165   19.536    110.599   28.589    109.785   26.759    26.668  4.1363  26.823  3.8336  -0.1546688     5.639664 
1 1 1 7   -36 13 o 26.637  2.8672  108.907   19.103    150.144   28.382    74.756    25.829    31.824  3.3815  21.450  4.6314  10.37449       5.734453 
1 1 1 7   -36 14 f 9.3002  2.8842  1.1823    13.456    1.9344    21.659    0.7096    17.172    9.8119  4.3022  8.7884  3.8427  1.023500       5.768488 
1 1 1 7   -36 15 o 11.139  3.0903  11.183    13.301    28.522    22.572    1.9593    16.463    13.495  4.8725  8.7837  3.8023  4.710931       6.180514 
1 1 1 7   -36 16 o 14.315  3.4792  33.688    16.429    26.063    24.725    39.716    21.983    13.194  5.0338  15.435  4.8043  -2.240566      6.958467 
1 1 1 7   -36 17 o 25.780  2.9181  103.709   19.194    128.472   28.077    81.984    26.298    29.072  3.6887  22.488  4.5226  6.583427       5.836183 
1 1 1 7   -36 18 o 14.509  3.4355  33.370    15.876    46.856    24.389    23.452    20.915    16.499  5.0479  12.519  4.6614  3.980404       6.870923 
1 1 1 7   -36 19 o 22.317  3.4207  83.081    19.907    99.481    29.124    68.699    27.273    24.687  4.5730  19.947  5.0884  4.739758       6.841326 
1 1 1 7   -36 20 o 30.618  2.8588  147.076   22.858    148.147   32.926    146.079   31.758    30.650  4.1146  30.587  3.9700  0.6285667E-01  5.717626 
1 1 1 7   -36 21 o 9.5433  2.9668  -4.9730   14.569    18.338    24.326    -18.0111  18.193    11.921  4.8511  7.1662  3.4168  4.754365       5.933566 
1 1 1 7   -36 22 o 12.881  3.3193  24.253    17.016    -1.4223   26.219    42.937    22.366    10.046  4.5455  15.715  4.8384  -5.668676      6.638685 
1 1 1 7   -36 23 o 15.102  3.0752  24.184    17.735    82.912    27.261    -18.9121  23.353    22.019  4.7610  8.1847  3.8937  13.83457       6.150410 
1 1 1 7   -36 24 o 16.270  3.5191  43.019    18.759    80.047    28.837    15.852    24.700    21.082  5.1508  11.458  4.7965  9.624166       7.038263 
1 1 1 7   -36 25 o 8.7718  4.1282  -13.3009  24.951    -13.3009  24.951    0.0000    0.0000    8.7718  4.1282  ?       ?       ?              ?        
1 1 1 7   -36 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -36 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -36 28 o 14.674  5.4271  44.660    28.256    0.0000    0.0000    44.660    28.256    ?       ?       14.674  5.4271  ?              ?        
1 1 1 7   -36 29 o 11.207  3.2856  17.642    17.331    -0.3615   25.991    32.056    23.255    9.5176  4.3885  12.897  4.8910  -3.379098      6.571249 
1 1 1 7   -35 0  o 24.444  2.8715  95.017    17.784    77.868    26.057    109.970   24.332    21.813  4.6045  27.075  3.4322  -5.262323      5.742915 
1 1 1 7   -35 1  o 38.556  2.3650  219.341   24.166    225.240   34.956    213.941   33.446    39.019  3.3780  38.093  3.3109  0.9261360      4.729995 
1 1 1 7   -35 2  o 13.196  2.6494  10.351    13.088    61.004    21.535    -19.3217  16.482    19.680  4.2125  6.7121  3.2144  12.96757       5.298839 
1 1 1 7   -35 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -35 4  o 27.557  4.1607  116.634   29.754    116.634   29.754    0.0000    0.0000    27.557  4.1607  ?       ?       ?              ?        
1 1 1 7   -35 5  o 7.9142  2.4384  -14.8497  10.192    14.481    17.594    -29.6655  12.504    10.945  4.2283  4.8836  2.4299  6.061198       4.876771 
1 1 1 7   -35 6  o 38.035  2.4194  212.687   24.198    194.493   35.110    229.147   33.395    36.232  3.6684  39.838  3.1555  -3.605865      4.838872 
1 1 1 7   -35 7  o 18.604  3.0639  58.309    16.127    26.509    24.398    82.984    21.491    13.525  5.0348  23.683  3.4928  -10.15817      6.127739 
1 1 1 7   -35 8  o 26.077  2.7439  102.033   18.531    106.458   27.432    98.319    25.131    26.529  3.9836  25.626  3.7745  0.9028282      5.487820 
1 1 1 7   -35 9  o 20.324  2.9516  61.960    15.536    88.382    23.923    42.688    20.430    24.255  3.8076  16.392  4.5111  7.862911       5.903252 
1 1 1 7   -35 10 f 33.359  2.4388  162.964   21.437    164.914   31.320    161.245   29.403    33.465  3.5482  33.252  3.3467  0.2135925      4.877573 
1 1 1 7   -35 11 o 26.455  2.9383  111.379   19.069    74.049    27.900    144.105   26.123    21.339  4.9734  31.572  3.1304  -10.23347      5.876522 
1 1 1 7   -35 12 o 31.994  2.5016  150.791   21.061    156.667   30.571    145.483   29.056    32.571  3.5623  31.417  3.5131  1.154276       5.003141 
1 1 1 7   -35 13 o 27.094  2.7574  110.497   19.053    138.068   27.845    86.224    26.127    30.627  3.4547  23.560  4.2986  7.066839       5.514747 
1 1 1 7   -35 14 o 17.595  3.2353  48.257    15.315    61.169    23.903    39.266    19.947    19.514  4.6409  15.677  4.5089  3.837160       6.470553 
1 1 1 7   -35 15 o 24.440  2.9651  91.834    18.658    103.002   27.511    82.323    25.389    25.902  4.1021  22.979  4.2827  2.923414       5.930273 
1 1 1 7   -35 16 o 25.047  2.7795  95.452    17.954    97.537    26.741    93.741    24.226    25.162  4.1096  24.931  3.7436  0.2315826      5.559088 
1 1 1 7   -35 17 o 12.787  3.1502  24.256    14.197    9.5140    22.051    34.692    18.554    10.817  4.5305  14.756  4.3784  -3.938972      6.300447 
1 1 1 7   -35 18 f 18.260  3.3148  56.338    16.756    40.401    25.483    68.477    22.240    15.562  5.2026  20.957  4.1090  -5.394265      6.629572 
1 1 1 7   -35 19 o 20.995  3.2643  70.556    17.911    88.516    26.704    55.870    24.148    23.645  4.3778  18.344  4.8432  5.300365       6.528526 
1 1 1 7   -35 20 o 10.621  3.0970  9.6363    14.786    -2.2227   22.877    18.144    19.377    9.6165  4.3072  11.625  4.4511  -2.008185      6.193915 
1 1 1 7   -35 21 o 29.886  2.8029  137.395   21.812    150.777   31.470    125.023   30.259    31.435  3.8159  28.336  4.1064  3.098433       5.605708 
1 1 1 7   -35 22 o 13.398  3.4173  28.028    16.350    16.254    24.669    37.252    21.834    11.845  4.8601  14.950  4.8052  -3.104882      6.834553 
1 1 1 7   -35 23 o 10.057  2.8859  0.3655    15.083    -39.0384  24.134    25.621    19.321    7.3121  3.5888  12.801  4.5205  -5.489244      5.771846 
1 1 1 7   -35 24 o 10.475  3.1552  8.5149    15.338    7.0348    24.426    9.4785    19.708    10.676  4.6263  10.275  4.2915  0.4003420      6.310307 
1 1 1 7   -35 25 o 9.3768  2.9732  -1.0675   15.343    -4.5600   23.980    1.3533    19.964    9.4516  4.3041  9.3021  4.1029  0.1495361      5.946335 
1 1 1 7   -35 26 o 12.164  3.3353  18.229    17.235    -3.8250   25.221    37.550    23.606    9.6710  4.4079  14.656  5.0068  -4.985203      6.670623 
1 1 1 7   -35 27 o 13.476  3.6287  30.731    18.391    23.975    27.531    36.176    24.715    12.664  5.1581  14.289  5.1055  -1.624415      7.257497 
1 1 1 7   -35 28 o 25.200  3.3951  110.456   21.959    137.186   31.559    85.366    30.575    28.943  4.1930  21.457  5.3411  7.486053       6.790300 
1 1 1 7   -35 29 o 12.747  3.3836  24.255    18.020    -3.1196   26.907    46.516    24.264    9.7567  4.4864  15.737  5.0664  -5.980551      6.767283 
1 1 1 7   -35 30 o 13.317  5.4437  32.962    30.804    32.962    30.804    0.0000    0.0000    13.317  5.4437  ?       ?       ?              ?        
1 1 1 7   -35 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -35 32 o 13.025  3.7004  31.717    19.698    51.673    31.143    18.410    25.431    14.943  5.6617  11.108  4.7663  3.835015       7.400854 
1 1 1 7   -34 0  o 7.9767  3.7344  -15.1794  19.962    -15.1794  19.962    0.0000    0.0000    7.9767  3.7344  ?       ?       ?              ?        
1 1 1 7   -34 1  o 8.4943  2.6384  -3.9703   12.267    -19.0606  18.909    6.9948    16.118    7.4308  3.5258  9.5579  3.9259  -2.127109      5.276730 
1 1 1 7   -34 2  o 9.5093  2.7567  5.2879    11.913    -8.7080   19.037    14.297    15.273    8.3450  3.8136  10.674  3.9816  -2.328590      5.513317 
1 1 1 7   -34 3  o 12.848  3.2053  22.064    13.815    33.081    21.490    14.305    18.034    14.624  4.7728  11.072  4.2799  3.552481       6.410697 
1 1 1 7   -34 4  o 12.063  3.0694  19.336    12.532    25.055    19.585    15.371    16.306    13.100  4.5564  11.026  4.1139  2.073748       6.138832 
1 1 1 7   -34 5  o 26.313  2.5861  102.063   17.668    102.236   26.069    101.916   24.028    26.226  3.8236  26.400  3.4830  -0.1745300     5.172156 
1 1 1 7   -34 6  o 24.822  2.7577  92.925    17.514    83.416    25.846    100.998   23.815    23.355  4.2898  26.289  3.4667  -2.934103      5.515489 
1 1 1 7   -34 7  o 30.818  2.4592  137.543   19.797    159.803   29.115    118.400   26.999    33.257  3.3125  28.378  3.6355  4.878773       4.918338 
1 1 1 7   -34 8  o 11.713  2.9923  18.450    12.551    7.5202    20.238    25.280    15.999    10.437  4.3531  12.989  4.1069  -2.552246      5.984622 
1 1 1 7   -34 9  o 32.658  2.3328  154.357   20.038    149.795   29.364    158.334   27.412    32.075  3.4733  33.240  3.1152  -1.165020      4.665668 
1 1 1 7   -34 10 o 22.830  2.9065  78.146    17.040    91.573    25.558    67.400    22.864    24.680  4.0034  20.981  4.2147  3.698687       5.813055 
1 1 1 7   -34 11 o 37.117  2.3518  200.040   22.946    178.319   32.926    220.549   31.995    34.933  3.5691  39.300  3.0637  -4.367168      4.703676 
1 1 1 7   -34 12 o 12.739  3.0549  23.945    12.813    14.967    20.075    30.117    16.645    11.449  4.4905  14.029  4.1432  -2.580107      6.109875 
1 1 1 7   -34 13 o 50.093  2.2395  360.082   29.821    335.600   42.362    384.131   41.985    48.262  3.2968  51.925  3.0320  -3.662880      4.479022 
1 1 1 7   -34 14 o 44.761  2.2432  287.428   26.711    297.182   38.194    278.089   37.371    45.526  3.1515  43.996  3.1930  1.530735       4.486381 
1 1 1 7   -34 15 o 11.791  2.8459  8.1693    13.128    42.067    20.645    -14.8458  17.011    16.314  4.5519  7.2687  3.4170  9.044903       5.691737 
1 1 1 7   -34 16 o 14.930  3.2911  34.668    14.533    39.644    21.854    30.722    19.460    15.766  4.7687  14.095  4.5372  1.671773       6.582285 
1 1 1 7   -34 17 o 12.301  3.2506  20.419    14.613    14.246    21.899    25.373    19.619    11.527  4.6341  13.074  4.5597  -1.546885      6.501154 
1 1 1 7   -34 18 o 23.430  3.0041  85.315    18.067    75.966    26.106    93.910    25.029    21.905  4.5961  24.956  3.8698  -3.051077      6.008236 
1 1 1 7   -34 19 o 12.297  3.2029  19.395    13.941    30.570    21.816    11.682    18.124    14.023  4.8128  10.570  4.2276  3.452283       6.405882 
1 1 1 7   -34 20 o 35.203  2.4877  183.247   23.113    177.518   33.053    188.730   32.332    34.562  3.6244  35.844  3.4087  -1.282513      4.975472 
1 1 1 7   -34 21 o 31.018  2.6333  144.345   21.427    146.884   30.920    142.000   29.721    31.241  3.7715  30.795  3.6759  0.4459801      5.266528 
1 1 1 7   -34 22 o 29.876  2.7306  135.705   21.305    133.309   30.727    137.924   29.565    29.503  3.9909  30.249  3.7280  -0.7460213     5.461252 
1 1 1 7   -34 23 f 15.903  3.5328  42.193    16.656    44.516    25.398    40.440    22.063    16.181  5.1807  15.626  4.8046  0.5550909      7.065689 
1 1 1 7   -34 24 o 31.909  2.7556  155.851   22.139    205.490   32.321    111.978   30.386    37.327  3.2656  26.490  4.4396  10.83682       5.511252 
1 1 1 7   -34 25 o 8.3509  2.7293  -10.4633  14.428    -16.0832  20.480    -4.9258   20.329    7.8942  3.7227  8.8076  3.9922  -0.9134326     5.458615 
1 1 1 7   -34 26 o 20.283  3.3848  71.891    19.390    38.469    27.827    103.431   27.033    14.930  5.4071  25.636  4.0731  -10.70616      6.769528 
1 1 1 7   -34 27 o 26.663  3.1507  115.549   21.175    153.074   30.835    82.063    29.129    31.550  3.7204  21.777  5.0860  9.773163       6.301498 
1 1 1 7   -34 28 o 21.342  3.6188  80.147    20.374    77.047    30.498    82.646    27.379    20.587  5.4466  22.096  4.7661  -1.509394      7.237502 
1 1 1 7   -34 29 o 27.669  3.1993  126.688   22.850    130.484   33.474    123.375   31.269    27.932  4.6367  27.406  4.4094  0.5265999      6.398580 
1 1 1 7   -34 30 o 10.661  2.9288  -1.5726   16.329    -53.3064  24.913    37.395    21.621    6.7573  3.3730  14.564  4.7890  -7.806977      5.857583 
1 1 1 7   -34 31 o 10.864  3.1743  8.1878    17.191    -20.5969  25.844    31.032    23.023    8.4290  4.0335  13.298  4.9026  -4.869387      6.348597 
1 1 1 7   -34 32 o 26.454  3.3611  122.243   22.773    136.109   34.868    111.929   30.072    27.568  4.9018  25.340  4.6002  2.228241       6.722266 
1 1 1 7   -34 33 o 21.541  5.7410  96.380    33.724    96.380    33.724    0.0000    0.0000    21.541  5.7410  ?       ?       ?              ?        
1 1 1 7   -34 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -34 35 o 9.6555  3.0943  6.4792    17.254    5.1913    25.366    7.5883    23.538    9.6423  4.4048  9.6687  4.3469  -0.2642155E-01 6.188521 
1 1 1 7   -33 0  o 13.226  3.1442  25.738    13.315    20.629    19.755    29.991    18.024    12.390  4.5453  14.063  4.3457  -1.672085      6.288490 
1 1 1 7   -33 1  o 27.714  2.5170  112.482   18.122    102.646   26.132    121.595   25.153    26.368  3.8106  29.061  3.2893  -2.693079      5.033951 
1 1 1 7   -33 2  o 16.286  3.0685  41.937    14.084    28.537    21.281    52.381    18.788    13.890  4.7537  18.682  3.8814  -4.792132      6.137046 
1 1 1 7   -33 3  o 7.4480  2.4264  -9.6907   10.794    -6.5022   17.618    -11.6070  13.658    8.2644  3.7339  6.6317  3.0996  1.632731       4.852791 
1 1 1 7   -33 4  o 10.585  2.9138  11.069    11.792    17.610    18.508    6.6003    15.298    11.767  4.3842  9.4038  3.8393  2.362827       5.827633 
1 1 1 7   -33 5  o 19.319  2.8948  56.269    14.495    58.260    21.149    54.507    19.905    19.618  4.1543  19.020  4.0324  0.5979347      5.789504 
1 1 1 7   -33 6  o 38.882  2.2178  214.955   22.865    210.294   32.987    219.266   31.722    38.402  3.2372  39.362  3.0322  -0.9603081     4.435513 
1 1 1 7   -33 7  o 13.740  2.9332  21.858    12.708    50.042    21.042    5.6777    15.943    18.066  4.3913  9.4147  3.8899  8.651551       5.866363 
1 1 1 7   -33 8  o 48.355  2.1780  330.021   28.042    343.851   40.571    317.370   38.802    49.321  3.0866  47.388  3.0736  1.933090       4.355929 
1 1 1 7   -33 9  o 13.941  3.1965  29.199    14.024    19.547    22.025    35.781    18.187    12.536  4.7585  15.345  4.2691  -2.808826      6.392915 
1 1 1 7   -33 10 o 48.582  2.1868  333.413   28.306    336.345   40.345    330.570   39.723    48.784  3.1038  48.380  3.0815  0.4039230      4.373648 
1 1 1 7   -33 11 o 17.962  3.0978  49.639    14.709    46.210    22.431    52.225    19.482    17.264  4.7168  18.659  4.0171  -1.394333      6.195610 
1 1 1 7   -33 12 o 47.130  2.1975  314.038   27.578    311.152   39.314    316.834   38.697    46.883  3.1489  47.377  3.0659  -0.4938278     4.394958 
1 1 1 7   -33 13 o 29.457  2.6805  127.579   19.553    176.557   28.529    84.192    26.852    35.327  3.0448  23.587  4.4124  11.73948       5.360978 
1 1 1 7   -33 14 o 23.541  2.9130  82.623    17.360    113.861   25.582    55.958    23.635    28.080  3.4755  19.001  4.6757  9.078880       5.825944 
1 1 1 7   -33 15 f 39.499  2.2446  221.616   23.537    230.477   33.668    213.146   32.917    40.296  3.1443  38.701  3.2043  1.594582       4.489295 
1 1 1 7   -33 16 o 32.981  2.4461  156.705   21.266    165.757   30.484    148.124   29.681    33.957  3.3972  32.006  3.5204  1.951447       4.892296 
1 1 1 7   -33 17 o 24.386  2.8620  88.786    18.012    89.185    26.206    88.428    24.798    24.368  4.1647  24.405  3.9268  -0.3701019E-01 5.724046 
1 1 1 7   -33 18 o 14.583  2.6775  18.870    14.368    70.059    22.274    -17.6074  18.803    21.608  3.9958  7.5580  3.5651  14.04963       5.355013 
1 1 1 7   -33 19 o 39.474  2.3222  223.716   24.326    228.043   34.789    219.577   34.027    39.845  3.2891  39.102  3.2791  0.7427292      4.644453 
1 1 1 7   -33 20 o 21.657  3.1818  76.040    17.999    46.938    26.305    101.659   24.681    17.017  5.2486  26.296  3.5985  -9.279860      6.363669 
1 1 1 7   -33 21 o 12.287  3.2190  19.319    14.104    27.760    21.551    12.995    18.654    13.644  4.7777  10.929  4.3152  2.714983       6.437982 
1 1 1 7   -33 22 o 9.8677  2.9741  3.2583    13.725    10.866    21.355    -2.0970   17.916    10.998  4.5183  8.7373  3.8685  2.260902       5.948159 
1 1 1 7   -33 23 o 15.568  3.4697  38.924    16.122    42.630    23.923    35.841    21.821    16.154  5.0091  14.982  4.8025  1.171964       6.939395 
1 1 1 7   -33 24 o 25.840  2.9422  102.911   19.575    116.376   28.120    90.250    27.267    27.708  3.8967  23.972  4.4092  3.736343       5.884332 
1 1 1 7   -33 25 o 22.115  3.2223  78.287    18.449    83.581    26.578    73.364    25.628    22.906  4.4925  21.324  4.6206  1.582302       6.444585 
1 1 1 7   -33 26 o 18.853  3.4379  60.181    17.915    45.021    25.909    74.068    24.798    16.226  5.2365  21.481  4.4561  -5.254736      6.875888 
1 1 1 7   -33 27 o 15.049  3.3287  32.336    17.226    65.204    25.701    5.5266    23.212    19.682  4.8955  10.415  4.5117  9.267109       6.657392 
1 1 1 7   -33 28 o 29.141  2.8712  133.487   21.635    124.983   31.595    140.996   29.688    27.939  4.3648  30.343  3.7315  -2.403505      5.742456 
1 1 1 7   -33 29 o 23.593  3.2551  91.701    19.790    96.440    29.149    87.649    26.955    24.089  4.6863  23.097  4.5190  0.9922085      6.510254 
1 1 1 7   -33 30 o 19.673  3.4291  66.061    18.808    96.118    27.864    40.909    25.490    24.171  4.4686  15.176  5.2026  8.994740       6.858228 
1 1 1 7   -33 31 o 9.1068  2.9109  -6.1146   15.398    8.6710    23.032    -18.0662  20.707    10.516  4.5248  7.6973  3.6631  2.819108       5.821741 
1 1 1 7   -33 32 o 32.656  2.8437  170.649   24.228    190.330   35.058    152.657   33.521    34.698  3.8364  30.614  4.1985  4.084248       5.687302 
1 1 1 7   -33 33 o 18.977  3.3376  69.477    20.664    18.852    31.002    109.954   27.721    12.117  5.2316  25.837  4.1459  -13.71925      6.675141 
1 1 1 7   -33 34 o 27.187  3.2030  128.547   22.282    118.857   32.801    136.850   30.363    25.620  4.9591  28.753  4.0550  -3.133093      6.405958 
1 1 1 7   -33 35 o 8.9269  2.9227  -4.5648   16.575    -7.1893   23.865    -2.1193   23.037    8.7896  4.1046  9.0642  4.1618  -0.2745504     5.845348 
1 1 1 7   -33 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -33 37 o 8.2483  2.7674  -14.4017  17.035    -35.3269  24.250    5.9818    23.934    7.0023  3.4668  9.4944  4.3145  -2.492095      5.534729 
1 1 1 7   -32 0  o 32.345  2.3051  148.676   19.623    166.326   28.681    133.142   26.907    34.213  3.1657  30.478  3.3514  3.735243       4.610142 
1 1 1 7   -32 1  f 14.375  2.9855  29.818    12.690    43.007    18.827    18.837    17.178    16.856  4.1884  11.894  4.2557  4.962047       5.971068 
1 1 1 7   -32 2  o 28.313  2.3682  114.763   17.466    131.397   25.066    99.065    24.351    30.449  3.1174  26.177  3.5658  4.271858       4.736324 
1 1 1 7   -32 3  o 30.880  2.3771  136.406   19.273    129.070   27.811    143.184   26.732    29.975  3.5317  31.785  3.1827  -1.809347      4.754198 
1 1 1 7   -32 4  o 44.882  2.1571  282.950   25.748    277.804   37.060    287.750   35.798    44.429  3.1344  45.336  2.9644  -0.9064407     4.314110 
1 1 1 7   -32 5  o 28.925  2.4240  120.214   18.236    107.996   26.442    131.297   25.184    27.351  3.7047  30.498  3.1271  -3.147129      4.848049 
1 1 1 7   -32 6  o 43.685  2.1370  266.788   24.813    286.824   35.652    247.967   34.554    45.323  2.9530  42.048  3.0898  3.275551       4.273942 
1 1 1 7   -32 7  o 16.444  3.2205  39.613    14.712    50.961    22.519    31.162    19.433    18.346  4.5930  14.541  4.5155  3.805578       6.440948 
1 1 1 7   -32 8  o 55.939  2.1597  438.130   32.096    392.697   45.758    482.132   45.031    52.890  3.2457  58.989  2.8501  -6.098331      4.319434 
1 1 1 7   -32 9  o 47.086  2.1359  309.319   26.790    316.833   38.232    302.070   37.551    47.656  3.0107  46.516  3.0304  1.139870       4.271709 
1 1 1 7   -32 10 o 48.762  2.1556  331.762   28.004    342.956   39.972    320.972   39.245    49.588  3.0239  47.936  3.0728  1.651985       4.311161 
1 1 1 7   -32 11 o 19.737  3.0034  59.089    15.435    45.542    22.679    70.779    21.067    17.345  4.7445  22.128  3.6839  -4.783060      6.006743 
1 1 1 7   -32 12 o 26.559  2.6194  101.378   17.778    126.019   25.846    79.251    24.492    29.858  3.2863  23.261  4.0799  6.596851       5.238821 
1 1 1 7   -32 13 o 30.024  2.4214  128.339   18.845    152.655   27.038    105.370   26.279    32.979  3.0972  27.069  3.7231  5.910416       4.842896 
1 1 1 7   -32 14 o 18.963  2.9429  53.655    14.449    50.982    21.877    55.723    19.244    18.407  4.4797  19.518  3.8177  -1.111376      5.885823 
1 1 1 7   -32 15 o 8.5964  2.6559  -7.7385   11.743    9.4470    19.102    -18.1779  14.888    10.712  4.3204  6.4805  3.0902  4.231690       5.311797 
1 1 1 7   -32 16 o 44.284  2.1996  275.123   25.906    284.310   36.497    265.795   36.777    45.076  3.0407  43.491  3.1791  1.585091       4.399176 
1 1 1 7   -32 17 o 22.086  2.9587  72.757    16.806    62.374    23.981    82.779    23.559    20.323  4.5219  23.849  3.8168  -3.525433      5.917451 
1 1 1 7   -32 18 o 47.195  2.1962  313.032   27.596    320.397   38.839    305.523   39.218    47.797  3.0496  46.592  3.1612  1.204769       4.392431 
1 1 1 7   -32 19 o 18.038  3.2909  49.629    16.014    55.156    23.422    44.777    21.944    18.978  4.6452  17.098  4.6629  1.880457       6.581857 
1 1 1 7   -32 20 o 30.438  2.6130  136.042   20.259    105.510   28.874    165.649   28.433    26.675  4.1785  34.201  3.1389  -7.526363      5.226078 
1 1 1 7   -32 21 o 33.121  2.4056  157.887   20.793    133.573   29.261    182.690   29.554    30.333  3.6765  35.909  3.1032  -5.575809      4.811126 
1 1 1 7   -32 22 f 51.165  2.2140  371.610   30.135    393.882   42.417    348.911   42.821    52.826  3.0102  49.504  3.2474  3.322212       4.427992 
1 1 1 7   -32 23 o 12.379  3.1524  15.888    14.742    37.111    21.847    -1.8519   19.975    15.453  4.7860  9.3055  4.1042  6.147362       6.304770 
1 1 1 7   -32 24 f 18.534  3.2934  54.266    16.372    49.434    23.382    58.915    22.933    17.627  4.8157  19.441  4.4940  -1.813599      6.586876 
1 1 1 7   -32 25 o 19.649  3.2409  60.660    16.775    69.614    24.468    52.718    23.043    21.115  4.4660  18.184  4.6978  2.930437       6.481805 
1 1 1 7   -32 26 o 17.079  3.2871  47.822    16.677    25.477    24.491    67.142    22.773    13.361  5.0305  20.796  4.2324  -7.434930      6.574135 
1 1 1 7   -32 27 o 24.478  3.0204  93.297    18.989    93.158    28.245    93.411    25.651    24.269  4.5113  24.687  4.0174  -0.4186039     6.040750 
1 1 1 7   -32 28 o 27.808  2.8095  118.229   20.261    124.458   30.171    113.113   27.344    28.380  4.0868  27.235  3.8561  1.145794       5.618902 
1 1 1 7   -32 29 o 15.153  3.3567  38.212    16.920    15.053    25.621    56.122    22.531    11.826  4.9122  18.480  4.5760  -6.654395      6.713372 
1 1 1 7   -32 30 o 17.887  3.5090  53.699    17.852    73.537    26.790    37.854    23.943    20.862  4.8810  14.913  5.0426  5.949473       7.018020 
1 1 1 7   -32 31 o 18.056  3.3583  58.864    18.318    28.080    27.762    82.599    24.377    13.402  5.2728  22.711  4.1606  -9.309708      6.716655 
1 1 1 7   -32 32 o 12.128  3.3993  21.128    16.401    21.495    24.049    20.810    22.425    12.232  4.8774  12.024  4.7363  0.2088499      6.798673 
1 1 1 7   -32 33 o 23.753  3.3307  98.581    20.332    71.038    29.505    123.488   28.057    19.533  5.4387  27.974  3.8464  -8.440834      6.661410 
1 1 1 7   -32 34 o 14.672  3.6033  38.740    17.447    47.049    25.494    31.420    23.927    15.891  5.1990  13.454  4.9905  2.437247       7.206547 
1 1 1 7   -32 35 o 16.595  3.8088  53.761    19.372    58.697    28.162    49.327    26.691    17.262  5.4477  15.927  5.3244  1.335400       7.617555 
1 1 1 7   -32 36 o 16.056  3.5470  46.683    19.007    80.705    28.451    19.260    25.544    20.569  5.1701  11.543  4.8573  9.025880       7.093932 
1 1 1 7   -32 37 o 9.3866  4.2737  1.4785    23.629    1.4785    23.629    0.0000    0.0000    9.3866  4.2737  ?       ?       ?              ?        
1 1 1 7   -32 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -31 0  o 23.905  2.5526  82.163    15.812    88.262    22.930    76.633    21.834    24.788  3.5554  23.022  3.6637  1.766508       5.105232 
1 1 1 7   -31 1  o 12.817  2.7627  20.358    11.595    39.666    17.232    4.3813    15.675    16.377  3.9696  9.2569  3.8434  7.120541       5.525356 
1 1 1 7   -31 2  o 38.600  2.1321  207.785   21.837    221.720   31.166    194.346   30.606    39.918  2.9356  37.282  3.0928  2.635353       4.264141 
1 1 1 7   -31 3  o 13.463  2.9940  25.469    12.057    31.052    18.058    20.979    16.195    14.562  4.3192  12.365  4.1474  2.197177       5.988048 
1 1 1 7   -31 4  o 45.139  2.1233  283.884   25.417    259.832   36.328    306.949   35.574    43.164  3.1642  47.113  2.8322  -3.949627      4.246618 
1 1 1 7   -31 5  o 30.938  2.2616  134.398   18.404    124.959   26.325    143.422   25.739    29.795  3.3572  32.081  3.0313  -2.286152      4.523250 
1 1 1 7   -31 6  o 46.125  2.1024  295.721   25.725    273.306   37.000    316.695   35.791    44.335  3.1360  47.914  2.8011  -3.579140      4.204826 
1 1 1 7   -31 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -31 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -31 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -31 10 o 8.9915  3.8535  0.4695    16.586    0.4695    16.586    0.0000    0.0000    8.9915  3.8535  ?       ?       ?              ?        
1 1 1 7   -31 11 o 18.929  2.9037  54.873    14.770    27.977    21.533    78.768    20.296    14.217  4.7823  23.641  3.2947  -9.424574      5.807367 
1 1 1 7   -31 12 o 19.630  2.9655  57.546    15.192    41.664    22.005    72.010    21.000    16.785  4.7052  22.476  3.6106  -5.691032      5.930902 
1 1 1 7   -31 13 o 41.404  2.1789  239.494   23.670    281.266   33.500    197.846   33.450    45.185  2.7815  37.623  3.3546  7.562847       4.357733 
1 1 1 7   -31 14 f 21.768  2.8275  68.624    15.862    74.354    22.524    62.986    22.341    22.752  3.8322  20.783  4.1585  1.968975       5.654997 
1 1 1 7   -31 15 o 43.484  2.1244  262.016   24.590    263.589   34.758    260.440   34.794    43.620  2.9930  43.347  3.0155  0.2732353      4.248705 
1 1 1 7   -31 16 o 46.223  2.1413  296.704   26.319    312.294   36.970    280.683   37.477    47.517  2.9189  44.930  3.1338  2.587032       4.282618 
1 1 1 7   -31 17 o 12.603  2.9508  17.963    13.695    -5.4716   20.174    37.994    18.651    9.1603  4.0779  16.046  4.2661  -6.885359      5.901596 
1 1 1 7   -31 18 o 24.774  2.7469  89.530    17.381    76.088    25.286    101.568   23.930    22.763  4.3049  26.785  3.4132  -4.021132      5.493806 
1 1 1 7   -31 19 o 12.550  3.1801  20.195    13.534    22.532    20.066    18.244    18.331    13.030  4.6061  12.070  4.3859  0.9597950      6.360245 
1 1 1 7   -31 20 o 19.378  3.1896  59.069    17.052    82.374    23.053    30.911    25.340    23.910  3.7206  14.845  5.1817  9.064865       6.379138 
1 1 1 7   -31 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -31 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -31 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -31 24 o 13.632  4.6482  26.734    20.346    0.0000    0.0000    26.734    20.346    ?       ?       13.632  4.6482  ?              ?        
1 1 1 7   -31 25 o 11.769  2.9464  11.955    14.240    -16.0324  21.040    35.614    19.344    8.2663  3.8581  15.271  4.4543  -7.004567      5.892838 
1 1 1 7   -31 26 o 40.297  2.2622  231.934   24.191    220.924   34.201    242.956   34.221    39.270  3.2816  41.323  3.1147  -2.053173      4.524401 
1 1 1 7   -31 27 o 24.108  2.8929  86.618    17.830    108.872   26.743    68.809    23.923    27.101  3.7875  21.114  4.3739  5.986799       5.785877 
1 1 1 7   -31 28 o 17.920  3.1883  49.183    16.392    78.777    24.466    25.077    22.081    22.655  4.1860  13.184  4.8101  9.470741       6.376549 
1 1 1 7   -31 29 o 14.804  3.4647  35.175    16.153    29.583    23.535    40.155    22.211    13.884  4.9799  15.724  4.8183  -1.839823      6.929334 
1 1 1 7   -31 30 o 9.4803  2.9132  -0.8293   14.149    12.068    20.946    -11.6536  19.189    10.952  4.4843  8.0083  3.7198  2.944051       5.826343 
1 1 1 7   -31 31 o 26.339  2.8562  107.264   19.444    118.504   28.868    97.930    26.305    27.628  4.0188  25.050  4.0595  2.578243       5.712323 
1 1 1 7   -31 32 o 26.685  2.9153  112.022   20.118    122.849   29.418    102.511   27.573    27.982  4.0423  25.387  4.2018  2.594246       5.830578 
1 1 1 7   -31 33 o 19.572  3.4869  66.351    18.463    79.197    26.566    54.348    25.679    21.678  4.7099  17.465  5.1429  4.213140       6.973702 
1 1 1 7   -31 34 o 33.508  2.6255  174.308   23.149    182.858   33.460    166.458   32.060    34.316  3.6987  32.699  3.7271  1.617569       5.250934 
1 1 1 7   -31 35 o 19.638  3.6508  70.301    19.474    67.565    28.101    72.829    27.011    19.084  5.3056  20.192  5.0165  -1.107969      7.301691 
1 1 1 7   -31 36 o 13.437  3.5800  30.800    17.791    42.189    26.286    21.172    24.168    14.936  5.2728  11.939  4.8440  2.997496       7.160052 
1 1 1 7   -31 37 o 14.216  3.2321  27.722    18.329    72.136    26.339    -13.9782  25.522    19.733  4.9824  8.6995  4.1186  11.03375       6.464284 
1 1 1 7   -31 38 o 12.206  3.5477  25.903    18.635    24.732    26.273    27.088    26.434    12.064  4.9896  12.349  5.0447  -0.2850046     7.095452 
1 1 1 7   -31 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -31 40 o 10.565  3.2765  12.825    18.633    34.530    27.096    -6.6458   25.664    12.448  5.0989  8.6829  4.1163  3.764982       6.553075 
1 1 1 7   -30 0  o 15.497  2.9933  35.464    12.919    28.862    18.872    41.286    17.723    14.196  4.4566  16.797  3.9971  -2.601155      5.986505 
1 1 1 7   -30 1  o 8.4988  2.5541  0.2984    10.088    5.2758    15.608    -3.2734   13.222    9.4452  3.8695  7.5524  3.3346  1.892894       5.108103 
1 1 1 7   -30 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -30 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -30 4  o 29.115  2.3085  118.081   17.654    128.099   25.406    108.729   24.548    30.352  3.1719  27.877  3.3550  2.475483       4.617016 
1 1 1 7   -30 5  o 20.373  2.6942  60.049    14.078    51.527    20.465    67.705    19.396    18.839  4.1662  21.906  3.4173  -3.066275      5.388430 
1 1 1 7   -30 6  o 12.414  2.8862  20.632    11.110    24.102    16.390    17.682    15.111    13.157  4.1565  11.671  4.0056  1.485476       5.772417 
1 1 1 7   -30 7  o 34.866  2.1601  168.089   19.937    162.644   28.661    173.193   27.750    34.278  3.1571  35.453  2.9491  -1.174423      4.320250 
1 1 1 7   -30 8  o 43.778  2.0394  263.053   23.719    287.840   33.977    239.492   33.126    45.835  2.7807  41.721  2.9840  4.113548       4.078795 
1 1 1 7   -30 9  o 25.632  2.3334  91.635    15.637    95.967    22.512    87.596    21.737    26.233  3.2753  25.031  3.3244  1.201965       4.666787 
1 1 1 7   -30 10 o 19.298  2.7553  53.257    13.741    58.754    20.012    48.353    18.901    20.278  3.8248  18.319  3.9670  1.959372       5.510552 
1 1 1 7   -30 11 o 13.578  3.0796  25.092    13.228    14.464    19.383    34.357    18.097    11.732  4.4615  15.424  4.2462  -3.692148      6.159162 
1 1 1 7   -30 12 o 10.334  2.8984  8.3539    11.912    11.868    17.933    5.5785    15.937    11.050  4.2689  9.6189  3.9218  1.431235       5.796888 
1 1 1 7   -30 13 o 36.651  2.1221  185.958   20.465    213.037   29.018    159.158   28.868    39.412  2.7663  33.891  3.2187  5.521332       4.244161 
1 1 1 7   -30 14 o 11.567  3.0366  15.108    12.560    13.124    18.053    16.969    17.487    11.274  4.3012  11.860  4.2877  -0.5855579     6.073290 
1 1 1 7   -30 15 o 16.895  3.0641  41.523    13.910    42.772    20.378    40.435    19.033    17.119  4.4154  16.671  4.2497  0.4479637      6.128257 
1 1 1 7   -30 16 o 66.264  2.1271  602.899   37.716    631.084   53.204    574.429   53.473    67.864  2.9270  64.664  3.0873  3.200203       4.254259 
1 1 1 7   -30 17 o 17.262  3.1078  44.342    14.594    34.255    21.752    52.599    19.681    15.446  4.7742  19.078  3.9802  -3.632250      6.215660 
1 1 1 7   -30 18 o 32.315  2.3421  147.410   19.538    116.660   27.745    177.661   27.518    28.746  3.6884  35.883  2.8876  -7.136936      4.684279 
1 1 1 7   -30 19 o 35.823  2.2836  181.369   20.823    237.161   29.774    127.952   29.133    41.548  2.6899  30.099  3.6910  11.44866       4.567187 
1 1 1 7   -30 20 o 23.965  2.6316  82.532    16.070    64.831    22.550    100.800   22.908    21.119  4.1344  26.810  3.2569  -5.691420      5.263131 
1 1 1 7   -30 21 o 62.213  2.1212  533.990   35.340    533.428   49.486    534.575   50.487    62.197  2.9704  62.228  3.0291  -0.3112793E-01 4.242488 
1 1 1 7   -30 22 o 53.586  2.0931  397.544   29.920    387.679   41.954    407.755   42.682    52.900  2.9730  54.272  2.9472  -1.371605      4.186253 
1 1 1 7   -30 23 o 13.160  2.8540  21.313    12.991    42.973    18.272    -0.8268   18.473    17.069  4.0564  9.2502  4.0159  7.818659       5.708085 
1 1 1 7   -30 24 o 41.204  2.1732  237.574   23.763    221.940   33.642    253.139   33.570    39.780  3.1841  42.627  2.9584  -2.847355      4.346359 
1 1 1 7   -30 25 o 32.646  2.3366  150.876   20.114    161.573   28.704    140.556   28.193    33.844  3.2047  31.448  3.4012  2.396238       4.673130 
1 1 1 7   -30 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -30 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -30 28 o 25.171  2.8926  95.198    18.619    89.608    27.967    99.647    24.951    24.247  4.4710  26.095  3.6713  -1.847958      5.785221 
1 1 1 7   -30 29 o 18.625  3.1247  56.580    16.211    30.374    24.143    78.098    21.877    14.274  5.0518  22.976  3.6790  -8.702220      6.249429 
1 1 1 7   -30 30 o 29.790  2.5794  131.864   19.971    121.942   29.225    140.556   27.354    28.502  3.9329  31.078  3.3383  -2.576324      5.158727 
1 1 1 7   -30 31 f 18.198  3.3576  53.283    16.831    68.707    24.716    39.945    22.984    20.746  4.5712  15.651  4.9191  5.095417       6.715160 
1 1 1 7   -30 32 o 18.201  3.3874  53.592    17.283    75.756    25.894    35.786    23.209    21.634  4.6097  14.768  4.9648  6.865634       6.774897 
1 1 1 7   -30 33 o 35.949  2.4954  195.418   23.495    175.457   33.921    213.824   32.573    33.847  3.8077  38.051  3.2264  -4.203995      4.990776 
1 1 1 7   -30 34 o 25.887  2.9431  106.540   19.681    115.421   28.429    98.366    27.274    27.041  4.0497  24.732  4.2716  2.309357       5.886143 
1 1 1 7   -30 35 o 27.431  2.9633  121.498   20.973    111.428   29.982    131.147   29.348    26.000  4.4662  28.862  3.8959  -2.862278      5.926600 
1 1 1 7   -30 36 o 34.139  2.7095  183.767   24.311    173.434   34.143    194.393   34.624    33.020  3.9380  35.258  3.7226  -2.237511      5.419043 
1 1 1 7   -30 37 o 25.925  3.3976  118.039   22.501    98.822    32.655    135.410   31.047    23.077  5.3818  28.772  4.1486  -5.694618      6.795201 
1 1 1 7   -30 38 o 26.599  3.4438  127.596   23.227    89.184    32.688    166.769   33.010    21.191  5.6542  32.008  3.9331  -10.81724      6.887594 
1 1 1 7   -30 39 o 19.388  3.6452  74.477    20.260    97.584    28.669    51.425    28.635    23.159  4.7802  15.617  5.5044  7.542369       7.290357 
1 1 1 7   -30 40 o 10.371  4.5652  12.002    24.600    12.002    24.600    0.0000    0.0000    10.371  4.5652  ?       ?       ?              ?        
1 1 1 7   -30 41 o 9.2417  4.3499  -2.2515   27.717    0.0000    0.0000    -2.2515   27.717    ?       ?       9.2417  4.3499  ?              ?        
1 1 1 7   -29 0  o ?       ?       41.745    109646.00 89.639    189919.30 17.800    134285.91 ?       ?       ?       ?       ?              ?        
1 1 1 7   -29 1  o 25.629  2.3116  91.731    15.458    89.483    22.550    93.724    21.230    25.282  3.4177  25.976  3.1134  -0.6945915     4.623164 
1 1 1 7   -29 2  o 19.914  2.6367  56.192    13.453    74.368    19.807    40.628    18.329    23.059  3.3012  16.769  4.1123  6.290003       5.273442 
1 1 1 7   -29 3  o 28.010  2.1798  108.178   15.948    126.429   23.245    91.946    21.922    30.311  2.8984  25.709  3.2565  4.601772       4.359575 
1 1 1 7   -29 4  o 19.031  2.6823  51.285    13.241    76.333    19.669    30.524    17.907    23.409  3.2224  14.653  4.2889  8.755962       5.364595 
1 1 1 7   -29 5  o 36.729  2.0315  184.747   19.820    189.575   28.487    180.218   27.594    37.194  2.8819  36.264  2.8641  0.9296570      4.063091 
1 1 1 7   -29 6  o 47.461  2.0068  307.523   25.380    321.665   36.349    294.069   35.454    48.539  2.8079  46.384  2.8678  2.155022       4.013526 
1 1 1 7   -29 7  o 22.713  2.4319  71.954    14.305    77.969    20.925    66.677    19.600    23.628  3.4047  21.798  3.4735  1.829750       4.863873 
1 1 1 7   -29 8  o 22.866  2.4566  72.968    14.450    86.572    21.097    60.947    19.832    24.971  3.2300  20.761  3.7021  4.209435       4.913110 
1 1 1 7   -29 9  o 51.255  2.0056  358.506   27.426    359.879   38.938    357.154   38.636    51.351  2.8421  51.159  2.8305  0.1914444      4.011144 
1 1 1 7   -29 10 o 41.839  2.0288  239.347   22.591    247.128   32.078    231.691   31.821    42.528  2.8323  41.151  2.9057  1.377121       4.057689 
1 1 1 7   -29 11 o 44.163  2.0513  266.660   24.128    261.700   33.949    271.721   34.299    43.742  2.9143  44.584  2.8877  -0.8415375     4.102667 
1 1 1 7   -29 12 o 9.9942  2.5495  1.8676    10.206    25.915    16.341    -13.5111  13.068    13.610  4.1252  6.3782  2.9973  7.231923       5.099085 
1 1 1 7   -29 13 o 62.290  2.0602  528.683   34.372    528.430   48.602    528.937   48.618    62.275  2.9138  62.305  2.9133  -0.3002548E-01 4.120337 
1 1 1 7   -29 14 o 26.232  2.3740  95.765    16.282    100.230   23.086    91.347    22.968    26.873  3.2751  25.591  3.4377  1.281372       4.748042 
1 1 1 7   -29 15 o 15.591  2.9988  34.842    13.126    25.508    18.612    44.081    18.515    13.673  4.4406  17.509  4.0314  -3.836678      5.997586 
1 1 1 7   -29 16 o 65.480  2.0857  585.192   36.578    584.260   51.438    586.145   52.027    65.434  2.9349  65.527  2.9643  -0.9320831E-01 4.171382 
1 1 1 7   -29 17 o 31.916  2.2157  140.719   18.685    134.885   26.338    146.629   26.511    31.225  3.1941  32.606  3.0717  -1.381237      4.431448 
1 1 1 7   -29 18 o 32.753  2.1631  148.038   18.752    146.965   26.736    149.078   26.308    32.623  3.0969  32.883  3.0207  -0.2593536     4.326112 
1 1 1 7   -29 19 o 24.423  2.5417  83.988    16.127    83.986    22.991    83.989    22.629    24.412  3.6262  24.434  3.5625  -0.2130699E-01 5.083395 
1 1 1 7   -29 20 o 39.141  2.0784  210.955   21.615    216.056   30.289    205.661   30.856    39.649  2.8715  38.632  3.0056  1.017605       4.156874 
1 1 1 7   -29 21 o 73.485  2.1693  741.545   42.692    723.730   59.968    759.854   60.793    72.580  3.0847  74.390  3.0511  -1.809631      4.338690 
1 1 1 7   -29 22 o 36.494  2.1491  184.497   20.761    169.901   29.312    199.190   29.409    34.987  3.1620  38.001  2.9114  -3.014164      4.298249 
1 1 1 7   -29 23 o 30.553  2.2834  130.656   18.326    119.755   26.090    141.275   25.748    29.214  3.3977  31.893  3.0514  -2.678625      4.566761 
1 1 1 7   -29 24 o 16.642  3.0135  41.579    14.043    25.755    20.634    55.231    19.166    13.732  4.6810  19.553  3.7964  -5.821410      6.026991 
1 1 1 7   -29 25 o 23.818  2.6956  82.293    16.455    72.499    23.944    91.059    22.653    22.285  4.1645  25.351  3.4237  -3.066467      5.391144 
1 1 1 7   -29 26 o 20.755  2.9633  63.200    15.854    66.511    23.593    60.474    21.407    21.215  4.2991  20.295  4.0795  0.9203568      5.926630 
1 1 1 7   -29 27 o 35.020  2.2212  172.151   20.568    187.159   29.563    158.071   28.634    36.556  3.0470  33.485  3.2329  3.071854       4.442488 
1 1 1 7   -29 28 o 22.460  2.9391  74.107    16.944    91.489    25.128    59.614    22.945    25.043  3.8710  19.877  4.4237  5.165695       5.878186 
1 1 1 7   -29 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -29 30 o 55.838  3.0825  441.419   45.923    0.0000    0.0000    441.419   45.923    ?       ?       55.838  3.0825  ?              ?        
1 1 1 7   -29 31 o 12.558  3.2980  20.646    14.845    26.953    21.974    15.351    20.136    13.580  4.8181  11.536  4.5047  2.044403       6.595976 
1 1 1 7   -29 32 o 12.306  3.2754  19.787    14.938    12.678    21.109    26.919    21.143    11.196  4.5325  13.417  4.7298  -2.221540      6.550870 
1 1 1 7   -29 33 o 11.355  3.0756  11.111    14.879    -10.4645  21.353    31.474    20.745    8.6202  3.9758  14.090  4.6937  -5.469650      6.151228 
1 1 1 7   -29 34 o 10.459  3.0934  6.4727    15.072    19.460    21.773    -5.4783   20.886    12.021  4.6870  8.8976  4.0383  3.123327       6.186762 
1 1 1 7   -29 35 f 14.822  3.4845  36.523    16.957    51.001    24.100    22.328    23.864    17.173  4.9610  12.471  4.8944  4.702477       6.968984 
1 1 1 7   -29 36 o 41.935  2.4839  268.197   27.540    247.650   39.140    288.343   38.758    40.082  3.6870  43.788  3.3295  -3.705872      4.967874 
1 1 1 7   -29 37 o 14.887  3.6808  39.908    18.697    27.676    26.769    51.558    26.125    13.074  5.1669  16.701  5.2437  -3.626996      7.361585 
1 1 1 7   -29 38 o 27.392  3.0077  123.810   21.206    139.534   30.253    108.622   29.732    29.489  3.9278  25.295  4.5560  4.194088       6.015411 
1 1 1 7   -29 39 o 8.8274  2.9132  -11.7611  17.386    1.6555    24.072    -26.3911  25.137    9.7247  4.3817  7.9301  3.8403  1.794592       5.826452 
1 1 1 7   -29 40 o 22.638  3.7636  99.760    22.512    109.055   31.667    90.262    32.011    24.170  5.0540  21.106  5.5782  3.064747       7.527245 
1 1 1 7   -29 41 o 23.850  3.8854  116.560   24.319    123.684   34.969    109.887   33.843    24.709  5.4317  22.991  5.5572  1.718256       7.770863 
1 1 1 7   -29 42 o 12.431  5.3110  34.777    31.329    0.0000    0.0000    34.777    31.329    ?       ?       12.431  5.3110  ?              ?        
1 1 1 7   -28 0  o 27.085  3.0142  101.190   21.496    0.0000    0.0000    101.190   21.496    ?       ?       27.085  3.0142  ?              ?        
1 1 1 7   -28 1  o 57.016  2.8821  443.346   43.871    0.0000    0.0000    443.346   43.871    ?       ?       57.016  2.8821  ?              ?        
1 1 1 7   -28 2  f 17.170  3.7510  41.997    16.768    0.0000    0.0000    41.997    16.768    ?       ?       17.170  3.7510  ?              ?        
1 1 1 7   -28 3  o 85.865  3.2127  1005.58   73.888    0.0000    0.0000    1005.58   73.888    ?       ?       85.865  3.2127  ?              ?        
1 1 1 7   -28 4  o 42.944  2.6751  256.036   27.209    252.159   51.146    257.567   32.133    42.408  4.5752  43.480  2.7736  -1.071697      5.350249 
1 1 1 7   -28 5  o 38.271  2.0277  200.275   20.598    192.655   29.610    207.419   28.672    37.535  2.9694  39.008  2.7621  -1.472702      4.055405 
1 1 1 7   -28 6  o 26.859  2.1645  99.108    15.231    110.838   22.087    88.472    21.032    28.417  2.9446  25.302  3.1732  3.114780       4.328955 
1 1 1 7   -28 7  o 47.147  1.9728  302.461   24.797    309.754   35.411    295.444   34.736    47.708  2.7833  46.586  2.7967  1.122059       3.945639 
1 1 1 7   -28 8  o 63.484  2.0732  548.169   35.189    512.388   49.890    583.593   49.640    61.388  3.0342  65.580  2.8260  -4.192013      4.146368 
1 1 1 7   -28 9  o 55.699  1.9842  421.330   29.548    429.469   42.080    413.413   41.502    56.267  2.7921  55.130  2.8200  1.137863       3.968377 
1 1 1 7   -28 10 o 35.076  2.0779  169.475   19.052    201.912   27.065    137.614   26.823    38.520  2.6391  31.632  3.2103  6.887352       4.155831 
1 1 1 7   -28 11 o 36.111  2.0556  178.232   19.703    185.236   27.919    171.283   27.809    36.836  2.8519  35.386  2.9613  1.449455       4.111226 
1 1 1 7   -28 12 o 61.159  2.0336  507.928   33.311    510.812   46.969    505.010   47.248    61.338  2.8589  60.979  2.8928  0.3591919      4.067102 
1 1 1 7   -28 13 o 12.490  2.8188  17.491    11.996    35.738    17.430    1.0686    16.536    15.817  4.0853  9.1632  3.8848  6.654103       5.637516 
1 1 1 7   -28 14 f 81.569  2.2128  906.699   48.318    937.054   68.155    876.026   68.511    82.969  3.0668  80.169  3.1906  2.800575       4.425515 
1 1 1 7   -28 15 o 45.432  2.0153  282.637   24.264    312.909   34.133    251.711   34.499    47.961  2.6676  42.903  3.0214  5.057964       4.030531 
1 1 1 7   -28 16 o 18.478  2.7773  49.087    13.649    73.613    19.750    26.662    18.886    22.995  3.3012  13.961  4.4671  9.034294       5.554535 
1 1 1 7   -28 17 o 23.172  2.3969  74.918    14.436    75.726    20.503    74.123    20.329    23.300  3.3842  23.045  3.3952  0.2554741      4.793750 
1 1 1 7   -28 18 o 23.014  2.4874  74.185    14.837    70.629    20.821    77.853    21.147    22.423  3.5876  23.605  3.4463  -1.181961      4.974739 
1 1 1 7   -28 19 o 11.016  2.7909  10.484    11.635    26.002    16.733    -4.0426   16.190    13.648  4.1822  8.3849  3.6967  5.263202       5.581795 
1 1 1 7   -28 20 o 39.022  2.0104  208.582   20.832    194.000   29.278    223.536   29.648    37.607  2.9297  40.437  2.7537  -2.830193      4.020752 
1 1 1 7   -28 21 f 31.249  2.1935  135.093   18.025    120.481   25.363    150.004   25.622    29.472  3.2680  33.026  2.9267  -3.554390      4.386939 
1 1 1 7   -28 22 o 45.080  1.9949  278.474   23.951    267.552   33.867    289.403   33.876    44.172  2.8782  45.989  2.7630  -1.816807      3.989708 
1 1 1 7   -28 23 f 50.418  2.0022  348.373   26.893    372.000   38.374    325.569   37.700    52.132  2.7580  48.704  2.9031  3.428452       4.004327 
1 1 1 7   -28 24 o 66.819  2.0868  612.463   37.326    592.025   52.991    632.588   52.585    65.680  3.0122  67.959  2.8889  -2.278625      4.173581 
1 1 1 7   -28 25 o 36.836  2.1078  187.500   20.614    192.507   29.471    182.704   28.843    37.323  2.9727  36.348  2.9891  0.9745331      4.215589 
1 1 1 7   -28 26 f 39.154  2.1012  212.445   21.828    207.255   31.604    217.179   30.183    38.648  3.0785  39.661  2.8605  -1.012878      4.202329 
1 1 1 7   -28 27 o 33.028  2.2178  152.043   19.350    164.212   27.945    140.834   26.820    34.333  3.0713  31.723  3.2001  2.609564       4.435504 
1 1 1 7   -28 28 o 14.174  3.2435  28.753    14.009    29.887    20.778    27.808    18.969    14.420  4.6924  13.929  4.4791  0.4911604      6.486966 
1 1 1 7   -28 29 o 20.696  3.0183  65.760    16.094    48.393    24.037    79.873    21.668    17.810  4.8897  23.582  3.5398  -5.771591      6.036530 
1 1 1 7   -28 30 o 20.454  3.0509  61.813    16.174    77.540    24.354    49.402    21.635    22.881  4.1257  18.028  4.4957  4.852339       6.101841 
1 1 1 7   -28 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -28 32 o 34.159  3.3871  168.251   30.581    0.0000    0.0000    168.251   30.581    ?       ?       34.159  3.3871  ?              ?        
1 1 1 7   -28 33 o 40.874  2.3248  241.259   25.234    239.370   35.845    243.114   35.529    40.688  3.3180  41.061  3.2572  -0.3729515     4.649559 
1 1 1 7   -28 34 o 10.545  3.0999  7.5956    14.875    16.678    20.630    -2.2383   21.467    11.652  4.5571  9.4375  4.2036  2.214877       6.199790 
1 1 1 7   -28 35 o 14.627  3.4194  33.950    16.589    49.532    23.334    18.024    23.590    17.218  4.8517  12.036  4.8199  5.181904       6.838870 
1 1 1 7   -28 36 o 31.905  2.7810  158.815   22.741    188.624   32.112    128.826   32.209    35.467  3.4227  28.343  4.3842  7.124210       5.561989 
1 1 1 7   -28 37 o 16.115  3.3448  42.977    17.598    72.429    25.260    15.197    24.532    20.721  4.6638  11.509  4.7958  9.211699       6.689615 
1 1 1 7   -28 38 o 23.732  3.4157  97.224    20.968    103.749   29.495    90.556    29.814    24.807  4.6087  22.657  5.0426  2.149584       6.831384 
1 1 1 7   -28 39 o 17.633  3.7260  58.916    19.374    47.275    27.729    70.019    27.079    15.693  5.4237  19.572  5.1103  -3.878516      7.451974 
1 1 1 7   -28 40 o 10.539  3.2897  7.3714    18.347    0.0223    25.887    14.789    26.007    9.8381  4.4770  11.240  4.8213  -1.401431      6.579397 
1 1 1 7   -28 41 o 9.9540  3.1283  1.9801    17.607    20.128    24.757    -16.5936  25.046    11.532  4.8127  8.3758  3.9978  3.156466       6.256531 
1 1 1 7   -28 42 o 15.075  3.9628  51.913    21.575    43.232    30.180    60.986    30.854    13.931  5.4925  16.218  5.7140  -2.286513      7.925694 
1 1 1 7   -28 43 o 7.3458  3.6389  -36.5112  26.858    0.0000    0.0000    -36.5112  26.858    ?       ?       7.3458  3.6389  ?              ?        
1 1 1 7   -27 0  o 45.571  3.7387  286.155   45.233    286.155   45.233    0.0000    0.0000    45.571  3.7387  ?       ?       ?              ?        
1 1 1 7   -27 1  o 15.529  3.9763  34.333    16.611    0.0000    0.0000    34.333    16.611    ?       ?       15.529  3.9763  ?              ?        
1 1 1 7   -27 2  o 66.710  2.9323  603.745   52.395    0.0000    0.0000    603.745   52.395    ?       ?       66.710  2.9323  ?              ?        
1 1 1 7   -27 3  o 50.562  2.7522  347.184   37.132    0.0000    0.0000    347.184   37.132    ?       ?       50.562  2.7522  ?              ?        
1 1 1 7   -27 4  o 31.642  2.8484  136.702   23.882    0.0000    0.0000    136.702   23.882    ?       ?       31.642  2.8484  ?              ?        
1 1 1 7   -27 5  o 43.253  2.7342  254.142   31.513    0.0000    0.0000    254.142   31.513    ?       ?       43.253  2.7342  ?              ?        
1 1 1 7   -27 6  o 42.208  2.6926  241.897   30.282    0.0000    0.0000    241.897   30.282    ?       ?       42.208  2.6926  ?              ?        
1 1 1 7   -27 7  o 43.567  2.5771  258.475   26.838    264.960   50.443    255.915   31.697    43.723  4.3656  43.412  2.7400  0.3112869      5.154252 
1 1 1 7   -27 8  o 53.127  1.9913  383.029   28.230    382.103   40.293    383.921   39.562    53.057  2.8457  53.198  2.7862  -0.1411057     3.982553 
1 1 1 7   -27 9  o 36.947  1.9683  185.736   19.319    194.713   27.419    176.885   27.225    37.851  2.7227  36.043  2.8432  1.808090       3.936547 
1 1 1 7   -27 10 o 38.273  2.0298  199.724   20.611    211.882   28.950    187.228   29.350    39.486  2.7545  37.059  2.9821  2.427574       4.059594 
1 1 1 7   -27 11 o 73.559  2.1222  733.392   41.797    709.271   59.034    757.635   59.185    72.333  3.0471  74.785  2.9546  -2.452469      4.244330 
1 1 1 7   -27 12 o 49.884  1.9784  337.701   26.325    333.839   36.919    341.694   37.546    49.595  2.7906  50.173  2.8051  -0.5785065     3.956748 
1 1 1 7   -27 13 f 98.505  2.3958  1319.73   63.211    1326.62   89.355    1312.83   89.431    98.767  3.3777  98.243  3.3986  0.5240097      4.791589 
1 1 1 7   -27 14 o 66.740  2.0567  603.926   36.739    625.311   51.714    582.135   52.203    67.951  2.8414  65.528  2.9742  2.422661       4.113325 
1 1 1 7   -27 15 f 49.831  1.9573  337.100   26.017    331.541   36.382    342.918   37.219    49.412  2.7600  50.251  2.7760  -0.8391418     3.914577 
1 1 1 7   -27 16 o 33.763  2.0559  155.684   18.408    155.539   25.817    155.833   26.255    33.753  2.8833  33.774  2.9314  -0.2138901E-01 4.111758 
1 1 1 7   -27 17 o 87.405  2.2487  1039.22   52.641    1040.49   74.056    1037.93   74.842    87.467  3.1610  87.343  3.1991  0.1238327      4.497386 
1 1 1 7   -27 18 o 72.642  2.0967  716.703   40.790    709.075   57.179    724.609   58.207    72.252  2.9546  73.031  2.9756  -0.7798386     4.193318 
1 1 1 7   -27 19 o 59.339  1.9810  477.605   31.466    454.837   43.946    501.557   45.074    57.879  2.8347  60.798  2.7679  -2.919270      3.961945 
1 1 1 7   -27 20 o 35.880  2.0625  177.565   19.335    212.666   27.462    143.062   27.227    39.523  2.6088  32.237  3.1954  7.285702       4.125084 
1 1 1 7   -27 21 o 21.556  2.6242  66.402    14.422    52.351    20.568    79.994    20.228    19.113  4.1376  23.998  3.2290  -4.885027      5.248381 
1 1 1 7   -27 22 o 90.872  2.2904  1129.67   55.748    1137.27   78.823    1122.07   78.856    91.185  3.2273  90.560  3.2510  0.6252060      4.580870 
1 1 1 7   -27 23 o 53.871  1.9916  396.324   28.628    409.940   40.736    383.036   40.241    54.799  2.7845  52.943  2.8483  1.856724       3.983194 
1 1 1 7   -27 24 o 61.170  2.0124  510.619   32.927    545.269   46.876    476.871   46.261    63.250  2.7669  59.091  2.9229  4.159473       4.024821 
1 1 1 7   -27 25 o 36.576  2.0503  183.915   19.917    186.561   28.544    181.404   27.805    36.828  2.9175  36.324  2.8814  0.5038567      4.100543 
1 1 1 7   -27 26 o 30.602  2.2117  130.301   17.807    123.185   25.734    136.837   24.666    29.736  3.2859  31.468  2.9613  -1.731745      4.423405 
1 1 1 7   -27 27 o 12.084  3.0982  17.797    12.923    16.961    18.774    18.549    17.815    12.007  4.4270  12.161  4.3357  -0.1538563     6.196500 
1 1 1 7   -27 28 o 41.134  2.0866  234.770   22.737    223.097   33.140    245.153   31.254    40.089  3.1107  42.180  2.7820  -2.091385      4.173186 
1 1 1 7   -27 29 o 12.660  3.0673  20.809    13.547    4.8593    21.231    31.760    17.593    10.584  4.4398  14.735  4.2335  -4.151524      6.134658 
1 1 1 7   -27 30 o 12.600  2.8184  18.096    13.187    -8.9057   19.564    40.583    17.853    8.6331  3.9144  16.567  4.0560  -7.933430      5.636845 
1 1 1 7   -27 31 o 9.1978  2.8250  -3.4267   13.374    -13.9029  18.547    7.9205    19.302    7.8787  3.6588  10.517  4.3053  -2.638343      5.649931 
1 1 1 7   -27 32 o 24.175  2.8263  86.206    17.660    87.508    25.023    84.914    24.927    24.375  3.9694  23.975  4.0243  0.4001942      5.652552 
1 1 1 7   -27 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -27 34 o 14.819  3.1447  29.288    16.186    -0.0289   22.575    60.304    23.220    9.9896  4.3859  19.648  4.5079  -9.658497      6.289452 
1 1 1 7   -27 35 o 12.614  3.0720  12.760    15.814    -18.9136  21.865    47.504    22.901    8.1172  3.8336  17.110  4.8013  -8.992749      6.143979 
1 1 1 7   -27 36 o 28.834  2.8619  128.443   21.338    142.157   30.068    114.530   30.286    30.674  3.7369  26.994  4.3355  3.680786       5.723712 
1 1 1 7   -27 37 o 13.122  3.4133  24.663    16.763    9.1120    23.466    40.867    23.954    10.804  4.6056  15.440  5.0389  -4.636479      6.826562 
1 1 1 7   -27 38 o 14.230  3.6481  34.417    18.287    25.155    26.027    43.448    25.701    12.876  5.0928  15.584  5.2247  -2.708354      7.296174 
1 1 1 7   -27 39 o 9.5064  2.9634  -4.5565   16.258    17.103    22.036    -30.4344  24.086    11.388  4.6237  7.6246  3.7080  3.763721       5.926881 
1 1 1 7   -27 40 o 10.628  3.1922  7.1132    17.013    25.186    23.683    -12.1563  24.455    12.493  4.8835  8.7632  4.1123  3.729491       6.384386 
1 1 1 7   -27 41 o 9.7707  3.1443  -1.6001   18.181    -11.0072  24.974    9.0071    26.519    8.8451  4.1524  10.696  4.7227  -1.851273      6.288587 
1 1 1 7   -27 42 o 10.915  3.3730  12.363    18.972    2.3457    26.686    22.601    26.978    9.9385  4.5315  11.892  4.9975  -1.953988      6.746073 
1 1 1 7   -27 43 o 7.4441  3.6542  -30.8810  25.049    -30.8810  25.049    0.0000    0.0000    7.4441  3.6542  ?       ?       ?              ?        
1 1 1 7   -27 44 o 10.107  3.2695  9.0057    20.356    22.037    28.043    -5.5077   29.595    11.063  4.8721  9.1500  4.3613  1.913475       6.538973 
1 1 1 7   -26 0  o 42.705  2.7343  247.635   31.112    247.635   31.112    0.0000    0.0000    42.705  2.7343  ?       ?       ?              ?        
1 1 1 7   -26 1  o 26.302  2.9748  94.841    20.589    94.841    20.589    0.0000    0.0000    26.302  2.9748  ?       ?       ?              ?        
1 1 1 7   -26 2  o 50.308  2.8091  343.210   37.701    343.210   37.701    0.0000    0.0000    50.308  2.8091  ?       ?       ?              ?        
1 1 1 7   -26 3  o 16.568  3.8233  38.838    16.621    38.838    16.621    0.0000    0.0000    16.568  3.8233  ?       ?       ?              ?        
1 1 1 7   -26 4  o 32.139  4.8990  144.951   40.839    0.0000    0.0000    144.951   40.839    ?       ?       32.139  4.8990  ?              ?        
1 1 1 7   -26 5  o 49.672  2.7416  334.061   36.334    0.0000    0.0000    334.061   36.334    ?       ?       49.672  2.7416  ?              ?        
1 1 1 7   -26 6  o 70.885  2.9094  678.804   55.240    0.0000    0.0000    678.804   55.240    ?       ?       70.885  2.9094  ?              ?        
1 1 1 7   -26 7  o 30.014  2.8047  122.627   22.286    0.0000    0.0000    122.627   22.286    ?       ?       30.014  2.8047  ?              ?        
1 1 1 7   -26 8  o 40.401  2.7474  221.212   29.553    0.0000    0.0000    221.212   29.553    ?       ?       40.401  2.7474  ?              ?        
1 1 1 7   -26 9  o 90.192  3.2146  1100.38   77.659    0.0000    0.0000    1100.38   77.659    ?       ?       90.192  3.2146  ?              ?        
1 1 1 7   -26 10 o 58.436  2.7448  484.624   38.230    420.280   69.397    512.659   45.808    55.232  4.7368  61.641  2.7745  -6.408985      5.489542 
1 1 1 7   -26 11 f 79.189  2.1670  848.344   45.873    784.752   64.695    912.650   65.056    76.176  3.1707  82.202  2.9547  -6.025841      4.334059 
1 1 1 7   -26 12 o 50.189  1.9627  341.113   26.263    347.373   36.679    334.527   37.623    50.675  2.7122  49.702  2.8378  0.9722786      3.925456 
1 1 1 7   -26 13 o 40.440  1.9663  221.979   21.145    230.460   29.642    213.193   30.171    41.245  2.6980  39.634  2.8613  1.610817       3.932688 
1 1 1 7   -26 14 o 116.778 2.6371  1852.70   82.484    1838.06   116.266   1867.53   117.036   116.312 3.7320  117.243 3.7269  -0.9309311     5.274194 
1 1 1 7   -26 15 o 73.033  2.0726  720.781   40.534    713.492   56.581    728.464   58.095    72.659  2.9073  73.406  2.9547  -0.7474518     4.145220 
1 1 1 7   -26 16 o 86.885  2.2159  1021.96   51.561    998.463   72.289    1046.29   73.564    85.866  3.1431  87.904  3.1244  -2.038193      4.431845 
1 1 1 7   -26 17 o 97.650  2.3506  1293.52   61.447    1235.72   86.148    1353.37   87.670    95.412  3.3709  99.887  3.2768  -4.475655      4.701148 
1 1 1 7   -26 18 o 64.201  1.9923  557.502   34.250    554.887   47.799    560.261   49.102    64.054  2.7860  64.349  2.8488  -0.2951126     3.984678 
1 1 1 7   -26 19 o 60.496  1.9552  495.134   31.678    490.362   44.381    500.092   45.230    60.202  2.7523  60.790  2.7778  -0.5885963     3.910453 
1 1 1 7   -26 20 o 29.936  2.1176  122.870   16.729    126.408   23.340    119.132   23.991    30.403  2.9013  29.468  3.0853  0.9358692      4.235165 
1 1 1 7   -26 21 o 42.959  1.9337  251.637   22.029    223.877   31.067    279.713   31.243    40.524  2.8809  45.393  2.5803  -4.868721      3.867489 
1 1 1 7   -26 22 o 28.745  2.1938  114.102   16.512    127.248   23.332    100.911   23.372    30.477  2.8928  27.012  3.2988  3.465248       4.387574 
1 1 1 7   -26 23 o 27.743  2.3127  107.592   16.533    87.015    23.477    127.837   23.287    24.952  3.6183  30.534  2.8814  -5.582458      4.625408 
1 1 1 7   -26 24 o 16.491  2.8486  39.321    13.063    22.074    18.563    56.243    18.387    13.021  4.4399  19.961  3.5700  -6.940101      5.697129 
1 1 1 7   -26 25 o 23.019  2.5355  75.205    14.966    65.302    21.674    84.231    20.691    21.425  3.9213  24.613  3.2154  -3.187820      5.071019 
1 1 1 7   -26 26 o 19.267  2.7750  55.128    13.871    33.778    20.022    74.833    19.236    15.367  4.5458  23.168  3.1840  -7.800488      5.549953 
1 1 1 7   -26 27 o 32.203  2.1484  143.320   18.264    142.340   26.725    144.178   25.018    32.062  3.1527  32.345  2.9193  -0.2825661     4.296720 
1 1 1 7   -26 28 o 60.218  2.0492  496.836   33.023    495.162   47.636    498.384   45.821    60.091  2.9596  60.344  2.8349  -0.2533951     4.098324 
1 1 1 7   -26 29 o 27.769  2.4070  108.186   17.499    116.194   25.115    100.632   24.394    28.813  3.3148  26.726  3.4911  2.086514       4.814072 
1 1 1 7   -26 30 o 27.999  2.4549  111.260   17.878    101.702   25.930    119.921   24.683    26.726  3.7235  29.272  3.2004  -2.545937      4.909862 
1 1 1 7   -26 31 o 50.726  2.1053  357.011   28.463    361.099   41.024    353.217   39.525    50.983  3.0176  50.470  2.9365  0.5132523      4.210556 
1 1 1 7   -26 32 o 15.233  3.3937  34.421    15.534    30.542    22.554    37.922    21.427    14.570  4.8943  15.895  4.7026  -1.325428      6.787395 
1 1 1 7   -26 33 o 39.435  2.2887  220.167   23.843    246.140   34.081    195.271   33.367    41.836  3.0627  37.033  3.4019  4.802826       4.577422 
1 1 1 7   -26 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -26 35 o 24.317  3.1409  91.194    19.648    82.175    28.063    99.864    27.517    22.903  4.7312  25.731  4.1325  -2.827816      6.281887 
1 1 1 7   -26 36 o 13.725  3.4408  27.258    16.390    15.881    22.843    39.328    23.530    11.848  4.7435  15.603  4.9856  -3.754705      6.881635 
1 1 1 7   -26 37 o 21.857  3.3328  77.269    18.970    92.140    27.818    64.343    25.936    24.054  4.4826  19.660  4.9333  4.394373       6.665651 
1 1 1 7   -26 38 o 11.062  3.1957  6.3139    16.538    -15.1992  22.804    30.184    24.021    8.4421  3.9647  13.681  5.0131  -5.238942      6.391415 
1 1 1 7   -26 39 o 15.063  3.6633  39.873    18.147    31.397    25.455    48.632    25.876    13.705  5.1347  16.421  5.2262  -2.715781      7.326583 
1 1 1 7   -26 40 o 10.927  3.3391  10.420    17.891    10.788    24.947    10.031    25.673    10.924  4.7047  10.929  4.7396  -0.5432129E-02 6.678185 
1 1 1 7   -26 41 o 15.339  3.6304  40.977    19.953    70.890    28.608    12.644    27.843    19.374  5.3408  11.303  4.9187  8.071462       7.260713 
1 1 1 7   -26 42 o 17.046  3.9184  58.276    21.844    35.845    30.241    82.748    31.586    13.729  5.4708  20.363  5.6113  -6.634289      7.836864 
1 1 1 7   -26 43 f 13.106  3.6922  30.345    20.431    11.766    27.939    51.701    29.954    10.816  4.8079  15.396  5.6047  -4.579663      7.384349 
1 1 1 7   -26 44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 0  o 94.669  2.8332  1211.31   68.730    1191.03   85.264    1248.95   116.137   93.758  3.3952  95.579  4.5365  -1.820511      5.666330 
1 1 1 7   -25 1  o 72.080  2.9732  701.632   57.401    701.632   57.401    0.0000    0.0000    72.080  2.9732  ?       ?       ?              ?        
1 1 1 7   -25 2  o 60.138  2.7864  487.689   44.882    487.689   44.882    0.0000    0.0000    60.138  2.7864  ?       ?       ?              ?        
1 1 1 7   -25 3  o 18.278  3.4351  46.627    16.200    46.627    16.200    0.0000    0.0000    18.278  3.4351  ?       ?       ?              ?        
1 1 1 7   -25 4  o 70.509  2.9168  670.312   55.087    670.312   55.087    0.0000    0.0000    70.509  2.9168  ?       ?       ?              ?        
1 1 1 7   -25 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 10 o 130.109 5.6727  2317.77   197.690   0.0000    0.0000    2317.77   197.690   ?       ?       130.109 5.6727  ?              ?        
1 1 1 7   -25 11 f 51.031  2.8709  351.867   39.082    0.0000    0.0000    351.867   39.082    ?       ?       51.031  2.8709  ?              ?        
1 1 1 7   -25 12 o 107.777 3.2330  1599.98   86.157    1528.11   152.411   1633.74   104.447   105.596 5.4068  109.958 3.5463  -4.362396      6.466066 
1 1 1 7   -25 13 o ?       ?       1549.79   56180.42  1601.08   97311.30  1524.15   68805.27  ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 14 o ?       ?       490.082   93651.19  517.988   132446.20 462.179   132439.30 ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 15 o 45.855  4.1812  287.747   50.790    287.747   50.790    0.0000    0.0000    45.855  4.1812  ?       ?       ?              ?        
1 1 1 7   -25 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 20 o 27.491  2.1950  103.574   15.868    108.223   22.541    99.007    22.341    28.123  3.0408  26.860  3.1662  1.262800       4.389931 
1 1 1 7   -25 21 o 41.175  1.9524  230.209   21.385    243.667   30.423    217.067   30.064    42.383  2.6939  39.967  2.8267  2.416328       3.904770 
1 1 1 7   -25 22 o 36.271  2.0154  179.981   19.312    161.313   27.562    197.985   27.068    34.366  3.0251  38.176  2.6638  -3.810070      4.030756 
1 1 1 7   -25 23 o 41.349  1.9725  232.757   21.700    229.239   31.167    236.066   30.231    41.029  2.8538  41.668  2.7237  -0.6396103     3.944956 
1 1 1 7   -25 24 o 70.924  2.0564  682.958   39.060    689.212   55.765    676.934   54.729    71.238  2.9225  70.610  2.8938  0.6278000      4.112789 
1 1 1 7   -25 25 o 20.260  2.7027  58.550    14.065    53.101    20.587    63.321    19.262    19.274  4.1130  21.246  3.5072  -1.972488      5.405315 
1 1 1 7   -25 26 o 11.074  2.9838  11.757    12.292    16.666    18.398    7.7985    16.522    12.004  4.3890  10.144  4.0433  1.859477       5.967554 
1 1 1 7   -25 27 o 57.656  2.0229  454.175   31.148    439.791   44.599    467.872   43.520    56.696  2.9470  58.615  2.7720  -1.919018      4.045846 
1 1 1 7   -25 28 o 11.282  2.9628  12.777    12.378    4.0868    17.341    21.804    17.674    9.7373  4.0427  12.827  4.3325  -3.089602      5.925695 
1 1 1 7   -25 29 o 48.390  2.0315  320.961   26.192    337.923   37.778    305.261   36.345    49.631  2.8539  47.148  2.8919  2.482304       4.062980 
1 1 1 7   -25 30 o 27.017  2.3989  102.357   16.963    103.235   24.521    101.551   23.491    27.107  3.4559  26.927  3.3279  0.1796818      4.797747 
1 1 1 7   -25 31 o 24.027  2.7068  82.512    16.717    96.733    24.230    69.594    23.094    26.142  3.5524  21.913  4.0850  4.229267       5.413567 
1 1 1 7   -25 32 o 21.225  3.0721  67.493    16.814    55.391    24.723    77.908    22.935    19.191  4.8171  23.258  3.8138  -4.067755      6.144102 
1 1 1 7   -25 33 o 22.089  3.1198  74.461    17.716    54.727    25.872    91.885    24.310    18.909  5.0231  25.269  3.7016  -6.359596      6.239668 
1 1 1 7   -25 34 o 22.527  3.0149  76.940    17.359    106.746   24.905    48.780    24.208    27.275  3.4891  17.780  4.9177  9.494982       6.029703 
1 1 1 7   -25 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -25 36 o 18.802  4.9702  56.642    25.410    0.0000    0.0000    56.642    25.410    ?       ?       18.802  4.9702  ?              ?        
1 1 1 7   -25 37 o 11.448  3.3134  11.129    16.578    21.950    23.747    0.8422    23.154    12.791  4.9205  10.104  4.4388  2.687114       6.626799 
1 1 1 7   -25 38 o 6.9805  2.3703  -29.4478  13.663    -8.0292   18.346    -56.1224  20.474    8.1305  3.7260  5.8305  2.9309  2.299953       4.740623 
1 1 1 7   -25 39 o 11.742  3.0801  7.6430    16.547    42.671    22.910    -30.5548  23.925    15.793  4.9027  7.6905  3.7297  8.102371       6.160107 
1 1 1 7   -25 40 o 31.276  3.0692  159.408   24.623    135.271   35.026    182.989   34.621    28.335  4.7856  34.218  3.8440  -5.882977      6.138305 
1 1 1 7   -25 41 o 9.6999  3.0487  -8.0415   17.639    19.815    24.569    -37.6706  25.339    11.909  4.8640  7.4913  3.6769  4.417228       6.097419 
1 1 1 7   -25 42 o 13.905  3.7742  31.925    21.175    9.8596    29.287    56.094    30.651    11.157  4.9427  16.653  5.7051  -5.495528      7.548427 
1 1 1 7   -25 43 o 13.310  3.7626  31.940    20.994    17.898    30.035    45.354    29.357    11.733  5.1074  14.886  5.5266  -3.153152      7.525185 
1 1 1 7   -25 44 o 14.557  3.9314  45.533    22.383    26.839    31.347    64.980    31.972    12.289  5.2830  16.824  5.8234  -4.535037      7.862726 
1 1 1 7   -25 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -24 0  o 127.243 2.8248  2194.73   96.207    2115.16   136.635   2272.97   135.488   124.921 4.0835  129.564 3.9042  -4.642792      5.649576 
1 1 1 7   -24 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -24 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -24 3  o 79.829  2.6222  862.152   53.327    863.522   66.167    859.614   90.080    80.073  3.0851  79.585  4.2411  0.4886932      5.244493 
1 1 1 7   -24 4  o 82.820  3.1082  923.589   68.948    923.589   68.948    0.0000    0.0000    82.820  3.1082  ?       ?       ?              ?        
1 1 1 7   -24 5  o 134.760 4.1519  2454.79   149.863   2454.79   149.863   0.0000    0.0000    134.760 4.1519  ?       ?       ?              ?        
1 1 1 7   -24 6  o 35.850  2.8084  173.880   26.752    173.880   26.752    0.0000    0.0000    35.850  2.8084  ?       ?       ?              ?        
1 1 1 7   -24 7  o 114.170 3.6635  1757.67   112.031   1757.67   112.031   0.0000    0.0000    114.170 3.6635  ?       ?       ?              ?        
1 1 1 7   -24 8  f 100.768 3.4597  1368.12   93.381    1368.12   93.381    0.0000    0.0000    100.768 3.4597  ?       ?       ?              ?        
1 1 1 7   -24 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -24 10 o 74.930  3.0175  755.382   60.560    0.0000    0.0000    755.382   60.560    ?       ?       74.930  3.0175  ?              ?        
1 1 1 7   -24 11 o 38.177  3.0233  197.319   30.663    0.0000    0.0000    197.319   30.663    ?       ?       38.177  3.0233  ?              ?        
1 1 1 7   -24 12 o 67.256  2.9041  608.451   52.315    0.0000    0.0000    608.451   52.315    ?       ?       67.256  2.9041  ?              ?        
1 1 1 7   -24 13 f 37.494  2.9384  190.284   29.273    0.0000    0.0000    190.284   29.273    ?       ?       37.494  2.9384  ?              ?        
1 1 1 7   -24 14 o 13.477  3.2801  22.945    13.908    13.324    26.030    26.788    16.453    12.986  5.1069  13.968  4.1176  -0.9818487     6.560113 
1 1 1 7   -24 15 o 53.852  1.9486  391.008   28.002    387.406   38.982    394.848   40.249    53.600  2.7243  54.105  2.7868  -0.5050201     3.897185 
1 1 1 7   -24 16 o 45.044  1.9727  274.564   23.638    288.141   33.056    260.355   33.815    46.205  2.6825  43.884  2.8931  2.321022       3.945382 
1 1 1 7   -24 17 o 105.596 2.4486  1505.41   69.244    1527.02   97.512    1483.43   98.343    106.370 3.4225  104.822 3.5027  1.548279       4.897218 
1 1 1 7   -24 18 o 114.172 2.5668  1762.04   78.492    1756.90   110.605   1767.26   111.409   114.007 3.6221  114.338 3.6378  -0.3310165     5.133522 
1 1 1 7   -24 19 o 117.903 2.6469  1881.96   83.584    1906.88   118.067   1856.93   118.344   118.696 3.7137  117.111 3.7728  1.584831       5.293887 
1 1 1 7   -24 20 o 38.216  1.9655  197.884   19.979    201.580   28.324    194.225   28.186    38.576  2.7595  37.856  2.7996  0.7204018      3.930975 
1 1 1 7   -24 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -24 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -24 23 o 68.746  2.0192  639.260   37.163    623.505   52.895    654.619   52.224    67.897  2.9085  69.595  2.8016  -1.698128      4.038372 
1 1 1 7   -24 24 o 32.332  2.1066  142.520   17.845    170.079   25.979    117.898   24.555    35.354  2.7655  29.311  3.1786  6.043142       4.213233 
1 1 1 7   -24 25 o 39.091  2.0113  209.453   20.766    187.027   29.875    230.421   28.887    36.997  3.0417  41.186  2.6323  -4.189644      4.022525 
1 1 1 7   -24 26 o 43.883  2.0034  263.946   23.271    238.469   33.589    287.462   32.271    41.775  3.0223  45.992  2.6306  -4.216423      4.006766 
1 1 1 7   -24 27 o 43.932  2.0454  265.889   23.703    233.922   34.333    295.002   32.764    41.305  3.1265  46.559  2.6381  -5.254074      4.090775 
1 1 1 7   -24 28 o 31.606  2.1878  137.481   18.269    144.781   26.369    130.744   25.334    32.425  3.0729  30.787  3.1150  1.637718       4.375608 
1 1 1 7   -24 29 o 40.104  2.1065  221.902   22.344    200.668   31.990    242.129   31.223    38.151  3.1590  42.058  2.7874  -3.906784      4.212932 
1 1 1 7   -24 30 o 25.176  2.6296  90.193    17.035    82.001    24.988    97.307    23.285    23.968  4.0358  26.383  3.3721  -2.415571      5.259132 
1 1 1 7   -24 31 o 10.212  2.9159  6.7197    12.447    12.097    17.959    1.7487    17.266    11.063  4.2724  9.3611  3.9692  1.701784       5.831702 
1 1 1 7   -24 32 o 43.278  2.1733  259.382   25.023    263.120   35.857    255.833   34.937    43.575  3.0923  42.982  3.0545  0.5928383      4.346566 
1 1 1 7   -24 33 o 12.693  2.8804  11.180    14.300    -18.8980  19.505    46.127    21.025    7.7685  3.6542  17.617  4.4534  -9.848549      5.760721 
1 1 1 7   -24 34 o 36.375  2.4026  186.924   23.135    189.696   32.785    184.174   32.653    36.657  3.3771  36.093  3.4183  0.5637283      4.805143 
1 1 1 7   -24 35 f 25.357  2.8768  94.345    18.822    105.205   27.282    84.482    26.000    26.856  3.9073  23.857  4.2234  2.999296       5.753582 
1 1 1 7   -24 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -24 37 o 13.604  3.6410  25.394    18.084    24.289    27.965    26.187    23.709    13.640  5.3136  13.568  4.9792  0.7224083E-01  7.281948 
1 1 1 7   -24 38 o 12.968  3.5166  22.112    17.372    31.139    25.124    13.843    24.048    14.226  5.1400  11.709  4.8008  2.516767       7.033272 
1 1 1 7   -24 39 o 11.762  3.4417  14.599    17.608    12.842    23.693    16.767    26.316    11.375  4.7243  12.149  5.0063  -0.7737484     6.883471 
1 1 1 7   -24 40 o 13.858  3.5483  30.624    17.858    44.470    24.822    15.769    25.711    15.932  5.1238  11.785  4.9102  4.146825       7.096690 
1 1 1 7   -24 41 o 15.081  3.5518  38.455    18.701    62.067    26.376    14.585    26.520    18.589  5.1298  11.573  4.9140  7.015695       7.103669 
1 1 1 7   -24 42 o 15.629  3.8894  46.948    20.221    47.626    28.061    46.215    29.164    15.771  5.4558  15.488  5.5447  0.2829046      7.778750 
1 1 1 7   -24 43 o 20.759  3.7851  83.792    23.780    129.244   34.347    41.947    32.956    26.966  4.9373  14.551  5.7387  12.41457       7.570275 
1 1 1 7   -24 44 o 23.866  3.8399  114.761   24.963    76.469    35.233    153.361   35.374    18.311  6.1174  29.420  4.6430  -11.10852      7.679843 
1 1 1 7   -24 45 o 12.730  5.3657  33.203    31.251    33.203    31.251    0.0000    0.0000    12.730  5.3657  ?       ?       ?              ?        
1 1 1 7   -24 46 o 9.4855  3.1250  0.0056    20.161    17.180    27.289    -20.6317  29.914    10.580  4.7239  8.3911  4.0922  2.188809       6.249905 
1 1 1 7   -23 0  o 127.362 2.8137  2189.97   95.983    2196.14   136.387   2183.92   135.104   127.536 3.9925  127.188 3.9658  0.3483353      5.627466 
1 1 1 7   -23 1  o 217.064 4.2959  6421.89   249.661   6658.67   354.145   6187.96   352.013   221.101 5.9800  213.027 6.1693  8.073074       8.591892 
1 1 1 7   -23 2  o 105.155 2.5027  1489.45   70.479    1469.25   100.098   1509.31   99.252    104.442 3.5782  105.869 3.5001  -1.427345      5.005404 
1 1 1 7   -23 3  o 38.390  1.9520  199.360   19.885    183.520   28.134    215.175   28.110    36.842  2.8737  39.937  2.6427  -3.094959      3.904094 
1 1 1 7   -23 4  f 55.970  1.9345  420.802   28.998    412.294   40.886    429.412   41.133    55.399  2.7554  56.540  2.7161  -1.140858      3.869004 
1 1 1 7   -23 5  o 85.558  2.8111  1028.08   59.712    1112.28   73.988    870.784   101.126   90.969  3.0365  80.148  4.7317  10.82113       5.622192 
1 1 1 7   -23 6  o 109.215 3.5318  1605.03   103.316   1605.03   103.316   0.0000    0.0000    109.215 3.5318  ?       ?       ?              ?        
1 1 1 7   -23 7  o 111.240 3.6196  1665.32   107.848   1665.32   107.848   0.0000    0.0000    111.240 3.6196  ?       ?       ?              ?        
1 1 1 7   -23 8  o 48.330  2.7435  314.690   35.368    314.690   35.368    0.0000    0.0000    48.330  2.7435  ?       ?       ?              ?        
1 1 1 7   -23 9  f 119.384 3.7950  1918.86   121.352   1918.86   121.352   0.0000    0.0000    119.384 3.7950  ?       ?       ?              ?        
1 1 1 7   -23 10 o 66.749  2.9009  598.543   51.864    598.543   51.864    0.0000    0.0000    66.749  2.9009  ?       ?       ?              ?        
1 1 1 7   -23 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -23 12 o 83.529  3.0786  937.810   68.878    0.0000    0.0000    937.810   68.878    ?       ?       83.529  3.0786  ?              ?        
1 1 1 7   -23 13 o 131.467 3.9605  2329.18   139.462   0.0000    0.0000    2329.18   139.462   ?       ?       131.467 3.9605  ?              ?        
1 1 1 7   -23 14 o 173.711 4.9434  4082.40   230.005   0.0000    0.0000    4082.40   230.005   ?       ?       173.711 4.9434  ?              ?        
1 1 1 7   -23 15 o 161.892 4.6806  3543.88   202.964   0.0000    0.0000    3543.88   202.964   ?       ?       161.892 4.6806  ?              ?        
1 1 1 7   -23 16 o 162.947 3.3221  3592.70   144.994   3599.77   204.810   3585.58   205.296   163.111 4.6879  162.782 4.7085  0.3290558      6.644290 
1 1 1 7   -23 17 o 45.834  1.9312  283.589   23.571    267.578   33.307    299.651   33.362    44.523  2.8073  47.145  2.6527  -2.621281      3.862385 
1 1 1 7   -23 18 o 47.827  1.9336  308.668   24.658    299.613   34.914    317.680   34.829    47.119  2.7787  48.535  2.6896  -1.416019      3.867182 
1 1 1 7   -23 19 o 67.726  2.0108  617.295   36.468    601.350   51.558    633.258   51.588    66.846  2.8796  68.605  2.8074  -1.758789      4.021633 
1 1 1 7   -23 20 o 80.394  2.1200  870.720   45.642    851.193   64.545    890.250   64.550    79.487  3.0317  81.301  2.9643  -1.813751      4.240021 
1 1 1 7   -23 21 o 70.360  2.0348  666.811   38.322    700.019   54.637    634.655   53.765    72.091  2.8296  68.630  2.9248  3.461655       4.069532 
1 1 1 7   -23 22 o 57.449  1.9331  444.763   29.734    440.190   42.509    449.144   41.606    57.154  2.7768  57.744  2.6900  -0.5893059     3.866142 
1 1 1 7   -23 23 o 14.298  3.0377  27.874    13.012    17.738    18.867    37.068    17.970    12.392  4.4572  16.204  4.1285  -3.812228      6.075460 
1 1 1 7   -23 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -23 25 o 56.085  2.4248  423.635   33.911    440.920   60.145    415.580   41.060    56.715  3.9846  55.454  2.7643  1.260258       4.849570 
1 1 1 7   -23 26 o 20.245  2.7744  58.843    14.417    45.081    20.753    71.680    20.043    17.771  4.3864  22.719  3.3982  -4.947113      5.548719 
1 1 1 7   -23 27 o 25.816  2.4337  94.610    15.936    76.268    23.566    110.066   21.633    23.291  3.9165  28.342  2.8901  -5.051311      4.867433 
1 1 1 7   -23 28 o 60.803  2.0451  504.439   33.152    474.625   47.650    532.411   46.155    58.977  3.0266  62.629  2.7514  -3.652252      4.090282 
1 1 1 7   -23 29 o 38.483  2.0956  202.888   21.422    205.513   30.902    200.460   29.724    38.712  3.0038  38.254  2.9230  0.4578552      4.191272 
1 1 1 7   -23 30 o 31.079  2.2566  133.743   18.492    130.112   26.571    137.153   25.752    30.635  3.2896  31.523  3.0897  -0.8880215     4.513112 
1 1 1 7   -23 31 o 27.753  2.4344  107.504   17.688    114.185   25.512    101.321   24.545    28.608  3.3957  26.897  3.4892  1.711359       4.868819 
1 1 1 7   -23 32 o 15.116  3.3158  32.675    14.845    30.534    21.261    34.712    20.736    14.730  4.7425  15.501  4.6355  -0.7711744     6.631697 
1 1 1 7   -23 33 o 7.0734  2.3655  -18.5606  11.891    -23.0193  17.362    -14.6209  16.320    6.8871  3.2984  7.2597  3.3915  -0.3726339     4.730949 
1 1 1 7   -23 34 o 20.262  3.1305  61.263    16.534    52.602    23.909    69.201    22.890    18.727  4.7573  21.797  4.0705  -3.070021      6.261017 
1 1 1 7   -23 35 o 21.452  3.1867  68.927    17.736    61.910    25.059    75.972    25.107    20.236  4.7112  22.668  4.2924  -2.431532      6.373410 
1 1 1 7   -23 36 o 7.8249  2.5782  -20.4709  13.574    -35.5227  18.487    -2.8661   19.994    6.3565  3.1241  9.2933  4.1021  -2.936793      5.156308 
1 1 1 7   -23 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -23 38 o 36.740  2.6992  201.001   25.868    176.637   37.300    223.578   35.905    34.255  4.1500  39.225  3.4526  -4.970406      5.398430 
1 1 1 7   -23 39 o 16.261  3.6661  42.423    18.672    60.484    27.546    27.070    25.396    18.944  5.2481  13.579  5.1205  5.364873       7.332287 
1 1 1 7   -23 40 o 21.686  3.3314  79.395    20.936    28.572    28.924    135.329   30.344    13.733  5.3889  29.639  3.9183  -15.90565      6.662797 
1 1 1 7   -23 41 o 21.403  3.7656  81.948    21.585    89.447    30.181    74.095    30.882    22.715  5.0870  20.091  5.5534  2.623562       7.531106 
1 1 1 7   -23 42 o 27.758  3.5491  135.267   25.135    156.304   34.866    112.507   36.267    30.898  4.3320  24.619  5.6231  6.278606       7.098270 
1 1 1 7   -23 43 o 18.895  3.8362  70.320    22.437    97.234    30.978    40.622    32.541    23.223  5.1181  14.567  5.7159  8.656425       7.672423 
1 1 1 7   -23 44 o 21.525  4.0259  92.831    23.703    103.223   33.773    82.743    33.274    23.056  5.5381  19.994  5.8447  3.062475       8.051822 
1 1 1 7   -23 45 o 20.333  3.9356  87.094    23.750    123.286   34.639    54.988    32.626    25.157  5.3076  15.508  5.8126  9.648458       7.871291 
1 1 1 7   -23 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -22 0  o 141.931 3.0114  2715.77   114.461   2789.22   162.627   2643.67   161.129   143.841 4.2211  140.021 4.2963  3.819778       6.022891 
1 1 1 7   -22 1  o 199.793 3.9627  5404.21   212.045   5344.37   300.597   5463.48   299.162   198.675 5.6488  200.911 5.5592  -2.236145      7.925482 
1 1 1 7   -22 2  o 125.669 2.7831  2126.54   93.637    2062.36   132.861   2189.88   131.988   123.773 4.0076  127.565 3.8629  -3.792557      5.566231 
1 1 1 7   -22 3  o 282.544 5.3779  10883.82  406.939   10693.79  576.231   11072.88  574.770   280.033 7.6824  285.055 7.5279  -5.021912      10.75589 
1 1 1 7   -22 4  o 54.625  1.9173  401.023   28.002    408.123   39.604    393.925   39.597    55.144  2.6813  54.105  2.7413  1.039326       3.834608 
1 1 1 7   -22 5  f 185.310 3.7073  4636.19   183.992   4581.17   260.884   4690.63   259.528   184.204 5.2876  186.417 5.1977  -2.213120      7.414504 
1 1 1 7   -22 6  f 143.178 3.0116  2759.58   115.489   2792.94   163.881   2726.66   162.778   144.040 4.2477  142.316 4.2702  1.723404       6.023129 
1 1 1 7   -22 7  o 93.435  2.2932  1173.06   57.356    1220.99   81.191    1125.31   81.036    95.346  3.1792  91.524  3.3056  3.822815       4.586314 
1 1 1 7   -22 8  o 91.459  3.2144  1123.54   78.745    1123.54   78.745    0.0000    0.0000    91.459  3.2144  ?       ?       ?              ?        
1 1 1 7   -22 9  o 101.185 3.4034  1375.70   92.240    1375.70   92.240    0.0000    0.0000    101.185 3.4034  ?       ?       ?              ?        
1 1 1 7   -22 10 o 143.768 4.2482  2782.54   163.590   2782.54   163.590   0.0000    0.0000    143.768 4.2482  ?       ?       ?              ?        
1 1 1 7   -22 11 o 167.631 4.7893  3788.70   215.039   3788.70   215.039   0.0000    0.0000    167.631 4.7893  ?       ?       ?              ?        
1 1 1 7   -22 12 o 120.755 3.7319  1961.06   120.704   1961.06   120.704   0.0000    0.0000    120.755 3.7319  ?       ?       ?              ?        
1 1 1 7   -22 13 o 132.685 4.0496  2369.80   143.919   0.0000    0.0000    2369.80   143.919   ?       ?       132.685 4.0496  ?              ?        
1 1 1 7   -22 14 f 86.136  3.0831  996.681   71.130    0.0000    0.0000    996.681   71.130    ?       ?       86.136  3.0831  ?              ?        
1 1 1 7   -22 15 o 52.152  2.7563  366.201   38.365    0.0000    0.0000    366.201   38.365    ?       ?       52.152  2.7563  ?              ?        
1 1 1 7   -22 16 o 105.125 3.3891  1486.13   95.429    0.0000    0.0000    1486.13   95.429    ?       ?       105.125 3.3891  ?              ?        
1 1 1 7   -22 17 f 76.486  2.5984  797.138   49.563    764.974   86.438    812.893   60.496    75.190  4.3100  77.783  2.9037  -2.593781      5.196830 
1 1 1 7   -22 18 o 77.412  2.0668  805.488   42.842    829.264   60.707    781.898   60.469    78.554  2.8852  76.270  2.9600  2.283295       4.133530 
1 1 1 7   -22 19 o 109.734 2.4779  1621.77   72.827    1607.69   103.134   1635.77   102.853   109.256 3.5242  110.213 3.4842  -0.9570236     4.955769 
1 1 1 7   -22 20 o 58.152  1.9291  454.638   30.045    448.339   42.556    460.898   42.423    57.749  2.7513  58.556  2.7048  -0.8069801     3.858168 
1 1 1 7   -22 21 o 78.717  2.0953  833.649   44.170    855.331   63.121    812.846   61.829    79.721  2.9561  77.714  2.9704  2.006981       4.190631 
1 1 1 7   -22 22 o 101.228 2.4010  1382.12   65.094    1396.73   92.752    1367.94   91.378    101.753 3.4032  100.702 3.3878  1.051010       4.801950 
1 1 1 7   -22 23 o 64.223  2.0020  555.469   34.432    558.987   49.260    552.108   48.148    64.419  2.8549  64.027  2.8075  0.3915405      4.004098 
1 1 1 7   -22 24 o 16.859  2.9063  41.000    13.895    18.728    20.242    60.849    19.109    12.787  4.6146  20.930  3.5344  -8.142756      5.812601 
1 1 1 7   -22 25 o 32.980  2.5526  156.905   20.824    186.342   27.319    116.075   32.173    37.066  2.7717  28.894  4.2872  8.171940       5.105134 
1 1 1 7   -22 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -22 27 o 55.869  1.9893  422.923   29.689    420.195   42.797    425.453   41.221    55.646  2.8813  56.093  2.7436  -0.4469986     3.978593 
1 1 1 7   -22 28 o 10.145  2.8274  5.6337    12.090    -6.7116   17.610    16.642    16.628    8.5090  3.7973  11.781  4.1901  -3.272483      5.654758 
1 1 1 7   -22 29 o 7.7383  2.4747  -12.4904  11.387    0.4585    16.722    -23.6868  15.549    9.1274  3.8893  6.3492  3.0611  2.778197       4.949467 
1 1 1 7   -22 30 o 14.379  3.1614  28.396    13.602    35.044    19.687    22.325    18.815    15.660  4.4719  13.097  4.4699  2.562456       6.322820 
1 1 1 7   -22 31 o 37.027  2.1915  189.133   21.486    180.860   30.917    196.862   29.881    36.196  3.2226  37.858  2.9706  -1.661186      4.382918 
1 1 1 7   -22 32 o 42.053  2.1798  243.547   24.347    245.621   35.449    241.696   33.497    42.194  3.1596  41.912  3.0038  0.2813263      4.359578 
1 1 1 7   -22 33 o 39.158  2.2327  212.080   23.197    217.900   33.683    206.829   31.994    39.655  3.1983  38.662  3.1160  0.9935989      4.465324 
1 1 1 7   -22 34 o 30.523  2.5030  131.148   20.074    134.033   28.944    128.473   27.864    30.837  3.5703  30.209  3.5091  0.6284466      5.006083 
1 1 1 7   -22 35 o 18.612  3.2220  51.213    16.450    71.862    23.947    32.762    22.637    22.160  4.1881  15.065  4.8976  7.095094       6.444074 
1 1 1 7   -22 36 o 31.045  2.6139  138.132   21.305    138.117   30.416    138.147   29.851    31.022  3.7356  31.067  3.6573  -0.4539680E-01 5.227836 
1 1 1 7   -22 37 o 30.545  2.7388  135.963   21.886    130.517   30.884    141.457   31.020    29.871  3.9575  31.220  3.7870  -1.348911      5.477553 
1 1 1 7   -22 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -22 39 o 19.274  3.5322  59.809    19.309    36.685    26.557    85.745    28.125    15.224  5.3052  23.324  4.6650  -8.099861      7.064489 
1 1 1 7   -22 40 o 12.742  3.4195  18.504    17.295    39.677    25.472    0.3913    23.559    15.446  5.2013  10.037  4.4405  5.409005       6.838943 
1 1 1 7   -22 41 f 27.600  3.2817  124.233   23.332    111.610   32.485    137.685   33.534    25.895  4.8622  29.305  4.4087  -3.410692      6.563332 
1 1 1 7   -22 42 o 10.861  3.2900  6.2930    17.683    -8.4061   24.143    23.304    25.973    9.1210  4.2140  12.601  5.0535  -3.480522      6.579946 
1 1 1 7   -22 43 o 9.7265  3.1151  -1.0376   17.458    -0.7621   24.228    -1.3351   25.178    9.6791  4.3753  9.7740  4.4352  -0.9491730E-01 6.230146 
1 1 1 7   -22 44 o 12.247  3.5354  18.616    19.419    -0.5932   26.606    40.516    28.408    9.9395  4.5291  14.555  5.4299  -4.615129      7.070871 
1 1 1 7   -22 45 o 15.050  4.0351  48.189    22.533    40.285    31.379    56.604    32.376    14.050  5.5811  16.050  5.8293  -2.000409      8.070284 
1 1 1 7   -22 46 o 11.342  4.9878  19.083    29.301    19.083    29.301    0.0000    0.0000    11.342  4.9878  ?       ?       ?              ?        
1 1 1 7   -22 47 o 11.346  3.1219  25.666    14.985    4.4091    28.726    33.613    17.564    9.6653  4.5100  13.028  4.3179  -3.362288      6.243748 
1 1 1 7   -21 0  o 142.842 3.0734  2748.04   117.523   2656.05   166.750   2838.83   165.661   140.451 4.4325  145.233 4.2586  -4.782242      6.146780 
1 1 1 7   -21 1  o 226.020 4.3941  6910.90   266.002   6854.08   376.952   6967.26   375.419   225.080 6.2526  226.959 6.1756  -1.878799      8.788228 
1 1 1 7   -21 2  o 86.258  2.1681  998.753   50.055    1051.73   71.309    947.292   70.279    88.517  3.0076  84.000  3.1236  4.517410       4.336228 
1 1 1 7   -21 3  o 162.584 3.3051  3559.87   143.900   3494.71   204.132   3624.24   202.884   161.094 4.7309  164.074 4.6165  -2.979813      6.610120 
1 1 1 7   -21 4  o 111.149 2.4911  1659.60   74.158    1651.11   105.341   1667.93   104.416   110.866 3.5474  111.433 3.4984  -0.5678558     4.982226 
1 1 1 7   -21 5  o 82.307  2.1584  909.282   47.582    909.786   67.567    908.786   67.020    82.328  3.0640  82.285  3.0409  0.4386902E-01  4.316851 
1 1 1 7   -21 6  o 135.374 2.8627  2464.66   103.767   2403.11   147.129   2525.58   146.371   133.684 4.1090  137.064 3.9870  -3.380417      5.725331 
1 1 1 7   -21 7  o 87.299  2.1931  1023.02   51.281    1024.67   72.547    1021.36   72.497    87.370  3.1000  87.228  3.1029  0.1413269      4.386157 
1 1 1 7   -21 8  o 94.260  2.3186  1193.43   58.479    1126.82   82.380    1261.09   83.029    91.602  3.3576  96.919  3.1984  -5.316254      4.637138 
1 1 1 7   -21 9  o 13.563  2.9160  24.068    12.851    38.221    16.924    4.7950    19.749    16.533  3.8872  10.593  4.3478  5.939906       5.832080 
1 1 1 7   -21 10 o 228.450 6.1861  7055.77   378.528   7055.77   378.528   0.0000    0.0000    228.450 6.1861  ?       ?       ?              ?        
1 1 1 7   -21 11 f 235.538 6.3584  7505.69   401.140   7505.69   401.140   0.0000    0.0000    235.538 6.3584  ?       ?       ?              ?        
1 1 1 7   -21 12 o 128.403 3.8559  2216.53   132.616   2216.53   132.616   0.0000    0.0000    128.403 3.8559  ?       ?       ?              ?        
1 1 1 7   -21 13 o 86.786  3.0340  1011.15   70.528    1011.15   70.528    0.0000    0.0000    86.786  3.0340  ?       ?       ?              ?        
1 1 1 7   -21 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -21 15 o 77.970  2.9270  816.144   61.129    0.0000    0.0000    816.144   61.129    ?       ?       77.970  2.9270  ?              ?        
1 1 1 7   -21 16 o 47.689  2.6508  306.150   33.727    0.0000    0.0000    306.150   33.727    ?       ?       47.689  2.6508  ?              ?        
1 1 1 7   -21 17 o 56.817  2.6483  433.275   40.303    0.0000    0.0000    433.275   40.303    ?       ?       56.817  2.6483  ?              ?        
1 1 1 7   -21 18 o 93.302  3.1050  1169.61   77.597    0.0000    0.0000    1169.61   77.597    ?       ?       93.302  3.1050  ?              ?        
1 1 1 7   -21 19 o 127.440 2.7384  2187.18   93.462    2152.46   132.508   2221.55   131.844   126.427 3.9131  128.454 3.8320  -2.027267      5.476877 
1 1 1 7   -21 20 o 66.559  1.9685  595.026   35.086    599.280   50.214    590.968   49.044    66.789  2.8069  66.328  2.7606  0.4614105      3.936935 
1 1 1 7   -21 21 o 11.186  2.7756  7.7789    12.656    -17.6761  18.726    29.187    17.173    7.8274  3.6487  14.545  4.1836  -6.718003      5.551198 
1 1 1 7   -21 22 o 97.702  2.3419  1285.37   61.277    1291.31   87.458    1279.65   85.882    97.920  3.3346  97.485  3.2891  0.4356689      4.683753 
1 1 1 7   -21 23 o 7.1420  2.3617  -17.7960  11.483    -27.2509  16.488    -8.8906   16.002    6.4288  3.1125  7.8552  3.5529  -1.426309      4.723406 
1 1 1 7   -21 24 o 113.851 2.5899  1750.95   78.971    1766.03   112.670   1736.39   110.720   114.328 3.6793  113.373 3.6461  0.9543686      5.179898 
1 1 1 7   -21 25 o 41.459  2.0169  233.715   22.137    220.075   32.408    245.645   30.310    40.286  3.0255  42.631  2.6679  -2.344105      4.033719 
1 1 1 7   -21 26 f 38.228  2.0457  198.465   20.753    194.454   30.062    202.117   28.686    37.840  2.9904  38.616  2.7922  -0.7767715     4.091302 
1 1 1 7   -21 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -21 28 o 45.573  2.5442  291.891   28.602    262.266   49.160    307.052   35.167    43.569  4.2674  47.577  2.7716  -4.008770      5.088437 
1 1 1 7   -21 29 o 56.367  2.0573  431.638   30.971    424.664   44.565    438.154   43.072    55.869  2.9889  56.865  2.8278  -0.9965363     4.114654 
1 1 1 7   -21 30 o 23.327  2.6842  76.532    16.155    75.035    23.551    77.863    22.203    23.062  3.9549  23.591  3.6302  -0.5288467     5.368399 
1 1 1 7   -21 31 o 9.7210  2.7969  -4.2637   12.988    18.689    19.163    -23.7676  17.665    12.475  4.4915  6.9674  3.3343  5.507299       5.593861 
1 1 1 7   -21 32 o 24.857  2.7073  87.314    17.079    112.679   24.945    64.935    23.432    28.471  3.3343  21.243  4.2662  7.227707       5.414596 
1 1 1 7   -21 33 o 11.373  2.9184  10.411    13.192    28.460    18.191    -9.6128   19.160    14.189  4.3626  8.5577  3.8776  5.631077       5.836809 
1 1 1 7   -21 34 o 22.955  2.9160  75.920    17.267    75.899    24.207    75.941    24.638    22.966  4.0849  22.943  4.1625  0.2266312E-01  5.832100 
1 1 1 7   -21 35 o 39.488  2.3681  219.177   24.605    193.320   35.246    243.756   34.365    37.064  3.5956  41.912  3.0828  -4.847458      4.736233 
1 1 1 7   -21 36 o 30.646  2.6187  133.949   21.054    135.913   29.645    131.950   29.908    30.900  3.6524  30.392  3.7538  0.5081005      5.237453 
1 1 1 7   -21 37 o 20.818  3.3504  66.067    18.285    71.757    25.753    60.282    25.967    21.827  4.5522  19.809  4.9171  2.018383       6.700773 
1 1 1 7   -21 38 o 29.094  2.8017  124.411   21.262    124.164   29.810    124.667   30.335    29.086  3.9267  29.102  3.9973  -0.1547432E-01 5.603306 
1 1 1 7   -21 39 o 20.095  5.1676  65.315    27.970    0.0000    0.0000    65.315    27.970    ?       ?       20.095  5.1676  ?              ?        
1 1 1 7   -21 40 o 34.221  2.8264  177.032   25.392    169.970   35.954    184.060   35.867    33.436  4.1006  35.007  3.8910  -1.570934      5.652872 
1 1 1 7   -21 41 o 8.5732  2.7127  -22.2514  15.394    13.940    20.748    -66.5659  22.959    11.132  4.4982  6.0143  3.0333  5.117922       5.425387 
1 1 1 7   -21 42 o 24.810  3.5889  105.660   23.044    112.278   32.578    99.031    32.601    25.811  4.8914  23.809  5.2531  2.001804       7.177827 
1 1 1 7   -21 43 o 7.9068  2.6612  -24.7647  16.358    -4.3923   21.637    -51.9440  24.992    8.9650  4.0848  6.8486  3.4121  2.116440       5.322416 
1 1 1 7   -21 44 o 18.993  4.2928  70.997    25.523    45.129    33.184    108.461   39.936    15.130  5.8175  22.856  6.3142  -7.725916      8.585551 
1 1 1 7   -21 45 o 11.507  3.3061  19.113    14.769    20.874    28.670    18.477    17.232    12.021  5.1068  10.993  4.2004  1.027853       6.612299 
1 1 1 7   -21 46 o 7.9063  2.6699  -26.3635  13.017    14.519    25.612    -40.6024  15.115    10.846  4.7188  4.9663  2.4993  5.880004       5.339781 
1 1 1 7   -21 47 o 14.794  4.4774  42.787    19.261    0.0000    0.0000    42.787    19.261    ?       ?       14.794  4.4774  ?              ?        
1 1 1 7   -20 0  o 118.668 2.6343  1891.81   83.728    1895.14   119.036   1888.55   117.792   118.770 3.7418  118.566 3.7091  0.2033768      5.268633 
1 1 1 7   -20 1  o 124.204 2.7102  2073.06   90.145    2046.97   128.148   2098.62   126.832   123.425 3.8763  124.982 3.7887  -1.556755      5.420341 
1 1 1 7   -20 2  o 122.429 2.6971  2014.75   88.402    1954.90   125.580   2073.55   124.465   120.618 3.8870  124.240 3.7402  -3.621826      5.394276 
1 1 1 7   -20 3  o 42.359  1.8887  241.628   21.319    242.415   30.078    240.834   30.221    42.429  2.6601  42.288  2.6820  0.1410789      3.777443 
1 1 1 7   -20 4  o 99.973  2.3542  1342.08   63.024    1315.33   89.426    1368.48   88.836    98.980  3.3731  100.967 3.2849  -1.986351      4.708308 
1 1 1 7   -20 5  o 41.660  1.8846  233.889   20.905    239.824   29.321    227.752   29.815    42.205  2.6064  41.115  2.7227  1.090359       3.769194 
1 1 1 7   -20 6  o 179.630 3.5892  4346.85   172.648   4243.52   244.438   4449.70   243.887   177.486 5.1418  181.774 5.0092  -4.287476      7.178450 
1 1 1 7   -20 7  o 130.239 2.7960  2279.79   97.523    2240.09   137.977   2319.42   137.859   129.102 3.9901  131.376 3.9177  -2.274429      5.591909 
1 1 1 7   -20 8  o 189.007 3.7653  4815.03   190.613   4762.95   269.529   4867.14   269.606   187.978 5.3532  190.036 5.2967  -2.057648      7.530696 
1 1 1 7   -20 9  o 90.712  2.2037  1104.41   53.542    1097.19   75.323    1111.79   76.123    90.413  3.1103  91.012  3.1227  -0.5986938     4.407415 
1 1 1 7   -20 10 o 105.057 2.3880  1482.23   67.185    1495.81   94.454    1468.32   95.584    105.547 3.3410  104.567 3.4127  0.9801712      4.775906 
1 1 1 7   -20 11 o 122.280 3.2426  2034.18   99.767    2078.00   122.481   1947.79   171.984   124.366 3.6769  120.195 5.3421  4.171562       6.485178 
1 1 1 7   -20 12 o 103.467 3.3368  1437.54   92.474    1437.54   92.474    0.0000    0.0000    103.467 3.3368  ?       ?       ?              ?        
1 1 1 7   -20 13 o 98.284  3.2296  1296.97   85.021    1296.97   85.021    0.0000    0.0000    98.284  3.2296  ?       ?       ?              ?        
1 1 1 7   -20 14 o 106.043 3.3802  1510.28   96.008    1510.28   96.008    0.0000    0.0000    106.043 3.3802  ?       ?       ?              ?        
1 1 1 7   -20 15 o 124.851 3.7479  2095.11   125.336   2095.11   125.336   0.0000    0.0000    124.851 3.7479  ?       ?       ?              ?        
1 1 1 7   -20 16 o 120.656 3.7404  1956.86   120.881   0.0000    0.0000    1956.86   120.881   ?       ?       120.656 3.7404  ?              ?        
1 1 1 7   -20 17 o 90.579  3.1407  1101.76   76.197    0.0000    0.0000    1101.76   76.197    ?       ?       90.579  3.1407  ?              ?        
1 1 1 7   -20 18 o 105.562 3.3984  1497.34   96.088    0.0000    0.0000    1497.34   96.088    ?       ?       105.562 3.3984  ?              ?        
1 1 1 7   -20 19 o 73.384  2.8589  723.025   56.194    0.0000    0.0000    723.025   56.194    ?       ?       73.384  2.8589  ?              ?        
1 1 1 7   -20 20 o 65.491  1.9631  576.040   34.414    571.023   49.463    580.747   47.911    65.211  2.8318  65.771  2.7196  -0.5596771     3.926285 
1 1 1 7   -20 21 o 190.161 3.7493  4892.42   190.960   4868.83   270.869   4915.73   269.255   189.695 5.3311  190.627 5.2734  -0.9324188     7.498586 
1 1 1 7   -20 22 o 69.565  2.0122  649.855   37.464    659.359   54.210    641.166   51.834    70.048  2.8893  69.082  2.8013  0.9661865      4.024351 
1 1 1 7   -20 23 o 29.982  2.2722  122.549   17.911    118.754   26.029    125.963   24.686    29.514  3.3520  30.450  3.0685  -0.9356270     4.544436 
1 1 1 7   -20 24 o 107.666 2.5319  1563.72   72.982    1536.75   104.205   1589.68   102.246   106.741 3.6448  108.590 3.5153  -1.849358      5.063772 
1 1 1 7   -20 25 o 55.099  2.0326  411.397   29.765    378.436   43.132    441.367   41.128    52.918  3.0561  57.280  2.6807  -4.362331      4.065172 
1 1 1 7   -20 26 o 61.327  2.0698  508.185   33.884    490.705   48.785    524.477   47.099    60.255  3.0324  62.400  2.8180  -2.144344      4.139667 
1 1 1 7   -20 27 o 49.845  2.0181  335.442   26.799    357.201   38.871    315.728   36.999    51.391  2.8349  48.299  2.8729  3.091469       4.036110 
1 1 1 7   -20 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -20 29 o 23.067  5.5843  76.823    34.133    0.0000    0.0000    76.823    34.133    ?       ?       23.067  5.5843  ?              ?        
1 1 1 7   -20 30 o 24.556  2.5603  85.405    15.997    74.122    24.034    94.378    21.435    22.930  4.0619  26.182  3.1178  -3.252035      5.120553 
1 1 1 7   -20 31 o 14.016  3.1745  26.718    13.559    22.871    19.261    30.498    19.091    13.279  4.5227  14.753  4.4559  -1.473478      6.349020 
1 1 1 7   -20 32 o 57.547  2.1494  452.971   33.010    458.925   47.098    447.223   46.278    57.917  3.0467  57.178  3.0326  0.7394638      4.298745 
1 1 1 7   -20 33 o 14.054  3.1923  26.608    14.089    36.500    19.874    16.613    19.977    15.908  4.4759  12.200  4.5531  3.707730       6.384669 
1 1 1 7   -20 34 o 64.078  2.2401  564.809   38.373    582.274   54.716    547.906   53.829    65.105  3.1377  63.050  3.1979  2.055038       4.480162 
1 1 1 7   -20 35 o 27.743  2.6084  109.400   18.751    121.623   26.306    96.775    26.735    29.459  3.3961  26.027  3.9599  3.432343       5.216711 
1 1 1 7   -20 36 o 44.304  2.3049  273.715   27.157    279.514   38.762    268.125   38.058    44.769  3.2547  43.839  3.2646  0.9309845      4.609859 
1 1 1 7   -20 37 o 26.710  2.8267  103.458   19.597    102.901   27.411    104.041   28.029    26.653  3.9600  26.766  4.0349  -0.1133995     5.653447 
1 1 1 7   -20 38 o 32.132  2.6788  149.387   22.607    151.159   31.827    147.582   32.117    32.354  3.7416  31.909  3.8346  0.4454403      5.357597 
1 1 1 7   -20 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -20 40 o 12.179  3.3824  15.304    17.123    29.561    23.580    -0.5999   24.904    14.028  4.9896  10.330  4.5681  3.697250       6.764826 
1 1 1 7   -20 41 o 13.460  3.5807  24.248    18.288    9.6809    24.994    41.035    26.830    11.255  4.7742  15.664  5.3378  -4.409031      7.161387 
1 1 1 7   -20 42 o 40.561  2.8237  254.794   30.263    246.638   42.001    263.600   43.644    39.897  3.9836  41.226  4.0029  -1.329174      5.647351 
1 1 1 7   -20 43 o 7.6937  2.5332  -8.4543   11.627    -9.4663   21.322    -8.0261   13.871    8.5060  3.9406  6.8813  3.1845  1.624745       5.066451 
1 1 1 7   -20 44 o 16.105  3.4019  46.865    15.461    41.601    28.673    49.023    18.359    14.925  5.4758  17.285  4.0383  -2.360648      6.803839 
1 1 1 7   -20 45 o 10.219  2.8314  12.281    13.056    -20.9406  25.465    24.128    15.207    8.3288  3.9904  12.110  4.0179  -3.780896      5.662786 
1 1 1 7   -20 46 o 8.9237  2.8216  2.7730    13.235    -14.6219  27.259    8.1386    15.139    8.8453  4.2076  9.0021  3.7607  -0.1567268     5.643269 
1 1 1 7   -20 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -19 0  o 47.857  1.8680  308.039   23.849    314.707   33.992    301.574   33.469    48.369  2.6337  47.345  2.6499  1.024254       3.736054 
1 1 1 7   -19 1  o 39.567  1.8623  211.632   19.525    188.566   27.675    234.489   27.549    37.390  2.7833  41.744  2.4749  -4.353870      3.724515 
1 1 1 7   -19 2  o 49.969  1.8302  335.679   24.409    343.141   34.781    328.438   34.264    50.518  2.5790  49.419  2.5976  1.098446       3.660455 
1 1 1 7   -19 3  o 178.513 3.5808  4292.51   171.107   4129.55   242.481   4454.14   241.485   175.117 5.1697  181.910 4.9562  -6.792465      7.161631 
1 1 1 7   -19 4  o 195.591 3.8337  5155.23   200.810   5057.40   284.483   5252.38   283.496   193.728 5.4824  197.454 5.3603  -3.725952      7.667485 
1 1 1 7   -19 5  o 104.566 2.3929  1467.84   67.019    1462.98   95.066    1472.64   94.494    104.393 3.3999  104.740 3.3682  -0.3465652     4.785844 
1 1 1 7   -19 6  o 138.336 2.9130  2571.96   107.933   2557.49   152.850   2586.36   152.432   137.946 4.1368  138.726 4.1023  -0.7805023     5.826010 
1 1 1 7   -19 7  o 54.819  1.8537  403.585   27.109    369.481   37.950    439.123   38.740    52.415  2.7124  57.223  2.5275  -4.808567      3.707464 
1 1 1 7   -19 8  o 281.835 5.3323  10765.22  402.529   10812.10  569.327   10718.35  569.198   282.456 7.5253  281.215 7.5568  1.241211       10.66464 
1 1 1 7   -19 9  o 38.285  1.8885  197.271   19.168    174.927   26.557    221.570   27.694    36.005  2.7752  40.566  2.5619  -4.561108      3.776901 
1 1 1 7   -19 10 f 61.797  1.8676  512.083   30.906    506.147   43.183    518.317   44.252    61.431  2.6245  62.164  2.6577  -0.7329483     3.735156 
1 1 1 7   -19 11 o 129.082 2.7353  2239.17   94.558    2272.00   133.331   2205.94   134.123   130.039 3.8280  128.126 3.9082  1.913223       5.470603 
1 1 1 7   -19 12 o 141.995 3.5698  2726.09   128.102   2747.30   157.372   2684.44   220.540   142.954 4.1100  141.037 5.8380  1.917572       7.139665 
1 1 1 7   -19 13 o 148.914 4.2717  2982.35   170.384   2982.35   170.384   0.0000    0.0000    148.914 4.2717  ?       ?       ?              ?        
1 1 1 7   -19 14 o 121.182 3.6585  1972.94   118.750   1972.94   118.750   0.0000    0.0000    121.182 3.6585  ?       ?       ?              ?        
1 1 1 7   -19 15 o 74.299  2.7795  740.708   55.314    740.708   55.314    0.0000    0.0000    74.299  2.7795  ?       ?       ?              ?        
1 1 1 7   -19 16 o 179.141 4.9964  4324.68   239.740   4324.68   239.740   0.0000    0.0000    179.141 4.9964  ?       ?       ?              ?        
1 1 1 7   -19 17 o 60.685  4.1398  497.636   66.888    0.0000    0.0000    497.636   66.888    ?       ?       60.685  4.1398  ?              ?        
1 1 1 7   -19 18 o 124.587 3.7641  2086.55   125.609   0.0000    0.0000    2086.55   125.609   ?       ?       124.587 3.7641  ?              ?        
1 1 1 7   -19 19 o 74.287  2.8808  740.769   57.322    0.0000    0.0000    740.769   57.322    ?       ?       74.287  2.8808  ?              ?        
1 1 1 7   -19 20 o 118.768 3.6394  1896.43   115.775   0.0000    0.0000    1896.43   115.775   ?       ?       118.768 3.6394  ?              ?        
1 1 1 7   -19 21 o 167.047 3.3867  3763.70   151.525   3805.70   215.373   3722.54   213.220   167.970 4.7871  166.124 4.7919  1.846512       6.773355 
1 1 1 7   -19 22 o 79.830  2.1253  856.650   45.404    841.505   65.252    870.866   63.219    79.140  3.0783  80.521  2.9312  -1.380959      4.250665 
1 1 1 7   -19 23 o 55.579  1.9439  414.662   28.865    433.839   41.922    397.375   39.804    56.833  2.7539  54.324  2.7444  2.509022       3.887896 
1 1 1 7   -19 24 o 128.839 2.8620  2242.15   98.613    2116.06   140.205   2365.59   138.727   125.219 4.1803  132.460 3.9101  -7.240868      5.723947 
1 1 1 7   -19 25 o 56.545  2.0452  433.559   30.690    389.280   44.355    474.226   42.507    53.693  3.0973  59.397  2.6718  -5.704021      4.090496 
1 1 1 7   -19 26 o 64.042  2.1067  553.338   36.055    531.071   52.094    573.812   49.952    62.789  3.0976  65.295  2.8562  -2.506104      4.213377 
1 1 1 7   -19 27 o 69.271  2.1303  646.998   39.507    640.531   56.563    653.158   55.204    68.925  3.0638  69.616  2.9605  -0.6915817     4.260506 
1 1 1 7   -19 28 o 20.170  2.8115  56.824    14.631    63.682    21.417    50.821    20.036    21.347  3.8890  18.994  4.0613  2.353142       5.623052 
1 1 1 7   -19 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -19 30 o 56.143  2.0939  427.623   31.362    441.956   45.143    414.250   43.603    57.054  2.9643  55.233  2.9581  1.820316       4.187735 
1 1 1 7   -19 31 o 41.231  2.1393  231.547   23.424    249.848   33.949    214.917   32.362    42.802  2.9798  39.660  3.0704  3.142441       4.278616 
1 1 1 7   -19 32 o 37.129  2.2003  189.092   21.677    191.222   30.923    187.033   30.397    37.333  3.1211  36.924  3.1022  0.4086990      4.400515 
1 1 1 7   -19 33 f 62.261  2.1847  530.259   36.364    544.353   51.673    516.431   51.184    63.131  3.0558  61.390  3.1231  1.740910       4.369397 
1 1 1 7   -19 34 o 16.748  3.1878  40.347    14.977    53.018    21.520    28.448    20.855    19.123  4.3053  14.373  4.7023  4.750162       6.375508 
1 1 1 7   -19 35 o 49.099  2.2274  333.134   29.095    313.920   41.156    352.332   41.139    47.632  3.2452  50.565  3.0517  -2.933697      4.454702 
1 1 1 7   -19 36 o 35.581  2.4696  177.879   23.167    189.705   32.565    165.760   32.964    36.861  3.3344  34.302  3.6437  2.559097       4.939136 
1 1 1 7   -19 37 o 18.356  3.3719  51.059    17.172    65.107    23.929    36.143    24.657    20.976  4.3994  15.735  5.1113  5.241274       6.743895 
1 1 1 7   -19 38 o 30.450  2.8760  137.855   21.968    172.569   30.667    101.269   31.484    34.928  3.3178  25.972  4.6987  8.955708       5.752001 
1 1 1 7   -19 39 o 25.169  3.1718  94.838    20.485    78.484    27.725    114.497   30.398    22.595  4.7327  27.744  4.2240  -5.148720      6.343565 
1 1 1 7   -19 40 o 22.958  3.4377  83.968    20.752    55.214    28.879    114.667   29.839    18.328  5.4680  27.589  4.1679  -9.261112      6.875379 
1 1 1 7   -19 41 o 47.274  2.8647  324.717   35.207    267.896   44.876    415.674   56.778    42.110  4.0279  52.437  4.0745  -10.32726      5.729322 
1 1 1 7   -19 42 o 28.059  2.9052  124.723   19.738    113.855   33.249    130.636   24.527    26.271  4.9056  29.848  3.1137  -3.577463      5.810377 
1 1 1 7   -19 43 o 16.321  3.2598  37.473    15.355    76.216    26.795    18.527    18.738    21.184  4.8295  11.458  4.3796  9.726002       6.519554 
1 1 1 7   -19 44 o 10.034  2.8520  10.071    13.034    -17.4802  24.595    20.829    15.370    8.5047  4.0312  11.564  4.0356  -3.059420      5.704093 
1 1 1 7   -19 45 o 13.869  3.3734  35.148    16.044    18.399    28.850    42.647    19.304    11.997  5.1102  15.741  4.4050  -3.744235      6.746733 
1 1 1 7   -19 46 o 16.108  3.2181  52.482    17.551    13.856    30.105    72.370    21.602    11.384  5.0288  20.833  4.0169  -9.448708      6.436216 
1 1 1 7   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 0  o 96.756  2.3240  1256.26   60.225    1271.60   85.669    1241.26   84.682    97.340  3.2858  96.172  3.2874  1.168541       4.647958 
1 1 1 7   -18 1  o 159.466 3.2386  3420.25   138.291   3340.07   196.154   3499.50   194.998   157.598 4.6468  161.335 4.5125  -3.736420      6.477293 
1 1 1 7   -18 2  o 55.050  1.8169  406.437   26.785    402.292   38.147    410.467   37.618    54.773  2.6002  55.328  2.5384  -0.5554047     3.633839 
1 1 1 7   -18 3  o 82.210  2.9711  912.189   65.078    965.458   90.486    855.111   93.665    84.779  3.9848  79.641  4.4081  5.138893       5.942165 
1 1 1 7   -18 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 8  o 52.288  3.7669  369.023   52.402    369.023   52.402    0.0000    0.0000    52.288  3.7669  ?       ?       ?              ?        
1 1 1 7   -18 9  f 145.241 6.0336  2844.88   234.723   2844.88   234.723   0.0000    0.0000    145.241 6.0336  ?       ?       ?              ?        
1 1 1 7   -18 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 15 o 107.698 3.3789  1557.40   97.470    1557.40   97.470    0.0000    0.0000    107.698 3.3789  ?       ?       ?              ?        
1 1 1 7   -18 16 o 56.176  2.5577  423.277   38.484    423.277   38.484    0.0000    0.0000    56.176  2.5577  ?       ?       ?              ?        
1 1 1 7   -18 17 o 62.160  2.7052  518.399   45.040    518.399   45.040    0.0000    0.0000    62.160  2.7052  ?       ?       ?              ?        
1 1 1 7   -18 18 o 108.898 5.0557  1598.45   147.465   0.0000    0.0000    1598.45   147.465   ?       ?       108.898 5.0557  ?              ?        
1 1 1 7   -18 19 o 78.617  2.9106  829.557   61.290    0.0000    0.0000    829.557   61.290    ?       ?       78.617  2.9106  ?              ?        
1 1 1 7   -18 20 o 99.928  3.3061  1341.26   88.488    0.0000    0.0000    1341.26   88.488    ?       ?       99.928  3.3061  ?              ?        
1 1 1 7   -18 21 o 127.033 3.8662  2170.36   131.551   0.0000    0.0000    2170.36   131.551   ?       ?       127.033 3.8662  ?              ?        
1 1 1 7   -18 22 o 28.845  2.3376  114.844   17.429    100.541   25.855    126.756   23.596    27.103  3.6548  30.587  2.9153  -3.484894      4.675116 
1 1 1 7   -18 23 o 92.499  2.3166  1149.18   57.375    1185.12   82.407    1115.37   79.932    93.902  3.2764  91.097  3.2759  2.805046       4.633182 
1 1 1 7   -18 24 o 78.056  2.1590  819.779   45.083    791.658   64.628    846.433   62.919    76.742  3.1441  79.370  2.9597  -2.627205      4.317978 
1 1 1 7   -18 25 o 77.367  2.1668  804.325   44.879    841.282   64.331    769.286   62.639    79.100  3.0364  75.634  3.0920  3.465919       4.333595 
1 1 1 7   -18 26 o 91.419  2.3277  1125.24   56.988    1141.47   81.483    1109.69   79.733    92.063  3.3044  90.776  3.2793  1.286789       4.655410 
1 1 1 7   -18 27 o 76.171  2.1929  781.150   44.724    799.384   64.293    764.055   62.254    77.029  3.1162  75.312  3.0861  1.717125       4.385726 
1 1 1 7   -18 28 o 58.650  2.1060  464.002   32.988    493.519   47.281    436.005   46.047    60.515  2.9170  56.785  3.0385  3.729694       4.212004 
1 1 1 7   -18 29 o 9.6454  2.8174  3.0998    12.011    8.2663    16.421    -2.8431   17.612    10.291  4.0533  8.9998  3.9143  1.291056       5.634758 
1 1 1 7   -18 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 31 o 62.427  2.1315  528.328   35.628    546.772   50.578    510.161   50.195    63.519  2.9728  61.335  3.0554  2.183731       4.262947 
1 1 1 7   -18 32 o 67.093  2.1885  612.234   39.325    624.415   55.845    600.252   55.387    67.761  3.0769  66.425  3.1130  1.335945       4.377017 
1 1 1 7   -18 33 o 44.755  2.1966  274.458   26.167    277.653   37.277    271.355   36.741    45.011  3.1110  44.498  3.1020  0.5129051      4.393277 
1 1 1 7   -18 34 o 12.041  3.1166  15.518    13.657    25.238    19.176    5.5119    19.456    13.655  4.5110  10.427  4.3016  3.227816       6.233195 
1 1 1 7   -18 35 o 41.001  2.2620  232.299   24.628    222.363   34.684    242.404   34.977    40.088  3.2584  41.913  3.1384  -1.825497      4.523984 
1 1 1 7   -18 36 o 21.874  3.0318  69.625    17.091    71.310    23.431    67.710    24.984    22.235  4.0848  21.512  4.4814  0.7227535      6.063685 
1 1 1 7   -18 37 o 25.448  2.9473  93.503    19.337    83.283    26.632    104.898   28.121    23.883  4.3222  27.013  4.0082  -3.129595      5.894672 
1 1 1 7   -18 38 o 33.528  2.6749  162.367   23.275    182.006   32.188    140.844   33.696    35.904  3.3871  31.152  4.1409  4.751427       5.349765 
1 1 1 7   -18 39 o 22.052  3.3082  74.083    19.152    49.283    26.284    102.156   27.965    17.773  5.1944  26.332  4.0983  -8.558252      6.616446 
1 1 1 7   -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -18 41 o 23.728  2.8962  82.649    17.128    98.230    29.035    74.333    21.212    25.142  4.4755  22.314  3.6771  2.827778       5.792359 
1 1 1 7   -18 42 o 9.6653  2.8269  7.7846    11.810    -4.4619   22.127    12.663    13.965    9.2872  4.1913  10.043  3.7947  -0.7561741     5.653896 
1 1 1 7   -18 43 o 23.244  3.0741  88.326    17.562    82.024    29.400    91.822    21.898    21.811  5.1202  24.676  3.4037  -2.864883      6.148296 
1 1 1 7   -18 44 o 28.791  2.9450  132.778   20.696    132.268   35.243    133.046   25.569    27.858  4.9021  29.724  3.2653  -1.866064      5.890023 
1 1 1 7   -18 45 o 23.573  3.3017  92.773    18.925    101.398   33.546    88.747    22.920    23.435  5.4476  23.712  3.7322  -0.2765408     6.603496 
1 1 1 7   -18 46 o 19.471  3.4678  76.664    18.688    50.098    33.615    88.548    22.483    15.420  5.8726  23.522  3.6900  -8.101936      6.935665 
1 1 1 7   -18 47 o 9.7468  4.4529  2.0512    25.930    2.0512    25.930    0.0000    0.0000    9.7468  4.4529  ?       ?       ?              ?        
1 1 1 7   -18 48 o 7.8517  2.6474  -11.5658  13.502    3.3756    25.027    -17.6995  16.035    9.3867  4.3202  6.3166  3.0610  3.070065       5.294716 
1 1 1 7   -17 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -17 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -17 2  o 95.882  2.2820  1233.64   58.592    1213.44   83.288    1253.43   82.442    95.103  3.2697  96.662  3.1842  -1.559105      4.563978 
1 1 1 7   -17 3  o 177.758 3.5603  4249.33   169.514   4252.49   240.320   4246.21   239.143   177.823 5.0456  177.694 5.0245  0.1282196      7.120679 
1 1 1 7   -17 4  o 183.512 3.6329  4529.65   178.561   4489.16   252.964   4569.87   252.085   182.690 5.1696  184.334 5.1057  -1.644653      7.265828 
1 1 1 7   -17 5  o 79.771  2.0627  853.438   44.068    840.943   62.368    865.897   62.276    79.187  2.9405  80.355  2.8935  -1.168076      4.125385 
1 1 1 7   -17 6  o 188.352 3.7137  4772.43   187.335   4854.54   265.141   4690.57   264.722   189.977 5.2106  186.728 5.2929  3.248795       7.427315 
1 1 1 7   -17 7  o 126.835 2.7047  2159.53   91.884    2143.59   129.840   2175.51   130.049   126.365 3.8361  127.304 3.8140  -0.9391937     5.409437 
1 1 1 7   -17 8  o 53.838  1.7372  388.971   25.023    406.595   35.193    370.952   35.586    55.074  2.3857  52.602  2.5257  2.472305       3.474322 
1 1 1 7   -17 9  o 146.904 2.9787  2899.13   117.189   2950.41   165.465   2847.52   165.998   148.212 4.1681  145.596 4.2566  2.616272       5.957466 
1 1 1 7   -17 10 o 200.146 3.8643  5392.28   207.157   5404.08   292.655   5380.43   293.274   200.368 5.4531  199.925 5.4767  0.4432220      7.728519 
1 1 1 7   -17 11 o 111.764 2.4467  1676.36   73.238    1648.69   103.246   1704.39   103.904   110.835 3.4778  112.694 3.4423  -1.859077      4.893317 
1 1 1 7   -17 12 f 211.708 4.0967  6039.85   232.290   6121.56   328.327   5957.97   328.691   213.152 5.7508  210.265 5.8362  2.886276       8.193473 
1 1 1 7   -17 13 o 116.206 2.4892  1813.13   77.459    1855.58   109.415   1770.47   109.672   117.574 3.4744  114.839 3.5655  2.734940       4.978363 
1 1 1 7   -17 14 o ?       ?       4958.59   15510.88  4907.12   18997.79  5061.50   26863.02  ?       ?       ?       ?       ?              ?        
1 1 1 7   -17 15 o 91.387  4.3643  1122.94   106.828   1122.94   106.828   0.0000    0.0000    91.387  4.3643  ?       ?       ?              ?        
1 1 1 7   -17 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -17 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -17 18 o 76.809  2.9020  791.702   59.704    791.702   59.704    0.0000    0.0000    76.809  2.9020  ?       ?       ?              ?        
1 1 1 7   -17 19 o 48.970  3.9658  324.505   51.570    0.0000    0.0000    324.505   51.570    ?       ?       48.970  3.9658  ?              ?        
1 1 1 7   -17 20 o 132.316 3.9376  2354.08   139.552   0.0000    0.0000    2354.08   139.552   ?       ?       132.316 3.9376  ?              ?        
1 1 1 7   -17 21 f 158.101 4.5772  3366.36   193.833   0.0000    0.0000    3366.36   193.833   ?       ?       158.101 4.5772  ?              ?        
1 1 1 7   -17 22 o 234.315 6.4240  7438.19   403.176   0.0000    0.0000    7438.19   403.176   ?       ?       234.315 6.4240  ?              ?        
1 1 1 7   -17 23 o 86.017  2.2165  993.411   51.055    1013.15   73.198    974.708   71.247    86.848  3.1466  85.186  3.1225  1.661736       4.433022 
1 1 1 7   -17 24 o 52.649  2.0084  372.567   28.186    388.729   41.060    358.165   38.760    53.727  2.8636  51.570  2.8167  2.156696       4.016730 
1 1 1 7   -17 25 o 80.459  2.2063  869.494   47.521    910.641   68.155    830.565   66.293    82.312  3.0913  78.605  3.1487  3.707542       4.412558 
1 1 1 7   -17 26 o 103.450 2.4864  1440.87   68.892    1459.19   98.075    1423.03   96.794    104.099 3.5174  102.801 3.5153  1.297653       4.972886 
1 1 1 7   -17 27 o 45.273  2.1087  277.176   25.404    270.916   36.448    283.090   35.426    44.763  3.0583  45.783  2.9039  -1.019970      4.217305 
1 1 1 7   -17 28 o 98.263  2.4650  1303.11   64.876    1317.33   92.087    1289.09   91.415    98.797  3.4799  97.730  3.4922  1.067505       4.930031 
1 1 1 7   -17 29 o 6.0779  2.9461  -47.3203  10.920    -73.4874  16.081    -24.9284  14.876    ?       ?       6.0779  2.9461  ?              ?        
1 1 1 7   -17 30 o 50.406  2.1240  344.404   28.545    340.371   40.366    348.437   40.370    50.106  3.0219  50.706  2.9856  -0.5994759     4.248001 
1 1 1 7   -17 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -17 32 o 32.591  2.3141  145.930   19.913    150.483   28.032    141.292   28.293    33.127  3.1990  32.055  3.3446  1.072266       4.628223 
1 1 1 7   -17 33 o 14.468  3.1897  28.586    13.922    21.306    19.507    36.144    19.877    13.018  4.5462  15.918  4.4752  -2.900399      6.379309 
1 1 1 7   -17 34 o 18.666  3.1164  50.344    15.341    46.905    21.492    53.915    21.903    17.999  4.4766  19.332  4.3368  -1.332726      6.232815 
1 1 1 7   -17 35 o 36.835  2.3769  188.504   23.119    200.213   32.301    176.205   33.104    38.079  3.1966  35.592  3.5185  2.486332       4.753788 
1 1 1 7   -17 36 o 40.147  2.3386  224.255   24.846    236.334   34.552    211.320   35.755    41.343  3.1437  38.951  3.4633  2.392597       4.677268 
1 1 1 7   -17 37 o 77.506  2.4399  835.589   50.596    851.284   70.388    818.810   72.780    78.337  3.3546  76.675  3.5438  1.662254       4.879742 
1 1 1 7   -17 38 o 41.097  2.1504  233.054   23.101    246.846   36.572    223.898   29.797    41.978  3.2787  40.217  2.7833  1.760567       4.300753 
1 1 1 7   -17 39 f 14.696  2.6446  16.908    12.843    70.094    22.533    -8.6822   15.630    21.823  4.0024  7.5701  3.4579  14.25257       5.289288 
1 1 1 7   -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -17 41 o 10.478  2.6652  10.668    12.071    -26.4938  22.068    26.534    14.420    7.7029  3.6969  13.253  3.8400  -5.550025      5.330375 
1 1 1 7   -17 42 f 16.308  3.2214  45.335    15.121    29.198    25.575    54.008    18.748    13.871  5.1566  18.745  3.8626  -4.874273      6.442817 
1 1 1 7   -17 43 o 34.668  2.6048  182.183   22.825    182.799   37.608    181.823   28.720    34.109  4.2055  35.227  3.0746  -1.118416      5.209581 
1 1 1 7   -17 44 o 23.422  3.3497  99.815    19.265    69.752    32.721    115.764   23.833    19.087  5.8482  27.758  3.2682  -8.671627      6.699408 
1 1 1 7   -17 45 o 9.2272  2.8978  2.5169    13.104    -3.4011   25.937    4.5451    15.184    9.7546  4.4553  8.6997  3.7066  1.054816       5.795557 
1 1 1 7   -17 46 o 12.604  3.4690  20.903    15.288    44.768    29.696    12.297    17.832    15.071  5.5656  10.137  4.1426  4.933578       6.938087 
1 1 1 7   -17 47 o 12.135  3.3417  26.100    16.119    10.607    30.774    31.957    18.922    11.006  4.9571  13.265  4.4828  -2.259130      6.683446 
1 1 1 7   -17 48 o 15.331  3.6903  50.661    17.391    56.640    33.182    48.397    20.420    14.914  5.7942  15.747  4.5716  -0.8331652     7.380515 
1 1 1 7   -16 0  o 250.187 4.8434  8444.42   324.396   8138.43   459.015   8749.74   458.515   245.625 6.9770  254.749 6.7197  -9.124313      9.686730 
1 1 1 7   -16 1  o 220.516 4.2726  6546.62   252.352   6492.58   357.472   6600.31   356.290   219.602 6.0774  221.430 6.0073  -1.827805      8.545295 
1 1 1 7   -16 2  o 198.943 3.9171  5323.10   208.718   5273.12   295.754   5372.68   294.591   198.007 5.5765  199.879 5.5026  -1.871628      7.834250 
1 1 1 7   -16 3  o 175.082 3.5173  4118.85   164.910   4228.21   233.848   4010.66   232.594   177.400 4.9214  172.764 5.0264  4.636108       7.034567 
1 1 1 7   -16 4  o 78.509  2.0244  826.555   42.557    804.419   60.282    848.550   60.087    77.459  2.9055  79.558  2.8197  -2.098907      4.048815 
1 1 1 7   -16 5  o 104.860 2.3540  1474.69   66.116    1466.96   93.596    1482.40   93.408    104.585 3.3412  105.135 3.3170  -0.5500488     4.708079 
1 1 1 7   -16 6  o 208.709 4.0570  5858.07   226.794   5860.75   320.747   5855.39   320.725   208.757 5.7363  208.661 5.7386  0.9579468E-01  8.113964 
1 1 1 7   -16 7  o 107.882 2.3927  1560.94   69.136    1541.13   97.540    1580.94   98.007    107.194 3.3972  108.571 3.3702  -1.376839      4.785325 
1 1 1 7   -16 8  o 78.639  1.9677  828.932   41.441    811.537   58.276    846.729   58.944    77.804  2.7964  79.474  2.7690  -1.669891      3.935369 
1 1 1 7   -16 9  o 154.001 3.1219  3184.80   128.762   3227.01   181.811   3142.32   182.383   155.029 4.3784  152.974 4.4512  2.054520       6.243706 
1 1 1 7   -16 10 o 92.013  2.1378  1135.51   52.678    1152.28   74.208    1118.47   74.790    92.700  2.9887  91.327  3.0574  1.372665       4.275534 
1 1 1 7   -16 11 o 225.364 4.3275  6839.37   261.216   6895.65   369.208   6782.97   369.623   226.298 6.0912  224.430 6.1488  1.868088       8.655066 
1 1 1 7   -16 12 o 62.338  1.7963  520.998   29.991    525.149   42.269    516.789   42.562    62.589  2.5213  62.088  2.5593  0.5011063      3.592664 
1 1 1 7   -16 13 o 78.055  1.9578  816.984   40.931    820.091   57.952    813.892   57.819    78.204  2.7667  77.907  2.7708  0.2962646      3.915549 
1 1 1 7   -16 14 o 230.996 4.4536  7197.39   275.465   7418.30   389.943   6977.33   389.191   234.558 6.2067  227.434 6.3888  7.124054       8.907288 
1 1 1 7   -16 15 o 57.626  1.7834  445.394   27.514    440.289   39.381    450.261   38.457    57.302  2.5658  57.950  2.4776  -0.6476746     3.566823 
1 1 1 7   -16 16 o 107.622 3.4034  1554.76   98.107    1554.76   98.107    0.0000    0.0000    107.622 3.4034  ?       ?       ?              ?        
1 1 1 7   -16 17 o 114.553 3.5849  1762.18   109.994   1762.18   109.994   0.0000    0.0000    114.553 3.5849  ?       ?       ?              ?        
1 1 1 7   -16 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -16 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -16 20 o 113.092 5.1658  1724.16   156.479   0.0000    0.0000    1724.16   156.479   ?       ?       113.092 5.1658  ?              ?        
1 1 1 7   -16 21 o 145.723 4.2540  2857.19   166.039   0.0000    0.0000    2857.19   166.039   ?       ?       145.723 4.2540  ?              ?        
1 1 1 7   -16 22 o 202.620 5.6386  5545.08   306.016   0.0000    0.0000    5545.08   306.016   ?       ?       202.620 5.6386  ?              ?        
1 1 1 7   -16 23 o 27.406  3.3664  101.032   20.777    109.741   42.134    98.234    23.883    27.985  5.8112  26.828  3.3999  1.157244       6.732707 
1 1 1 7   -16 24 o 30.620  2.2158  126.376   17.837    143.007   26.404    112.415   24.192    32.487  3.0707  28.752  3.1954  3.735401       4.431692 
1 1 1 7   -16 25 o 62.357  2.0553  521.803   34.268    566.234   49.217    479.999   47.740    64.936  2.8297  59.778  2.9816  5.157681       4.110651 
1 1 1 7   -16 26 o 48.014  2.0497  310.414   26.218    325.157   37.912    296.902   36.296    49.109  2.8950  46.919  2.9024  2.190624       4.099408 
1 1 1 7   -16 27 f 42.567  2.1427  244.682   24.258    254.148   34.909    235.842   33.735    43.367  3.0242  41.766  3.0363  1.600346       4.285444 
1 1 1 7   -16 28 o 102.892 2.5425  1428.17   70.069    1416.02   99.005    1440.37   99.180    102.451 3.6079  103.333 3.5834  -0.8821945     5.085022 
1 1 1 7   -16 29 o 85.852  2.3404  994.616   53.813    1003.32   75.845    985.795   76.365    86.235  3.2836  85.469  3.3358  0.7663956      4.680772 
1 1 1 7   -16 30 o 65.351  2.1585  576.479   37.782    580.869   53.418    572.085   53.444    65.602  3.0401  65.100  3.0650  0.5020218      4.316997 
1 1 1 7   -16 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -16 32 o 68.290  2.2230  632.962   40.643    650.356   57.253    615.290   57.707    69.252  3.0865  67.328  3.1999  1.924103       4.445925 
1 1 1 7   -16 33 o 34.553  2.3304  164.920   21.162    182.056   29.623    147.060   30.241    36.472  3.0607  32.635  3.5151  3.836643       4.660834 
1 1 1 7   -16 34 o 40.486  2.2674  225.367   24.367    231.757   34.157    218.747   34.770    41.099  3.1263  39.872  3.2849  1.226410       4.534837 
1 1 1 7   -16 35 o 56.985  2.2458  446.682   34.089    461.079   47.441    431.314   49.016    57.988  3.0653  55.983  3.2831  2.004158       4.491692 
1 1 1 7   -16 36 o 21.505  3.0711  66.565    17.061    57.683    23.272    76.886    25.086    19.885  4.4772  23.124  4.2051  -3.239067      6.142281 
1 1 1 7   -16 37 o 68.355  2.1597  640.020   39.343    674.614   59.223    612.695   52.635    69.933  3.1617  66.777  2.9428  3.156578       4.319319 
1 1 1 7   -16 38 o 11.129  2.9805  11.317    11.736    21.959    20.433    6.0778    14.337    13.007  4.6427  9.2511  3.7388  3.755600       5.960981 
1 1 1 7   -16 39 o 30.860  2.3839  129.672   18.962    163.891   30.931    109.067   24.002    33.985  3.4456  27.735  3.2954  6.249277       4.767796 
1 1 1 7   -16 40 o 20.552  7.2073  72.793    49.051    72.793    49.051    0.0000    0.0000    20.552  7.2073  ?       ?       ?              ?        
1 1 1 7   -16 41 o 10.792  3.0370  6.6007    12.880    25.279    22.643    -2.3335   15.660    13.374  4.8723  8.2098  3.6268  5.163826       6.073936 
1 1 1 7   -16 42 o 34.995  2.4622  177.268   22.073    192.670   36.400    168.310   27.759    35.839  3.8523  34.151  3.0674  1.688145       4.924360 
1 1 1 7   -16 43 o 46.668  2.4830  328.716   29.676    306.760   47.434    342.836   38.039    44.648  4.0092  48.689  2.9305  -4.040997      4.966010 
1 1 1 7   -16 44 o 31.528  2.6871  148.650   21.596    176.478   35.994    132.997   26.994    33.428  4.1064  29.629  3.4670  3.799007       5.374219 
1 1 1 7   -16 45 o 20.171  3.4637  72.912    18.042    64.917    31.236    76.914    22.102    18.346  5.7294  21.997  3.8938  -3.651150      6.927346 
1 1 1 7   -16 46 o 13.432  3.5206  28.677    15.723    43.018    28.700    22.528    18.794    14.974  5.4808  11.889  4.4203  3.085387       7.041183 
1 1 1 7   -16 47 o 9.2244  2.9721  -3.6083   13.691    17.119    27.872    -10.1996  15.717    11.446  4.9510  7.0030  3.2897  4.442635       5.944262 
1 1 1 7   -16 48 o 8.9397  2.8127  2.9426    14.429    -29.4483  28.756    13.842    16.681    8.0524  3.9451  9.8270  4.0102  -1.774653      5.625420 
1 1 1 7   -15 0  o 43.482  1.7608  254.244   20.419    252.344   29.015    256.108   28.740    43.319  2.5115  43.645  2.4686  -0.3260269     3.521568 
1 1 1 7   -15 1  o 50.231  1.7760  338.512   23.842    352.605   33.989    324.860   33.452    51.295  2.4739  49.168  2.5488  2.126343       3.551978 
1 1 1 7   -15 2  o 207.405 4.0552  5780.43   225.272   5749.69   319.164   5810.94   318.005   206.852 5.7606  207.958 5.7091  -1.105255      8.110379 
1 1 1 7   -15 3  o 83.248  2.0686  928.945   46.124    924.856   65.518    932.963   64.943    83.066  2.9447  83.431  2.9061  -0.3641891     4.137287 
1 1 1 7   -15 4  o 83.024  2.0689  923.961   46.004    911.712   65.152    936.141   64.967    82.475  2.9493  83.574  2.9022  -1.098701      4.137768 
1 1 1 7   -15 5  o 461.939 8.6462  28971.81  1069.64   28405.45  1512.42   29538.59  1512.97   457.362 12.346  466.517 12.108  -9.155823      17.29239 
1 1 1 7   -15 6  o 289.828 5.4291  11310.85  421.418   11489.36  596.050   11132.43  595.900   292.126 7.6177  287.529 7.7375  4.597412       10.85812 
1 1 1 7   -15 7  o 196.792 3.7989  5201.34   200.161   5020.89   282.639   5382.90   283.503   193.359 5.4573  200.225 5.2863  -6.866226      7.597837 
1 1 1 7   -15 8  o 281.064 5.3059  10636.49  399.437   10663.18  564.544   10609.73  565.234   281.420 7.4895  280.708 7.5177  0.7118530      10.61173 
1 1 1 7   -15 9  o 281.021 5.2905  10635.79  398.211   10533.62  562.748   10738.25  563.563   279.663 7.5126  282.379 7.4511  -2.716217      10.58103 
1 1 1 7   -15 10 o 259.600 4.8629  9070.89   338.136   9034.95   477.902   9106.92   478.491   259.083 6.8867  260.117 6.8678  -1.033508      9.725875 
1 1 1 7   -15 11 o 95.598  2.1747  1225.25   55.685    1223.69   78.567    1226.83   78.935    95.537  3.0703  95.659  3.0807  -0.1224365     4.349449 
1 1 1 7   -15 12 o 83.315  2.0135  930.564   44.934    930.289   63.566    930.838   63.525    83.303  2.8489  83.327  2.8462  -0.2465820E-01 4.027076 
1 1 1 7   -15 13 o 142.329 2.8919  2719.16   110.245   2751.19   156.176   2687.35   155.644   143.166 4.0727  141.493 4.1069  1.673309       5.783885 
1 1 1 7   -15 14 o 236.615 4.5107  7543.27   285.861   7629.88   404.849   7457.16   403.689   237.975 6.3514  235.254 6.4065  2.721207       9.021305 
1 1 1 7   -15 15 o 95.659  2.2202  1227.25   56.880    1240.92   81.196    1214.08   79.706    96.181  3.1518  95.137  3.1279  1.044762       4.440436 
1 1 1 7   -15 16 o 97.135  2.2521  1265.46   58.584    1290.41   83.779    1241.59   81.952    98.071  3.1894  96.199  3.1806  1.872375       4.504213 
1 1 1 7   -15 17 o 99.580  3.2802  1330.75   87.489    1330.75   87.489    0.0000    0.0000    99.580  3.2802  ?       ?       ?              ?        
1 1 1 7   -15 18 o 97.435  3.2698  1274.22   85.335    1274.22   85.335    0.0000    0.0000    97.435  3.2698  ?       ?       ?              ?        
1 1 1 7   -15 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -15 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -15 21 o 95.683  3.1934  1229.21   81.843    0.0000    0.0000    1229.21   81.843    ?       ?       95.683  3.1934  ?              ?        
1 1 1 7   -15 22 o 145.687 4.2799  2856.00   167.012   0.0000    0.0000    2856.00   167.012   ?       ?       145.687 4.2799  ?              ?        
1 1 1 7   -15 23 o 67.663  2.8640  614.490   51.905    0.0000    0.0000    614.490   51.905    ?       ?       67.663  2.8640  ?              ?        
1 1 1 7   -15 24 o 141.780 3.0165  2706.05   114.530   2776.28   162.452   2636.64   161.490   143.616 4.2231  139.943 4.3083  3.672562       6.032930 
1 1 1 7   -15 25 o 77.568  2.1980  808.803   45.631    775.835   64.779    841.272   64.288    75.993  3.1825  79.144  3.0326  -3.151314      4.396066 
1 1 1 7   -15 26 o 18.072  3.0453  45.757    14.870    30.416    20.805    61.776    21.260    15.054  4.6717  21.089  3.9076  -6.035278      6.090519 
1 1 1 7   -15 27 o 64.036  2.1131  551.123   36.239    546.955   50.839    555.429   51.672    63.791  2.9754  64.281  3.0011  -0.4902115     4.226110 
1 1 1 7   -15 28 o 119.426 2.7554  1925.17   88.119    1964.22   124.236   1885.63   125.006   120.658 3.8442  118.195 3.9486  2.462555       5.510820 
1 1 1 7   -15 29 o 127.999 2.8914  2216.92   99.122    2223.75   139.334   2209.93   141.040   128.208 4.0574  127.789 4.1206  0.4190598      5.782897 
1 1 1 7   -15 30 o 8.7728  2.7318  -9.5053   13.089    4.4229    18.825    -22.5393  18.211    10.274  4.2340  7.2716  3.4532  3.002250       5.463614 
1 1 1 7   -15 31 o 19.133  2.9435  51.901    15.754    18.336    21.833    88.355    22.753    12.948  4.7741  25.318  3.4447  -12.37035      5.887058 
1 1 1 7   -15 32 o 26.487  6.0438  101.684   41.931    0.0000    0.0000    101.684   41.931    ?       ?       26.487  6.0438  ?              ?        
1 1 1 7   -15 33 o 32.221  2.4050  143.460   20.345    154.097   28.353    132.168   29.212    33.520  3.1967  30.921  3.5941  2.598770       4.810006 
1 1 1 7   -15 34 o 29.279  2.5973  119.962   19.477    93.074    27.089    148.737   28.023    25.691  4.0724  32.867  3.2247  -7.176310      5.194525 
1 1 1 7   -15 35 o 18.663  2.8260  52.931    13.456    37.039    21.655    62.927    17.175    16.078  4.7195  21.247  3.1099  -5.169909      5.651976 
1 1 1 7   -15 36 o 16.869  2.9458  41.151    12.967    40.993    21.058    41.249    16.458    16.786  4.5636  16.953  3.7261  -0.1666718     5.891585 
1 1 1 7   -15 37 o 19.324  2.8642  54.933    13.877    50.347    23.055    57.538    17.377    18.479  4.6590  20.169  3.3330  -1.690329      5.728492 
1 1 1 7   -15 38 o 16.590  2.9268  36.222    12.917    60.051    21.865    23.446    16.010    20.267  4.1670  12.912  4.1110  7.354320       5.853556 
1 1 1 7   -15 39 o 33.636  2.3245  155.454   20.223    178.596   32.945    141.462   25.617    35.494  3.5114  31.779  3.0469  3.715588       4.649015 
1 1 1 7   -15 40 f 22.063  3.7325  83.830    22.155    102.397   27.419    48.906    37.605    26.405  4.0024  17.722  6.3013  8.682755       7.464962 
1 1 1 7   -15 41 o 13.423  2.9805  14.578    13.288    54.971    23.715    -3.9065   16.043    18.710  4.7297  8.1367  3.6283  10.57336       5.961068 
1 1 1 7   -15 42 o 16.672  3.3541  41.409    15.163    58.838    26.096    32.525    18.632    18.927  5.0529  14.418  4.4123  4.508720       6.708151 
1 1 1 7   -15 43 o 68.828  2.4644  703.922   44.563    686.220   68.726    716.763   58.536    67.378  3.8239  70.277  3.1097  -2.899002      4.928738 
1 1 1 7   -15 44 o 16.118  3.2629  46.757    15.921    25.223    26.991    58.248    19.717    13.060  5.1798  19.177  3.9694  -6.117188      6.525803 
1 1 1 7   -15 45 o 36.942  2.6650  211.430   24.863    213.110   41.116    210.462   31.218    36.282  4.3156  37.603  3.1279  -1.321228      5.329903 
1 1 1 7   -15 46 o 17.510  3.4176  60.280    18.289    30.886    31.305    75.512    22.535    13.501  5.4997  21.519  4.0586  -8.017944      6.835161 
1 1 1 7   -15 47 o 12.159  3.3257  25.402    15.834    9.7623    30.360    31.246    18.559    11.042  4.9526  13.277  4.4398  -2.235112      6.651303 
1 1 1 7   -15 48 o 12.624  3.5180  31.496    17.103    28.166    32.409    32.782    20.135    12.221  5.3126  13.027  4.6131  -0.8061600     7.035937 
1 1 1 7   -14 0  o 96.203  2.2758  1240.79   58.629    1217.92   83.224    1263.32   82.608    95.322  3.2596  97.085  3.1767  -1.762688      4.551567 
1 1 1 7   -14 1  o 119.998 2.6451  1931.55   84.961    1859.62   120.528   2002.59   119.783   117.773 3.8208  122.222 3.6589  -4.448868      5.290183 
1 1 1 7   -14 2  o 314.854 5.9531  13341.89  502.038   13266.36  710.525   13417.20  709.454   313.958 8.4493  315.749 8.3887  -1.790924      11.90629 
1 1 1 7   -14 3  o 184.015 3.6309  4543.65   178.918   4438.29   253.332   4648.51   252.726   181.883 5.2001  186.148 5.0688  -4.265961      7.261764 
1 1 1 7   -14 4  o 286.246 5.4104  11014.53  414.809   10945.97  586.792   11083.02  586.464   285.352 7.6774  287.140 7.6253  -1.788239      10.82074 
1 1 1 7   -14 5  o 64.868  1.8342  563.797   31.848    537.246   44.795    590.935   45.288    63.323  2.6411  66.413  2.5459  -3.089790      3.668379 
1 1 1 7   -14 6  o 187.750 3.6478  4729.00   183.422   4646.10   259.174   4812.19   259.621   186.099 5.1995  189.401 5.1176  -3.302124      7.295518 
1 1 1 7   -14 7  o 299.958 5.6106  12099.74  450.732   12291.41  637.256   11907.86  637.607   302.346 7.8690  297.571 7.9997  4.774597       11.22126 
1 1 1 7   -14 8  o 138.483 2.7774  2570.95   103.018   2557.50   145.306   2584.55   146.077   138.119 3.9277  138.847 3.9279  -0.7284851     5.554734 
1 1 1 7   -14 9  o 70.801  1.8597  671.646   35.265    669.868   49.555    673.470   50.196    70.706  2.6166  70.896  2.6434  -0.1894913     3.719430 
1 1 1 7   -14 10 o 188.846 3.6583  4786.01   185.044   4804.42   261.447   4767.52   261.936   189.211 5.1588  188.480 5.1885  0.7302399      7.316664 
1 1 1 7   -14 11 o 160.788 3.2015  3468.33   137.877   3477.42   194.877   3459.22   195.098   161.000 4.5191  160.577 4.5361  0.4229736      6.402965 
1 1 1 7   -14 12 f 289.732 5.4766  11305.89  425.000   11376.24  601.250   11235.64  600.832   290.638 7.7235  288.827 7.7665  1.810669       10.95314 
1 1 1 7   -14 13 o 175.693 3.4327  4144.36   161.517   4239.28   229.030   4050.44   227.814   177.698 4.8120  173.688 4.8969  4.010513       6.865468 
1 1 1 7   -14 14 o 292.126 5.4714  11511.50  428.113   11561.21  606.259   11462.06  604.629   292.757 7.7315  291.495 7.7441  1.261475       10.94286 
1 1 1 7   -14 15 o 78.951  2.0073  835.839   42.420    831.797   61.049    839.613   58.986    78.764  2.8937  79.137  2.7828  -0.3725815     4.014668 
1 1 1 7   -14 16 o 152.144 3.0781  3108.48   125.414   3193.28   178.573   3025.94   176.176   154.194 4.3237  150.094 4.3822  4.100357       6.156194 
1 1 1 7   -14 17 o 179.211 3.5501  4319.42   170.402   4375.99   242.138   4263.93   239.847   180.374 5.0119  178.047 5.0293  2.327164       7.100214 
1 1 1 7   -14 18 o 104.367 3.4057  1461.95   95.204    1461.95   95.204    0.0000    0.0000    104.367 3.4057  ?       ?       ?              ?        
1 1 1 7   -14 19 o 54.997  2.6439  405.651   38.946    405.651   38.946    0.0000    0.0000    54.997  2.6439  ?       ?       ?              ?        
1 1 1 7   -14 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -14 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -14 22 o 117.421 3.7067  1852.82   116.579   0.0000    0.0000    1852.82   116.579   ?       ?       117.421 3.7067  ?              ?        
1 1 1 7   -14 23 o 124.178 3.8606  2073.18   128.408   0.0000    0.0000    2073.18   128.408   ?       ?       124.178 3.8606  ?              ?        
1 1 1 7   -14 24 o 27.628  3.5015  104.192   25.330    0.0000    0.0000    104.192   25.330    ?       ?       27.628  3.5015  ?              ?        
1 1 1 7   -14 25 o 9.1056  2.7708  -2.3213   12.364    2.8086    17.301    -7.6768   17.677    9.7122  4.0356  8.4990  3.7979  1.213133       5.541649 
1 1 1 7   -14 26 o 214.066 4.2533  6210.66   243.799   6371.14   344.258   6049.19   345.314   216.877 5.9263  211.254 6.1027  5.622879       8.506646 
1 1 1 7   -14 27 o 49.850  2.0716  335.052   27.534    336.759   38.660    333.296   39.223    49.983  2.9002  49.718  2.9588  0.2651825      4.143106 
1 1 1 7   -14 28 o 40.379  2.1584  220.546   23.168    223.628   32.669    217.428   32.860    40.668  3.0207  40.089  3.0839  0.5789719      4.316823 
1 1 1 7   -14 29 o 68.213  2.1876  626.801   39.944    636.075   55.774    617.035   57.234    68.739  3.0293  67.688  3.1569  1.051575       4.375193 
1 1 1 7   -14 30 o 17.460  3.3410  42.854    15.998    43.343    22.193    42.325    23.082    17.547  4.6479  17.373  4.8007  0.1742210      6.682051 
1 1 1 7   -14 31 o 34.549  2.3247  163.865   21.063    183.868   29.476    142.992   30.109    36.786  3.0182  32.313  3.5366  4.472874       4.649380 
1 1 1 7   -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -14 33 o 58.032  2.0441  456.513   31.545    460.413   47.156    453.353   42.440    58.183  3.0364  57.880  2.7375  0.3036385      4.088225 
1 1 1 7   -14 34 o 82.415  2.2582  926.090   49.672    919.449   73.244    931.744   67.589    82.079  3.3316  82.752  3.0494  -0.6726990     4.516449 
1 1 1 7   -14 35 o 32.401  2.2766  150.031   18.601    121.873   28.975    169.768   24.259    29.530  3.7477  35.272  2.5858  -5.742500      4.553188 
1 1 1 7   -14 36 o 48.545  2.0656  323.287   26.437    321.389   40.399    324.708   34.962    48.335  3.1375  48.756  2.6876  -0.4210281     4.131171 
1 1 1 7   -14 37 o 36.789  2.2693  195.150   21.090    150.174   32.209    228.902   27.903    32.676  3.7479  40.901  2.5598  -8.225594      4.538686 
1 1 1 7   -14 38 o 20.079  2.8419  55.506    14.308    71.713    24.165    46.756    17.756    22.197  4.2187  17.961  3.8090  4.235918       5.683812 
1 1 1 7   -14 39 o 15.458  3.1179  35.085    13.256    36.361    21.683    34.324    16.751    15.658  4.7531  15.257  4.0365  0.4008904      6.235846 
1 1 1 7   -14 40 o 30.295  2.4833  131.261   19.207    132.252   30.926    130.638   24.507    30.151  3.9223  30.439  3.0467  -0.2886353     4.966549 
1 1 1 7   -14 41 o 23.698  2.9546  82.211    17.429    93.103    29.412    76.316    21.637    24.613  4.6312  22.783  3.6702  1.829790       5.909228 
1 1 1 7   -14 42 o 27.561  2.9043  118.699   19.433    101.787   32.029    128.551   24.446    25.257  4.9114  29.865  3.1013  -4.608398      5.808618 
1 1 1 7   -14 43 o 24.123  3.2332  99.166    18.879    73.778    31.657    113.178   23.519    20.499  5.6048  27.746  3.2248  -7.247358      6.466306 
1 1 1 7   -14 44 o 28.663  2.7503  124.326   19.907    139.382   33.103    115.797   24.915    29.585  4.3036  27.742  3.4258  1.843132       5.500615 
1 1 1 7   -14 45 o 9.9142  2.9950  7.6666    13.224    1.9081    25.348    9.8200    15.501    10.216  4.5577  9.6125  3.8866  0.6034698      5.989902 
1 1 1 7   -14 46 o 23.757  3.4827  100.200   20.051    93.881    35.739    103.103   24.222    21.816  5.9512  25.698  3.6193  -3.882294      6.965316 
1 1 1 7   -14 47 o 7.2347  2.4810  -20.6675  12.503    -8.1240   23.761    -25.4699  14.703    8.8225  4.1118  5.6469  2.7775  3.175597       4.961952 
1 1 1 7   -14 48 o 8.4509  2.7991  -5.3297   13.542    2.9552    27.174    -8.0671   15.620    9.8327  4.5166  7.0692  3.3075  2.763525       5.598185 
1 1 1 7   -13 0  o 296.697 5.6096  11831.61  445.694   11547.50  630.549   12115.29  630.063   293.124 8.0312  300.270 7.8340  -7.145477      11.21923 
1 1 1 7   -13 1  o 82.114  2.0741  903.402   45.615    902.871   64.843    903.923   64.182    82.090  2.9491  82.138  2.9173  -0.4822540E-01 4.148201 
1 1 1 7   -13 2  o 313.454 5.8985  13202.26  495.226   13187.75  700.897   13216.73  699.815   313.280 8.3528  313.627 8.3307  -0.3467407     11.79700 
1 1 1 7   -13 3  o 243.986 4.6818  7988.58   305.955   7956.80   432.997   8020.28   432.377   243.500 6.6389  244.472 6.6030  -0.9720154     9.363511 
1 1 1 7   -13 4  o 202.895 3.9950  5521.92   217.064   5391.33   306.982   5652.51   306.969   200.492 5.7164  205.298 5.5824  -4.805954      7.990049 
1 1 1 7   -13 5  o 208.073 3.9698  5806.55   221.235   5861.23   312.814   5751.83   312.932   209.054 5.5865  207.091 5.6416  1.963089       7.939524 
1 1 1 7   -13 6  o 424.579 7.8237  24277.37  889.731   24345.36  1258.04   24209.34  1258.50   425.177 11.047  423.980 11.082  1.196960       15.64744 
1 1 1 7   -13 7  o 284.461 5.2950  10866.49  403.357   10601.60  569.857   11132.45  571.010   280.978 7.5719  287.944 7.4037  -6.965637      10.58998 
1 1 1 7   -13 8  o 334.699 6.2236  15059.78  557.926   14922.34  788.623   15197.50  789.430   333.165 8.8373  336.233 8.7657  -3.068054      12.44729 
1 1 1 7   -13 9  o 226.458 4.2820  6881.37   259.723   6939.37   367.099   6823.25   367.508   227.416 6.0266  225.501 6.0846  1.914963       8.563993 
1 1 1 7   -13 10 o 234.066 4.4549  7354.55   279.244   7516.54   394.890   7192.53   394.932   236.650 6.2299  231.482 6.3697  5.168060       8.909781 
1 1 1 7   -13 11 o 168.851 3.3084  3823.55   149.621   3870.68   211.769   3776.58   211.423   169.891 4.6537  167.811 4.7038  2.080063       6.616850 
1 1 1 7   -13 12 o 307.354 5.7748  12711.43  475.378   12884.70  672.927   12538.82  671.646   309.454 8.1186  305.255 8.2146  4.198669       11.54957 
1 1 1 7   -13 13 o 123.924 2.5984  2058.76   86.243    2075.17   122.756   2042.77   121.190   124.411 3.6838  123.436 3.6655  0.9745941      5.196766 
1 1 1 7   -13 14 o 102.940 2.3165  1419.99   63.858    1457.20   91.349    1384.43   89.304    104.258 3.2712  101.621 3.2809  2.636749       4.633046 
1 1 1 7   -13 15 o 211.982 4.1156  6041.65   233.643   5955.74   331.532   6126.42   329.323   210.476 5.8808  213.488 5.7592  -3.011322      8.231122 
1 1 1 7   -13 16 o 52.305  1.7901  366.793   25.034    365.102   36.461    368.302   34.434    52.190  2.6083  52.421  2.4524  -0.2309074     3.580158 
1 1 1 7   -13 17 o 61.993  1.8981  515.680   31.477    504.917   45.383    525.658   43.696    61.367  2.7610  62.618  2.6053  -1.251671      3.796140 
1 1 1 7   -13 18 o 230.907 4.4591  7188.99   275.759   7315.25   390.672   7063.62   389.296   232.938 6.2616  228.875 6.3503  4.063065       8.918125 
1 1 1 7   -13 19 o 149.943 4.3820  3021.96   175.989   3021.96   175.989   0.0000    0.0000    149.943 4.3820  ?       ?       ?              ?        
1 1 1 7   -13 20 f 102.262 3.3775  1403.80   92.513    1403.80   92.513    0.0000    0.0000    102.262 3.3775  ?       ?       ?              ?        
1 1 1 7   -13 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -13 22 o 75.569  4.4228  770.978   89.132    0.0000    0.0000    770.978   89.132    ?       ?       75.569  4.4228  ?              ?        
1 1 1 7   -13 23 o 100.528 3.4569  1357.51   93.081    0.0000    0.0000    1357.51   93.081    ?       ?       100.528 3.4569  ?              ?        
1 1 1 7   -13 24 o 96.714  3.4317  1256.57   88.898    0.0000    0.0000    1256.57   88.898    ?       ?       96.714  3.4317  ?              ?        
1 1 1 7   -13 25 o 70.623  2.6007  663.924   46.670    696.463   80.190    647.257   57.391    71.818  4.1868  69.428  3.0862  2.390358       5.201357 
1 1 1 7   -13 26 o 93.925  2.3946  1185.51   60.239    1178.26   84.559    1192.99   85.835    93.634  3.3716  94.215  3.4014  -0.5806503     4.789284 
1 1 1 7   -13 27 o 74.186  2.2013  739.672   43.731    746.028   61.352    733.108   62.350    74.513  3.0740  73.858  3.1517  0.6542740      4.402609 
1 1 1 7   -13 28 o 113.667 2.6857  1742.96   81.659    1823.36   114.613   1660.08   116.374   116.354 3.6776  110.980 3.9149  5.373390       5.371333 
1 1 1 7   -13 29 o 25.167  2.6619  87.196    17.380    82.900    24.165    91.801    25.015    24.505  3.8050  25.829  3.7234  -1.323608      5.323727 
1 1 1 7   -13 30 o 100.082 2.5350  1351.36   67.915    1289.17   94.585    1417.56   97.577    97.700  3.6144  102.464 3.5554  -4.763466      5.070011 
1 1 1 7   -13 31 o 15.552  2.6258  37.580    12.018    7.9926    19.357    56.141    15.331    10.903  4.3661  20.200  2.9181  -9.296975      5.251515 
1 1 1 7   -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -13 33 o 54.617  2.0285  405.980   29.351    391.723   44.029    417.384   39.377    53.664  3.0759  55.570  2.6455  -1.906067      4.057098 
1 1 1 7   -13 34 f 32.190  2.0945  136.786   17.509    177.310   27.900    110.458   22.489    36.023  2.9167  28.358  3.0067  7.665180       4.188910 
1 1 1 7   -13 35 o 59.803  2.0888  487.255   33.159    492.576   50.030    483.086   44.283    59.996  3.1241  59.610  2.7735  0.3861885      4.177567 
1 1 1 7   -13 36 o 43.055  2.1252  259.001   23.817    226.338   36.074    284.242   31.712    40.464  3.3588  45.646  2.6045  -5.182743      4.250306 
1 1 1 7   -13 37 o 20.337  2.7952  60.040    14.310    56.351    22.976    62.378    18.291    19.642  4.4680  21.032  3.3601  -1.390285      5.590473 
1 1 1 7   -13 38 o 31.561  2.4366  143.954   19.289    122.324   30.643    158.148   24.824    29.264  4.0153  33.858  2.7613  -4.594297      4.873163 
1 1 1 7   -13 39 o 36.211  2.3261  186.432   21.496    173.859   34.540    194.381   27.464    34.949  3.7483  37.472  2.7556  -2.523514      4.652195 
1 1 1 7   -13 40 o 44.402  2.3192  282.982   26.483    256.291   41.788    300.897   34.236    42.284  3.7278  46.519  2.7600  -4.235664      4.638304 
1 1 1 7   -13 41 o 35.487  3.2090  193.253   25.393    180.352   49.255    197.923   29.635    33.553  5.6835  37.421  2.9814  -3.867950      6.417973 
1 1 1 7   -13 42 o 15.582  3.3367  38.332    14.726    37.608    25.231    38.706    18.134    15.383  5.1766  15.782  4.2117  -0.3987675     6.673499 
1 1 1 7   -13 43 o 20.695  3.1975  65.058    16.516    82.493    28.671    56.400    20.205    22.406  4.9127  18.983  4.0941  3.422586       6.395027 
1 1 1 7   -13 44 o 11.631  3.0492  19.335    13.645    -2.4140   25.463    28.097    16.162    9.9746  4.4993  13.288  4.1165  -3.313317      6.098354 
1 1 1 7   -13 45 o 20.655  3.4875  70.872    18.326    83.940    31.275    64.039    22.615    21.599  5.4158  19.711  4.3954  1.887938       6.974996 
1 1 1 7   -13 46 o 19.813  3.6250  68.601    18.191    77.226    33.790    65.081    21.587    19.732  5.9211  19.894  4.1838  -0.1622219     7.250074 
1 1 1 7   -13 47 o 24.527  3.4818  103.873   20.992    123.791   36.785    94.253    25.563    25.332  5.5729  23.723  4.1755  1.608391       6.963581 
1 1 1 7   -13 48 o 19.553  3.7522  81.804    20.017    74.702    36.773    84.795    23.861    17.133  6.2141  21.973  4.2074  -4.840837      7.504471 
1 1 1 7   -12 0  o 363.121 6.7889  17724.01  660.298   17780.14  934.332   17668.01  933.273   363.697 9.5912  362.545 9.6108  1.151428       13.57784 
1 1 1 7   -12 1  o 191.787 3.7561  4931.31   192.938   5005.76   273.467   4857.52   272.250   193.229 5.2838  190.344 5.3400  2.884705       7.512215 
1 1 1 7   -12 2  f 189.333 3.7149  4805.78   188.392   4798.56   266.902   4812.95   265.954   189.191 5.2670  189.475 5.2404  -0.2845154     7.429879 
1 1 1 7   -12 3  o 314.805 5.8700  13306.05  494.957   13269.38  700.258   13342.66  699.693   314.370 8.3163  315.240 8.2866  -0.8698120     11.74002 
1 1 1 7   -12 4  o 105.503 2.3580  1491.30   66.633    1484.64   94.167    1497.98   94.301    105.267 3.3398  105.739 3.3296  -0.4721451     4.715978 
1 1 1 7   -12 5  o 261.383 4.9585  9166.78   347.138   9252.71   490.783   9080.75   491.071   262.611 6.9773  260.155 7.0473  2.456482       9.917018 
1 1 1 7   -12 6  o 203.700 3.9106  5563.37   213.360   5506.47   301.341   5620.58   302.135   202.654 5.5515  204.745 5.5093  -2.090820      7.821273 
1 1 1 7   -12 7  o 503.358 9.2659  34158.76  1249.14   33575.42  1765.76   34743.13  1767.33   499.029 13.210  507.687 12.997  -8.658112      18.53185 
1 1 1 7   -12 8  o 360.097 6.6533  17427.44  641.721   17476.65  907.301   17378.19  907.761   360.608 9.3935  359.587 9.4249  1.021484       13.30666 
1 1 1 7   -12 9  o 479.000 8.8387  30929.50  1133.97   31221.36  1603.73   30637.69  1603.61   481.275 12.441  476.726 12.559  4.549042       17.67750 
1 1 1 7   -12 10 o 276.101 5.2118  10234.87  385.380   10436.26  545.267   10033.86  544.753   278.821 7.3012  273.381 7.4395  5.440704       10.42370 
1 1 1 7   -12 11 o 301.063 5.6567  12176.87  456.139   12069.72  645.524   12283.71  644.633   299.736 8.0405  302.390 7.9589  -2.654907      11.31349 
1 1 1 7   -12 12 o 205.888 3.9762  5687.04   219.268   5655.90   310.869   5717.88   309.320   205.326 5.6526  206.451 5.5937  -1.125732      7.952439 
1 1 1 7   -12 13 o 413.433 7.6864  23062.24  851.154   23271.50  1204.93   22853.83  1202.50   415.316 10.832  411.550 10.909  3.765503       15.37285 
1 1 1 7   -12 14 o 161.572 3.2395  3502.55   140.157   3442.55   199.333   3561.21   197.111   160.199 4.6455  162.944 4.5163  -2.744644      6.478990 
1 1 1 7   -12 15 o 248.851 4.7370  8326.60   315.737   8385.83   447.738   8268.00   445.312   249.732 6.6936  247.969 6.7047  1.762329       9.474018 
1 1 1 7   -12 16 o 174.988 3.4964  4113.14   163.814   4003.35   232.413   4221.53   230.930   172.659 5.0255  177.317 4.8623  -4.657944      6.992702 
1 1 1 7   -12 17 o 46.358  1.7770  288.627   21.967    295.732   31.803    282.144   30.379    46.903  2.5409  45.814  2.4849  1.089642       3.554062 
1 1 1 7   -12 18 o 202.055 3.9665  5493.96   214.638   5601.16   303.853   5387.21   303.235   204.031 5.5601  200.079 5.6583  3.951401       7.932905 
1 1 1 7   -12 19 o 81.975  3.0066  901.376   66.015    901.376   66.015    0.0000    0.0000    81.975  3.0066  ?       ?       ?              ?        
1 1 1 7   -12 20 o 130.900 3.9804  2301.81   139.559   2301.81   139.559   0.0000    0.0000    130.900 3.9804  ?       ?       ?              ?        
1 1 1 7   -12 21 o 91.037  3.1925  1112.33   77.847    1112.33   77.847    0.0000    0.0000    91.037  3.1925  ?       ?       ?              ?        
1 1 1 7   -12 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -12 23 f 40.111  2.7822  216.912   29.707    0.0000    0.0000    216.912   29.707    ?       ?       40.111  2.7822  ?              ?        
1 1 1 7   -12 24 o 10.790  4.1265  10.594    16.640    0.0000    0.0000    10.594    16.640    ?       ?       10.790  4.1265  ?              ?        
1 1 1 7   -12 25 o 99.078  3.5032  1319.03   92.967    0.0000    0.0000    1319.03   92.967    ?       ?       99.078  3.5032  ?              ?        
1 1 1 7   -12 26 o 133.926 2.9495  2413.95   105.797   2380.54   148.507   2448.37   150.756   132.986 4.1692  134.867 4.1733  -1.880844      5.899044 
1 1 1 7   -12 27 o 11.573  3.0286  13.761    12.476    10.990    17.216    16.826    18.105    10.973  4.1970  12.173  4.3676  -1.200129      6.057271 
1 1 1 7   -12 28 o 146.926 3.1500  2912.90   123.938   2826.22   173.945   3002.28   176.636   144.698 4.4881  149.154 4.4214  -4.456223      6.300094 
1 1 1 7   -12 29 o 70.012  2.0612  656.441   38.570    706.067   56.783    613.929   52.556    72.458  2.9258  67.567  2.9040  4.890823       4.122314 
1 1 1 7   -12 30 o 66.736  2.1584  607.531   38.045    527.013   55.486    678.976   52.266    62.432  3.3301  71.039  2.7468  -8.606834      4.316762 
1 1 1 7   -12 31 o 65.274  2.0749  574.292   36.134    575.793   53.558    573.038   48.955    65.334  3.0606  65.215  2.8026  0.1186371      4.149882 
1 1 1 7   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -12 33 o 73.783  2.1708  738.351   42.720    730.766   63.208    744.729   57.961    73.392  3.2154  74.174  2.9174  -0.7822723     4.341690 
1 1 1 7   -12 34 o 40.031  2.0397  216.214   21.532    235.273   33.195    202.372   28.290    41.515  3.0056  38.547  2.7583  2.967945       4.079407 
1 1 1 7   -12 35 o 18.507  2.7299  46.470    12.802    60.476    21.145    38.364    16.086    20.620  3.9726  16.394  3.7454  4.225937       5.459761 
1 1 1 7   -12 36 o 39.742  2.0958  216.686   21.813    217.314   33.884    216.243   28.506    39.708  3.2134  39.777  2.6914  -0.6916809E-01 4.191617 
1 1 1 7   -12 37 o 23.562  2.5332  76.715    15.105    85.734    24.706    71.332    19.088    24.563  3.8843  22.561  3.2527  2.002636       5.066380 
1 1 1 7   -12 38 o 25.470  2.5047  89.705    16.227    100.808   26.515    83.057    20.518    26.612  3.8302  24.328  3.2285  2.283928       5.009338 
1 1 1 7   -12 39 o 23.271  2.7536  79.055    15.973    74.804    25.926    81.655    20.278    22.496  4.4603  24.045  3.2302  -1.548517      5.507137 
1 1 1 7   -12 40 o 17.990  3.0348  52.511    14.746    30.210    24.098    65.859    18.644    14.560  5.0548  21.420  3.3601  -6.859596      6.069696 
1 1 1 7   -12 41 o 36.484  2.7951  210.128   23.821    147.877   39.409    245.968   29.902    31.005  4.9089  41.962  2.6744  -10.95769      5.590166 
1 1 1 7   -12 42 o 7.3511  2.4398  -12.3896  11.363    -16.1322  20.210    -10.6598  13.740    7.9821  3.7434  6.7201  3.1302  1.261923       4.879673 
1 1 1 7   -12 43 o 32.202  2.5839  150.946   21.222    172.821   35.356    138.625   26.534    33.665  3.9992  30.739  3.2731  2.925789       5.167795 
1 1 1 7   -12 44 o 14.620  3.2861  37.086    15.575    16.846    27.460    46.685    18.911    12.190  5.0762  17.050  4.1744  -4.860399      6.572191 
1 1 1 7   -12 45 o 11.140  3.1723  15.470    14.468    1.9731    27.456    20.659    17.023    10.572  4.7279  11.708  4.2309  -1.136835      6.344575 
1 1 1 7   -12 46 o 20.695  3.5665  70.199    18.534    96.567    33.342    58.408    22.296    22.866  5.5092  18.525  4.5309  4.340965       7.133048 
1 1 1 7   -12 47 o 13.563  3.1791  33.034    17.443    -14.9800  31.713    53.859    20.886    9.5781  4.5510  17.547  4.4402  -7.969107      6.358181 
1 1 1 7   -12 48 o 12.294  3.3944  28.669    16.197    19.677    30.780    32.112    19.047    11.517  5.0863  13.071  4.4964  -1.554777      6.788783 
1 1 1 7   -11 0  o 592.774 10.958  47445.63  1739.47   46277.31  2459.54   48614.79  2460.42   585.414 15.686  600.134 15.306  -14.72034      21.91631 
1 1 1 7   -11 1  o 231.778 4.4588  7203.95   276.798   7277.65   392.078   7130.72   390.827   232.960 6.2835  230.595 6.3277  2.365768       8.917517 
1 1 1 7   -11 2  o 457.023 8.4360  28104.01  1032.66   27902.88  1460.74   28304.95  1460.06   455.381 11.976  458.666 11.885  -3.285431      16.87208 
1 1 1 7   -11 3  o 164.392 3.3076  3621.91   145.639   3607.90   206.100   3635.88   205.831   164.074 4.6897  164.710 4.6655  -0.6356812     6.615196 
1 1 1 7   -11 4  o 132.502 2.7102  2352.66   96.164    2288.55   135.793   2417.15   136.202   130.690 3.8792  134.314 3.7859  -3.623337      5.420482 
1 1 1 7   -11 5  o 394.438 7.2506  20911.88  765.859   21419.29  1083.20   20404.68  1082.98   399.240 10.129  389.636 10.377  9.603271       14.50129 
1 1 1 7   -11 6  o 165.281 3.2397  3661.20   143.400   3582.23   202.379   3740.83   203.221   163.490 4.6215  167.072 4.5413  -3.582184      6.479321 
1 1 1 7   -11 7  o 434.931 8.0331  25449.71  935.617   26069.91  1323.36   24829.87  1322.96   440.253 11.222  429.609 11.497  10.64401       16.06628 
1 1 1 7   -11 8  o 286.057 5.3437  10980.97  409.437   10995.63  578.870   10966.30  579.192   286.249 7.5500  285.866 7.5643  0.3830872      10.68748 
1 1 1 7   -11 9  o 59.841  1.7326  479.865   27.759    466.959   39.415    492.565   39.101    59.042  2.4924  60.640  2.4073  -1.597706      3.465142 
1 1 1 7   -11 10 o 280.588 5.2737  10566.71  396.334   10491.07  560.922   10642.12  560.081   279.583 7.4904  281.594 7.4257  -2.010712      10.54737 
1 1 1 7   -11 11 o 356.694 6.6286  17101.33  633.290   17022.02  896.364   17180.37  894.852   355.864 9.4040  357.523 9.3445  -1.659515      13.25726 
1 1 1 7   -11 12 o 189.829 3.6929  4831.56   187.753   4921.29   266.698   4743.40   264.362   191.577 5.1974  188.081 5.2476  3.496384       7.385852 
1 1 1 7   -11 13 o 372.823 6.9194  18707.78  690.904   18444.42  978.120   18970.04  976.054   370.189 9.8646  375.456 9.7057  -5.267426      13.83874 
1 1 1 7   -11 14 o 145.886 2.9878  2852.99   116.741   2893.52   166.147   2813.47   164.066   146.910 4.2224  144.863 4.2284  2.046616       5.975557 
1 1 1 7   -11 15 o 148.086 3.0342  2940.71   120.327   3019.03   170.909   2863.74   169.437   150.043 4.2527  146.130 4.3289  3.913284       6.068338 
1 1 1 7   -11 16 o 258.523 4.8905  8989.43   338.639   9057.23   479.265   8921.82   478.553   259.500 6.8952  257.546 6.9372  1.953918       9.781072 
1 1 1 7   -11 17 o 258.970 4.9280  9030.60   341.820   9102.13   483.578   8959.17   483.234   260.000 6.9439  257.940 6.9944  2.059998       9.855922 
1 1 1 7   -11 18 o 108.712 2.4727  1585.60   71.988    1622.64   101.820   1548.58   101.792   109.984 3.4563  107.441 3.5372  2.543381       4.945487 
1 1 1 7   -11 19 o 46.956  1.8355  296.457   22.988    285.900   32.290    307.306   32.734    46.104  2.6257  47.809  2.5656  -1.704727      3.671082 
1 1 1 7   -11 20 o 259.308 7.0249  9086.32   487.914   9086.32   487.914   0.0000    0.0000    259.308 7.0249  ?       ?       ?              ?        
1 1 1 7   -11 21 o 39.248  2.5915  207.477   27.089    207.477   27.089    0.0000    0.0000    39.248  2.5915  ?       ?       ?              ?        
1 1 1 7   -11 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -11 23 o 90.706  4.8185  1111.03   116.648   0.0000    0.0000    1111.03   116.648   ?       ?       90.706  4.8185  ?              ?        
1 1 1 7   -11 24 o 104.021 3.5783  1453.77   99.697    0.0000    0.0000    1453.77   99.697    ?       ?       104.021 3.5783  ?              ?        
1 1 1 7   -11 25 o 218.327 6.1185  6446.60   357.802   0.0000    0.0000    6446.60   357.802   ?       ?       218.327 6.1185  ?              ?        
1 1 1 7   -11 26 o 44.238  2.1135  264.019   24.883    266.366   34.725    261.541   35.674    44.447  2.9333  44.030  3.0436  0.4174309      4.227070 
1 1 1 7   -11 27 o 104.509 2.5195  1479.32   69.980    1297.49   100.529   1650.27   97.475    98.201  3.8219  110.817 3.2840  -12.61550      5.039023 
1 1 1 7   -11 28 o 18.003  2.7392  49.114    13.014    24.413    20.020    67.191    17.127    13.838  4.6110  22.168  2.9582  -8.330521      5.478329 
1 1 1 7   -11 29 o 63.839  2.0384  546.772   34.752    562.128   51.447    533.884   47.130    64.654  2.9708  63.024  2.7919  1.630104       4.076817 
1 1 1 7   -11 30 o 27.270  2.3456  99.693    16.593    115.626   25.932    88.647    21.592    29.092  3.3915  25.448  3.2413  3.644053       4.691297 
1 1 1 7   -11 31 o 70.087  2.1095  661.411   39.462    671.610   58.498    652.895   53.456    70.565  3.0950  69.610  2.8671  0.9552689      4.218923 
1 1 1 7   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -11 33 o 99.613  2.4838  1349.76   66.109    1336.48   96.659    1361.43   90.618    99.097  3.6416  100.129 3.3788  -1.032188      4.967662 
1 1 1 7   -11 34 o 37.425  2.0786  191.666   20.410    188.004   31.225    194.398   26.968    37.051  3.1771  37.799  2.6811  -0.7478142     4.157172 
1 1 1 7   -11 35 o 71.907  2.2148  708.985   42.286    671.600   63.103    739.456   56.969    70.079  3.3618  73.735  2.8845  -3.656517      4.429692 
1 1 1 7   -11 36 o 46.557  2.0992  296.800   25.706    298.260   39.651    295.740   33.763    46.573  3.1980  46.542  2.7202  0.3043365E-01  4.198393 
1 1 1 7   -11 37 o 17.880  2.8318  43.181    13.103    63.764    21.433    30.896    16.558    21.104  3.9364  14.656  4.0721  6.448534       5.663619 
1 1 1 7   -11 38 o 11.695  2.7634  17.296    11.550    -2.4803   18.969    28.947    14.559    9.2380  4.0391  14.152  3.7723  -4.913803      5.526718 
1 1 1 7   -11 39 o 30.874  2.4105  133.594   19.089    138.202   30.798    130.720   24.324    31.138  3.7695  30.611  3.0055  0.5273972      4.820972 
1 1 1 7   -11 40 o 26.697  2.6741  100.305   18.078    115.208   29.923    91.739    22.686    28.070  4.1009  25.323  3.4331  2.747007       5.348274 
1 1 1 7   -11 41 o 22.132  2.9919  69.355    16.509    92.077    28.264    57.588    20.340    24.658  4.4428  19.606  4.0084  5.052113       5.983800 
1 1 1 7   -11 42 o 29.597  2.7035  129.403   19.886    132.405   33.607    127.785   24.668    29.400  4.4031  29.794  3.1383  -0.3937893     5.407058 
1 1 1 7   -11 43 o 10.061  2.7203  8.6257    12.377    -27.3045  23.150    23.007    14.646    7.8126  3.7589  12.310  3.9333  -4.497586      5.440645 
1 1 1 7   -11 44 o 12.627  3.0926  25.054    13.994    4.0653    24.828    34.824    16.941    10.510  4.6074  14.745  4.1266  -4.234476      6.185252 
1 1 1 7   -11 45 o 11.422  3.2075  7.6540    13.836    38.456    26.782    -3.5597   16.159    14.864  5.3142  7.9800  3.5934  6.883561       6.415072 
1 1 1 7   -11 46 o 11.557  3.3074  7.5905    14.660    42.202    29.127    -4.1522   16.966    15.082  5.5212  8.0316  3.6431  7.049913       6.614788 
1 1 1 7   -11 47 o 12.604  5.3901  24.625    32.324    24.625    32.324    0.0000    0.0000    12.604  5.3901  ?       ?       ?              ?        
1 1 1 7   -10 0  o 330.060 6.1299  14623.93  541.915   14544.22  766.760   14703.49  766.007   329.159 8.6969  330.961 8.6410  -1.802368      12.25985 
1 1 1 7   -10 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 4  o 51.154  3.4317  352.157   46.747    352.157   46.747    0.0000    0.0000    51.154  3.4317  ?       ?       ?              ?        
1 1 1 7   -10 5  o 303.652 8.0050  12405.29  650.432   13062.89  921.391   11752.07  918.317   311.708 11.036  295.596 11.599  16.11264       16.00993 
1 1 1 7   -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 9  o 430.487 11.296  25037.61  1302.22   25621.11  1841.19   24453.58  1842.04   435.551 15.782  425.423 16.165  10.12723       22.59212 
1 1 1 7   -10 10 o 239.958 4.5665  7723.28   293.475   7630.52   415.835   7815.34   414.242   238.519 6.5089  241.396 6.4067  -2.876907      9.133015 
1 1 1 7   -10 11 o 139.371 2.8769  2603.26   107.376   2586.30   152.980   2619.74   150.751   138.923 4.1112  139.820 4.0253  -0.8971558     5.753737 
1 1 1 7   -10 12 o 101.947 2.3034  1392.37   62.880    1397.70   90.076    1387.31   87.817    102.137 3.2926  101.758 3.2220  0.3794632      4.606774 
1 1 1 7   -10 13 o 414.718 7.6765  23154.79  852.693   22975.27  1206.63   23333.88  1205.16   413.103 10.905  416.334 10.807  -3.230988      15.35299 
1 1 1 7   -10 14 o 146.677 3.0160  2883.86   118.485   2923.10   168.014   2845.03   167.117   147.670 4.2478  145.684 4.2827  1.986465       6.032043 
1 1 1 7   -10 15 o 482.645 8.9429  31508.62  1155.93   30888.26  1634.40   32129.49  1635.06   477.845 12.770  487.445 12.523  -9.599518      17.88571 
1 1 1 7   -10 16 o 157.940 3.2145  3346.11   135.984   3358.61   192.224   3333.59   192.395   158.236 4.5354  157.644 4.5564  0.5916748      6.428916 
1 1 1 7   -10 17 o 164.862 3.3498  3648.38   147.899   3713.75   208.940   3582.72   209.382   166.346 4.6894  163.378 4.7847  2.968170       6.699565 
1 1 1 7   -10 18 o 200.400 3.9324  5398.84   211.073   5433.06   298.048   5364.40   298.958   201.041 5.5349  199.759 5.5875  1.281433       7.864825 
1 1 1 7   -10 19 o 203.031 3.9888  5547.71   216.855   5686.29   306.156   5408.19   307.204   205.590 5.5597  200.473 5.7212  5.117035       7.977602 
1 1 1 7   -10 20 o 116.544 2.6309  1825.73   82.006    1924.79   115.391   1724.66   116.565   119.751 3.5975  113.337 3.8398  6.413979       5.261771 
1 1 1 7   -10 21 o 50.217  2.6119  339.084   35.010    339.084   35.010    0.0000    0.0000    50.217  2.6119  ?       ?       ?              ?        
1 1 1 7   -10 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 24 o 115.912 3.7776  1805.67   117.282   0.0000    0.0000    1805.67   117.282   ?       ?       115.912 3.7776  ?              ?        
1 1 1 7   -10 25 o 96.517  3.2835  1251.05   84.886    0.0000    0.0000    1251.05   84.886    ?       ?       96.517  3.2835  ?              ?        
1 1 1 7   -10 26 o 90.486  2.7918  1082.66   62.750    1150.73   113.758   1052.89   75.231    92.427  4.5951  88.545  3.1721  3.882477       5.583626 
1 1 1 7   -10 27 o 21.102  2.4782  59.857    13.347    72.771    20.981    51.079    17.298    23.005  3.5166  19.198  3.4926  3.807207       4.956327 
1 1 1 7   -10 28 o 100.970 2.5309  1383.98   67.812    1205.82   97.934    1548.09   93.990    94.632  3.8637  107.307 3.2701  -12.67481      5.061808 
1 1 1 7   -10 29 o 104.704 2.4493  1471.16   68.416    1667.38   99.689    1296.46   94.065    111.300 3.3440  98.107  3.5796  13.19315       4.898574 
1 1 1 7   -10 30 o 96.049  2.4160  1245.91   61.995    1207.98   90.126    1279.97   85.413    94.632  3.5557  97.465  3.2718  -2.832664      4.831922 
1 1 1 7   -10 31 o 75.622  2.2168  775.576   44.594    726.685   65.739    817.251   60.695    73.365  3.3454  77.879  2.9097  -4.513809      4.433695 
1 1 1 7   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -10 33 o 67.235  2.1290  612.279   38.149    609.258   56.774    614.767   51.511    67.047  3.1614  67.424  2.8523  -0.3769302     4.257982 
1 1 1 7   -10 34 o 35.528  2.1109  171.754   19.646    176.994   30.480    168.031   25.696    35.940  3.1997  35.116  2.7540  0.8245010      4.221707 
1 1 1 7   -10 35 o 15.054  2.8668  33.032    11.714    27.184    19.308    36.438    14.735    14.096  4.5175  16.012  3.5308  -1.915615      5.733592 
1 1 1 7   -10 36 o 35.420  2.1150  167.857   19.538    197.397   31.369    149.134   24.974    37.876  3.1198  32.964  2.8567  4.911987       4.230093 
1 1 1 7   -10 37 o 17.343  2.8819  47.556    13.389    25.438    22.156    60.278    16.804    13.936  4.8464  20.750  3.1201  -6.814208      5.763855 
1 1 1 7   -10 38 o 37.053  2.2465  192.846   21.441    180.249   33.881    201.260   27.690    35.851  3.5761  38.255  2.7201  -2.404221      4.493028 
1 1 1 7   -10 39 o 31.627  2.3540  137.489   19.132    154.681   31.452    127.391   24.104    33.044  3.6124  30.211  3.0192  2.832899       4.708021 
1 1 1 7   -10 40 o 36.114  3.7840  187.387   36.059    187.387   36.059    0.0000    0.0000    36.114  3.7840  ?       ?       ?              ?        
1 1 1 7   -10 41 o 26.957  2.9633  114.333   18.843    89.845    31.966    127.373   23.327    23.896  5.1465  30.017  2.9390  -6.121405      5.926523 
1 1 1 7   -10 42 o 22.489  3.0504  76.315    16.804    82.567    29.297    73.249    20.514    22.723  4.9534  22.255  3.5615  0.4677849      6.100866 
1 1 1 7   -10 43 o 23.682  3.2466  96.374    18.419    69.472    31.876    109.858   22.568    19.909  5.6920  27.454  3.1246  -7.545536      6.493181 
1 1 1 7   -10 44 o 9.5456  2.8356  4.8917    13.061    -16.0378  23.167    14.644    15.814    8.4892  3.9898  10.602  4.0303  -2.112756      5.671134 
1 1 1 7   -10 45 o 16.390  3.5606  43.693    16.183    57.791    29.076    37.365    19.480    17.794  5.5230  14.986  4.4954  2.807950       7.121257 
1 1 1 7   -10 46 o 32.844  3.0412  173.154   24.352    181.849   42.419    168.879   29.741    32.376  5.0568  33.313  3.3800  -0.9362221     6.082417 
1 1 1 7   -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -9  0  o 136.258 2.8457  2487.72   103.857   2487.58   147.239   2487.86   146.516   136.254 4.0344  136.262 4.0144  -0.8087158E-02 5.691412 
1 1 1 7   -9  1  o 177.371 3.5179  4216.68   167.103   4318.70   236.911   4115.68   235.733   179.507 4.9273  175.235 5.0224  4.272690       7.035864 
1 1 1 7   -9  2  o 469.588 8.7099  29673.91  1095.51   29754.90  1549.69   29593.00  1548.88   470.231 12.304  468.944 12.331  1.286041       17.41974 
1 1 1 7   -9  3  o 321.614 6.0243  13887.68  518.770   13451.02  733.276   14325.23  734.028   316.540 8.6487  326.688 8.3886  -10.14749      12.04859 
1 1 1 7   -9  4  o 153.613 3.0581  3162.12   125.823   3164.08   177.622   3160.14   178.261   153.661 4.3156  153.565 4.3339  0.9600830E-01  6.116120 
1 1 1 7   -9  5  o 443.608 8.1814  26469.31  972.068   26732.48  1374.56   26206.02  1374.86   445.823 11.511  441.392 11.629  4.431213       16.36271 
1 1 1 7   -9  6  o 296.756 5.5213  11817.54  438.845   11935.36  620.478   11699.61  620.764   298.239 7.7673  295.273 7.8490  2.966187       11.04257 
1 1 1 7   -9  7  o 208.788 3.9966  5844.33   223.491   5912.86   316.100   5775.82   316.028   210.014 5.6194  207.563 5.6844  2.450348       7.993126 
1 1 1 7   -9  8  o 240.861 4.5551  7780.14   293.862   7734.46   416.104   7825.60   415.066   240.154 6.4688  241.568 6.4149  -1.413559      9.110202 
1 1 1 7   -9  9  o 694.885 25.857  66085.42  4812.51   66085.42  4812.51   0.0000    0.0000    694.885 25.857  ?       ?       ?              ?        
1 1 1 7   -9  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -9  11 o 75.476  1.9732  763.114   39.869    763.212   57.326    763.021   55.485    75.480  2.8355  75.471  2.7448  0.8758545E-02  3.946396 
1 1 1 7   -9  12 o 158.273 3.1807  3357.21   134.831   3415.24   191.370   3300.00   189.998   159.632 4.4757  156.915 4.5206  2.717606       6.361453 
1 1 1 7   -9  13 o 122.303 2.6339  2004.31   86.282    2021.29   122.311   1987.48   121.732   122.818 3.7180  121.787 3.7318  1.031487       5.267835 
1 1 1 7   -9  14 o 250.767 4.7712  8440.26   320.403   8645.81   453.261   8234.97   452.975   253.825 6.6669  247.709 6.8272  6.116257       9.542472 
1 1 1 7   -9  15 o 240.042 4.5826  7734.26   294.629   7669.73   416.332   7799.00   417.006   239.037 6.5026  241.047 6.4588  -2.009628      9.165138 
1 1 1 7   -9  16 o 116.208 2.5702  1810.19   79.998    1812.97   112.670   1807.36   113.605   116.298 3.6170  116.117 3.6527  0.1811600      5.140491 
1 1 1 7   -9  17 o 87.198  2.1871  1019.04   51.079    1010.64   71.790    1027.65   72.692    86.834  3.0866  87.561  3.0995  -0.7274475     4.374259 
1 1 1 7   -9  18 o 169.182 3.4155  3843.06   154.755   3760.34   218.125   3926.91   219.595   167.346 4.8663  171.018 4.7939  -3.672928      6.831035 
1 1 1 7   -9  19 o 78.061  2.1032  817.240   43.964    826.342   61.689    807.845   62.670    78.504  2.9338  77.618  3.0145  0.8861465      4.206435 
1 1 1 7   -9  20 o 69.428  2.0247  646.738   37.633    661.165   52.785    631.823   53.668    70.218  2.8066  68.638  2.9192  1.579391       4.049500 
1 1 1 7   -9  21 o 72.768  2.8912  710.261   56.352    710.261   56.352    0.0000    0.0000    72.768  2.8912  ?       ?       ?              ?        
1 1 1 7   -9  22 o 169.346 4.8746  3859.61   221.109   3859.61   221.109   0.0000    0.0000    169.346 4.8746  ?       ?       ?              ?        
1 1 1 7   -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -9  24 o 125.965 3.8223  2132.50   128.962   0.0000    0.0000    2132.50   128.962   ?       ?       125.965 3.8223  ?              ?        
1 1 1 7   -9  25 o 84.268  3.1363  953.388   70.790    0.0000    0.0000    953.388   70.790    ?       ?       84.268  3.1363  ?              ?        
1 1 1 7   -9  26 o 143.669 4.3181  2778.19   166.168   0.0000    0.0000    2778.19   166.168   ?       ?       143.669 4.3181  ?              ?        
1 1 1 7   -9  27 o 100.444 2.4595  1361.97   65.879    1263.47   95.342    1451.97   91.135    96.933  3.6722  103.956 3.2730  -7.022804      4.919070 
1 1 1 7   -9  28 o 110.500 2.6481  1653.36   77.892    1487.90   112.345   1806.51   108.090   105.107 3.9906  115.893 3.4821  -10.78587      5.296160 
1 1 1 7   -9  29 o 99.688  2.4748  1342.19   65.856    1272.89   95.524    1404.96   90.916    97.202  3.6690  102.175 3.3221  -4.972809      4.949513 
1 1 1 7   -9  30 o 69.015  2.1054  638.453   38.811    675.086   57.573    607.941   52.544    70.815  3.0353  67.214  2.9186  3.600838       4.210863 
1 1 1 7   -9  31 o 38.858  2.0198  200.969   20.691    234.990   31.838    176.095   27.224    41.668  2.8702  36.047  2.8427  5.621597       4.039637 
1 1 1 7   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -9  33 o 90.288  2.3523  1104.64   56.746    1128.41   83.596    1084.32   77.278    91.153  3.4240  89.424  3.2264  1.728615       4.704562 
1 1 1 7   -9  34 o 34.151  2.1186  156.419   18.960    179.944   29.709    140.256   24.626    36.269  3.0876  32.032  2.9018  4.237133       4.237152 
1 1 1 7   -9  35 o 29.184  2.2762  118.826   16.958    111.742   26.930    123.481   21.831    28.330  3.6327  30.038  2.7437  -1.708073      4.552352 
1 1 1 7   -9  36 o 42.069  2.0608  237.465   22.764    272.652   35.994    214.009   29.388    44.586  3.0320  39.552  2.7919  5.034103       4.121660 
1 1 1 7   -9  37 o 6.6889  2.2068  -10.4454  8.9242    -12.4143  16.135    -9.5776   10.712    7.4392  3.4398  5.9385  2.7653  1.500742       4.413570 
1 1 1 7   -9  38 o 42.814  2.1842  249.571   24.479    276.353   38.930    232.056   31.482    44.603  3.2816  41.025  2.8833  3.578194       4.368360 
1 1 1 7   -9  39 o 27.125  2.7207  108.694   18.096    93.929    29.632    117.475   22.851    25.239  4.5507  29.012  2.9832  -3.772795      5.441379 
1 1 1 7   -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -9  41 o 19.505  3.2096  62.853    16.131    43.601    27.911    72.510    19.767    16.650  5.4395  22.360  3.4084  -5.709267      6.419119 
1 1 1 7   -9  42 o 9.7890  2.5200  5.4075    11.729    -44.2880  22.167    24.730    13.822    6.7619  3.3418  12.816  3.7729  -6.054207      5.040081 
1 1 1 7   -9  43 o 9.4044  2.9090  0.2640    12.474    9.1297    23.889    -3.0591   14.626    11.050  4.6762  7.7588  3.4618  3.291061       5.818095 
1 1 1 7   -9  44 o 20.420  3.3947  72.604    17.571    59.538    31.391    78.566    21.205    18.098  5.7559  22.743  3.6008  -4.645679      6.789399 
1 1 1 7   -9  45 o 26.065  3.1421  104.750   19.975    127.157   35.584    94.441    24.137    27.412  5.0318  24.719  3.7645  2.693638       6.284173 
1 1 1 7   -9  46 o 14.194  3.5359  22.761    16.207    68.434    31.630    6.5011    18.872    18.764  5.7500  9.6231  4.1170  9.140751       7.071893 
1 1 1 7   -9  47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -8  0  o 327.782 6.1054  14423.03  536.028   14413.86  758.468   14432.19  757.648   327.678 8.6417  327.887 8.6269  -0.2096863     12.21077 
1 1 1 7   -8  1  o 229.533 4.3950  7064.55   270.206   7083.82   382.674   7045.40   381.588   229.845 6.2159  229.221 6.2151  0.6240540      8.790092 
1 1 1 7   -8  2  o 233.203 4.4850  7293.82   280.086   7126.50   396.196   7460.98   396.008   230.525 6.4166  235.880 6.2679  -5.354889      8.969905 
1 1 1 7   -8  3  o 171.625 3.3754  3947.69   155.164   3947.35   219.237   3948.03   219.635   171.617 4.7694  171.632 4.7776  -0.1458740E-01 6.750778 
1 1 1 7   -8  4  o 370.788 6.8219  18468.93  677.506   18557.93  957.846   18379.81  958.430   371.685 9.6212  369.891 9.6738  1.794128       13.64371 
1 1 1 7   -8  5  o 169.211 3.3075  3837.79   149.886   3906.98   211.761   3768.33   212.181   170.741 4.6304  167.682 4.7242  3.059387       6.615068 
1 1 1 7   -8  6  o 351.573 6.4732  16599.32  609.557   16706.56  862.068   16492.10  862.021   352.712 9.1250  350.434 9.1838  2.277374       12.94634 
1 1 1 7   -8  7  o 614.657 11.323  51024.00  1864.11   50732.49  2636.66   51315.32  2635.83   612.886 16.061  616.428 15.964  -3.541748      22.64562 
1 1 1 7   -8  8  o 500.266 9.1317  33699.75  1223.60   33784.82  1731.47   33614.87  1729.40   500.898 12.906  499.633 12.923  1.265076       18.26339 
1 1 1 7   -8  9  f 156.526 3.1283  3283.68   131.136   3256.13   186.618   3310.55   184.313   155.876 4.4698  157.176 4.3781  -1.299210      6.256696 
1 1 1 7   -8  10 o 113.563 2.4672  1727.78   75.042    1732.80   106.877   1722.91   105.389   113.725 3.5086  113.401 3.4697  0.3246307      4.934485 
1 1 1 7   -8  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -8  12 o 333.457 6.2236  14932.03  555.870   14890.87  786.110   14973.19  786.126   332.996 8.8136  333.918 8.7895  -0.9217224     12.44730 
1 1 1 7   -8  13 o 71.204  1.9893  679.766   37.899    714.769   53.512    644.541   53.682    73.045  2.7351  69.363  2.8894  3.682327       3.978620 
1 1 1 7   -8  14 o 539.664 9.9557  39329.80  1439.06   39510.41  2034.79   39149.08  2035.49   540.914 14.044  538.413 14.114  2.501282       19.91135 
1 1 1 7   -8  15 o 249.646 4.7608  8365.14   318.341   8319.61   449.596   8410.91   450.810   248.964 6.7421  250.328 6.7235  -1.363892      9.521637 
1 1 1 7   -8  16 o 115.417 2.5785  1785.68   79.701    1804.49   112.209   1766.54   113.225   116.031 3.6105  114.802 3.6822  1.228615       5.156929 
1 1 1 7   -8  17 o 371.754 6.9650  18652.51  693.472   18919.40  980.368   18385.25  981.069   374.437 9.7751  369.071 9.9243  5.366455       13.92998 
1 1 1 7   -8  18 f 146.680 3.0719  2887.35   120.674   2927.43   170.196   2846.83   171.126   147.706 4.3019  145.653 4.3864  2.053146       6.143845 
1 1 1 7   -8  19 o 28.534  1.9135  111.537   14.209    129.985   19.798    91.944    20.403    31.050  2.3992  26.017  2.9817  5.032833       3.827079 
1 1 1 7   -8  20 o 41.914  1.7522  235.872   19.554    244.334   28.608    228.452   26.789    42.618  2.5174  41.210  2.4378  1.407276       3.504314 
1 1 1 7   -8  21 o 109.568 2.4728  1614.49   71.919    1902.22   103.371   1344.56   100.125   119.065 3.2413  100.071 3.7355  18.99405       4.945693 
1 1 1 7   -8  22 o 143.666 4.3041  2774.58   165.624   2774.58   165.624   0.0000    0.0000    143.666 4.3041  ?       ?       ?              ?        
1 1 1 7   -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -8  24 o 78.637  4.3899  834.511   92.095    834.511   92.095    0.0000    0.0000    78.637  4.3899  ?       ?       ?              ?        
1 1 1 7   -8  25 o 159.018 4.6206  3404.55   196.805   0.0000    0.0000    3404.55   196.805   ?       ?       159.018 4.6206  ?              ?        
1 1 1 7   -8  26 o 71.655  2.8489  689.103   54.679    0.0000    0.0000    689.103   54.679    ?       ?       71.655  2.8489  ?              ?        
1 1 1 7   -8  27 o 182.054 4.3769  4400.25   201.267   4756.97   354.455   4230.51   244.507   187.076 7.0738  177.032 5.1564  10.04436       8.753729 
1 1 1 7   -8  28 o 184.836 3.7328  4621.38   184.745   4577.24   263.899   4663.81   258.716   183.944 5.3563  185.729 5.2006  -1.784576      7.465668 
1 1 1 7   -8  29 o 62.363  2.0355  520.693   33.874    545.690   50.549    500.318   45.637    63.709  2.9622  61.016  2.7925  2.692848       4.070957 
1 1 1 7   -8  30 o 104.106 2.4895  1456.99   69.305    1570.54   101.174   1356.62   95.129    107.920 3.5001  100.293 3.5412  7.626701       4.979055 
1 1 1 7   -8  31 o 18.610  2.8080  48.852    13.349    47.247    21.114    49.920    17.229    18.297  4.3687  18.924  3.5289  -0.6273193     5.615980 
1 1 1 7   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -8  33 o 86.909  2.3235  1023.69   53.911    1038.34   79.776    1011.38   73.138    87.439  3.4063  86.379  3.1611  1.059692       4.647098 
1 1 1 7   -8  34 o 61.133  2.0683  501.254   33.653    560.888   51.213    455.931   44.646    64.283  2.9744  57.982  2.8747  6.300255       4.136552 
1 1 1 7   -8  35 o 25.876  2.3343  90.726    15.511    103.691   25.021    82.634    19.768    27.310  3.5011  24.442  3.0884  2.868214       4.668635 
1 1 1 7   -8  36 o 34.467  2.1487  159.010   19.266    186.498   31.119    141.927   24.532    36.788  3.1897  32.147  2.8797  4.641064       4.297304 
1 1 1 7   -8  37 o 29.212  2.5806  126.983   18.171    95.072    29.338    146.844   23.145    25.706  4.4204  32.719  2.6641  -7.012985      5.161103 
1 1 1 7   -8  38 o 30.292  2.6721  139.574   19.244    96.552    30.729    167.333   24.683    25.704  4.6339  34.880  2.6621  -9.176590      5.344129 
1 1 1 7   -8  39 f 32.260  2.5116  149.432   20.466    138.710   33.061    156.094   26.059    31.026  4.0771  33.493  2.9343  -2.467699      5.023193 
1 1 1 7   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -8  41 o 17.445  3.2040  51.730    15.720    26.129    27.856    63.692    19.041    14.029  5.3452  20.860  3.5341  -6.831149      6.407902 
1 1 1 7   -8  42 o 11.677  3.1242  17.806    13.139    8.3155    24.651    21.572    15.528    11.216  4.7485  12.138  4.0612  -0.9219217     6.248319 
1 1 1 7   -8  43 o 17.622  3.2574  40.977    15.457    84.778    28.429    22.594    18.417    22.859  4.7961  12.384  4.4091  10.47476       6.514844 
1 1 1 7   -8  44 o 10.396  3.1073  4.5392    13.284    21.608    26.092    -1.4333   15.434    12.680  5.0721  8.1111  3.5910  4.568869       6.214633 
1 1 1 7   -8  45 o 7.0052  2.3584  -15.9973  11.908    -48.9444  24.354    -5.6450   13.651    6.9009  3.4266  7.1094  3.2414  -0.2084432     4.716774 
1 1 1 7   -8  46 o 15.757  3.5623  47.642    18.027    27.760    33.083    56.039    21.499    13.332  5.5634  18.182  4.4506  -4.850278      7.124544 
1 1 1 7   -8  47 o 23.954  3.7147  100.743   21.397    131.365   40.335    88.751    25.242    25.133  6.0619  22.776  4.2952  2.356735       7.429363 
1 1 1 7   -7  0  o 316.401 5.8971  13439.64  499.621   13832.90  707.295   13047.99  705.848   321.031 8.2255  311.771 8.4525  9.260254       11.79427 
1 1 1 7   -7  1  o 245.457 4.6793  8080.68   307.636   8032.58   435.530   8128.59   434.597   244.726 6.6443  246.188 6.5907  -1.461136      9.358635 
1 1 1 7   -7  2  o 131.692 2.7264  2323.78   96.169    2327.83   136.042   2319.73   135.965   131.807 3.8534  131.577 3.8580  0.2295990      5.452771 
1 1 1 7   -7  3  o 350.830 6.4958  16533.93  610.201   17024.91  862.976   16043.00  862.932   356.055 9.0488  345.606 9.3219  10.44922       12.99154 
1 1 1 7   -7  4  o 88.671  2.0341  1053.35   48.307    1059.53   68.049    1047.06   68.587    88.934  2.8567  88.409  2.8964  0.5251846      4.068141 
1 1 1 7   -7  5  o 121.356 2.5387  1973.24   82.516    1947.81   116.585   1998.78   116.804   120.572 3.6100  122.140 3.5704  -1.567986      5.077343 
1 1 1 7   -7  6  o 300.517 5.6567  12123.34  455.189   11793.69  644.123   12452.20  643.345   296.426 8.1127  304.608 7.8852  -8.181702      11.31336 
1 1 1 7   -7  7  o 168.034 3.3179  3785.32   149.283   3706.16   212.139   3862.98   210.113   166.291 4.7628  169.776 4.6205  -3.485443      6.635741 
1 1 1 7   -7  8  f 402.875 7.4232  21817.20  800.985   21582.01  1133.74   22051.57  1131.79   400.698 10.564  405.052 10.432  -4.353973      14.84633 
1 1 1 7   -7  9  o 442.805 8.1621  26379.37  967.773   25630.28  1368.57   27128.63  1368.71   436.489 11.706  449.122 11.378  -12.63297      16.32426 
1 1 1 7   -7  10 o 102.791 2.3328  1415.59   64.223    1439.66   90.921    1391.62   90.729    103.663 3.2745  101.918 3.3236  1.744896       4.665688 
1 1 1 7   -7  11 o 325.473 8.5912  14256.97  748.784   13881.96  1057.32   14634.29  1060.56   321.160 12.291  329.785 12.007  -8.625061      17.18233 
1 1 1 7   -7  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -7  13 o 357.433 6.6725  17169.83  638.489   16517.39  901.952   17825.19  903.970   350.605 9.6045  364.262 9.2651  -13.65753      13.34503 
1 1 1 7   -7  14 o 192.981 3.8022  4994.75   196.462   5144.78   277.563   4844.12   278.115   195.889 5.2901  190.072 5.4628  5.817184       7.604428 
1 1 1 7   -7  15 o 96.397  2.3113  1245.15   59.674    1250.75   84.034    1239.44   84.754    96.616  3.2473  96.178  3.2900  0.4384460      4.622653 
1 1 1 7   -7  16 o 404.668 7.5274  22073.98  815.897   22035.68  1153.32   22112.34  1154.38   404.316 10.650  405.021 10.641  -0.7048950     15.05488 
1 1 1 7   -7  17 o 314.066 7.2497  13305.80  574.841   13288.59  703.946   13340.23  995.901   314.173 8.3653  313.958 11.843  0.2149658      14.49933 
1 1 1 7   -7  18 o 64.322  1.9021  554.828   32.730    546.721   47.270    562.296   45.365    63.869  2.7631  64.775  2.6147  -0.9059181     3.804156 
1 1 1 7   -7  19 f 75.612  2.0794  772.870   41.745    671.488   60.029    867.808   58.090    70.764  3.1671  80.460  2.6954  -9.696243      4.158821 
1 1 1 7   -7  20 o 22.793  1.9987  73.289    11.435    55.014    16.964    88.507    15.480    19.991  3.2821  25.596  2.2819  -5.604822      3.997390 
1 1 1 7   -7  21 o 94.823  2.2915  1207.05   58.151    1189.19   83.612    1223.79   80.929    94.139  3.3160  95.507  3.1636  -1.368088      4.583028 
1 1 1 7   -7  22 o 160.002 4.6786  3443.55   200.506   3443.55   200.506   0.0000    0.0000    160.002 4.6786  ?       ?       ?              ?        
1 1 1 7   -7  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -7  24 o 142.128 4.3276  2717.21   164.748   2717.21   164.748   0.0000    0.0000    142.128 4.3276  ?       ?       ?              ?        
1 1 1 7   -7  25 o 122.841 3.7885  2028.07   124.654   0.0000    0.0000    2028.07   124.654   ?       ?       122.841 3.7885  ?              ?        
1 1 1 7   -7  26 o 208.922 5.7716  5896.94   322.975   0.0000    0.0000    5896.94   322.975   ?       ?       208.922 5.7716  ?              ?        
1 1 1 7   -7  27 o 52.368  2.6148  374.196   32.048    361.463   61.820    378.875   37.478    51.602  4.5183  53.134  2.6334  -1.532284      5.229691 
1 1 1 7   -7  28 o 66.608  2.0746  595.580   36.860    600.373   54.766    591.612   49.836    66.844  3.0589  66.372  2.8033  0.4719009      4.149158 
1 1 1 7   -7  29 o 48.445  2.1772  328.188   27.044    249.382   40.484    391.690   36.341    42.885  3.5565  54.004  2.5124  -11.11863      4.354401 
1 1 1 7   -7  30 o 125.269 2.7945  2117.84   93.693    2184.07   135.796   2057.68   129.437   127.125 3.9881  123.412 3.9157  3.713005       5.589077 
1 1 1 7   -7  31 f 46.281  2.0216  284.148   24.691    341.125   37.977    242.426   32.498    50.242  2.8336  42.320  2.8842  7.922062       4.043217 
1 1 1 7   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -7  33 o 16.441  2.8586  40.346    12.473    28.039    20.630    47.437    15.659    14.453  4.6735  18.429  3.2931  -3.975982      5.717168 
1 1 1 7   -7  34 o 47.928  2.0798  311.445   26.273    322.473   40.569    303.478   34.481    48.604  3.1330  47.252  2.7361  1.351753       4.159560 
1 1 1 7   -7  35 o 52.544  2.0673  370.500   28.704    423.868   44.494    332.454   37.568    55.717  2.9924  49.371  2.8531  6.346626       4.134516 
1 1 1 7   -7  36 o 16.035  2.8937  38.605    12.453    27.999    20.656    44.661    15.609    14.310  4.6796  17.761  3.4050  -3.450446      5.787300 
1 1 1 7   -7  37 o 37.317  2.2921  195.463   21.904    181.412   35.011    204.500   28.079    36.017  3.6809  38.618  2.7322  -2.600922      4.584102 
1 1 1 7   -7  38 f 27.965  2.4548  107.052   17.468    122.730   29.062    98.184    21.856    29.423  3.7747  26.508  3.1393  2.915478       4.909529 
1 1 1 7   -7  39 f 13.593  3.1111  26.896    12.837    18.159    22.989    30.854    15.474    12.676  4.8496  14.510  3.8982  -1.834115      6.222109 
1 1 1 7   -7  40 o 22.776  4.4833  77.986    26.376    0.0000    0.0000    77.986    26.376    ?       ?       22.776  4.4833  ?              ?        
1 1 1 7   -7  41 o 22.992  2.9783  72.250    16.999    113.359   29.560    51.938    20.779    27.559  4.1320  18.425  4.2905  9.133785       5.956603 
1 1 1 7   -7  42 o 12.957  3.1694  25.300    14.592    1.7508    26.824    35.199    17.391    10.861  4.7743  15.054  4.1698  -4.193523      6.338847 
1 1 1 7   -7  43 o 14.373  2.7207  33.843    14.948    -23.7362  26.770    59.927    18.018    8.7695  4.1710  19.977  3.4946  -11.20742      5.441482 
1 1 1 7   -7  44 o 13.835  3.2314  32.243    14.774    12.795    27.396    40.217    17.543    11.785  4.9985  15.884  4.0966  -4.099499      6.462809 
1 1 1 7   -7  45 o 9.5370  3.0298  -2.8951   13.953    11.338    27.831    -7.6733   16.125    11.530  4.9675  7.5438  3.4705  3.986327       6.059694 
1 1 1 7   -7  46 o 9.5680  4.4922  -12.3144  29.242    -12.3144  29.242    0.0000    0.0000    9.5680  4.4922  ?       ?       ?              ?        
1 1 1 7   -7  47 o 12.518  3.0248  27.485    15.894    -21.8311  30.718    45.515    18.573    8.9404  4.3085  16.095  4.2467  -7.154525      6.049594 
1 1 1 7   -6  0  o 534.839 9.8608  38562.70  1412.37   39408.11  1998.39   37718.97  1996.39   540.733 13.798  528.946 14.091  11.78748       19.72152 
1 1 1 7   -6  1  o 100.817 2.2810  1361.92   61.585    1341.28   87.418    1382.26   86.776    100.058 3.2618  101.576 3.1895  -1.517708      4.562029 
1 1 1 7   -6  2  o 460.244 8.5426  28510.55  1053.03   28165.89  1488.85   28855.54  1489.57   457.447 12.151  463.040 12.010  -5.593262      17.08512 
1 1 1 7   -6  3  o 251.234 4.7141  8465.91   317.226   8444.33   448.157   8487.58   449.096   250.913 6.6683  251.555 6.6653  -0.6419830     9.428284 
1 1 1 7   -6  4  o 395.410 7.3263  21016.04  775.910   20824.40  1096.97   21207.92  1097.63   393.600 10.405  397.220 10.317  -3.620270      14.65268 
1 1 1 7   -6  5  o 388.418 7.2313  20282.63  752.014   19621.55  1063.76   20943.08  1063.26   382.067 10.395  394.770 10.056  -12.70316      14.46254 
1 1 1 7   -6  6  o 267.885 5.0190  9628.14   360.089   9502.03   510.412   9753.11   508.082   266.134 7.1603  269.636 7.0350  -3.501404      10.03801 
1 1 1 7   -6  7  o 326.914 6.0580  14348.28  530.458   14344.07  751.034   14352.48  749.329   326.865 8.5783  326.963 8.5563  -0.9790039E-01 12.11599 
1 1 1 7   -6  8  o 304.559 5.7102  12450.06  465.772   12254.20  658.792   12645.81  658.609   302.159 8.1400  306.959 8.0105  -4.800873      11.42047 
1 1 1 7   -6  9  o 370.599 6.8670  18451.58  681.596   18710.72  963.940   18192.46  963.904   373.209 9.6429  367.988 9.7794  5.221008       13.73397 
1 1 1 7   -6  10 f 550.505 10.168  40860.91  1499.22   41345.05  2120.17   40376.73  2120.27   553.789 14.293  547.222 14.466  6.567139       20.33616 
1 1 1 7   -6  11 o 95.174  2.2563  1213.47   57.517    1209.16   81.030    1217.85   81.656    95.004  3.1843  95.344  3.1975  -0.3405075     4.512612 
1 1 1 7   -6  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -6  13 o 390.766 7.2655  20528.38  760.324   20959.56  1075.15   20097.03  1075.37   394.887 10.165  386.646 10.384  8.241058       14.53102 
1 1 1 7   -6  14 o 246.964 4.7227  8182.81   312.350   8001.83   441.077   8364.86   442.385   244.221 6.7428  249.707 6.6142  -5.486755      9.445327 
1 1 1 7   -6  15 o 196.884 3.8866  5205.33   204.608   4871.46   290.084   5535.88   288.640   190.583 5.6826  203.184 5.3037  -12.60051      7.773124 
1 1 1 7   -6  16 o 195.749 3.8369  5140.33   201.158   5108.77   285.572   5171.42   283.401   195.150 5.4633  196.347 5.3887  -1.197327      7.673762 
1 1 1 7   -6  17 o 181.431 3.5773  4416.31   173.796   4560.89   247.119   4274.82   244.471   184.372 5.0040  178.489 5.1136  5.883087       7.154664 
1 1 1 7   -6  18 o 86.118  2.2052  998.883   50.617    903.635   72.592    1089.01   70.615    82.099  3.3011  90.138  2.9248  -8.038902      4.410464 
1 1 1 7   -6  19 o 233.401 4.4482  7334.41   277.770   7777.26   394.654   6899.68   391.023   240.414 6.1287  226.387 6.4485  14.02702       8.896321 
1 1 1 7   -6  20 o 211.256 4.1404  6008.43   234.270   5999.61   332.834   6017.08   329.803   211.096 5.8865  211.415 5.8241  -0.3190308     8.280787 
1 1 1 7   -6  21 o 63.899  1.9150  545.613   32.632    622.067   47.587    477.755   44.833    68.112  2.6084  59.685  2.8044  8.426846       3.829932 
1 1 1 7   -6  22 o 27.038  2.8237  99.123    20.147    99.123    20.147    0.0000    0.0000    27.038  2.8237  ?       ?       ?              ?        
1 1 1 7   -6  23 o 123.374 5.5191  2051.97   182.382   2051.97   182.382   0.0000    0.0000    123.374 5.5191  ?       ?       ?              ?        
1 1 1 7   -6  24 o 161.636 4.7603  3517.39   206.091   3517.39   206.091   0.0000    0.0000    161.636 4.7603  ?       ?       ?              ?        
1 1 1 7   -6  25 o 91.152  3.2081  1115.53   78.325    0.0000    0.0000    1115.53   78.325    ?       ?       91.152  3.2081  ?              ?        
1 1 1 7   -6  26 o 45.995  2.6525  284.792   32.540    0.0000    0.0000    284.792   32.540    ?       ?       45.995  2.6525  ?              ?        
1 1 1 7   -6  27 o 118.093 3.6637  1875.25   115.888   0.0000    0.0000    1875.25   115.888   ?       ?       118.093 3.6637  ?              ?        
1 1 1 7   -6  28 o 48.836  2.1217  329.557   26.876    271.951   40.557    374.663   35.888    44.841  3.4021  52.830  2.5361  -7.989418      4.243402 
1 1 1 7   -6  29 o 89.341  2.3381  1073.93   55.823    1080.92   81.871    1067.85   76.313    89.598  3.4115  89.083  3.1982  0.5147171      4.676213 
1 1 1 7   -6  30 o 93.865  2.3943  1184.99   60.077    1233.40   88.374    1143.41   81.917    95.630  3.4502  92.099  3.3207  3.530952       4.788596 
1 1 1 7   -6  31 o 62.666  2.1083  528.322   35.173    539.955   52.985    519.158   47.029    63.260  3.1271  62.071  2.8287  1.188248       4.216646 
1 1 1 7   -6  32 o 119.595 3.5806  2005.78   104.894   1864.15   186.870   2070.93   126.744   115.741 6.0488  123.449 3.8331  -7.707268      7.161104 
1 1 1 7   -6  33 o 21.134  2.5632  58.628    13.612    85.836    22.396    42.688    17.142    24.901  3.4507  17.368  3.7912  7.532898       5.126441 
1 1 1 7   -6  34 o 26.601  2.5224  102.259   16.428    84.535    26.754    112.986   20.814    24.453  4.2383  28.749  2.7360  -4.295506      5.044736 
1 1 1 7   -6  35 f 31.906  2.1806  135.001   18.016    165.809   29.376    116.425   22.810    34.713  3.1953  29.099  2.9682  5.614370       4.361218 
1 1 1 7   -6  36 o 29.810  2.3308  119.762   17.857    138.980   29.350    108.466   22.501    31.603  3.5275  28.018  3.0475  3.585052       4.661600 
1 1 1 7   -6  37 o 47.773  2.1760  310.489   27.250    336.173   43.186    293.496   35.126    49.305  3.2889  46.240  2.8500  3.064926       4.351953 
1 1 1 7   -6  38 o 16.464  2.8523  44.813    13.839    10.465    23.549    62.932    17.104    11.779  4.7807  21.149  3.1125  -9.369944      5.704641 
1 1 1 7   -6  39 o 9.4173  3.0573  -13.0985  16.577    -14.9587  20.424    -9.5069   28.380    8.3045  3.8505  10.530  4.7499  -2.225472      6.114626 
1 1 1 7   -6  40 o 14.850  3.3289  33.485    14.662    26.510    25.775    36.821    17.828    14.048  5.1857  15.652  4.1754  -1.604015      6.657801 
1 1 1 7   -6  41 o 16.681  3.4126  41.884    15.193    49.265    27.580    38.669    18.204    17.477  5.3715  15.884  4.2107  1.592925       6.825196 
1 1 1 7   -6  42 o 18.857  3.4497  55.197    16.582    65.166    29.884    50.762    19.932    19.655  5.4738  18.060  4.1999  1.595789       6.899444 
1 1 1 7   -6  43 o 13.976  3.2819  32.337    15.321    11.135    28.371    41.066    18.203    11.850  5.0582  16.101  4.1830  -4.251287      6.563740 
1 1 1 7   -6  44 o 16.263  3.5299  36.714    16.228    71.854    30.176    22.416    19.248    20.229  5.4477  12.298  4.4904  7.930762       7.059812 
1 1 1 7   -6  45 o 11.232  3.3891  10.600    16.243    18.803    31.277    7.5702    19.007    12.580  5.3387  9.8840  4.1763  2.696391       6.778147 
1 1 1 7   -6  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -5  0  o 216.838 4.1990  6304.57   243.863   6389.35   345.281   6220.19   344.468   218.294 5.9053  215.382 5.9710  2.911987       8.397966 
1 1 1 7   -5  1  o 292.742 5.4401  11500.51  426.540   11651.14  603.722   11350.38  602.717   294.660 7.6494  290.825 7.7374  3.834656       10.88025 
1 1 1 7   -5  2  o 356.281 6.6176  17051.22  631.504   17169.21  892.753   16933.05  893.410   357.519 9.3227  355.043 9.3947  2.475464       13.23529 
1 1 1 7   -5  3  o 183.097 3.5450  4493.60   173.856   4483.35   245.602   4503.90   246.137   182.887 5.0137  183.306 5.0132  -0.4187927     7.090069 
1 1 1 7   -5  4  f 135.398 2.7931  2457.99   101.232   2380.78   143.998   2533.43   142.343   133.293 4.0333  137.503 3.8649  -4.210083      5.586105 
1 1 1 7   -5  5  o 331.243 6.1013  14732.69  541.303   14619.14  766.736   14845.52  764.306   329.966 8.6754  332.520 8.5815  -2.554260      12.20260 
1 1 1 7   -5  6  o 426.849 7.8404  24503.29  896.402   24565.43  1268.19   24441.24  1267.22   427.391 11.078  426.306 11.098  1.084808       15.68088 
1 1 1 7   -5  7  o 447.851 8.2520  26990.31  989.562   27792.88  1399.93   26188.83  1398.98   454.536 11.499  441.165 11.839  13.37057       16.50408 
1 1 1 7   -5  8  o 335.249 6.2526  15091.55  561.439   14927.95  793.501   15255.57  794.489   333.425 8.8851  337.073 8.7998  -3.647400      12.50526 
1 1 1 7   -5  9  o 177.415 3.5285  4219.05   167.649   4126.87   236.715   4311.82   237.470   175.469 5.0366  179.361 4.9430  -3.891724      7.056962 
1 1 1 7   -5  10 o 206.476 4.0089  5715.42   221.710   5696.82   313.194   5734.10   313.897   206.139 5.6724  206.813 5.6666  -0.6736145     8.017850 
1 1 1 7   -5  11 o 268.005 6.3067  9724.81   424.805   9883.42   520.140   9407.09   736.172   271.436 7.1542  264.574 10.388  6.862213       12.61346 
1 1 1 7   -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -5  13 o 344.508 6.3426  15966.93  583.419   17489.70  827.305   14460.45  822.871   360.920 8.5579  328.097 9.3636  32.82309       12.68517 
1 1 1 7   -5  14 o 257.125 4.8326  8883.91   331.779   9741.60   470.983   8039.04   467.450   269.483 6.5251  244.766 7.1301  24.71791       9.665133 
1 1 1 7   -5  15 o 326.816 6.0730  14359.52  530.990   15207.57  752.772   13519.71  749.107   336.455 8.3531  317.178 8.8176  19.27640       12.14598 
1 1 1 7   -5  16 o 270.414 5.1427  9823.44   372.421   9644.18   527.729   10001.29  525.642   267.948 7.3531  272.881 7.1916  -4.933533      10.28534 
1 1 1 7   -5  17 o 255.887 4.9005  8803.23   335.747   8552.38   475.876   9051.87   473.767   252.241 7.0435  259.533 6.8153  -7.291809      9.800978 
1 1 1 7   -5  18 o 177.156 3.5341  4213.06   167.688   4259.64   238.569   4167.58   235.749   178.123 5.0004  176.188 4.9956  1.934952       7.068209 
1 1 1 7   -5  19 o 105.398 2.4167  1488.62   68.183    1563.45   97.928    1418.22   94.991    107.968 3.3863  102.828 3.4489  5.139633       4.833407 
1 1 1 7   -5  20 o 307.676 5.8221  12811.87  479.778   12716.30  680.103   12906.54  676.926   306.514 8.2839  308.838 8.1832  -2.323578      11.64419 
1 1 1 7   -5  21 o 104.222 2.4467  1457.93   68.263    1454.86   98.129    1460.81   95.022    104.112 3.5189  104.332 3.4003  -0.2205658     4.893345 
1 1 1 7   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -5  23 o 44.018  2.7772  260.956   32.576    260.956   32.576    0.0000    0.0000    44.018  2.7772  ?       ?       ?              ?        
1 1 1 7   -5  24 o 298.957 8.1006  12151.35  648.659   12151.35  648.659   0.0000    0.0000    298.957 8.1006  ?       ?       ?              ?        
1 1 1 7   -5  25 o 26.811  3.4872  107.226   23.151    69.162    35.999    134.072   30.233    22.245  5.9329  31.378  3.6663  -9.133009      6.974309 
1 1 1 7   -5  26 o 269.694 7.3630  9881.20   531.883   0.0000    0.0000    9881.20   531.883   ?       ?       269.694 7.3630  ?              ?        
1 1 1 7   -5  27 o 90.148  3.2011  1091.77   77.292    0.0000    0.0000    1091.77   77.292    ?       ?       90.148  3.2011  ?              ?        
1 1 1 7   -5  28 o 102.247 2.4716  1403.12   67.596    1474.30   98.777    1340.42   92.704    104.676 3.5230  99.818  3.4674  4.858658       4.943122 
1 1 1 7   -5  29 o 127.069 2.8449  2177.68   96.746    2218.82   140.209   2140.30   133.665   128.198 4.0832  125.939 3.9625  2.259201       5.689826 
1 1 1 7   -5  30 o 22.430  2.6375  68.615    14.985    75.169    24.120    64.494    19.124    23.253  4.0180  21.608  3.4179  1.644833       5.275068 
1 1 1 7   -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -5  32 o 20.922  2.5467  61.023    13.404    60.976    21.589    61.053    17.098    20.824  4.0161  21.020  3.1326  -0.1959381     5.093341 
1 1 1 7   -5  33 o 38.387  2.1175  198.720   21.339    214.493   33.320    187.754   27.783    39.632  3.1653  37.142  2.8137  2.490139       4.235055 
1 1 1 7   -5  34 o 12.646  2.8912  21.755    11.086    16.842    18.550    24.485    13.827    12.098  4.4095  13.194  3.7407  -1.096538      5.782472 
1 1 1 7   -5  35 o 40.236  2.3203  233.920   23.326    177.613   36.564    272.565   30.291    35.706  3.8859  44.765  2.5368  -9.059513      4.640632 
1 1 1 7   -5  36 f 20.798  2.8644  73.723    15.065    25.302    24.559    102.937   19.076    14.208  5.0879  27.389  2.6327  -13.18095      5.728750 
1 1 1 7   -5  37 o 42.596  2.2198  250.529   24.501    251.655   39.286    249.812   31.344    42.525  3.4795  42.667  2.7574  -0.1412010     4.439646 
1 1 1 7   -5  38 o 37.096  2.4568  200.343   22.733    165.947   36.622    221.905   28.995    34.060  4.0964  40.132  2.7134  -6.071655      4.913584 
1 1 1 7   -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -5  40 o 12.696  3.1827  15.928    13.119    38.658    24.146    6.4087    15.626    15.898  5.0473  9.4937  3.8785  6.404509       6.365404 
1 1 1 7   -5  41 o 27.879  3.0612  123.703   20.130    99.282    34.258    136.582   24.878    24.821  5.3134  30.936  3.0417  -6.115398      6.122404 
1 1 1 7   -5  42 o 12.229  3.2597  18.976    13.589    25.148    24.877    16.351    16.223    13.342  5.0590  11.115  4.1120  2.226371       6.519341 
1 1 1 7   -5  43 o 26.767  3.1225  111.110   19.924    116.890   35.922    108.541   23.945    26.456  5.2546  27.079  3.3746  -0.6232128     6.244942 
1 1 1 7   -5  44 o 12.171  3.4076  19.306    15.325    19.072    29.524    19.393    17.929    12.676  5.2698  11.667  4.3215  1.008196       6.815124 
1 1 1 7   -5  45 o 15.030  3.5671  41.575    17.912    20.211    34.185    49.660    21.030    12.878  5.5261  17.181  4.5120  -4.302454      7.134129 
1 1 1 7   -5  46 o 15.571  3.7248  33.327    17.126    84.053    34.836    17.159    19.667    20.113  6.0067  11.029  4.4064  9.084383       7.449602 
1 1 1 7   -4  0  o 434.410 8.0116  25386.78  932.154   25097.49  1318.39   25675.96  1318.14   431.924 11.396  436.896 11.264  -4.971863      16.02324 
1 1 1 7   -4  1  o 213.722 4.1062  6124.53   235.057   6107.91   332.580   6141.12   332.262   213.432 5.8177  214.012 5.7963  -0.5803680     8.212335 
1 1 1 7   -4  2  o 113.025 2.3948  1711.53   72.471    1648.52   102.017   1775.73   102.969   110.924 3.4337  115.126 3.3392  -4.201645      4.789608 
1 1 1 7   -4  3  o 306.454 5.7198  12611.09  469.251   12163.36  664.558   13056.31  662.689   301.013 8.2425  311.894 7.9326  -10.88065      11.43959 
1 1 1 7   -4  4  o 286.588 5.3182  11021.03  408.230   11017.74  578.293   11024.29  576.362   286.544 7.5347  286.632 7.5073  -0.8721924E-01 10.63631 
1 1 1 7   -4  5  o 189.802 3.7105  4829.17   188.633   4843.98   266.744   4814.35   266.790   190.093 5.2389  189.510 5.2559  0.5827179      7.420951 
1 1 1 7   -4  6  o 570.151 10.499  43864.86  1603.17   44514.74  2267.35   43215.14  2267.08   574.405 14.737  565.896 14.957  8.509521       20.99740 
1 1 1 7   -4  7  o 375.119 6.9777  18907.92  701.041   19162.58  991.318   18653.15  991.525   377.655 9.8001  372.584 9.9355  5.070435       13.95549 
1 1 1 7   -4  8  o 356.247 6.5803  17045.82  627.863   17254.30  888.726   16838.08  887.140   358.427 9.2572  354.067 9.3544  4.360199       13.16057 
1 1 1 7   -4  9  o 452.355 8.3642  27538.53  1012.91   26527.80  1432.47   28549.29  1432.48   444.013 12.045  460.697 11.609  -16.68411      16.72845 
1 1 1 7   -4  10 o 704.027 12.896  67101.88  2431.04   69103.25  3440.39   65106.01  3435.65   714.621 17.974  693.434 18.498  21.18695       25.79188 
1 1 1 7   -4  11 o 367.085 6.8422  18105.36  672.477   17520.48  951.425   18689.26  950.628   361.141 9.8358  373.029 9.5143  -11.88803      13.68449 
1 1 1 7   -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -4  13 o 715.655 13.134  69454.52  2514.70   73429.64  3560.42   65497.70  3552.22   736.335 18.052  694.975 19.083  41.35999       26.26871 
1 1 1 7   -4  14 f 444.868 8.2183  26644.17  979.097   27257.32  1386.24   26033.82  1383.07   449.999 11.501  439.737 11.743  10.26266       16.43661 
1 1 1 7   -4  15 o 173.696 3.4677  4045.04   161.322   4034.94   229.258   4054.93   227.044   173.480 4.9338  173.912 4.8741  -0.4315186     6.935378 
1 1 1 7   -4  16 o 247.266 4.6841  8212.49   309.876   8705.08   439.921   7727.40   436.560   254.645 6.4499  239.888 6.7943  14.75717       9.368235 
1 1 1 7   -4  17 f 169.479 3.4444  3856.72   156.232   3710.07   222.158   4000.21   219.753   166.282 4.9880  172.677 4.7513  -6.394989      6.888763 
1 1 1 7   -4  18 o 123.954 2.7091  2061.57   89.901    2030.37   128.533   2091.46   125.790   123.032 3.9004  124.876 3.7608  -1.844017      5.418180 
1 1 1 7   -4  19 o 125.511 2.7041  2113.59   90.592    2355.26   129.980   1885.30   126.331   132.497 3.6625  118.524 3.9794  13.97284       5.408292 
1 1 1 7   -4  20 o 172.656 3.5068  4009.43   162.111   3930.29   230.940   4086.31   227.615   170.964 5.0432  174.348 4.8741  -3.383453      7.013604 
1 1 1 7   -4  21 o 214.715 4.2139  6213.84   242.335   6230.50   344.646   6197.55   340.812   214.993 5.9849  214.436 5.9337  0.5574493      8.427853 
1 1 1 7   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -4  23 o 74.898  3.0612  752.815   61.411    752.815   61.411    0.0000    0.0000    74.898  3.0612  ?       ?       ?              ?        
1 1 1 7   -4  24 o 102.186 3.5495  1402.50   97.150    1402.50   97.150    0.0000    0.0000    102.186 3.5495  ?       ?       ?              ?        
1 1 1 7   -4  25 o 12.971  5.0138  14.507    24.749    14.507    24.749    0.0000    0.0000    12.971  5.0138  ?       ?       ?              ?        
1 1 1 7   -4  26 o 100.879 3.3743  1367.08   91.174    0.0000    0.0000    1367.08   91.174    ?       ?       100.879 3.3743  ?              ?        
1 1 1 7   -4  27 o 120.390 3.7678  1949.86   121.496   0.0000    0.0000    1949.86   121.496   ?       ?       120.390 3.7678  ?              ?        
1 1 1 7   -4  28 o 181.398 3.7467  4466.33   181.615   4196.16   259.945   4723.98   253.847   175.942 5.5160  186.854 5.0720  -10.91144      7.493431 
1 1 1 7   -4  29 o 122.159 2.7776  2012.67   90.785    2049.14   131.955   1979.89   125.097   123.191 3.9991  121.126 3.8558  2.064705       5.555192 
1 1 1 7   -4  30 o 6.3109  2.1091  -15.0168  9.3013    -25.0912  15.585    -9.4433   11.592    6.2951  3.0423  6.3266  2.9219  -0.3142548E-01 4.218243 
1 1 1 7   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -4  32 o 22.186  2.5769  68.403    14.379    69.202    23.274    67.910    18.286    22.195  4.0647  22.177  3.1684  0.1806450E-01  5.153717 
1 1 1 7   -4  33 o 64.367  2.1886  563.345   37.285    561.585   56.779    564.679   49.437    64.175  3.3145  64.560  2.8589  -0.3850403     4.377165 
1 1 1 7   -4  34 o 41.586  2.2940  246.663   24.130    196.255   37.688    281.681   31.412    37.643  3.7894  45.530  2.5865  -7.886208      4.587972 
1 1 1 7   -4  35 o 21.623  2.9036  76.129    15.183    39.282    25.196    97.138    19.025    16.640  5.1374  26.606  2.7074  -9.966377      5.807136 
1 1 1 7   -4  36 o 22.794  2.7459  75.403    15.475    67.747    25.332    79.961    19.546    21.613  4.5211  23.975  3.1176  -2.361469      5.491834 
1 1 1 7   -4  37 o 18.450  2.9982  51.279    14.086    42.745    23.814    55.871    17.470    17.054  4.9329  19.846  3.4093  -2.791748      5.996351 
1 1 1 7   -4  38 o 40.179  2.2709  216.979   23.717    267.886   38.734    186.447   29.998    43.771  3.3288  36.588  3.0899  7.183140       4.541845 
1 1 1 7   -4  39 o 39.483  2.9625  217.754   31.102    0.0000    0.0000    217.754   31.102    ?       ?       39.483  2.9625  ?              ?        
1 1 1 7   -4  40 o 14.094  3.2022  30.785    14.345    13.049    25.868    38.662    17.239    12.168  4.9829  16.019  4.0232  -3.850623      6.404344 
1 1 1 7   -4  41 o 42.498  2.5787  266.978   27.672    252.041   45.592    275.690   34.818    40.946  4.2174  44.049  2.9683  -3.103283      5.157310 
1 1 1 7   -4  42 o 26.776  3.2609  117.744   20.704    97.362    35.600    128.162   25.452    23.908  5.6489  29.643  3.2593  -5.735352      6.521756 
1 1 1 7   -4  43 o 15.407  3.4721  40.132    16.193    30.310    28.824    44.661    19.574    14.115  5.4231  16.700  4.3373  -2.584612      6.944230 
1 1 1 7   -4  44 o 14.613  3.3955  37.638    17.103    7.3188    32.709    49.046    20.064    11.838  5.2350  17.388  4.3257  -5.549753      6.790934 
1 1 1 7   -4  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -4  46 o 10.935  3.3842  8.7297    16.128    28.666    33.342    2.6406    18.427    12.968  5.5081  8.9026  3.9334  4.065194       6.768345 
1 1 1 7   -3  0  o 77.710  2.3782  804.575   46.909    795.176   57.591    823.101   80.858    77.045  2.7908  78.376  3.8517  -1.331436      4.756444 
1 1 1 7   -3  1  o 301.686 7.8342  12215.52  633.050   12215.52  633.050   0.0000    0.0000    301.686 7.8342  ?       ?       ?              ?        
1 1 1 7   -3  2  o 306.648 6.9841  12598.73  542.872   12519.83  666.535   12754.22  935.652   305.394 8.1484  307.902 11.345  -2.507446      13.96821 
1 1 1 7   -3  3  o 308.191 5.7462  12750.05  474.328   12652.21  670.951   12847.79  670.651   307.006 8.1593  309.376 8.0932  -2.369629      11.49238 
1 1 1 7   -3  4  o 409.101 7.5354  22512.02  825.046   23585.56  1168.08   21443.21  1165.51   418.875 10.411  399.328 10.897  19.54761       15.07087 
1 1 1 7   -3  5  o 341.285 6.3252  15652.46  577.492   16581.77  817.947   14728.80  815.452   351.419 8.6898  331.151 9.1935  20.26755       12.65047 
1 1 1 7   -3  6  o 140.901 2.9149  2660.28   109.991   2727.09   156.133   2594.45   154.974   142.658 4.0861  139.144 4.1582  3.514023       5.829805 
1 1 1 7   -3  7  o 455.122 8.3951  27871.47  1023.39   28001.98  1448.01   27741.22  1446.57   456.190 11.850  454.053 11.894  2.136902       16.79026 
1 1 1 7   -3  8  o 114.340 2.5796  1763.01   78.310    1501.11   111.112   2021.51   110.387   105.844 3.9193  122.837 3.3551  -16.99262      5.159175 
1 1 1 7   -3  9  o 501.565 9.2505  33877.23  1242.71   34174.11  1758.46   33581.02  1756.45   503.771 13.032  499.359 13.132  4.411560       18.50090 
1 1 1 7   -3  10 o 619.765 11.374  51863.99  1888.12   51796.09  2671.01   51931.81  2669.42   619.354 16.101  620.175 16.070  -0.8206177     22.74812 
1 1 1 7   -3  11 o 123.005 2.6638  2028.05   87.727    1981.49   124.873   2073.43   123.272   121.609 3.8337  124.400 3.6996  -2.791496      5.327659 
1 1 1 7   -3  12 o 234.075 6.3935  7364.36   400.418   7013.63   568.704   7709.16   563.879   228.526 9.2910  239.624 8.7855  -11.09885      12.78700 
1 1 1 7   -3  13 f 366.556 6.7661  18054.80  664.056   18667.17  940.772   17446.73  937.470   372.769 9.4223  360.343 9.7130  12.42633       13.53223 
1 1 1 7   -3  14 o 215.070 4.1348  6212.26   237.387   6847.16   337.499   5590.61   333.961   225.975 5.5760  204.165 6.1070  21.80968       8.269626 
1 1 1 7   -3  15 o 245.489 4.6919  8087.71   308.508   8085.35   437.588   8090.04   435.014   245.452 6.6560  245.526 6.6148  -0.7432556E-01 9.383890 
1 1 1 7   -3  16 o 295.028 5.5774  11702.74  440.706   11565.95  624.538   11838.40  621.974   293.302 7.9498  296.754 7.8250  -3.452454      11.15482 
1 1 1 7   -3  17 o 72.067  2.0026  695.727   38.257    836.556   55.520    568.400   52.791    79.012  2.6234  65.123  3.0265  13.88946       4.005231 
1 1 1 7   -3  18 f 213.165 4.1402  6107.90   236.376   6190.64   336.004   6026.82   332.593   214.596 5.8457  211.734 5.8645  2.860992       8.280377 
1 1 1 7   -3  19 o 131.471 2.8613  2322.14   100.667   2250.49   143.958   2390.70   140.823   129.477 4.1510  133.465 3.9393  -3.988190      5.722656 
1 1 1 7   -3  20 o 255.941 4.9975  8856.89   342.002   8293.65   485.110   9413.45   482.230   247.767 7.3098  264.115 6.8167  -16.34714      9.995034 
1 1 1 7   -3  21 o 221.965 4.3060  6642.55   255.974   6791.92   364.219   6496.76   359.824   224.438 6.0587  219.492 6.1204  4.945969       8.612038 
1 1 1 7   -3  22 o ?       ?       698.589   75891.99  698.589   75891.99  0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 7   -3  23 o 22.698  3.4043  70.701    20.059    70.701    20.059    0.0000    0.0000    22.698  3.4043  ?       ?       ?              ?        
1 1 1 7   -3  24 o 88.277  3.3744  1046.38   79.787    1046.38   79.787    0.0000    0.0000    88.277  3.3744  ?       ?       ?              ?        
1 1 1 7   -3  25 o 60.835  3.1043  498.105   50.415    498.105   50.415    0.0000    0.0000    60.835  3.1043  ?       ?       ?              ?        
1 1 1 7   -3  26 o 129.991 4.0182  2273.22   139.906   0.0000    0.0000    2273.22   139.906   ?       ?       129.991 4.0182  ?              ?        
1 1 1 7   -3  27 o 74.328  2.9276  742.029   58.285    0.0000    0.0000    742.029   58.285    ?       ?       74.328  2.9276  ?              ?        
1 1 1 7   -3  28 o 32.056  2.1933  140.745   18.157    133.022   28.417    146.073   23.605    31.248  3.4529  32.864  2.7056  -1.615509      4.386656 
1 1 1 7   -3  29 o 113.143 2.6576  1725.21   80.419    1773.31   117.570   1682.92   110.242   114.606 3.8300  111.680 3.6854  2.925835       5.315145 
1 1 1 7   -3  30 f 69.658  2.1597  652.367   40.106    672.201   60.063    636.409   53.877    70.591  3.1767  68.724  2.9269  1.867668       4.319455 
1 1 1 7   -3  31 o 105.297 2.5699  1499.18   72.325    1563.70   106.557   1444.07   98.484    107.366 3.7053  103.227 3.5619  4.138962       5.139729 
1 1 1 7   -3  32 o 108.613 2.6928  1612.01   77.990    1553.58   114.564   1662.48   106.470   106.672 4.0097  110.554 3.5955  -3.882362      5.385673 
1 1 1 7   -3  33 o 25.305  2.7203  98.720    16.200    58.418    25.395    126.377   21.037    20.155  4.7771  30.456  2.6039  -10.30080      5.440634 
1 1 1 7   -3  34 o 33.404  2.2594  156.074   19.347    141.120   30.382    166.275   25.092    31.900  3.6198  34.908  2.7048  -3.007586      4.518754 
1 1 1 7   -3  35 o 39.843  2.2589  222.323   23.099    200.924   36.578    236.517   29.790    38.056  3.6326  41.631  2.6859  -3.574406      4.517707 
1 1 1 7   -3  36 o 11.457  2.8683  15.994    11.609    2.6102    19.464    23.384    14.463    10.023  4.2300  12.891  3.8750  -2.868085      5.736638 
1 1 1 7   -3  37 o 24.639  2.8468  88.910    17.227    80.591    28.570    93.662    21.593    23.401  4.7210  25.877  3.1825  -2.476301      5.693526 
1 1 1 7   -3  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -3  39 o 50.655  2.3814  357.575   31.426    388.037   50.698    338.566   40.049    52.154  3.6523  49.156  3.0569  2.997814       4.762754 
1 1 1 7   -3  40 o 58.609  2.3844  481.671   36.599    538.979   58.660    445.144   46.831    61.167  3.5963  56.052  3.1318  5.114780       4.768807 
1 1 1 7   -3  41 o 15.534  3.2400  41.213    16.110    10.273    29.313    54.604    19.284    12.110  5.1546  18.958  3.9269  -6.847731      6.479975 
1 1 1 7   -3  42 o 21.607  3.4336  85.223    19.089    49.398    34.001    101.713   23.068    16.913  5.9941  26.300  3.3508  -9.386833      6.867117 
1 1 1 7   -3  43 o 15.835  2.9293  44.920    17.428    -25.7325  32.628    73.122    20.614    9.6741  4.6023  21.997  3.6251  -12.32281      5.858550 
1 1 1 7   -3  44 o 16.772  3.8152  48.976    18.431    52.085    34.813    47.765    21.726    16.668  6.0461  16.877  4.6550  -0.2092743     7.630491 
1 1 1 7   -3  45 o 8.0093  3.6594  -5.3932   17.516    0.0000    0.0000    -5.3932   17.516    ?       ?       8.0093  3.6594  ?              ?        
1 1 1 7   -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -2  2  o 233.175 6.2986  7291.73   393.386   7291.73   393.386   0.0000    0.0000    233.175 6.2986  ?       ?       ?              ?        
1 1 1 7   -2  3  o 263.581 4.9750  9322.67   351.084   9648.98   496.958   8997.54   496.057   268.194 6.9180  258.967 7.1515  9.226532       9.950027 
1 1 1 7   -2  4  o 231.310 4.4298  7175.64   274.431   7078.44   388.448   7272.49   387.760   229.744 6.3125  232.876 6.2165  -3.132767      8.859610 
1 1 1 7   -2  5  o 162.977 3.2778  3559.83   143.087   3558.69   202.002   3560.98   202.711   162.951 4.6282  163.003 4.6429  -0.5203247E-01 6.555669 
1 1 1 7   -2  6  o 458.571 8.4725  28298.17  1040.65   28370.21  1471.38   28226.08  1472.03   459.158 11.964  457.984 12.000  1.174377       16.94499 
1 1 1 7   -2  7  f 245.728 4.7248  8099.84   310.878   7856.20   439.110   8344.68   440.186   242.018 6.7739  249.439 6.5885  -7.420914      9.449499 
1 1 1 7   -2  8  o 109.768 2.4393  1614.42   71.711    1630.54   101.121   1598.11   101.711   110.320 3.4221  109.216 3.4769  1.103432       4.878513 
1 1 1 7   -2  9  o 263.625 4.9861  9322.25   352.072   9244.85   497.502   9399.91   498.308   262.528 7.0751  264.723 7.0278  -2.195251      9.972255 
1 1 1 7   -2  10 o 151.372 3.1139  3070.51   126.249   3072.16   178.209   3068.85   178.879   151.412 4.3942  151.331 4.4131  0.8186340E-01  6.227713 
1 1 1 7   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -2  12 o 105.188 2.4046  1482.53   67.713    1421.35   95.386    1544.68   96.141    103.000 3.4575  107.377 3.3428  -4.377029      4.809207 
1 1 1 7   -2  13 o 384.950 7.0952  19917.37  731.547   19713.60  1034.11   20121.50  1035.02   382.973 10.081  386.928 9.9869  -3.954865      14.19039 
1 1 1 7   -2  14 o 400.695 7.3129  21597.52  784.815   21316.68  1109.37   21878.90  1110.43   398.076 10.404  403.313 10.279  -5.236786      14.62582 
1 1 1 7   -2  15 o 316.426 5.9641  13457.87  505.478   13478.38  714.567   13437.33  715.141   316.668 8.4246  316.183 8.4443  0.4853210      11.92813 
1 1 1 7   -2  16 o 277.236 5.2073  10331.46  386.678   10330.71  546.555   10332.21  547.136   277.227 7.3605  277.246 7.3679  -0.1904297E-01 10.41455 
1 1 1 7   -2  17 o 243.508 4.6665  7972.93   304.357   7896.81   430.100   8049.29   430.753   242.339 6.6261  244.676 6.5728  -2.336380      9.333074 
1 1 1 7   -2  18 f 113.166 2.6032  1717.89   78.907    1713.74   111.362   1722.08   111.822   113.029 3.6784  113.303 3.6846  -0.2744217     5.206444 
1 1 1 7   -2  19 o 230.375 4.5072  7150.13   278.112   7098.44   393.045   7201.96   393.575   229.537 6.3929  231.213 6.3552  -1.675781      9.014308 
1 1 1 7   -2  20 o 33.621  1.7393  152.323   15.553    148.757   21.849    155.985   22.143    33.219  2.4733  34.023  2.4462  -0.8040352     3.478663 
1 1 1 7   -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -2  22 o 180.795 3.6174  4401.22   175.176   4374.59   247.504   4427.95   247.969   180.245 5.1266  181.345 5.1051  -1.100113      7.234896 
1 1 1 7   -2  23 o 122.415 3.7787  2013.20   123.897   2013.20   123.897   0.0000    0.0000    122.415 3.7787  ?       ?       ?              ?        
1 1 1 7   -2  24 o 83.323  3.0230  931.750   67.466    931.750   67.466    0.0000    0.0000    83.323  3.0230  ?       ?       ?              ?        
1 1 1 7   -2  25 o 200.070 5.5322  5402.29   296.462   5402.29   296.462   0.0000    0.0000    200.070 5.5322  ?       ?       ?              ?        
1 1 1 7   -2  26 o 93.740  3.2597  1180.50   81.846    0.0000    0.0000    1180.50   81.846    ?       ?       93.740  3.2597  ?              ?        
1 1 1 7   -2  27 o 94.982  3.3461  1213.17   85.127    0.0000    0.0000    1213.17   85.127    ?       ?       94.982  3.3461  ?              ?        
1 1 1 7   -2  28 o 156.865 4.2219  3410.41   164.048   3187.75   288.818   3516.46   199.321   152.497 7.0709  161.234 4.6154  -8.736954      8.443889 
1 1 1 7   -2  29 o 52.836  2.2570  392.268   30.474    290.497   45.511    474.984   41.030    46.237  3.7060  59.435  2.5773  -13.19735      4.514075 
1 1 1 7   -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -2  31 f 60.714  2.1829  503.935   34.918    466.561   52.770    533.046   46.573    58.586  3.3771  62.841  2.7669  -4.255436      4.365881 
1 1 1 7   -2  32 o 20.857  2.5635  57.196    13.432    87.072    21.886    39.145    17.012    25.106  3.3374  16.609  3.8921  8.496904       5.127060 
1 1 1 7   -2  33 o 25.690  2.5002  92.360    16.057    89.241    26.394    94.193    20.232    25.196  4.0482  26.184  2.9353  -0.9886570     5.000382 
1 1 1 7   -2  34 o 11.627  2.9095  16.646    11.139    13.090    18.730    18.591    13.856    11.464  4.3794  11.789  3.8317  -0.3249702     5.819058 
1 1 1 7   -2  35 o 48.559  2.3355  335.815   28.884    276.020   45.254    376.920   37.521    44.541  3.8305  52.577  2.6731  -8.036228      4.670993 
1 1 1 7   -2  36 o 24.235  2.7046  82.238    16.384    87.846    27.302    79.081    20.482    24.718  4.2787  23.752  3.3094  0.9655190      5.409177 
1 1 1 7   -2  37 o 28.631  2.8217  124.625   19.263    93.125    31.532    143.380   24.331    25.078  4.8698  32.184  2.8520  -7.105665      5.643479 
1 1 1 7   -2  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -2  39 o 17.455  3.2280  37.593    14.890    76.494    27.820    21.974    17.628    22.341  4.7927  12.570  4.3256  9.770547       6.456063 
1 1 1 7   -2  40 o 43.329  2.4181  257.181   27.023    328.803   45.390    217.855   33.633    47.648  3.5827  39.010  3.2484  8.638790       4.836122 
1 1 1 7   -2  41 o 16.616  3.2769  32.613    15.469    80.109    28.840    13.430    18.329    22.308  4.9556  10.924  4.2888  11.38320       6.553705 
1 1 1 7   -2  42 o 20.151  3.5632  63.934    18.025    76.802    32.847    58.389    21.562    21.037  5.6915  19.265  4.2888  1.772049       7.126492 
1 1 1 7   -2  43 o 10.578  3.2067  -0.5412   14.165    26.959    29.249    -8.9676   16.191    13.655  5.3995  7.5018  3.4607  6.152698       6.413338 
1 1 1 7   -2  44 o 11.553  5.1543  6.0317    32.415    6.0317    32.415    0.0000    0.0000    11.553  5.1543  ?       ?       ?              ?        
1 1 1 7   -2  45 o 19.573  3.8655  72.212    20.095    78.877    36.500    69.313    24.071    19.162  6.2184  19.983  4.5935  -0.8203087     7.731056 
1 1 1 7   -1  0  o 62.618  2.4731  525.232   41.479    525.232   41.479    0.0000    0.0000    62.618  2.4731  ?       ?       ?              ?        
1 1 1 7   -1  1  o 249.949 6.6816  8379.98   447.324   8379.98   447.324   0.0000    0.0000    249.949 6.6816  ?       ?       ?              ?        
1 1 1 7   -1  2  o 198.769 4.6824  5253.48   235.668   5161.51   288.233   5438.97   409.327   196.215 5.4843  201.323 7.5908  -5.108444      9.364733 
1 1 1 7   -1  3  o 290.110 5.4347  11294.86  422.283   11435.57  597.189   11154.14  597.209   291.921 7.6376  288.299 7.7338  3.621796       10.86945 
1 1 1 7   -1  4  o 296.209 5.5312  11774.96  438.830   11875.35  620.482   11674.49  620.716   297.475 7.7874  294.943 7.8572  2.531921       11.06246 
1 1 1 7   -1  5  o 560.002 10.309  42298.28  1546.35   42212.33  2186.59   42384.27  2187.17   559.429 14.593  560.574 14.567  -1.145203      20.61870 
1 1 1 7   -1  6  o 88.596  2.1162  1051.53   50.216    1054.12   70.839    1048.90   71.194    88.706  2.9815  88.486  3.0039  0.2199860      4.232321 
1 1 1 7   -1  7  o 184.730 3.6100  4574.48   178.583   4461.65   252.242   4687.87   252.869   182.444 5.1618  187.016 5.0481  -4.571564      7.219906 
1 1 1 7   -1  8  o 186.050 3.6390  4640.30   181.290   4504.20   256.067   4777.08   256.699   183.312 5.2152  188.788 5.0765  -5.475479      7.277963 
1 1 1 7   -1  9  o 167.740 3.3259  3770.92   149.424   3805.83   211.177   3735.91   211.459   168.518 4.6785  166.962 4.7285  1.556488       6.651851 
1 1 1 7   -1  10 o 452.437 8.3355  27531.72  1010.09   27805.08  1428.46   27258.35  1428.50   454.693 11.729  450.181 11.847  4.511597       16.67090 
1 1 1 7   -1  11 o 300.723 11.287  12159.70  909.121   0.0000    0.0000    12159.70  909.121   ?       ?       300.723 11.287  ?              ?        
1 1 1 7   -1  12 o 427.620 7.9528  24593.14  910.856   24327.99  1287.74   24858.63  1288.55   425.304 11.304  429.936 11.189  -4.631714      15.90562 
1 1 1 7   -1  13 o 257.169 4.9012  8875.80   337.446   9190.41   477.279   8561.35   477.161   261.735 6.8080  252.603 7.0524  9.132294       9.802334 
1 1 1 7   -1  14 o 318.982 5.9176  13669.04  505.595   13646.92  714.791   13691.19  715.249   318.723 8.3729  319.240 8.3647  -0.5175781     11.83529 
1 1 1 7   -1  15 o 46.934  1.7497  296.006   21.913    301.080   30.856    290.844   31.126    47.343  2.4416  46.526  2.5070  0.8178291      3.499438 
1 1 1 7   -1  16 o 76.733  2.0529  789.915   42.130    837.578   59.496    741.977   59.667    79.059  2.8096  74.407  2.9939  4.651588       4.105737 
1 1 1 7   -1  17 o 41.180  1.7196  228.023   18.882    225.527   26.581    230.566   26.827    40.952  2.4343  41.409  2.4294  -0.4569473     3.439155 
1 1 1 7   -1  18 o 236.064 4.5675  7503.72   288.800   7497.82   408.196   7509.64   408.654   235.971 6.4583  236.156 6.4605  -0.1854095     9.135013 
1 1 1 7   -1  19 o 184.189 3.6578  4562.89   180.437   4638.84   255.040   4486.78   255.314   185.731 5.1267  182.648 5.2188  3.082993       7.315638 
1 1 1 7   -1  20 o 120.309 2.6599  1944.04   85.671    2012.54   121.032   1875.27   121.283   122.439 3.6905  118.179 3.8315  4.260300       5.319837 
1 1 1 7   -1  21 o 51.735  2.6907  365.406   36.537    328.608   54.357    395.735   49.348    49.278  4.1570  54.191  3.4173  -4.912464      5.381362 
1 1 1 7   -1  22 o 153.437 3.2046  3168.38   131.589   3316.02   186.000   3020.44   186.190   157.033 4.4221  149.840 4.6392  7.192825       6.409143 
1 1 1 7   -1  23 f 42.031  2.6804  237.925   30.019    237.925   30.019    0.0000    0.0000    42.031  2.6804  ?       ?       ?              ?        
1 1 1 7   -1  24 o 147.550 4.3959  2928.88   173.729   2928.88   173.729   0.0000    0.0000    147.550 4.3959  ?       ?       ?              ?        
1 1 1 7   -1  25 o 115.492 3.7576  1793.02   116.240   1793.02   116.240   0.0000    0.0000    115.492 3.7576  ?       ?       ?              ?        
1 1 1 7   -1  26 o 68.590  2.8685  631.708   52.699    0.0000    0.0000    631.708   52.699    ?       ?       68.590  2.8685  ?              ?        
1 1 1 7   -1  27 o 158.183 4.6329  3380.22   196.293   0.0000    0.0000    3380.22   196.293   ?       ?       158.183 4.6329  ?              ?        
1 1 1 7   -1  28 o 168.325 3.5261  3844.10   158.937   3745.02   224.725   3943.26   224.817   166.127 5.0504  170.523 4.9222  -4.395935      7.052229 
1 1 1 7   -1  29 o 102.349 2.4378  1414.24   66.808    1369.79   94.233    1459.16   94.730    100.721 3.4930  103.977 3.4014  -3.255692      4.875512 
1 1 1 7   -1  30 f 43.977  1.9002  261.608   22.276    261.278   31.397    261.943   31.609    43.951  2.6799  44.004  2.6948  -0.5361938E-01 3.800481 
1 1 1 7   -1  31 o 18.086  2.4544  46.061    11.396    30.515    15.684    63.451    16.588    14.709  3.9126  21.463  2.9646  -6.753757      4.908873 
1 1 1 7   -1  32 o 61.777  2.0388  517.576   33.696    544.700   47.563    490.244   47.745    63.424  2.7998  60.130  2.9645  3.293781       4.077645 
1 1 1 7   -1  33 o 16.442  3.0540  43.009    13.634    19.241    26.360    51.689    15.930    13.649  5.1999  19.236  3.2045  -5.587072      6.107986 
1 1 1 7   -1  34 o 14.065  2.9895  28.843    12.540    15.510    21.419    35.797    15.469    12.299  4.6868  15.831  3.7124  -3.531870      5.978976 
1 1 1 7   -1  35 o 28.604  2.5842  117.127   18.253    105.857   30.252    123.579   22.890    27.251  4.2860  29.957  2.8885  -2.705507      5.168487 
1 1 1 7   -1  36 o 26.767  2.6440  100.651   17.722    104.141   29.513    98.682    22.163    26.938  4.2297  26.597  3.1738  0.3408947      5.288061 
1 1 1 7   -1  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   -1  38 o 24.482  2.9223  79.674    17.691    124.410   30.856    57.766    21.593    29.253  4.0464  19.710  4.2174  9.542419       5.844645 
1 1 1 7   -1  39 o 35.185  2.6057  178.038   23.092    182.688   38.822    175.493   28.726    35.152  4.2068  35.218  3.0761  -0.6553268E-01 5.211466 
1 1 1 7   -1  40 o 9.3987  2.8537  -3.6682   12.208    16.064    22.402    -12.0033  14.560    11.947  4.7251  6.8505  3.2014  5.096437       5.707498 
1 1 1 7   -1  41 o 21.830  3.3471  73.745    17.930    82.539    32.072    69.747    21.625    22.221  5.4337  21.439  3.9098  0.7819138      6.694173 
1 1 1 7   -1  42 o 13.232  3.4521  19.573    14.550    44.015    29.189    11.493    16.783    16.160  5.5658  10.305  4.0854  5.854478       6.904231 
1 1 1 7   -1  43 o 10.756  3.2459  5.1628    15.032    21.429    28.338    -1.2063   17.732    12.845  5.2325  8.6672  3.8425  4.177631       6.491868 
1 1 1 7   -1  44 o 22.256  4.4658  82.146    25.696    0.0000    0.0000    82.146    25.696    ?       ?       22.256  4.4658  ?              ?        
1 1 1 7   0   0  o 256.906 4.9016  8854.76   337.227   8651.13   476.667   9058.81   477.156   253.944 7.0079  259.868 6.8552  -5.924194      9.803274 
1 1 1 7   0   1  o 424.126 7.8367  24194.72  890.118   23684.85  1258.13   24705.71  1259.50   419.633 11.194  428.618 10.971  -8.984375      15.67336 
1 1 1 7   0   2  o 285.542 5.3676  10941.00  410.514   10864.45  580.679   11017.50  580.430   284.542 7.6191  286.543 7.5626  -2.001404      10.73513 
1 1 1 7   0   3  f 404.909 7.4846  22040.06  811.677   22356.42  1148.18   21724.03  1147.59   407.824 10.511  401.994 10.658  5.830231       14.96922 
1 1 1 7   0   4  o 402.200 7.4388  21744.00  801.362   21618.58  1133.19   21869.47  1133.40   401.036 10.549  403.365 10.491  -2.328674      14.87759 
1 1 1 7   0   5  o 305.686 5.6986  12541.14  466.580   12443.56  659.695   12638.81  659.991   304.494 8.0887  306.878 8.0294  -2.384277      11.39727 
1 1 1 7   0   6  o 124.261 2.6301  2069.07   87.524    2110.55   123.730   2027.52   123.826   125.509 3.6805  123.014 3.7581  2.494797       5.260203 
1 1 1 7   0   7  o 131.497 2.7620  2316.91   97.279    2332.79   137.519   2301.00   137.626   131.949 3.8911  131.046 3.9209  0.9027100      5.523956 
1 1 1 7   0   8  f 635.623 11.729  54569.50  1996.70   55205.03  2824.15   53934.31  2823.38   639.354 16.491  631.892 16.682  7.462280       23.45721 
1 1 1 7   0   9  o 558.704 10.250  42074.90  1533.65   42898.33  2169.42   41252.25  2168.40   564.203 14.356  553.205 14.634  10.99799       20.49965 
1 1 1 7   0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   0   11 o 198.120 3.8519  5263.53   204.274   5037.47   288.488   5490.84   289.287   193.849 5.5562  202.392 5.3364  -8.542908      7.703765 
1 1 1 7   0   12 o 457.898 8.4876  28221.46  1040.98   28236.44  1471.97   28206.48  1472.38   458.021 11.998  457.776 12.008  0.2449036      16.97527 
1 1 1 7   0   13 o 222.784 4.2540  6656.79   253.841   6602.17   358.697   6711.59   359.275   221.868 6.0359  223.701 5.9961  -1.833221      8.508004 
1 1 1 7   0   14 o 374.501 6.9253  18874.24  694.623   18614.28  981.911   19134.67  982.779   371.908 9.8571  377.094 9.7301  -5.186340      13.85051 
1 1 1 7   0   15 o 150.566 3.0644  3040.57   123.523   2924.46   174.356   3157.57   175.022   147.676 4.4080  153.455 4.2582  -5.779465      6.128789 
1 1 1 7   0   16 o 161.888 3.2966  3516.96   142.932   3564.46   202.005   3469.34   202.268   162.985 4.6273  160.791 4.6965  2.194138       6.593121 
1 1 1 7   0   17 o 112.363 2.5200  1693.35   75.843    1688.41   107.078   1698.32   107.438   112.198 3.5631  112.527 3.5646  -0.3289795     5.040043 
1 1 1 7   0   18 o 360.518 6.7912  17636.51  655.781   17669.83  927.242   17603.16  927.586   360.864 9.5931  360.172 9.6151  0.6922302      13.58232 
1 1 1 7   0   19 o 153.961 3.1635  3185.05   130.456   3195.31   184.299   3174.75   184.685   154.211 4.4619  153.711 4.4858  0.4997406      6.326993 
1 1 1 7   0   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   0   21 o 129.312 2.8062  2246.64   97.185    2280.21   137.314   2212.94   137.567   130.283 3.9350  128.340 4.0019  1.943024       5.612374 
1 1 1 7   0   22 o 105.307 2.4682  1489.00   69.619    1490.75   98.245    1487.24   98.669    105.370 3.4810  105.244 3.5002  0.1258240      4.936483 
1 1 1 7   0   23 o 220.738 5.3774  6625.25   297.970   6655.81   363.537   6562.67   520.129   222.011 6.1134  219.464 8.8483  2.546539       10.75481 
1 1 1 7   0   24 o 140.868 4.2338  2669.21   159.746   2669.21   159.746   0.0000    0.0000    140.868 4.2338  ?       ?       ?              ?        
1 1 1 7   0   25 o 143.399 4.2538  2768.13   163.386   2768.13   163.386   0.0000    0.0000    143.399 4.2538  ?       ?       ?              ?        
1 1 1 7   0   26 o 92.069  3.2546  1139.50   80.260    0.0000    0.0000    1139.50   80.260    ?       ?       92.069  3.2546  ?              ?        
1 1 1 7   0   27 o 192.153 5.4213  5010.89   279.024   0.0000    0.0000    5010.89   279.024   ?       ?       192.153 5.4213  ?              ?        
1 1 1 7   0   28 o 173.926 3.5917  4113.40   167.238   3961.91   236.336   4265.32   236.684   170.671 5.1699  177.180 4.9873  -6.509048      7.183361 
1 1 1 7   0   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   0   30 o 71.494  2.0870  690.515   39.961    695.674   56.232    685.250   56.798    71.769  2.9252  71.219  2.9775  0.5505447      4.174006 
1 1 1 7   0   31 f 45.055  1.9349  275.707   23.205    291.332   32.724    259.903   32.911    46.364  2.6461  43.746  2.8238  2.617451       3.869857 
1 1 1 7   0   32 o 75.232  2.1515  768.730   43.354    773.894   61.200    763.527   61.423    75.491  3.0267  74.973  3.0587  0.5183258      4.303098 
1 1 1 7   0   33 o 23.815  2.2063  78.533    13.642    68.308    19.000    89.413    19.600    22.142  3.3048  25.487  2.9240  -3.344469      4.412632 
1 1 1 7   0   34 o 36.080  2.0039  178.272   19.209    175.714   27.013    180.888   27.321    35.815  2.8392  36.345  2.8288  -0.5294380     4.007867 
1 1 1 7   0   35 o 36.852  2.0512  186.935   20.065    192.455   28.100    181.193   28.661    37.436  2.8231  36.267  2.9766  1.168144       4.102498 
1 1 1 7   0   36 o 41.446  2.0346  237.091   22.328    208.126   31.176    267.595   31.994    38.771  3.0261  44.122  2.7205  -5.351192      4.069179 
1 1 1 7   0   37 o 22.714  3.7076  74.249    21.778    0.0000    0.0000    74.249    21.778    ?       ?       22.714  3.7076  ?              ?        
1 1 1 7   0   38 o 11.396  3.0800  9.7008    12.274    28.142    23.265    2.5878    14.449    14.137  4.9633  8.6556  3.6483  5.481688       6.159924 
1 1 1 7   0   39 o 37.687  2.7476  213.278   25.411    189.794   42.752    226.107   31.599    35.369  4.6234  40.005  2.9702  -4.635159      5.495226 
1 1 1 7   0   40 o 19.736  3.2012  71.643    17.873    23.468    30.895    95.876    21.912    13.759  5.5137  25.713  3.2544  -11.95402      6.402464 
1 1 1 7   0   41 o 16.903  3.5847  47.156    16.920    43.627    30.941    48.662    20.209    16.218  5.7212  17.589  4.3208  -1.371422      7.169477 
1 1 1 7   0   42 o 10.390  3.1358  6.6667    14.322    7.9925    26.334    6.1099    17.066    11.264  4.8422  9.5162  3.9856  1.747520       6.271503 
1 1 1 7   0   43 o 15.142  6.2676  38.231    41.499    38.231    41.499    0.0000    0.0000    15.142  6.2676  ?       ?       ?              ?        
1 1 1 7   0   44 o 9.3551  2.9939  0.0380    14.907    -5.9247   28.478    2.2885    17.496    9.8855  4.5706  8.8247  3.8681  1.060806       5.987739 
1 1 1 7   1   0  o 259.237 4.8873  9014.73   339.355   9023.12   479.627   9006.31   480.215   259.358 6.9042  259.115 6.9192  0.2425842      9.774623 
1 1 1 7   1   1  o 173.432 3.4596  4032.14   160.681   4113.92   226.917   3949.90   227.558   175.198 4.8356  171.667 4.9490  3.531097       6.919205 
1 1 1 7   1   2  o 258.210 4.8861  8943.16   337.921   8899.48   478.005   8986.80   477.781   257.578 6.9284  258.841 6.8914  -1.262665      9.772114 
1 1 1 7   1   3  o 337.324 6.2690  15283.52  566.106   14690.49  800.289   15877.45  800.900   330.756 9.0334  343.893 8.6949  -13.13651      12.53809 
1 1 1 7   1   4  o 363.560 6.7234  17753.37  654.717   17779.39  925.970   17727.36  925.849   363.827 9.5019  363.293 9.5147  0.5342712      13.44678 
1 1 1 7   1   5  o 57.509  1.7401  443.013   26.803    441.705   37.880    444.323   37.932    57.424  2.4628  57.594  2.4589  -0.1699562     3.480118 
1 1 1 7   1   6  o 157.417 3.2043  3320.83   135.103   3348.43   191.079   3293.23   191.049   158.071 4.5131  156.762 4.5500  1.309097       6.408635 
1 1 1 7   1   7  o 423.775 7.8360  24141.21  889.439   24120.30  1257.77   24162.12  1257.95   423.590 11.086  423.959 11.078  -0.3681641     15.67192 
1 1 1 7   1   8  o 341.690 6.4022  15675.65  585.859   15962.63  828.661   15388.85  828.399   344.824 8.9720  338.555 9.1353  6.269104       12.80431 
1 1 1 7   1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   1   10 o 274.102 5.1777  10079.25  380.099   9908.11   537.314   10250.68  537.770   271.769 7.3814  276.435 7.2630  -4.665680      10.35550 
1 1 1 7   1   11 o 482.413 8.8967  31332.12  1149.56   31467.24  1625.73   31196.99  1625.73   483.459 12.555  481.367 12.609  2.091553       17.79339 
1 1 1 7   1   12 o 572.718 10.542  44299.45  1617.02   44802.34  2287.05   43796.76  2286.56   575.995 14.824  569.441 14.991  6.554138       21.08313 
1 1 1 7   1   13 o 293.480 5.5142  11567.24  433.458   11588.17  612.853   11546.29  613.150   293.747 7.7892  293.214 7.8072  0.5331421      11.02832 
1 1 1 7   1   14 o 82.825  2.0733  919.174   45.994    914.170   64.908    924.220   65.183    82.598  2.9338  83.051  2.9302  -0.4528503     4.146506 
1 1 1 7   1   15 f 161.173 3.3150  3485.48   143.088   3548.51   202.235   3422.29   202.479   162.635 4.6425  159.712 4.7332  2.923935       6.629930 
1 1 1 7   1   16 o 132.145 2.8356  2342.74   100.360   2366.59   141.805   2318.81   142.056   132.820 3.9860  131.470 4.0341  1.350143       5.671158 
1 1 1 7   1   17 o 118.402 2.5645  1880.74   81.330    1881.84   114.861   1879.63   115.177   118.437 3.6207  118.367 3.6328  0.7009888E-01  5.129063 
1 1 1 7   1   18 o 120.466 2.6101  1947.68   84.218    1959.45   118.957   1935.86   119.248   120.832 3.6755  120.100 3.7070  0.7316895      5.220256 
1 1 1 7   1   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   1   20 o 99.853  2.3742  1338.31   63.490    1359.67   89.656    1316.83   89.922    100.654 3.3255  99.051  3.3894  1.602364       4.748355 
1 1 1 7   1   21 o 175.724 3.5159  4156.24   165.485   4149.28   233.831   4163.21   234.233   175.577 4.9722  175.871 4.9724  -0.2945099     7.031856 
1 1 1 7   1   22 o 130.578 2.8837  2291.62   100.855   2297.65   142.419   2285.55   142.843   130.752 4.0666  130.404 4.0896  0.3473663      5.767303 
1 1 1 7   1   23 o 62.199  2.5330  523.702   38.621    528.218   46.390    513.503   69.718    62.748  2.7602  61.650  4.2480  1.098179       5.065958 
1 1 1 7   1   24 o 140.412 4.1392  2652.18   155.672   2652.18   155.672   0.0000    0.0000    140.412 4.1392  ?       ?       ?              ?        
1 1 1 7   1   25 o 191.432 5.3758  4952.50   275.641   4952.50   275.641   0.0000    0.0000    191.432 5.3758  ?       ?       ?              ?        
1 1 1 7   1   26 o 228.864 6.3564  7129.05   389.654   0.0000    0.0000    7129.05   389.654   ?       ?       228.864 6.3564  ?              ?        
1 1 1 7   1   27 o 119.291 3.8728  1920.52   123.742   0.0000    0.0000    1920.52   123.742   ?       ?       119.291 3.8728  ?              ?        
1 1 1 7   1   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   1   29 o 62.632  1.9988  529.046   33.516    507.763   47.201    550.688   47.598    61.355  2.8722  63.910  2.7806  -2.555080      3.997635 
1 1 1 7   1   30 o 25.927  2.0906  92.193    14.133    78.770    19.720    106.368   20.265    23.920  3.1550  27.934  2.7438  -4.014332      4.181241 
1 1 1 7   1   31 o 30.126  2.0128  124.043   15.994    112.332   22.427    136.163   22.815    28.640  2.9666  31.611  2.7211  -2.971035      4.025521 
1 1 1 7   1   32 o 34.812  1.9767  165.281   18.255    155.026   25.497    176.066   26.148    33.684  2.8528  35.939  2.7369  -2.254520      3.953413 
1 1 1 7   1   33 o 50.744  2.0070  351.225   27.163    355.607   38.163    346.726   38.672    51.077  2.8001  50.410  2.8761  0.6679344      4.014032 
1 1 1 7   1   34 o 26.851  2.2019  100.085   15.501    105.784   21.713    94.161    22.136    27.680  2.9754  26.021  3.2466  1.658398       4.403777 
1 1 1 7   1   35 o 54.234  2.0598  404.205   29.809    411.383   42.144    397.019   42.167    54.730  2.8851  53.738  2.9407  0.9922676      4.119653 
1 1 1 7   1   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   1   37 o 11.339  2.9099  15.928    11.406    14.081    15.708    17.987    16.590    10.905  4.0438  11.772  4.1853  -0.8669472     5.819739 
1 1 1 7   1   38 o 32.244  2.1593  147.041   18.409    142.109   26.211    151.842   25.861    31.663  3.1317  32.825  2.9737  -1.161896      4.318583 
1 1 1 7   1   39 o 19.666  2.7451  57.729    13.923    44.429    19.031    73.046    20.424    17.018  4.2006  22.314  3.5350  -5.295595      5.490136 
1 1 1 7   1   40 o 24.110  3.3546  93.224    19.544    86.578    34.443    96.379    23.734    22.658  5.6847  25.561  3.5635  -2.902830      6.709297 
1 1 1 7   1   41 o 19.223  3.4241  50.167    17.372    97.919    31.710    29.690    20.765    24.594  4.9845  13.852  4.6960  10.74175       6.848167 
1 1 1 7   1   42 o 13.632  3.4489  11.183    15.024    65.284    32.433    -3.5969   16.952    19.016  5.8217  8.2468  3.6997  10.76939       6.897846 
1 1 1 7   1   43 o 13.536  3.7445  25.827    17.240    41.712    35.880    21.059    19.657    15.157  5.9845  11.915  4.5021  3.241838       7.488906 
1 1 1 7   2   0  o 36.704  1.5316  181.127   14.986    184.387   21.093    177.805   21.294    37.041  2.1351  36.368  2.1963  0.6731033      3.063111 
1 1 1 7   2   1  o 84.592  2.0887  958.902   47.310    981.643   66.683    935.854   67.133    85.603  2.9083  83.582  2.9987  2.021057       4.177387 
1 1 1 7   2   2  o 321.286 5.9797  13857.26  514.531   13614.56  727.551   14100.09  727.763   318.466 8.5293  324.107 8.3832  -5.641815      11.95940 
1 1 1 7   2   3  o 363.651 6.7748  17762.13  659.884   17841.60  933.426   17682.73  933.009   364.466 9.5617  362.835 9.6003  1.630646       13.54962 
1 1 1 7   2   4  o 197.738 3.8581  5241.55   204.329   5182.34   289.048   5300.68   288.883   196.620 5.4885  198.855 5.4237  -2.234482      7.716226 
1 1 1 7   2   5  o 102.298 2.3422  1401.98   64.177    1407.95   90.815    1396.03   90.706    102.516 3.3073  102.081 3.3174  0.4349518      4.684432 
1 1 1 7   2   6  o 278.638 5.2457  10415.03  391.503   10442.13  553.620   10387.92  553.716   279.001 7.4083  278.274 7.4289  0.7264709      10.49149 
1 1 1 7   2   7  o 501.014 9.2477  33791.76  1240.75   32988.57  1754.02   34596.15  1755.34   495.025 13.229  507.003 12.926  -11.97745      18.49539 
1 1 1 7   2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   2   9  o 311.091 5.8414  12988.22  486.707   13147.90  688.385   12828.61  688.231   313.007 8.2108  309.176 8.3107  3.831665       11.68274 
1 1 1 7   2   10 o 629.287 11.602  53498.40  1955.48   53273.43  2765.19   53723.45  2765.75   627.953 16.440  630.621 16.374  -2.668823      23.20325 
1 1 1 7   2   11 o 48.610  1.7822  317.108   23.144    329.978   32.738    304.250   32.723    49.632  2.4627  47.588  2.5768  2.044338       3.564368 
1 1 1 7   2   12 o 436.128 8.0735  25618.16  943.070   25926.62  1333.77   25309.76  1333.63   438.769 11.349  433.488 11.486  5.280334       16.14708 
1 1 1 7   2   13 o 82.533  2.1267  912.702   47.014    911.475   66.388    913.937   66.587    82.477  3.0051  82.588  3.0101  -0.1112671     4.253438 
1 1 1 7   2   14 o 304.213 5.7217  12454.90  466.182   12629.82  659.256   12279.95  659.306   306.360 8.0340  302.066 8.1489  4.293915       11.44333 
1 1 1 7   2   15 o 165.491 3.4064  3676.64   150.966   3754.63   213.443   3598.57   213.553   167.252 4.7645  163.731 4.8695  3.520782       6.812710 
1 1 1 7   2   16 o 279.368 5.2771  10524.25  394.862   10614.95  558.330   10433.49  558.508   280.581 7.4292  278.155 7.4964  2.425690       10.55414 
1 1 1 7   2   17 o 153.872 3.1276  3179.99   128.903   3185.94   182.166   3174.02   182.428   154.017 4.4158  153.727 4.4305  0.2898560      6.255285 
1 1 1 7   2   18 o 158.320 3.2092  3368.56   136.064   3285.02   192.101   3452.67   192.748   156.345 4.5873  160.296 4.4893  -3.951721      6.418492 
1 1 1 7   2   19 f 309.181 7.2496  13026.68  565.184   13109.43  981.316   12985.60  691.367   308.932 11.859  309.431 8.3417  -0.4982605     14.49916 
1 1 1 7   2   20 o 189.725 3.8369  4849.84   194.905   5005.92   275.569   4693.60   275.706   192.798 5.3363  186.652 5.5147  6.146576       7.673865 
1 1 1 7   2   21 o 77.027  2.1131  796.678   43.553    835.747   61.481    757.324   61.705    78.928  2.9082  75.126  3.0665  3.801674       4.226207 
1 1 1 7   2   22 o 108.825 2.5655  1590.69   74.776    1606.14   105.621   1575.16   105.879   109.357 3.6059  108.293 3.6502  1.063774       5.130945 
1 1 1 7   2   23 o 191.333 4.8026  4994.63   229.930   5064.02   280.361   4852.06   401.844   193.768 5.4019  188.897 7.9422  4.870697       9.605184 
1 1 1 7   2   24 o 151.802 4.4341  3103.59   180.292   3103.59   180.292   0.0000    0.0000    151.802 4.4341  ?       ?       ?              ?        
1 1 1 7   2   25 o 102.453 3.4361  1411.77   94.294    1411.77   94.294    0.0000    0.0000    102.453 3.4361  ?       ?       ?              ?        
1 1 1 7   2   26 o 111.301 3.6818  1669.45   109.761   0.0000    0.0000    1669.45   109.761   ?       ?       111.301 3.6818  ?              ?        
1 1 1 7   2   27 o 116.684 3.7796  1838.90   118.125   0.0000    0.0000    1838.90   118.125   ?       ?       116.684 3.7796  ?              ?        
1 1 1 7   2   28 o 18.189  4.3742  46.736    21.049    0.0000    0.0000    46.736    21.049    ?       ?       18.189  4.3742  ?              ?        
1 1 1 7   2   29 o 63.261  2.0291  540.313   34.378    529.863   48.358    550.990   48.883    62.640  2.8822  63.881  2.8569  -1.241230      4.058194 
1 1 1 7   2   30 o 77.997  2.1672  824.377   45.253    790.937   63.706    858.434   64.292    76.386  3.1137  79.608  3.0151  -3.222443      4.334314 
1 1 1 7   2   31 o 11.070  2.0232  7.9107    8.6920    -17.2481  11.751    38.308    12.916    5.5910  2.6871  16.550  3.0253  -10.95889      4.046344 
1 1 1 7   2   32 o 27.514  2.1342  104.256   15.452    108.397   21.727    100.018   21.980    28.095  2.9304  26.934  3.1035  1.160910       4.268339 
1 1 1 7   2   33 o 59.036  2.0529  475.885   32.362    499.774   45.615    451.676   45.920    60.598  2.8104  57.474  2.9933  3.124592       4.105844 
1 1 1 7   2   34 o 13.703  2.4020  24.209    10.691    50.449    15.358    -0.4601   14.892    18.946  3.1361  8.4596  3.6391  10.48683       4.804029 
1 1 1 7   2   35 o 10.544  2.4891  9.2927    10.015    28.042    14.323    -8.6442   14.010    13.935  3.7535  7.1532  3.2700  6.781358       4.978123 
1 1 1 7   2   36 o 47.826  2.0656  317.164   26.315    303.004   37.070    331.548   37.363    46.714  2.9782  48.937  2.8629  -2.223366      4.131105 
1 1 1 7   2   37 o 11.498  2.7893  16.956    10.851    8.2556    15.403    25.527    15.289    9.7798  3.9022  13.216  3.9867  -3.436623      5.578589 
1 1 1 7   2   38 o 34.201  2.1543  166.159   19.430    183.258   27.496    149.104   27.461    36.080  2.8689  32.323  3.2145  3.756989       4.308514 
1 1 1 7   2   39 o 23.071  2.5764  78.600    15.388    81.175    22.081    76.169    21.456    23.450  3.6330  22.691  3.6542  0.7590466      5.152883 
1 1 1 7   2   40 o 25.974  2.6371  102.063   17.044    70.445    23.915    134.697   24.297    21.300  4.3391  30.648  2.9982  -9.347677      5.274175 
1 1 1 7   2   41 o 11.381  3.0412  17.017    12.705    18.531    17.467    15.315    18.513    11.596  4.2710  11.165  4.3307  0.4313965      6.082402 
1 1 1 7   2   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   3   0  o 236.371 4.5153  7492.31   285.855   7395.27   403.779   7589.82   404.743   234.835 6.4194  237.907 6.3516  -3.072113      9.030560 
1 1 1 7   3   1  f 160.607 3.2256  3456.75   138.759   3430.60   195.941   3483.04   196.529   159.997 4.5722  161.216 4.5512  -1.218704      6.451247 
1 1 1 7   3   2  o 498.698 9.1642  33483.95  1223.96   34108.75  1731.43   32859.85  1730.46   503.373 12.842  494.024 13.077  9.348328       18.32844 
1 1 1 7   3   3  o 620.789 11.432  52041.18  1899.95   53937.16  2688.56   50149.78  2685.31   632.175 15.878  609.404 16.451  22.77142       22.86378 
1 1 1 7   3   4  o 265.299 5.0333  9440.49   357.662   9492.63   505.994   9388.43   505.627   266.032 7.1011  264.566 7.1352  1.466064       10.06660 
1 1 1 7   3   5  o 128.908 2.7527  2226.46   95.040    2253.10   134.546   2199.94   134.267   129.677 3.8736  128.138 3.9120  1.539551       5.505361 
1 1 1 7   3   6  o 196.467 3.8028  5175.11   200.030   4996.79   282.768   5353.71   283.002   193.075 5.4678  199.858 5.2866  -6.782364      7.605632 
1 1 1 7   3   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   3   8  o 450.291 8.3467  27272.24  1006.46   27964.21  1423.80   26581.15  1422.89   456.024 11.657  444.558 11.950  11.46609       16.69342 
1 1 1 7   3   9  o 456.798 8.4535  28073.42  1034.29   27893.29  1462.50   28253.65  1462.91   455.326 11.992  458.270 11.918  -2.944580      16.90694 
1 1 1 7   3   10 o 377.210 7.0495  19126.07  712.083   18640.15  1006.60   19612.83  1007.47   372.397 10.092  382.023 9.8459  -9.626038      14.09904 
1 1 1 7   3   11 o 93.962  2.2492  1183.06   56.598    1207.66   79.998    1158.41   80.085    94.941  3.1459  92.984  3.2155  1.956596       4.498459 
1 1 1 7   3   12 o 46.521  1.7575  290.538   21.818    271.139   30.707    310.316   31.006    44.914  2.5632  48.129  2.4052  -3.214672      3.514912 
1 1 1 7   3   13 o 358.037 6.7536  17279.77  647.582   16943.25  915.377   17616.94  916.262   354.525 9.6397  361.548 9.4616  -7.022644      13.50725 
1 1 1 7   3   14 f 157.305 3.2344  3320.54   136.262   3259.95   192.478   3381.42   192.931   155.864 4.6105  158.746 4.5374  -2.882156      6.468741 
1 1 1 7   3   15 o 131.321 2.8207  2313.87   99.213    2288.37   140.137   2339.50   140.481   130.594 4.0063  132.047 3.9719  -1.453003      5.641480 
1 1 1 7   3   16 o 135.032 2.8967  2447.69   104.768   2433.34   148.002   2462.10   148.326   134.635 4.1041  135.430 4.0890  -0.7945251     5.793401 
1 1 1 7   3   17 o 68.043  2.0162  621.147   36.723    645.037   51.866    597.130   52.003    69.357  2.7919  66.729  2.9095  2.628876       4.032377 
1 1 1 7   3   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   3   19 f 117.227 2.6250  1845.26   82.419    1856.82   116.382   1833.62   116.735   117.596 3.6949  116.857 3.7296  0.7397919      5.249966 
1 1 1 7   3   20 o 135.969 2.9551  2484.66   107.620   2496.02   151.970   2473.23   152.426   136.283 4.1632  135.656 4.1950  0.6273804      5.910182 
1 1 1 7   3   21 o 91.736  2.2917  1129.86   56.289    1162.36   79.467    1097.14   79.744    93.063  3.1880  90.408  3.2931  2.655388       4.583419 
1 1 1 7   3   22 o 97.935  2.3907  1287.90   62.711    1291.21   88.488    1284.55   88.886    98.062  3.3689  97.807  3.3929  0.2550278      4.781380 
1 1 1 7   3   23 o 26.837  3.1336  114.761   18.389    133.388   21.843    69.431    34.075    31.422  2.6192  22.252  5.6937  9.170181       6.267262 
1 1 1 7   3   24 o 125.009 3.8409  2103.09   128.607   2103.09   128.607   0.0000    0.0000    125.009 3.8409  ?       ?       ?              ?        
1 1 1 7   3   25 o 174.294 5.0247  4111.80   234.573   4111.80   234.573   0.0000    0.0000    174.294 5.0247  ?       ?       ?              ?        
1 1 1 7   3   26 o 114.822 3.7461  1779.03   115.211   0.0000    0.0000    1779.03   115.211   ?       ?       114.822 3.7461  ?              ?        
1 1 1 7   3   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   3   28 o 32.308  1.9284  141.882   16.499    132.508   23.345    151.238   23.322    31.218  2.8225  33.399  2.6283  -2.180965      3.856733 
1 1 1 7   3   29 o 91.065  2.3448  1124.57   57.182    1093.84   80.537    1155.81   81.202    89.799  3.3484  92.330  3.2835  -2.531311      4.689640 
1 1 1 7   3   30 o 46.175  1.9344  289.382   23.810    280.317   33.342    298.816   34.014    45.430  2.7531  46.919  2.7182  -1.488396      3.868847 
1 1 1 7   3   31 o 29.476  2.0375  118.916   15.873    116.423   22.036    121.605   22.885    29.158  2.8583  29.795  2.9045  -0.6371250     4.075013 
1 1 1 7   3   32 o 32.859  2.0211  147.888   17.610    148.064   24.773    147.709   25.038    32.883  2.8406  32.835  2.8759  0.4869843E-01  4.042236 
1 1 1 7   3   33 o 16.264  2.6346  38.190    11.334    46.965    15.952    29.243    16.107    18.218  3.3940  14.311  4.0305  3.907175       5.269121 
1 1 1 7   3   34 o 32.402  2.1394  145.594   18.304    154.855   25.692    136.048   26.084    33.504  2.8913  31.301  3.1542  2.203678       4.278862 
1 1 1 7   3   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   3   36 o 15.019  2.9195  33.407    12.109    33.126    17.230    33.681    17.021    14.956  4.1532  15.081  4.1042  -0.1241627     5.838930 
1 1 1 7   3   37 o 40.089  2.1319  226.153   22.717    223.866   31.657    228.581   32.618    39.899  2.9838  40.280  3.0459  -0.3803329     4.263835 
1 1 1 7   3   38 o 13.959  3.0241  29.468    12.371    29.878    17.090    29.018    17.930    14.047  4.2100  13.871  4.3424  0.1755896      6.048177 
1 1 1 7   3   39 o 20.007  2.8013  60.996    14.457    68.291    20.211    53.352    20.688    21.436  3.6509  18.579  4.2496  2.857389       5.602538 
1 1 1 7   3   40 o 24.259  2.6980  88.486    16.947    89.274    23.755    87.669    24.185    24.412  3.7531  24.106  3.8771  0.3062134      5.396080 
1 1 1 7   3   41 o 13.029  3.2231  26.070    13.837    26.485    18.602    25.555    20.701    13.075  4.4447  12.983  4.6690  0.9121704E-01  6.446294 
1 1 1 7   3   42 o 13.221  2.9730  26.577    13.501    45.246    18.821    6.7846    19.379    16.613  4.2211  9.8301  4.1878  6.782443       5.946053 
1 1 1 7   4   0  o 273.501 5.1602  10034.78  377.974   9841.00   533.969   10229.38  535.104   270.850 7.3603  276.151 7.2344  -5.300629      10.32042 
1 1 1 7   4   1  o 349.892 6.4756  16438.36  606.810   16142.61  857.653   16734.80  858.668   346.733 9.2348  353.051 9.0803  -6.317780      12.95116 
1 1 1 7   4   2  o 471.782 8.6801  29943.58  1096.84   30222.96  1551.34   29664.32  1550.99   473.992 12.219  469.572 12.332  4.420410       17.36029 
1 1 1 7   4   3  o 559.913 10.267  42251.05  1539.56   43169.13  2178.13   41334.44  2176.40   566.029 14.367  553.798 14.672  12.23083       20.53478 
1 1 1 7   4   4  o 375.972 6.9338  18986.37  698.107   18527.45  987.087   19445.64  987.458   371.413 9.9222  380.530 9.6881  -9.117340      13.86761 
1 1 1 7   4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   4   6  o 402.907 7.4882  21818.97  807.630   20941.97  1141.59   22697.72  1142.73   394.773 10.796  411.041 10.379  -16.26797      14.97634 
1 1 1 7   4   7  f 504.697 9.2828  34290.70  1254.76   34807.43  1774.96   33774.50  1774.04   508.516 13.032  500.877 13.223  7.639679       18.56557 
1 1 1 7   4   8  o 123.100 2.6232  2030.41   86.488    2054.04   122.322   2006.78   122.302   123.817 3.6884  122.384 3.7310  1.433212       5.246363 
1 1 1 7   4   9  o 135.827 2.8875  2474.09   104.926   2614.63   148.464   2333.85   148.312   139.686 3.9681  131.968 4.1958  7.717804       5.774998 
1 1 1 7   4   10 o 263.462 5.0056  9315.75   353.219   9212.26   499.350   9419.39   499.703   261.995 7.1158  264.930 7.0419  -2.934753      10.01117 
1 1 1 7   4   11 o 376.152 7.0445  19049.75  709.692   18766.72  1003.33   19333.13  1003.98   373.342 10.033  378.962 9.8910  -5.620575      14.08905 
1 1 1 7   4   12 o 520.845 9.7240  36807.68  1356.57   36681.87  1918.28   36933.53  1918.68   519.943 13.774  521.746 13.729  -1.802490      19.44807 
1 1 1 7   4   13 o 226.008 4.3122  6865.28   260.943   6640.83   368.706   7090.53   369.354   222.294 6.1925  229.722 6.0028  -7.427322      8.624373 
1 1 1 7   4   14 o 113.880 2.5603  1739.41   78.096    1730.31   110.304   1748.56   110.585   113.581 3.6257  114.179 3.6159  -0.5977554     5.120643 
1 1 1 7   4   15 o 160.775 3.2866  3472.06   141.518   3408.53   199.921   3535.87   200.353   159.296 4.6856  162.253 4.6101  -2.956039      6.573290 
1 1 1 7   4   16 o 133.855 2.8831  2406.50   103.319   2489.95   146.059   2322.91   146.170   136.185 4.0042  131.525 4.1492  4.659195       5.766175 
1 1 1 7   4   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   4   18 o 167.342 3.4381  3767.53   154.054   3875.60   217.787   3659.30   217.944   169.755 4.7898  164.929 4.9335  4.826157       6.876190 
1 1 1 7   4   19 f 180.377 3.6641  4381.21   176.933   4211.50   249.793   4552.09   250.652   176.854 5.2732  183.900 5.0886  -7.046249      7.328102 
1 1 1 7   4   20 o 91.465  2.2825  1122.80   55.899    1085.01   78.765    1161.15   79.345    89.911  3.2706  93.018  3.1847  -3.106552      4.564981 
1 1 1 7   4   21 o 129.378 2.8624  2250.35   99.164    2311.23   140.124   2189.28   140.353   131.139 3.9893  127.618 4.1060  3.519928       5.724819 
1 1 1 7   4   22 o 111.577 2.5410  1672.81   75.934    1687.11   107.164   1658.39   107.613   112.058 3.5704  111.095 3.6164  0.9624710      5.081947 
1 1 1 7   4   23 o 41.411  2.6681  231.115   29.437    231.115   29.437    0.0000    0.0000    41.411  2.6681  ?       ?       ?              ?        
1 1 1 7   4   24 o 46.210  2.6458  287.693   32.612    287.693   32.612    0.0000    0.0000    46.210  2.6458  ?       ?       ?              ?        
1 1 1 7   4   25 o 60.103  2.8460  485.741   45.817    485.741   45.817    0.0000    0.0000    60.103  2.8460  ?       ?       ?              ?        
1 1 1 7   4   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   4   27 o 86.108  3.2661  1001.80   75.329    0.0000    0.0000    1001.80   75.329    ?       ?       86.108  3.2661  ?              ?        
1 1 1 7   4   28 o 91.028  2.3586  1122.76   57.495    1094.25   81.052    1151.64   81.572    89.854  3.3677  92.201  3.3030  -2.347092      4.717157 
1 1 1 7   4   29 o 19.226  2.4979  55.666    12.299    90.978    17.383    20.277    17.402    25.834  2.5453  12.618  4.2989  13.21601       4.995898 
1 1 1 7   4   30 o 23.645  2.2926  78.801    13.671    100.197   19.363    57.534    19.305    27.072  2.7066  20.218  3.7011  6.853445       4.585217 
1 1 1 7   4   31 o 53.745  2.0137  393.535   28.875    401.752   40.656    385.172   41.016    54.326  2.8035  53.163  2.8913  1.163162       4.027341 
1 1 1 7   4   32 o 29.142  2.1483  117.446   16.359    99.652    22.912    135.952   23.366    26.799  3.2591  31.486  2.7998  -4.687607      4.296576 
1 1 1 7   4   33 o 30.611  2.1592  129.607   17.463    126.082   24.556    133.213   24.838    30.177  3.0813  31.044  3.0255  -0.8671837     4.318335 
1 1 1 7   4   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   4   35 o 20.728  2.7386  62.852    14.584    73.132    20.561    52.445    20.689    22.618  3.5075  18.838  4.2067  3.780638       5.477102 
1 1 1 7   4   36 o 27.282  2.3023  105.814   16.472    100.284   23.169    111.467   23.423    26.514  3.3364  28.049  3.1735  -1.535435      4.604648 
1 1 1 7   4   37 o 34.006  2.2010  164.159   19.819    160.212   27.596    168.363   28.482    33.588  3.1025  34.425  3.1229  -0.8369064     4.402087 
1 1 1 7   4   38 o 15.484  3.0156  36.992    12.982    41.540    18.228    32.310    18.495    16.456  4.1392  14.511  4.3865  1.944969       6.031126 
1 1 1 7   4   39 o 20.956  2.8540  69.626    15.643    110.915   22.434    30.551    21.824    27.774  3.0668  14.137  4.8142  13.63723       5.708037 
1 1 1 7   4   40 o 9.1610  2.6455  -0.4295   11.587    18.809    16.912    -17.4473  15.907    11.606  4.2135  6.7161  3.2002  4.889799       5.290978 
1 1 1 7   4   41 o 11.295  3.0363  12.156    13.876    32.369    20.774    -4.1251   18.645    14.061  4.6974  8.5297  3.8486  5.531402       6.072656 
1 1 1 7   5   0  o 369.688 6.8708  18354.08  680.346   18341.42  961.703   18366.77  962.606   369.560 9.7155  369.815 9.7179  -0.2550354     13.74154 
1 1 1 7   5   1  o 50.875  1.7385  346.691   23.688    346.866   33.312    346.513   33.692    50.888  2.4440  50.862  2.4731  0.2600479E-01  3.476970 
1 1 1 7   5   2  o 599.142 10.988  48409.17  1763.39   48577.02  2493.85   48241.34  2493.77   600.188 15.513  598.096 15.567  2.091675       21.97666 
1 1 1 7   5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   5   4  o 223.773 6.1086  6721.10   366.088   6657.74   520.129   6783.30   515.358   222.724 8.7188  224.823 8.5581  -2.099121      12.21716 
1 1 1 7   5   5  o 318.884 5.9969  13648.64  512.078   14014.18  724.652   13284.04  723.724   323.157 8.3720  314.610 8.5884  8.547638       11.99374 
1 1 1 7   5   6  o 249.428 4.7303  8344.65   315.950   8127.87   446.767   8561.52   446.874   246.183 6.7754  252.674 6.6029  -6.490860      9.460685 
1 1 1 7   5   7  o 304.146 5.7222  12415.09  466.161   12457.35  659.404   12372.86  659.099   304.664 8.0806  303.628 8.1044  1.036804       11.44450 
1 1 1 7   5   8  o 182.449 3.6197  4462.30   176.888   4475.14   250.246   4449.48   250.069   182.712 5.1134  182.187 5.1245  0.5248566      7.239326 
1 1 1 7   5   9  o 591.566 10.910  47353.42  1728.31   46247.86  2443.28   48460.64  2445.11   584.585 15.604  598.546 15.251  -13.96063      21.81956 
1 1 1 7   5   10 o 330.420 6.1793  14682.43  546.878   14609.92  773.232   14755.00  773.572   329.601 8.7585  331.240 8.7190  -1.638702      12.35856 
1 1 1 7   5   11 o 96.196  2.2508  1240.18   57.993    1227.21   81.884    1253.23   82.144    95.692  3.1948  96.701  3.1714  -1.009743      4.501599 
1 1 1 7   5   12 o 209.081 4.0681  5872.37   227.804   5950.09   322.107   5794.58   322.219   210.469 5.7138  207.692 5.7922  2.777054       8.136118 
1 1 1 7   5   13 o 295.897 5.5484  11807.48  439.729   11904.19  621.798   11710.74  621.943   297.117 7.8133  294.676 7.8798  2.441315       11.09678 
1 1 1 7   5   14 o 46.307  1.7703  288.440   21.855    302.439   30.901    274.428   30.915    47.440  2.4402  45.175  2.5655  2.265198       3.540674 
1 1 1 7   5   15 o 15.908  2.0644  35.004    8.4715    35.894    12.039    34.130    11.923    16.117  2.8952  15.699  2.9436  0.4173098      4.128829 
1 1 1 7   5   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   5   17 o 84.250  2.1476  952.172   48.461    939.042   68.370    965.428   68.699    83.666  3.0509  84.835  3.0234  -1.168594      4.295183 
1 1 1 7   5   18 o 124.319 2.6863  2075.54   89.446    2046.42   126.298   2104.84   126.696   123.443 3.8198  125.196 3.7782  -1.753265      5.372676 
1 1 1 7   5   19 o 122.114 2.7302  2003.06   89.295    2022.15   126.055   1983.84   126.510   122.700 3.8355  121.527 3.8865  1.172661       5.460450 
1 1 1 7   5   20 o 79.559  2.1663  849.891   46.128    885.504   65.125    814.034   65.347    81.236  2.9930  77.882  3.1325  3.354408       4.332535 
1 1 1 7   5   21 o 256.539 4.9918  8920.46   343.006   8886.25   484.810   8954.75   485.358   256.042 7.0692  257.036 7.0498  -0.9933777     9.983692 
1 1 1 7   5   22 o 147.494 3.1343  2930.14   123.822   2929.18   174.821   2931.10   175.403   147.471 4.4258  147.517 4.4392  -0.4576111E-01 6.268542 
1 1 1 7   5   23 f 24.472  2.9892  81.655    19.186    81.655    19.186    0.0000    0.0000    24.472  2.9892  ?       ?       ?              ?        
1 1 1 7   5   24 f 45.168  2.7397  275.183   32.989    275.183   32.989    0.0000    0.0000    45.168  2.7397  ?       ?       ?              ?        
1 1 1 7   5   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   5   26 o 58.115  2.8059  455.056   43.676    0.0000    0.0000    455.056   43.676    ?       ?       58.115  2.8059  ?              ?        
1 1 1 7   5   27 o 62.252  2.8734  523.216   47.911    0.0000    0.0000    523.216   47.911    ?       ?       62.252  2.8734  ?              ?        
1 1 1 7   5   28 o 72.133  2.1461  704.667   41.461    707.723   58.371    701.554   58.902    72.296  3.0143  71.970  3.0555  0.3266449      4.292141 
1 1 1 7   5   29 o 48.119  1.9518  314.433   25.035    300.030   35.144    329.273   35.672    46.986  2.8053  49.252  2.7145  -2.266312      3.903632 
1 1 1 7   5   30 o 17.488  2.5113  43.249    11.361    44.956    16.140    41.573    15.996    17.847  3.5013  17.128  3.6009  0.7190075      5.022522 
1 1 1 7   5   31 f 51.100  2.0157  356.293   27.479    355.957   38.746    356.634   38.976    51.078  2.8434  51.122  2.8579  -0.4397964E-01 4.031403 
1 1 1 7   5   32 o 39.235  2.0070  211.214   20.934    217.822   29.431    204.447   29.783    39.880  2.7725  38.589  2.9028  1.290901       4.014045 
1 1 1 7   5   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   5   34 o 11.284  2.7995  15.226    11.030    24.125    15.387    5.8214    15.819    13.011  4.0143  9.5566  3.9031  3.454560       5.599003 
1 1 1 7   5   35 o 16.011  2.6347  38.355    12.541    65.049    17.518    10.288    17.963    21.391  3.1520  10.632  4.2228  10.75926       5.269441 
1 1 1 7   5   36 o 9.0273  2.5175  2.9341    10.049    16.717    14.233    -10.7677  14.191    11.150  3.8839  6.9040  3.2042  4.246426       5.035020 
1 1 1 7   5   37 o 47.788  2.1534  323.399   27.409    312.180   38.392    335.063   39.144    46.917  3.0720  48.658  3.0183  -1.741238      4.306718 
1 1 1 7   5   38 o 27.090  2.4500  107.556   17.256    116.062   23.984    98.429    24.844    28.370  3.2129  25.810  3.6996  2.559994       4.899974 
1 1 1 7   5   39 f 30.069  2.4073  132.768   18.943    143.529   26.508    121.536   27.081    31.484  3.1873  28.655  3.6084  2.829037       4.814515 
1 1 1 7   5   40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   6   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   6   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   6   2  o 371.728 6.9017  18555.91  687.143   18321.30  971.456   18790.82  972.079   369.370 9.8191  374.085 9.7016  -4.715027      13.80346 
1 1 1 7   6   3  o 355.415 6.5633  16959.29  624.778   17157.19  883.789   16761.58  883.349   357.492 9.2298  353.337 9.3337  4.155212       13.12660 
1 1 1 7   6   4  o 118.925 2.6023  1894.94   82.890    1881.37   117.422   1908.43   117.029   118.500 3.6995  119.350 3.6608  -0.8497162     5.204596 
1 1 1 7   6   5  o 242.002 4.6119  7855.19   298.853   7636.61   422.677   8073.70   422.606   238.630 6.6129  245.374 6.4301  -6.743149      9.223734 
1 1 1 7   6   6  o 426.611 7.8733  24477.34  899.595   24128.71  1272.10   24826.11  1272.34   423.559 11.213  429.662 11.056  -6.102814      15.74669 
1 1 1 7   6   7  o 546.873 10.120  40369.64  1482.20   39704.65  2095.76   41035.13  2096.54   542.332 14.427  551.414 14.195  -9.081543      20.23977 
1 1 1 7   6   8  o 91.549  2.2181  1122.97   54.385    1143.79   77.057    1102.30   76.767    92.395  3.1137  90.703  3.1598  1.691704       4.436164 
1 1 1 7   6   9  o 277.635 5.2255  10355.62  388.590   10387.37  549.623   10323.88  549.476   278.061 7.3796  277.208 7.4004  0.8536377      10.45106 
1 1 1 7   6   10 o 125.916 2.6797  2125.66   90.374    2146.69   127.807   2104.62   127.811   126.540 3.7708  125.293 3.8085  1.247261       5.359461 
1 1 1 7   6   11 o 355.317 6.6665  17051.30  634.280   16578.39  896.512   17525.27  897.504   350.344 9.5537  360.290 9.3003  -9.945892      13.33297 
1 1 1 7   6   12 o 102.625 2.3531  1412.50   64.655    1363.65   91.261    1461.72   91.612    100.842 3.3788  104.409 3.2759  -3.567108      4.706104 
1 1 1 7   6   13 o 18.648  1.9098  47.695    9.2240    52.376    13.057    43.030    13.033    19.603  2.5468  17.693  2.8466  1.910261       3.819617 
1 1 1 7   6   14 o 18.849  1.9494  49.008    9.4251    57.848    13.358    40.246    13.300    20.627  2.4668  17.071  3.0191  3.556036       3.898742 
1 1 1 7   6   15 o 93.481  4.4468  1174.13   111.342   0.0000    0.0000    1174.13   111.342   ?       ?       93.481  4.4468  ?              ?        
1 1 1 7   6   16 o 81.201  2.1324  884.649   46.368    905.881   65.492    863.310   65.657    82.180  2.9753  80.222  3.0556  1.957657       4.264893 
1 1 1 7   6   17 o 82.782  2.1510  919.351   47.689    902.026   67.277    936.848   67.609    81.997  3.0632  83.567  3.0205  -1.569756      4.301948 
1 1 1 7   6   18 o 66.160  2.0400  587.184   36.148    591.646   51.002    582.680   51.242    66.413  2.8671  65.907  2.9027  0.5064545      4.079957 
1 1 1 7   6   19 o 154.175 3.2149  3197.10   132.756   3164.92   187.539   3229.42   187.954   153.395 4.5645  154.955 4.5285  -1.560532      6.429771 
1 1 1 7   6   20 o 59.541  1.9642  475.651   31.323    477.783   44.152    473.491   44.445    59.675  2.7622  59.406  2.7932  0.2698708      3.928381 
1 1 1 7   6   21 o 42.516  1.8666  243.774   21.089    221.625   29.673    266.382   29.979    40.544  2.7487  44.487  2.5263  -3.943310      3.733265 
1 1 1 7   6   22 o 119.564 2.7283  1924.69   87.369    1940.56   123.369   1908.71   123.749   120.062 3.8363  119.066 3.8803  0.9963531      5.456524 
1 1 1 7   6   23 f 71.265  3.0181  682.914   57.610    682.914   57.610    0.0000    0.0000    71.265  3.0181  ?       ?       ?              ?        
1 1 1 7   6   24 o 41.659  3.6509  235.924   40.327    235.924   40.327    0.0000    0.0000    41.659  3.6509  ?       ?       ?              ?        
1 1 1 7   6   25 o 85.096  3.2913  990.708   74.333    956.470   109.749   1019.73   101.037   83.639  4.9206  86.554  4.3724  -2.914757      6.582563 
1 1 1 7   6   26 o 77.549  3.1162  812.682   64.729    0.0000    0.0000    812.682   64.729    ?       ?       77.549  3.1162  ?              ?        
1 1 1 7   6   27 f 88.655  2.8744  1105.75   64.096    971.321   106.894   1181.22   80.092    83.944  4.7739  93.365  3.2027  -9.421928      5.748707 
1 1 1 7   6   28 o 27.842  2.0709  106.355   15.176    111.602   21.188    100.829   21.746    28.581  2.8038  27.103  3.0485  1.478504       4.141861 
1 1 1 7   6   29 o 26.297  2.1177  95.180    14.631    98.390    20.468    91.826    20.923    26.778  2.9001  25.817  3.0869  0.9609051      4.235496 
1 1 1 7   6   30 o 29.784  2.1880  124.122   16.710    153.200   23.528    94.526    23.736    33.507  2.6430  26.062  3.4878  7.445175       4.376060 
1 1 1 7   6   31 o 21.969  2.4245  68.301    13.497    50.559    18.768    87.304    19.424    18.806  3.8554  25.133  2.9410  -6.326872      4.849026 
1 1 1 7   6   32 o 62.344  2.1557  536.532   35.700    597.353   50.210    474.352   50.768    66.078  2.8369  58.610  3.2466  7.467468       4.311460 
1 1 1 7   6   33 o 22.201  2.5970  70.841    14.773    83.065    20.980    58.821    20.804    24.274  3.3134  20.128  3.9998  4.146288       5.193941 
1 1 1 7   6   34 o 9.2102  2.4948  3.1767    9.9253    -12.0111  13.957    18.716    14.118    6.7510  3.1480  11.669  3.8713  -4.918441      4.989664 
1 1 1 7   6   35 o 27.306  2.3445  107.154   16.595    120.918   23.183    92.687    23.767    29.289  2.9973  25.323  3.6059  3.965981       4.688984 
1 1 1 7   6   36 o 38.930  2.1502  214.404   22.236    207.467   31.208    221.557   31.691    38.267  3.0706  39.593  3.0109  -1.325649      4.300448 
1 1 1 7   6   37 o 35.698  2.2752  183.621   21.332    204.572   29.836    161.712   30.511    37.986  2.9557  33.409  3.4597  4.576714       4.550346 
1 1 1 7   6   38 o 10.697  2.9237  13.198    11.918    11.668    16.947    14.696    16.764    10.454  4.1176  10.941  4.1519  -0.4866648     5.847456 
1 1 1 7   6   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   6   40 o 8.0702  2.5292  -4.1912   11.184    -13.5310  15.262    6.6440    16.438    6.7861  3.2043  9.3544  3.9142  -2.568306      5.058468 
1 1 1 7   7   0  f 412.337 7.6263  22844.44  842.276   22811.14  1190.68   22877.79  1191.63   412.036 10.789  412.639 10.782  -0.6023560     15.25256 
1 1 1 7   7   1  o 142.989 2.9931  2739.76   114.604   2662.86   161.695   2817.38   162.458   140.972 4.2823  145.006 4.1828  -4.034119      5.986119 
1 1 1 7   7   2  o 420.003 7.7515  23708.09  871.998   23507.46  1232.88   23908.92  1233.50   418.219 11.006  421.787 10.918  -3.567871      15.50296 
1 1 1 7   7   3  o 434.690 8.0347  25415.42  934.903   26474.20  1323.02   24359.42  1321.28   443.771 11.131  425.610 11.590  18.16113       16.06941 
1 1 1 7   7   4  o 373.730 6.9719  18765.47  697.902   18752.20  987.140   18778.73  986.826   373.597 9.8648  373.862 9.8546  -0.2654419     13.94371 
1 1 1 7   7   5  o 218.425 4.2250  6397.86   247.178   6351.04   349.769   6444.57   349.357   217.625 6.0004  219.224 5.9496  -1.599152      8.450070 
1 1 1 7   7   6  o 309.424 5.7596  12858.25  477.326   12719.75  675.099   12996.71  674.982   307.753 8.1899  311.095 8.1005  -3.341827      11.51918 
1 1 1 7   7   7  o 306.681 5.7810  12640.30  474.781   12350.70  671.343   12930.07  671.542   303.155 8.2678  310.207 8.0822  -7.052826      11.56199 
1 1 1 7   7   8  o 107.880 2.4446  1560.15   70.620    1519.49   99.961    1600.66   99.783    106.476 3.5050  109.285 3.4088  -2.809387      4.889299 
1 1 1 7   7   9  o 125.903 2.7010  2125.75   91.064    2072.26   128.844   2179.14   128.723   124.318 3.8694  127.488 3.7696  -3.169434      5.402056 
1 1 1 7   7   10 o 161.441 3.2703  3498.59   141.362   3611.98   200.096   3385.62   199.736   164.059 4.5536  158.824 4.6951  5.234116       6.540592 
1 1 1 7   7   11 o 189.028 3.7339  4801.08   189.044   4841.75   267.351   4760.41   267.347   189.832 5.2581  188.225 5.3028  1.606552       7.467744 
1 1 1 7   7   12 o 58.969  1.8740  466.203   29.592    478.013   41.869    454.414   41.831    59.716  2.6177  58.222  2.6824  1.494061       3.748003 
1 1 1 7   7   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   7   14 o 137.271 2.9279  2530.67   107.648   2504.55   152.074   2556.90   152.400   136.559 4.1576  137.982 4.1236  -1.423050      5.855732 
1 1 1 7   7   15 o 88.499  2.2307  1050.71   52.877    1040.67   74.666    1060.82   74.893    88.074  3.1651  88.923  3.1444  -0.8496094     4.461489 
1 1 1 7   7   16 o 145.607 3.0882  2849.38   120.434   2807.28   170.089   2891.71   170.551   144.525 4.3938  146.688 4.3408  -2.163620      6.176432 
1 1 1 7   7   17 o 51.935  1.9184  362.702   26.593    358.018   37.464    367.458   37.754    51.596  2.7205  52.275  2.7056  -0.6788406     3.836864 
1 1 1 7   7   18 o 198.954 3.9634  5335.23   211.205   5315.52   298.429   5355.01   298.950   198.584 5.6106  199.323 5.5995  -0.7386932     7.926751 
1 1 1 7   7   19 o 89.594  2.2774  1077.58   54.651    1066.80   77.129    1088.45   77.449    89.143  3.2303  90.045  3.2112  -0.9014282     4.554822 
1 1 1 7   7   20 o 78.113  2.1300  819.207   44.549    789.801   62.744    849.102   63.262    76.696  3.0543  79.529  2.9698  -2.832710      4.260094 
1 1 1 7   7   21 o 126.640 2.8036  2159.83   95.079    2204.85   134.234   2114.50   134.690   127.973 3.9161  125.307 4.0130  2.665886       5.607175 
1 1 1 7   7   22 o 146.145 3.1145  2884.53   121.902   2924.77   172.154   2844.06   172.639   147.177 4.3670  145.112 4.4417  2.065353       6.228917 
1 1 1 7   7   23 o 53.426  3.7374  387.019   53.146    387.019   53.146    0.0000    0.0000    53.426  3.7374  ?       ?       ?              ?        
1 1 1 7   7   24 o 80.871  3.1415  881.910   68.048    881.910   68.048    0.0000    0.0000    80.871  3.1415  ?       ?       ?              ?        
1 1 1 7   7   25 o 73.737  3.0151  734.060   59.550    0.0000    0.0000    734.060   59.550    ?       ?       73.737  3.0151  ?              ?        
1 1 1 7   7   26 o 69.117  2.9631  645.965   54.855    0.0000    0.0000    645.965   54.855    ?       ?       69.117  2.9631  ?              ?        
1 1 1 7   7   27 o 59.089  2.3933  476.891   36.376    470.448   59.757    480.683   45.849    58.590  3.8288  59.589  2.8726  -0.9980812     4.786639 
1 1 1 7   7   28 f 60.215  2.0793  492.444   33.454    468.380   46.952    517.257   47.678    58.669  2.9978  61.762  2.8821  -3.093315      4.158514 
1 1 1 7   7   29 o 75.137  2.2111  768.954   44.494    753.144   62.582    785.115   63.272    74.350  3.1425  75.924  3.1113  -1.574448      4.422172 
1 1 1 7   7   30 o 22.786  2.4102  73.582    13.935    91.272    19.760    56.083    19.654    25.722  2.9199  19.850  3.8354  5.871422       4.820382 
1 1 1 7   7   31 o 37.981  2.0899  198.711   21.075    206.472   29.679    190.818   29.931    38.760  2.8793  37.203  3.0300  1.557564       4.179841 
1 1 1 7   7   32 o 22.991  2.4825  74.948    14.754    67.441    20.630    82.805    21.108    21.731  3.6755  24.251  3.3381  -2.520115      4.965057 
1 1 1 7   7   33 o 11.378  2.9177  15.888    11.510    13.264    16.341    18.472    16.215    10.893  4.1075  11.863  4.1448  -0.9701967     5.835307 
1 1 1 7   7   34 o 15.853  2.9456  37.581    12.672    36.293    17.820    38.900    18.023    15.578  4.1826  16.127  4.1486  -0.5486240     5.891102 
1 1 1 7   7   35 f 13.729  2.9400  27.904    11.993    34.891    16.848    20.728    17.075    15.219  4.0586  12.240  4.2546  2.979223       5.879985 
1 1 1 7   7   36 o 31.169  2.3374  139.732   19.191    146.230   27.069    133.164   27.213    31.968  3.2044  30.371  3.4037  1.596313       4.674797 
1 1 1 7   7   37 o 13.841  3.1370  29.032    13.181    26.973    18.473    31.168    18.814    13.422  4.4273  14.260  4.4454  -0.8378553     6.273944 
1 1 1 7   7   38 o 6.3776  2.1779  -22.1564  11.243    -21.2052  15.693    -23.1591  16.113    6.3866  3.0782  6.3687  3.0818  0.1792717E-01  4.355769 
1 1 1 7   7   39 o 29.889  2.5211  134.400   19.722    123.322   27.638    145.893   28.152    28.492  3.7096  31.286  3.4150  -2.794090      5.042121 
1 1 1 7   8   0  o 415.230 7.7072  23175.37  857.042   23656.65  1211.93   22693.90  1212.15   419.558 10.784  410.901 11.014  8.656708       15.41440 
1 1 1 7   8   1  o 185.273 3.6290  4601.09   180.078   4647.27   254.371   4554.69   254.968   186.206 5.1002  184.340 5.1639  1.865982       7.257930 
1 1 1 7   8   2  o 468.138 8.6221  29496.05  1081.05   29881.72  1528.97   29110.50  1528.71   471.214 12.114  465.063 12.272  6.150177       17.24414 
1 1 1 7   8   3  o 263.815 5.0009  9337.93   353.366   9421.43   499.774   9254.45   499.695   264.996 7.0412  262.634 7.1034  2.362976       10.00181 
1 1 1 7   8   4  o 159.227 3.3296  3398.61   141.990   3457.20   200.992   3340.24   200.616   160.598 4.6725  157.856 4.7448  2.742172       6.659232 
1 1 1 7   8   5  o 461.710 8.5610  28754.01  1058.47   29502.75  1497.73   28006.93  1496.07   467.756 11.954  455.664 12.258  12.09189       17.12203 
1 1 1 7   8   6  o 223.144 4.3037  6682.85   257.226   6704.54   364.020   6661.21   363.526   223.506 6.0806  222.781 6.0921  0.7242737      8.607420 
1 1 1 7   8   7  o 354.015 6.5927  16888.71  625.133   16961.32  884.316   16816.19  883.828   354.780 9.3059  353.250 9.3411  1.529358       13.18543 
1 1 1 7   8   8  o 72.434  1.9769  703.164   38.352    698.278   54.368    708.004   54.110    72.183  2.8120  72.684  2.7794  -0.5015259     3.953789 
1 1 1 7   8   9  o 172.271 3.4277  3984.52   158.160   3949.59   223.771   4019.39   223.573   171.515 4.8709  173.028 4.8241  -1.513184      6.855487 
1 1 1 7   8   10 o 74.519  1.9834  744.376   39.587    753.565   56.159    735.300   55.813    74.976  2.7964  74.061  2.8135  0.9146652      3.966868 
1 1 1 7   8   11 o 182.361 3.6450  4470.44   178.021   4392.17   251.729   4548.75   251.790   180.758 5.1993  183.963 5.1100  -3.205490      7.290043 
1 1 1 7   8   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   8   13 o 73.433  2.0286  723.171   39.900    729.037   56.402    717.295   56.452    73.732  2.8559  73.135  2.8818  0.5970612      4.057221 
1 1 1 7   8   14 o 75.779  2.0585  770.219   41.776    753.513   58.956    787.067   59.204    74.953  2.9366  76.606  2.8854  -1.652641      4.116951 
1 1 1 7   8   15 o 127.728 2.7840  2191.05   95.246    2185.93   134.589   2196.18   134.808   127.578 3.9386  127.877 3.9358  -0.2990952     5.568061 
1 1 1 7   8   16 o 182.896 3.6702  4502.98   179.785   4568.06   254.193   4437.84   254.316   184.225 5.1514  181.567 5.2294  2.658768       7.340499 
1 1 1 7   8   17 o 161.719 3.3628  3518.64   145.660   3490.57   205.760   3546.84   206.228   161.070 4.7693  162.367 4.7420  -1.297241      6.725533 
1 1 1 7   8   18 o 131.544 2.8648  2326.14   100.939   2324.54   142.562   2327.74   142.937   131.499 4.0475  131.589 4.0554  -0.8950806E-01 5.729674 
1 1 1 7   8   19 o 59.460  1.9718  474.543   31.398    486.306   44.457    462.836   44.350    60.197  2.7573  58.724  2.8196  1.473297       3.943686 
1 1 1 7   8   20 o 72.516  2.1043  706.439   40.861    684.661   57.647    728.428   57.925    71.390  3.0147  73.642  2.9367  -2.252289      4.208625 
1 1 1 7   8   21 o 95.686  2.3818  1232.24   61.036    1248.22   86.028    1216.04   86.611    96.315  3.3347  95.057  3.4018  1.258629       4.763633 
1 1 1 7   8   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   8   23 o 33.880  2.7412  155.509   24.663    155.509   24.663    0.0000    0.0000    33.880  2.7412  ?       ?       ?              ?        
1 1 1 7   8   24 o 68.846  2.9290  639.479   54.012    639.479   54.012    0.0000    0.0000    68.846  2.9290  ?       ?       ?              ?        
1 1 1 7   8   25 o 86.185  3.2343  1005.86   74.663    0.0000    0.0000    1005.86   74.663    ?       ?       86.185  3.2343  ?              ?        
1 1 1 7   8   26 o 86.873  3.2752  1024.46   76.211    0.0000    0.0000    1024.46   76.211    ?       ?       86.873  3.2752  ?              ?        
1 1 1 7   8   27 o 10.368  2.6444  12.148    9.4939    8.7263    13.423    15.574    13.430    9.6519  3.7026  11.085  3.7765  -1.432821      5.288766 
1 1 1 7   8   28 o 59.867  2.0754  487.779   33.207    499.683   46.684    475.585   47.246    60.662  2.8732  59.073  2.9958  1.588280       4.150878 
1 1 1 7   8   29 o 34.935  2.0571  167.540   19.013    182.489   26.965    152.760   26.813    36.533  2.7764  33.338  3.0360  3.195210       4.114132 
1 1 1 7   8   30 o 33.655  2.0796  156.030   18.547    160.538   26.103    151.432   26.358    34.169  2.8789  33.141  3.0019  1.027561       4.159298 
1 1 1 7   8   31 o 33.392  3.0900  154.690   27.324    0.0000    0.0000    154.690   27.324    ?       ?       33.392  3.0900  ?              ?        
1 1 1 7   8   32 o 26.752  2.3644  100.769   16.375    83.479    22.546    120.072   23.822    24.195  3.5877  29.309  3.0807  -5.113438      4.728871 
1 1 1 7   8   33 o 11.396  2.8875  16.548    11.204    14.718    15.682    18.457    16.012    11.009  4.0480  11.783  4.1187  -0.7738962     5.774927 
1 1 1 7   8   34 o 20.446  2.7272  61.863    14.369    66.961    20.202    56.643    20.441    21.412  3.6536  19.479  4.0499  1.932629       5.454357 
1 1 1 7   8   35 o 8.3297  2.5775  -1.3905   10.939    0.2728    15.889    -2.8891   15.083    8.6358  3.7368  8.0236  3.5512  0.6121464      5.155076 
1 1 1 7   8   36 o 14.048  2.8500  27.710    12.753    8.2276    17.670    48.894    18.425    10.103  4.1256  17.992  3.9331  -7.888741      5.699945 
1 1 1 7   8   37 o 18.561  3.0154  53.633    14.754    44.587    20.651    63.064    21.087    16.793  4.5000  20.330  4.0149  -3.536936      6.030725 
1 1 1 7   8   38 o 15.903  3.0103  40.106    14.706    15.689    20.900    64.049    20.695    11.454  4.5532  20.351  3.9389  -8.897362      6.020534 
1 1 1 7   9   0  o 68.584  1.9358  630.210   35.557    637.774   50.072    622.516   50.500    69.000  2.7093  68.169  2.7658  0.8307495      3.871654 
1 1 1 7   9   1  o 270.569 5.1577  9827.06   373.616   10166.84  528.270   9487.02   528.475   275.259 7.1651  265.879 7.4208  9.380737       10.31541 
1 1 1 7   9   2  o 263.435 5.0371  9314.78   355.377   9483.26   502.485   9146.18   502.672   265.824 7.0573  261.047 7.1892  4.777374       10.07420 
1 1 1 7   9   3  o 468.079 8.7006  29559.60  1090.75   29981.04  1542.78   29138.40  1542.33   471.439 12.218  464.719 12.391  6.720032       17.40126 
1 1 1 7   9   4  o 228.318 4.4598  6997.56   272.718   6906.77   385.706   7088.31   385.656   226.833 6.3483  229.802 6.2655  -2.968567      8.919537 
1 1 1 7   9   5  o 244.679 4.7665  8043.08   312.364   7945.75   441.933   8140.26   441.567   243.195 6.7844  246.163 6.6971  -2.968704      9.533056 
1 1 1 7   9   6  o 195.012 3.8442  5105.62   200.788   5175.53   284.296   5036.03   283.619   196.347 5.4058  193.678 5.4672  2.669479       7.688489 
1 1 1 7   9   7  o 377.455 7.1034  19271.45  718.090   18966.18  1015.53   19576.71  1015.53   374.436 10.126  380.474 9.9650  -6.038879      14.20680 
1 1 1 7   9   8  o 180.340 3.5909  4368.55   173.432   4452.80   245.539   4284.66   245.002   182.079 5.0347  178.600 5.1215  3.479706       7.181773 
1 1 1 7   9   9  o 172.255 3.4768  3986.37   160.406   3944.77   226.984   4027.88   226.711   171.354 4.9455  173.156 4.8882  -1.801926      6.953609 
1 1 1 7   9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   9   11 o 117.430 3.6657  1851.60   115.207   1948.46   166.565   1762.75   159.519   120.371 5.1662  114.488 5.2019  5.883415       7.331418 
1 1 1 7   9   12 o 24.751  1.8108  83.086    11.818    79.567    16.803    86.531    16.624    24.218  2.6327  25.284  2.4869  -1.066004      3.621541 
1 1 1 7   9   13 o 240.500 4.6727  7806.31   300.924   8019.24   425.730   7593.69   425.412   243.802 6.5194  237.197 6.6959  6.604828       9.345482 
1 1 1 7   9   14 o 157.252 3.2681  3324.48   137.649   3333.34   194.608   3315.61   194.721   157.462 4.6142  157.041 4.6292  0.4214172      6.536102 
1 1 1 7   9   15 o 106.292 2.4722  1516.55   70.381    1504.09   99.479    1529.04   99.590    105.854 3.5086  106.730 3.4837  -0.8760910     4.944353 
1 1 1 7   9   16 o 135.392 2.9182  2463.73   105.813   2508.84   149.611   2418.59   149.674   136.637 4.0880  134.148 4.1656  2.488632       5.836395 
1 1 1 7   9   17 o 159.080 3.3172  3406.45   141.341   3423.95   199.784   3388.91   199.988   159.492 4.6766  158.669 4.7057  0.8230133      6.634352 
1 1 1 7   9   18 o 203.551 4.0633  5599.86   221.482   5456.51   312.843   5743.90   313.606   200.917 5.8133  206.184 5.6786  -5.266724      8.126519 
1 1 1 7   9   19 o 30.374  1.9725  124.913   15.860    129.772   22.561    120.166   22.302    30.968  2.7485  29.780  2.8299  1.187292       3.944902 
1 1 1 7   9   20 o 68.064  2.0876  622.621   38.047    600.771   53.441    645.078   54.178    66.851  2.9846  69.278  2.9197  -2.426880      4.175217 
1 1 1 7   9   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   9   22 o 69.965  2.1032  661.886   39.235    728.520   55.196    593.833   55.781    73.561  2.8014  66.369  3.1378  7.191483       4.206388 
1 1 1 7   9   23 o 45.928  2.6734  285.156   32.745    285.156   32.745    0.0000    0.0000    45.928  2.6734  ?       ?       ?              ?        
1 1 1 7   9   24 o 32.647  2.8078  144.948   24.314    144.948   24.314    0.0000    0.0000    32.647  2.8078  ?       ?       ?              ?        
1 1 1 7   9   25 o 67.393  2.9642  614.889   53.508    0.0000    0.0000    614.889   53.508    ?       ?       67.393  2.9642  ?              ?        
1 1 1 7   9   26 o 24.408  3.0301  82.012    19.384    0.0000    0.0000    82.012    19.384    ?       ?       24.408  3.0301  ?              ?        
1 1 1 7   9   27 o 17.687  2.5787  44.581    11.815    52.262    16.640    36.772    16.779    19.318  3.3366  16.057  3.9326  3.261576       5.157362 
1 1 1 7   9   28 o 34.681  2.0630  165.240   18.921    178.357   26.606    151.820   26.913    36.125  2.7708  33.238  3.0573  2.887287       4.126077 
1 1 1 7   9   29 o 47.589  2.0414  310.369   25.883    314.785   36.163    305.731   37.062    47.959  2.8277  47.220  2.9450  0.7395821      4.082736 
1 1 1 7   9   30 o 38.522  3.0880  205.259   31.594    0.0000    0.0000    205.259   31.594    ?       ?       38.522  3.0880  ?              ?        
1 1 1 7   9   31 o 8.1622  2.3928  -3.4743   9.7184    -18.6416  13.685    11.959    13.804    6.0906  2.9199  10.234  3.7916  -4.143373      4.785632 
1 1 1 7   9   32 o 12.480  2.8438  20.607    11.491    9.4550    16.017    32.436    16.495    10.141  4.0002  14.819  4.0433  -4.678638      5.687697 
1 1 1 7   9   33 o 21.390  2.6239  67.315    14.386    57.314    20.547    76.930    20.147    19.629  4.0428  23.152  3.3460  -3.522736      5.247833 
1 1 1 7   9   34 o 33.574  2.2120  159.972   19.657    157.086   27.369    163.046   28.250    33.272  3.1070  33.876  3.1494  -0.6042252     4.424022 
1 1 1 7   9   35 o 9.7935  2.8177  7.6262    11.615    8.8374    16.355    6.3936    16.499    9.9684  4.0057  9.6186  3.9639  0.3498135      5.635417 
1 1 1 7   9   36 o 26.765  2.5909  105.448   17.927    89.683    24.679    123.059   26.084    24.468  3.8964  29.062  3.4162  -4.593813      5.181885 
1 1 1 7   9   37 o 12.456  3.0906  21.632    13.309    11.243    18.466    32.861    19.199    10.523  4.2465  14.390  4.4915  -3.866665      6.181143 
1 1 1 7   10  0  o 255.734 4.8332  8778.07   331.055   8842.79   467.722   8713.09   468.645   256.681 6.8031  254.786 6.8672  1.894653       9.666429 
1 1 1 7   10  1  o 408.915 7.5771  22529.78  829.898   22468.50  1173.23   22591.14  1174.07   408.356 10.726  409.474 10.705  -1.117889      15.15420 
1 1 1 7   10  2  o 439.735 8.1561  26121.13  959.708   27463.55  1358.07   24782.01  1356.40   451.116 11.239  428.354 11.822  22.76254       16.31218 
1 1 1 7   10  3  f 95.118  2.2998  1212.81   58.578    1244.12   82.789    1181.42   82.894    96.348  3.2081  93.887  3.2963  2.461212       4.599697 
1 1 1 7   10  4  o 204.586 4.0142  5620.48   219.964   5672.86   311.205   5568.18   310.947   205.541 5.6527  203.632 5.7010  1.909866       8.028390 
1 1 1 7   10  5  o 86.019  2.2168  991.848   51.074    998.077   72.425    985.687   72.035    86.287  3.1337  85.750  3.1363  0.5373306      4.433558 
1 1 1 7   10  6  o 109.920 2.5466  1620.40   74.976    1630.72   106.323   1610.19   105.744   110.268 3.5999  109.572 3.6030  0.6964645      5.093234 
1 1 1 7   10  7  o 199.599 3.9496  5356.42   211.146   5298.98   298.836   5413.69   298.375   198.526 5.6199  200.673 5.5512  -2.146774      7.899282 
1 1 1 7   10  8  o 89.767  2.2635  1080.65   54.422    1090.70   77.169    1070.70   76.761    90.182  3.1947  89.351  3.2074  0.8310318      4.526978 
1 1 1 7   10  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   10  10 o 97.025  2.3332  1262.90   60.634    1268.48   85.925    1257.35   85.574    97.239  3.2991  96.811  3.3001  0.4275513      4.666315 
1 1 1 7   10  11 o 38.145  1.7781  195.890   18.064    199.903   25.701    191.973   25.393    38.534  2.5037  37.756  2.5255  0.7772141      3.556237 
1 1 1 7   10  12 o 114.105 2.5758  1747.99   78.692    1809.25   111.514   1687.22   111.061   116.100 3.5860  112.109 3.6986  3.991470       5.151563 
1 1 1 7   10  13 o 112.382 2.5626  1695.40   77.137    1705.64   109.180   1685.20   108.997   112.721 3.6162  112.042 3.6320  0.6786041      5.125224 
1 1 1 7   10  14 o 144.928 3.0751  2823.03   119.372   2831.87   168.859   2814.20   168.775   145.156 4.3431  144.701 4.3546  0.4549255      6.150204 
1 1 1 7   10  15 o 145.529 3.0770  2847.44   119.940   2853.66   169.613   2841.22   169.630   145.688 4.3466  145.369 4.3565  0.3190918      6.154021 
1 1 1 7   10  16 o 167.895 3.3936  3795.92   152.597   3860.60   215.861   3731.30   215.747   169.332 4.7593  166.457 4.8390  2.874756       6.787262 
1 1 1 7   10  17 o 119.299 2.6796  1913.80   85.620    1893.99   120.969   1933.69   121.202   118.678 3.8055  119.920 3.7734  -1.241531      5.359134 
1 1 1 7   10  18 o 75.366  2.1034  763.213   42.445    787.360   60.063    739.124   59.990    76.561  2.9289  74.172  3.0196  2.389198       4.206769 
1 1 1 7   10  19 o 167.885 3.4664  3813.81   155.873   3792.94   220.130   3834.81   220.747   167.422 4.9088  168.348 4.8955  -0.9263916     6.932706 
1 1 1 7   10  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   10  21 o 97.868  2.3991  1292.73   62.888    1285.78   88.589    1299.79   89.289    97.604  3.3886  98.133  3.3970  -0.5285187     4.798162 
1 1 1 7   10  22 o 64.440  2.8588  559.984   49.343    559.984   49.343    0.0000    0.0000    64.440  2.8588  ?       ?       ?              ?        
1 1 1 7   10  23 o 67.973  2.9228  624.253   53.213    624.253   53.213    0.0000    0.0000    67.973  2.9228  ?       ?       ?              ?        
1 1 1 7   10  24 o 24.621  5.0956  86.617    32.497    86.617    32.497    0.0000    0.0000    24.621  5.0956  ?       ?       ?              ?        
1 1 1 7   10  25 o 42.133  2.8214  241.416   31.657    0.0000    0.0000    241.416   31.657    ?       ?       42.133  2.8214  ?              ?        
1 1 1 7   10  26 o 68.071  2.5667  642.072   44.550    608.723   73.805    661.188   55.878    66.377  4.1724  69.765  2.9903  -3.387711      5.133352 
1 1 1 7   10  27 o 51.930  2.0469  367.971   28.356    369.775   39.881    366.127   40.325    52.067  2.8707  51.793  2.9187  0.2739906      4.093877 
1 1 1 7   10  28 f 59.376  2.1056  482.847   33.370    507.939   46.922    457.168   47.469    61.019  2.8709  57.732  3.0809  3.286255       4.211168 
1 1 1 7   10  29 o 12.836  4.1480  22.690    16.253    0.0000    0.0000    22.690    16.253    ?       ?       12.836  4.1480  ?              ?        
1 1 1 7   10  30 o 10.987  2.5466  9.0007    10.849    32.348    15.698    -12.3460  15.010    14.901  3.8910  7.0721  3.2866  7.829397       5.093279 
1 1 1 7   10  31 o 24.490  2.3901  85.251    15.248    81.064    21.312    89.641    21.824    23.842  3.4365  25.139  3.3226  -1.297201      4.780124 
1 1 1 7   10  32 f 28.263  2.3916  114.942   17.437    134.826   24.551    94.701    24.770    30.962  2.9979  25.564  3.7272  5.397615       4.783236 
1 1 1 7   10  33 o 26.984  2.3903  104.634   16.880    100.050   23.856    109.231   23.889    26.339  3.4656  27.629  3.2930  -1.289511      4.780622 
1 1 1 7   10  34 o 24.787  2.5950  90.034    16.397    70.212    22.674    111.763   23.740    21.647  4.0596  27.926  3.2335  -6.279102      5.189991 
1 1 1 7   10  35 o 45.661  2.2409  297.807   27.159    270.207   37.809    327.228   39.037    43.368  3.2792  47.954  3.0551  -4.586639      4.481830 
1 1 1 7   10  36 o 12.902  4.4729  24.908    18.866    0.0000    0.0000    24.908    18.866    ?       ?       12.902  4.4729  ?              ?        
1 1 1 7   11  0  o 26.320  1.7790  94.083    12.260    79.251    17.224    109.314   17.454    24.169  2.7072  28.471  2.3087  -4.302059      3.557950 
1 1 1 7   11  1  o 371.911 6.9932  18664.47  696.617   18526.12  984.616   18803.12  985.716   370.522 9.9212  373.299 9.8584  -2.777557      13.98634 
1 1 1 7   11  2  o 246.409 4.6920  8163.23   309.650   8029.44   437.493   8297.54   438.329   244.379 6.6837  248.439 6.5870  -4.060226      9.384100 
1 1 1 7   11  3  o 288.631 5.4724  11223.74  423.038   11380.99  598.276   11066.50  598.255   290.665 7.6846  286.597 7.7934  4.067932       10.94483 
1 1 1 7   11  4  o 132.642 2.8819  2360.61   102.384   2383.97   144.827   2337.27   144.760   133.299 4.0563  131.984 4.0948  1.314392       5.763810 
1 1 1 7   11  5  o 177.985 3.5555  4255.97   169.488   4195.29   239.811   4316.53   239.574   176.713 5.0665  179.257 4.9897  -2.543900      7.111047 
1 1 1 7   11  6  o 118.646 2.6273  1888.77   83.490    1877.25   118.254   1900.21   117.892   118.284 3.7325  119.007 3.6985  -0.7229843     5.254531 
1 1 1 7   11  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   11  8  o 134.243 2.8941  2419.66   104.055   2456.66   147.462   2382.96   146.852   135.268 4.0700  133.219 4.1155  2.048233       5.788135 
1 1 1 7   11  9  o 159.007 3.3080  3398.58   140.856   3319.35   199.344   3477.58   199.059   157.149 4.7359  160.865 4.6199  -3.716019      6.616024 
1 1 1 7   11  10 o 95.705  2.3334  1229.07   59.808    1211.16   84.798    1246.81   84.367    95.009  3.3322  96.400  3.2674  -1.391388      4.666857 
1 1 1 7   11  11 o 171.133 3.4717  3938.71   159.133   3924.26   225.217   3953.11   224.880   170.818 4.9224  171.448 4.8970  -0.6304779     6.943379 
1 1 1 7   11  12 o 225.350 4.4323  6849.22   267.531   6885.97   378.524   6812.54   378.167   225.957 6.2543  224.742 6.2822  1.214920       8.864633 
1 1 1 7   11  13 o 202.547 3.9889  5527.87   216.402   5556.50   306.197   5499.31   305.882   203.073 5.6294  202.020 5.6529  1.052856       7.977769 
1 1 1 7   11  14 o 128.154 2.8101  2206.90   96.459    2192.49   136.411   2221.30   136.416   127.734 3.9871  128.573 3.9612  -0.8391495     5.620294 
1 1 1 7   11  15 o 136.973 2.9550  2523.45   108.411   2505.76   153.352   2541.12   153.282   136.491 4.1946  137.455 4.1633  -0.9638672     5.910024 
1 1 1 7   11  16 o 138.541 2.9499  2583.78   109.462   2564.35   154.778   2603.23   154.826   138.018 4.1868  139.065 4.1566  -1.047333      5.899726 
1 1 1 7   11  17 o 106.961 2.5501  1539.45   73.058    1552.97   103.342   1525.94   103.297   107.433 3.5913  106.490 3.6215  0.9432678      5.100262 
1 1 1 7   11  18 o 81.884  2.2043  902.062   48.324    870.210   68.264    934.056   68.417    80.429  3.1688  83.339  3.0649  -2.910217      4.408506 
1 1 1 7   11  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   11  20 o 71.373  2.1265  687.046   40.610    722.125   57.361    651.794   57.501    73.213  2.9251  69.533  3.0874  3.680046       4.253043 
1 1 1 7   11  21 o 58.139  2.0061  457.002   31.109    492.554   44.054    421.642   43.936    60.453  2.7207  55.825  2.9488  4.627563       4.012197 
1 1 1 7   11  22 o 34.032  2.7628  157.346   24.967    157.346   24.967    0.0000    0.0000    34.032  2.7628  ?       ?       ?              ?        
1 1 1 7   11  23 o 37.662  2.7855  192.771   27.900    192.771   27.900    0.0000    0.0000    37.662  2.7855  ?       ?       ?              ?        
1 1 1 7   11  24 o 71.691  3.0396  697.082   58.367    0.0000    0.0000    697.082   58.367    ?       ?       71.691  3.0396  ?              ?        
1 1 1 7   11  25 o 45.574  2.8857  282.922   35.045    0.0000    0.0000    282.922   35.045    ?       ?       45.574  2.8857  ?              ?        
1 1 1 7   11  26 o 80.623  2.2965  888.629   49.427    800.392   69.446    979.215   70.363    76.493  3.3895  84.753  3.0996  -8.260201      4.593043 
1 1 1 7   11  27 o 22.038  2.4322  68.204    13.887    68.471    19.707    67.941    19.574    22.080  3.4446  21.995  3.4347  0.8462334E-01  4.864373 
1 1 1 7   11  28 f 36.203  3.0168  186.174   25.122    185.674   48.456    186.358   29.379    35.660  5.2284  36.746  3.0114  -1.085316      6.033632 
1 1 1 7   11  29 o 15.837  2.9089  36.751    12.473    39.501    17.454    33.881    17.831    16.444  4.0008  15.229  4.2237  1.214858       5.817717 
1 1 1 7   11  30 o 21.059  2.6053  64.032    14.126    56.823    19.727    71.619    20.236    19.741  3.8690  22.377  3.4903  -2.635263      5.210674 
1 1 1 7   11  31 o 15.544  2.9265  35.668    12.512    43.967    18.365    28.480    17.092    17.178  4.0564  13.911  4.2194  3.266597       5.853024 
1 1 1 7   11  32 o 21.320  2.7579  67.827    15.000    49.167    20.994    87.288    21.439    17.975  4.3967  24.664  3.3305  -6.688505      5.515711 
1 1 1 7   11  33 o 32.111  2.3244  147.478   19.689    155.070   27.967    140.018   27.722    32.987  3.2059  31.236  3.3666  1.750238       4.648829 
1 1 1 7   11  34 o 31.744  2.3786  145.225   19.876    134.218   27.511    157.245   28.749    30.429  3.4356  33.059  3.2904  -2.630219      4.757133 
1 1 1 7   11  35 o 20.586  4.2540  65.780    22.681    0.0000    0.0000    65.780    22.681    ?       ?       20.586  4.2540  ?              ?        
1 1 1 7   12  0  o 171.466 3.4254  3946.87   157.259   3809.75   221.758   4085.58   223.044   168.464 4.9146  174.468 4.7729  -6.003616      6.850825 
1 1 1 7   12  1  o 202.051 3.9686  5485.74   214.773   5507.54   303.325   5463.83   304.145   202.455 5.5936  201.646 5.6312  0.8095703      7.937176 
1 1 1 7   12  2  o 184.239 3.6771  4560.14   181.456   4561.00   256.311   4559.27   256.925   184.257 5.1934  184.221 5.2069  0.3636169E-01  7.354137 
1 1 1 7   12  3  o 179.063 3.5767  4308.75   171.475   4163.17   242.213   4455.03   242.792   176.021 5.1374  182.105 4.9776  -6.083801      7.153307 
1 1 1 7   12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   12  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   12  6  o 85.178  2.1820  973.141   49.776    960.854   70.552    985.320   70.238    84.641  3.1120  85.714  3.0594  -1.072922      4.363965 
1 1 1 7   12  7  o 303.306 5.8072  12452.28  471.757   12340.00  667.409   12564.39  666.921   301.924 8.2529  304.688 8.1720  -2.764313      11.61431 
1 1 1 7   12  8  o 192.691 3.8132  4996.43   196.806   5003.19   278.636   4989.69   278.017   192.820 5.3950  192.561 5.3903  0.2593994      7.626400 
1 1 1 7   12  9  o 37.376  1.8482  188.392   18.367    181.548   26.197    195.008   25.757    36.698  2.6837  38.053  2.5417  -1.355125      3.696313 
1 1 1 7   12  10 o 237.726 4.6544  7626.22   296.346   7742.32   419.486   7510.54   418.708   239.544 6.5380  235.908 6.6264  3.636749       9.308845 
1 1 1 7   12  11 o 189.885 3.8333  4855.52   194.900   5004.88   276.055   4707.07   275.208   192.811 5.3453  186.959 5.4957  5.852310       7.666515 
1 1 1 7   12  12 o 144.678 3.0473  2813.59   118.086   2838.53   167.221   2788.78   166.776   145.319 4.2962  144.037 4.3229  1.282303       6.094601 
1 1 1 7   12  13 o 144.050 3.0641  2790.88   118.210   2741.51   167.268   2840.13   167.079   142.772 4.3740  145.328 4.2922  -2.556564      6.128254 
1 1 1 7   12  14 o 117.753 2.6360  1864.12   83.111    1808.82   117.574   1919.35   117.499   116.001 3.7841  119.506 3.6708  -3.504745      5.271987 
1 1 1 7   12  15 o 59.976  1.9903  482.926   31.950    507.763   45.492    458.750   44.883    61.500  2.7617  58.452  2.8668  3.048939       3.980617 
1 1 1 7   12  16 o 150.214 3.1867  3045.70   128.192   3116.90   181.398   2974.66   181.183   151.981 4.4561  148.447 4.5568  3.533722       6.373456 
1 1 1 7   12  17 o 43.262  3.7693  254.199   43.241    254.199   43.241    0.0000    0.0000    43.262  3.7693  ?       ?       ?              ?        
1 1 1 7   12  18 o 100.549 2.4476  1363.44   65.916    1350.31   93.205    1376.58   93.233    100.062 3.4776  101.037 3.4451  -0.9750977     4.895128 
1 1 1 7   12  19 o 11.408  2.5769  17.132    8.8772    18.654    13.029    15.813    12.128    11.806  3.7025  11.011  3.5850  0.7943420      5.153748 
1 1 1 7   12  20 o 70.476  2.0982  670.494   39.596    688.570   55.990    652.408   56.005    71.434  2.9263  69.518  3.0077  1.915779       4.196357 
1 1 1 7   12  21 o 47.088  2.0035  300.862   25.067    331.236   35.688    271.288   35.215    49.470  2.7036  44.707  2.9576  4.763222       4.007090 
1 1 1 7   12  22 o 58.040  2.8579  455.625   44.428    455.625   44.428    0.0000    0.0000    58.040  2.8579  ?       ?       ?              ?        
1 1 1 7   12  23 o 37.200  2.8013  188.361   27.707    188.361   27.707    0.0000    0.0000    37.200  2.8013  ?       ?       ?              ?        
1 1 1 7   12  24 o 48.332  2.8159  317.806   36.295    0.0000    0.0000    317.806   36.295    ?       ?       48.332  2.8159  ?              ?        
1 1 1 7   12  25 o 24.349  3.2327  82.263    20.561    0.0000    0.0000    82.263    20.561    ?       ?       24.349  3.2327  ?              ?        
1 1 1 7   12  26 o 32.072  2.1403  142.404   17.990    163.413   25.480    121.524   25.402    34.531  2.7784  29.612  3.2565  4.919498       4.280684 
1 1 1 7   12  27 o 12.574  2.8669  21.154    11.261    14.149    15.767    28.449    16.090    11.058  4.0600  14.090  4.0487  -3.031937      5.733759 
1 1 1 7   12  28 o 11.121  2.7454  12.897    10.931    26.491    16.002    1.0022    14.968    13.597  4.0734  8.6460  3.6819  4.950959       5.490793 
1 1 1 7   12  29 o 8.2456  2.4915  -0.5412   9.9686    -6.5623   13.973    5.7001    14.226    7.3467  3.3217  9.1445  3.7143  -1.797750      4.982929 
1 1 1 7   12  30 o 23.580  2.5416  80.604    15.395    92.422    21.732    68.697    21.813    25.502  3.2558  21.659  3.9037  3.843111       5.083261 
1 1 1 7   12  31 o 22.031  2.6377  70.951    14.999    66.989    21.066    75.026    21.362    21.349  3.8243  22.713  3.6339  -1.363834      5.275482 
1 1 1 7   12  32 o 28.891  2.4165  120.021   18.320    125.872   26.041    114.288   25.777    29.640  3.3382  28.142  3.4950  1.497753       4.833071 
1 1 1 7   12  33 o 21.538  2.8479  69.692    15.813    63.897    22.137    75.731    22.597    20.522  4.1695  22.554  3.8805  -2.032120      5.695821 
1 1 1 7   12  34 o 16.685  4.5382  44.135    20.819    0.0000    0.0000    44.135    20.819    ?       ?       16.685  4.5382  ?              ?        
1 1 1 7   13  0  o 71.849  1.9830  691.966   38.152    670.511   53.678    713.871   54.238    70.722  2.8337  72.975  2.7749  -2.252403      3.966056 
1 1 1 7   13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   13  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   13  3  o 68.086  1.9669  621.517   35.869    619.354   50.599    623.702   50.855    67.967  2.7794  68.205  2.7837  -0.2380676     3.933754 
1 1 1 7   13  4  o 248.179 4.7806  8305.88   317.783   8335.91   449.390   8275.84   449.435   248.631 6.7481  247.727 6.7734  0.9038391      9.561107 
1 1 1 7   13  5  o 121.422 2.7133  1979.12   88.241    1960.54   124.856   1997.67   124.726   120.851 3.8572  121.993 3.8171  -1.141998      5.426630 
1 1 1 7   13  6  o 218.558 4.2802  6435.84   250.539   6553.37   354.688   6318.81   353.944   220.560 6.0039  216.556 6.1020  4.004135       8.560441 
1 1 1 7   13  7  o 253.716 4.8882  8690.42   332.173   8797.72   470.255   8583.57   469.273   255.289 6.8772  252.143 6.9485  3.146927       9.776367 
1 1 1 7   13  8  o 130.508 2.8456  2287.36   99.461    2334.10   141.104   2241.21   140.219   131.836 3.9959  129.181 4.0525  2.655167       5.691199 
1 1 1 7   13  9  o 132.836 2.8947  2370.46   102.984   2337.72   145.922   2402.95   145.362   131.919 4.1298  133.754 4.0575  -1.834930      5.789491 
1 1 1 7   13  10 o 136.439 2.9556  2501.68   107.962   2598.13   153.162   2406.43   152.206   139.060 4.1120  133.818 4.2465  5.242737       5.911146 
1 1 1 7   13  11 o 112.741 2.5618  1706.90   77.361    1716.16   109.656   1697.73   109.155   113.046 3.6215  112.437 3.6245  0.6089554      5.123698 
1 1 1 7   13  12 o 73.825  2.0897  731.583   41.311    718.849   58.685    744.091   58.164    73.186  2.9938  74.463  2.9162  -1.277931      4.179336 
1 1 1 7   13  13 o 106.014 2.4762  1510.41   70.311    1507.43   99.613    1513.36   99.258    105.909 3.5115  106.119 3.4921  -0.2102890     4.952305 
1 1 1 7   13  14 o 101.308 2.4568  1380.23   66.647    1424.15   94.550    1336.86   93.958    102.915 3.4300  99.701  3.5184  3.214165       4.913655 
1 1 1 7   13  15 o 57.069  2.0043  438.119   30.579    449.926   43.463    426.546   43.031    57.868  2.8041  56.269  2.8646  1.599678       4.008579 
1 1 1 7   13  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   13  17 o 109.880 2.5827  1630.60   75.988    1582.72   107.454   1678.51   107.471   108.253 3.7059  111.508 3.5983  -3.254555      5.165425 
1 1 1 7   13  18 o 82.218  2.2360  912.217   49.231    935.982   69.798    888.690   69.448    83.290  3.1287  81.146  3.1953  2.144341       4.471940 
1 1 1 7   13  19 o 28.659  2.0509  112.228   15.350    132.249   22.040    93.369    21.390    31.212  2.6618  26.107  3.1208  5.104876       4.101728 
1 1 1 7   13  20 o 22.530  2.1933  69.966    12.873    69.063    18.517    70.812    17.908    22.371  3.1797  22.689  3.0218  -0.3180351     4.386551 
1 1 1 7   13  21 o 33.526  2.8591  153.109   25.429    153.109   25.429    0.0000    0.0000    33.526  2.8591  ?       ?       ?              ?        
1 1 1 7   13  22 o 8.4987  3.4371  4.3210    12.125    4.3210    12.125    0.0000    0.0000    8.4987  3.4371  ?       ?       ?              ?        
1 1 1 7   13  23 o 32.748  4.7853  151.612   40.735    151.612   40.735    0.0000    0.0000    32.748  4.7853  ?       ?       ?              ?        
1 1 1 7   13  24 o 18.780  3.5577  49.845    17.241    0.0000    0.0000    49.845    17.241    ?       ?       18.780  3.5577  ?              ?        
1 1 1 7   13  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   13  26 o 55.632  2.1092  425.290   31.287    402.596   43.848    448.828   44.656    54.090  3.0388  57.175  2.9258  -3.084953      4.218388 
1 1 1 7   13  27 o 26.126  2.4194  96.599    16.257    115.880   23.289    78.278    22.703    28.843  3.0614  23.408  3.7473  5.434599       4.838820 
1 1 1 7   13  28 o 27.937  2.3307  110.138   17.092    114.324   24.193    105.968   24.151    28.503  3.2257  27.372  3.3649  1.130764       4.661362 
1 1 1 7   13  29 o 20.566  2.7567  62.090    14.606    70.319    20.846    54.153    20.472    22.036  3.6602  19.097  4.1231  2.939325       5.513336 
1 1 1 7   13  30 o 8.1607  2.5055  -1.4707   10.322    3.6244    14.548    -6.6346   14.646    8.8269  3.6869  7.4944  3.3935  1.332539       5.010942 
1 1 1 7   13  31 f 24.657  2.5784  88.583    16.487    84.562    23.548    92.450    23.090    24.025  3.7846  25.289  3.5029  -1.263653      5.156868 
1 1 1 7   13  32 o 17.432  3.0947  46.639    14.477    53.380    20.954    40.482    20.025    18.680  4.2798  16.185  4.4712  2.495768       6.189346 
1 1 1 7   13  33 o 28.531  3.2548  137.267   21.898    85.001    34.552    172.352   28.309    22.404  5.7339  34.658  3.0817  -12.25455      6.509581 
1 1 1 7   14  0  o 146.205 3.0505  2870.43   119.457   2871.28   168.428   2869.56   169.451   146.228 4.3003  146.182 4.3277  0.4620361E-01  6.100946 
1 1 1 7   14  1  o 135.760 2.8677  2474.42   104.246   2395.82   146.876   2554.21   147.983   133.583 4.1050  137.937 4.0054  -4.353317      5.735304 
1 1 1 7   14  2  o 145.012 3.0300  2824.27   117.671   2758.69   166.025   2890.46   166.800   143.316 4.3250  146.707 4.2448  -3.390793      6.060039 
1 1 1 7   14  3  o 186.415 3.8042  4680.52   189.617   5000.32   268.265   4361.23   268.052   192.814 5.1944  180.015 5.5593  12.79889       7.608416 
1 1 1 7   14  4  o 124.713 2.7329  2088.10   91.287    2062.00   128.997   2114.28   129.201   123.931 3.8861  125.495 3.8437  -1.564316      5.465870 
1 1 1 7   14  5  o 218.153 4.2880  6413.31   250.526   6300.10   354.297   6526.53   354.299   216.215 6.1177  220.090 6.0101  -3.875061      8.576001 
1 1 1 7   14  6  o 64.025  2.0460  549.657   35.060    579.548   50.018    520.784   49.158    65.738  2.8407  62.313  2.9453  3.425041       4.091935 
1 1 1 7   14  7  o 151.738 3.2069  3094.80   130.334   3075.07   184.626   3114.39   184.017   151.253 4.5572  152.222 4.5132  -0.9691925     6.413854 
1 1 1 7   14  8  o 135.941 2.9388  2482.80   106.999   2522.83   151.773   2443.25   150.870   137.032 4.1351  134.849 4.1770  2.182755       5.877604 
1 1 1 7   14  9  f 121.802 2.6996  1992.78   88.069    1985.50   124.904   1999.97   124.196   121.579 3.8356  122.025 3.7999  -0.4457932     5.399143 
1 1 1 7   14  10 o 54.942  1.9801  406.057   29.042    403.375   41.181    408.711   40.964    54.760  2.8172  55.125  2.7834  -0.3648491     3.960257 
1 1 1 7   14  11 o 141.631 3.0246  2700.09   114.700   2623.06   162.402   2776.75   162.020   139.605 4.3431  143.658 4.2107  -4.052765      6.049160 
1 1 1 7   14  12 o 101.593 2.4720  1387.51   67.262    1410.32   95.410    1364.97   94.837    102.425 3.4777  100.761 3.5140  1.664223       4.943935 
1 1 1 7   14  13 o 98.917  2.4052  1316.46   63.700    1278.70   90.293    1353.88   89.880    97.497  3.4576  100.337 3.3444  -2.839706      4.810405 
1 1 1 7   14  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   14  15 o 84.666  2.2443  965.242   50.892    978.027   72.160    952.590   71.786    85.225  3.1611  84.106  3.1866  1.119255       4.488514 
1 1 1 7   14  16 o 59.975  1.9954  484.320   32.053    480.426   45.489    488.159   45.172    59.733  2.8431  60.217  2.8007  -0.4836197     3.990882 
1 1 1 7   14  17 o 123.321 2.7845  2062.51   91.946    2127.67   130.279   1997.84   129.785   125.284 3.8823  121.359 3.9927  3.924446       5.569001 
1 1 1 7   14  18 o 67.142  2.0679  608.688   37.189    611.454   52.653    605.934   52.534    67.295  2.9212  66.989  2.9279  0.3057022      4.135888 
1 1 1 7   14  19 o 27.072  2.0550  100.019   14.643    107.680   21.134    92.944    20.309    28.089  2.8484  26.054  2.9628  2.034758       4.109959 
1 1 1 7   14  20 o 53.301  2.0200  385.512   28.719    371.428   40.559    399.673   40.670    52.310  2.9063  54.292  2.8063  -1.982380      4.040001 
1 1 1 7   14  21 o 32.628  2.8642  145.296   24.779    145.296   24.779    0.0000    0.0000    32.628  2.8642  ?       ?       ?              ?        
1 1 1 7   14  22 o 22.671  3.3376  71.492    19.661    71.492    19.661    0.0000    0.0000    22.671  3.3376  ?       ?       ?              ?        
1 1 1 7   14  23 o 18.389  3.7722  48.106    17.956    0.0000    0.0000    48.106    17.956    ?       ?       18.389  3.7722  ?              ?        
1 1 1 7   14  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   14  25 o 67.951  2.2066  634.812   40.121    600.893   56.610    669.043   56.871    66.083  3.1983  69.819  3.0411  -3.736290      4.413288 
1 1 1 7   14  26 o 20.077  2.7540  59.439    14.205    37.778    19.949    81.721    20.233    16.036  4.4746  24.118  3.2119  -8.082441      5.507989 
1 1 1 7   14  27 o 37.126  2.1615  192.248   21.302    192.222   30.253    192.273   30.000    37.116  3.0706  37.135  3.0428  -0.1852798E-01 4.322911 
1 1 1 7   14  28 o 24.390  2.5751  87.132    15.904    67.468    22.774    105.855   22.221    21.374  4.1273  27.406  3.0805  -6.032167      5.150141 
1 1 1 7   14  29 o 19.850  2.8080  58.627    14.395    50.006    20.424    67.138    20.293    18.229  4.2597  21.472  3.6597  -3.243212      5.615940 
1 1 1 7   14  30 o 23.853  2.6443  83.197    16.263    93.115    23.205    73.621    22.800    25.393  3.5052  22.313  3.9601  3.080536       5.288538 
1 1 1 7   14  31 o 20.054  2.9797  60.928    15.491    64.891    22.401    57.296    21.446    20.710  4.1823  19.398  4.2454  1.311293       5.959440 
1 1 1 7   14  32 o 18.865  3.0539  55.820    15.295    41.666    21.662    69.893    21.600    16.195  4.7107  21.535  3.8878  -5.340494      6.107795 
1 1 1 7   15  0  o 274.974 5.2744  10216.30  388.440   10339.58  548.794   10092.53  549.882   276.654 7.4060  273.295 7.5119  3.359222       10.54880 
1 1 1 7   15  1  o 56.541  1.8754  428.666   28.366    400.944   39.821    457.222   40.416    54.683  2.7188  58.398  2.5839  -3.715172      3.750749 
1 1 1 7   15  2  o 89.121  2.2341  1065.45   53.316    1032.26   75.088    1099.20   75.715    87.720  3.1958  90.523  3.1227  -2.802780      4.468198 
1 1 1 7   15  3  o 155.850 3.2484  3264.73   135.588   3313.99   191.534   3215.24   191.968   157.033 4.5537  154.666 4.6339  2.366943       6.496865 
1 1 1 7   15  4  o 124.095 2.7647  2068.03   91.867    2003.88   129.691   2132.64   130.151   122.159 3.9636  126.031 3.8555  -3.872520      5.529496 
1 1 1 7   15  5  o 191.812 3.8383  4953.31   197.173   4860.89   278.794   5045.80   278.895   190.012 5.4779  193.611 5.3780  -3.598816      7.676603 
1 1 1 7   15  6  o 96.239  2.3963  1243.21   61.762    1220.59   87.443    1265.74   87.247    95.364  3.4234  97.115  3.3541  -1.751770      4.792634 
1 1 1 7   15  7  o 105.094 2.4366  1482.64   68.584    1504.69   97.284    1460.85   96.703    105.872 3.4306  104.316 3.4610  1.555824       4.873138 
1 1 1 7   15  8  o 84.569  2.2393  960.248   50.705    934.518   71.896    985.710   71.522    83.438  3.2170  85.699  3.1158  -2.260971      4.478546 
1 1 1 7   15  9  o 188.249 3.7443  4779.75   188.793   4764.75   267.366   4794.66   266.622   187.950 5.3110  188.547 5.2794  -0.5968628     7.488582 
1 1 1 7   15  10 o 23.178  2.3642  76.154    13.548    49.550    19.206    102.504   19.115    18.844  3.9324  27.513  2.6257  -8.668972      4.728437 
1 1 1 7   15  11 o 106.794 2.5517  1534.34   72.989    1535.80   103.544   1532.89   102.902   106.843 3.6182  106.744 3.5991  0.9870911E-01  5.103389 
1 1 1 7   15  12 o 60.680  2.0443  494.830   33.223    504.300   47.106    485.457   46.864    61.260  2.8709  60.101  2.9112  1.158264       4.088613 
1 1 1 7   15  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   15  14 o 95.279  2.3914  1224.06   61.024    1245.52   86.623    1202.92   85.982    96.111  3.3649  94.447  3.3989  1.664261       4.782759 
1 1 1 7   15  15 o 30.828  1.9802  129.064   16.165    128.227   23.179    129.856   22.554    30.723  2.8492  30.934  2.7508  -0.2106628     3.960395 
1 1 1 7   15  16 o 27.992  2.0577  106.923   15.184    103.135   21.685    110.566   21.268    27.485  2.9941  28.498  2.8235  -1.012644      4.115364 
1 1 1 7   15  17 o 79.040  2.2243  845.211   47.078    826.668   66.716    863.601   66.442    78.166  3.1866  79.914  3.1040  -1.747765      4.448529 
1 1 1 7   15  18 o 42.611  1.9612  246.292   22.260    248.365   31.776    244.296   31.193    42.785  2.7880  42.438  2.7592  0.3476830      3.922474 
1 1 1 7   15  19 o 86.259  2.3186  1010.38   53.559    987.951   75.811    1032.73   75.677    85.289  3.3186  87.230  3.2390  -1.940376      4.637256 
1 1 1 7   15  20 o 38.920  2.0082  206.431   20.748    222.192   29.485    190.972   29.201    40.422  2.7394  37.417  2.9373  3.004955       4.016490 
1 1 1 7   15  21 o 47.670  2.9238  309.792   37.151    309.792   37.151    0.0000    0.0000    47.670  2.9238  ?       ?       ?              ?        
1 1 1 7   15  22 o 30.042  5.2507  130.490   40.712    130.490   40.712    0.0000    0.0000    30.042  5.2507  ?       ?       ?              ?        
1 1 1 7   15  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   15  24 o 14.765  2.8508  20.904    13.306    62.108    22.717    -0.6155   16.417    20.694  4.2408  8.8362  3.8110  11.85797       5.701593 
1 1 1 7   15  25 o 22.435  2.6831  75.249    14.953    46.720    21.468    102.132   20.839    17.770  4.5043  27.101  2.9167  -9.330954      5.366209 
1 1 1 7   15  26 o 18.046  2.8872  47.985    13.679    55.963    19.594    40.400    19.105    19.595  3.8706  16.497  4.2852  3.097914       5.774475 
1 1 1 7   15  27 f 19.148  2.8040  54.039    13.907    55.936    19.779    52.183    19.559    19.505  3.9220  18.790  4.0084  0.7141819      5.607934 
1 1 1 7   15  28 o 22.123  2.8223  72.873    15.866    97.448    22.852    50.002    22.046    26.119  3.3432  18.127  4.5481  7.992109       5.644615 
1 1 1 7   15  29 o 8.3457  2.5899  -2.2823   11.160    1.1094    16.059    -5.4495   15.519    8.8242  3.7871  7.8672  3.5339  0.9570565      5.179806 
1 1 1 7   15  30 o 25.729  2.9970  98.248    19.705    91.859    25.683    107.391   30.723    24.858  3.9924  26.600  4.4707  -1.741507      5.993919 
1 1 1 7   15  31 o 43.415  2.2980  271.486   26.472    292.508   37.733    251.110   37.149    45.180  3.1375  41.651  3.3585  3.529442       4.596066 
1 1 1 7   16  0  o 117.658 2.6364  1858.24   83.083    1849.49   117.001   1867.15   118.001   117.379 3.7214  117.937 3.7355  -0.5579834     5.272823 
1 1 1 7   16  1  f 268.036 5.1155  9707.09   367.258   9679.38   518.753   9734.95   520.011   267.652 7.2360  268.421 7.2328  -0.7682190     10.23103 
1 1 1 7   16  2  o 39.544  1.8882  210.778   19.854    197.878   28.014    223.796   28.142    38.315  2.7479  40.773  2.5903  -2.457481      3.776350 
1 1 1 7   16  3  o 81.488  2.1905  890.936   47.806    902.300   67.439    879.456   67.779    82.012  3.0700  80.965  3.1254  1.047310       4.381013 
1 1 1 7   16  4  f 137.717 2.9556  2548.93   108.971   2453.19   153.807   2645.43   154.412   135.112 4.2501  140.322 4.1084  -5.209778      5.911136 
1 1 1 7   16  5  o 99.804  2.4366  1337.57   65.108    1292.36   92.040    1382.85   92.113    98.111  3.5024  101.496 3.3883  -3.384987      4.873161 
1 1 1 7   16  6  o 120.857 2.7241  1962.66   88.182    1961.72   124.810   1963.60   124.606   120.827 3.8565  120.886 3.8484  -0.5860138E-01 5.448159 
1 1 1 7   16  7  o 155.443 3.2624  3253.98   135.800   3179.52   192.220   3328.18   191.880   153.658 4.6704  157.229 4.5563  -3.571854      6.524750 
1 1 1 7   16  8  o 67.064  2.0515  603.974   36.842    592.931   52.344    614.816   51.865    66.454  2.9408  67.674  2.8613  -1.219856      4.103071 
1 1 1 7   16  9  o 84.450  2.2842  958.504   51.666    960.178   73.343    956.854   72.794    84.522  3.2397  84.378  3.2209  0.1446686      4.568354 
1 1 1 7   16  10 o 100.699 2.4658  1364.59   66.507    1371.04   94.283    1358.19   93.830    100.936 3.4874  100.462 3.4870  0.4741440      4.931609 
1 1 1 7   16  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   16  12 o 63.048  2.0438  534.781   34.511    546.548   49.084    523.277   48.532    63.735  2.8752  62.361  2.9055  1.374714       4.087686 
1 1 1 7   16  13 o 24.233  2.1128  80.101    13.403    85.847    19.468    74.925    18.479    25.074  2.9555  23.391  3.0200  1.683416       4.225593 
1 1 1 7   16  14 o 39.608  1.9440  212.275   20.460    228.921   29.296    196.427   28.586    41.141  2.6730  38.074  2.8233  3.067585       3.887908 
1 1 1 7   16  15 o 42.508  1.9846  245.235   22.426    231.712   32.013    258.267   31.426    41.332  2.9103  43.684  2.6990  -2.351856      3.969177 
1 1 1 7   16  16 o 48.553  1.9663  319.271   25.462    323.604   36.319    315.083   35.706    48.877  2.7858  48.229  2.7758  0.6478615      3.932616 
1 1 1 7   16  17 o 48.413  2.0067  318.060   25.830    349.635   36.911    287.756   36.160    50.801  2.7225  46.025  2.9487  4.775913       4.013397 
1 1 1 7   16  18 o 61.478  2.0863  512.746   34.265    540.263   48.680    485.725   48.239    63.168  2.8772  59.788  3.0221  3.380047       4.172665 
1 1 1 7   16  19 o 44.425  2.0154  268.762   23.839    260.853   33.933    276.469   33.498    43.761  2.9116  45.088  2.7874  -1.327084      4.030758 
1 1 1 7   16  20 o 63.606  3.0345  550.531   51.698    550.531   51.698    0.0000    0.0000    63.606  3.0345  ?       ?       ?              ?        
1 1 1 7   16  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   16  22 o 42.987  2.9575  253.780   33.845    0.0000    0.0000    253.780   33.845    ?       ?       42.987  2.9575  ?              ?        
1 1 1 7   16  23 o 13.716  4.1960  26.694    16.852    0.0000    0.0000    26.694    16.852    ?       ?       13.716  4.1960  ?              ?        
1 1 1 7   16  24 o 31.456  2.2449  138.431   18.546    154.979   26.408    122.327   26.051    33.406  2.9827  29.507  3.3559  3.899439       4.489833 
1 1 1 7   16  25 o 12.470  2.7677  21.124    11.455    5.2694    17.176    33.826    15.373    9.7508  4.0338  15.190  3.7907  -5.439066      5.535374 
1 1 1 7   16  26 f 55.642  2.2025  433.157   32.691    429.361   46.355    436.913   46.111    55.381  3.1379  55.902  3.0915  -0.5215225     4.404970 
1 1 1 7   16  27 o 28.843  2.4057  118.589   18.204    126.434   26.222    111.291   25.292    29.803  3.3424  27.883  3.4610  1.920153       4.811405 
1 1 1 7   16  28 o 22.764  2.7398  76.187    16.104    73.730    22.592    78.724    22.961    22.363  3.9142  23.165  3.8347  -0.8017769     5.479563 
1 1 1 7   16  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   16  30 o 17.851  3.1838  50.191    15.217    49.506    21.878    50.833    21.180    17.690  4.5810  18.012  4.4226  -0.3214779     6.367508 
1 1 1 7   17  0  o 75.047  2.0905  756.133   41.977    792.235   59.173    719.559   59.558    76.855  2.8745  73.239  3.0361  3.616241       4.180958 
1 1 1 7   17  1  o 130.061 2.8305  2272.30   98.602    2275.24   138.995   2269.33   139.898   130.148 3.9873  129.975 4.0185  0.1723785      5.660957 
1 1 1 7   17  2  o 12.993  2.6021  23.286    9.5326    26.579    13.217    19.715    13.762    13.811  3.5525  12.176  3.8031  1.634569       5.204236 
1 1 1 7   17  3  o 145.116 3.0468  2831.39   118.425   2814.85   167.123   2848.06   167.834   144.690 4.3123  145.542 4.3053  -0.8518524     6.093574 
1 1 1 7   17  4  o 107.000 2.4919  1537.85   71.398    1493.01   100.714   1583.16   101.233   105.428 3.5665  108.572 3.4811  -3.143723      4.983755 
1 1 1 7   17  5  o 76.546  2.1194  786.726   43.436    760.902   61.385    812.622   61.471    75.285  3.0442  77.807  2.9496  -2.522362      4.238749 
1 1 1 7   17  6  o 85.447  2.2511  980.763   51.517    997.514   73.024    964.165   72.689    86.175  3.1637  84.719  3.2033  1.455933       4.502263 
1 1 1 7   17  7  o 37.262  1.9654  187.725   19.405    169.320   27.289    206.550   27.598    35.388  2.9047  39.136  2.6484  -3.748245      3.930798 
1 1 1 7   17  8  o 47.179  2.6175  311.695   29.728    327.665   35.840    276.475   53.223    49.317  2.7238  45.042  4.4707  4.274822       5.235050 
1 1 1 7   17  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   17  10 o 67.165  2.0782  606.958   37.386    612.984   53.053    601.013   52.693    67.497  2.9345  66.833  2.9435  0.6632462      4.156437 
1 1 1 7   17  11 o 60.289  2.0369  489.998   32.770    530.295   46.809    451.265   45.893    62.770  2.7841  57.809  2.9740  4.961170       4.073803 
1 1 1 7   17  12 o 85.195  2.2984  979.788   52.447    982.865   74.525    976.769   73.822    85.325  3.2609  85.064  3.2400  0.2607117      4.596869 
1 1 1 7   17  13 o 25.451  2.1157  88.603    14.146    88.901    20.139    88.313    19.876    25.491  3.0075  25.411  2.9766  0.7995033E-01  4.231469 
1 1 1 7   17  14 o 21.586  2.2870  64.503    12.790    62.411    18.474    66.430    17.724    21.216  3.3631  21.956  3.1002  -0.7400665     4.574049 
1 1 1 7   17  15 o 77.910  2.2259  821.922   46.449    829.593   66.005    814.395   65.378    78.270  3.1484  77.550  3.1474  0.7200012      4.451840 
1 1 1 7   17  16 o 90.842  2.3988  1120.95   58.364    1137.25   82.813    1104.86   82.268    91.503  3.3789  90.181  3.4059  1.322617       4.797586 
1 1 1 7   17  17 o 20.471  2.4022  58.539    12.666    65.548    18.075    51.777    17.754    21.747  3.1985  19.196  3.5848  2.551254       4.804329 
1 1 1 7   17  18 o 39.710  2.0596  215.379   21.725    205.218   30.928    225.276   30.523    38.757  3.0027  40.663  2.8198  -1.906399      4.119205 
1 1 1 7   17  19 o 74.845  2.2402  764.028   44.906    775.252   63.685    752.927   63.330    75.397  3.1535  74.292  3.1826  1.105927       4.480327 
1 1 1 7   17  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   17  21 o 11.490  4.1855  15.565    16.709    15.565    16.709    0.0000    0.0000    11.490  4.1855  ?       ?       ?              ?        
1 1 1 7   17  22 o 24.353  3.4757  83.698    22.028    0.0000    0.0000    83.698    22.028    ?       ?       24.353  3.4757  ?              ?        
1 1 1 7   17  23 o 36.422  2.6534  191.044   24.144    176.537   40.048    199.327   30.262    34.958  4.3728  37.886  3.0068  -2.928154      5.306804 
1 1 1 7   17  24 o 38.267  2.1890  205.363   22.118    183.110   31.381    227.329   31.178    36.090  3.2822  40.444  2.8973  -4.354183      4.378009 
1 1 1 7   17  25 f 37.762  2.2337  200.543   22.366    193.958   31.851    206.949   31.415    37.102  3.2374  38.422  3.0784  -1.319675      4.467404 
1 1 1 7   17  26 o 10.044  2.8242  8.8245    11.447    12.054    16.090    5.5154    16.288    10.557  4.0529  9.5312  3.9343  1.026108       5.648396 
1 1 1 7   17  27 o 14.658  3.1858  32.258    13.801    28.166    19.793    36.128    19.252    13.876  4.5829  15.440  4.4265  -1.563343      6.371618 
1 1 1 7   17  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   17  29 o 13.057  3.1588  25.276    13.471    19.768    19.724    30.091    18.443    12.138  4.5253  13.976  4.4084  -1.838260      6.317601 
1 1 1 7   18  0  o 211.171 4.1171  6015.68   232.868   6022.34   328.647   6008.96   330.009   211.292 5.8071  211.049 5.8378  0.2428436      8.234227 
1 1 1 7   18  1  o 51.417  1.9111  355.636   26.227    357.582   37.055    353.682   37.126    51.559  2.6925  51.275  2.7129  0.2842903      3.822225 
1 1 1 7   18  2  o 35.678  1.9017  172.046   17.976    155.835   25.346    188.452   25.499    33.962  2.8116  37.394  2.5613  -3.431736      3.803347 
1 1 1 7   18  3  o 90.536  2.2814  1100.93   55.319    1081.64   77.961    1120.48   78.509    89.736  3.2436  91.336  3.2091  -1.599716      4.562802 
1 1 1 7   18  4  o 107.576 2.5491  1556.23   73.445    1532.29   103.641   1580.38   104.095   106.742 3.6250  108.410 3.5849  -1.667305      5.098212 
1 1 1 7   18  5  o 120.235 2.7197  1946.32   87.580    1915.43   123.668   1977.40   124.048   119.274 3.8710  121.196 3.8213  -1.922318      5.439388 
1 1 1 7   18  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   18  7  o 61.975  3.9584  520.218   65.366    0.0000    0.0000    520.218   65.366    ?       ?       61.975  3.9584  ?              ?        
1 1 1 7   18  8  o 91.745  2.3521  1134.08   57.799    1128.43   81.944    1139.67   81.537    91.516  3.3430  91.975  3.3097  -0.4597778     4.704253 
1 1 1 7   18  9  o 38.564  1.9522  201.105   20.028    205.669   28.527    196.668   28.126    38.999  2.7485  38.129  2.7731  0.8706360      3.904375 
1 1 1 7   18  10 o 33.978  1.9915  156.519   17.959    159.670   25.691    153.509   25.114    34.314  2.8202  33.642  2.8128  0.6719933      3.983100 
1 1 1 7   18  11 o 38.422  1.9993  200.310   20.404    189.984   28.967    210.478   28.744    37.418  2.9132  39.425  2.7391  -2.006119      3.998610 
1 1 1 7   18  12 o 67.830  2.1110  621.363   38.348    634.526   54.636    608.581   53.837    68.540  2.9761  67.120  2.9946  1.419426       4.221957 
1 1 1 7   18  13 o 52.124  2.0204  367.933   28.065    393.100   40.192    343.986   39.206    53.881  2.7946  50.367  2.9187  3.513451       4.040819 
1 1 1 7   18  14 o 54.247  2.0278  398.982   29.357    405.244   41.721    392.841   41.318    54.671  2.8590  53.822  2.8765  0.8494072      4.055622 
1 1 1 7   18  15 o 26.767  2.1782  98.482    15.293    105.830   21.683    91.209    21.573    27.800  2.9574  25.735  3.1987  2.065277       4.356331 
1 1 1 7   18  16 o 36.709  2.0667  183.787   20.146    190.372   28.802    177.480   28.189    37.362  2.9009  36.057  2.9445  1.304802       4.133415 
1 1 1 7   18  17 o 28.562  2.2063  112.265   16.594    117.163   23.690    107.546   23.252    29.191  3.0762  27.933  3.1636  1.258341       4.412649 
1 1 1 7   18  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   18  19 o 45.142  2.9988  279.646   36.053    279.646   36.053    0.0000    0.0000    45.142  2.9988  ?       ?       ?              ?        
1 1 1 7   18  20 f 25.378  3.5263  90.605    23.322    90.605    23.322    0.0000    0.0000    25.378  3.5263  ?       ?       ?              ?        
1 1 1 7   18  21 o 44.793  3.0280  277.453   36.116    0.0000    0.0000    277.453   36.116    ?       ?       44.793  3.0280  ?              ?        
1 1 1 7   18  22 o 8.3324  3.5852  -0.0729   14.460    0.0000    0.0000    -0.0729   14.460    ?       ?       8.3324  3.5852  ?              ?        
1 1 1 7   18  23 o 25.746  2.5128  94.839    16.836    91.008    24.118    98.479    23.512    25.171  3.6867  26.321  3.4156  -1.150230      5.025694 
1 1 1 7   18  24 o 11.034  2.8804  14.432    11.436    9.1252    16.798    19.015    15.612    10.219  4.0758  11.848  4.0711  -1.628569      5.760755 
1 1 1 7   18  25 o 48.201  2.2234  326.620   28.534    322.693   40.831    330.368   39.892    47.874  3.2027  48.527  3.0851  -0.6528893     4.446894 
1 1 1 7   18  26 o 10.714  3.0027  11.154    12.792    10.834    18.834    11.427    17.427    10.788  4.3115  10.639  4.1803  0.1498728      6.005316 
1 1 1 7   18  27 o 15.849  3.1018  36.219    14.402    58.723    22.006    19.360    19.047    19.585  4.3117  12.113  4.4602  7.471914       6.203547 
1 1 1 7   18  28 o 16.355  3.2427  42.422    14.979    51.172    21.398    34.013    20.976    18.004  4.4603  14.707  4.7081  3.297405       6.485384 
1 1 1 7   19  0  o 81.855  2.1773  899.754   47.734    899.239   67.101    900.282   67.918    81.832  3.0614  81.877  3.0970  -0.4488373E-01 4.354664 
1 1 1 7   19  1  o 72.213  2.0785  700.182   40.196    682.769   56.510    718.013   57.186    71.303  2.9589  73.123  2.9197  -1.819809      4.156917 
1 1 1 7   19  2  o 55.927  1.9612  420.953   29.289    442.651   41.321    399.045   41.521    57.420  2.6867  54.435  2.8578  2.984848       3.922420 
1 1 1 7   19  3  o 56.460  3.7006  430.976   55.653    430.976   55.653    0.0000    0.0000    56.460  3.7006  ?       ?       ?              ?        
1 1 1 7   19  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   19  5  o 72.414  2.1112  705.399   40.946    712.462   57.780    698.273   58.033    72.781  2.9640  72.048  3.0072  0.7329178      4.222372 
1 1 1 7   19  6  o 137.447 2.9979  2556.06   110.333   2478.72   155.871   2633.72   156.198   135.343 4.2997  139.551 4.1788  -4.207382      5.995858 
1 1 1 7   19  7  o 57.531  1.9869  445.549   30.617    440.885   43.317    450.206   43.280    57.228  2.8259  57.834  2.7939  -0.6051903     3.973884 
1 1 1 7   19  8  o 29.903  1.9810  121.488   15.681    122.175   22.225    120.807   22.129    29.988  2.7992  29.818  2.8037  0.1705532      3.961901 
1 1 1 7   19  9  o 28.010  2.0509  107.241   15.069    119.973   21.365    94.636    21.257    29.716  2.7141  26.303  3.0753  3.413530       4.101712 
1 1 1 7   19  10 o 44.811  1.9687  271.973   23.494    285.671   33.375    258.519   33.077    45.944  2.7242  43.677  2.8429  2.266708       3.937415 
1 1 1 7   19  11 o 42.629  1.9880  246.346   22.544    263.078   32.240    230.336   31.536    44.063  2.7453  41.194  2.8762  2.868603       3.976100 
1 1 1 7   19  12 o 46.157  2.0026  288.978   24.634    290.762   35.191    287.264   34.496    46.293  2.8520  46.021  2.8120  0.2720947      4.005133 
1 1 1 7   19  13 o 71.736  2.1822  697.864   41.906    675.547   59.521    719.801   59.011    70.580  3.1485  72.891  3.0225  -2.310631      4.364480 
1 1 1 7   19  14 o 25.809  2.2580  91.897    15.257    89.026    21.840    94.632    21.323    25.388  3.2891  26.231  3.0944  -0.8433056     4.515924 
1 1 1 7   19  15 o 42.546  2.0734  247.102   23.457    239.738   33.607    254.098   32.757    41.903  3.0145  43.189  2.8477  -1.286285      4.146816 
1 1 1 7   19  16 o 8.9744  2.4523  3.8347    9.1417    15.227    13.234    -6.5614   12.643    10.950  3.7488  6.9987  3.1624  3.951479       4.904541 
1 1 1 7   19  17 o 44.233  3.0136  268.214   35.492    0.0000    0.0000    268.214   35.492    ?       ?       44.233  3.0136  ?              ?        
1 1 1 7   19  18 f 48.295  2.1650  320.557   27.834    339.736   39.796    302.188   38.945    49.738  3.0012  46.852  3.1213  2.886665       4.330085 
1 1 1 7   19  19 o 7.2064  3.2772  -7.7800   13.842    -7.7800   13.842    0.0000    0.0000    7.2064  3.2772  ?       ?       ?              ?        
1 1 1 7   19  20 o 55.548  5.1889  452.414   76.309    452.414   76.309    0.0000    0.0000    55.548  5.1889  ?       ?       ?              ?        
1 1 1 7   19  21 o 34.190  3.1867  163.688   28.847    0.0000    0.0000    163.688   28.847    ?       ?       34.190  3.1867  ?              ?        
1 1 1 7   19  22 o 46.725  2.6224  315.948   31.007    288.613   50.680    332.302   39.199    44.615  4.2940  48.834  3.0116  -4.219196      5.244829 
1 1 1 7   19  23 o 23.951  2.7532  84.486    16.688    62.480    23.410    107.224   23.796    20.420  4.4092  27.482  3.2985  -7.062380      5.506482 
1 1 1 7   19  24 o 16.661  3.1842  42.127    14.554    40.748    20.851    43.438    20.324    16.384  4.5757  16.939  4.4295  -0.5545425     6.368465 
1 1 1 7   19  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   19  26 o 20.479  3.0448  64.242    16.171    63.501    22.797    64.993    22.942    20.351  4.3160  20.607  4.2959  -0.2553177     6.089562 
1 1 1 7   20  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   20  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   20  2  o 79.563  2.1678  851.487   46.196    840.625   64.925    862.625   65.744    79.049  3.0664  80.077  3.0652  -1.027878      4.335684 
1 1 1 7   20  3  o 146.973 3.1202  2923.03   122.817   2863.31   173.169   2983.47   174.215   145.452 4.4449  148.495 4.3801  -3.042969      6.240395 
1 1 1 7   20  4  o 105.749 2.5367  1509.84   71.818    1560.57   101.433   1458.84   101.700   107.546 3.5212  103.952 3.6526  3.593735       5.073491 
1 1 1 7   20  5  o 49.682  1.9493  333.281   25.837    333.657   36.635    332.909   36.444    49.709  2.7625  49.655  2.7509  0.5408859E-01  3.898542 
1 1 1 7   20  6  o 62.990  2.0399  534.785   34.412    523.402   48.535    546.291   48.796    62.313  2.9080  63.667  2.8614  -1.354511      4.079703 
1 1 1 7   20  7  o 59.077  2.0270  470.724   32.074    466.504   45.318    474.960   45.402    58.810  2.8770  59.344  2.8563  -0.5336571     4.054085 
1 1 1 7   20  8  o 14.881  2.5986  31.222    10.397    37.764    14.766    24.789    14.642    16.395  3.4707  13.368  3.8684  3.027671       5.197137 
1 1 1 7   20  9  o 54.511  2.0507  402.681   29.825    393.083   42.286    412.182   42.073    53.854  2.9427  55.169  2.8570  -1.315063      4.101451 
1 1 1 7   20  10 o 59.621  2.0725  481.411   33.033    472.663   46.894    490.028   46.540    59.038  2.9750  60.204  2.8861  -1.166157      4.144915 
1 1 1 7   20  11 o 15.679  2.6304  34.771    11.339    19.478    15.844    50.823    16.233    12.268  4.1023  19.091  3.2935  -6.823338      5.260822 
1 1 1 7   20  12 o 40.527  2.0555  223.620   22.163    226.645   31.395    220.614   31.290    40.805  2.8913  40.249  2.9224  0.5562363      4.110945 
1 1 1 7   20  13 o 37.821  2.0690  195.211   20.797    194.528   29.448    195.890   29.374    37.753  2.9353  37.890  2.9168  -0.1370163     4.138033 
1 1 1 7   20  14 o 43.289  2.0836  255.881   24.003    265.908   34.131    246.068   33.764    44.144  2.9028  42.434  2.9897  1.709938       4.167116 
1 1 1 7   20  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   20  16 o 42.870  2.1196  252.220   24.180    258.112   34.656    246.631   33.753    43.358  3.0026  42.382  2.9926  0.9763336      4.239270 
1 1 1 7   20  17 o 34.703  2.2194  167.085   20.313    183.850   28.745    150.362   28.710    36.519  2.9643  32.887  3.3040  3.631981       4.438813 
1 1 1 7   20  18 o 33.228  3.2256  153.815   28.346    153.815   28.346    0.0000    0.0000    33.228  3.2256  ?       ?       ?              ?        
1 1 1 7   20  19 o 31.634  3.2998  140.391   27.547    140.391   27.547    0.0000    0.0000    31.634  3.2998  ?       ?       ?              ?        
1 1 1 7   20  20 o 20.835  4.0163  63.471    21.600    0.0000    0.0000    63.471    21.600    ?       ?       20.835  4.0163  ?              ?        
1 1 1 7   20  21 f 11.273  4.1063  15.733    16.083    0.0000    0.0000    15.733    16.083    ?       ?       11.273  4.1063  ?              ?        
1 1 1 7   20  22 o 9.9481  2.7271  4.3714    11.374    21.449    17.157    -9.0197   15.193    12.482  4.2684  7.4146  3.3953  5.066950       5.454142 
1 1 1 7   20  23 o 26.968  2.5973  105.218   18.255    104.435   26.307    105.945   25.353    26.821  3.7657  27.116  3.5781  -0.2949200     5.194549 
1 1 1 7   20  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   20  25 o 16.993  3.2020  45.476    15.084    54.901    21.131    35.684    21.539    18.865  4.2802  15.121  4.7635  3.744131       6.403963 
1 1 1 7   21  0  o 27.389  2.0028  101.988   14.475    104.945   20.464    99.028    20.476    27.797  2.7861  26.980  2.8779  0.8163033      4.005559 
1 1 1 7   21  1  o 56.482  1.9404  429.107   29.350    418.162   41.237    440.344   41.783    55.750  2.7615  57.213  2.7266  -1.462837      3.880757 
1 1 1 7   21  2  f 91.093  2.2981  1119.27   56.064    1131.26   78.932    1107.06   79.645    91.591  3.2174  90.594  3.2822  0.9973373      4.596180 
1 1 1 7   21  3  o 66.034  2.0342  587.440   35.974    573.879   50.503    601.409   51.256    65.259  2.8893  66.810  2.8643  -1.550476      4.068430 
1 1 1 7   21  4  o 100.103 2.4717  1355.93   66.242    1397.73   93.500    1313.80   93.862    101.670 3.4335  98.536  3.5564  3.134102       4.943322 
1 1 1 7   21  5  o 29.231  2.0079  116.684   15.452    105.622   21.948    127.557   21.758    27.814  2.9931  30.648  2.6773  -2.834028      4.015816 
1 1 1 7   21  6  o 79.458  2.2261  853.859   47.373    865.816   67.009    841.911   66.983    80.020  3.1264  78.897  3.1697  1.122932       4.452134 
1 1 1 7   21  7  o 36.176  1.9593  177.704   18.838    174.227   26.538    181.236   26.745    35.814  2.7884  36.538  2.7531  -0.7237701     3.918514 
1 1 1 7   21  8  o 47.321  1.9858  303.762   25.045    312.375   35.308    295.039   35.532    48.009  2.7573  46.633  2.8585  1.376492       3.971611 
1 1 1 7   21  9  o 54.923  2.0375  409.262   29.869    410.223   42.134    408.291   42.348    54.991  2.8705  54.855  2.8925  0.1353722      4.075075 
1 1 1 7   21  10 o 70.748  2.1853  679.174   41.405    666.336   58.608    691.966   58.503    70.071  3.1227  71.425  3.0580  -1.354172      4.370642 
1 1 1 7   21  11 o 25.657  2.2822  90.926    15.303    97.752    21.791    84.284    21.496    26.649  3.1115  24.666  3.3395  1.982615       4.564377 
1 1 1 7   21  12 o 16.548  2.7447  39.087    12.113    49.827    17.321    28.807    16.946    18.791  3.5720  14.304  4.1681  4.486771       5.489336 
1 1 1 7   21  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   21  14 o 8.0334  2.4118  -2.3903   9.4708    7.4845    13.895    -10.9583  12.943    9.4802  3.7302  6.5867  3.0580  2.893413       4.823504 
1 1 1 7   21  15 o 43.706  2.1408  262.964   24.884    250.424   35.125    275.598   35.258    42.627  3.0975  44.784  2.9559  -2.156445      4.281610 
1 1 1 7   21  16 o 54.398  2.1874  408.376   31.738    407.529   45.098    409.208   44.672    54.332  3.1119  54.463  3.0749  -0.1313057     4.374793 
1 1 1 7   21  17 o 17.174  2.9810  43.199    13.606    39.989    18.700    46.810    19.834    16.498  4.2160  17.851  4.2156  -1.352989      5.962082 
1 1 1 7   21  18 o 18.532  4.2041  50.682    20.389    50.682    20.389    0.0000    0.0000    18.532  4.2041  ?       ?       ?              ?        
1 1 1 7   21  19 o 36.390  6.1106  206.660   57.448    206.660   57.448    0.0000    0.0000    36.390  6.1106  ?       ?       ?              ?        
1 1 1 7   21  20 f 50.105  3.1786  351.759   42.438    0.0000    0.0000    351.759   42.438    ?       ?       50.105  3.1786  ?              ?        
1 1 1 7   21  21 o 13.991  3.3546  26.750    14.816    35.183    23.457    21.152    19.110    15.379  4.9845  12.604  4.4909  2.774744       6.709196 
1 1 1 7   21  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   21  23 o 8.5091  2.5714  -4.9814   11.578    -22.6417  16.605    11.728    16.152    6.5993  3.1772  10.419  4.0440  -3.819559      5.142785 
1 1 1 7   22  0  o 80.196  2.1574  867.409   46.338    868.589   65.078    866.195   65.994    80.256  3.0274  80.136  3.0746  0.1193848      4.314883 
1 1 1 7   22  1  o 30.102  1.9907  124.002   15.666    103.270   22.114    144.891   22.197    27.498  3.0541  32.706  2.5541  -5.208258      3.981308 
1 1 1 7   22  2  o 60.414  1.9981  492.280   32.330    491.915   45.389    492.656   46.061    60.394  2.8059  60.434  2.8456  -0.3945541E-01 3.996253 
1 1 1 7   22  3  o 8.9344  2.3630  6.7673    8.0362    -0.1389   11.383    13.630    11.347    7.5197  3.2067  10.349  3.4716  -2.829518      4.725957 
1 1 1 7   22  4  o 77.958  2.1903  821.963   45.734    815.596   64.408    828.438   64.950    77.654  3.0966  78.262  3.0984  -0.6085052     4.380540 
1 1 1 7   22  5  o 43.911  1.9818  261.482   23.185    265.031   32.904    257.983   32.675    44.210  2.7931  43.612  2.8122  0.5978966      3.963545 
1 1 1 7   22  6  o 26.672  2.1852  97.983    15.105    116.493   21.631    80.369    21.102    29.228  2.7972  24.115  3.3581  5.113342       4.370467 
1 1 1 7   22  7  o 26.564  2.1458  96.785    14.991    99.141    21.374    94.504    21.031    26.889  3.0199  26.239  3.0492  0.6503315      4.291559 
1 1 1 7   22  8  o 15.802  2.6652  36.298    11.413    47.646    15.612    23.273    16.727    18.461  3.2774  13.143  4.2039  5.317505       5.330439 
1 1 1 7   22  9  o 57.390  2.1012  447.878   32.191    475.850   45.707    420.346   45.345    59.233  2.8809  55.547  3.0596  3.686466       4.202472 
1 1 1 7   22  10 o 54.148  2.1056  399.812   30.412    411.128   43.044    388.533   42.974    54.929  2.9363  53.368  3.0187  1.561111       4.211258 
1 1 1 7   22  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   22  12 f 35.418  2.1504  172.452   20.171    184.962   28.882    160.539   28.184    36.704  2.9631  34.133  3.1172  2.570679       4.300766 
1 1 1 7   22  13 o 11.119  2.4673  6.6468    10.816    35.569    16.030    -17.5230  14.654    15.714  3.8410  6.5242  3.0981  9.189712       4.934664 
1 1 1 7   22  14 o 25.330  2.4424  90.358    16.096    96.395    22.674    84.226    22.853    26.249  3.2977  24.410  3.6038  1.839643       4.884887 
1 1 1 7   22  15 o 46.350  2.1809  297.542   26.917    295.082   38.317    299.938   37.820    46.143  3.1185  46.557  3.0497  -0.4138184     4.361841 
1 1 1 7   22  16 o 44.666  2.2022  277.665   26.138    295.954   37.073    259.589   36.856    46.188  3.0132  43.144  3.2124  3.044483       4.404391 
1 1 1 7   22  17 o 16.765  4.3247  41.795    19.548    41.795    19.548    0.0000    0.0000    16.765  4.3247  ?       ?       ?              ?        
1 1 1 7   22  18 o 24.695  3.7877  88.054    24.254    88.054    24.254    0.0000    0.0000    24.695  3.7877  ?       ?       ?              ?        
1 1 1 7   22  19 o 46.691  3.2177  306.146   39.995    0.0000    0.0000    306.146   39.995    ?       ?       46.691  3.2177  ?              ?        
1 1 1 7   22  20 o 6.4257  3.0596  -17.1724  14.484    0.0000    0.0000    -17.1724  14.484    ?       ?       6.4257  3.0596  ?              ?        
1 1 1 7   22  21 o 33.541  2.9067  166.655   24.581    161.425   39.867    169.862   31.222    32.659  4.6922  34.423  3.4321  -1.763123      5.813429 
1 1 1 7   22  22 o 13.192  3.2565  25.183    14.171    23.603    20.266    26.695    19.822    12.929  4.6228  13.454  4.5880  -0.5245953     6.513056 
1 1 1 7   23  0  o 85.338  2.2463  985.063   51.339    989.933   72.157    980.072   73.061    85.559  3.1486  85.117  3.2046  0.4419403      4.492619 
1 1 1 7   23  1  o 50.708  1.9339  347.840   26.152    331.263   36.570    365.191   37.415    49.461  2.7715  51.954  2.6979  -2.493057      3.867858 
1 1 1 7   23  2  o 32.208  1.9782  141.218   16.881    134.752   23.870    147.688   23.875    31.452  2.8648  32.963  2.7287  -1.510975      3.956388 
1 1 1 7   23  3  o 25.923  2.0998  92.107    14.303    88.040    20.216    96.183    20.239    25.329  3.0407  26.517  2.8965  -1.188927      4.199505 
1 1 1 7   23  4  o 28.703  2.0649  112.618   15.652    111.617   22.224    113.603   22.048    28.570  2.9465  28.836  2.8936  -0.2663498     4.129776 
1 1 1 7   23  5  o 6.6461  2.1195  -5.8344   7.9854    -6.6488   11.130    -4.9706   11.463    6.4763  2.9427  6.8159  3.0511  -0.3395591     4.238965 
1 1 1 7   23  6  o 15.156  2.7822  32.608    11.394    32.924    16.112    32.293    16.114    15.227  3.9255  15.085  3.9438  0.1419926      5.564443 
1 1 1 7   23  7  o 28.722  2.1577  113.620   16.267    102.632   23.061    124.503   22.950    27.282  3.2178  30.163  2.8755  -2.880930      4.315431 
1 1 1 7   23  8  o 46.995  3.8013  305.046   47.439    305.046   47.439    0.0000    0.0000    46.995  3.8013  ?       ?       ?              ?        
1 1 1 7   23  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   23  10 o 15.555  2.8932  34.821    12.366    27.591    17.569    41.917    17.408    14.020  4.2836  17.091  3.8901  -3.070431      5.786376 
1 1 1 7   23  11 o 35.309  2.2191  173.010   20.520    202.801   29.226    144.043   28.819    38.434  2.8594  32.185  3.3942  6.249130       4.438152 
1 1 1 7   23  12 o 34.263  2.2211  162.795   20.102    176.751   28.620    149.206   28.241    35.769  3.0154  32.757  3.2621  3.012104       4.442276 
1 1 1 7   23  13 o 9.5162  2.5493  5.1843    9.9689    -7.6287   13.858    18.926    14.351    7.2181  3.2812  11.814  3.9024  -4.596208      5.098555 
1 1 1 7   23  14 o 30.294  2.3839  129.306   18.633    159.624   26.964    101.592   25.780    33.884  3.0020  26.704  3.7039  7.179312       4.767725 
1 1 1 7   23  15 o 33.975  2.2813  161.854   20.505    166.180   29.047    157.555   28.950    34.451  3.1838  33.499  3.2682  0.9517136      4.562654 
1 1 1 7   23  16 o 8.7517  3.7551  0.5836    15.783    0.5836    15.783    0.0000    0.0000    8.7517  3.7551  ?       ?       ?              ?        
1 1 1 7   23  17 f 55.554  3.2710  433.034   48.458    433.034   48.458    0.0000    0.0000    55.554  3.2710  ?       ?       ?              ?        
1 1 1 7   23  18 o 16.541  4.7013  41.507    21.812    0.0000    0.0000    41.507    21.812    ?       ?       16.541  4.7013  ?              ?        
1 1 1 7   23  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   23  20 o 20.370  2.9849  64.204    15.949    38.763    22.400    90.365    22.715    15.805  4.8381  24.934  3.4973  -9.129025      5.969821 
1 1 1 7   24  0  o 49.369  1.9526  330.325   25.715    325.420   36.181    335.332   36.555    48.996  2.7683  49.742  2.7545  -0.7457581     3.905174 
1 1 1 7   24  1  o 76.122  2.1725  786.449   44.210    835.679   62.196    736.169   62.855    78.567  2.9555  73.677  3.1851  4.889931       4.345066 
1 1 1 7   24  2  o 69.064  2.1187  646.275   39.190    637.060   55.036    655.753   55.819    68.565  2.9968  69.564  2.9958  -0.9989014     4.237396 
1 1 1 7   24  3  o 15.836  2.7695  35.610    11.699    32.604    16.399    38.724    16.694    15.160  3.9858  16.512  3.8462  -1.351543      5.538956 
1 1 1 7   24  4  o 26.378  2.1558  95.677    14.915    103.743   21.348    87.985    20.847    27.501  2.9439  25.255  3.1503  2.245779       4.311684 
1 1 1 7   24  5  o 22.397  2.5588  73.002    14.076    106.112   20.101    41.141    19.718    27.848  2.7300  16.946  4.3286  10.90184       5.117616 
1 1 1 7   24  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   24  7  o 30.226  2.2136  126.055   17.511    146.009   25.216    107.470   24.336    32.617  2.9171  27.835  3.3304  4.782856       4.427284 
1 1 1 7   24  8  o 42.549  2.1041  248.470   23.811    258.580   33.667    238.350   33.682    43.441  2.9102  41.657  3.0397  1.784481       4.208251 
1 1 1 7   24  9  o 41.591  2.1080  237.871   23.326    240.854   33.068    234.918   32.909    41.856  2.9689  41.326  2.9933  0.5301208      4.215975 
1 1 1 7   24  10 o 50.259  2.1259  347.837   28.482    338.825   40.114    357.000   40.447    49.587  3.0348  50.931  2.9779  -1.343346      4.251827 
1 1 1 7   24  11 o 7.9281  2.3597  -4.9200   9.4588    -18.1840  12.911    10.447    13.897    5.8799  2.8235  9.9762  3.7815  -4.096344      4.719355 
1 1 1 7   24  12 o 38.865  2.2345  210.542   23.011    195.320   32.436    225.967   32.651    37.388  3.2719  40.342  3.0441  -2.954052      4.468966 
1 1 1 7   24  13 o 45.232  2.1849  284.829   26.306    278.885   37.245    290.745   37.159    44.738  3.1278  45.725  3.0515  -0.9876556     4.369816 
1 1 1 7   24  14 o 30.988  2.4264  136.259   19.671    120.741   27.777    151.870   27.860    29.090  3.6449  32.885  3.2037  -3.794994      4.852708 
1 1 1 7   24  15 o 31.399  2.4611  139.713   20.199    120.486   27.914    160.846   29.265    29.013  3.6744  33.785  3.2750  -4.772470      4.922117 
1 1 1 7   24  16 o 36.899  3.3155  192.331   32.418    192.331   32.418    0.0000    0.0000    36.899  3.3155  ?       ?       ?              ?        
1 1 1 7   24  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   24  18 o 25.812  3.9798  98.436    26.630    0.0000    0.0000    98.436    26.630    ?       ?       25.812  3.9798  ?              ?        
1 1 1 7   24  19 o 32.520  2.9191  159.963   23.905    149.764   38.207    166.524   30.645    31.130  4.7311  33.911  3.4206  -2.781254      5.838134 
1 1 1 7   25  0  o 19.524  2.5357  53.478    12.764    50.208    17.728    56.998    18.394    18.879  3.6377  20.169  3.5337  -1.290056      5.071461 
1 1 1 7   25  1  o 60.989  2.0480  504.790   33.440    513.477   46.863    495.777   47.733    61.538  2.8431  60.440  2.9485  1.098019       4.096003 
1 1 1 7   25  2  o 42.626  1.9852  247.406   22.509    230.575   31.443    265.096   32.236    41.117  2.8731  44.136  2.7404  -3.018696      3.970498 
1 1 1 7   25  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   25  4  o 20.051  2.6355  57.136    13.594    53.880    19.805    60.037    18.693    19.440  3.9386  20.662  3.5029  -1.221962      5.270963 
1 1 1 7   25  5  o 46.628  2.0301  297.300   25.222    287.116   35.459    307.728   35.883    45.805  2.9052  47.450  2.8363  -1.645004      4.060155 
1 1 1 7   25  6  o 28.979  2.2092  116.382   16.842    108.927   23.830    123.823   23.807    28.007  3.2362  29.951  3.0082  -1.944607      4.418449 
1 1 1 7   25  7  o 19.868  2.6800  56.420    13.729    62.919    19.702    50.286    19.141    21.054  3.6246  18.683  3.9486  2.370697       5.359982 
1 1 1 7   25  8  o 28.271  2.2747  111.538   16.870    102.637   23.739    120.619   23.979    27.072  3.3449  29.469  3.0836  -2.396242      4.549431 
1 1 1 7   25  9  o 54.425  2.1620  409.537   31.381    397.273   44.284    421.907   44.475    53.582  3.0988  55.269  3.0157  -1.687622      4.324020 
1 1 1 7   25  10 o 44.228  2.1569  271.573   25.382    279.050   35.754    263.977   36.038    44.873  2.9919  43.582  3.1076  1.291164       4.313765 
1 1 1 7   25  11 o 23.188  2.6121  77.544    15.589    69.167    22.289    85.567    21.812    21.821  3.9593  24.555  3.4082  -2.734159      5.224127 
1 1 1 7   25  12 o 49.687  2.2236  344.450   29.433    333.863   41.332    355.342   41.925    48.892  3.1733  50.482  3.1158  -1.590614      4.447279 
1 1 1 7   25  13 o 41.925  2.2604  246.463   25.171    235.984   35.591    256.949   35.603    40.986  3.2692  42.864  3.1225  -1.877560      4.520788 
1 1 1 7   25  14 o 16.304  3.1995  39.969    14.463    39.858    20.206    40.085    20.712    16.287  4.4879  16.321  4.5612  -0.3372192E-01 6.398923 
1 1 1 7   25  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   25  16 f 15.819  4.4508  38.147    19.652    38.147    19.652    0.0000    0.0000    15.819  4.4508  ?       ?       ?              ?        
1 1 1 7   25  17 o 28.058  3.7927  115.937   27.773    0.0000    0.0000    115.937   27.773    ?       ?       28.058  3.7927  ?              ?        
1 1 1 7   26  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   26  1  o 22.481  2.4896  71.068    14.451    76.535    20.254    65.399    20.624    23.435  3.3195  21.526  3.7111  1.909836       4.979117 
1 1 1 7   26  2  o 40.630  2.0305  226.131   21.940    233.799   30.921    218.356   31.136    41.346  2.8087  39.913  2.9330  1.432610       4.060941 
1 1 1 7   26  3  o 48.219  2.0648  319.122   26.488    337.973   37.201    299.738   37.723    49.712  2.8053  46.725  3.0305  2.986984       4.129627 
1 1 1 7   26  4  o 15.265  2.9469  33.636    12.384    33.908    17.307    33.351    17.729    15.324  4.1251  15.206  4.2095  0.1181746      5.893771 
1 1 1 7   26  5  o 23.562  2.5177  78.801    15.308    86.037    21.369    71.173    21.939    24.783  3.3013  22.342  3.8023  2.441137       5.035470 
1 1 1 7   26  6  f 22.902  2.5043  74.440    14.806    66.359    20.769    82.791    21.112    21.544  3.7346  24.260  3.3373  -2.716606      5.008508 
1 1 1 7   26  7  o 11.365  2.8572  14.929    11.330    6.8857    15.656    23.772    16.417    9.7075  3.9127  13.022  4.1647  -3.314734      5.714376 
1 1 1 7   26  8  o 35.419  2.1809  174.722   20.479    179.941   29.194    169.665   28.734    35.953  3.0607  34.884  3.1078  1.068779       4.361885 
1 1 1 7   26  9  o 23.520  2.6665  79.852    16.147    89.189    22.831    70.507    22.840    25.035  3.5005  22.004  4.0234  3.030914       5.333049 
1 1 1 7   26  10 o 30.932  2.4054  135.472   19.545    125.886   27.702    144.973   27.579    29.761  3.5449  32.103  3.2522  -2.341845      4.810711 
1 1 1 7   26  11 o 51.745  2.2167  373.985   30.575    373.184   42.912    374.812   43.573    51.703  3.1132  51.787  3.1564  -0.8374023E-01 4.433376 
1 1 1 7   26  12 o 21.721  2.8631  69.937    15.908    50.893    22.219    89.967    22.787    18.366  4.5421  25.077  3.4869  -6.711105      5.726157 
1 1 1 7   26  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   26  14 o 15.709  4.4609  37.547    19.647    37.547    19.647    0.0000    0.0000    15.709  4.4609  ?       ?       ?              ?        
1 1 1 7   26  15 o 10.854  4.2332  12.812    17.764    12.812    17.764    0.0000    0.0000    10.854  4.2332  ?       ?       ?              ?        
1 1 1 7   27  0  o 28.714  2.3640  116.885   17.340    140.531   24.089    91.458    24.979    31.969  2.8428  25.458  3.7779  6.511467       4.728005 
1 1 1 7   27  1  o 31.095  2.2314  134.450   18.191    151.691   25.799    117.402   25.654    33.173  2.9337  29.017  3.3631  4.156134       4.462850 
1 1 1 7   27  2  o 23.993  2.4642  82.746    14.919    102.440   20.861    62.132    21.343    27.201  2.9084  20.785  3.9786  6.415812       4.928308 
1 1 1 7   27  3  o 23.420  2.4642  77.644    14.851    90.730    21.337    65.348    20.682    25.466  3.1987  21.375  3.7492  4.091267       4.928337 
1 1 1 7   27  4  o 34.394  2.1521  164.221   19.619    162.435   27.498    166.073   28.000    34.206  3.0328  34.581  3.0543  -0.3751144     4.304248 
1 1 1 7   27  5  o 24.041  2.5280  83.052    15.544    97.647    21.854    68.111    22.112    26.390  3.1543  21.692  3.9514  4.698019       5.055986 
1 1 1 7   27  6  o 17.104  2.9034  43.201    13.453    57.548    19.186    29.326    18.868    19.954  3.7268  14.255  4.4531  5.699078       5.806841 
1 1 1 7   27  7  o 40.758  2.1706  231.485   23.517    224.768   32.916    238.489   33.610    40.144  3.0849  41.373  3.0546  -1.228920      4.341298 
1 1 1 7   27  8  o 49.200  2.2061  338.487   28.822    308.625   40.814    368.190   40.705    46.928  3.2675  51.472  2.9651  -4.544106      4.412242 
1 1 1 7   27  9  o 28.945  2.4745  119.207   18.795    119.362   26.632    119.054   26.527    28.962  3.5045  28.929  3.4943  0.3293228E-01  4.948945 
1 1 1 7   27  10 o 31.211  2.4416  138.489   20.068    141.137   28.644    135.937   28.123    31.508  3.4505  30.914  3.4555  0.5943451      4.883294 
1 1 1 7   27  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   27  12 o 19.808  3.0857  59.720    15.924    63.697    21.962    55.311    23.122    20.637  4.1174  18.980  4.5970  1.657837       6.171350 
1 1 1 7   27  13 o 26.326  3.9066  114.683   23.332    118.054   26.833    104.233   47.247    28.467  3.5996  24.184  6.9346  4.282772       7.813143 
1 1 1 7   28  0  o 39.775  2.1235  218.781   22.402    200.508   31.329    237.899   32.046    38.025  3.1031  41.525  2.8994  -3.500782      4.246901 
1 1 1 7   28  1  o 16.814  2.8983  41.891    13.164    52.431    18.289    30.558    18.964    19.073  3.7135  14.556  4.4509  4.517420       5.796566 
1 1 1 7   28  2  o 31.683  2.2060  140.105   18.470    145.080   26.288    135.254   25.958    32.260  3.0797  31.107  3.1592  1.152651       4.411958 
1 1 1 7   28  3  o 9.7262  2.6866  8.6400    10.257    12.284    13.716    4.0172    15.448    10.268  3.7843  9.1841  3.8145  1.084162       5.373205 
1 1 1 7   28  4  o 27.697  2.3539  108.110   17.080    100.174   23.614    116.816   24.735    26.594  3.3925  28.801  3.2640  -2.207066      4.707717 
1 1 1 7   28  5  o 12.415  2.8659  19.673    12.333    34.298    16.733    2.2819    18.247    15.251  4.0342  9.5786  4.0718  5.671935       5.731877 
1 1 1 7   28  6  o 18.640  3.0461  51.819    14.914    55.015    20.892    48.498    21.298    19.285  4.1663  17.996  4.4448  1.289455       6.092125 
1 1 1 7   28  7  o 14.497  3.1466  30.864    13.646    37.579    18.818    23.416    19.818    15.872  4.3136  13.122  4.5823  2.750881       6.293189 
1 1 1 7   28  8  o 22.717  7.0807  87.247    47.734    87.247    47.734    0.0000    0.0000    22.717  7.0807  ?       ?       ?              ?        
1 1 1 7   28  9  o 12.670  4.5001  21.674    19.175    0.0000    0.0000    21.674    19.175    ?       ?       12.670  4.5001  ?              ?        
1 1 1 7   28  10 f 24.484  2.7739  88.674    17.457    100.578   24.716    76.824    24.660    26.332  3.5986  22.637  4.2224  3.694519       5.547845 
1 1 1 7   28  11 o 16.407  3.3012  41.995    15.243    45.763    21.601    38.257    21.513    17.128  4.6077  15.685  4.7286  1.442902       6.602316 
1 1 1 7   29  0  o 24.458  2.4939  85.025    15.782    74.440    21.763    96.767    22.921    22.760  3.6968  26.157  3.3484  -3.397676      4.987791 
1 1 1 7   29  1  o 29.243  2.3579  120.599   18.124    114.869   25.240    126.701   26.043    28.502  3.3714  29.984  3.2972  -1.481495      4.715705 
1 1 1 7   29  2  o 30.298  2.3977  129.651   19.108    124.349   26.396    135.489   27.697    29.644  3.3851  30.952  3.3966  -1.307682      4.795396 
1 1 1 7   29  3  o 24.211  2.6002  84.581    16.245    87.869    22.196    80.787    23.840    24.834  3.4283  23.588  3.9104  1.245636       5.200375 
1 1 1 7   29  4  o 11.712  3.1238  15.256    14.437    25.789    16.546    -18.3461  29.551    13.364  4.1693  10.060  4.6528  3.303978       6.247547 
1 1 1 7   29  5  o 17.507  3.0470  46.360    14.828    64.823    20.897    27.635    21.045    21.064  3.8456  13.951  4.7275  7.113089       6.094091 
1 1 1 7   29  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   29  7  o 27.725  2.6179  111.485   18.947    112.099   26.478    110.841   27.123    27.840  3.6378  27.610  3.7657  0.2296524      5.235866 
1 1 1 7   29  8  o 13.627  3.0634  25.830    14.055    43.030    19.393    6.7972    20.399    16.785  4.2956  10.469  4.3687  6.316135       6.126811 
1 1 1 7   29  9  o 42.260  2.3252  256.568   26.076    264.341   36.395    248.369   37.380    43.010  3.1818  41.509  3.3916  1.501087       4.650480 
1 1 1 7   30  0  o 24.074  2.6965  84.809    16.548    100.456   23.193    68.585    23.617    26.612  3.3264  21.537  4.2450  5.074821       5.393045 
1 1 1 7   30  1  o 19.320  2.8715  54.697    14.341    49.952    19.296    60.553    21.435    18.382  4.0302  20.257  4.0913  -1.875418      5.742973 
1 1 1 7   30  2  o 18.790  3.0887  52.110    15.320    40.707    20.561    66.339    22.969    16.430  4.5272  21.149  4.2028  -4.718565      6.177318 
1 1 1 7   30  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 7   30  4  o 21.202  2.9443  68.978    16.032    90.148    22.327    46.443    23.035    25.045  3.4175  17.359  4.7955  7.686043       5.888638 
1 1 1 7   30  5  o 17.364  3.0368  46.990    14.716    64.253    20.291    27.835    21.374    20.872  3.7682  13.855  4.7633  7.016730       6.073587 
1 1 1 7   30  6  o 14.274  2.8762  24.943    13.955    -1.2788   18.775    57.311    20.860    9.1104  3.9999  19.437  4.1341  -10.32630      5.752355 
1 1 1 7   31  0  o 14.765  5.8314  26.043    34.074    0.0000    0.0000    26.043    34.074    ?       ?       14.765  5.8314  ?              ?        
1 1 1 7   31  1  o 25.986  2.6791  99.057    17.933    110.965   25.118    86.676    25.612    27.790  3.4486  24.182  4.1008  3.608341       5.358129 
1 1 1 7   31  2  o 25.693  2.7574  97.580    18.283    102.312   25.105    92.236    26.679    26.520  3.6295  24.866  4.1521  1.654093       5.514855 
1 1 1 7   31  3  o 16.353  3.1553  39.295    14.606    25.228    19.191    58.658    22.516    13.182  4.5143  19.525  4.4097  -6.343031      6.310628 
1 1 1 7   32  0  o 19.504  3.0515  58.484    15.510    58.686    21.506    58.266    22.390    19.590  4.2231  19.418  4.4059  0.1719074      6.102936 
1 1 1 8   -37 10 o 11.188  3.1387  11.936    14.474    33.245    23.270    -1.5106   18.485    13.779  4.9507  8.5965  3.8595  5.182362       6.277364 
1 1 1 8   -37 11 o 25.628  2.9347  105.566   19.335    123.673   28.964    91.010    25.969    27.758  4.0121  23.497  4.2840  4.260355       5.869390 
1 1 1 8   -37 12 o 14.417  3.3684  33.613    14.867    49.647    24.618    24.409    18.652    16.525  5.0742  12.308  4.4312  4.217461       6.736725 
1 1 1 8   -37 13 o 4.9997  2.4934  -31.7773  13.484    0.0000    0.0000    -31.7773  13.484    ?       ?       4.9997  2.4934  ?              ?        
1 1 1 8   -37 14 o 23.057  4.8731  92.361    29.153    0.0000    0.0000    92.361    29.153    ?       ?       23.057  4.8731  ?              ?        
1 1 1 8   -37 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -37 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -37 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -37 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -37 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -37 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -37 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -37 22 o 20.301  5.4582  81.717    30.322    0.0000    0.0000    81.717    30.322    ?       ?       20.301  5.4582  ?              ?        
1 1 1 8   -37 23 o 8.6425  3.8967  -0.0061   19.075    0.0000    0.0000    -0.0061   19.075    ?       ?       8.6425  3.8967  ?              ?        
1 1 1 8   -37 24 o 10.437  3.2408  7.9700    16.994    25.795    27.906    -2.5369   21.425    12.143  5.0917  8.7311  4.0106  3.411987       6.481544 
1 1 1 8   -36 4  o 16.377  3.3324  46.033    15.368    45.556    23.066    46.415    20.609    16.160  4.9017  16.595  4.5160  -0.4346943     6.664876 
1 1 1 8   -36 5  o 7.0678  2.3464  -9.6372   9.9886    -9.6630   18.999    -9.6273   11.742    8.0376  3.7222  6.0979  2.8578  1.939682       4.692714 
1 1 1 8   -36 6  o 10.772  4.2707  14.162    18.342    0.0000    0.0000    14.162    18.342    ?       ?       10.772  4.2707  ?              ?        
1 1 1 8   -36 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -36 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -36 9  o 12.206  3.2554  20.307    14.339    28.530    22.729    14.871    18.480    13.454  4.8845  10.957  4.3048  2.497514       6.510794 
1 1 1 8   -36 10 f 28.907  2.6212  126.621   19.789    133.648   29.138    120.605   26.960    29.610  3.7586  28.205  3.6546  1.404871       5.242486 
1 1 1 8   -36 11 o 17.637  3.3313  53.294    16.588    38.004    25.050    65.235    22.137    15.023  5.1572  20.250  4.2183  -5.226744      6.662587 
1 1 1 8   -36 12 o 24.120  3.0124  90.341    18.506    120.227   28.059    67.332    24.620    27.996  3.8433  20.245  4.6397  7.750889       6.024740 
1 1 1 8   -36 13 o 17.862  2.9186  45.381    16.309    99.321    25.342    7.2441    21.309    25.408  3.8438  10.316  4.3929  15.09240       5.837173 
1 1 1 8   -36 14 o 14.933  3.3104  33.126    15.661    58.061    24.436    15.743    20.403    18.559  4.8586  11.307  4.4975  7.252117       6.620711 
1 1 1 8   -36 15 o 24.696  3.1227  97.785    19.825    99.598    29.393    96.272    26.853    24.733  4.6065  24.659  4.2172  0.7333374E-01  6.245317 
1 1 1 8   -36 16 o 9.4719  2.8904  -2.1443   13.529    17.521    21.998    -14.1080  17.158    11.696  4.6644  7.2478  3.4147  4.448133       5.780746 
1 1 1 8   -36 17 o 7.3719  2.4777  -16.7795  13.081    -27.7438  22.059    -10.8323  16.246    7.4543  3.6068  7.2894  3.3981  0.1648512      4.955409 
1 1 1 8   -36 18 o 25.023  3.0829  100.595   19.856    106.266   29.438    95.861    26.895    25.585  4.4577  24.461  4.2598  1.123732       6.165774 
1 1 1 8   -36 19 o 18.528  3.3695  60.561    17.783    38.045    26.196    79.802    24.217    14.784  5.2590  22.271  4.2140  -7.487041      6.739082 
1 1 1 8   -36 20 o 24.224  3.3081  97.065    20.615    119.162   30.701    78.920    27.820    27.066  4.3848  21.382  4.9546  5.683838       6.616183 
1 1 1 8   -36 21 o 20.296  3.4974  71.641    18.779    74.368    27.874    69.374    25.411    20.505  5.0971  20.086  4.7904  0.4183102      6.994895 
1 1 1 8   -36 22 o 15.462  3.4162  42.054    17.712    17.105    26.077    63.424    24.134    11.772  4.9283  19.151  4.7323  -7.378352      6.832459 
1 1 1 8   -36 23 o 20.102  3.6377  72.638    20.275    98.972    30.124    50.829    27.414    23.830  4.8835  16.374  5.3929  7.456305       7.275477 
1 1 1 8   -36 24 o 7.5880  2.5725  -20.1427  14.988    -31.0443  24.036    -13.2070  19.172    7.5289  3.6709  7.6472  3.6049  -0.1182919     5.144981 
1 1 1 8   -36 25 o 9.9664  2.9544  4.6899    15.233    -23.1494  23.885    23.775    19.776    7.8921  3.8023  12.041  4.5230  -4.148579      5.908867 
1 1 1 8   -36 26 o 8.9659  2.9302  -5.8899   16.692    -14.0085  24.829    0.8059    22.549    8.5700  4.0587  9.3617  4.2274  -0.7916918     5.860398 
1 1 1 8   -36 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -36 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -36 29 o 13.041  5.0044  34.838    24.526    0.0000    0.0000    34.838    24.526    ?       ?       13.041  5.0044  ?              ?        
1 1 1 8   -35 0  o 16.637  3.3672  45.901    15.953    59.139    23.936    35.322    21.399    18.734  4.7604  14.540  4.7635  4.194126       6.734387 
1 1 1 8   -35 1  o 23.361  2.9866  85.798    17.954    96.805    26.454    76.399    24.445    24.857  4.1174  21.865  4.3272  2.992685       5.973110 
1 1 1 8   -35 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -35 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -35 4  o 7.4381  2.4516  -11.0886  11.608    -12.9555  18.897    -9.9573   14.711    7.8495  3.6612  7.0267  3.2615  0.8227768      4.903233 
1 1 1 8   -35 5  o 22.901  2.7990  79.842    16.502    85.972    24.496    74.748    22.329    23.686  4.0040  22.117  3.9124  1.568296       5.598099 
1 1 1 8   -35 6  o 20.939  3.1304  69.231    16.905    69.317    25.517    69.165    22.568    20.751  4.7000  21.127  4.1362  -0.3761768     6.260811 
1 1 1 8   -35 7  o 31.201  2.4978  143.661   20.465    148.543   30.082    139.455   27.923    31.629  3.6159  30.773  3.4469  0.8559532      4.995550 
1 1 1 8   -35 8  o 9.3937  2.8065  5.0603    11.868    2.2383    19.720    6.6628    14.860    9.5854  4.1553  9.2020  3.7734  0.3834352      5.612977 
1 1 1 8   -35 9  o 11.541  2.5775  13.224    12.531    -26.2589  19.947    38.963    16.105    7.1618  3.4564  15.921  3.8245  -8.759123      5.154944 
1 1 1 8   -35 10 o 12.571  3.3043  22.146    14.719    23.331    22.647    21.279    19.368    12.867  4.8388  12.275  4.5010  0.5914030      6.608506 
1 1 1 8   -35 11 o 22.651  3.0455  79.438    17.751    89.347    26.415    71.280    23.969    23.987  4.2679  21.314  4.3459  2.672586       6.091097 
1 1 1 8   -35 12 o 39.154  2.3694  224.928   24.513    210.401   35.239    238.548   34.120    37.743  3.5266  40.565  3.1653  -2.822117      4.738809 
1 1 1 8   -35 13 o 8.9599  2.7441  -1.2230   12.981    -18.4890  20.492    10.347    16.775    7.8030  3.6931  10.117  4.0598  -2.313785      5.488256 
1 1 1 8   -35 14 o 10.262  2.9727  8.8771    12.708    14.294    20.618    5.5589    16.137    11.260  4.5071  9.2629  3.8772  1.997169       5.945344 
1 1 1 8   -35 15 f 18.239  3.1338  51.845    16.046    81.613    24.112    28.181    21.498    22.972  4.0675  13.507  4.7685  9.465858       6.267565 
1 1 1 8   -35 16 o 27.446  2.7575  114.578   19.640    126.479   28.514    103.836   27.090    28.919  3.7710  25.973  4.0242  2.945688       5.514955 
1 1 1 8   -35 17 o 14.110  3.4668  30.367    16.291    43.087    24.542    20.347    21.782    16.004  5.0893  12.217  4.7088  3.787217       6.933542 
1 1 1 8   -35 18 o 14.973  3.4024  36.724    15.407    39.152    23.138    34.789    20.652    15.332  4.9486  14.613  4.6708  0.7195387      6.804791 
1 1 1 8   -35 19 o 12.768  3.1262  17.340    15.018    47.426    23.018    -4.9602   19.817    16.808  4.8463  8.7285  3.9503  8.079812       6.252352 
1 1 1 8   -35 20 o 28.577  2.8860  127.115   21.292    145.592   30.667    109.919   29.584    30.870  3.7883  26.283  4.3549  4.587265       5.772046 
1 1 1 8   -35 21 f 20.727  3.4095  71.500    18.574    81.476    27.399    63.017    25.266    22.158  4.7586  19.297  4.8840  2.861197       6.818951 
1 1 1 8   -35 22 o 32.390  2.8607  163.032   23.685    204.777   34.687    126.569   32.418    36.792  3.5645  27.988  4.4752  8.803873       5.721313 
1 1 1 8   -35 23 o 16.628  3.5696  46.964    18.016    66.914    26.725    30.345    24.392    19.623  5.0540  13.633  5.0423  5.989614       7.139224 
1 1 1 8   -35 24 o 16.829  3.6181  50.531    17.808    47.291    26.333    53.262    24.173    16.199  5.2831  17.459  4.9448  -1.259516      7.236125 
1 1 1 8   -35 25 o 21.466  3.4468  81.646    19.775    57.959    28.556    103.473   27.412    17.621  5.4741  25.311  4.1900  -7.689814      6.893564 
1 1 1 8   -35 26 o 19.400  3.4501  69.726    19.584    37.393    28.790    97.571    26.717    14.381  5.4449  24.418  4.2387  -10.03712      6.900280 
1 1 1 8   -35 27 o 11.276  3.3558  14.295    17.670    3.9716    26.132    22.990    23.983    10.330  4.6168  12.222  4.8715  -1.892243      6.711670 
1 1 1 8   -35 28 o 18.705  3.7247  66.152    19.709    80.666    28.851    53.454    26.986    20.827  5.1906  16.584  5.3434  4.242392       7.449442 
1 1 1 8   -35 29 o 12.819  3.5666  29.151    18.375    19.959    28.820    35.446    23.851    11.879  5.0851  13.759  5.0024  -1.879744      7.133147 
1 1 1 8   -35 30 o 14.575  3.8634  43.258    20.399    55.860    30.912    33.538    27.149    15.956  5.7089  13.193  5.2068  2.762820       7.726720 
1 1 1 8   -35 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -35 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -34 0  o 17.775  3.2729  50.462    15.735    55.715    23.029    45.862    21.551    18.647  4.6316  16.904  4.6255  1.743580       6.545750 
1 1 1 8   -34 1  o 10.487  2.9637  11.173    12.485    12.154    19.070    10.436    16.517    10.824  4.3339  10.149  4.0435  0.6751833      5.927331 
1 1 1 8   -34 2  o 20.241  3.1224  64.129    16.429    61.959    24.004    66.041    22.533    19.781  4.6148  20.701  4.2072  -0.9198608     6.244815 
1 1 1 8   -34 3  o 13.865  3.0746  29.563    13.671    14.305    20.832    41.106    18.119    11.431  4.5452  16.299  4.1418  -4.868630      6.149252 
1 1 1 8   -34 4  o 10.164  2.9278  9.0264    12.423    7.3710    19.539    10.150    16.095    10.267  4.2793  10.062  3.9970  0.2050257      5.855570 
1 1 1 8   -34 5  o 33.334  2.3512  160.490   20.674    171.572   30.352    150.898   28.238    34.404  3.3356  32.264  3.3146  2.139153       4.702465 
1 1 1 8   -34 6  o 24.184  2.7825  88.453    17.258    82.784    25.551    93.209    23.402    23.232  4.2632  25.136  3.5768  -1.904217      5.564964 
1 1 1 8   -34 7  o 11.905  2.9312  13.887    12.455    37.090    20.065    -0.6602   15.887    15.365  4.5519  8.4456  3.6944  6.919636       5.862422 
1 1 1 8   -34 8  o 21.722  2.8211  71.437    15.770    72.375    23.204    70.631    21.498    21.770  4.1304  21.674  3.8438  0.9539986E-01  5.642257 
1 1 1 8   -34 9  o 16.108  3.0059  37.213    13.466    59.947    21.652    22.873    17.196    19.708  4.2285  12.508  4.2733  7.200085       6.011752 
1 1 1 8   -34 10 o 32.920  2.4008  157.252   20.830    166.340   30.554    149.360   28.473    33.792  3.4230  32.049  3.3672  1.742977       4.801592 
1 1 1 8   -34 11 o 13.485  3.0887  25.837    12.670    37.330    20.365    18.578    16.184    15.389  4.5919  11.582  4.1322  3.806901       6.177409 
1 1 1 8   -34 12 o 9.4094  2.7116  3.2234    12.171    -18.2882  19.544    16.853    15.556    7.6431  3.6141  11.176  4.0435  -3.532722      5.423261 
1 1 1 8   -34 13 o 13.241  3.1452  26.343    13.020    26.045    20.682    26.539    16.757    13.266  4.6778  13.216  4.2056  0.4945278E-01  6.290370 
1 1 1 8   -34 14 o 14.830  2.8417  33.216    14.321    0.2468    21.439    59.777    19.243    9.7411  4.2756  19.919  3.7443  -10.17759      5.683353 
1 1 1 8   -34 15 o 36.600  2.4037  195.846   23.045    227.472   32.971    165.638   32.223    39.745  3.1222  33.455  3.6554  6.289814       4.807324 
1 1 1 8   -34 16 o 8.3093  2.5942  -4.1504   11.053    6.3985    18.210    -10.3032  13.907    9.8345  4.1178  6.7841  3.1564  3.050412       5.188391 
1 1 1 8   -34 17 o 18.715  3.2314  56.472    16.085    50.694    23.815    61.319    21.812    17.607  4.8805  19.822  4.2367  -2.214640      6.462861 
1 1 1 8   -34 18 o 19.436  3.2659  62.383    17.400    39.394    25.126    83.567    24.120    15.506  5.1657  23.367  3.9974  -7.861203      6.531718 
1 1 1 8   -34 19 o 23.253  3.1088  85.404    18.577    102.306   26.565    69.228    25.988    25.891  3.9562  20.616  4.7965  5.275139       6.217591 
1 1 1 8   -34 20 o 12.595  3.2646  22.498    15.059    10.958    22.474    31.903    20.288    11.044  4.5952  14.147  4.6383  -3.102084      6.529157 
1 1 1 8   -34 21 o 40.175  2.4177  239.421   25.591    212.337   36.268    266.277   36.115    37.641  3.6428  42.710  3.1797  -5.068375      4.835334 
1 1 1 8   -34 22 o 9.8668  2.9050  5.9097    13.511    -9.5346   21.396    16.152    17.424    8.6537  3.9872  11.080  4.2260  -2.426167      5.810065 
1 1 1 8   -34 23 o 10.778  3.1753  9.9187    15.024    16.736    23.452    5.1736    19.566    11.786  4.7753  9.7713  4.1865  2.014378       6.350555 
1 1 1 8   -34 24 o 15.976  3.4538  43.592    16.565    33.250    23.915    53.129    22.966    14.177  5.0268  17.775  4.7378  -3.598149      6.907602 
1 1 1 8   -34 25 o 16.820  3.5404  49.768    17.694    37.118    26.055    60.595    24.104    14.707  5.2434  18.932  4.7587  -4.224960      7.080843 
1 1 1 8   -34 26 o 18.206  3.5574  57.139    18.455    77.126    27.327    40.382    25.022    21.234  4.9037  15.177  5.1549  6.057119       7.114747 
1 1 1 8   -34 27 o 21.327  3.3107  83.223    19.905    37.283    29.377    122.210   27.063    14.549  5.5022  28.105  3.6838  -13.55607      6.621491 
1 1 1 8   -34 28 o 6.9478  2.3981  -32.2707  14.943    -51.9045  23.372    -18.6961  19.434    6.5283  3.2600  7.3673  3.5178  -0.8389983     4.796143 
1 1 1 8   -34 29 o 11.406  3.3904  15.515    17.497    13.220    26.985    17.181    22.983    11.368  4.8945  11.444  4.6928  -0.7584286E-01 6.780713 
1 1 1 8   -34 30 o 12.190  3.5164  22.522    18.115    21.879    26.653    23.074    24.695    12.170  5.0288  12.209  4.9165  -0.3981686E-01 7.032892 
1 1 1 8   -34 31 o 9.1897  2.8954  -3.3416   15.744    -27.5086  24.039    14.811    20.834    7.6489  3.7162  10.730  4.4411  -3.081586      5.790834 
1 1 1 8   -34 32 o 10.225  3.1849  7.8547    17.333    -2.8139   26.416    15.921    22.970    9.5303  4.4048  10.921  4.6014  -1.390296      6.369873 
1 1 1 8   -34 33 o 14.745  3.7667  44.923    19.331    60.048    29.016    32.853    25.921    16.561  5.5515  12.929  5.0925  3.631909       7.533381 
1 1 1 8   -34 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -33 0  o 10.029  2.4878  -6.7382   11.015    33.701    17.677    -32.4048  14.083    14.814  4.2399  5.2433  2.6039  9.570705       4.975674 
1 1 1 8   -33 1  o 14.921  2.9769  34.374    13.404    17.345    19.687    49.091    18.302    11.815  4.4955  18.027  3.9035  -6.211762      5.953768 
1 1 1 8   -33 2  o 14.211  3.0727  30.917    12.796    28.386    19.283    32.907    17.104    13.749  4.5227  14.673  4.1606  -0.9242249     6.145376 
1 1 1 8   -33 3  o 28.143  2.4525  115.082   18.058    115.794   26.396    114.456   24.758    28.155  3.5812  28.132  3.3517  0.2344704E-01  4.905021 
1 1 1 8   -33 4  o 27.377  2.5158  110.008   17.845    100.462   26.015    118.490   24.523    26.052  3.8436  28.701  3.2471  -2.648874      5.031589 
1 1 1 8   -33 5  o 20.005  2.8118  60.311    14.509    58.212    21.138    62.181    19.951    19.568  4.1609  20.442  3.7832  -0.8731270     5.623658 
1 1 1 8   -33 6  o 27.635  2.5164  113.484   17.648    92.328    26.054    131.422   23.990    24.853  4.0535  30.418  2.9830  -5.564371      5.032816 
1 1 1 8   -33 7  o 20.287  2.9603  62.281    15.418    63.280    23.592    61.536    20.370    20.278  4.4645  20.296  3.8885  -0.1869965E-01 5.920524 
1 1 1 8   -33 8  o 15.061  3.0910  34.794    13.145    33.137    20.242    36.003    17.285    14.737  4.6138  15.386  4.1145  -0.6486959     6.181922 
1 1 1 8   -33 9  o 49.064  2.1838  340.760   28.540    353.967   40.992    328.336   39.760    50.000  3.0758  48.128  3.1008  1.871437       4.367569 
1 1 1 8   -33 10 o 24.579  2.6855  88.599    16.571    121.412   24.547    61.129    22.460    29.132  3.1985  20.025  4.3148  9.107088       5.371001 
1 1 1 8   -33 11 o 30.081  2.4635  130.557   19.237    155.473   27.948    108.124   26.519    32.999  3.2023  27.164  3.7444  5.835722       4.926980 
1 1 1 8   -33 12 o 32.370  2.3630  150.766   20.136    143.643   28.980    157.415   27.997    31.526  3.4905  33.215  3.1861  -1.688387      4.725965 
1 1 1 8   -33 13 o 9.0216  2.7422  1.4733    11.934    -3.9118   18.882    5.0552    15.400    8.8545  3.9432  9.1887  3.8118  -0.3342342     5.484468 
1 1 1 8   -33 14 o 21.972  2.8745  72.120    16.263    78.617    23.945    66.557    22.157    22.916  4.0492  21.028  4.0810  1.887680       5.748978 
1 1 1 8   -33 15 o 27.225  2.6689  109.027   18.923    109.277   27.308    108.796   26.246    27.204  3.8556  27.245  3.6916  -0.4115105E-01 5.337896 
1 1 1 8   -33 16 o 17.833  3.0640  50.726    15.732    23.168    22.928    75.242    21.625    13.099  4.8799  22.566  3.7065  -9.466883      6.127972 
1 1 1 8   -33 17 o 16.643  3.3147  43.766    15.678    34.497    22.648    52.295    21.726    14.946  4.9007  18.340  4.4646  -3.393728      6.629491 
1 1 1 8   -33 18 o 28.729  2.5799  121.208   19.393    126.294   27.734    116.341   27.128    29.355  3.6029  28.102  3.6936  1.253475       5.159787 
1 1 1 8   -33 19 o 48.193  2.2409  332.816   28.764    334.798   40.604    330.819   40.754    48.354  3.1523  48.032  3.1858  0.3219948      4.481799 
1 1 1 8   -33 20 o 26.299  2.9819  106.455   20.036    89.828    28.778    122.095   27.911    23.906  4.6617  28.691  3.7195  -4.784212      5.963799 
1 1 1 8   -33 21 o 20.028  3.2984  65.588    17.742    45.858    25.816    83.246    24.423    16.688  5.2083  23.367  4.0488  -6.679831      6.596857 
1 1 1 8   -33 22 o 24.141  3.0645  92.575    18.734    66.727    26.816    117.218   26.184    20.163  4.9918  28.118  3.5562  -7.954681      6.129005 
1 1 1 8   -33 23 o 9.8090  3.0091  2.9388    14.526    2.0947    22.284    3.5626    19.156    10.017  4.3788  9.6008  4.1286  0.4163265      6.018258 
1 1 1 8   -33 24 o 7.8303  2.5977  -14.8448  13.609    -10.7255  20.723    -17.9688  18.046    8.4395  3.9009  7.2211  3.4316  1.218428       5.195489 
1 1 1 8   -33 25 o 41.357  2.3851  253.089   26.177    252.513   37.554    253.634   36.508    41.244  3.4306  41.469  3.3145  -0.2251587     4.770162 
1 1 1 8   -33 26 o 18.516  3.4722  57.817    17.519    64.640    25.628    51.832    24.002    19.571  4.9001  17.461  4.9209  2.110123       6.944488 
1 1 1 8   -33 27 o 23.442  3.2163  89.065    19.408    109.849   28.765    71.694    26.296    26.281  4.2298  20.604  4.8462  5.677053       6.432523 
1 1 1 8   -33 28 o 18.989  3.4014  65.094    18.698    36.241    28.121    87.958    25.034    14.502  5.4041  23.476  4.1321  -8.973461      6.802822 
1 1 1 8   -33 29 o 27.828  3.0842  127.151   21.877    111.769   32.171    140.384   29.839    25.647  4.8611  30.010  3.7972  -4.362715      6.168334 
1 1 1 8   -33 30 o 32.829  2.6785  168.348   23.075    181.493   33.340    156.261   31.970    34.167  3.7023  31.492  3.8717  2.675278       5.356969 
1 1 1 8   -33 31 o 12.577  3.4786  23.259    17.251    36.420    25.961    12.853    23.086    14.230  5.2121  10.923  4.6083  3.306982       6.957167 
1 1 1 8   -33 32 o 11.971  3.3064  14.526    17.229    43.741    25.610    -9.6245   23.285    15.221  5.2149  8.7207  4.0664  6.499964       6.612880 
1 1 1 8   -33 33 o 16.622  3.6982  52.451    19.291    75.159    28.601    33.497    26.130    19.781  5.2938  13.463  5.1656  6.318071       7.396465 
1 1 1 8   -33 34 o 13.138  3.5789  32.126    18.195    22.383    25.889    41.637    25.578    11.838  4.9292  14.439  5.1901  -2.601013      7.157836 
1 1 1 8   -33 35 o 11.529  3.3665  19.017    17.716    37.778    25.889    2.4928    24.296    13.549  5.1553  9.5087  4.3310  4.040247       6.733069 
1 1 1 8   -33 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -32 0  o 14.670  3.0591  32.093    13.034    40.984    19.100    24.345    17.831    16.369  4.3005  12.970  4.3518  3.399384       6.118243 
1 1 1 8   -32 1  o 28.984  2.3832  121.547   17.943    105.494   25.711    136.788   25.052    26.911  3.6621  31.056  3.0510  -4.145153      4.766477 
1 1 1 8   -32 2  o 10.436  2.6894  11.803    10.776    -2.1947   16.439    22.349    14.269    8.4812  3.7327  12.392  3.8727  -3.910633      5.378776 
1 1 1 8   -32 3  o 23.395  2.6879  81.348    16.024    68.899    23.451    92.250    21.946    21.424  4.2369  25.367  3.3087  -3.943295      5.375737 
1 1 1 8   -32 4  o 39.057  2.1829  215.258   22.626    209.772   32.433    220.458   31.579    38.515  3.1721  39.599  2.9996  -1.083706      4.365766 
1 1 1 8   -32 5  o 21.119  2.7870  66.142    15.114    61.958    22.250    69.727    20.596    20.345  4.2213  21.893  3.6401  -1.547457      5.574019 
1 1 1 8   -32 6  o 16.005  2.6935  34.205    13.438    71.453    20.185    4.5550    18.008    22.245  3.5035  9.7646  4.0921  12.48054       5.387046 
1 1 1 8   -32 7  o 36.493  2.2510  188.725   21.648    172.898   31.279    203.276   29.991    34.886  3.3902  38.100  2.9621  -3.214233      4.501996 
1 1 1 8   -32 8  o 33.517  2.2961  158.408   20.247    179.838   29.391    139.053   27.932    35.764  3.0988  31.271  3.3891  4.493013       4.592231 
1 1 1 8   -32 9  o 10.398  2.3829  7.9874    10.630    -26.1789  17.001    29.922    13.622    6.5163  3.1563  14.279  3.5709  -7.762973      4.765831 
1 1 1 8   -32 10 o 26.463  2.5026  100.541   17.253    96.528    24.824    104.291   23.996    25.872  3.6865  27.053  3.3857  -1.180876      5.005264 
1 1 1 8   -32 11 o 9.7094  2.7748  5.8623    10.967    13.186    17.856    1.4264    13.896    11.067  4.2641  8.3517  3.5518  2.715413       5.549591 
1 1 1 8   -32 12 o 31.653  2.3590  143.064   19.507    128.543   28.344    156.131   26.889    29.957  3.6048  33.348  3.0439  -3.390820      4.718032 
1 1 1 8   -32 13 o 48.531  3.0322  329.425   39.218    0.0000    0.0000    329.425   39.218    ?       ?       48.531  3.0322  ?              ?        
1 1 1 8   -32 14 o 30.601  3.4753  133.615   27.980    0.0000    0.0000    133.615   27.980    ?       ?       30.601  3.4753  ?              ?        
1 1 1 8   -32 15 o 18.497  4.2869  51.387    20.824    0.0000    0.0000    51.387    20.824    ?       ?       18.497  4.2869  ?              ?        
1 1 1 8   -32 16 o 18.719  4.3509  52.845    21.400    0.0000    0.0000    52.845    21.400    ?       ?       18.719  4.3509  ?              ?        
1 1 1 8   -32 17 o 30.256  3.3626  130.606   26.790    0.0000    0.0000    130.606   26.790    ?       ?       30.256  3.3626  ?              ?        
1 1 1 8   -32 18 o 34.575  3.4123  170.757   31.189    0.0000    0.0000    170.757   31.189    ?       ?       34.575  3.4123  ?              ?        
1 1 1 8   -32 19 o 13.783  3.3819  26.344    15.510    35.549    22.625    18.184    21.303    15.298  4.8888  12.267  4.6743  3.031221       6.763778 
1 1 1 8   -32 20 o 33.391  2.4008  160.098   21.099    174.650   30.025    145.902   29.655    35.001  3.2394  31.780  3.5441  3.220402       4.801513 
1 1 1 8   -32 21 o 19.505  3.2145  59.970    16.784    42.770    24.274    75.727    23.233    16.492  5.0342  22.518  3.9986  -6.025675      6.428994 
1 1 1 8   -32 22 o 39.174  2.3280  220.256   24.159    235.429   34.393    205.477   33.943    40.594  3.1888  37.755  3.3927  2.838497       4.656038 
1 1 1 8   -32 23 o 36.179  2.3942  189.463   22.931    189.305   32.569    189.617   32.290    36.150  3.4038  36.208  3.3680  -0.5815506E-01 4.788453 
1 1 1 8   -32 24 o 20.025  3.2142  63.455    16.895    55.227    24.178    71.307    23.619    18.539  4.8232  21.512  4.2499  -2.973001      6.428421 
1 1 1 8   -32 25 o 17.561  3.4213  50.348    16.672    45.787    24.362    54.366    22.865    16.708  5.0307  18.414  4.6384  -1.705404      6.842680 
1 1 1 8   -32 26 o 14.515  3.2732  32.939    15.758    13.626    23.246    49.358    21.434    11.523  4.7217  17.508  4.5346  -5.985172      6.546479 
1 1 1 8   -32 27 o 12.382  3.3601  21.037    15.921    13.386    24.149    26.918    21.174    11.533  4.7779  13.232  4.7258  -1.698929      6.720266 
1 1 1 8   -32 28 o 21.683  3.3171  77.924    18.652    70.648    27.725    83.941    25.210    20.352  5.0971  23.014  4.2462  -2.661921      6.634102 
1 1 1 8   -32 29 o 20.678  3.3265  71.275    17.969    70.985    26.465    71.524    24.476    20.464  4.8943  20.891  4.5065  -0.4270325     6.652971 
1 1 1 8   -32 30 o 15.997  3.4785  43.340    16.863    59.339    24.916    29.817    22.907    18.504  4.9361  13.489  4.9027  5.015394       6.957075 
1 1 1 8   -32 31 o 19.976  3.4778  70.191    18.645    59.691    27.093    79.637    25.698    18.120  5.2675  21.832  4.5425  -3.712381      6.955620 
1 1 1 8   -32 32 o 9.5069  2.9292  -3.9890   14.939    19.820    22.552    -22.6048  19.942    11.807  4.7181  7.2070  3.4727  4.599746       5.858360 
1 1 1 8   -32 33 o 13.431  3.5648  31.270    17.519    26.314    25.860    35.474    23.816    12.771  5.0686  14.090  5.0142  -1.319088      7.129693 
1 1 1 8   -32 34 o 28.526  3.1141  136.306   22.624    168.659   33.095    107.921   30.999    32.342  3.8990  24.710  4.8568  7.631844       6.228246 
1 1 1 8   -32 35 o 29.779  3.0245  150.889   23.124    135.342   33.602    164.875   31.870    27.683  4.6998  31.876  3.8081  -4.193830      6.048967 
1 1 1 8   -32 36 o 10.732  3.3072  13.357    17.852    13.507    25.615    13.216    24.893    10.778  4.7033  10.687  4.6507  0.9083939E-01  6.614416 
1 1 1 8   -32 37 o 10.815  3.3353  15.386    18.289    23.699    26.584    7.9156    25.200    11.640  4.9297  9.9898  4.4939  1.649947       6.670623 
1 1 1 8   -32 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -31 0  o 17.649  2.9824  46.644    13.837    47.024    20.855    46.346    18.494    17.640  4.4222  17.657  4.0028  -0.1641083E-01 5.964783 
1 1 1 8   -31 1  f 14.505  2.9288  31.367    11.952    28.069    18.231    33.853    15.828    13.882  4.3834  15.129  3.8855  -1.247358      5.857580 
1 1 1 8   -31 2  o 13.798  2.9829  27.950    12.118    23.671    18.431    31.208    16.082    13.051  4.4242  14.546  4.0021  -1.495631      5.965769 
1 1 1 8   -31 3  o 38.756  2.1187  209.331   21.814    217.259   31.204    201.753   30.508    39.489  2.9719  38.023  3.0205  1.466690       4.237397 
1 1 1 8   -31 4  f 12.230  2.9584  19.948    12.002    12.249    17.853    26.296    16.212    10.968  4.2532  13.492  4.1132  -2.523273      5.916740 
1 1 1 8   -31 5  f 36.940  2.5925  197.593   23.802    178.927   39.699    208.069   29.741    35.156  4.3060  38.724  2.8882  -3.567963      5.184901 
1 1 1 8   -31 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -31 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -31 8  o 7.8627  3.5984  -10.2231  17.030    -10.2231  17.030    0.0000    0.0000    7.8627  3.5984  ?       ?       ?              ?        
1 1 1 8   -31 9  o 35.922  2.1629  179.304   20.582    192.434   29.609    167.027   28.631    37.229  2.9947  34.615  3.1217  2.613644       4.325821 
1 1 1 8   -31 10 o 22.331  2.7289  71.578    15.653    84.451    22.852    60.199    21.484    24.347  3.6138  20.314  4.0901  4.033741       5.457892 
1 1 1 8   -31 11 o 34.842  2.2550  169.975   20.592    197.860   29.406    143.143   28.845    37.786  2.9284  31.899  3.4300  5.886616       4.509972 
1 1 1 8   -31 12 o 29.743  2.3425  124.617   18.248    112.618   25.920    136.407   25.694    28.224  3.5041  31.263  3.1096  -3.038935      4.684955 
1 1 1 8   -31 13 o 48.116  2.1051  320.686   26.993    326.779   38.150    314.578   38.196    48.593  2.9451  47.640  3.0088  0.9522324      4.210247 
1 1 1 8   -31 14 o 21.302  2.9210  67.198    16.122    104.542   23.563    34.328    22.106    27.250  3.2952  15.353  4.8241  11.89776       5.842094 
1 1 1 8   -31 15 o 52.066  2.1147  375.962   29.350    387.460   41.337    364.272   41.680    52.908  2.9284  51.224  3.0517  1.683655       4.229434 
1 1 1 8   -31 16 o 12.305  3.0903  18.883    12.804    25.055    19.352    14.079    17.075    13.446  4.5336  11.164  4.2009  2.282529       6.180695 
1 1 1 8   -31 17 o 20.897  2.7829  63.339    14.976    72.663    21.855    55.083    20.563    22.438  3.7702  19.355  4.0943  3.082926       5.565757 
1 1 1 8   -31 18 o 12.694  3.1237  21.698    13.133    16.758    19.916    25.500    17.470    12.016  4.5337  13.371  4.2983  -1.354993      6.247393 
1 1 1 8   -31 19 o 27.689  2.4693  109.622   17.776    121.957   25.068    97.147    25.211    29.396  3.2375  25.983  3.7295  3.413174       4.938673 
1 1 1 8   -31 20 o 28.978  2.4032  119.459   18.263    127.316   25.929    111.724   25.727    29.991  3.2813  27.966  3.5120  2.025192       4.806388 
1 1 1 8   -31 21 o 14.684  3.1780  31.426    14.507    16.960    20.889    44.903    20.162    12.108  4.6251  17.259  4.3599  -5.150836      6.356073 
1 1 1 8   -31 22 o 43.280  3.1676  264.189   36.465    264.189   36.465    0.0000    0.0000    43.280  3.1676  ?       ?       ?              ?        
1 1 1 8   -31 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -31 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -31 25 o 29.079  3.6670  123.678   27.927    0.0000    0.0000    123.678   27.927    ?       ?       29.079  3.6670  ?              ?        
1 1 1 8   -31 26 o 45.216  2.2411  292.217   26.954    305.009   38.871    280.370   37.407    46.178  3.1617  44.253  3.1770  1.925220       4.482194 
1 1 1 8   -31 27 o 36.224  2.3794  191.643   22.663    173.157   32.539    209.061   31.584    34.311  3.5939  38.137  3.1192  -3.826340      4.758787 
1 1 1 8   -31 28 o 25.384  3.0552  102.567   19.176    157.271   27.886    53.497    26.411    32.888  3.2064  17.880  5.2016  15.00807       6.110470 
1 1 1 8   -31 29 o 27.820  2.7199  117.681   19.699    117.476   28.523    117.867   27.238    27.704  3.9562  27.935  3.7337  -0.2314625     5.439829 
1 1 1 8   -31 30 f 10.849  3.0485  9.7871    14.906    -12.6117  22.837    26.413    19.675    8.6843  4.0419  13.015  4.5646  -4.330251      6.096938 
1 1 1 8   -31 31 o 8.9236  2.8484  -3.4719   14.370    -6.0962   22.096    -1.5483   18.917    9.0197  4.1167  8.8275  3.9379  0.1921225      5.696899 
1 1 1 8   -31 32 o 27.111  2.8382  116.067   19.977    120.735   28.778    111.724   27.754    27.655  4.0013  26.567  4.0263  1.087317       5.676449 
1 1 1 8   -31 33 o 17.953  3.5628  57.755    18.041    48.707    25.543    66.761    25.484    16.354  5.1912  19.551  4.8813  -3.196548      7.125691 
1 1 1 8   -31 34 o 13.349  3.5533  30.474    17.296    28.442    25.871    32.116    23.258    13.094  5.1081  13.604  4.9408  -0.5104342     7.106583 
1 1 1 8   -31 35 f 16.411  3.6138  49.102    18.339    68.791    27.065    32.390    24.935    19.303  5.1424  13.520  5.0787  5.782746       7.227559 
1 1 1 8   -31 36 o 9.5247  3.0205  2.0925    15.959    0.7735    23.256    3.2664    21.940    9.5034  4.2921  9.5461  4.2509  -0.4267025E-01 6.040930 
1 1 1 8   -31 37 o 26.057  3.4031  122.847   22.736    148.892   32.999    99.311    31.369    29.421  4.3157  22.693  5.2630  6.727648       6.806234 
1 1 1 8   -31 38 o 9.0249  2.9616  -3.4534   17.170    -7.0217   24.183    0.1734    24.381    8.7360  4.0963  9.3138  4.2783  -0.5778446     5.923120 
1 1 1 8   -31 39 o 10.369  4.6371  13.079    26.410    13.079    26.410    0.0000    0.0000    10.369  4.6371  ?       ?       ?              ?        
1 1 1 8   -30 0  o 7.2597  2.3387  -7.8715   9.9613    -8.0584   14.978    -7.7233   13.339    7.4939  3.4084  7.0254  3.2034  0.4685283      4.677485 
1 1 1 8   -30 1  o 26.044  3.3783  95.673    23.011    0.0000    0.0000    95.673    23.011    ?       ?       26.044  3.3783  ?              ?        
1 1 1 8   -30 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -30 3  o 23.870  2.5189  81.047    15.309    101.490   22.134    62.300    21.196    26.966  3.1222  20.774  3.9537  6.191549       5.037840 
1 1 1 8   -30 4  o 19.088  2.6487  52.316    13.053    56.727    18.759    48.175    18.176    19.913  3.6516  18.262  3.8377  1.651361       5.297398 
1 1 1 8   -30 5  o 11.777  2.7101  16.161    10.411    30.163    15.967    5.8064    13.730    14.451  3.9926  9.1027  3.6658  5.348200       5.420282 
1 1 1 8   -30 6  o 11.782  2.8131  14.689    11.034    30.574    17.637    4.4716    14.144    14.578  4.2534  8.9859  3.6827  5.592340       5.626173 
1 1 1 8   -30 7  o 51.872  2.0689  369.630   28.610    388.187   40.929    351.898   40.008    53.166  2.8849  50.577  2.9662  2.589130       4.137798 
1 1 1 8   -30 8  o 22.539  2.5140  71.203    14.547    86.155    21.612    58.817    19.671    24.794  3.3394  20.285  3.7588  4.508566       5.027911 
1 1 1 8   -30 9  o 48.940  2.0174  328.669   26.322    339.656   37.483    317.979   36.972    49.761  2.8239  48.119  2.8819  1.642612       4.034786 
1 1 1 8   -30 10 o 25.759  2.4578  93.534    16.415    83.244    23.322    103.637   23.108    24.247  3.7089  27.272  3.2259  -3.024763      4.915540 
1 1 1 8   -30 11 o 44.810  2.0392  275.905   24.338    268.253   34.327    283.640   34.512    44.170  2.9179  45.451  2.8493  -1.281197      4.078314 
1 1 1 8   -30 12 o 50.740  2.0643  353.758   27.930    344.429   39.457    363.128   39.541    50.052  2.9563  51.429  2.8821  -1.377769      4.128661 
1 1 1 8   -30 13 o 13.886  3.0950  26.916    12.840    29.524    18.926    24.693    17.478    14.420  4.4527  13.351  4.3000  1.068502       6.190063 
1 1 1 8   -30 14 o 30.434  2.3089  129.104   18.501    122.643   26.223    135.507   26.106    29.632  3.3635  31.236  3.1639  -1.603418      4.617730 
1 1 1 8   -30 15 f 29.856  2.3239  124.335   18.272    127.393   25.922    121.315   25.761    30.237  3.2517  29.475  3.3209  0.7622261      4.647803 
1 1 1 8   -30 16 o 82.534  2.3168  940.741   51.206    948.739   71.870    932.495   72.976    82.921  3.2359  82.147  3.3166  0.7739182      4.633694 
1 1 1 8   -30 17 o 47.347  2.1474  310.062   26.937    271.548   37.716    350.166   38.486    44.250  3.2038  50.445  2.8601  -6.195251      4.294758 
1 1 1 8   -30 18 o 55.701  2.1039  427.621   31.232    398.222   43.484    458.948   44.888    53.687  3.0364  57.715  2.9131  -4.028492      4.207836 
1 1 1 8   -30 19 o 15.505  3.0050  35.214    13.819    17.316    20.099    51.258    19.030    12.219  4.5657  18.791  3.9083  -6.571540      6.010007 
1 1 1 8   -30 20 o 11.145  3.0470  12.204    13.011    16.703    18.775    8.0475    18.047    11.906  4.4198  10.384  4.1954  1.522318       6.093939 
1 1 1 8   -30 21 o 37.936  2.2723  202.783   22.513    239.974   31.839    165.596   31.838    41.623  2.8735  34.248  3.5208  7.374516       4.544538 
1 1 1 8   -30 22 f 19.693  3.1041  56.752    15.979    71.060    23.996    45.352    21.419    21.984  4.2287  17.403  4.5454  4.580229       6.208294 
1 1 1 8   -30 23 o 37.769  2.2289  200.030   22.340    203.548   31.735    196.574   31.455    38.108  3.1370  37.429  3.1673  0.6783562      4.457808 
1 1 1 8   -30 24 o 47.073  2.1624  310.197   27.111    308.132   38.630    312.200   38.057    46.895  3.0929  47.251  3.0229  -0.3562431     4.324767 
1 1 1 8   -30 25 o 23.819  2.8398  83.062    17.427    92.305    25.697    75.190    23.714    25.096  3.9537  22.542  4.0775  2.553423       5.679624 
1 1 1 8   -30 26 o 11.657  3.3001  12.512    15.517    8.1218    20.403    18.536    23.899    10.674  4.4044  12.641  4.9156  -1.967513      6.600152 
1 1 1 8   -30 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -30 28 o 7.7594  3.6846  -21.1946  20.729    0.0000    0.0000    -21.1946  20.729    ?       ?       7.7594  3.6846  ?              ?        
1 1 1 8   -30 29 o 17.884  3.3829  51.230    16.836    63.601    24.021    39.285    23.604    20.092  4.5670  15.676  4.9917  4.416219       6.765715 
1 1 1 8   -30 30 o 31.446  2.6950  150.354   21.466    114.592   30.599    185.006   30.120    27.174  4.3508  35.717  3.1817  -8.542780      5.390060 
1 1 1 8   -30 31 o 21.534  3.2318  74.175    18.043    84.258    26.652    65.644    24.515    22.975  4.4919  20.092  4.6476  2.882492       6.463593 
1 1 1 8   -30 32 o 20.472  3.3297  69.473    17.894    65.128    25.416    73.743    25.196    19.692  4.8505  21.251  4.5629  -1.558300      6.659378 
1 1 1 8   -30 33 o 15.170  3.4622  39.637    16.343    31.354    23.898    46.915    22.400    13.778  5.0076  16.563  4.7823  -2.785039      6.924331 
1 1 1 8   -30 34 o 20.069  3.2869  69.232    17.878    93.729    25.549    45.728    25.026    24.183  4.0903  15.955  5.1462  8.227401       6.573764 
1 1 1 8   -30 35 o 12.574  3.0347  16.242    15.848    51.786    22.518    -18.6451  22.309    17.186  4.7387  7.9615  3.7926  9.224566       6.069484 
1 1 1 8   -30 36 o 8.9591  2.9123  -6.1285   16.069    -0.2351   23.106    -11.6481  22.361    9.4989  4.2853  8.4193  3.9450  1.079635       5.824659 
1 1 1 8   -30 37 o 25.498  3.3741  115.184   22.044    95.936    31.507    133.641   30.852    22.631  5.2923  28.365  4.1867  -5.734076      6.748125 
1 1 1 8   -30 38 o 12.512  3.4271  21.509    18.562    -5.2121   25.824    50.072    26.699    9.2921  4.3159  15.732  5.3249  -6.439863      6.854290 
1 1 1 8   -30 39 o 24.320  3.5778  113.314   22.511    111.933   32.807    114.542   30.946    23.829  5.2790  24.810  4.8305  -0.9809532     7.155535 
1 1 1 8   -30 40 o 9.9764  3.1951  7.7883    18.372    1.7989    25.193    14.592    26.852    9.3634  4.3185  10.589  4.7100  -1.226082      6.390119 
1 1 1 8   -30 41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -29 0  o 30.473  2.1719  128.781   17.468    134.824   24.732    122.765   24.675    31.219  2.9945  29.728  3.1467  1.491062       4.343794 
1 1 1 8   -29 1  o 15.949  2.7604  37.283    12.104    23.227    17.433    50.367    16.820    13.065  4.3004  18.833  3.4620  -5.767484      5.520718 
1 1 1 8   -29 2  o 54.045  2.0442  400.262   29.482    400.348   41.908    400.178   41.482    54.044  2.9057  54.045  2.8759  -0.1071930E-02 4.088304 
1 1 1 8   -29 3  o 32.598  2.0794  146.281   17.956    147.872   25.717    144.767   25.083    32.766  2.9623  32.430  2.9189  0.3354645      4.158706 
1 1 1 8   -29 4  o 39.215  2.0410  211.060   21.234    229.017   30.229    193.570   29.834    40.905  2.7754  37.524  2.9932  3.381184       4.081964 
1 1 1 8   -29 5  o 42.366  2.0351  245.800   22.950    248.247   32.904    243.482   32.026    42.564  2.9035  42.168  2.8523  0.3957100      4.070127 
1 1 1 8   -29 6  o 27.800  2.1580  106.641   15.793    111.813   22.785    101.858   21.909    28.459  3.0359  27.140  3.0677  1.319294       4.316016 
1 1 1 8   -29 7  o 43.226  2.0328  256.240   23.340    237.758   33.188    274.327   32.832    41.634  2.9960  44.817  2.7483  -3.183044      4.065612 
1 1 1 8   -29 8  o 41.947  2.0152  240.486   22.489    253.911   32.352    227.934   31.284    43.093  2.8184  40.801  2.8811  2.292419       4.030440 
1 1 1 8   -29 9  o 11.878  2.6579  18.087    10.529    3.7167    15.685    29.875    14.206    9.2994  3.8515  14.457  3.6638  -5.157971      5.315753 
1 1 1 8   -29 10 o 54.083  2.0466  399.842   29.526    387.270   41.766    412.403   41.747    53.213  2.9418  54.953  2.8460  -1.740570      4.093118 
1 1 1 8   -29 11 o 25.610  2.3637  91.442    15.786    84.950    22.338    97.919    22.312    24.647  3.4805  26.574  3.1990  -1.927090      4.727361 
1 1 1 8   -29 12 o 55.917  2.0494  426.689   30.608    403.473   42.828    450.928   43.760    54.305  2.9555  57.530  2.8399  -3.225178      4.098782 
1 1 1 8   -29 13 o 73.165  2.1754  731.916   42.619    746.588   60.008    716.981   60.541    73.927  3.0305  72.403  3.1218  1.524117       4.350793 
1 1 1 8   -29 14 o 48.949  2.1110  328.671   27.511    345.546   38.812    311.631   39.001    50.250  2.8959  47.648  3.0723  2.602131       4.222001 
1 1 1 8   -29 15 o 83.721  2.2946  961.218   51.455    962.832   72.589    959.587   72.950    83.798  3.2340  83.643  3.2561  0.1547089      4.589285 
1 1 1 8   -29 16 o 59.782  2.0852  489.116   33.321    499.606   46.912    478.435   47.338    60.486  2.8956  59.078  3.0014  1.408562       4.170480 
1 1 1 8   -29 17 o 63.379  2.0915  549.231   35.493    529.355   49.801    569.750   50.599    62.200  2.9892  64.558  2.9262  -2.358166      4.183074 
1 1 1 8   -29 18 f 19.799  2.8984  58.537    14.998    34.652    21.562    80.926    20.876    15.558  4.7438  24.039  3.3317  -8.481349      5.796883 
1 1 1 8   -29 19 o 70.223  2.1433  676.292   40.311    667.948   56.593    684.886   57.432    69.785  3.0277  70.661  3.0345  -0.8755035     4.286631 
1 1 1 8   -29 20 o 20.123  2.9642  58.748    15.457    57.630    21.987    59.839    21.733    19.911  4.2521  20.335  4.1311  -0.4239311     5.928417 
1 1 1 8   -29 21 o 26.474  2.4893  98.576    17.195    104.627   24.891    93.053    23.782    27.273  3.4872  25.675  3.5534  1.598557       4.978645 
1 1 1 8   -29 22 o 56.766  2.0740  443.826   31.434    469.387   44.613    418.624   44.298    58.470  2.8487  55.062  3.0151  3.408131       4.147964 
1 1 1 8   -29 23 o 31.253  2.3497  137.404   19.265    124.717   27.471    149.682   27.024    29.731  3.5179  32.774  3.1160  -3.043005      4.699427 
1 1 1 8   -29 24 o 15.052  3.1606  33.247    14.188    21.629    20.837    43.288    19.371    12.990  4.6829  17.115  4.2461  -4.124264      6.321292 
1 1 1 8   -29 25 o 15.956  3.1643  37.896    14.553    25.612    20.902    49.451    20.274    13.646  4.7094  18.265  4.2277  -4.618290      6.328642 
1 1 1 8   -29 26 o 20.084  3.0789  61.031    16.245    43.132    23.039    78.729    22.908    16.870  4.8440  23.299  3.8020  -6.428944      6.157860 
1 1 1 8   -29 27 o 39.907  2.2235  224.233   23.538    223.720   34.196    224.696   32.449    39.807  3.2352  40.007  3.0512  -0.1998749     4.447014 
1 1 1 8   -29 28 o 31.341  2.4432  140.577   20.093    156.217   29.082    126.291   27.794    33.096  3.3256  29.586  3.5802  3.510099       4.886468 
1 1 1 8   -29 29 o 11.260  4.6947  8.8810    23.527    8.8810    23.527    0.0000    0.0000    11.260  4.6947  ?       ?       ?              ?        
1 1 1 8   -29 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -29 31 o 19.293  3.3162  61.626    17.679    38.489    26.231    80.885    23.931    15.503  5.2779  23.082  4.0166  -7.579000      6.632445 
1 1 1 8   -29 32 o 9.5865  2.8671  -2.5194   14.038    -22.2917  19.560    18.480    20.158    7.3142  3.5024  11.859  4.5402  -4.544705      5.734150 
1 1 1 8   -29 33 o 11.270  3.1962  13.076    15.297    24.063    21.379    1.5506    21.897    12.729  4.7182  9.8102  4.3131  2.919297       6.392478 
1 1 1 8   -29 34 o 20.965  3.2779  74.643    18.143    54.158    26.340    93.136    25.027    17.529  5.2204  24.400  3.9655  -6.871016      6.555766 
1 1 1 8   -29 35 o 7.7740  2.5678  -24.3932  14.663    -57.6206  21.579    4.1036    19.984    5.9612  2.9982  9.5868  4.1695  -3.625531      5.135571 
1 1 1 8   -29 36 o 13.729  3.3737  27.080    17.220    55.839    25.483    2.9153    23.359    17.536  5.1117  9.9228  4.4042  7.612747       6.747361 
1 1 1 8   -29 37 o 12.989  3.5412  28.427    17.434    27.504    24.739    29.338    24.572    12.861  5.0012  13.116  5.0148  -0.2550898     7.082384 
1 1 1 8   -29 38 o 9.5289  2.9805  -0.7801   15.903    16.138    22.229    -18.5180  22.762    11.090  4.5884  7.9682  3.8054  3.121399       5.961056 
1 1 1 8   -29 39 o 13.618  3.7468  35.770    19.644    37.827    28.099    33.803    27.473    13.874  5.3481  13.361  5.2491  0.5126953      7.493658 
1 1 1 8   -29 40 o 16.607  3.9337  60.146    21.202    45.771    29.587    75.320    30.398    14.482  5.5109  18.732  5.6149  -4.250562      7.867480 
1 1 1 8   -29 41 o 16.465  4.0279  65.280    21.781    70.505    30.363    59.741    31.263    17.332  5.6740  15.598  5.7186  1.733660       8.055777 
1 1 1 8   -29 42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -28 0  o 31.434  2.0824  135.833   17.325    136.552   24.776    135.146   24.235    31.509  2.9708  31.359  2.9189  0.1497421      4.164752 
1 1 1 8   -28 1  o 28.505  2.1818  112.625   16.295    105.018   23.711    119.434   22.433    27.525  3.2808  29.486  2.8770  -1.960609      4.363566 
1 1 1 8   -28 2  o 19.344  2.6302  54.443    13.021    36.989    18.640    71.074    18.196    16.054  4.2632  22.634  3.0816  -6.579674      5.260324 
1 1 1 8   -28 3  o 6.3410  2.0621  -8.9243   8.1602    -15.0914  12.440    -4.2662   10.811    6.0180  2.8567  6.6639  2.9746  -0.6459894     4.124168 
1 1 1 8   -28 4  o 86.267  2.3145  1015.97   53.474    1034.08   76.302    998.485   74.964    87.022  3.2735  85.512  3.2729  1.510757       4.629056 
1 1 1 8   -28 5  o 64.749  2.0805  569.949   36.023    615.101   51.577    526.946   50.335    67.278  2.8621  62.219  3.0203  5.058609       4.161016 
1 1 1 8   -28 6  o 35.537  1.9658  172.172   18.520    188.358   26.732    157.234   25.681    37.168  2.7037  33.906  2.8544  3.262535       3.931589 
1 1 1 8   -28 7  o 10.140  2.6575  10.835    9.9016    2.5414    15.884    16.107    12.663    9.1996  3.8484  11.081  3.6660  -1.881083      5.315053 
1 1 1 8   -28 8  o 69.235  2.1053  651.787   39.031    672.646   55.568    631.474   54.836    70.338  2.9495  68.132  3.0049  2.205963       4.210554 
1 1 1 8   -28 9  o 25.075  2.2818  87.504    14.858    77.828    21.223    96.807    20.809    23.629  3.4554  26.522  2.9809  -2.893087      4.563501 
1 1 1 8   -28 10 o 92.309  2.3511  1163.36   58.127    1157.52   82.577    1169.10   81.837    92.067  3.3486  92.552  3.3012  -0.4847107     4.702284 
1 1 1 8   -28 11 o 66.709  2.1109  605.322   37.715    596.753   53.139    614.020   53.538    66.229  2.9955  67.188  2.9749  -0.9585419     4.221801 
1 1 1 8   -28 12 o 48.922  2.0350  326.369   26.544    327.749   37.260    324.947   37.824    49.036  2.8492  48.808  2.9064  0.2279930      4.070044 
1 1 1 8   -28 13 o 42.195  2.0467  244.107   22.877    267.510   32.098    219.945   32.614    44.316  2.7172  40.074  3.0616  4.242371       4.093477 
1 1 1 8   -28 14 o 38.721  2.0705  205.547   21.261    217.331   29.726    193.205   30.421    39.901  2.7991  37.541  3.0518  2.359566       4.141089 
1 1 1 8   -28 15 f 63.521  2.0517  548.942   34.903    538.877   49.016    559.296   49.713    62.928  2.9081  64.113  2.8949  -1.185768      4.103318 
1 1 1 8   -28 16 f 24.289  2.5994  82.648    16.336    91.341    23.569    74.610    22.663    25.581  3.5343  22.998  3.8128  2.583315       5.198868 
1 1 1 8   -28 17 o 89.584  2.3026  1097.96   55.247    1100.49   77.746    1095.37   78.522    89.700  3.2359  89.468  3.2767  0.2325897      4.605194 
1 1 1 8   -28 18 o 51.059  2.0319  357.727   27.539    391.207   38.574    322.923   39.329    53.573  2.6968  48.544  3.0401  5.029408       4.063840 
1 1 1 8   -28 19 o 42.443  2.0394  247.293   22.897    214.857   32.136    280.737   32.631    39.539  3.0582  45.347  2.6988  -5.808037      4.078736 
1 1 1 8   -28 20 o 41.026  2.0185  230.709   22.039    226.190   31.160    235.233   31.176    40.613  2.8832  41.439  2.8256  -0.8265800     4.036980 
1 1 1 8   -28 21 o 28.495  2.3573  114.242   17.342    93.988    24.736    133.817   24.318    25.838  3.6781  31.152  2.9496  -5.314030      4.714668 
1 1 1 8   -28 22 o 49.336  2.0295  334.296   26.653    356.811   37.699    311.795   37.687    51.045  2.7677  47.627  2.9690  3.417744       4.058949 
1 1 1 8   -28 23 o 71.377  2.1297  699.277   40.697    726.733   57.827    672.333   57.286    72.791  2.9659  69.962  3.0570  2.828781       4.259346 
1 1 1 8   -28 24 o 20.369  2.9390  60.062    15.481    65.150    22.519    55.503    21.317    21.218  4.1109  19.520  4.2015  1.697563       5.878086 
1 1 1 8   -28 25 o 32.275  2.2706  145.323   19.358    145.934   27.856    144.752   26.920    32.321  3.2624  32.229  3.1591  0.9121323E-01  4.541209 
1 1 1 8   -28 26 o 19.027  3.0281  53.162    15.152    65.615    21.979    41.882    20.917    21.253  4.0078  16.801  4.5403  4.452517       6.056184 
1 1 1 8   -28 27 o 5.2537  1.8572  -42.4498  10.854    -57.2903  15.608    -28.5530  15.103    4.6794  2.3747  5.8280  2.8561  -1.148541      3.714361 
1 1 1 8   -28 28 o 12.681  3.2531  19.836    14.529    28.059    20.948    12.213    20.168    14.042  4.7168  11.321  4.4814  2.721469       6.506276 
1 1 1 8   -28 29 o 45.506  2.1565  290.683   26.100    284.289   37.564    296.651   36.292    44.960  3.1390  46.053  2.9578  -1.093361      4.312959 
1 1 1 8   -28 30 o 8.6033  2.7235  -9.8781   13.583    -24.5120  19.186    4.8257    19.232    7.1929  3.4508  10.014  4.2144  -2.820853      5.446903 
1 1 1 8   -28 31 o 31.291  3.6536  142.721   30.045    142.721   30.045    0.0000    0.0000    31.291  3.6536  ?       ?       ?              ?        
1 1 1 8   -28 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -28 33 o 5.5653  1.9771  -51.2446  13.011    -57.7236  18.290    -44.6062  18.514    5.2850  2.6705  5.8456  2.9163  -0.5605626     3.954270 
1 1 1 8   -28 34 o 15.242  3.5169  38.195    16.663    31.774    23.492    44.696    23.640    14.124  4.9849  16.360  4.9623  -2.236140      7.033752 
1 1 1 8   -28 35 o 13.563  3.3700  27.585    16.441    44.752    23.116    10.013    23.388    16.213  4.9047  10.913  4.6230  5.299446       6.740050 
1 1 1 8   -28 36 o 26.265  3.2069  116.342   21.021    77.469    30.030    153.693   29.436    20.762  5.3625  31.767  3.5185  -11.00585      6.413772 
1 1 1 8   -28 37 o 13.439  3.3248  25.217    16.952    53.263    24.715    0.2982    23.296    17.205  5.0395  9.6723  4.3383  7.532528       6.649611 
1 1 1 8   -28 38 o 10.934  3.2173  12.500    16.278    24.092    22.313    -0.6872   23.799    12.293  4.7582  9.5754  4.3317  2.718025       6.434629 
1 1 1 8   -28 39 o 18.459  3.5953  63.471    19.898    93.975    28.971    36.232    27.376    22.984  4.8580  13.934  5.3014  9.049349       7.190637 
1 1 1 8   -28 40 o 10.061  3.1686  3.7899    17.779    16.490    24.735    -9.7856   25.572    11.177  4.7456  8.9449  4.2001  2.231816       6.337279 
1 1 1 8   -28 41 o 10.298  3.1808  6.6298    17.762    26.257    24.781    -14.1070  25.472    12.096  4.9061  8.4994  4.0498  3.596792       6.361660 
1 1 1 8   -28 42 o 9.0143  3.0122  -6.2808   19.133    -9.1490   26.684    -3.2458   27.449    8.7785  4.1720  9.2502  4.3460  -0.4717264     6.024382 
1 1 1 8   -28 43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -27 0  o 40.868  1.9751  227.747   21.478    220.941   30.510    234.434   30.240    40.245  2.8487  41.490  2.7365  -1.244926      3.950131 
1 1 1 8   -27 1  o 41.954  1.9751  239.763   22.054    250.749   31.336    228.979   31.045    42.924  2.7398  40.984  2.8457  1.939484       3.950249 
1 1 1 8   -27 2  o 48.181  1.9899  316.271   25.526    299.017   36.325    333.103   35.878    46.851  2.9090  49.511  2.7158  -2.659882      3.979717 
1 1 1 8   -27 3  o 50.463  1.9713  346.590   26.473    313.181   37.480    379.850   37.396    47.953  2.9322  52.973  2.6356  -5.019257      3.942613 
1 1 1 8   -27 4  o 32.546  2.0028  144.629   17.265    153.374   24.594    136.134   24.242    33.538  2.7624  31.554  2.9007  1.984037       4.005611 
1 1 1 8   -27 5  o 15.079  2.7916  32.133    11.401    35.120    16.693    29.522    15.608    15.712  3.9663  14.446  3.9295  1.265969       5.583233 
1 1 1 8   -27 6  o 53.419  1.9525  387.364   27.839    389.512   39.652    385.276   39.095    53.562  2.7733  53.276  2.7491  0.2865334      3.904968 
1 1 1 8   -27 7  o 52.939  1.9821  380.464   27.992    396.676   39.933    364.801   39.250    54.060  2.7671  51.818  2.8387  2.241497       3.964202 
1 1 1 8   -27 8  o 92.678  2.3598  1168.29   58.574    1186.28   83.328    1150.73   82.353    93.386  3.3314  91.971  3.3430  1.414818       4.719522 
1 1 1 8   -27 9  o 43.002  1.9871  251.667   22.703    273.218   32.270    230.546   31.947    44.860  2.6983  41.145  2.9177  3.714428       3.974135 
1 1 1 8   -27 10 o 89.196  2.3094  1081.45   55.173    1085.90   78.346    1077.06   77.712    89.376  3.2727  89.016  3.2593  0.3591461      4.618855 
1 1 1 8   -27 11 o 73.794  2.1481  739.072   42.439    764.229   59.964    713.824   60.072    75.070  2.9822  72.518  3.0927  2.551895       4.296300 
1 1 1 8   -27 12 o 86.228  2.2711  1010.61   52.443    1031.07   74.106    990.082   74.226    87.116  3.1759  85.339  3.2473  1.776855       4.542162 
1 1 1 8   -27 13 o 64.386  2.0761  562.406   35.790    574.834   50.321    549.683   50.914    65.120  2.8850  63.652  2.9863  1.467888       4.152238 
1 1 1 8   -27 14 o 32.125  2.1759  141.481   18.474    148.444   26.131    134.523   26.121    32.942  2.9942  31.309  3.1580  1.633451       4.351807 
1 1 1 8   -27 15 o 76.997  2.1580  805.568   44.496    814.265   62.495    796.625   63.369    77.432  3.0132  76.562  3.0901  0.8707581      4.316065 
1 1 1 8   -27 16 o 107.073 2.5034  1566.20   71.794    1545.81   101.057   1586.98   102.013   106.366 3.5471  107.781 3.5337  -1.415298      5.006889 
1 1 1 8   -27 17 o 23.311  2.6138  76.437    15.690    67.457    22.264    85.296    22.113    21.847  3.9501  24.775  3.4239  -2.927233      5.227519 
1 1 1 8   -27 18 f 35.985  2.0689  177.156   19.755    169.214   27.819    185.236   28.057    35.151  2.9829  36.818  2.8676  -1.667236      4.137743 
1 1 1 8   -27 19 o 79.304  2.1699  856.956   46.091    855.040   64.967    858.899   65.399    79.218  3.0619  79.390  3.0755  -0.1724930     4.339780 
1 1 1 8   -27 20 o 55.999  2.0039  427.005   29.989    409.330   42.059    445.284   42.771    54.771  2.8770  57.227  2.7903  -2.456348      4.007866 
1 1 1 8   -27 21 o 51.302  1.9750  359.181   27.036    357.965   38.339    360.385   38.130    51.211  2.8057  51.393  2.7803  -0.1819763     3.949994 
1 1 1 8   -27 22 o 36.568  2.0602  183.430   20.005    186.484   28.758    180.566   27.846    36.858  2.9374  36.279  2.8896  0.5787697      4.120452 
1 1 1 8   -27 23 o 83.277  2.2505  951.121   50.165    911.568   70.966    990.624   70.922    81.505  3.2507  85.050  3.1133  -3.545410      4.501088 
1 1 1 8   -27 24 o 45.706  1.9956  286.326   24.301    297.229   34.553    275.655   34.183    46.585  2.7818  44.828  2.8619  1.757275       3.991103 
1 1 1 8   -27 25 o 53.196  2.0105  388.186   28.540    390.487   40.712    385.962   40.020    53.345  2.8598  53.048  2.8267  0.2963028      4.021040 
1 1 1 8   -27 26 o 43.949  2.0526  265.710   24.009    275.581   34.775    256.718   33.189    44.725  2.9189  43.174  2.8867  1.550709       4.105232 
1 1 1 8   -27 27 o 38.520  2.1139  205.226   21.607    220.515   31.066    190.900   30.072    39.942  2.9241  37.097  3.0536  2.845695       4.227829 
1 1 1 8   -27 28 o 18.830  3.1104  52.824    15.457    45.484    22.302    59.610    21.443    17.464  4.6750  20.196  4.1040  -2.731836      6.220837 
1 1 1 8   -27 29 o 17.450  3.0661  43.339    14.974    68.604    22.674    23.797    19.941    21.660  4.0572  13.239  4.5981  8.421110       6.132182 
1 1 1 8   -27 30 o 21.186  3.0105  66.918    16.490    84.270    23.707    50.651    22.953    24.106  3.7972  18.266  4.6726  5.840759       6.020977 
1 1 1 8   -27 31 o 46.063  2.2064  298.685   27.049    302.247   38.947    295.366   37.595    46.302  3.1593  45.825  3.0808  0.4760895      4.412788 
1 1 1 8   -27 32 o 36.468  2.3746  191.235   22.800    177.441   33.049    203.760   31.494    35.048  3.5705  37.888  3.1315  -2.840389      4.749140 
1 1 1 8   -27 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -27 34 o 18.970  3.3809  57.629    17.824    79.773    25.853    37.568    24.607    22.619  4.4257  15.320  5.1123  7.298999       6.761864 
1 1 1 8   -27 35 o 19.800  3.4408  64.720    18.173    58.537    25.950    70.670    25.457    18.693  5.0593  20.906  4.6646  -2.212561      6.881542 
1 1 1 8   -27 36 o 13.479  3.4309  28.458    15.900    23.013    21.911    34.516    23.110    12.528  4.7484  14.429  4.9534  -1.900701      6.861749 
1 1 1 8   -27 37 o 16.172  3.5570  45.928    17.074    49.180    24.288    42.750    24.007    16.729  5.0200  15.615  5.0407  1.114552       7.114013 
1 1 1 8   -27 38 o 10.741  3.2393  9.0888    16.812    19.557    23.852    -1.2463   23.700    11.885  4.8157  9.5968  4.3337  2.288282       6.478610 
1 1 1 8   -27 39 o 10.291  3.1675  6.9163    16.564    14.148    23.090    -0.7515   23.775    11.019  4.6265  9.5626  4.3274  1.456294       6.334933 
1 1 1 8   -27 40 o 19.702  3.7792  75.229    20.869    61.306    30.057    88.188    28.997    17.392  5.6429  22.011  5.0286  -4.618692      7.558369 
1 1 1 8   -27 41 o 10.924  3.3705  12.123    18.774    3.9220    26.203    20.773    26.912    10.074  4.5524  11.773  4.9717  -1.699031      6.741034 
1 1 1 8   -27 42 o 9.4962  3.0975  -4.0245   18.555    -19.0320  25.112    14.020    27.536    8.1281  3.9118  10.864  4.8039  -2.736223      6.195093 
1 1 1 8   -27 43 o 12.767  3.7201  33.661    21.052    16.846    28.257    54.635    31.559    10.804  4.8167  14.730  5.6707  -3.926394      7.440257 
1 1 1 8   -26 0  o 57.275  2.0016  445.008   30.636    434.752   43.683    454.935   42.978    56.575  2.8924  57.974  2.7677  -1.399284      4.003259 
1 1 1 8   -26 1  o 56.793  1.9780  436.465   30.088    441.766   42.696    431.235   42.406    57.137  2.7898  56.449  2.8047  0.6882515      3.955948 
1 1 1 8   -26 2  o 13.138  2.6870  23.793    10.149    29.842    14.536    18.039    14.177    14.525  3.7198  11.750  3.8785  2.775520       5.374022 
1 1 1 8   -26 3  o 39.519  1.9244  212.346   20.194    195.642   28.548    229.074   28.568    37.933  2.8302  41.106  2.6082  -3.173294      3.848762 
1 1 1 8   -26 4  o 44.274  1.9536  266.879   22.909    234.025   32.393    299.755   32.404    41.492  2.9337  47.056  2.5808  -5.564640      3.907279 
1 1 1 8   -26 5  o 92.769  2.3375  1166.84   58.076    1171.98   82.795    1161.87   81.484    92.963  3.3251  92.575  3.2862  0.3882141      4.674938 
1 1 1 8   -26 6  o 54.469  1.9450  401.076   28.311    418.481   40.374    384.238   39.711    55.674  2.7074  53.263  2.7933  2.411304       3.890026 
1 1 1 8   -26 7  o 59.046  1.9791  471.069   31.286    457.951   44.434    483.965   44.058    58.221  2.8493  59.870  2.7474  -1.649082      3.958151 
1 1 1 8   -26 8  o 58.807  1.9921  467.034   31.376    476.328   44.538    457.878   44.207    59.391  2.7998  58.223  2.8347  1.167564       3.984240 
1 1 1 8   -26 9  o 48.038  1.9486  312.527   24.967    313.874   35.294    311.178   35.324    48.143  2.7484  47.933  2.7631  0.2107124      3.897243 
1 1 1 8   -26 10 o 88.164  2.2856  1052.67   53.955    1022.46   76.349    1082.80   76.258    86.886  3.2807  89.442  3.1831  -2.556137      4.571151 
1 1 1 8   -26 11 o 91.840  2.3058  1142.32   56.720    1138.47   80.211    1146.17   80.217    91.683  3.2663  91.996  3.2554  -0.3125839     4.611567 
1 1 1 8   -26 12 o 54.743  2.0057  405.766   29.303    396.301   41.098    415.554   41.793    54.090  2.8468  55.396  2.8261  -1.306236      4.011323 
1 1 1 8   -26 13 o 68.457  2.0709  633.493   37.970    625.299   53.430    641.853   53.969    68.009  2.9331  68.905  2.9242  -0.8962708     4.141728 
1 1 1 8   -26 14 o 59.116  2.0211  472.574   31.988    482.408   44.893    462.431   45.592    59.751  2.8051  58.481  2.9106  1.270126       4.042296 
1 1 1 8   -26 15 o 101.768 2.4159  1406.02   65.848    1382.68   92.686    1429.81   93.567    100.910 3.4292  102.626 3.4039  -1.715912      4.831762 
1 1 1 8   -26 16 o 84.741  2.2062  973.662   50.055    992.179   70.298    954.618   71.291    85.575  3.0669  83.906  3.1721  1.669174       4.412316 
1 1 1 8   -26 17 o 12.626  2.7394  20.629    11.378    3.9153    16.991    34.217    15.320    9.7129  4.0145  15.539  3.7285  -5.826161      5.478856 
1 1 1 8   -26 18 o 29.776  2.1159  121.209   16.634    127.109   24.028    115.780   23.050    30.480  2.9813  29.072  3.0033  1.407822       4.231822 
1 1 1 8   -26 19 o 55.902  1.9589  423.275   29.330    422.179   41.279    424.393   41.682    55.831  2.7604  55.973  2.7802  -0.1416817     3.917828 
1 1 1 8   -26 20 o 56.683  1.9574  436.155   29.658    448.637   41.930    423.658   41.957    57.541  2.7206  55.825  2.8150  1.715691       3.914843 
1 1 1 8   -26 21 o 59.591  1.9588  481.798   31.262    471.622   44.012    492.160   44.414    58.951  2.7873  60.231  2.7530  -1.279621      3.917697 
1 1 1 8   -26 22 o 39.587  1.9999  214.749   20.978    196.424   29.974    232.345   29.371    37.877  2.9785  41.298  2.6695  -3.421650      3.999738 
1 1 1 8   -26 23 o 55.505  1.9780  419.597   29.351    412.265   41.548    426.901   41.469    54.975  2.8312  56.034  2.7630  -1.058460      3.956002 
1 1 1 8   -26 24 o 28.022  2.3807  111.717   16.883    83.622    24.297    137.946   23.477    24.332  3.8567  31.713  2.7923  -7.380432      4.761454 
1 1 1 8   -26 25 o 78.297  2.1739  838.914   45.588    843.922   64.821    834.012   64.126    78.524  3.0820  78.070  3.0666  0.4540787      4.347732 
1 1 1 8   -26 26 o 48.112  1.9956  316.986   25.594    323.862   36.835    310.567   35.588    48.611  2.8414  47.614  2.8028  0.9967880      3.991146 
1 1 1 8   -26 27 o 70.938  2.1238  690.201   40.348    702.274   57.638    678.601   56.500    71.543  3.0078  70.332  2.9992  1.211365       4.247629 
1 1 1 8   -26 28 o 39.030  2.1010  210.235   21.770    214.622   31.742    206.339   29.913    39.392  3.0317  38.669  2.9095  0.7233124      4.201961 
1 1 1 8   -26 29 o 43.930  2.0958  266.753   24.505    274.769   35.310    259.305   34.037    44.564  2.9753  43.297  2.9526  1.266670       4.191656 
1 1 1 8   -26 30 o 16.805  3.2885  42.400    15.342    37.927    22.959    46.010    20.623    16.011  4.8976  17.598  4.3899  -1.586329      6.577005 
1 1 1 8   -26 31 o 16.199  3.0884  38.932    15.489    12.385    22.582    62.515    21.284    11.752  4.7124  20.646  3.9934  -8.893678      6.176840 
1 1 1 8   -26 32 o 58.754  2.1970  484.318   34.440    481.409   49.228    487.106   48.200    58.543  3.1510  58.965  3.0624  -0.4221802     4.393990 
1 1 1 8   -26 33 o 41.358  2.2799  243.196   25.019    233.694   35.778    252.289   34.999    40.486  3.3288  42.230  3.1162  -1.744392      4.559734 
1 1 1 8   -26 34 o 16.519  5.0053  43.255    24.060    43.255    24.060    0.0000    0.0000    16.519  5.0053  ?       ?       ?              ?        
1 1 1 8   -26 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -26 36 o 18.952  3.4095  59.419    17.995    40.107    25.376    78.955    25.522    15.561  5.1916  22.342  4.4212  -6.781600      6.819082 
1 1 1 8   -26 37 o 16.838  3.6786  49.293    18.262    48.141    26.784    50.293    24.966    16.583  5.3213  17.093  5.0806  -0.5099068     7.357183 
1 1 1 8   -26 38 o 19.816  3.6098  69.005    19.282    69.658    27.093    68.334    27.448    19.960  5.0606  19.672  5.1491  0.2875824      7.219598 
1 1 1 8   -26 39 o 11.129  3.3028  13.674    16.700    17.128    23.194    9.9572    24.063    11.506  4.7158  10.751  4.6254  0.7550583      6.605573 
1 1 1 8   -26 40 o 13.175  3.3175  24.267    17.796    53.618    24.645    -7.7131   25.725    17.060  5.0424  9.2905  4.3126  7.769350       6.635098 
1 1 1 8   -26 41 o 15.418  3.7919  45.770    20.306    27.399    28.561    64.549    28.876    12.785  5.2357  18.052  5.4864  -5.267364      7.583718 
1 1 1 8   -26 42 o 18.083  3.5766  65.311    21.744    106.004   30.351    22.399    31.167    24.067  4.8753  12.098  5.2343  11.96881       7.153111 
1 1 1 8   -26 43 o 11.490  3.5046  14.897    20.933    -9.6169   28.797    42.362    30.481    9.1666  4.3499  13.812  5.4962  -4.645802      7.009272 
1 1 1 8   -26 44 o 12.266  5.4455  34.455    35.733    34.455    35.733    0.0000    0.0000    12.266  5.4455  ?       ?       ?              ?        
1 1 1 8   -25 0  o 59.074  2.0021  472.535   31.577    447.041   44.860    497.575   44.458    57.439  2.9255  60.710  2.7340  -3.270874      4.004175 
1 1 1 8   -25 1  o 102.484 2.4634  1424.37   67.596    1393.54   96.121    1454.54   95.079    101.367 3.5403  103.602 3.4263  -2.235710      4.926756 
1 1 1 8   -25 2  f 62.376  2.0118  524.990   33.605    540.837   47.840    509.554   47.215    63.309  2.8212  61.443  2.8689  1.866081       4.023688 
1 1 1 8   -25 3  o 48.511  1.9328  318.474   24.992    304.450   35.396    332.417   35.293    47.431  2.7985  49.592  2.6668  -2.160740      3.865660 
1 1 1 8   -25 4  o 45.728  4.3632  287.056   52.794    0.0000    0.0000    287.056   52.794    ?       ?       45.728  4.3632  ?              ?        
1 1 1 8   -25 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -25 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -25 7  o 76.905  4.6633  808.200   95.604    808.200   95.604    0.0000    0.0000    76.905  4.6633  ?       ?       ?              ?        
1 1 1 8   -25 8  o 43.425  1.9678  255.751   22.687    277.697   31.936    233.392   32.235    45.340  2.6412  41.511  2.9177  3.828922       3.935593 
1 1 1 8   -25 9  o 41.526  1.9861  233.342   21.957    227.520   30.918    239.266   31.187    40.997  2.8330  42.054  2.7844  -1.057076      3.972236 
1 1 1 8   -25 10 o 15.174  3.0140  32.292    13.033    23.363    19.087    40.092    17.839    13.481  4.5026  16.867  4.0078  -3.385839      6.027930 
1 1 1 8   -25 11 o 57.906  1.9859  451.654   30.797    440.544   43.186    463.150   43.930    57.181  2.8197  58.632  2.7973  -1.451542      3.971859 
1 1 1 8   -25 12 o 76.102  2.1193  781.248   43.188    794.640   60.764    767.576   61.396    76.768  2.9551  75.435  3.0386  1.333229       4.238627 
1 1 1 8   -25 13 o 87.256  2.2322  1028.00   52.159    1044.46   73.464    1011.28   74.068    87.969  3.1178  86.544  3.1953  1.425560       4.464387 
1 1 1 8   -25 14 o 34.347  2.0963  160.493   19.058    171.141   26.932    149.812   26.973    35.515  2.8553  33.178  3.0701  2.337223       4.192594 
1 1 1 8   -25 15 o 58.070  1.9676  455.000   30.578    466.482   42.749    442.971   43.756    58.830  2.7129  57.310  2.8505  1.520691       3.935123 
1 1 1 8   -25 16 o 81.947  2.1588  907.084   47.374    908.724   66.330    905.375   67.683    82.030  3.0189  81.864  3.0867  0.1667404      4.317592 
1 1 1 8   -25 17 o 46.501  4.1074  296.533   50.633    296.533   50.633    0.0000    0.0000    46.501  4.1074  ?       ?       ?              ?        
1 1 1 8   -25 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -25 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -25 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -25 21 o 25.292  2.3120  88.413    15.128    103.881   21.771    73.969    21.037    27.526  3.0015  23.059  3.5175  4.467239       4.624040 
1 1 1 8   -25 22 o 12.914  3.0031  22.076    11.992    22.067    17.757    22.084    16.261    12.990  4.3428  12.837  4.1490  0.1526489      6.006205 
1 1 1 8   -25 23 o 29.432  2.1555  118.834   16.735    124.687   24.104    113.388   23.252    30.143  3.0264  28.720  3.0701  1.422243       4.311014 
1 1 1 8   -25 24 o 52.251  1.9553  371.538   27.263    380.103   38.998    363.350   38.129    52.842  2.7650  51.661  2.7655  1.180759       3.910673 
1 1 1 8   -25 25 o 36.838  2.0252  185.646   19.820    190.382   28.443    181.176   27.633    37.295  2.8694  36.380  2.8588  0.9151459      4.050462 
1 1 1 8   -25 26 o 51.589  1.9965  364.606   27.400    343.663   39.454    384.118   38.082    50.102  2.9531  53.075  2.6875  -2.973557      3.992906 
1 1 1 8   -25 27 o 79.689  2.2081  869.715   47.120    893.582   67.389    846.883   65.911    80.762  3.1152  78.615  3.1302  2.147125       4.416165 
1 1 1 8   -25 28 o 45.205  2.0285  280.300   24.425    288.564   35.164    272.597   33.951    45.847  2.8781  44.563  2.8595  1.284214       4.057085 
1 1 1 8   -25 29 o 26.744  2.4330  100.340   17.016    104.027   24.508    96.909    23.643    27.226  3.4374  26.262  3.4441  0.9637966      4.865963 
1 1 1 8   -25 30 o 14.632  3.2017  30.431    14.488    17.737    21.210    41.534    19.837    12.459  4.6832  16.805  4.3671  -4.346815      6.403438 
1 1 1 8   -25 31 o 53.672  2.1139  399.081   30.263    394.120   43.042    403.931   42.559    53.320  3.0263  54.025  2.9522  -0.7055397     4.227786 
1 1 1 8   -25 32 f 28.223  2.6014  113.550   18.992    134.635   27.721    94.899    26.072    30.839  3.4133  25.606  3.9267  5.232641       5.202803 
1 1 1 8   -25 33 o 11.998  3.0087  10.982    14.771    -16.7229  21.220    37.027    20.574    8.3179  3.8796  15.677  4.5997  -7.359563      6.017336 
1 1 1 8   -25 34 o 9.2906  2.8521  -0.0765   13.208    2.5942    18.734    -2.7154   18.623    9.6201  4.1084  8.9611  3.9570  0.6590252      5.704152 
1 1 1 8   -25 35 o 15.843  3.4111  38.233    17.055    18.587    24.288    57.340    23.953    12.570  4.9363  19.117  4.7089  -6.546761      6.822125 
1 1 1 8   -25 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -25 37 o 21.796  3.4216  77.519    19.468    83.110    27.764    72.111    27.306    22.687  4.7225  20.905  4.9525  1.781776       6.843202 
1 1 1 8   -25 38 o 18.902  3.6402  62.796    19.397    48.652    28.353    75.240    26.594    16.546  5.4862  21.258  4.7860  -4.711815      7.280390 
1 1 1 8   -25 39 o 9.8482  3.0014  -0.5962   15.936    19.287    21.488    -24.9013  23.757    11.768  4.6361  7.9288  3.8132  3.838852       6.002760 
1 1 1 8   -25 40 o 8.5520  2.7766  -15.1540  15.918    8.2848    21.372    -44.3594  23.856    10.193  4.3714  6.9112  3.4247  3.281611       5.553206 
1 1 1 8   -25 41 o 9.4267  3.0078  -7.0561   17.147    14.880    24.264    -28.9412  24.236    11.184  4.7216  7.6698  3.7275  3.513804       6.015682 
1 1 1 8   -25 42 o 8.4341  2.7879  -20.4348  17.206    7.3024    22.886    -56.4907  26.094    10.082  4.4216  6.7861  3.3970  3.295970       5.575835 
1 1 1 8   -25 43 o 17.129  4.1259  65.563    22.837    74.159    32.659    57.338    31.945    18.278  5.8771  15.981  5.7925  2.297284       8.251850 
1 1 1 8   -25 44 o 16.598  4.1644  67.683    23.357    60.453    32.816    75.107    33.252    15.638  5.8357  17.557  5.9426  -1.919144      8.328862 
1 1 1 8   -25 45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -24 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -24 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -24 2  o 61.172  2.4374  517.747   37.762    546.722   47.372    467.242   62.543    63.727  2.7753  58.617  4.0076  5.110691       4.874722 
1 1 1 8   -24 3  o 86.478  2.2316  1007.81   51.673    1043.50   73.502    972.935   72.659    87.998  3.1184  84.958  3.1930  3.040245       4.463166 
1 1 1 8   -24 4  o 67.417  2.0359  611.981   36.749    596.959   52.192    626.750   51.753    66.591  2.9262  68.243  2.8313  -1.652657      4.071721 
1 1 1 8   -24 5  o 108.417 2.5433  1586.44   73.840    1562.30   104.965   1610.10   103.894   107.590 3.6424  109.245 3.5506  -1.654388      5.086609 
1 1 1 8   -24 6  o 63.866  2.0156  548.761   34.479    553.304   48.920    544.278   48.602    64.129  2.8480  63.603  2.8529  0.5257072      4.031168 
1 1 1 8   -24 7  o 66.574  2.0352  596.299   36.284    611.732   51.498    581.086   51.131    67.433  2.8512  65.716  2.9049  1.716431       4.070349 
1 1 1 8   -24 8  o 74.790  2.1236  753.110   42.519    724.804   60.142    781.395   60.120    73.378  3.0600  76.203  2.9455  -2.825066      4.247291 
1 1 1 8   -24 9  o 126.971 2.8039  2177.67   95.357    2192.58   135.050   2162.85   134.661   127.407 3.9574  126.536 3.9732  0.8710861      5.607820 
1 1 1 8   -24 10 o 151.526 3.1670  3108.90   128.533   3101.43   181.886   3116.35   181.662   151.341 4.4870  151.710 4.4705  -0.3696289     6.333929 
1 1 1 8   -24 11 o 46.419  2.0681  293.216   25.357    330.303   35.445    254.337   36.292    49.491  2.6839  43.347  3.1473  6.144184       4.136264 
1 1 1 8   -24 12 o 20.346  2.8148  57.770    14.784    63.524    21.245    52.369    20.585    21.369  3.8536  19.323  4.1041  2.046387       5.629679 
1 1 1 8   -24 13 o 64.637  1.9969  561.948   34.565    546.762   48.391    577.767   49.389    63.745  2.8342  65.529  2.8139  -1.784660      3.993819 
1 1 1 8   -24 14 o 63.566  2.0058  544.085   34.129    552.828   47.665    534.888   48.889    64.097  2.7763  63.036  2.8956  1.061607       4.011548 
1 1 1 8   -24 15 o 7.7547  2.4197  -9.1488   10.783    -27.5907  16.692    4.0569    14.125    6.4658  3.1307  9.0435  3.6903  -2.577795      4.839396 
1 1 1 8   -24 16 o 87.435  2.2125  1031.04   51.796    1049.91   72.731    1011.61   73.783    88.257  3.0767  86.613  3.1804  1.643867       4.425039 
1 1 1 8   -24 17 o 79.354  2.1243  848.791   45.111    800.980   63.280    898.195   64.325    77.072  3.0654  81.637  2.9417  -4.565193      4.248552 
1 1 1 8   -24 18 o 140.663 2.9817  2686.98   112.337   2655.83   158.629   2718.31   159.109   139.837 4.2352  141.490 4.1984  -1.652283      5.963467 
1 1 1 8   -24 19 o 41.355  1.9448  232.592   21.250    199.992   30.010    265.374   30.093    38.391  2.9407  44.319  2.5458  -5.927994      3.889577 
1 1 1 8   -24 20 o 40.633  1.9414  224.570   20.871    197.017   29.546    252.014   29.487    38.094  2.9179  43.172  2.5615  -5.078045      3.882715 
1 1 1 8   -24 21 o 28.103  2.4125  108.309   17.544    107.033   22.970    110.095   27.182    27.960  3.1203  28.245  3.6802  -0.2850056     4.824987 
1 1 1 8   -24 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -24 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -24 24 o 22.542  2.5098  70.940    14.607    70.117    21.442    71.652    19.953    22.378  3.7070  22.705  3.3843  -0.3269634     5.019511 
1 1 1 8   -24 25 o 42.323  1.9748  243.949   22.254    245.480   31.906    242.498   31.056    42.446  2.8224  42.201  2.7628  0.2446632      3.949558 
1 1 1 8   -24 26 o 74.172  2.1295  748.873   42.295    758.605   60.667    739.668   58.997    74.631  3.0349  73.712  2.9881  0.9185562      4.259040 
1 1 1 8   -24 27 o 49.571  1.9827  335.375   26.191    336.364   37.921    334.474   36.216    49.620  2.8654  49.521  2.7410  0.9869766E-01  3.965305 
1 1 1 8   -24 28 o 35.604  2.1073  174.694   19.861    166.519   28.615    182.292   27.588    34.753  3.1068  36.454  2.8480  -1.701283      4.214676 
1 1 1 8   -24 29 o 40.838  2.1003  229.415   22.799    228.430   32.853    230.330   31.664    40.730  3.0331  40.946  2.9060  -0.2154045     4.200581 
1 1 1 8   -24 30 o 15.531  2.9616  33.389    13.933    55.851    20.041    12.376    19.383    19.692  3.9372  11.370  4.4254  8.321859       5.923297 
1 1 1 8   -24 31 o 38.926  2.1655  209.753   22.373    213.369   32.485    206.489   30.859    39.223  3.1178  38.629  3.0062  0.5945930      4.331011 
1 1 1 8   -24 32 o 31.076  2.4004  135.871   19.633    143.115   27.901    128.766   27.631    31.942  3.3092  30.211  3.4781  1.730408       4.800860 
1 1 1 8   -24 33 o 19.812  3.1123  58.672    16.159    69.349    22.892    48.069    22.812    21.764  4.0768  17.860  4.7036  3.904104       6.224511 
1 1 1 8   -24 34 o 15.896  3.5193  37.880    16.647    42.010    24.418    34.294    22.754    16.595  5.0455  15.196  4.9076  1.399637       7.038581 
1 1 1 8   -24 35 o 17.486  3.5354  47.931    17.421    44.587    25.568    50.830    23.802    16.891  5.1687  18.080  4.8251  -1.189123      7.070838 
1 1 1 8   -24 36 o 22.442  3.4346  80.034    20.164    61.856    28.672    97.822    28.363    19.502  5.3348  25.381  4.3272  -5.879570      6.869119 
1 1 1 8   -24 37 o 26.532  7.9439  144.005   60.871    0.0000    0.0000    144.005   60.871    ?       ?       26.532  7.9439  ?              ?        
1 1 1 8   -24 38 o 20.546  3.6227  70.880    19.859    72.532    28.595    69.341    27.602    20.749  5.1653  20.343  5.0808  0.4064198      7.245350 
1 1 1 8   -24 39 f 12.334  3.5176  18.855    18.468    29.671    25.504    6.9319    26.779    13.646  5.1343  11.023  4.8097  2.623606       7.035225 
1 1 1 8   -24 40 o 12.428  3.4791  18.729    18.369    39.112    26.581    0.0989    25.413    14.816  5.2946  10.040  4.5149  4.775944       6.958264 
1 1 1 8   -24 41 o 11.119  3.2680  11.297    17.164    28.107    23.875    -6.6850   24.693    12.987  4.9484  9.2512  4.2698  3.735635       6.535947 
1 1 1 8   -24 42 o 19.922  3.6708  76.533    22.248    114.914   31.444    38.056    31.484    25.683  4.7458  14.162  5.6014  11.52088       7.341558 
1 1 1 8   -24 43 o 14.031  3.2468  22.391    19.844    75.924    27.778    -33.4058  28.359    19.986  5.1552  8.0763  3.9485  11.91023       6.493551 
1 1 1 8   -24 44 o 12.931  3.6884  28.789    20.886    7.2416    28.445    53.993    30.764    10.395  4.7159  15.467  5.6724  -5.071721      7.376740 
1 1 1 8   -24 45 o 14.237  4.0586  51.030    23.898    39.244    32.209    65.465    35.644    12.964  5.4548  15.511  6.0110  -2.546725      8.117123 
1 1 1 8   -23 0  o 93.931  2.3473  1188.83   59.050    1185.84   84.059    1191.74   82.969    93.810  3.3454  94.052  3.2935  -0.2420044     4.694583 
1 1 1 8   -23 1  o 51.142  1.9486  352.751   26.586    345.407   37.747    359.979   37.450    50.607  2.7956  51.677  2.7152  -1.069687      3.897111 
1 1 1 8   -23 2  f 52.767  1.9646  375.469   27.649    391.167   39.109    359.782   39.096    53.880  2.7187  51.653  2.8366  2.226757       3.929113 
1 1 1 8   -23 3  o 141.290 2.9934  2695.50   113.279   2706.38   160.900   2684.82   159.511   141.570 4.2432  141.010 4.2233  0.5596466      5.986731 
1 1 1 8   -23 4  o 65.589  2.0005  578.597   35.113    552.440   49.797    604.461   49.518    64.107  2.9001  67.070  2.7564  -2.962456      4.001051 
1 1 1 8   -23 5  o 94.572  2.3427  1204.20   59.298    1158.22   84.208    1249.43   83.516    92.770  3.3889  96.374  3.2354  -3.604263      4.685326 
1 1 1 8   -23 6  o 153.177 3.1671  3168.30   129.927   3227.44   184.477   3110.10   183.021   154.602 4.4549  151.753 4.5027  2.849777       6.334103 
1 1 1 8   -23 7  o 19.571  2.7879  53.367    14.101    56.013    20.403    50.948    19.510    20.045  3.9406  19.097  3.9447  0.9475231      5.575791 
1 1 1 8   -23 8  o 173.094 3.4950  4052.17   162.034   4041.78   229.592   4062.48   228.711   172.867 4.9586  173.320 4.9266  -0.4530182     6.989921 
1 1 1 8   -23 9  o 77.874  2.1192  815.275   44.192    832.322   62.344    798.060   62.651    78.696  2.9577  77.052  3.0357  1.643982       4.238324 
1 1 1 8   -23 10 o 69.391  2.0660  647.362   38.383    659.300   53.821    635.007   54.754    70.047  2.8686  68.735  2.9740  1.311195       4.132082 
1 1 1 8   -23 11 o 147.999 3.0806  2956.49   122.119   2960.02   172.537   2952.95   172.868   148.089 4.3498  147.908 4.3635  0.1805267      6.161225 
1 1 1 8   -23 12 o 39.331  2.0505  208.886   21.442    201.798   29.911    216.380   30.753    38.639  2.9115  40.022  2.8882  -1.382210      4.101053 
1 1 1 8   -23 13 o 68.721  2.0168  635.455   37.081    661.052   52.000    608.973   52.892    70.138  2.7679  67.305  2.9340  2.833519       4.033571 
1 1 1 8   -23 14 o 102.485 2.3942  1414.14   65.719    1419.13   92.520    1409.05   93.366    102.671 3.3643  102.299 3.4074  0.3720627      4.788464 
1 1 1 8   -23 15 o 134.996 2.8619  2460.04   103.480   2434.32   145.914   2486.07   146.776   134.283 4.0568  135.708 4.0379  -1.424866      5.723881 
1 1 1 8   -23 16 o 126.062 2.7334  2144.64   92.289    2115.25   129.967   2174.53   131.073   125.188 3.8760  126.936 3.8551  -1.747475      5.466719 
1 1 1 8   -23 17 o 73.741  2.0372  731.529   40.221    702.055   56.518    761.771   57.250    72.232  2.9213  75.251  2.8404  -3.019020      4.074498 
1 1 1 8   -23 18 o 36.394  2.0636  181.109   19.696    152.013   28.123    209.118   27.592    33.441  3.1779  39.346  2.6334  -5.905003      4.127156 
1 1 1 8   -23 19 f 81.285  2.1114  890.090   45.964    907.043   65.068    873.203   64.939    82.062  2.9603  80.508  3.0115  1.553352       4.222841 
1 1 1 8   -23 20 o 79.985  2.1088  862.273   45.178    865.181   64.184    859.417   63.604    80.117  2.9909  79.853  2.9737  0.2644119      4.217684 
1 1 1 8   -23 21 o 68.697  2.0156  636.060   37.086    644.116   52.847    628.244   52.057    69.125  2.8543  68.269  2.8468  0.8558350      4.031279 
1 1 1 8   -23 22 o 12.632  2.5594  16.863    11.370    41.696    16.283    -6.7709   15.885    17.225  3.6430  8.0400  3.5959  9.184949       5.118840 
1 1 1 8   -23 23 o 38.535  1.9287  200.902   19.739    219.169   28.611    184.309   27.268    40.221  2.6709  36.850  2.7832  3.371487       3.857463 
1 1 1 8   -23 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -23 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -23 26 o 59.307  2.0174  479.496   31.841    439.888   45.776    516.623   44.319    56.841  3.0175  61.772  2.6786  -4.931015      4.034864 
1 1 1 8   -23 27 o 13.038  3.0811  22.325    12.900    15.123    19.442    27.989    17.241    11.937  4.4844  14.139  4.2266  -2.201974      6.162288 
1 1 1 8   -23 28 o 71.292  2.1239  692.478   40.545    716.366   57.963    669.589   56.736    72.504  2.9847  70.081  3.0225  2.422523       4.247852 
1 1 1 8   -23 29 o 59.592  2.0601  484.579   32.867    482.085   47.122    486.942   45.866    59.425  2.9605  59.759  2.8655  -0.3344650     4.120170 
1 1 1 8   -23 30 o 22.039  2.8292  69.598    15.948    88.466    23.101    52.417    22.045    25.098  3.5343  18.980  4.4189  6.117950       5.658439 
1 1 1 8   -23 31 o 38.207  2.1778  202.406   22.010    188.625   31.707    215.222   30.577    36.877  3.2430  39.538  2.9077  -2.660625      4.355661 
1 1 1 8   -23 32 o 45.874  2.1239  290.304   25.936    302.240   37.482    279.339   35.925    46.779  3.0074  44.968  2.9998  1.810574       4.247728 
1 1 1 8   -23 33 o 14.291  3.0867  26.257    14.775    49.021    20.944    3.7033    20.846    18.210  4.3530  10.372  4.3775  7.838417       6.173425 
1 1 1 8   -23 34 o 42.335  2.3034  251.443   25.901    247.562   37.086    255.139   36.190    41.974  3.3259  42.696  3.1876  -0.7213707     4.606755 
1 1 1 8   -23 35 o 28.526  2.8347  119.195   20.731    142.184   29.604    97.074    29.040    31.512  3.5705  25.541  4.4039  5.970299       5.669434 
1 1 1 8   -23 36 o 12.361  3.3984  17.511    16.226    21.069    22.551    13.693    23.365    12.837  4.8284  11.885  4.7836  0.9522848      6.796738 
1 1 1 8   -23 37 o 8.3793  3.9183  -16.4229  21.870    -16.4229  21.870    0.0000    0.0000    8.3793  3.9183  ?       ?       ?              ?        
1 1 1 8   -23 38 o 28.749  3.0188  127.082   22.419    125.623   33.208    128.305   30.390    28.380  4.5203  29.118  4.0025  -0.7380447     6.037658 
1 1 1 8   -23 39 o 19.247  3.2300  58.055    19.480    111.282   28.787    13.091    26.459    26.732  4.1554  11.762  4.9462  14.97056       6.460093 
1 1 1 8   -23 40 f 15.563  3.6529  39.579    19.406    16.781    26.662    65.266    28.301    12.000  4.9999  19.127  5.3269  -7.127523      7.305803 
1 1 1 8   -23 41 o 10.658  3.2884  5.3791    17.882    -5.0223   24.131    18.048    26.632    9.3585  4.2831  11.957  4.9908  -2.598147      6.576736 
1 1 1 8   -23 42 o 35.423  3.1297  209.191   29.028    201.061   40.775    217.545   41.333    34.600  4.5068  36.246  4.3439  -1.646755      6.259460 
1 1 1 8   -23 43 o 16.121  3.9611  52.148    21.395    39.428    29.768    65.739    30.771    14.280  5.5047  17.962  5.6973  -3.681998      7.922143 
1 1 1 8   -23 44 f 11.597  3.3633  9.4559    19.732    46.248    27.802    -27.8850  28.008    14.964  5.4069  8.2300  4.0015  6.734475       6.726557 
1 1 1 8   -23 45 o 11.257  3.4468  15.927    20.259    -4.7666   28.906    35.903    28.401    9.4484  4.4457  13.065  5.2686  -3.617099      6.893606 
1 1 1 8   -23 46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -22 0  o 111.635 2.5861  1679.22   77.263    1612.23   109.789   1744.95   108.752   109.413 3.7463  113.857 3.5661  -4.444138      5.172188 
1 1 1 8   -22 1  o 152.779 3.1615  3149.35   129.368   3148.84   183.720   3149.86   182.198   152.762 4.4901  152.796 4.4519  -0.3445435E-01 6.322968 
1 1 1 8   -22 2  o 76.760  2.1077  791.558   43.334    791.356   61.506    791.757   61.063    76.749  2.9919  76.770  2.9696  -0.2121735E-01 4.215463 
1 1 1 8   -22 3  o 75.929  2.1009  775.366   42.659    728.187   60.508    821.988   60.150    73.622  3.0684  78.236  2.8704  -4.613579      4.201731 
1 1 1 8   -22 4  o 237.437 4.5639  7652.95   290.185   7488.42   411.106   7816.32   409.666   234.853 6.5353  240.020 6.3722  -5.167130      9.127768 
1 1 1 8   -22 5  f 95.527  2.3561  1227.29   60.233    1174.88   85.490    1278.96   84.876    93.492  3.4139  97.562  3.2480  -4.070160      4.712167 
1 1 1 8   -22 6  o 77.934  2.1102  815.638   44.037    840.704   62.538    790.984   62.021    79.124  2.9509  76.744  3.0172  2.380112       4.220330 
1 1 1 8   -22 7  o 70.022  2.0353  658.310   38.172    653.407   53.953    663.223   54.013    69.760  2.8875  70.284  2.8692  -0.5232010     4.070610 
1 1 1 8   -22 8  o 134.632 2.8663  2439.75   103.358   2425.12   146.341   2454.31   146.000   134.227 4.0704  135.038 4.0365  -0.8109894     5.732519 
1 1 1 8   -22 9  o 168.995 3.4436  3852.74   155.873   3875.30   220.552   3830.22   220.324   169.492 4.8582  168.498 4.8818  0.9947205      6.887206 
1 1 1 8   -22 10 o 171.085 3.4207  3948.62   156.753   3958.25   221.641   3938.99   221.723   171.296 4.8308  170.875 4.8444  0.4209595      6.841402 
1 1 1 8   -22 11 o 79.240  2.1283  842.988   45.162    820.510   63.172    866.485   64.590    78.160  3.0175  80.321  3.0022  -2.161087      4.256636 
1 1 1 8   -22 12 o 167.715 3.3891  3795.50   152.239   3823.03   214.965   3767.80   215.635   168.332 4.7677  167.098 4.8179  1.233276       6.778167 
1 1 1 8   -22 13 o 52.499  1.9851  371.017   27.794    352.790   38.919    389.989   39.706    51.176  2.8506  53.823  2.7635  -2.647514      3.970266 
1 1 1 8   -22 14 o 107.949 2.4481  1567.14   70.783    1551.79   99.653    1582.76   100.557   107.416 3.4636  108.483 3.4607  -1.067200      4.896218 
1 1 1 8   -22 15 o 115.876 2.5495  1806.77   79.127    1785.48   111.312   1828.52   112.503   115.186 3.6079  116.566 3.6033  -1.380539      5.099086 
1 1 1 8   -22 16 o 101.421 2.3472  1383.89   63.749    1411.94   89.897    1355.52   90.414    102.461 3.2756  100.381 3.3627  2.079628       4.694438 
1 1 1 8   -22 17 o 108.445 2.4634  1583.20   71.551    1594.89   101.027   1571.43   101.349   108.850 3.4652  108.040 3.5022  0.8097229      4.926767 
1 1 1 8   -22 18 o 146.689 3.0487  2906.68   119.784   2896.06   169.421   2917.30   169.379   146.419 4.3200  146.960 4.3030  -0.5408478     6.097374 
1 1 1 8   -22 19 o 48.608  1.8889  318.487   24.495    321.193   34.978    315.883   34.314    48.809  2.6858  48.407  2.6567  0.4027557      3.777743 
1 1 1 8   -22 20 f 51.312  1.8987  354.833   25.996    367.335   37.185    342.882   36.356    52.200  2.6685  50.424  2.7017  1.776131       3.797388 
1 1 1 8   -22 21 o 32.605  2.0403  144.294   17.621    141.853   25.260    146.609   24.593    32.325  2.9500  32.885  2.8193  -0.5604782     4.080579 
1 1 1 8   -22 22 o 19.836  2.8504  57.290    14.542    39.537    21.589    72.035    19.675    16.799  4.6432  22.873  3.3075  -6.074352      5.700772 
1 1 1 8   -22 23 o 38.682  2.0008  202.886   20.560    199.454   29.682    206.051   28.506    38.353  2.9111  39.012  2.7455  -0.6588631     4.001548 
1 1 1 8   -22 24 o 32.089  2.0743  140.012   17.581    141.637   25.918    138.628   23.927    32.245  3.0367  31.934  2.8266  0.3110790      4.148648 
1 1 1 8   -22 25 o 53.710  1.9713  390.877   28.223    377.132   40.980    403.277   38.925    52.750  2.9117  54.669  2.6583  -1.919209      3.942613 
1 1 1 8   -22 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -22 27 o 68.979  2.9380  645.169   54.283    0.0000    0.0000    645.169   54.283    ?       ?       68.979  2.9380  ?              ?        
1 1 1 8   -22 28 o 29.861  2.2584  122.695   17.462    151.861   25.449    96.745    24.005    33.324  2.8794  26.397  3.4799  6.926977       4.516774 
1 1 1 8   -22 29 o 35.947  2.1272  176.842   20.267    189.005   29.407    165.837   27.971    37.137  2.9814  34.757  3.0350  2.380035       4.254398 
1 1 1 8   -22 30 o 17.867  3.0315  45.795    14.684    62.981    21.311    30.260    20.262    21.024  3.9288  14.709  4.6179  6.315178       6.063037 
1 1 1 8   -22 31 o 23.877  2.7720  82.186    16.876    68.786    24.591    94.115    23.203    21.818  4.3606  25.936  3.4236  -4.118938      5.543970 
1 1 1 8   -22 32 o 32.171  2.3901  143.982   20.254    155.136   29.390    133.893   27.950    33.385  3.3312  30.958  3.4283  2.426895       4.780160 
1 1 1 8   -22 33 o 18.223  2.7189  46.101    15.982    99.370    22.924    -4.2662   22.291    26.623  3.2845  9.8232  4.3339  16.79949       5.437891 
1 1 1 8   -22 34 o 42.172  2.2880  248.741   25.571    237.301   36.959    259.246   35.415    41.157  3.3826  43.187  3.0818  -2.030586      4.576005 
1 1 1 8   -22 35 o 18.687  3.2911  52.958    16.459    47.260    23.954    58.055    22.654    17.648  4.8957  19.726  4.3997  -2.077763      6.582235 
1 1 1 8   -22 36 o 8.5354  2.7572  -10.3749  14.036    -12.6779  19.270    -7.7725   20.485    8.1585  3.7678  8.9124  4.0265  -0.7539186     5.514391 
1 1 1 8   -22 37 o 21.270  3.4212  70.498    19.168    84.958    27.618    57.060    26.625    23.588  4.5362  18.953  5.1226  4.634157       6.842362 
1 1 1 8   -22 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -22 39 o 11.268  3.2750  7.2961    16.994    -10.6196  23.679    26.327    24.405    9.1169  4.1983  13.419  5.0276  -4.302329      6.550043 
1 1 1 8   -22 40 o 13.581  3.5778  27.053    17.990    41.329    26.273    14.450    24.684    15.521  5.2821  11.641  4.8273  3.879919       7.155670 
1 1 1 8   -22 41 o 12.411  3.4431  20.060    17.168    7.7044    23.093    35.326    25.670    10.493  4.5228  14.330  5.1927  -3.836504      6.886179 
1 1 1 8   -22 42 o 14.901  3.6652  39.863    18.890    54.371    26.185    24.120    27.276    17.160  5.2266  12.641  5.1398  4.518690       7.330377 
1 1 1 8   -22 43 o 10.869  3.3254  11.127    17.821    13.572    24.615    8.4347    25.835    11.070  4.7180  10.668  4.6876  0.4025230      6.650757 
1 1 1 8   -22 44 o 20.935  4.0652  89.431    23.686    78.560    33.345    100.504   33.651    19.272  5.9035  22.599  5.5902  -3.327185      8.130302 
1 1 1 8   -22 45 o 16.008  3.2073  54.620    16.775    20.947    30.956    68.618    19.959    11.770  5.1526  20.246  3.8207  -8.475917      6.414553 
1 1 1 8   -22 46 o 8.8051  4.2012  -10.1420  27.608    -10.1420  27.608    0.0000    0.0000    8.8051  4.2012  ?       ?       ?              ?        
1 1 1 8   -21 0  o 20.677  3.1887  58.763    17.092    0.0000    0.0000    58.763    17.092    ?       ?       20.677  3.1887  ?              ?        
1 1 1 8   -21 1  o 122.501 2.6716  2018.45   87.628    1978.03   124.700   2057.88   123.164   121.281 3.8387  123.721 3.7166  -2.439766      5.343136 
1 1 1 8   -21 2  o 41.861  1.8974  236.132   21.145    248.598   30.065    223.931   29.743    42.965  2.6252  40.758  2.7404  2.206291       3.794883 
1 1 1 8   -21 3  o 184.883 3.6759  4611.40   181.984   4502.91   258.035   4718.78   256.697   182.700 5.2729  187.066 5.1231  -4.366089      7.351890 
1 1 1 8   -21 4  o 70.320  2.0150  663.668   37.934    691.006   53.886    636.809   53.411    71.758  2.8036  68.882  2.8949  2.876160       4.029954 
1 1 1 8   -21 5  o 202.324 3.9745  5526.99   215.363   5449.69   305.218   5603.63   303.926   200.901 5.6720  203.748 5.5691  -2.847641      7.949023 
1 1 1 8   -21 6  o 125.353 2.7567  2112.57   92.557    2108.59   131.281   2116.50   130.512   125.234 3.9137  125.472 3.8834  -0.2381287     5.513443 
1 1 1 8   -21 7  o 154.723 3.2322  3223.65   133.920   3149.18   189.569   3297.84   189.213   152.928 4.6280  156.517 4.5134  -3.588715      6.464407 
1 1 1 8   -21 8  o 165.403 3.3611  3685.13   148.907   3681.83   210.660   3688.42   210.512   165.328 4.7571  165.477 4.7495  -0.1494141     6.722233 
1 1 1 8   -21 9  o 284.950 5.5178  11047.35  421.041   10769.88  595.275   11325.14  595.608   281.314 7.9002  288.586 7.7054  -7.272552      11.03569 
1 1 1 8   -21 10 o 165.379 3.3269  3684.21   147.362   3628.86   208.058   3739.94   208.747   164.127 4.7328  166.631 4.6771  -2.504410      6.653883 
1 1 1 8   -21 11 o 100.843 2.3382  1366.68   63.119    1407.26   88.774    1325.20   89.763    102.364 3.2378  99.323  3.3741  3.040955       4.676310 
1 1 1 8   -21 12 o 15.848  3.0257  34.946    13.143    34.284    18.864    35.571    18.321    15.722  4.3381  15.975  4.2192  -0.2526808     6.051476 
1 1 1 8   -21 13 o 108.450 2.4338  1580.32   70.693    1570.61   99.424    1590.25   100.535   108.114 3.4334  108.786 3.4503  -0.6721497     4.867506 
1 1 1 8   -21 14 o 38.044  1.9470  195.131   19.674    180.730   27.431    210.386   28.233    36.585  2.8211  39.503  2.6843  -2.917789      3.894044 
1 1 1 8   -21 15 o 117.555 2.5700  1858.17   80.921    1851.47   114.027   1864.96   114.856   117.342 3.6280  117.768 3.6411  -0.4252548     5.140033 
1 1 1 8   -21 16 o 61.492  1.8995  507.601   31.285    514.293   44.274    500.927   44.213    61.898  2.6704  61.087  2.7022  0.8112755      3.799083 
1 1 1 8   -21 17 o 52.627  1.8941  372.363   26.646    380.056   37.674    364.663   37.693    53.208  2.6435  52.046  2.7133  1.162197       3.788108 
1 1 1 8   -21 18 o 172.126 3.4606  4002.83   159.547   3991.78   225.707   4013.88   225.560   171.886 4.9025  172.366 4.8856  -0.4804382     6.921240 
1 1 1 8   -21 19 o 71.516  2.0285  687.219   38.853    686.834   55.303    687.595   54.595    71.494  2.8880  71.537  2.8493  -0.4274750E-01 4.056939 
1 1 1 8   -21 20 o 21.847  2.5396  65.834    14.326    68.141    20.912    63.793    19.665    22.206  3.6421  21.487  3.5401  0.7190704      5.079124 
1 1 1 8   -21 21 o 66.450  1.9743  593.547   35.128    598.235   50.422    589.126   48.967    66.702  2.8222  66.198  2.7616  0.5042114      3.948625 
1 1 1 8   -21 22 o 27.859  2.2597  105.262   16.497    117.308   24.365    95.066    22.417    29.348  3.1487  26.370  3.2421  2.978354       4.519473 
1 1 1 8   -21 23 o 57.559  1.9753  447.000   30.353    435.130   43.780    457.985   42.119    56.776  2.8884  58.342  2.6953  -1.566196      3.950627 
1 1 1 8   -21 24 o 47.677  1.9770  306.965   25.098    311.664   36.630    302.806   34.458    48.012  2.8614  47.342  2.7289  0.6691055      3.954071 
1 1 1 8   -21 25 o 39.238  2.0569  211.627   21.145    179.731   30.799    240.065   29.082    36.338  3.1969  42.139  2.5891  -5.801178      4.113871 
1 1 1 8   -21 26 o 27.833  2.2208  105.887   16.250    109.883   23.663    102.320   22.354    28.330  3.1729  27.337  3.1082  0.9924316      4.441661 
1 1 1 8   -21 27 o 56.980  4.2387  446.356   64.228    446.356   64.228    0.0000    0.0000    56.980  4.2387  ?       ?       ?              ?        
1 1 1 8   -21 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -21 29 o 45.135  2.0981  279.517   25.063    256.314   36.426    300.377   34.538    43.282  3.1640  46.988  2.7563  -3.705776      4.196204 
1 1 1 8   -21 30 o 48.543  2.0849  321.278   26.950    340.760   39.136    303.707   37.166    49.948  2.9382  47.139  2.9586  2.809479       4.169736 
1 1 1 8   -21 31 f 34.657  2.2752  166.680   20.747    152.352   29.993    179.827   28.730    33.140  3.4284  36.173  2.9921  -3.032990      4.550436 
1 1 1 8   -21 32 o 16.994  3.1281  42.734    15.236    22.987    22.369    59.824    20.810    13.554  4.8556  20.433  3.9451  -6.879456      6.256254 
1 1 1 8   -21 33 o 19.781  3.0158  59.329    15.746    35.624    23.101    79.900    21.519    15.756  4.9282  23.807  3.4773  -8.050654      6.031513 
1 1 1 8   -21 34 o 8.4564  2.6665  -10.2644  12.835    -23.4232  17.803    3.9773    18.521    6.9834  3.3434  9.9294  4.1548  -2.945975      5.332976 
1 1 1 8   -21 35 o 16.239  3.4954  39.098    16.566    39.323    23.178    38.864    23.688    16.277  4.9083  16.201  4.9779  0.7602501E-01  6.990797 
1 1 1 8   -21 36 o 25.695  3.1184  99.792    20.201    70.602    28.766    128.192   28.375    21.444  5.0855  29.946  3.6104  -8.502083      6.236756 
1 1 1 8   -21 37 o 28.728  2.8309  121.021   21.175    126.434   30.101    115.718   29.794    29.424  3.9167  28.032  4.0884  1.392368       5.661762 
1 1 1 8   -21 38 o 21.060  3.4690  71.201    19.475    53.373    28.280    87.282    26.859    18.149  5.4103  23.971  4.3432  -5.821798      6.937903 
1 1 1 8   -21 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -21 40 o 31.943  2.9552  157.764   24.674    160.841   35.295    154.824   34.506    32.245  4.1854  31.642  4.1731  0.6023712      5.910389 
1 1 1 8   -21 41 o 17.022  3.4842  48.968    19.651    81.454    27.444    14.787    28.152    22.077  4.7796  11.967  5.0710  10.10985       6.968486 
1 1 1 8   -21 42 o 10.307  3.2164  3.8627    17.399    -1.4826   23.859    9.9342    25.428    9.6392  4.3510  10.975  4.7381  -1.335483      6.432759 
1 1 1 8   -21 43 f 21.596  3.8397  87.584    22.357    98.608    31.431    76.295    31.808    23.417  5.1512  19.776  5.6955  3.641048       7.679425 
1 1 1 8   -21 44 o 14.908  3.2832  42.751    16.113    19.430    28.316    53.919    19.595    11.938  5.0734  17.878  4.1688  -5.939631      6.566473 
1 1 1 8   -21 45 o 14.670  3.5583  41.374    16.206    42.909    30.503    40.771    19.129    14.330  5.5586  15.011  4.4438  -0.6816969     7.116595 
1 1 1 8   -21 46 o 9.2141  2.8291  6.9332    13.593    -18.2599  26.963    15.518    15.740    8.3744  4.0359  10.054  3.9656  -1.679273      5.658140 
1 1 1 8   -20 0  o 45.561  2.6277  279.377   31.931    0.0000    0.0000    279.377   31.931    ?       ?       45.561  2.6277  ?              ?        
1 1 1 8   -20 1  o 145.801 4.3508  2859.50   169.911   0.0000    0.0000    2859.50   169.911   ?       ?       145.801 4.3508  ?              ?        
1 1 1 8   -20 2  o 84.333  3.0764  954.539   69.490    0.0000    0.0000    954.539   69.490    ?       ?       84.333  3.0764  ?              ?        
1 1 1 8   -20 3  o 21.263  3.0512  57.545    15.519    77.649    29.484    49.842    18.251    23.591  4.8286  18.934  3.7315  4.656948       6.102422 
1 1 1 8   -20 4  o 166.595 3.4007  3736.81   151.735   3698.61   215.208   3774.57   213.968   165.741 4.8477  167.448 4.7707  -1.707321      6.801457 
1 1 1 8   -20 5  o 137.359 2.9010  2536.86   106.717   2501.79   151.367   2571.53   150.478   136.410 4.1428  138.308 4.0620  -1.898697      5.801948 
1 1 1 8   -20 6  o 59.467  1.9236  474.392   30.639    471.931   43.206    476.882   43.456    59.312  2.7196  59.622  2.7212  -0.3102226     3.847225 
1 1 1 8   -20 7  o 66.102  1.9718  586.449   34.898    602.817   49.200    569.876   49.507    67.032  2.7403  65.171  2.8361  1.861237       3.943676 
1 1 1 8   -20 8  o 168.912 3.4113  3842.09   154.325   3789.51   218.189   3894.73   218.308   167.749 4.8561  170.074 4.7923  -2.325043      6.822545 
1 1 1 8   -20 9  o 87.354  2.1778  1024.33   50.948    1030.95   71.623    1017.55   72.487    87.641  3.0511  87.066  3.1083  0.5750732      4.355512 
1 1 1 8   -20 10 o 59.289  1.9009  471.782   30.162    476.396   41.912    466.826   43.439    59.593  2.6258  58.986  2.7494  0.6063423      3.801853 
1 1 1 8   -20 11 o 92.292  2.2272  1143.31   55.051    1128.25   77.181    1158.90   78.544    91.674  3.1432  92.910  3.1562  -1.235695      4.454347 
1 1 1 8   -20 12 o 106.761 2.4186  1530.76   69.158    1511.39   97.252    1550.58   98.365    106.077 3.4228  107.445 3.4179  -1.367126      4.837173 
1 1 1 8   -20 13 o 66.549  1.9338  594.096   34.463    586.201   48.184    602.366   49.313    66.097  2.7216  67.001  2.7478  -0.9039612     3.867525 
1 1 1 8   -20 14 o 86.310  2.1487  999.877   49.669    983.208   69.699    1017.08   70.798    85.579  3.0407  87.041  3.0368  -1.461761      4.297400 
1 1 1 8   -20 15 o 167.145 3.3541  3764.48   150.157   3798.51   212.077   3730.27   212.632   167.909 4.7155  166.382 4.7713  1.526932       6.708283 
1 1 1 8   -20 16 o 104.358 2.3715  1463.20   66.283    1477.53   93.571    1448.77   93.907    104.873 3.3311  103.843 3.3762  1.030159       4.742933 
1 1 1 8   -20 17 o 170.610 3.4246  3925.22   156.492   3908.33   221.391   3942.09   221.237   170.240 4.8552  170.980 4.8308  -0.7396698     6.849103 
1 1 1 8   -20 18 o 151.282 3.0724  3083.27   124.490   3050.13   176.270   3116.25   175.841   150.465 4.3737  152.099 4.3162  -1.633942      6.144875 
1 1 1 8   -20 19 o 83.366  2.1270  933.495   47.488    938.723   67.805    928.463   66.530    83.594  3.0283  83.139  2.9876  0.4546890      4.253987 
1 1 1 8   -20 20 o 124.335 2.7089  2081.31   90.209    2093.37   128.317   2069.53   126.846   124.689 3.8421  123.981 3.8197  0.7081604      5.417756 
1 1 1 8   -20 21 o 46.467  1.9170  291.155   23.716    288.238   34.442    293.786   32.703    46.236  2.7943  46.698  2.6252  -0.4626312     3.834037 
1 1 1 8   -20 22 o 134.092 2.8628  2425.71   102.812   2456.06   146.487   2396.25   144.334   134.917 4.0536  133.266 4.0435  1.650467       5.725554 
1 1 1 8   -20 23 o 50.940  1.9474  350.127   26.440    344.890   38.161    354.961   36.667    50.563  2.8291  51.317  2.6769  -0.7542496     3.894790 
1 1 1 8   -20 24 o 51.944  1.9729  364.635   27.282    354.893   39.655    373.391   37.593    51.266  2.8998  52.621  2.6761  -1.354420      3.945868 
1 1 1 8   -20 25 o 37.903  2.0467  193.698   20.570    209.834   30.377    180.035   27.954    39.361  2.9018  36.446  2.8872  2.915535       4.093445 
1 1 1 8   -20 26 o 84.547  2.2411  965.466   50.735    956.987   72.495    973.604   71.027    84.173  3.2155  84.921  3.1226  -0.7481613     4.482203 
1 1 1 8   -20 27 o 38.783  2.0991  204.055   21.604    208.936   31.616    199.778   29.591    39.207  3.0342  38.358  2.9016  0.8492813      4.198272 
1 1 1 8   -20 28 o 33.215  2.6154  152.184   22.369    153.471   28.934    150.272   35.268    33.490  3.2672  32.940  4.0850  0.5497627      5.230834 
1 1 1 8   -20 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -20 30 o 24.689  2.5465  84.566    16.181    101.596   23.790    69.906    22.073    27.097  3.3492  22.281  3.8370  4.815163       5.093093 
1 1 1 8   -20 31 o 23.641  2.6587  78.542    16.260    82.771    23.437    74.617    22.577    24.277  3.7231  23.005  3.7966  1.272306       5.317442 
1 1 1 8   -20 32 o 48.473  2.1900  321.934   28.223    352.313   40.899    294.316   38.995    50.686  3.0263  46.260  3.1662  4.426720       4.379909 
1 1 1 8   -20 33 o 40.379  2.2973  225.808   24.451    259.435   35.040    193.891   34.137    43.412  3.0324  37.346  3.4517  6.066589       4.594556 
1 1 1 8   -20 34 o 12.986  3.1966  20.610    14.040    31.265    20.529    11.246    19.245    14.816  4.6477  11.157  4.3900  3.658493       6.393236 
1 1 1 8   -20 35 o 37.603  2.3517  197.746   23.417    190.564   33.370    204.714   32.870    36.883  3.4167  38.324  3.2323  -1.441002      4.703372 
1 1 1 8   -20 36 o 41.062  2.3725  236.895   25.859    233.459   36.762    240.261   36.382    40.740  3.4000  41.383  3.3099  -0.6436691     4.745038 
1 1 1 8   -20 37 o 16.192  3.4954  37.482    17.408    57.832    25.873    20.649    23.530    19.376  4.9632  13.008  4.9232  6.367800       6.990791 
1 1 1 8   -20 38 o 13.047  3.3457  20.773    16.149    4.8997    23.102    35.941    22.583    10.750  4.5758  15.345  4.8821  -4.595302      6.691311 
1 1 1 8   -20 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -20 40 o 23.877  3.5431  92.912    21.936    96.355    30.852    89.392    31.196    24.446  4.8828  23.308  5.1356  1.137657       7.086275 
1 1 1 8   -20 41 o 18.259  3.9509  59.657    21.130    60.127    29.329    59.151    30.469    18.392  5.5158  18.126  5.6583  0.2652454      7.901884 
1 1 1 8   -20 42 o 23.118  3.0564  85.058    17.205    91.928    30.176    81.749    20.943    23.107  5.0192  23.129  3.4891  -0.2234650E-01 6.112763 
1 1 1 8   -20 43 o 22.271  3.0959  82.133    16.961    83.006    29.014    81.679    20.905    21.577  5.1008  22.965  3.5100  -1.388704      6.191822 
1 1 1 8   -20 44 o 8.2247  2.6657  -4.0462   11.912    -1.7184   22.601    -4.9416   14.018    9.2690  4.2045  7.1805  3.2779  2.088505       5.331312 
1 1 1 8   -20 45 o 11.751  3.2694  21.801    14.315    22.202    26.682    21.638    16.963    11.997  5.0005  11.505  4.2132  0.4913855      6.538781 
1 1 1 8   -20 46 o 16.769  3.6455  52.446    16.670    73.370    31.219    44.102    19.715    18.166  5.7362  15.373  4.5004  2.793451       7.290917 
1 1 1 8   -20 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -19 0  o 45.581  2.6970  279.656   32.781    0.0000    0.0000    279.656   32.781    ?       ?       45.581  2.6970  ?              ?        
1 1 1 8   -19 1  o 105.944 3.4645  1507.04   98.312    0.0000    0.0000    1507.04   98.312    ?       ?       105.944 3.4645  ?              ?        
1 1 1 8   -19 2  o 96.370  3.2617  1246.62   84.193    0.0000    0.0000    1246.62   84.193    ?       ?       96.370  3.2617  ?              ?        
1 1 1 8   -19 3  o 159.266 4.5907  3412.45   195.836   0.0000    0.0000    3412.45   195.836   ?       ?       159.266 4.5907  ?              ?        
1 1 1 8   -19 4  o 77.173  2.8951  799.038   59.843    0.0000    0.0000    799.038   59.843    ?       ?       77.173  2.8951  ?              ?        
1 1 1 8   -19 5  o 167.163 4.7608  3760.65   213.163   0.0000    0.0000    3760.65   213.163   ?       ?       167.163 4.7608  ?              ?        
1 1 1 8   -19 6  o 154.362 3.1544  3205.79   130.371   3112.98   184.632   3298.09   184.115   152.122 4.5313  156.601 4.3894  -4.479187      6.308705 
1 1 1 8   -19 7  o 101.399 2.3902  1380.43   64.916    1371.91   91.734    1388.98   91.877    101.085 3.3881  101.713 3.3724  -0.6282043     4.780393 
1 1 1 8   -19 8  o 128.770 2.7429  2228.09   94.604    2232.82   133.665   2223.35   133.915   128.907 3.8712  128.632 3.8868  0.2751617      5.485768 
1 1 1 8   -19 9  o 56.964  1.8532  434.972   28.266    421.306   39.435    449.412   40.537    56.045  2.6270  57.884  2.6146  -1.839649      3.706365 
1 1 1 8   -19 10 o 76.376  2.0100  782.297   41.092    742.929   57.483    823.440   58.764    74.410  2.8842  78.343  2.8004  -3.932495      4.020047 
1 1 1 8   -19 11 f 259.667 4.9471  9132.98   344.073   9174.37   486.267   9091.48   486.919   260.265 6.9754  259.069 7.0170  1.195862       9.894172 
1 1 1 8   -19 12 o 99.756  2.2845  1335.90   61.035    1311.42   85.905    1360.86   86.733    98.832  3.2451  100.680 3.2162  -1.848251      4.568920 
1 1 1 8   -19 13 o 76.960  2.0082  794.604   41.384    767.997   58.102    822.002   58.960    75.651  2.8674  78.269  2.8124  -2.617638      4.016404 
1 1 1 8   -19 14 o 16.379  2.8017  37.534    12.241    30.717    17.250    44.448    17.373    14.903  4.1618  17.854  3.7522  -2.950557      5.603489 
1 1 1 8   -19 15 o 189.320 3.7351  4834.24   189.403   4828.56   267.716   4839.94   267.996   189.208 5.2826  189.431 5.2819  -0.2230835     7.470190 
1 1 1 8   -19 16 o 50.360  1.8474  341.032   24.846    326.796   35.305    355.002   34.973    49.279  2.6849  51.442  2.5382  -2.163593      3.694761 
1 1 1 8   -19 17 o 187.594 3.7211  4748.82   186.938   4648.79   264.577   4848.53   264.163   185.605 5.3220  189.582 5.2022  -3.977249      7.442185 
1 1 1 8   -19 18 o 104.160 2.4018  1457.70   67.003    1456.33   95.275    1459.05   94.245    104.110 3.4166  104.211 3.3764  -0.1007996     4.803514 
1 1 1 8   -19 19 o 91.017  2.2145  1112.25   53.978    1135.96   77.203    1089.57   75.497    91.965  3.1342  90.068  3.1295  1.896805       4.429054 
1 1 1 8   -19 20 o 101.709 2.3689  1390.25   64.522    1393.22   92.178    1387.40   90.346    101.812 3.3802  101.605 3.3197  0.2064438      4.737755 
1 1 1 8   -19 21 o 116.557 2.5662  1827.41   80.107    1844.31   114.274   1811.09   112.329   117.085 3.6438  116.030 3.6144  1.055199       5.132371 
1 1 1 8   -19 22 o 61.145  2.0034  504.522   32.639    471.994   47.066    534.659   45.302    59.192  2.9781  63.098  2.6805  -3.905849      4.006753 
1 1 1 8   -19 23 o 94.366  2.3167  1197.34   58.534    1243.97   83.894    1153.10   81.709    96.158  3.2573  92.574  3.2953  3.583603       4.633445 
1 1 1 8   -19 24 o 112.351 2.5547  1702.29   76.846    1665.10   109.452   1738.44   107.918   111.127 3.6772  113.575 3.5475  -2.447578      5.109443 
1 1 1 8   -19 25 o 120.520 2.7347  1963.89   88.205    1889.51   125.455   2036.61   124.040   118.235 3.9614  122.804 3.7710  -4.568634      5.469323 
1 1 1 8   -19 26 o 50.577  2.0494  344.548   27.600    370.753   40.352    321.510   37.835    52.386  2.8870  48.769  2.9097  3.617496       4.098871 
1 1 1 8   -19 27 o 27.998  2.4560  107.666   17.997    101.668   25.409    113.705   25.494    27.183  3.5766  28.813  3.3668  -1.630062      4.911973 
1 1 1 8   -19 28 o 72.660  2.1307  713.345   41.458    715.892   59.287    710.907   57.996    72.781  3.0412  72.539  2.9850  0.2418137      4.261352 
1 1 1 8   -19 29 o 25.665  3.8975  91.729    25.950    91.729    25.950    0.0000    0.0000    25.665  3.8975  ?       ?       ?              ?        
1 1 1 8   -19 30 o 25.595  5.9786  95.668    40.247    0.0000    0.0000    95.668    40.247    ?       ?       25.595  5.9786  ?              ?        
1 1 1 8   -19 31 o 56.952  2.1336  442.693   32.410    420.797   46.456    463.458   45.239    55.499  3.1380  58.405  2.8918  -2.906841      4.267241 
1 1 1 8   -19 32 o 18.619  3.0140  51.019    15.303    27.750    21.853    73.409    21.436    14.386  4.8177  22.852  3.6231  -8.465977      6.028074 
1 1 1 8   -19 33 o 37.814  2.2508  197.166   22.568    207.794   32.349    187.089   31.500    38.829  3.1372  36.800  3.2283  2.028236       4.501575 
1 1 1 8   -19 34 o 36.115  2.3039  180.749   21.996    196.539   31.581    165.870   30.655    37.695  3.1569  34.536  3.3564  3.159195       4.607771 
1 1 1 8   -19 35 o 11.363  3.1073  9.0733    14.404    24.355    20.714    -5.2336   20.043    13.530  4.6871  9.1967  4.0809  4.333627       6.214682 
1 1 1 8   -19 36 o 47.531  2.3291  315.333   29.467    310.295   41.584    320.414   41.761    47.136  3.3148  47.926  3.2728  -0.7901840     4.658231 
1 1 1 8   -19 37 o 25.833  3.1510  101.225   20.461    132.743   28.742    68.840    29.135    30.512  3.5852  21.153  5.1829  9.359118       6.302059 
1 1 1 8   -19 38 o 16.443  3.5830  41.353    17.566    49.698    24.927    33.120    24.759    17.885  5.0058  15.002  5.1276  2.882808       7.165927 
1 1 1 8   -19 39 o 30.970  2.9237  143.260   23.500    128.428   33.269    158.029   33.199    29.148  4.3981  32.792  3.8533  -3.643702      5.847305 
1 1 1 8   -19 40 o 21.841  5.1655  78.019    29.745    0.0000    0.0000    78.019    29.745    ?       ?       21.841  5.1655  ?              ?        
1 1 1 8   -19 41 o 19.826  3.1881  69.209    16.322    44.812    28.200    81.500    20.016    16.175  5.4726  23.477  3.2720  -7.302151      6.376153 
1 1 1 8   -19 42 o 25.904  2.8249  102.441   18.250    115.358   30.809    95.459    22.651    26.691  4.4674  25.117  3.4587  1.574539       5.649759 
1 1 1 8   -19 43 o 12.712  2.9987  27.288    13.884    -1.6586   26.003    38.831    16.421    9.9547  4.5134  15.470  3.9495  -5.515082      5.997394 
1 1 1 8   -19 44 o 24.466  3.2138  102.653   18.923    95.946    32.865    105.979   23.144    22.667  5.4748  26.264  3.3676  -3.596405      6.427568 
1 1 1 8   -19 45 o 14.512  3.5392  38.101    15.872    42.417    29.261    36.302    18.894    14.668  5.5033  14.355  4.4515  0.3132038      7.078322 
1 1 1 8   -19 46 o 17.164  3.5898  59.972    17.699    53.052    32.010    63.020    21.241    15.387  5.7593  18.941  4.2869  -3.553443      7.179638 
1 1 1 8   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 0  o 209.701 5.8110  5929.50   326.391   5929.50   326.391   0.0000    0.0000    209.701 5.8110  ?       ?       ?              ?        
1 1 1 8   -18 1  o 193.125 5.3630  5023.85   277.416   5023.85   277.416   0.0000    0.0000    193.125 5.3630  ?       ?       ?              ?        
1 1 1 8   -18 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 6  o 154.403 6.3255  3218.08   261.601   0.0000    0.0000    3218.08   261.601   ?       ?       154.403 6.3255  ?              ?        
1 1 1 8   -18 7  o 111.663 3.5022  1673.92   104.745   0.0000    0.0000    1673.92   104.745   ?       ?       111.663 3.5022  ?              ?        
1 1 1 8   -18 8  o ?       ?       3944.54   15426.10  3862.74   26721.59  3985.42   18892.04  ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 9  f 129.426 2.7257  2250.12   94.488    2233.72   133.185   2266.75   134.071   128.951 3.8560  129.901 3.8533  -0.9500122     5.451325 
1 1 1 8   -18 10 o ?       ?       828.043   13986.19  803.917   24226.09  840.104   17129.06  ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 11 o 128.075 43.369  5820.69   4242.76   5886.21   6002.03   5755.24   5998.31   128.323 61.423  127.827 61.243  0.4960251      86.73827 
1 1 1 8   -18 12 o 170.178 6.8150  3918.09   310.640   3918.09   310.640   0.0000    0.0000    170.178 6.8150  ?       ?       ?              ?        
1 1 1 8   -18 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 15 o 15.656  5.5396  28.697    29.029    0.0000    0.0000    28.697    29.029    ?       ?       15.656  5.5396  ?              ?        
1 1 1 8   -18 16 o 197.377 3.8640  5256.17   204.276   5285.32   289.229   5227.16   288.551   197.926 5.4557  196.829 5.4732  1.096588       7.727947 
1 1 1 8   -18 17 o 95.470  2.2509  1223.57   57.529    1279.59   82.017    1169.32   80.714    97.624  3.1366  93.316  3.2293  4.308304       4.501827 
1 1 1 8   -18 18 o 106.566 2.4266  1525.99   69.245    1506.98   98.699    1544.42   97.173    105.908 3.4793  107.225 3.3835  -1.316849      4.853182 
1 1 1 8   -18 19 o 54.500  1.9220  397.880   27.959    429.916   40.782    369.470   38.405    56.602  2.6900  52.399  2.7460  4.203358       3.843980 
1 1 1 8   -18 20 o 116.815 2.6144  1834.89   81.784    1821.40   116.648   1847.94   114.697   116.387 3.7418  117.243 3.6524  -0.8558121     5.228886 
1 1 1 8   -18 21 o 150.930 3.1077  3069.12   125.614   3045.24   178.703   3092.45   176.606   150.341 4.4378  151.519 4.3516  -1.178253      6.215320 
1 1 1 8   -18 22 o 142.068 3.0047  2720.37   114.291   2660.44   162.704   2778.75   160.580   140.508 4.3232  143.629 4.1741  -3.120453      6.009423 
1 1 1 8   -18 23 o 88.050  2.2488  1042.20   53.014    1041.33   76.036    1043.03   73.954    88.010  3.2255  88.091  3.1343  -0.8128357E-01 4.497542 
1 1 1 8   -18 24 o 70.163  2.1005  663.196   39.388    627.077   56.505    697.335   54.934    68.290  3.0892  72.036  2.8471  -3.745850      4.201066 
1 1 1 8   -18 25 o 103.891 2.4953  1454.70   69.423    1433.90   98.701    1475.07   97.667    103.148 3.5725  104.634 3.4849  -1.486183      4.990692 
1 1 1 8   -18 26 o 129.269 2.8657  2259.39   99.201    2327.76   141.054   2192.47   139.541   131.216 4.0134  127.322 4.0918  3.893929       5.731457 
1 1 1 8   -18 27 o 121.595 2.7330  2000.82   88.967    2084.56   126.491   1918.84   125.156   124.132 3.8044  119.057 3.9247  5.074776       5.465969 
1 1 1 8   -18 28 o 23.028  2.7754  74.406    16.382    68.492    24.208    79.403    22.251    22.090  4.2458  23.966  3.5756  -1.876553      5.550854 
1 1 1 8   -18 29 o 67.870  2.1450  623.076   38.886    683.538   55.488    564.721   54.512    71.132  2.9123  64.608  3.1500  6.524666       4.290037 
1 1 1 8   -18 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 31 o 45.219  2.1514  279.425   25.854    267.266   37.158    290.834   35.995    44.229  3.1574  46.210  2.9232  -1.981647      4.302783 
1 1 1 8   -18 32 o 21.451  2.9125  66.328    16.043    54.158    23.150    77.573    22.252    19.377  4.5398  23.525  3.6497  -4.147713      5.824959 
1 1 1 8   -18 33 o 19.797  3.0792  56.975    16.376    84.180    23.592    31.681    22.749    24.458  3.7184  15.136  4.9090  9.321572       6.158322 
1 1 1 8   -18 34 o 27.076  2.6369  103.178   18.596    109.207   26.576    97.395    26.029    27.893  3.6444  26.260  3.8119  1.632263       5.273736 
1 1 1 8   -18 35 o 18.582  2.9788  51.524    15.884    17.540    22.634    84.504    22.297    12.681  4.8214  24.483  3.4996  -11.80251      5.957575 
1 1 1 8   -18 36 o 74.759  2.3910  775.793   47.867    759.893   66.876    792.494   68.542    73.979  3.3750  75.539  3.3876  -1.560257      4.781925 
1 1 1 8   -18 37 o 14.635  3.5695  29.432    17.369    38.267    24.140    19.949    25.010    16.070  5.0398  13.200  5.0563  2.870428       7.139002 
1 1 1 8   -18 38 o 41.541  2.5203  245.808   27.762    253.896   39.474    237.892   39.051    42.252  3.5201  40.831  3.6079  1.420944       5.040631 
1 1 1 8   -18 39 o 22.618  2.9572  77.825    16.326    72.737    27.879    80.481    20.140    21.579  4.9312  23.657  3.2655  -2.078270      5.914431 
1 1 1 8   -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -18 41 o 19.626  3.1872  56.010    15.710    82.580    27.855    43.615    19.025    22.645  4.7442  16.606  4.2574  6.039419       6.374394 
1 1 1 8   -18 42 f 24.094  3.1416  100.102   18.232    70.936    30.195    116.837   22.872    19.986  5.4776  28.202  3.0779  -8.215794      6.283149 
1 1 1 8   -18 43 o 12.004  3.2498  19.973    13.665    26.858    24.886    17.000    16.350    13.054  5.0328  10.954  4.1130  2.099499       6.499670 
1 1 1 8   -18 44 o 22.645  3.3324  90.187    18.442    80.870    32.307    94.691    22.462    20.533  5.6818  24.757  3.4837  -4.223675      6.664803 
1 1 1 8   -18 45 o 13.790  3.3254  34.938    15.573    19.245    27.627    42.246    18.853    11.925  5.0366  15.655  4.3434  -3.730593      6.650746 
1 1 1 8   -18 46 o 9.0196  2.8955  0.1210    14.849    -10.3300  26.519    4.8945    17.922    9.0228  4.2492  9.0164  3.9345  0.6347656E-02  5.791061 
1 1 1 8   -18 47 o 19.074  6.1056  88.640    35.278    88.640    35.278    0.0000    0.0000    19.074  6.1056  ?       ?       ?              ?        
1 1 1 8   -17 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -17 1  o 246.927 6.7707  8233.37   447.807   8233.37   447.807   0.0000    0.0000    246.927 6.7707  ?       ?       ?              ?        
1 1 1 8   -17 2  o 154.034 4.5012  3189.00   185.709   3189.00   185.709   0.0000    0.0000    154.034 4.5012  ?       ?       ?              ?        
1 1 1 8   -17 3  o 141.320 4.2401  2683.08   160.498   2683.08   160.498   0.0000    0.0000    141.320 4.2401  ?       ?       ?              ?        
1 1 1 8   -17 4  o 93.704  3.1534  1177.95   79.144    0.0000    0.0000    1177.95   79.144    ?       ?       93.704  3.1534  ?              ?        
1 1 1 8   -17 5  o 109.568 3.4467  1611.10   101.151   0.0000    0.0000    1611.10   101.151   ?       ?       109.568 3.4467  ?              ?        
1 1 1 8   -17 6  o 114.177 3.5544  1749.73   108.702   0.0000    0.0000    1749.73   108.702   ?       ?       114.177 3.5544  ?              ?        
1 1 1 8   -17 7  o 58.389  2.5301  457.098   39.570    0.0000    0.0000    457.098   39.570    ?       ?       58.389  2.5301  ?              ?        
1 1 1 8   -17 8  o 179.026 5.0076  4311.45   240.123   0.0000    0.0000    4311.45   240.123   ?       ?       179.026 5.0076  ?              ?        
1 1 1 8   -17 9  o 63.357  1.8213  538.281   30.904    542.003   43.472    534.478   43.941    63.579  2.5527  63.135  2.5984  0.4442291      3.642558 
1 1 1 8   -17 10 o 89.719  2.1182  1079.93   50.898    1089.62   71.665    1070.06   72.300    90.127  2.9687  89.311  3.0223  0.8152008      4.236472 
1 1 1 8   -17 11 o 89.489  2.1140  1074.56   50.660    1092.11   71.359    1056.72   71.934    90.228  2.9527  88.751  3.0260  1.477394       4.227920 
1 1 1 8   -17 12 o 21.116  2.0251  61.184    11.049    70.478    15.692    52.047    15.559    22.775  2.6200  19.457  3.0887  3.317945       4.050283 
1 1 1 8   -17 13 o 55.070  1.7457  406.607   25.748    398.816   36.190    414.594   36.641    54.536  2.4775  55.605  2.4601  -1.068840      3.491462 
1 1 1 8   -17 14 o 110.610 2.4404  1642.76   72.293    1672.72   102.337   1612.92   102.138   111.619 3.4230  109.601 3.4793  2.017883       4.880780 
1 1 1 8   -17 15 o 83.084  2.0688  926.617   46.019    899.415   65.296    953.463   64.867    81.869  2.9777  84.299  2.8729  -2.429756      4.137619 
1 1 1 8   -17 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -17 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -17 18 o 102.367 2.3758  1407.55   65.125    1400.56   93.013    1414.27   91.215    102.114 3.4007  102.620 3.3185  -0.5054550     4.751560 
1 1 1 8   -17 19 o 213.918 4.1814  6185.07   239.569   6141.65   339.814   6227.97   337.798   213.159 5.9518  214.677 5.8747  -1.518112      8.362759 
1 1 1 8   -17 20 o 107.125 2.4573  1542.18   70.484    1530.79   100.791   1553.09   98.603    106.733 3.5256  107.518 3.4239  -0.7849960     4.914603 
1 1 1 8   -17 21 o 205.857 4.0303  5728.31   222.190   5645.48   315.176   5810.16   313.282   204.358 5.7580  207.356 5.6406  -2.998093      8.060500 
1 1 1 8   -17 22 o 221.146 4.3315  6624.16   256.553   6566.57   363.662   6681.22   361.984   220.172 6.1666  222.119 6.0844  -1.947144      8.662931 
1 1 1 8   -17 23 o 206.578 4.1409  5780.79   229.070   5658.34   324.607   5902.25   323.305   204.370 5.9300  208.787 5.7812  -4.417343      8.281732 
1 1 1 8   -17 24 o 172.030 3.4777  3998.89   160.188   4137.43   227.386   3862.39   225.702   175.009 4.8508  169.052 4.9846  5.957565       6.955307 
1 1 1 8   -17 25 o 91.032  2.3300  1114.65   56.805    1136.75   81.064    1093.33   79.623    91.919  3.2926  90.146  3.2977  1.773247       4.660017 
1 1 1 8   -17 26 o 37.627  2.1275  191.473   21.240    203.826   30.549    179.915   29.551    38.814  2.9608  36.440  3.0559  2.374458       4.254948 
1 1 1 8   -17 27 o 79.705  2.2365  855.961   47.736    880.552   67.790    831.776   67.230    80.846  3.1305  78.565  3.1948  2.280678       4.472950 
1 1 1 8   -17 28 o 85.326  2.3360  982.846   53.388    982.746   75.638    982.945   75.366    85.320  3.3098  85.331  3.2975  -0.1117706E-01 4.672027 
1 1 1 8   -17 29 o 61.578  2.1151  511.976   34.880    502.212   49.426    521.662   49.229    60.987  3.0257  62.168  2.9564  -1.181236      4.230278 
1 1 1 8   -17 30 o 9.3416  2.7540  1.6093    11.731    8.1000    16.112    -5.7135   17.113    10.176  4.0127  8.5070  3.7730  1.669174       5.507960 
1 1 1 8   -17 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -17 32 o 34.960  2.2848  168.620   21.017    150.350   29.964    186.314   29.488    33.015  3.4388  36.905  3.0094  -3.889637      4.569667 
1 1 1 8   -17 33 o 60.375  2.2115  498.775   35.634    486.677   50.023    511.238   50.775    59.623  3.1434  61.127  3.1115  -1.503197      4.422940 
1 1 1 8   -17 34 o 19.861  3.0426  57.968    15.895    76.161    22.334    39.296    22.627    23.220  3.7164  16.502  4.8185  6.717880       6.085232 
1 1 1 8   -17 35 o 18.559  3.2495  50.629    16.086    54.094    22.245    46.831    23.289    19.260  4.4075  17.858  4.7760  1.401871       6.498973 
1 1 1 8   -17 36 o 52.087  2.3196  376.889   32.150    388.439   44.801    364.627   46.162    52.972  3.1722  51.202  3.3851  1.770264       4.639139 
1 1 1 8   -17 37 o 27.109  2.9173  106.323   20.335    89.629    28.315    124.104   29.222    24.719  4.4398  29.500  3.7856  -4.781527      5.834630 
1 1 1 8   -17 38 o 42.299  2.2183  250.059   24.357    253.822   38.932    247.638   31.221    42.359  3.4617  42.239  2.7751  0.1196289      4.436677 
1 1 1 8   -17 39 o 15.585  3.2548  35.745    13.796    40.381    24.644    33.629    16.650    16.198  5.0940  14.971  4.0529  1.227348       6.509596 
1 1 1 8   -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -17 41 o 14.099  3.3815  29.917    14.451    33.617    25.981    28.260    17.390    14.659  5.2349  13.539  4.2817  1.120200       6.762959 
1 1 1 8   -17 42 o 25.462  3.1383  110.213   18.948    80.503    31.694    126.740   23.638    21.453  5.4922  29.471  3.0381  -8.018066      6.276538 
1 1 1 8   -17 43 o 21.199  3.2669  76.535    17.155    69.491    29.989    79.961    20.915    19.532  5.4990  22.866  3.5285  -3.333635      6.533752 
1 1 1 8   -17 44 o 22.502  3.3273  89.249    18.535    76.398    31.619    95.977    22.879    20.065  5.6456  24.940  3.5230  -4.874990      6.654612 
1 1 1 8   -17 45 o 14.679  3.6238  35.825    16.436    53.470    29.864    28.159    19.685    16.452  5.6314  12.906  4.5622  3.546185       7.247537 
1 1 1 8   -17 46 o 26.298  3.3521  118.781   21.445    135.228   37.714    110.923   26.069    26.524  5.4894  26.072  3.8488  0.4519920      6.704199 
1 1 1 8   -17 47 o 10.580  3.1450  15.464    15.821    -1.8061   27.940    23.615    19.195    9.5858  4.4646  11.575  4.4307  -1.989244      6.289915 
1 1 1 8   -16 0  o 133.051 4.0646  2377.11   144.854   2377.11   144.854   0.0000    0.0000    133.051 4.0646  ?       ?       ?              ?        
1 1 1 8   -16 1  o 232.420 6.4006  7280.67   398.459   7280.67   398.459   0.0000    0.0000    232.420 6.4006  ?       ?       ?              ?        
1 1 1 8   -16 2  o 259.265 6.9526  9068.05   482.817   9068.05   482.817   0.0000    0.0000    259.265 6.9526  ?       ?       ?              ?        
1 1 1 8   -16 3  o 115.924 3.6469  1803.26   113.236   1803.26   113.236   0.0000    0.0000    115.924 3.6469  ?       ?       ?              ?        
1 1 1 8   -16 4  o 280.359 7.3978  10609.95  555.529   10609.95  555.529   0.0000    0.0000    280.359 7.3978  ?       ?       ?              ?        
1 1 1 8   -16 5  o 142.497 5.8760  2732.81   224.274   0.0000    0.0000    2732.81   224.274   ?       ?       142.497 5.8760  ?              ?        
1 1 1 8   -16 6  o 103.859 3.3105  1446.88   92.093    0.0000    0.0000    1446.88   92.093    ?       ?       103.859 3.3105  ?              ?        
1 1 1 8   -16 7  o 112.051 3.4757  1684.42   104.316   0.0000    0.0000    1684.42   104.316   ?       ?       112.051 3.4757  ?              ?        
1 1 1 8   -16 8  o 189.006 5.2164  4803.36   264.078   0.0000    0.0000    4803.36   264.078   ?       ?       189.006 5.2164  ?              ?        
1 1 1 8   -16 9  o 52.248  2.4265  365.924   33.958    0.0000    0.0000    365.924   33.958    ?       ?       52.248  2.4265  ?              ?        
1 1 1 8   -16 10 o 35.215  2.3733  166.976   22.255    0.0000    0.0000    166.976   22.255    ?       ?       35.215  2.3733  ?              ?        
1 1 1 8   -16 11 o 131.159 2.7192  2309.46   95.528    2301.24   134.859   2317.74   135.335   130.924 3.8457  131.393 3.8455  -0.4685822     5.438437 
1 1 1 8   -16 12 o 22.165  1.9170  67.039    11.106    62.519    15.892    71.355    15.528    21.404  2.8422  22.926  2.5732  -1.521675      3.833986 
1 1 1 8   -16 13 o 70.467  1.8762  665.874   35.412    665.425   50.217    666.318   49.943    70.443  2.6615  70.491  2.6452  -0.4778290E-01 3.752397 
1 1 1 8   -16 14 o 53.843  1.7406  388.651   25.095    390.741   35.987    386.673   35.013    53.983  2.4889  53.702  2.4341  0.2803574      3.481296 
1 1 1 8   -16 15 o 98.569  2.2650  1303.64   59.785    1345.75   85.171    1262.74   83.939    100.140 3.1754  96.999  3.2308  3.141014       4.530013 
1 1 1 8   -16 16 o 54.043  1.7824  392.068   25.766    383.024   37.156    400.445   35.762    53.440  2.5958  54.647  2.4432  -1.206276      3.564785 
1 1 1 8   -16 17 o 61.444  1.8509  506.172   30.443    512.654   43.925    500.180   42.230    61.821  2.6527  61.067  2.5818  0.7541656      3.701710 
1 1 1 8   -16 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -16 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -16 20 o 135.740 2.9202  2480.05   106.110   2406.30   151.021   2551.95   149.122   133.733 4.2161  137.747 4.0418  -4.013687      5.840466 
1 1 1 8   -16 21 o 207.870 4.0733  5841.47   226.664   5633.80   321.187   6047.51   319.918   204.151 5.8738  211.589 5.6449  -7.437775      8.146561 
1 1 1 8   -16 22 o 285.612 5.4787  11110.41  419.112   11042.19  593.338   11178.34  592.092   284.717 7.7804  286.507 7.7155  -1.789917      10.95735 
1 1 1 8   -16 23 o 125.101 2.7359  2105.12   91.665    2149.43   130.457   2061.91   128.825   126.404 3.8532  123.799 3.8850  2.604897       5.471790 
1 1 1 8   -16 24 o 231.436 4.5232  7270.84   280.384   7327.44   396.970   7214.50   396.079   232.343 6.3788  230.528 6.4146  1.814926       9.046314 
1 1 1 8   -16 25 f 126.283 2.7868  2148.25   94.238    2212.49   133.738   2084.89   132.812   128.166 3.8958  124.399 3.9859  3.767502       5.573566 
1 1 1 8   -16 26 o 93.484  2.3601  1176.14   59.096    1183.30   83.765    1169.05   83.384    93.768  3.3352  93.201  3.3402  0.5671844      4.720244 
1 1 1 8   -16 27 o 168.486 3.5121  3852.17   158.486   3889.33   223.870   3814.84   224.398   169.314 4.9365  167.658 4.9970  1.655914       7.024127 
1 1 1 8   -16 28 o 112.183 2.6560  1701.10   79.794    1725.25   112.427   1676.59   113.268   112.996 3.7147  111.369 3.7971  1.626862       5.311934 
1 1 1 8   -16 29 o 5.7726  1.9981  -28.4618  10.364    -26.5420  14.309    -30.5799  15.030    5.7854  2.8233  5.7598  2.8280  0.2562332E-01  3.996124 
1 1 1 8   -16 30 o 55.823  2.1190  422.131   31.565    414.061   44.372    430.399   44.912    55.279  3.0082  56.367  2.9854  -1.088200      4.238096 
1 1 1 8   -16 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -16 32 o 83.248  2.3625  943.546   52.671    928.469   73.774    959.221   75.222    82.572  3.3357  83.924  3.3464  -1.351845      4.724928 
1 1 1 8   -16 33 o 39.645  2.2650  215.746   23.817    202.691   33.415    229.229   33.957    38.395  3.2807  40.895  3.1237  -2.500069      4.529978 
1 1 1 8   -16 34 o 12.417  3.1221  18.187    13.483    26.431    18.718    9.2957    19.438    13.861  4.4486  10.973  4.3818  2.888710       6.244200 
1 1 1 8   -16 35 o 42.410  2.3024  249.586   25.818    271.190   36.033    226.794   37.010    44.395  3.0487  40.426  3.4510  3.968216       4.604812 
1 1 1 8   -16 36 o 29.544  2.2950  120.471   17.561    128.337   27.795    115.244   22.656    30.256  3.4940  28.832  2.9765  1.423904       4.589937 
1 1 1 8   -16 37 o 42.542  2.1362  248.517   23.878    265.439   37.279    236.745   31.094    43.672  3.2095  41.412  2.8200  2.260010       4.272365 
1 1 1 8   -16 38 o 46.306  2.1352  289.409   25.921    361.259   41.119    242.027   33.391    50.940  3.0273  41.671  3.0119  9.268402       4.270321 
1 1 1 8   -16 39 o 6.6517  2.1967  -12.0102  9.7068    -42.1031  19.853    -2.5562   11.128    6.3792  3.1545  6.9241  3.0581  -0.5448575     4.393485 
1 1 1 8   -16 40 o 7.8722  3.7134  -18.9104  20.405    -18.9104  20.405    0.0000    0.0000    7.8722  3.7134  ?       ?       ?              ?        
1 1 1 8   -16 41 o 20.867  3.0769  63.427    16.054    85.407    27.619    52.211    19.730    23.334  4.5825  18.399  4.1074  4.935034       6.153821 
1 1 1 8   -16 42 o 10.557  2.9363  12.812    12.518    -2.1787   22.911    19.190    14.945    9.6519  4.3176  11.462  3.9807  -1.809918      5.872617 
1 1 1 8   -16 43 o 17.960  3.4117  54.247    16.149    56.862    28.118    52.960    19.728    17.779  5.4162  18.141  4.1501  -0.3618336     6.823364 
1 1 1 8   -16 44 o 25.671  3.0280  99.241    19.333    140.836   33.418    78.316    23.702    29.366  4.3827  21.977  4.1793  7.388758       6.055961 
1 1 1 8   -16 45 o 22.258  3.4064  84.963    18.671    90.103    32.969    82.537    22.654    21.785  5.6148  22.732  3.8586  -0.9472580     6.812828 
1 1 1 8   -16 46 o 29.223  3.1585  141.142   22.830    163.977   39.310    129.520   28.045    30.102  5.0547  28.345  3.7888  1.756937       6.317058 
1 1 1 8   -16 47 o 17.228  3.6749  52.250    17.973    94.615    32.311    33.268    21.628    21.286  5.5939  13.170  4.7673  8.116371       7.349811 
1 1 1 8   -15 0  o 140.955 2.9620  2667.07   111.788   2762.14   158.660   2573.35   157.530   143.454 4.1292  138.456 4.2478  4.998138       5.924002 
1 1 1 8   -15 1  o 268.971 6.3461  9889.69   428.843   10097.98  525.825   9475.96   741.083   273.724 7.1720  264.217 10.472  9.506561       12.69227 
1 1 1 8   -15 2  o 179.848 5.0054  4344.62   241.120   4344.62   241.120   0.0000    0.0000    179.848 5.0054  ?       ?       ?              ?        
1 1 1 8   -15 3  f 139.513 4.1009  2611.65   153.245   2611.65   153.245   0.0000    0.0000    139.513 4.1009  ?       ?       ?              ?        
1 1 1 8   -15 4  o 141.118 4.1065  2671.96   155.220   2671.96   155.220   0.0000    0.0000    141.118 4.1065  ?       ?       ?              ?        
1 1 1 8   -15 5  o 174.044 4.7968  4066.91   223.613   4066.91   223.613   0.0000    0.0000    174.044 4.7968  ?       ?       ?              ?        
1 1 1 8   -15 6  o 159.217 4.6085  3402.81   196.534   3402.81   196.534   0.0000    0.0000    159.217 4.6085  ?       ?       ?              ?        
1 1 1 8   -15 7  o 44.338  2.4623  264.266   29.127    0.0000    0.0000    264.266   29.127    ?       ?       44.338  2.4623  ?              ?        
1 1 1 8   -15 8  o 163.799 4.5944  3601.84   201.573   0.0000    0.0000    3601.84   201.573   ?       ?       163.799 4.5944  ?              ?        
1 1 1 8   -15 9  o 255.764 6.8864  8810.29   471.762   0.0000    0.0000    8810.29   471.762   ?       ?       255.764 6.8864  ?              ?        
1 1 1 8   -15 10 o 127.680 3.7456  2187.13   128.096   0.0000    0.0000    2187.13   128.096   ?       ?       127.680 3.7456  ?              ?        
1 1 1 8   -15 11 o 179.379 5.0152  4323.86   240.964   0.0000    0.0000    4323.86   240.964   ?       ?       179.379 5.0152  ?              ?        
1 1 1 8   -15 12 o 319.833 6.0145  13846.67  514.997   14349.56  728.720   13344.91  727.911   325.695 8.3534  313.971 8.6556  11.72366       12.02908 
1 1 1 8   -15 13 o 299.037 5.6479  12095.08  452.374   12087.44  640.010   12102.70  639.496   298.940 7.9931  299.133 7.9815  -0.1929321     11.29572 
1 1 1 8   -15 14 o 48.913  1.7280  322.632   22.487    297.016   32.439    346.329   31.200    46.996  2.5870  50.830  2.2916  -3.834473      3.456035 
1 1 1 8   -15 15 o 140.415 2.9074  2648.65   109.341   2649.42   155.459   2647.89   153.817   140.433 4.1329  140.397 4.0903  0.3613281E-01  5.814776 
1 1 1 8   -15 16 o 179.810 3.5747  4352.12   172.144   4306.46   244.412   4397.07   242.497   178.866 5.1016  180.754 5.0087  -1.888474      7.149377 
1 1 1 8   -15 17 o 155.131 3.1858  3238.33   132.307   3145.09   188.146   3329.54   186.090   152.908 4.5938  157.355 4.4153  -4.446182      6.371635 
1 1 1 8   -15 18 o 157.706 3.2499  3347.77   137.228   3270.37   195.097   3423.57   193.058   155.889 4.6725  159.523 4.5183  -3.634689      6.499772 
1 1 1 8   -15 19 o 88.210  2.5799  1027.76   58.922    980.171   73.604    1112.67   98.319    85.446  3.2160  90.975  4.0349  -5.528702      5.159750 
1 1 1 8   -15 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -15 21 o 75.249  2.0875  759.508   42.053    793.824   60.302    727.018   58.675    76.904  2.9275  73.594  2.9766  3.309937       4.174975 
1 1 1 8   -15 22 o 31.162  2.2575  134.019   18.199    110.884   26.551    154.519   24.993    28.507  3.5545  33.818  2.7839  -5.310905      4.514947 
1 1 1 8   -15 23 o 202.725 3.9992  5554.11   217.151   5601.55   307.428   5506.87   306.767   203.595 5.6375  201.856 5.6739  1.739639       7.998394 
1 1 1 8   -15 24 o 246.781 4.7781  8270.75   315.827   8322.48   446.706   8219.05   446.587   247.564 6.7367  246.000 6.7777  1.563843       9.556163 
1 1 1 8   -15 25 o 79.691  2.2165  853.428   47.309    848.216   67.182    858.555   66.631    79.448  3.1570  79.935  3.1121  -0.4866180     4.433051 
1 1 1 8   -15 26 f 30.043  2.4067  125.191   18.432    93.806    26.151    156.178   25.985    26.113  3.8547  33.972  2.8828  -7.858913      4.813497 
1 1 1 8   -15 27 o 111.460 2.6218  1674.64   78.270    1673.10   110.272   1676.20   111.113   111.410 3.6953  111.509 3.7202  -0.9859467E-01 5.243579 
1 1 1 8   -15 28 f 74.428  2.2068  746.078   43.993    741.160   62.153    751.014   62.276    74.181  3.1281  74.674  3.1136  -0.4934540     4.413572 
1 1 1 8   -15 29 o 142.754 3.1293  2767.23   119.647   2756.25   168.289   2778.44   170.138   142.475 4.4099  143.033 4.4410  -0.5585022     6.258537 
1 1 1 8   -15 30 o 59.866  2.1518  484.814   34.418    493.659   48.115    475.545   49.253    60.478  2.9703  59.255  3.1142  1.222244       4.303582 
1 1 1 8   -15 31 o 67.836  2.2026  623.131   40.002    631.405   55.950    614.480   57.214    68.310  3.0579  67.362  3.1710  0.9477921      4.405223 
1 1 1 8   -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -15 33 o 23.667  2.8639  81.558    17.002    108.187   23.831    53.956    24.263    27.997  3.2377  19.336  4.7249  8.660662       5.727745 
1 1 1 8   -15 34 o 23.372  2.4377  74.504    14.596    88.402    23.120    65.294    18.821    25.149  3.5294  21.595  3.3634  3.554274       4.875343 
1 1 1 8   -15 35 o 66.349  2.1147  597.472   37.419    651.506   56.214    554.483   50.141    68.999  3.0417  63.700  2.9388  5.299454       4.229465 
1 1 1 8   -15 36 o 30.081  2.2615  121.895   17.636    149.049   28.255    104.564   22.573    32.743  3.2653  27.418  3.1299  5.325651       4.523088 
1 1 1 8   -15 37 o 53.679  2.1512  398.746   30.443    395.485   46.569    401.179   40.228    53.354  3.2745  54.004  2.7906  -0.6494255     4.302335 
1 1 1 8   -15 38 f 40.781  2.3216  238.796   24.192    206.469   37.975    260.877   31.386    38.101  3.7705  43.461  2.7096  -5.359791      4.643147 
1 1 1 8   -15 39 o 30.863  2.4423  132.631   19.329    150.161   31.785    122.344   24.349    32.297  3.7437  29.429  3.1374  2.868078       4.884518 
1 1 1 8   -15 40 o 13.576  3.6599  15.636    18.667    -0.1037   23.055    45.594    31.807    10.173  4.4503  16.979  5.8117  -6.805806      7.319880 
1 1 1 8   -15 41 o 16.066  3.3848  38.006    15.168    54.046    25.912    29.645    18.709    18.220  5.1053  13.912  4.4455  4.307601       6.769528 
1 1 1 8   -15 42 o 17.853  3.2564  49.577    15.176    60.931    25.554    43.391    18.863    19.170  4.9445  16.536  4.2390  2.633432       6.512848 
1 1 1 8   -15 43 o 8.7398  2.6422  2.0844    11.573    -16.1878  20.457    10.685    14.035    7.8720  3.7148  9.6076  3.7584  -1.735582      5.284418 
1 1 1 8   -15 44 o 25.884  2.9147  102.284   18.795    125.969   32.225    90.073    23.138    27.692  4.4990  24.076  3.7070  3.616619       5.829478 
1 1 1 8   -15 45 o 39.292  2.5646  235.686   25.741    253.604   42.678    225.441   32.272    39.786  4.0618  38.799  3.1321  0.9877777      5.129127 
1 1 1 8   -15 46 o 11.179  3.1830  17.972    14.781    2.0986    28.860    23.616    17.209    10.395  4.7290  11.963  4.2617  -1.568149      6.366006 
1 1 1 8   -15 47 o 10.383  3.1193  12.674    15.876    -9.0485   29.411    21.607    18.860    9.3986  4.4410  11.366  4.3815  -1.967871      6.238600 
1 1 1 8   -14 0  o 221.269 4.2907  6580.62   254.264   6477.46   360.007   6683.29   359.161   219.532 6.1224  223.007 6.0129  -3.474655      8.581312 
1 1 1 8   -14 1  f 230.050 4.3776  7113.36   269.582   7415.39   382.172   6814.25   380.326   234.926 6.0735  225.173 6.3059  9.752167       8.755135 
1 1 1 8   -14 2  o 81.505  2.0669  890.254   45.110    919.995   64.119    861.107   63.475    82.854  2.8893  80.157  2.9565  2.696838       4.133850 
1 1 1 8   -14 3  o 127.651 3.8494  2184.85   131.615   2184.85   131.615   0.0000    0.0000    127.651 3.8494  ?       ?       ?              ?        
1 1 1 8   -14 4  o 37.448  2.4114  188.675   24.058    188.675   24.058    0.0000    0.0000    37.448  2.4114  ?       ?       ?              ?        
1 1 1 8   -14 5  o 245.159 6.5740  8075.88   431.685   8075.88   431.685   0.0000    0.0000    245.159 6.5740  ?       ?       ?              ?        
1 1 1 8   -14 6  f 342.694 8.9604  15825.42  822.476   15825.42  822.476   0.0000    0.0000    342.694 8.9604  ?       ?       ?              ?        
1 1 1 8   -14 7  o 265.595 6.9737  9483.42   496.106   9483.42   496.106   0.0000    0.0000    265.595 6.9737  ?       ?       ?              ?        
1 1 1 8   -14 8  o 187.035 5.1245  4695.13   256.724   0.0000    0.0000    4695.13   256.724   ?       ?       187.035 5.1245  ?              ?        
1 1 1 8   -14 9  o 109.867 3.4119  1618.22   100.405   0.0000    0.0000    1618.22   100.405   ?       ?       109.867 3.4119  ?              ?        
1 1 1 8   -14 10 o 223.712 5.9903  6725.27   358.945   0.0000    0.0000    6725.27   358.945   ?       ?       223.712 5.9903  ?              ?        
1 1 1 8   -14 11 o 96.536  3.2129  1249.40   83.077    0.0000    0.0000    1249.40   83.077    ?       ?       96.536  3.2129  ?              ?        
1 1 1 8   -14 12 o 117.545 3.5002  1853.01   110.202   0.0000    0.0000    1853.01   110.202   ?       ?       117.545 3.5002  ?              ?        
1 1 1 8   -14 13 o 91.765  2.1654  1129.99   53.181    1093.56   75.844    1165.23   74.591    90.306  3.1356  93.224  2.9872  -2.917885      4.330751 
1 1 1 8   -14 14 o 125.887 2.6531  2126.19   89.418    2218.25   127.445   2036.93   125.489   128.573 3.7007  123.200 3.8028  5.373489       5.306284 
1 1 1 8   -14 15 o 175.054 3.4869  4120.34   163.468   4070.26   232.198   4169.54   230.171   173.993 4.9824  176.116 4.8794  -2.123352      6.973707 
1 1 1 8   -14 16 o 160.950 3.2694  3482.89   140.920   3440.89   200.415   3523.96   198.185   159.984 4.6770  161.917 4.5697  -1.933685      6.538848 
1 1 1 8   -14 17 o 107.813 2.4338  1560.02   70.269    1569.66   100.516   1550.81   98.272    108.137 3.4703  107.490 3.4133  0.6469498      4.867637 
1 1 1 8   -14 18 o 42.592  1.8213  244.608   20.627    236.952   29.972    251.498   28.432    41.947  2.6817  43.238  2.4652  -1.291016      3.642639 
1 1 1 8   -14 19 o 52.924  1.8496  375.437   26.144    399.936   37.870    353.128   36.138    54.606  2.5892  51.242  2.6420  3.364388       3.699191 
1 1 1 8   -14 20 o 170.383 4.2116  3945.51   181.700   3999.18   224.040   3842.38   310.584   172.325 4.8539  168.441 6.8840  3.884064       8.423190 
1 1 1 8   -14 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -14 22 o 32.028  2.1193  138.524   17.935    150.352   26.081    127.912   24.704    33.338  2.9512  30.718  3.0425  2.620209       4.238658 
1 1 1 8   -14 23 o 109.723 2.5443  1618.04   74.773    1621.92   105.770   1614.16   105.720   109.855 3.5946  109.591 3.6016  0.2639542      5.088504 
1 1 1 8   -14 24 o 90.162  2.3303  1092.21   56.272    1102.67   79.418    1081.66   79.744    90.598  3.2727  89.727  3.3181  0.8713837      4.660506 
1 1 1 8   -14 25 o 190.571 3.8452  4909.68   196.273   4923.15   277.158   4896.12   277.988   190.839 5.4222  190.304 5.4537  0.5347595      7.690402 
1 1 1 8   -14 26 o 103.884 2.5147  1451.87   69.971    1444.26   98.520    1459.63   99.394    103.610 3.5500  104.158 3.5627  -0.5481644     5.029459 
1 1 1 8   -14 27 o 93.378  2.3979  1173.42   59.969    1166.25   84.243    1180.79   85.387    93.090  3.3786  93.665  3.4035  -0.5751190     4.795705 
1 1 1 8   -14 28 o 104.705 2.5650  1478.39   71.930    1471.88   101.073   1485.07   102.389   104.475 3.6119  104.936 3.6428  -0.4607620     5.129914 
1 1 1 8   -14 29 o 108.039 2.6164  1576.56   75.694    1531.08   105.990   1623.91   108.139   106.444 3.7175  109.633 3.6826  -3.188423      5.232712 
1 1 1 8   -14 30 o 10.537  2.9200  4.3753    13.242    19.635    18.275    -12.4928  19.214    12.665  4.4016  8.4087  3.8383  4.256548       5.840079 
1 1 1 8   -14 31 o 46.544  2.1593  293.576   26.741    276.187   37.001    312.590   38.691    45.092  3.0820  47.996  3.0251  -2.904259      4.318571 
1 1 1 8   -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -14 33 o 34.016  2.1083  158.695   18.662    156.221   29.146    160.415   24.296    33.717  3.2683  34.315  2.6642  -0.5979958     4.216634 
1 1 1 8   -14 34 o 38.844  2.1045  209.289   21.316    190.387   32.485    223.581   28.247    37.179  3.2964  40.510  2.6173  -3.331692      4.209061 
1 1 1 8   -14 35 o 51.972  2.0552  367.609   28.314    387.868   42.951    352.038   37.653    53.187  3.0275  50.756  2.7802  2.430435       4.110360 
1 1 1 8   -14 36 o 61.924  2.1940  534.984   35.638    472.689   53.627    584.253   47.692    58.425  3.4420  65.423  2.7216  -6.997974      4.388021 
1 1 1 8   -14 37 o 25.642  2.6817  99.157    16.563    73.995    26.686    114.923   21.124    22.447  4.5933  28.837  2.7689  -6.390482      5.363330 
1 1 1 8   -14 38 o 26.598  2.5395  100.967   17.018    99.193    27.614    102.053   21.610    26.191  4.0684  27.004  3.0405  -0.8138638     5.079021 
1 1 1 8   -14 39 o 29.584  2.4380  117.169   18.272    169.125   30.121    86.916    22.984    34.593  3.2905  24.575  3.5984  10.01785       4.876036 
1 1 1 8   -14 40 o 29.452  2.5051  122.855   19.015    138.128   30.491    113.136   24.323    30.794  3.7759  28.109  3.2931  2.684961       5.010133 
1 1 1 8   -14 41 f 41.185  2.4023  245.947   25.567    241.895   40.672    248.595   32.876    40.534  3.7902  41.836  2.9528  -1.302467      4.804606 
1 1 1 8   -14 42 o 16.142  3.1609  37.324    13.649    58.988    24.118    27.117    16.555    19.042  4.7457  13.243  4.1765  5.798999       6.321809 
1 1 1 8   -14 43 o 22.094  3.2480  84.569    17.532    65.642    30.686    93.743    21.363    19.074  5.6234  25.114  3.2522  -6.039511      6.496088 
1 1 1 8   -14 44 o 15.589  3.5293  37.812    15.702    58.908    28.621    28.729    18.781    17.917  5.4659  13.261  4.4662  4.655259       7.058509 
1 1 1 8   -14 45 o 13.858  3.5446  32.001    16.051    37.133    28.923    29.717    19.294    14.396  5.4558  13.320  4.5266  1.075685       7.089127 
1 1 1 8   -14 46 o 20.136  3.6190  74.684    18.657    76.171    33.938    74.040    22.334    19.114  5.9726  21.159  4.0887  -2.045507      7.238042 
1 1 1 8   -14 47 o 13.002  3.5590  27.366    16.534    49.971    30.127    17.624    19.778    15.162  5.6047  10.842  4.3879  4.320819       7.118004 
1 1 1 8   -13 0  o 237.421 4.5354  7570.18   288.355   7769.13   408.477   7372.55   407.117   240.538 6.3401  234.304 6.4871  6.234238       9.070775 
1 1 1 8   -13 1  o 217.717 4.1604  6361.58   242.609   6346.23   343.712   6376.81   342.494   217.454 5.9012  217.980 5.8661  -0.5260468     8.320716 
1 1 1 8   -13 2  o 168.648 3.3502  3814.08   151.307   3910.23   214.586   3719.01   213.380   170.764 4.6915  166.532 4.7837  4.231873       6.700343 
1 1 1 8   -13 3  o 132.546 2.7619  2355.27   98.004    2450.24   138.964   2261.30   138.235   135.207 3.8372  129.885 3.9735  5.321091       5.523822 
1 1 1 8   -13 4  o 250.870 5.9198  8554.47   372.569   8737.16   456.060   8187.91   645.997   255.114 6.6742  246.626 9.7792  8.487869       11.83965 
1 1 1 8   -13 5  o 425.774 11.051  24437.97  1260.29   24437.97  1260.29   0.0000    0.0000    425.774 11.051  ?       ?       ?              ?        
1 1 1 8   -13 6  o 181.242 5.0796  4405.42   246.593   4405.42   246.593   0.0000    0.0000    181.242 5.0796  ?       ?       ?              ?        
1 1 1 8   -13 7  o 382.042 10.015  19658.21  1024.85   19658.21  1024.85   0.0000    0.0000    382.042 10.015  ?       ?       ?              ?        
1 1 1 8   -13 8  o 202.657 5.4827  5510.15   297.609   5510.15   297.609   0.0000    0.0000    202.657 5.4827  ?       ?       ?              ?        
1 1 1 8   -13 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -13 10 o 180.163 4.8637  4354.27   234.706   0.0000    0.0000    4354.27   234.706   ?       ?       180.163 4.8637  ?              ?        
1 1 1 8   -13 11 o 250.436 6.7199  8429.23   450.761   0.0000    0.0000    8429.23   450.761   ?       ?       250.436 6.7199  ?              ?        
1 1 1 8   -13 12 o 178.451 4.9034  4273.83   234.371   0.0000    0.0000    4273.83   234.371   ?       ?       178.451 4.9034  ?              ?        
1 1 1 8   -13 13 o 179.533 4.9967  4327.59   240.278   0.0000    0.0000    4327.59   240.278   ?       ?       179.533 4.9967  ?              ?        
1 1 1 8   -13 14 o 79.533  2.0407  850.461   43.343    795.886   62.293    901.677   60.346    77.049  3.0185  82.017  2.7470  -4.968468      4.081304 
1 1 1 8   -13 15 o 205.478 3.9999  5679.70   220.107   5600.36   312.443   5757.87   310.125   204.044 5.7169  206.913 5.5958  -2.868393      7.999710 
1 1 1 8   -13 16 o 267.931 5.1020  9690.31   366.112   9868.11   519.052   9514.28   516.477   270.391 7.1669  265.471 7.2635  4.919769       10.20405 
1 1 1 8   -13 17 o 231.662 4.4377  7236.63   275.273   7468.00   390.411   7007.89   388.189   235.365 6.1928  227.959 6.3577  7.406235       8.875313 
1 1 1 8   -13 18 o 109.317 2.4819  1604.01   72.667    1621.97   103.438   1586.51   102.107   109.921 3.5133  108.714 3.5066  1.207535       4.963791 
1 1 1 8   -13 19 o 127.467 2.7407  2182.69   93.573    2198.94   132.793   2166.66   131.874   127.939 3.8751  126.996 3.8769  0.9429703      5.481499 
1 1 1 8   -13 20 o 111.006 2.5410  1655.05   75.550    1652.04   107.033   1658.03   106.657   110.904 3.6031  111.107 3.5839  -0.2028122     5.082011 
1 1 1 8   -13 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -13 22 o 157.956 4.7062  3381.14   198.980   3488.60   279.803   3271.19   283.026   160.536 6.5072  155.377 6.8007  5.159180       9.412354 
1 1 1 8   -13 23 o 9.0784  2.7168  -1.9568   11.972    7.8508    16.365    -13.2467  17.558    10.262  4.0449  7.8953  3.6281  2.366327       5.433652 
1 1 1 8   -13 24 o 62.743  2.1001  528.558   35.286    531.270   49.490    525.753   50.325    62.908  2.9371  62.577  3.0025  0.3308220      4.200179 
1 1 1 8   -13 25 o 131.275 2.8932  2319.36   101.721   2273.22   143.177   2366.39   144.542   129.953 4.1134  132.596 4.0698  -2.643616      5.786463 
1 1 1 8   -13 26 o 97.743  2.4333  1284.28   63.693    1251.91   89.345    1317.73   90.824    96.489  3.4570  98.997  3.4252  -2.507530      4.866540 
1 1 1 8   -13 27 o 38.306  2.1333  198.354   21.698    189.408   30.375    207.678   31.007    37.414  3.0577  39.198  2.9755  -1.784222      4.266512 
1 1 1 8   -13 28 o 30.119  2.3973  124.350   18.880    134.422   26.170    113.419   27.264    31.451  3.1490  28.788  3.6156  2.662441       4.794606 
1 1 1 8   -13 29 o 54.806  2.1649  405.452   31.640    392.230   44.029    419.571   45.499    53.879  3.0635  55.732  3.0597  -1.852661      4.329759 
1 1 1 8   -13 30 o 55.153  2.0808  419.539   29.965    342.178   44.152    485.596   40.799    50.236  3.2997  60.070  2.5358  -9.834320      4.161501 
1 1 1 8   -13 31 o 36.915  2.0552  189.005   19.598    164.288   30.149    207.093   25.790    34.697  3.2831  39.133  2.4732  -4.436165      4.110425 
1 1 1 8   -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -13 33 o 30.699  2.1678  130.120   17.163    124.750   26.991    133.766   22.237    30.074  3.4111  31.324  2.6762  -1.250053      4.335586 
1 1 1 8   -13 34 o 13.279  2.9227  23.828    11.234    26.655    18.356    22.134    14.205    13.918  4.3988  12.639  3.8495  1.278649       5.845377 
1 1 1 8   -13 35 o 32.715  2.1357  143.575   18.255    176.275   28.579    121.036   23.727    35.809  3.0074  29.621  3.0333  6.187967       4.271473 
1 1 1 8   -13 36 o 60.759  2.1318  507.819   34.242    495.688   52.016    517.097   45.489    59.966  3.2506  61.552  2.7591  -1.585979      4.263689 
1 1 1 8   -13 37 o 50.595  2.1078  349.387   28.160    377.230   43.551    329.383   36.914    52.243  3.1266  48.946  2.8278  3.297165       4.215691 
1 1 1 8   -13 38 o 9.7816  2.8011  4.7851    10.825    14.137    19.197    0.4259    13.107    11.535  4.4272  8.0287  3.4328  3.505763       5.602145 
1 1 1 8   -13 39 o 47.360  2.2389  315.786   27.617    306.708   43.364    321.980   35.821    46.547  3.5039  48.172  2.7881  -1.624565      4.477783 
1 1 1 8   -13 40 o 66.552  2.3746  633.998   41.472    592.924   63.496    664.556   54.767    64.212  3.7076  68.893  2.9679  -4.680435      4.749197 
1 1 1 8   -13 41 o 29.779  3.0713  113.883   21.044    185.000   44.171    93.002    23.935    34.440  4.9289  25.117  3.6656  9.322784       6.142561 
1 1 1 8   -13 42 o 30.153  2.8177  143.148   20.629    116.081   33.298    160.006   26.279    26.956  4.7872  33.350  2.9731  -6.394388      5.635301 
1 1 1 8   -13 43 o 13.268  3.0816  13.792    13.322    58.696    25.605    -2.8776   15.601    18.559  5.0266  7.9779  3.5662  10.58113       6.163205 
1 1 1 8   -13 44 o 14.540  3.5212  34.412    15.762    42.943    27.534    30.254    19.224    15.506  5.4020  13.574  4.5182  1.932606       7.042439 
1 1 1 8   -13 45 o 11.797  3.2157  20.701    14.675    5.9117    27.424    26.636    17.372    10.812  4.7867  12.781  4.2954  -1.968740      6.431431 
1 1 1 8   -13 46 o 13.553  2.9296  32.287    16.036    -24.9870  30.327    54.513    18.892    8.9163  4.2930  18.190  3.9876  -9.273869      5.859221 
1 1 1 8   -13 47 o 12.056  3.4290  24.687    16.256    22.136    30.946    25.659    19.103    12.005  5.2049  12.107  4.4654  -0.1021032     6.857927 
1 1 1 8   -12 0  o 370.778 6.9057  18493.51  685.793   18302.58  970.198   18684.18  969.518   368.856 9.8201  372.700 9.7120  -3.843597      13.81146 
1 1 1 8   -12 1  o 111.321 2.4517  1660.47   73.099    1663.72   103.877   1657.29   102.885   111.428 3.4805  111.213 3.4539  0.2153473      4.903354 
1 1 1 8   -12 2  o 357.858 6.6593  17215.99  638.286   17069.13  903.125   17362.56  902.222   356.327 9.4626  359.389 9.3726  -3.062653      13.31863 
1 1 1 8   -12 3  o 190.403 3.7516  4860.89   191.330   4875.56   270.861   4846.29   270.302   190.689 5.3031  190.116 5.3081  0.5734711      7.503281 
1 1 1 8   -12 4  o 220.870 4.2429  6543.15   251.008   6564.48   355.021   6521.82   354.937   221.231 5.9913  220.510 6.0094  0.7210541      8.485795 
1 1 1 8   -12 5  o 200.861 4.9388  5589.34   245.931   5916.48   301.118   4933.94   426.204   210.059 5.3519  191.664 8.3021  18.39529       9.877645 
1 1 1 8   -12 6  o 406.099 10.675  22194.04  1161.13   22194.04  1161.13   0.0000    0.0000    406.099 10.675  ?       ?       ?              ?        
1 1 1 8   -12 7  o 264.110 7.0333  9362.17   497.545   9362.17   497.545   0.0000    0.0000    264.110 7.0333  ?       ?       ?              ?        
1 1 1 8   -12 8  o 367.190 9.5983  18133.84  944.007   18133.84  944.007   0.0000    0.0000    367.190 9.5983  ?       ?       ?              ?        
1 1 1 8   -12 9  o 330.304 8.6611  14665.23  766.263   14665.23  766.263   0.0000    0.0000    330.304 8.6611  ?       ?       ?              ?        
1 1 1 8   -12 10 o 277.232 10.469  10353.62  777.370   0.0000    0.0000    10353.62  777.370   ?       ?       277.232 10.469  ?              ?        
1 1 1 8   -12 11 o 195.942 5.3534  5150.62   280.959   0.0000    0.0000    5150.62   280.959   ?       ?       195.942 5.3534  ?              ?        
1 1 1 8   -12 12 o 306.512 8.1198  12639.19  666.627   0.0000    0.0000    12639.19  666.627   ?       ?       306.512 8.1198  ?              ?        
1 1 1 8   -12 13 o 45.091  2.3897  273.190   28.759    0.0000    0.0000    273.190   28.759    ?       ?       45.091  2.3897  ?              ?        
1 1 1 8   -12 14 o 242.723 6.5615  7922.20   426.583   0.0000    0.0000    7922.20   426.583   ?       ?       242.723 6.5615  ?              ?        
1 1 1 8   -12 15 o 182.673 3.6175  4485.49   176.846   4293.10   251.012   4675.10   249.192   178.767 5.2423  186.578 4.9864  -7.811111      7.235003 
1 1 1 8   -12 16 o 102.013 2.3457  1395.35   64.084    1428.84   91.429    1363.01   89.850    103.216 3.3071  100.809 3.3276  2.406708       4.691443 
1 1 1 8   -12 17 f 70.540  1.9695  667.322   37.203    659.566   52.994    674.859   52.240    70.135  2.8210  70.946  2.7491  -0.8106384     3.938950 
1 1 1 8   -12 18 o 247.884 4.7498  8294.14   315.362   8300.82   446.210   8287.47   445.767   247.984 6.7178  247.785 6.7165  0.1991882      9.499510 
1 1 1 8   -12 19 o 45.964  1.8253  284.163   22.373    294.825   31.836    273.761   31.447    46.821  2.5482  45.107  2.6140  1.713799       3.650534 
1 1 1 8   -12 20 o 170.236 3.4578  3901.46   157.616   3779.22   222.555   4024.46   223.252   167.548 4.9591  172.924 4.8200  -5.375519      6.915633 
1 1 1 8   -12 21 o 11.531  2.6564  15.873    10.215    26.304    14.071    4.2520    14.852    13.767  3.7254  9.2964  3.7877  4.470146       5.312728 
1 1 1 8   -12 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -12 23 o 102.957 2.4741  1423.92   68.224    1403.27   95.855    1445.13   97.123    102.200 3.5017  103.714 3.4962  -1.513672      4.948246 
1 1 1 8   -12 24 o 62.106  2.1091  517.095   35.056    489.499   48.638    546.930   50.572    60.383  3.0072  63.830  2.9580  -3.446587      4.218210 
1 1 1 8   -12 25 o 46.630  2.0803  292.647   25.782    264.961   35.758    322.625   37.209    44.318  3.0306  48.942  2.8508  -4.623520      4.160662 
1 1 1 8   -12 26 o 66.267  2.1223  589.680   37.663    583.545   52.684    596.091   53.862    65.915  2.9840  66.618  3.0186  -0.7025833     4.244574 
1 1 1 8   -12 27 o 35.944  2.1584  174.426   20.548    161.696   28.331    188.557   29.848    34.549  3.0943  37.339  3.0100  -2.790836      4.316822 
1 1 1 8   -12 28 f 151.503 3.2082  3110.75   129.832   2889.56   185.418   3323.51   181.853   146.142 4.7368  156.863 4.3282  -10.72119      6.416479 
1 1 1 8   -12 29 o 120.078 2.7217  1949.20   87.432    1900.17   125.750   1995.09   121.646   118.586 3.9590  121.571 3.7358  -2.985001      5.443315 
1 1 1 8   -12 30 o 37.068  2.0584  184.236   20.110    201.790   30.902    171.340   26.487    38.577  3.0147  35.560  2.8036  3.016514       4.116819 
1 1 1 8   -12 31 o 46.168  1.9778  284.444   24.093    347.603   36.341    234.915   32.182    50.712  2.6850  41.624  2.9047  9.087227       3.955601 
1 1 1 8   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -12 33 o 39.185  2.0327  208.042   20.944    216.622   32.408    201.889   27.445    39.834  3.0609  38.536  2.6755  1.298420       4.065365 
1 1 1 8   -12 34 o 16.498  2.6429  33.680    11.748    65.667    19.739    16.133    14.620    21.643  3.5265  11.352  3.9374  10.29070       5.285722 
1 1 1 8   -12 35 o 31.962  2.2046  142.380   18.199    132.758   28.279    149.184   23.778    30.912  3.4757  33.013  2.7131  -2.101019      4.409248 
1 1 1 8   -12 36 o 44.284  2.0973  269.675   24.382    267.724   37.654    271.084   31.995    44.049  3.2136  44.519  2.6959  -0.4697151     4.194613 
1 1 1 8   -12 37 o 22.107  2.8453  76.511    15.309    48.691    24.541    94.234    19.588    18.134  4.9251  26.081  2.8505  -7.946369      5.690551 
1 1 1 8   -12 38 o 13.793  2.8918  28.415    12.782    6.3121    21.293    40.867    15.981    10.795  4.4806  16.791  3.6570  -5.995753      5.783566 
1 1 1 8   -12 39 o 54.510  2.1805  408.594   31.341    455.452   49.006    376.164   40.769    57.021  3.2218  51.999  2.9392  5.021832       4.361075 
1 1 1 8   -12 40 f 56.214  2.2798  444.922   33.563    456.280   52.879    437.259   43.434    56.543  3.5089  55.885  2.9117  0.6573944      4.559631 
1 1 1 8   -12 41 o 14.558  3.2590  26.633    13.851    51.755    25.128    15.668    16.601    17.973  5.0243  11.143  4.1522  6.830373       6.518027 
1 1 1 8   -12 42 o 24.214  2.9999  92.198    17.766    84.904    29.759    96.237    22.146    22.813  5.0076  25.615  3.3049  -2.802362      5.999859 
1 1 1 8   -12 43 o 11.543  3.1607  17.797    13.719    9.3966    25.040    21.401    16.400    11.133  4.7519  11.953  4.1688  -0.8201027     6.321374 
1 1 1 8   -12 44 o 16.237  3.1824  48.497    15.648    21.859    27.751    60.914    18.947    12.676  5.1725  19.799  3.7090  -7.123594      6.364814 
1 1 1 8   -12 45 o 15.041  3.5123  38.663    15.549    41.758    29.185    37.436    18.374    15.119  5.5279  14.963  4.3344  0.1561260      7.024606 
1 1 1 8   -12 46 o 10.367  3.1938  5.0502    14.543    23.118    29.044    -0.9958   16.801    12.465  5.2081  8.2691  3.6983  4.195514       6.387678 
1 1 1 8   -12 47 o 16.171  5.9983  60.518    34.568    60.518    34.568    0.0000    0.0000    16.171  5.9983  ?       ?       ?              ?        
1 1 1 8   -11 0  o 269.083 5.1003  9715.58   367.594   9753.42   520.361   9677.88   519.354   269.606 7.2059  268.559 7.2199  1.047058       10.20059 
1 1 1 8   -11 1  o 481.953 8.8670  31288.21  1144.48   30672.40  1618.68   31903.80  1618.40   477.183 12.664  486.723 12.414  -9.539551      17.73407 
1 1 1 8   -11 2  o 158.089 3.2139  3349.58   136.068   3429.79   192.920   3270.19   191.943   159.973 4.5024  156.204 4.5876  3.768478       6.427895 
1 1 1 8   -11 3  o 160.476 3.2075  3451.47   137.866   3430.79   195.121   3472.09   194.823   159.995 4.5531  160.956 4.5190  -0.9608765     6.415001 
1 1 1 8   -11 4  o 222.402 70.687  4167.17   8456.84   4194.74   10357.04  4112.02   14648.88  213.429 93.819  231.375 105.757 -17.94627      141.3739 
1 1 1 8   -11 5  o ?       ?       2963.57   186821.41 2963.57   186821.41 0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 8   -11 6  o 286.816 144.226 16653.28  49812.34  16653.28  49812.34  0.0000    0.0000    286.816 144.226 ?       ?       ?              ?        
1 1 1 8   -11 7  o 208.961 5.5908  5854.70   312.914   5854.70   312.914   0.0000    0.0000    208.961 5.5908  ?       ?       ?              ?        
1 1 1 8   -11 8  o 240.967 6.4092  7788.90   413.668   7788.90   413.668   0.0000    0.0000    240.967 6.4092  ?       ?       ?              ?        
1 1 1 8   -11 9  o 202.895 5.5152  5520.10   299.721   5520.10   299.721   0.0000    0.0000    202.895 5.5152  ?       ?       ?              ?        
1 1 1 8   -11 10 o 132.161 3.8840  2340.76   137.490   2340.76   137.490   0.0000    0.0000    132.161 3.8840  ?       ?       ?              ?        
1 1 1 8   -11 11 o 186.119 7.3059  4651.22   364.210   0.0000    0.0000    4651.22   364.210   ?       ?       186.119 7.3059  ?              ?        
1 1 1 8   -11 12 o 92.643  3.0181  1150.01   74.893    0.0000    0.0000    1150.01   74.893    ?       ?       92.643  3.0181  ?              ?        
1 1 1 8   -11 13 o 286.815 7.5496  11057.53  579.983   0.0000    0.0000    11057.53  579.983   ?       ?       286.815 7.5496  ?              ?        
1 1 1 8   -11 14 o 70.984  2.6803  675.186   50.960    0.0000    0.0000    675.186   50.960    ?       ?       70.984  2.6803  ?              ?        
1 1 1 8   -11 15 o 123.034 2.6378  2029.88   86.867    2132.89   123.644   1929.47   122.068   126.119 3.6602  119.949 3.7994  6.170929       5.275655 
1 1 1 8   -11 16 o 448.356 8.3899  27355.77  1007.48   26985.50  1424.79   27726.03  1424.79   445.272 11.946  451.439 11.783  -6.166321      16.77972 
1 1 1 8   -11 17 o 130.696 2.7855  2292.73   97.488    2352.13   138.032   2233.61   137.706   132.389 3.8926  129.004 3.9853  3.385117       5.570903 
1 1 1 8   -11 18 o 159.121 3.2467  3402.26   138.375   3384.44   195.481   3420.16   195.904   158.702 4.5987  159.539 4.5844  -0.8371277     6.493454 
1 1 1 8   -11 19 o 122.282 2.6846  2007.75   87.927    1988.41   123.991   2027.31   124.706   121.689 3.8041  122.875 3.7891  -1.185768      5.369193 
1 1 1 8   -11 20 o 59.815  1.9308  480.290   30.907    499.365   43.472    460.794   43.949    61.020  2.6598  58.611  2.7995  2.408440       3.861591 
1 1 1 8   -11 21 o 199.320 3.9661  5357.36   211.738   5312.79   298.626   5402.43   300.265   198.485 5.6171  200.156 5.6008  -1.671387      7.932227 
1 1 1 8   -11 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -11 23 o 87.048  2.2666  1017.09   52.838    1000.68   73.836    1034.31   75.645    86.330  3.1932  87.767  3.2178  -1.436935      4.533263 
1 1 1 8   -11 24 o 112.073 2.6101  1687.55   78.326    1626.74   109.712   1750.76   111.859   110.011 3.7233  114.134 3.6590  -4.123589      5.220290 
1 1 1 8   -11 25 f 116.666 2.6784  1829.66   83.685    1793.76   117.243   1866.94   119.485   115.500 3.7898  117.833 3.7858  -2.333176      5.356754 
1 1 1 8   -11 26 o 119.038 2.7033  1910.27   86.011    1809.14   123.366   2005.93   119.981   115.944 3.9724  122.132 3.6677  -6.187172      5.406689 
1 1 1 8   -11 27 o 78.135  2.1295  817.386   44.481    887.553   65.008    755.611   60.996    81.279  2.9861  74.990  3.0368  6.288383       4.258920 
1 1 1 8   -11 28 o 25.154  2.3209  84.843    15.105    100.726   23.383    73.469    19.788    27.167  3.2799  23.141  3.2847  4.026384       4.641868 
1 1 1 8   -11 29 f 61.942  2.0272  514.461   33.548    538.880   49.613    493.891   45.536    63.285  2.9269  60.598  2.8055  2.687866       4.054317 
1 1 1 8   -11 30 o 61.448  2.0330  504.487   33.327    563.177   49.743    456.685   44.893    64.665  2.8719  58.231  2.8783  6.434578       4.066030 
1 1 1 8   -11 31 o 57.699  2.0340  450.891   31.151    438.640   46.513    460.856   41.947    56.918  3.0622  58.479  2.6780  -1.561420      4.068026 
1 1 1 8   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -11 33 o 38.131  2.0677  198.850   20.614    194.322   31.928    202.088   26.994    37.691  3.1925  38.570  2.6286  -0.8787346     4.135467 
1 1 1 8   -11 34 o 60.557  2.1079  500.707   33.806    489.273   51.029    509.650   45.131    59.830  3.1958  61.285  2.7494  -1.454926      4.215730 
1 1 1 8   -11 35 o 30.151  2.3474  130.751   17.601    107.419   28.130    145.761   22.563    27.639  3.9088  32.663  2.6006  -5.023277      4.694867 
1 1 1 8   -11 36 o 31.703  2.2413  138.688   18.261    140.970   29.474    137.265   23.264    31.798  3.5197  31.609  2.7759  0.1890182      4.482612 
1 1 1 8   -11 37 o 16.588  3.0281  37.644    13.078    50.380    22.432    31.087    16.097    18.513  4.5549  14.664  3.9913  3.849278       6.056217 
1 1 1 8   -11 38 o 33.674  2.4317  162.791   20.710    144.609   33.071    174.522   26.565    31.822  3.9660  35.526  2.8148  -3.703176      4.863330 
1 1 1 8   -11 39 o 51.673  2.2140  368.173   30.010    400.852   47.587    346.597   38.668    53.407  3.3435  49.940  2.9033  3.467377       4.428063 
1 1 1 8   -11 40 o 14.095  3.7538  26.088    19.077    26.274    24.714    25.813    30.008    13.891  5.0857  14.298  5.5225  -0.4069319     7.507512 
1 1 1 8   -11 41 o 15.971  3.3055  34.866    14.699    59.158    25.822    23.223    17.878    19.254  4.9724  12.688  4.3567  6.565786       6.610981 
1 1 1 8   -11 42 o 11.803  3.0812  19.273    13.159    7.0354    23.374    24.952    15.922    10.794  4.5989  12.812  4.1019  -2.017447      6.162436 
1 1 1 8   -11 43 o 18.195  3.0348  62.761    16.951    12.190    29.191    88.490    20.821    11.957  5.1179  24.433  3.2631  -12.47638      6.069657 
1 1 1 8   -11 44 o 9.9635  3.0026  5.5403    12.751    14.722    24.239    2.0274    14.993    11.521  4.7811  8.4058  3.6336  3.115427       6.005198 
1 1 1 8   -11 45 o 8.8582  2.8355  -1.6379   13.428    -11.3996  26.104    1.8744    15.658    9.2386  4.3070  8.4777  3.6890  0.7609539      5.670909 
1 1 1 8   -11 46 o 12.196  3.3995  14.869    15.263    46.621    29.332    3.0807    17.873    15.441  5.5572  8.9522  3.9172  6.488407       6.798993 
1 1 1 8   -11 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -10 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -10 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -10 2  o 391.572 10.294  20676.45  1079.55   21057.32  1529.26   20298.11  1524.17   395.187 14.447  387.957 14.668  7.229675       20.58803 
1 1 1 8   -10 3  o 256.674 4.8551  8836.90   333.774   8755.68   472.056   8918.11   471.998   255.493 6.8980  257.855 6.8340  -2.362656      9.710138 
1 1 1 8   -10 4  o 291.836 5.4415  11434.51  424.985   11985.67  601.235   10884.15  600.805   298.882 7.5103  284.790 7.8763  14.09134       10.88300 
1 1 1 8   -10 5  f 145.083 2.9116  2820.74   113.137   2842.98   159.562   2798.25   160.441   145.659 4.0898  144.507 4.1451  1.151520       5.823111 
1 1 1 8   -10 6  o 268.004 87.087  10372.20  13882.03  10309.12  17002.22  10498.37  24043.59  262.244 117.443 273.764 128.622 -11.51962      174.1733 
1 1 1 8   -10 7  o ?       ?       4716.48   122590.00 4716.48   122590.00 0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 8   -10 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -10 11 o 372.682 9.7925  18676.69  977.508   18676.69  977.508   0.0000    0.0000    372.682 9.7925  ?       ?       ?              ?        
1 1 1 8   -10 12 o 180.151 4.9663  4351.46   239.639   0.0000    0.0000    4351.46   239.639   ?       ?       180.151 4.9663  ?              ?        
1 1 1 8   -10 13 o 165.309 4.6488  3664.02   205.837   0.0000    0.0000    3664.02   205.837   ?       ?       165.309 4.6488  ?              ?        
1 1 1 8   -10 14 o 169.320 4.7526  3845.14   215.541   0.0000    0.0000    3845.14   215.541   ?       ?       169.320 4.7526  ?              ?        
1 1 1 8   -10 15 o 265.491 7.0819  9477.60   503.600   0.0000    0.0000    9477.60   503.600   ?       ?       265.491 7.0819  ?              ?        
1 1 1 8   -10 16 o 147.090 3.0417  2902.83   119.838   2895.09   169.360   2910.59   169.593   146.894 4.3045  147.287 4.2989  -0.3930054     6.083488 
1 1 1 8   -10 17 o 208.310 4.0741  5834.99   227.317   5813.55   321.110   5856.53   321.842   207.926 5.7658  208.694 5.7576  -0.7684021     8.148267 
1 1 1 8   -10 18 o 210.084 4.0960  5940.38   230.462   6020.05   325.448   5860.25   326.400   211.506 5.7447  208.663 5.8400  2.842834       8.191963 
1 1 1 8   -10 19 o 146.512 3.0630  2883.88   120.179   2807.18   169.244   2961.88   170.682   144.543 4.3715  148.481 4.2917  -3.938034      6.126040 
1 1 1 8   -10 20 o 235.696 4.5773  7500.02   288.967   7504.14   407.855   7495.87   409.471   235.766 6.4586  235.627 6.4880  0.1386414      9.154610 
1 1 1 8   -10 21 o 72.430  2.0707  703.235   40.142    665.494   55.943    743.291   57.633    70.427  2.9656  74.433  2.8908  -4.006180      4.141461 
1 1 1 8   -10 22 o 75.715  2.6333  783.026   49.889    806.008   61.246    737.708   86.004    77.501  2.9504  73.929  4.3626  3.571251       5.266595 
1 1 1 8   -10 23 o 80.462  4.6075  874.380   98.886    0.0000    0.0000    874.380   98.886    ?       ?       80.462  4.6075  ?              ?        
1 1 1 8   -10 24 o 71.212  2.0816  681.934   39.604    659.856   57.531    701.820   54.601    70.108  3.0637  72.316  2.8189  -2.208405      4.163189 
1 1 1 8   -10 25 o 112.776 2.5704  1707.75   77.605    1772.87   111.791   1647.18   107.818   114.849 3.6340  110.703 3.6362  4.146347       5.140811 
1 1 1 8   -10 26 o 199.248 4.0039  5374.61   213.389   5101.45   303.710   5640.93   299.882   194.182 5.8393  204.314 5.4798  -10.13292      8.007842 
1 1 1 8   -10 27 o 89.426  2.2999  1076.84   54.945    1044.20   79.932    1106.07   75.654    88.126  3.3863  90.727  3.1132  -2.601013      4.599888 
1 1 1 8   -10 28 o 75.887  2.2190  782.154   44.651    690.564   65.204    863.030   61.272    71.635  3.3983  80.139  2.8545  -8.504082      4.438081 
1 1 1 8   -10 29 o 35.659  2.1277  175.081   19.721    154.857   29.866    190.716   26.260    33.741  3.3489  37.577  2.6255  -3.836155      4.255423 
1 1 1 8   -10 30 o 161.988 3.3701  3566.85   146.174   3590.46   209.712   3544.55   203.855   162.482 4.8187  161.494 4.7128  0.9886169      6.740169 
1 1 1 8   -10 31 o 60.014  2.0610  485.896   32.904    491.991   49.174    480.954   44.278    60.296  3.0548  59.732  2.7675  0.5634003      4.121981 
1 1 1 8   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -10 33 o 70.115  2.1448  665.106   40.083    684.003   60.053    649.924   53.829    70.973  3.1590  69.257  2.9018  1.716171       4.289511 
1 1 1 8   -10 34 o 46.325  2.0273  288.969   24.788    317.659   38.410    268.492   32.450    48.244  2.9871  44.406  2.7417  3.837536       4.054610 
1 1 1 8   -10 35 o 44.026  2.0588  259.069   23.850    309.096   37.367    224.678   30.982    47.532  2.9496  40.520  2.8732  7.011780       4.117679 
1 1 1 8   -10 36 o 30.550  2.2855  129.276   17.902    129.910   28.829    128.878   22.839    30.488  3.5998  30.612  2.8171  -0.1237259     4.571035 
1 1 1 8   -10 37 o 20.549  2.7228  55.912    14.003    83.052    23.789    41.521    17.323    24.164  3.8012  16.935  3.8995  7.228582       5.445652 
1 1 1 8   -10 38 o 27.781  2.4110  104.931   17.127    126.384   28.312    92.549    21.509    29.886  3.6100  25.675  3.1969  4.211346       4.822015 
1 1 1 8   -10 39 o 27.430  2.5276  102.796   17.697    131.774   29.084    85.758    22.301    30.370  3.6484  24.490  3.4993  5.879938       5.055271 
1 1 1 8   -10 40 o 33.245  4.2098  162.969   36.647    162.969   36.647    0.0000    0.0000    33.245  4.2098  ?       ?       ?              ?        
1 1 1 8   -10 41 o 12.371  2.7585  19.692    13.573    -22.0918  23.484    40.654    16.633    8.3420  3.9497  16.401  3.8520  -8.058887      5.517059 
1 1 1 8   -10 42 o 36.941  2.6310  208.680   24.041    180.357   39.381    225.505   30.353    34.139  4.4099  39.743  2.8707  -5.603737      5.261940 
1 1 1 8   -10 43 o 14.407  2.6547  36.291    14.148    -19.6779  26.229    59.257    16.802    8.8708  4.1923  19.942  3.2581  -11.07150      5.309490 
1 1 1 8   -10 44 o 15.486  3.4371  33.648    15.071    64.226    28.322    21.569    17.800    19.000  5.3421  11.971  4.3262  7.029262       6.874163 
1 1 1 8   -10 45 o 9.4688  2.9739  2.3969    14.013    -5.7512   27.322    5.3054    16.324    9.8630  4.5300  9.0746  3.8542  0.7884607      5.947733 
1 1 1 8   -10 46 o 25.345  3.3980  107.279   20.610    125.256   37.745    99.643    24.601    25.705  5.6373  24.984  3.7957  0.7215328      6.796066 
1 1 1 8   -10 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -9  0  o 82.992  2.0953  922.841   46.568    908.629   66.134    936.817   65.584    82.357  2.9980  83.626  2.9280  -1.268280      4.190613 
1 1 1 8   -9  1  o 140.780 2.9363  2655.77   110.718   2642.17   157.061   2669.20   156.100   140.421 4.1759  141.138 4.1292  -0.7173157     5.872684 
1 1 1 8   -9  2  o 181.656 3.5480  4422.87   172.630   4418.52   244.458   4427.20   243.815   181.567 5.0267  181.745 5.0085  -0.1787872     7.095947 
1 1 1 8   -9  3  o 136.801 2.8273  2507.76   103.586   2463.43   146.423   2552.18   146.564   135.590 4.0317  138.012 3.9648  -2.422089      5.654592 
1 1 1 8   -9  4  o 240.978 4.5560  7787.34   294.068   7785.88   415.501   7788.80   416.251   240.955 6.4379  241.000 6.4484  -0.4467773E-01 9.111983 
1 1 1 8   -9  5  o 372.270 6.8537  18616.49  683.357   18385.88  965.843   18847.65  966.982   369.955 9.7469  374.585 9.6378  -4.629669      13.70732 
1 1 1 8   -9  6  o 55.637  1.6307  414.562   24.288    396.388   34.094    433.290   34.610    54.399  2.3399  56.875  2.2719  -2.476093      3.261368 
1 1 1 8   -9  7  o 203.194 3.9070  5535.00   212.640   5534.20   300.835   5535.79   300.602   203.179 5.5279  203.208 5.5228  -0.2934265E-01 7.814049 
1 1 1 8   -9  8  o 214.014 5.0012  6158.99   270.896   6189.46   332.980   6099.36   465.862   214.858 5.7860  213.170 8.1591  1.688232       10.00243 
1 1 1 8   -9  9  o 536.191 13.954  38763.44  2004.11   38763.44  2004.11   0.0000    0.0000    536.191 13.954  ?       ?       ?              ?        
1 1 1 8   -9  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -9  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -9  12 o 279.766 10.599  10531.91  794.266   10531.91  794.266   0.0000    0.0000    279.766 10.599  ?       ?       ?              ?        
1 1 1 8   -9  13 o 201.610 5.4893  5451.40   296.426   0.0000    0.0000    5451.40   296.426   ?       ?       201.610 5.4893  ?              ?        
1 1 1 8   -9  14 o 143.404 4.2028  2756.84   161.432   0.0000    0.0000    2756.84   161.432   ?       ?       143.404 4.2028  ?              ?        
1 1 1 8   -9  15 o 188.394 5.2453  4762.44   264.681   0.0000    0.0000    4762.44   264.681   ?       ?       188.394 5.2453  ?              ?        
1 1 1 8   -9  16 o 156.247 3.8907  3261.84   154.404   3329.66   265.573   3227.21   189.775   157.403 6.2991  155.091 4.5684  2.312637       7.781355 
1 1 1 8   -9  17 o 83.684  2.1600  939.868   48.357    985.255   68.040    893.545   68.739    85.730  2.9631  81.638  3.1436  4.092400       4.319951 
1 1 1 8   -9  18 o 109.005 2.4907  1594.01   72.717    1594.81   102.255   1593.19   103.429   109.034 3.5013  108.976 3.5434  0.5771637E-01  4.981495 
1 1 1 8   -9  19 o 216.038 4.2247  6286.81   244.464   6292.64   344.998   6280.93   346.454   216.142 5.9592  215.934 5.9901  0.2077484      8.449475 
1 1 1 8   -9  20 o 123.503 2.7246  2048.56   90.119    2063.16   126.801   2033.65   128.103   123.951 3.8193  123.055 3.8866  0.8956680      5.449131 
1 1 1 8   -9  21 o 135.203 3.4975  2429.46   120.113   2365.40   147.117   2557.52   208.014   132.665 4.1401  137.741 5.6382  -5.075333      6.995013 
1 1 1 8   -9  22 o 144.489 3.0533  2812.00   117.975   2661.79   168.234   2957.34   165.484   140.665 4.4652  148.312 4.1657  -7.646469      6.106649 
1 1 1 8   -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -9  24 o 117.654 2.6463  1859.82   83.363    1881.12   119.835   1839.86   116.041   118.301 3.7819  117.006 3.7027  1.295708       5.292658 
1 1 1 8   -9  25 o 66.599  2.0974  599.358   37.156    548.587   54.274    644.143   50.975    63.916  3.1702  69.283  2.7469  -5.366451      4.194749 
1 1 1 8   -9  26 f 51.543  2.0259  362.972   27.422    312.439   40.619    405.289   37.171    48.126  3.1688  54.960  2.5250  -6.833759      4.051817 
1 1 1 8   -9  27 o 118.718 2.6799  1897.20   85.140    1884.26   122.806   1909.18   118.141   118.315 3.8752  119.121 3.7027  -0.8061218     5.359772 
1 1 1 8   -9  28 o 194.100 3.9322  5114.08   204.257   4940.26   291.317   5282.16   286.468   190.791 5.7006  197.409 5.4178  -6.617935      7.864409 
1 1 1 8   -9  29 o 134.878 2.9763  2461.34   107.391   2397.36   154.498   2521.15   149.378   133.143 4.3323  136.612 4.0823  -3.468506      5.952638 
1 1 1 8   -9  30 o 37.011  2.1423  185.139   20.843    190.238   31.963    181.366   27.493    37.426  3.2199  36.596  2.8267  0.8298225      4.284614 
1 1 1 8   -9  31 o 59.513  2.0374  475.385   32.320    499.884   48.590    455.945   43.283    60.867  2.9804  58.159  2.7786  2.708134       4.074710 
1 1 1 8   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -9  33 o 59.760  2.1189  489.090   33.412    454.214   50.273    516.683   44.716    57.721  3.2651  61.799  2.7014  -4.077862      4.237719 
1 1 1 8   -9  34 o 43.473  2.0523  255.925   23.507    270.772   36.381    245.284   30.799    44.504  3.0708  42.442  2.7237  2.062199       4.104666 
1 1 1 8   -9  35 o 55.866  2.1413  431.991   31.364    391.904   47.716    462.489   41.619    53.387  3.3539  58.344  2.6632  -4.956860      4.282655 
1 1 1 8   -9  36 o 12.920  2.9313  19.560    11.398    34.864    19.445    11.548    14.068    15.563  4.4442  10.276  3.8236  5.287270       5.862699 
1 1 1 8   -9  37 o 48.074  2.1010  311.321   26.553    361.007   42.011    278.271   34.264    51.160  3.0802  44.988  2.8583  6.172234       4.202073 
1 1 1 8   -9  38 o 15.826  3.1030  37.322    13.393    32.977    22.415    39.734    16.703    15.143  4.8689  16.510  3.8482  -1.367110      6.205978 
1 1 1 8   -9  39 o 57.514  2.2427  457.533   33.980    494.061   53.150    432.282   44.190    59.290  3.3606  55.738  2.9707  3.552849       4.485416 
1 1 1 8   -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -9  41 f 33.376  2.4632  153.304   20.964    196.130   35.739    130.839   25.885    36.612  3.6950  30.140  3.2582  6.471851       4.926326 
1 1 1 8   -9  42 o 20.054  3.2763  61.492    16.303    73.506    29.187    56.044    19.655    21.022  5.2099  19.086  3.9739  1.935911       6.552501 
1 1 1 8   -9  43 o 13.499  3.3339  28.731    14.327    24.522    26.725    30.429    16.971    13.154  5.1741  13.845  4.2057  -0.6910477     6.667754 
1 1 1 8   -9  44 o 10.862  2.7658  12.507    13.546    -36.4996  25.770    31.220    15.924    7.7587  3.7869  13.966  4.0321  -6.207095      5.531596 
1 1 1 8   -9  45 o 13.615  3.6046  27.008    16.186    44.520    30.969    20.427    18.985    15.494  5.6899  11.737  4.4269  3.757038       7.209219 
1 1 1 8   -9  46 o 11.302  3.3036  17.103    15.532    8.4858    30.864    20.025    17.973    11.204  5.0117  11.399  4.3054  -0.1951046     6.607099 
1 1 1 8   -9  47 f 11.141  4.3514  20.160    18.791    0.0000    0.0000    20.160    18.791    ?       ?       11.141  4.3514  ?              ?        
1 1 1 8   -8  0  o 381.115 7.0332  19517.53  717.674   18890.89  1014.96   20144.14  1014.93   374.977 10.105  387.254 9.7848  -12.27695      14.06635 
1 1 1 8   -8  1  o 67.815  1.8799  616.262   34.135    603.612   48.587    628.592   47.967    67.127  2.7023  68.503  2.6142  -1.375465      3.759864 
1 1 1 8   -8  2  o 101.558 2.2789  1381.77   61.991    1381.73   87.820    1381.80   87.517    101.557 3.2284  101.560 3.2172  -0.2883911E-02 4.557784 
1 1 1 8   -8  3  o 278.258 5.1770  10392.05  385.573   10850.04  545.479   9934.72   545.086   284.398 7.1608  272.118 7.4786  12.28067       10.35405 
1 1 1 8   -8  4  o 215.275 4.1224  6216.60   237.523   6489.26   335.724   5943.35   336.094   220.009 5.6971  210.541 5.9598  9.467804       8.244793 
1 1 1 8   -8  5  o 543.166 9.9634  39766.18  1449.53   39829.82  2049.69   39702.50  2050.21   543.604 14.077  542.727 14.104  0.8760986      19.92681 
1 1 1 8   -8  6  o 241.956 4.5642  7851.00   295.787   7792.42   418.356   7909.55   418.256   241.052 6.4796  242.859 6.4298  -1.807404      9.128383 
1 1 1 8   -8  7  o 415.882 7.7420  23259.42  862.088   22533.03  1219.38   23985.33  1218.97   409.363 11.121  422.401 10.774  -13.03812      15.48407 
1 1 1 8   -8  8  o 323.193 6.0042  14022.52  519.744   13904.11  736.093   14140.25  733.971   321.828 8.5393  324.558 8.4430  -2.730011      12.00847 
1 1 1 8   -8  9  o 184.017 5.0663  4538.86   249.712   4538.86   249.712   0.0000    0.0000    184.017 5.0663  ?       ?       ?              ?        
1 1 1 8   -8  10 o 358.679 9.3623  17281.55  899.447   17281.55  899.447   0.0000    0.0000    358.679 9.3623  ?       ?       ?              ?        
1 1 1 8   -8  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -8  12 o 2104.88 119.222 923734.19 66939.66  923734.19 66939.66  0.0000    0.0000    2104.88 119.222 ?       ?       ?              ?        
1 1 1 8   -8  13 o 443.911 16.547  26707.79  1967.46   0.0000    0.0000    26707.79  1967.46   ?       ?       443.911 16.547  ?              ?        
1 1 1 8   -8  14 f 218.513 5.9888  6406.32   350.511   0.0000    0.0000    6406.32   350.511   ?       ?       218.513 5.9888  ?              ?        
1 1 1 8   -8  15 f 113.824 3.6245  1736.54   110.501   0.0000    0.0000    1736.54   110.501   ?       ?       113.824 3.6245  ?              ?        
1 1 1 8   -8  16 o 261.691 7.0607  9208.27   494.909   0.0000    0.0000    9208.27   494.909   ?       ?       261.691 7.0607  ?              ?        
1 1 1 8   -8  17 o 155.894 3.2109  3261.80   134.067   3280.84   189.083   3242.55   190.119   156.353 4.5150  155.434 4.5666  0.9188232      6.421737 
1 1 1 8   -8  18 o 85.154  2.1793  972.257   49.703    968.000   69.826    976.630   70.766    84.966  3.0682  85.343  3.0958  -0.3769531     4.358636 
1 1 1 8   -8  19 o 93.166  2.2372  1164.04   55.808    1172.40   80.135    1156.16   77.768    93.489  3.2002  92.843  3.1273  0.6463165      4.474445 
1 1 1 8   -8  20 o 27.294  1.8581  102.249   13.194    89.484    19.585    112.855   17.853    25.667  2.8996  28.922  2.3242  -3.254982      3.716147 
1 1 1 8   -8  21 o 108.483 2.5001  1581.72   72.564    1531.60   104.006   1629.27   101.291   106.799 3.6358  110.167 3.4326  -3.368538      5.000227 
1 1 1 8   -8  22 o 116.815 2.6428  1837.34   82.499    1728.16   118.166   1941.17   115.231   113.407 3.8901  120.224 3.5784  -6.817101      5.285664 
1 1 1 8   -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -8  24 o 64.838  2.0006  561.405   34.620    632.518   50.786    499.672   47.318    68.658  2.7616  61.018  2.8952  7.640266       4.001101 
1 1 1 8   -8  25 o 59.855  2.0589  484.524   32.710    448.324   47.985    515.947   44.707    57.701  3.1163  62.010  2.6917  -4.308537      4.117870 
1 1 1 8   -8  26 o 123.621 2.7745  2058.33   91.741    1993.27   131.919   2119.27   127.668   121.710 4.0466  125.533 3.7970  -3.823364      5.549079 
1 1 1 8   -8  27 o 84.000  2.2125  943.839   49.658    1036.73   72.892    863.391   67.835    87.843  3.0980  80.158  3.1595  7.684349       4.424945 
1 1 1 8   -8  28 o 60.899  2.0465  500.899   33.106    480.275   49.065    518.136   44.855    59.690  3.0794  62.108  2.6963  -2.417725      4.093027 
1 1 1 8   -8  29 o 97.549  2.4467  1284.73   63.746    1246.14   92.893    1319.07   87.638    96.135  3.6076  98.962  3.3063  -2.826645      4.893440 
1 1 1 8   -8  30 o 73.235  2.1803  721.076   42.640    744.313   63.175    701.634   57.788    74.302  3.1743  72.168  2.9896  2.134598       4.360510 
1 1 1 8   -8  31 o 58.497  2.0356  454.046   31.390    573.646   47.701    362.700   41.688    65.240  2.7298  51.753  3.0204  13.48674       4.071201 
1 1 1 8   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -8  33 o 88.139  2.3346  1051.85   54.956    1114.82   81.577    999.535   74.361    90.518  3.3647  85.760  3.2372  4.757874       4.669139 
1 1 1 8   -8  34 o 64.415  2.1254  558.516   36.437    616.838   55.496    514.325   48.307    67.316  3.0779  61.514  2.9319  5.801537       4.250834 
1 1 1 8   -8  35 o 26.562  2.3988  96.238    16.210    106.215   26.707    90.418    20.397    27.549  3.7139  25.574  3.0370  1.975300       4.797556 
1 1 1 8   -8  36 o 39.801  2.1394  213.013   22.302    246.835   35.450    190.862   28.690    42.326  3.1495  37.276  2.8963  5.050804       4.278750 
1 1 1 8   -8  37 o 23.264  2.6988  75.654    15.717    83.063    26.159    71.469    19.661    24.005  4.2227  22.522  3.3621  1.482790       5.397636 
1 1 1 8   -8  38 f 14.422  3.1100  30.367    12.852    26.299    22.070    32.454    15.808    13.934  4.8374  14.911  3.9100  -0.9766655     6.220050 
1 1 1 8   -8  39 f 23.124  2.9828  84.213    16.637    61.592    27.750    96.906    20.787    19.994  5.1502  26.254  3.0105  -6.259968      5.965507 
1 1 1 8   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -8  41 o 13.299  3.0875  27.293    14.144    1.4397    25.987    38.176    16.860    10.778  4.7195  15.819  3.9820  -5.041160      6.174976 
1 1 1 8   -8  42 o 23.877  3.3209  100.468   18.997    65.225    33.116    117.753   23.192    19.247  5.8811  28.507  3.0866  -9.259401      6.641895 
1 1 1 8   -8  43 o 13.274  3.3756  26.763    14.469    26.676    27.182    26.797    17.092    13.467  5.2408  13.081  4.2558  0.3856268      6.751175 
1 1 1 8   -8  44 o 11.598  3.1210  18.083    14.628    -4.4996   26.140    28.378    17.650    9.8946  4.5012  13.302  4.3246  -3.407125      6.242010 
1 1 1 8   -8  45 o 15.139  3.4538  42.800    17.420    17.039    32.786    52.933    20.563    12.426  5.3724  17.853  4.3420  -5.426658      6.907611 
1 1 1 8   -8  46 o 16.182  3.1704  53.324    18.433    -1.8639   34.065    76.174    21.919    10.738  4.9769  21.625  3.9291  -10.88623      6.340888 
1 1 1 8   -7  0  o 234.202 4.4666  7358.08   280.036   7081.19   396.244   7634.36   395.818   229.793 6.4378  238.611 6.1932  -8.818542      8.933141 
1 1 1 8   -7  1  o 504.454 9.2709  34269.57  1252.62   34567.27  1772.26   33972.40  1770.70   506.654 13.059  502.254 13.162  4.400116       18.54173 
1 1 1 8   -7  2  o 257.531 4.8498  8895.80   334.538   8930.45   473.255   8861.19   472.961   258.033 6.8475  257.030 6.8699  1.003937       9.699693 
1 1 1 8   -7  3  o 173.081 3.4032  4014.95   157.767   3984.76   222.686   4045.37   223.549   172.428 4.8217  173.734 4.8040  -1.306763      6.806354 
1 1 1 8   -7  4  o 629.087 11.558  53465.39  1947.46   53326.93  2753.63   53603.96  2754.63   628.266 16.363  629.908 16.327  -1.642212      23.11533 
1 1 1 8   -7  5  f 302.109 5.6579  12249.89  457.771   12486.45  647.638   12013.69  647.136   305.030 7.9269  299.188 8.0754  5.841766       11.31577 
1 1 1 8   -7  6  o 271.059 5.0933  9857.50   369.744   9709.13   523.634   10005.03  522.162   269.020 7.2670  273.097 7.1384  -4.076904      10.18654 
1 1 1 8   -7  7  o 373.147 6.8731  18705.29  686.942   18654.14  972.753   18756.19  970.217   372.635 9.7461  373.659 9.6940  -1.023987      13.74626 
1 1 1 8   -7  8  o 197.680 3.8268  5238.56   202.611   5215.47   287.496   5261.35   285.586   197.246 5.4417  198.114 5.3819  -0.8677826     7.653531 
1 1 1 8   -7  9  o 374.792 6.9258  18872.56  695.167   19242.54  983.806   18503.62  982.424   378.471 9.7048  371.112 9.8834  7.359070       13.85151 
1 1 1 8   -7  10 o 400.426 10.575  21553.99  1134.24   21553.99  1134.24   0.0000    0.0000    400.426 10.575  ?       ?       ?              ?        
1 1 1 8   -7  11 o 159.743 4.5576  3419.95   195.006   3419.95   195.006   0.0000    0.0000    159.743 4.5576  ?       ?       ?              ?        
1 1 1 8   -7  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -7  13 o 323.409 8.5234  14049.80  738.334   14049.80  738.334   0.0000    0.0000    323.409 8.5234  ?       ?       ?              ?        
1 1 1 8   -7  14 o 155.350 4.5192  3235.24   188.044   0.0000    0.0000    3235.24   188.044   ?       ?       155.350 4.5192  ?              ?        
1 1 1 8   -7  15 o 218.566 6.0245  6411.47   352.692   0.0000    0.0000    6411.47   352.692   ?       ?       218.566 6.0245  ?              ?        
1 1 1 8   -7  16 o 121.475 3.7505  1978.32   122.029   0.0000    0.0000    1978.32   122.029   ?       ?       121.475 3.7505  ?              ?        
1 1 1 8   -7  17 o 68.622  2.3122  612.517   39.887    689.603   71.225    577.297   48.144    71.612  3.7261  65.631  2.7387  5.981232       4.624330 
1 1 1 8   -7  18 o 124.449 2.6948  2079.25   89.768    2026.54   128.161   2130.01   125.775   122.895 3.8934  126.004 3.7267  -3.108513      5.389511 
1 1 1 8   -7  19 o 97.470  2.3236  1274.74   60.627    1263.96   87.019    1284.91   84.513    97.066  3.3470  97.873  3.2238  -0.8069763     4.647114 
1 1 1 8   -7  20 o 59.848  1.9396  485.652   30.715    422.352   44.480    543.354   42.467    56.035  2.9742  63.661  2.4905  -7.626064      3.879246 
1 1 1 8   -7  21 o 79.716  2.1457  856.271   45.617    789.312   65.780    918.307   63.315    76.693  3.2022  82.740  2.8570  -6.046928      4.291460 
1 1 1 8   -7  22 o 34.431  1.8554  158.939   16.927    173.243   25.179    147.142   22.866    35.842  2.6413  33.020  2.6066  2.822659       3.710878 
1 1 1 8   -7  23 f 117.330 5.1058  1854.91   160.460   0.0000    0.0000    1854.91   160.460   ?       ?       117.330 5.1058  ?              ?        
1 1 1 8   -7  24 o 116.120 2.6139  1810.20   81.261    1874.49   117.070   1750.42   112.885   118.108 3.7006  114.133 3.6926  3.974754       5.227839 
1 1 1 8   -7  25 o 212.646 4.2462  6116.52   241.697   5925.34   343.961   6302.99   339.700   209.318 6.1350  215.973 5.8723  -6.655258      8.492449 
1 1 1 8   -7  26 o 97.764  2.4458  1290.61   63.734    1190.82   92.293    1381.57   88.120    94.114  3.6612  101.414 3.2440  -7.299934      4.891638 
1 1 1 8   -7  27 o 103.675 2.4629  1441.61   68.300    1544.29   99.384    1349.71   94.021    107.167 3.4623  100.183 3.5038  6.983521       4.925892 
1 1 1 8   -7  28 o 63.673  2.1245  553.100   35.623    487.764   52.992    606.969   48.118    60.124  3.3033  67.222  2.6724  -7.098003      4.248950 
1 1 1 8   -7  29 o 59.776  2.0932  484.193   33.142    457.822   49.482    505.647   44.631    58.226  3.1849  61.326  2.7171  -3.100117      4.186428 
1 1 1 8   -7  30 o 18.002  2.7151  42.247    12.653    66.933    20.569    27.221    16.048    21.977  3.6204  14.027  4.0472  7.949996       5.430199 
1 1 1 8   -7  31 o 57.073  2.0217  435.801   30.688    480.073   46.447    401.501   40.883    59.652  2.9070  54.495  2.8105  5.157272       4.043450 
1 1 1 8   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -7  33 f 41.011  2.0857  230.795   22.314    220.388   34.661    238.162   29.161    40.136  3.2522  41.886  2.6123  -1.750103      4.171416 
1 1 1 8   -7  34 o 26.130  2.3072  89.452    15.314    124.850   25.085    68.420    19.336    30.114  3.1569  22.147  3.3655  7.966425       4.614402 
1 1 1 8   -7  35 o 15.334  2.9405  30.740    12.033    45.691    20.705    23.114    14.787    17.782  4.3767  12.886  3.9283  4.896397       5.881064 
1 1 1 8   -7  36 o 22.893  2.7192  73.702    15.546    77.160    25.760    71.722    19.496    23.162  4.3109  22.625  3.3156  0.5374870      5.438490 
1 1 1 8   -7  37 o 13.893  3.1199  25.598    12.362    32.573    21.988    22.375    14.949    15.132  4.8178  12.654  3.9655  2.477960       6.239889 
1 1 1 8   -7  38 o 48.354  2.2284  316.996   28.187    369.078   45.377    284.272   35.968    51.424  3.3120  45.284  2.9821  6.140545       4.456705 
1 1 1 8   -7  39 o 18.872  3.1096  57.072    15.142    39.838    25.932    65.988    18.653    16.278  5.2373  21.466  3.3538  -5.188246      6.219111 
1 1 1 8   -7  40 o 17.784  4.0454  47.554    18.835    0.0000    0.0000    47.554    18.835    ?       ?       17.784  4.0454  ?              ?        
1 1 1 8   -7  41 o 18.869  3.2847  59.321    16.306    43.951    28.140    67.091    20.007    16.478  5.4656  21.260  3.6446  -4.782293      6.569300 
1 1 1 8   -7  42 o 20.624  3.0884  55.436    16.118    113.989   29.789    31.197    19.166    27.166  4.2317  14.082  4.4995  13.08418       6.176805 
1 1 1 8   -7  43 f 23.757  3.1597  88.160    18.015    96.025    32.599    84.702    21.616    23.778  5.2581  23.737  3.5054  0.4127121E-01  6.319404 
1 1 1 8   -7  44 o 25.462  3.4192  114.387   20.535    88.446    36.256    126.640   24.917    21.724  6.0218  29.199  3.2405  -7.475294      6.838370 
1 1 1 8   -7  45 o 12.894  3.5384  20.439    15.318    44.560    31.574    13.013    17.518    15.414  5.7297  10.373  4.1536  5.041922       7.076836 
1 1 1 8   -7  46 o 18.648  7.0280  90.439    47.826    90.439    47.826    0.0000    0.0000    18.648  7.0280  ?       ?       ?              ?        
1 1 1 8   -6  0  o 333.239 6.1758  14909.10  551.235   14953.90  780.058   14864.43  779.070   333.740 8.7263  332.738 8.7415  1.001343       12.35158 
1 1 1 8   -6  1  o 290.967 5.4499  11360.60  424.737   11315.29  601.102   11405.78  600.237   290.386 7.7283  291.548 7.6864  -1.161926      10.89987 
1 1 1 8   -6  2  o 249.618 4.7228  8357.10   315.765   8352.80   446.489   8361.39   446.630   249.554 6.6797  249.683 6.6784  -0.1283875     9.445579 
1 1 1 8   -6  3  o 604.057 11.088  49267.97  1793.97   49635.35  2536.82   48900.46  2537.28   606.329 15.620  601.786 15.741  4.542969       22.17617 
1 1 1 8   -6  4  o 145.238 2.8995  2826.85   112.782   2777.24   159.544   2876.41   159.451   143.964 4.1375  146.513 4.0631  -2.549408      5.798956 
1 1 1 8   -6  5  o 510.571 9.3611  35115.81  1280.15   34836.86  1811.25   35394.24  1809.56   508.532 13.298  512.610 13.179  -4.078552      18.72221 
1 1 1 8   -6  6  o 44.431  1.5702  264.740   18.619    265.419   27.178    264.139   25.558    44.455  2.2903  44.407  2.1488  0.4795837E-01  3.140450 
1 1 1 8   -6  7  o 456.394 8.3466  28023.68  1020.31   27922.65  1443.61   28124.51  1442.27   455.567 11.831  457.221 11.777  -1.653229      16.69312 
1 1 1 8   -6  8  o 447.750 8.2431  26968.63  988.554   26738.92  1398.05   27198.32  1398.00   445.834 11.707  449.665 11.607  -3.830719      16.48611 
1 1 1 8   -6  9  o 494.034 9.1147  32863.13  1206.11   32869.46  1705.43   32856.80  1705.97   494.082 12.887  493.986 12.893  0.9652710E-01  18.22938 
1 1 1 8   -6  10 o 54.829  1.7840  402.536   26.194    393.030   36.641    412.474   37.462    54.167  2.5255  55.491  2.5204  -1.323765      3.567982 
1 1 1 8   -6  11 o 232.263 6.2856  7234.39   391.034   7234.39   391.034   0.0000    0.0000    232.263 6.2856  ?       ?       ?              ?        
1 1 1 8   -6  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -6  13 o 468.441 12.262  29565.29  1538.53   29565.29  1538.53   0.0000    0.0000    468.441 12.262  ?       ?       ?              ?        
1 1 1 8   -6  14 o 412.677 10.794  23060.35  1192.25   24153.71  1690.94   21979.43  1681.30   422.499 14.942  402.854 15.581  19.64511       21.58814 
1 1 1 8   -6  15 o 144.592 4.2314  2802.80   163.875   0.0000    0.0000    2802.80   163.875   ?       ?       144.592 4.2314  ?              ?        
1 1 1 8   -6  16 o 277.716 7.4205  10371.21  551.980   0.0000    0.0000    10371.21  551.980   ?       ?       277.716 7.4205  ?              ?        
1 1 1 8   -6  17 f 241.906 6.4974  7869.04   420.996   0.0000    0.0000    7869.04   420.996   ?       ?       241.906 6.4974  ?              ?        
1 1 1 8   -6  18 o 60.736  1.8863  493.950   30.382    584.384   44.222    413.108   41.811    66.031  2.5004  55.440  2.8250  10.59133       3.772593 
1 1 1 8   -6  19 o 114.457 2.5657  1759.38   78.588    1710.73   112.466   1805.79   109.859   112.904 3.7190  116.010 3.5355  -3.106117      5.131351 
1 1 1 8   -6  20 o 154.245 3.2000  3199.27   132.141   3128.04   188.380   3268.26   185.405   152.543 4.6106  155.946 4.4387  -3.402924      6.399965 
1 1 1 8   -6  21 o 92.429  2.3590  1158.30   57.743    978.649   82.862    1327.89   80.510    85.373  3.6236  99.486  3.0213  -14.11224      4.717968 
1 1 1 8   -6  22 o 149.784 3.9610  3080.53   148.670   3191.12   182.574   2862.88   256.132   154.037 4.4251  145.531 6.5708  8.506073       7.921967 
1 1 1 8   -6  23 o 67.466  2.0254  607.385   36.020    760.520   53.292    478.581   48.875    75.296  2.6424  59.635  3.0702  15.66125       4.050754 
1 1 1 8   -6  24 o 245.062 4.7640  8131.48   312.696   8202.34   444.654   8062.15   439.823   246.115 6.7452  244.009 6.7295  2.106079       9.528057 
1 1 1 8   -6  25 o 366.194 6.9802  18413.53  684.627   18313.54  970.698   18512.50  965.737   365.156 9.9247  367.232 9.8181  -2.075806      13.96050 
1 1 1 8   -6  26 o 140.152 2.9558  2640.24   110.755   2874.19   159.659   2423.23   153.769   146.145 4.0787  134.158 4.2792  11.98627       5.911617 
1 1 1 8   -6  27 o 136.595 2.9401  2510.08   107.479   2653.81   155.043   2377.11   149.124   140.361 4.1240  132.829 4.1915  7.531464       5.880126 
1 1 1 8   -6  28 o 115.081 2.6139  1778.45   80.407    1944.65   117.133   1630.34   110.575   120.160 3.6394  110.002 3.7529  10.15802       5.227761 
1 1 1 8   -6  29 o 76.295  2.2478  786.760   45.665    753.323   67.494    814.987   62.013    74.768  3.3703  77.821  2.9751  -3.052979      4.495519 
1 1 1 8   -6  30 o 41.924  2.0944  239.052   23.061    230.961   35.217    245.126   30.513    41.257  3.2122  42.591  2.6885  -1.334450      4.188851 
1 1 1 8   -6  31 o 48.155  2.0238  310.692   25.744    337.146   39.760    291.595   33.782    49.884  2.9895  46.426  2.7287  3.458256       4.047583 
1 1 1 8   -6  32 o 46.464  2.5839  299.668   28.531    285.462   53.185    305.408   33.807    45.446  4.4253  47.482  2.6690  -2.035488      5.167896 
1 1 1 8   -6  33 o 12.594  2.7211  14.111    10.762    40.958    18.900    1.2299    13.092    16.941  4.1888  8.2476  3.4744  8.693395       5.442165 
1 1 1 8   -6  34 o 55.018  2.1333  413.820   30.935    405.609   47.485    419.875   40.776    54.418  3.2730  55.619  2.7371  -1.200600      4.266644 
1 1 1 8   -6  35 o 66.093  2.2101  595.499   38.738    607.516   59.325    586.567   51.148    66.585  3.3264  65.601  2.9109  0.9839096      4.420227 
1 1 1 8   -6  36 o 41.294  2.1945  234.145   23.549    239.032   37.603    230.992   30.205    41.529  3.4106  41.059  2.7625  0.4700470      4.389068 
1 1 1 8   -6  37 o 35.735  2.4707  186.064   21.894    151.675   35.366    207.431   27.877    32.617  4.1414  38.853  2.6954  -6.236038      4.941338 
1 1 1 8   -6  38 o 20.556  3.0563  62.273    15.514    61.833    26.922    62.492    18.983    20.221  4.9992  20.891  3.5175  -0.6703968     6.112660 
1 1 1 8   -6  39 o 9.4066  4.2594  -9.0780   23.073    -9.0780   23.073    0.0000    0.0000    9.4066  4.2594  ?       ?       ?              ?        
1 1 1 8   -6  40 o 18.964  3.2959  53.977    15.736    60.673    28.171    50.940    18.971    19.493  5.2695  18.434  3.9604  1.059479       6.591829 
1 1 1 8   -6  41 o 29.712  2.8052  130.743   20.382    135.955   35.534    128.187   24.882    29.602  4.6336  29.823  3.1631  -0.2209206     5.610352 
1 1 1 8   -6  42 o 34.044  2.6514  169.455   22.575    187.519   39.019    160.365   27.679    34.865  4.2673  33.223  3.1479  1.641933       5.302768 
1 1 1 8   -6  43 o 25.923  3.3453  118.031   20.446    82.716    34.971    136.371   25.202    21.333  5.9144  30.512  3.1279  -9.179379      6.690633 
1 1 1 8   -6  44 o 10.908  3.1782  12.925    14.106    7.7017    27.200    14.847    16.497    11.145  4.8557  10.671  4.1021  0.4740992      6.356454 
1 1 1 8   -6  45 f 13.499  3.4571  31.629    16.172    17.241    32.359    36.420    18.671    12.324  5.3327  14.674  4.4009  -2.350535      6.914171 
1 1 1 8   -6  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -5  0  o 245.358 4.6509  8073.96   305.638   8168.08   432.707   7980.24   431.770   246.787 6.5461  243.929 6.6084  2.857559       9.301782 
1 1 1 8   -5  1  o 226.572 4.2961  6883.47   260.716   6934.83   369.069   6832.31   368.349   227.417 6.0589  225.728 6.0924  1.688751       8.592295 
1 1 1 8   -5  2  o 379.287 7.0252  19329.99  713.690   19235.46  1008.85   19424.69  1009.77   378.356 9.9549  380.217 9.9152  -1.861542      14.05032 
1 1 1 8   -5  3  o 314.427 5.8572  13271.03  493.276   13165.33  697.600   13376.72  697.596   313.171 8.3164  315.681 8.2502  -2.510040      11.71447 
1 1 1 8   -5  4  o 167.183 3.2995  3746.96   147.708   3680.75   210.086   3811.68   207.715   165.720 4.7330  168.645 4.5984  -2.925323      6.598926 
1 1 1 8   -5  5  o 349.004 6.3917  16356.94  597.493   16463.56  846.165   16250.92  843.806   350.140 9.0224  347.868 9.0561  2.272125       12.78344 
1 1 1 8   -5  6  o 296.026 5.5119  11759.60  437.040   11794.73  618.440   11724.55  617.696   296.468 7.7881  295.584 7.8020  0.8844299      11.02385 
1 1 1 8   -5  7  o 429.124 7.9522  24765.05  913.977   25059.94  1292.56   24470.16  1292.55   431.689 11.179  426.558 11.313  5.131134       15.90439 
1 1 1 8   -5  8  o 328.328 6.1406  14472.75  539.997   14591.12  763.339   14354.18  764.005   329.675 8.6445  326.980 8.7234  2.694946       12.28112 
1 1 1 8   -5  9  o 339.571 6.3354  15484.96  576.095   15860.46  814.615   15109.27  814.827   343.701 8.8488  335.442 9.0690  8.259338       12.67072 
1 1 1 8   -5  10 o 202.470 3.8908  5499.13   210.692   5870.57   299.003   5132.81   296.935   209.272 5.3343  195.669 5.6657  13.60260       7.781656 
1 1 1 8   -5  11 f 265.802 7.1162  9477.88   506.635   9477.88   506.635   0.0000    0.0000    265.802 7.1162  ?       ?       ?              ?        
1 1 1 8   -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -5  13 o 162.163 4.6600  3524.80   202.407   3524.80   202.407   0.0000    0.0000    162.163 4.6600  ?       ?       ?              ?        
1 1 1 8   -5  14 o 245.025 6.6374  8056.69   435.606   8056.69   435.606   0.0000    0.0000    245.025 6.6374  ?       ?       ?              ?        
1 1 1 8   -5  15 o 173.842 4.8817  4052.85   227.307   0.0000    0.0000    4052.85   227.307   ?       ?       173.842 4.8817  ?              ?        
1 1 1 8   -5  16 o 354.699 9.3896  16960.20  892.063   0.0000    0.0000    16960.20  892.063   ?       ?       354.699 9.3896  ?              ?        
1 1 1 8   -5  17 o 150.510 4.3838  3039.54   176.729   0.0000    0.0000    3039.54   176.729   ?       ?       150.510 4.3838  ?              ?        
1 1 1 8   -5  18 o 58.778  1.8834  464.938   29.528    435.541   42.853    491.513   40.744    56.999  2.8069  60.557  2.5120  -3.557880      3.766757 
1 1 1 8   -5  19 o 198.463 3.9366  5301.05   209.218   5222.24   297.433   5378.24   294.348   196.991 5.6371  199.935 5.4965  -2.944458      7.873235 
1 1 1 8   -5  20 o 74.143  2.0419  736.823   40.513    747.667   58.747    726.989   55.943    74.661  2.9377  73.625  2.8368  1.035919       4.083828 
1 1 1 8   -5  21 o 60.455  1.9401  491.805   31.302    465.491   45.452    515.545   43.171    58.907  2.8807  62.003  2.5995  -3.095749      3.880143 
1 1 1 8   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -5  23 o 196.041 3.8908  5181.70   204.272   5303.84   291.259   5063.46   286.566   198.319 5.4831  193.763 5.5216  4.555511       7.781542 
1 1 1 8   -5  24 o 93.596  2.3691  1177.69   59.278    1153.12   86.027    1199.90   81.795    92.657  3.4663  94.535  3.2303  -1.878586      4.738188 
1 1 1 8   -5  25 o 160.264 3.3250  3459.93   142.677   3445.28   204.319   3473.86   199.325   159.919 4.7700  160.608 4.6335  -0.6887360     6.649955 
1 1 1 8   -5  26 o 132.149 2.8937  2350.57   102.352   2342.90   147.438   2357.71   142.200   131.928 4.1724  132.370 4.0107  -0.4418488     5.787462 
1 1 1 8   -5  27 o 90.405  2.3037  1094.61   55.680    1179.27   81.624    1020.93   76.147    93.663  3.2536  87.147  3.2622  6.515182       4.607373 
1 1 1 8   -5  28 o 139.746 2.9900  2631.57   111.762   2834.84   161.587   2445.14   154.745   144.927 4.1626  134.564 4.2934  10.36284       5.979996 
1 1 1 8   -5  29 o 89.473  2.3534  1075.75   56.262    1122.31   83.117    1036.37   76.435    91.242  3.4010  87.703  3.2538  3.538528       4.706781 
1 1 1 8   -5  30 o 95.570  2.4128  1229.50   61.645    1302.97   90.683    1166.37   84.053    98.207  3.4474  92.933  3.3767  5.274216       4.825649 
1 1 1 8   -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -5  32 o 93.098  2.4424  1176.89   60.696    1190.27   89.836    1165.65   82.328    93.531  3.5860  92.664  3.3170  0.8673096      4.884831 
1 1 1 8   -5  33 o 34.721  2.1221  162.617   19.233    177.220   30.490    152.968   24.785    35.958  3.1992  33.484  2.7890  2.474270       4.244158 
1 1 1 8   -5  34 o 38.755  2.1258  204.411   21.524    212.461   33.929    198.990   27.844    39.321  3.2506  38.188  2.7404  1.133152       4.251604 
1 1 1 8   -5  35 o 52.464  2.1561  375.555   29.729    386.556   46.405    367.896   38.717    53.020  3.2838  51.907  2.7950  1.112988       4.312243 
1 1 1 8   -5  36 o 41.655  2.2595  242.303   24.270    227.672   38.562    251.899   31.231    40.428  3.5988  42.883  2.7333  -2.454773      4.519095 
1 1 1 8   -5  37 o 20.611  2.9614  62.905    15.016    57.769    25.840    65.525    18.451    19.684  4.9157  21.538  3.3038  -1.853846      5.922778 
1 1 1 8   -5  38 o 10.865  2.9003  12.878    12.001    -2.7185   21.520    19.918    14.458    9.7449  4.2802  11.985  3.9149  -2.240288      5.800581 
1 1 1 8   -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -5  40 o 36.387  2.4023  180.963   22.418    229.683   37.918    154.784   27.796    39.847  3.5913  32.926  3.1918  6.921036       4.804695 
1 1 1 8   -5  41 o 20.758  3.1441  57.114    16.373    107.748   30.034    35.705    19.530    26.435  4.3962  15.082  4.4960  11.35309       6.288109 
1 1 1 8   -5  42 o 24.557  3.3887  110.159   19.929    63.794    34.677    133.027   24.353    18.810  6.0568  30.305  3.0412  -11.49476      6.777414 
1 1 1 8   -5  43 o 13.263  3.5172  25.202    15.769    31.826    29.121    22.454    18.757    14.230  5.4548  12.297  4.4415  1.932463       7.034309 
1 1 1 8   -5  44 o 16.996  3.6266  49.709    16.940    52.172    31.919    48.743    19.987    16.744  5.8172  17.248  4.3323  -0.5031147     7.253172 
1 1 1 8   -5  45 o 15.529  3.5506  46.488    17.695    26.276    34.652    53.618    20.581    13.220  5.6152  17.839  4.3471  -4.618518      7.101294 
1 1 1 8   -4  0  o 231.713 4.4162  7202.45   273.947   6939.13   387.525   7465.49   387.315   227.473 6.3604  235.954 6.1284  -8.481140      8.832426 
1 1 1 8   -4  1  o 220.058 5.1294  6581.94   282.794   6745.81   346.030   6252.39   490.722   224.308 5.7594  215.808 8.4895  8.500427       10.25875 
1 1 1 8   -4  2  o 513.810 11.950  36448.23  1532.94   37906.16  1878.83   33545.09  2651.26   530.455 13.224  497.165 19.910  33.28970       23.90095 
1 1 1 8   -4  3  o 470.707 8.6043  29824.39  1084.66   29245.86  1534.57   30401.98  1533.31   466.122 12.291  475.293 12.044  -9.171844      17.20870 
1 1 1 8   -4  4  o 143.178 2.8885  2747.00   110.770   2745.85   157.422   2748.13   155.894   143.148 4.1057  143.208 4.0642  -0.6013489E-01 5.777071 
1 1 1 8   -4  5  o 461.096 8.5071  28614.79  1050.46   29257.82  1485.85   27972.25  1485.30   466.300 11.897  455.892 12.164  10.40833       17.01413 
1 1 1 8   -4  6  o 330.102 6.1285  14629.66  541.859   14685.85  766.870   14573.63  765.740   330.736 8.6567  329.468 8.6772  1.268005       12.25691 
1 1 1 8   -4  7  o 129.164 2.7215  2239.35   93.757    2496.55   133.444   1988.61   131.758   136.504 3.6498  121.823 4.0379  14.68096       5.442937 
1 1 1 8   -4  8  o 361.517 6.6990  17554.06  648.668   17670.60  918.188   17437.94  916.523   362.718 9.4509  360.317 9.4966  2.400757       13.39798 
1 1 1 8   -4  9  o 269.986 5.0961  9778.42   368.499   9942.51   522.022   9615.43   520.255   272.247 7.1588  267.725 7.2550  4.521362       10.19229 
1 1 1 8   -4  10 o 669.974 12.273  60697.30  2202.22   61558.54  3115.87   59837.69  3112.95   674.766 17.240  665.182 17.472  9.583496       24.54564 
1 1 1 8   -4  11 o 467.076 8.6609  29373.52  1082.89   28220.67  1531.36   30526.60  1531.52   457.860 12.487  476.292 12.005  -18.43164      17.32171 
1 1 1 8   -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -4  13 o 333.835 8.8341  14971.43  789.920   14971.43  789.920   0.0000    0.0000    333.835 8.8341  ?       ?       ?              ?        
1 1 1 8   -4  14 o 183.240 5.1616  4502.33   253.336   4502.33   253.336   0.0000    0.0000    183.240 5.1616  ?       ?       ?              ?        
1 1 1 8   -4  15 o 155.684 4.4344  3249.75   184.913   0.0000    0.0000    3249.75   184.913   ?       ?       155.684 4.4344  ?              ?        
1 1 1 8   -4  16 o 190.533 5.3677  4872.71   273.933   0.0000    0.0000    4872.71   273.933   ?       ?       190.533 5.3677  ?              ?        
1 1 1 8   -4  17 o 91.570  3.0843  1124.06   75.648    0.0000    0.0000    1124.06   75.648    ?       ?       91.570  3.0843  ?              ?        
1 1 1 8   -4  18 o 56.712  2.2713  419.636   31.876    465.597   58.346    400.079   38.059    58.792  3.7244  54.633  2.6008  4.159340       4.542589 
1 1 1 8   -4  19 o 172.542 3.4630  4001.06   160.018   4101.88   228.122   3903.40   224.520   174.684 4.8756  170.400 4.9192  4.284439       6.926020 
1 1 1 8   -4  20 o 253.465 4.9344  8690.23   334.456   8158.89   474.418   9215.24   471.578   245.679 7.2095  261.252 6.7392  -15.57295      9.868793 
1 1 1 8   -4  21 o 108.474 2.5090  1579.16   72.863    1599.57   104.919   1560.14   101.265   109.148 3.5888  107.800 3.5071  1.347504       5.017910 
1 1 1 8   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -4  23 o 94.774  2.3410  1204.78   59.373    1232.34   86.151    1179.85   81.940    95.802  3.3574  93.746  3.2633  2.055786       4.681990 
1 1 1 8   -4  24 o 150.995 3.1845  3069.82   128.706   3021.70   184.552   3115.38   179.584   149.827 4.5988  152.163 4.4062  -2.336502      6.368968 
1 1 1 8   -4  25 f 106.033 2.4870  1505.63   70.231    1744.13   102.402   1293.81   96.503    113.951 3.3551  98.115  3.6721  15.83557       4.974034 
1 1 1 8   -4  26 o 112.962 2.5899  1711.36   78.228    1857.03   113.672   1580.31   107.821   117.522 3.6111  108.401 3.7135  9.121620       5.179812 
1 1 1 8   -4  27 o 118.075 2.7227  1877.21   86.001    1881.51   124.810   1873.32   118.671   118.188 3.9426  117.961 3.7559  0.2263184      5.445303 
1 1 1 8   -4  28 o 67.723  2.1248  612.642   38.385    663.958   57.550    571.518   51.519    70.255  3.0583  65.191  2.9505  5.063805       4.249514 
1 1 1 8   -4  29 o 10.337  2.8001  2.1544    11.061    23.045    19.605    -7.5999   13.396    13.502  4.5630  7.1715  3.2466  6.330893       5.600123 
1 1 1 8   -4  30 o 56.355  2.1129  432.745   31.398    402.046   47.330    456.876   41.961    54.468  3.2591  58.242  2.6898  -3.773640      4.225780 
1 1 1 8   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -4  32 o 46.780  2.0750  296.943   25.557    301.230   39.408    293.830   33.574    47.020  3.1472  46.540  2.7050  0.4794388      4.149947 
1 1 1 8   -4  33 o 46.061  2.1326  291.362   25.687    278.867   39.795    300.285   33.630    45.117  3.3163  47.005  2.6823  -1.888100      4.265255 
1 1 1 8   -4  34 o 32.476  2.2048  142.441   18.559    158.088   29.946    132.684   23.647    33.844  3.3473  31.107  2.8705  2.736879       4.409581 
1 1 1 8   -4  35 o 20.273  2.8736  62.339    14.447    46.553    23.890    71.441    18.140    17.878  4.8609  22.669  3.0662  -4.790958      5.747210 
1 1 1 8   -4  36 o 52.352  2.2382  376.950   30.718    384.095   48.155    372.049   39.888    52.637  3.4344  52.068  2.8712  0.5686111      4.476486 
1 1 1 8   -4  37 o 39.109  2.2721  207.022   22.948    238.256   38.012    189.111   28.785    41.255  3.4722  36.962  2.9315  4.292454       4.544264 
1 1 1 8   -4  38 o 16.698  3.1885  37.292    13.886    57.191    25.093    28.509    16.671    19.423  4.8406  13.972  4.1514  5.451622       6.376921 
1 1 1 8   -4  39 o 10.071  3.0484  3.5863    13.568    1.4631    25.310    4.4426    16.073    10.836  4.7026  9.3064  3.8802  1.529750       6.096766 
1 1 1 8   -4  40 o 36.067  2.5265  179.720   23.214    224.721   39.800    156.517   28.579    39.125  3.8477  33.010  3.2755  6.114601       5.053050 
1 1 1 8   -4  41 o 21.183  3.2451  63.607    16.945    96.803    30.876    49.298    20.271    24.630  4.8528  17.736  4.3096  6.894201       6.490191 
1 1 1 8   -4  42 o 29.295  3.2004  137.793   22.240    126.159   38.778    143.495   27.150    27.319  5.4900  31.271  3.2908  -3.952318      6.400723 
1 1 1 8   -4  43 o 15.560  3.3936  43.126    16.585    19.722    31.117    52.413    19.601    12.926  5.3950  18.193  4.1183  -5.267443      6.787187 
1 1 1 8   -4  44 o 16.836  3.6424  52.823    18.273    37.303    34.570    58.841    21.527    14.721  5.8547  18.952  4.3348  -4.230678      7.284748 
1 1 1 8   -4  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -3  0  o 738.964 19.155  74034.70  3791.34   74034.70  3791.34   0.0000    0.0000    738.964 19.155  ?       ?       ?              ?        
1 1 1 8   -3  1  o 135.247 4.0145  2451.02   145.428   2451.02   145.428   0.0000    0.0000    135.247 4.0145  ?       ?       ?              ?        
1 1 1 8   -3  2  o 217.814 5.9032  6361.27   344.399   6361.27   344.399   0.0000    0.0000    217.814 5.9032  ?       ?       ?              ?        
1 1 1 8   -3  3  o 227.921 5.3419  6981.83   307.673   7004.99   377.437   6935.95   531.175   228.558 6.1654  227.283 8.7253  1.274658       10.68376 
1 1 1 8   -3  4  o 94.947  2.2135  1208.82   56.167    1309.50   79.810    1110.03   79.059    98.868  3.0138  91.025  3.2427  7.843376       4.426915 
1 1 1 8   -3  5  o 379.055 6.9954  19317.87  709.416   20420.22  1004.57   18221.24  1001.96   389.882 9.6196  368.227 10.159  21.65543       13.99076 
1 1 1 8   -3  6  o 249.070 4.7196  8320.19   314.860   8357.45   445.878   8283.14   444.682   249.626 6.6686  248.513 6.6805  1.112869       9.439294 
1 1 1 8   -3  7  o 170.381 3.4260  3894.16   156.176   3691.76   221.308   4094.94   220.426   165.964 4.9785  174.799 4.7080  -8.835052      6.852016 
1 1 1 8   -3  8  o 72.171  2.0166  706.173   38.390    570.813   54.716    837.413   53.877    65.275  3.1295  79.067  2.5440  -13.79161      4.033110 
1 1 1 8   -3  9  o 761.375 13.989  78621.72  2851.10   81872.36  4035.39   75381.76  4028.75   777.281 19.383  745.470 20.177  31.81158       27.97853 
1 1 1 8   -3  10 o 398.960 7.4044  21394.61  791.055   20881.36  1119.21   21906.97  1118.23   394.160 10.601  403.759 10.340  -9.598907      14.80873 
1 1 1 8   -3  11 o 265.290 90.065  4175.42   17944.31  4291.50   21977.24  3943.25   31080.37  257.417 121.562 273.163 132.926 -15.74637      180.1293 
1 1 1 8   -3  12 o 54.045  3.7263  393.226   53.612    393.226   53.612    0.0000    0.0000    54.045  3.7263  ?       ?       ?              ?        
1 1 1 8   -3  13 o 423.623 11.121  24153.84  1261.85   24153.84  1261.85   0.0000    0.0000    423.623 11.121  ?       ?       ?              ?        
1 1 1 8   -3  14 o 437.388 11.455  25783.95  1342.05   25783.95  1342.05   0.0000    0.0000    437.388 11.455  ?       ?       ?              ?        
1 1 1 8   -3  15 o 276.331 7.3865  10296.23  546.532   10649.48  776.234   9948.97   769.633   281.055 10.311  271.607 10.579  9.448303       14.77305 
1 1 1 8   -3  16 o 184.598 5.2246  4573.98   258.326   0.0000    0.0000    4573.98   258.326   ?       ?       184.598 5.2246  ?              ?        
1 1 1 8   -3  17 o 107.145 3.4171  1539.41   98.066    0.0000    0.0000    1539.41   98.066    ?       ?       107.145 3.4171  ?              ?        
1 1 1 8   -3  18 o 221.106 6.1009  6580.48   361.314   0.0000    0.0000    6580.48   361.314   ?       ?       221.106 6.1009  ?              ?        
1 1 1 8   -3  19 o 133.482 2.9288  2400.51   104.356   2205.55   149.108   2587.68   146.102   128.134 4.3446  138.830 3.9290  -10.69569      5.857701 
1 1 1 8   -3  20 o 130.625 2.8600  2295.38   99.914    2196.57   143.074   2389.43   139.590   127.864 4.1776  133.386 3.9071  -5.521950      5.719911 
1 1 1 8   -3  21 f 79.335  2.2033  850.343   46.499    763.574   67.295    929.623   64.325    75.424  3.3311  83.245  2.8849  -7.821129      4.406672 
1 1 1 8   -3  22 o 145.794 3.6446  2806.43   134.373   3033.97   236.193   2697.54   163.392   149.950 5.8807  141.638 4.3069  8.312195       7.289194 
1 1 1 8   -3  23 o 55.859  2.0143  420.055   29.915    411.043   44.375    427.562   40.502    55.262  3.0093  56.456  2.6784  -1.194778      4.028580 
1 1 1 8   -3  24 o 77.523  2.1818  806.009   45.196    816.725   66.444    796.781   61.659    77.997  3.1805  77.049  2.9877  0.9471054      4.363687 
1 1 1 8   -3  25 o 120.688 2.7308  1957.44   88.206    1985.37   127.659   1931.92   122.016   121.503 3.9226  119.872 3.8002  1.631294       5.461552 
1 1 1 8   -3  26 o 97.127  2.4146  1266.98   62.705    1286.32   91.735    1250.02   85.908    97.813  3.5015  96.442  3.3257  1.371483       4.829118 
1 1 1 8   -3  27 o 79.059  2.1829  833.353   46.003    954.782   68.392    733.019   62.168    84.280  3.0296  73.837  3.1434  10.44389       4.365742 
1 1 1 8   -3  28 o 5.8236  1.9689  -18.7746  8.9571    -37.5559  15.270    -8.9222   11.060    5.4526  2.7084  6.1945  2.8585  -0.7419229     3.937876 
1 1 1 8   -3  29 o 21.688  2.4704  63.255    13.664    76.705    21.684    54.396    17.598    23.580  3.5428  19.797  3.4438  3.782816       4.940745 
1 1 1 8   -3  30 o 85.679  2.9125  990.354   63.913    969.686   79.404    1028.38   107.710   84.648  3.5022  86.710  4.6546  -2.062019      5.825022 
1 1 1 8   -3  31 o 113.520 2.6947  1749.73   81.776    1815.65   120.212   1692.96   111.567   115.469 3.8868  111.571 3.7333  3.897972       5.389350 
1 1 1 8   -3  32 o 13.649  2.7022  27.534    11.103    9.7877    18.336    37.806    13.951    10.903  4.2866  16.396  3.2911  -5.493139      5.404306 
1 1 1 8   -3  33 o 14.672  2.9243  30.891    11.846    26.701    19.492    33.345    14.917    14.037  4.5432  15.306  3.6831  -1.268738      5.848605 
1 1 1 8   -3  34 o 23.465  2.7304  83.022    15.437    59.871    25.026    97.239    19.612    20.327  4.6917  26.603  2.7941  -6.275404      5.460727 
1 1 1 8   -3  35 o 29.754  2.3647  118.036   17.920    142.907   30.321    104.686   22.214    32.006  3.5993  27.501  3.0681  4.505125       4.729477 
1 1 1 8   -3  36 o 14.202  3.0912  23.653    12.536    44.668    22.672    14.399    15.045    17.426  4.7343  10.978  3.9758  6.448090       6.182315 
1 1 1 8   -3  37 o 22.253  2.7822  67.888    15.519    88.029    26.085    56.853    19.308    24.668  4.0912  19.838  3.7716  4.830185       5.564433 
1 1 1 8   -3  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -3  39 o 9.2549  2.8236  0.6050    12.894    -17.9042  23.658    8.4257    15.378    8.7515  4.0868  9.7583  3.8973  -1.006805      5.647165 
1 1 1 8   -3  40 o 25.821  2.9877  96.437    19.066    117.179   33.210    86.239    23.286    27.507  4.6747  24.135  3.7217  3.372335       5.975316 
1 1 1 8   -3  41 o 37.246  2.6934  201.238   25.181    226.105   43.622    188.810   30.839    38.406  4.3151  36.086  3.2246  2.320930       5.386832 
1 1 1 8   -3  42 o 19.747  3.5117  56.652    17.506    92.186    32.534    42.170    20.770    23.376  5.3161  16.118  4.5899  7.258501       7.023404 
1 1 1 8   -3  43 o 13.287  3.4424  27.864    15.664    15.085    31.841    31.943    17.992    12.485  5.3447  14.089  4.3398  -1.603595      6.884728 
1 1 1 8   -3  44 o 9.6589  2.9586  5.3695    13.776    -18.4224  29.232    12.163    15.620    9.3030  4.4053  10.015  3.9504  -0.7117252     5.917112 
1 1 1 8   -3  45 o 13.406  3.4850  33.167    16.717    18.374    33.354    38.130    19.319    12.132  5.3287  14.680  4.4929  -2.548235      6.970068 
1 1 1 8   -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -2  2  o 280.470 7.4683  10554.70  561.042   10554.70  561.042   0.0000    0.0000    280.470 7.4683  ?       ?       ?              ?        
1 1 1 8   -2  3  o 62.600  1.8213  526.065   30.459    485.621   43.272    565.782   42.882    60.210  2.6832  64.991  2.4634  -4.780918      3.642527 
1 1 1 8   -2  4  o 179.208 4.3246  4295.83   195.706   4338.09   339.764   4274.84   239.412   179.830 7.0539  178.587 5.0050  1.242661       8.649117 
1 1 1 8   -2  5  o 406.894 7.5434  22255.88  822.106   22095.29  1162.06   22416.78  1163.20   405.419 10.701  408.368 10.634  -2.948303      15.08673 
1 1 1 8   -2  6  o 155.582 3.1283  3244.05   130.326   3144.14   183.842   3344.99   184.778   153.172 4.4810  157.992 4.3664  -4.819290      6.256625 
1 1 1 8   -2  7  o 98.427  2.3225  1298.46   61.202    1337.19   86.258    1259.19   86.850    99.907  3.2234  96.948  3.3446  2.958641       4.645053 
1 1 1 8   -2  8  o 288.611 5.4241  11177.28  419.242   11397.85  592.718   10956.44  593.076   291.466 7.5923  285.756 7.7487  5.710480       10.84823 
1 1 1 8   -2  9  o 304.776 5.7186  12466.54  466.768   12699.62  659.946   12233.23  660.273   307.632 8.0092  301.919 8.1648  5.713531       11.43723 
1 1 1 8   -2  10 o 131.763 2.8090  2326.48   99.129    2351.60   139.869   2301.13   140.512   132.479 3.9417  131.048 4.0031  1.430511       5.617998 
1 1 1 8   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -2  12 o 241.695 6.4802  7835.45   419.513   7835.45   419.513   0.0000    0.0000    241.695 6.4802  ?       ?       ?              ?        
1 1 1 8   -2  13 o 113.752 3.5519  1733.83   108.218   1733.83   108.218   0.0000    0.0000    113.752 3.5519  ?       ?       ?              ?        
1 1 1 8   -2  14 o 76.738  2.8696  788.984   58.983    788.984   58.983    0.0000    0.0000    76.738  2.8696  ?       ?       ?              ?        
1 1 1 8   -2  15 o 171.263 4.8993  3934.63   224.745   3934.63   224.745   0.0000    0.0000    171.263 4.8993  ?       ?       ?              ?        
1 1 1 8   -2  16 o 179.711 5.0266  4335.23   241.958   0.0000    0.0000    4335.23   241.958   ?       ?       179.711 5.0266  ?              ?        
1 1 1 8   -2  17 o 204.622 5.7235  5629.22   313.692   0.0000    0.0000    5629.22   313.692   ?       ?       204.622 5.7235  ?              ?        
1 1 1 8   -2  18 o 54.645  2.5905  400.293   37.916    0.0000    0.0000    400.293   37.916    ?       ?       54.645  2.5905  ?              ?        
1 1 1 8   -2  19 o 98.518  2.3534  1302.45   62.069    1249.41   87.490    1356.20   88.071    96.495  3.3851  100.540 3.2704  -4.045609      4.706829 
1 1 1 8   -2  20 o 110.390 2.4806  1636.40   73.270    1543.26   103.226   1730.98   104.018   107.217 3.5945  113.564 3.4196  -6.346909      4.961286 
1 1 1 8   -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -2  22 o 89.112  2.2325  1065.84   53.284    1070.02   75.155    1061.62   75.557    89.289  3.1425  88.936  3.1718  0.3528824      4.464957 
1 1 1 8   -2  23 o 72.277  2.0845  700.916   40.324    664.914   56.587    738.060   57.478    70.389  3.0014  74.165  2.8934  -3.776085      4.168953 
1 1 1 8   -2  24 o 102.043 2.4391  1399.12   66.637    1442.19   94.067    1355.74   94.411    103.625 3.3891  100.461 3.5086  3.163811       4.878142 
1 1 1 8   -2  25 o 167.995 3.3944  3804.32   152.737   3820.02   215.890   3788.59   216.115   168.345 4.7879  167.645 4.8129  0.6995697      6.788784 
1 1 1 8   -2  26 o 63.754  1.9703  545.792   33.646    545.250   47.410    546.341   47.756    63.723  2.7777  63.786  2.7952  -0.6269073E-01 3.940665 
1 1 1 8   -2  27 o 72.966  2.0982  715.763   41.003    701.846   57.847    729.816   58.129    72.251  2.9891  73.681  2.9454  -1.429771      4.196476 
1 1 1 8   -2  28 o 107.953 2.5095  1571.85   72.552    1540.54   102.577   1603.19   102.631   106.869 3.5835  109.036 3.5142  -2.166466      5.019044 
1 1 1 8   -2  29 o 77.525  2.2123  802.665   45.712    908.605   68.628    718.179   61.286    82.079  3.1216  72.971  3.1356  9.108536       4.424533 
1 1 1 8   -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -2  31 o 38.844  2.2210  213.142   21.954    171.081   33.881    243.585   28.825    35.282  3.6374  42.406  2.5496  -7.124443      4.441980 
1 1 1 8   -2  32 f 32.225  2.2492  142.064   18.681    144.395   29.975    140.584   23.886    32.358  3.5151  32.092  2.8071  0.2655487      4.498384 
1 1 1 8   -2  33 o 45.322  2.1731  282.847   25.632    271.072   40.232    290.893   33.256    44.412  3.4080  46.232  2.6972  -1.820259      4.346241 
1 1 1 8   -2  34 o 26.182  2.5256  96.640    16.489    92.589    27.185    98.998    20.740    25.565  4.1092  26.800  2.9375  -1.234352      5.051194 
1 1 1 8   -2  35 o 6.7405  2.2259  -10.6753  9.2991    -21.5181  17.463    -6.3837   10.986    7.0557  3.3595  6.4253  2.9211  0.6303267      4.451849 
1 1 1 8   -2  36 o 7.5090  2.3954  -8.6090   9.5265    0.9843    16.913    -13.0668  11.529    9.1590  3.9074  5.8589  2.7721  3.300071       4.790852 
1 1 1 8   -2  37 o 8.8320  2.7055  -0.0916   11.513    -10.0627  20.617    4.4261    13.878    8.8063  4.0028  8.8577  3.6411  -0.5137062E-01 5.411077 
1 1 1 8   -2  38 o 36.636  2.9865  186.899   25.188    215.810   50.380    177.264   29.083    37.762  5.1125  35.510  3.0885  2.251831       5.972977 
1 1 1 8   -2  39 o 38.259  2.5077  206.863   24.576    227.881   40.899    194.984   30.746    39.461  3.9214  37.057  3.1269  2.403843       5.015454 
1 1 1 8   -2  40 o 38.725  2.5247  210.538   25.040    253.872   42.357    187.258   31.046    41.413  3.8632  36.037  3.2514  5.376373       5.049332 
1 1 1 8   -2  41 o 8.7462  2.7587  -2.7361   13.002    -24.1622  25.123    5.1025    15.196    8.4601  4.0286  9.0324  3.7700  -0.5723600     5.517453 
1 1 1 8   -2  42 o 7.1299  2.4245  -16.5844  11.899    -43.1456  26.128    -9.6343   13.365    7.6010  3.7313  6.6589  3.0968  0.9420981      4.849051 
1 1 1 8   -2  43 o 11.596  3.3432  7.8566    15.430    36.246    28.989    -3.3664   18.227    14.681  5.4837  8.5111  3.8260  6.170136       6.686440 
1 1 1 8   -2  44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -1  0  o 287.525 7.6776  11093.26  591.273   11093.26  591.273   0.0000    0.0000    287.525 7.6776  ?       ?       ?              ?        
1 1 1 8   -1  1  f 221.039 5.1162  6456.10   286.624   6259.81   349.889   6856.55   499.758   216.066 6.0458  226.012 8.2554  -9.945496      10.23249 
1 1 1 8   -1  2  o 330.197 6.1762  14639.89  546.174   14370.50  772.318   14909.41  772.494   327.150 8.8137  333.243 8.6546  -6.093109      12.35247 
1 1 1 8   -1  3  o 309.693 5.7977  12873.05  480.924   12842.98  680.026   12903.13  680.234   309.330 8.2076  310.055 8.1909  -0.7248535     11.59545 
1 1 1 8   -1  4  f 155.319 3.1503  3232.97   131.054   3258.34   185.225   3207.53   185.453   155.930 4.4349  154.708 4.4754  1.221298       6.300563 
1 1 1 8   -1  5  o 232.138 4.4415  7226.13   276.156   7174.67   390.294   7277.73   390.794   231.309 6.2995  232.967 6.2627  -1.657303      8.882920 
1 1 1 8   -1  6  o 274.699 5.1698  10123.46  380.364   10245.66  537.799   10001.15  538.033   276.361 7.2653  273.038 7.3569  3.323334       10.33970 
1 1 1 8   -1  7  o 287.353 5.3645  11078.63  412.861   10925.37  583.536   11232.24  584.211   285.360 7.6346  289.346 7.5381  -3.986511      10.72894 
1 1 1 8   -1  8  o 329.635 6.2140  14587.45  548.614   14769.88  775.765   14404.92  775.950   331.702 8.7316  327.569 8.8439  4.133698       12.42797 
1 1 1 8   -1  9  o 184.079 3.6533  4542.06   180.113   4601.34   254.534   4482.61   254.903   185.283 5.1288  182.875 5.2039  2.408356       7.306571 
1 1 1 8   -1  10 o 106.760 3.2912  1606.69   85.531    1740.26   104.320   1332.77   149.392   113.971 3.4173  99.549  5.6258  14.42228       6.582346 
1 1 1 8   -1  11 o 287.529 102.633 4158.40   37640.78  4523.56   53234.27  3793.30   53229.93  287.765 145.249 287.293 145.040 0.4716187      205.2654 
1 1 1 8   -1  12 o 95.023  2.2986  1210.19   58.481    1243.03   82.445    1176.94   82.967    96.322  3.1956  93.725  3.3049  2.596992       4.597202 
1 1 1 8   -1  13 o 351.679 9.2935  16629.27  875.412   16629.27  875.412   0.0000    0.0000    351.679 9.2935  ?       ?       ?              ?        
1 1 1 8   -1  14 o 173.224 4.8989  4024.29   227.297   4024.29   227.297   0.0000    0.0000    173.224 4.8989  ?       ?       ?              ?        
1 1 1 8   -1  15 o 109.858 3.5471  1617.90   104.374   1617.90   104.374   0.0000    0.0000    109.858 3.5471  ?       ?       ?              ?        
1 1 1 8   -1  16 o 235.613 6.3511  7465.49   400.811   0.0000    0.0000    7465.49   400.811   ?       ?       235.613 6.3511  ?              ?        
1 1 1 8   -1  17 o 73.679  2.8513  727.781   56.270    0.0000    0.0000    727.781   56.270    ?       ?       73.679  2.8513  ?              ?        
1 1 1 8   -1  18 o 106.720 3.4648  1528.12   99.042    0.0000    0.0000    1528.12   99.042    ?       ?       106.720 3.4648  ?              ?        
1 1 1 8   -1  19 o 53.096  1.8097  377.959   25.734    370.358   36.239    385.691   36.551    52.557  2.5743  53.634  2.5443  -1.077576      3.619428 
1 1 1 8   -1  20 o 104.332 2.9437  1445.20   77.181    1413.30   93.601    1512.95   136.420   102.613 3.4056  106.052 4.8025  -3.438805      5.887474 
1 1 1 8   -1  21 o 125.917 2.7624  2130.14   93.165    2131.73   131.557   2128.54   131.954   125.965 3.8992  125.869 3.9139  0.9558868E-01  5.524732 
1 1 1 8   -1  22 o 81.212  2.1238  885.193   46.191    900.561   65.159    869.668   65.491    81.923  2.9695  80.502  3.0373  1.421013       4.247670 
1 1 1 8   -1  23 o 111.659 2.5553  1674.89   76.394    1616.67   107.658   1733.94   108.421   109.700 3.6640  113.618 3.5627  -3.918564      5.110505 
1 1 1 8   -1  24 o 161.308 3.3442  3505.40   144.428   3381.39   203.849   3630.40   204.657   158.428 4.8038  164.188 4.6537  -5.759735      6.688329 
1 1 1 8   -1  25 o 103.821 2.4351  1448.72   67.715    1451.68   95.593    1445.75   95.935    103.928 3.4340  103.714 3.4535  0.2145691      4.870201 
1 1 1 8   -1  26 o 121.513 2.7038  1988.40   88.000    1997.89   124.298   1978.86   124.603   121.806 3.8098  121.220 3.8376  0.5863800      5.407614 
1 1 1 8   -1  27 o 50.083  1.9368  338.166   25.870    325.317   36.448    351.212   36.726    49.116  2.7819  51.050  2.6955  -1.933598      3.873564 
1 1 1 8   -1  28 o 64.257  2.0323  555.794   34.976    547.275   49.367    564.380   49.561    63.760  2.8906  64.753  2.8575  -0.9925194     4.064637 
1 1 1 8   -1  29 o 66.934  2.8039  634.729   44.909    672.883   53.912    548.241   81.170    70.652  2.8489  63.216  4.8303  7.436066       5.607878 
1 1 1 8   -1  30 o 84.608  2.2081  968.566   50.035    982.955   70.680    954.111   70.842    85.245  3.0956  83.970  3.1497  1.274750       4.416266 
1 1 1 8   -1  31 o 36.212  1.8947  178.127   18.239    171.519   25.501    185.048   26.099    35.517  2.7008  36.907  2.6579  -1.390400      3.789323 
1 1 1 8   -1  32 o 50.156  1.9285  341.875   25.811    340.818   36.405    342.944   36.600    50.079  2.7243  50.233  2.7304  -0.1547470     3.857079 
1 1 1 8   -1  33 o 14.292  2.9939  31.084    12.728    8.8777    24.849    38.983    14.820    11.998  4.8950  16.586  3.4485  -4.588197      5.987784 
1 1 1 8   -1  34 o 30.179  2.3023  123.338   17.970    140.351   28.963    112.689   22.913    31.788  3.4574  28.569  3.0411  3.218954       4.604531 
1 1 1 8   -1  35 o 32.102  2.3698  139.918   19.467    157.879   32.413    129.784   24.348    33.571  3.6642  30.632  3.0062  2.938288       4.739570 
1 1 1 8   -1  36 o 21.832  2.8823  64.687    15.636    86.402    27.010    53.741    19.176    24.389  4.2914  19.275  3.8491  5.113787       5.764656 
1 1 1 8   -1  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   -1  38 o 26.268  2.9531  103.337   18.859    97.189    32.094    106.580   23.308    25.177  4.9356  27.359  3.2438  -2.182276      5.906152 
1 1 1 8   -1  39 o 17.282  3.3818  46.249    15.307    47.663    28.184    45.657    18.229    17.204  5.4521  17.359  4.0025  -0.1546364     6.763507 
1 1 1 8   -1  40 o 20.849  3.3153  60.390    17.302    101.156   31.447    42.692    20.720    25.277  4.8207  16.421  4.5526  8.855972       6.630643 
1 1 1 8   -1  41 o 10.003  2.6358  6.6550    12.664    -53.9828  26.243    25.065    14.460    7.1923  3.5688  12.813  3.8798  -5.620770      5.271539 
1 1 1 8   -1  42 o 13.034  3.5482  23.793    16.118    23.784    31.942    23.797    18.670    13.497  5.5332  12.571  4.4431  0.9257154      7.096340 
1 1 1 8   -1  43 o 27.962  3.2835  112.934   22.258    182.691   41.294    84.367    26.426    33.236  4.7758  22.688  4.5075  10.54859       6.567024 
1 1 1 8   -1  44 o 16.434  3.8681  50.463    18.737    57.793    35.897    47.718    21.967    16.506  6.1145  16.361  4.7393  0.1448097      7.736195 
1 1 1 8   0   0  o 138.054 2.8674  2554.94   105.957   2666.50   149.916   2443.58   149.776   141.068 3.9676  135.040 4.1409  6.028595       5.734867 
1 1 1 8   0   1  o 333.199 6.2124  14907.31  554.375   15155.96  783.794   14658.39  784.216   335.987 8.7094  330.412 8.8612  5.575592       12.42477 
1 1 1 8   0   2  o 410.787 7.6189  22685.67  838.230   23028.86  1185.85   22342.96  1185.02   413.904 10.697  407.671 10.852  6.232727       15.23780 
1 1 1 8   0   3  o 579.455 10.626  45296.29  1649.22   45694.39  2332.80   44898.49  2331.89   582.019 14.964  576.892 15.091  5.126404       21.25254 
1 1 1 8   0   4  o 468.207 8.6604  29499.42  1086.09   29521.01  1535.97   29477.84  1535.95   468.379 12.243  468.035 12.252  0.3442383      17.32079 
1 1 1 8   0   5  o 313.772 5.8861  13214.01  494.688   13267.18  699.588   13160.84  699.601   314.405 8.3074  313.139 8.3411  1.265228       11.77229 
1 1 1 8   0   6  o 180.666 3.5799  4374.84   173.232   4404.37   244.932   4345.28   245.041   181.276 5.0445  180.055 5.0810  1.221207       7.159796 
1 1 1 8   0   7  o 389.799 7.2367  20414.10  755.558   20310.42  1068.32   20517.85  1068.72   388.806 10.258  390.792 10.210  -1.986328      14.47346 
1 1 1 8   0   8  o 686.077 12.710  63656.37  2335.61   63569.91  3302.91   63742.84  3303.20   685.606 17.986  686.547 17.963  -0.9404297     25.41967 
1 1 1 8   0   9  o 142.375 2.9239  2716.25   111.499   2741.00   157.566   2691.43   157.801   143.025 4.1130  141.725 4.1570  1.300034       5.847854 
1 1 1 8   0   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   0   11 o 331.698 6.2192  14776.14  552.544   14735.01  781.201   14817.31  781.631   331.235 8.8052  332.161 8.7854  -0.9258728     12.43844 
1 1 1 8   0   12 o 191.988 3.7679  4944.52   193.624   5155.74   273.802   4733.23   273.850   196.096 5.2129  187.879 5.4418  8.216415       7.535773 
1 1 1 8   0   13 o 254.919 6.8226  8724.07   465.844   8724.07   465.844   0.0000    0.0000    254.919 6.8226  ?       ?       ?              ?        
1 1 1 8   0   14 o 264.811 7.0957  9424.00   503.292   9424.00   503.292   0.0000    0.0000    264.811 7.0957  ?       ?       ?              ?        
1 1 1 8   0   15 o 199.864 5.5593  5364.78   297.605   5364.78   297.605   0.0000    0.0000    199.864 5.5593  ?       ?       ?              ?        
1 1 1 8   0   16 o 15.412  2.7959  32.831    11.117    0.0000    0.0000    32.831    11.117    ?       ?       15.412  2.7959  ?              ?        
1 1 1 8   0   17 o 279.813 7.5231  10570.01  563.839   0.0000    0.0000    10570.01  563.839   ?       ?       279.813 7.5231  ?              ?        
1 1 1 8   0   18 o 112.146 3.6366  1687.99   109.237   0.0000    0.0000    1687.99   109.237   ?       ?       112.146 3.6366  ?              ?        
1 1 1 8   0   19 f 138.393 2.8997  2574.34   107.361   2423.70   151.465   2726.45   152.200   134.310 4.2103  142.475 3.9883  -8.165329      5.799415 
1 1 1 8   0   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   0   21 o 173.388 3.4622  4046.82   160.782   4089.44   227.205   4004.08   227.555   174.308 4.8664  172.469 4.9259  1.839310       6.924375 
1 1 1 8   0   22 o 101.961 2.4100  1395.89   65.816    1401.52   92.832    1390.20   93.325    102.169 3.3923  101.753 3.4242  0.4157486      4.820024 
1 1 1 8   0   23 o 96.722  2.3400  1256.09   60.617    1235.19   85.427    1277.29   86.029    95.910  3.3254  97.533  3.2931  -1.623230      4.680008 
1 1 1 8   0   24 o 31.167  1.9228  131.413   15.873    124.773   22.428    138.075   22.467    30.364  2.7889  31.969  2.6476  -1.605730      3.845507 
1 1 1 8   0   25 o 128.543 2.7317  2224.10   94.021    2152.58   132.686   2296.22   133.248   126.458 3.9173  130.627 3.8084  -4.169159      5.463434 
1 1 1 8   0   26 o 55.440  1.9563  414.101   28.854    365.355   40.418    464.757   41.203    52.057  2.9104  58.824  2.6151  -6.766998      3.912689 
1 1 1 8   0   27 o 133.549 2.9034  2410.37   103.855   2408.06   146.699   2412.69   147.048   133.486 4.1030  133.612 4.1089  -0.1263275     5.806702 
1 1 1 8   0   28 o 54.505  1.9359  400.444   28.205    388.072   39.692    413.062   40.086    53.616  2.7734  55.395  2.7017  -1.779690      3.871795 
1 1 1 8   0   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   0   30 o 45.847  1.9080  284.767   23.317    273.856   32.701    296.052   33.257    44.945  2.7293  46.749  2.6670  -1.804482      3.816070 
1 1 1 8   0   31 o 39.182  1.9166  208.699   19.988    206.697   28.014    210.775   28.528    38.992  2.6990  39.371  2.7219  -0.3794365     3.833192 
1 1 1 8   0   32 o 60.390  1.9957  495.018   32.279    487.322   45.560    502.773   45.738    59.914  2.8390  60.866  2.8055  -0.9520531     3.991349 
1 1 1 8   0   33 o 26.164  2.1965  96.057    14.661    118.838   20.712    73.176    20.757    29.471  2.6522  22.857  3.5021  6.613714       4.393064 
1 1 1 8   0   34 o 58.199  2.0537  463.394   31.933    480.624   45.046    445.987   45.275    59.351  2.8336  57.047  2.9733  2.303959       4.107310 
1 1 1 8   0   35 o 30.027  2.1259  124.823   16.830    114.510   23.381    135.911   24.243    28.701  3.0902  31.352  2.9205  -2.650948      4.251859 
1 1 1 8   0   36 f 22.302  2.4707  71.053    14.157    59.950    19.802    82.660    20.246    20.377  3.7669  24.228  3.1980  -3.851267      4.941354 
1 1 1 8   0   37 o 21.815  3.1024  68.015    16.835    81.890    28.871    60.867    20.722    23.270  4.7915  20.361  3.9423  2.909922       6.204874 
1 1 1 8   0   38 o 26.756  3.1274  112.530   20.057    91.188    33.615    124.328   24.993    23.980  5.3674  29.532  3.2113  -5.552540      6.254759 
1 1 1 8   0   39 o 14.956  3.2415  37.134    15.281    12.078    28.693    47.056    18.055    12.292  5.1590  17.620  3.9260  -5.328829      6.482918 
1 1 1 8   0   40 o 14.635  3.5600  31.873    15.731    38.123    29.471    29.383    18.602    15.466  5.5698  13.805  4.4352  1.660720       7.119978 
1 1 1 8   0   41 o 9.5215  2.9804  -5.0989   13.780    13.293    25.565    -12.6307  16.360    11.799  4.9045  7.2438  3.3879  4.555571       5.960828 
1 1 1 8   0   42 o 26.030  3.6347  122.836   22.086    91.233    40.566    136.151   26.330    21.732  6.4800  30.328  3.2943  -8.596081      7.269332 
1 1 1 8   0   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   1   0  o 451.681 8.2589  27443.13  999.144   27690.06  1412.86   27196.10  1413.15   453.722 11.626  449.639 11.734  4.083313       16.51777 
1 1 1 8   1   1  o 387.939 7.1923  20222.13  747.322   20022.61  1056.25   20422.12  1057.49   386.017 10.216  389.860 10.127  -3.843292      14.38465 
1 1 1 8   1   2  o 388.008 7.1420  20228.19  742.230   20046.25  1049.64   20410.16  1049.71   386.257 10.145  389.759 10.055  -3.501465      14.28407 
1 1 1 8   1   3  o 22.031  1.5245  65.718    8.8663    62.130    12.593    69.245    12.486    21.421  2.2273  22.641  2.0822  -1.220018      3.048968 
1 1 1 8   1   4  o 104.757 2.3591  1470.39   66.173    1514.34   93.720    1426.69   93.447    106.319 3.2911  103.195 3.3808  3.123466       4.718128 
1 1 1 8   1   5  o 338.415 6.2976  15374.93  570.842   15356.01  807.269   15393.85  807.315   338.207 8.9114  338.624 8.9009  -0.4174805     12.59525 
1 1 1 8   1   6  o 485.366 8.9492  31704.90  1163.28   32298.97  1645.56   31111.44  1644.71   489.933 12.540  480.799 12.771  9.133331       17.89836 
1 1 1 8   1   7  o 513.878 9.4506  35557.90  1300.59   36306.48  1839.84   34810.18  1838.78   519.313 13.227  508.443 13.502  10.86942       18.90127 
1 1 1 8   1   8  o 692.986 12.769  64953.34  2370.02   65372.29  3351.96   64534.52  3351.48   695.242 18.000  690.729 18.115  4.512573       25.53738 
1 1 1 8   1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   1   10 o 300.544 5.6636  12128.29  455.635   11620.95  643.811   12637.39  644.921   294.231 8.1692  306.856 7.8466  -12.62543      11.32721 
1 1 1 8   1   11 o 171.780 3.4808  3955.69   160.155   3946.07   226.371   3965.32   226.617   171.571 4.9259  171.990 4.9193  -0.4181824     6.961607 
1 1 1 8   1   12 o 340.486 6.3588  15589.01  579.750   16016.15  820.060   15162.23  819.719   345.167 8.8701  335.804 9.1136  9.362732       12.71755 
1 1 1 8   1   13 f 200.296 5.5635  5383.25   298.474   5383.25   298.474   0.0000    0.0000    200.296 5.5635  ?       ?       ?              ?        
1 1 1 8   1   14 o 251.874 6.7397  8528.02   454.684   8528.02   454.684   0.0000    0.0000    251.874 6.7397  ?       ?       ?              ?        
1 1 1 8   1   15 o 182.089 5.1688  4453.15   252.092   4453.15   252.092   0.0000    0.0000    182.089 5.1688  ?       ?       ?              ?        
1 1 1 8   1   16 o 357.211 9.5658  17294.13  915.244   0.0000    0.0000    17294.13  915.244   ?       ?       357.211 9.5658  ?              ?        
1 1 1 8   1   17 o 255.177 6.9830  8786.33   477.279   0.0000    0.0000    8786.33   477.279   ?       ?       255.177 6.9830  ?              ?        
1 1 1 8   1   18 o 127.996 3.9474  2199.98   135.331   0.0000    0.0000    2199.98   135.331   ?       ?       127.996 3.9474  ?              ?        
1 1 1 8   1   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   1   20 o 189.835 3.7418  4853.83   190.250   4897.54   268.942   4810.04   269.168   190.695 5.2654  188.974 5.3178  1.721710       7.483522 
1 1 1 8   1   21 o 155.956 3.2670  3272.35   136.463   3306.94   192.784   3237.61   193.192   156.787 4.5906  155.126 4.6496  1.661041       6.533962 
1 1 1 8   1   22 o 53.252  1.8792  380.781   26.753    370.820   37.543    391.058   38.133    52.509  2.6782  53.995  2.6367  -1.485149      3.758340 
1 1 1 8   1   23 o 185.596 3.7733  4646.42   187.568   4595.75   265.019   4697.27   265.504   184.576 5.3606  186.616 5.3117  -2.039688      7.546545 
1 1 1 8   1   24 o 116.268 2.6188  1818.11   81.524    1755.54   115.033   1881.24   115.553   114.251 3.7590  118.285 3.6472  -4.033951      5.237615 
1 1 1 8   1   25 f 178.005 3.5873  4285.02   171.023   4347.68   241.754   4222.23   241.973   179.322 5.0333  176.689 5.1129  2.632797       7.174655 
1 1 1 8   1   26 o 64.385  2.0165  557.340   34.775    551.558   49.092    563.164   49.267    64.049  2.8616  64.721  2.8420  -0.6721191     4.033051 
1 1 1 8   1   27 o 71.674  2.1142  691.936   40.577    707.271   57.265    676.472   57.506    72.477  2.9498  70.871  3.0294  1.605942       4.228331 
1 1 1 8   1   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   1   29 o 24.145  2.1013  80.324    13.164    92.307    18.670    68.476    18.565    26.016  2.7195  22.273  3.2040  3.742231       4.202561 
1 1 1 8   1   30 o 83.303  2.2591  941.604   50.399    919.708   71.010    963.831   71.544    82.318  3.2206  84.287  3.1690  -1.969254      4.518273 
1 1 1 8   1   31 f 72.274  2.1358  709.390   41.336    687.121   58.117    732.188   58.803    71.116  3.0511  73.432  2.9897  -2.316002      4.271688 
1 1 1 8   1   32 o 10.719  2.5391  13.982    9.0961    21.805    12.643    5.5890    13.096    12.470  3.5907  8.9668  3.5911  3.503539       5.078251 
1 1 1 8   1   33 o 40.627  1.9730  225.881   21.304    211.198   30.071    240.676   30.185    39.268  2.8791  41.987  2.6983  -2.718662      3.945937 
1 1 1 8   1   34 o 43.933  2.0320  264.922   23.758    250.534   33.309    279.822   33.897    42.693  2.9306  45.173  2.8155  -2.480652      4.063963 
1 1 1 8   1   35 o 23.127  2.5581  77.831    14.567    46.482    20.156    112.115   21.078    17.794  4.2811  28.460  2.8014  -10.66617      5.116191 
1 1 1 8   1   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   1   37 f 50.272  2.0945  353.364   28.063    338.337   39.357    368.905   40.025    49.151  3.0039  51.392  2.9198  -2.240566      4.189094 
1 1 1 8   1   38 o 37.294  2.1514  197.189   21.292    197.859   29.684    196.480   30.557    37.395  2.9886  37.192  3.0955  0.2025871      4.302779 
1 1 1 8   1   39 o 13.420  2.7341  26.932    11.811    42.888    15.927    7.4371    17.605    16.910  3.6253  9.9305  4.0937  6.979657       5.468187 
1 1 1 8   1   40 o 9.6385  3.0058  -4.6912   12.683    16.121    27.019    -10.5733  14.364    12.381  5.0839  6.8959  3.2082  5.485294       6.011555 
1 1 1 8   1   41 o 18.129  3.6712  57.216    18.414    47.789    33.724    61.220    21.979    16.571  5.9593  19.688  4.2894  -3.116344      7.342443 
1 1 1 8   1   42 o 8.5036  2.8308  -11.2939  14.679    -22.6687  29.830    -7.6592   16.862    9.2564  4.4027  7.7507  3.5594  1.505765       5.661539 
1 1 1 8   1   43 o 9.1569  2.9661  -2.4483   15.103    -12.2751  29.721    0.9727    17.536    9.6343  4.5251  8.6794  3.8359  0.9548721      5.932156 
1 1 1 8   2   0  o 221.591 4.2534  6583.48   252.443   6521.36   356.573   6645.91   357.444   220.542 6.0363  222.640 5.9940  -2.097855      8.506734 
1 1 1 8   2   1  o 375.427 6.9525  18936.58  698.928   19458.82  988.400   18414.27  988.467   380.621 9.6951  370.233 9.9678  10.38760       13.90506 
1 1 1 8   2   2  o 204.725 3.9586  5621.13   216.907   5879.83   306.974   5363.17   306.532   209.436 5.4722  200.015 5.7217  9.421783       7.917231 
1 1 1 8   2   3  o 824.037 15.209  92226.84  3356.53   90628.98  4745.80   93826.10  4747.91   816.797 21.692  831.278 21.324  -14.47998      30.41820 
1 1 1 8   2   4  o 308.539 5.7221  12775.86  472.788   12480.45  668.581   13071.33  668.664   304.964 8.1850  312.113 7.9985  -7.149872      11.44417 
1 1 1 8   2   5  o 460.701 8.5267  28553.91  1051.78   29473.11  1488.25   27636.72  1486.63   468.141 11.869  453.261 12.245  14.87958       17.05331 
1 1 1 8   2   6  o 191.941 3.7524  4938.08   192.916   4947.72   272.809   4928.43   272.840   192.129 5.3012  191.754 5.3122  0.3753052      7.504832 
1 1 1 8   2   7  o 125.485 2.6568  2109.78   89.292    2083.32   126.195   2136.30   126.362   124.697 3.7783  126.273 3.7361  -1.576187      5.313557 
1 1 1 8   2   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   2   9  f 596.337 10.979  48016.64  1753.63   47418.45  2479.46   48615.34  2480.55   592.592 15.621  600.083 15.433  -7.491211      21.95895 
1 1 1 8   2   10 o 90.949  2.2048  1108.43   53.695    1136.80   75.847    1079.93   76.027    92.116  3.0741  89.781  3.1615  2.334328       4.409659 
1 1 1 8   2   11 o 144.907 3.0268  2814.64   117.465   2760.65   165.935   2868.88   166.307   143.513 4.3167  146.301 4.2440  -2.788040      6.053580 
1 1 1 8   2   12 o 125.923 2.7078  2125.40   91.330    2126.34   129.024   2124.46   129.297   125.951 3.8246  125.895 3.8343  0.5592346E-01  5.415663 
1 1 1 8   2   13 o 313.981 8.3775  13273.85  704.544   13273.85  704.544   0.0000    0.0000    313.981 8.3775  ?       ?       ?              ?        
1 1 1 8   2   14 o 166.616 4.7414  3726.18   211.596   3726.18   211.596   0.0000    0.0000    166.616 4.7414  ?       ?       ?              ?        
1 1 1 8   2   15 o 169.608 4.8391  3863.74   219.835   3863.74   219.835   0.0000    0.0000    169.608 4.8391  ?       ?       ?              ?        
1 1 1 8   2   16 o 105.301 3.4798  1487.62   98.147    0.0000    0.0000    1487.62   98.147    ?       ?       105.301 3.4798  ?              ?        
1 1 1 8   2   17 o 211.346 5.8458  6015.77   330.924   0.0000    0.0000    6015.77   330.924   ?       ?       211.346 5.8458  ?              ?        
1 1 1 8   2   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   2   19 o ?       ?       230.419   22145.80  210.387   38359.96  240.433   27122.13  ?       ?       ?       ?       ?              ?        
1 1 1 8   2   20 o 120.971 2.6616  1965.65   86.222    1912.60   121.619   2019.26   122.256   119.326 3.8052  122.616 3.7225  -3.289734      5.323212 
1 1 1 8   2   21 o 126.370 2.7461  2145.67   92.948    2147.74   131.192   2143.60   131.707   126.432 3.8740  126.308 3.8930  0.1239166      5.492159 
1 1 1 8   2   22 o 30.256  1.9356  124.007   15.485    131.414   21.787    116.445   22.013    31.189  2.6327  29.323  2.8382  1.866175       3.871239 
1 1 1 8   2   23 o 66.457  2.0073  592.958   35.720    607.897   50.406    577.888   50.626    67.300  2.7962  65.614  2.8807  1.686516       4.014610 
1 1 1 8   2   24 o 165.390 3.4070  3692.48   150.922   3733.06   213.281   3651.78   213.590   166.309 4.7879  164.472 4.8484  1.836761       6.814080 
1 1 1 8   2   25 o 28.698  2.0727  112.181   15.624    124.264   22.097    100.101   22.094    30.287  2.7539  27.109  3.0984  3.178646       4.145390 
1 1 1 8   2   26 o 103.850 2.4614  1454.15   68.445    1408.56   96.551    1500.20   97.042    102.204 3.5270  105.495 3.4343  -3.291061      4.922791 
1 1 1 8   2   27 o 11.732  2.5820  17.864    9.3718    25.625    13.237    10.064    13.271    13.532  3.5921  9.9317  3.7101  3.600769       5.164075 
1 1 1 8   2   28 o 50.049  1.9431  338.932   25.938    347.800   36.555    329.940   36.811    50.719  2.7006  49.379  2.7946  1.339706       3.886263 
1 1 1 8   2   29 o 78.117  2.1887  826.845   45.765    858.818   64.612    794.655   64.831    79.652  3.0285  76.582  3.1606  3.069534       4.377362 
1 1 1 8   2   30 o 19.866  2.2650  55.015    11.597    48.818    16.298    61.372    16.505    18.665  3.3846  21.067  3.0107  -2.401979      4.529925 
1 1 1 8   2   31 o 51.517  1.9766  361.258   27.150    376.438   38.348    346.002   38.444    52.624  2.7301  50.409  2.8590  2.214436       3.953116 
1 1 1 8   2   32 o 30.824  2.0576  130.793   16.682    146.607   23.664    115.171   23.520    32.743  2.7228  28.905  3.0856  3.838861       4.115207 
1 1 1 8   2   33 o 30.647  2.1003  129.582   17.007    132.840   23.742    126.149   24.373    31.071  2.8858  30.223  3.0526  0.8474960      4.200683 
1 1 1 8   2   34 o 45.532  2.0302  285.146   24.632    287.515   34.750    282.754   34.921    45.731  2.8511  45.333  2.8910  0.3980637      4.060415 
1 1 1 8   2   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   2   36 o 13.337  2.8896  25.073    11.917    13.803    16.887    36.254    16.821    11.033  4.1719  15.641  3.9993  -4.608040      5.779198 
1 1 1 8   2   37 o 8.7144  2.6155  2.1042    10.619    0.4407    14.650    3.9460    15.415    8.3676  3.6045  9.0612  3.7909  -0.6935911     5.230981 
1 1 1 8   2   38 o 25.459  2.4311  94.325    16.152    95.175    22.722    93.457    22.963    25.599  3.3979  25.319  3.4780  0.2803516      4.862286 
1 1 1 8   2   39 o 13.347  3.0126  26.321    12.794    37.470    17.996    14.928    18.192    15.530  4.2173  11.163  4.3032  4.367280       6.025241 
1 1 1 8   2   40 o 17.858  3.0366  50.001    14.600    36.646    20.183    64.659    21.146    15.173  4.5814  20.543  3.9868  -5.369967      6.073221 
1 1 1 8   2   41 o 13.983  2.8855  26.464    13.440    3.7502    18.043    54.768    20.142    9.3524  4.0140  18.614  4.1462  -9.261440      5.770903 
1 1 1 8   2   42 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   3   0  o 548.018 10.045  40470.54  1474.23   41167.13  2084.92   39774.00  2084.84   552.764 14.082  543.273 14.327  9.490845       20.08910 
1 1 1 8   3   1  o 350.355 6.5211  16483.43  611.822   16868.17  865.135   16098.50  865.358   354.456 9.1124  346.254 9.3307  8.201965       13.04212 
1 1 1 8   3   2  o 405.539 7.4660  22098.62  810.975   22054.80  1146.78   22142.46  1147.01   405.135 10.568  405.942 10.549  -0.8067322     14.93196 
1 1 1 8   3   3  o 359.746 6.6459  17377.40  640.375   17310.03  905.781   17444.73  905.474   359.047 9.4185  360.445 9.3788  -1.398315      13.29176 
1 1 1 8   3   4  o 324.536 6.0490  14138.84  525.623   13689.16  743.138   14589.02  743.550   319.361 8.6876  329.712 8.4195  -10.35153      12.09802 
1 1 1 8   3   5  o 198.788 3.8539  5297.56   205.156   5171.71   290.149   5423.37   290.121   196.424 5.5149  201.151 5.3848  -4.726440      7.707773 
1 1 1 8   3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   3   7  o 408.303 10.763  22493.06  1176.64   21857.06  1665.49   23126.80  1662.54   402.495 15.449  414.111 14.989  -11.61548      21.52504 
1 1 1 8   3   8  o 73.323  1.9535  720.218   38.364    726.756   54.239    713.673   54.271    73.656  2.7493  72.990  2.7759  0.6661835      3.906964 
1 1 1 8   3   9  o 302.411 5.6885  12278.17  460.741   12445.37  651.628   12111.03  651.545   304.474 7.9902  300.347 8.0990  4.127563       11.37708 
1 1 1 8   3   10 o 81.841  2.0595  897.399   45.143    908.288   63.818    886.493   63.865    82.338  2.8937  81.344  2.9312  0.9942627      4.118915 
1 1 1 8   3   11 o 262.216 4.9623  9234.04   348.523   9226.90   492.766   9241.20   493.005   262.114 7.0188  262.318 7.0167  -0.2031555     9.924601 
1 1 1 8   3   12 o 402.619 7.4425  21887.42  802.564   22148.76  1135.04   21626.11  1134.96   405.042 10.462  400.196 10.588  4.846344       14.88503 
1 1 1 8   3   13 o 138.362 4.1451  2568.05   153.616   2568.05   153.616   0.0000    0.0000    138.362 4.1451  ?       ?       ?              ?        
1 1 1 8   3   14 o 99.459  3.2626  1326.47   86.917    1326.47   86.917    0.0000    0.0000    99.459  3.2626  ?       ?       ?              ?        
1 1 1 8   3   15 o 98.355  3.2708  1297.49   86.167    1297.49   86.167    0.0000    0.0000    98.355  3.2708  ?       ?       ?              ?        
1 1 1 8   3   16 o 24.279  2.5415  79.888    16.283    0.0000    0.0000    79.888    16.283    ?       ?       24.279  2.5415  ?              ?        
1 1 1 8   3   17 o 19.699  4.2382  54.134    21.699    0.0000    0.0000    54.134    21.699    ?       ?       19.699  4.2382  ?              ?        
1 1 1 8   3   18 o 138.420 4.1477  2574.35   153.777   0.0000    0.0000    2574.35   153.777   ?       ?       138.420 4.1477  ?              ?        
1 1 1 8   3   19 o 57.796  1.9138  448.420   29.589    473.306   41.789    423.399   41.902    59.408  2.6262  56.183  2.7845  3.224136       3.827575 
1 1 1 8   3   20 o 129.076 2.8130  2238.73   97.252    2251.32   137.263   2226.03   137.808   129.443 3.9590  128.710 3.9974  0.7332611      5.626070 
1 1 1 8   3   21 o 81.753  2.1853  897.069   47.851    901.359   67.449    892.723   67.896    81.951  3.0728  81.556  3.1081  0.3955612      4.370638 
1 1 1 8   3   22 o 117.839 2.6564  1866.53   83.841    1875.15   118.332   1857.84   118.807   118.115 3.7403  117.564 3.7729  0.5500488      5.312724 
1 1 1 8   3   23 o 144.493 3.0956  2812.90   119.803   2818.54   169.182   2807.22   169.673   144.640 4.3669  144.345 4.3886  0.2949524      6.191105 
1 1 1 8   3   24 o 102.709 2.4662  1419.64   67.832    1381.99   95.608    1457.80   96.252    101.333 3.5225  104.085 3.4525  -2.752205      4.932316 
1 1 1 8   3   25 o 18.311  2.5418  46.740    12.019    46.456    16.800    47.038    17.202    18.257  3.5633  18.365  3.6258  -0.1075611     5.083651 
1 1 1 8   3   26 o 106.439 2.5252  1529.95   71.983    1550.11   101.600   1509.63   102.002   107.150 3.5401  105.727 3.6019  1.423325       5.050314 
1 1 1 8   3   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   3   28 o 42.733  1.9435  247.733   22.108    255.925   31.028    239.286   31.508    43.467  2.6780  41.999  2.8171  1.467937       3.886923 
1 1 1 8   3   29 o 25.186  2.0504  87.003    13.561    81.810    19.055    92.332    19.302    24.399  2.9775  25.973  2.8198  -1.574268      4.100852 
1 1 1 8   3   30 o 62.712  2.0645  534.299   34.626    565.032   48.808    503.158   49.131    64.556  2.8227  60.867  3.0136  3.689072       4.129083 
1 1 1 8   3   31 o 20.754  2.2684  59.994    12.198    62.429    17.519    57.703    16.994    21.176  3.1875  20.332  3.2285  0.8441772      4.536839 
1 1 1 8   3   32 o 21.880  2.3867  66.987    13.375    53.808    18.401    81.748    19.474    19.475  3.6620  24.286  3.0618  -4.811100      4.773331 
1 1 1 8   3   33 o 32.302  2.0998  144.133   17.945    148.121   25.083    139.951   25.683    32.790  2.8853  31.813  3.0515  0.9766464      4.199614 
1 1 1 8   3   34 o 39.545  2.0633  216.360   21.667    227.216   30.454    205.232   30.833    40.597  2.8182  38.494  3.0145  2.102890       4.126676 
1 1 1 8   3   35 o 28.708  2.2975  116.364   17.227    131.321   24.515    101.773   24.213    30.647  3.0260  26.769  3.4578  3.877556       4.594921 
1 1 1 8   3   36 o 10.093  2.6122  8.9320    10.392    22.321    14.492    -5.2423   14.910    12.448  3.9050  7.7377  3.4707  4.710202       5.224378 
1 1 1 8   3   37 o 19.982  2.7980  59.504    14.429    49.478    19.820    70.812    21.048    18.041  4.1829  21.923  3.7173  -3.881357      5.595964 
1 1 1 8   3   38 o 36.112  2.2254  186.650   21.301    181.862   29.581    191.806   30.699    35.641  3.1304  36.583  3.1640  -0.9420242     4.450895 
1 1 1 8   3   39 o 12.461  3.0097  22.704    12.211    17.976    17.727    26.973    16.845    11.612  4.2978  13.310  4.2146  -1.697672      6.019459 
1 1 1 8   3   40 o 29.903  2.4769  132.682   19.366    119.735   27.270    145.855   27.506    28.262  3.6904  31.545  3.3045  -3.282152      4.953711 
1 1 1 8   3   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   4   0  o 149.392 3.0718  2990.49   122.910   2956.11   173.370   3025.23   174.277   148.529 4.3579  150.255 4.3303  -1.726730      6.143518 
1 1 1 8   4   1  o 284.077 5.3341  10825.73  405.852   10692.13  573.488   10959.78  574.437   282.318 7.5840  285.835 7.5031  -3.516876      10.66828 
1 1 1 8   4   2  o 310.307 5.8014  12927.77  481.759   13562.48  681.661   12294.36  680.961   317.936 8.0046  302.679 8.3995  15.25671       11.60279 
1 1 1 8   4   3  o 374.141 6.9250  18799.79  693.890   19146.75  981.705   18453.38  980.913   377.600 9.7064  370.682 9.8796  6.918121       13.84997 
1 1 1 8   4   4  o 418.475 7.7509  23540.08  868.455   22786.71  1227.75   24294.51  1228.61   411.749 11.132  425.200 10.788  -13.45087      15.50182 
1 1 1 8   4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   4   6  o 129.385 2.7317  2243.86   94.599    2348.71   134.009   2139.71   133.558   132.400 3.7788  126.369 3.9458  6.030807       5.463433 
1 1 1 8   4   7  o 359.796 6.6824  17389.52  643.982   17288.55  910.734   17490.49  910.721   358.748 9.4779  360.844 9.4227  -2.095551      13.36483 
1 1 1 8   4   8  o 340.033 6.3254  15531.90  576.096   15530.31  814.729   15533.48  814.716   340.015 8.9459  340.050 8.9449  -0.3479004E-01 12.65072 
1 1 1 8   4   9  o 182.006 3.6222  4442.05   176.553   4346.44   249.516   4537.93   249.852   180.042 5.1741  183.970 5.0705  -3.927811      7.244385 
1 1 1 8   4   10 o 322.635 5.9809  13998.94  516.775   14275.26  730.913   13722.76  730.747   325.832 8.3750  319.439 8.5406  6.393097       11.96171 
1 1 1 8   4   11 o 247.016 4.7455  8202.36   313.741   8571.60   443.912   7833.82   443.482   252.591 6.5613  241.441 6.8577  11.15016       9.490961 
1 1 1 8   4   12 f 65.974  1.9314  583.357   34.125    570.242   48.175    596.565   48.345    65.230  2.7573  66.719  2.7053  -1.489441      3.862833 
1 1 1 8   4   13 o 139.296 4.1597  2603.80   155.199   2603.80   155.199   0.0000    0.0000    139.296 4.1597  ?       ?       ?              ?        
1 1 1 8   4   14 o 231.421 6.3791  7212.43   395.415   7212.43   395.415   0.0000    0.0000    231.421 6.3791  ?       ?       ?              ?        
1 1 1 8   4   15 o 146.659 4.3391  2888.98   170.452   2888.98   170.452   0.0000    0.0000    146.659 4.3391  ?       ?       ?              ?        
1 1 1 8   4   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   4   17 o 120.432 3.7821  1947.54   122.001   0.0000    0.0000    1947.54   122.001   ?       ?       120.432 3.7821  ?              ?        
1 1 1 8   4   18 o 136.600 4.1340  2507.29   151.256   0.0000    0.0000    2507.29   151.256   ?       ?       136.600 4.1340  ?              ?        
1 1 1 8   4   19 o 152.779 3.1966  3139.52   130.755   3027.32   184.549   3252.62   185.283   150.028 4.5925  155.531 4.4476  -5.503128      6.393174 
1 1 1 8   4   20 o 152.846 3.1891  3142.80   130.549   3180.40   184.377   3105.00   184.873   153.768 4.4766  151.924 4.5432  1.843567       6.378134 
1 1 1 8   4   21 o 227.889 4.4374  7022.90   270.829   6902.82   382.631   7143.47   383.390   225.920 6.3232  229.858 6.2272  -3.938110      8.874716 
1 1 1 8   4   22 o 151.154 3.1562  3077.89   127.778   3103.60   180.487   3052.06   180.923   151.792 4.4392  150.517 4.4877  1.275345       6.312365 
1 1 1 8   4   23 o 17.618  2.4703  43.721    11.238    59.655    16.129    28.687    15.666    20.864  2.9699  14.372  3.9483  6.491824       4.940588 
1 1 1 8   4   24 o 57.175  1.9638  439.381   30.071    440.292   42.280    438.449   42.777    57.236  2.7579  57.113  2.7963  0.1227150      3.927531 
1 1 1 8   4   25 o 22.551  2.1209  69.667    12.483    69.865    17.333    69.455    17.993    22.596  2.9330  22.506  3.0644  0.8951187E-01  4.241826 
1 1 1 8   4   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   4   27 o 9.2298  2.4339  7.9705    8.2208    13.128    12.108    3.5601    11.197    10.352  3.5837  8.1078  3.2944  2.243986       4.867843 
1 1 1 8   4   28 o 63.698  2.0582  548.953   35.112    537.021   49.365    561.169   49.951    62.994  2.9257  64.402  2.8957  -1.407558      4.116431 
1 1 1 8   4   29 o 53.603  1.9668  390.057   28.139    382.675   39.484    397.675   40.111    53.085  2.7867  54.121  2.7764  -1.035954      3.933695 
1 1 1 8   4   30 o 28.457  2.0459  111.047   15.372    107.406   21.616    114.773   21.865    27.973  2.9284  28.942  2.8579  -0.9690380     4.091819 
1 1 1 8   4   31 o 41.384  2.0197  234.053   22.216    217.797   31.105    250.982   31.741    39.888  2.9319  42.880  2.7786  -2.991203      4.039386 
1 1 1 8   4   32 o 60.064  2.1028  493.668   33.766    479.400   47.315    508.476   48.201    59.135  2.9970  60.994  2.9504  -1.859097      4.205605 
1 1 1 8   4   33 o 42.788  2.0681  252.319   23.557    253.216   33.117    251.400   33.518    42.875  2.9008  42.701  2.9486  0.1741791      4.136284 
1 1 1 8   4   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   4   35 o 32.826  2.1651  151.270   18.810    147.621   26.625    154.907   26.579    32.406  3.1054  33.245  3.0177  -0.8392754     4.330140 
1 1 1 8   4   36 o 31.708  2.2518  143.209   18.644    119.835   26.031    167.831   26.717    28.877  3.4328  34.539  2.9152  -5.661854      4.503563 
1 1 1 8   4   37 o 15.169  2.9995  35.298    12.662    36.417    17.395    34.037    18.466    15.441  4.1269  14.897  4.3538  0.5440788      5.998906 
1 1 1 8   4   38 o 9.3369  2.7250  5.9423    11.131    9.1932    14.962    1.9124    16.658    9.7053  3.8542  8.9686  3.8532  0.7367363      5.450000 
1 1 1 8   4   39 o 13.208  3.0289  24.872    13.379    40.581    18.953    9.2700    18.888    16.055  4.3147  10.360  4.2519  5.695415       6.057725 
1 1 1 8   4   40 o 22.565  2.8692  79.242    16.633    67.201    23.171    92.041    23.889    20.530  4.3491  24.600  3.7436  -4.069794      5.738414 
1 1 1 8   4   41 o 18.433  3.0976  56.100    15.127    47.557    20.770    65.751    22.076    16.782  4.5196  20.083  4.2373  -3.300575      6.195264 
1 1 1 8   5   0  o 100.771 2.3135  1360.73   62.430    1387.39   87.960    1333.67   88.622    101.767 3.2270  99.776  3.3161  1.990181       4.627065 
1 1 1 8   5   1  o 557.875 10.270  41935.60  1534.19   43003.17  2170.09   40868.87  2169.24   565.016 14.339  550.734 14.705  14.28198       20.53934 
1 1 1 8   5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   5   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   5   4  o 713.907 13.033  68955.88  2492.16   68660.58  3524.50   69251.16  3524.38   712.362 18.472  715.451 18.391  -3.088806      26.06620 
1 1 1 8   5   5  o 310.926 5.8580  12975.63  487.853   13073.46  690.219   12877.95  689.639   312.099 8.2567  309.752 8.3122  2.347076       11.71605 
1 1 1 8   5   6  o 292.197 5.4961  11458.48  430.153   11440.75  608.455   11476.19  608.201   291.971 7.7804  292.424 7.7651  -0.4530640     10.99228 
1 1 1 8   5   7  o 379.394 7.0943  19355.24  720.835   18996.63  1019.28   19714.04  1019.55   375.864 10.124  382.923 9.9405  -7.059326      14.18869 
1 1 1 8   5   8  o 384.592 7.1444  19904.19  735.960   19829.33  1040.83   19979.03  1040.78   383.866 10.123  385.319 10.084  -1.453308      14.28883 
1 1 1 8   5   9  o 119.736 2.6114  1921.84   83.733    1875.67   118.366   1968.08   118.467   118.296 3.7357  121.177 3.6499  -2.881485      5.222780 
1 1 1 8   5   10 o 267.818 5.0739  9644.31   363.898   9412.46   514.370   9876.63   514.888   264.583 7.2581  271.052 7.0920  -6.469543      10.14779 
1 1 1 8   5   11 o 141.341 2.9169  2679.98   110.409   2619.05   155.980   2741.17   156.305   139.728 4.1677  142.954 4.0822  -3.225357      5.833837 
1 1 1 8   5   12 o 124.120 2.6954  2066.90   89.596    2105.11   126.647   2028.61   126.770   125.271 3.7745  122.970 3.8488  2.301239       5.390738 
1 1 1 8   5   13 o 91.124  3.1851  1113.58   77.739    1113.58   77.739    0.0000    0.0000    91.124  3.1851  ?       ?       ?              ?        
1 1 1 8   5   14 o 71.624  2.7993  687.860   53.703    687.860   53.703    0.0000    0.0000    71.624  2.7993  ?       ?       ?              ?        
1 1 1 8   5   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   5   16 f ?       ?       396.359   88886.25  0.0000    0.0000    396.359   88886.25  ?       ?       ?       ?       ?              ?        
1 1 1 8   5   17 o 171.683 5.0209  3966.40   230.885   0.0000    0.0000    3966.40   230.885   ?       ?       171.683 5.0209  ?              ?        
1 1 1 8   5   18 o 162.001 4.6684  3529.94   202.571   0.0000    0.0000    3529.94   202.571   ?       ?       162.001 4.6684  ?              ?        
1 1 1 8   5   19 o 90.678  2.2636  1103.65   54.961    1069.81   77.522    1137.85   77.934    89.277  3.2419  92.078  3.1600  -2.800522      4.527129 
1 1 1 8   5   20 o 126.955 2.8045  2166.67   95.353    2121.43   134.623   2212.22   135.076   125.621 4.0010  128.289 3.9310  -2.668205      5.608982 
1 1 1 8   5   21 o 109.639 2.5746  1616.13   75.592    1651.02   106.747   1581.04   107.059   110.831 3.5959  108.447 3.6857  2.384186       5.149252 
1 1 1 8   5   22 o 79.533  2.1677  850.180   46.163    870.810   65.093    829.305   65.479    80.508  3.0186  78.558  3.1119  1.949860       4.335384 
1 1 1 8   5   23 o 63.064  2.0187  535.108   34.051    566.523   48.070    503.472   48.239    64.930  2.7640  61.197  2.9430  3.733471       4.037423 
1 1 1 8   5   24 o 53.313  1.9431  383.223   27.652    379.545   38.836    387.004   39.380    53.054  2.7423  53.572  2.7537  -0.5187492     3.886289 
1 1 1 8   5   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   5   26 o 65.999  2.0556  587.868   36.338    582.922   51.121    592.918   51.661    65.719  2.9042  66.279  2.9100  -0.5600662     4.111258 
1 1 1 8   5   27 o 31.604  1.9646  135.971   16.461    135.006   23.332    136.927   23.226    31.489  2.7954  31.720  2.7613  -0.2311516     3.929255 
1 1 1 8   5   28 o 61.657  2.0257  514.907   33.450    518.496   47.053    511.239   47.563    61.880  2.8389  61.433  2.8906  0.4469528      4.051490 
1 1 1 8   5   29 o 28.730  2.0565  113.216   15.589    118.206   21.950    108.139   22.142    29.394  2.8227  28.065  2.9916  1.328506       4.113052 
1 1 1 8   5   30 o 38.234  1.9811  199.629   20.142    199.660   28.188    199.596   28.793    38.245  2.7705  38.223  2.8326  0.2267456E-01  3.962168 
1 1 1 8   5   31 o 56.178  2.0480  431.528   30.712    428.719   43.282    434.376   43.586    55.994  2.8958  56.363  2.8969  -0.3687973     4.096033 
1 1 1 8   5   32 o 23.885  2.2928  79.831    14.280    76.314    20.058    83.446    20.334    23.324  3.3030  24.446  3.1809  -1.121811      4.585646 
1 1 1 8   5   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   5   34 o 30.669  2.2036  132.117   17.828    137.540   25.055    126.555   25.374    31.355  3.0207  29.984  3.2093  1.370918       4.407289 
1 1 1 8   5   35 o 24.095  2.4861  83.531    15.549    78.499    21.359    89.204    22.680    23.305  3.5324  24.885  3.4993  -1.580366      4.972194 
1 1 1 8   5   36 o 20.633  2.6880  63.088    14.299    61.816    19.803    64.475    20.668    20.433  3.7567  20.833  3.8456  -0.3999290     5.375999 
1 1 1 8   5   37 o 8.4336  2.5546  0.8610    10.392    -3.3888   14.428    5.4426    14.980    7.7488  3.4491  9.1184  3.7692  -1.369626      5.109147 
1 1 1 8   5   38 o 36.726  2.2608  194.503   21.993    200.029   30.753    188.719   31.463    37.338  3.1031  36.115  3.2886  1.222870       4.521573 
1 1 1 8   5   39 o 19.634  2.9394  62.876    15.465    91.369    21.597    32.894    22.154    24.897  3.3214  14.372  4.8507  10.52474       5.878848 
1 1 1 8   5   40 f 19.609  4.4801  63.102    23.016    0.0000    0.0000    63.102    23.016    ?       ?       19.609  4.4801  ?              ?        
1 1 1 8   6   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   6   1  o 210.323 4.0750  5931.56   229.475   6116.36   324.354   5746.37   324.700   213.607 5.6691  207.039 5.8552  6.567947       8.149980 
1 1 1 8   6   2  o 210.429 4.1355  5937.73   233.006   6122.93   329.491   5752.48   329.548   213.715 5.7560  207.143 5.9397  6.572662       8.271084 
1 1 1 8   6   3  o 250.854 4.7798  8439.93   321.131   8561.56   454.257   8318.42   454.039   252.663 6.7123  249.044 6.8066  3.618408       9.559510 
1 1 1 8   6   4  o 309.254 5.8398  12837.74  483.720   12746.17  684.197   12929.25  683.970   308.149 8.2896  310.359 8.2278  -2.210541      11.67961 
1 1 1 8   6   5  o 145.520 3.0329  2837.95   118.212   2830.29   167.391   2845.56   166.965   145.324 4.3004  145.716 4.2779  -0.3917999     6.065756 
1 1 1 8   6   6  o 240.535 4.5913  7762.33   295.802   7779.03   418.505   7745.66   418.150   240.794 6.4888  240.277 6.4973  0.5175781      9.182564 
1 1 1 8   6   7  o 206.394 4.0722  5715.00   225.094   5822.75   318.577   5607.59   318.087   208.340 5.7089  204.448 5.8086  3.891510       8.144435 
1 1 1 8   6   8  f 148.262 3.0700  2947.77   121.893   2885.08   172.439   3010.39   172.328   146.684 4.3890  149.840 4.2938  -3.155533      6.139996 
1 1 1 8   6   9  o 214.622 4.1259  6185.85   237.166   6107.54   335.411   6264.17   335.396   213.260 5.8719  215.985 5.7976  -2.724670      8.251733 
1 1 1 8   6   10 o 169.461 3.3896  3855.47   153.799   3734.19   217.389   3977.00   217.622   166.787 4.8662  172.136 4.7200  -5.348938      6.779237 
1 1 1 8   6   11 o 342.589 6.4201  15871.63  589.053   15584.28  832.735   16159.41  833.360   339.456 9.1587  345.721 8.9995  -6.265167      12.84027 
1 1 1 8   6   12 o 74.713  2.0144  748.795   40.279    782.877   56.960    714.706   56.967    76.417  2.7829  73.010  2.9131  3.406548       4.028712 
1 1 1 8   6   13 o 96.214  3.2150  1241.71   82.853    1241.71   82.853    0.0000    0.0000    96.214  3.2150  ?       ?       ?              ?        
1 1 1 8   6   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   6   15 o 100.186 3.3649  1346.94   90.296    1346.94   90.296    0.0000    0.0000    100.186 3.3649  ?       ?       ?              ?        
1 1 1 8   6   16 o 247.787 6.8468  8294.86   454.419   0.0000    0.0000    8294.86   454.419   ?       ?       247.787 6.8468  ?              ?        
1 1 1 8   6   17 o 227.444 6.3496  6982.25   386.819   0.0000    0.0000    6982.25   386.819   ?       ?       227.444 6.3496  ?              ?        
1 1 1 8   6   18 o 140.180 4.2274  2641.38   158.727   0.0000    0.0000    2641.38   158.727   ?       ?       140.180 4.2274  ?              ?        
1 1 1 8   6   19 o 117.854 2.6718  1866.79   84.290    1786.48   118.919   1947.87   119.491   115.299 3.8507  120.410 3.7050  -5.110802      5.343637 
1 1 1 8   6   20 f 44.484  1.8737  266.529   22.197    250.798   31.231    282.589   31.555    43.146  2.7163  45.822  2.5815  -2.675228      3.747331 
1 1 1 8   6   21 o 60.932  1.9678  498.602   32.085    470.716   45.118    527.133   45.636    59.205  2.8451  62.660  2.7192  -3.455021      3.935536 
1 1 1 8   6   22 o 33.921  1.9745  155.621   17.779    153.705   24.971    157.592   25.319    33.708  2.7908  34.134  2.7938  -0.4262772     3.948936 
1 1 1 8   6   23 o 157.367 3.2939  3355.05   138.836   3360.80   196.030   3349.26   196.659   157.506 4.6466  157.227 4.6698  0.2795105      6.587718 
1 1 1 8   6   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   6   25 o 27.434  1.9886  102.543   14.376    94.894    20.153    110.467   20.512    26.366  2.9017  28.501  2.7200  -2.134647      3.977201 
1 1 1 8   6   26 o 52.143  1.9329  368.055   26.900    366.478   37.815    369.671   38.273    52.032  2.7228  52.254  2.7441  -0.2223969     3.865730 
1 1 1 8   6   27 o 49.789  1.9574  336.259   25.998    329.882   36.497    342.828   37.043    49.307  2.7748  50.271  2.7616  -0.9641380     3.914826 
1 1 1 8   6   28 o 39.344  1.9734  210.718   20.658    208.583   28.926    212.941   29.513    39.143  2.7770  39.545  2.8045  -0.4024734     3.946784 
1 1 1 8   6   29 o 50.022  2.0154  340.740   26.884    330.762   37.548    351.236   38.508    49.267  2.8577  50.778  2.8428  -1.511162      4.030860 
1 1 1 8   6   30 o 61.992  2.0850  523.800   34.594    497.051   48.491    551.527   49.369    60.362  2.9992  63.622  2.8970  -3.260807      4.169913 
1 1 1 8   6   31 o 10.611  2.6412  12.722    9.8597    21.088    13.800    3.9978    14.092    12.310  3.8023  8.9115  3.6668  3.398719       5.282341 
1 1 1 8   6   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   6   33 f 25.367  2.3956  91.169    15.867    92.710    22.712    89.700    22.176    25.575  3.3998  25.160  3.3760  0.4150238      4.791224 
1 1 1 8   6   34 o 40.354  2.1096  227.802   22.631    219.028   31.687    236.938   32.333    39.539  3.0148  41.168  2.9518  -1.629555      4.219244 
1 1 1 8   6   35 o 29.065  2.2710  120.638   17.356    126.198   24.381    114.927   24.711    29.811  3.0987  28.318  3.3210  1.492535       4.542092 
1 1 1 8   6   36 o 27.908  2.3845  112.469   17.450    109.054   24.137    116.208   25.259    27.473  3.3494  28.342  3.3948  -0.8693066     4.768962 
1 1 1 8   6   37 o 50.405  2.1954  362.634   29.479    371.398   41.423    353.641   41.962    51.086  3.0410  49.723  3.1672  1.362938       4.390759 
1 1 1 8   6   38 o 12.717  3.0473  22.611    13.410    36.419    18.694    7.9723    19.249    15.198  4.3632  10.235  4.2551  4.962831       6.094565 
1 1 1 8   6   39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   7   0  o 305.943 5.7549  12560.72  471.590   12613.42  666.474   12507.88  667.385   306.587 8.1160  305.298 8.1614  1.288849       11.50987 
1 1 1 8   7   1  o 396.692 7.3559  21150.80  781.371   21724.88  1105.12   20576.92  1104.93   402.094 10.261  391.290 10.543  10.80377       14.71175 
1 1 1 8   7   2  o 186.835 3.6549  4680.88   182.800   4862.38   258.503   4499.35   258.533   190.462 5.0672  183.208 5.2685  7.254349       7.309811 
1 1 1 8   7   3  o 433.191 8.0186  25250.00  930.327   24902.09  1315.35   25598.26  1316.01   430.191 11.415  436.190 11.264  -5.998932      16.03714 
1 1 1 8   7   4  o 183.430 3.7017  4511.11   181.869   4521.71   257.355   4500.53   257.048   183.645 5.2319  183.214 5.2380  0.4309082      7.403370 
1 1 1 8   7   5  o 128.768 2.7793  2222.73   95.835    2168.52   135.702   2276.66   135.361   127.200 3.9830  130.336 3.8774  -3.135735      5.558631 
1 1 1 8   7   6  o 465.134 8.6292  29225.36  1074.90   29855.24  1520.83   28596.63  1519.44   470.183 12.076  460.084 12.330  10.09863       17.25849 
1 1 1 8   7   7  o 121.847 2.6437  1990.27   86.280    1991.16   122.183   1989.39   121.854   121.873 3.7429  121.820 3.7345  0.5378723E-01  5.287346 
1 1 1 8   7   8  o 46.629  1.7274  292.128   21.492    302.634   30.550    281.834   30.241    47.464  2.4109  45.795  2.4746  1.668526       3.454898 
1 1 1 8   7   9  o 158.353 3.2008  3365.47   135.759   3344.94   192.114   3385.95   191.870   157.869 4.5433  158.836 4.5099  -0.9674225     6.401645 
1 1 1 8   7   10 o 66.126  1.9050  586.190   33.737    576.456   47.788    595.862   47.635    65.578  2.7206  66.674  2.6674  -1.095825      3.810063 
1 1 1 8   7   11 o 177.853 3.5586  4251.35   169.509   4185.62   239.666   4317.13   239.779   176.473 5.0704  179.233 4.9946  -2.760391      7.117225 
1 1 1 8   7   12 o 121.768 2.6744  1990.09   87.221    1967.90   123.257   2012.34   123.442   121.087 3.8004  122.449 3.7638  -1.362053      5.348718 
1 1 1 8   7   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   7   14 o 35.870  2.5389  173.373   24.235    173.373   24.235    0.0000    0.0000    35.870  2.5389  ?       ?       ?              ?        
1 1 1 8   7   15 o 38.622  2.5663  200.896   26.397    200.896   26.397    0.0000    0.0000    38.622  2.5663  ?       ?       ?              ?        
1 1 1 8   7   16 o 93.297  3.2619  1168.08   81.514    0.0000    0.0000    1168.08   81.514    ?       ?       93.297  3.2619  ?              ?        
1 1 1 8   7   17 o 60.729  2.7985  494.706   45.521    0.0000    0.0000    494.706   45.521    ?       ?       60.729  2.7985  ?              ?        
1 1 1 8   7   18 o 202.034 4.9323  5579.36   251.057   5369.04   431.929   5686.67   308.528   198.740 8.1141  205.328 5.6099  -6.587631      9.864547 
1 1 1 8   7   19 o 94.122  2.3477  1190.25   59.144    1134.09   83.400    1247.07   83.886    91.882  3.3888  96.362  3.2501  -4.479973      4.695437 
1 1 1 8   7   20 o 130.193 2.8414  2282.23   99.067    2227.35   139.757   2337.65   140.450   128.614 4.0569  131.773 3.9793  -3.159546      5.682716 
1 1 1 8   7   21 o 92.915  2.3385  1162.18   58.148    1213.13   82.048    1110.77   82.421    94.972  3.2254  90.857  3.3868  4.114731       4.676911 
1 1 1 8   7   22 o 86.586  2.2343  1009.27   51.815    1014.09   73.076    1004.39   73.482    86.796  3.1433  86.375  3.1762  0.4209824      4.468590 
1 1 1 8   7   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   7   24 o 59.838  1.9936  482.892   31.942    494.011   44.981    471.581   45.367    60.540  2.7740  59.137  2.8641  1.402847       3.987247 
1 1 1 8   7   25 o 103.373 2.4683  1449.38   68.305    1386.47   96.117    1513.57   97.085    101.084 3.5500  105.662 3.4304  -4.577293      4.936606 
1 1 1 8   7   26 o 80.594  2.1997  880.434   47.473    854.266   66.855    907.047   67.421    79.376  3.1446  81.812  3.0767  -2.436806      4.399363 
1 1 1 8   7   27 o 56.737  2.0205  436.806   30.649    440.239   43.106    433.297   43.585    57.006  2.8232  56.468  2.8914  0.5379715      4.041069 
1 1 1 8   7   28 f 43.066  1.9907  252.650   22.826    242.481   32.021    263.156   32.548    42.172  2.8515  43.960  2.7785  -1.788002      3.981369 
1 1 1 8   7   29 o 66.422  2.1270  601.625   37.826    616.885   53.249    586.082   53.742    67.293  2.9543  65.551  3.0609  1.742256       4.254023 
1 1 1 8   7   30 o 49.881  2.0276  341.393   26.909    365.339   37.883    317.008   38.228    51.701  2.7454  48.061  2.9844  3.639874       4.055122 
1 1 1 8   7   31 o 16.884  4.0642  41.487    18.158    41.487    18.158    0.0000    0.0000    16.884  4.0642  ?       ?       ?              ?        
1 1 1 8   7   32 o 11.304  2.8846  15.637    11.282    18.985    15.637    12.001    16.295    11.925  4.0749  10.683  4.0839  1.242557       5.769141 
1 1 1 8   7   33 o 55.829  2.1499  434.795   32.005    413.882   44.909    456.379   45.624    54.423  3.0936  57.236  2.9864  -2.813465      4.299845 
1 1 1 8   7   34 o 21.471  2.5659  67.219    14.226    66.026    19.830    68.485    20.420    21.280  3.6080  21.661  3.6493  -0.3816280     5.131719 
1 1 1 8   7   35 o 28.180  2.3646  114.543   17.451    119.380   24.268    109.365   25.112    28.890  3.1893  27.470  3.4919  1.420485       4.729150 
1 1 1 8   7   36 o 19.740  2.9070  59.859    14.880    48.399    21.332    70.719    20.767    17.619  4.5033  21.861  3.6773  -4.241938      5.813936 
1 1 1 8   7   37 o 14.380  3.1411  31.387    14.064    18.038    19.863    44.806    19.915    11.861  4.5150  16.898  4.3681  -5.036461      6.282180 
1 1 1 8   7   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   8   0  o 374.064 6.9412  18804.17  695.365   19144.63  983.153   18463.37  983.637   377.464 9.7243  370.664 9.9075  6.800049       13.88237 
1 1 1 8   8   1  o 107.349 2.4429  1544.41   70.222    1580.34   99.044    1508.09   99.575    108.605 3.4048  106.092 3.5041  2.512955       4.885827 
1 1 1 8   8   2  o 387.590 7.1944  20210.59  746.577   20891.53  1056.12   19530.42  1055.52   394.145 10.004  381.035 10.342  13.10995       14.38883 
1 1 1 8   8   3  o 303.371 5.7417  12364.20  466.551   12319.88  659.661   12408.55  659.945   302.826 8.1328  303.917 8.1071  -1.090942      11.48333 
1 1 1 8   8   4  o 226.381 4.3946  6878.75   266.438   6757.01   376.802   7000.49   376.799   224.374 6.2698  228.389 6.1595  -4.015472      8.789186 
1 1 1 8   8   5  o 49.851  1.7793  333.451   23.704    346.274   33.628    320.787   33.418    50.838  2.4696  48.864  2.5622  1.974510       3.558630 
1 1 1 8   8   6  o 277.373 5.2942  10350.03  393.313   10468.55  556.595   10231.82  555.863   278.965 7.4490  275.780 7.5251  3.184845       10.58848 
1 1 1 8   8   7  o 358.882 6.7134  17398.08  645.326   17454.38  912.903   17341.84  912.355   359.466 9.4815  358.297 9.5067  1.168945       13.42673 
1 1 1 8   8   8  o 271.486 5.1534  9929.96   374.710   9779.62   529.974   10080.24  529.865   269.418 7.3441  273.553 7.2316  -4.134491      10.30688 
1 1 1 8   8   9  o 159.955 3.2771  3439.90   140.148   3200.38   198.115   3679.82   198.284   154.360 4.7917  165.550 4.4717  -11.19005      6.554128 
1 1 1 8   8   10 o 64.409  1.8936  556.137   32.667    559.838   46.362    552.489   46.036    64.622  2.6785  64.197  2.6773  0.4255295      3.787123 
1 1 1 8   8   11 o 149.231 3.8230  2984.51   143.525   2962.94   174.859   3029.06   251.262   148.521 4.3955  149.941 6.2563  -1.420120      7.646047 
1 1 1 8   8   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   8   13 o 140.178 4.2068  2639.73   157.951   2639.73   157.951   0.0000    0.0000    140.178 4.2068  ?       ?       ?              ?        
1 1 1 8   8   14 o 218.831 6.1478  6457.44   360.346   6457.44   360.346   0.0000    0.0000    218.831 6.1478  ?       ?       ?              ?        
1 1 1 8   8   15 f 175.072 4.9925  4124.14   234.110   4124.14   234.110   0.0000    0.0000    175.072 4.9925  ?       ?       ?              ?        
1 1 1 8   8   16 o 88.050  3.2063  1040.44   75.617    0.0000    0.0000    1040.44   75.617    ?       ?       88.050  3.2063  ?              ?        
1 1 1 8   8   17 o 104.720 3.4719  1472.66   97.383    0.0000    0.0000    1472.66   97.383    ?       ?       104.720 3.4719  ?              ?        
1 1 1 8   8   18 o 136.514 3.5978  2539.30   124.125   2431.89   212.076   2595.27   153.084   134.133 5.9029  138.894 4.1149  -4.761108      7.195599 
1 1 1 8   8   19 o 71.243  2.0631  681.624   39.364    667.078   55.482    696.368   55.857    70.476  2.9391  72.010  2.8960  -1.533615      4.126194 
1 1 1 8   8   20 o 44.292  1.9219  264.503   22.690    264.750   32.113    264.257   32.063    44.312  2.7188  44.271  2.7171  0.4123688E-01  3.843709 
1 1 1 8   8   21 o 110.992 2.5651  1660.86   76.253    1636.66   107.467   1685.40   108.214   110.175 3.6417  111.810 3.6134  -1.634285      5.130150 
1 1 1 8   8   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   8   23 o 96.517  2.4051  1259.58   62.167    1277.28   87.620    1241.64   88.218    97.209  3.3652  95.824  3.4371  1.384903       4.810203 
1 1 1 8   8   24 o 73.105  2.1125  722.250   41.349    696.635   58.245    748.278   58.711    71.789  3.0291  74.421  2.9453  -2.632057      4.224950 
1 1 1 8   8   25 o 62.698  2.0461  531.728   34.333    503.480   48.152    560.941   48.968    60.993  2.9474  64.403  2.8387  -3.410881      4.092129 
1 1 1 8   8   26 f 56.412  2.0115  431.570   30.292    402.230   42.447    462.019   43.242    54.402  2.9237  58.423  2.7634  -4.021011      4.022984 
1 1 1 8   8   27 o 20.102  2.3872  56.559    12.391    58.456    17.428    54.621    17.620    20.471  3.2899  19.733  3.4600  0.7381744      4.774416 
1 1 1 8   8   28 o 52.488  2.0262  375.770   28.373    376.885   39.805    374.617   40.454    52.576  2.8371  52.399  2.8936  0.1774406      4.052385 
1 1 1 8   8   29 o 15.231  2.7415  32.802    11.343    24.864    15.415    42.175    16.751    13.301  4.0010  17.161  3.7491  -3.860234      5.483063 
1 1 1 8   8   30 o 25.001  3.4692  121.437   20.622    153.668   24.045    31.790    40.101    33.436  2.7081  16.565  6.3880  16.87051       6.938329 
1 1 1 8   8   31 o 16.407  2.8743  39.840    12.726    47.887    17.588    31.001    18.435    18.194  3.7343  14.620  4.3704  3.574260       5.748530 
1 1 1 8   8   32 o 28.659  2.2481  115.607   16.959    111.293   23.708    120.128   24.268    28.093  3.2082  29.224  3.1501  -1.131001      4.496173 
1 1 1 8   8   33 o 8.7867  2.5905  3.1891    10.240    -0.8992   14.421    7.3459    14.541    8.1431  3.5418  9.4302  3.7814  -1.287107      5.181078 
1 1 1 8   8   34 o 30.098  2.2761  129.311   18.052    123.973   25.396    134.764   25.665    29.431  3.2772  30.765  3.1594  -1.333965      4.552156 
1 1 1 8   8   35 o 15.091  2.8536  33.986    12.798    52.772    18.242    15.782    17.958    18.815  3.7514  11.367  4.3011  7.447716       5.707290 
1 1 1 8   8   36 f 15.699  3.0296  38.059    13.609    51.425    19.385    25.069    19.110    18.338  4.0542  13.060  4.5032  5.278507       6.059300 
1 1 1 8   8   37 o 11.133  4.4132  14.147    19.584    14.147    19.584    0.0000    0.0000    11.133  4.4132  ?       ?       ?              ?        
1 1 1 8   8   38 o 10.010  2.9156  8.9900    12.778    3.7317    18.398    13.891    17.761    9.3468  4.0328  10.674  4.2118  -1.327213      5.831215 
1 1 1 8   9   0  o 221.278 4.2713  6568.44   253.149   6610.74   357.519   6525.92   358.497   221.994 6.0127  220.562 6.0683  1.432098       8.542643 
1 1 1 8   9   1  o 310.942 5.8895  12997.38  490.335   13393.83  693.265   12600.54  693.611   315.705 8.1984  306.179 8.4577  9.525482       11.77905 
1 1 1 8   9   2  o 45.944  1.7477  283.440   21.414    261.315   30.110    306.085   30.462    44.090  2.5607  47.799  2.3793  -3.709396      3.495431 
1 1 1 8   9   3  o 243.092 4.6472  7937.04   302.590   7914.03   427.793   7960.09   428.060   242.738 6.5797  243.445 6.5647  -0.7069550     9.294484 
1 1 1 8   9   4  o 106.385 2.4502  1517.17   69.817    1508.97   98.801    1525.35   98.671    106.097 3.4767  106.672 3.4534  -0.5750961     4.900386 
1 1 1 8   9   5  o 187.628 3.7635  4727.11   189.139   4712.69   267.706   4741.48   267.259   187.342 5.3350  187.915 5.3098  -0.5736389     7.527059 
1 1 1 8   9   6  o 237.872 4.5840  7611.81   292.065   7606.64   413.339   7616.95   412.747   237.790 6.4897  237.954 6.4759  -0.1633911     9.168079 
1 1 1 8   9   7  o 100.803 2.3726  1362.76   64.056    1352.93   90.809    1372.48   90.371    100.441 3.3754  101.166 3.3351  -0.7248611     4.745138 
1 1 1 8   9   8  o 237.887 4.6466  7623.22   296.036   7768.40   419.024   7478.55   418.294   240.160 6.5140  235.614 6.6281  4.546585       9.293266 
1 1 1 8   9   9  o 162.521 3.3307  3548.89   144.983   3521.12   205.212   3576.56   204.863   161.884 4.7327  163.158 4.6878  -1.274475      6.661368 
1 1 1 8   9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   9   11 o 32.117  1.7784  139.087   15.164    146.801   21.659    131.671   21.236    32.999  2.4684  31.234  2.5609  1.765345       3.556816 
1 1 1 8   9   12 o 129.160 2.7674  2240.84   95.691    2324.81   135.390   2157.02   135.264   131.585 3.8414  126.735 3.9847  4.849617       5.534853 
1 1 1 8   9   13 o 49.276  2.6559  326.544   34.925    326.544   34.925    0.0000    0.0000    49.276  2.6559  ?       ?       ?              ?        
1 1 1 8   9   14 o 132.981 4.1429  2375.97   147.566   2375.97   147.566   0.0000    0.0000    132.981 4.1429  ?       ?       ?              ?        
1 1 1 8   9   15 o 185.678 7.5628  4670.99   376.125   4670.99   376.125   0.0000    0.0000    185.678 7.5628  ?       ?       ?              ?        
1 1 1 8   9   16 o 135.420 4.1149  2465.50   149.254   0.0000    0.0000    2465.50   149.254   ?       ?       135.420 4.1149  ?              ?        
1 1 1 8   9   17 o 44.540  2.6245  267.091   31.172    0.0000    0.0000    267.091   31.172    ?       ?       44.540  2.6245  ?              ?        
1 1 1 8   9   18 o 85.766  2.2220  988.402   51.040    971.268   72.130    1005.59   72.233    85.019  3.1675  86.512  3.1172  -1.493446      4.444097 
1 1 1 8   9   19 f 96.664  2.3762  1257.16   61.522    1254.72   86.884    1259.61   87.126    96.570  3.3590  96.758  3.3618  -0.1875610     4.752325 
1 1 1 8   9   20 o 177.472 3.6238  4274.79   172.237   4190.20   243.111   4360.04   244.050   175.690 5.1662  179.253 5.0830  -3.563858      7.247525 
1 1 1 8   9   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   9   22 o 86.447  2.2535  1009.06   52.177    1008.06   73.475    1010.08   74.108    86.406  3.1747  86.487  3.1991  -0.8114624E-01 4.506991 
1 1 1 8   9   23 o 30.248  1.9528  124.487   15.636    119.042   22.019    130.026   22.208    29.567  2.8144  30.930  2.7079  -1.363707      3.905613 
1 1 1 8   9   24 o 42.932  1.9498  250.087   22.245    227.689   31.116    273.504   31.815    40.937  2.8556  44.926  2.6557  -3.988476      3.899661 
1 1 1 8   9   25 o 81.512  2.2400  902.001   48.904    891.792   68.855    912.394   69.471    81.045  3.1719  81.979  3.1638  -0.9336395     4.480042 
1 1 1 8   9   26 o 37.367  1.9898  190.559   19.726    204.645   27.946    176.571   27.848    38.776  2.7077  35.957  2.9166  2.819271       3.979697 
1 1 1 8   9   27 o 29.399  2.1076  119.089   16.296    129.936   22.985    108.124   23.109    30.802  2.8172  27.997  3.1354  2.804363       4.215161 
1 1 1 8   9   28 f 42.586  2.0167  248.364   22.858    252.950   32.016    243.595   32.647    43.007  2.7945  42.165  2.9085  0.8424416      4.033386 
1 1 1 8   9   29 o 32.613  3.0956  154.051   22.494    156.574   26.082    146.727   44.441    33.697  2.9185  31.529  5.4601  2.168152       6.191138 
1 1 1 8   9   30 o 15.276  2.9395  33.823    12.412    28.489    17.095    39.771    18.052    14.068  4.2093  16.484  4.1044  -2.415249      5.879095 
1 1 1 8   9   31 o 14.806  2.9520  32.173    12.204    30.147    16.796    34.439    17.763    14.344  4.1410  15.269  4.2081  -0.9250765     5.903912 
1 1 1 8   9   32 o 34.886  2.1765  171.226   19.945    144.781   27.700    199.695   28.741    31.956  3.2829  37.816  2.8586  -5.860441      4.353067 
1 1 1 8   9   33 o 31.015  2.2915  137.251   18.716    144.883   26.334    129.462   26.603    31.964  3.1155  30.066  3.3610  1.898340       4.582910 
1 1 1 8   9   34 o 18.373  2.8968  51.104    13.962    41.412    19.442    61.426    20.064    16.421  4.3507  20.324  3.8260  -3.903414      5.793670 
1 1 1 8   9   35 o 9.8244  2.6546  4.6479    11.693    -18.1491  17.544    22.868    15.684    7.1698  3.4003  12.479  4.0776  -5.309149      5.309292 
1 1 1 8   9   36 o 26.814  2.6134  107.129   18.261    103.089   25.416    111.441   26.256    26.272  3.7155  27.357  3.6762  -1.085035      5.226791 
1 1 1 8   9   37 o 16.533  3.1052  44.770    14.348    33.094    20.492    56.001    20.097    14.255  4.6610  18.811  4.1042  -4.555713      6.210413 
1 1 1 8   10  0  o 87.332  2.1675  1022.62   50.671    1056.52   71.369    988.154   71.954    88.794  3.0008  85.871  3.1284  2.923187       4.334953 
1 1 1 8   10  1  o 118.605 2.6517  1886.00   84.233    1902.45   118.791   1869.37   119.460   119.127 3.7229  118.084 3.7769  1.042213       5.303363 
1 1 1 8   10  2  o 290.850 5.4937  11387.75  427.865   11688.05  605.031   11087.32  605.152   294.706 7.6648  286.994 7.8723  7.711517       10.98738 
1 1 1 8   10  3  o 261.563 5.0153  9206.13   351.353   9299.12   496.860   9113.12   496.917   262.890 7.0562  260.235 7.1290  2.655029       10.03058 
1 1 1 8   10  4  o 114.513 2.5925  1758.68   79.517    1755.76   112.466   1761.59   112.440   114.418 3.6698  114.608 3.6628  -0.1902161     5.184952 
1 1 1 8   10  5  f 125.416 2.7543  2110.28   92.523    2110.60   131.023   2109.97   130.673   125.425 3.9001  125.406 3.8903  0.1844025E-01  5.508621 
1 1 1 8   10  6  o 183.473 3.6376  4523.76   178.762   4529.90   253.096   4517.65   252.518   183.597 5.1467  183.349 5.1419  0.2479401      7.275170 
1 1 1 8   10  7  o 214.283 4.1649  6179.62   239.039   6133.51   338.301   6225.60   337.804   213.480 5.9164  215.086 5.8636  -1.606064      8.329799 
1 1 1 8   10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   10  9  o 256.826 6.1554  8974.06   397.375   8842.15   690.958   9039.26   485.741   254.869 10.122  258.783 7.0078  -3.914459      12.31073 
1 1 1 8   10  10 o 72.358  2.0282  702.104   39.305    713.105   55.828    691.292   55.348    72.920  2.8583  71.796  2.8781  1.124603       4.056315 
1 1 1 8   10  11 o 68.695  2.0377  632.923   37.492    630.963   53.176    634.860   52.869    68.589  2.8945  68.801  2.8689  -0.2123337     4.075391 
1 1 1 8   10  12 o 106.113 3.5122  1511.33   99.823    1511.33   99.823    0.0000    0.0000    106.113 3.5122  ?       ?       ?              ?        
1 1 1 8   10  13 o 227.254 6.2852  6968.20   382.576   6968.20   382.576   0.0000    0.0000    227.254 6.2852  ?       ?       ?              ?        
1 1 1 8   10  14 o 106.341 3.4994  1518.30   99.674    1518.30   99.674    0.0000    0.0000    106.341 3.4994  ?       ?       ?              ?        
1 1 1 8   10  15 o 82.735  3.1379  918.853   69.539    0.0000    0.0000    918.853   69.539    ?       ?       82.735  3.1379  ?              ?        
1 1 1 8   10  16 o 189.743 5.4052  4860.86   274.704   0.0000    0.0000    4860.86   274.704   ?       ?       189.743 5.4052  ?              ?        
1 1 1 8   10  17 o 80.553  3.0688  871.812   66.212    0.0000    0.0000    871.812   66.212    ?       ?       80.553  3.0688  ?              ?        
1 1 1 8   10  18 o 99.746  2.4470  1339.31   65.358    1300.17   92.281    1378.70   92.580    98.277  3.5057  101.215 3.4149  -2.937836      4.894025 
1 1 1 8   10  19 o 144.509 3.0712  2825.40   118.797   2940.31   167.942   2710.31   168.066   147.481 4.2514  141.537 4.4332  5.943283       6.142330 
1 1 1 8   10  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   10  21 o 47.936  1.9258  310.596   24.622    312.040   34.675    309.126   34.969    48.052  2.7052  47.820  2.7416  0.2312965      3.851506 
1 1 1 8   10  22 o 23.622  2.1284  76.896    13.082    84.491    18.371    69.082    18.633    24.866  2.8074  22.379  3.1997  2.486807       4.256702 
1 1 1 8   10  23 o 47.676  1.9635  308.125   24.963    303.186   35.020    313.226   35.594    47.286  2.7772  48.065  2.7766  -0.7792435     3.927079 
1 1 1 8   10  24 o 47.050  1.9663  300.594   24.666    304.840   34.844    296.329   34.922    47.389  2.7570  46.710  2.8042  0.6790161      3.932505 
1 1 1 8   10  25 o 29.273  2.0581  117.344   15.917    121.726   22.652    113.070   22.370    29.827  2.8708  28.719  2.9499  1.107269       4.116256 
1 1 1 8   10  26 o 38.144  2.0353  198.971   20.601    213.045   29.237    185.092   29.034    39.517  2.7799  36.770  2.9734  2.746799       4.070518 
1 1 1 8   10  27 o 19.392  2.5183  53.429    12.566    56.913    17.400    49.630    18.167    20.126  3.3452  18.658  3.7651  1.467875       5.036541 
1 1 1 8   10  28 o 36.089  2.8961  179.255   27.759    179.255   27.759    0.0000    0.0000    36.089  2.8961  ?       ?       ?              ?        
1 1 1 8   10  29 o 20.581  2.5991  60.637    13.798    57.903    19.349    63.465    19.681    20.078  3.7353  21.084  3.6151  -1.006117      5.198235 
1 1 1 8   10  30 o 21.334  2.5238  65.252    13.907    67.795    19.979    62.862    19.370    21.752  3.5517  20.916  3.5866  0.8359013      5.047650 
1 1 1 8   10  31 o 17.134  2.8646  43.664    12.970    48.764    18.511    38.744    18.179    18.169  3.9189  16.100  4.1792  2.069649       5.729149 
1 1 1 8   10  32 f 25.686  2.4922  96.622    16.295    115.093   22.716    77.044    23.387    28.531  3.0183  22.841  3.9666  5.689707       4.984372 
1 1 1 8   10  33 o 29.408  2.3945  124.892   18.370    138.924   25.842    110.560   26.117    31.246  3.1299  27.569  3.6247  3.676407       4.788965 
1 1 1 8   10  34 o 33.784  2.2979  163.736   20.534    162.573   28.741    164.948   29.346    33.677  3.2258  33.891  3.2735  -0.2144623     4.595793 
1 1 1 8   10  35 o 27.908  2.6347  116.807   18.563    86.704    25.998    148.112   26.512    23.759  4.2410  32.058  3.1275  -8.298918      5.269458 
1 1 1 8   10  36 o 22.953  2.8719  82.742    16.839    94.270    23.250    70.025    24.420    25.043  3.5670  20.863  4.5020  4.179777       5.743777 
1 1 1 8   11  0  o 216.844 4.2448  6318.88   246.510   6428.90   348.183   6208.30   349.056   218.744 5.9427  214.944 6.0629  3.799789       8.489658 
1 1 1 8   11  1  o 220.659 4.3029  6546.14   254.265   6686.81   359.260   6404.97   359.911   223.044 6.0135  218.274 6.1561  4.770111       8.605802 
1 1 1 8   11  2  o 246.858 4.7494  8201.70   314.031   8239.83   443.823   8163.48   444.392   247.436 6.6967  246.279 6.7367  1.156143       9.498894 
1 1 1 8   11  3  o 296.721 5.6377  11881.37  448.064   11831.81  633.465   11930.98  633.852   296.098 7.9873  297.345 7.9586  -1.246460      11.27547 
1 1 1 8   11  4  f 109.746 2.5035  1615.66   73.588    1600.60   104.032   1630.73   104.105   109.233 3.5557  110.258 3.5251  -1.024994      5.006921 
1 1 1 8   11  5  o 151.305 3.1656  3074.48   128.290   3098.21   181.624   3050.86   181.235   151.888 4.4644  150.721 4.4893  1.167587       6.331236 
1 1 1 8   11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   11  7  o 93.134  2.8204  1150.73   65.814    1203.45   116.983   1126.31   79.608    94.637  4.6150  91.631  3.2436  3.006264       5.640819 
1 1 1 8   11  8  o 108.132 2.4917  1569.47   72.147    1532.64   102.237   1606.01   101.827   106.865 3.5718  109.399 3.4750  -2.534035      4.983309 
1 1 1 8   11  9  o 100.118 2.3597  1345.14   63.269    1323.46   89.665    1366.63   89.289    99.313  3.3708  100.924 3.3031  -1.610527      4.719342 
1 1 1 8   11  10 o 156.377 3.2465  3287.58   135.953   3211.49   192.389   3363.48   192.143   154.562 4.6472  158.192 4.5347  -3.629395      6.493080 
1 1 1 8   11  11 o 168.477 3.4291  3818.83   154.665   3681.13   218.746   3956.49   218.714   165.426 4.9368  171.528 4.7605  -6.102142      6.858166 
1 1 1 8   11  12 o 142.999 4.2934  2748.34   164.445   2748.34   164.445   0.0000    0.0000    142.999 4.2934  ?       ?       ?              ?        
1 1 1 8   11  13 o 206.459 5.7432  5748.75   317.595   5748.75   317.595   0.0000    0.0000    206.459 5.7432  ?       ?       ?              ?        
1 1 1 8   11  14 o 296.875 8.0273  11989.74  638.315   11989.74  638.315   0.0000    0.0000    296.875 8.0273  ?       ?       ?              ?        
1 1 1 8   11  15 o 146.322 4.3483  2883.23   170.418   0.0000    0.0000    2883.23   170.418   ?       ?       146.322 4.3483  ?              ?        
1 1 1 8   11  16 o 16.135  3.5486  36.388    14.919    0.0000    0.0000    36.388    14.919    ?       ?       16.135  3.5486  ?              ?        
1 1 1 8   11  17 o 93.165  2.8659  1180.56   67.591    1145.62   114.928   1199.03   83.571    91.935  4.6827  94.396  3.3053  -2.461044      5.731750 
1 1 1 8   11  18 o 41.908  3.6089  238.577   40.116    238.577   40.116    0.0000    0.0000    41.908  3.6089  ?       ?       ?              ?        
1 1 1 8   11  19 o 52.777  1.9398  375.972   27.323    370.726   38.781    381.143   38.502    52.406  2.7726  53.148  2.7136  -0.7417908     3.879605 
1 1 1 8   11  20 o 42.015  1.9095  238.808   21.374    239.498   30.204    238.116   30.252    42.077  2.6941  41.953  2.7066  0.1240044      3.818904 
1 1 1 8   11  21 o 70.672  2.1122  675.074   39.967    694.964   56.454    655.087   56.590    71.726  2.9385  69.618  3.0348  2.108185       4.224330 
1 1 1 8   11  22 o 80.078  2.2366  868.919   47.971    871.418   67.667    866.394   68.017    80.197  3.1501  79.958  3.1759  0.2390976      4.473192 
1 1 1 8   11  23 o 73.599  2.1782  734.617   42.938    727.550   60.509    741.785   60.940    73.241  3.0844  73.957  3.0764  -0.7154770     4.356347 
1 1 1 8   11  24 o 51.397  2.0146  359.225   27.624    354.369   39.002    364.113   39.130    51.043  2.8643  51.750  2.8337  -0.7076149     4.029187 
1 1 1 8   11  25 o 13.973  2.6861  27.411    10.754    38.116    15.227    16.757    15.190    16.381  3.5711  11.565  4.0133  4.815766       5.372101 
1 1 1 8   11  26 o 65.742  2.1239  589.841   37.398    588.074   52.611    591.647   53.170    65.647  2.9921  65.837  3.0151  -0.1896591     4.247791 
1 1 1 8   11  27 o 36.293  3.9562  185.270   37.835    185.270   37.835    0.0000    0.0000    36.293  3.9562  ?       ?       ?              ?        
1 1 1 8   11  28 o 35.885  2.1501  178.770   20.384    160.785   28.732    196.995   28.923    33.991  3.1933  37.778  2.8800  -3.787373      4.300182 
1 1 1 8   11  29 o 28.708  2.2257  115.521   16.809    123.084   24.021    108.264   23.530    29.670  3.0669  27.746  3.2264  1.924004       4.451450 
1 1 1 8   11  30 o 22.636  2.5492  74.086    14.876    82.036    21.083    66.204    20.993    23.967  3.3779  21.306  3.8189  2.661327       5.098432 
1 1 1 8   11  31 o 28.138  2.3954  114.058   17.278    89.230    24.192    139.904   24.683    24.744  3.7693  31.533  2.9570  -6.788511      4.790802 
1 1 1 8   11  32 o 25.976  2.4734  97.539    16.696    87.208    23.253    108.535   23.989    24.446  3.6640  27.505  3.3236  -3.058689      4.946895 
1 1 1 8   11  33 o 27.500  2.5829  110.937   18.067    84.435    25.055    139.644   26.077    23.735  4.0886  31.264  3.1572  -7.529390      5.165703 
1 1 1 8   11  34 o 9.3984  2.6972  3.2865    11.471    17.035    16.496    -9.5856   15.962    11.330  4.1540  7.4667  3.4415  3.863522       5.394409 
1 1 1 8   11  35 o 20.749  2.9221  67.152    15.662    58.319    21.806    76.564    22.510    19.149  4.3504  22.349  3.9025  -3.199640      5.844219 
1 1 1 8   12  0  o 153.941 3.1343  3180.99   129.233   3151.74   182.234   3210.57   183.297   153.229 4.4402  154.653 4.4249  -1.424759      6.268601 
1 1 1 8   12  1  o 318.528 6.0411  13713.40  515.394   13832.19  728.472   13594.34  729.282   319.923 8.5012  317.132 8.5855  2.791046       12.08224 
1 1 1 8   12  2  o 144.025 3.0425  2784.96   117.366   2803.91   165.709   2765.90   166.253   144.518 4.2809  143.532 4.3245  0.9863739      6.084988 
1 1 1 8   12  3  f 76.096  2.9089  776.732   58.951    718.751   80.742    842.925   86.271    73.054  4.1434  79.137  4.0839  -6.083511      5.817769 
1 1 1 8   12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   12  5  o 252.352 4.8775  8592.76   329.591   8358.13   466.016   8827.58   466.207   248.879 6.9907  255.824 6.8038  -6.944595      9.755079 
1 1 1 8   12  6  o 189.766 3.7867  4845.22   192.453   4929.62   272.516   4761.25   271.825   191.421 5.3151  188.111 5.3949  3.310226       7.573370 
1 1 1 8   12  7  o 52.399  1.8851  368.758   26.400    360.492   37.506    376.875   37.167    51.780  2.7137  53.018  2.6172  -1.238071      3.770180 
1 1 1 8   12  8  o 78.019  2.1496  816.508   44.906    845.016   63.753    788.436   63.263    79.372  2.9988  76.665  3.0808  2.706573       4.299283 
1 1 1 8   12  9  o 69.379  2.0408  645.677   37.917    635.673   53.794    655.556   53.455    68.843  2.9173  69.914  2.8545  -1.070602      4.081527 
1 1 1 8   12  10 o 298.548 5.7015  12080.54  455.928   12079.55  645.082   12081.52  644.476   298.534 8.0674  298.562 8.0590  -0.2798462E-01 11.40309 
1 1 1 8   12  11 o 183.729 3.6758  4545.29   180.893   4545.12   256.072   4545.45   255.571   183.724 5.2036  183.733 5.1932  -0.8682251E-02 7.351673 
1 1 1 8   12  12 o 109.260 3.5474  1603.29   103.816   1603.29   103.816   0.0000    0.0000    109.260 3.5474  ?       ?       ?              ?        
1 1 1 8   12  13 o 213.255 5.9978  6147.75   342.596   6147.75   342.596   0.0000    0.0000    213.255 5.9978  ?       ?       ?              ?        
1 1 1 8   12  14 o 94.035  4.9119  1196.41   123.288   1196.41   123.288   0.0000    0.0000    94.035  4.9119  ?       ?       ?              ?        
1 1 1 8   12  15 o 69.586  2.9301  650.599   54.614    0.0000    0.0000    650.599   54.614    ?       ?       69.586  2.9301  ?              ?        
1 1 1 8   12  16 o 61.565  2.8614  509.513   47.184    0.0000    0.0000    509.513   47.184    ?       ?       61.565  2.8614  ?              ?        
1 1 1 8   12  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   12  18 o 92.568  2.3464  1156.46   58.173    1138.97   82.176    1174.03   82.363    91.862  3.3398  93.274  3.2967  -1.412392      4.692834 
1 1 1 8   12  19 o 67.302  2.0677  611.083   37.272    616.262   52.715    605.907   52.707    67.590  2.9119  67.015  2.9363  0.5743332      4.135315 
1 1 1 8   12  20 o 18.905  2.3926  50.179    11.508    67.231    16.693    34.738    15.885    22.130  2.8850  15.681  3.8178  6.448330       4.785253 
1 1 1 8   12  21 o 34.644  1.9869  163.314   18.259    172.451   25.946    154.349   25.700    35.623  2.7403  33.664  2.8779  1.959095       3.973813 
1 1 1 8   12  22 o 52.599  2.0079  375.608   28.178    385.163   39.913    366.113   39.786    53.276  2.8069  51.922  2.8720  1.353733       4.015839 
1 1 1 8   12  23 o 40.382  2.0062  222.561   21.454    248.607   30.519    197.117   30.165    42.770  2.6775  37.993  2.9883  4.776634       4.012338 
1 1 1 8   12  24 o 21.047  2.4118  61.987    13.128    63.888    18.692    60.135    18.443    21.381  3.3760  20.713  3.4452  0.6677971      4.823528 
1 1 1 8   12  25 o 38.191  2.0367  199.683   20.671    207.916   29.635    191.882   28.847    38.968  2.8592  37.415  2.9012  1.553005       4.073378 
1 1 1 8   12  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   12  27 o 52.367  2.1160  378.186   29.546    365.097   41.460    391.693   42.117    51.428  3.0231  53.306  2.9615  -1.877613      4.231945 
1 1 1 8   12  28 o 25.931  2.3075  94.874    15.635    101.334   22.124    88.429    22.099    26.876  3.1322  24.987  3.3895  1.888699       4.615083 
1 1 1 8   12  29 o 44.472  2.0975  275.860   24.837    278.655   34.946    273.006   35.308    44.720  2.9337  44.224  2.9984  0.4957352      4.194911 
1 1 1 8   12  30 o 11.656  2.8226  17.706    11.174    8.1715    16.151    26.459    15.475    9.9035  3.9802  13.409  4.0032  -3.505986      5.645192 
1 1 1 8   12  31 o 37.498  2.2663  200.061   22.446    218.038   31.622    181.807   31.865    39.324  3.0255  35.672  3.3751  3.651882       4.532625 
1 1 1 8   12  32 o 29.055  2.4794  122.480   18.757    106.996   26.333    138.428   26.724    27.021  3.7386  31.089  3.2576  -4.067783      4.958713 
1 1 1 8   12  33 o 10.206  2.8200  9.2636    11.671    19.203    16.798    -0.0138   16.229    11.789  4.2094  8.6220  3.7537  3.167064       5.639925 
1 1 1 8   12  34 o 18.976  3.0503  57.123    15.178    62.464    21.235    51.545    21.703    20.050  4.0927  17.903  4.5240  2.146631       6.100558 
1 1 1 8   13  0  o 158.708 6.4547  3392.86   274.387   3392.86   274.387   0.0000    0.0000    158.708 6.4547  ?       ?       ?              ?        
1 1 1 8   13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   13  2  o 294.378 6.8597  11709.97  510.401   11951.67  885.592   11589.76  624.564   295.972 11.171  292.784 7.9642  3.187775       13.71934 
1 1 1 8   13  3  o 303.207 5.7782  12440.91  469.224   12238.28  663.153   12644.06  664.012   300.711 8.2333  305.703 8.1094  -4.992371      11.55638 
1 1 1 8   13  4  o 178.349 3.5881  4277.65   171.403   4301.14   242.343   4254.13   242.458   178.842 5.0591  177.857 5.0895  0.9843140      7.176189 
1 1 1 8   13  5  o 82.140  2.1902  905.028   48.187    908.839   68.161    901.221   68.133    82.313  3.0916  81.967  3.1034  0.3462601      4.380478 
1 1 1 8   13  6  o 120.907 2.7209  1962.66   88.113    1979.99   124.857   1945.46   124.365   121.439 3.8385  120.374 3.8572  1.065117       5.441718 
1 1 1 8   13  7  o 127.177 2.8034  2171.94   95.491    2201.80   135.385   2142.38   134.705   128.048 3.9474  126.305 3.9817  1.742805       5.606801 
1 1 1 8   13  8  o 283.353 5.4053  10870.81  409.958   10412.71  579.714   11329.09  579.822   277.316 7.8046  289.389 7.4804  -12.07364      10.81053 
1 1 1 8   13  9  o 163.087 3.4035  3578.76   148.631   3488.68   210.452   3668.40   209.940   161.029 4.8793  165.145 4.7462  -4.116135      6.806906 
1 1 1 8   13  10 f 52.408  1.9216  369.435   26.879    366.772   38.182    372.052   37.846    52.219  2.7394  52.598  2.6954  -0.3791618     3.843101 
1 1 1 8   13  11 o 138.934 2.9658  2597.25   110.266   2732.46   156.281   2463.22   155.600   142.551 4.0931  135.318 4.2930  7.232437       5.931557 
1 1 1 8   13  12 o 98.432  3.3948  1301.84   89.504    1301.84   89.504    0.0000    0.0000    98.432  3.3948  ?       ?       ?              ?        
1 1 1 8   13  13 o 62.363  2.8259  522.277   47.204    522.277   47.204    0.0000    0.0000    62.363  2.8259  ?       ?       ?              ?        
1 1 1 8   13  14 o 119.330 3.8284  1918.44   122.364   0.0000    0.0000    1918.44   122.364   ?       ?       119.330 3.8284  ?              ?        
1 1 1 8   13  15 o 66.190  4.4369  595.041   78.206    0.0000    0.0000    595.041   78.206    ?       ?       66.190  4.4369  ?              ?        
1 1 1 8   13  16 o 128.721 4.0232  2240.74   138.710   0.0000    0.0000    2240.74   138.710   ?       ?       128.721 4.0232  ?              ?        
1 1 1 8   13  17 o 62.875  2.0565  532.707   34.631    538.698   49.255    526.849   48.702    63.224  2.9085  62.525  2.9080  0.6991882      4.112930 
1 1 1 8   13  18 o 42.644  1.9237  246.440   21.788    270.237   30.979    223.149   30.648    44.711  2.5980  40.577  2.8378  4.134750       3.847429 
1 1 1 8   13  19 o 86.787  2.2860  1019.89   53.132    1000.50   75.131    1039.29   75.150    85.952  3.2634  87.621  3.2021  -1.668533      4.571970 
1 1 1 8   13  20 o 26.518  2.0867  96.315    14.567    94.993    20.693    97.614    20.511    26.328  2.9872  26.708  2.9145  -0.3796024     4.173461 
1 1 1 8   13  21 o 35.836  1.9895  174.857   18.943    175.699   26.795    174.017   26.784    35.924  2.8070  35.747  2.8202  0.1763039      3.979055 
1 1 1 8   13  22 o 34.212  2.0811  161.106   18.614    131.730   26.225    190.927   26.423    30.959  3.2092  37.464  2.6503  -6.504841      4.162107 
1 1 1 8   13  23 o 7.2276  2.2206  -3.8429   8.3327    -11.0547  11.635    3.7504    11.939    6.1326  2.8645  8.3225  3.3940  -2.189913      4.441272 
1 1 1 8   13  24 o 33.354  2.1102  152.957   18.652    153.452   26.252    152.452   26.505    33.415  2.9639  33.294  3.0046  0.1215248      4.220438 
1 1 1 8   13  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   13  26 o 54.488  2.1360  409.670   31.052    411.645   43.976    407.706   43.852    54.621  3.0176  54.355  3.0240  0.2661591      4.272026 
1 1 1 8   13  27 o 8.4264  2.4191  1.4108    9.3843    -11.0397  13.890    11.867    12.729    6.8409  3.1731  10.012  3.6522  -3.171049      4.838131 
1 1 1 8   13  28 o 28.468  2.3502  115.309   17.424    100.218   24.644    130.394   24.640    26.459  3.5682  30.476  3.0598  -4.016689      4.700472 
1 1 1 8   13  29 o 25.921  2.4360  96.613    16.405    87.391    23.306    105.669   23.096    24.571  3.6523  27.271  3.2243  -2.699551      4.871905 
1 1 1 8   13  30 o 13.711  2.8448  26.214    12.483    44.535    17.691    8.0486    17.616    17.273  3.9144  10.149  4.1290  7.123733       5.689566 
1 1 1 8   13  31 o 10.323  2.8602  10.299    11.751    16.090    16.400    4.1917    16.844    11.252  4.1394  9.3937  3.9482  1.858676       5.720419 
1 1 1 8   13  32 o 21.177  4.1344  68.260    22.609    68.260    22.609    0.0000    0.0000    21.177  4.1344  ?       ?       ?              ?        
1 1 1 8   13  33 o 8.7077  2.6678  0.6323    11.577    5.2995    16.558    -3.8302   16.191    9.3300  3.9177  8.0854  3.6223  1.244550       5.335676 
1 1 1 8   14  0  o 176.618 3.5429  4195.10   167.546   4311.23   236.500   4078.09   237.393   179.083 4.9304  174.152 5.0892  4.930908       7.085846 
1 1 1 8   14  1  o 18.163  2.1042  45.766    9.7443    56.413    13.917    35.527    13.648    20.346  2.6142  15.981  3.2979  4.365347       4.208346 
1 1 1 8   14  2  o 82.238  2.1612  907.358   47.593    927.958   67.120    886.527   67.495    83.179  3.0126  81.298  3.0996  1.881584       4.322431 
1 1 1 8   14  3  o 155.235 3.2393  3238.81   134.678   3281.14   190.207   3196.25   190.722   156.257 4.5446  154.214 4.6173  2.043091       6.478684 
1 1 1 8   14  4  o 115.658 2.6504  1795.88   82.096    1830.06   116.094   1761.70   116.108   116.761 3.7121  114.554 3.7841  2.206741       5.300874 
1 1 1 8   14  5  o 106.101 2.4624  1510.90   69.970    1538.77   99.011    1483.10   98.895    107.080 3.4521  105.122 3.5123  1.958435       4.924773 
1 1 1 8   14  6  o 89.064  2.3020  1064.39   54.914    1058.86   77.787    1069.88   77.533    88.833  3.2692  89.295  3.2417  -0.4621429     4.603925 
1 1 1 8   14  7  o 139.597 2.9974  2618.73   112.067   2662.50   158.885   2575.40   158.091   140.761 4.2142  138.434 4.2636  2.326965       5.994780 
1 1 1 8   14  8  o 169.475 3.4467  3865.80   156.416   3979.86   221.699   3752.76   220.717   171.974 4.8130  166.975 4.9351  4.999191       6.893448 
1 1 1 8   14  9  o 213.281 4.2160  6142.65   240.831   6076.92   340.915   6208.12   340.261   212.131 6.0000  214.431 5.9243  -2.300156      8.431928 
1 1 1 8   14  10 o 97.764  2.3938  1283.88   62.679    1307.03   89.007    1261.10   88.281    98.640  3.3689  96.888  3.4018  1.751289       4.787626 
1 1 1 8   14  11 o 62.398  2.8715  522.797   47.991    522.797   47.991    0.0000    0.0000    62.398  2.8715  ?       ?       ?              ?        
1 1 1 8   14  12 o 62.179  2.8836  519.398   48.025    519.398   48.025    0.0000    0.0000    62.179  2.8836  ?       ?       ?              ?        
1 1 1 8   14  13 o 47.310  2.7817  301.822   35.094    301.822   35.094    0.0000    0.0000    47.310  2.7817  ?       ?       ?              ?        
1 1 1 8   14  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   14  15 o 54.495  2.7743  400.754   40.361    0.0000    0.0000    400.754   40.361    ?       ?       54.495  2.7743  ?              ?        
1 1 1 8   14  16 o 67.305  2.4608  610.207   42.357    625.030   71.337    602.135   52.641    67.787  3.9461  66.824  2.9411  0.9633331      4.921506 
1 1 1 8   14  17 o 13.323  2.6334  24.693    9.7489    26.182    14.264    23.387    13.355    13.681  3.7713  12.966  3.6763  0.7148533      5.266711 
1 1 1 8   14  18 o 95.834  2.4198  1245.76   62.107    1224.69   87.880    1266.80   87.785    95.013  3.4532  96.654  3.3909  -1.641876      4.839670 
1 1 1 8   14  19 o 29.460  2.0380  118.560   15.862    113.733   22.465    123.360   22.401    28.843  2.9494  30.077  2.8133  -1.234123      4.075973 
1 1 1 8   14  20 o 38.805  1.9871  204.864   20.498    215.299   29.205    194.733   28.777    39.795  2.7570  37.815  2.8623  1.980289       3.974146 
1 1 1 8   14  21 o 43.561  2.0275  258.541   23.520    254.285   33.374    262.740   33.152    43.195  2.9014  43.928  2.8327  -0.7329941     4.054939 
1 1 1 8   14  22 f 27.320  2.1760  102.913   15.641    105.690   22.175    100.164   22.066    27.701  3.0385  26.939  3.1156  0.7617893      4.351972 
1 1 1 8   14  23 o 31.970  2.1261  140.804   17.961    131.698   25.324    150.021   25.478    30.893  3.1023  33.047  2.9080  -2.154196      4.252138 
1 1 1 8   14  24 o 30.530  4.0416  131.995   32.238    0.0000    0.0000    131.995   32.238    ?       ?       30.530  4.0416  ?              ?        
1 1 1 8   14  25 o 43.307  2.1139  259.111   24.370    258.602   34.549    259.615   34.379    43.259  3.0003  43.354  2.9786  -0.9436417E-01 4.227773 
1 1 1 8   14  26 o 10.514  2.5586  10.629    10.044    25.749    14.273    -4.2045   14.137    13.337  3.8074  7.6900  3.4191  5.647048       5.117245 
1 1 1 8   14  27 f 18.845  2.7935  52.308    13.668    61.279    19.568    43.763    19.099    20.551  3.6906  17.140  4.1944  3.411057       5.586914 
1 1 1 8   14  28 o 12.113  2.6714  16.043    11.597    38.502    16.746    -4.6498   16.074    16.092  3.9212  8.1332  3.6289  7.959251       5.342716 
1 1 1 8   14  29 o 22.527  2.6833  74.424    15.607    72.600    22.274    76.183    21.874    22.205  3.8867  22.850  3.7004  -0.6454639     5.366537 
1 1 1 8   14  30 o 18.623  2.8341  53.382    14.807    19.752    20.696    88.642    21.192    12.409  4.6337  24.837  3.2646  -12.42812      5.668242 
1 1 1 8   14  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   14  32 o 10.456  2.8920  10.304    12.369    -0.2551   17.334    21.259    17.655    8.7794  3.8492  12.133  4.3172  -3.353760      5.784017 
1 1 1 8   15  0  o 261.472 5.0084  9232.09   350.762   9228.70   495.376   9235.49   496.731   261.426 7.0745  261.517 7.0914  -0.9106445E-01 10.01682 
1 1 1 8   15  1  o 194.477 3.8703  5090.52   201.603   5047.69   284.517   5133.71   285.707   193.653 5.4852  195.300 5.4617  -1.647217      7.740673 
1 1 1 8   15  2  o 113.235 2.5625  1720.95   77.710    1685.24   109.487   1757.21   110.316   112.050 3.6481  114.421 3.5995  -2.371101      5.124929 
1 1 1 8   15  3  o 108.119 2.4924  1569.36   72.155    1611.03   101.849   1527.38   102.237   109.564 3.4706  106.675 3.5782  2.889198       4.984790 
1 1 1 8   15  4  o 244.547 4.7457  8074.54   310.839   7985.06   439.348   8164.21   439.838   243.181 6.7451  245.914 6.6776  -2.732712      9.491426 
1 1 1 8   15  5  o 216.917 4.2608  6346.74   247.466   6551.17   350.225   6142.91   349.716   220.430 5.9318  213.405 6.1182  7.024460       8.521657 
1 1 1 8   15  6  o 94.679  2.3255  1203.19   58.973    1208.22   83.502    1198.20   83.300    94.876  3.2859  94.482  3.2916  0.3945847      4.651003 
1 1 1 8   15  7  o 124.690 2.7677  2089.60   92.434    2075.34   130.940   2103.76   130.504   124.263 3.9340  125.116 3.8942  -0.8523254     5.535490 
1 1 1 8   15  8  f 91.147  2.3240  1115.95   56.726    1096.22   80.448    1135.46   79.999    90.342  3.3246  91.951  3.2482  -1.608879      4.647931 
1 1 1 8   15  9  o 43.647  1.9244  257.203   22.335    240.271   31.804    273.678   31.372    42.211  2.8294  45.083  2.6091  -2.872807      3.848799 
1 1 1 8   15  10 o 180.969 3.7156  4429.52   180.067   4543.51   255.102   4316.34   254.206   183.310 5.1957  178.629 5.3131  4.680328       7.431248 
1 1 1 8   15  11 o 109.332 3.6598  1609.85   107.173   1609.85   107.173   0.0000    0.0000    109.332 3.6598  ?       ?       ?              ?        
1 1 1 8   15  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   15  13 o 72.357  4.6467  713.052   89.580    713.052   89.580    0.0000    0.0000    72.357  4.6467  ?       ?       ?              ?        
1 1 1 8   15  14 o 44.498  2.7423  267.615   32.526    0.0000    0.0000    267.615   32.526    ?       ?       44.498  2.7423  ?              ?        
1 1 1 8   15  15 o 65.349  2.9305  576.121   51.295    0.0000    0.0000    576.121   51.295    ?       ?       65.349  2.9305  ?              ?        
1 1 1 8   15  16 o 41.928  1.9617  238.247   21.906    239.132   31.081    237.374   30.879    42.005  2.7782  41.851  2.7703  0.1539154      3.923409 
1 1 1 8   15  17 o 52.282  1.9978  370.645   27.848    353.567   39.415    387.668   39.351    51.061  2.8938  53.504  2.7552  -2.443321      3.995699 
1 1 1 8   15  18 o 34.472  1.9962  161.716   18.264    166.894   26.108    156.754   25.560    35.019  2.8070  33.925  2.8390  1.093605       3.992380 
1 1 1 8   15  19 o 52.344  2.0340  372.191   28.402    379.725   40.642    365.000   39.709    52.862  2.8813  51.826  2.8718  1.035553       4.068011 
1 1 1 8   15  20 o 33.636  2.0761  154.684   18.507    161.487   26.471    148.180   25.884    34.373  2.9023  32.900  2.9693  1.472622       4.152163 
1 1 1 8   15  21 o 20.767  2.4104  60.633    12.882    53.125    18.155    68.247    18.283    19.382  3.6305  22.153  3.1718  -2.770535      4.820857 
1 1 1 8   15  22 o 67.048  4.1735  627.533   74.579    627.533   74.579    0.0000    0.0000    67.048  4.1735  ?       ?       ?              ?        
1 1 1 8   15  23 o 32.549  2.1774  146.609   18.757    146.820   26.511    146.398   26.542    32.574  3.0749  32.524  3.0836  0.5029678E-01  4.354705 
1 1 1 8   15  24 o 27.160  2.3555  104.122   16.557    87.306    23.368    121.073   23.461    24.805  3.6242  29.516  3.0097  -4.710993      4.711024 
1 1 1 8   15  25 o 50.176  2.1502  350.043   28.696    323.537   40.483    376.809   40.681    48.191  3.1537  52.160  2.9236  -3.969532      4.300375 
1 1 1 8   15  26 o 11.527  2.9167  16.931    11.388    18.581    16.767    15.518    15.516    11.904  4.2102  11.150  4.0376  0.7548132      5.833384 
1 1 1 8   15  27 o 14.598  2.9732  31.670    12.253    33.140    17.720    30.324    16.960    14.899  4.2385  14.297  4.1709  0.6016159      5.946500 
1 1 1 8   15  28 o 43.020  2.2157  261.468   25.265    238.540   35.759    284.321   35.701    41.020  3.2821  45.019  2.9775  -3.998608      4.431448 
1 1 1 8   15  29 o 22.091  2.8213  72.883    16.036    66.037    22.905    79.466    22.460    20.913  4.2343  23.268  3.7297  -2.355648      5.642692 
1 1 1 8   15  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   15  31 o 32.620  2.4537  156.965   20.972    138.772   29.433    175.730   29.891    30.505  3.6763  34.735  3.2506  -4.230377      4.907330 
1 1 1 8   16  0  o 14.222  2.4845  27.799    10.479    46.765    14.737    8.3990    14.904    18.421  3.0965  10.023  3.8862  8.398754       4.969026 
1 1 1 8   16  1  o 36.300  1.8565  177.502   17.921    170.634   25.037    184.718   25.662    35.574  2.6465  37.025  2.6043  -1.450565      3.712976 
1 1 1 8   16  2  o 159.447 3.2896  3419.10   140.465   3486.58   198.312   3351.16   198.985   161.034 4.5977  157.861 4.7061  3.173050       6.579223 
1 1 1 8   16  3  f 116.963 2.6458  1837.23   82.885    1845.75   116.977   1828.64   117.460   117.236 3.7252  116.689 3.7581  0.5475159      5.291546 
1 1 1 8   16  4  o 98.557  2.3899  1304.15   63.077    1272.95   89.080    1335.52   89.328    97.373  3.4155  99.742  3.3437  -2.369225      4.779703 
1 1 1 8   16  5  o 170.260 3.4997  3904.89   159.581   3977.42   225.804   3832.51   225.560   171.849 4.9057  168.672 4.9926  3.176422       6.999413 
1 1 1 8   16  6  o 128.965 2.8467  2237.04   98.335    2239.38   139.227   2234.71   138.905   129.032 4.0284  128.899 4.0233  0.1336823      5.693432 
1 1 1 8   16  7  o 147.176 3.1444  2918.48   123.949   2958.72   175.540   2878.46   175.041   148.193 4.4224  146.160 4.4712  2.033340       6.288824 
1 1 1 8   16  8  o 125.013 2.7876  2104.39   93.340    2111.56   132.258   2097.28   131.748   125.225 3.9432  124.801 3.9413  0.4237442      5.575137 
1 1 1 8   16  9  o 26.351  2.1194  94.519    14.692    95.119    20.901    93.933    20.657    26.433  3.0055  26.268  2.9891  0.1649723      4.238866 
1 1 1 8   16  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   16  11 o 38.245  2.7974  197.793   28.457    197.793   28.457    0.0000    0.0000    38.245  2.7974  ?       ?       ?              ?        
1 1 1 8   16  12 o 64.069  2.9222  552.907   50.147    552.907   50.147    0.0000    0.0000    64.069  2.9222  ?       ?       ?              ?        
1 1 1 8   16  13 o 65.727  2.9278  582.512   51.544    0.0000    0.0000    582.512   51.544    ?       ?       65.727  2.9278  ?              ?        
1 1 1 8   16  14 o 49.843  2.8027  336.175   37.265    0.0000    0.0000    336.175   37.265    ?       ?       49.843  2.8027  ?              ?        
1 1 1 8   16  15 o 43.154  2.3642  259.453   25.729    234.327   42.498    273.991   32.326    41.328  3.8848  44.980  2.6956  -3.652313      4.728369 
1 1 1 8   16  16 o 19.253  2.3976  51.738    11.912    52.082    16.903    51.400    16.791    19.318  3.3904  19.188  3.3911  0.1299362      4.795228 
1 1 1 8   16  17 o 29.607  2.1232  121.174   16.376    102.620   23.521    138.630   22.814    27.302  3.2822  31.912  2.6943  -4.610094      4.246434 
1 1 1 8   16  18 o 41.750  2.0350  237.273   22.612    242.454   32.410    232.359   31.564    42.195  2.8850  41.306  2.8707  0.8884010      4.069900 
1 1 1 8   16  19 o 32.674  2.0798  146.184   18.006    147.192   25.552    145.190   25.378    32.786  2.9409  32.561  2.9416  0.2257881      4.159586 
1 1 1 8   16  20 o 44.262  2.0877  268.512   24.553    251.410   34.970    285.139   34.482    42.826  3.0690  45.698  2.8311  -2.871395      4.175368 
1 1 1 8   16  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   16  22 o 66.783  2.2228  613.367   39.759    607.026   56.272    619.689   56.185    66.427  3.1627  67.138  3.1244  -0.7106934     4.445683 
1 1 1 8   16  23 o 55.767  2.1565  430.035   32.087    435.783   45.403    424.299   45.354    56.152  3.0300  55.383  3.0694  0.7692108      4.313018 
1 1 1 8   16  24 o 7.5975  2.3680  -2.8049   9.3543    -4.9620   14.243    -1.1687   12.405    7.6228  3.4075  7.5721  3.2891  0.5072403E-01  4.735990 
1 1 1 8   16  25 o 28.226  2.3677  113.072   17.532    118.370   24.825    107.801   24.762    28.933  3.2602  27.518  3.4344  1.415281       4.735389 
1 1 1 8   16  26 o 29.098  2.4004  120.627   18.323    129.385   26.225    112.274   25.611    30.190  3.2968  28.006  3.4898  2.183205       4.800786 
1 1 1 8   16  27 o 14.679  3.0564  32.304    13.169    23.290    19.076    40.511    18.202    12.942  4.4970  16.416  4.1404  -3.473398      6.112772 
1 1 1 8   16  28 o 26.021  2.7102  100.246   17.861    75.740    24.976    125.894   25.551    22.383  4.3225  29.659  3.2707  -7.276768      5.420492 
1 1 1 8   16  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   17  0  f 161.241 3.3116  3496.82   143.017   3463.55   201.609   3530.53   202.909   160.468 4.6907  162.014 4.6758  -1.546478      6.623119 
1 1 1 8   17  1  o 166.389 3.3726  3725.44   150.280   3632.51   211.862   3819.53   213.199   164.293 4.8144  168.485 4.7243  -4.191315      6.745185 
1 1 1 8   17  2  o 182.735 3.6852  4499.56   180.370   4507.95   254.576   4491.11   255.592   182.910 5.1963  182.561 5.2270  0.3485870      7.370378 
1 1 1 8   17  3  o 100.311 2.4044  1351.44   64.602    1347.97   91.061    1354.95   91.663    100.182 3.3935  100.440 3.4072  -0.2579880     4.808873 
1 1 1 8   17  4  o 188.553 3.8211  4800.21   192.980   4777.14   272.681   4823.35   273.150   188.098 5.4123  189.010 5.3954  -0.9121704     7.642254 
1 1 1 8   17  5  f 88.842  2.2893  1060.67   54.465    1085.13   77.046    1036.24   77.005    89.869  3.2007  87.815  3.2739  2.054207       4.578522 
1 1 1 8   17  6  o 58.946  2.0192  466.759   31.876    458.874   45.159    474.589   45.001    58.448  2.8846  59.444  2.8263  -0.9959412     4.038423 
1 1 1 8   17  7  o 111.366 2.6155  1670.47   78.008    1643.45   110.443   1697.38   110.198   110.461 3.7328  112.271 3.6645  -1.809372      5.230940 
1 1 1 8   17  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   17  9  o 21.869  2.3429  66.907    13.004    51.326    18.479    82.193    18.303    19.180  3.7312  24.558  2.8346  -5.377367      4.685807 
1 1 1 8   17  10 o 77.842  3.1505  816.767   65.689    816.767   65.689    0.0000    0.0000    77.842  3.1505  ?       ?       ?              ?        
1 1 1 8   17  11 o 77.600  3.1279  812.476   65.012    812.476   65.012    0.0000    0.0000    77.600  3.1279  ?       ?       ?              ?        
1 1 1 8   17  12 o 96.830  5.2791  1290.06   136.402   1290.06   136.402   0.0000    0.0000    96.830  5.2791  ?       ?       ?              ?        
1 1 1 8   17  13 o 66.459  2.9816  596.782   53.075    0.0000    0.0000    596.782   53.075    ?       ?       66.459  2.9816  ?              ?        
1 1 1 8   17  14 o 17.213  3.4889  41.631    15.535    0.0000    0.0000    41.631    15.535    ?       ?       17.213  3.4889  ?              ?        
1 1 1 8   17  15 o 19.469  2.4298  53.010    12.181    58.848    17.362    47.351    17.095    20.586  3.2572  18.351  3.6065  2.235407       4.859639 
1 1 1 8   17  16 o 34.113  2.0511  158.709   18.561    160.820   26.516    156.682   25.989    34.335  2.9107  33.891  2.8906  0.4435616      4.102165 
1 1 1 8   17  17 o 40.212  2.0507  220.421   21.936    224.354   31.347    216.648   30.706    40.564  2.9044  39.860  2.8959  0.7040901      4.101400 
1 1 1 8   17  18 o 33.306  2.0930  151.862   18.463    159.824   26.554    144.411   25.689    34.163  2.9302  32.448  2.9895  1.715950       4.186046 
1 1 1 8   17  19 o 58.612  3.0930  470.490   48.386    470.490   48.386    0.0000    0.0000    58.612  3.0930  ?       ?       ?              ?        
1 1 1 8   17  20 o 9.7857  2.6825  8.7198    10.095    6.1277    14.402    11.223    14.153    9.3481  3.7581  10.223  3.8290  -0.8752708     5.365094 
1 1 1 8   17  21 f 27.545  2.4219  107.795   17.084    85.750    24.342    129.193   23.983    24.544  3.8275  30.546  2.9687  -6.002262      4.843854 
1 1 1 8   17  22 o 17.047  2.8004  41.969    12.668    54.402    18.658    31.336    17.255    19.426  3.7213  14.669  4.1858  4.757513       5.600802 
1 1 1 8   17  23 o 40.588  2.1643  230.226   23.279    213.653   33.247    246.166   32.606    39.068  3.2055  42.108  2.9088  -3.040649      4.328566 
1 1 1 8   17  24 o 16.429  2.8564  40.061    12.490    42.201    17.662    37.921    17.666    16.888  3.9714  15.971  4.1066  0.9164066      5.712792 
1 1 1 8   17  25 o 16.233  3.0083  39.846    13.658    27.181    19.613    51.769    19.030    13.748  4.5631  18.717  3.9213  -4.969257      6.016514 
1 1 1 8   17  26 o 17.170  3.0655  44.410    14.272    55.038    20.636    34.665    19.760    19.176  4.1390  15.163  4.5230  4.012840       6.130970 
1 1 1 8   17  27 o 12.484  3.1632  21.196    13.472    18.561    19.371    23.666    18.750    12.059  4.4869  12.908  4.4599  -0.8486290     6.326396 
1 1 1 8   17  28 o 8.3483  2.5950  -2.6065   11.449    -9.7742   16.586    3.9167    15.823    7.6310  3.5139  9.0657  3.8194  -1.434660      5.189927 
1 1 1 8   18  0  o 115.052 2.6237  1780.71   80.750    1876.24   113.869   1684.08   114.528   118.171 3.5976  111.933 3.8200  6.237602       5.247353 
1 1 1 8   18  1  o 105.145 2.4511  1485.35   69.027    1467.53   97.099    1503.56   98.148    104.507 3.4688  105.783 3.4640  -1.275940      4.902222 
1 1 1 8   18  2  o 130.379 2.8615  2287.75   99.915    2238.44   140.757   2337.82   141.850   128.958 4.0750  131.799 4.0182  -2.840775      5.722919 
1 1 1 8   18  3  o 24.496  2.1304  82.318    13.545    70.791    19.229    93.669    19.082    22.723  3.2522  26.270  2.7528  -3.547661      4.260819 
1 1 1 8   18  4  o 57.847  1.9806  449.480   30.688    446.913   43.351    452.060   43.447    57.681  2.8059  58.013  2.7960  -0.3317719     3.961170 
1 1 1 8   18  5  o 132.433 3.7303  2410.18   122.803   2470.32   149.337   2284.59   215.811   135.324 4.1201  129.542 6.2198  5.782806       7.460597 
1 1 1 8   18  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   18  7  o 46.459  1.9444  291.342   24.083    296.735   34.008    285.917   34.110    46.896  2.7191  46.022  2.7801  0.8736115      3.888802 
1 1 1 8   18  8  f 66.083  2.0921  588.187   37.007    616.610   52.649    560.428   52.029    67.668  2.9048  64.498  3.0117  3.169617       4.184248 
1 1 1 8   18  9  o 12.798  2.9986  20.847    11.246    21.050    13.314    20.343    21.011    12.408  3.7153  13.187  4.7079  -0.7791414     5.997285 
1 1 1 8   18  10 o 32.038  2.8304  139.470   24.039    139.470   24.039    0.0000    0.0000    32.038  2.8304  ?       ?       ?              ?        
1 1 1 8   18  11 o 71.768  3.0812  696.157   59.229    696.157   59.229    0.0000    0.0000    71.768  3.0812  ?       ?       ?              ?        
1 1 1 8   18  12 o 47.460  2.8257  305.306   35.758    0.0000    0.0000    305.306   35.758    ?       ?       47.460  2.8257  ?              ?        
1 1 1 8   18  13 o 25.142  3.0763  86.834    20.285    0.0000    0.0000    86.834    20.285    ?       ?       25.142  3.0763  ?              ?        
1 1 1 8   18  14 o 52.413  2.4780  386.070   32.720    338.829   53.912    413.618   41.169    49.601  4.0945  55.225  2.7923  -5.623760      4.956014 
1 1 1 8   18  15 o 42.850  2.0295  250.472   23.095    231.830   32.840    268.713   32.485    41.232  2.9940  44.468  2.7407  -3.236092      4.059048 
1 1 1 8   18  16 o 40.383  2.0655  222.654   22.184    219.847   31.602    225.380   31.148    40.120  2.9618  40.645  2.8797  -0.5258217     4.130934 
1 1 1 8   18  17 o 15.864  2.7743  36.030    11.723    35.824    16.638    36.233    16.519    15.818  3.9415  15.910  3.9053  -0.9212494E-01 5.548565 
1 1 1 8   18  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   18  19 o 55.323  2.1661  421.061   31.964    411.936   45.272    430.131   45.137    54.705  3.1024  55.941  3.0236  -1.236172      4.332109 
1 1 1 8   18  20 o 16.773  2.9295  41.374    13.158    35.054    19.094    47.090    18.157    15.509  4.3953  18.036  3.8741  -2.526603      5.858949 
1 1 1 8   18  21 o 21.980  2.6909  71.316    14.934    51.129    21.446    90.320    20.808    18.589  4.3793  25.371  3.1282  -6.782257      5.381822 
1 1 1 8   18  22 f 22.433  2.7979  74.793    15.739    112.495   22.897    41.025    21.670    28.319  3.0677  16.546  4.6801  11.77288       5.595872 
1 1 1 8   18  23 o 45.874  2.2037  294.884   26.893    285.123   38.313    304.366   37.760    45.072  3.1942  46.676  3.0368  -1.604057      4.407397 
1 1 1 8   18  24 o 7.5306  2.3716  -6.3777   10.092    2.4109    13.854    -16.3136  14.730    8.4823  3.5737  6.5790  3.1188  1.903269       4.743244 
1 1 1 8   18  25 o 16.805  3.1166  43.055    14.212    40.310    20.834    45.443    19.436    16.255  4.5859  17.354  4.2217  -1.099293      6.233197 
1 1 1 8   18  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   18  27 f 17.426  3.0621  46.877    14.708    65.182    21.452    30.638    20.205    20.722  4.0100  14.131  4.6287  6.590733       6.124108 
1 1 1 8   19  0  o 31.231  1.9853  132.759   16.273    152.339   23.018    113.195   23.009    33.591  2.5780  28.872  3.0200  4.718863       3.970673 
1 1 1 8   19  1  o 59.684  1.9817  478.406   31.676    467.670   44.557    489.375   45.039    59.006  2.8193  60.362  2.7857  -1.355827      3.963383 
1 1 1 8   19  2  o 73.170  2.7606  734.282   49.336    752.138   59.339    694.301   88.793    74.806  2.9615  71.534  4.6596  3.271500       5.521122 
1 1 1 8   19  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   19  4  o 36.808  1.9236  183.263   18.814    175.992   26.728    190.405   26.489    36.071  2.7880  37.545  2.6511  -1.473446      3.847250 
1 1 1 8   19  5  o 76.858  2.1566  795.438   44.396    787.209   62.682    803.721   62.889    76.457  3.0608  77.258  3.0391  -0.8006744     4.313280 
1 1 1 8   19  6  o 18.694  2.3311  48.299    11.192    40.151    15.330    57.598    16.376    16.940  3.4947  20.449  3.0860  -3.508909      4.662200 
1 1 1 8   19  7  o 46.075  1.9419  287.061   23.837    300.248   33.750    273.935   33.672    47.144  2.6839  45.005  2.8073  2.138752       3.883800 
1 1 1 8   19  8  o 57.940  2.0398  453.579   31.570    476.806   44.769    430.604   44.525    59.465  2.8108  56.415  2.9569  3.050255       4.079659 
1 1 1 8   19  9  o 20.669  3.1504  59.040    16.889    59.040    16.889    0.0000    0.0000    20.669  3.1504  ?       ?       ?              ?        
1 1 1 8   19  10 o 44.703  2.8431  270.986   33.865    270.986   33.865    0.0000    0.0000    44.703  2.8431  ?       ?       ?              ?        
1 1 1 8   19  11 o 45.539  4.6666  287.441   56.117    287.441   56.117    0.0000    0.0000    45.539  4.6666  ?       ?       ?              ?        
1 1 1 8   19  12 o 46.799  2.8611  297.430   35.692    0.0000    0.0000    297.430   35.692    ?       ?       46.799  2.8611  ?              ?        
1 1 1 8   19  13 o 41.929  2.8629  239.227   31.960    0.0000    0.0000    239.227   31.960    ?       ?       41.929  2.8629  ?              ?        
1 1 1 8   19  14 o 64.440  2.1539  564.179   37.174    574.196   52.987    554.469   52.165    65.004  3.0433  63.876  3.0490  1.128117       4.307895 
1 1 1 8   19  15 o 19.438  2.6368  53.474    13.227    55.731    18.873    51.295    18.543    19.861  3.6834  19.015  3.7740  0.8466568      5.273568 
1 1 1 8   19  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   19  17 o 41.736  2.1442  239.967   23.746    222.462   33.678    257.273   33.486    40.167  3.1557  43.305  2.9038  -3.137478      4.288428 
1 1 1 8   19  18 o 22.197  2.5878  69.843    14.820    72.451    21.791    67.599    20.215    22.565  3.7361  21.830  3.5816  0.7350998      5.175606 
1 1 1 8   19  19 o 44.906  2.1739  279.309   25.986    281.827   37.140    276.894   36.372    45.096  3.0935  44.716  3.0550  0.3794136      4.347746 
1 1 1 8   19  20 o 37.218  2.2067  193.423   21.767    184.535   30.934    202.139   30.635    36.321  3.2129  38.115  3.0256  -1.794422      4.413299 
1 1 1 8   19  21 f 40.773  2.2365  232.727   24.227    233.806   34.722    231.704   33.819    40.845  3.1994  40.701  3.1261  0.1443787      4.473086 
1 1 1 8   19  22 o 33.755  2.3862  161.906   21.189    149.243   30.339    173.966   29.606    32.349  3.5604  35.161  3.1780  -2.811726      4.772464 
1 1 1 8   19  23 o 23.190  2.7766  78.761    16.624    77.236    23.711    80.236    23.314    22.925  4.0073  23.455  3.8443  -0.5297146     5.553115 
1 1 1 8   19  24 o 12.028  3.0944  17.717    13.239    26.497    19.167    9.7075    18.307    13.525  4.5120  10.532  4.2359  2.993141       6.188794 
1 1 1 8   19  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   19  26 f 7.5768  2.4107  -8.5904   10.977    -23.7403  16.531    3.3589    14.681    6.4602  3.1249  8.6933  3.6716  -2.233063      4.821392 
1 1 1 8   20  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   20  1  o 50.502  1.9286  343.835   25.990    339.551   36.579    348.203   36.934    50.183  2.7317  50.821  2.7232  -0.6383858     3.857162 
1 1 1 8   20  2  o 72.656  2.1033  711.482   40.856    760.068   57.720    662.695   57.839    75.158  2.8672  70.154  3.0781  5.004272       4.206605 
1 1 1 8   20  3  o 47.117  1.9124  299.949   23.971    274.043   33.710    326.451   34.095    45.036  2.8085  49.198  2.5965  -4.162304      3.824886 
1 1 1 8   20  4  o 52.748  1.9525  375.743   27.483    383.751   38.792    367.673   38.943    53.319  2.7254  52.177  2.7967  1.142715       3.905038 
1 1 1 8   20  5  o 60.629  2.0298  495.649   32.951    510.836   46.610    480.476   46.589    61.564  2.8266  59.695  2.9138  1.869331       4.059531 
1 1 1 8   20  6  o 105.698 2.5345  1513.74   71.705    1447.10   101.210   1580.90   101.603   103.337 3.6566  108.058 3.5104  -4.721405      5.068931 
1 1 1 8   20  7  o 68.996  2.1151  643.152   39.086    651.586   55.263    634.710   55.289    69.453  2.9707  68.539  3.0117  0.9134674      4.230240 
1 1 1 8   20  8  o 68.500  3.0797  634.758   56.505    634.758   56.505    0.0000    0.0000    68.500  3.0797  ?       ?       ?              ?        
1 1 1 8   20  9  o 12.131  3.8331  19.784    13.939    19.784    13.939    0.0000    0.0000    12.131  3.8331  ?       ?       ?              ?        
1 1 1 8   20  10 o 19.736  3.5159  54.492    17.905    54.492    17.905    0.0000    0.0000    19.736  3.5159  ?       ?       ?              ?        
1 1 1 8   20  11 o 45.984  2.8847  287.516   35.349    0.0000    0.0000    287.516   35.349    ?       ?       45.984  2.8847  ?              ?        
1 1 1 8   20  12 o 8.8383  3.5724  4.7887    13.091    0.0000    0.0000    4.7887    13.091    ?       ?       8.8383  3.5724  ?              ?        
1 1 1 8   20  13 f 27.261  2.5265  97.156    17.421    136.358   28.962    74.928    21.808    31.394  3.5040  23.128  3.6407  8.265682       5.052944 
1 1 1 8   20  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   20  15 o 12.613  2.9482  21.270    11.661    17.756    16.748    24.577    16.246    11.937  4.2094  13.289  4.1290  -1.351721      5.896394 
1 1 1 8   20  16 o 29.358  2.2995  119.720   17.528    144.763   25.509    97.320    24.125    32.382  2.9742  26.333  3.5077  6.049532       4.598922 
1 1 1 8   20  17 o 23.494  2.6254  80.575    15.444    56.469    22.034    103.852   21.652    19.657  4.3043  27.332  3.0074  -7.674799      5.250859 
1 1 1 8   20  18 o 39.155  2.2200  213.489   23.073    206.154   32.710    220.753   32.550    38.451  3.2052  39.859  3.0725  -1.408794      4.440059 
1 1 1 8   20  19 o 47.124  2.2230  309.524   27.765    348.835   39.947    272.784   38.619    50.117  2.9895  44.130  3.2909  5.986889       4.445965 
1 1 1 8   20  20 o 43.518  2.2472  265.530   25.985    258.866   37.269    271.835   36.250    42.931  3.2656  44.105  3.0880  -1.174900      4.494404 
1 1 1 8   20  21 o 32.281  2.3625  147.268   19.982    170.076   29.004    126.660   27.569    34.773  3.1481  29.789  3.5234  4.984034       4.724934 
1 1 1 8   20  22 o 26.845  2.7373  106.527   18.520    79.328    26.271    133.398   26.113    23.010  4.4233  30.680  3.2259  -7.670643      5.474680 
1 1 1 8   20  23 f 24.614  7.0069  106.011   48.413    106.011   48.413    0.0000    0.0000    24.614  7.0069  ?       ?       ?              ?        
1 1 1 8   20  24 o 9.0198  2.7111  2.3686    11.603    -3.3638   17.215    7.1400    15.706    8.4889  3.7737  9.5507  3.8936  -1.061841      5.422241 
1 1 1 8   21  0  o 74.983  2.1074  757.393   42.320    760.275   59.427    754.428   60.281    75.132  2.9530  74.835  3.0074  0.2973099      4.214850 
1 1 1 8   21  1  o 69.227  2.0567  645.580   38.125    623.699   53.553    668.066   54.287    68.033  2.9388  70.421  2.8781  -2.387039      4.113431 
1 1 1 8   21  2  o 66.082  2.0426  588.471   36.146    571.725   50.686    605.798   51.560    65.123  2.9058  67.041  2.8714  -1.917664      4.085166 
1 1 1 8   21  3  o 53.687  1.9626  389.133   28.158    375.533   39.701    402.898   39.943    52.700  2.8228  54.675  2.7275  -1.975079      3.925246 
1 1 1 8   21  4  o 35.792  1.9487  173.800   18.534    169.664   26.170    177.963   26.252    35.358  2.7859  36.227  2.7254  -0.8695641     3.897305 
1 1 1 8   21  5  o 101.621 2.5060  1400.73   68.202    1420.51   96.249    1380.77   96.656    102.353 3.5108  100.888 3.5769  1.465530       5.011932 
1 1 1 8   21  6  o 32.959  2.0191  147.864   17.612    159.585   25.120    136.533   24.700    34.270  2.7601  31.647  2.9478  2.622770       4.038221 
1 1 1 8   21  7  o 34.551  2.0040  162.409   18.381    159.934   25.879    164.929   26.112    34.282  2.8440  34.820  2.8241  -0.5384827     4.007991 
1 1 1 8   21  8  o 31.834  2.9114  138.274   24.550    138.274   24.550    0.0000    0.0000    31.834  2.9114  ?       ?       ?              ?        
1 1 1 8   21  9  o 21.695  3.2844  65.343    18.488    65.343    18.488    0.0000    0.0000    21.695  3.2844  ?       ?       ?              ?        
1 1 1 8   21  10 o 51.565  2.9322  361.886   40.330    0.0000    0.0000    361.886   40.330    ?       ?       51.565  2.9322  ?              ?        
1 1 1 8   21  11 o 64.308  3.0616  562.717   52.735    0.0000    0.0000    562.717   52.735    ?       ?       64.308  3.0616  ?              ?        
1 1 1 8   21  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   21  13 o 53.557  2.1546  393.825   30.715    370.028   43.793    416.865   43.091    51.909  3.1649  55.205  2.9246  -3.296173      4.309289 
1 1 1 8   21  14 o 16.668  2.8161  40.340    12.817    24.888    18.052    56.044    18.199    13.461  4.3735  19.875  3.5488  -6.414380      5.632163 
1 1 1 8   21  15 o 34.970  2.2558  170.290   20.783    152.449   29.473    187.933   29.310    33.056  3.3761  36.885  2.9926  -3.828514      4.511504 
1 1 1 8   21  16 o 9.9202  2.7466  7.7295    10.701    14.678    16.277    2.4401    14.201    11.189  4.1226  8.6519  3.6303  2.536679       5.493172 
1 1 1 8   21  17 o 28.923  2.4053  118.189   18.192    130.636   25.920    106.106   25.538    30.518  3.2195  27.328  3.5746  3.190466       4.810669 
1 1 1 8   21  18 o 22.638  2.7090  74.253    15.827    78.109    22.361    70.381    22.404    23.291  3.7087  21.985  3.9497  1.305832       5.417995 
1 1 1 8   21  19 o 16.074  2.9032  38.444    13.184    22.327    18.675    54.457    18.615    12.815  4.4498  19.332  3.7301  -6.516849      5.806413 
1 1 1 8   21  20 o 42.412  2.3336  254.306   26.220    237.988   37.533    269.860   36.645    40.973  3.4522  43.850  3.1408  -2.877670      4.667143 
1 1 1 8   21  21 o 37.641  2.4030  201.848   23.941    196.491   34.270    206.955   33.458    37.088  3.4909  38.193  3.3031  -1.104336      4.805915 
1 1 1 8   21  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   21  23 o 24.022  2.9433  87.563    18.190    98.926    26.090    76.815    25.373    25.731  3.9085  22.313  4.4018  3.417299       5.886589 
1 1 1 8   22  0  o 93.740  2.3237  1187.66   58.335    1158.97   81.913    1217.18   83.095    92.588  3.3030  94.893  3.2693  -2.305832      4.647361 
1 1 1 8   22  1  o 19.509  2.3169  52.847    11.676    51.602    16.491    54.098    16.534    19.266  3.3153  19.752  3.2374  -0.4860535     4.633781 
1 1 1 8   22  2  o 46.469  1.9366  292.309   23.994    286.679   33.758    298.058   34.110    46.013  2.7518  46.925  2.7256  -0.9121437     3.873163 
1 1 1 8   22  3  o 53.649  1.9787  389.293   28.301    354.980   39.612    425.072   40.449    51.175  2.9018  56.123  2.6908  -4.947102      3.957359 
1 1 1 8   22  4  o 60.212  2.0215  489.968   32.600    482.452   45.895    497.620   46.313    59.744  2.8680  60.680  2.8495  -0.9354706     4.042931 
1 1 1 8   22  5  o 21.465  2.3261  63.906    12.933    60.262    18.205    67.618    18.376    20.814  3.3815  22.115  3.1950  -1.301052      4.652113 
1 1 1 8   22  6  o 48.999  1.9990  325.919   26.124    328.308   36.960    323.535   36.930    49.182  2.8174  48.817  2.8366  0.3645401      3.997971 
1 1 1 8   22  7  o 45.075  2.8633  276.310   34.389    276.310   34.389    0.0000    0.0000    45.075  2.8633  ?       ?       ?              ?        
1 1 1 8   22  8  o 24.270  3.1428  81.358    19.951    81.358    19.951    0.0000    0.0000    24.270  3.1428  ?       ?       ?              ?        
1 1 1 8   22  9  o 45.379  4.7655  289.280   57.058    289.280   57.058    0.0000    0.0000    45.379  4.7655  ?       ?       ?              ?        
1 1 1 8   22  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   22  11 o 25.121  3.3214  87.907    21.800    0.0000    0.0000    87.907    21.800    ?       ?       25.121  3.3214  ?              ?        
1 1 1 8   22  12 o 29.831  2.3331  124.535   18.142    108.465   25.966    139.861   25.358    27.826  3.5659  31.835  3.0095  -4.008558      4.666177 
1 1 1 8   22  13 o 34.907  2.1922  168.813   20.235    181.995   28.753    155.878   28.483    36.309  2.9829  33.504  3.2134  2.805424       4.384435 
1 1 1 8   22  14 o 47.391  2.1738  311.106   27.411    296.562   38.971    325.345   38.560    46.244  3.1653  48.538  2.9804  -2.294128      4.347661 
1 1 1 8   22  15 o 27.151  2.5590  106.434   17.609    81.133    25.071    131.066   24.737    23.647  4.1073  30.655  3.0534  -7.007870      5.117933 
1 1 1 8   22  16 o 10.851  2.7125  9.3738    11.229    28.363    16.720    -6.2268   15.155    13.963  4.1595  7.7386  3.4827  6.224402       5.425041 
1 1 1 8   22  17 o 33.938  2.3650  162.783   21.036    139.623   29.408    187.052   30.104    31.324  3.5688  36.553  3.1042  -5.228985      4.729951 
1 1 1 8   22  18 o 43.073  2.2917  260.662   26.241    267.359   37.524    254.252   36.709    43.621  3.2346  42.526  3.2474  1.095749       4.583464 
1 1 1 8   22  19 o 26.621  2.6507  102.455   18.326    103.906   26.985    101.213   24.966    26.728  3.8829  26.513  3.6094  0.2147923      5.301362 
1 1 1 8   22  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   22  21 f 18.281  3.2109  51.972    15.647    50.786    22.673    53.050    21.620    18.021  4.6620  18.542  4.4164  -0.5203800     6.421736 
1 1 1 8   23  0  o 36.425  1.9484  180.182   18.850    170.818   26.550    189.699   26.766    35.453  2.8192  37.396  2.6902  -1.942673      3.896797 
1 1 1 8   23  1  o 32.224  1.9900  141.425   16.971    131.309   23.871    151.763   24.131    31.033  2.9057  33.416  2.7197  -2.383085      3.979921 
1 1 1 8   23  2  o 30.098  2.0331  123.534   16.164    114.696   22.571    132.838   23.158    28.970  2.9500  31.227  2.7984  -2.257507      4.066179 
1 1 1 8   23  3  o 28.532  2.1185  111.667   15.902    119.288   22.346    103.849   22.634    29.559  2.8581  27.506  3.1278  2.052715       4.236960 
1 1 1 8   23  4  o 25.509  2.2398  89.895    14.602    68.073    20.125    114.157   21.220    22.101  3.5175  28.916  2.7737  -6.815365      4.479568 
1 1 1 8   23  5  f 41.292  1.9977  232.206   21.941    243.250   31.016    221.144   31.041    42.297  2.7527  40.288  2.8959  2.008945       3.995463 
1 1 1 8   23  6  o 26.371  3.3286  118.131   19.691    144.614   23.679    58.764    35.453    32.553  2.7412  20.189  6.0666  12.36437       6.657147 
1 1 1 8   23  7  o 33.391  3.0278  152.923   26.785    152.923   26.785    0.0000    0.0000    33.391  3.0278  ?       ?       ?              ?        
1 1 1 8   23  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   23  9  o 11.717  4.0129  17.681    15.165    0.0000    0.0000    17.681    15.165    ?       ?       11.717  4.0129  ?              ?        
1 1 1 8   23  10 o 7.7182  3.3900  -2.9190   13.498    0.0000    0.0000    -2.9190   13.498    ?       ?       7.7182  3.3900  ?              ?        
1 1 1 8   23  11 o 43.374  2.4981  264.688   27.813    250.559   44.626    273.662   35.565    42.179  3.9977  44.568  2.9967  -2.388264      4.996202 
1 1 1 8   23  12 o 14.118  2.9694  28.342    12.145    34.082    17.660    23.191    16.729    15.292  4.1883  12.943  4.2103  2.348922       5.938785 
1 1 1 8   23  13 o 54.785  2.2122  416.531   32.326    415.148   45.662    417.921   45.770    54.692  3.1300  54.877  3.1269  -0.1846657     4.424300 
1 1 1 8   23  14 f 36.539  2.2895  187.209   22.080    206.825   31.433    168.101   31.023    38.523  3.0719  34.556  3.3956  3.966980       4.578904 
1 1 1 8   23  15 o 20.089  2.8895  59.271    15.012    57.129    20.845    61.580    21.638    19.704  4.0838  20.473  4.0890  -0.7690125     5.779065 
1 1 1 8   23  16 o 29.277  2.4997  122.017   19.182    129.777   27.570    114.738   26.705    30.221  3.4688  28.334  3.6001  1.887236       4.999338 
1 1 1 8   23  17 o 8.3751  2.6108  -2.8583   11.396    -3.2944   16.738    -2.4815   15.560    8.4821  3.7482  8.2682  3.6355  0.2138557      5.221633 
1 1 1 8   23  18 f 11.879  4.4977  16.802    19.645    16.802    19.645    0.0000    0.0000    11.879  4.4977  ?       ?       ?              ?        
1 1 1 8   23  19 o 16.645  3.2886  42.550    15.520    53.796    22.356    32.089    21.562    18.689  4.5163  14.601  4.7815  4.087882       6.577232 
1 1 1 8   23  20 o 28.728  2.7706  123.102   20.403    148.635   29.362    99.259    28.373    31.942  3.4886  25.513  4.3051  6.428896       5.541176 
1 1 1 8   24  0  f 75.409  2.1887  770.999   44.205    772.250   62.178    769.720   62.859    75.477  3.0756  75.342  3.1149  0.1354141      4.377450 
1 1 1 8   24  1  o 30.075  2.1009  124.250   16.565    141.109   23.473    107.523   23.381    32.180  2.7497  27.970  3.1772  4.210045       4.201851 
1 1 1 8   24  2  o 55.528  2.0320  419.034   30.114    423.087   42.366    414.896   42.814    55.808  2.8436  55.247  2.9034  0.5608101      4.063995 
1 1 1 8   24  3  o 44.774  1.9953  272.832   23.803    265.687   33.465    280.148   33.863    44.173  2.8436  45.375  2.8000  -1.201950      3.990685 
1 1 1 8   24  4  o 57.488  2.0641  449.534   31.706    429.189   44.500    470.510   45.185    56.114  2.9713  58.862  2.8660  -2.747673      4.128254 
1 1 1 8   24  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   24  6  o 45.574  4.9176  294.747   59.077    294.747   59.077    0.0000    0.0000    45.574  4.9176  ?       ?       ?              ?        
1 1 1 8   24  7  o 15.898  4.1037  36.429    17.593    36.429    17.593    0.0000    0.0000    15.898  4.1037  ?       ?       ?              ?        
1 1 1 8   24  8  o 34.670  3.1461  166.199   28.898    0.0000    0.0000    166.199   28.898    ?       ?       34.670  3.1461  ?              ?        
1 1 1 8   24  9  o 10.213  3.8963  10.622    14.813    0.0000    0.0000    10.622    14.813    ?       ?       10.213  3.8963  ?              ?        
1 1 1 8   24  10 o 24.863  2.9192  95.825    17.539    62.903    27.461    118.507   22.794    20.505  5.0365  29.220  2.9530  -8.714825      5.838324 
1 1 1 8   24  11 o 9.7645  2.5728  3.0173    10.802    22.961    15.461    -15.9991  15.097    12.769  4.0372  6.7601  3.1905  6.008832       5.145658 
1 1 1 8   24  12 o 9.3676  2.6214  3.0699    10.867    -11.4968  15.571    16.903    15.174    7.3085  3.3793  11.427  4.0085  -4.118186      5.242887 
1 1 1 8   24  13 o 13.807  3.0480  27.236    12.575    22.624    17.334    32.360    18.271    12.787  4.2907  14.826  4.3302  -2.038587      6.095939 
1 1 1 8   24  14 o 18.169  2.9567  48.569    15.138    21.226    20.815    79.268    22.056    12.855  4.6733  23.482  3.6232  -10.62700      5.913347 
1 1 1 8   24  15 o 34.557  2.3974  169.179   21.814    151.949   30.515    187.188   31.196    32.656  3.5456  36.458  3.2279  -3.801987      4.794849 
1 1 1 8   24  16 o 16.008  3.2222  37.617    14.851    25.690    20.043    52.135    22.114    13.480  4.6135  18.535  4.4996  -5.054609      6.444426 
1 1 1 8   24  17 f 18.900  3.4039  56.400    17.255    49.105    26.905    61.498    22.490    17.635  5.2816  20.164  4.2955  -2.529230      6.807856 
1 1 1 8   24  18 o 9.7811  2.7775  5.4022    12.117    -9.4774   18.008    17.712    16.380    8.0530  3.6909  11.509  4.1514  -3.456108      5.554924 
1 1 1 8   25  0  o 47.338  2.0268  305.855   25.476    336.228   36.038    275.517   36.017    49.740  2.7153  44.935  3.0099  4.805740       4.053687 
1 1 1 8   25  1  o 11.102  2.6552  14.911    10.000    23.344    13.641    5.1140    14.703    12.905  3.7336  9.2988  3.7764  3.605940       5.310483 
1 1 1 8   25  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   25  3  o 37.363  2.9907  191.459   29.679    0.0000    0.0000    191.459   29.679    ?       ?       37.363  2.9907  ?              ?        
1 1 1 8   25  4  o 20.331  2.5402  58.351    13.316    55.277    18.408    61.725    19.287    19.752  3.6126  20.910  3.5719  -1.158655      5.080330 
1 1 1 8   25  5  o 24.131  3.4867  81.732    21.882    81.732    21.882    0.0000    0.0000    24.131  3.4867  ?       ?       ?              ?        
1 1 1 8   25  6  o 7.3344  3.2821  -5.2190   13.252    -5.2190   13.252    0.0000    0.0000    7.3344  3.2821  ?       ?       ?              ?        
1 1 1 8   25  7  o 17.959  6.2422  45.695    36.755    45.695    36.755    0.0000    0.0000    17.959  6.2422  ?       ?       ?              ?        
1 1 1 8   25  8  f 33.053  3.1112  151.979   27.220    0.0000    0.0000    151.979   27.220    ?       ?       33.053  3.1112  ?              ?        
1 1 1 8   25  9  o 59.868  3.1302  497.325   50.019    0.0000    0.0000    497.325   50.019    ?       ?       59.868  3.1302  ?              ?        
1 1 1 8   25  10 o 38.532  2.2298  207.284   22.800    199.410   32.093    215.308   32.398    37.764  3.2030  39.300  3.1030  -1.535400      4.459576 
1 1 1 8   25  11 o 12.652  2.9907  21.528    12.233    29.244    17.372    13.939    17.228    14.158  4.2449  11.147  4.2140  3.011520       5.981379 
1 1 1 8   25  12 o 29.763  2.4534  126.122   19.017    108.822   26.730    143.854   27.062    27.545  3.7180  31.982  3.2022  -4.437105      4.906869 
1 1 1 8   25  13 o 14.357  2.8560  28.627    13.318    4.9248    19.143    50.864    18.542    10.095  4.2240  18.619  3.8453  -8.523970      5.712094 
1 1 1 8   25  14 o 32.709  2.5226  153.083   21.741    151.641   30.575    154.558   30.921    32.553  3.5649  32.864  3.5701  -0.3112640     5.045240 
1 1 1 8   25  15 o 19.123  4.5337  55.936    22.868    0.0000    0.0000    55.936    22.868    ?       ?       19.123  4.5337  ?              ?        
1 1 1 8   25  16 o 18.228  3.2532  51.753    15.873    52.569    21.838    50.838    23.113    18.443  4.4679  18.014  4.7298  0.4294548      6.506401 
1 1 1 8   26  0  o 36.834  2.0963  186.095   20.505    183.839   28.830    188.404   29.171    36.607  2.9658  37.062  2.9633  -0.4551315     4.192544 
1 1 1 8   26  1  o 10.375  2.7678  10.607    10.628    6.0528    14.668    15.641    15.422    9.4146  3.7898  11.335  4.0347  -1.920156      5.535529 
1 1 1 8   26  2  o 35.997  2.1144  178.605   20.154    191.487   28.481    165.685   28.524    37.346  2.8692  34.649  3.1065  2.696995       4.228790 
1 1 1 8   26  3  o 64.546  2.1621  571.834   37.345    593.481   52.473    549.615   53.162    65.825  2.9762  63.267  3.1371  2.557491       4.324279 
1 1 1 8   26  4  o 35.469  3.0422  173.991   28.622    173.991   28.622    0.0000    0.0000    35.469  3.0422  ?       ?       ?              ?        
1 1 1 8   26  5  o 31.815  3.1670  140.920   26.629    140.920   26.629    0.0000    0.0000    31.815  3.1670  ?       ?       ?              ?        
1 1 1 8   26  6  o 20.346  6.4968  63.893    39.962    63.893    39.962    0.0000    0.0000    20.346  6.4968  ?       ?       ?              ?        
1 1 1 8   26  7  o 18.994  4.0164  52.732    19.795    0.0000    0.0000    52.732    19.795    ?       ?       18.994  4.0164  ?              ?        
1 1 1 8   26  8  o 27.115  3.3591  103.925   23.875    0.0000    0.0000    103.925   23.875    ?       ?       27.115  3.3591  ?              ?        
1 1 1 8   26  9  o 34.142  2.3521  164.493   21.164    151.988   30.109    176.706   29.755    32.767  3.4841  35.518  3.1607  -2.751282      4.704143 
1 1 1 8   26  10 o 46.316  2.2584  300.385   27.827    288.433   39.327    312.368   39.378    45.348  3.2596  47.284  3.1269  -1.936035      4.516860 
1 1 1 8   26  11 o 31.056  2.4515  137.098   20.017    128.980   28.066    145.501   28.556    30.066  3.5538  32.046  3.3778  -1.979385      4.902965 
1 1 1 8   26  12 o 11.524  4.3765  15.317    18.635    15.317    18.635    0.0000    0.0000    11.524  4.3765  ?       ?       ?              ?        
1 1 1 8   26  13 o 13.383  3.3365  25.149    15.129    16.393    24.246    30.732    19.360    12.411  4.9135  14.355  4.5151  -1.943737      6.672954 
1 1 1 8   26  14 o 19.231  2.9887  57.192    15.980    91.633    22.978    24.931    22.239    25.096  3.5148  13.365  4.8347  11.73105       5.977321 
1 1 1 8   27  0  o 20.213  2.7353  59.290    14.177    37.079    19.630    83.511    20.498    15.976  4.4318  24.451  3.2073  -8.474624      5.470665 
1 1 1 8   27  1  o 31.763  2.2746  140.893   18.978    153.598   26.570    127.659   27.117    33.317  3.0099  30.209  3.4111  3.107662       4.549148 
1 1 1 8   27  2  o 13.803  2.9121  27.204    11.982    35.513    16.501    17.935    17.427    15.624  3.9428  11.983  4.2866  3.641644       5.824114 
1 1 1 8   27  3  o 33.445  2.7935  139.982   22.208    117.361   25.638    207.954   44.443    28.898  3.3759  37.992  4.4518  -9.093712      5.587082 
1 1 1 8   27  4  o 50.541  2.9940  353.800   40.349    353.800   40.349    0.0000    0.0000    50.541  2.9940  ?       ?       ?              ?        
1 1 1 8   27  5  f 21.925  3.9446  69.742    22.314    69.742    22.314    0.0000    0.0000    21.925  3.9446  ?       ?       ?              ?        
1 1 1 8   27  6  o 39.021  3.1574  212.845   32.718    0.0000    0.0000    212.845   32.718    ?       ?       39.021  3.1574  ?              ?        
1 1 1 8   27  7  o 49.702  3.1276  344.736   41.424    0.0000    0.0000    344.736   41.424    ?       ?       49.702  3.1276  ?              ?        
1 1 1 8   27  8  o 20.970  3.0782  63.578    16.529    77.281    26.067    54.363    21.377    22.820  4.4245  19.119  4.2808  3.700745       6.156418 
1 1 1 8   27  9  o 16.099  3.1052  38.572    14.173    50.987    20.232    26.607    19.862    18.507  4.1801  13.691  4.5930  4.816053       6.210374 
1 1 1 8   27  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   27  11 o 19.640  3.1262  58.787    16.124    69.070    22.913    48.700    22.693    21.511  4.1269  17.769  4.6969  3.742477       6.252369 
1 1 1 8   27  12 o 10.053  2.8525  7.1525    12.346    16.939    16.941    -3.9325   18.030    11.460  4.2084  8.6470  3.8518  2.812929       5.704999 
1 1 1 8   28  0  o 24.550  2.6331  87.662    16.313    108.708   22.854    65.801    23.293    27.888  3.1127  21.212  4.2478  6.675465       5.266205 
1 1 1 8   28  1  o 30.565  2.3382  131.887   18.707    143.422   26.008    119.522   26.926    32.070  3.0651  29.061  3.5318  3.008451       4.676361 
1 1 1 8   28  2  o 40.366  2.2223  227.927   23.759    241.208   33.072    213.762   34.154    41.671  2.9827  39.062  3.2952  2.608864       4.444647 
1 1 1 8   28  3  o 23.924  3.6338  82.000    22.553    82.000    22.553    0.0000    0.0000    23.924  3.6338  ?       ?       ?              ?        
1 1 1 8   28  4  o 36.850  3.1003  189.866   30.317    189.866   30.317    0.0000    0.0000    36.850  3.1003  ?       ?       ?              ?        
1 1 1 8   28  5  f 16.145  4.5638  38.981    20.613    0.0000    0.0000    38.981    20.613    ?       ?       16.145  4.5638  ?              ?        
1 1 1 8   28  6  o 12.768  4.5289  21.670    19.415    0.0000    0.0000    21.670    19.415    ?       ?       12.768  4.5289  ?              ?        
1 1 1 8   28  7  o 20.186  3.1856  61.244    16.972    79.762    24.658    44.575    23.395    23.279  4.1046  17.092  4.8727  6.186743       6.371133 
1 1 1 8   28  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   28  9  o 13.352  3.0162  23.544    13.671    42.280    19.371    4.9501    19.297    16.667  4.3079  10.038  4.2228  6.628987       6.032428 
1 1 1 8   28  10 o 24.634  2.7602  90.128    17.594    91.384    24.591    88.811    25.184    24.866  3.8140  24.402  3.9910  0.4633827      5.520372 
1 1 1 8   29  0  o 33.716  2.2479  160.193   19.912    177.337   27.878    142.338   28.450    35.688  2.9427  31.744  3.3989  3.943998       4.495795 
1 1 1 8   29  1  f 12.713  3.1474  19.915    13.431    11.798    17.749    30.788    20.543    10.864  4.2330  14.561  4.6590  -3.697177      6.294779 
1 1 1 8   29  2  o 16.022  4.3047  38.229    18.868    38.229    18.868    0.0000    0.0000    16.022  4.3047  ?       ?       ?              ?        
1 1 1 8   29  3  f 41.973  3.1628  246.944   35.296    246.944   35.296    0.0000    0.0000    41.973  3.1628  ?       ?       ?              ?        
1 1 1 8   29  4  o 39.672  3.2580  221.818   34.314    0.0000    0.0000    221.818   34.314    ?       ?       39.672  3.2580  ?              ?        
1 1 1 8   29  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   29  6  o 13.417  3.0389  23.685    13.868    42.454    19.597    4.8584    19.627    16.722  4.3382  10.112  4.2567  6.609565       6.077780 
1 1 1 8   29  7  o 32.116  2.4978  148.977   21.098    139.478   29.544    158.865   30.141    31.000  3.6266  33.232  3.4358  -2.231573      4.995682 
1 1 1 8   30  0  o 23.927  2.7562  84.124    16.865    92.109    22.969    74.785    24.841    25.386  3.4689  22.468  4.2841  2.917377       5.512403 
1 1 1 8   30  1  f 10.846  4.0501  13.815    15.811    13.815    15.811    0.0000    0.0000    10.846  4.0501  ?       ?       ?              ?        
1 1 1 8   30  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 8   30  3  o 31.221  3.6589  140.767   30.017    0.0000    0.0000    140.767   30.017    ?       ?       31.221  3.6589  ?              ?        
1 1 1 8   30  4  o 24.939  4.0511  92.369    26.132    0.0000    0.0000    92.369    26.132    ?       ?       24.939  4.0511  ?              ?        
1 1 1 8   30  5  o 23.300  2.9662  82.839    17.621    75.548    26.522    88.601    23.576    22.070  4.6341  24.530  3.7036  -2.460093      5.932302 
1 1 1 8   31  0  o 9.4415  3.8517  6.4698    15.384    6.4698    15.384    0.0000    0.0000    9.4415  3.8517  ?       ?       ?              ?        
1 1 1 8   31  1  o 17.776  4.2835  48.240    20.155    48.240    20.155    0.0000    0.0000    17.776  4.2835  ?       ?       ?              ?        
1 1 1 8   31  2  o 26.234  6.7448  121.255   47.656    0.0000    0.0000    121.255   47.656    ?       ?       26.234  6.7448  ?              ?        
1 1 1 9   -37 11 f 13.515  4.7520  31.976    21.330    0.0000    0.0000    31.976    21.330    ?       ?       13.515  4.7520  ?              ?        
1 1 1 9   -37 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -37 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -37 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -37 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -37 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -37 17 o 11.914  5.5210  5.9507    41.905    5.9507    41.905    0.0000    0.0000    11.914  5.5210  ?       ?       ?              ?        
1 1 1 9   -37 18 o 9.9484  4.4964  1.8300    25.577    1.8300    25.577    0.0000    0.0000    9.9484  4.4964  ?       ?       ?              ?        
1 1 1 9   -37 19 o 13.953  6.1380  37.622    44.404    37.622    44.404    0.0000    0.0000    13.953  6.1380  ?       ?       ?              ?        
1 1 1 9   -37 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -37 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -37 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -37 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -36 5  o 15.289  4.6966  40.095    21.087    0.0000    0.0000    40.095    21.087    ?       ?       15.289  4.6966  ?              ?        
1 1 1 9   -36 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -36 7  o 33.387  3.8909  173.118   34.142    173.118   34.142    0.0000    0.0000    33.387  3.8909  ?       ?       ?              ?        
1 1 1 9   -36 8  o 16.649  3.1185  47.907    14.720    31.825    23.086    58.924    19.107    13.886  4.9372  19.412  3.8109  -5.526241      6.236954 
1 1 1 9   -36 9  o 10.962  3.0957  13.878    13.388    19.111    21.741    10.682    16.991    11.872  4.6678  10.052  4.0674  1.820876       6.191319 
1 1 1 9   -36 10 o 8.0563  2.5049  -1.4365   10.860    -22.0166  20.249    6.8719    12.866    7.4073  3.5514  8.7052  3.5335  -1.297874      5.009825 
1 1 1 9   -36 11 o 13.113  3.3463  26.586    14.893    31.512    23.119    23.093    19.470    13.874  4.9399  12.351  4.5153  1.522723       6.692567 
1 1 1 9   -36 12 o 23.202  3.1230  86.119    18.621    98.207    28.027    76.567    24.914    24.693  4.3989  21.710  4.4343  2.982897       6.246035 
1 1 1 9   -36 13 o 22.809  3.1158  82.856    18.258    105.893   27.542    64.795    24.387    25.921  4.1036  19.697  4.6897  6.223627       6.231608 
1 1 1 9   -36 14 o 21.757  3.1798  77.273    17.843    79.512    26.647    75.454    24.024    21.876  4.6887  21.638  4.2966  0.2377148      6.359585 
1 1 1 9   -36 15 o 12.300  2.9868  19.363    14.843    -12.6072  23.046    42.025    19.403    8.6586  4.0401  15.941  4.4001  -7.282806      5.973512 
1 1 1 9   -36 16 o 15.849  3.5382  42.292    17.117    57.703    25.815    30.201    22.866    18.123  5.1020  13.575  4.9037  4.547906       7.076441 
1 1 1 9   -36 17 o 8.4649  2.7196  -6.3725   12.588    4.4808    21.917    -11.7151  15.377    9.9758  4.3521  6.9541  3.2626  3.021741       5.439259 
1 1 1 9   -36 18 o 15.224  3.4826  39.099    16.369    52.093    24.820    29.097    21.775    17.144  5.0583  13.305  4.7882  3.839428       6.965150 
1 1 1 9   -36 19 o 17.843  3.6122  56.259    18.061    64.667    27.392    49.793    24.022    18.925  5.2299  16.761  4.9840  2.164034       7.224442 
1 1 1 9   -36 20 o 13.989  3.5823  33.465    17.270    40.422    25.736    27.767    23.294    14.958  5.2220  13.020  4.9053  1.937929       7.164554 
1 1 1 9   -36 21 o 12.488  3.2177  23.661    15.584    3.4241    23.672    39.139    20.703    9.9985  4.4359  14.978  4.6623  -4.979998      6.435374 
1 1 1 9   -36 22 o 15.125  3.5552  40.510    16.982    53.661    25.776    30.426    22.573    16.964  5.1894  13.286  4.8610  3.678452       7.110469 
1 1 1 9   -36 23 o 12.582  3.4870  26.136    17.362    18.885    27.155    31.151    22.580    11.850  4.9987  13.314  4.8632  -1.463304      6.974057 
1 1 1 9   -36 24 o 12.801  3.5057  28.489    17.231    24.378    26.107    31.663    22.936    12.320  5.0209  13.283  4.8939  -0.9637356     7.011370 
1 1 1 9   -36 25 o 19.605  3.5604  71.192    19.462    100.216   29.333    48.369    26.012    23.599  4.8040  15.612  5.2561  7.986973       7.120718 
1 1 1 9   -36 26 o 10.146  3.1147  -1.1533   16.530    31.919    26.374    -22.5513  21.214    12.993  5.1306  7.2991  3.5330  5.693855       6.229416 
1 1 1 9   -36 27 f 9.8920  3.1126  2.8888    17.453    -15.5286  24.571    21.645    24.795    8.2630  3.9483  11.521  4.8129  -3.258026      6.225158 
1 1 1 9   -36 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -35 0  o 10.314  2.8900  9.7468    13.209    -8.8466   20.327    23.339    17.379    8.3911  3.8732  12.237  4.2902  -3.846302      5.779922 
1 1 1 9   -35 1  o 27.128  3.6951  112.592   26.151    0.0000    0.0000    112.592   26.151    ?       ?       27.128  3.6951  ?              ?        
1 1 1 9   -35 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -35 3  o 19.208  3.1942  61.647    16.393    46.097    24.480    74.290    22.072    16.486  5.0596  21.931  3.9004  -5.445829      6.388473 
1 1 1 9   -35 4  o 15.199  2.7570  37.027    14.057    1.3042    21.340    64.407    18.683    9.7102  4.2638  20.687  3.4963  -10.97724      5.513949 
1 1 1 9   -35 5  o 11.460  3.1246  16.950    13.484    16.185    20.739    17.511    17.748    11.520  4.5495  11.401  4.2843  0.1192503      6.249234 
1 1 1 9   -35 6  o 13.545  4.5611  -24.6908  11.166    28.648    19.588    -50.3673  13.590    13.545  4.5611  ?       ?       ?              ?        
1 1 1 9   -35 7  o 10.487  2.9005  12.861    11.355    10.747    20.193    13.838    13.732    10.702  4.3949  10.272  3.7864  0.4298429      5.801002 
1 1 1 9   -35 8  o 23.611  2.9111  85.139    17.614    104.045   26.359    69.886    23.676    26.170  3.8777  21.052  4.3429  5.117937       5.822153 
1 1 1 9   -35 9  f 30.858  2.5044  141.469   20.293    140.936   29.410    141.953   28.037    30.713  3.6462  31.002  3.4340  -0.2887611     5.008735 
1 1 1 9   -35 10 o 8.8224  2.6393  3.7887    10.810    -5.9990   18.694    8.7066    13.251    8.4399  3.8266  9.2050  3.6361  -0.7651043     5.278677 
1 1 1 9   -35 11 o 7.5952  2.4855  -10.5297  11.036    -2.3966   19.408    -14.4157  13.416    8.9639  3.9944  6.2265  2.9589  2.737356       4.970992 
1 1 1 9   -35 12 o 22.218  2.9867  76.294    17.051    89.575    25.669    65.807    22.811    24.031  4.1372  20.405  4.3088  3.625374       5.973455 
1 1 1 9   -35 13 o 22.561  2.9524  80.394    16.978    72.095    25.538    86.967    22.727    21.109  4.6431  24.014  3.6482  -2.904922      5.904878 
1 1 1 9   -35 14 o 15.835  3.3558  39.278    15.695    56.911    24.170    26.423    20.638    18.538  4.8221  13.131  4.6682  5.406456       6.711531 
1 1 1 9   -35 15 o 37.377  2.4066  206.639   23.801    219.411   34.150    194.574   33.191    38.572  3.3384  36.182  3.4672  2.389397       4.813152 
1 1 1 9   -35 16 o 13.121  3.3703  26.331    15.613    18.640    23.588    32.327    20.827    12.104  4.8291  14.139  4.7027  -2.035408      6.740580 
1 1 1 9   -35 17 o 17.134  3.3866  49.428    16.171    45.650    24.410    52.383    21.588    16.367  5.0572  17.902  4.5056  -1.534494      6.773164 
1 1 1 9   -35 18 o 11.336  3.1798  14.201    14.352    24.696    22.493    6.9950    18.639    12.833  4.8231  9.8380  4.1451  2.995438       6.359522 
1 1 1 9   -35 19 o 9.0392  2.8150  -3.4430   12.940    11.926    21.600    -12.0467  16.162    10.908  4.5189  7.1706  3.3580  3.737329       5.629941 
1 1 1 9   -35 20 o 10.760  3.1390  6.7781    15.121    26.081    23.682    -6.5089   19.648    13.030  4.9371  8.4907  3.8779  4.539268       6.277985 
1 1 1 9   -35 21 o 15.703  3.5440  42.505    16.702    44.826    25.486    40.758    22.112    15.952  5.1972  15.453  4.8197  0.4983454      7.087992 
1 1 1 9   -35 22 o 9.2964  2.9681  -4.4666   15.503    5.9197    24.240    -11.6557  20.167    10.480  4.5745  8.1124  3.7832  2.368020       5.936216 
1 1 1 9   -35 23 o 16.605  3.5974  49.450    18.460    32.504    26.623    65.142    25.619    13.870  5.2397  19.340  4.9306  -5.469888      7.194846 
1 1 1 9   -35 24 o 17.007  3.5836  52.083    17.535    51.079    26.059    52.914    23.705    16.701  5.2359  17.313  4.8942  -0.6119041     7.167193 
1 1 1 9   -35 25 o 8.6617  2.8153  -6.7271   15.072    -15.6935  23.495    -0.4578   19.646    8.3859  3.9645  8.9376  3.9981  -0.5516911     5.630517 
1 1 1 9   -35 26 o 12.095  3.4419  20.128    17.427    33.648    25.950    9.0211    23.520    13.716  5.1751  10.474  4.5393  3.242361       6.883832 
1 1 1 9   -35 27 o 23.723  3.5326  101.191   21.736    113.270   31.658    90.418    29.897    25.292  4.8495  22.155  5.1379  3.137768       7.065123 
1 1 1 9   -35 28 o 15.613  3.6731  46.300    18.590    65.257    27.738    30.841    25.048    18.189  5.3420  13.038  5.0428  5.150928       7.346220 
1 1 1 9   -35 29 o 25.518  3.4560  119.965   22.638    150.933   32.631    91.228    31.433    29.722  4.2170  21.314  5.4765  8.408051       6.911962 
1 1 1 9   -35 30 o 23.539  3.7939  110.500   23.475    130.844   34.560    93.074    31.986    26.028  5.1397  21.051  5.5819  4.976927       7.587790 
1 1 1 9   -35 31 o 11.519  3.5321  19.419    24.267    40.030    26.151    -108.3163 65.103    13.578  5.1777  9.4602  4.8056  4.117936       7.064206 
1 1 1 9   -35 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -34 0  o 16.932  3.2628  46.841    15.389    38.785    22.791    53.593    20.863    15.440  4.9037  18.423  4.3053  -2.983007      6.525541 
1 1 1 9   -34 1  o 14.603  3.0882  30.200    14.051    53.428    21.585    13.120    18.509    18.353  4.4393  10.853  4.2941  7.499941       6.176318 
1 1 1 9   -34 2  o 23.663  2.8496  83.402    17.151    111.062   26.208    62.686    22.681    27.317  3.6751  20.008  4.3559  7.309723       5.699198 
1 1 1 9   -34 3  o 21.499  3.0068  71.988    16.594    66.847    24.786    76.164    22.339    20.528  4.6195  22.470  3.8502  -1.942593      6.013607 
1 1 1 9   -34 4  o 15.424  3.1527  38.116    14.198    27.108    21.405    46.763    18.972    13.479  4.7582  17.368  4.1373  -3.889316      6.305379 
1 1 1 9   -34 5  o 12.749  3.1774  23.764    13.531    20.596    20.569    26.181    17.965    12.333  4.6166  13.165  4.3670  -0.8327026     6.354845 
1 1 1 9   -34 6  o 15.453  2.8996  39.410    13.650    14.312    21.610    56.072    17.607    11.503  4.6108  19.403  3.5175  -7.899561      5.799297 
1 1 1 9   -34 7  o 23.846  2.7440  84.890    16.824    99.681    25.036    72.712    22.717    25.858  3.7220  21.834  4.0331  4.023930       5.488071 
1 1 1 9   -34 8  o 19.657  2.9952  60.477    15.226    55.600    22.919    64.330    20.371    18.687  4.6080  20.628  3.8278  -1.941225      5.990446 
1 1 1 9   -34 9  o 34.965  2.3235  177.106   21.477    188.955   31.160    166.384   29.642    36.107  3.2570  33.823  3.3146  2.284000       4.647039 
1 1 1 9   -34 10 o 16.301  3.1118  42.847    14.159    33.038    21.567    50.277    18.770    14.511  4.7835  18.092  3.9814  -3.580922      6.223636 
1 1 1 9   -34 11 o 20.342  3.1264  64.253    16.749    88.689    24.900    44.060    22.635    24.172  3.9847  16.512  4.8188  7.660223       6.252877 
1 1 1 9   -34 12 o 39.253  2.3087  223.487   24.046    225.917   34.489    221.187   33.543    39.434  3.2955  39.072  3.2342  0.3614807      4.617452 
1 1 1 9   -34 13 o 19.616  2.9580  57.375    15.526    95.198    24.056    30.372    20.326    25.256  3.6629  13.975  4.6456  11.28092       5.915929 
1 1 1 9   -34 14 o 12.879  2.7136  21.317    13.426    -14.4095  20.671    47.385    17.657    8.1783  3.8194  17.580  3.8559  -9.401671      5.427296 
1 1 1 9   -34 15 o 15.657  3.3409  39.715    15.179    37.417    22.868    41.525    20.293    15.212  4.9207  16.101  4.5202  -0.8885727     6.681735 
1 1 1 9   -34 16 o 16.144  3.2868  40.926    15.127    54.180    23.031    30.870    20.060    18.279  4.6830  14.008  4.6132  4.271030       6.573545 
1 1 1 9   -34 17 o 15.840  3.3211  39.339    15.936    58.503    23.473    22.954    21.704    19.001  4.6501  12.678  4.7431  6.322108       6.642267 
1 1 1 9   -34 18 o 15.929  3.2979  42.119    16.426    20.276    24.635    59.602    22.040    12.505  4.9521  19.353  4.3567  -6.848049      6.595770 
1 1 1 9   -34 19 o 17.810  3.4695  53.452    17.434    41.952    25.214    63.987    24.133    15.788  5.1706  19.832  4.6276  -4.044647      6.938979 
1 1 1 9   -34 20 o 11.635  3.1313  17.482    14.465    1.1341    23.502    27.451    18.353    10.051  4.4415  13.220  4.4152  -3.168720      6.262635 
1 1 1 9   -34 21 o 10.980  3.0556  10.227    15.001    -13.1147  22.778    28.104    19.934    8.6337  4.0244  13.327  4.5991  -4.693439      6.111266 
1 1 1 9   -34 22 o 23.172  3.2553  89.977    19.332    69.361    28.563    107.403   26.261    19.934  5.2696  26.410  3.8236  -6.476641      6.510672 
1 1 1 9   -34 23 o 15.722  3.1794  42.031    16.267    13.619    24.607    64.087    21.681    11.449  4.7897  19.996  4.1824  -8.546983      6.358768 
1 1 1 9   -34 24 o 14.955  3.4558  37.992    17.027    21.288    24.870    52.729    23.360    12.373  4.9509  17.538  4.8226  -5.165192      6.911525 
1 1 1 9   -34 25 o 16.573  3.5581  49.347    18.597    28.139    27.623    66.928    25.150    13.356  5.2582  19.789  4.7951  -6.433153      7.116285 
1 1 1 9   -34 26 o 34.100  2.7775  183.563   24.734    169.469   35.648    196.646   34.346    32.480  4.1958  35.721  3.6406  -3.241871      5.555038 
1 1 1 9   -34 27 o 16.952  3.6672  51.196    18.671    69.765    27.976    36.281    25.073    19.589  5.2327  14.314  5.1393  5.275036       7.334440 
1 1 1 9   -34 28 o 12.985  3.3519  20.722    17.478    52.758    25.995    -5.7107   23.612    16.827  5.2221  9.1427  4.2036  7.684526       6.703777 
1 1 1 9   -34 29 o 22.687  3.7589  97.551    22.649    81.315    33.437    111.315   30.787    20.040  5.8593  25.335  4.7103  -5.295229      7.517837 
1 1 1 9   -34 30 o 17.546  3.7277  57.343    20.663    93.252    31.303    29.613    27.508    22.127  5.3423  12.965  5.2002  9.162239       7.455301 
1 1 1 9   -34 31 o 25.938  3.4746  124.335   23.047    105.811   33.642    140.717   31.637    23.129  5.5092  28.747  4.2356  -5.618542      6.949219 
1 1 1 9   -34 32 o 10.922  3.2765  10.805    17.718    35.238    26.340    -9.3870   23.946    13.264  5.1598  8.5792  4.0396  4.684812       6.552997 
1 1 1 9   -34 33 o 10.415  3.2661  5.9881    19.195    31.608    27.913    -16.9961  26.438    12.482  5.1511  8.3483  4.0168  4.133296       6.532127 
1 1 1 9   -34 34 o 21.286  5.8834  107.494   34.662    107.494   34.662    0.0000    0.0000    21.286  5.8834  ?       ?       ?              ?        
1 1 1 9   -33 0  o 15.583  3.0865  38.126    13.945    25.307    20.322    49.532    19.170    13.180  4.6380  17.987  4.0737  -4.806900      6.173029 
1 1 1 9   -33 1  o 22.268  2.8037  75.229    16.011    66.647    23.201    83.032    22.123    20.807  4.3049  23.729  3.5933  -2.921360      5.607459 
1 1 1 9   -33 2  o 13.518  2.9420  23.953    12.768    45.523    19.630    8.1342    16.811    17.140  4.2868  9.8955  4.0305  7.244252       5.884029 
1 1 1 9   -33 3  o 19.045  3.0417  57.595    15.292    42.306    22.721    70.255    20.675    16.331  4.8452  21.758  3.6787  -5.427347      6.083461 
1 1 1 9   -33 4  o 8.3634  2.5275  0.4916    10.486    -13.3970  17.699    8.0020    13.016    7.6003  3.5443  9.1266  3.6042  -1.526317      5.054932 
1 1 1 9   -33 5  o 23.822  2.6172  83.750    16.125    86.465    23.681    81.402    22.018    24.136  3.7878  23.507  3.6125  0.6283398      5.234329 
1 1 1 9   -33 6  o 24.197  2.8693  90.615    17.401    66.889    25.546    111.151   23.767    20.637  4.7237  27.758  3.2587  -7.121120      5.738647 
1 1 1 9   -33 7  o 18.542  3.0661  54.022    15.001    44.582    22.544    61.523    20.096    16.808  4.7803  20.276  3.8410  -3.467476      6.132193 
1 1 1 9   -33 8  o 35.525  2.2655  180.277   21.281    196.093   30.890    165.988   29.361    37.057  3.1417  33.993  3.2649  3.064835       4.531012 
1 1 1 9   -33 9  o 21.739  2.8007  70.245    15.564    91.934    23.094    52.197    21.067    25.079  3.5361  18.400  4.3443  6.679279       5.601497 
1 1 1 9   -33 10 o 19.653  3.0186  60.509    15.431    47.933    23.050    70.721    20.772    17.430  4.7896  21.877  3.6752  -4.447008      6.037161 
1 1 1 9   -33 11 o 19.678  3.0105  60.006    15.392    51.086    22.705    67.592    20.938    18.049  4.6633  21.307  3.8086  -3.257816      6.020936 
1 1 1 9   -33 12 o 19.178  3.0472  57.527    15.368    44.949    22.484    68.555    21.054    16.894  4.7632  21.461  3.8018  -4.566814      6.094434 
1 1 1 9   -33 13 o 13.730  3.2045  28.024    14.386    15.656    21.557    37.953    19.316    11.803  4.6456  15.658  4.4150  -3.854597      6.408917 
1 1 1 9   -33 14 o 46.050  2.2654  303.188   27.767    298.891   39.021    307.596   39.520    45.715  3.2071  46.384  3.2006  -0.6692429     4.530898 
1 1 1 9   -33 15 o 16.707  3.2929  41.817    15.957    63.742    24.234    25.034    21.201    20.196  4.5846  13.218  4.7281  6.977906       6.585838 
1 1 1 9   -33 16 o 7.7351  2.5247  -9.9812   11.339    -5.4203   19.851    -12.1901  13.815    8.8672  3.9887  6.6031  3.0962  2.264086       5.049384 
1 1 1 9   -33 17 o 9.8068  2.9767  3.0707    13.975    5.5406    20.847    1.0548    18.833    10.277  4.3597  9.3369  4.0543  0.9398508      5.953483 
1 1 1 9   -33 18 o 11.056  3.1285  12.695    14.108    7.8542    21.721    16.226    18.554    10.692  4.4882  11.420  4.3597  -0.7274857     6.257061 
1 1 1 9   -33 19 o 23.318  3.0524  83.749    18.332    92.194    26.874    76.401    25.070    24.482  4.2525  22.155  4.3800  2.327662       6.104781 
1 1 1 9   -33 20 o 31.854  2.6677  151.817   21.884    183.649   31.450    121.937   30.471    35.467  3.3502  28.240  4.1523  7.227203       5.335343 
1 1 1 9   -33 21 o 15.776  3.4151  40.785    15.939    34.871    23.744    45.637    21.506    14.749  5.0215  16.802  4.6301  -2.053521      6.830295 
1 1 1 9   -33 22 o 17.347  3.1751  50.774    16.535    21.977    24.802    73.814    22.185    12.764  4.9953  21.930  3.9207  -9.165963      6.350228 
1 1 1 9   -33 23 o 20.589  3.3072  69.196    17.813    67.801    25.753    70.476    24.666    20.272  4.8144  20.905  4.5355  -0.6327686     6.614327 
1 1 1 9   -33 24 o 15.278  3.5213  38.140    16.912    51.105    24.915    27.062    23.030    17.296  5.0580  13.260  4.9005  4.035789       7.042618 
1 1 1 9   -33 25 o 9.5762  2.8919  -2.4885   14.996    -30.2662  22.835    18.578    19.886    7.4937  3.6365  11.659  4.4977  -4.164977      5.783878 
1 1 1 9   -33 26 o 14.781  3.5963  37.034    17.133    41.357    25.910    33.676    22.838    15.377  5.2455  14.184  4.9211  1.192353       7.192517 
1 1 1 9   -33 27 o 17.502  2.9720  49.056    17.906    -1.2035   25.475    98.134    25.174    9.9814  4.5016  25.023  3.8817  -15.04176      5.944042 
1 1 1 9   -33 28 o 13.887  3.6090  32.955    17.665    30.455    25.363    35.310    24.618    13.522  5.1128  14.252  5.0951  -0.7298985     7.218094 
1 1 1 9   -33 29 o 16.450  3.5035  48.690    18.424    24.803    26.628    70.630    25.520    12.722  5.1115  20.179  4.7929  -7.456476      7.007084 
1 1 1 9   -33 30 o 10.195  3.1049  5.8828    16.184    -10.0681  24.606    18.043    21.485    8.9735  4.1829  11.416  4.5898  -2.442861      6.209891 
1 1 1 9   -33 31 o 29.374  3.0784  144.713   23.282    131.449   33.570    157.006   32.318    27.576  4.7143  31.172  3.9600  -3.595942      6.156761 
1 1 1 9   -33 32 o 10.339  3.2141  5.0200    18.271    -15.6446  28.059    20.230    24.073    9.0073  4.2800  11.670  4.7961  -2.662302      6.428159 
1 1 1 9   -33 33 f 9.7924  3.1291  2.2636    17.557    9.9673    25.585    -4.5924   24.136    10.517  4.6414  9.0678  4.1979  1.449157       6.258169 
1 1 1 9   -33 34 o 8.3360  2.7935  -12.3042  16.680    -6.9470   24.103    -17.2269  23.105    8.7627  4.1027  7.9093  3.7925  0.8533993      5.587010 
1 1 1 9   -33 35 o 8.4704  2.8343  -10.4900  17.232    -20.9065  24.460    -0.2265   24.279    7.8033  3.7812  9.1375  4.2232  -1.334180      5.668592 
1 1 1 9   -33 36 o 7.7576  3.7771  -21.0914  25.194    -21.0914  25.194    0.0000    0.0000    7.7576  3.7771  ?       ?       ?              ?        
1 1 1 9   -32 0  o 10.400  2.5470  9.3755    10.878    -14.6615  16.532    27.732    14.447    7.1974  3.3787  13.603  3.8122  -6.405542      5.093955 
1 1 1 9   -32 1  o 23.130  2.5810  78.183    15.429    85.010    22.629    72.252    21.092    24.104  3.6165  22.156  3.6835  1.948786       5.162087 
1 1 1 9   -32 2  o 11.743  2.9255  18.136    12.143    6.4083    18.623    26.810    16.017    10.071  4.1859  13.415  4.0881  -3.344940      5.850994 
1 1 1 9   -32 3  o 23.974  2.6570  85.036    16.309    77.707    24.220    91.116    22.060    22.801  4.1175  25.147  3.3592  -2.346317      5.313908 
1 1 1 9   -32 4  o 50.323  2.1470  356.519   28.795    369.571   41.179    344.030   40.280    51.245  3.0133  49.401  3.0593  1.844299       4.294098 
1 1 1 9   -32 5  f 42.996  2.1646  260.468   24.747    262.838   35.750    258.287   34.290    43.148  3.1143  42.845  3.0071  0.3026619      4.329142 
1 1 1 9   -32 6  o 14.512  3.1000  31.110    12.875    34.078    20.339    29.125    16.632    15.034  4.6115  13.991  4.1442  1.042881       6.200039 
1 1 1 9   -32 7  o 24.119  2.5529  84.265    15.943    84.703    23.414    83.887    21.768    24.111  3.7473  24.128  3.4680  -0.1696396E-01 5.105792 
1 1 1 9   -32 8  o 33.388  2.3217  158.533   20.439    153.263   29.605    163.333   28.252    32.772  3.4231  34.004  3.1373  -1.232502      4.643336 
1 1 1 9   -32 9  o 14.920  2.9528  33.992    13.142    17.438    19.870    46.866    17.523    12.024  4.5303  17.817  3.7884  -5.793523      5.905573 
1 1 1 9   -32 10 o 18.661  3.1310  52.568    15.356    54.213    22.913    51.227    20.690    18.866  4.5802  18.455  4.2702  0.4111042      6.262022 
1 1 1 9   -32 11 o 22.348  4.4417  75.049    25.651    0.0000    0.0000    75.049    25.651    ?       ?       22.348  4.4417  ?              ?        
1 1 1 9   -32 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -32 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -32 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -32 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -32 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -32 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -32 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -32 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -32 20 o 11.945  4.6614  16.448    21.549    0.0000    0.0000    16.448    21.549    ?       ?       11.945  4.6614  ?              ?        
1 1 1 9   -32 21 o 25.259  2.9255  98.642    18.552    74.824    27.211    119.329   25.359    21.813  4.7887  28.705  3.3620  -6.892271      5.851046 
1 1 1 9   -32 22 o 10.648  3.1491  7.5485    14.815    11.249    23.190    4.9971    19.256    11.380  4.6957  9.9164  4.1975  1.463465       6.298291 
1 1 1 9   -32 23 o 19.868  3.2221  65.166    17.305    40.308    25.700    85.785    23.406    15.797  5.2224  23.940  3.7753  -8.143692      6.444114 
1 1 1 9   -32 24 o 26.032  2.9877  106.445   19.173    151.941   27.614    64.099    26.641    32.322  3.2330  19.742  5.0253  12.58047       5.975482 
1 1 1 9   -32 25 o 15.354  3.2432  37.788    16.479    11.132    24.666    59.277    22.147    11.394  4.7828  19.314  4.3816  -7.919949      6.486458 
1 1 1 9   -32 26 o 15.726  3.5651  41.045    17.026    47.564    25.111    35.499    23.163    16.736  5.1224  14.716  4.9599  2.020511       7.130229 
1 1 1 9   -32 27 o 23.402  3.1718  88.585    19.056    116.632   27.676    63.304    26.276    27.540  3.8577  19.264  5.0358  8.276039       6.343583 
1 1 1 9   -32 28 o 19.134  3.4123  63.532    17.960    46.798    26.343    78.066    24.550    16.268  5.2830  22.000  4.3203  -5.731943      6.824643 
1 1 1 9   -32 29 o 18.937  3.4308  63.550    18.523    39.574    26.887    85.208    25.554    14.970  5.3276  22.903  4.3241  -7.932249      6.861591 
1 1 1 9   -32 30 f 12.611  3.3624  20.452    17.178    43.233    24.645    -1.0772   23.958    15.534  5.1131  9.6894  4.3681  5.844208       6.724858 
1 1 1 9   -32 31 o 12.777  3.3207  20.331    17.275    48.855    24.905    -6.1190   23.982    16.352  5.1175  9.2023  4.2330  7.149500       6.641304 
1 1 1 9   -32 32 o 12.728  3.4893  24.633    17.281    38.667    26.038    13.587    23.102    14.490  5.2330  10.965  4.6171  3.524477       6.978691 
1 1 1 9   -32 33 o 9.4366  2.9977  -0.3268   16.132    -10.5694  23.699    8.5172    22.022    8.6995  4.0715  10.174  4.4008  -1.474136      5.995352 
1 1 1 9   -32 34 o 29.745  3.0539  150.191   23.612    154.875   33.650    145.648   33.140    30.275  4.2681  29.216  4.3691  1.059032       6.107810 
1 1 1 9   -32 35 o 14.497  3.7805  43.427    19.451    39.023    27.550    47.804    27.465    13.868  5.3081  15.127  5.3844  -1.259240      7.560953 
1 1 1 9   -32 36 f 11.633  3.4357  21.417    18.822    4.8146    27.309    36.441    25.979    9.9862  4.5652  13.279  5.1358  -3.293328      6.871477 
1 1 1 9   -32 37 f 11.359  3.4364  23.472    18.589    21.932    26.029    25.075    26.557    11.187  4.8117  11.532  4.9074  -0.3450394     6.872770 
1 1 1 9   -32 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -31 0  o 10.677  2.8296  7.8042    12.031    26.208    18.204    -6.4680   16.031    13.448  4.3930  7.9060  3.5678  5.541695       5.659275 
1 1 1 9   -31 1  o 33.476  2.2352  158.725   19.695    143.562   28.092    173.383   27.620    31.782  3.3505  35.170  2.9595  -3.387852      4.470420 
1 1 1 9   -31 2  o 14.075  2.8439  27.193    12.155    45.281    18.049    12.179    16.444    17.490  3.9466  10.660  4.0959  6.830203       5.687893 
1 1 1 9   -31 3  o 9.0490  2.6803  3.4800    10.834    2.6548    16.626    4.0890    14.284    9.2269  3.9027  8.8711  3.6749  0.3558254      5.360574 
1 1 1 9   -31 4  o 34.349  2.7029  168.687   22.959    169.856   39.625    168.097   28.170    34.048  4.4516  34.650  3.0669  -0.6023483     5.405837 
1 1 1 9   -31 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -31 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -31 7  o 25.558  3.7287  93.654    24.774    93.654    24.774    0.0000    0.0000    25.558  3.7287  ?       ?       ?              ?        
1 1 1 9   -31 8  o 21.516  2.6967  67.416    14.868    62.359    21.996    71.670    20.175    20.624  4.1259  22.409  3.4736  -1.785734      5.393450 
1 1 1 9   -31 9  o 32.627  2.2472  148.943   19.379    155.344   27.874    142.954   26.962    33.318  3.1613  31.937  3.1948  1.381620       4.494461 
1 1 1 9   -31 10 o 41.170  2.1776  236.409   23.664    270.683   33.849    203.643   33.096    44.209  2.8742  38.131  3.2722  6.077965       4.355231 
1 1 1 9   -31 11 o 19.540  2.9692  55.504    15.042    65.496    22.601    47.559    20.154    21.152  4.1374  17.927  4.2599  3.224752       5.938466 
1 1 1 9   -31 12 o 9.2241  2.7694  2.1736    11.726    0.8796    18.632    3.0224    15.090    9.5073  4.0796  8.9409  3.7464  0.5663357      5.538844 
1 1 1 9   -31 13 o 15.083  3.1256  32.604    13.508    41.646    20.412    25.560    18.016    16.724  4.4707  13.443  4.3692  3.281545       6.251172 
1 1 1 9   -31 14 o 11.674  2.7943  16.362    12.031    -4.3941   18.991    30.277    15.550    8.9692  3.9765  14.379  3.9267  -5.409974      5.588500 
1 1 1 9   -31 15 o 19.089  3.0498  53.194    15.354    70.798    22.955    38.940    20.656    22.019  4.0410  16.159  4.5688  5.860546       6.099506 
1 1 1 9   -31 16 f 35.776  2.3333  180.233   22.030    197.512   31.408    163.499   30.908    37.552  3.1517  34.000  3.4414  3.551922       4.666512 
1 1 1 9   -31 17 o 46.370  2.1706  300.272   26.792    287.805   37.736    312.944   38.044    45.361  3.1250  47.378  3.0135  -2.017162      4.341281 
1 1 1 9   -31 18 o 13.214  3.3179  23.184    15.026    15.725    21.987    29.720    20.582    12.112  4.7136  14.315  4.6708  -2.203057      6.635798 
1 1 1 9   -31 19 o 36.609  2.3321  190.049   22.526    204.512   31.515    174.941   32.210    38.152  3.1111  35.066  3.4751  3.086102       4.664211 
1 1 1 9   -31 20 o 13.614  3.2490  25.482    14.336    35.149    21.029    17.090    19.594    15.291  4.6889  11.937  4.4986  3.353852       6.497912 
1 1 1 9   -31 21 o 13.104  3.2744  23.037    14.966    11.496    22.301    32.493    20.186    11.479  4.6546  14.730  4.6068  -3.250994      6.548883 
1 1 1 9   -31 22 o 16.516  3.0787  42.513    15.626    14.114    23.269    65.837    21.088    11.939  4.7848  21.093  3.8753  -9.153831      6.157338 
1 1 1 9   -31 23 o 31.482  3.5687  143.582   29.561    143.582   29.561    0.0000    0.0000    31.482  3.5687  ?       ?       ?              ?        
1 1 1 9   -31 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -31 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -31 26 o 47.385  2.2865  324.490   28.768    306.076   41.206    342.000   40.182    45.917  3.3740  48.853  3.0867  -2.935925      4.572963 
1 1 1 9   -31 27 o 24.634  3.0522  93.073    19.088    126.815   28.637    66.095    25.606    29.081  3.7648  20.186  4.8052  8.895512       6.104446 
1 1 1 9   -31 28 o 8.7136  2.7948  -6.7584   14.320    -14.7961  21.119    0.0827    19.484    8.1985  3.8391  9.2287  4.0627  -1.030200      5.589651 
1 1 1 9   -31 29 o 12.716  3.4071  23.349    16.253    15.646    23.552    30.354    22.458    11.670  4.7639  13.762  4.8722  -2.092415      6.814152 
1 1 1 9   -31 30 o 10.209  3.0424  1.7456    15.691    -19.9893  22.402    22.678    21.984    8.0080  3.8108  12.409  4.7437  -4.401241      6.084768 
1 1 1 9   -31 31 o 12.312  3.4318  22.004    16.656    21.514    24.069    22.455    23.071    12.281  4.8849  12.343  4.8214  -0.6216431E-01 6.863587 
1 1 1 9   -31 32 o 9.9840  2.9223  -0.8105   15.570    -37.7103  23.923    26.302    20.507    7.2421  3.5583  12.726  4.6367  -5.483715      5.844654 
1 1 1 9   -31 33 o 11.525  3.3549  17.456    16.735    14.802    24.287    19.856    23.092    11.261  4.7374  11.788  4.7517  -0.5276442     6.709840 
1 1 1 9   -31 34 o 13.541  3.5748  31.923    17.601    41.022    25.678    23.859    24.173    14.789  5.2125  12.292  4.8935  2.497678       7.149560 
1 1 1 9   -31 35 f 17.353  3.6371  58.064    18.958    41.239    27.110    74.166    26.521    14.575  5.3280  20.131  4.9525  -5.555910      7.274213 
1 1 1 9   -31 36 o 12.747  3.4465  25.903    18.109    3.7788    25.535    48.291    25.686    9.9603  4.4981  15.534  5.2231  -5.573693      6.893028 
1 1 1 9   -31 37 o 18.613  3.8270  72.664    21.097    95.089    30.571    52.272    29.152    21.850  5.2819  15.377  5.5395  6.473098       7.654065 
1 1 1 9   -31 38 o 10.031  3.2076  7.8434    18.617    -0.3691   26.491    15.857    26.169    9.3673  4.3576  10.694  4.7080  -1.326689      6.415133 
1 1 1 9   -31 39 o 19.955  4.7046  128.247   30.743    120.783   34.681    155.622   66.421    22.883  5.6840  17.027  7.4982  5.855942       9.409115 
1 1 1 9   -30 0  o 27.763  3.1245  120.436   20.357    90.743    34.659    136.074   25.153    24.320  5.4551  31.206  3.0482  -6.886261      6.248961 
1 1 1 9   -30 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -30 2  o 19.095  4.0114  53.180    19.864    53.180    19.864    0.0000    0.0000    19.095  4.0114  ?       ?       ?              ?        
1 1 1 9   -30 3  o 10.968  2.7041  11.572    10.391    26.837    16.335    1.1965    13.467    13.677  4.1197  8.2592  3.5039  5.417571       5.408267 
1 1 1 9   -30 4  o 53.845  2.0679  399.711   29.708    409.097   42.340    390.609   41.696    54.476  2.9123  53.215  2.9367  1.261314       4.135863 
1 1 1 9   -30 5  o 10.641  2.7951  12.732    10.600    14.025    15.588    11.620    14.457    10.971  4.0356  10.312  3.8684  0.6583395      5.590249 
1 1 1 9   -30 6  o 39.171  2.0740  211.939   21.588    206.080   30.747    217.636   30.318    38.608  2.9967  39.734  2.8680  -1.125160      4.147988 
1 1 1 9   -30 7  o 21.728  2.6979  67.578    14.981    85.005    21.789    51.954    20.630    24.575  3.4014  18.882  4.1888  5.692604       5.395848 
1 1 1 9   -30 8  o 56.106  2.0915  433.290   31.317    431.788   44.521    434.760   44.060    55.999  2.9790  56.214  2.9364  -0.2146149     4.182920 
1 1 1 9   -30 9  o 23.873  2.5536  81.577    15.612    69.334    22.540    92.867    21.645    21.967  3.9772  25.779  3.2038  -3.812256      5.107122 
1 1 1 9   -30 10 o 26.619  2.4218  99.770    16.796    91.998    23.993    107.238   23.519    25.518  3.6111  27.720  3.2281  -2.201797      4.843646 
1 1 1 9   -30 11 o 12.044  2.9972  18.169    11.879    20.830    18.405    16.269    15.552    12.666  4.4164  11.422  4.0533  1.243934       5.994463 
1 1 1 9   -30 12 o 59.031  2.1239  479.561   33.502    494.223   47.237    464.722   47.522    60.009  2.9389  58.054  3.0670  1.954823       4.247781 
1 1 1 9   -30 13 o 45.235  2.1536  282.736   25.925    292.178   36.531    273.157   36.797    46.029  2.9791  44.441  3.1109  1.587666       4.307274 
1 1 1 9   -30 14 o 27.352  2.7028  107.307   18.456    145.181   26.781    73.049    25.471    32.320  3.1330  22.384  4.4051  9.935707       5.405620 
1 1 1 9   -30 15 o 48.041  2.1654  319.178   27.697    332.964   39.203    305.440   39.136    49.114  2.9944  46.969  3.1287  2.145115       4.330710 
1 1 1 9   -30 16 o 64.200  2.1692  568.101   37.284    544.322   52.314    592.646   53.150    62.810  3.1096  65.590  3.0254  -2.780273      4.338480 
1 1 1 9   -30 17 o 36.581  2.2686  186.986   21.788    216.792   31.106    158.278   30.528    39.577  2.9557  33.584  3.4423  5.992348       4.537133 
1 1 1 9   -30 18 o 30.440  2.3911  130.390   19.137    124.645   27.268    135.965   26.863    29.725  3.4914  31.155  3.2679  -1.429924      4.782116 
1 1 1 9   -30 19 o 48.174  2.1309  323.397   27.179    359.266   38.153    286.437   38.728    51.020  2.8026  45.328  3.2107  5.692310       4.261806 
1 1 1 9   -30 20 o 21.363  2.9421  66.499    16.199    74.253    23.896    59.905    22.035    22.558  4.1061  20.169  4.2148  2.389196       5.884277 
1 1 1 9   -30 21 o 16.876  3.2506  42.616    15.062    44.364    22.132    41.108    20.557    17.173  4.6827  16.578  4.5097  0.5946369      6.501128 
1 1 1 9   -30 22 o 29.943  2.3906  127.085   18.594    151.528   26.933    104.823   25.703    32.854  3.0972  27.033  3.6425  5.820883       4.781283 
1 1 1 9   -30 23 o 55.787  2.1364  435.230   31.766    458.960   44.989    411.637   44.859    57.371  2.9376  54.202  3.1028  3.169258       4.272755 
1 1 1 9   -30 24 o 39.293  2.2696  219.015   23.558    198.473   33.586    238.911   33.053    37.341  3.3951  41.245  3.0128  -3.903839      4.539116 
1 1 1 9   -30 25 o 16.390  3.3041  41.308    15.216    43.260    21.818    39.459    21.230    16.748  4.6818  16.032  4.6635  0.7159061      6.608129 
1 1 1 9   -30 26 o 17.635  3.2297  46.881    16.123    70.048    23.949    27.675    21.805    21.470  4.3143  13.800  4.8073  7.669345       6.459344 
1 1 1 9   -30 27 o 8.2593  3.8614  -16.0462  21.218    -16.0462  21.218    0.0000    0.0000    8.2593  3.8614  ?       ?       ?              ?        
1 1 1 9   -30 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -30 29 o 45.818  2.3288  307.233   28.077    265.658   40.217    346.766   39.217    42.447  3.5705  49.189  2.9908  -6.741535      4.657585 
1 1 1 9   -30 30 o 17.650  3.1333  48.165    17.021    86.861    25.056    15.005    23.194    23.660  4.1025  11.641  4.7370  12.01896       6.266571 
1 1 1 9   -30 31 o 12.337  3.4137  20.619    16.622    13.701    24.099    26.895    22.956    11.474  4.7649  13.200  4.8897  -1.725893      6.827452 
1 1 1 9   -30 32 o 12.153  3.3659  20.881    15.940    19.904    22.372    21.889    22.717    11.997  4.7292  12.308  4.7908  -0.3110037     6.731786 
1 1 1 9   -30 33 o 8.3369  2.7530  -12.4157  15.273    -6.6513   21.418    -18.3795  21.785    8.7537  4.0169  7.9200  3.7657  0.8336740      5.505999 
1 1 1 9   -30 34 o 8.8081  2.8056  -8.3332   14.623    11.441    21.542    -25.2337  19.915    10.589  4.4585  7.0273  3.4069  3.561563       5.611192 
1 1 1 9   -30 35 f 21.809  3.5201  84.821    20.200    100.526   29.474    70.910    27.738    24.067  4.7409  19.552  5.2046  4.514219       7.040151 
1 1 1 9   -30 36 o 18.309  3.6807  65.046    19.599    49.377    28.788    78.584    26.758    15.712  5.5208  20.906  4.8693  -5.193781      7.361345 
1 1 1 9   -30 37 o 10.182  3.1489  5.0177    17.259    -12.9718  24.947    21.533    23.903    8.6324  4.0824  11.732  4.7955  -3.100015      6.297815 
1 1 1 9   -30 38 o 11.682  3.4878  21.594    18.790    27.548    27.048    16.040    26.124    12.331  5.0777  11.033  4.7829  1.297908       6.975617 
1 1 1 9   -30 39 o 7.4565  2.5602  -36.2614  16.628    -73.7853  23.367    2.2323    23.667    5.6260  2.8600  9.2871  4.2472  -3.661086      5.120382 
1 1 1 9   -30 40 f 8.2054  2.7816  -18.6792  18.308    -45.7878  26.583    5.7803    25.250    6.9191  3.4584  9.4917  4.3577  -2.572602      5.563287 
1 1 1 9   -29 0  o 50.734  2.0772  354.812   28.060    335.377   39.906    373.819   39.464    49.306  3.0364  52.161  2.8353  -2.854362      4.154381 
1 1 1 9   -29 1  o 38.403  2.0588  203.019   20.973    220.881   30.096    186.157   29.243    40.085  2.8211  36.721  2.9993  3.364273       4.117616 
1 1 1 9   -29 2  o 43.303  2.0231  257.525   23.332    259.345   33.194    255.747   32.802    43.452  2.8682  43.154  2.8540  0.2983131      4.046182 
1 1 1 9   -29 3  o 29.553  2.1161  120.657   16.514    123.360   23.745    118.124   22.982    29.871  3.0087  29.234  2.9765  0.6371574      4.232231 
1 1 1 9   -29 4  o 14.393  2.5977  28.673    11.901    2.9551    17.208    52.254    16.478    9.5407  3.9993  19.245  3.3163  -9.704455      5.195433 
1 1 1 9   -29 5  o 75.025  2.1960  770.862   44.124    784.939   62.970    757.284   61.846    75.697  3.1057  74.352  3.1055  1.345314       4.392005 
1 1 1 9   -29 6  o 31.435  2.1289  136.955   17.592    123.582   25.258    149.554   24.516    29.863  3.2079  33.006  2.7995  -3.142664      4.257712 
1 1 1 9   -29 7  o 26.344  2.3798  96.684    16.320    109.005   23.519    85.242    22.664    28.037  3.1885  24.651  3.5336  3.386337       4.759524 
1 1 1 9   -29 8  o 57.680  2.0622  454.772   31.799    450.385   45.239    459.056   44.706    57.354  2.9549  58.005  2.8775  -0.6502762     4.124471 
1 1 1 9   -29 9  o 9.3292  2.6631  5.7840    10.272    2.3839    15.890    8.2250    13.464    9.1441  3.8386  9.5143  3.6924  -0.3702393     5.326203 
1 1 1 9   -29 10 o 62.954  2.1041  541.455   35.454    567.416   50.378    515.980   49.905    64.473  2.9173  61.435  3.0328  3.038525       4.208122 
1 1 1 9   -29 11 o 51.615  2.0827  365.045   28.610    335.054   40.114    396.093   40.815    49.411  3.0458  53.820  2.8414  -4.409241      4.165395 
1 1 1 9   -29 12 o 20.464  2.9348  60.355    15.536    70.356    22.122    50.623    21.822    22.256  3.8503  18.671  4.4303  3.585690       5.869614 
1 1 1 9   -29 13 o 30.833  2.3520  131.993   19.115    132.054   27.238    131.934   26.831    30.831  3.3524  30.835  3.2999  -0.3231049E-02 4.704015 
1 1 1 9   -29 14 o 40.763  2.1260  228.600   23.033    236.391   32.456    220.696   32.692    41.489  2.9396  40.036  3.0721  1.453484       4.251921 
1 1 1 9   -29 15 o 66.584  2.1277  606.870   37.944    603.105   53.276    610.745   54.054    66.380  2.9964  66.787  3.0216  -0.4069672     4.255445 
1 1 1 9   -29 16 o 58.308  2.1003  466.201   32.729    476.529   46.066    455.673   46.509    59.021  2.9140  57.595  3.0254  1.426437       4.200529 
1 1 1 9   -29 17 o 13.468  3.1768  23.861    13.409    30.238    20.474    19.069    17.745    14.653  4.6472  12.282  4.3327  2.371576       6.353615 
1 1 1 9   -29 18 o 81.560  2.2429  915.819   48.966    941.770   68.777    889.145   69.729    82.780  3.1019  80.340  3.2404  2.439674       4.485714 
1 1 1 9   -29 19 o 29.364  2.3238  120.210   17.948    126.624   25.870    114.257   24.922    30.137  3.2566  28.591  3.3159  1.546312       4.647671 
1 1 1 9   -29 20 o 46.198  2.0701  294.257   25.455    312.114   36.261    276.909   35.742    47.617  2.8563  44.780  2.9972  2.837196       4.140275 
1 1 1 9   -29 21 o 18.407  2.9353  48.019    15.006    81.006    22.485    21.532    20.149    23.863  3.6326  12.951  4.6116  10.91205       5.870519 
1 1 1 9   -29 22 o 44.769  2.0893  277.403   24.904    268.254   35.035    286.749   35.408    44.002  2.9904  45.535  2.9185  -1.533424      4.178523 
1 1 1 9   -29 23 o 24.351  2.6949  85.199    16.875    99.372    24.359    72.119    23.401    26.450  3.5261  22.252  4.0764  4.197552       5.389856 
1 1 1 9   -29 24 o 24.070  2.6552  83.457    16.533    83.399    24.043    83.509    22.772    24.011  3.8698  24.129  3.6365  -0.1175652     5.310328 
1 1 1 9   -29 25 o 15.139  3.2192  34.031    14.104    35.198    20.409    32.964    19.512    15.365  4.5997  14.913  4.5049  0.4510860      6.438305 
1 1 1 9   -29 26 o 31.709  2.4197  144.042   20.077    133.097   29.245    153.800   27.611    30.416  3.6633  33.002  3.1623  -2.585691      4.839439 
1 1 1 9   -29 27 o 7.9562  2.6032  -12.8898  13.091    -9.3093   19.087    -16.0696  17.987    8.4003  3.8310  7.5121  3.5257  0.8882608      5.206494 
1 1 1 9   -29 28 o 40.983  2.2318  238.595   24.303    239.985   34.848    237.279   33.909    41.073  3.1927  40.893  3.1194  0.1795883      4.463630 
1 1 1 9   -29 29 o 17.593  3.4921  49.883    17.412    39.941    25.711    58.305    23.664    15.899  5.2220  19.287  4.6377  -3.388257      6.984114 
1 1 1 9   -29 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -29 31 f 20.106  4.6005  64.734    24.239    0.0000    0.0000    64.734    24.239    ?       ?       20.106  4.6005  ?              ?        
1 1 1 9   -29 32 o 11.065  3.2278  11.888    15.637    6.0231    23.477    16.564    20.964    10.571  4.5582  11.560  4.5713  -0.9895716     6.455511 
1 1 1 9   -29 33 o 27.591  2.9458  121.058   20.448    153.110   29.133    89.936    28.707    31.907  3.4646  23.275  4.7652  8.632355       5.891578 
1 1 1 9   -29 34 o 13.197  3.3852  25.277    16.952    45.390    24.061    5.4531    23.887    16.039  5.0318  10.356  4.5300  5.682724       6.770490 
1 1 1 9   -29 35 o 27.831  3.0562  126.727   21.970    139.919   31.669    114.487   30.505    29.457  4.1271  26.206  4.5086  3.250875       6.112363 
1 1 1 9   -29 36 o 13.085  3.2958  20.132    17.755    56.591    25.791    -12.7125  24.479    17.440  5.1594  8.7304  4.1025  8.709871       6.591629 
1 1 1 9   -29 37 f 16.249  3.6644  50.397    18.396    39.473    25.999    61.348    26.032    14.439  5.2269  18.059  5.1371  -3.619804      7.328787 
1 1 1 9   -29 38 o 16.899  3.7465  56.484    19.048    65.370    27.357    48.123    26.537    18.267  5.2881  15.531  5.3085  2.735806       7.492983 
1 1 1 9   -29 39 o 9.5823  3.1078  0.2829    18.120    2.5798    25.249    -2.1563   26.020    9.7227  4.4233  9.4418  4.3667  0.2808523      6.215558 
1 1 1 9   -29 40 o 13.500  3.7758  40.146    20.349    44.835    28.449    35.233    29.120    14.112  5.3958  12.888  5.2833  1.224133       7.551659 
1 1 1 9   -29 41 o 10.715  3.2334  8.5474    19.614    44.619    26.596    -34.4601  29.041    13.726  5.2246  7.7050  3.8110  6.020888       6.466829 
1 1 1 9   -28 0  f 16.267  2.7661  37.899    11.975    45.241    17.296    31.140    16.596    17.790  3.7480  14.745  4.0691  3.045087       5.532187 
1 1 1 9   -28 1  o 19.882  2.6047  56.168    13.342    53.808    19.242    58.355    18.517    19.429  3.8336  20.336  3.5274  -0.9072704     5.209501 
1 1 1 9   -28 2  o 41.374  1.9903  233.990   21.854    258.318   31.305    210.863   30.522    43.514  2.6992  39.233  2.9256  4.280766       3.980532 
1 1 1 9   -28 3  o 41.126  1.9712  231.077   21.580    227.028   30.651    235.058   30.389    40.757  2.8251  41.496  2.7497  -0.7392502     3.942349 
1 1 1 9   -28 4  o 37.052  2.0225  187.758   19.902    197.593   28.446    178.329   27.854    38.020  2.8133  36.084  2.9066  1.935844       4.045062 
1 1 1 9   -28 5  o 45.692  1.9648  284.767   23.927    281.210   34.026    288.246   33.654    45.399  2.8121  45.985  2.7448  -0.5863266     3.929595 
1 1 1 9   -28 6  o 19.778  2.5772  56.260    13.009    42.038    18.594    69.897    18.207    17.117  4.1080  22.440  3.1131  -5.323030      5.154316 
1 1 1 9   -28 7  o 33.657  2.1067  155.754   18.729    143.180   26.647    168.030   26.330    32.263  3.1227  35.052  2.8286  -2.789127      4.213335 
1 1 1 9   -28 8  o 59.788  2.0479  487.076   32.715    470.012   46.488    503.820   46.049    58.692  2.9668  60.885  2.8237  -2.193748      4.095725 
1 1 1 9   -28 9  o 87.184  2.2959  1038.12   53.604    1025.85   76.237    1050.12   75.385    86.655  3.2846  87.714  3.2087  -1.058472      4.591762 
1 1 1 9   -28 10 f 42.189  2.0319  243.234   22.796    229.127   32.136    257.521   32.342    40.929  2.9511  43.449  2.7939  -2.519215      4.063833 
1 1 1 9   -28 11 o 32.512  2.1239  145.170   18.278    149.337   25.821    140.984   25.877    32.997  2.9528  32.027  3.0536  0.9699287      4.247707 
1 1 1 9   -28 12 o 14.605  2.9067  28.846    12.774    46.058    18.462    13.038    17.693    17.948  3.9478  11.262  4.2674  6.685471       5.813441 
1 1 1 9   -28 13 o 46.076  2.0475  290.348   25.113    299.782   35.120    280.477   35.923    46.872  2.8103  45.281  2.9785  1.591717       4.095053 
1 1 1 9   -28 14 o 33.500  2.1650  154.288   19.208    153.585   26.893    155.020   27.445    33.429  3.0367  33.572  3.0867  -0.1427803     4.330022 
1 1 1 9   -28 15 o 44.873  2.0522  275.548   24.516    281.099   34.296    269.749   35.059    45.358  2.8372  44.388  2.9658  0.9695663      4.104353 
1 1 1 9   -28 16 o 47.556  2.0365  310.804   25.668    339.854   35.787    280.025   36.837    49.928  2.6859  45.184  3.0618  4.743336       4.072917 
1 1 1 9   -28 17 o 43.156  2.0461  255.207   23.499    261.490   32.944    248.698   33.531    43.721  2.8283  42.592  2.9575  1.129166       4.092214 
1 1 1 9   -28 18 o 49.806  2.0691  341.269   27.322    377.049   38.341    304.354   38.944    52.549  2.7334  47.063  3.1068  5.486034       4.138130 
1 1 1 9   -28 19 o 47.330  2.0342  307.176   25.620    328.685   36.349    285.942   36.116    49.019  2.7799  45.641  2.9705  3.377396       4.068392 
1 1 1 9   -28 20 o 32.138  2.2456  143.601   18.833    169.499   26.929    118.806   26.349    35.101  2.8899  29.175  3.4379  5.926132       4.491187 
1 1 1 9   -28 21 o 37.923  2.0802  198.388   20.870    220.307   29.698    177.003   29.334    40.061  2.7849  35.785  3.0908  4.276573       4.160389 
1 1 1 9   -28 22 o 38.959  2.0828  209.412   21.557    205.138   30.854    213.488   30.132    38.543  3.0126  39.376  2.8769  -0.8323402     4.165624 
1 1 1 9   -28 23 o 19.884  2.8905  57.597    14.869    52.627    21.397    62.239    20.679    18.960  4.3109  20.809  3.8519  -1.849577      5.781070 
1 1 1 9   -28 24 o 12.830  3.0459  21.392    12.917    11.056    18.375    31.491    18.163    10.930  4.2932  14.729  4.3219  -3.798756      6.091783 
1 1 1 9   -28 25 o 31.898  2.2585  142.311   19.034    144.860   27.172    139.854   26.672    32.181  3.1946  31.616  3.1934  0.5652351      4.516937 
1 1 1 9   -28 26 o 9.8175  2.8728  3.1434    12.767    12.931    18.257    -6.2248   17.861    11.152  4.3076  8.4826  3.8021  2.669850       5.745565 
1 1 1 9   -28 27 o 41.814  2.1295  244.266   23.664    240.036   34.059    248.215   32.903    41.416  3.0926  42.212  2.9282  -0.7961006     4.258955 
1 1 1 9   -28 28 f 42.825  2.1706  257.241   24.670    281.350   35.411    234.505   34.388    44.848  2.9646  40.803  3.1714  4.044968       4.341293 
1 1 1 9   -28 29 o 28.040  2.5926  113.949   18.838    131.570   27.150    97.591    26.159    30.300  3.4042  25.780  3.9111  4.519829       5.185147 
1 1 1 9   -28 30 o 9.9128  2.9248  2.6475    13.617    -9.8433   19.200    15.289    19.316    8.3359  3.8171  11.490  4.4327  -3.153937      5.849699 
1 1 1 9   -28 31 o 34.518  2.4186  173.988   21.840    154.831   31.604    191.500   30.217    32.450  3.7024  36.586  3.1131  -4.135391      4.837296 
1 1 1 9   -28 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -28 33 o 8.7251  2.8238  -8.2718   14.845    -10.3685  21.466    -6.3499   20.552    8.6437  3.9865  8.8065  4.0004  -0.1627665     5.647583 
1 1 1 9   -28 34 o 14.413  3.4061  32.919    16.552    49.647    23.426    16.242    23.390    17.124  4.8740  11.703  4.7591  5.420277       6.812107 
1 1 1 9   -28 35 o 15.946  3.5873  44.743    17.441    51.533    24.463    37.723    24.873    17.146  5.0112  14.745  5.1345  2.401565       7.174607 
1 1 1 9   -28 36 o 15.470  3.6169  42.964    18.214    28.663    26.054    56.633    25.472    13.222  5.1350  17.717  5.0951  -4.494997      7.233781 
1 1 1 9   -28 37 o 17.453  3.0811  53.374    18.797    1.3222    27.612    98.326    25.660    10.293  4.6603  24.614  4.0318  -14.32041      6.162279 
1 1 1 9   -28 38 o 14.490  3.6889  39.723    18.462    45.424    25.770    33.711    26.461    15.387  5.2313  13.594  5.2025  1.792688       7.377818 
1 1 1 9   -28 39 o 10.828  3.3190  12.022    17.806    18.425    26.094    6.4420    24.358    11.528  4.8834  10.128  4.4963  1.399916       6.638068 
1 1 1 9   -28 40 o 20.942  3.8338  89.001    21.930    103.044   31.259    75.391    30.773    23.103  5.1795  18.782  5.6539  4.320635       7.667676 
1 1 1 9   -28 41 o 14.765  3.8774  49.859    20.810    60.901    29.686    39.190    29.179    16.197  5.6110  13.333  5.3529  2.864432       7.754862 
1 1 1 9   -28 42 o 18.938  4.2005  91.076    23.776    101.365   34.666    81.937    32.672    20.067  5.9918  17.810  5.8884  2.257858       8.400922 
1 1 1 9   -27 0  o 18.876  2.4977  50.276    12.162    51.663    17.179    48.882    17.221    19.156  3.4761  18.596  3.5875  0.5607109      4.995335 
1 1 1 9   -27 1  o 26.648  2.1805  98.145    15.182    86.957    21.416    109.446   21.524    25.051  3.2696  28.244  2.8858  -3.192541      4.360975 
1 1 1 9   -27 2  o 77.952  2.1928  826.943   45.781    827.726   65.210    826.183   64.288    77.980  3.1220  77.924  3.0801  0.5592346E-01  4.385689 
1 1 1 9   -27 3  o 46.023  1.9540  288.405   23.953    274.512   33.895    302.265   33.854    44.893  2.8334  47.154  2.6916  -2.260414      3.908035 
1 1 1 9   -27 4  o 21.852  2.3799  67.137    13.350    58.359    19.279    75.223    18.504    20.362  3.6697  23.341  3.0312  -2.978973      4.759753 
1 1 1 9   -27 5  o 26.799  2.1565  99.263    15.092    87.953    21.490    110.271   21.201    25.218  3.2577  28.381  2.8266  -3.162930      4.312997 
1 1 1 9   -27 6  o 11.955  2.8002  18.302    10.427    22.566    15.782    14.998    13.891    12.889  4.0793  11.020  3.8371  1.869443       5.600342 
1 1 1 9   -27 7  o 25.411  2.2872  90.416    14.907    73.367    21.368    106.583   20.808    22.919  3.5994  27.903  2.8230  -4.984045      4.574343 
1 1 1 9   -27 8  o 44.994  1.9751  275.526   23.649    293.706   33.571    257.614   33.322    46.495  2.7074  43.493  2.8766  3.001289       3.950254 
1 1 1 9   -27 9  o 93.694  2.3594  1195.45   59.207    1212.11   84.212    1179.16   83.258    94.342  3.3326  93.047  3.3407  1.294922       4.718708 
1 1 1 9   -27 10 o 36.484  2.0849  181.757   20.199    180.785   28.587    182.727   28.545    36.383  2.9591  36.585  2.9378  -0.2012215     4.169740 
1 1 1 9   -27 11 o 56.271  2.0298  430.185   30.521    441.307   42.940    418.828   43.390    57.059  2.8096  55.483  2.9301  1.575325       4.059518 
1 1 1 9   -27 12 o 60.692  2.0282  499.993   32.947    515.214   46.240    484.296   46.956    61.649  2.8003  59.735  2.9348  1.913929       4.056436 
1 1 1 9   -27 13 o 18.690  2.8881  49.912    14.047    47.187    20.332    52.401    19.429    18.161  4.2543  19.220  3.9072  -1.058676      5.776290 
1 1 1 9   -27 14 o 43.080  2.0373  253.159   23.349    265.690   33.008    240.608   33.034    44.172  2.8044  41.988  2.9561  2.184231       4.074698 
1 1 1 9   -27 15 o 90.459  2.3154  1115.88   56.090    1129.20   78.911    1102.28   79.743    91.023  3.2366  89.895  3.3119  1.128349       4.630795 
1 1 1 9   -27 16 o 69.372  2.0749  654.655   38.526    671.166   53.962    637.489   55.022    70.288  2.8663  68.455  3.0008  1.832741       4.149737 
1 1 1 9   -27 17 o 41.814  2.0178  239.113   22.418    248.120   31.157    229.445   32.279    42.666  2.7409  40.962  2.9620  1.703999       4.035553 
1 1 1 9   -27 18 o 38.421  2.0256  201.858   20.695    199.885   29.222    203.844   29.312    38.229  2.8749  38.613  2.8544  -0.3842697     4.051216 
1 1 1 9   -27 19 o 28.767  2.2319  114.252   16.909    116.799   24.308    111.863   23.537    29.077  3.1727  28.458  3.1402  0.6191864      4.463897 
1 1 1 9   -27 20 o 40.868  2.0328  228.846   22.076    214.909   31.196    242.826   31.243    39.587  2.9636  42.149  2.7831  -2.562000      4.065577 
1 1 1 9   -27 21 o 14.558  2.8212  27.139    13.036    52.216    19.025    4.9487    17.897    19.115  3.8492  10.000  4.1256  9.114492       5.642387 
1 1 1 9   -27 22 o 46.435  1.9968  295.589   24.656    319.561   34.969    271.887   34.771    48.356  2.7108  44.515  2.9327  3.841686       3.993622 
1 1 1 9   -27 23 o 32.507  2.2023  146.069   18.890    160.016   27.168    133.016   26.283    34.055  3.0094  30.960  3.2164  3.095135       4.404680 
1 1 1 9   -27 24 o 61.913  2.0680  525.997   34.117    581.539   48.794    472.874   47.720    65.211  2.7936  58.614  3.0501  6.596424       4.136048 
1 1 1 9   -27 25 o 18.576  2.9409  50.212    14.266    52.903    20.537    47.702    19.832    19.070  4.1394  18.083  4.1785  0.9872589      5.881764 
1 1 1 9   -27 26 o 25.682  2.4681  93.178    16.529    93.716    23.808    92.677    22.965    25.732  3.5486  25.631  3.4312  0.1015396      4.936208 
1 1 1 9   -27 27 o 43.741  2.0648  264.468   24.022    283.040   34.670    247.317   33.316    45.243  2.8759  42.239  2.9635  3.003864       4.129551 
1 1 1 9   -27 28 o 9.0520  2.7851  -1.2304   12.613    -0.3911   18.248    -1.9983   17.454    9.2474  4.0030  8.8566  3.8732  0.3908348      5.570120 
1 1 1 9   -27 29 o 38.381  2.1806  206.276   22.211    210.512   32.178    202.421   30.696    38.735  3.1281  38.028  3.0390  0.7077255      4.361290 
1 1 1 9   -27 30 o 9.4045  2.8369  -1.1710   13.096    11.258    19.182    -12.0212  17.923    10.946  4.3586  7.8634  3.6323  3.082211       5.673709 
1 1 1 9   -27 31 o 13.926  3.1716  25.954    15.134    5.1909    21.454    46.522    21.353    10.475  4.4320  17.378  4.5381  -6.903039      6.343299 
1 1 1 9   -27 32 o 17.441  3.3061  47.500    16.043    59.773    23.144    36.149    22.257    19.629  4.4984  15.254  4.8461  4.375007       6.612167 
1 1 1 9   -27 33 o 41.584  3.3392  250.631   36.879    250.631   36.879    0.0000    0.0000    41.584  3.3392  ?       ?       ?              ?        
1 1 1 9   -27 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -27 35 f 9.4864  2.8533  -7.7467   14.875    -37.4529  21.176    21.191    20.900    6.7656  3.3288  12.207  4.6350  -5.441598      5.706542 
1 1 1 9   -27 36 o 16.206  3.6081  46.258    17.560    50.334    24.554    41.989    25.124    16.950  5.0385  15.461  5.1658  1.489033       7.216099 
1 1 1 9   -27 37 o 12.380  3.4271  23.339    16.516    23.699    23.219    22.971    23.498    12.424  4.8414  12.336  4.8519  0.8778954E-01  6.854174 
1 1 1 9   -27 38 o 16.573  3.8004  52.177    19.303    58.885    28.322    46.357    26.379    17.483  5.4549  15.664  5.2930  1.819330       7.600786 
1 1 1 9   -27 39 o 15.006  3.9631  43.799    25.176    2.2944    40.118    70.761    32.335    11.524  5.3614  18.489  5.8377  -6.964938      7.926112 
1 1 1 9   -27 40 o 11.101  3.3259  10.186    18.570    -12.6419  26.198    33.239    26.328    8.8648  4.1896  13.337  5.1667  -4.471816      6.651894 
1 1 1 9   -27 41 o 19.454  3.7537  78.803    22.366    115.101   31.978    44.044    31.293    24.700  5.0051  14.208  5.5956  10.49151       7.507437 
1 1 1 9   -27 42 o 13.245  3.6489  35.340    20.715    59.532    28.766    9.2800    29.856    16.072  5.5259  10.419  4.7668  5.653217       7.297827 
1 1 1 9   -27 43 o 18.078  3.9831  85.410    24.239    117.025   33.668    51.391    34.925    22.652  5.5845  13.504  5.6811  9.147518       7.966282 
1 1 1 9   -26 0  o 45.305  1.9661  279.279   23.721    270.040   33.863    288.181   33.239    44.548  2.8529  46.061  2.7061  -1.513405      3.932173 
1 1 1 9   -26 1  o 44.119  1.9645  264.810   23.054    246.268   32.541    283.495   32.665    42.539  2.8729  45.699  2.6804  -3.160580      3.929085 
1 1 1 9   -26 2  o 24.214  2.1836  80.941    13.802    75.831    19.684    85.883    19.359    23.419  3.2233  25.009  2.9465  -1.589203      4.367143 
1 1 1 9   -26 3  f 44.582  1.9192  269.711   22.794    282.235   32.446    257.506   32.030    45.617  2.6671  43.546  2.7604  2.071083       3.838422 
1 1 1 9   -26 4  o 55.045  1.9480  410.137   28.659    425.572   40.841    395.164   40.225    56.108  2.7176  53.982  2.7916  2.125355       3.895934 
1 1 1 9   -26 5  o 31.988  1.9951  140.021   16.796    122.267   23.776    157.706   23.729    29.902  3.0095  34.073  2.6201  -4.171022      3.990215 
1 1 1 9   -26 6  o 30.023  2.0066  122.937   15.934    128.628   22.673    117.385   22.396    30.725  2.7853  29.321  2.8893  1.404257       4.013212 
1 1 1 9   -26 7  o 63.241  2.0312  540.997   34.397    530.775   48.915    550.997   48.379    62.641  2.9153  63.841  2.8292  -1.200562      4.062481 
1 1 1 9   -26 8  o 97.286  2.4033  1284.98   62.606    1258.13   88.987    1311.30   88.096    96.259  3.4514  98.313  3.3455  -2.053612      4.806693 
1 1 1 9   -26 9  o 47.116  2.7829  300.989   34.964    0.0000    0.0000    300.989   34.964    ?       ?       47.116  2.7829  ?              ?        
1 1 1 9   -26 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -26 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -26 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -26 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -26 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -26 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -26 16 o 38.182  2.8662  198.515   29.099    0.0000    0.0000    198.515   29.099    ?       ?       38.182  2.8662  ?              ?        
1 1 1 9   -26 17 o 12.103  3.0055  16.032    12.466    27.055    18.637    7.1069    16.770    14.071  4.4307  10.135  4.0620  3.935591       6.010913 
1 1 1 9   -26 18 f 100.654 2.4161  1381.15   65.138    1375.42   91.746    1386.97   92.495    100.447 3.4100  100.861 3.4238  -0.4137878     4.832256 
1 1 1 9   -26 19 o 7.6174  2.4365  -10.0379  11.016    -20.4149  16.305    -1.3234   14.942    6.8306  3.2507  8.4041  3.6302  -1.573433      4.872900 
1 1 1 9   -26 20 o 23.661  2.4309  78.450    14.618    99.246    21.109    59.285    20.264    26.856  2.9851  20.467  3.8375  6.388922       4.861795 
1 1 1 9   -26 21 o 56.277  1.9522  430.245   29.427    427.756   41.515    432.758   41.718    56.113  2.7622  56.441  2.7595  -0.3279114     3.904448 
1 1 1 9   -26 22 o 44.994  1.9841  276.349   23.786    283.929   34.027    269.105   33.264    45.602  2.7994  44.387  2.8124  1.214787       3.968157 
1 1 1 9   -26 23 o 43.452  2.0057  258.974   23.146    239.969   33.017    277.339   32.457    41.832  2.9660  45.073  2.7009  -3.241043      4.011472 
1 1 1 9   -26 24 o 33.744  2.1504  157.741   19.113    145.142   27.677    169.227   26.427    32.378  3.2347  35.111  2.8342  -2.733425      4.300703 
1 1 1 9   -26 25 o 58.375  2.0357  467.366   31.697    439.750   45.290    493.881   44.378    56.593  2.9985  60.157  2.7542  -3.563549      4.071389 
1 1 1 9   -26 26 o 29.882  2.2773  124.357   17.916    120.586   25.672    127.938   25.014    29.401  3.3179  30.362  3.1202  -0.9611549     4.554562 
1 1 1 9   -26 27 o 17.177  3.0389  42.778    14.185    55.766    20.674    31.224    19.499    19.606  4.0699  14.748  4.5138  4.857787       6.077731 
1 1 1 9   -26 28 o 37.977  2.1015  200.091   21.155    194.619   30.705    205.036   29.187    37.429  3.0904  38.526  2.8487  -1.097267      4.203042 
1 1 1 9   -26 29 o 14.098  3.2558  28.110    14.161    30.965    20.368    25.438    19.702    14.640  4.6343  13.556  4.5744  1.084309       6.511633 
1 1 1 9   -26 30 o 13.577  3.0386  23.626    14.268    1.4265    20.646    43.922    19.741    9.9940  4.2916  17.160  4.3028  -7.166287      6.077188 
1 1 1 9   -26 31 o 31.641  2.5175  143.264   20.323    185.728   29.696    105.858   27.872    36.350  3.0790  26.932  3.9839  9.417906       5.035038 
1 1 1 9   -26 32 o 19.768  3.2112  60.727    16.729    49.384    24.624    70.449    22.797    17.784  4.9745  21.752  4.0623  -3.967573      6.422471 
1 1 1 9   -26 33 o 6.9416  2.3487  -26.3580  12.592    -41.6108  17.304    -9.1892   18.358    5.7056  2.8421  8.1776  3.7402  -2.472012      4.697468 
1 1 1 9   -26 34 f 19.644  3.3631  61.703    17.723    48.610    24.948    75.043    25.182    17.305  5.0616  21.983  4.4297  -4.678423      6.726270 
1 1 1 9   -26 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -26 36 o 16.872  3.5815  48.591    17.490    49.916    24.441    47.201    25.038    17.137  5.0092  16.607  5.1203  0.5301228      7.163066 
1 1 1 9   -26 37 o 15.597  3.2742  38.200    17.351    70.194    24.869    7.8498    24.221    20.493  4.6388  10.701  4.6220  9.792073       6.548380 
1 1 1 9   -26 38 f 9.5485  3.0107  -7.2781   16.737    16.929    24.206    -29.4518  23.167    11.592  4.7915  7.5050  3.6467  4.087121       6.021369 
1 1 1 9   -26 39 o 12.161  3.4859  21.913    17.719    17.587    24.503    26.654    25.653    11.557  4.8024  12.765  5.0539  -1.208339      6.971746 
1 1 1 9   -26 40 o 12.354  3.6134  23.886    19.540    20.826    28.266    26.688    27.042    12.049  5.0920  12.659  5.1282  -0.6099138     7.226817 
1 1 1 9   -26 41 o 19.875  3.7474  78.662    22.145    113.620   31.895    46.125    30.770    24.922  4.9525  14.828  5.6255  10.09417       7.494878 
1 1 1 9   -26 42 o 7.8996  2.7086  -26.2249  18.146    -11.3747  24.796    -43.3507  26.628    8.5636  4.0558  7.2356  3.5911  1.328005       5.417122 
1 1 1 9   -26 43 o 9.6406  3.1602  -6.2413   20.272    -33.3129  27.779    24.596    29.649    7.6806  3.7855  11.601  5.0614  -3.920138      6.320419 
1 1 1 9   -26 44 o 10.031  4.6705  10.613    30.536    10.613    30.536    0.0000    0.0000    10.031  4.6705  ?       ?       ?              ?        
1 1 1 9   -25 0  o 89.404  2.3152  1083.89   55.433    1076.93   78.926    1090.66   77.872    89.109  3.3068  89.698  3.2412  -0.5882263     4.630407 
1 1 1 9   -25 1  f 43.374  1.9232  255.119   22.212    244.557   31.490    265.579   31.335    42.464  2.7840  44.283  2.6541  -1.819313      3.846381 
1 1 1 9   -25 2  o 81.906  2.2145  907.641   48.575    902.917   69.181    912.235   68.220    81.688  3.1619  82.124  3.1014  -0.4363632     4.428961 
1 1 1 9   -25 3  o 71.734  4.4284  704.940   84.670    0.0000    0.0000    704.940   84.670    ?       ?       71.734  4.4284  ?              ?        
1 1 1 9   -25 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -25 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -25 6  o 24.752  2.7649  94.763    16.086    121.989   20.788    54.118    25.398    29.979  2.6149  19.524  4.8724  10.45562       5.529736 
1 1 1 9   -25 7  o 108.953 2.5355  1607.28   73.991    1606.64   105.153   1607.92   104.131   108.925 3.6042  108.981 3.5673  -0.5573273E-01 5.071069 
1 1 1 9   -25 8  o 103.212 2.4588  1441.09   67.967    1471.78   96.556    1410.95   95.689    104.307 3.4560  102.117 3.4985  2.190948       4.917648 
1 1 1 9   -25 9  o 94.894  2.3279  1216.90   59.166    1232.90   83.898    1201.08   83.450    95.518  3.2793  94.271  3.3049  1.247261       4.655785 
1 1 1 9   -25 10 o 35.196  2.0601  168.168   19.244    165.973   26.962    170.449   27.476    34.962  2.9055  35.431  2.9213  -0.4687157     4.120148 
1 1 1 9   -25 11 o 57.390  1.9913  444.395   30.544    426.493   42.727    463.105   43.681    56.168  2.8494  58.612  2.7824  -2.444118      3.982557 
1 1 1 9   -25 12 o 59.827  2.0169  483.185   32.290    499.770   45.266    466.003   46.075    60.885  2.7757  58.770  2.9270  2.114666       4.033829 
1 1 1 9   -25 13 o 158.075 3.2873  3411.29   139.174   3363.70   196.690   3459.02   196.954   156.951 4.6787  159.199 4.6189  -2.247147      6.574530 
1 1 1 9   -25 14 o 95.157  2.3223  1224.84   59.187    1225.60   83.252    1224.07   84.162    95.192  3.2651  95.122  3.3033  0.7048798E-01  4.644660 
1 1 1 9   -25 15 o 34.005  2.0648  157.283   18.613    150.646   26.205    164.040   26.442    33.267  2.9723  34.744  2.8669  -1.476807      4.129605 
1 1 1 9   -25 16 o 66.514  2.0130  597.782   35.837    608.912   50.043    586.067   51.345    67.162  2.7818  65.866  2.9104  1.296570       4.026027 
1 1 1 9   -25 17 f 64.836  1.9841  568.498   34.414    593.185   48.296    543.034   49.051    66.284  2.7203  63.387  2.8891  2.896572       3.968200 
1 1 1 9   -25 18 o 59.882  2.3377  493.975   35.640    510.928   44.676    464.301   59.107    61.499  2.7121  58.265  3.8083  3.234314       4.675370 
1 1 1 9   -25 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -25 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -25 21 o 12.732  5.3465  5.1883    30.841    0.0000    0.0000    5.1883    30.841    ?       ?       12.732  5.3465  ?              ?        
1 1 1 9   -25 22 o 18.027  2.7405  46.765    12.901    35.290    18.398    57.867    18.096    15.733  4.2608  20.322  3.4477  -4.589127      5.480987 
1 1 1 9   -25 23 o 28.485  2.1947  111.732   16.460    113.480   23.835    110.138   22.759    28.687  3.1541  28.282  3.0528  0.4047890      4.389491 
1 1 1 9   -25 24 o 35.490  2.0371  172.407   19.187    176.730   27.691    168.415   26.610    35.914  2.9035  35.066  2.8580  0.8480988      4.074111 
1 1 1 9   -25 25 o 12.910  2.8823  21.315    12.525    3.3115    18.594    36.271    16.947    9.9392  4.1613  15.881  3.9894  -5.941607      5.764664 
1 1 1 9   -25 26 o 27.551  2.3115  106.384   16.556    95.691    24.130    115.894   22.757    26.129  3.5388  28.972  2.9748  -2.842606      4.623037 
1 1 1 9   -25 27 o 21.602  2.7535  67.317    15.245    57.787    22.041    76.058    21.110    19.969  4.2512  23.234  3.5008  -3.264610      5.507072 
1 1 1 9   -25 28 o 53.601  2.0284  394.188   28.993    408.016   42.050    381.659   40.028    54.487  2.8916  52.715  2.8455  1.772644       4.056868 
1 1 1 9   -25 29 o 35.627  2.1687  176.159   20.459    175.251   29.733    176.975   28.195    35.501  3.1598  35.752  2.9712  -0.2509918     4.337353 
1 1 1 9   -25 30 o 24.688  2.7170  90.060    16.722    62.539    24.011    115.982   23.303    20.558  4.4864  28.818  3.0661  -8.259394      5.434050 
1 1 1 9   -25 31 o 23.789  2.8200  83.402    17.077    72.236    25.377    92.645    23.088    22.065  4.4473  25.512  3.4685  -3.447035      5.639994 
1 1 1 9   -25 32 o 13.857  3.3423  27.178    14.880    26.510    21.040    27.847    21.047    13.737  4.7258  13.977  4.7278  -0.2398663     6.684668 
1 1 1 9   -25 33 o 16.648  3.1959  41.684    15.353    59.675    22.139    25.016    21.309    19.893  4.2818  13.404  4.7458  6.488735       6.391885 
1 1 1 9   -25 34 o 34.694  2.4443  173.086   22.371    185.125   32.819    162.636   30.575    35.820  3.4638  33.567  3.4497  2.252804       4.888641 
1 1 1 9   -25 35 f 18.783  3.5102  56.446    17.942    65.339    26.583    49.004    24.317    20.143  4.9601  17.423  4.9681  2.719639       7.020309 
1 1 1 9   -25 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -25 37 o 10.508  3.2122  5.5024    16.718    10.931    22.819    -0.7869   24.562    10.996  4.6073  10.020  4.4773  0.9760809      6.424383 
1 1 1 9   -25 38 o 8.2462  2.7358  -18.2006  15.680    -33.8642  21.921    -1.7874   22.439    7.0586  3.4553  9.4338  4.2425  -2.375286      5.471529 
1 1 1 9   -25 39 o 20.669  3.7765  78.306    21.069    74.260    29.446    82.550    30.159    20.053  5.3735  21.286  5.3079  -1.233082      7.553065 
1 1 1 9   -25 40 o 13.537  3.6965  31.170    19.526    44.711    28.176    18.658    27.085    15.221  5.4499  11.853  4.9956  3.367854       7.393088 
1 1 1 9   -25 41 o 11.465  3.2477  5.9413    18.865    44.373    25.956    -37.0936  27.466    15.128  5.2463  7.8029  3.8295  7.324785       6.495302 
1 1 1 9   -25 42 o 12.722  3.7466  28.377    21.289    20.468    29.515    36.954    30.736    11.832  5.1065  13.613  5.4838  -1.780613      7.493224 
1 1 1 9   -25 43 o 10.020  3.2353  1.6071    19.935    19.028    28.123    -15.9860  28.262    11.307  4.9315  8.7325  4.1891  2.574414       6.470533 
1 1 1 9   -25 44 o 11.231  3.3030  3.2752    20.671    57.416    29.246    -50.7725  29.221    15.279  5.5417  7.1836  3.5958  8.095175       6.606090 
1 1 1 9   -24 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -24 1  o 52.689  2.7381  374.984   38.509    374.984   38.509    0.0000    0.0000    52.689  2.7381  ?       ?       ?              ?        
1 1 1 9   -24 2  o 33.372  1.9846  151.535   17.487    135.500   24.763    167.487   24.698    31.569  2.9632  35.176  2.6407  -3.606157      3.969151 
1 1 1 9   -24 3  o 62.857  1.9876  532.300   33.448    516.642   47.485    547.720   47.122    61.933  2.8625  63.781  2.7583  -1.848614      3.975195 
1 1 1 9   -24 4  o 106.523 2.4912  1532.32   71.074    1532.10   101.104   1532.54   99.934    106.511 3.5440  106.536 3.5021  -0.2566528E-01 4.982400 
1 1 1 9   -24 5  o 102.205 2.4329  1410.57   66.555    1360.94   94.604    1459.20   93.649    100.406 3.5177  104.004 3.3617  -3.597305      4.865746 
1 1 1 9   -24 6  o 37.559  1.9382  190.801   19.362    194.626   27.483    187.033   27.281    37.937  2.7228  37.181  2.7591  0.7561569      3.876343 
1 1 1 9   -24 7  o 151.505 3.1750  3112.25   128.838   3108.63   182.860   3115.81   181.557   151.410 4.5089  151.600 4.4712  -0.1904144     6.349984 
1 1 1 9   -24 8  o 85.400  2.2260  982.691   50.914    971.606   72.072    993.734   71.936    84.916  3.1687  85.885  3.1271  -0.9683685     4.451911 
1 1 1 9   -24 9  o 12.686  2.8680  18.259    11.991    34.485    17.710    4.5260    16.293    15.687  4.1506  9.6856  3.9591  6.000973       5.736038 
1 1 1 9   -24 10 o 97.243  2.3527  1275.24   61.263    1309.38   86.645    1241.11   86.632    98.554  3.2823  95.933  3.3715  2.620872       4.705372 
1 1 1 9   -24 11 o 64.524  2.0135  560.045   34.788    541.351   48.564    579.746   49.855    63.417  2.8590  65.630  2.8361  -2.213036      4.027080 
1 1 1 9   -24 12 f 106.575 2.4887  1533.28   71.037    1548.53   100.258   1517.90   100.665   107.114 3.4945  106.037 3.5443  1.076645       4.977329 
1 1 1 9   -24 13 o 115.112 2.5960  1790.60   80.032    1815.91   112.919   1765.05   113.447   115.940 3.6362  114.285 3.7061  1.654320       5.192006 
1 1 1 9   -24 14 o 30.022  2.2599  123.338   17.748    140.238   25.209    106.729   24.990    32.129  2.9627  27.916  3.4133  4.213123       4.519767 
1 1 1 9   -24 15 o 112.168 2.5424  1700.76   76.383    1699.20   107.565   1702.35   108.485   112.120 3.5818  112.216 3.6093  -0.9568787E-01 5.084893 
1 1 1 9   -24 16 o 13.217  2.3192  18.853    11.688    -20.9924  17.429    51.421    15.757    7.1601  3.3937  19.275  3.1617  -12.11480      4.638304 
1 1 1 9   -24 17 o 75.480  2.0689  768.211   41.820    747.756   58.709    789.281   59.587    74.457  2.9438  76.503  2.9079  -2.046028      4.137872 
1 1 1 9   -24 18 o 42.562  1.9364  245.289   21.947    253.603   31.030    236.966   31.046    43.295  2.6891  41.829  2.7870  1.465862       3.872756 
1 1 1 9   -24 19 o 66.776  1.9731  601.722   35.286    612.763   49.938    590.713   49.867    67.392  2.7665  66.160  2.8140  1.232101       3.946167 
1 1 1 9   -24 20 o 46.060  1.9083  287.358   23.422    300.550   33.226    274.327   33.022    47.125  2.6430  44.995  2.7532  2.129925       3.816511 
1 1 1 9   -24 21 o 55.004  1.9186  409.370   28.206    399.129   40.073    419.426   39.708    54.278  2.7655  55.730  2.6601  -1.451778      3.837215 
1 1 1 9   -24 22 o 28.379  4.7474  113.776   34.812    113.776   34.812    0.0000    0.0000    28.379  4.7474  ?       ?       ?              ?        
1 1 1 9   -24 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -24 24 o 63.340  2.6247  571.853   40.478    494.969   70.987    608.896   49.273    59.667  4.4744  67.014  2.7451  -7.346973      5.249329 
1 1 1 9   -24 25 o 43.021  1.9775  252.139   22.644    259.622   32.856    245.370   31.251    43.622  2.8272  42.420  2.7656  1.202362       3.954934 
1 1 1 9   -24 26 o 19.802  2.8216  57.467    14.386    42.049    21.020    71.053    19.731    17.061  4.5255  22.543  3.3714  -5.481775      5.643254 
1 1 1 9   -24 27 o 24.960  2.4669  86.897    16.002    91.955    23.676    82.643    21.712    25.620  3.5451  24.300  3.4314  1.320324       4.933784 
1 1 1 9   -24 28 f 48.285  2.0589  320.827   26.411    303.986   38.259    336.158   36.505    47.009  3.0552  49.561  2.7609  -2.552223      4.117844 
1 1 1 9   -24 29 o 29.907  2.3652  124.076   18.396    149.917   27.092    101.968   25.059    32.892  3.1122  26.923  3.5624  5.968534       4.730394 
1 1 1 9   -24 30 o 41.109  2.1209  233.168   23.170    243.896   33.665    223.512   31.938    42.005  3.0122  40.214  2.9865  1.791439       4.241724 
1 1 1 9   -24 31 o 14.000  3.0876  26.192    13.744    42.058    19.872    11.642    19.030    16.875  4.3640  11.125  4.3692  5.750422       6.175288 
1 1 1 9   -24 32 o 12.598  2.7525  13.298    13.841    -22.1633  20.069    45.463    19.114    7.6573  3.6330  17.538  4.1361  -9.880531      5.505071 
1 1 1 9   -24 33 o 65.626  2.2560  602.386   39.655    606.449   56.371    598.405   55.794    65.840  3.1965  65.412  3.1845  0.4275894      4.512077 
1 1 1 9   -24 34 o 34.104  2.4748  167.322   22.131    148.675   31.407    185.711   31.189    32.046  3.7288  36.163  3.2549  -4.116989      4.949519 
1 1 1 9   -24 35 o 11.792  3.2840  14.632    15.482    21.531    21.812    7.6262    21.979    12.764  4.7588  10.821  4.5268  1.942956       6.567924 
1 1 1 9   -24 36 o 18.785  3.5799  57.578    18.627    47.802    26.455    67.191    26.232    17.083  5.2625  20.488  4.8547  -3.404125      7.159755 
1 1 1 9   -24 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -24 38 o 13.088  3.5305  24.500    17.896    36.436    24.839    11.616    25.806    14.741  5.1311  11.434  4.8507  3.307207       7.060970 
1 1 1 9   -24 39 o 27.289  3.4765  126.918   24.355    114.900   35.145    138.022   33.782    25.540  5.3108  29.039  4.4879  -3.499468      6.953068 
1 1 1 9   -24 40 o 10.391  2.9830  -6.9409   16.634    35.447    23.312    -50.9091  23.742    14.161  4.9685  6.6199  3.3026  7.541478       5.965960 
1 1 1 9   -24 41 o 16.058  3.8689  50.705    20.160    58.005    28.273    43.154    28.756    17.211  5.4613  14.906  5.4815  2.304396       7.737757 
1 1 1 9   -24 42 o 9.0810  2.9190  -18.4851  17.839    19.115    24.487    -61.0063  26.041    11.543  4.7992  6.6185  3.3243  4.925014       5.838072 
1 1 1 9   -24 43 o 11.538  3.2650  1.8199    19.717    -49.4401  27.926    52.776    27.843    7.2643  3.6172  15.811  5.4366  -8.546768      6.529955 
1 1 1 9   -24 44 o 9.1474  3.0469  -16.9754  19.919    -46.7406  26.956    18.827    29.564    7.0785  3.5294  11.216  4.9677  -4.137913      6.093775 
1 1 1 9   -24 45 o 11.178  3.5289  19.662    22.241    -2.0421   30.430    44.553    32.587    9.3499  4.4470  13.007  5.4806  -3.657135      7.057830 
1 1 1 9   -23 0  o 66.470  2.0360  594.846   36.239    585.803   51.622    603.632   50.885    65.967  2.9216  66.974  2.8366  -1.006210      4.072062 
1 1 1 9   -23 1  o 11.725  2.5672  16.576    9.7843    29.387    13.987    4.2996    13.692    14.478  3.6172  8.9709  3.6438  5.507445       5.134340 
1 1 1 9   -23 2  o 171.137 3.4867  3973.62   159.807   3920.76   226.723   4025.82   225.287   169.984 4.9796  172.290 4.8819  -2.306152      6.973497 
1 1 1 9   -23 3  o 107.961 2.5244  1571.92   72.955    1517.33   103.571   1625.67   102.782   106.086 3.6450  109.837 3.4936  -3.751854      5.048894 
1 1 1 9   -23 4  o 171.600 3.4845  3990.78   160.132   3928.05   227.203   4052.70   225.725   170.237 4.9828  172.962 4.8724  -2.725113      6.969081 
1 1 1 9   -23 5  o 183.277 3.7345  4558.26   183.303   4496.13   259.984   4619.67   258.481   182.012 5.3328  184.542 5.2293  -2.530533      7.468924 
1 1 1 9   -23 6  o 49.412  1.9068  329.153   25.107    302.027   35.492    356.325   35.522    47.320  2.8129  51.503  2.5750  -4.182823      3.813509 
1 1 1 9   -23 7  o 84.502  2.2183  960.911   50.185    928.864   71.067    992.787   70.877    83.089  3.1933  85.915  3.0800  -2.825218      4.436596 
1 1 1 9   -23 8  o 77.938  2.1183  816.923   44.200    786.418   62.362    847.713   62.654    76.470  3.0447  79.405  2.9459  -2.934761      4.236516 
1 1 1 9   -23 9  o 108.092 2.4874  1573.72   71.994    1526.79   101.700   1620.87   101.931   106.468 3.5663  109.716 3.4686  -3.248177      4.974848 
1 1 1 9   -23 10 o 52.196  1.9702  366.571   27.424    335.676   38.279    399.148   39.307    49.888  2.8769  54.503  2.6926  -4.614697      3.940347 
1 1 1 9   -23 11 o 83.284  2.1686  932.975   48.371    932.485   67.959    933.478   68.865    83.264  3.0472  83.303  3.0864  -0.3968811E-01 4.337184 
1 1 1 9   -23 12 o 100.699 2.3864  1365.40   64.365    1362.55   90.692    1368.29   91.363    100.594 3.3659  100.803 3.3838  -0.2084656     4.772839 
1 1 1 9   -23 13 o 67.570  2.0076  613.666   36.313    584.662   50.843    643.864   51.880    65.937  2.8788  69.203  2.7989  -3.265656      4.015131 
1 1 1 9   -23 14 o 41.916  1.9564  237.204   21.833    228.459   30.656    246.208   31.103    41.124  2.7998  42.707  2.7334  -1.583046      3.912786 
1 1 1 9   -23 15 o 72.134  2.0361  699.943   39.335    695.519   55.125    704.531   56.144    71.904  2.8623  72.364  2.8966  -0.4604111     4.072215 
1 1 1 9   -23 16 o 98.776  2.3309  1314.73   61.659    1283.58   86.641    1346.69   87.768    97.587  3.3147  99.965  3.2779  -2.377426      4.661750 
1 1 1 9   -23 17 o 40.929  1.9516  226.435   21.267    221.735   30.006    231.179   30.147    40.497  2.7831  41.361  2.7366  -0.8637199     3.903202 
1 1 1 9   -23 18 o 100.688 2.3480  1367.94   63.320    1348.35   89.442    1387.62   89.656    99.961  3.3406  101.415 3.3005  -1.454330      4.696058 
1 1 1 9   -23 19 o 88.643  2.2066  1060.01   52.386    1078.35   74.097    1041.68   74.074    89.415  3.0939  87.871  3.1472  1.544357       4.413282 
1 1 1 9   -23 20 o 59.760  1.9339  481.092   30.951    493.233   44.132    469.341   43.419    60.503  2.7233  59.017  2.7467  1.486633       3.867887 
1 1 1 9   -23 21 o 24.564  2.3363  82.997    14.978    85.255    21.439    80.843    20.934    24.897  3.2958  24.231  3.3123  0.6666813      4.672671 
1 1 1 9   -23 22 o 51.443  1.9056  357.950   26.171    347.478   37.579    367.811   36.467    50.662  2.7800  52.224  2.6070  -1.562431      3.811156 
1 1 1 9   -23 23 o 46.960  1.9379  299.990   24.175    278.492   34.809    320.022   33.601    45.294  2.8842  48.627  2.5892  -3.333099      3.875890 
1 1 1 9   -23 24 o 33.464  2.1117  153.636   18.619    143.322   27.151    162.794   25.583    32.349  3.1744  34.579  2.7858  -2.229912      4.223424 
1 1 1 9   -23 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -23 26 o 37.886  2.0583  196.568   20.643    190.333   30.256    201.999   28.237    37.281  3.0568  38.491  2.7571  -1.209942      4.116529 
1 1 1 9   -23 27 o 23.621  2.5128  77.719    15.351    82.845    22.912    73.543    20.679    24.316  3.6289  22.925  3.4767  1.390991       5.025562 
1 1 1 9   -23 28 o 52.303  2.0368  373.149   28.374    404.625   41.178    344.696   39.152    54.420  2.8348  50.185  2.9253  4.235474       4.073543 
1 1 1 9   -23 29 o 40.461  2.1214  226.333   22.690    208.760   32.954    242.174   31.288    38.882  3.1924  42.040  2.7945  -3.157532      4.242734 
1 1 1 9   -23 30 o 21.167  2.9340  64.331    16.018    74.515    23.458    55.435    21.925    22.817  3.9832  19.518  4.3092  3.299414       5.868093 
1 1 1 9   -23 31 o 41.770  2.1541  241.411   23.911    237.778   34.411    244.803   33.249    41.431  3.1239  42.109  2.9669  -0.6785126     4.308219 
1 1 1 9   -23 32 o 52.085  2.1848  377.365   30.228    352.749   43.588    400.174   41.957    50.344  3.2497  53.826  2.9211  -3.481380      4.369654 
1 1 1 9   -23 33 o 25.908  2.7184  96.943    18.213    90.280    26.241    103.136   25.300    24.925  4.0711  26.890  3.6033  -1.965372      5.436746 
1 1 1 9   -23 34 o 23.237  3.0582  81.229    18.182    63.133    25.929    98.734    25.502    20.333  4.8322  26.141  3.7496  -5.807842      6.116331 
1 1 1 9   -23 35 o 19.883  3.3537  61.033    17.710    70.987    25.285    51.446    24.813    21.607  4.5145  18.159  4.9608  3.447275       6.707432 
1 1 1 9   -23 36 o 7.9528  2.6670  -21.6862  15.276    -19.0977  21.568    -24.2918  21.639    8.1261  3.8285  7.7794  3.7139  0.3466549      5.333929 
1 1 1 9   -23 37 o 10.295  3.2198  -0.5229   17.204    -2.4897   22.330    2.3497    26.986    9.6422  4.2915  10.947  4.8011  -1.305076      6.439559 
1 1 1 9   -23 38 o 15.655  5.1461  40.810    24.967    0.0000    0.0000    40.810    24.967    ?       ?       15.655  5.1461  ?              ?        
1 1 1 9   -23 39 o 21.965  3.5216  82.723    20.371    68.268    29.306    96.237    28.336    19.589  5.4079  24.341  4.5124  -4.752068      7.043238 
1 1 1 9   -23 40 o 18.012  3.4692  58.021    20.696    15.893    30.038    96.094    28.555    12.066  5.1788  23.957  4.6174  -11.89148      6.938327 
1 1 1 9   -23 41 o 19.454  3.9163  72.498    21.449    79.221    30.745    66.123    29.937    20.445  5.4959  18.463  5.5807  1.981995       7.832548 
1 1 1 9   -23 42 o 21.384  3.7501  89.238    22.990    53.743    32.610    124.315   32.418    16.033  5.8461  26.736  4.6984  -10.70287      7.500122 
1 1 1 9   -23 43 o 21.874  4.0570  97.323    24.028    101.362   35.141    93.778    32.928    22.170  5.8374  21.579  5.6356  0.5903339      8.113911 
1 1 1 9   -23 44 o 12.233  3.6120  24.803    20.874    5.4093    30.034    42.926    29.034    10.372  4.7586  14.094  5.4354  -3.721652      7.224067 
1 1 1 9   -23 45 o 16.946  4.2371  75.407    24.132    71.943    35.201    78.478    33.147    16.284  6.0505  17.607  5.9333  -1.323374      8.474195 
1 1 1 9   -22 0  o 21.648  2.3776  66.316    12.953    49.190    18.769    81.893    17.900    18.764  3.8630  24.532  2.7728  -5.767811      4.755160 
1 1 1 9   -22 1  o 69.394  2.0328  647.883   37.737    617.503   53.747    677.419   52.996    67.781  2.9604  71.008  2.7864  -3.226814      4.065515 
1 1 1 9   -22 2  o 111.019 2.5600  1659.08   76.120    1657.92   108.190   1660.22   107.117   110.978 3.6397  111.061 3.6009  -0.8310699E-01 5.119919 
1 1 1 9   -22 3  o 112.425 2.5543  1700.87   76.913    1702.53   109.318   1699.24   108.234   112.477 3.6286  112.373 3.5960  0.1037750      5.108587 
1 1 1 9   -22 4  o 94.411  2.2944  1198.38   58.012    1185.18   82.477    1211.30   81.611    93.893  3.2795  94.930  3.2097  -1.036430      4.588817 
1 1 1 9   -22 5  o 128.383 2.7900  2219.16   95.936    2226.24   136.285   2212.21   135.072   128.583 3.9571  128.182 3.9342  0.4018097      5.579970 
1 1 1 9   -22 6  o 78.791  2.1297  834.433   44.915    801.177   63.659    867.399   63.381    77.221  3.0777  80.360  2.9446  -3.138947      4.259476 
1 1 1 9   -22 7  o 71.325  2.0399  683.215   38.971    678.025   55.111    688.407   55.115    71.053  2.8958  71.596  2.8740  -0.5434341     4.079890 
1 1 1 9   -22 8  o 114.246 2.5634  1755.73   78.441    1751.09   111.032   1760.35   110.833   114.094 3.6333  114.398 3.6171  -0.3034515     5.126808 
1 1 1 9   -22 9  o 107.076 2.4832  1541.88   71.218    1532.63   100.530   1551.19   100.905   106.754 3.5158  107.399 3.5077  -0.6453934     4.966369 
1 1 1 9   -22 10 o 86.542  2.2005  1006.23   51.005    993.588   71.633    1019.24   72.642    85.991  3.1101  87.094  3.1139  -1.102409      4.401037 
1 1 1 9   -22 11 o 161.092 3.2811  3502.11   141.553   3568.23   200.036   3435.80   200.337   162.628 4.5922  159.557 4.6877  3.071167       6.562241 
1 1 1 9   -22 12 o 118.174 2.6066  1881.05   82.422    1970.05   116.218   1790.99   116.909   121.004 3.5858  115.344 3.7841  5.660316       5.213202 
1 1 1 9   -22 13 o 150.995 3.1189  3075.68   126.139   3056.16   177.911   3095.41   178.868   150.513 4.4131  151.477 4.4086  -0.9645386     6.237835 
1 1 1 9   -22 14 o 87.325  2.1686  1024.82   50.718    1010.66   71.021    1039.56   72.451    86.711  3.0579  87.940  3.0759  -1.229034      4.337281 
1 1 1 9   -22 15 o 66.083  1.9806  586.703   35.051    583.733   49.046    589.805   50.111    65.914  2.7781  66.252  2.8239  -0.3383713     3.961293 
1 1 1 9   -22 16 o 132.063 2.8089  2352.23   99.349    2312.55   140.205   2392.25   140.800   130.938 3.9977  133.188 3.9468  -2.249252      5.617730 
1 1 1 9   -22 17 o 214.172 4.2076  6248.70   241.367   6202.25   341.168   6295.24   341.521   213.363 5.9698  214.980 5.9310  -1.617111      8.415192 
1 1 1 9   -22 18 o 24.686  2.4786  84.893    15.561    65.405    22.006    104.380   22.006    21.683  3.9341  27.690  3.0160  -6.006876      4.957118 
1 1 1 9   -22 19 o 159.056 3.2443  3429.59   138.215   3456.03   195.667   3403.25   195.264   159.673 4.5750  158.439 4.6012  1.234680       6.488621 
1 1 1 9   -22 20 o 48.181  1.9244  313.915   24.685    296.311   35.243    330.870   34.587    46.834  2.8226  49.528  2.6164  -2.693783      3.848745 
1 1 1 9   -22 21 f 18.558  2.6124  48.922    13.326    88.995    19.455    13.508    18.289    25.541  2.8950  11.575  4.3493  13.96536       5.224717 
1 1 1 9   -22 22 o 9.5551  2.6443  1.1010    11.145    17.898    15.975    -14.8233  15.555    12.001  4.1185  7.1093  3.3178  4.891712       5.288659 
1 1 1 9   -22 23 o 73.703  2.0686  732.478   40.806    773.421   58.673    694.119   56.791    75.703  2.8936  71.704  2.9570  3.998116       4.137213 
1 1 1 9   -22 24 o 64.108  2.0017  554.902   34.353    560.288   49.493    549.894   47.721    64.401  2.8692  63.816  2.7918  0.5854759      4.003337 
1 1 1 9   -22 25 o 25.338  2.4057  91.031    15.409    71.644    22.734    107.506   20.957    22.617  3.8932  28.058  2.8271  -5.440565      4.811393 
1 1 1 9   -22 26 o 17.447  5.7534  41.330    31.199    41.330    31.199    0.0000    0.0000    17.447  5.7534  ?       ?       ?              ?        
1 1 1 9   -22 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -22 28 o 60.821  2.0371  503.178   33.171    503.075   47.619    503.276   46.233    60.801  2.9240  60.842  2.8370  -0.4040909E-01 4.074119 
1 1 1 9   -22 29 o 49.417  2.0798  335.626   27.276    307.673   39.212    361.831   37.967    47.347  3.1093  51.488  2.7631  -4.141308      4.159647 
1 1 1 9   -22 30 o 34.850  2.2153  167.002   20.407    182.880   29.956    153.250   27.877    36.411  3.1011  33.289  3.1645  3.122005       4.430667 
1 1 1 9   -22 31 o 45.396  2.1611  284.286   26.090    278.560   37.610    289.598   36.224    44.915  3.1461  45.877  2.9637  -0.9621544     4.322167 
1 1 1 9   -22 32 o 22.091  2.9517  70.537    16.766    86.132    24.379    56.542    23.095    24.575  3.8285  19.608  4.4937  4.966911       5.903414 
1 1 1 9   -22 33 o 25.176  2.7908  91.615    18.078    81.096    25.859    101.671   25.283    23.596  4.2477  26.755  3.6210  -3.159067      5.581650 
1 1 1 9   -22 34 o 30.823  2.5595  135.648   20.633    125.323   29.548    145.472   28.824    29.560  3.8214  32.086  3.4059  -2.526022      5.118901 
1 1 1 9   -22 35 f 11.643  3.2487  13.544    14.947    15.374    21.476    11.825    20.815    11.954  4.6566  11.333  4.5312  0.6210136      6.497398 
1 1 1 9   -22 36 o 20.336  3.3235  64.172    17.835    53.846    25.380    74.245    25.067    18.521  4.9996  22.150  4.3803  -3.629150      6.647019 
1 1 1 9   -22 37 o 21.040  3.5529  70.890    19.751    67.592    28.596    73.898    27.312    20.436  5.2087  21.643  4.8335  -1.206566      7.105860 
1 1 1 9   -22 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -22 39 o 9.1859  2.9473  -9.0523   16.458    5.2747    22.020    -27.1842  24.772    10.248  4.4168  8.1236  3.9036  2.124672       5.894632 
1 1 1 9   -22 40 o 26.826  3.3526  119.485   23.204    120.425   33.168    118.584   32.474    26.889  4.7804  26.763  4.7018  0.1261864      6.705153 
1 1 1 9   -22 41 o 9.5205  3.0558  -10.1907  18.011    13.580    25.487    -33.9009  25.455    11.320  4.8120  7.7215  3.7676  3.598060       6.111528 
1 1 1 9   -22 42 o 14.170  3.7881  36.926    19.841    30.509    27.957    43.438    28.164    13.295  5.2721  15.044  5.4410  -1.749103      7.576257 
1 1 1 9   -22 43 o 9.0976  3.0124  -10.5875  18.493    -18.6745  26.060    -2.3836   26.248    8.5210  4.0701  9.6743  4.4421  -1.153358      6.024754 
1 1 1 9   -22 44 o 16.920  3.0827  42.589    22.745    117.581   30.667    -49.1087  33.911    25.644  4.6353  8.1963  4.0653  17.44767       6.165447 
1 1 1 9   -22 45 f 13.785  3.2588  40.702    16.189    13.834    31.499    50.347    18.872    10.934  4.9612  16.636  4.2268  -5.702693      6.517589 
1 1 1 9   -22 46 o 7.6954  3.7804  -26.5718  26.966    -26.5718  26.966    0.0000    0.0000    7.6954  3.7804  ?       ?       ?              ?        
1 1 1 9   -21 0  o 44.610  1.8884  268.521   22.417    252.354   31.912    284.271   31.498    43.268  2.7681  45.952  2.5694  -2.684315      3.776772 
1 1 1 9   -21 1  o 65.440  1.9907  575.194   34.875    561.599   49.743    588.337   48.908    64.676  2.8715  66.204  2.7581  -1.528099      3.981490 
1 1 1 9   -21 2  o 135.318 2.8944  2465.64   104.840   2378.50   148.790   2551.56   147.749   132.928 4.1790  137.708 4.0057  -4.779404      5.788718 
1 1 1 9   -21 3  o 232.808 4.5632  7348.55   284.328   7032.97   402.678   7662.33   401.527   227.758 6.6008  237.858 6.3024  -10.10069      9.126384 
1 1 1 9   -21 4  o 32.102  1.9478  139.559   16.539    150.726   23.376    128.366   23.405    33.412  2.6333  30.792  2.8709  2.620869       3.895700 
1 1 1 9   -21 5  o 25.590  2.1282  89.041    14.295    94.193    20.542    84.205    19.904    26.323  2.9652  24.858  3.0536  1.465508       4.256425 
1 1 1 9   -21 6  o 39.592  1.9143  211.474   20.151    198.912   28.451    224.119   28.545    38.398  2.7852  40.785  2.6269  -2.387486      3.828577 
1 1 1 9   -21 7  o 181.649 3.6538  4452.26   177.727   4338.43   251.619   4565.60   251.069   179.313 5.2389  183.985 5.0947  -4.671997      7.307697 
1 1 1 9   -21 8  o 164.201 3.3236  3632.91   146.171   3607.38   206.856   3658.36   206.577   163.621 4.7200  164.781 4.6804  -1.160309      6.647151 
1 1 1 9   -21 9  o 191.222 3.8310  4937.51   196.189   5036.90   277.549   4838.26   277.358   193.161 5.3645  189.283 5.4706  3.877136       7.661991 
1 1 1 9   -21 10 o 184.505 3.6594  4593.63   180.844   4593.20   255.603   4594.06   255.902   184.497 5.1724  184.513 5.1780  -0.1573181E-01 7.318774 
1 1 1 9   -21 11 o 157.950 3.2123  3361.08   135.897   3322.09   191.749   3400.42   192.628   157.027 4.5590  158.874 4.5266  -1.847229      6.424570 
1 1 1 9   -21 12 o 44.429  1.9333  265.863   22.891    261.975   32.013    269.930   32.743    44.096  2.7238  44.761  2.7443  -0.6649895     3.866570 
1 1 1 9   -21 13 o 141.417 2.9150  2692.20   110.408   2653.08   155.601   2731.87   156.686   140.380 4.1383  142.455 4.1064  -2.074844      5.829935 
1 1 1 9   -21 14 o 104.403 2.3712  1465.08   66.302    1468.88   93.171    1461.19   94.371    104.543 3.3273  104.263 3.3792  0.2799225      4.742413 
1 1 1 9   -21 15 o 52.935  1.8579  376.856   26.274    391.723   37.058    361.829   37.257    54.023  2.5610  51.846  2.6922  2.177658       3.715721 
1 1 1 9   -21 16 o 125.050 2.7043  2105.17   90.571    2069.96   127.862   2140.64   128.312   123.996 3.8499  126.104 3.7988  -2.107864      5.408566 
1 1 1 9   -21 17 o 61.646  1.9343  510.855   31.892    479.262   45.086    542.494   45.119    59.731  2.8181  63.560  2.6502  -3.829403      3.868519 
1 1 1 9   -21 18 o 146.803 3.0703  2909.02   120.717   2868.20   170.943   2949.63   170.496   145.766 4.3783  147.840 4.3056  -2.073975      6.140664 
1 1 1 9   -21 19 o 75.844  2.0414  773.223   41.458    798.959   58.977    748.083   58.290    77.095  2.8561  74.594  2.9175  2.501022       4.082743 
1 1 1 9   -21 20 o 87.691  2.1967  1034.83   51.591    1041.69   73.549    1028.19   72.386    87.975  3.1213  87.407  3.0918  0.5678787      4.393374 
1 1 1 9   -21 21 o 59.035  1.9331  468.455   30.557    481.015   43.891    456.642   42.567    59.802  2.7401  58.268  2.7274  1.533657       3.866158 
1 1 1 9   -21 22 o 42.695  1.9714  246.471   22.364    245.107   32.755    247.661   30.610    42.569  2.8898  42.821  2.6824  -0.2513199     3.942877 
1 1 1 9   -21 23 o 62.000  1.9833  517.922   32.911    514.559   47.400    521.053   45.731    61.798  2.8636  62.202  2.7448  -0.4039421     3.966632 
1 1 1 9   -21 24 o 64.618  2.0217  562.803   34.966    570.510   50.562    555.739   48.407    65.035  2.9026  64.202  2.8150  0.8338242      4.043398 
1 1 1 9   -21 25 o 24.495  2.4244  82.678    15.216    102.549   22.235    65.176    20.867    27.374  3.0863  21.615  3.7396  5.759880       4.848751 
1 1 1 9   -21 26 o 45.962  1.9656  286.653   24.064    281.271   34.559    291.719   33.527    45.528  2.8483  46.397  2.7096  -0.8694115     3.931232 
1 1 1 9   -21 27 o 29.176  2.2653  116.775   17.389    119.764   25.354    114.121   23.894    29.518  3.2612  28.833  3.1449  0.6856041      4.530546 
1 1 1 9   -21 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -21 29 o 15.345  3.0634  33.851    13.323    26.544    19.810    39.885    18.002    14.011  4.5829  16.679  4.0663  -2.668691      6.126815 
1 1 1 9   -21 30 o 45.049  2.1356  277.639   25.548    307.231   37.019    250.727   35.302    47.376  2.9317  42.722  3.1063  4.653282       4.271271 
1 1 1 9   -21 31 o 27.039  2.7057  105.997   18.303    76.584    26.372    133.332   25.423    23.027  4.4366  31.050  3.0982  -8.022673      5.411315 
1 1 1 9   -21 32 o 57.446  2.1646  453.709   33.157    480.199   47.834    429.208   46.003    59.077  3.0332  55.816  3.0891  3.260506       4.329277 
1 1 1 9   -21 33 o 18.844  3.0985  51.478    15.433    65.057    22.903    40.185    20.887    21.157  4.1897  16.532  4.5661  4.625546       6.197027 
1 1 1 9   -21 34 o 15.005  3.2106  30.523    15.234    50.628    22.066    12.217    21.056    18.457  4.5033  11.552  4.5772  6.904822       6.421115 
1 1 1 9   -21 35 o 12.886  3.2312  17.561    15.396    37.669    22.333    -0.6486   21.253    15.886  4.8243  9.8863  4.2998  5.999551       6.462367 
1 1 1 9   -21 36 f 20.579  3.2868  65.330    17.859    80.144    24.947    49.755    25.578    23.256  4.1575  17.903  5.0920  5.353050       6.573658 
1 1 1 9   -21 37 o 12.230  3.3549  17.517    15.714    17.278    22.137    17.760    22.309    12.184  4.7329  12.276  4.7561  -0.9222603E-01 6.709746 
1 1 1 9   -21 38 o 21.155  3.4925  71.697    19.445    76.140    27.577    67.304    27.421    21.897  4.8315  20.412  5.0445  1.485291       6.985017 
1 1 1 9   -21 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -21 40 o 12.137  3.5327  17.335    18.519    20.493    26.621    14.374    25.778    12.542  5.0857  11.732  4.9047  0.8102760      7.065424 
1 1 1 9   -21 41 o 12.554  3.5949  21.614    19.203    11.408    27.665    31.103    26.676    11.424  4.9370  13.685  5.2268  -2.261086      7.189817 
1 1 1 9   -21 42 o 5.9453  2.1152  -55.2442  14.694    -69.4167  20.127    -39.0710  21.501    5.2482  2.6666  6.6424  3.2843  -1.394216      4.230492 
1 1 1 9   -21 43 o 21.609  3.3190  89.760    18.098    60.992    31.614    103.783   22.073    17.206  5.7945  26.012  3.2382  -8.805765      6.637928 
1 1 1 9   -21 44 o 9.7557  2.9430  9.2144    13.571    -11.6200  28.007    15.607    15.514    9.1949  4.3414  10.316  3.9747  -1.121506      5.886034 
1 1 1 9   -21 45 o 11.493  3.1619  22.121    16.008    -8.3468   29.783    34.500    18.984    9.4141  4.4546  13.572  4.4886  -4.157823      6.323817 
1 1 1 9   -21 46 o 9.3257  3.0357  -3.5697   13.921    31.042    30.309    -12.8240  15.672    12.074  5.1927  6.5776  3.1459  5.496086       6.071323 
1 1 1 9   -20 0  o 124.454 2.7407  2082.90   91.333    2037.07   129.690   2127.99   128.644   123.089 3.9337  125.820 3.8173  -2.731537      5.481353 
1 1 1 9   -20 1  o 60.248  1.9591  487.487   31.584    466.110   44.898    508.426   44.437    58.936  2.8442  61.559  2.6950  -2.623440      3.918247 
1 1 1 9   -20 2  o 185.852 3.7311  4659.71   185.609   4478.14   263.069   4839.70   261.918   182.217 5.3900  189.486 5.1606  -7.268829      7.462173 
1 1 1 9   -20 3  o 66.374  2.0016  591.125   35.585    593.344   50.527    588.942   50.124    66.497  2.8368  66.251  2.8247  0.2465744      4.003281 
1 1 1 9   -20 4  o 211.395 4.1358  6036.00   234.072   5846.19   331.619   6224.46   330.440   208.051 5.9509  214.738 5.7451  -6.686752      8.271552 
1 1 1 9   -20 5  f 125.031 2.7228  2101.80   91.152    2046.72   129.357   2156.12   128.465   123.396 3.9138  126.666 3.7865  -3.269966      5.445667 
1 1 1 9   -20 6  o 108.764 2.4869  1589.36   72.430    1553.40   102.651   1625.01   102.215   107.534 3.5639  109.994 3.4694  -2.459602      4.973746 
1 1 1 9   -20 7  o 115.883 2.5867  1804.32   80.287    1798.78   113.665   1809.83   113.422   115.704 3.6676  116.061 3.6485  -0.3568954     5.173346 
1 1 1 9   -20 8  o 144.931 3.0116  2825.69   116.908   2806.76   165.367   2844.59   165.300   144.444 4.2743  145.418 4.2439  -0.9747925     6.023281 
1 1 1 9   -20 9  o 24.274  2.4957  80.684    15.649    69.438    21.634    93.027    22.665    22.435  3.7313  26.112  3.3153  -3.677685      4.991323 
1 1 1 9   -20 10 o 41.182  1.9364  228.156   21.218    218.663   29.255    238.691   30.820    40.277  2.7279  42.087  2.7490  -1.810253      3.872763 
1 1 1 9   -20 11 f 183.183 3.6093  4524.62   177.074   4591.31   250.129   4457.61   250.712   184.547 5.0602  181.819 5.1481  2.727814       7.218632 
1 1 1 9   -20 12 o 61.053  1.9265  500.059   31.494    495.591   43.916    504.790   45.189    60.774  2.6979  61.333  2.7508  -0.5591164     3.852962 
1 1 1 9   -20 13 o 139.349 2.8637  2612.04   106.885   2593.16   150.689   2631.17   151.632   138.842 4.0520  139.857 4.0478  -1.014679      5.727445 
1 1 1 9   -20 14 f 90.784  2.2154  1106.61   53.863    1080.55   75.671    1133.38   76.688    89.700  3.1496  91.869  3.1165  -2.169296      4.430848 
1 1 1 9   -20 15 o 176.433 3.5109  4198.74   165.912   4210.66   234.444   4186.79   234.826   176.686 4.9539  176.179 4.9763  0.5071411      7.021704 
1 1 1 9   -20 16 o 82.029  2.1070  903.672   46.285    882.145   65.414    925.256   65.501    81.048  3.0133  83.010  2.9460  -1.961876      4.214091 
1 1 1 9   -20 17 o 56.440  1.8888  427.596   28.552    427.453   40.604    427.736   40.158    56.430  2.6864  56.450  2.6559  -0.2009201E-01 3.777653 
1 1 1 9   -20 18 o 118.923 2.6329  1903.20   83.863    1886.53   118.895   1919.72   118.308   118.401 3.7490  119.446 3.6979  -1.044746      5.265886 
1 1 1 9   -20 19 o 165.610 3.3361  3703.50   147.984   3722.45   209.804   3684.74   208.762   166.031 4.7178  165.188 4.7183  0.8434296      6.672292 
1 1 1 9   -20 20 f 108.406 2.4781  1581.41   71.927    1644.92   102.539   1519.89   100.921   110.554 3.4628  106.257 3.5460  4.297256       4.956279 
1 1 1 9   -20 21 o 57.103  1.9254  437.549   29.420    465.647   42.438    411.550   40.821    58.867  2.6915  55.338  2.7540  3.529377       3.850808 
1 1 1 9   -20 22 o 79.058  2.1203  840.761   44.885    851.090   64.377    830.990   62.614    79.527  3.0223  78.588  2.9746  0.9387665      4.240519 
1 1 1 9   -20 23 o 77.544  2.1157  808.388   43.896    862.720   63.365    758.255   60.867    80.050  2.9553  75.037  3.0284  5.012779       4.231425 
1 1 1 9   -20 24 o 44.289  2.0003  264.390   23.564    279.836   34.575    250.994   32.200    45.494  2.8518  43.083  2.8057  2.411003       4.000567 
1 1 1 9   -20 25 o 59.319  2.0249  476.236   32.021    451.372   46.208    499.206   44.414    57.768  2.9967  60.870  2.7241  -3.101891      4.049781 
1 1 1 9   -20 26 o 17.237  3.0566  42.520    14.567    26.826    21.006    57.058    20.218    14.306  4.7211  20.168  3.8836  -5.861566      6.113171 
1 1 1 9   -20 27 o 70.927  2.1117  680.554   40.102    680.590   57.516    680.520   55.944    70.918  3.0279  70.935  2.9444  -0.1626587E-01 4.223487 
1 1 1 9   -20 28 o 26.351  2.4528  95.803    16.853    104.494   24.474    87.965    23.241    27.521  3.3919  25.181  3.5440  2.339987       4.905537 
1 1 1 9   -20 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -20 30 o 40.775  2.1382  229.277   23.003    205.923   33.332    250.512   31.784    38.700  3.2456  42.850  2.7844  -4.149586      4.276309 
1 1 1 9   -20 31 o 20.327  2.9269  59.253    15.390    61.232    22.100    57.389    21.444    20.664  4.1373  19.989  4.1413  0.6744137      5.853876 
1 1 1 9   -20 32 o 16.545  3.2723  39.802    15.054    39.011    22.069    40.491    20.587    16.406  4.7497  16.685  4.5023  -0.2793827     6.544512 
1 1 1 9   -20 33 o 10.602  2.9312  4.7936    13.435    22.220    18.964    -12.7674  19.037    12.994  4.4856  8.2095  3.7745  4.784611       5.862364 
1 1 1 9   -20 34 o 25.496  2.8508  93.063    18.780    102.199   27.395    84.963    25.795    26.730  3.9448  24.261  4.1167  2.469343       5.701620 
1 1 1 9   -20 35 o 30.772  2.6264  135.846   20.965    119.306   30.263    151.110   29.072    28.773  4.0379  32.771  3.3596  -3.997896      5.252711 
1 1 1 9   -20 36 o 38.154  2.4468  206.428   24.579    233.769   35.233    180.509   34.305    40.753  3.2550  35.556  3.6541  5.197010       4.893603 
1 1 1 9   -20 37 o 10.064  2.9856  -6.3682   15.370    20.811    22.383    -30.6205  21.143    12.819  4.8125  7.3082  3.5348  5.510924       5.971210 
1 1 1 9   -20 38 o 22.206  3.4380  77.915    19.962    64.116    28.231    91.713    28.231    19.935  5.2241  24.477  4.4708  -4.541746      6.875961 
1 1 1 9   -20 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -20 40 o 44.607  2.6866  300.514   31.791    305.328   45.077    295.750   44.842    44.996  3.7751  44.218  3.8238  0.7776031      5.373287 
1 1 1 9   -20 41 o 19.033  3.8786  65.826    20.958    72.130    29.541    59.437    29.739    20.085  5.3821  17.981  5.5864  2.103758       7.757241 
1 1 1 9   -20 42 o 17.588  3.3853  56.958    16.422    43.964    29.474    62.807    19.776    15.332  5.5629  19.845  3.8595  -4.513503      6.770641 
1 1 1 9   -20 43 o 19.581  3.4341  66.246    17.014    74.954    30.388    62.270    20.534    19.728  5.5289  19.434  4.0748  0.2939911      6.868262 
1 1 1 9   -20 44 o 12.404  2.9805  26.665    14.665    -13.1847  28.450    41.085    17.114    9.2326  4.3641  15.576  4.0605  -6.343536      5.960985 
1 1 1 9   -20 45 o 8.8398  2.9097  -6.2288   13.791    11.093    28.556    -11.4977  15.749    10.816  4.8307  6.8633  3.2451  3.953048       5.819470 
1 1 1 9   -20 46 o 7.4837  2.5944  -21.3837  11.710    7.4829    27.038    -28.0487  12.992    10.031  4.5688  4.9365  2.4596  5.094370       5.188780 
1 1 1 9   -19 0  o 120.664 2.6847  1957.03   86.731    1899.90   123.096   2013.35   122.220   118.908 3.8650  122.421 3.7273  -3.512978      5.369439 
1 1 1 9   -19 1  o 147.646 3.0791  2933.98   121.660   2804.59   172.584   3061.79   171.526   144.392 4.4624  150.900 4.2438  -6.507523      6.158130 
1 1 1 9   -19 2  o 159.319 3.2786  3418.06   139.788   3265.78   198.181   3568.85   197.201   155.766 4.7501  162.872 4.5204  -7.105850      6.557204 
1 1 1 9   -19 3  o 113.666 2.5356  1736.64   77.128    1660.74   109.489   1811.41   108.668   111.190 3.6763  116.141 3.4932  -4.951447      5.071296 
1 1 1 9   -19 4  o 86.938  2.1893  1014.94   50.950    977.426   72.241    1052.06   71.868    85.335  3.1606  88.541  3.0304  -3.206177      4.378700 
1 1 1 9   -19 5  o 99.548  2.3237  1330.35   61.951    1357.19   87.914    1303.87   87.311    100.546 3.2644  98.549  3.3077  1.997726       4.647304 
1 1 1 9   -19 6  o 74.389  2.0296  742.531   40.437    735.526   57.303    749.480   57.071    74.038  2.8896  74.739  2.8509  -0.7009201     4.059181 
1 1 1 9   -19 7  o 57.202  3.9768  441.907   60.551    0.0000    0.0000    441.907   60.551    ?       ?       57.202  3.9768  ?              ?        
1 1 1 9   -19 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -19 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -19 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -19 11 o 120.648 5.3517  1963.07   172.941   0.0000    0.0000    1963.07   172.941   ?       ?       120.648 5.3517  ?              ?        
1 1 1 9   -19 12 o 80.185  2.0628  862.744   44.279    824.323   62.145    902.364   63.107    78.369  2.9606  82.000  2.8733  -3.631050      4.125598 
1 1 1 9   -19 13 o 135.081 2.8027  2453.56   101.403   2461.65   143.014   2445.38   143.800   135.308 3.9461  134.855 3.9811  0.4526367      5.605434 
1 1 1 9   -19 14 o 291.410 5.5280  11554.64  431.458   11677.65  609.997   11431.49  610.351   292.989 7.7730  289.832 7.8622  3.156342       11.05592 
1 1 1 9   -19 15 o 41.874  1.8829  237.081   20.909    212.835   29.723    260.830   29.418    39.724  2.8117  44.024  2.5051  -4.299450      3.765793 
1 1 1 9   -19 16 o 93.311  2.2476  1169.30   56.174    1176.20   79.588    1162.44   79.296    93.585  3.1751  93.036  3.1821  0.5496216      4.495186 
1 1 1 9   -19 17 o 247.381 4.7626  8303.33   315.532   8154.14   446.436   8452.24   446.024   245.130 6.7994  249.632 6.6707  -4.501785      9.525241 
1 1 1 9   -19 18 o 50.070  1.8705  337.204   24.989    347.002   35.834    327.927   34.867    50.780  2.6437  49.361  2.6468  1.419476       3.740983 
1 1 1 9   -19 19 o 41.060  1.9010  226.827   20.770    240.282   30.127    214.639   28.675    42.224  2.6776  39.896  2.6992  2.328407       3.802062 
1 1 1 9   -19 20 o 59.292  1.9185  471.910   30.429    474.188   44.206    469.859   41.949    59.424  2.7773  59.159  2.6473  0.2645950      3.836919 
1 1 1 9   -19 21 o 127.663 2.7707  2195.01   94.726    2253.67   135.077   2138.24   132.874   129.345 3.8989  125.982 3.9377  3.363441       5.541400 
1 1 1 9   -19 22 o 69.097  2.0343  641.770   37.615    639.850   54.325    643.539   52.135    68.992  2.9398  69.202  2.8127  -0.2094727     4.068579 
1 1 1 9   -19 23 o 51.558  1.9603  358.608   26.933    353.911   38.987    362.895   37.249    51.224  2.8529  51.892  2.6892  -0.6684799     3.920541 
1 1 1 9   -19 24 o 103.991 2.4724  1459.26   68.833    1426.06   98.102    1491.44   96.604    102.812 3.5624  105.170 3.4294  -2.358559      4.944849 
1 1 1 9   -19 25 o 85.634  2.2817  991.058   52.224    933.428   74.678    1046.22   73.062    83.169  3.3523  88.099  3.0962  -4.930725      4.563365 
1 1 1 9   -19 26 o 63.779  2.1174  550.630   36.021    517.965   51.615    581.641   50.292    61.871  3.1247  65.687  2.8585  -3.815983      4.234898 
1 1 1 9   -19 27 o 38.434  2.1086  200.755   21.515    198.698   31.028    202.660   29.858    38.229  3.0557  38.638  2.9064  -0.4088364     4.217189 
1 1 1 9   -19 28 o 40.992  2.0614  228.558   22.450    224.199   32.467    232.552   31.078    40.597  3.0072  41.388  2.8202  -0.7914505     4.122717 
1 1 1 9   -19 29 o 20.286  2.9073  60.201    15.185    42.648    22.355    75.240    20.692    17.294  4.7021  23.279  3.4206  -5.984577      5.814665 
1 1 1 9   -19 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -19 31 o 30.961  2.3470  132.314   19.003    153.757   27.563    112.887   26.235    33.430  3.1141  28.491  3.5122  4.939022       4.693923 
1 1 1 9   -19 32 o 30.661  2.4028  130.582   19.386    137.268   27.719    124.181   27.122    31.455  3.3411  29.866  3.4541  1.589132       4.805604 
1 1 1 9   -19 33 o 29.774  2.4508  123.769   19.142    133.353   27.470    114.721   26.690    30.941  3.3691  28.608  3.5602  2.332983       4.901614 
1 1 1 9   -19 34 o 24.470  2.7646  85.326    17.369    101.443   25.272    70.899    23.910    26.805  3.6119  22.134  4.1864  4.670990       5.529185 
1 1 1 9   -19 35 o 8.6497  2.6970  -9.8773   13.327    -30.1231  19.772    6.9795    18.041    7.0686  3.4188  10.231  4.1722  -3.162189      5.393988 
1 1 1 9   -19 36 o 61.177  2.3300  523.831   38.037    528.709   53.698    518.919   53.888    61.481  3.2726  60.872  3.3176  0.6089439      4.660080 
1 1 1 9   -19 37 o 38.361  2.5169  210.175   25.479    191.101   35.752    229.859   36.320    36.478  3.7108  40.244  3.4013  -3.766533      5.033755 
1 1 1 9   -19 38 o 31.188  2.8801  143.878   23.463    137.990   33.135    149.800   33.230    30.472  4.1690  31.903  3.9749  -1.430544      5.760262 
1 1 1 9   -19 39 o 15.773  3.7555  39.157    19.105    49.057    27.207    29.526    26.835    17.308  5.3377  14.237  5.2842  3.070543       7.510919 
1 1 1 9   -19 40 o 18.638  3.7782  53.085    18.216    0.0000    0.0000    53.085    18.216    ?       ?       18.638  3.7782  ?              ?        
1 1 1 9   -19 41 o 12.309  3.2475  21.268    13.522    26.779    24.426    18.833    16.236    13.220  5.0129  11.398  4.1299  1.822053       6.494976 
1 1 1 9   -19 42 o 15.908  3.3821  45.049    15.347    37.421    28.645    48.121    18.176    14.558  5.4483  17.258  4.0087  -2.699746      6.764188 
1 1 1 9   -19 43 o 15.880  3.5775  43.349    16.169    55.561    29.196    37.946    19.419    16.930  5.5649  14.829  4.4975  2.101712       7.155095 
1 1 1 9   -19 44 o 11.261  3.3026  15.950    14.925    20.926    28.851    14.131    17.441    12.156  5.1414  10.366  4.1466  1.790918       6.605172 
1 1 1 9   -19 45 o 19.578  3.6959  73.752    18.977    78.067    33.962    71.794    22.883    18.830  5.9867  20.325  4.3355  -1.494986      7.391757 
1 1 1 9   -19 46 o 11.961  3.2198  26.671    16.265    -2.2795   30.770    37.897    19.160    9.8154  4.6083  14.106  4.4980  -4.290401      6.439582 
1 1 1 9   -19 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -18 0  o 132.629 2.8697  2363.93   101.941   2374.38   144.749   2353.66   143.592   132.919 4.0658  132.340 4.0509  0.5793915      5.739338 
1 1 1 9   -18 1  o 100.934 2.9200  1384.60   74.560    1321.74   127.076   1417.60   92.074    99.106  4.7871  102.763 3.3451  -3.657166      5.840078 
1 1 1 9   -18 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -18 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -18 4  o 168.314 4.2237  3888.15   178.102   4018.23   218.527   3630.80   307.367   172.814 4.7211  163.815 7.0051  8.998337       8.447474 
1 1 1 9   -18 5  o 93.347  2.2107  1169.33   55.273    1178.97   78.426    1159.80   77.912    93.730  3.1239  92.965  3.1289  0.7655716      4.421388 
1 1 1 9   -18 6  o 143.003 2.9941  2749.14   114.682   2732.23   162.368   2765.97   162.002   142.562 4.2521  143.444 4.2165  -0.8821716     5.988274 
1 1 1 9   -18 7  o 124.029 2.6731  2066.61   88.788    2021.44   125.456   2111.93   125.675   122.667 3.8183  125.390 3.7419  -2.723068      5.346187 
1 1 1 9   -18 8  f 97.527  2.2831  1276.85   59.606    1221.56   83.965    1333.02   84.629    95.395  3.2861  99.659  3.1704  -4.264923      4.566193 
1 1 1 9   -18 9  o 207.711 4.0391  5819.29   224.713   5791.15   317.456   5847.54   318.130   207.206 5.7199  208.217 5.7043  -1.010468      8.078155 
1 1 1 9   -18 10 o 195.507 3.8198  5152.63   200.017   5211.96   282.566   5093.04   283.168   196.644 5.3648  194.370 5.4391  2.273514       7.639659 
1 1 1 9   -18 11 o 225.325 4.3384  6858.05   261.817   6760.06   369.810   6956.53   370.722   223.699 6.1720  226.950 6.0986  -3.250595      8.676764 
1 1 1 9   -18 12 o 118.047 2.5404  1871.80   80.321    1853.28   113.146   1890.62   114.041   117.458 3.5964  118.636 3.5889  -1.178085      5.080741 
1 1 1 9   -18 13 o 71.339  2.6836  686.431   50.981    676.594   74.293    695.186   70.088    70.838  3.9310  71.840  3.6544  -1.002106      5.367267 
1 1 1 9   -18 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -18 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -18 16 o 143.000 3.6500  2757.37   131.529   2758.88   228.620   2756.63   160.808   142.860 5.9747  143.139 4.1943  -0.2791443     7.299920 
1 1 1 9   -18 17 o 7.7791  2.4919  -9.2359   11.154    -8.2074   16.381    -10.1251  15.230    8.0606  3.6249  7.4977  3.4204  0.5628767      4.983883 
1 1 1 9   -18 18 o 112.305 2.5176  1694.85   75.724    1712.63   107.954   1677.64   106.247   112.883 3.5704  111.727 3.5503  1.156815       5.035165 
1 1 1 9   -18 19 f 51.439  1.9311  356.491   26.477    341.148   38.306    370.528   36.637    50.331  2.8532  52.547  2.6031  -2.216591      3.862200 
1 1 1 9   -18 20 o 199.056 3.9187  5357.42   208.922   5320.93   296.461   5393.43   294.469   198.369 5.5796  199.742 5.5040  -1.372589      7.837498 
1 1 1 9   -18 21 o 153.888 3.1682  3192.50   130.580   3243.52   185.787   3142.69   183.569   155.105 4.4720  152.671 4.4890  2.433975       6.336423 
1 1 1 9   -18 22 f 75.711  2.0844  769.695   42.251    784.832   60.846    755.600   58.715    76.427  2.9723  74.994  2.9230  1.432777       4.168766 
1 1 1 9   -18 23 o 33.961  2.1221  157.551   18.914    143.517   27.878    169.518   25.745    32.504  3.2455  35.417  2.7350  -2.913166      4.244210 
1 1 1 9   -18 24 o 111.761 2.5912  1684.45   77.535    1646.45   110.387   1721.47   108.929   110.503 3.7296  113.019 3.5984  -2.515839      5.182460 
1 1 1 9   -18 25 o 67.848  2.1038  619.615   38.224    621.891   54.676    617.440   53.458    67.967  3.0034  67.730  2.9467  0.2370605      4.207560 
1 1 1 9   -18 26 o 36.845  2.2230  185.538   21.549    172.019   31.752    197.081   29.341    35.545  3.3756  38.145  2.8933  -2.599678      4.445905 
1 1 1 9   -18 27 f 43.886  2.1217  263.241   24.552    229.625   35.395    294.416   34.086    41.107  3.2410  46.665  2.7390  -5.558025      4.243386 
1 1 1 9   -18 28 o 30.965  2.3214  131.508   18.755    153.921   26.887    110.270   26.173    33.619  3.0180  28.311  3.5281  5.308538       4.642851 
1 1 1 9   -18 29 o 85.893  2.3250  1001.02   53.478    980.693   75.769    1021.20   75.489    85.010  3.3276  86.775  3.2479  -1.764603      4.649919 
1 1 1 9   -18 30 o 54.375  4.5878  410.765   66.193    410.765   66.193    0.0000    0.0000    54.375  4.5878  ?       ?       ?              ?        
1 1 1 9   -18 31 o 39.664  2.5111  206.451   25.560    260.465   43.278    177.517   31.675    43.414  3.7588  35.914  3.3307  7.500092       5.022160 
1 1 1 9   -18 32 o 41.270  2.1947  234.046   24.062    228.698   34.461    239.135   33.613    40.782  3.1799  41.758  3.0257  -0.9758835     4.389382 
1 1 1 9   -18 33 o 13.939  2.9096  21.980    14.094    50.324    20.284    -4.4802   19.599    18.660  4.1639  9.2167  4.0652  9.443688       5.819280 
1 1 1 9   -18 34 o 41.955  2.3036  243.632   25.663    257.343   36.808    230.663   35.798    43.130  3.2092  40.781  3.3057  2.348976       4.607282 
1 1 1 9   -18 35 o 15.165  3.3423  32.858    15.195    39.492    21.682    26.455    21.300    16.388  4.6973  13.943  4.7560  2.444776       6.684621 
1 1 1 9   -18 36 o 32.848  2.5715  152.937   22.192    141.076   31.088    165.262   31.689    31.474  3.7622  34.222  3.5066  -2.748522      5.143025 
1 1 1 9   -18 37 o 15.288  3.5997  34.155    17.290    37.172    24.555    31.188    24.350    15.797  5.0977  14.779  5.0839  1.018771       7.199483 
1 1 1 9   -18 38 o 10.243  3.1608  0.4617    16.075    3.0208    20.403    -3.7267   26.102    10.034  4.2864  10.452  4.6465  -0.4178286     6.321584 
1 1 1 9   -18 39 o 21.982  3.0886  81.073    16.549    53.033    28.107    95.952    20.474    18.046  5.3968  25.917  3.0052  -7.871029      6.177100 
1 1 1 9   -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -18 41 o 20.750  3.3054  72.457    17.085    64.247    30.198    76.322    20.720    19.030  5.5694  22.469  3.5615  -3.439651      6.610818 
1 1 1 9   -18 42 f 20.980  3.3645  78.588    17.975    61.216    30.932    87.446    22.088    18.068  5.7101  23.892  3.5602  -5.824879      6.729085 
1 1 1 9   -18 43 o 26.234  2.9991  104.184   19.582    146.321   33.877    83.040    23.998    29.839  4.3681  22.629  4.1107  7.209475       5.998156 
1 1 1 9   -18 44 o 47.005  2.5858  346.031   31.031    344.499   50.695    346.949   39.241    45.912  4.1678  48.098  3.0619  -2.185825      5.171617 
1 1 1 9   -18 45 o 16.863  3.6163  55.826    17.579    50.941    32.067    57.925    21.018    15.482  5.7705  18.245  4.3603  -2.763723      7.232599 
1 1 1 9   -18 46 o 7.2112  2.5131  -24.2383  13.698    -16.7276  27.455    -26.7275  15.805    8.6240  4.1349  5.7984  2.8574  2.825599       5.026127 
1 1 1 9   -18 47 f 13.667  5.5864  47.936    32.439    47.936    32.439    0.0000    0.0000    13.667  5.5864  ?       ?       ?              ?        
1 1 1 9   -17 0  f 132.506 2.8609  2358.96   101.535   2354.73   144.113   2363.14   143.077   132.386 4.0642  132.626 4.0276  -0.2398376     5.721835 
1 1 1 9   -17 1  f 197.336 3.8430  5245.25   203.110   5191.77   287.913   5298.23   286.573   196.326 5.4751  198.346 5.3942  -2.019440      7.685950 
1 1 1 9   -17 2  o 15.607  2.2302  33.964    8.9994    29.478    12.728    38.450    12.726    14.532  3.3400  16.683  2.9562  -2.151484      4.460368 
1 1 1 9   -17 3  o 142.792 2.9922  2741.28   114.372   2641.60   162.173   2839.91   161.324   140.198 4.3186  145.385 4.1428  -5.187561      5.984405 
1 1 1 9   -17 4  o 302.364 5.7209  12399.44  463.037   11907.88  655.006   12890.47  654.660   296.297 8.2533  308.431 7.9244  -12.13446      11.44177 
1 1 1 9   -17 5  o 99.528  2.2941  1329.82   61.120    1277.71   86.501    1381.78   86.373    97.576  3.3097  101.480 3.1777  -3.904037      4.588238 
1 1 1 9   -17 6  o 129.866 2.7435  2265.73   95.386    2184.26   134.848   2347.32   134.946   127.522 3.9479  132.210 3.8107  -4.687469      5.487053 
1 1 1 9   -17 7  o 117.641 2.5679  1858.40   80.875    1785.08   114.060   1932.52   114.691   115.302 3.6932  119.979 3.5689  -4.677536      5.135863 
1 1 1 9   -17 8  o 94.386  2.2053  1195.21   55.718    1139.22   78.246    1252.81   79.361    92.141  3.1704  96.632  3.0662  -4.490578      4.410577 
1 1 1 9   -17 9  o 151.538 3.0560  3086.73   124.019   3010.69   174.871   3163.68   175.912   149.655 4.3625  153.421 4.2808  -3.765900      6.112000 
1 1 1 9   -17 10 o 16.957  2.3050  39.973    10.064    38.697    14.739    41.089    13.775    16.676  3.4146  17.238  3.0972  -0.5621929     4.610062 
1 1 1 9   -17 11 o 7.7803  2.2978  0.9987    8.0583    4.0236    11.524    -1.8959   11.273    8.3283  3.3568  7.2324  3.1385  1.095908       4.595504 
1 1 1 9   -17 12 o 91.987  2.1521  1135.58   53.018    1147.15   74.684    1123.82   75.276    92.461  3.0156  91.512  3.0711  0.9482269      4.304121 
1 1 1 9   -17 13 o 120.554 2.5646  1952.09   82.807    1927.55   116.983   1976.74   117.231   119.793 3.6459  121.316 3.6078  -1.522507      5.129175 
1 1 1 9   -17 14 o 75.036  1.9488  755.332   39.164    767.570   55.592    743.273   55.183    75.640  2.7439  74.432  2.7679  1.207970       3.897519 
1 1 1 9   -17 15 o 70.421  1.9155  665.161   36.125    676.317   51.567    654.410   50.624    71.001  2.7116  69.842  2.7062  1.159142       3.830913 
1 1 1 9   -17 16 o 110.423 2.4383  1637.86   72.062    1722.72   102.538   1555.04   101.295   113.256 3.3801  107.591 3.5150  5.665436       4.876528 
1 1 1 9   -17 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -17 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -17 19 o 37.892  1.9863  192.137   19.928    216.702   29.736    172.111   26.849    40.086  2.7868  35.698  2.8312  4.388340       3.972646 
1 1 1 9   -17 20 o 191.099 3.8073  4932.70   194.829   4828.66   276.416   5035.42   274.652   189.074 5.4581  193.124 5.3096  -4.049698      7.614611 
1 1 1 9   -17 21 o 147.695 3.1115  2939.93   123.035   2860.58   174.847   3017.76   173.162   145.704 4.4802  149.686 4.3190  -3.981476      6.223023 
1 1 1 9   -17 22 o 87.233  2.2155  1022.83   51.732    1008.77   74.190    1036.15   72.171    86.643  3.1969  87.822  3.0681  -1.179680      4.430919 
1 1 1 9   -17 23 f 143.546 3.0401  2778.53   116.877   2759.46   166.020   2797.28   164.568   143.050 4.3329  144.043 4.2655  -0.9924469     6.080165 
1 1 1 9   -17 24 o 130.774 2.9044  2306.58   101.728   2303.62   144.515   2309.49   143.224   130.686 4.1285  130.862 4.0862  -0.1758881     5.808726 
1 1 1 9   -17 25 o 52.969  2.0386  377.970   28.793    389.038   41.727    367.910   39.780    53.707  2.9116  52.231  2.8543  1.475636       4.077270 
1 1 1 9   -17 26 o 94.881  2.3756  1213.57   60.368    1230.73   85.848    1196.78   84.907    95.546  3.3545  94.217  3.3646  1.328911       4.751112 
1 1 1 9   -17 27 o 31.354  2.3774  134.208   19.381    162.020   28.114    109.023   26.753    34.533  3.0716  28.175  3.6295  6.358341       4.754773 
1 1 1 9   -17 28 o 36.398  2.2079  180.286   21.294    177.954   30.703    182.447   29.557    36.155  3.2037  36.642  3.0391  -0.4864769     4.415826 
1 1 1 9   -17 29 o 88.807  2.3677  1069.04   56.287    1111.88   79.626    1026.26   79.577    90.606  3.2810  87.007  3.4146  3.599007       4.735485 
1 1 1 9   -17 30 o 29.680  2.3796  122.267   18.114    152.337   25.917    93.549    25.328    33.419  2.9248  25.941  3.7545  7.477861       4.759296 
1 1 1 9   -17 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -17 32 o 42.780  2.1757  250.806   24.745    261.438   35.018    240.202   34.972    43.711  3.0093  41.849  3.1429  1.861927       4.351337 
1 1 1 9   -17 33 o 20.950  2.9431  64.479    15.914    41.251    22.558    87.491    22.453    16.882  4.7751  25.017  3.4419  -8.135176      5.886273 
1 1 1 9   -17 34 o 32.916  2.4326  150.753   21.101    141.033   29.361    161.135   30.345    31.784  3.5072  34.047  3.3718  -2.262754      4.865137 
1 1 1 9   -17 35 o 44.722  2.2956  277.484   27.296    284.972   38.373    269.816   38.835    45.368  3.1779  44.076  3.3137  1.291355       4.591291 
1 1 1 9   -17 36 o 10.677  3.1611  5.0798    15.177    6.7835    20.790    3.1359    22.207    10.762  4.4439  10.592  4.4968  0.1705103      6.322160 
1 1 1 9   -17 37 o 23.382  2.6605  76.293    15.602    89.677    26.166    68.910    19.435    24.807  4.0799  21.957  3.4156  2.849794       5.320919 
1 1 1 9   -17 38 o 39.827  2.2063  217.836   22.879    251.605   37.073    197.062   29.077    42.148  3.3105  37.507  2.9173  4.640976       4.412508 
1 1 1 9   -17 39 o 18.724  3.0267  46.175    14.541    83.931    25.983    28.958    17.546    23.569  4.2732  13.878  4.2876  9.691393       6.053370 
1 1 1 9   -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -17 41 o 17.108  3.1947  42.869    14.371    65.871    25.180    31.757    17.501    20.059  4.7584  14.158  4.2641  5.900722       6.389431 
1 1 1 9   -17 42 f 26.032  3.0042  105.748   19.294    115.771   32.955    100.521   23.799    26.355  4.8470  25.709  3.5508  0.6459522      6.008456 
1 1 1 9   -17 43 o 19.439  3.4619  68.751    17.719    57.251    31.127    74.264    21.552    17.223  5.7500  21.656  3.8570  -4.432755      6.923759 
1 1 1 9   -17 44 o 34.247  2.7593  182.332   23.804    204.008   40.382    170.789   29.468    35.060  4.3969  33.434  3.3351  1.626232       5.518622 
1 1 1 9   -17 45 o 11.346  3.2577  18.683    15.638    3.6496    29.746    24.425    18.383    10.592  4.8119  12.100  4.3928  -1.507686      6.515457 
1 1 1 9   -17 46 o 13.440  3.5750  34.411    16.535    36.792    32.356    33.570    19.237    13.403  5.5398  13.477  4.5201  -0.7389832E-01 7.149913 
1 1 1 9   -17 47 o 15.305  3.7848  54.186    18.962    54.456    35.398    54.077    22.456    14.320  5.8425  16.290  4.8128  -1.969890      7.569531 
1 1 1 9   -16 0  o 115.281 2.5703  1783.79   79.364    1798.19   112.730   1769.65   111.751   115.742 3.6363  114.820 3.6337  0.9218521      5.140654 
1 1 1 9   -16 1  o 103.202 2.4138  1430.56   66.651    1361.66   94.637    1498.36   93.884    100.729 3.5077  105.675 3.3169  -4.946602      4.827572 
1 1 1 9   -16 2  o 158.695 3.2222  3385.10   136.935   3320.58   194.201   3448.91   193.114   157.184 4.6127  160.206 4.5003  -3.022171      6.444356 
1 1 1 9   -16 3  o 234.139 4.5212  7392.40   283.476   7227.53   401.389   7556.46   400.405   231.514 6.4729  236.763 6.3139  -5.248718      9.042324 
1 1 1 9   -16 4  o 48.038  1.7380  310.174   22.287    313.130   31.472    307.199   31.564    48.269  2.4422  47.806  2.4735  0.4626541      3.476000 
1 1 1 9   -16 5  o 163.311 3.2764  3584.39   143.311   3550.25   202.856   3618.41   202.489   162.532 4.6597  164.091 4.6071  -1.559097      6.552732 
1 1 1 9   -16 6  o 126.878 2.7077  2161.04   92.018    2152.17   130.088   2169.93   130.178   126.617 3.8358  127.139 3.8227  -0.5225296     5.415403 
1 1 1 9   -16 7  o 113.120 2.5002  1717.78   75.724    1770.07   106.951   1665.21   107.229   114.851 3.4766  111.390 3.5940  3.461510       5.000401 
1 1 1 9   -16 8  o 75.750  1.9555  769.377   39.646    730.048   55.653    809.902   56.493    73.783  2.8161  77.718  2.7139  -3.934265      3.910922 
1 1 1 9   -16 9  o 211.734 4.0568  6037.94   230.070   6009.18   325.036   6066.82   325.703   211.227 5.7451  212.240 5.7293  -1.013885      8.113623 
1 1 1 9   -16 10 o 217.645 4.1771  6383.32   243.507   6394.76   344.073   6371.85   344.669   217.842 5.8968  217.447 5.9178  0.3953094      8.354205 
1 1 1 9   -16 11 o 150.792 3.0366  3055.72   122.641   3081.45   173.206   3029.85   173.676   151.432 4.2703  150.153 4.3183  1.278854       6.073185 
1 1 1 9   -16 12 o 65.606  1.8469  577.341   32.436    553.692   45.786    601.169   45.958    64.255  2.6603  66.957  2.5626  -2.701469      3.693788 
1 1 1 9   -16 13 o 50.765  1.6873  345.623   22.935    341.064   32.738    350.017   32.140    50.435  2.4234  51.094  2.3485  -0.6595001     3.374639 
1 1 1 9   -16 14 o 207.340 4.0539  5797.71   225.118   5728.63   318.697   5866.51   318.034   206.098 5.7732  208.583 5.6925  -2.485718      8.107701 
1 1 1 9   -16 15 o 147.456 3.0393  2924.15   120.028   2893.88   170.323   2954.02   169.173   146.692 4.3349  148.219 4.2612  -1.526917      6.078597 
1 1 1 9   -16 16 o 38.950  1.7592  203.450   18.215    222.546   26.704    186.837   24.908    40.661  2.4635  37.239  2.5119  3.421963       3.518306 
1 1 1 9   -16 17 o 164.329 3.3325  3636.03   146.674   3642.47   208.457   3629.72   206.416   164.470 4.7320  164.189 4.6936  0.2809143      6.664965 
1 1 1 9   -16 18 o 161.385 3.9515  3511.78   162.464   3502.72   200.789   3528.98   276.470   161.280 4.6480  161.490 6.3916  -0.2100677     7.903000 
1 1 1 9   -16 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -16 20 o 85.600  2.2018  985.875   50.382    938.182   72.352    1030.77   70.199    83.578  3.2320  87.623  2.9911  -4.045113      4.403659 
1 1 1 9   -16 21 o 126.988 2.7842  2170.47   94.646    2102.06   134.552   2237.48   133.159   124.994 4.0189  128.982 3.8544  -3.987320      5.568469 
1 1 1 9   -16 22 o 102.519 2.4188  1412.71   66.404    1405.99   94.804    1419.20   93.041    102.275 3.4607  102.763 3.3802  -0.4878922     4.837630 
1 1 1 9   -16 23 o 45.024  2.0222  274.436   24.149    257.522   35.132    289.586   33.249    43.681  3.0213  46.368  2.6887  -2.686405      4.044452 
1 1 1 9   -16 24 o 115.142 2.6248  1784.47   80.921    1851.96   115.138   1718.59   113.753   117.301 3.6646  112.984 3.7589  4.317123       5.249629 
1 1 1 9   -16 25 o 33.048  2.1915  148.105   19.162    154.479   27.341    141.952   26.862    33.758  3.0569  32.337  3.1410  1.420746       4.382955 
1 1 1 9   -16 26 o 81.802  2.2514  900.747   49.324    919.226   70.173    882.702   69.345    82.633  3.1705  80.971  3.1974  1.661835       4.502806 
1 1 1 9   -16 27 o 94.704  2.4231  1210.18   61.449    1241.80   86.894    1178.54   86.910    95.951  3.3810  93.457  3.4719  2.493675       4.846199 
1 1 1 9   -16 28 o 176.419 3.6871  4254.73   174.204   4319.56   245.830   4189.34   246.897   177.804 5.1618  175.033 5.2663  2.771561       7.374182 
1 1 1 9   -16 29 o 14.579  3.1606  28.269    14.105    39.996    19.862    16.338    20.034    16.822  4.3690  12.335  4.5682  4.486588       6.321149 
1 1 1 9   -16 30 o 51.109  2.1061  354.546   28.706    349.477   40.422    359.704   40.773    50.737  2.9876  51.481  2.9695  -0.7436752     4.212297 
1 1 1 9   -16 31 o 27.953  5.6322  112.859   40.713    112.859   40.713    0.0000    0.0000    27.953  5.6322  ?       ?       ?              ?        
1 1 1 9   -16 32 o 27.807  2.5833  107.680   18.764    105.625   26.773    109.664   26.306    27.521  3.7280  28.094  3.5771  -0.5728378     5.166521 
1 1 1 9   -16 33 o 21.892  2.8852  68.366    16.288    69.656    22.742    67.007    23.338    22.138  3.9818  21.647  4.1765  0.4914532      5.770424 
1 1 1 9   -16 34 o 67.214  2.3121  622.029   41.493    644.643   57.979    598.289   59.406    68.564  3.1571  65.863  3.3788  2.701431       4.624225 
1 1 1 9   -16 35 f 18.661  2.8810  50.768    13.499    48.697    22.779    51.889    16.759    18.197  4.6547  19.124  3.3962  -0.9268646     5.761972 
1 1 1 9   -16 36 o 30.441  2.3704  133.253   18.046    116.871   29.197    143.380   22.955    28.631  3.9095  32.251  2.6817  -3.620039      4.740859 
1 1 1 9   -16 37 o 26.711  2.4750  98.263    16.798    114.577   27.928    89.016    21.026    28.295  3.7796  25.128  3.1964  3.166990       4.949959 
1 1 1 9   -16 38 o 54.028  2.2070  411.311   31.235    396.376   48.336    422.020   40.930    52.932  3.4276  55.124  2.7811  -2.191807      4.413963 
1 1 1 9   -16 39 f 10.717  2.8763  12.311    12.344    -8.1254   22.057    21.630    14.895    9.1844  4.1611  12.249  3.9722  -3.064910      5.752660 
1 1 1 9   -16 40 o 22.548  5.0161  81.399    29.512    81.399    29.512    0.0000    0.0000    22.548  5.0161  ?       ?       ?              ?        
1 1 1 9   -16 41 o 13.934  3.3166  29.824    13.850    30.857    25.779    29.405    16.421    14.135  5.1913  13.733  4.1291  0.4018669      6.633171 
1 1 1 9   -16 42 o 11.372  3.0907  17.580    12.996    12.458    22.883    20.019    15.790    11.146  4.6370  11.598  4.0875  -0.4520149     6.181398 
1 1 1 9   -16 43 o 30.080  2.9109  141.679   21.732    152.304   36.923    136.048   26.882    30.212  4.7170  29.947  3.4122  0.2649040      5.821768 
1 1 1 9   -16 44 f 8.6184  2.5158  -2.6573   12.393    -64.6871  24.832    17.916    14.301    6.3546  3.1986  10.882  3.8841  -4.527444      5.031657 
1 1 1 9   -16 45 o 11.737  3.1415  6.9947    14.116    50.471    26.268    -10.6583  16.738    16.196  5.2762  7.2783  3.4112  8.918074       6.282926 
1 1 1 9   -16 46 o 11.911  3.4621  17.970    15.632    42.348    31.458    9.9765    18.014    14.176  5.6017  9.6447  4.0699  4.531700       6.924119 
1 1 1 9   -16 47 o 15.299  3.8451  43.627    18.444    87.633    35.263    27.055    21.640    18.693  6.1144  11.904  4.6641  6.788502       7.690220 
1 1 1 9   -15 0  o 159.417 3.2846  3414.59   140.238   3376.86   198.807   3451.96   197.851   158.537 4.6818  160.298 4.6081  -1.761108      6.569134 
1 1 1 9   -15 1  o 59.358  1.8575  472.612   29.514    458.315   42.025    486.527   41.460    58.470  2.6834  60.245  2.5693  -1.775288      3.715093 
1 1 1 9   -15 2  o 171.228 3.4198  3939.05   156.836   3924.19   222.405   3953.76   221.200   170.904 4.8585  171.551 4.8139  -0.6477966     6.839533 
1 1 1 9   -15 3  o 287.326 5.4939  11146.57  422.703   10873.30  598.165   11419.16  597.420   283.778 7.8696  290.874 7.6681  -7.095642      10.98772 
1 1 1 9   -15 4  o 113.859 2.4881  1738.97   75.879    1737.49   107.587   1740.45   107.034   113.810 3.5293  113.908 3.5082  -0.9793854E-01 4.976289 
1 1 1 9   -15 5  o 68.685  1.8936  632.382   34.837    629.916   49.208    634.860   49.326    68.550  2.6800  68.819  2.6759  -0.2685776     3.787237 
1 1 1 9   -15 6  o 163.799 3.2791  3603.28   143.859   3563.04   203.313   3643.64   203.583   162.880 4.6602  164.717 4.6144  -1.836502      6.558230 
1 1 1 9   -15 7  o 206.084 3.9836  5712.44   219.852   5829.61   310.743   5595.01   311.092   208.210 5.5720  203.959 5.6945  4.251099       7.967124 
1 1 1 9   -15 8  o 138.282 2.7992  2566.73   103.665   2608.75   146.269   2524.32   146.942   139.423 3.9168  137.142 4.0002  2.280823       5.598500 
1 1 1 9   -15 9  o 170.884 3.3731  3923.43   154.369   3843.44   217.883   4004.04   218.741   169.130 4.8096  172.637 4.7305  -3.506790      6.746138 
1 1 1 9   -15 10 o 201.985 3.8836  5488.22   210.109   5470.68   296.836   5505.83   297.442   201.661 5.4955  202.309 5.4891  -0.6478424     7.767256 
1 1 1 9   -15 11 o 64.035  1.7818  549.717   30.560    551.609   43.127    547.808   43.312    64.146  2.5101  63.924  2.5296  0.2218552      3.563604 
1 1 1 9   -15 12 o 244.904 4.6674  8091.77   306.125   8250.42   433.120   7933.40   432.734   247.320 6.5382  242.488 6.6626  4.831284       9.334785 
1 1 1 9   -15 13 o 150.176 3.0622  3030.43   123.163   3084.77   174.659   2976.68   173.702   151.518 4.3037  148.833 4.3573  2.684464       6.124339 
1 1 1 9   -15 14 o 162.661 3.2401  3557.51   141.165   3583.75   200.310   3531.62   198.972   163.257 4.5808  162.065 4.5837  1.192123       6.480259 
1 1 1 9   -15 15 o 108.882 2.4182  1591.37   70.515    1596.34   100.645   1586.58   98.825    109.047 3.4458  108.717 3.3938  0.3297729      4.836448 
1 1 1 9   -15 16 o 212.400 4.1728  6088.90   237.314   5931.22   336.543   6244.84   334.689   209.639 5.9935  215.161 5.8075  -5.521454      8.345580 
1 1 1 9   -15 17 f 163.912 3.3224  3617.59   145.809   3531.24   207.227   3702.25   205.199   161.960 4.7769  165.863 4.6189  -3.903091      6.644772 
1 1 1 9   -15 18 f 185.860 3.6867  4657.00   183.511   4610.50   260.571   4702.77   258.488   184.928 5.2606  186.791 5.1665  -1.863281      7.373359 
1 1 1 9   -15 19 o 25.807  2.3262  95.782    14.660    61.800    21.427    125.686   20.101    21.103  3.9355  30.510  2.4811  -9.407169      4.652372 
1 1 1 9   -15 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -15 21 o 104.349 2.4444  1462.73   68.313    1492.72   97.418    1433.72   95.822    105.402 3.4506  103.297 3.4633  2.105598       4.888894 
1 1 1 9   -15 22 o 42.711  2.0473  245.416   23.252    258.240   33.956    234.094   31.907    43.762  2.9135  41.660  2.8770  2.101784       4.094596 
1 1 1 9   -15 23 o 154.845 3.2292  3231.73   133.929   3243.07   189.693   3220.45   189.117   155.117 4.5657  154.574 4.5678  0.5423126      6.458316 
1 1 1 9   -15 24 o 13.414  3.0843  22.581    13.257    11.889    19.111    32.500    18.406    11.505  4.4169  15.323  4.3061  -3.817826      6.168541 
1 1 1 9   -15 25 o 155.416 3.2483  3261.37   135.218   3272.71   191.068   3249.99   191.387   155.690 4.5818  155.143 4.6057  0.5478210      6.496544 
1 1 1 9   -15 26 f 87.609  2.3188  1033.01   54.412    1035.31   76.808    1030.70   77.094    87.708  3.2695  87.510  3.2891  0.1981506      4.637597 
1 1 1 9   -15 27 o 156.939 3.3124  3338.98   139.235   3318.71   196.329   3359.49   197.493   156.459 4.6848  157.418 4.6839  -0.9586792     6.624710 
1 1 1 9   -15 28 o 107.544 2.6069  1563.03   75.078    1518.65   105.507   1608.56   106.859   105.990 3.7164  109.098 3.6568  -3.108307      5.213840 
1 1 1 9   -15 29 o 14.930  2.5742  25.338    14.201    65.271    19.421    -20.5436  20.818    21.708  3.4561  8.1534  3.8159  13.55423       5.148386 
1 1 1 9   -15 30 f 60.898  2.1623  502.388   35.187    510.747   49.214    493.645   50.329    61.469  2.9891  60.327  3.1254  1.142078       4.324682 
1 1 1 9   -15 31 o 39.219  2.2352  211.212   23.055    242.196   32.557    180.045   32.653    42.199  2.8980  36.240  3.4038  5.958603       4.470325 
1 1 1 9   -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -15 33 o 45.310  2.0085  278.045   24.007    295.733   37.101    265.304   31.488    46.496  2.9950  44.124  2.6769  2.372066       4.016973 
1 1 1 9   -15 34 o 40.089  2.0783  220.387   21.844    221.659   33.860    219.480   28.589    40.107  3.1779  40.071  2.6791  0.3624725E-01  4.156538 
1 1 1 9   -15 35 o 41.943  2.0766  237.134   22.901    273.961   35.975    212.041   29.696    44.603  3.0292  39.284  2.8414  5.319637       4.153262 
1 1 1 9   -15 36 o 36.215  2.2956  189.161   20.959    153.976   32.920    213.146   27.180    33.012  3.7919  39.418  2.5887  -6.406120      4.591296 
1 1 1 9   -15 37 o 31.649  2.3447  142.590   18.887    132.337   30.157    149.207   24.226    30.477  3.7751  32.822  2.7819  -2.345375      4.689426 
1 1 1 9   -15 38 o 66.865  2.2638  626.777   40.032    617.078   60.843    634.182   53.160    66.149  3.4459  67.582  2.9367  -1.433548      4.527565 
1 1 1 9   -15 39 o 32.649  2.5863  160.186   20.699    131.175   33.646    177.851   26.255    29.650  4.3675  35.647  2.7715  -5.997313      5.172624 
1 1 1 9   -15 40 o 30.154  3.5945  144.007   26.979    146.561   34.201    139.800   43.895    31.225  4.1953  29.083  5.8378  2.142550       7.188977 
1 1 1 9   -15 41 f 13.445  3.2651  27.352    13.450    25.417    25.660    28.085    15.793    13.400  5.1243  13.491  4.0479  -0.9071445E-01 6.530251 
1 1 1 9   -15 42 o 26.657  3.0090  116.733   19.047    95.383    32.096    128.340   23.665    23.673  5.2036  29.642  3.0231  -5.968367      6.017982 
1 1 1 9   -15 43 o 31.829  2.7014  151.420   21.494    177.711   37.366    138.418   26.277    33.274  4.2926  30.384  3.2809  2.890270       5.402833 
1 1 1 9   -15 44 o 8.4545  2.6865  -0.8125   12.085    -21.2204  25.392    5.1643    13.741    8.4060  4.0158  8.5029  3.5696  -0.9694576E-01 5.372961 
1 1 1 9   -15 45 o 11.882  3.3077  21.877    15.330    12.816    28.288    25.645    18.241    11.348  4.9477  12.415  4.3914  -1.067240      6.615482 
1 1 1 9   -15 46 o 21.427  3.5700  94.709    20.288    66.993    35.675    107.956   24.664    17.003  6.1276  25.851  3.6648  -8.847900      7.139929 
1 1 1 9   -15 47 o 10.169  3.0993  13.515    14.576    4.4334    29.846    16.360    16.704    10.109  4.6758  10.229  4.0692  -0.1203690     6.198512 
1 1 1 9   -14 0  o 261.312 4.9668  9196.97   347.577   9405.73   492.306   8989.49   490.795   264.283 6.9547  258.341 7.0928  5.942444       9.933535 
1 1 1 9   -14 1  o 73.671  1.9937  727.420   39.339    733.231   55.980    721.750   55.295    73.961  2.8258  73.380  2.8133  0.5810013      3.987443 
1 1 1 9   -14 2  o 403.616 7.5021  22067.87  811.030   22103.61  1147.69   22032.22  1146.25   403.943 10.608  403.288 10.611  0.6545715      15.00411 
1 1 1 9   -14 3  o 233.788 4.4860  7349.56   280.883   7233.53   397.624   7465.14   396.834   231.938 6.4005  235.638 6.2874  -3.700546      8.972063 
1 1 1 9   -14 4  o 317.709 5.9337  13611.63  504.840   13297.49  714.036   13925.62  713.868   314.018 8.4894  321.400 8.2925  -7.381744      11.86737 
1 1 1 9   -14 5  o 107.764 2.3669  1556.96   68.319    1566.58   96.588    1547.33   96.646    108.098 3.3359  107.431 3.3587  0.6670837      4.733828 
1 1 1 9   -14 6  o 145.290 2.9365  2832.81   114.217   2935.60   161.408   2729.70   161.648   147.935 4.0735  142.644 4.2309  5.291321       5.873093 
1 1 1 9   -14 7  o 108.623 2.3690  1581.80   68.918    1547.76   97.038    1616.45   97.896    107.443 3.3719  109.803 3.3286  -2.359833      4.738082 
1 1 1 9   -14 8  o 136.275 2.8035  2491.06   102.328   2458.19   144.307   2524.30   145.122   135.370 3.9800  137.180 3.9496  -1.809784      5.607098 
1 1 1 9   -14 9  o 176.351 3.4420  4175.86   162.579   4127.85   229.557   4224.17   230.287   175.332 4.8881  177.370 4.8473  -2.037598      6.884027 
1 1 1 9   -14 10 o 165.438 3.3014  3675.00   146.277   3608.29   206.548   3742.11   207.187   163.928 4.7041  166.947 4.6333  -3.018677      6.602767 
1 1 1 9   -14 11 o 303.045 5.6625  12400.47  459.628   12411.40  650.014   12389.53  650.010   303.180 8.0045  302.911 8.0115  0.2693787      11.32504 
1 1 1 9   -14 12 o 57.374  1.7596  441.317   27.032    436.995   38.604    445.476   37.865    57.097  2.5242  57.650  2.4522  -0.5528450     3.519194 
1 1 1 9   -14 13 o 130.497 2.7282  2285.59   95.353    2325.15   135.550   2246.84   134.159   131.616 3.8451  129.378 3.8714  2.237488       5.456415 
1 1 1 9   -14 14 o 123.866 2.6442  2059.47   87.719    2066.81   124.998   2052.33   123.131   124.082 3.7610  123.650 3.7178  0.4320984      5.288399 
1 1 1 9   -14 15 o 167.953 3.3604  3794.15   151.134   3734.43   214.873   3852.62   212.615   166.635 4.8142  169.270 4.6895  -2.634598      6.720716 
1 1 1 9   -14 16 o 329.408 6.2490  14755.70  551.354   14702.86  780.869   14808.22  778.599   328.804 8.8665  330.013 8.8083  -1.208923      12.49806 
1 1 1 9   -14 17 o 48.784  1.7935  320.089   23.327    318.581   33.776    321.465   32.255    48.669  2.6004  48.900  2.4706  -0.2304001     3.586913 
1 1 1 9   -14 18 o 133.652 2.8543  2400.79   102.174   2427.94   145.459   2374.35   143.551   134.397 4.0407  132.906 4.0325  1.490662       5.708618 
1 1 1 9   -14 19 o 64.139  1.9421  551.992   33.342    550.209   47.990    553.656   46.357    64.036  2.7979  64.241  2.6941  -0.2046661     3.884140 
1 1 1 9   -14 20 o 30.148  1.9627  122.368   15.600    139.048   22.903    107.933   21.306    32.080  2.6903  28.216  2.8586  3.864477       3.925476 
1 1 1 9   -14 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -14 22 o 118.651 2.6868  1892.91   85.386    1912.42   120.951   1873.51   120.557   119.262 3.7863  118.039 3.8131  1.222794       5.373631 
1 1 1 9   -14 23 o 119.914 2.7008  1934.62   86.696    2012.66   122.696   1856.81   122.518   122.340 3.7443  117.489 3.8933  4.851662       5.401638 
1 1 1 9   -14 24 o 239.927 4.6927  7817.34   301.560   7882.36   426.105   7752.10   426.837   240.943 6.6026  238.911 6.6702  2.032593       9.385377 
1 1 1 9   -14 25 o 95.074  2.3836  1215.47   60.696    1217.96   85.466    1212.94   86.214    95.174  3.3526  94.973  3.3891  0.2004776      4.767220 
1 1 1 9   -14 26 o 70.395  2.1554  666.150   40.626    641.548   57.108    691.356   57.805    69.076  3.0866  71.714  3.0094  -2.638321      4.310862 
1 1 1 9   -14 27 o 85.346  2.3130  980.627   52.869    970.690   74.072    990.947   75.483    84.907  3.2570  85.785  3.2851  -0.8773804     4.626048 
1 1 1 9   -14 28 o 69.195  2.1838  644.779   40.464    634.063   56.481    656.080   57.999    68.606  3.0736  69.783  3.1030  -1.177086      4.367580 
1 1 1 9   -14 29 o 46.227  2.1586  290.427   26.481    311.145   36.956    268.565   37.963    47.961  2.8903  44.493  3.2070  3.468399       4.317232 
1 1 1 9   -14 30 o 41.403  2.2312  235.096   24.298    265.775   33.854    202.503   34.895    44.283  2.8696  38.524  3.4172  5.758831       4.462311 
1 1 1 9   -14 31 o 31.813  2.0796  138.190   17.255    137.425   26.727    138.737   22.595    31.685  3.1928  31.941  2.6654  -0.2564259     4.159152 
1 1 1 9   -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -14 33 o 60.752  2.0446  498.448   33.134    540.108   49.687    465.088   44.464    63.005  2.9443  58.498  2.8378  4.506538       4.089231 
1 1 1 9   -14 34 o 65.515  2.1123  584.564   36.885    600.171   55.249    572.014   49.544    66.248  3.1136  64.782  2.8553  1.466133       4.224562 
1 1 1 9   -14 35 o 28.564  2.4733  121.450   17.077    86.287    26.821    145.426   22.147    24.535  4.2343  32.592  2.5575  -8.056961      4.946691 
1 1 1 9   -14 36 o 11.040  2.8800  14.170    11.004    11.305    18.578    15.719    13.659    11.039  4.3225  11.040  3.8070  -0.5445480E-03 5.759999 
1 1 1 9   -14 37 o 35.237  2.3076  178.871   20.529    151.587   32.584    196.829   26.435    32.665  3.7949  37.810  2.6266  -5.144962      4.615230 
1 1 1 9   -14 38 o 23.594  2.6851  79.237    16.009    86.622    25.988    74.721    20.323    24.324  4.1369  22.864  3.4240  1.460945       5.370109 
1 1 1 9   -14 39 o 19.558  2.8268  51.127    14.021    86.460    24.010    32.844    17.271    24.319  3.8114  14.797  4.1758  9.521938       5.653647 
1 1 1 9   -14 40 o 21.797  3.0915  81.216    16.957    43.612    27.410    104.529   21.582    16.534  5.3899  27.060  3.0297  -10.52582      6.183050 
1 1 1 9   -14 41 o 21.898  3.0907  73.801    16.724    78.220    28.672    71.522    20.590    21.933  4.9928  21.863  3.6444  0.6991005E-01  6.181369 
1 1 1 9   -14 42 o 29.587  2.6991  122.101   19.833    190.780   33.767    85.931    24.505    35.669  3.5828  23.505  4.0378  12.16391       5.398173 
1 1 1 9   -14 43 o 10.229  2.8960  10.345    13.315    -17.8639  25.316    21.132    15.655    8.7085  4.1165  11.750  4.0745  -3.041408      5.791995 
1 1 1 9   -14 44 o 13.720  3.4801  31.769    15.647    30.801    28.692    32.178    18.667    13.603  5.3578  13.837  4.4426  -0.2334604     6.960119 
1 1 1 9   -14 45 o 17.352  3.5455  53.978    16.618    58.157    30.218    52.167    19.898    17.120  5.6631  17.585  4.2677  -0.4650002     7.091094 
1 1 1 9   -14 46 o 14.025  3.5778  37.680    16.880    34.103    31.489    39.123    19.995    13.397  5.4933  14.652  4.5854  -1.254947      7.155534 
1 1 1 9   -14 47 o 12.358  3.5053  21.046    15.868    56.051    31.656    9.2984    18.339    15.314  5.7283  9.4032  4.0415  5.910654       7.010540 
1 1 1 9   -13 0  o 57.362  1.8412  440.932   28.286    438.961   40.233    442.860   39.775    57.235  2.6244  57.489  2.5831  -0.2541237     3.682345 
1 1 1 9   -13 1  o 234.612 4.5195  7394.66   284.000   7355.85   402.233   7433.23   401.043   233.995 6.4177  235.229 6.3652  -1.233566      9.038959 
1 1 1 9   -13 2  o 317.539 5.9586  13572.99  506.792   13612.31  717.386   13533.81  716.039   317.999 8.4225  317.079 8.4310  0.9198914      11.91721 
1 1 1 9   -13 3  o 272.981 5.1651  10017.41  377.639   9914.00   534.422   10120.54  533.702   271.568 7.3471  274.395 7.2616  -2.826111      10.33011 
1 1 1 9   -13 4  o 96.021  2.2103  1235.67   56.842    1219.61   80.406    1251.72   80.368    95.397  3.1468  96.645  3.1046  -1.248718      4.420523 
1 1 1 9   -13 5  f 304.977 5.7060  12512.22  466.099   12584.69  659.172   12439.75  659.155   305.864 8.0460  304.090 8.0928  1.774200       11.41191 
1 1 1 9   -13 6  o 242.225 4.6171  7881.92   299.520   8018.29   423.390   7745.30   423.780   244.330 6.4696  240.121 6.5890  4.208267       9.234207 
1 1 1 9   -13 7  o 172.930 3.3691  4011.56   156.052   3980.31   220.317   4043.02   221.066   172.254 4.7752  173.607 4.7541  -1.352966      6.738205 
1 1 1 9   -13 8  o 166.207 3.2424  3706.07   144.292   3581.51   203.590   3831.79   204.534   163.396 4.6518  169.017 4.5180  -5.620621      6.484740 
1 1 1 9   -13 9  o 145.799 2.9260  2851.31   114.247   2904.90   161.357   2797.43   161.782   147.176 4.0932  144.423 4.1822  2.752563       5.851930 
1 1 1 9   -13 10 o 226.902 4.3106  6918.92   261.930   7072.35   370.539   6765.69   370.310   229.425 6.0298  224.380 6.1616  5.045425       8.621138 
1 1 1 9   -13 11 o 130.134 2.7233  2271.32   94.922    2284.65   134.595   2258.13   133.887   130.514 3.8502  129.755 3.8524  0.7596588      5.446527 
1 1 1 9   -13 12 f 291.997 5.5326  11497.88  432.697   11416.02  612.524   11579.42  611.329   290.951 7.8599  293.044 7.7885  -2.093140      11.06516 
1 1 1 9   -13 13 o 129.057 2.7207  2234.44   94.040    2269.37   134.003   2200.55   132.005   130.051 3.8469  128.064 3.8483  1.987183       5.441358 
1 1 1 9   -13 14 o 194.129 3.7478  5067.04   194.861   5160.18   276.827   4975.56   274.340   195.901 5.2757  192.358 5.3246  3.543610       7.495679 
1 1 1 9   -13 15 o 103.814 2.3407  1445.33   65.070    1471.43   93.264    1420.57   90.831    104.726 3.3248  102.902 3.2955  1.823952       4.681321 
1 1 1 9   -13 16 f 165.971 3.3170  3703.22   147.419   3818.20   209.641   3590.74   207.341   168.525 4.6443  163.416 4.7370  5.109299       6.633911 
1 1 1 9   -13 17 o 39.243  1.7861  206.359   18.602    233.167   27.281    183.064   25.431    41.629  2.4575  36.857  2.5926  4.771824       3.572246 
1 1 1 9   -13 18 o 110.310 2.4961  1634.00   73.744    1626.81   104.896   1641.02   103.695   110.068 3.5580  110.552 3.5019  -0.4842072     4.992284 
1 1 1 9   -13 19 o 52.566  1.8683  371.006   26.253    375.447   37.705    366.828   36.574    52.837  2.6729  52.296  2.6111  0.5415154      3.736608 
1 1 1 9   -13 20 o 76.928  2.0965  794.185   43.195    799.556   61.455    788.940   60.727    77.184  2.9726  76.671  2.9570  0.5132675      4.192917 
1 1 1 9   -13 21 o 97.891  2.8300  1280.57   70.856    1261.89   87.698    1315.69   120.249   96.927  3.3780  98.855  4.5414  -1.928207      5.659973 
1 1 1 9   -13 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -13 23 o 104.486 2.5065  1467.36   70.141    1477.07   98.705    1457.46   99.689    104.838 3.5151  104.134 3.5741  0.7042770      5.012976 
1 1 1 9   -13 24 f 180.549 3.6754  4401.92   177.708   4486.71   250.759   4316.38   251.879   182.313 5.1351  178.785 5.2599  3.528641       7.350879 
1 1 1 9   -13 25 o 49.662  2.0487  332.224   27.125    321.096   37.990    343.798   38.743    48.809  2.9193  50.516  2.8753  -1.706524      4.097490 
1 1 1 9   -13 26 o 39.543  2.1195  211.424   22.266    214.199   31.056    208.488   31.940    39.819  2.9324  39.267  3.0609  0.5523987      4.238927 
1 1 1 9   -13 27 o 44.283  2.1228  265.706   24.949    280.456   34.651    249.829   35.952    45.587  2.8522  42.978  3.1449  2.608757       4.245597 
1 1 1 9   -13 28 o 158.393 3.3614  3403.38   142.600   3367.99   200.262   3439.77   203.103   157.562 4.7453  159.225 4.7623  -1.662796      6.722872 
1 1 1 9   -13 29 o 91.329  2.3353  1126.78   57.020    1107.49   82.803    1144.18   78.634    90.561  3.4136  92.097  3.1877  -1.536369      4.670579 
1 1 1 9   -13 30 o 32.160  2.0489  138.227   17.303    161.567   26.644    121.204   22.754    34.483  2.9120  29.837  2.8831  4.645668       4.097827 
1 1 1 9   -13 31 o 22.304  2.3821  67.943    13.563    74.220    21.546    63.823    17.456    23.111  3.5976  21.496  3.1232  1.615774       4.764117 
1 1 1 9   -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -13 33 o 21.125  2.6885  70.864    13.696    37.446    21.820    92.588    17.593    16.226  4.7301  26.024  2.5569  -9.797609      5.376935 
1 1 1 9   -13 34 o 40.615  2.0215  223.265   21.611    242.069   33.614    210.017   28.215    42.017  3.0066  39.212  2.7029  2.805008       4.042956 
1 1 1 9   -13 35 o 35.082  2.1174  167.723   19.522    182.472   30.162    157.089   25.611    36.360  3.1275  33.804  2.8553  2.556168       4.234838 
1 1 1 9   -13 36 o 21.748  2.6784  67.208    14.514    68.676    24.042    66.367    18.206    21.764  4.2768  21.732  3.2256  0.3134727E-01  5.356765 
1 1 1 9   -13 37 o 19.825  2.7673  53.141    13.964    82.470    22.843    35.642    17.645    24.053  3.6613  15.598  4.1506  8.454803       5.534660 
1 1 1 9   -13 38 o 5.7589  1.9764  -20.2332  9.2353    -40.2059  17.316    -12.2936  10.918    5.8266  2.8925  5.6912  2.6942  0.1353683      3.952880 
1 1 1 9   -13 39 o 13.783  3.1015  28.717    13.206    16.702    22.785    34.796    16.206    12.291  4.7940  15.275  3.9363  -2.984627      6.203005 
1 1 1 9   -13 40 o 21.404  3.0650  66.465    16.257    82.313    28.235    58.606    19.884    23.019  4.7374  19.788  3.8901  3.230417       6.129948 
1 1 1 9   -13 41 o 28.915  2.7808  120.713   20.014    143.206   34.819    109.614   24.459    30.491  4.3899  27.338  3.4147  3.152721       5.561605 
1 1 1 9   -13 42 o 26.522  2.9634  108.985   19.200    111.672   32.950    107.604   23.625    26.109  4.8914  26.936  3.3467  -0.8262386     5.926768 
1 1 1 9   -13 43 o 25.475  3.3453  119.333   20.118    74.074    34.312    143.043   24.834    19.737  5.9765  31.213  3.0077  -11.47622      6.690691 
1 1 1 9   -13 44 o 21.916  3.3956  83.458    18.538    77.955    32.053    86.223    22.725    20.347  5.6699  23.484  3.7380  -3.137135      6.791188 
1 1 1 9   -13 45 o 16.234  3.6661  47.882    17.174    51.885    31.585    46.202    20.464    16.137  5.7710  16.331  4.5231  -0.1942482     7.332273 
1 1 1 9   -13 46 o 11.588  3.2855  21.049    14.973    12.511    30.088    23.859    17.262    11.260  4.9981  11.916  4.2658  -0.6560860     6.571065 
1 1 1 9   -13 47 o 12.203  3.8131  25.410    24.020    15.322    31.012    40.535    37.973    11.092  4.9880  13.313  5.7689  -2.221083      7.626277 
1 1 1 9   -12 0  o 197.779 3.8699  5248.44   204.974   5150.10   290.299   5346.21   289.457   195.928 5.5317  199.631 5.4134  -3.702942      7.739795 
1 1 1 9   -12 1  o 240.011 4.5317  7731.71   291.322   7810.32   412.715   7653.66   411.271   241.229 6.3875  238.793 6.4301  2.435120       9.063466 
1 1 1 9   -12 2  o 120.138 2.5912  1935.04   83.346    1879.62   118.254   1989.74   117.487   118.427 3.7280  121.850 3.5998  -3.422722      5.182335 
1 1 1 9   -12 3  o 158.962 3.1711  3387.64   135.015   3367.91   191.238   3407.25   190.644   158.500 4.5046  159.424 4.4646  -0.9245911     6.342238 
1 1 1 9   -12 4  o 399.609 7.4712  21508.30  799.525   21021.49  1130.45   21995.54  1130.95   395.059 10.683  404.159 10.447  -9.099426      14.94239 
1 1 1 9   -12 5  o 64.016  1.8214  549.936   31.071    480.994   43.535    621.506   44.358    59.918  2.7127  68.113  2.4314  -8.194386      3.642813 
1 1 1 9   -12 6  f 275.477 5.1609  10191.69  380.788   10291.76  538.195   10091.37  538.838   276.835 7.2582  274.119 7.3389  2.716644       10.32186 
1 1 1 9   -12 7  o 195.729 3.7610  5138.56   197.160   5062.28   278.398   5215.32   279.256   194.270 5.3502  197.189 5.2873  -2.918243      7.521959 
1 1 1 9   -12 8  o 135.594 2.7742  2464.65   100.730   2396.08   142.118   2533.86   142.792   133.698 3.9686  137.491 3.8774  -3.793259      5.548333 
1 1 1 9   -12 9  o 423.108 7.8266  24160.24  886.942   24418.51  1254.46   23902.09  1254.19   425.387 11.010  420.830 11.127  4.556091       15.65319 
1 1 1 9   -12 10 o 196.027 3.8001  5156.59   199.527   5149.87   282.495   5163.28   281.853   195.898 5.3838  196.155 5.3646  -0.2562561     7.600267 
1 1 1 9   -12 11 o 142.355 2.8993  2718.87   110.492   2634.21   156.887   2802.19   155.637   140.152 4.1793  144.559 4.0196  -4.406982      5.798564 
1 1 1 9   -12 12 o 79.794  2.0174  855.774   42.992    799.973   61.716    908.379   59.922    77.257  2.9825  82.331  2.7173  -5.073944      4.034716 
1 1 1 9   -12 13 o 161.833 3.2285  3514.79   139.852   3690.00   199.141   3344.29   196.449   165.818 4.4837  157.847 4.6465  7.970825       6.457064 
1 1 1 9   -12 14 o 76.640  2.0088  787.817   41.194    777.099   59.387    797.757   57.189    76.135  2.9122  77.144  2.7677  -1.009148      4.017579 
1 1 1 9   -12 15 o 141.950 2.9504  2705.28   112.164   2692.63   159.595   2717.64   157.671   141.619 4.2074  142.281 4.1373  -0.6620941     5.900758 
1 1 1 9   -12 16 o 127.067 2.7109  2167.16   92.260    2195.68   131.241   2139.29   129.724   127.894 3.8312  126.240 3.8365  1.653320       5.421854 
1 1 1 9   -12 17 o 165.627 3.3352  3688.51   147.957   3690.12   209.749   3686.93   208.742   165.661 4.7270  165.593 4.7063  0.6861877E-01  6.670382 
1 1 1 9   -12 18 o 54.246  1.8656  395.563   27.026    376.951   38.437    413.763   38.009    52.945  2.7196  55.548  2.5546  -2.602558      3.731265 
1 1 1 9   -12 19 o 13.273  2.6341  24.157    9.8295    28.784    14.079    19.757    13.730    14.365  3.6512  12.181  3.7976  2.183487       5.268149 
1 1 1 9   -12 20 o 35.166  1.9309  167.793   17.891    144.127   25.326    191.367   25.277    32.642  2.9278  37.690  2.5184  -5.047131      3.861893 
1 1 1 9   -12 21 o 72.283  2.0764  701.378   40.192    712.718   56.603    689.846   57.082    72.875  2.8998  71.692  2.9726  1.182686       4.152743 
1 1 1 9   -12 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -12 23 o 24.963  2.5640  85.361    16.609    78.479    23.042    92.803    23.963    23.881  3.7237  26.045  3.5256  -2.163660      5.127921 
1 1 1 9   -12 24 o 8.0419  2.5395  -8.4650   11.497    -0.3852   15.494    -18.3630  17.149    8.7721  3.7410  7.3116  3.4352  1.460528       5.078956 
1 1 1 9   -12 25 o 72.399  2.1763  704.430   42.176    715.902   58.922    692.376   60.398    73.008  3.0131  71.790  3.1410  1.218536       4.352588 
1 1 1 9   -12 26 o 44.346  2.1316  265.281   25.151    261.155   34.826    269.779   36.363    43.989  2.9732  44.703  3.0552  -0.7143555     4.263127 
1 1 1 9   -12 27 o 105.888 2.4608  1507.93   69.753    1558.98   100.720   1460.87   96.694    107.606 3.4945  104.170 3.4655  3.436371       4.921534 
1 1 1 9   -12 28 o 112.788 2.6009  1716.57   78.504    1706.70   113.254   1725.71   108.917   112.458 3.7599  113.119 3.5948  -0.6614761     5.201833 
1 1 1 9   -12 29 o 50.505  2.0286  347.800   27.013    315.024   40.278    374.593   36.416    48.241  3.1342  52.769  2.5765  -4.528450      4.057249 
1 1 1 9   -12 30 o 69.560  2.0831  650.714   38.731    683.891   57.061    622.371   52.741    71.191  2.9925  67.929  2.8987  3.261681       4.166232 
1 1 1 9   -12 31 o 7.9988  2.4050  0.1923    9.0149    -7.4504   15.176    4.3600    11.206    7.7377  3.4835  8.2599  3.3170  -0.5222015     4.810063 
1 1 1 9   -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -12 33 o 64.465  2.0926  563.094   35.972    582.274   53.821    547.609   48.361    65.418  3.0716  63.512  2.8428  1.905514       4.185275 
1 1 1 9   -12 34 o 29.605  2.2392  120.984   17.021    121.253   27.267    120.812   21.788    29.529  3.5167  29.681  2.7728  -0.1521473     4.478338 
1 1 1 9   -12 35 o 17.803  2.8710  46.715    13.162    40.428    21.211    50.651    16.784    16.692  4.5977  18.915  3.4396  -2.222479      5.741955 
1 1 1 9   -12 36 o 33.236  2.1608  147.840   18.660    180.343   30.178    127.721   23.743    36.084  3.1541  30.389  2.9543  5.694389       4.321614 
1 1 1 9   -12 37 o 41.525  2.1543  237.953   23.338    244.309   36.928    233.727   30.114    41.856  3.3211  41.194  2.7450  0.6624146      4.308681 
1 1 1 9   -12 38 o 22.989  2.7670  75.673    15.900    80.528    26.327    72.884    19.950    23.367  4.3671  22.611  3.3992  0.7554874      5.534089 
1 1 1 9   -12 39 o 10.244  2.9348  2.8979    12.089    21.110    21.833    -5.1543   14.517    12.855  4.7674  7.6334  3.4242  5.221936       5.869655 
1 1 1 9   -12 40 o 16.088  3.2512  32.536    14.300    64.770    26.535    19.342    16.977    20.263  4.9349  11.912  4.2340  8.351072       6.502319 
1 1 1 9   -12 41 o 18.164  3.2622  46.737    15.483    76.183    27.231    32.670    18.822    21.854  4.7848  14.474  4.4356  7.379906       6.524440 
1 1 1 9   -12 42 o 13.608  3.2828  29.400    14.065    24.386    25.277    31.648    16.928    13.079  5.0638  14.138  4.1792  -1.059320      6.565629 
1 1 1 9   -12 43 o 10.833  3.1120  6.5646    13.090    30.361    25.212    -2.2169   15.316    13.715  5.1157  7.9503  3.5452  5.765063       6.224073 
1 1 1 9   -12 44 o 15.867  3.4740  34.352    15.456    74.097    30.004    19.996    18.032    20.134  5.4364  11.601  4.3266  8.532371       6.947957 
1 1 1 9   -12 45 f 25.051  3.2022  94.984    19.548    143.445   35.725    74.273    23.355    28.936  4.7759  21.165  4.2670  7.770977       6.404401 
1 1 1 9   -12 46 o 8.4668  2.8266  -22.8225  13.442    18.003    27.980    -35.0718  15.326    11.633  4.9957  5.3009  2.6460  6.331653       5.653195 
1 1 1 9   -12 47 f 14.482  5.7911  50.588    34.002    50.588    34.002    0.0000    0.0000    14.482  5.7911  ?       ?       ?              ?        
1 1 1 9   -11 0  o 415.500 7.7111  23239.83  858.170   23135.11  1214.07   23344.39  1213.20   414.560 10.934  416.442 10.877  -1.882019      15.42221 
1 1 1 9   -11 1  o 228.905 4.4162  7033.67   270.499   6682.53   382.862   7383.63   382.225   223.187 6.4045  234.623 6.0822  -11.43559      8.832350 
1 1 1 9   -11 2  o 488.273 9.0644  32145.83  1185.35   31621.10  1676.53   32670.34  1676.15   484.261 12.925  492.285 12.712  -8.023499      18.12885 
1 1 1 9   -11 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -11 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -11 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -11 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -11 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -11 8  o 278.943 5.2378  10448.65  391.247   10710.30  553.376   10187.13  553.236   282.444 7.3148  275.442 7.4988  7.001984       10.47558 
1 1 1 9   -11 9  o 339.588 6.2985  15505.34  572.901   15513.44  810.521   15497.26  809.887   339.677 8.9086  339.500 8.9063  0.1768494      12.59702 
1 1 1 9   -11 10 o 65.756  1.7957  579.295   31.611    578.632   45.405    579.919   44.036    65.719  2.5794  65.793  2.4988  -0.7379913E-01 3.591334 
1 1 1 9   -11 11 o 172.249 3.4215  3979.92   157.831   3929.33   224.241   4029.58   222.186   171.161 4.8912  173.337 4.7856  -2.175232      6.842981 
1 1 1 9   -11 12 o 378.754 7.0155  19348.96  711.693   19558.55  1007.92   19140.56  1005.06   380.811 9.8816  376.698 9.9612  4.112579       14.03106 
1 1 1 9   -11 13 o 356.224 6.6552  17130.17  634.595   16441.79  898.051   17816.72  896.857   349.017 9.6065  363.431 9.2132  -14.41370      13.31048 
1 1 1 9   -11 14 o 317.854 5.9724  13628.49  508.423   13870.32  720.076   13388.09  717.965   320.683 8.3833  315.025 8.5088  5.657501       11.94484 
1 1 1 9   -11 15 o 20.616  2.0710  58.701    10.987    51.241    15.947    65.442    15.159    19.293  3.1980  21.939  2.6322  -2.646048      4.141905 
1 1 1 9   -11 16 o 61.312  1.8781  503.868   30.841    512.622   43.935    495.364   43.303    61.837  2.6526  60.787  2.6596  1.049961       3.756273 
1 1 1 9   -11 17 o 217.654 4.2381  6381.75   247.073   6380.17   349.449   6383.34   349.378   217.627 5.9949  217.681 5.9922  -0.5470276E-01 8.476154 
1 1 1 9   -11 18 o 265.775 5.1042  9551.81   363.326   9676.11   513.658   9427.36   513.984   267.523 7.1684  264.027 7.2680  3.495850       10.20831 
1 1 1 9   -11 19 o 76.124  2.0894  777.327   42.573    738.170   59.727    817.766   60.698    74.173  3.0063  78.075  2.9025  -3.901527      4.178814 
1 1 1 9   -11 20 o 56.775  1.9199  432.311   29.193    424.546   40.955    440.333   41.624    56.257  2.7179  57.294  2.7123  -1.036613      3.839798 
1 1 1 9   -11 21 o 132.339 2.8699  2355.34   101.703   2399.26   143.177   2310.61   144.491   133.592 4.0013  131.086 4.1152  2.505661       5.739841 
1 1 1 9   -11 22 o 92.149  4.5849  1143.28   113.163   1143.28   113.163   0.0000    0.0000    92.149  4.5849  ?       ?       ?              ?        
1 1 1 9   -11 23 o 100.810 3.0089  1361.11   77.001    1387.95   132.529   1347.43   94.608    101.481 4.8757  100.139 3.5272  1.341949       6.017782 
1 1 1 9   -11 24 o 228.123 4.4951  7048.07   274.655   7003.66   387.186   7093.05   389.666   227.400 6.3568  228.846 6.3571  -1.446442      8.990125 
1 1 1 9   -11 25 o 110.629 2.5320  1643.88   74.990    1709.01   107.985   1583.21   104.220   112.744 3.5758  108.514 3.5857  4.230186       5.063987 
1 1 1 9   -11 26 o 91.799  2.3111  1132.85   56.766    1131.47   82.150    1134.12   78.531    91.738  3.3433  91.861  3.1917  -0.1234512     4.622175 
1 1 1 9   -11 27 o 171.621 3.4797  3983.55   159.933   4020.94   228.552   3947.68   223.879   172.400 4.9495  170.842 4.8925  1.558105       6.959424 
1 1 1 9   -11 28 o 58.602  1.9856  458.522   30.978    517.896   46.188    409.978   41.764    62.062  2.7785  55.142  2.8373  6.920193       3.971242 
1 1 1 9   -11 29 f 30.165  2.5575  136.464   18.126    80.580    27.708    178.270   23.965    24.001  4.4748  36.329  2.4776  -12.32824      5.114909 
1 1 1 9   -11 30 o 61.509  2.0615  513.483   33.628    486.420   49.995    535.843   45.444    59.949  3.1244  63.068  2.6902  -3.119568      4.122952 
1 1 1 9   -11 31 o 58.644  2.0757  470.210   32.119    426.794   47.922    505.621   43.279    56.065  3.2045  61.223  2.6392  -5.158333      4.151397 
1 1 1 9   -11 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -11 33 o 80.801  2.2322  884.422   48.153    941.628   71.706    837.437   64.985    83.143  3.2199  78.460  3.0923  4.683380       4.464303 
1 1 1 9   -11 34 o 11.973  2.8176  18.945    11.221    5.5029    18.667    26.550    14.041    10.277  4.2235  13.669  3.7308  -3.391961      5.635276 
1 1 1 9   -11 35 o 38.934  2.1231  207.198   21.613    214.891   33.973    201.968   28.013    39.457  3.2432  38.410  2.7409  1.047680       4.246291 
1 1 1 9   -11 36 o 41.230  2.1292  233.668   22.935    237.904   36.069    230.793   29.717    41.438  3.2765  41.023  2.7199  0.4141121      4.258315 
1 1 1 9   -11 37 o 27.978  2.6706  118.852   17.699    87.636    29.197    136.987   22.254    24.429  4.6315  31.526  2.6603  -7.096453      5.341167 
1 1 1 9   -11 38 o 10.442  2.9346  9.5151    11.806    10.346    20.110    9.0779    14.584    11.077  4.4451  9.8072  3.8326  1.269551       5.869214 
1 1 1 9   -11 39 o 18.043  3.0522  52.852    14.599    33.398    24.618    63.405    18.131    15.084  5.1132  21.002  3.3346  -5.917844      6.104420 
1 1 1 9   -11 40 o 18.472  3.4997  33.505    21.236    -6.6207   25.974    114.420   36.884    10.100  4.5511  26.845  5.3177  -16.74499      6.999343 
1 1 1 9   -11 41 o 24.175  3.2201  101.654   18.581    61.953    31.451    122.942   23.030    19.064  5.7106  29.285  2.9774  -10.22128      6.440135 
1 1 1 9   -11 42 o 9.9553  2.8843  7.5711    13.082    -12.6807  23.156    17.066    15.855    8.7930  4.0850  11.117  4.0730  -2.324465      5.768537 
1 1 1 9   -11 43 o 22.356  3.3890  88.735    18.796    67.706    32.691    99.121    22.973    19.062  5.8463  25.650  3.4296  -6.588247      6.778035 
1 1 1 9   -11 44 o 11.283  3.2856  13.418    14.549    22.790    27.793    9.8796    17.076    12.694  5.1777  9.8722  4.0463  2.821418       6.571189 
1 1 1 9   -11 45 o 12.633  3.4895  23.932    15.718    30.889    30.167    21.340    18.415    13.527  5.4386  11.739  4.3734  1.787726       6.978922 
1 1 1 9   -11 46 o 8.6633  2.7871  -1.7386   13.904    -29.1151  29.078    6.3767    15.832    8.4091  4.0859  8.9175  3.7918  -0.5083857     5.574257 
1 1 1 9   -11 47 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -10 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -10 1  o 379.118 9.9438  19402.47  1007.90   20832.42  1429.63   17989.39  1421.17   393.109 13.578  365.128 14.532  27.98145       19.88759 
1 1 1 9   -10 2  o 508.423 9.3588  34833.97  1274.49   34781.21  1802.85   34886.67  1801.95   508.035 13.249  508.811 13.222  -0.7759705     18.71765 
1 1 1 9   -10 3  f 234.195 4.4837  7357.92   281.138   7107.54   397.508   7608.51   397.670   230.202 6.4469  238.188 6.2332  -7.986023      8.967451 
1 1 1 9   -10 4  o 228.330 4.3623  6993.01   266.684   6759.45   376.717   7227.65   377.580   224.502 6.2648  232.157 6.0721  -7.654877      8.724532 
1 1 1 9   -10 5  o 635.915 11.793  54718.49  2007.94   56476.60  2840.58   52962.67  2838.74   646.228 16.411  625.602 16.941  20.62604       23.58633 
1 1 1 9   -10 6  o 320.267 5.9370  13773.10  509.275   13628.12  719.747   13918.47  720.702   318.576 8.4349  321.959 8.3573  -3.383545      11.87397 
1 1 1 9   -10 7  o 117.073 2.5252  1836.50   79.182    1842.82   111.799   1830.14   112.164   117.275 3.5591  116.870 3.5831  0.4045868      5.050342 
1 1 1 9   -10 8  o 89.788  2.9063  1080.23   69.847    1085.14   100.773   1075.70   96.898    89.983  4.1812  89.593  4.0379  0.3901596      5.812617 
1 1 1 9   -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -10 11 o 202.069 3.9377  5478.47   213.071   5374.87   302.517   5580.46   300.153   200.168 5.6424  203.969 5.4940  -3.801117      7.875332 
1 1 1 9   -10 12 o 189.453 3.7003  4816.16   187.714   4706.33   266.439   4924.40   264.506   187.303 5.3109  191.602 5.1540  -4.299759      7.400611 
1 1 1 9   -10 13 o 240.164 4.6097  7748.44   296.517   7679.88   419.975   7816.58   418.703   239.100 6.5577  241.228 6.4802  -2.127350      9.219398 
1 1 1 9   -10 14 o 77.378  2.0416  802.370   42.310    806.770   60.234    798.084   59.446    77.587  2.8984  77.168  2.8760  0.4183884      4.083184 
1 1 1 9   -10 15 o 263.319 5.0090  9335.84   353.231   9154.39   499.494   9517.36   499.594   260.746 7.1520  265.892 7.0149  -5.146057      10.01798 
1 1 1 9   -10 16 o 152.948 3.1434  3141.25   128.752   3208.42   181.975   3073.93   182.190   154.590 4.3948  151.306 4.4955  3.283340       6.286821 
1 1 1 9   -10 17 o 217.416 4.2328  6365.60   246.446   6500.78   348.271   6230.03   348.784   219.741 5.9172  215.090 6.0541  4.651154       8.465522 
1 1 1 9   -10 18 o 150.771 3.1277  3055.45   126.274   3124.48   178.142   2985.74   179.017   152.490 4.3615  149.052 4.4840  3.438126       6.255325 
1 1 1 9   -10 19 o 80.799  2.1455  875.865   46.427    874.699   65.159    877.067   66.168    80.745  3.0128  80.852  3.0554  -0.1072083     4.290957 
1 1 1 9   -10 20 o 162.438 3.3393  3551.04   145.272   3593.09   204.682   3508.35   206.219   163.415 4.6763  161.461 4.7684  1.953522       6.678689 
1 1 1 9   -10 21 o 85.710  2.2355  985.797   51.311    961.616   71.881    1010.92   73.267    84.638  3.1707  86.782  3.1520  -2.143860      4.470901 
1 1 1 9   -10 22 o 83.271  2.2204  930.538   49.515    909.621   69.248    952.420   70.828    82.314  3.1408  84.228  3.1395  -1.914307      4.440887 
1 1 1 9   -10 23 o 114.628 5.0361  1771.33   154.623   0.0000    0.0000    1771.33   154.623   ?       ?       114.628 5.0361  ?              ?        
1 1 1 9   -10 24 o 148.309 3.1711  2970.52   125.568   2733.52   179.151   3199.39   176.051   142.438 4.6957  154.180 4.2630  -11.74174      6.342191 
1 1 1 9   -10 25 o 62.753  1.9936  527.763   33.432    540.681   49.226    516.704   45.547    63.460  2.8960  62.045  2.7407  1.415016       3.987292 
1 1 1 9   -10 26 o 39.645  2.0205  217.523   20.733    178.536   31.097    248.720   27.818    36.306  3.2317  42.984  2.4261  -6.678425      4.040969 
1 1 1 9   -10 27 o 95.440  2.3286  1221.36   58.971    1465.90   86.170    1005.94   80.877    104.423 3.0808  86.456  3.4925  17.96724       4.657196 
1 1 1 9   -10 28 o 77.168  2.1586  800.986   44.497    804.645   65.426    797.836   60.697    77.319  3.1592  77.017  2.9424  0.3023911      4.317157 
1 1 1 9   -10 29 o 51.775  2.0685  364.060   28.308    345.140   42.319    379.381   38.083    50.513  3.1434  53.036  2.6896  -2.523319      4.137022 
1 1 1 9   -10 30 o 49.705  2.0699  339.121   26.973    296.309   40.389    373.587   36.239    46.732  3.2469  52.678  2.5683  -5.946266      4.139894 
1 1 1 9   -10 31 o 11.005  2.6104  14.449    10.137    -1.2975   16.331    24.319    12.929    8.8362  3.8060  13.173  3.5736  -4.337255      5.220725 
1 1 1 9   -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -10 33 o 35.480  2.1500  173.529   19.762    166.178   31.042    178.538   25.625    34.750  3.3778  36.210  2.6608  -1.460052      4.299919 
1 1 1 9   -10 34 o 21.270  2.6730  64.781    14.185    60.563    23.028    67.361    18.007    20.535  4.3234  22.006  3.1444  -1.470791      5.345915 
1 1 1 9   -10 35 o 44.264  2.0421  262.865   23.763    303.546   37.494    235.552   30.722    47.042  2.9913  41.486  2.7808  5.555447       4.084201 
1 1 1 9   -10 36 o 33.564  2.1835  151.204   19.074    182.432   30.645    131.458   24.369    36.295  3.1845  30.833  2.9883  5.462065       4.367026 
1 1 1 9   -10 37 o 24.980  2.4488  84.526    15.539    105.083   25.766    72.775    19.481    27.247  3.6202  22.714  3.2985  4.532896       4.897580 
1 1 1 9   -10 38 o 36.453  2.2560  182.806   21.333    201.882   34.519    171.018   27.135    37.844  3.4431  35.061  2.9159  2.782822       4.511921 
1 1 1 9   -10 39 o 10.178  2.9078  8.8519    11.804    1.7764    21.703    11.824    14.066    10.194  4.3893  10.162  3.8151  0.3189564E-01  5.815563 
1 1 1 9   -10 40 o 14.638  6.3423  15.102    45.893    15.102    45.893    0.0000    0.0000    14.638  6.3423  ?       ?       ?              ?        
1 1 1 9   -10 41 f 13.829  3.3561  28.311    14.163    30.406    26.100    27.436    16.862    14.251  5.2250  13.407  4.2133  0.8441048      6.712125 
1 1 1 9   -10 42 o 10.815  2.8988  -7.9568   12.698    42.140    24.277    -26.8251  14.899    15.874  5.0632  5.7564  2.8242  10.11783       5.797577 
1 1 1 9   -10 43 o 17.944  2.8402  32.460    15.420    115.078   28.928    -0.3334   18.225    27.051  4.1229  8.8364  3.9076  18.21464       5.680452 
1 1 1 9   -10 44 f 10.731  3.1906  11.196    14.370    10.892    27.520    11.309    16.850    11.393  4.9240  10.069  4.0588  1.324593       6.381186 
1 1 1 9   -10 45 o 13.726  3.6810  29.517    17.200    45.592    32.107    23.047    20.369    15.337  5.7627  12.116  4.5817  3.221015       7.362070 
1 1 1 9   -10 46 f 8.5934  2.8010  -2.6721   13.668    -17.2698  28.462    1.7036    15.583    8.9378  4.2648  8.2490  3.6323  0.6887560      5.601982 
1 1 1 9   -9  0  o 85.841  2.9841  987.124   68.611    0.0000    0.0000    987.124   68.611    ?       ?       85.841  2.9841  ?              ?        
1 1 1 9   -9  1  o 619.224 16.065  51786.47  2664.45   0.0000    0.0000    51786.47  2664.45   ?       ?       619.224 16.065  ?              ?        
1 1 1 9   -9  2  o 170.126 3.3374  3878.95   152.074   3927.48   215.471   3830.78   214.662   171.187 4.6993  169.065 4.7404  2.121475       6.674892 
1 1 1 9   -9  3  o 125.345 2.6695  2107.84   89.427    1942.06   126.252   2274.78   126.687   120.390 3.9152  130.300 3.6299  -9.909935      5.339033 
1 1 1 9   -9  4  o 561.198 10.394  42483.10  1562.36   42718.39  2209.34   42247.74  2209.68   562.764 14.657  559.632 14.741  3.131714       20.78792 
1 1 1 9   -9  5  o 487.644 8.9316  32019.70  1166.54   31627.01  1649.04   32413.06  1650.44   484.637 12.704  490.652 12.559  -6.015808      17.86330 
1 1 1 9   -9  6  o 282.446 5.3017  10704.74  401.082   10747.32  566.986   10662.08  567.446   283.010 7.4797  281.883 7.5157  1.127167       10.60333 
1 1 1 9   -9  7  o 222.619 4.2245  6645.61   251.891   6706.74   356.599   6584.72   355.859   223.642 5.9530  221.596 5.9955  2.045822       8.448950 
1 1 1 9   -9  8  o 252.407 4.7659  8547.41   322.174   8424.16   456.453   8669.77   454.797   250.590 6.8005  254.225 6.6790  -3.634552      9.531855 
1 1 1 9   -9  9  o 256.737 4.8215  8843.15   331.553   8916.93   470.195   8770.18   467.588   257.802 6.8093  255.671 6.8280  2.131470       9.643023 
1 1 1 9   -9  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -9  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -9  12 o 253.328 4.8230  8615.39   327.258   8645.30   463.387   8585.62   462.242   253.767 6.8174  252.889 6.8242  0.8780823      9.646059 
1 1 1 9   -9  13 o 107.736 2.4340  1555.74   70.232    1534.61   99.511    1576.72   99.135    107.006 3.4720  108.465 3.4123  -1.459778      4.868095 
1 1 1 9   -9  14 o 218.231 4.2370  6395.41   247.662   6378.03   350.090   6412.81   350.403   217.934 5.9975  218.528 5.9865  -0.5944672     8.473927 
1 1 1 9   -9  15 o 75.777  2.0404  769.708   41.408    779.189   58.336    760.081   58.786    76.248  2.8564  75.306  2.9145  0.9418564      4.080840 
1 1 1 9   -9  16 o 120.831 2.6500  1958.34   85.762    1929.24   120.754   1987.95   121.823   119.925 3.7593  121.737 3.7361  -1.812378      5.300057 
1 1 1 9   -9  17 o 237.681 4.5946  7611.90   292.443   7778.64   413.039   7444.29   414.116   240.309 6.4170  235.053 6.5776  5.255569       9.189271 
1 1 1 9   -9  18 o 166.108 3.3917  3709.68   150.885   3758.68   212.733   3660.07   214.041   167.218 4.7497  164.998 4.8432  2.220276       6.783482 
1 1 1 9   -9  19 o 148.404 3.1099  2961.54   123.557   3051.17   174.127   2870.64   175.350   150.677 4.3145  146.132 4.4800  4.545532       6.219719 
1 1 1 9   -9  20 o 77.763  2.1032  814.323   43.646    754.610   62.798    870.124   60.706    74.988  3.1265  80.539  2.8141  -5.550636      4.206440 
1 1 1 9   -9  21 o 93.598  2.2905  1178.23   57.309    1126.77   82.448    1226.35   79.717    91.608  3.3601  95.588  3.1136  -3.979385      4.580906 
1 1 1 9   -9  22 o 157.111 3.2696  3325.83   137.470   3206.58   196.019   3441.25   192.843   154.316 4.7424  159.906 4.5025  -5.589783      6.539295 
1 1 1 9   -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -9  24 f 70.650  2.0903  670.586   39.466    661.535   57.586    678.602   54.195    70.194  3.0628  71.106  2.8455  -0.9119339     4.180667 
1 1 1 9   -9  25 o 55.961  1.9944  422.956   29.629    401.123   43.823    441.338   40.212    54.574  3.0096  57.349  2.6178  -2.775059      3.988856 
1 1 1 9   -9  26 o 35.860  2.0280  173.669   19.160    174.654   29.019    172.907   25.511    35.930  3.0439  35.790  2.6807  0.1408005      4.056084 
1 1 1 9   -9  27 o 139.902 2.9795  2636.98   111.590   2755.38   160.514   2526.23   155.242   142.944 4.1924  136.861 4.2349  6.082596       5.959020 
1 1 1 9   -9  28 o 113.044 2.6074  1723.62   78.849    1707.84   114.106   1738.03   109.082   112.528 3.7858  113.560 3.5863  -1.031349      5.214748 
1 1 1 9   -9  29 o 80.784  2.2429  880.884   48.347    861.651   71.111    897.415   65.929    79.938  3.3212  81.629  3.0154  -1.690887      4.485858 
1 1 1 9   -9  30 o 35.764  2.0166  171.168   18.984    190.344   29.352    157.378   24.890    37.458  2.9494  34.069  2.7510  3.388176       4.033221 
1 1 1 9   -9  31 o 46.347  1.9880  288.971   24.400    308.279   37.120    274.280   32.378    47.685  2.9203  45.010  2.6981  2.674728       3.975956 
1 1 1 9   -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -9  33 o 16.325  2.7492  34.321    11.785    55.904    19.812    22.504    14.660    19.872  3.8613  12.778  3.9144  7.094481       5.498404 
1 1 1 9   -9  34 o 98.738  2.4898  1331.48   65.682    1421.07   97.175    1256.12   89.124    101.753 3.5655  95.722  3.4761  6.030304       4.979558 
1 1 1 9   -9  35 o 45.108  2.0969  274.529   24.874    307.075   39.109    252.419   32.235    47.275  3.1058  42.942  2.8182  4.332977       4.193839 
1 1 1 9   -9  36 o 11.651  2.8810  17.431    10.994    12.512    18.474    20.128    13.679    11.239  4.3354  12.063  3.7955  -0.8237906     5.762042 
1 1 1 9   -9  37 o 36.684  2.3437  193.290   21.750    164.754   34.517    212.080   28.010    34.102  3.8462  39.266  2.6792  -5.164883      4.687313 
1 1 1 9   -9  38 o 15.451  3.0725  31.218    12.980    51.442    22.554    21.201    15.873    18.525  4.5729  12.377  4.1049  6.148576       6.145036 
1 1 1 9   -9  39 o 10.533  2.9358  6.1345    11.697    22.710    21.228    -1.0919   14.017    13.057  4.7236  8.0090  3.4876  5.047641       5.871575 
1 1 1 9   -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -9  41 o 11.826  3.1444  18.591    13.741    4.5975    25.256    24.475    16.377    10.885  4.7106  12.767  4.1664  -1.882656      6.288762 
1 1 1 9   -9  42 o 10.683  2.8389  12.545    12.994    -20.4976  24.302    25.774    15.377    8.4657  4.0111  12.901  4.0185  -4.435051      5.677768 
1 1 1 9   -9  43 o 23.419  3.4711  96.803    19.981    77.231    34.725    106.491   24.431    20.301  5.9812  26.538  3.5243  -6.236822      6.942287 
1 1 1 9   -9  44 f 10.249  2.5267  5.4246    12.988    -65.8776  24.967    31.879    15.207    6.3956  3.2177  14.102  3.8966  -7.706836      5.053423 
1 1 1 9   -9  45 o 12.753  3.5659  18.294    15.783    48.862    32.766    9.0598    18.010    15.717  5.8379  9.7882  4.0965  5.928757       7.131800 
1 1 1 9   -9  46 o 12.262  3.3937  25.556    15.595    20.791    30.324    27.270    18.183    12.002  5.1780  12.522  4.3883  -0.5196857     6.787429 
1 1 1 9   -8  0  o 188.001 5.2216  4737.52   262.939   0.0000    0.0000    4737.52   262.939   ?       ?       188.001 5.2216  ?              ?        
1 1 1 9   -8  1  o 627.744 16.274  53216.13  2736.26   0.0000    0.0000    53216.13  2736.26   ?       ?       627.744 16.274  ?              ?        
1 1 1 9   -8  2  o 345.524 8.9437  16029.42  827.724   0.0000    0.0000    16029.42  827.724   ?       ?       345.524 8.9437  ?              ?        
1 1 1 9   -8  3  o 231.968 4.4774  7217.44   278.061   6957.84   392.863   7478.04   393.614   227.782 6.4392  236.154 6.2228  -8.371948      8.954709 
1 1 1 9   -8  4  o 326.029 6.0718  14269.35  530.230   14232.46  749.340   14306.34  750.378   325.607 8.5920  326.452 8.5817  -0.8450012     12.14366 
1 1 1 9   -8  5  o 286.249 5.3534  10994.07  410.449   10947.24  580.123   11041.02  580.801   285.637 7.5826  286.860 7.5591  -1.222443      10.70677 
1 1 1 9   -8  6  o 454.582 8.3583  27803.20  1017.69   27663.47  1439.50   27942.82  1438.96   453.434 11.852  455.729 11.788  -2.295044      16.71660 
1 1 1 9   -8  7  o 339.117 6.2952  15442.98  571.793   15354.67  809.575   15530.88  807.702   338.147 8.9385  340.089 8.8669  -1.942047      12.59038 
1 1 1 9   -8  8  o 93.808  2.1537  1178.21   54.095    1204.32   77.794    1153.77   75.271    94.813  3.0633  92.803  3.0282  2.010719       4.307391 
1 1 1 9   -8  9  o 499.477 9.1669  33616.26  1226.34   33311.49  1735.20   33920.40  1733.42   497.199 13.030  501.754 12.898  -4.554535      18.33382 
1 1 1 9   -8  10 o 88.516  2.1414  1049.76   50.760    1044.96   72.413    1054.40   71.173    88.317  3.0612  88.715  2.9952  -0.3984680     4.282762 
1 1 1 9   -8  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -8  12 o 374.800 9.9219  18992.32  995.690   19599.54  1408.91   18386.46  1407.33   380.840 13.812  368.760 14.248  12.07974       19.84390 
1 1 1 9   -8  13 o 299.557 5.6460  12062.54  452.876   12398.63  640.372   11726.26  640.556   303.747 7.8710  295.367 8.0967  8.380127       11.29199 
1 1 1 9   -8  14 o 67.420  1.9455  609.032   35.130    606.056   49.349    612.089   50.020    67.254  2.7395  67.587  2.7631  -0.3336105     3.890931 
1 1 1 9   -8  15 o 36.168  1.7647  176.117   16.988    176.083   23.799    176.153   24.258    36.166  2.4716  36.170  2.5197  -0.3398895E-02 3.529491 
1 1 1 9   -8  16 o 241.819 4.6566  7869.21   301.551   8039.71   425.958   7697.92   426.958   244.458 6.5054  239.179 6.6646  5.279465       9.313259 
1 1 1 9   -8  17 o 54.814  1.8626  402.770   27.343    403.519   38.382    401.999   38.963    54.866  2.6117  54.762  2.6563  0.1043091      3.725206 
1 1 1 9   -8  18 o 116.714 2.6506  1839.11   82.292    1609.85   117.375   2060.75   115.408   109.500 4.0019  123.928 3.4768  -14.42790      5.301279 
1 1 1 9   -8  19 o 98.084  2.3241  1291.15   61.022    1284.58   87.679    1297.31   84.981    97.838  3.3458  98.329  3.2267  -0.4906387     4.648178 
1 1 1 9   -8  20 o 120.101 2.6571  1938.97   85.398    1881.09   122.157   1994.30   119.432   118.338 3.8539  121.865 3.6589  -3.526855      5.314170 
1 1 1 9   -8  21 f 38.498  1.8332  201.175   18.623    185.668   27.548    214.226   25.272    37.097  2.7929  39.900  2.3755  -2.802361      3.666490 
1 1 1 9   -8  22 o 120.708 2.6809  1958.55   86.629    1939.92   124.245   1976.18   120.850   120.142 3.8610  121.274 3.7204  -1.132980      5.361750 
1 1 1 9   -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -8  24 o 108.098 2.5797  1574.93   74.473    1480.86   107.240   1662.55   103.502   104.953 3.8148  111.242 3.4737  -6.288788      5.159389 
1 1 1 9   -8  25 o 206.186 4.0695  5747.15   224.724   5769.84   320.176   5725.12   315.492   206.576 5.7865  205.795 5.7235  0.7810364      8.138977 
1 1 1 9   -8  26 o 166.829 3.4108  3753.52   152.352   3905.57   218.143   3608.73   212.871   170.135 4.7869  163.523 4.8601  6.611938       6.821698 
1 1 1 9   -8  27 o 120.053 2.6775  1938.83   86.044    2005.72   124.394   1877.46   119.145   122.033 3.8057  118.074 3.7673  3.959351       5.355008 
1 1 1 9   -8  28 o 72.429  2.1540  708.679   41.554    673.217   61.159    739.088   56.635    70.718  3.2288  74.139  2.8520  -3.420769      4.307998 
1 1 1 9   -8  29 o 75.086  2.2000  761.859   44.014    735.039   64.997    784.574   59.817    73.836  3.2865  76.337  2.9255  -2.500366      4.399972 
1 1 1 9   -8  30 o 60.025  2.0296  483.714   32.460    504.287   48.864    467.465   43.427    61.147  2.9835  58.903  2.7525  2.243912       4.059277 
1 1 1 9   -8  31 o 26.800  2.2064  95.243    15.169    127.858   23.782    72.873    19.696    30.627  2.9350  22.974  3.2952  7.653118       4.412787 
1 1 1 9   -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -8  33 o 52.092  2.0739  367.392   28.551    385.735   43.882    353.928   37.596    53.166  3.0949  51.018  2.7615  2.148403       4.147797 
1 1 1 9   -8  34 o 15.417  2.8824  30.756    12.103    49.626    20.104    20.031    15.157    18.595  4.1426  12.239  4.0089  6.355398       5.764756 
1 1 1 9   -8  35 o 15.825  2.9762  36.464    12.504    33.191    21.286    38.188    15.452    15.310  4.7213  16.340  3.6252  -1.030231      5.952493 
1 1 1 9   -8  36 o 20.408  2.8970  66.114    14.619    40.593    24.275    80.634    18.311    16.707  5.0199  24.109  2.8934  -7.402290      5.794048 
1 1 1 9   -8  37 o 38.182  2.2580  199.957   22.397    216.906   36.077    189.328   28.569    39.366  3.4565  36.998  2.9063  2.367725       4.515980 
1 1 1 9   -8  38 o 28.903  2.5273  112.930   18.580    145.561   31.248    95.084    23.109    31.936  3.7229  25.870  3.4188  6.066031       5.054564 
1 1 1 9   -8  39 o 28.194  3.0378  128.655   19.762    85.573    32.965    152.821   24.690    23.336  5.3837  33.053  2.8156  -9.717588      6.075530 
1 1 1 9   -8  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -8  41 o 24.287  3.0491  89.376    17.949    96.145    31.722    86.187    21.769    24.402  5.0209  24.173  3.4610  0.2287884      6.098172 
1 1 1 9   -8  42 o 17.456  3.5502  50.224    16.707    53.880    29.892    48.563    20.147    17.502  5.6221  17.409  4.3367  0.9315109E-01  7.100328 
1 1 1 9   -8  43 o 23.196  3.0390  73.438    17.536    148.471   31.346    39.258    21.156    31.066  3.8494  15.326  4.7036  15.74049       6.077979 
1 1 1 9   -8  44 o 12.017  3.3439  16.063    14.041    34.757    28.112    9.8487    16.207    14.282  5.3869  9.7523  3.9632  4.530033       6.687739 
1 1 1 9   -8  45 o 8.0888  2.6866  -9.3391   13.600    -26.2134  27.542    -3.8977   15.640    8.4580  4.0769  7.7195  3.5001  0.7385192      5.373233 
1 1 1 9   -8  46 o 16.000  3.7996  46.407    18.112    73.761    32.908    34.521    21.693    18.390  5.8981  13.610  4.7916  4.779851       7.599132 
1 1 1 9   -7  0  o 99.853  3.2329  1335.75   86.466    0.0000    0.0000    1335.75   86.466    ?       ?       99.853  3.2329  ?              ?        
1 1 1 9   -7  1  o 589.511 15.332  46888.03  2420.97   0.0000    0.0000    46888.03  2420.97   ?       ?       589.511 15.332  ?              ?        
1 1 1 9   -7  2  o 534.042 13.798  38427.29  1973.63   0.0000    0.0000    38427.29  1973.63   ?       ?       534.042 13.798  ?              ?        
1 1 1 9   -7  3  o 609.088 15.885  50086.50  2591.46   0.0000    0.0000    50086.50  2591.46   ?       ?       609.088 15.885  ?              ?        
1 1 1 9   -7  4  o 345.956 6.3957  16071.46  592.634   16207.03  837.825   15935.71  838.396   347.421 9.0034  344.492 9.0862  2.928650       12.79143 
1 1 1 9   -7  5  o 158.852 3.1509  3381.90   134.053   3340.98   189.952   3422.50   189.209   157.894 4.4915  159.811 4.4203  -1.916534      6.301751 
1 1 1 9   -7  6  o 227.891 4.2915  6963.90   261.945   6923.08   371.534   7004.24   369.368   227.226 6.1045  228.557 6.0336  -1.331070      8.583088 
1 1 1 9   -7  7  o 176.563 3.4833  4179.55   164.686   4098.55   234.059   4258.97   231.761   174.867 4.9972  178.260 4.8540  -3.393494      6.966588 
1 1 1 9   -7  8  o 444.514 8.1050  26579.45  965.003   26627.43  1365.68   26531.61  1363.76   444.915 11.460  444.113 11.465  0.8020630      16.21005 
1 1 1 9   -7  9  f 298.299 5.5545  11942.49  443.796   11957.99  628.049   11927.04  627.197   298.492 7.8555  298.106 7.8550  0.3864746      11.10894 
1 1 1 9   -7  10 o 174.592 3.4660  4085.99   162.081   4117.08   229.194   4054.89   229.240   175.257 4.8825  173.927 4.9208  1.329803       6.932007 
1 1 1 9   -7  11 o 234.767 4.5023  7393.70   283.094   7494.42   400.091   7292.72   400.619   236.372 6.3194  233.163 6.4148  3.208206       9.004669 
1 1 1 9   -7  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -7  13 o 223.302 4.3163  6690.77   258.162   6649.05   364.497   6732.76   365.699   222.603 6.1133  224.001 6.0951  -1.398163      8.632667 
1 1 1 9   -7  14 o 87.535  2.1890  1026.65   51.319    1005.56   72.143    1048.25   73.016    86.624  3.1093  88.445  3.0822  -1.820221      4.378076 
1 1 1 9   -7  15 f 116.581 2.5786  1824.27   80.422    1743.69   114.663   1902.29   112.827   114.040 3.7538  119.121 3.5362  -5.081055      5.157121 
1 1 1 9   -7  16 o 129.497 2.8331  2260.50   97.690    1996.34   139.072   2517.80   137.254   121.979 4.2566  137.015 3.7400  -15.03663      5.666242 
1 1 1 9   -7  17 o 104.934 2.4339  1480.26   68.250    1389.58   97.643    1566.88   95.434    101.778 3.5818  108.090 3.2963  -6.311501      4.867742 
1 1 1 9   -7  18 o 168.472 3.4712  3826.71   156.054   3470.79   221.770   4175.79   219.632   160.657 5.1536  176.286 4.6514  -15.62923      6.942333 
1 1 1 9   -7  19 o 113.122 2.5443  1718.76   77.037    1683.73   110.311   1752.11   107.631   111.991 3.6774  114.254 3.5170  -2.263084      5.088531 
1 1 1 9   -7  20 o 79.844  2.1567  861.750   45.764    757.846   65.866    958.724   63.632    75.145  3.2725  84.543  2.8100  -9.398033      4.313393 
1 1 1 9   -7  21 o 60.695  1.9112  492.030   30.979    548.367   45.352    442.751   42.416    63.940  2.6481  57.450  2.7565  6.490170       3.822349 
1 1 1 9   -7  22 o 117.884 2.6156  1865.64   82.556    1930.27   118.638   1804.96   114.952   119.863 3.6953  115.906 3.7027  3.956451       5.231210 
1 1 1 9   -7  23 o 139.747 5.8270  2637.50   218.113   0.0000    0.0000    2637.50   218.113   ?       ?       139.747 5.8270  ?              ?        
1 1 1 9   -7  24 o 134.973 2.9055  2448.71   105.003   2527.85   150.909   2374.42   146.196   137.086 4.1099  132.861 4.1082  4.225098       5.811078 
1 1 1 9   -7  25 o 263.554 5.0588  9437.45   356.944   9825.50   507.666   9058.05   501.974   268.968 7.0467  258.140 7.2600  10.82831       10.11751 
1 1 1 9   -7  26 o 30.415  2.1415  121.884   16.806    163.716   26.137    92.394    21.945    34.804  2.8282  26.026  3.2164  8.777653       4.282980 
1 1 1 9   -7  27 o 114.600 2.6274  1766.53   80.584    1814.99   116.821   1722.54   111.306   116.091 3.7569  113.109 3.6739  2.981789       5.254738 
1 1 1 9   -7  28 o 34.785  2.1541  169.779   19.088    134.491   29.064    196.546   25.313    31.400  3.5160  38.169  2.4895  -6.769365      4.308172 
1 1 1 9   -7  29 o 82.827  2.2656  923.484   50.122    941.169   73.985    908.482   68.143    83.541  3.3064  82.112  3.0983  1.429039       4.531165 
1 1 1 9   -7  30 o 14.576  2.7980  30.675    11.350    21.589    18.150    36.510    14.545    13.022  4.3905  16.129  3.4698  -3.106534      5.596087 
1 1 1 9   -7  31 o 48.225  2.0182  313.314   25.758    330.067   39.285    300.682   34.114    49.325  2.9876  47.124  2.7142  2.201050       4.036395 
1 1 1 9   -7  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -7  33 o 37.003  2.1355  185.799   20.678    196.207   32.441    178.677   26.835    37.817  3.2338  36.189  2.7900  1.628052       4.271049 
1 1 1 9   -7  34 o 31.270  2.3271  138.093   18.442    122.429   29.288    148.384   23.739    29.600  3.7804  32.939  2.7148  -3.339350      4.654169 
1 1 1 9   -7  35 o 23.739  2.5384  79.195    14.991    79.439    24.962    79.058    18.748    23.602  4.0972  23.876  2.9977  -0.2740726     5.076761 
1 1 1 9   -7  36 o 43.285  2.2078  257.192   24.882    266.399   39.718    251.244   31.924    43.794  3.4129  42.775  2.8018  1.019756       4.415647 
1 1 1 9   -7  37 o 26.447  2.5342  97.711    16.852    104.408   28.124    93.960    21.050    26.974  4.0150  25.920  3.0931  1.054304       5.068304 
1 1 1 9   -7  38 f 9.4677  2.8323  3.1331    12.212    -8.9031   22.095    8.4276    14.654    9.2402  4.1775  9.6951  3.8257  -0.4549274     5.664553 
1 1 1 9   -7  39 o 12.777  3.1606  23.018    13.525    9.7427    24.731    28.683    16.155    11.655  4.8324  13.900  4.0751  -2.245539      6.321276 
1 1 1 9   -7  40 o 20.376  3.2222  72.028    17.000    40.345    29.341    88.039    20.858    16.043  5.5771  24.708  3.2289  -8.664913      6.444401 
1 1 1 9   -7  41 o 12.389  3.1743  15.642    13.093    38.973    24.147    5.9267    15.582    15.526  5.0588  9.2520  3.8359  6.273723       6.348692 
1 1 1 9   -7  42 o 22.260  3.2875  83.122    17.871    71.249    31.424    88.798    21.726    20.111  5.6174  24.410  3.4167  -4.298603      6.574906 
1 1 1 9   -7  43 o 28.044  3.1001  127.800   20.673    116.615   35.818    133.388   25.315    26.050  5.3133  30.037  3.1956  -3.986822      6.200250 
1 1 1 9   -7  44 o 9.3122  2.9622  -0.9325   13.508    4.3625    26.957    -2.7077   15.608    10.697  4.7403  7.9275  3.5537  2.769488       5.924469 
1 1 1 9   -7  45 o 14.462  3.4665  39.181    16.597    23.643    31.370    45.221    19.559    12.693  5.3643  16.232  4.3920  -3.538699      6.932913 
1 1 1 9   -7  46 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -6  0  o 291.451 7.7248  11397.58  603.031   0.0000    0.0000    11397.58  603.031   ?       ?       291.451 7.7248  ?              ?        
1 1 1 9   -6  1  o 274.688 7.3062  10122.30  537.551   0.0000    0.0000    10122.30  537.551   ?       ?       274.688 7.3062  ?              ?        
1 1 1 9   -6  2  o 393.547 10.234  20812.12  1078.75   0.0000    0.0000    20812.12  1078.75   ?       ?       393.547 10.234  ?              ?        
1 1 1 9   -6  3  o 64.959  2.5053  565.232   43.590    0.0000    0.0000    565.232   43.590    ?       ?       64.959  2.5053  ?              ?        
1 1 1 9   -6  4  o 469.451 12.226  29658.06  1537.27   0.0000    0.0000    29658.06  1537.27   ?       ?       469.451 12.226  ?              ?        
1 1 1 9   -6  5  o 258.917 4.8338  8991.99   335.207   8933.26   475.290   9050.11   472.829   258.073 6.8759  259.760 6.7958  -1.686920      9.667512 
1 1 1 9   -6  6  o 177.214 3.4072  4208.76   161.722   4247.55   229.793   4170.70   227.640   178.023 4.8192  176.405 4.8178  1.617905       6.814354 
1 1 1 9   -6  7  o 123.525 2.6055  2044.47   86.198    2035.91   122.551   2052.85   121.264   123.269 3.7117  123.781 3.6575  -0.5127258     5.210979 
1 1 1 9   -6  8  o 642.551 11.799  55805.03  2030.44   56785.84  2872.27   54825.30  2870.68   648.245 16.542  636.857 16.829  11.38818       23.59785 
1 1 1 9   -6  9  o 134.382 2.8347  2420.08   102.019   2457.15   144.010   2382.73   144.546   135.416 3.9704  133.348 4.0470  2.067841       5.669384 
1 1 1 9   -6  10 o 74.238  2.0103  738.337   39.898    678.808   55.864    800.316   57.002    71.183  2.9300  77.293  2.7533  -6.110222      4.020635 
1 1 1 9   -6  11 o 123.275 2.6894  2036.24   88.778    1973.06   124.979   2100.59   126.130   121.344 3.8453  125.205 3.7610  -3.861557      5.378820 
1 1 1 9   -6  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -6  13 o 141.099 2.9367  2668.66   110.977   2662.34   157.951   2674.83   155.959   140.933 4.1843  141.265 4.1218  -0.3320465     5.873437 
1 1 1 9   -6  14 o 246.889 4.6993  8185.94   310.653   8460.44   440.698   7914.83   437.974   251.012 6.5548  242.766 6.7355  8.246490       9.398515 
1 1 1 9   -6  15 o 259.389 4.9607  9048.20   344.534   8803.43   488.263   9290.93   486.231   255.878 7.1241  262.899 6.9050  -7.020920      9.921313 
1 1 1 9   -6  16 o 393.944 7.4106  21019.04  781.670   20402.66  1106.25   21633.64  1104.65   388.108 10.642  399.780 10.316  -11.67242      14.82118 
1 1 1 9   -6  17 o 221.329 4.3499  6598.67   257.548   6244.63   365.287   6948.63   363.179   215.388 6.3318  227.269 5.9661  -11.88161      8.699745 
1 1 1 9   -6  18 o 73.988  2.0352  735.033   40.265    713.461   58.117    754.946   55.838    72.939  2.9748  75.037  2.7782  -2.097076      4.070364 
1 1 1 9   -6  19 o 89.501  2.2193  1074.09   53.176    1092.14   76.638    1057.34   73.844    90.224  3.1713  88.778  3.1054  1.445702       4.438511 
1 1 1 9   -6  20 o 28.889  1.8377  113.341   13.982    106.812   20.520    119.000   19.103    28.085  2.7636  29.693  2.4230  -1.608259      3.675385 
1 1 1 9   -6  21 o 35.609  1.8660  172.093   17.513    161.114   26.018    181.189   23.682    34.539  2.8375  36.679  2.4242  -2.140236      3.732037 
1 1 1 9   -6  22 o 124.656 3.5217  2149.31   109.638   2261.39   134.867   1930.90   188.267   129.717 3.8817  119.594 5.8773  10.12260       7.043409 
1 1 1 9   -6  23 o 203.288 4.1078  5590.23   223.233   5239.51   317.783   5931.90   313.657   196.919 6.0249  209.657 5.5854  -12.73792      8.215655 
1 1 1 9   -6  24 o 156.933 3.2292  3314.91   135.303   3682.30   194.282   2968.91   188.541   165.407 4.3852  148.460 4.7414  16.94635       6.458401 
1 1 1 9   -6  25 o 112.352 2.5689  1693.06   77.194    1825.61   111.938   1572.86   106.595   116.541 3.5860  108.163 3.6793  8.378151       5.137775 
1 1 1 9   -6  26 o 106.428 2.5202  1521.26   71.773    1569.10   104.324   1478.26   98.899    108.010 3.6060  104.847 3.5217  3.162910       5.040398 
1 1 1 9   -6  27 o 59.676  2.0575  480.619   32.587    466.581   48.679    492.019   43.866    58.829  3.1002  60.523  2.7060  -1.693306      4.115047 
1 1 1 9   -6  28 o 80.613  2.2003  867.789   47.294    990.298   70.235    766.160   63.971    85.784  3.0568  75.441  3.1658  10.34302       4.400694 
1 1 1 9   -6  29 o 66.904  2.1839  609.324   38.625    559.710   57.580    649.914   52.081    64.325  3.3536  69.484  2.7984  -5.159142      4.367798 
1 1 1 9   -6  30 o 34.447  2.0666  155.487   18.483    207.030   29.219    121.103   23.865    39.088  2.8095  29.805  3.0316  9.283382       4.133254 
1 1 1 9   -6  31 o 27.224  2.3119  101.164   16.314    105.795   25.348    97.889    21.316    27.712  3.4925  26.735  3.0302  0.9764481      4.623836 
1 1 1 9   -6  32 o 23.139  2.4924  73.541    14.476    78.284    23.968    70.818    18.164    23.630  3.9245  22.648  3.0736  0.9820518      4.984886 
1 1 1 9   -6  33 o 71.109  2.1782  679.076   41.212    781.955   62.601    600.386   54.750    75.798  3.0835  66.419  3.0775  9.378479       4.356460 
1 1 1 9   -6  34 o 31.074  2.2828  126.477   18.211    170.677   29.987    100.651   22.922    35.197  3.2163  26.950  3.2403  8.247051       4.565548 
1 1 1 9   -6  35 o 28.496  2.3475  108.434   17.153    134.253   28.331    93.493    21.552    31.052  3.4654  25.940  3.1677  5.112051       4.695031 
1 1 1 9   -6  36 o 37.482  2.1806  187.846   21.274    228.761   34.497    162.735   27.025    40.643  3.1946  34.322  2.9689  6.320404       4.361195 
1 1 1 9   -6  37 o 30.531  2.4895  130.143   19.193    136.557   32.113    126.579   23.938    30.910  3.9706  30.153  3.0040  0.7571793      4.978905 
1 1 1 9   -6  38 o 19.512  3.1378  58.661    15.457    50.377    26.499    62.933    19.030    18.119  5.1928  20.904  3.5240  -2.784723      6.275662 
1 1 1 9   -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -6  40 o 12.759  3.2711  19.741    13.281    32.591    25.045    14.714    15.665    14.680  5.1499  10.839  4.0345  3.840340       6.542108 
1 1 1 9   -6  41 o 39.795  2.4617  223.753   24.993    265.916   42.713    201.801   30.820    42.199  3.8204  37.392  3.1054  4.807117       4.923329 
1 1 1 9   -6  42 o 16.981  3.4987  43.235    15.752    65.071    29.338    34.391    18.671    19.334  5.4376  14.628  4.4040  4.705340       6.997358 
1 1 1 9   -6  43 o 8.4339  2.7361  -4.6212   12.219    -9.4482   25.163    -3.1317   13.978    9.3506  4.3138  7.5171  3.3669  1.833463       5.472195 
1 1 1 9   -6  44 o 14.614  3.5288  37.402    16.138    30.212    31.809    39.894    18.727    13.749  5.5647  15.479  4.3411  -1.729218      7.057673 
1 1 1 9   -6  45 o 9.7636  3.1104  2.3199    14.839    6.6838    30.497    0.9663    16.985    11.008  4.9485  8.5196  3.7697  2.488055       6.220761 
1 1 1 9   -5  0  f 297.381 7.8619  11867.09  626.222   0.0000    0.0000    11867.09  626.222   ?       ?       297.381 7.8619  ?              ?        
1 1 1 9   -5  1  o 614.932 15.893  51055.20  2617.77   0.0000    0.0000    51055.20  2617.77   ?       ?       614.932 15.893  ?              ?        
1 1 1 9   -5  2  o 116.777 3.5935  1827.07   112.398   0.0000    0.0000    1827.07   112.398   ?       ?       116.777 3.5935  ?              ?        
1 1 1 9   -5  3  o 447.776 11.612  26969.92  1392.64   0.0000    0.0000    26969.92  1392.64   ?       ?       447.776 11.612  ?              ?        
1 1 1 9   -5  4  o 719.325 18.531  70069.87  3570.33   0.0000    0.0000    70069.87  3570.33   ?       ?       719.325 18.531  ?              ?        
1 1 1 9   -5  5  o 455.691 9.7548  27476.19  1129.90   29572.42  1963.28   26438.02  1381.64   468.048 15.660  443.335 11.635  24.71304       19.50967 
1 1 1 9   -5  6  f 178.738 3.5101  4281.90   168.042   4315.86   237.946   4248.12   237.350   179.445 4.9506  178.031 4.9774  1.414581       7.020203 
1 1 1 9   -5  7  o 187.931 3.6870  4734.79   185.560   4831.05   262.156   4638.13   262.687   189.848 5.1554  186.015 5.2723  3.832977       7.374004 
1 1 1 9   -5  8  o 400.333 9.0119  21462.87  912.851   21232.93  1117.61   21923.73  1582.25   397.466 10.498  403.200 14.651  -5.733643      18.02370 
1 1 1 9   -5  9  o 351.328 6.5455  16585.02  615.549   15901.48  870.801   17267.67  870.234   344.068 9.4490  358.587 9.0605  -14.51883      13.09108 
1 1 1 9   -5  10 o 382.702 7.0786  19683.18  725.601   19769.51  1027.12   19597.17  1025.19   383.542 9.9982  381.863 10.023  1.678802       14.15728 
1 1 1 9   -5  11 o 289.091 5.4467  11217.48  421.752   11235.74  597.410   11199.33  595.490   289.326 7.7090  288.858 7.6967  0.4680481      10.89343 
1 1 1 9   -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -5  13 o 97.230  2.3300  1272.35   60.377    1140.98   86.167    1399.08   84.627    92.274  3.4864  102.186 3.0919  -9.911713      4.659907 
1 1 1 9   -5  14 o 179.175 3.6696  4330.24   174.770   3728.56   247.776   4925.99   246.554   166.699 5.5493  191.651 4.8030  -24.95203      7.339160 
1 1 1 9   -5  15 o 80.242  2.0863  863.767   44.788    839.924   64.345    886.176   62.381    79.165  3.0345  81.319  2.8640  -2.153679      4.172635 
1 1 1 9   -5  16 o 216.431 4.1554  6296.37   240.703   6619.01   342.037   5979.80   338.797   221.941 5.7537  210.921 5.9969  11.01923       8.310742 
1 1 1 9   -5  17 o 173.164 3.5370  4035.28   163.745   3779.36   232.771   4285.99   230.387   167.700 5.1821  178.628 4.8153  -10.92865      7.073967 
1 1 1 9   -5  18 f 81.241  2.1281  886.698   46.216    853.164   66.676    917.708   64.117    79.755  3.1212  82.726  2.8936  -2.970589      4.256166 
1 1 1 9   -5  19 o 100.121 2.3653  1344.56   63.401    1364.65   91.298    1325.84   88.112    100.841 3.3801  99.401  3.3094  1.439903       4.730507 
1 1 1 9   -5  20 o 43.768  1.8216  255.639   20.973    320.507   31.067    201.317   28.429    48.893  2.3723  38.644  2.7649  10.24944       3.643106 
1 1 1 9   -5  21 o 189.408 3.7839  4835.96   191.901   4747.37   273.295   4922.12   269.523   187.678 5.4366  191.139 5.2645  -3.460770      7.567829 
1 1 1 9   -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -5  23 o 167.619 3.4212  3784.01   153.566   3792.97   219.540   3775.44   214.885   167.804 4.8845  167.434 4.7915  0.3700867      6.842321 
1 1 1 9   -5  24 o 125.211 2.8065  2109.13   94.037    2084.03   135.463   2132.48   130.644   124.480 4.0629  125.943 3.8728  -1.463257      5.612990 
1 1 1 9   -5  25 o 136.582 2.9211  2507.43   106.778   2647.91   153.876   2376.96   148.294   140.273 4.0955  132.891 4.1662  7.381577       5.842111 
1 1 1 9   -5  26 o 241.606 4.7043  7933.71   304.403   8089.00   433.685   7782.90   427.366   243.944 6.6373  239.268 6.6685  4.676697       9.408673 
1 1 1 9   -5  27 o 136.621 2.9310  2513.00   107.084   2723.24   154.924   2320.68   148.180   142.099 4.0704  131.143 4.2185  10.95657       5.862072 
1 1 1 9   -5  28 o 44.496  2.0539  266.333   24.178    276.953   36.678    258.173   32.152    45.261  3.0431  43.731  2.7591  1.530788       4.107708 
1 1 1 9   -5  29 f 37.344  2.0984  188.280   20.574    194.134   31.799    184.065   26.982    37.812  3.1689  36.876  2.7516  0.9368439      4.196807 
1 1 1 9   -5  30 o 8.6144  2.5233  2.8070    9.4422    -2.1607   15.542    5.7130    11.887    8.5079  3.6886  8.7209  3.4443  -0.2129545     5.046682 
1 1 1 9   -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -5  32 o 56.303  2.0958  428.890   31.233    447.897   47.739    414.665   41.299    57.344  3.1198  55.261  2.7993  2.083351       4.191561 
1 1 1 9   -5  33 o 13.198  2.8799  22.779    10.929    30.101    18.081    18.564    13.719    14.621  4.3183  11.776  3.8115  2.845257       5.759847 
1 1 1 9   -5  34 o 30.255  2.3365  127.187   17.924    124.820   29.348    128.595   22.637    29.888  3.7484  30.623  2.7905  -0.7345810     4.673025 
1 1 1 9   -5  35 o 41.299  2.1577  229.872   23.326    261.813   37.181    209.141   29.954    43.569  3.2086  39.028  2.8858  4.540813       4.315473 
1 1 1 9   -5  36 o 30.141  2.3767  121.528   18.391    153.421   30.410    103.137   23.092    33.111  3.4810  27.170  3.2368  5.940742       4.753371 
1 1 1 9   -5  37 o 39.366  2.3797  220.177   23.884    204.679   38.571    229.814   30.417    37.955  3.8472  40.777  2.8018  -2.822346      4.759365 
1 1 1 9   -5  38 o 7.9609  2.5317  -5.6041   11.141    -22.4233  20.783    1.1787    13.198    7.7937  3.6975  8.1281  3.4592  -0.3343434     5.063384 
1 1 1 9   -5  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -5  40 o 29.237  2.6673  115.875   19.385    164.150   34.702    93.979    23.371    33.180  3.9845  25.294  3.5471  7.885693       5.334634 
1 1 1 9   -5  41 o 18.238  3.4403  51.316    16.105    64.367    29.247    45.636    19.293    19.457  5.4140  17.018  4.2463  2.438301       6.880587 
1 1 1 9   -5  42 o 11.236  3.1311  15.755    13.614    3.1040    26.519    20.282    15.864    10.742  4.7339  11.729  4.0995  -0.9867430     6.262242 
1 1 1 9   -5  43 f 15.964  3.6361  43.470    16.737    42.835    32.536    43.698    19.517    15.578  5.8113  16.349  4.3720  -0.7708502     7.272246 
1 1 1 9   -5  44 o 9.5699  3.0784  -8.1420   14.558    17.844    29.898    -16.2179  16.667    12.247  5.2093  6.8924  3.2819  5.355031       6.156864 
1 1 1 9   -5  45 o 12.009  5.1371  19.863    29.379    19.863    29.379    0.0000    0.0000    12.009  5.1371  ?       ?       ?              ?        
1 1 1 9   -4  0  o 477.877 12.392  30735.94  1586.21   30735.94  1586.21   0.0000    0.0000    477.877 12.392  ?       ?       ?              ?        
1 1 1 9   -4  1  o 409.068 15.172  22578.43  1662.33   0.0000    0.0000    22578.43  1662.33   ?       ?       409.068 15.172  ?              ?        
1 1 1 9   -4  2  o 221.099 8.5019  6562.30   503.491   0.0000    0.0000    6562.30   503.491   ?       ?       221.099 8.5019  ?              ?        
1 1 1 9   -4  3  o 298.935 7.5892  11990.23  607.661   0.0000    0.0000    11990.23  607.661   ?       ?       298.935 7.5892  ?              ?        
1 1 1 9   -4  4  o 688.573 25.588  64846.75  4719.28   0.0000    0.0000    64846.75  4719.28   ?       ?       688.573 25.588  ?              ?        
1 1 1 9   -4  5  o 120.805 3.6530  1955.32   118.202   0.0000    0.0000    1955.32   118.202   ?       ?       120.805 3.6530  ?              ?        
1 1 1 9   -4  6  o 351.798 6.5555  16620.49  617.717   16616.05  874.185   16624.92  872.985   351.750 9.2785  351.846 9.2633  -0.9539795E-01 13.11107 
1 1 1 9   -4  7  o 378.595 7.0386  19258.72  713.651   18885.96  1009.63   19630.94  1008.89   374.922 10.054  382.269 9.8533  -7.347412      14.07720 
1 1 1 9   -4  8  o 232.984 4.4698  7280.34   278.867   7113.47   394.942   7446.26   393.815   230.317 6.4020  235.651 6.2393  -5.333649      8.939515 
1 1 1 9   -4  9  o 118.878 2.5821  1893.27   82.174    1978.65   116.982   1810.10   115.457   121.524 3.5939  116.231 3.7086  5.292831       5.164267 
1 1 1 9   -4  10 o 159.707 3.2315  3418.11   138.210   3507.46   196.388   3330.43   194.541   161.776 4.5322  157.638 4.6074  4.137512       6.462951 
1 1 1 9   -4  11 o 369.676 6.8908  18367.78  682.282   18202.36  965.751   18532.60  964.035   368.007 9.7976  371.345 9.6923  -3.337555      13.78164 
1 1 1 9   -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -4  13 o 113.576 2.5411  1728.91   77.281    1716.65   110.354   1740.71   108.260   113.179 3.6403  113.972 3.5463  -0.7924500     5.082123 
1 1 1 9   -4  14 o 124.525 2.6872  2078.07   89.617    2112.97   127.961   2044.48   125.549   125.551 3.8051  123.499 3.7954  2.051239       5.374405 
1 1 1 9   -4  15 f 291.480 5.4862  11433.86  428.310   11539.03  607.173   11329.68  604.280   292.817 7.7415  290.143 7.7757  2.674561       10.97234 
1 1 1 9   -4  16 o 128.163 2.7808  2206.23   95.337    2107.89   136.085   2301.02   133.604   125.348 4.0532  130.978 3.8083  -5.629631      5.561645 
1 1 1 9   -4  17 o 237.314 4.6478  7595.80   294.918   7108.55   418.228   8077.72   415.934   229.687 6.7981  244.941 6.3398  -15.25465      9.295548 
1 1 1 9   -4  18 o 42.046  2.1318  257.711   21.390    138.582   31.090    364.779   29.474    31.920  3.7053  52.171  2.1092  -20.25129      4.263543 
1 1 1 9   -4  19 o 78.632  2.0876  827.279   43.892    898.013   63.722    763.423   60.545    81.824  2.9075  75.440  2.9963  6.384010       4.175102 
1 1 1 9   -4  20 o 173.237 3.5727  4046.34   165.486   3812.78   235.786   4273.08   232.318   168.270 5.2314  178.203 4.8672  -9.932953      7.145450 
1 1 1 9   -4  21 o 239.650 4.5951  7767.08   294.278   8440.84   419.008   7111.26   413.394   249.992 6.2576  229.309 6.7306  20.68364       9.190126 
1 1 1 9   -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -4  23 o 134.592 2.9317  2436.48   105.627   2425.79   151.831   2446.50   147.041   134.296 4.2209  134.888 4.0698  -0.5924683     5.863438 
1 1 1 9   -4  24 o 93.934  2.4157  1192.37   60.410    1090.62   87.800    1283.85   83.247    90.086  3.6387  97.781  3.1785  -7.695282      4.831486 
1 1 1 9   -4  25 o 65.716  2.0483  573.707   35.626    701.534   53.356    470.869   47.857    72.295  2.7554  59.138  3.0315  13.15704       4.096594 
1 1 1 9   -4  26 o 55.790  2.1905  435.303   31.320    322.891   46.588    528.008   42.308    48.861  3.5848  62.719  2.5184  -13.85852      4.380992 
1 1 1 9   -4  27 o 125.953 2.7859  2133.68   93.798    2332.58   136.282   1954.66   129.294   131.531 3.8683  120.375 4.0101  11.15591       5.571773 
1 1 1 9   -4  28 o 19.842  2.8889  57.492    14.527    44.169    23.041    66.283    18.715    17.742  4.7528  21.942  3.2855  -4.199722      5.777884 
1 1 1 9   -4  29 o 32.451  2.2524  149.810   18.329    114.957   28.279    175.060   24.070    28.917  3.7387  35.985  2.5131  -7.067677      4.504796 
1 1 1 9   -4  30 o 65.498  2.0898  571.258   36.398    670.120   55.181    495.112   48.428    70.450  2.9243  60.546  2.9863  9.904648       4.179594 
1 1 1 9   -4  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -4  32 o 43.133  2.0868  251.936   23.649    263.760   36.876    243.676   30.821    43.937  3.1544  42.329  2.7330  1.608109       4.173691 
1 1 1 9   -4  33 o 32.321  2.2080  142.881   18.508    147.521   29.352    139.819   23.846    32.680  3.4032  31.963  2.8141  0.7174187      4.416029 
1 1 1 9   -4  34 o 10.598  2.8463  10.279    10.733    16.540    18.297    6.9937    13.253    11.953  4.3759  9.2434  3.6411  2.709539       5.692668 
1 1 1 9   -4  35 o 20.904  2.8244  63.853    14.691    57.718    24.120    67.472    18.524    19.868  4.6199  21.940  3.2505  -2.071722      5.648834 
1 1 1 9   -4  36 o 40.737  2.3796  236.120   24.684    210.776   39.516    252.337   31.610    38.642  3.8699  42.831  2.7702  -4.188812      4.759192 
1 1 1 9   -4  37 f 31.623  2.4401  136.268   19.655    160.735   33.218    123.087   24.381    33.604  3.7548  29.643  3.1175  3.960632       4.880297 
1 1 1 9   -4  38 o 15.852  3.0172  41.355    15.036    6.6926    25.954    58.865    18.447    11.555  4.8812  20.148  3.5478  -8.592624      6.034318 
1 1 1 9   -4  39 o 11.756  3.2215  13.888    13.367    23.908    24.894    9.8291    15.844    13.458  5.0708  10.054  3.9747  3.403817       6.442944 
1 1 1 9   -4  40 o 10.605  3.0535  10.731    12.927    3.7385    24.705    13.368    15.170    10.738  4.6530  10.473  3.9554  0.2651405      6.107032 
1 1 1 9   -4  41 o 10.256  3.0552  4.7170    12.759    17.879    25.024    0.0928    14.832    12.290  4.9491  8.2219  3.5838  4.068027       6.110397 
1 1 1 9   -4  42 o 41.915  2.6824  262.449   28.382    276.675   48.099    254.849   35.155    42.063  4.3311  41.767  3.1660  0.2957802      5.364868 
1 1 1 9   -4  43 o 17.040  3.7419  44.452    17.682    74.528    33.031    32.371    20.935    20.061  5.8116  14.019  4.7153  6.042488       7.483895 
1 1 1 9   -4  44 o 10.125  3.1920  4.0254    15.676    3.5517    31.380    4.1828    18.095    11.045  4.9873  9.2047  3.9854  1.840127       6.384067 
1 1 1 9   -4  45 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -3  3  f 210.247 8.0741  5932.45   454.687   0.0000    0.0000    5932.45   454.687   ?       ?       210.247 8.0741  ?              ?        
1 1 1 9   -3  4  o 212.246 5.8062  6039.60   330.080   0.0000    0.0000    6039.60   330.080   ?       ?       212.246 5.8062  ?              ?        
1 1 1 9   -3  5  o 292.884 7.8189  11510.67  613.385   0.0000    0.0000    11510.67  613.385   ?       ?       292.884 7.8189  ?              ?        
1 1 1 9   -3  6  o 235.147 5.5496  7439.60   328.887   7360.87   570.245   7478.85   402.593   234.134 9.0930  236.161 6.3646  -2.027100      11.09914 
1 1 1 9   -3  7  o 360.833 6.7121  17486.58  648.709   17549.87  918.120   17423.49  916.709   361.486 9.4824  360.180 9.5022  1.306061       13.42412 
1 1 1 9   -3  8  o 306.745 5.7822  12630.98  474.921   12277.78  672.114   12983.19  671.166   302.451 8.2966  311.038 8.0561  -8.586609      11.56436 
1 1 1 9   -3  9  o 354.119 6.6665  16860.98  631.296   15756.24  892.792   17965.70  892.782   342.472 9.7328  365.766 9.1128  -23.29419      13.33307 
1 1 1 9   -3  10 o 260.574 4.9325  9108.91   344.202   9331.98   487.929   8887.94   485.629   263.754 6.9067  257.394 7.0440  6.360016       9.865067 
1 1 1 9   -3  11 o 744.247 13.732  75240.91  2737.35   74402.49  3871.65   76078.93  3870.76   740.041 19.532  748.453 19.308  -8.412170      27.46479 
1 1 1 9   -3  12 o 464.931 12.165  29333.20  1513.31   30954.59  2144.69   27725.46  2135.64   477.883 16.755  451.978 17.641  25.90533       24.32985 
1 1 1 9   -3  13 o 89.437  2.4764  1109.87   55.022    1183.47   67.640    965.907   94.599    93.987  2.6869  84.887  4.1606  9.099861       4.952749 
1 1 1 9   -3  14 o 226.978 4.3672  6916.84   265.491   7027.87   376.917   6807.51   374.021   228.788 6.1507  225.168 6.2016  3.620041       8.734426 
1 1 1 9   -3  15 o 199.939 3.8982  5382.20   207.471   6129.44   295.588   4656.59   291.276   213.686 5.1644  186.191 5.8406  27.49480       7.796374 
1 1 1 9   -3  16 o 179.788 3.5868  4340.94   172.715   4391.58   245.960   4291.67   242.587   180.822 5.0784  178.755 5.0667  2.067581       7.173611 
1 1 1 9   -3  17 o 114.743 2.5622  1764.81   78.567    1935.36   113.000   1605.20   109.313   120.111 3.5124  109.375 3.7314  10.73577       5.124474 
1 1 1 9   -3  18 o 113.398 2.5455  1724.30   77.032    1933.69   110.988   1529.69   107.001   120.044 3.4518  106.752 3.7422  13.29233       5.091060 
1 1 1 9   -3  19 o 117.804 2.6523  1864.44   83.623    1832.22   120.047   1894.81   116.550   116.808 3.8370  118.800 3.6627  -1.992691      5.304552 
1 1 1 9   -3  20 o 163.579 3.3815  3604.39   147.982   3454.17   211.248   3749.13   207.363   160.206 4.9229  166.952 4.6371  -6.746109      6.763003 
1 1 1 9   -3  21 o 41.867  2.8166  237.212   31.151    245.052   45.681    230.398   42.588    42.508  4.0616  41.226  3.9033  1.281460       5.633182 
1 1 1 9   -3  22 o 174.635 3.5829  4109.71   167.528   4059.74   239.411   4157.64   234.506   173.578 5.1494  175.693 4.9832  -2.114380      7.165847 
1 1 1 9   -3  23 o 141.340 3.0950  2694.86   116.860   2530.04   167.720   2850.37   162.914   137.100 4.5673  145.581 4.1780  -8.480408      6.189951 
1 1 1 9   -3  24 o 82.224  2.2556  908.646   49.529    897.529   72.666    918.292   67.687    81.744  3.3188  82.703  3.0556  -0.9585495     4.511232 
1 1 1 9   -3  25 o 24.463  2.7799  97.935    15.700    35.424    24.082    144.148   20.706    16.234  5.0243  32.693  2.3809  -16.45899      5.559867 
1 1 1 9   -3  26 o 49.571  2.0835  336.327   27.049    294.429   40.682    369.523   36.212    46.680  3.2745  52.462  2.5770  -5.782261      4.166952 
1 1 1 9   -3  27 o 126.424 2.8256  2152.56   95.582    2271.49   138.930   2045.69   131.706   129.732 3.9981  123.117 3.9939  6.615891       5.651244 
1 1 1 9   -3  28 o 15.031  2.9477  29.949    12.043    39.142    19.742    24.500    15.199    16.694  4.3656  13.368  3.9621  3.326094       5.895492 
1 1 1 9   -3  29 o 63.229  2.0776  532.596   34.970    605.604   53.047    476.481   46.507    67.013  2.9554  59.446  2.9209  7.567059       4.155210 
1 1 1 9   -3  30 o 79.366  5.1003  869.579   107.847   869.579   107.847   0.0000    0.0000    79.366  5.1003  ?       ?       ?              ?        
1 1 1 9   -3  31 o 39.904  2.0861  213.477   21.839    236.741   34.422    197.803   28.254    41.669  3.1065  38.138  2.7851  3.530483       4.172195 
1 1 1 9   -3  32 o 35.907  2.1395  175.319   20.038    182.257   31.603    170.655   25.912    36.437  3.2730  35.377  2.7563  1.060059       4.279007 
1 1 1 9   -3  33 o 43.902  2.1006  256.207   24.195    311.594   38.352    219.590   31.183    47.736  3.0150  40.068  2.9258  7.668430       4.201270 
1 1 1 9   -3  34 o 34.984  2.2103  160.482   19.973    213.216   32.795    129.390   25.182    39.359  3.1368  30.609  3.1149  8.749908       4.420624 
1 1 1 9   -3  35 o 30.353  2.3623  125.841   18.371    139.203   30.228    118.015   23.133    31.506  3.6496  29.199  3.0005  2.306660       4.724672 
1 1 1 9   -3  36 o 14.283  3.0103  22.232    12.496    50.781    22.644    9.7316    14.984    18.513  4.5894  10.053  3.8969  8.459848       6.020674 
1 1 1 9   -3  37 o 16.825  3.2067  41.566    14.002    43.707    25.328    40.624    16.803    17.015  5.1309  16.635  3.8477  0.3799973      6.413376 
1 1 1 9   -3  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -3  39 o 32.580  2.5879  149.014   21.366    176.766   36.466    134.505   26.365    34.559  4.0142  30.601  3.2672  3.957399       5.175766 
1 1 1 9   -3  40 o 41.800  2.4849  247.693   26.602    286.587   44.932    226.701   33.010    43.899  3.8606  39.701  3.1296  4.198433       4.969769 
1 1 1 9   -3  41 o 40.627  2.6350  241.095   27.090    266.601   46.276    227.797   33.414    41.666  4.2040  39.589  3.1779  2.076824       5.269983 
1 1 1 9   -3  42 o 20.691  3.5193  69.702    17.823    76.375    33.814    67.135    20.974    20.550  5.8579  20.833  3.9021  -0.2824631     7.038614 
1 1 1 9   -3  43 o 14.455  3.5151  23.316    16.244    67.498    31.071    6.6972    19.056    19.110  5.6650  9.7993  4.1632  9.310703       7.030295 
1 1 1 9   -3  44 o 10.485  3.2297  9.0543    15.970    0.0191    31.552    12.166    18.517    10.699  4.8971  10.271  4.2121  0.4283323      6.459329 
1 1 1 9   -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -2  3  o 376.666 9.8588  19060.04  994.650   0.0000    0.0000    19060.04  994.650   ?       ?       376.666 9.8588  ?              ?        
1 1 1 9   -2  4  o 246.710 6.6417  8162.89   438.891   0.0000    0.0000    8162.89   438.891   ?       ?       246.710 6.6417  ?              ?        
1 1 1 9   -2  5  o 219.571 5.9562  6463.90   350.295   0.0000    0.0000    6463.90   350.295   ?       ?       219.571 5.9562  ?              ?        
1 1 1 9   -2  6  f 175.704 4.9259  4137.66   231.825   0.0000    0.0000    4137.66   231.825   ?       ?       175.704 4.9259  ?              ?        
1 1 1 9   -2  7  o 276.817 5.2320  10279.83  387.922   10213.50  548.131   10346.37  549.079   275.922 7.4167  277.713 7.3816  -1.791199      10.46399 
1 1 1 9   -2  8  o 154.218 3.1682  3187.18   130.858   3132.81   184.655   3242.04   185.471   152.896 4.5090  155.540 4.4519  -2.643951      6.336391 
1 1 1 9   -2  9  o 300.136 5.6236  12091.42  451.926   11707.17  638.430   12477.34  639.811   295.347 8.0703  304.926 7.8337  -9.578949      11.24712 
1 1 1 9   -2  10 o 629.420 11.713  53568.20  1974.58   53194.21  2791.84   53942.53  2793.12   627.202 16.619  631.638 16.509  -4.435913      23.42520 
1 1 1 9   -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -2  12 o 158.234 3.1954  3356.30   135.428   3361.85   191.230   3350.71   191.821   158.365 4.5082  158.102 4.5297  0.2633057      6.390800 
1 1 1 9   -2  13 o 371.581 6.9574  18592.72  692.438   18706.87  979.040   18478.48  979.471   372.729 9.8066  370.433 9.8717  2.295685       13.91475 
1 1 1 9   -2  14 o 316.167 5.9432  13457.54  503.258   13647.50  711.560   13267.42  711.870   318.412 8.3432  313.923 8.4662  4.488861       11.88637 
1 1 1 9   -2  15 o 318.494 6.0769  13682.65  518.321   13967.05  732.960   13398.17  733.074   321.829 8.5029  315.160 8.6842  6.668945       12.15376 
1 1 1 9   -2  16 o 175.915 3.5500  4157.12   167.271   4137.10   236.243   4177.23   236.872   175.490 5.0260  176.340 5.0150  -0.8502350     7.100043 
1 1 1 9   -2  17 o 188.357 3.7470  4770.96   189.040   4748.83   267.052   4793.18   267.634   187.918 5.3057  188.795 5.2925  -0.8774414     7.494041 
1 1 1 9   -2  18 o 98.979  2.3492  1314.44   62.279    1298.66   87.813    1330.41   88.340    98.381  3.3324  99.577  3.3121  -1.196541      4.698449 
1 1 1 9   -2  19 o 56.369  1.8205  426.108   27.468    406.335   38.653    446.280   39.042    55.047  2.6216  57.692  2.5265  -2.644989      3.640903 
1 1 1 9   -2  20 o 181.135 3.6410  4418.02   176.647   4435.00   249.628   4400.99   250.007   181.486 5.1353  180.783 5.1630  0.7025909      7.282005 
1 1 1 9   -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -2  22 o 205.972 4.1013  5725.69   226.267   5706.32   319.747   5745.12   320.232   205.621 5.8056  206.322 5.7947  -0.7009430     8.202662 
1 1 1 9   -2  23 o 142.186 2.9751  2719.78   113.280   2784.35   160.087   2655.01   160.318   143.884 4.1539  140.487 4.2604  3.397156       5.950298 
1 1 1 9   -2  24 o 196.432 3.8869  5210.94   204.496   5266.04   289.075   5155.74   289.328   197.481 5.4651  195.383 5.5286  2.097931       7.773831 
1 1 1 9   -2  25 f 181.891 3.6859  4470.44   179.573   4438.69   253.811   4502.27   254.097   181.240 5.2284  182.543 5.1969  -1.303116      7.371846 
1 1 1 9   -2  26 o 137.331 2.9442  2543.99   108.298   2557.49   153.117   2530.48   153.197   137.698 4.1515  136.964 4.1760  0.7347565      5.888440 
1 1 1 9   -2  27 o 74.351  2.1043  743.761   41.899    723.922   59.008    763.933   59.503    73.348  3.0035  75.354  2.9481  -2.006218      4.208629 
1 1 1 9   -2  28 o 90.011  2.2607  1092.58   54.501    1078.01   76.985    1107.22   77.169    89.406  3.2148  90.616  3.1794  -1.210144      4.521440 
1 1 1 9   -2  29 f 52.550  2.1644  380.913   29.681    328.712   44.891    421.453   39.561    49.173  3.4298  55.927  2.6410  -6.753399      4.328791 
1 1 1 9   -2  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -2  31 o 27.657  2.4494  110.345   16.640    89.148    26.814    123.620   21.220    25.197  4.1151  30.118  2.6577  -4.920910      4.898707 
1 1 1 9   -2  32 f 14.770  2.7143  34.039    11.794    9.9967    20.086    46.688    14.570    11.256  4.4671  18.285  3.0846  -7.029194      5.428619 
1 1 1 9   -2  33 o 52.497  2.1411  371.469   29.620    411.570   46.391    343.871   38.485    54.808  3.1737  50.186  2.8750  4.621647       4.282252 
1 1 1 9   -2  34 o 10.886  2.9321  12.010    11.145    12.168    20.302    11.942    13.333    11.550  4.5197  10.221  3.7365  1.329062       5.864264 
1 1 1 9   -2  35 o 44.388  2.3965  280.425   27.109    245.774   43.218    302.902   34.807    41.800  3.9054  46.977  2.7786  -5.177647      4.793022 
1 1 1 9   -2  36 o 28.037  2.5074  104.063   17.717    140.271   30.561    85.735    21.744    31.452  3.6984  24.621  3.3868  6.830193       5.014860 
1 1 1 9   -2  37 o 11.027  3.0391  6.6704    12.109    26.330    23.209    -0.6818   14.193    13.913  4.9500  8.1416  3.5274  5.770988       6.078245 
1 1 1 9   -2  38 o 13.647  3.3275  26.493    14.103    24.495    25.784    27.346    16.847    13.700  5.1609  13.593  4.2015  0.1066113      6.654939 
1 1 1 9   -2  39 o 36.435  2.7416  202.003   24.407    174.485   40.758    217.389   30.476    33.710  4.6367  39.160  2.9267  -5.450092      5.483116 
1 1 1 9   -2  40 o 11.843  3.1695  18.701    13.619    8.7080    25.263    22.795    16.170    11.299  4.7966  12.387  4.1442  -1.087859      6.338937 
1 1 1 9   -2  41 o 20.204  3.4653  71.729    17.921    54.010    33.145    79.049    21.303    17.457  5.9329  22.951  3.5824  -5.494545      6.930613 
1 1 1 9   -2  42 o 10.405  3.0962  8.6220    14.655    -6.8351   27.125    14.994    17.416    9.9394  4.5460  10.871  4.2048  -0.9313946     6.192482 
1 1 1 9   -2  43 o 17.465  3.7478  57.369    19.111    45.844    35.563    62.048    22.661    15.616  6.0175  19.313  4.4692  -3.697425      7.495572 
1 1 1 9   -2  44 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -1  0  o 478.681 12.531  30840.91  1606.68   30840.91  1606.68   0.0000    0.0000    478.681 12.531  ?       ?       ?              ?        
1 1 1 9   -1  1  o 88.970  2.9343  1060.39   69.927    1060.39   69.927    0.0000    0.0000    88.970  2.9343  ?       ?       ?              ?        
1 1 1 9   -1  2  o 657.285 17.026  58392.50  2997.50   58392.50  2997.50   0.0000    0.0000    657.285 17.026  ?       ?       ?              ?        
1 1 1 9   -1  3  o 383.312 10.056  19740.07  1032.48   0.0000    0.0000    19740.07  1032.48   ?       ?       383.312 10.056  ?              ?        
1 1 1 9   -1  4  o 222.087 5.9844  6612.90   355.987   0.0000    0.0000    6612.90   355.987   ?       ?       222.087 5.9844  ?              ?        
1 1 1 9   -1  5  o 345.048 9.0556  15985.43  836.925   0.0000    0.0000    15985.43  836.925   ?       ?       345.048 9.0556  ?              ?        
1 1 1 9   -1  6  o 319.753 8.3932  13722.37  718.841   0.0000    0.0000    13722.37  718.841   ?       ?       319.753 8.3932  ?              ?        
1 1 1 9   -1  7  o 337.786 6.3285  15319.34  572.512   15056.73  809.238   15582.50  810.071   334.881 9.0219  340.691 8.8771  -5.810303      12.65693 
1 1 1 9   -1  8  o 523.034 9.6624  36855.70  1353.52   36286.67  1913.51   37425.52  1914.83   518.970 13.766  527.097 13.563  -8.127197      19.32475 
1 1 1 9   -1  9  o 324.352 6.0520  14125.08  525.713   14387.43  743.453   13862.70  743.490   327.372 8.4786  321.332 8.6384  6.040009       12.10404 
1 1 1 9   -1  10 o 324.097 12.112  14142.29  1051.39   14142.29  1051.39   0.0000    0.0000    324.097 12.112  ?       ?       ?              ?        
1 1 1 9   -1  11 o 454.286 8.4211  27800.73  1024.67   27870.55  1448.91   27730.86  1449.30   454.861 11.893  453.712 11.926  1.148712       16.84216 
1 1 1 9   -1  12 o 311.544 5.8154  13042.31  485.276   12986.91  686.005   13097.81  686.565   310.880 8.2384  312.208 8.2101  -1.328094      11.63089 
1 1 1 9   -1  13 o 317.282 5.9404  13542.48  504.833   13506.31  713.680   13578.71  714.203   316.857 8.4091  317.707 8.3928  -0.8509216     11.88076 
1 1 1 9   -1  14 o 124.151 2.7461  2067.26   91.297    2116.21   128.930   2018.03   129.297   125.628 3.8316  122.675 3.9350  2.952866       5.492286 
1 1 1 9   -1  15 o 192.716 3.7463  4988.90   193.374   5013.49   273.263   4964.25   273.682   193.194 5.2808  192.239 5.3152  0.9548798      7.492505 
1 1 1 9   -1  16 o 118.203 2.6106  1874.84   82.636    1911.87   116.683   1837.59   117.049   119.376 3.6492  117.029 3.7341  2.346916       5.221116 
1 1 1 9   -1  17 o 127.885 2.7742  2195.62   95.022    2211.67   134.175   2179.48   134.590   128.355 3.9027  127.414 3.9437  0.9408188      5.548336 
1 1 1 9   -1  18 o 166.980 3.3861  3749.43   151.433   3798.00   213.981   3700.69   214.335   168.068 4.7534  165.891 4.8237  2.176834       6.772196 
1 1 1 9   -1  19 o 77.024  2.0301  795.767   41.881    791.011   59.026    800.589   59.433    76.792  2.8697  77.255  2.8722  -0.4634247     4.060143 
1 1 1 9   -1  20 o 29.967  3.4103  122.110   26.885    122.110   26.885    0.0000    0.0000    29.967  3.4103  ?       ?       ?              ?        
1 1 1 9   -1  21 o 106.014 2.4393  1509.09   69.258    1477.56   97.644    1541.01   98.250    104.897 3.4753  107.130 3.4240  -2.232964      4.878665 
1 1 1 9   -1  22 o 44.236  1.9019  263.794   22.387    281.158   31.627    246.359   31.693    45.710  2.5939  42.761  2.7822  2.948586       3.803787 
1 1 1 9   -1  23 o 171.901 3.4979  3982.11   161.052   3997.42   227.512   3966.73   228.012   172.236 4.9317  171.567 4.9618  0.6688080      6.995737 
1 1 1 9   -1  24 o 212.337 4.1554  6099.52   236.333   6118.40   334.028   6080.60   334.425   212.671 5.8639  212.003 5.8893  0.6670990      8.310806 
1 1 1 9   -1  25 o 75.746  2.1143  771.211   42.874    796.671   60.464    745.463   60.804    77.009  2.9313  74.483  3.0478  2.525345       4.228681 
1 1 1 9   -1  26 o 72.349  2.0612  703.786   39.919    671.365   56.167    736.878   56.745    70.660  2.9677  74.038  2.8614  -3.377838      4.122480 
1 1 1 9   -1  27 f 80.994  2.1906  883.432   47.511    856.888   66.887    910.463   67.499    79.761  3.1309  82.227  3.0647  -2.465401      4.381201 
1 1 1 9   -1  28 f 99.360  2.3906  1333.53   63.620    1325.11   89.779    1342.03   90.168    99.044  3.3842  99.676  3.3773  -0.6320343     4.781111 
1 1 1 9   -1  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -1  30 o 82.992  2.2151  933.799   49.235    949.217   69.551    918.312   69.706    83.689  3.1027  82.296  3.1623  1.392540       4.430244 
1 1 1 9   -1  31 o 55.507  1.9528  418.040   28.975    427.063   40.870    408.923   41.083    56.155  2.7173  54.860  2.8053  1.294525       3.905509 
1 1 1 9   -1  32 o 50.847  1.9588  352.078   26.528    325.448   37.222    379.568   37.818    48.861  2.8565  52.833  2.6812  -3.972389      3.917696 
1 1 1 9   -1  33 o 20.928  2.3187  61.317    12.564    61.846    17.530    60.758    18.016    21.040  3.2125  20.816  3.3444  0.2239342      4.637357 
1 1 1 9   -1  34 o 29.136  2.5939  124.931   18.367    99.211    29.909    140.502   23.271    26.289  4.4033  31.983  2.7431  -5.693838      5.187820 
1 1 1 9   -1  35 o 58.793  2.2744  472.576   35.138    512.727   55.532    445.764   45.378    60.725  3.4282  56.862  2.9900  3.863277       4.548879 
1 1 1 9   -1  36 o 12.484  2.7678  21.006    12.646    -10.7501  21.844    37.015    15.510    9.0383  4.1128  15.930  3.7049  -6.891843      5.535503 
1 1 1 9   -1  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   -1  38 o 15.195  3.1091  38.020    14.750    11.073    26.230    50.482    17.838    11.952  4.9680  18.438  3.7397  -6.486094      6.218220 
1 1 1 9   -1  39 o 9.0829  2.7957  -2.2742   11.419    11.179    22.028    -7.2181   13.354    11.195  4.5929  6.9709  3.1889  4.223888       5.591362 
1 1 1 9   -1  40 f 22.594  3.3369  82.932    18.222    77.140    32.860    85.503    21.897    21.178  5.6771  24.009  3.5086  -2.831093      6.673793 
1 1 1 9   -1  41 o 12.917  3.3272  25.115    15.481    9.0796    27.759    32.354    18.651    11.567  4.9720  14.267  4.4226  -2.699882      6.654397 
1 1 1 9   -1  42 o 16.240  3.7740  42.932    17.582    56.491    33.176    37.636    20.733    17.430  5.9356  15.051  4.6625  2.378755       7.547908 
1 1 1 9   -1  43 o 12.545  3.5467  21.016    16.531    35.038    31.118    15.503    19.511    14.144  5.5769  10.946  4.3834  3.197664       7.093376 
1 1 1 9   0   0  o 237.517 6.4870  7565.25   412.693   7565.25   412.693   0.0000    0.0000    237.517 6.4870  ?       ?       ?              ?        
1 1 1 9   0   1  o 548.340 14.317  40526.80  2102.72   40526.80  2102.72   0.0000    0.0000    548.340 14.317  ?       ?       ?              ?        
1 1 1 9   0   2  o 288.971 7.6638  11203.71  593.182   11203.71  593.182   0.0000    0.0000    288.971 7.6638  ?       ?       ?              ?        
1 1 1 9   0   3  o 364.017 9.5478  17796.11  930.920   0.0000    0.0000    17796.11  930.920   ?       ?       364.017 9.5478  ?              ?        
1 1 1 9   0   4  o 890.566 23.235  107980.20 5542.48   0.0000    0.0000    107980.20 5542.48   ?       ?       890.566 23.235  ?              ?        
1 1 1 9   0   5  f 169.868 4.7782  3867.10   217.402   0.0000    0.0000    3867.10   217.402   ?       ?       169.868 4.7782  ?              ?        
1 1 1 9   0   6  o 295.681 7.8431  11730.49  621.159   0.0000    0.0000    11730.49  621.159   ?       ?       295.681 7.8431  ?              ?        
1 1 1 9   0   7  o 344.221 7.8068  15856.88  680.256   16146.72  1177.28   15711.61  833.479   346.363 12.690  342.078 9.0966  4.285583       15.61353 
1 1 1 9   0   8  o 495.780 9.1637  33097.48  1216.84   32783.00  1720.46   33412.25  1721.29   493.412 13.018  498.149 12.900  -4.737305      18.32736 
1 1 1 9   0   9  o 210.303 4.0881  5930.02   230.278   5933.38   325.491   5926.65   325.833   210.363 5.7767  210.244 5.7861  0.1196289      8.176116 
1 1 1 9   0   10 o 231.492 8.8576  7198.62   549.215   0.0000    0.0000    7198.62   549.215   ?       ?       231.492 8.8576  ?              ?        
1 1 1 9   0   11 o 235.671 4.5585  7453.57   287.677   7648.87   406.838   7258.28   406.837   238.765 6.3615  232.577 6.5308  6.187729       9.117021 
1 1 1 9   0   12 f 111.340 2.5138  1661.98   74.908    1582.14   105.690   1742.56   106.183   108.650 3.6317  114.029 3.4766  -5.378929      5.027533 
1 1 1 9   0   13 o 145.623 3.0358  2844.07   118.398   2883.60   167.280   2804.40   167.602   146.638 4.2590  144.607 4.3271  2.030869       6.071501 
1 1 1 9   0   14 o 60.955  1.8567  497.920   30.309    485.185   42.722    510.824   43.006    60.170  2.6509  61.740  2.6006  -1.570084      3.713496 
1 1 1 9   0   15 o 180.825 3.6211  4393.08   175.373   4442.26   247.849   4343.76   248.181   181.843 5.0887  179.808 5.1531  2.034485       7.242168 
1 1 1 9   0   16 o 30.630  1.7231  126.548   14.020    125.973   19.783    127.129   19.871    30.560  2.4372  30.700  2.4365  -0.1409550     3.446165 
1 1 1 9   0   17 o 232.483 4.5216  7287.97   281.525   7417.66   398.034   7158.15   398.238   234.567 6.3353  230.398 6.4532  4.168396       9.043183 
1 1 1 9   0   18 o 179.200 3.6251  4321.90   173.968   4409.51   245.923   4234.14   246.134   181.027 5.0718  177.373 5.1808  3.654358       7.250111 
1 1 1 9   0   19 o 119.729 2.6632  1925.37   85.399    1951.15   120.641   1899.47   120.904   120.535 3.7367  118.923 3.7956  1.612289       5.326355 
1 1 1 9   0   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   0   21 o 108.764 2.5187  1588.70   73.374    1578.66   103.574   1598.81   103.961   108.419 3.5666  109.109 3.5573  -0.6905975     5.037380 
1 1 1 9   0   22 o 194.340 3.8343  5093.60   199.565   4991.11   281.877   5196.61   282.578   192.367 5.4707  196.312 5.3741  -3.944458      7.668681 
1 1 1 9   0   23 o 190.663 3.7866  4905.98   193.365   4843.55   273.184   4968.65   273.736   189.439 5.3839  191.886 5.3260  -2.446747      7.573132 
1 1 1 9   0   24 o 189.057 3.8463  4832.11   194.771   4824.08   275.234   4840.16   275.661   188.900 5.4398  189.215 5.4391  -0.3147583     7.692566 
1 1 1 9   0   25 o 41.976  1.8577  237.536   20.780    236.222   29.198    238.885   29.581    41.859  2.6173  42.093  2.6370  -0.2340813     3.715400 
1 1 1 9   0   26 o 118.835 2.6886  1905.33   85.559    1856.05   120.697   1955.10   121.303   117.281 3.8422  120.388 3.7618  -3.107491      5.377149 
1 1 1 9   0   27 o 76.743  2.1316  793.422   43.814    783.873   61.771    803.090   62.156    76.277  3.0235  77.209  3.0056  -0.9320068     4.263192 
1 1 1 9   0   28 o 63.303  2.0090  540.516   34.054    551.670   47.936    529.152   48.386    63.969  2.7977  62.637  2.8841  1.332150       4.018075 
1 1 1 9   0   29 o 53.936  3.7140  397.270   53.328    0.0000    0.0000    397.270   53.328    ?       ?       53.936  3.7140  ?              ?        
1 1 1 9   0   30 o 34.351  1.9411  160.594   17.709    157.823   24.811    163.471   25.284    34.047  2.7440  34.654  2.7464  -0.6071205     3.882297 
1 1 1 9   0   31 o 65.226  2.0464  577.587   35.726    549.462   50.247    606.342   50.807    63.603  2.9495  66.849  2.8375  -3.245918      4.092784 
1 1 1 9   0   32 o 25.414  2.1064  89.136    14.052    92.786    19.824    85.451    19.922    25.963  2.9002  24.865  3.0556  1.097696       4.212806 
1 1 1 9   0   33 o 14.553  2.6174  30.370    10.572    19.533    14.998    41.072    14.904    12.091  3.9892  17.014  3.3895  -4.923848      5.234704 
1 1 1 9   0   34 o 51.880  2.0418  369.550   28.258    363.096   39.893    376.049   40.031    51.415  2.9088  52.345  2.8661  -0.9305878     4.083546 
1 1 1 9   0   35 o 73.515  2.2135  746.999   43.583    738.091   61.604    755.925   61.666    73.064  3.1479  73.967  3.1126  -0.9033203     4.426907 
1 1 1 9   0   36 f 42.340  2.9112  249.274   32.814    249.274   32.814    0.0000    0.0000    42.340  2.9112  ?       ?       ?              ?        
1 1 1 9   0   37 o 50.807  2.4395  364.927   31.965    376.763   52.290    357.865   40.391    51.101  3.8486  50.513  2.9988  0.5888252      4.878966 
1 1 1 9   0   38 o 14.262  2.9513  32.636    15.034    -11.6176  27.577    51.350    17.933    9.9691  4.5685  18.555  3.7375  -8.585673      5.902558 
1 1 1 9   0   39 o 30.122  3.1274  145.997   22.048    118.299   37.845    160.230   27.128    26.829  5.4522  33.414  3.0653  -6.584719      6.254753 
1 1 1 9   0   40 o 10.802  3.0476  12.059    13.935    -13.9276  27.715    20.850    16.120    9.6484  4.4779  11.955  4.1352  -2.306265      6.095138 
1 1 1 9   0   41 o 23.756  3.4025  81.755    19.701    127.610   36.408    62.768    23.428    27.800  5.0764  19.712  4.5320  8.088079       6.805067 
1 1 1 9   0   42 o 23.354  3.6333  101.739   21.170    74.348    37.781    114.275   25.560    19.323  6.3294  27.385  3.5696  -8.061777      7.266541 
1 1 1 9   0   43 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   1   0  o 296.465 7.8901  11793.30  626.533   11793.30  626.533   0.0000    0.0000    296.465 7.8901  ?       ?       ?              ?        
1 1 1 9   1   1  f 308.976 8.1663  12811.32  675.832   12811.32  675.832   0.0000    0.0000    308.976 8.1663  ?       ?       ?              ?        
1 1 1 9   1   2  o 275.482 7.3380  10180.22  541.451   10180.22  541.451   0.0000    0.0000    275.482 7.3380  ?       ?       ?              ?        
1 1 1 9   1   3  o 205.345 8.0384  5658.14   442.124   5658.14   442.124   0.0000    0.0000    205.345 8.0384  ?       ?       ?              ?        
1 1 1 9   1   4  o 257.388 6.8873  8884.87   474.817   0.0000    0.0000    8884.87   474.817   ?       ?       257.388 6.8873  ?              ?        
1 1 1 9   1   5  o 532.583 13.883  38205.85  1980.44   0.0000    0.0000    38205.85  1980.44   ?       ?       532.583 13.883  ?              ?        
1 1 1 9   1   6  o 100.321 3.3125  1348.31   89.009    0.0000    0.0000    1348.31   89.009    ?       ?       100.321 3.3125  ?              ?        
1 1 1 9   1   7  o 465.755 12.077  29185.77  1506.66   0.0000    0.0000    29185.77  1506.66   ?       ?       465.755 12.077  ?              ?        
1 1 1 9   1   8  o 483.629 8.8774  31490.73  1149.97   31530.48  1626.23   31450.98  1626.37   483.936 12.546  483.322 12.563  0.6139832      17.75476 
1 1 1 9   1   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   1   10 o 208.586 4.1275  5835.61   230.585   5912.50   326.042   5758.66   326.151   209.963 5.7975  207.210 5.8765  2.753677       8.254970 
1 1 1 9   1   11 o 125.300 2.7574  2104.94   92.502    2174.46   130.766   2035.31   130.869   127.373 3.8329  123.227 3.9650  4.146248       5.514729 
1 1 1 9   1   12 o 193.913 3.7634  5045.64   195.457   4981.40   276.176   5110.10   276.660   192.674 5.3515  195.152 5.2928  -2.477325      7.526737 
1 1 1 9   1   13 o 130.629 2.7939  2288.56   97.738    2234.06   138.009   2343.40   138.437   129.067 3.9921  132.191 3.9099  -3.124344      5.587840 
1 1 1 9   1   14 o 112.850 2.5042  1707.95   75.693    1712.10   106.870   1703.77   107.223   112.988 3.5313  112.712 3.5516  0.2761230      5.008415 
1 1 1 9   1   15 o 147.650 3.0600  2927.14   121.011   2959.65   170.967   2894.50   171.303   148.474 4.2990  146.826 4.3559  1.648071       6.120069 
1 1 1 9   1   16 o 75.990  2.0606  774.603   41.926    794.886   59.141    754.110   59.444    76.992  2.8678  74.988  2.9596  2.003914       4.121112 
1 1 1 9   1   17 o 116.232 2.5893  1813.56   80.598    1769.29   113.689   1858.29   114.278   114.803 3.6972  117.660 3.6261  -2.857330      5.178638 
1 1 1 9   1   18 o 167.256 3.4342  3763.45   153.832   3689.04   217.263   3838.26   217.839   165.592 4.8985  168.921 4.8146  -3.328918      6.868457 
1 1 1 9   1   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   1   20 o 26.345  2.0343  94.234    14.101    88.403    19.810    100.224   20.076    25.499  2.9553  27.191  2.7964  -1.692099      4.068576 
1 1 1 9   1   21 o 161.085 3.2937  3492.12   142.111   3498.02   200.782   3486.20   201.169   161.223 4.6495  160.947 4.6665  0.2754669      6.587414 
1 1 1 9   1   22 o 139.361 2.9990  2612.80   111.930   2556.92   158.019   2669.07   158.567   137.860 4.2794  140.862 4.2027  -3.002335      5.997996 
1 1 1 9   1   23 o 115.673 2.6080  1799.44   80.759    1724.67   113.917   1874.98   114.506   113.248 3.7555  118.098 3.6199  -4.849182      5.216081 
1 1 1 9   1   24 o 12.761  2.6368  22.172    9.7794    28.008    13.685    16.081    13.980    14.158  3.6005  11.364  3.8531  2.793782       5.273573 
1 1 1 9   1   25 o 160.241 3.3102  3473.41   142.066   3428.11   200.675   3518.93   201.150   159.185 4.7065  161.297 4.6559  -2.112122      6.620335 
1 1 1 9   1   26 o 109.007 2.5845  1603.75   75.460    1587.54   106.498   1620.09   106.937   108.452 3.6662  109.563 3.6440  -1.111267      5.169085 
1 1 1 9   1   27 f 43.415  1.9004  254.746   21.989    250.378   30.982    259.180   31.213    43.037  2.7014  43.794  2.6737  -0.7567749     3.800828 
1 1 1 9   1   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   1   29 o 20.691  2.2975  60.839    11.973    76.311    16.715    44.534    17.158    23.617  2.6903  17.764  3.7251  5.853205       4.594966 
1 1 1 9   1   30 o 62.424  2.0228  528.159   33.813    511.273   47.520    545.475   48.122    61.406  2.8892  63.442  2.8319  -2.035988      4.045628 
1 1 1 9   1   31 o 21.276  2.2633  63.220    12.447    68.062    17.374    58.115    17.841    22.179  3.0017  20.374  3.3883  1.805664       4.526618 
1 1 1 9   1   32 o 57.058  2.0337  443.925   31.020    450.263   43.675    437.472   44.066    57.518  2.8349  56.598  2.9167  0.9201012      4.067403 
1 1 1 9   1   33 o 10.048  2.6308  11.007    9.4440    13.615    13.468    8.4843    13.246    10.592  3.7705  9.5048  3.6697  1.086973       5.261525 
1 1 1 9   1   34 o 39.553  2.0264  215.680   21.233    192.289   29.690    240.171   30.379    37.294  2.9975  41.812  2.7275  -4.517742      4.052721 
1 1 1 9   1   35 o 39.014  2.0545  211.099   21.276    195.829   29.862    226.843   30.321    37.533  2.9954  40.496  2.8128  -2.963921      4.109070 
1 1 1 9   1   36 o 11.242  4.4403  12.293    19.758    0.0000    0.0000    12.293    19.758    ?       ?       11.242  4.4403  ?              ?        
1 1 1 9   1   37 o 20.169  2.6959  61.321    13.896    81.107    19.712    41.777    19.592    23.802  3.1709  16.536  4.3609  7.266308       5.391824 
1 1 1 9   1   38 o 20.201  2.7305  61.352    14.217    68.797    20.255    54.120    19.960    21.556  3.6375  18.846  4.0731  2.710623       5.460929 
1 1 1 9   1   39 o 15.767  2.7893  36.856    12.678    17.479    17.108    60.463    18.884    11.443  4.2247  20.091  3.6433  -8.647401      5.578696 
1 1 1 9   1   40 f 30.339  3.3101  154.003   23.309    118.176   39.776    172.740   28.765    26.170  5.8245  34.509  3.1466  -8.338306      6.620114 
1 1 1 9   1   41 o 8.1748  2.6731  -7.4488   12.833    -28.4349  26.467    -0.9984   14.673    8.3687  4.0247  7.9809  3.5189  0.3877959      5.346133 
1 1 1 9   1   42 o 8.3801  4.0880  -37.6445  29.915    -37.6445  29.915    0.0000    0.0000    8.3801  4.0880  ?       ?       ?              ?        
1 1 1 9   2   0  o 441.883 11.527  26254.24  1364.27   26254.24  1364.27   0.0000    0.0000    441.883 11.527  ?       ?       ?              ?        
1 1 1 9   2   1  o 167.429 4.7135  3756.72   211.378   3756.72   211.378   0.0000    0.0000    167.429 4.7135  ?       ?       ?              ?        
1 1 1 9   2   2  o 205.816 5.6019  5678.32   308.819   5678.32   308.819   0.0000    0.0000    205.816 5.6019  ?       ?       ?              ?        
1 1 1 9   2   3  o 170.722 4.8322  3906.03   220.965   3906.03   220.965   0.0000    0.0000    170.722 4.8322  ?       ?       ?              ?        
1 1 1 9   2   4  o 402.764 10.530  21796.13  1135.96   0.0000    0.0000    21796.13  1135.96   ?       ?       402.764 10.530  ?              ?        
1 1 1 9   2   5  o 317.820 8.5243  13557.25  725.654   0.0000    0.0000    13557.25  725.654   ?       ?       317.820 8.5243  ?              ?        
1 1 1 9   2   6  o 367.856 9.7045  18175.61  956.175   0.0000    0.0000    18175.61  956.175   ?       ?       367.856 9.7045  ?              ?        
1 1 1 9   2   7  o 291.585 11.020  11432.37  860.634   0.0000    0.0000    11432.37  860.634   ?       ?       291.585 11.020  ?              ?        
1 1 1 9   2   8  o ?       ?       81386.97  97565.36  0.0000    0.0000    81386.97  97565.36  ?       ?       ?       ?       ?              ?        
1 1 1 9   2   9  o 360.513 6.7224  17472.24  649.099   17674.21  918.032   17270.34  917.898   362.604 9.4523  358.422 9.5612  4.182343       13.44474 
1 1 1 9   2   10 o 301.077 5.6316  12178.79  454.149   12167.27  642.140   12190.32  642.388   300.934 7.9665  301.220 7.9621  -0.2854309     11.26320 
1 1 1 9   2   11 o 36.331  1.6959  177.581   16.406    171.696   23.042    183.632   23.365    35.717  2.4229  36.946  2.3736  -1.229736      3.391831 
1 1 1 9   2   12 o 79.938  2.0632  856.414   44.168    835.901   62.301    877.142   62.628    78.975  2.9452  80.901  2.8902  -1.925827      4.126401 
1 1 1 9   2   13 o 127.398 2.7718  2177.64   94.554    2237.94   133.638   2117.20   133.801   129.168 3.8627  125.629 3.9763  3.538795       5.543581 
1 1 1 9   2   14 o 148.209 3.0466  2948.81   120.939   2973.23   170.882   2924.30   171.185   148.825 4.2868  147.592 4.3303  1.233032       6.093241 
1 1 1 9   2   15 o 103.799 2.3865  1445.65   66.315    1387.16   93.512    1504.83   94.057    101.684 3.4334  105.915 3.3155  -4.231308      4.772917 
1 1 1 9   2   16 o 58.111  1.8547  452.863   28.862    459.549   40.621    446.046   41.016    58.545  2.5904  57.677  2.6550  0.8681831      3.709306 
1 1 1 9   2   17 o 111.634 2.5149  1673.34   75.142    1592.71   105.952   1754.93   106.586   108.922 3.6316  114.346 3.4801  -5.423698      5.029894 
1 1 1 9   2   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   2   19 o 27.247  1.9206  100.575   13.824    103.771   19.586    97.403    19.515    27.687  2.6744  26.806  2.7573  0.8808422      3.841243 
1 1 1 9   2   20 o 42.725  1.9034  246.028   21.650    255.785   30.452    236.055   30.786    43.592  2.6203  41.858  2.7614  1.733761       3.806747 
1 1 1 9   2   21 o 174.492 3.5553  4103.12   166.096   4234.53   234.779   3971.44   235.013   177.307 4.9436  171.676 5.1108  5.630035       7.110563 
1 1 1 9   2   22 o 57.277  1.9345  440.483   29.659    456.457   41.823    424.321   42.068    58.324  2.6771  56.229  2.7932  2.095394       3.869001 
1 1 1 9   2   23 o 65.796  2.0296  581.814   35.732    610.130   50.417    553.236   50.651    67.410  2.7923  64.181  2.9464  3.229156       4.059295 
1 1 1 9   2   24 o 104.422 2.4692  1467.83   69.036    1416.98   97.314    1519.34   97.951    102.594 3.5413  106.250 3.4418  -3.656403      4.938342 
1 1 1 9   2   25 o 85.316  2.2294  980.061   50.895    924.557   71.566    1036.86   72.393    82.861  3.2245  87.770  3.0794  -4.909119      4.458719 
1 1 1 9   2   26 o 52.356  1.9206  369.779   26.850    387.016   37.851    352.318   38.095    53.631  2.6349  51.081  2.7949  2.550583       3.841122 
1 1 1 9   2   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   2   28 o 27.040  2.0170  100.018   14.334    109.451   20.349    90.729    20.193    28.346  2.7134  25.734  2.9851  2.611832       4.033986 
1 1 1 9   2   29 o 38.880  1.9212  205.392   19.878    200.544   27.870    210.411   28.359    38.409  2.7268  39.351  2.7071  -0.9420090     3.842360 
1 1 1 9   2   30 o 35.561  1.9068  172.388   18.006    181.567   25.493    163.249   25.436    36.528  2.6231  34.595  2.7682  1.933384       3.813618 
1 1 1 9   2   31 o 50.331  1.9856  345.551   26.633    361.570   37.525    329.292   37.805    51.535  2.7282  49.127  2.8858  2.408672       3.971208 
1 1 1 9   2   32 o 48.406  1.9849  320.296   25.620    325.292   36.105    315.228   36.361    48.799  2.7737  48.013  2.8400  0.7858734      3.969775 
1 1 1 9   2   33 o 39.446  2.0571  214.188   21.574    217.788   30.303    210.488   30.722    39.801  2.8616  39.092  2.9559  0.7096024      4.114169 
1 1 1 9   2   34 o 50.973  2.0439  358.388   27.790    355.288   39.072    361.561   39.534    50.751  2.8862  51.194  2.8950  -0.4430084     4.087893 
1 1 1 9   2   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   2   36 o 34.134  2.1637  164.581   19.464    146.462   27.459    182.880   27.595    32.130  3.2346  36.138  2.8746  -4.007870      4.327363 
1 1 1 9   2   37 o 45.645  2.1457  295.198   26.054    310.058   36.821    280.298   36.870    46.870  2.9480  44.421  3.1186  2.448627       4.291479 
1 1 1 9   2   38 o 15.595  2.9947  37.287    13.094    27.505    18.046    48.162    19.028    13.482  4.3723  17.709  4.0935  -4.226908      5.989476 
1 1 1 9   2   39 o 8.4817  2.5866  0.0983    10.949    6.6316    15.305    -6.7495   15.669    9.3082  3.8247  7.6551  3.4834  1.653150       5.173236 
1 1 1 9   2   40 o 8.9291  2.7077  1.4339    11.885    9.0490    16.804    -6.1875   16.811    9.8966  4.0302  7.9616  3.6171  1.934971       5.415368 
1 1 1 9   2   41 o 18.021  3.1256  53.175    15.033    45.770    20.772    61.319    21.783    16.579  4.5431  19.462  4.2939  -2.883217      6.251129 
1 1 1 9   3   0  f 809.451 21.082  88885.41  4570.77   88885.41  4570.77   0.0000    0.0000    809.451 21.082  ?       ?       ?              ?        
1 1 1 9   3   1  o 133.073 3.9303  2372.64   140.087   2372.64   140.087   0.0000    0.0000    133.073 3.9303  ?       ?       ?              ?        
1 1 1 9   3   2  o 441.607 11.486  26217.46  1358.65   26217.46  1358.65   0.0000    0.0000    441.607 11.486  ?       ?       ?              ?        
1 1 1 9   3   3  o 288.074 7.6729  11133.14  592.044   11133.14  592.044   0.0000    0.0000    288.074 7.6729  ?       ?       ?              ?        
1 1 1 9   3   4  o 555.362 14.466  41564.88  2151.80   0.0000    0.0000    41564.88  2151.80   ?       ?       555.362 14.466  ?              ?        
1 1 1 9   3   5  o 232.090 6.2821  7222.82   390.526   0.0000    0.0000    7222.82   390.526   ?       ?       232.090 6.2821  ?              ?        
1 1 1 9   3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   3   7  o 224.456 6.1474  6756.44   369.580   0.0000    0.0000    6756.44   369.580   ?       ?       224.456 6.1474  ?              ?        
1 1 1 9   3   8  o 248.212 4.7266  8266.60   314.219   8162.19   444.272   8371.12   444.474   246.641 6.7250  249.784 6.6434  -3.142380      9.453108 
1 1 1 9   3   9  o 246.233 4.6901  8137.99   309.314   8051.52   437.277   8224.58   437.595   244.921 6.6656  247.544 6.5998  -2.623688      9.380197 
1 1 1 9   3   10 o 172.740 3.4659  4002.60   160.341   4074.61   226.736   3930.57   226.778   174.297 4.8567  171.184 4.9459  3.113388       6.931803 
1 1 1 9   3   11 o 167.398 3.3698  3760.23   151.060   3848.09   213.596   3672.32   213.665   169.358 4.7087  165.438 4.8218  3.920303       6.739555 
1 1 1 9   3   12 o 59.097  1.8440  468.042   29.188    463.164   41.169    472.972   41.387    58.788  2.6145  59.407  2.6010  -0.6193962     3.687949 
1 1 1 9   3   13 o 48.736  1.7621  318.942   22.939    333.427   32.447    304.470   32.433    49.878  2.4287  47.593  2.5536  2.285198       3.524122 
1 1 1 9   3   14 o 233.019 4.4706  7313.87   279.020   7371.20   394.458   7256.46   394.729   233.939 6.2952  232.100 6.3495  1.839294       8.941196 
1 1 1 9   3   15 f 131.333 2.8098  2315.89   98.834    2275.95   139.531   2356.11   140.014   130.194 4.0012  132.472 3.9460  -2.277679      5.619671 
1 1 1 9   3   16 o 244.557 4.7356  8073.72   310.164   7917.77   438.293   8230.17   438.985   242.173 6.7569  246.940 6.6370  -4.766205      9.471287 
1 1 1 9   3   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   3   18 o 32.397  1.8258  141.657   15.709    142.846   22.072    140.438   22.362    32.538  2.5530  32.255  2.6107  0.2826424      3.651539 
1 1 1 9   3   19 o 118.057 2.6948  1872.30   85.209    1885.57   120.334   1858.95   120.675   118.478 3.7919  117.635 3.8299  0.8429413      5.389531 
1 1 1 9   3   20 o 161.714 3.3223  3520.55   143.833   3382.07   202.995   3660.17   203.828   158.506 4.7814  164.923 4.6142  -6.417007      6.644694 
1 1 1 9   3   21 o 43.972  1.8704  260.350   21.924    260.356   30.775    260.344   31.241    43.975  2.6248  43.970  2.6652  0.4577637E-02  3.740715 
1 1 1 9   3   22 o 51.233  1.9068  353.375   26.067    359.527   36.669    347.090   37.061    51.689  2.6576  50.778  2.7350  0.9117203      3.813543 
1 1 1 9   3   23 o 125.223 2.7587  2112.29   92.529    2112.35   130.535   2112.23   131.179   125.226 3.8917  125.219 3.9111  0.7171631E-02  5.517482 
1 1 1 9   3   24 f 63.376  2.0618  540.869   34.941    573.274   49.220    507.946   49.611    65.301  2.8140  61.451  3.0141  3.850445       4.123558 
1 1 1 9   3   25 o 52.102  1.9052  365.913   26.519    378.845   37.357    352.778   37.650    53.074  2.6279  51.131  2.7594  1.942883       3.810497 
1 1 1 9   3   26 o 11.837  2.5767  18.925    8.9844    20.356    12.725    17.502    12.687    12.189  3.6282  11.486  3.6598  0.7033491      5.153433 
1 1 1 9   3   27 o 42.320  1.9234  242.640   21.685    240.090   30.690    245.181   30.645    42.094  2.7368  42.546  2.7031  -0.4517746     3.846709 
1 1 1 9   3   28 o 29.961  1.9431  122.330   15.412    117.586   21.653    127.203   21.943    29.360  2.7868  30.562  2.7086  -1.201822      3.886291 
1 1 1 9   3   29 o 15.496  2.4704  34.431    10.113    25.123    14.476    43.304    14.134    13.387  3.8384  17.605  3.1111  -4.217294      4.940873 
1 1 1 9   3   30 o 14.314  2.5020  29.268    9.7636    20.129    13.882    38.214    13.735    12.157  3.8233  16.472  3.2285  -4.314978      5.004062 
1 1 1 9   3   31 o 77.178  2.2259  813.888   46.001    830.737   64.839    796.811   65.275    78.003  3.1034  76.352  3.1918  1.651505       4.451808 
1 1 1 9   3   32 o 20.392  2.4130  58.906    12.563    46.057    17.472    72.658    18.076    17.929  3.7585  22.855  3.0272  -4.925970      4.826005 
1 1 1 9   3   33 o 91.606  2.4617  1163.98   60.400    1155.66   85.222    1172.38   85.616    91.273  3.4859  91.939  3.4767  -0.6659622     4.923331 
1 1 1 9   3   34 o 15.256  4.0907  34.193    17.059    34.193    17.059    0.0000    0.0000    15.256  4.0907  ?       ?       ?              ?        
1 1 1 9   3   35 o 49.803  2.1140  346.296   28.069    344.176   39.572    348.444   39.820    49.649  2.9896  49.957  2.9896  -0.3078194     4.227963 
1 1 1 9   3   36 o 55.760  2.1537  438.029   32.042    432.875   45.036    443.311   45.599    55.428  3.0452  56.092  3.0464  -0.6646690     4.307418 
1 1 1 9   3   37 o 6.1702  2.0775  -15.5000  9.4486    -16.0136  13.389    -14.9903  13.336    6.1344  2.9266  6.2060  2.9494  -0.7162857E-01 4.154999 
1 1 1 9   3   38 o 14.276  2.4717  27.146    12.275    -6.4485   17.308    61.142    17.411    8.1317  3.6849  20.421  3.2953  -12.28944      4.943471 
1 1 1 9   3   39 o 8.1673  2.5383  -2.3148   11.035    4.6779    14.835    -10.9780  16.512    8.8894  3.7189  7.4452  3.4557  1.444199       5.076582 
1 1 1 9   3   40 o 10.359  2.9256  11.249    12.469    16.920    17.453    5.3354    17.822    11.215  4.2410  9.5023  4.0311  1.712609       5.851119 
1 1 1 9   3   41 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   4   0  o 392.122 10.332  20655.12  1085.15   20655.12  1085.15   0.0000    0.0000    392.122 10.332  ?       ?       ?              ?        
1 1 1 9   4   1  o 337.894 8.8373  15324.97  799.817   15324.97  799.817   0.0000    0.0000    337.894 8.8373  ?       ?       ?              ?        
1 1 1 9   4   2  f 406.258 10.575  22176.18  1150.68   22176.18  1150.68   0.0000    0.0000    406.258 10.575  ?       ?       ?              ?        
1 1 1 9   4   3  o 247.226 6.6734  8196.54   441.904   8196.54   441.904   0.0000    0.0000    247.226 6.6734  ?       ?       ?              ?        
1 1 1 9   4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   4   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   4   6  o 148.433 4.3325  2952.75   172.251   0.0000    0.0000    2952.75   172.251   ?       ?       148.433 4.3325  ?              ?        
1 1 1 9   4   7  o 333.795 8.7966  14971.03  786.475   0.0000    0.0000    14971.03  786.475   ?       ?       333.795 8.7966  ?              ?        
1 1 1 9   4   8  o 372.779 6.9806  18718.72  696.100   17607.54  983.584   19833.76  985.287   361.633 10.154  383.925 9.5814  -22.29279      13.96118 
1 1 1 9   4   9  o 100.756 2.3141  1360.58   62.446    1383.07   88.337    1338.12   88.286    101.589 3.2465  99.923  3.2986  1.665749       4.628229 
1 1 1 9   4   10 f 199.534 3.8915  5346.25   207.902   5170.92   293.770   5522.17   294.267   196.249 5.5887  202.820 5.4168  -6.571503      7.783027 
1 1 1 9   4   11 o 207.575 4.0679  5789.93   226.164   5843.89   319.770   5735.92   319.920   208.547 5.7246  206.604 5.7811  1.942276       8.135877 
1 1 1 9   4   12 o 102.127 2.3916  1398.78   65.419    1405.41   92.389    1392.11   92.646    102.370 3.3694  101.884 3.3950  0.4866791      4.783172 
1 1 1 9   4   13 o 67.692  1.9467  614.420   35.282    592.828   49.795    636.187   49.997    66.496  2.7958  68.887  2.7097  -2.391106      3.893440 
1 1 1 9   4   14 o 95.532  2.3020  1224.51   58.889    1252.94   83.196    1195.96   83.368    96.645  3.2139  94.419  3.2965  2.226868       4.603925 
1 1 1 9   4   15 o 160.762 3.3135  3474.55   142.650   3389.42   201.455   3560.16   202.020   158.780 4.7369  162.743 4.6345  -3.963593      6.626970 
1 1 1 9   4   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   4   17 o 116.809 2.5869  1832.21   80.915    1780.54   114.154   1884.39   114.711   115.150 3.7012  118.468 3.6151  -3.317490      5.173705 
1 1 1 9   4   18 o 154.482 3.2290  3209.62   133.609   3194.39   188.761   3224.91   189.144   154.114 4.5728  154.850 4.5603  -0.7364349     6.458066 
1 1 1 9   4   19 o 164.558 3.3968  3644.80   149.709   3595.60   211.450   3694.25   211.991   163.440 4.8302  165.676 4.7772  -2.236053      6.793503 
1 1 1 9   4   20 o 72.866  2.0593  712.673   40.183    725.938   56.664    699.254   56.991    73.550  2.8763  72.182  2.9477  1.368088       4.118534 
1 1 1 9   4   21 o 69.152  2.0556  641.933   38.072    633.801   53.619    650.201   54.068    68.710  2.9135  69.594  2.9006  -0.8840485     4.111139 
1 1 1 9   4   22 f 95.951  2.3851  1238.00   61.294    1216.75   86.441    1259.49   86.927    95.121  3.3928  96.782  3.3533  -1.660934      4.770286 
1 1 1 9   4   23 f 72.280  2.0903  702.391   40.455    678.078   56.929    727.194   57.499    71.013  2.9930  73.547  2.9188  -2.534149      4.180638 
1 1 1 9   4   24 o 117.021 2.6745  1850.11   83.759    1932.64   118.273   1767.09   118.635   119.664 3.6901  114.379 3.8724  5.284698       5.349011 
1 1 1 9   4   25 o 58.443  1.9429  459.854   30.411    451.343   42.650    468.657   43.374    57.893  2.7504  58.993  2.7449  -1.100632      3.885826 
1 1 1 9   4   26 o 43.595  3.6504  259.438   42.232    0.0000    0.0000    259.438   42.232    ?       ?       43.595  3.6504  ?              ?        
1 1 1 9   4   27 o 59.891  2.0159  485.029   32.333    492.974   45.576    476.980   45.876    60.392  2.8176  59.391  2.8839  1.000744       4.031802 
1 1 1 9   4   28 o 39.536  1.9498  212.622   20.512    215.812   28.797    209.337   29.223    39.848  2.7142  39.224  2.7999  0.6234055      3.899571 
1 1 1 9   4   29 o 64.168  2.0409  558.904   35.076    561.222   49.453    556.557   49.759    64.307  2.8711  64.030  2.9013  0.2768021      4.081770 
1 1 1 9   4   30 o 13.673  2.6802  26.367    10.455    34.542    14.700    17.999    14.873    15.571  3.5970  11.775  3.9743  3.795832       5.360360 
1 1 1 9   4   31 f 82.629  2.3107  936.293   51.135    941.228   71.923    931.248   72.716    82.865  3.2405  82.392  3.2950  0.4725800      4.621425 
1 1 1 9   4   32 o 63.352  2.1251  550.656   36.060    544.639   50.821    556.757   51.174    63.001  3.0117  63.704  2.9991  -0.7033920     4.250286 
1 1 1 9   4   33 o 42.605  2.0727  251.135   23.503    255.234   33.068    246.951   33.411    42.977  2.8895  42.233  2.9726  0.7438889      4.145488 
1 1 1 9   4   34 o 33.905  3.4240  177.853   24.939    155.067   49.962    185.414   28.781    31.355  6.1689  36.456  2.9733  -5.101824      6.848041 
1 1 1 9   4   35 o 27.198  2.3178  105.680   16.507    111.073   23.139    100.093   23.554    27.980  3.1419  26.416  3.4084  1.563562       4.635605 
1 1 1 9   4   36 o 21.725  2.6575  69.999    14.854    77.507    20.986    62.462    21.028    23.046  3.5107  20.404  3.9906  2.641781       5.315019 
1 1 1 9   4   37 o 25.138  2.5257  93.599    16.320    106.040   22.773    80.463    23.401    27.109  3.1977  23.167  3.9103  3.942087       5.051309 
1 1 1 9   4   38 o 13.182  3.0853  25.837    13.063    33.978    18.304    17.386    18.649    14.756  4.3411  11.608  4.3853  3.147844       6.170634 
1 1 1 9   4   39 o 15.850  3.2169  40.547    14.449    45.628    20.576    35.606    20.294    16.829  4.4839  14.871  4.6139  1.958557       6.433732 
1 1 1 9   4   40 o 11.350  4.3425  17.728    18.433    17.728    18.433    0.0000    0.0000    11.350  4.3425  ?       ?       ?              ?        
1 1 1 9   5   0  o 285.227 7.5701  10913.60  578.341   10913.60  578.341   0.0000    0.0000    285.227 7.5701  ?       ?       ?              ?        
1 1 1 9   5   1  f 389.315 14.461  20425.69  1507.93   20425.69  1507.93   0.0000    0.0000    389.315 14.461  ?       ?       ?              ?        
1 1 1 9   5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   5   3  o 654.889 24.380  58556.17  4276.55   58556.17  4276.55   0.0000    0.0000    654.889 24.380  ?       ?       ?              ?        
1 1 1 9   5   4  o 81.151  2.9663  882.237   64.477    0.0000    0.0000    882.237   64.477    ?       ?       81.151  2.9663  ?              ?        
1 1 1 9   5   5  o 348.851 9.1485  16351.60  854.826   0.0000    0.0000    16351.60  854.826   ?       ?       348.851 9.1485  ?              ?        
1 1 1 9   5   6  o 27.320  2.3626  100.732   17.119    0.0000    0.0000    100.732   17.119    ?       ?       27.320  2.3626  ?              ?        
1 1 1 9   5   7  o 202.378 5.6157  5494.60   304.408   0.0000    0.0000    5494.60   304.408   ?       ?       202.378 5.6157  ?              ?        
1 1 1 9   5   8  o 177.086 3.4952  4206.72   165.786   4222.14   234.589   4191.34   234.325   177.411 4.9367  176.762 4.9493  0.6490326      6.990456 
1 1 1 9   5   9  o 126.973 2.7612  2161.93   93.907    2149.95   132.858   2173.89   132.750   126.621 3.9174  127.325 3.8925  -0.7039108     5.522459 
1 1 1 9   5   10 o 57.832  1.8089  448.215   28.020    443.638   39.582    452.812   39.670    57.536  2.5684  58.128  2.5479  -0.5921326     3.617836 
1 1 1 9   5   11 o 207.579 4.0305  5793.71   224.073   5703.05   316.707   5884.58   317.067   205.947 5.7413  209.211 5.6582  -3.263962      8.060903 
1 1 1 9   5   12 o 78.806  2.0688  832.746   43.664    818.474   61.679    847.082   61.820    78.128  2.9474  79.483  2.9038  -1.355080      4.137535 
1 1 1 9   5   13 o 201.995 3.9235  5490.55   212.277   5482.37   300.024   5498.75   300.385   201.845 5.5495  202.146 5.5478  -0.3015747     7.846964 
1 1 1 9   5   14 o 162.782 3.3361  3562.35   145.445   3613.48   205.538   3511.05   205.844   163.957 4.6803  161.607 4.7554  2.350159       6.672273 
1 1 1 9   5   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   5   16 o 76.818  2.0660  791.550   42.506    777.789   59.915    805.494   60.311    76.145  2.9377  77.491  2.9057  -1.345711      4.131988 
1 1 1 9   5   17 o 128.260 2.8402  2210.81   97.539    2274.90   137.806   2146.46   138.076   130.130 3.9537  126.391 4.0786  3.739365       5.680388 
1 1 1 9   5   18 o 65.999  1.9762  584.314   34.934    584.475   49.290    584.152   49.520    66.008  2.7879  65.989  2.8017  0.1878357E-01  3.952415 
1 1 1 9   5   19 o 59.004  1.9578  467.086   30.936    455.732   43.596    478.602   43.904    58.281  2.7928  59.727  2.7444  -1.446297      3.915514 
1 1 1 9   5   20 o 25.104  2.0175  85.705    13.299    91.832    18.930    79.734    18.687    26.013  2.7590  24.194  2.9443  1.819494       4.034979 
1 1 1 9   5   21 o 120.249 2.6887  1946.77   86.559    2012.15   122.268   1881.08   122.559   122.284 3.7329  118.214 3.8707  4.070938       5.377460 
1 1 1 9   5   22 o 69.704  2.0643  653.006   38.539    647.150   54.189    659.000   54.822    69.388  2.9156  70.020  2.9231  -0.6317825     4.128629 
1 1 1 9   5   23 o 166.930 3.4730  3780.49   155.281   3803.63   219.295   3757.22   219.907   167.452 4.8893  166.408 4.9337  1.044144       6.946023 
1 1 1 9   5   24 o 121.067 2.7236  1982.92   88.316    1960.22   124.546   2005.88   125.253   120.367 3.8631  121.768 3.8403  -1.401047      5.447140 
1 1 1 9   5   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   5   26 o 11.514  2.5423  17.878    8.6986    18.313    12.327    17.446    12.276    11.625  3.5942  11.404  3.5966  0.2204752      5.084653 
1 1 1 9   5   27 o 10.122  2.4670  11.938    8.4621    18.265    11.880    5.4226    12.056    11.556  3.5207  8.6880  3.4567  2.867586       4.934029 
1 1 1 9   5   28 o 89.580  2.3640  1093.15   56.718    1095.78   79.928    1090.49   80.499    89.696  3.3269  89.465  3.3593  0.2310410      4.727910 
1 1 1 9   5   29 o 28.959  2.0540  115.266   15.677    123.269   22.111    107.175   22.231    30.010  2.7824  27.909  3.0223  2.101595       4.108057 
1 1 1 9   5   30 o 62.904  2.1141  541.191   35.500    571.013   49.941    510.730   50.472    64.737  2.8801  61.070  3.0957  3.666622       4.228280 
1 1 1 9   5   31 o 39.766  2.0600  217.922   21.709    236.908   30.596    198.673   30.807    41.574  2.7633  37.957  3.0560  3.616928       4.120097 
1 1 1 9   5   32 o 42.430  2.0267  248.184   22.896    244.234   32.169    252.240   32.595    42.085  2.8710  42.776  2.8614  -0.6910973     4.053413 
1 1 1 9   5   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   5   34 o 40.708  2.1037  231.958   22.671    205.253   31.650    260.097   32.489    38.203  3.1203  43.213  2.8224  -5.009853      4.207443 
1 1 1 9   5   35 o 14.045  2.3610  24.117    11.913    -11.8284  16.762    60.804    16.934    7.5356  3.4920  20.554  3.1786  -13.01834      4.722024 
1 1 1 9   5   36 o 32.928  2.2672  155.812   19.632    172.255   27.781    139.409   27.748    34.807  3.0095  31.048  3.3917  3.758820       4.534389 
1 1 1 9   5   37 o 27.076  2.6029  110.076   17.748    137.289   24.952    82.210    25.250    30.956  3.0490  23.196  4.2196  7.759768       5.205859 
1 1 1 9   5   38 o 16.344  3.1661  42.180    14.351    35.143    19.597    50.319    21.075    14.887  4.5187  17.801  4.4361  -2.914403      6.332272 
1 1 1 9   5   39 o 12.353  2.9770  22.114    12.662    34.271    17.710    9.4017    18.110    14.603  4.2627  10.103  4.1568  4.500424       5.953979 
1 1 1 9   6   0  o 206.702 8.0049  5733.56   443.189   5733.56   443.189   0.0000    0.0000    206.702 8.0049  ?       ?       ?              ?        
1 1 1 9   6   1  o 242.999 6.5423  7919.17   425.820   7919.17   425.820   0.0000    0.0000    242.999 6.5423  ?       ?       ?              ?        
1 1 1 9   6   2  o 232.939 6.3123  7276.93   393.838   7276.93   393.838   0.0000    0.0000    232.939 6.3123  ?       ?       ?              ?        
1 1 1 9   6   3  o 388.643 10.209  20308.46  1062.76   20308.46  1062.76   0.0000    0.0000    388.643 10.209  ?       ?       ?              ?        
1 1 1 9   6   4  o 248.072 6.7029  8257.47   445.379   0.0000    0.0000    8257.47   445.379   ?       ?       248.072 6.7029  ?              ?        
1 1 1 9   6   5  o 184.165 5.1328  4548.28   253.194   0.0000    0.0000    4548.28   253.194   ?       ?       184.165 5.1328  ?              ?        
1 1 1 9   6   6  o 155.497 4.5817  3242.28   190.825   0.0000    0.0000    3242.28   190.825   ?       ?       155.497 4.5817  ?              ?        
1 1 1 9   6   7  o 385.373 10.080  20037.22  1040.49   0.0000    0.0000    20037.22  1040.49   ?       ?       385.373 10.080  ?              ?        
1 1 1 9   6   8  o 243.735 4.6612  7987.43   304.273   7862.85   430.360   8111.94   430.253   241.827 6.6441  245.643 6.5393  -3.815765      9.322373 
1 1 1 9   6   9  o 344.922 6.4970  16077.62  600.217   15922.12  848.811   16233.14  848.860   343.239 9.2326  346.606 9.1435  -3.366211      12.99402 
1 1 1 9   6   10 o 189.166 3.7559  4810.01   190.247   4673.90   268.954   4946.32   269.145   186.478 5.3847  191.854 5.2375  -5.376068      7.511755 
1 1 1 9   6   11 o 50.335  1.7872  340.138   24.044    330.101   34.005    350.174   34.002    49.557  2.5706  51.112  2.4836  -1.554543      3.574449 
1 1 1 9   6   12 o 237.368 4.5779  7594.94   291.044   7513.95   411.418   7676.06   411.780   236.094 6.5059  238.643 6.4421  -2.548431      9.155745 
1 1 1 9   6   13 o 160.599 3.2858  3466.92   141.331   3518.46   199.806   3415.30   199.940   161.798 4.6105  159.400 4.6830  2.398697       6.571666 
1 1 1 9   6   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   6   15 o 57.994  1.9007  451.087   29.514    435.685   41.615    466.674   41.864    56.997  2.7259  58.992  2.6495  -1.994473      3.801354 
1 1 1 9   6   16 o 32.380  1.9698  141.985   16.852    155.545   23.839    128.443   23.824    33.954  2.6421  30.805  2.9223  3.148947       3.939613 
1 1 1 9   6   17 o 110.784 2.5364  1648.22   75.253    1672.62   106.216   1623.62   106.634   111.610 3.5530  109.957 3.6206  1.652542       5.072757 
1 1 1 9   6   18 f 109.233 2.5198  1602.68   73.721    1610.78   104.036   1594.50   104.481   109.512 3.5468  108.954 3.5802  0.5577850      5.039579 
1 1 1 9   6   19 o 48.765  1.8794  320.079   24.443    307.686   34.472    332.612   34.665    47.809  2.7030  49.722  2.6120  -1.912739      3.758859 
1 1 1 9   6   20 o 24.372  2.0238  80.844    12.955    78.258    18.211    83.493    18.433    23.967  2.8954  24.776  2.8282  -0.8088684     4.047520 
1 1 1 9   6   21 o 97.556  2.3597  1280.62   61.651    1300.81   86.966    1260.23   87.410    98.334  3.3019  96.779  3.3720  1.555214       4.719401 
1 1 1 9   6   22 o 116.642 2.6762  1835.81   83.599    1864.87   117.970   1806.51   118.486   117.578 3.7459  115.706 3.8231  1.871780       5.352407 
1 1 1 9   6   23 o 118.489 2.7030  1898.60   85.769    1936.66   121.030   1860.21   121.562   119.696 3.7751  117.282 3.8697  2.413979       5.406077 
1 1 1 9   6   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   6   25 o 92.466  2.3281  1157.94   57.656    1138.04   81.231    1178.15   81.848    91.660  3.3086  93.272  3.2762  -1.611328      4.656231 
1 1 1 9   6   26 o 53.044  1.9605  381.079   27.775    362.141   39.107    400.357   39.456    51.663  2.8369  54.425  2.7066  -2.761318      3.920966 
1 1 1 9   6   27 o 17.580  2.4451  44.001    11.076    30.611    15.506    57.951    15.826    14.694  3.8816  20.465  2.9743  -5.770067      4.890129 
1 1 1 9   6   28 o 83.354  2.2812  946.927   50.924    955.068   71.672    938.626   72.367    83.730  3.1958  82.979  3.2560  0.7505417      4.562307 
1 1 1 9   6   29 o 39.289  1.9844  211.251   20.696    227.183   29.277    195.339   29.259    40.810  2.6936  37.768  2.9148  3.041409       3.968805 
1 1 1 9   6   30 o 18.639  2.5882  51.198    12.472    27.669    17.587    75.004    17.690    14.013  4.2865  23.265  2.9019  -9.252208      5.176399 
1 1 1 9   6   31 o 34.443  2.0523  163.818   18.661    144.291   26.024    184.489   26.775    32.264  3.0475  36.623  2.7496  -4.359024      4.104556 
1 1 1 9   6   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   6   33 o 27.684  2.2817  108.489   16.500    95.670    23.088    121.869   23.588    25.908  3.4099  29.460  3.0326  -3.551998      4.563370 
1 1 1 9   6   34 o 11.232  2.6224  14.998    10.509    -0.6578   15.123    29.617    14.614    8.3480  3.6290  14.115  3.7868  -5.767444      5.244894 
1 1 1 9   6   35 o 35.433  2.2211  178.749   20.855    174.126   29.099    183.632   29.906    34.959  3.1411  35.906  3.1411  -0.9476242     4.442227 
1 1 1 9   6   36 o 13.313  3.0448  25.987    12.762    34.890    18.167    17.313    17.932    15.039  4.2962  11.586  4.3157  3.453176       6.089549 
1 1 1 9   6   37 o 22.701  2.8744  79.098    16.655    98.068    23.760    60.774    23.352    25.781  3.5339  19.621  4.5344  6.159855       5.748805 
1 1 1 9   6   38 o 15.201  3.1807  37.335    13.886    35.129    20.256    39.290    19.073    14.754  4.6149  15.648  4.3784  -0.8938427     6.361399 
1 1 1 9   6   39 o 7.0095  3.2865  -11.6977  15.560    0.0000    0.0000    -11.6977  15.560    ?       ?       7.0095  3.2865  ?              ?        
1 1 1 9   7   0  o 250.474 6.7355  8415.85   451.877   8415.85   451.877   0.0000    0.0000    250.474 6.7355  ?       ?       ?              ?        
1 1 1 9   7   1  o 123.146 3.7674  2032.09   124.266   2032.09   124.266   0.0000    0.0000    123.146 3.7674  ?       ?       ?              ?        
1 1 1 9   7   2  o 57.065  2.5787  436.245   39.416    436.245   39.416    0.0000    0.0000    57.065  2.5787  ?       ?       ?              ?        
1 1 1 9   7   3  o 183.781 5.1831  4529.29   255.141   4529.29   255.141   0.0000    0.0000    183.781 5.1831  ?       ?       ?              ?        
1 1 1 9   7   4  o 189.328 5.3025  4808.27   268.896   0.0000    0.0000    4808.27   268.896   ?       ?       189.328 5.3025  ?              ?        
1 1 1 9   7   5  o 217.095 5.9776  6327.23   347.590   0.0000    0.0000    6327.23   347.590   ?       ?       217.095 5.9776  ?              ?        
1 1 1 9   7   6  o 68.605  2.7224  630.711   50.025    0.0000    0.0000    630.711   50.025    ?       ?       68.605  2.7224  ?              ?        
1 1 1 9   7   7  o 300.905 8.0893  12203.14  651.974   0.0000    0.0000    12203.14  651.974   ?       ?       300.905 8.0893  ?              ?        
1 1 1 9   7   8  o 102.392 2.4004  1405.99   65.813    1450.48   93.349    1362.01   92.802    104.004 3.3510  100.779 3.4379  3.225365       4.800858 
1 1 1 9   7   9  f 78.870  2.0548  834.005   43.407    828.948   61.528    839.016   61.247    78.631  2.9214  79.108  2.8905  -0.4770050     4.109665 
1 1 1 9   7   10 o 93.162  2.2534  1164.16   56.215    1197.28   79.644    1131.29   79.357    94.484  3.1470  91.840  3.2260  2.643951       4.506744 
1 1 1 9   7   11 o 189.864 3.7311  4849.01   189.721   4934.12   268.376   4763.98   268.236   191.537 5.2312  188.191 5.3214  3.345200       7.462127 
1 1 1 9   7   12 o 97.859  2.3665  1284.93   62.026    1271.93   87.699    1297.94   87.737    97.362  3.3629  98.355  3.3304  -0.9924011     4.732958 
1 1 1 9   7   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   7   14 o 72.449  2.0197  704.527   39.141    748.443   55.453    660.925   55.254    74.703  2.7714  70.194  2.9389  4.509636       4.039469 
1 1 1 9   7   15 o 148.263 3.1236  2955.00   124.043   2969.91   175.304   2940.05   175.544   148.639 4.4032  147.887 4.4317  0.7526703      6.247225 
1 1 1 9   7   16 o 122.233 2.7003  2007.31   88.383    2058.86   124.927   1955.66   125.059   123.809 3.7672  120.657 3.8697  3.152313       5.400531 
1 1 1 9   7   17 o 91.034  2.2736  1112.46   55.438    1109.45   78.281    1115.48   78.523    90.910  3.2148  91.157  3.2160  -0.2466507     4.547258 
1 1 1 9   7   18 o 38.852  1.8856  204.259   19.350    175.036   27.223    234.103   27.511    36.002  2.8463  41.702  2.4740  -5.700703      3.771194 
1 1 1 9   7   19 o 139.492 2.9898  2621.04   111.707   2619.50   157.708   2622.59   158.249   139.452 4.2222  139.532 4.2343  -0.8006287E-01 5.979626 
1 1 1 9   7   20 o 130.817 2.8335  2306.65   99.283    2288.37   140.069   2325.11   140.749   130.295 4.0135  131.339 4.0009  -1.044464      5.667087 
1 1 1 9   7   21 o 91.989  2.3292  1139.62   57.381    1157.39   80.913    1121.63   81.388    92.716  3.2582  91.262  3.3295  1.454376       4.658484 
1 1 1 9   7   22 o 92.141  2.3444  1145.34   57.838    1175.54   81.545    1114.76   82.048    93.374  3.2605  90.908  3.3696  2.466690       4.688789 
1 1 1 9   7   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   7   24 o 21.196  2.2278  62.882    11.917    45.518    16.656    81.092    17.057    18.013  3.5783  24.380  2.6550  -6.366423      4.455697 
1 1 1 9   7   25 o 61.962  2.0148  519.259   33.436    521.656   47.100    516.824   47.475    62.110  2.8312  61.814  2.8674  0.2959785      4.029611 
1 1 1 9   7   26 o 15.041  2.5401  32.063    10.100    30.180    14.269    33.954    14.297    14.593  3.6576  15.488  3.5257  -0.8942852     5.080165 
1 1 1 9   7   27 o 98.506  2.4683  1325.18   65.121    1330.40   91.688    1319.86   92.506    98.714  3.4677  98.297  3.5135  0.4166031      4.936579 
1 1 1 9   7   28 o 15.619  2.6005  34.762    10.711    31.675    14.976    37.995    15.327    14.897  3.7545  16.340  3.5992  -1.442105      5.201000 
1 1 1 9   7   29 o 43.336  1.9876  256.981   22.946    255.110   32.294    258.889   32.610    43.177  2.8077  43.495  2.8142  -0.3179092     3.975299 
1 1 1 9   7   30 o 54.828  2.0631  413.126   30.179    420.244   42.403    405.820   42.961    55.330  2.8711  54.326  2.9636  1.003685       4.126248 
1 1 1 9   7   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   7   32 o 17.087  2.8167  43.468    12.922    57.309    18.266    29.601    18.283    19.933  3.5514  14.241  4.3729  5.692709       5.633330 
1 1 1 9   7   33 o 15.283  2.8610  34.949    12.607    49.829    17.673    19.534    17.989    18.410  3.7122  12.156  4.3543  6.253984       5.721956 
1 1 1 9   7   34 o 7.8509  2.4344  -1.8905   9.8380    -4.3080   13.796    0.6111    14.033    7.4911  3.3507  8.2107  3.5324  -0.7195678     4.868805 
1 1 1 9   7   35 o 26.076  2.4569  99.021    16.728    100.911   23.580    97.105    23.734    26.362  3.4201  25.791  3.5282  0.5708332      4.913824 
1 1 1 9   7   36 o 14.049  3.0278  29.904    13.154    41.890    18.284    17.042    18.940    16.472  4.1470  11.627  4.4129  4.844471       6.055654 
1 1 1 9   7   37 o 12.402  3.0910  22.591    12.769    22.404    17.941    22.782    18.178    12.359  4.3570  12.445  4.3858  -0.8517933E-01 6.182093 
1 1 1 9   7   38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   8   0  o 174.370 4.8994  4076.50   228.827   4076.50   228.827   0.0000    0.0000    174.370 4.8994  ?       ?       ?              ?        
1 1 1 9   8   1  o 282.438 7.5096  10714.48  568.101   10714.48  568.101   0.0000    0.0000    282.438 7.5096  ?       ?       ?              ?        
1 1 1 9   8   2  f 99.834  3.3252  1335.67   88.918    1335.67   88.918    0.0000    0.0000    99.834  3.3252  ?       ?       ?              ?        
1 1 1 9   8   3  o 160.496 4.6249  3454.74   198.818   3454.74   198.818   0.0000    0.0000    160.496 4.6249  ?       ?       ?              ?        
1 1 1 9   8   4  f 300.134 8.0336  12125.54  645.827   0.0000    0.0000    12125.54  645.827   ?       ?       300.134 8.0336  ?              ?        
1 1 1 9   8   5  o 131.657 3.9781  2324.77   140.284   0.0000    0.0000    2324.77   140.284   ?       ?       131.657 3.9781  ?              ?        
1 1 1 9   8   6  o 76.643  2.9248  787.399   60.042    0.0000    0.0000    787.399   60.042    ?       ?       76.643  2.9248  ?              ?        
1 1 1 9   8   7  o 135.260 4.0735  2455.10   147.579   0.0000    0.0000    2455.10   147.579   ?       ?       135.260 4.0735  ?              ?        
1 1 1 9   8   8  o 135.933 2.8804  2480.67   104.846   2418.03   148.402   2543.10   148.149   134.216 4.1281  137.651 4.0182  -3.435593      5.760791 
1 1 1 9   8   9  o 179.384 3.6015  4325.93   173.036   4376.96   244.942   4275.10   244.479   180.443 5.0680  178.325 5.1185  2.118698       7.203003 
1 1 1 9   8   10 o 177.431 3.5587  4233.26   169.112   4176.36   239.224   4290.09   239.098   176.235 5.0679  178.628 4.9973  -2.393585      7.117324 
1 1 1 9   8   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   8   12 o 88.008  2.2015  1039.07   51.894    1047.21   73.452    1030.97   73.326    88.352  3.1038  87.664  3.1228  0.6887589      4.402924 
1 1 1 9   8   13 o 140.992 2.9870  2671.26   112.782   2730.60   159.546   2611.99   159.449   142.562 4.1782  139.421 4.2698  3.140488       5.973986 
1 1 1 9   8   14 o 62.274  1.9538  520.152   32.586    510.396   46.049    529.938   46.119    61.688  2.7870  62.860  2.7391  -1.171459      3.907690 
1 1 1 9   8   15 o 131.141 2.8457  2310.89   99.954    2331.21   141.295   2290.54   141.416   131.720 4.0049  130.562 4.0438  1.158203       5.691361 
1 1 1 9   8   16 f 192.923 3.8250  5017.90   197.650   5057.14   279.395   4978.60   279.642   193.683 5.3856  192.162 5.4331  1.521072       7.650066 
1 1 1 9   8   17 o 11.235  2.4993  15.848    8.7829    8.3284    12.231    23.853    12.620    9.3666  3.5483  13.103  3.5206  -3.736634      4.998527 
1 1 1 9   8   18 o 76.756  2.1412  791.418   44.009    767.124   62.065    815.985   62.412    75.568  3.0663  77.944  2.9895  -2.375374      4.282436 
1 1 1 9   8   19 o 121.816 2.7230  1999.24   88.840    2019.50   125.480   1978.87   125.799   122.439 3.8262  121.192 3.8754  1.247124       5.445917 
1 1 1 9   8   20 o 114.110 2.6175  1755.69   79.999    1732.49   112.790   1779.18   113.486   113.349 3.7150  114.872 3.6884  -1.522736      5.235071 
1 1 1 9   8   21 o 47.208  1.8947  300.767   23.843    287.013   33.545    314.812   33.897    46.107  2.7284  48.309  2.6296  -2.201900      3.789334 
1 1 1 9   8   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   8   23 o 33.931  1.9192  156.270   17.297    155.095   24.367    157.464   24.557    33.802  2.7142  34.061  2.7142  -0.2588043     3.838498 
1 1 1 9   8   24 o 69.868  2.1207  660.903   39.672    678.656   55.968    642.974   56.244    70.823  2.9504  68.913  3.0471  1.910355       4.241393 
1 1 1 9   8   25 o 65.988  2.0865  590.103   36.874    588.780   51.773    591.465   52.532    65.918  2.9323  66.058  2.9690  -0.1404800     4.172912 
1 1 1 9   8   26 o 52.139  1.9841  369.724   27.595    378.096   38.795    361.152   39.258    52.752  2.7553  51.526  2.8557  1.226261       3.968210 
1 1 1 9   8   27 o 40.316  1.9791  221.788   21.203    205.525   29.700    238.690   30.278    38.781  2.8799  41.852  2.7156  -3.071766      3.958295 
1 1 1 9   8   28 o 35.112  2.0239  169.017   18.862    163.004   26.407    175.281   26.951    34.464  2.8872  35.761  2.8370  -1.297352      4.047790 
1 1 1 9   8   29 o 43.558  2.0176  260.410   23.404    253.616   32.719    267.527   33.490    42.973  2.8590  44.144  2.8476  -1.171734      4.035167 
1 1 1 9   8   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   8   31 o 17.358  2.7333  44.809    12.888    66.651    18.365    23.618    18.089    21.662  3.2667  13.055  4.3832  8.607646       5.466655 
1 1 1 9   8   32 o 12.600  2.9360  21.696    11.807    30.085    17.056    13.976    16.362    14.249  4.1900  10.950  4.1139  3.299202       5.871946 
1 1 1 9   8   33 o 43.504  2.1380  266.624   24.752    261.027   34.589    272.498   35.437    43.037  3.0197  43.971  3.0273  -0.9335709     4.275912 
1 1 1 9   8   34 o 26.868  2.4673  104.975   17.199    91.448    24.120    118.967   24.531    24.940  3.7248  28.795  3.2367  -3.854776      4.934615 
1 1 1 9   8   35 o 16.031  2.9434  39.263    13.278    24.920    18.482    54.561    19.088    13.031  4.4303  19.030  3.8765  -5.998669      5.886803 
1 1 1 9   8   36 o 21.136  2.9098  69.184    15.829    51.919    22.113    87.325    22.668    18.042  4.5707  24.231  3.6022  -6.189035      5.819594 
1 1 1 9   8   37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   9   0  o 81.208  2.9239  883.680   63.598    883.680   63.598    0.0000    0.0000    81.208  2.9239  ?       ?       ?              ?        
1 1 1 9   9   1  o 223.650 6.1100  6716.91   366.016   6716.91   366.016   0.0000    0.0000    223.650 6.1100  ?       ?       ?              ?        
1 1 1 9   9   2  o 80.142  2.9345  860.776   62.993    860.776   62.993    0.0000    0.0000    80.142  2.9345  ?       ?       ?              ?        
1 1 1 9   9   3  o 229.178 6.2920  7059.97   386.232   7059.97   386.232   0.0000    0.0000    229.178 6.2920  ?       ?       ?              ?        
1 1 1 9   9   4  o 289.938 7.7850  11329.87  604.581   0.0000    0.0000    11329.87  604.581   ?       ?       289.938 7.7850  ?              ?        
1 1 1 9   9   5  o 60.868  2.6712  496.595   43.550    0.0000    0.0000    496.595   43.550    ?       ?       60.868  2.6712  ?              ?        
1 1 1 9   9   6  o 128.573 3.9120  2218.29   134.720   0.0000    0.0000    2218.29   134.720   ?       ?       128.573 3.9120  ?              ?        
1 1 1 9   9   7  o 65.887  2.4479  605.845   40.056    518.606   67.954    652.295   49.586    62.019  4.1141  69.755  2.6539  -7.736122      4.895832 
1 1 1 9   9   8  o 247.760 4.7577  8277.12   315.727   8241.93   446.705   8312.26   446.306   247.229 6.7458  248.291 6.7109  -1.061295      9.515364 
1 1 1 9   9   9  o 189.301 4.5236  4766.05   216.790   4637.95   264.592   5027.68   378.136   185.673 5.3203  192.928 7.3175  -7.255173      9.047195 
1 1 1 9   9   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   9   11 o 16.670  2.1937  38.462    9.4320    40.473    13.475    36.531    13.207    17.114  3.0514  16.225  3.1525  0.8887768      4.387438 
1 1 1 9   9   12 o 70.093  2.0408  659.014   38.296    686.206   54.398    632.295   53.923    71.528  2.8393  68.658  2.9322  2.870605       4.081610 
1 1 1 9   9   13 o 220.252 4.2802  6542.25   252.489   6453.75   356.930   6630.90   357.216   218.751 6.0918  221.752 6.0141  -3.001587      8.560355 
1 1 1 9   9   14 o 33.653  1.8586  152.924   16.603    146.111   23.553    159.654   23.409    32.896  2.6968  34.409  2.5582  -1.513584      3.717181 
1 1 1 9   9   15 o 116.247 2.6388  1815.78   82.146    1857.30   116.223   1774.34   116.122   117.579 3.6904  114.915 3.7727  2.664017       5.277505 
1 1 1 9   9   16 o 88.453  2.2721  1050.76   53.828    1040.52   76.101    1061.01   76.147    88.021  3.2279  88.885  3.1984  -0.8645706     4.544147 
1 1 1 9   9   17 o 81.384  2.1793  889.924   47.498    909.464   67.180    870.392   67.165    82.280  3.0483  80.488  3.1155  1.792336       4.358673 
1 1 1 9   9   18 o 100.524 2.4481  1359.89   65.916    1360.73   93.099    1359.05   93.340    100.556 3.4566  100.492 3.4677  0.6351471E-01  4.896249 
1 1 1 9   9   19 o 149.714 3.1347  3031.41   125.701   3019.75   177.537   3043.13   178.001   149.425 4.4359  150.004 4.4303  -0.5791168     6.269310 
1 1 1 9   9   20 o 28.578  1.9422  110.933   14.676    114.908   20.755    106.958   20.754    29.103  2.6931  28.054  2.7993  1.048937       3.884450 
1 1 1 9   9   21 o 66.668  3.9021  604.364   69.377    0.0000    0.0000    604.364   69.377    ?       ?       66.668  3.9021  ?              ?        
1 1 1 9   9   22 o 66.615  2.0579  599.196   36.709    581.258   51.752    617.362   52.079    65.605  2.9451  67.625  2.8752  -2.020035      4.115887 
1 1 1 9   9   23 o 49.991  1.9506  338.655   26.015    341.179   36.721    336.112   36.862    50.182  2.7424  49.800  2.7745  0.3820763      3.901117 
1 1 1 9   9   24 o 63.861  2.0716  552.633   35.424    565.045   49.895    540.019   50.300    64.596  2.8838  63.127  2.9749  1.468979       4.143195 
1 1 1 9   9   25 o 9.3340  2.4117  8.5277    8.2255    15.195    11.698    2.0077    11.568    10.751  3.5219  7.9169  3.2956  2.834325       4.823409 
1 1 1 9   9   26 o 16.844  2.5271  40.488    11.089    49.974    15.760    31.190    15.604    18.892  3.2306  14.796  3.8869  4.096262       5.054178 
1 1 1 9   9   27 o 47.865  2.0299  313.246   25.898    318.267   36.479    308.142   36.775    48.265  2.8342  47.464  2.9066  0.8007698      4.059709 
1 1 1 9   9   28 o 62.832  2.1254  540.766   35.766    542.296   50.300    539.203   50.867    62.932  2.9841  62.732  3.0273  0.1998482      4.250810 
1 1 1 9   9   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   9   30 o 21.724  2.6292  67.995    14.714    75.060    20.991    61.172    20.631    22.928  3.5314  20.519  3.8962  2.409292       5.258487 
1 1 1 9   9   31 o 8.7321  2.5514  0.9991    10.362    -9.7102   14.613    11.828    14.694    7.1706  3.3006  10.294  3.8917  -3.123002      5.102891 
1 1 1 9   9   32 o 62.089  2.2271  542.852   36.968    546.510   51.950    539.098   52.616    62.373  3.1096  61.806  3.1892  0.5673943      4.454281 
1 1 1 9   9   33 o 17.300  2.8947  45.331    13.203    46.049    18.841    44.639    18.506    17.433  4.1033  17.167  4.0840  0.2652016      5.789306 
1 1 1 9   9   34 o 33.323  2.2919  159.880   20.096    171.216   27.949    147.745   28.915    34.692  3.0384  31.954  3.4321  2.737309       4.583799 
1 1 1 9   9   35 o 11.996  3.0594  19.759    12.704    15.182    17.900    24.406    18.034    11.156  4.2766  12.835  4.3762  -1.679405      6.118845 
1 1 1 9   9   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   10  0  o 120.420 3.7037  1944.43   119.460   1944.43   119.460   0.0000    0.0000    120.420 3.7037  ?       ?       ?              ?        
1 1 1 9   10  1  o 113.703 3.5681  1733.60   108.666   1733.60   108.666   0.0000    0.0000    113.703 3.5681  ?       ?       ?              ?        
1 1 1 9   10  2  o 124.060 3.7918  2064.40   126.000   2064.40   126.000   0.0000    0.0000    124.060 3.7918  ?       ?       ?              ?        
1 1 1 9   10  3  o 235.839 6.4894  7485.96   409.933   7485.96   409.933   0.0000    0.0000    235.839 6.4894  ?       ?       ?              ?        
1 1 1 9   10  4  o 20.270  2.7141  56.057    14.365    0.0000    0.0000    56.057    14.365    ?       ?       20.270  2.7141  ?              ?        
1 1 1 9   10  5  o 134.538 4.0903  2429.68   147.399   0.0000    0.0000    2429.68   147.399   ?       ?       134.538 4.0903  ?              ?        
1 1 1 9   10  6  o 294.137 7.8771  11692.29  620.590   0.0000    0.0000    11692.29  620.590   ?       ?       294.137 7.8771  ?              ?        
1 1 1 9   10  7  o ?       ?       440.707   26921.96  384.388   46627.93  468.871   32973.34  ?       ?       ?       ?       ?              ?        
1 1 1 9   10  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   10  9  o 146.111 3.1055  2868.51   121.529   2911.79   172.171   2825.53   171.567   147.212 4.3664  145.010 4.4172  2.202545       6.211061 
1 1 1 9   10  10 o 37.132  1.8308  185.755   18.093    186.314   25.768    185.212   25.412    37.186  2.6035  37.077  2.5748  0.1082153      3.661669 
1 1 1 9   10  11 o 114.085 2.5861  1747.59   79.010    1711.17   111.851   1783.86   111.622   112.896 3.6989  115.275 3.6152  -2.379448      5.172173 
1 1 1 9   10  12 o 39.427  1.8693  209.425   19.610    220.512   27.883    198.572   27.585    40.470  2.5858  38.385  2.7003  2.084774       3.738665 
1 1 1 9   10  13 o 123.788 2.6964  2058.47   89.400    2047.43   126.505   2069.49   126.358   123.455 3.8257  124.121 3.8007  -0.6658020     5.392719 
1 1 1 9   10  14 o 90.558  2.2732  1101.45   55.102    1054.72   77.913    1148.21   77.939    88.631  3.2820  92.485  3.1463  -3.854218      4.546486 
1 1 1 9   10  15 f 93.063  2.2874  1163.32   57.014    1179.94   80.701    1146.75   80.560    93.728  3.2145  92.397  3.2551  1.330917       4.574829 
1 1 1 9   10  16 o 14.022  2.2974  27.353    9.4582    47.691    13.390    7.0977    13.362    18.646  2.7648  9.3989  3.6698  9.246644       4.594766 
1 1 1 9   10  17 o 37.294  1.9619  187.998   19.401    205.810   27.681    170.800   27.200    39.054  2.6621  35.535  2.8826  3.519253       3.923814 
1 1 1 9   10  18 o 43.059  1.8788  250.140   21.559    256.084   30.596    244.279   30.383    43.572  2.6340  42.547  2.6798  1.025116       3.757549 
1 1 1 9   10  19 o 71.035  4.0357  684.947   76.470    684.947   76.470    0.0000    0.0000    71.035  4.0357  ?       ?       ?              ?        
1 1 1 9   10  20 o 41.452  1.8908  232.527   20.855    219.417   29.457    245.703   29.531    40.264  2.7478  42.640  2.5980  -2.376461      3.781567 
1 1 1 9   10  21 o 78.835  2.1690  839.974   45.797    847.577   64.668    832.324   64.867    79.197  3.0485  78.472  3.0862  0.7245560      4.337974 
1 1 1 9   10  22 o 62.739  2.0298  532.779   34.059    564.728   48.062    500.552   48.271    64.650  2.7755  60.829  2.9627  3.821537       4.059687 
1 1 1 9   10  23 o 90.729  2.3808  1119.34   57.832    1154.15   81.641    1084.29   81.932    92.169  3.3070  89.289  3.4258  2.879616       4.761589 
1 1 1 9   10  24 o 68.358  2.1155  634.263   38.716    609.638   54.530    659.295   54.978    67.006  3.0383  69.711  2.9444  -2.704567      4.230948 
1 1 1 9   10  25 o 30.683  2.0438  128.986   16.594    124.950   23.342    133.111   23.594    30.186  2.9236  31.181  2.8568  -0.9945469     4.087631 
1 1 1 9   10  26 o 28.672  2.1335  113.411   16.116    107.519   22.828    119.266   22.754    27.897  3.1079  29.447  2.9236  -1.550680      4.266902 
1 1 1 9   10  27 o 22.666  2.3673  72.079    13.896    65.224    19.425    79.265    19.887    21.497  3.4936  23.835  3.1955  -2.337980      4.734617 
1 1 1 9   10  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   10  29 o 9.1582  2.5535  3.5556    10.162    15.771    14.255    -9.0678   14.491    11.080  3.8854  7.2361  3.3145  3.844057       5.107047 
1 1 1 9   10  30 o 13.701  2.9008  26.844    11.912    17.096    16.664    37.031    17.034    11.601  4.1868  15.802  4.0162  -4.200603      5.801659 
1 1 1 9   10  31 o 27.830  2.4241  112.438   17.141    85.121    24.210    139.895   24.271    24.101  3.8822  31.559  2.9039  -7.457964      4.848145 
1 1 1 9   10  32 o 21.784  2.7198  71.222    15.033    51.382    21.211    91.242    21.308    18.336  4.3792  25.233  3.2266  -6.897018      5.439546 
1 1 1 9   10  33 o 8.9035  2.6379  3.6666    10.656    0.1500    15.554    6.7768    14.628    8.5228  3.6926  9.2842  3.7680  -0.7613792     5.275711 
1 1 1 9   10  34 o 26.864  2.6694  107.979   18.308    86.718    25.858    129.352   25.925    23.848  4.2015  29.880  3.2941  -6.031422      5.338864 
1 1 1 9   10  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   11  0  o 119.479 3.6877  1914.80   118.015   1914.80   118.015   0.0000    0.0000    119.479 3.6877  ?       ?       ?              ?        
1 1 1 9   11  1  f 127.459 3.8817  2179.74   132.519   2179.74   132.519   0.0000    0.0000    127.459 3.8817  ?       ?       ?              ?        
1 1 1 9   11  2  o 163.170 4.7020  3575.99   205.499   3575.99   205.499   0.0000    0.0000    163.170 4.7020  ?       ?       ?              ?        
1 1 1 9   11  3  o 332.935 12.738  15178.57  1135.92   15178.57  1135.92   0.0000    0.0000    332.935 12.738  ?       ?       ?              ?        
1 1 1 9   11  4  o 40.984  2.5356  226.028   27.698    0.0000    0.0000    226.028   27.698    ?       ?       40.984  2.5356  ?              ?        
1 1 1 9   11  5  o 194.930 7.8207  5136.57   408.329   0.0000    0.0000    5136.57   408.329   ?       ?       194.930 7.8207  ?              ?        
1 1 1 9   11  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   11  7  o 86.993  2.2169  1015.19   51.625    1062.11   73.405    969.272   72.618    88.984  3.0798  85.001  3.1896  3.982872       4.433792 
1 1 1 9   11  8  o 117.086 2.6834  1840.53   84.155    1842.76   119.313   1838.33   118.717   117.156 3.8022  117.016 3.7877  0.1397324      5.366892 
1 1 1 9   11  9  o 125.941 2.7397  2130.23   92.396    2079.59   130.814   2180.64   130.521   124.443 3.9246  127.439 3.8238  -2.996040      5.479381 
1 1 1 9   11  10 o 247.635 4.7829  8282.52   317.197   8123.75   448.679   8441.16   448.490   245.242 6.8305  250.028 6.6969  -4.786301      9.565799 
1 1 1 9   11  11 o 178.366 3.6112  4282.88   172.512   4225.90   244.131   4339.71   243.808   177.175 5.1444  179.558 5.0694  -2.383438      7.222402 
1 1 1 9   11  12 o 76.813  2.0806  791.635   42.806    798.685   60.798    784.705   60.278    77.152  2.9421  76.474  2.9427  0.6782303      4.161184 
1 1 1 9   11  13 o 144.483 3.0093  2808.31   116.456   2824.47   164.862   2792.22   164.525   144.899 4.2478  144.067 4.2636  0.8320618      6.018530 
1 1 1 9   11  14 o 90.450  2.2880  1099.09   55.423    1120.69   78.522    1077.65   78.240    91.337  3.2096  89.562  3.2615  1.775726       4.575909 
1 1 1 9   11  15 o 58.526  1.9681  459.975   30.850    463.120   43.868    456.898   43.393    58.723  2.7890  58.328  2.7775  0.3950806      3.936115 
1 1 1 9   11  16 o 82.278  2.2618  910.921   49.811    953.108   70.628    869.171   70.261    84.181  3.1324  80.374  3.2637  3.806831       4.523641 
1 1 1 9   11  17 o 78.639  2.1566  832.307   45.424    840.558   64.360    824.117   64.119    79.029  3.0405  78.250  3.0592  0.7790604      4.313172 
1 1 1 9   11  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   11  19 o 35.597  1.8888  171.678   17.872    168.933   25.446    174.351   25.108    35.309  2.7113  35.886  2.6305  -0.5769997     3.777645 
1 1 1 9   11  20 o 61.215  1.9923  505.778   32.666    508.053   46.259    503.516   46.136    61.353  2.8150  61.078  2.8201  0.2754517      3.984587 
1 1 1 9   11  21 o 56.788  2.0017  436.692   30.339    406.403   42.695    467.587   43.120    54.742  2.9224  58.834  2.7363  -4.092625      4.003456 
1 1 1 9   11  22 o 39.643  1.9422  213.570   20.490    218.876   28.985    208.270   28.971    40.144  2.7115  39.141  2.7815  1.003414       3.884461 
1 1 1 9   11  23 o 40.481  1.9568  222.953   21.088    218.365   29.685    227.626   29.962    40.055  2.7842  40.907  2.7505  -0.8521385     3.913687 
1 1 1 9   11  24 o 45.834  1.9937  286.247   24.354    280.712   34.387    291.817   34.496    45.382  2.8433  46.287  2.7956  -0.9054756     3.987427 
1 1 1 9   11  25 o 29.398  2.1318  119.084   16.539    115.254   23.425    122.891   23.355    28.906  3.0727  29.890  2.9560  -0.9834881     4.263677 
1 1 1 9   11  26 o 42.011  2.0806  242.510   23.240    255.304   32.980    229.891   32.754    43.142  2.8704  40.879  3.0126  2.262592       4.161124 
1 1 1 9   11  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   11  28 f 21.693  2.5510  67.435    14.290    69.765    20.034    65.023    20.388    22.123  3.4972  21.263  3.7150  0.8600616      5.102080 
1 1 1 9   11  29 o 36.431  2.2038  187.647   20.942    222.841   29.599    152.371   29.634    40.070  2.7749  32.791  3.4245  7.278866       4.407661 
1 1 1 9   11  30 o 14.110  2.9776  29.492    12.106    28.075    16.814    31.016    17.446    13.792  4.1854  14.427  4.2363  -0.6356630     5.955121 
1 1 1 9   11  31 o 31.233  2.3184  139.513   19.028    127.674   26.985    151.221   26.836    29.803  3.4438  32.663  3.1048  -2.859692      4.636779 
1 1 1 9   11  32 f 21.337  2.8280  68.438    15.511    78.865    21.883    57.908    21.990    23.198  3.6418  19.476  4.3277  3.721792       5.656088 
1 1 1 9   11  33 f 10.235  2.8995  9.9872    12.078    9.7301    16.928    10.254    17.239    10.167  4.0788  10.303  4.1222  -0.1364155     5.799084 
1 1 1 9   11  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   12  0  o 160.605 4.6102  3464.46   198.320   3464.46   198.320   0.0000    0.0000    160.605 4.6102  ?       ?       ?              ?        
1 1 1 9   12  1  o 162.676 4.6478  3554.96   202.516   3554.96   202.516   0.0000    0.0000    162.676 4.6478  ?       ?       ?              ?        
1 1 1 9   12  2  o 64.974  2.7746  566.025   48.287    566.025   48.287    0.0000    0.0000    64.974  2.7746  ?       ?       ?              ?        
1 1 1 9   12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   12  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   12  5  o 245.076 6.6779  8102.96   438.361   0.0000    0.0000    8102.96   438.361   ?       ?       245.076 6.6779  ?              ?        
1 1 1 9   12  6  o 150.173 4.4229  3030.29   177.903   0.0000    0.0000    3030.29   177.903   ?       ?       150.173 4.4229  ?              ?        
1 1 1 9   12  7  o 260.643 4.9441  9178.48   344.978   8835.29   487.864   9521.69   487.882   255.727 7.1225  265.559 6.8591  -9.831879      9.888217 
1 1 1 9   12  8  o 32.737  1.9238  144.853   16.698    139.177   23.800    150.355   23.434    32.093  2.7966  33.382  2.6425  -1.288319      3.847577 
1 1 1 9   12  9  o 127.777 2.7962  2193.05   95.691    2235.72   135.682   2150.82   134.976   129.017 3.9263  126.538 3.9824  2.478622       5.592483 
1 1 1 9   12  10 o 154.528 3.2400  3211.75   134.102   3245.28   189.990   3178.45   189.310   155.334 4.5664  153.722 4.5978  1.612274       6.480090 
1 1 1 9   12  11 o 182.113 3.6376  4468.73   177.439   4467.78   251.236   4469.67   250.638   182.092 5.1511  182.134 5.1377  -0.4142761E-01 7.275289 
1 1 1 9   12  12 o 243.442 4.6972  8033.66   306.103   7717.49   432.841   8349.99   432.949   238.592 6.7730  248.292 6.5101  -9.699463      9.394412 
1 1 1 9   12  13 o 78.670  2.1472  831.332   45.243    826.005   64.168    836.598   63.801    78.418  3.0550  78.922  3.0182  -0.5040436     4.294487 
1 1 1 9   12  14 o 99.372  2.4690  1328.77   65.693    1373.61   93.166    1284.42   92.644    101.046 3.4423  97.698  3.5403  3.348328       4.937949 
1 1 1 9   12  15 o 32.765  1.9504  145.608   16.910    134.839   24.045    156.148   23.787    31.541  2.8779  33.990  2.6333  -2.449673      3.900850 
1 1 1 9   12  16 o 86.183  2.2791  1000.57   52.611    999.888   74.497    1001.24   74.310    86.153  3.2283  86.213  3.2180  -0.6000519E-01 4.558237 
1 1 1 9   12  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   12  18 o 52.443  1.9534  371.710   27.340    378.441   38.768    365.050   38.562    52.920  2.7445  51.967  2.7805  0.9533844      3.906852 
1 1 1 9   12  19 o 55.970  1.9809  423.375   29.638    435.428   42.105    411.538   41.727    56.801  2.7675  55.140  2.8349  1.661438       3.961758 
1 1 1 9   12  20 o 34.449  1.9495  161.316   17.836    164.357   25.381    158.348   25.069    34.773  2.7474  34.124  2.7666  0.6491585      3.898954 
1 1 1 9   12  21 o 43.458  1.9713  256.996   22.755    234.436   32.156    279.625   32.205    41.510  2.9106  45.407  2.6595  -3.897533      3.942684 
1 1 1 9   12  22 o 6.1389  1.9831  -7.3337   7.2912    -3.9403   10.705    -10.2705  9.9584    6.6830  2.9731  5.5949  2.6251  1.088089       3.966172 
1 1 1 9   12  23 o 44.508  2.0018  270.135   23.726    261.081   33.635    279.103   33.473    43.747  2.8867  45.269  2.7740  -1.521885      4.003504 
1 1 1 9   12  24 o 16.547  2.6620  39.454    11.635    48.620    16.367    30.089    16.543    18.559  3.4184  14.534  4.0816  4.025723       5.323993 
1 1 1 9   12  25 o 50.715  2.0609  352.704   27.868    362.421   39.396    342.973   39.427    51.434  2.8711  49.997  2.9573  1.437435       4.121776 
1 1 1 9   12  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   12  27 o 39.363  2.1147  215.508   22.061    230.369   30.932    200.124   31.473    40.818  2.8470  37.908  3.1276  2.910625       4.229351 
1 1 1 9   12  28 o 10.236  2.7025  9.1011    10.843    -2.9561   15.320    21.205    15.349    8.1607  3.5970  12.312  4.0344  -4.151204      5.405054 
1 1 1 9   12  29 o 37.473  2.1763  197.402   21.645    192.054   30.276    202.994   30.957    36.945  3.0878  38.001  3.0676  -1.055561      4.352504 
1 1 1 9   12  30 o 29.793  2.3350  126.713   18.293    118.869   25.637    134.849   26.111    28.797  3.3886  30.789  3.2135  -1.992367      4.670023 
1 1 1 9   12  31 o 24.517  2.6941  89.270    16.724    67.318    23.466    111.931   23.841    21.076  4.3024  27.959  3.2438  -6.883453      5.388252 
1 1 1 9   12  32 f 19.268  2.9777  57.046    14.959    50.674    21.270    63.281    21.041    18.054  4.4313  20.482  3.9787  -2.427715      5.955439 
1 1 1 9   12  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   13  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   13  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   13  2  o 335.483 9.0150  15270.19  810.078   15270.19  810.078   0.0000    0.0000    335.483 9.0150  ?       ?       ?              ?        
1 1 1 9   13  3  o 170.161 4.8951  3893.06   223.103   0.0000    0.0000    3893.06   223.103   ?       ?       170.161 4.8951  ?              ?        
1 1 1 9   13  4  o 176.495 5.0729  4189.89   239.816   0.0000    0.0000    4189.89   239.816   ?       ?       176.495 5.0729  ?              ?        
1 1 1 9   13  5  o 167.305 4.8102  3763.57   215.555   0.0000    0.0000    3763.57   215.555   ?       ?       167.305 4.8102  ?              ?        
1 1 1 9   13  6  o 152.000 3.8959  3136.40   149.635   3032.24   256.438   3190.18   184.255   149.932 6.3856  154.069 4.4650  -4.136887      7.791736 
1 1 1 9   13  7  o 157.858 3.2708  3350.51   138.290   3395.58   195.909   3305.76   195.235   158.919 4.6025  156.797 4.6487  2.122269       6.541629 
1 1 1 9   13  8  o 77.966  2.1336  815.565   44.531    851.639   63.322    780.267   62.637    79.674  2.9672  76.258  3.0666  3.416153       4.267113 
1 1 1 9   13  9  o 154.353 3.1965  3205.49   132.133   3150.00   187.127   3260.66   186.604   153.014 4.5658  155.693 4.4747  -2.678635      6.392920 
1 1 1 9   13  10 o 176.553 3.6219  4202.02   171.266   4269.85   242.643   4134.67   241.773   177.980 5.0899  175.126 5.1543  2.854279       7.243857 
1 1 1 9   13  11 o 48.050  1.9238  311.011   24.647    304.012   35.106    317.815   34.612    47.511  2.7707  48.590  2.6696  -1.079754      3.847583 
1 1 1 9   13  12 o 47.305  1.9319  301.356   24.364    313.345   34.791    289.819   34.131    48.234  2.7038  46.376  2.7601  1.857662       3.863796 
1 1 1 9   13  13 o 84.762  2.2391  966.145   50.835    976.351   72.175    956.097   71.611    85.206  3.1624  84.317  3.1708  0.8893509      4.478298 
1 1 1 9   13  14 o 67.281  2.0846  608.859   37.544    637.152   53.416    581.236   52.780    68.831  2.8974  65.731  2.9978  3.099319       4.169132 
1 1 1 9   13  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   13  16 o 37.949  1.8973  194.784   19.157    197.637   27.448    192.075   26.750    38.219  2.6986  37.679  2.6678  0.5398445      3.794681 
1 1 1 9   13  17 o 23.557  2.0721  75.759    12.748    84.254    18.581    68.204    17.523    24.834  2.8446  22.280  3.0137  2.554436       4.144174 
1 1 1 9   13  18 o 58.299  1.9788  458.937   30.897    455.068   43.889    462.738   43.504    58.052  2.8226  58.547  2.7742  -0.4953461     3.957682 
1 1 1 9   13  19 o 72.631  2.1531  714.554   41.839    757.129   59.401    672.637   58.940    74.799  2.9649  70.463  3.1229  4.336937       4.306159 
1 1 1 9   13  20 o 55.585  2.0373  419.367   30.223    430.984   43.046    408.074   42.443    56.352  2.8613  54.819  2.9009  1.532253       4.074590 
1 1 1 9   13  21 o 22.172  2.2651  68.090    13.053    71.501    18.811    64.922    18.126    22.723  3.1776  21.622  3.2289  1.101730       4.530205 
1 1 1 9   13  22 o 32.238  2.0817  142.416   17.776    142.696   25.298    142.142   24.982    32.266  2.9602  32.211  2.9276  0.5494308E-01  4.163369 
1 1 1 9   13  23 o 27.445  2.2032  104.137   15.907    103.167   22.602    105.089   22.390    27.308  3.1477  27.582  3.0835  -0.2738018     4.406307 
1 1 1 9   13  24 o 61.621  2.1427  520.562   35.297    506.312   49.794    534.955   50.042    60.718  3.0717  62.524  2.9881  -1.805302      4.285365 
1 1 1 9   13  25 o 39.241  2.9862  212.665   31.151    0.0000    0.0000    212.665   31.151    ?       ?       39.241  2.9862  ?              ?        
1 1 1 9   13  26 o 35.373  2.1280  173.945   19.955    181.706   28.301    166.271   28.141    36.190  2.9451  34.556  3.0724  1.633743       4.256009 
1 1 1 9   13  27 o 15.431  2.9724  35.245    12.614    37.399    18.256    33.277    17.450    15.863  4.2222  14.998  4.1849  0.8644361      5.944782 
1 1 1 9   13  28 o 9.8896  2.7107  8.2937    10.746    16.882    15.142    -0.4228   15.254    11.337  4.0020  8.4422  3.6572  2.894823       5.421342 
1 1 1 9   13  29 o 13.161  3.0171  25.036    12.142    27.057    17.783    23.271    16.618    13.578  4.3337  12.743  4.1989  0.8346567      6.034190 
1 1 1 9   13  30 o 13.821  2.9088  26.291    12.604    44.711    18.599    10.649    17.140    17.203  4.0954  10.439  4.1317  6.763122       5.817512 
1 1 1 9   13  31 o 28.784  2.6028  122.413   19.230    145.363   27.205    99.498    27.184    31.808  3.2384  25.759  4.0756  6.048788       5.205568 
1 1 1 9   13  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   14  0  o 98.476  3.2914  1301.04   86.816    1301.04   86.816    0.0000    0.0000    98.476  3.2914  ?       ?       ?              ?        
1 1 1 9   14  1  o 248.996 6.7603  8366.34   450.868   8366.34   450.868   0.0000    0.0000    248.996 6.7603  ?       ?       ?              ?        
1 1 1 9   14  2  o 127.778 5.6712  2198.47   194.097   2198.47   194.097   0.0000    0.0000    127.778 5.6712  ?       ?       ?              ?        
1 1 1 9   14  3  o 131.297 4.0311  2315.14   141.763   0.0000    0.0000    2315.14   141.763   ?       ?       131.297 4.0311  ?              ?        
1 1 1 9   14  4  o 160.679 4.6338  3470.74   199.427   0.0000    0.0000    3470.74   199.427   ?       ?       160.679 4.6338  ?              ?        
1 1 1 9   14  5  o 105.849 3.5101  1503.91   99.515    0.0000    0.0000    1503.91   99.515    ?       ?       105.849 3.5101  ?              ?        
1 1 1 9   14  6  o 128.201 2.8096  2208.41   96.450    2152.46   136.513   2264.19   136.288   126.573 4.0266  129.828 3.9192  -3.254555      5.619100 
1 1 1 9   14  7  o 38.009  1.8979  195.019   19.167    185.006   27.311    204.738   26.907    37.033  2.7735  38.985  2.5915  -1.952065      3.795825 
1 1 1 9   14  8  o 93.501  2.3268  1174.34   58.247    1139.45   82.589    1208.87   82.162    92.115  3.3474  94.888  3.2327  -2.773041      4.653545 
1 1 1 9   14  9  o 43.147  1.9201  250.761   22.070    260.183   31.464    241.636   30.965    43.950  2.6856  42.344  2.7449  1.606934       3.840234 
1 1 1 9   14  10 o 43.042  1.9149  249.701   21.938    265.389   31.253    234.463   30.802    44.386  2.6407  41.697  2.7738  2.689247       3.829770 
1 1 1 9   14  11 o 34.745  1.9891  163.330   18.337    159.825   26.290    166.650   25.588    34.371  2.8824  35.119  2.7420  -0.7478371     3.978289 
1 1 1 9   14  12 o 89.834  2.3135  1086.03   55.658    1112.13   79.033    1060.34   78.396    90.908  3.2458  88.759  3.2975  2.148590       4.626965 
1 1 1 9   14  13 o 89.578  4.5110  1089.30   107.887   1089.30   107.887   0.0000    0.0000    89.578  4.5110  ?       ?       ?              ?        
1 1 1 9   14  14 o 54.164  2.7663  415.096   35.242    361.284   65.300    437.211   41.862    51.333  4.8052  56.995  2.7422  -5.661690      5.532570 
1 1 1 9   14  15 o 54.792  1.9690  405.487   28.798    411.673   41.096    399.518   40.368    55.203  2.7884  54.381  2.7807  0.8219032      3.937926 
1 1 1 9   14  16 o 44.570  1.9540  268.892   23.202    279.419   33.056    258.668   32.576    45.439  2.7287  43.701  2.7977  1.737991       3.908066 
1 1 1 9   14  17 o 70.402  2.1182  670.220   39.943    672.929   56.709    667.553   56.271    70.542  3.0013  70.263  2.9900  0.2798309      4.236485 
1 1 1 9   14  18 o 79.661  2.2205  860.225   47.368    841.869   67.129    878.428   66.849    78.803  3.1804  80.520  3.0996  -1.717346      4.440997 
1 1 1 9   14  19 o 58.700  2.0623  467.464   32.362    460.254   45.982    474.541   45.555    58.205  2.9592  59.195  2.8732  -0.9897270     4.124554 
1 1 1 9   14  20 o 57.451  2.0669  448.521   31.744    440.512   44.980    456.467   44.806    56.893  2.9620  58.009  2.8837  -1.116325      4.133883 
1 1 1 9   14  21 o 82.385  2.3136  926.432   51.052    919.920   72.201    932.944   72.196    82.089  3.2837  82.680  3.2601  -0.5903397     4.627189 
1 1 1 9   14  22 o 27.988  2.1736  108.207   16.022    111.018   22.683    105.407   22.634    28.367  3.0323  27.610  3.1151  0.7567291      4.347286 
1 1 1 9   14  23 o 29.918  4.1789  127.130   32.573    127.130   32.573    0.0000    0.0000    29.918  4.1789  ?       ?       ?              ?        
1 1 1 9   14  24 o 34.365  2.1490  163.679   19.560    156.931   27.695    170.394   27.630    33.626  3.1101  35.104  2.9664  -1.477383      4.297945 
1 1 1 9   14  25 o 32.391  2.1823  146.388   18.690    140.872   26.479    151.866   26.385    31.749  3.1556  33.033  3.0153  -1.284492      4.364572 
1 1 1 9   14  26 o 55.267  2.1633  425.708   31.898    422.466   45.042    428.970   45.181    55.050  3.0669  55.484  3.0519  -0.4338951     4.326607 
1 1 1 9   14  27 o 10.344  2.7727  11.119    10.686    17.004    15.813    6.1724    14.498    11.449  4.0845  9.2394  3.7507  2.209241       5.545374 
1 1 1 9   14  28 o 19.929  2.8400  59.094    14.635    54.206    20.628    64.047    20.766    19.009  4.1663  20.849  3.8607  -1.839771      5.680056 
1 1 1 9   14  29 f 7.7609  2.4289  -6.5630   10.573    -18.4865  15.158    4.7335    14.754    6.5036  3.1058  9.0182  3.7353  -2.514581      4.857817 
1 1 1 9   14  30 o 13.739  3.1806  28.287    13.481    28.597    19.550    28.006    18.614    13.811  4.5544  13.667  4.4410  0.1443348      6.361175 
1 1 1 9   14  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   15  0  o 134.000 4.0777  2411.56   146.354   2411.56   146.354   0.0000    0.0000    134.000 4.0777  ?       ?       ?              ?        
1 1 1 9   15  1  o 66.452  2.7797  592.190   49.477    592.190   49.477    0.0000    0.0000    66.452  2.7797  ?       ?       ?              ?        
1 1 1 9   15  2  o 177.428 5.0076  4235.01   237.980   0.0000    0.0000    4235.01   237.980   ?       ?       177.428 5.0076  ?              ?        
1 1 1 9   15  3  o 59.343  2.7425  472.293   43.592    0.0000    0.0000    472.293   43.592    ?       ?       59.343  2.7425  ?              ?        
1 1 1 9   15  4  o 69.150  2.9035  641.469   53.777    0.0000    0.0000    641.469   53.777    ?       ?       69.150  2.9035  ?              ?        
1 1 1 9   15  5  o 58.190  2.3845  466.911   34.981    419.283   58.407    493.551   43.682    55.721  3.9388  60.659  2.6885  -4.937969      4.768909 
1 1 1 9   15  6  o 10.275  2.5076  12.696    8.4025    14.623    12.058    10.876    11.715    10.745  3.5785  9.8049  3.5138  0.9397955      5.015184 
1 1 1 9   15  7  o 76.131  2.1272  778.209   43.374    771.855   61.479    784.506   61.201    75.820  3.0273  76.441  2.9891  -0.6212845     4.254307 
1 1 1 9   15  8  o 82.119  2.2032  905.964   48.459    903.859   68.717    908.046   68.346    82.024  3.1278  82.215  3.1037  -0.1917267     4.406332 
1 1 1 9   15  9  o 123.933 2.8025  2069.04   93.027    2064.29   131.880   2073.74   131.243   123.789 3.9775  124.077 3.9491  -0.2881012     5.604949 
1 1 1 9   15  10 o 92.963  2.3801  1163.25   59.256    1146.90   84.058    1179.40   83.544    92.309  3.3998  93.617  3.3318  -1.308075      4.760146 
1 1 1 9   15  11 f 77.477  2.1720  807.802   45.061    832.832   63.976    783.159   63.480    78.672  3.0360  76.282  3.1069  2.390717       4.344004 
1 1 1 9   15  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   15  13 o 70.874  2.0995  677.064   39.854    676.793   56.578    677.331   56.148    70.858  2.9810  70.890  2.9571  -0.3183746E-01 4.198910 
1 1 1 9   15  14 f 28.791  2.0121  112.794   15.305    117.818   21.905    108.002   21.393    29.429  2.8133  28.154  2.8774  1.274385       4.024162 
1 1 1 9   15  15 o 44.947  1.9509  273.509   23.320    298.363   33.418    249.919   32.557    46.960  2.6679  42.934  2.8472  4.026138       3.901822 
1 1 1 9   15  16 o 53.432  1.9921  386.904   28.398    382.689   40.588    390.947   39.748    53.136  2.8624  53.728  2.7715  -0.5917168     3.984259 
1 1 1 9   15  17 o 30.684  2.0344  128.449   16.522    129.640   23.639    127.312   23.100    30.820  2.8976  30.547  2.8565  0.2723141      4.068866 
1 1 1 9   15  18 o 51.158  2.0154  355.628   27.467    380.006   39.112    331.907   38.582    52.913  2.7693  49.402  2.9288  3.511154       4.030749 
1 1 1 9   15  19 o 57.741  2.0989  453.939   32.351    457.384   45.845    450.522   45.658    57.961  2.9629  57.520  2.9737  0.4408989      4.197795 
1 1 1 9   15  20 o 85.627  2.3617  1002.29   54.160    1020.03   76.706    984.651   76.481    86.396  3.3147  84.859  3.3649  1.537415       4.723310 
1 1 1 9   15  21 o 8.8149  2.5204  4.3630    9.4056    -0.6964   13.682    8.8967    12.951    8.0957  3.4853  9.5342  3.6418  -1.438573      5.040889 
1 1 1 9   15  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   15  23 f 52.385  2.1240  378.737   29.665    369.632   42.156    387.669   41.754    51.732  3.0559  53.037  2.9509  -1.304966      4.248051 
1 1 1 9   15  24 o 57.486  2.1837  458.660   33.490    472.270   47.520    445.229   47.206    58.359  3.0506  56.612  3.1253  1.747463       4.367311 
1 1 1 9   15  25 o 13.345  2.9703  25.678    11.894    22.827    17.458    28.148    16.249    12.817  4.3060  13.874  4.0926  -1.056892      5.940628 
1 1 1 9   15  26 o 25.087  2.5214  90.528    16.464    91.469    23.505    89.622    23.069    25.210  3.5816  24.965  3.5499  0.2450352      5.042802 
1 1 1 9   15  27 o 21.239  2.8048  67.672    15.234    52.211    21.813    82.393    21.284    18.542  4.4489  23.937  3.4167  -5.395098      5.609526 
1 1 1 9   15  28 o 26.481  2.6003  103.272   17.446    78.721    24.644    127.935   24.700    22.951  4.1621  30.012  3.1182  -7.060431      5.200593 
1 1 1 9   15  29 o 16.871  3.1497  44.231    14.453    42.138    20.805    46.182    20.093    16.444  4.5629  17.297  4.3431  -0.8532639     6.299423 
1 1 1 9   15  30 o 26.691  3.7543  106.420   26.099    0.0000    0.0000    106.420   26.099    ?       ?       26.691  3.7543  ?              ?        
1 1 1 9   16  0  o 74.842  2.9308  751.371   58.753    751.371   58.753    0.0000    0.0000    74.842  2.9308  ?       ?       ?              ?        
1 1 1 9   16  1  o 104.898 3.4686  1477.15   97.456    1477.15   97.456    0.0000    0.0000    104.898 3.4686  ?       ?       ?              ?        
1 1 1 9   16  2  o 149.271 4.3260  2995.84   172.964   0.0000    0.0000    2995.84   172.964   ?       ?       149.271 4.3260  ?              ?        
1 1 1 9   16  3  o 42.022  2.6515  237.806   29.691    0.0000    0.0000    237.806   29.691    ?       ?       42.022  2.6515  ?              ?        
1 1 1 9   16  4  f 106.597 3.5398  1526.58   101.068   0.0000    0.0000    1526.58   101.068   ?       ?       106.597 3.5398  ?              ?        
1 1 1 9   16  5  o 47.305  1.9113  301.680   24.025    270.310   33.739    333.951   34.220    44.787  2.8270  49.822  2.5731  -5.035683      3.822684 
1 1 1 9   16  6  o 115.892 2.6568  1807.44   82.439    1748.33   116.554   1866.60   116.617   113.987 3.8175  117.797 3.6961  -3.809799      5.313618 
1 1 1 9   16  7  o 69.675  2.0916  652.262   39.032    660.558   55.298    644.026   55.101    70.118  2.9444  69.233  2.9714  0.8850784      4.183108 
1 1 1 9   16  8  o 70.418  2.0901  666.724   39.412    650.176   55.829    683.163   55.645    69.543  2.9972  71.293  2.9140  -1.749771      4.180292 
1 1 1 9   16  9  o 58.631  2.0060  462.267   31.500    455.190   44.570    469.329   44.525    58.181  2.8601  59.082  2.8136  -0.9005661     4.012026 
1 1 1 9   16  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   16  11 o 166.911 3.5221  3795.49   157.416   3908.97   223.108   3682.99   222.134   169.433 4.9162  164.390 5.0449  5.042328       7.044124 
1 1 1 9   16  12 o 19.947  2.3431  55.283    11.970    66.610    17.236    44.731    16.636    22.023  2.9999  17.870  3.6002  4.153608       4.686190 
1 1 1 9   16  13 o 36.907  1.9924  184.277   19.502    201.895   28.373    168.498   26.850    38.593  2.7631  35.221  2.8712  3.371880       3.984756 
1 1 1 9   16  14 o 56.036  2.0422  425.454   30.538    419.624   43.555    431.092   42.830    55.648  2.9325  56.425  2.8431  -0.7770882     4.084419 
1 1 1 9   16  15 o 52.432  2.0308  372.733   28.406    383.146   40.494    362.644   39.858    53.159  2.8544  51.706  2.8896  1.453758       4.061679 
1 1 1 9   16  16 o 46.704  2.0085  296.225   25.005    301.057   35.511    291.474   35.214    47.086  2.8288  46.322  2.8521  0.7634315      4.017024 
1 1 1 9   16  17 o 40.962  2.0434  228.643   22.265    223.844   31.720    233.303   31.260    40.524  2.9425  41.401  2.8361  -0.8768158     4.086755 
1 1 1 9   16  18 o 20.575  2.5056  60.258    13.146    47.968    18.835    71.932    18.357    18.353  3.9485  22.797  3.0856  -4.444096      5.011171 
1 1 1 9   16  19 o 18.495  2.6555  48.636    12.706    55.476    18.227    42.171    17.721    19.829  3.5628  17.162  3.9385  2.666948       5.310935 
1 1 1 9   16  20 o 8.5454  2.4253  2.9433    8.9050    11.149    12.818    -4.7130   12.381    9.9604  3.6601  7.1304  3.1829  2.830060       4.850527 
1 1 1 9   16  21 o 40.859  2.1613  229.735   23.443    248.240   34.024    213.008   32.347    42.447  3.0122  39.271  3.1004  3.175594       4.322666 
1 1 1 9   16  22 o 36.918  2.1689  190.005   21.091    167.084   30.060    212.231   29.601    34.608  3.2821  39.227  2.8363  -4.618950      4.337827 
1 1 1 9   16  23 o 15.470  2.9389  34.913    12.634    44.072    18.259    26.500    17.499    17.324  4.0137  13.616  4.2940  3.708345       5.877751 
1 1 1 9   16  24 o 26.596  2.4037  100.909   16.572    115.112   23.531    86.931    23.343    28.602  3.1223  24.590  3.6554  4.012381       4.807387 
1 1 1 9   16  25 f 19.796  2.8368  57.880    14.523    60.386    20.871    55.527    20.221    20.229  3.9938  19.363  4.0300  0.8653316      5.673690 
1 1 1 9   16  26 o 13.534  2.9261  25.778    12.492    11.740    17.663    39.829    17.671    10.759  4.2142  16.309  4.0608  -5.550187      5.852285 
1 1 1 9   16  27 o 14.045  3.1445  29.242    13.533    21.835    19.453    36.188    18.838    12.661  4.5289  15.429  4.3635  -2.767583      6.288947 
1 1 1 9   16  28 o 16.378  2.8555  42.444    14.095    13.481    20.851    66.814    19.127    11.397  4.5424  21.360  3.4616  -9.962850      5.711052 
1 1 1 9   16  29 o 24.720  2.7863  92.730    17.654    108.455   25.193    77.558    24.746    27.073  3.5606  22.366  4.2867  4.706329       5.572562 
1 1 1 9   17  0  o 96.880  3.2792  1260.07   85.093    1260.07   85.093    0.0000    0.0000    96.880  3.2792  ?       ?       ?              ?        
1 1 1 9   17  1  o 85.254  3.1472  975.775   71.866    0.0000    0.0000    975.775   71.866    ?       ?       85.254  3.1472  ?              ?        
1 1 1 9   17  2  o 138.746 4.1802  2590.40   155.349   0.0000    0.0000    2590.40   155.349   ?       ?       138.746 4.1802  ?              ?        
1 1 1 9   17  3  o 172.680 4.9691  4023.40   229.831   0.0000    0.0000    4023.40   229.831   ?       ?       172.680 4.9691  ?              ?        
1 1 1 9   17  4  o 73.546  2.5429  733.861   47.718    710.940   79.693    746.673   59.580    72.536  4.1188  74.556  2.9835  -2.019684      5.085863 
1 1 1 9   17  5  o 47.486  1.9278  303.763   24.410    294.340   34.253    313.486   34.795    46.733  2.7485  48.239  2.7038  -1.505844      3.855521 
1 1 1 9   17  6  o 81.297  2.2267  888.964   48.487    885.124   68.508    892.817   68.633    81.121  3.1530  81.474  3.1451  -0.3526535     4.453366 
1 1 1 9   17  7  o 78.378  4.2155  832.377   88.172    832.377   88.172    0.0000    0.0000    78.378  4.2155  ?       ?       ?              ?        
1 1 1 9   17  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   17  9  o 82.422  2.2508  916.479   49.655    878.179   70.269    954.681   70.178    80.689  3.2513  84.155  3.1134  -3.466042      4.501577 
1 1 1 9   17  10 o 16.427  2.5082  37.784    10.708    40.518    15.537    35.311    14.777    17.003  3.5273  15.850  3.5668  1.152577       5.016354 
1 1 1 9   17  11 o 51.337  2.0168  356.595   27.621    357.250   39.308    355.957   38.819    51.381  2.8677  51.293  2.8365  0.8752060E-01  4.033543 
1 1 1 9   17  12 o 38.775  1.9997  203.980   20.623    207.879   29.468    200.236   28.872    39.140  2.8300  38.411  2.8261  0.7295151      3.999488 
1 1 1 9   17  13 o 63.667  2.1001  548.156   35.811    555.659   50.971    540.844   50.323    64.097  2.9689  63.236  2.9711  0.8606796      4.200191 
1 1 1 9   17  14 o 51.679  2.0307  362.356   27.998    365.648   39.816    359.136   39.377    51.911  2.8748  51.446  2.8690  0.4644890      4.061482 
1 1 1 9   17  15 f 33.326  2.0686  151.982   18.133    174.241   25.882    130.523   25.413    35.788  2.7204  30.863  3.1169  4.925653       4.137100 
1 1 1 9   17  16 o 36.898  2.0680  185.790   20.248    197.333   28.948    174.731   28.333    38.042  2.8620  35.755  2.9858  2.286430       4.135911 
1 1 1 9   17  17 o 18.987  2.6201  51.157    12.837    47.272    18.298    54.923    18.013    18.220  3.8689  19.753  3.5343  -1.532827      5.240205 
1 1 1 9   17  18 o 49.655  2.0908  337.082   27.672    348.980   39.618    325.749   38.667    50.519  2.9406  48.792  2.9729  1.727016       4.181529 
1 1 1 9   17  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   17  20 o 46.051  2.1230  292.735   25.986    273.836   36.951    311.228   36.553    44.521  3.1183  47.580  2.8818  -3.059105      4.245980 
1 1 1 9   17  21 o 31.929  2.2443  142.278   18.920    135.642   26.741    148.930   26.774    31.145  3.2536  32.713  3.0922  -1.568691      4.488616 
1 1 1 9   17  22 o 25.317  2.5702  93.127    16.316    120.629   23.204    66.226    22.949    29.390  2.9891  21.244  4.1820  8.146671       5.140417 
1 1 1 9   17  23 o 24.578  2.5028  87.195    15.803    73.920    22.541    100.027   22.161    22.541  3.8730  26.616  3.1711  -4.075022      5.005591 
1 1 1 9   17  24 o 31.731  2.3465  142.794   19.645    142.764   27.984    142.824   27.585    31.714  3.3449  31.748  3.2918  -0.3441811E-01 4.692971 
1 1 1 9   17  25 o 12.411  2.9996  19.644    12.567    31.637    18.369    9.0927    17.229    14.560  4.3648  10.262  4.1157  4.298226       5.999242 
1 1 1 9   17  26 o 21.698  2.9056  71.001    16.163    52.556    22.616    90.256    23.107    18.464  4.5921  24.932  3.5613  -6.468414      5.811257 
1 1 1 9   17  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   17  28 o 20.719  2.9507  66.489    15.802    66.675    22.705    66.315    22.006    20.705  4.2368  20.732  4.1081  -0.2720833E-01 5.901498 
1 1 1 9   18  0  o 51.358  4.0642  357.217   55.452    357.217   55.452    0.0000    0.0000    51.358  4.0642  ?       ?       ?              ?        
1 1 1 9   18  1  o 57.124  2.7855  438.140   42.620    0.0000    0.0000    438.140   42.620    ?       ?       57.124  2.7855  ?              ?        
1 1 1 9   18  2  o 72.867  2.9522  713.358   57.619    0.0000    0.0000    713.358   57.619    ?       ?       72.867  2.9522  ?              ?        
1 1 1 9   18  3  o 42.514  2.6807  243.723   30.370    0.0000    0.0000    243.723   30.370    ?       ?       42.514  2.6807  ?              ?        
1 1 1 9   18  4  o ?       ?       608.050   72027.55  674.974   124751.40 574.585   88216.77  ?       ?       ?       ?       ?              ?        
1 1 1 9   18  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   18  6  o 63.156  2.0194  536.784   34.161    535.205   48.337    538.361   48.286    63.063  2.8617  63.250  2.8502  -0.1868744     4.038882 
1 1 1 9   18  7  o 80.982  2.2413  884.397   48.611    870.477   68.777    898.293   68.716    80.341  3.1961  81.624  3.1431  -1.282867      4.482591 
1 1 1 9   18  8  o 34.019  1.9876  157.079   17.929    149.046   25.337    165.136   25.374    33.130  2.8840  34.908  2.7358  -1.777840      3.975160 
1 1 1 9   18  9  o 54.266  2.0115  398.300   29.133    393.829   41.257    402.746   41.145    53.958  2.8649  54.575  2.8244  -0.6166573     4.023019 
1 1 1 9   18  10 o 17.416  2.4985  43.252    11.246    32.325    16.113    53.628    15.702    15.141  3.9365  19.690  3.0780  -4.548751      4.997025 
1 1 1 9   18  11 o 68.875  2.1539  642.478   39.672    602.417   56.199    682.272   56.011    66.710  3.1452  71.041  2.9436  -4.330948      4.307789 
1 1 1 9   18  12 f 11.171  2.4823  15.338    9.2782    2.2557    13.590    26.759    12.698    8.5704  3.5702  13.772  3.4497  -5.201728      4.964537 
1 1 1 9   18  13 o 56.857  2.0830  439.016   31.610    437.979   45.018    440.025   44.395    56.784  2.9702  56.930  2.9213  -0.1459770     4.166022 
1 1 1 9   18  14 o 51.274  2.0655  357.619   28.244    356.564   40.269    358.640   39.625    51.191  2.9493  51.356  2.8924  -0.1646347     4.130926 
1 1 1 9   18  15 o 46.067  2.0728  289.359   25.416    306.882   36.229    272.378   35.664    47.464  2.8631  44.669  2.9982  2.794697       4.145638 
1 1 1 9   18  16 o 22.779  2.4035  72.676    14.134    64.138    19.956    81.271    20.022    21.346  3.6197  24.212  3.1630  -2.865887      4.806948 
1 1 1 9   18  17 o 8.9282  3.7959  0.8867    15.863    0.8867    15.863    0.0000    0.0000    8.9282  3.7959  ?       ?       ?              ?        
1 1 1 9   18  18 o 23.714  2.5474  79.471    15.643    76.759    22.538    81.992    21.729    23.270  3.7431  24.159  3.4565  -0.8890610     5.094885 
1 1 1 9   18  19 o 10.279  2.7473  11.095    10.449    7.2875    15.542    14.235    14.116    9.7708  3.9124  10.786  3.8579  -1.015676      5.494586 
1 1 1 9   18  20 o 12.297  2.9051  20.047    11.520    27.037    16.358    13.170    16.226    13.706  4.1213  10.887  4.0955  2.819022       5.810235 
1 1 1 9   18  21 o 13.523  2.9180  24.619    12.249    39.396    18.074    12.065    16.659    16.319  4.1310  10.727  4.1224  5.592759       5.836024 
1 1 1 9   18  22 o 23.190  2.6210  77.627    15.653    88.699    22.587    67.396    21.714    24.907  3.4808  21.474  3.9196  3.433184       5.242076 
1 1 1 9   18  23 o 20.883  2.7719  64.602    14.848    50.684    20.954    78.637    21.042    18.366  4.3302  23.400  3.4617  -5.033966      5.543806 
1 1 1 9   18  24 o 30.976  2.4103  137.261   19.607    127.689   27.863    146.651   27.597    29.808  3.5603  32.143  3.2500  -2.335638      4.820596 
1 1 1 9   18  25 o 19.355  3.0333  56.821    15.712    81.949    22.952    34.659    21.555    23.625  3.7526  15.085  4.7667  8.540680       6.066523 
1 1 1 9   18  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   19  0  o 20.248  3.2815  56.547    17.188    0.0000    0.0000    56.547    17.188    ?       ?       20.248  3.2815  ?              ?        
1 1 1 9   19  1  o 108.384 3.5927  1582.42   104.298   0.0000    0.0000    1582.42   104.298   ?       ?       108.384 3.5927  ?              ?        
1 1 1 9   19  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   19  3  o 75.650  3.0500  770.443   61.801    0.0000    0.0000    770.443   61.801    ?       ?       75.650  3.0500  ?              ?        
1 1 1 9   19  4  o 56.965  1.9820  437.356   30.176    421.410   42.549    453.492   42.803    55.879  2.8523  58.052  2.7528  -2.172535      3.964055 
1 1 1 9   19  5  o 13.035  2.4850  23.224    9.5516    35.646    13.452    10.593    13.565    15.969  3.2554  10.102  3.7554  5.867425       4.969993 
1 1 1 9   19  6  o 89.563  2.3307  1083.76   55.903    1101.12   78.928    1066.28   79.191    90.290  3.2636  88.836  3.3281  1.454742       4.661305 
1 1 1 9   19  7  o 73.753  2.1536  734.730   42.513    700.317   59.955    769.531   60.292    72.003  3.1088  75.503  2.9813  -3.500214      4.307266 
1 1 1 9   19  8  o 48.692  1.9851  321.069   25.774    328.716   36.464    313.435   36.435    49.279  2.7738  48.104  2.8404  1.175201       3.970119 
1 1 1 9   19  9  o 67.176  2.1121  610.205   37.996    596.983   53.685    623.476   53.785    66.440  3.0167  67.911  2.9569  -1.471199      4.224165 
1 1 1 9   19  10 o 35.456  2.0274  171.035   19.087    174.239   27.142    167.900   26.848    35.789  2.8552  35.123  2.8791  0.6655350      4.054807 
1 1 1 9   19  11 o 16.841  2.5216  40.662    11.298    61.036    16.192    21.329    15.773    21.032  2.9558  12.649  4.0862  8.383429       5.043148 
1 1 1 9   19  12 o 53.266  2.0777  386.170   29.487    365.473   41.860    406.554   41.542    51.818  3.0292  54.713  2.8445  -2.894531      4.155391 
1 1 1 9   19  13 o 37.612  2.0720  193.089   20.702    199.976   29.554    186.455   29.007    38.281  2.9040  36.944  2.9561  1.336884       4.143907 
1 1 1 9   19  14 o 29.816  2.2037  122.361   17.337    123.631   24.757    121.139   24.286    29.965  3.1307  29.666  3.1023  0.2992344      4.407471 
1 1 1 9   19  15 o 19.660  2.6279  54.808    13.306    63.454    19.181    46.788    18.474    21.244  3.4923  18.077  3.9277  3.166945       5.255771 
1 1 1 9   19  16 o 48.181  3.9219  324.078   50.174    0.0000    0.0000    324.078   50.174    ?       ?       48.181  3.9219  ?              ?        
1 1 1 9   19  17 o 17.933  2.7956  47.620    13.234    32.151    19.148    61.766    18.310    14.956  4.4503  20.911  3.3848  -5.955261      5.591259 
1 1 1 9   19  18 o 28.769  2.3390  116.193   17.572    131.021   25.038    101.800   24.668    30.683  3.0885  26.856  3.5136  3.826696       4.678074 
1 1 1 9   19  19 o 18.421  2.8894  50.466    13.951    39.898    20.183    60.134    19.305    16.403  4.4713  20.439  3.6608  -4.035936      5.778783 
1 1 1 9   19  20 o 36.913  2.2495  190.822   22.014    197.218   31.704    184.868   30.591    37.512  3.1856  36.315  3.1769  1.196609       4.498960 
1 1 1 9   19  21 o 24.652  2.6498  88.164    16.853    79.795    24.133    96.131    23.545    23.363  4.0003  25.940  3.4762  -2.576841      5.299672 
1 1 1 9   19  22 o 26.846  2.5771  103.795   18.046    101.560   25.604    106.001   25.438    26.525  3.7050  27.168  3.5832  -0.6432953     5.154203 
1 1 1 9   19  23 o 26.124  2.6741  99.592    18.114    93.883    25.964    105.005   25.283    25.281  3.9646  26.967  3.5895  -1.685369      5.348133 
1 1 1 9   19  24 f 22.999  4.0377  78.950    23.966    78.950    23.966    0.0000    0.0000    22.999  4.0377  ?       ?       ?              ?        
1 1 1 9   19  25 o 10.240  2.9052  8.7055    12.535    16.897    17.646    0.3605    17.810    11.449  4.2780  9.0307  3.9320  2.418564       5.810463 
1 1 1 9   20  0  o 52.244  2.7132  368.049   37.837    0.0000    0.0000    368.049   37.837    ?       ?       52.244  2.7132  ?              ?        
1 1 1 9   20  1  o 85.509  3.1674  985.378   72.544    0.0000    0.0000    985.378   72.544    ?       ?       85.509  3.1674  ?              ?        
1 1 1 9   20  2  o 65.521  2.8838  578.252   50.610    0.0000    0.0000    578.252   50.610    ?       ?       65.521  2.8838  ?              ?        
1 1 1 9   20  3  o 66.356  2.0653  593.694   36.697    606.872   51.734    580.348   52.062    67.104  2.8783  65.609  2.9626  1.495094       4.130597 
1 1 1 9   20  4  o 32.388  1.9421  142.369   16.689    140.848   23.498    143.917   23.706    32.212  2.7498  32.565  2.7434  -0.3526230     3.884283 
1 1 1 9   20  5  o 55.593  2.0021  418.038   29.713    421.283   41.994    414.784   42.049    55.812  2.8182  55.374  2.8446  0.4382095      4.004287 
1 1 1 9   20  6  o 47.192  1.9765  301.705   24.848    318.130   35.299    285.572   34.983    48.482  2.7294  45.902  2.8596  2.579910       3.953077 
1 1 1 9   20  7  o 6.2879  2.0065  -5.4472   7.1878    -3.8931   10.091    -7.0476   10.240    6.4765  2.8836  6.0993  2.7910  0.3771515      4.013075 
1 1 1 9   20  8  o 59.476  2.0575  478.443   32.776    473.806   46.311    483.096   46.394    59.185  2.9214  59.767  2.8981  -0.5821266     4.114996 
1 1 1 9   20  9  o 27.069  2.1479  100.452   15.293    105.258   21.832    95.822    21.430    27.723  2.9874  26.416  3.0869  1.306684       4.295725 
1 1 1 9   20  10 f 45.585  2.0284  282.664   24.627    293.047   34.828    272.283   34.826    46.439  2.8133  44.732  2.9228  1.707428       4.056754 
1 1 1 9   20  11 o 30.640  2.1436  128.714   17.358    131.870   24.609    125.590   24.487    31.025  2.9988  30.255  3.0640  0.7698383      4.287289 
1 1 1 9   20  12 o 30.019  2.2055  123.848   17.433    134.971   25.082    113.453   24.247    31.358  3.0237  28.679  3.2116  2.679049       4.411055 
1 1 1 9   20  13 o 34.615  2.1653  164.630   19.867    167.321   28.239    161.993   27.956    34.900  3.0516  34.330  3.0728  0.5701180      4.330611 
1 1 1 9   20  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   20  15 o 36.537  2.2083  184.597   21.389    179.136   30.440    189.922   30.061    35.974  3.1923  37.100  3.0522  -1.125511      4.416635 
1 1 1 9   20  16 o 28.712  2.3111  115.162   17.455    113.401   24.534    116.967   24.839    28.484  3.2753  28.939  3.2614  -0.4544334     4.622157 
1 1 1 9   20  17 o 18.872  2.8590  52.064    14.025    47.607    19.850    56.506    19.818    17.999  4.1950  19.746  3.8856  -1.746649      5.718013 
1 1 1 9   20  18 o 20.216  2.8211  59.704    14.715    72.271    21.219    48.061    20.425    22.430  3.6579  18.001  4.2959  4.428795       5.642241 
1 1 1 9   20  19 o 27.877  2.4623  110.603   17.960    104.353   25.272    116.981   25.528    27.025  3.5794  28.728  3.3824  -1.702639      4.924657 
1 1 1 9   20  20 o 14.952  2.9247  32.458    13.034    15.987    18.358    49.197    18.508    11.627  4.3597  18.276  3.8997  -6.648331      5.849361 
1 1 1 9   20  21 o 33.041  2.3701  154.787   20.659    165.141   29.823    145.235   28.645    34.137  3.3030  31.944  3.4001  2.192610       4.740266 
1 1 1 9   20  22 o 32.210  2.4928  149.703   21.020    163.851   29.456    135.023   30.004    33.924  3.2828  30.496  3.7524  3.428520       4.985695 
1 1 1 9   20  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   21  0  o 60.436  2.8124  492.152   45.527    0.0000    0.0000    492.152   45.527    ?       ?       60.436  2.8124  ?              ?        
1 1 1 9   21  1  o 98.449  3.4127  1310.69   89.989    0.0000    0.0000    1310.69   89.989    ?       ?       98.449  3.4127  ?              ?        
1 1 1 9   21  2  o 65.738  2.4226  585.574   40.913    587.028   67.833    584.743   51.293    65.651  3.8747  65.825  2.9092  -0.1741638     4.845289 
1 1 1 9   21  3  o 59.625  2.0053  479.757   32.004    456.263   44.897    504.027   45.633    58.133  2.8834  61.116  2.7876  -2.983223      4.010589 
1 1 1 9   21  4  o 48.769  1.9564  322.060   25.422    302.488   35.662    342.282   36.250    47.245  2.8312  50.292  2.7009  -3.047409      3.912882 
1 1 1 9   21  5  o 54.440  2.0070  401.527   29.163    399.038   41.148    404.040   41.340    54.270  2.8406  54.611  2.8359  -0.3410301     4.013924 
1 1 1 9   21  6  o 61.563  2.0695  513.841   33.989    473.442   47.866    554.927   48.271    59.058  3.0362  64.069  2.8129  -5.011257      4.138952 
1 1 1 9   21  7  o 42.366  2.0183  243.938   22.745    258.567   32.431    229.778   31.907    43.635  2.7895  41.096  2.9176  2.538658       4.036527 
1 1 1 9   21  8  f 34.239  2.0453  160.100   18.548    170.534   26.242    149.685   26.219    35.384  2.7915  33.094  2.9902  2.289951       4.090697 
1 1 1 9   21  9  o 27.933  2.1820  107.372   16.027    104.896   23.124    109.660   22.232    27.595  3.1872  28.270  2.9810  -0.6752434     4.364012 
1 1 1 9   21  10 o 23.452  2.3890  76.866    14.434    88.774    20.527    65.220    20.300    25.360  3.0855  21.544  3.6482  3.816853       4.778027 
1 1 1 9   21  11 o 58.804  2.1358  471.977   33.568    485.439   47.567    458.622   47.378    59.693  2.9750  57.915  3.0651  1.778473       4.271506 
1 1 1 9   21  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   21  13 o 23.042  2.5208  74.902    15.044    74.424    21.639    75.349    20.931    22.944  3.6428  23.139  3.4852  -0.1951809     5.041506 
1 1 1 9   21  14 o 35.530  2.1804  174.769   20.540    179.432   29.165    170.180   28.931    36.015  3.0521  35.044  3.1147  0.9703331      4.360798 
1 1 1 9   21  15 o 9.6594  2.6459  5.4461    10.727    -7.5326   15.341    17.859    15.004    7.6744  3.4742  11.644  3.9915  -3.969972      5.291733 
1 1 1 9   21  16 o 12.153  2.8691  19.589    11.102    25.766    16.272    14.210    15.185    13.408  4.1268  10.898  3.9870  2.509526       5.738142 
1 1 1 9   21  17 o 19.820  2.8631  57.785    14.686    51.192    20.749    64.404    20.789    18.576  4.2607  21.064  3.8256  -2.487440      5.726173 
1 1 1 9   21  18 o 19.720  2.8941  58.641    15.394    94.046    22.203    25.871    21.361    25.748  3.2951  13.691  4.7587  12.05676       5.788191 
1 1 1 9   21  19 o 9.3982  2.6883  4.7670    10.967    -4.0959   15.631    13.361    15.392    8.0929  3.5968  10.704  3.9962  -2.610662      5.376501 
1 1 1 9   21  20 o 9.2608  2.7545  1.5683    11.984    -6.9810   16.774    10.483    17.129    8.0559  3.6412  10.466  4.1341  -2.409791      5.508991 
1 1 1 9   21  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   21  22 o 30.050  2.6108  133.124   20.438    120.810   29.241    144.884   28.577    28.497  3.9361  31.604  3.4310  -3.107197      5.221526 
1 1 1 9   22  0  o 32.146  2.7835  140.472   23.730    0.0000    0.0000    140.472   23.730    ?       ?       32.146  2.7835  ?              ?        
1 1 1 9   22  1  o 78.104  2.6085  837.381   51.944    803.145   86.588    856.628   64.924    76.616  4.2358  79.593  3.0454  -2.977287      5.216976 
1 1 1 9   22  2  o 81.101  2.2149  890.444   48.107    895.605   67.607    885.151   68.470    81.347  3.1029  80.855  3.1616  0.4923096      4.429818 
1 1 1 9   22  3  o 21.381  2.3139  63.424    12.812    61.574    18.435    65.152    17.817    21.049  3.3846  21.713  3.1561  -0.6640778     4.627759 
1 1 1 9   22  4  f 57.243  2.0068  443.681   30.703    426.630   43.097    461.254   43.751    56.082  2.8787  58.404  2.7967  -2.321941      4.013553 
1 1 1 9   22  5  o 46.855  1.9849  298.549   24.749    317.509   34.896    279.359   35.107    48.382  2.7036  45.327  2.9070  3.054996       3.969867 
1 1 1 9   22  6  o 81.554  2.2781  904.102   49.761    895.429   70.191    912.867   70.557    81.158  3.2290  81.950  3.2144  -0.7919159     4.556162 
1 1 1 9   22  7  o 34.698  2.0926  165.055   19.177    148.756   27.158    181.262   27.082    32.935  3.1156  36.461  2.7944  -3.526142      4.185148 
1 1 1 9   22  8  o 44.409  2.0499  269.246   24.236    261.038   34.444    277.294   34.107    43.718  2.9589  45.099  2.8380  -1.381088      4.099864 
1 1 1 9   22  9  o 45.613  2.9819  284.631   36.231    284.631   36.231    0.0000    0.0000    45.613  2.9819  ?       ?       ?              ?        
1 1 1 9   22  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   22  11 o 20.205  2.7079  59.100    14.028    45.877    20.019    71.854    19.662    17.779  4.2598  22.632  3.3442  -4.853064      5.415732 
1 1 1 9   22  12 o 15.545  2.9565  35.042    12.588    37.397    18.024    32.799    17.588    16.036  4.1606  15.055  4.2016  0.9809132      5.913099 
1 1 1 9   22  13 o 26.917  2.4056  102.056   16.903    110.244   23.937    93.911    23.872    28.068  3.2437  25.767  3.5534  2.300751       4.811293 
1 1 1 9   22  14 o 27.981  2.3702  110.271   17.403    110.434   24.977    110.116   24.261    27.981  3.4026  27.981  3.3006  -0.3852844E-03 4.740419 
1 1 1 9   22  15 f 18.808  2.8662  52.198    14.098    39.398    19.739    65.525    20.141    16.282  4.4150  21.333  3.6563  -5.051596      5.732446 
1 1 1 9   22  16 o 13.557  3.0588  25.955    12.770    18.902    17.904    33.257    18.219    12.117  4.3437  14.997  4.3079  -2.879332      6.117675 
1 1 1 9   22  17 o 23.387  2.6688  79.203    16.146    80.878    22.932    77.557    22.737    23.650  3.7450  23.124  3.8033  0.5258713      5.337591 
1 1 1 9   22  18 o 21.329  2.9542  67.426    16.264    60.708    22.618    74.621    23.405    20.135  4.3230  22.523  4.0275  -2.387362      5.908459 
1 1 1 9   22  19 o 27.457  2.6610  109.660   19.036    104.372   26.785    115.057   27.060    26.728  3.8528  28.186  3.6714  -1.458044      5.321980 
1 1 1 9   22  20 o 11.292  4.3621  14.587    18.723    0.0000    0.0000    14.587    18.723    ?       ?       11.292  4.3621  ?              ?        
1 1 1 9   23  0  o 60.931  2.3976  504.776   37.605    505.211   61.952    504.522   47.320    60.784  3.8247  61.078  2.8925  -0.2932129     4.795295 
1 1 1 9   23  1  o 95.330  2.4148  1234.86   61.648    1247.29   86.667    1222.13   87.710    95.831  3.3765  94.829  3.4532  1.001816       4.829600 
1 1 1 9   23  2  o 39.409  1.9790  211.462   20.701    228.230   29.305    194.762   29.247    41.002  2.6832  37.816  2.9098  3.185951       3.958069 
1 1 1 9   23  3  o 26.977  2.1776  100.046   15.438    104.521   21.833    95.570    21.832    27.605  3.0011  26.349  3.1562  1.256269       4.355269 
1 1 1 9   23  4  o 61.173  2.0639  507.645   33.816    503.039   47.671    512.310   47.978    60.892  2.9228  61.453  2.9148  -0.5607452     4.127829 
1 1 1 9   23  5  o 105.386 2.5692  1519.89   72.509    1479.48   102.075   1561.04   103.017   103.952 3.6660  106.820 3.6006  -2.867874      5.138474 
1 1 1 9   23  6  o 14.128  2.8191  28.222    11.172    25.067    15.737    31.428    15.863    13.409  4.0446  14.846  3.9281  -1.437392      5.638130 
1 1 1 9   23  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   23  8  o 42.418  2.1168  246.974   23.889    243.103   33.972    250.761   33.600    42.073  3.0349  42.762  2.9516  -0.6890373     4.233530 
1 1 1 9   23  9  o 24.679  2.5033  86.341    15.820    70.279    22.374    102.399   22.371    22.201  3.9051  27.157  3.1330  -4.956133      5.006584 
1 1 1 9   23  10 o 6.7570  2.1331  -11.4083  8.8014    -27.4946  12.618    3.8325    12.282    5.1274  2.5316  8.3865  3.4338  -3.259099      4.266199 
1 1 1 9   23  11 o 9.0528  2.5909  3.1187    10.200    12.510    14.860    -5.2478   14.026    10.554  3.9292  7.5515  3.3781  3.002530       5.181746 
1 1 1 9   23  12 o 9.0313  2.6550  3.3169    10.658    0.0991    14.880    6.7069    15.273    8.4812  3.6428  9.5813  3.8636  -1.100045      5.310081 
1 1 1 9   23  13 f 22.680  2.6616  74.409    15.363    56.578    21.321    93.664    22.156    19.604  4.1876  25.756  3.2865  -6.151445      5.323249 
1 1 1 9   23  14 o 10.474  2.7257  9.0296    11.261    -5.6149   15.877    23.852    15.973    8.0074  3.5872  12.941  4.1048  -4.934081      5.451373 
1 1 1 9   23  15 o 48.889  2.2658  335.369   29.410    364.629   41.611    306.161   41.574    51.131  3.0522  46.648  3.3496  4.482555       4.531678 
1 1 1 9   23  16 o 11.525  2.8652  14.905    12.189    28.785    16.778    -0.6073   17.738    13.990  4.1665  9.0592  3.9341  4.930758       5.730374 
1 1 1 9   23  17 o 23.824  2.9418  84.923    17.748    112.528   25.548    59.175    24.674    28.010  3.4803  19.638  4.7439  8.371487       5.883646 
1 1 1 9   23  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   23  19 f 17.337  3.2832  47.194    15.713    56.112    22.486    38.683    21.966    18.978  4.4932  15.695  4.7886  3.283226       6.566491 
1 1 1 9   24  0  o 32.263  2.0835  142.261   17.806    142.683   25.261    141.845   25.103    32.310  2.9515  32.216  2.9416  0.9357834E-01  4.167091 
1 1 1 9   24  1  f 38.849  2.0019  205.726   20.671    214.924   29.261    196.562   29.207    39.735  2.7665  37.962  2.8942  1.773079       4.003734 
1 1 1 9   24  2  o 11.288  2.7140  15.749    9.8510    11.898    13.245    20.516    14.736    10.242  3.7272  12.333  3.9460  -2.091043      5.427961 
1 1 1 9   24  3  o 33.929  2.0679  157.620   18.606    158.117   26.134    157.110   26.496    33.990  2.8983  33.867  2.9503  0.1221313      4.135745 
1 1 1 9   24  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   24  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   24  6  o 36.517  2.1220  183.686   20.510    167.745   28.899    199.864   29.113    34.867  3.1276  38.167  2.8688  -3.299484      4.244094 
1 1 1 9   24  7  o 19.213  2.7368  53.254    13.592    43.014    19.143    63.664    19.302    17.211  4.1914  21.214  3.5203  -4.002979      5.473560 
1 1 1 9   24  8  o 8.8893  2.6277  2.8124    10.464    2.9212    14.855    2.7053    14.741    8.9207  3.7258  8.8578  3.7066  0.6282806E-01  5.255497 
1 1 1 9   24  9  o 40.715  2.1981  230.726   23.636    202.982   33.446    258.404   33.406    38.158  3.3050  43.272  2.8990  -5.114395      4.396263 
1 1 1 9   24  10 o 38.884  2.1845  210.198   22.559    216.417   32.165    204.178   31.647    39.464  3.0670  38.305  3.1114  1.158665       4.368947 
1 1 1 9   24  11 o 34.672  2.2213  168.000   20.403    167.588   28.671    168.423   29.042    34.636  3.1241  34.708  3.1586  -0.7146454E-01 4.442574 
1 1 1 9   24  12 o 12.597  2.9370  20.772    12.186    9.4507    17.155    32.303    17.312    10.383  4.1259  14.811  4.1810  -4.428299      5.873954 
1 1 1 9   24  13 o 10.319  2.7707  7.0551    11.415    -5.1338   15.242    22.621    17.225    7.8780  3.5230  12.760  4.2773  -4.882010      5.541369 
1 1 1 9   24  14 o 43.318  2.3158  264.488   26.530    234.367   37.292    295.353   37.750    40.688  3.4545  45.949  3.0852  -5.260494      4.631597 
1 1 1 9   24  15 o 27.484  2.6890  109.776   19.098    94.791    26.823    125.185   27.199    25.395  4.0817  29.573  3.5018  -4.178238      5.377989 
1 1 1 9   24  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   24  17 o 19.187  3.1040  57.087    15.683    65.941    21.907    47.779    22.461    20.918  4.0564  17.456  4.6996  3.462063       6.208097 
1 1 1 9   25  0  o 34.074  2.1140  159.494   19.050    168.467   26.643    150.107   27.249    35.097  2.8590  33.051  3.1149  2.046204       4.228014 
1 1 1 9   25  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   25  2  o 25.626  4.4509  93.891    29.442    0.0000    0.0000    93.891    29.442    ?       ?       25.626  4.4509  ?              ?        
1 1 1 9   25  3  o 23.724  2.3855  78.732    14.724    81.595    20.905    75.914    20.741    24.176  3.3157  23.271  3.4305  0.9048424      4.770988 
1 1 1 9   25  4  o 22.049  2.5722  69.204    14.570    77.724    20.432    60.390    20.782    23.558  3.3310  20.540  3.9204  3.017450       5.144442 
1 1 1 9   25  5  o 36.074  2.1612  179.820   20.683    179.071   28.990    180.596   29.518    36.005  3.0343  36.143  3.0785  -0.1380653     4.322480 
1 1 1 9   25  6  o 18.469  2.7430  49.409    13.144    43.814    18.592    55.000    18.585    17.344  4.0719  19.594  3.6763  -2.249939      5.485965 
1 1 1 9   25  7  o 19.412  2.7386  54.899    13.729    40.723    19.200    69.728    19.637    16.645  4.2820  22.178  3.4154  -5.532831      5.477263 
1 1 1 9   25  8  o 10.373  2.8013  10.416    11.062    4.5264    15.452    16.608    15.844    9.2723  3.8301  11.474  4.0890  -2.201428      5.602690 
1 1 1 9   25  9  o 49.048  2.1760  334.578   28.440    332.577   40.432    336.538   40.011    48.887  3.1038  49.209  3.0506  -0.3224411     4.352022 
1 1 1 9   25  10 o 54.113  2.2591  409.179   32.493    370.883   45.646    448.519   46.264    51.441  3.3308  56.785  3.0529  -5.344398      4.518258 
1 1 1 9   25  11 f 45.425  2.2374  288.670   27.042    280.030   38.204    297.347   38.283    44.711  3.2115  46.138  3.1161  -1.426250      4.474778 
1 1 1 9   25  12 o 17.692  2.7050  44.579    14.101    9.7209    19.137    85.985    20.858    10.768  4.3309  24.616  3.2423  -13.84818      5.410083 
1 1 1 9   25  13 o 26.951  2.6870  105.794   18.649    121.474   26.362    90.088    26.385    29.169  3.4404  24.732  4.1284  4.436966       5.374019 
1 1 1 9   25  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   25  15 o 10.529  2.9540  9.3777    12.801    18.437    18.407    0.8906    17.815    11.898  4.3840  9.1608  3.9604  2.737072       5.908008 
1 1 1 9   26  0  o 51.245  2.0847  359.801   28.481    345.644   39.968    374.406   40.596    50.203  2.9858  52.287  2.9102  -2.083748      4.169446 
1 1 1 9   26  1  o 12.927  2.9385  22.091    12.385    33.401    16.881    8.9066    18.226    15.216  4.0648  10.637  4.2446  4.578509       5.876985 
1 1 1 9   26  2  o 30.246  2.2219  126.979   17.737    128.539   25.130    125.431   25.037    30.438  3.1269  30.054  3.1575  0.3839493      4.443742 
1 1 1 9   26  3  o 18.829  2.6986  50.929    13.171    35.289    18.026    68.845    19.293    15.571  4.2178  22.087  3.3676  -6.516665      5.397298 
1 1 1 9   26  4  o 24.675  2.4403  86.011    15.654    86.246    21.503    85.746    22.834    24.755  3.3272  24.594  3.5707  0.1606369      4.880586 
1 1 1 9   26  5  o 41.879  2.1330  242.926   23.743    228.928   33.066    257.825   34.115    40.607  3.0627  43.150  2.9698  -2.543396      4.266087 
1 1 1 9   26  6  o 23.828  2.5900  81.075    15.975    74.893    22.139    87.792    23.074    22.829  3.7509  24.828  3.5727  -1.998823      5.180099 
1 1 1 9   26  7  o 22.265  2.6442  71.436    15.210    71.438    21.541    71.435    21.481    22.263  3.7453  22.268  3.7337  -0.4219055E-02 5.288483 
1 1 1 9   26  8  o 39.229  2.2218  215.253   23.140    208.313   32.703    222.211   32.746    38.565  3.1948  39.894  3.0886  -1.329197      4.443662 
1 1 1 9   26  9  o 23.834  2.7606  84.527    16.506    107.913   23.037    59.858    23.660    27.678  3.1643  19.990  4.5244  7.687450       5.521128 
1 1 1 9   26  10 o 33.614  2.4282  160.693   21.409    179.580   30.323    141.921   30.231    35.725  3.2029  31.502  3.6505  4.223715       4.856451 
1 1 1 9   26  11 o 41.974  2.3056  248.316   25.662    227.632   35.616    270.647   37.007    40.093  3.3471  43.856  3.1718  -3.762928      4.611244 
1 1 1 9   26  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   26  13 o 17.412  3.1491  46.955    15.022    58.366    21.206    35.462    21.283    19.631  4.1622  15.192  4.7269  4.438849       6.298196 
1 1 1 9   27  0  o 16.437  2.9580  38.795    13.335    27.131    18.190    52.345    19.606    13.864  4.3786  19.010  3.9783  -5.145910      5.915978 
1 1 1 9   27  1  o 39.837  2.1431  219.823   22.690    213.874   31.965    225.864   32.213    39.277  3.0627  40.396  2.9985  -1.119621      4.286141 
1 1 1 9   27  2  o 36.483  2.2277  185.417   21.551    187.607   30.312    183.179   30.647    36.719  3.1112  36.246  3.1892  0.4729614      4.455440 
1 1 1 9   27  3  f 59.595  2.1505  492.008   34.240    508.363   48.247    475.412   48.600    60.675  2.9687  58.515  3.1120  2.159809       4.300937 
1 1 1 9   27  4  o 11.268  2.9034  15.272    11.360    12.975    15.430    17.990    16.785    10.693  3.9994  11.844  4.2100  -1.151111      5.806832 
1 1 1 9   27  5  o 33.975  2.2829  162.306   20.474    170.439   28.595    153.749   29.330    34.922  3.0889  33.028  3.3623  1.893463       4.565744 
1 1 1 9   27  6  o 35.257  2.2776  174.586   21.249    165.953   29.979    183.302   30.122    34.335  3.3005  36.180  3.1394  -1.844959      4.555174 
1 1 1 9   27  7  o 19.589  3.0562  57.082    15.628    50.552    21.827    63.950    22.385    18.355  4.4792  20.823  4.1591  -2.467674      6.112339 
1 1 1 9   27  8  o 7.7881  2.4736  -5.7701   10.756    -7.3129   15.037    -4.1540   15.390    7.5558  3.4282  8.0205  3.5667  -0.4647045     4.947105 
1 1 1 9   27  9  o 18.012  4.3342  48.918    20.657    48.918    20.657    0.0000    0.0000    18.012  4.3342  ?       ?       ?              ?        
1 1 1 9   27  10 o 11.928  4.4096  18.045    18.650    0.0000    0.0000    18.045    18.650    ?       ?       11.928  4.4096  ?              ?        
1 1 1 9   27  11 o 15.045  2.9824  32.391    14.301    8.8111    19.994    57.089    20.463    10.637  4.3712  19.453  4.0586  -8.816364      5.964846 
1 1 1 9   28  0  o 38.893  2.1476  210.038   22.140    191.399   30.670    230.321   31.994    37.045  3.1201  40.741  2.9520  -3.696201      4.295230 
1 1 1 9   28  1  o 27.885  2.4003  110.009   17.534    111.182   24.294    108.734   25.333    28.085  3.2920  27.685  3.4941  0.4001522      4.800598 
1 1 1 9   28  2  o 21.361  2.8198  66.497    15.535    64.075    21.621    69.083    22.336    20.945  3.9998  21.777  3.9758  -0.8318539     5.639586 
1 1 1 9   28  3  o 22.678  2.7621  74.683    16.081    62.614    22.328    87.688    23.179    20.608  4.1878  24.747  3.6025  -4.139034      5.524108 
1 1 1 9   28  4  o 26.067  2.5312  97.154    17.190    96.935    23.813    97.393    24.841    26.072  3.4982  26.062  3.6593  0.1009941E-01  5.062381 
1 1 1 9   28  5  o 27.259  2.4460  106.051   17.425    110.317   24.365    101.585   24.929    27.888  3.3275  26.630  3.5861  1.258072       4.892089 
1 1 1 9   28  6  f 15.202  3.1536  33.684    14.007    23.506    19.099    45.528    20.604    13.032  4.5014  17.371  4.4180  -4.338542      6.307281 
1 1 1 9   28  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   28  8  o 10.603  2.8467  8.7232    12.622    24.396    17.198    -9.5759   18.583    12.974  4.2713  8.2323  3.7643  4.741492       5.693349 
1 1 1 9   28  9  o 6.5239  2.1784  -14.1342  9.9594    -10.1958  13.009    -19.7111  15.481    6.5655  3.0540  6.4822  3.1072  0.8329487E-01  4.356797 
1 1 1 9   29  0  o 48.811  2.1570  331.992   28.028    312.343   39.294    352.341   39.989    47.293  3.1195  50.330  2.9797  -3.036812      4.313908 
1 1 1 9   29  1  o 17.904  3.0169  48.207    14.367    56.243    19.873    39.409    20.794    19.591  3.9241  16.218  4.5835  3.372507       6.033860 
1 1 1 9   29  2  o 7.3886  2.3694  -5.7761   9.5396    -4.5133   11.552    -8.4837   16.915    6.8112  3.0550  7.9661  3.6227  -1.154893      4.738877 
1 1 1 9   29  3  o 10.988  3.0382  11.361    13.436    19.060    17.826    1.2325    20.446    12.088  4.3341  9.8886  4.2590  2.199068       6.076463 
1 1 1 9   29  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   29  5  o 40.235  2.2851  229.670   24.413    231.731   34.282    227.549   34.773    40.447  3.1903  40.022  3.2724  0.4246521      4.570216 
1 1 1 9   29  6  o 31.083  2.4588  139.536   20.114    143.578   28.566    135.562   28.325    31.560  3.4347  30.606  3.5194  0.9547749      4.917654 
1 1 1 9   30  0  o 30.413  3.3542  131.537   26.869    131.537   26.869    0.0000    0.0000    30.413  3.3542  ?       ?       ?              ?        
1 1 1 9   30  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 9   30  2  o 20.941  2.9371  65.365    15.873    58.717    21.717    72.989    23.257    19.735  4.2352  22.147  4.0706  -2.412218      5.874222 
1 1 1 9   30  3  o 20.724  3.1630  65.748    17.008    64.766    23.216    66.886    24.987    20.625  4.3398  20.823  4.6026  -0.1973267     6.325943 
1 1 1 9   31  0  o 9.4476  2.8581  2.1632    12.633    -0.4397   16.324    6.0502    19.949    8.6382  3.7626  10.257  4.3032  -1.618844      5.716161 
1 1 1 10  -37 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -37 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -37 14 o 13.117  5.0066  30.634    24.466    30.634    24.466    0.0000    0.0000    13.117  5.0066  ?       ?       ?              ?        
1 1 1 10  -37 15 o 8.8425  4.1075  -7.3534   23.402    -7.3534   23.402    0.0000    0.0000    8.8425  4.1075  ?       ?       ?              ?        
1 1 1 10  -37 16 o 14.760  3.5004  41.422    18.405    16.811    28.103    59.906    24.355    11.548  4.9834  17.972  4.9170  -6.423986      7.000820 
1 1 1 10  -37 17 f 9.4153  2.9778  -0.8771   14.899    15.852    24.832    -10.2867  18.624    11.154  4.7459  7.6766  3.5980  3.477463       5.955619 
1 1 1 10  -37 18 o 15.772  3.2089  38.998    16.322    81.435    26.113    11.787    20.910    21.274  4.7074  10.270  4.3621  11.00356       6.417752 
1 1 1 10  -37 19 o 9.0443  2.8764  -1.3056   15.457    -22.0223  25.132    11.298    19.603    8.0670  3.8899  10.022  4.2382  -1.954631      5.752729 
1 1 1 10  -37 20 o 16.467  3.9032  57.271    21.154    39.545    29.247    76.718    30.633    13.841  5.4225  19.093  5.6157  -5.251428      7.806333 
1 1 1 10  -37 21 o 7.1538  3.5182  -32.9076  23.565    -32.9076  23.565    0.0000    0.0000    7.1538  3.5182  ?       ?       ?              ?        
1 1 1 10  -37 22 o 11.218  4.8617  18.722    26.977    18.722    26.977    0.0000    0.0000    11.218  4.8617  ?       ?       ?              ?        
1 1 1 10  -36 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -36 6  o 9.9202  4.3918  2.8498    23.084    2.8498    23.084    0.0000    0.0000    9.9202  4.3918  ?       ?       ?              ?        
1 1 1 10  -36 7  o 8.8252  2.7562  0.8070    12.679    -6.1871   21.052    4.7884    15.883    8.7330  3.9982  8.9175  3.7950  -0.1845188     5.512490 
1 1 1 10  -36 8  f 15.292  3.4095  39.000    15.507    50.193    24.288    31.297    20.149    16.879  5.0099  13.706  4.6259  3.173006       6.818933 
1 1 1 10  -36 9  o 28.806  2.8848  130.072   21.245    162.483   31.494    103.009   28.779    32.500  3.6829  25.111  4.4413  7.389093       5.769645 
1 1 1 10  -36 10 o 21.044  3.2001  72.815    17.714    100.003   26.278    50.168    23.983    25.134  4.0402  16.953  4.9638  8.181108       6.400169 
1 1 1 10  -36 11 o 13.286  3.3712  28.765    15.252    26.351    23.440    30.538    20.085    12.969  4.9124  13.603  4.6184  -0.6340675     6.742492 
1 1 1 10  -36 12 o 17.079  3.4758  50.271    16.647    54.452    25.310    47.084    22.101    17.570  5.0865  16.589  4.7384  0.9811649      6.951650 
1 1 1 10  -36 13 o 14.313  3.1899  34.720    15.345    12.821    23.906    50.067    20.013    11.191  4.7037  17.434  4.3101  -6.242650      6.379790 
1 1 1 10  -36 14 o 12.608  3.3596  24.407    15.195    25.898    24.431    23.466    19.405    12.913  4.9843  12.304  4.5061  0.6093922      6.719248 
1 1 1 10  -36 15 o 23.015  3.3465  88.387    19.860    100.803   29.947    78.639    26.534    24.478  4.7389  21.553  4.7264  2.924562       6.693022 
1 1 1 10  -36 16 o 26.228  3.0521  110.664   20.558    131.043   30.710    94.116    27.673    28.619  4.1254  23.837  4.4992  4.781410       6.104254 
1 1 1 10  -36 17 o 22.368  3.0922  79.323    17.686    111.354   27.915    57.844    22.859    26.354  4.0870  18.383  4.6416  7.970558       6.184462 
1 1 1 10  -36 18 o 22.596  3.3007  85.279    19.285    108.916   29.231    67.059    25.663    25.668  4.4106  19.525  4.9116  6.143158       6.601336 
1 1 1 10  -36 19 o 17.225  3.7993  55.039    19.347    64.614    29.402    47.727    25.693    18.394  5.5241  16.056  5.2176  2.338158       7.598623 
1 1 1 10  -36 20 o 13.367  3.6056  30.839    18.135    24.850    26.871    35.849    24.577    12.619  5.1120  14.115  5.0861  -1.496674      7.211173 
1 1 1 10  -36 21 o 12.008  3.2865  15.238    16.360    43.818    25.480    -4.8083   21.340    15.248  5.2017  8.7677  4.0182  6.480480       6.573011 
1 1 1 10  -36 22 o 25.507  3.3505  113.462   22.013    123.986   32.247    104.278   30.125    26.708  4.6781  24.305  4.7977  2.403198       6.700941 
1 1 1 10  -36 23 o 15.430  3.8534  46.960    19.758    57.723    30.246    38.948    26.095    16.644  5.6674  14.217  5.2227  2.427301       7.706883 
1 1 1 10  -36 24 o 8.2774  2.7624  -11.4793  15.726    -14.4524  25.069    -9.5502   20.194    8.5339  4.0523  8.0209  3.7553  0.5130081      5.524809 
1 1 1 10  -36 25 o 14.299  3.1446  35.798    18.007    -11.2537  27.973    69.093    23.531    9.0951  4.3076  19.502  4.5824  -10.40701      6.289161 
1 1 1 10  -36 26 o 10.021  3.1423  8.9606    16.523    6.4971    26.958    10.443    20.912    10.140  4.5965  9.9023  4.2859  0.2371922      6.284627 
1 1 1 10  -36 27 o 10.506  3.2210  13.115    17.694    -4.0276   27.248    25.615    23.267    9.2513  4.3412  11.761  4.7595  -2.509786      6.441945 
1 1 1 10  -36 28 f 16.218  4.5321  81.533    29.120    77.028    31.964    103.529   70.624    17.677  5.8233  14.760  6.9461  2.916654       9.064161 
1 1 1 10  -35 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -35 2  o 18.377  4.3902  62.667    22.910    61.276    25.228    69.214    54.720    18.930  4.9276  17.824  7.2672  1.105324       8.780317 
1 1 1 10  -35 3  o 10.928  3.0740  13.987    13.237    17.272    21.030    11.831    17.036    11.587  4.5795  10.270  4.1019  1.316521       6.147919 
1 1 1 10  -35 4  o 12.889  3.1771  24.469    13.340    33.664    21.181    18.424    17.174    14.344  4.7410  11.433  4.2305  2.911052       6.354120 
1 1 1 10  -35 5  o 26.998  2.7005  111.779   18.839    105.523   27.663    117.190   25.726    26.035  4.1028  27.961  3.5126  -1.925827      5.401018 
1 1 1 10  -35 6  o 31.637  2.5280  149.168   20.985    162.402   31.107    138.116   28.427    32.917  3.5863  30.357  3.5639  2.560001       5.055968 
1 1 1 10  -35 7  o 15.118  3.2437  36.108    14.177    45.155    22.137    29.817    18.459    16.525  4.7491  13.711  4.4194  2.814518       6.487317 
1 1 1 10  -35 8  f 26.253  2.8144  105.978   19.132    106.379   27.915    105.623   26.273    26.187  4.1156  26.319  3.8400  -0.1313648     5.628822 
1 1 1 10  -35 9  o 13.814  3.1896  31.023    14.225    17.938    23.305    38.792    17.959    12.023  4.7991  15.605  4.2028  -3.582001      6.379209 
1 1 1 10  -35 10 o 13.891  3.3414  29.277    14.890    40.346    23.085    21.393    19.484    15.586  4.9338  12.197  4.5075  3.389373       6.682778 
1 1 1 10  -35 11 o 16.056  3.3659  42.567    15.406    42.385    23.859    42.698    20.177    15.902  5.0139  16.209  4.4920  -0.3066788     6.731780 
1 1 1 10  -35 12 o 14.547  3.2881  34.808    14.682    27.842    22.971    39.621    19.091    13.433  4.9053  15.661  4.3800  -2.228442      6.576190 
1 1 1 10  -35 13 o 21.651  3.2341  75.000    18.180    94.088    27.181    59.549    24.455    24.385  4.3198  18.918  4.8142  5.466553       6.468163 
1 1 1 10  -35 14 o 25.644  2.9867  102.002   19.640    123.325   29.562    85.154    26.277    28.218  4.0253  23.069  4.4134  5.148855       5.973423 
1 1 1 10  -35 15 o 16.398  3.4667  43.039    16.635    62.589    26.091    29.649    21.593    19.176  5.0207  13.619  4.7816  5.557858       6.933337 
1 1 1 10  -35 16 o 18.049  3.3693  57.048    17.273    37.999    26.643    70.862    22.687    14.956  5.3054  21.141  4.1547  -6.184422      6.738643 
1 1 1 10  -35 17 o 27.704  2.8957  120.075   20.809    126.504   30.481    114.464   28.477    28.369  4.1330  27.040  4.0570  1.328588       5.791447 
1 1 1 10  -35 18 o 24.246  3.2004  95.476    19.811    133.565   29.292    63.368    26.894    29.438  3.8039  19.055  5.1478  10.38269       6.400729 
1 1 1 10  -35 19 o 11.309  3.2482  14.456    15.931    2.9488    24.326    23.097    21.080    10.230  4.5197  12.389  4.6666  -2.158863      6.496492 
1 1 1 10  -35 20 o 8.4395  2.5880  -6.1933   12.780    -39.4500  21.035    13.263    16.089    6.5852  3.2546  10.294  4.0248  -3.708765      5.176071 
1 1 1 10  -35 21 o 17.107  3.4257  48.973    16.948    71.137    25.875    32.319    22.430    20.376  4.8171  13.838  4.8722  6.538246       6.851477 
1 1 1 10  -35 22 o 19.967  3.4587  68.490    19.253    101.553   28.793    41.751    25.893    24.727  4.5136  15.207  5.2419  9.520481       6.917408 
1 1 1 10  -35 23 o 23.756  3.3587  96.455    20.538    98.080    30.610    95.125    27.697    23.676  4.9846  23.837  4.5030  -0.1614418     6.717396 
1 1 1 10  -35 24 o 13.112  3.4925  29.252    16.803    24.674    25.983    32.542    22.031    12.567  5.0493  13.656  4.8265  -1.088902      6.985025 
1 1 1 10  -35 25 o 25.613  3.3154  113.871   21.777    107.343   32.066    119.459   29.667    24.431  5.0663  26.794  4.2777  -2.363014      6.630709 
1 1 1 10  -35 26 o 10.046  3.1742  3.2176    17.132    12.884    27.015    -3.2846   22.157    11.114  4.8407  8.9778  4.1071  2.136230       6.348307 
1 1 1 10  -35 27 o 14.792  3.8157  43.156    19.677    54.893    29.713    33.987    26.261    16.168  5.6128  13.416  5.1706  2.752417       7.631480 
1 1 1 10  -35 28 o 11.709  3.4846  21.499    18.384    22.334    28.918    20.933    23.817    11.905  5.0948  11.512  4.7552  0.3927479      6.969137 
1 1 1 10  -35 29 o 9.5772  3.0698  3.4062    16.808    7.9437    25.732    0.0294    22.199    10.139  4.5527  9.0157  4.1194  1.122941       6.139697 
1 1 1 10  -35 30 o 14.198  3.7107  44.737    19.865    27.725    29.097    59.589    27.187    12.006  5.1235  16.391  5.3691  -4.384839      7.421440 
1 1 1 10  -35 31 o 11.354  3.4035  20.290    20.041    -8.5608   30.013    43.506    26.923    9.0771  4.3445  13.631  5.2403  -4.554086      6.806960 
1 1 1 10  -34 0  o 35.912  2.4082  189.971   22.784    212.520   32.903    169.199   31.580    38.110  3.2546  33.714  3.5505  4.395741       4.816444 
1 1 1 10  -34 1  o 12.587  2.7900  18.077    13.829    -15.8257  20.533    46.223    18.708    8.0098  3.7618  17.165  4.1213  -9.155009      5.579939 
1 1 1 10  -34 2  o 27.339  2.6593  111.819   18.881    125.225   27.593    100.018   25.890    28.986  3.6339  25.692  3.8835  3.294804       5.318547 
1 1 1 10  -34 3  o 10.628  2.7770  5.1596    11.825    31.929    19.151    -11.3373  15.034    14.252  4.4918  7.0050  3.2667  7.246814       5.554051 
1 1 1 10  -34 4  o 23.851  2.8882  86.266    17.395    120.111   25.965    58.707    23.430    28.550  3.4665  19.152  4.6206  9.398169       5.776331 
1 1 1 10  -34 5  o 30.083  2.4868  134.157   19.509    123.598   28.322    143.690   26.911    28.739  3.7703  31.427  3.2436  -2.688147      4.973559 
1 1 1 10  -34 6  o 19.605  3.0749  59.662    15.623    66.828    23.843    54.271    20.681    20.582  4.4542  18.628  4.2401  1.954304       6.149701 
1 1 1 10  -34 7  o 17.890  3.1734  51.648    15.284    43.622    22.737    58.265    20.644    16.380  4.8438  19.400  4.1013  -3.019268      6.346866 
1 1 1 10  -34 8  o 10.822  2.9220  9.8915    12.272    27.195    19.615    -1.2379   15.731    13.354  4.5640  8.2899  3.6499  5.064062       5.843973 
1 1 1 10  -34 9  o 14.417  3.3074  32.185    14.566    39.010    22.126    26.964    19.352    15.537  4.8172  13.297  4.5333  2.239867       6.614796 
1 1 1 10  -34 10 o 8.3952  2.6576  -4.1360   12.429    -14.7839  20.277    2.2722    15.730    8.0507  3.7673  8.7397  3.7494  -0.6890240     5.315108 
1 1 1 10  -34 11 o 54.850  2.2922  436.689   33.494    417.830   47.393    455.508   47.343    53.560  3.3199  56.139  3.1613  -2.578590      4.584316 
1 1 1 10  -34 12 o 23.182  3.0636  82.906    18.208    105.726   27.283    64.580    24.450    26.329  3.9942  20.035  4.6465  6.294106       6.127244 
1 1 1 10  -34 13 o 34.207  2.5135  173.462   22.689    176.385   32.468    170.673   31.718    34.479  3.5673  33.935  3.5418  0.5434799      5.026918 
1 1 1 10  -34 14 o 12.617  3.2807  23.040    14.435    22.228    22.727    23.589    18.689    12.645  4.8257  12.588  4.4459  0.5695152E-01  6.561460 
1 1 1 10  -34 15 o 22.437  3.2419  82.731    18.750    63.298    27.648    99.279    25.513    19.324  5.2189  25.549  3.8475  -6.224913      6.483819 
1 1 1 10  -34 16 o 19.132  3.1706  55.574    17.004    96.474    26.539    27.090    22.147    24.942  4.1160  13.321  4.8238  11.62153       6.341188 
1 1 1 10  -34 17 o 16.190  3.3984  39.880    16.863    67.683    26.116    20.000    22.084    20.195  4.8820  12.185  4.7289  8.010389       6.796754 
1 1 1 10  -34 18 o 21.455  3.3104  74.286    18.597    97.102    27.784    55.765    25.032    24.752  4.3495  18.159  4.9917  6.592867       6.620851 
1 1 1 10  -34 19 o 14.900  3.4957  37.146    16.439    31.640    24.229    41.842    22.378    14.003  5.0494  15.797  4.8357  -1.793473      6.991458 
1 1 1 10  -34 20 o 18.444  3.1680  52.844    17.037    93.881    26.143    22.553    22.461    24.403  4.1482  12.484  4.7894  11.91912       6.336093 
1 1 1 10  -34 21 o 9.0787  2.8605  -0.7410   13.826    -3.5528   22.336    1.0057    17.604    9.3050  4.2041  8.8523  3.8802  0.4526434      5.721041 
1 1 1 10  -34 22 o 15.295  3.4463  40.797    16.664    27.185    25.654    50.731    21.917    13.229  5.1071  17.362  4.6286  -4.133015      6.892509 
1 1 1 10  -34 23 o 18.660  3.2694  58.292    18.294    97.319    26.741    23.960    25.081    24.622  4.2058  12.698  5.0068  11.92404       6.538863 
1 1 1 10  -34 24 f 9.2686  2.9083  -1.0176   14.910    -14.3184  22.827    8.8786    19.690    8.4268  3.9604  10.110  4.2601  -1.683617      5.816682 
1 1 1 10  -34 25 o 25.513  3.3582  112.026   21.840    85.517    31.284    137.230   30.503    21.630  5.4129  29.396  3.9761  -7.766172      6.716314 
1 1 1 10  -34 26 o 15.700  3.4993  42.428    18.191    68.033    26.276    18.859    25.210    19.533  5.0008  11.867  4.8963  7.665860       6.998648 
1 1 1 10  -34 27 o 21.755  3.4905  84.175    19.889    78.532    28.586    89.469    27.691    20.744  5.1648  22.767  4.6969  -2.023121      6.981094 
1 1 1 10  -34 28 o 7.8140  2.6240  -21.0175  15.546    -42.4905  22.995    -2.9384   21.099    6.7589  3.3516  8.8691  4.0383  -2.110197      5.247902 
1 1 1 10  -34 29 f 20.799  3.7649  83.187    21.063    81.745    30.584    84.487    29.050    20.389  5.4817  21.210  5.1623  -0.8203068     7.529849 
1 1 1 10  -34 30 o 19.437  3.8156  76.800    21.096    61.864    30.351    90.760    29.342    16.981  5.6778  21.892  5.0989  -4.910973      7.631268 
1 1 1 10  -34 31 o 13.133  3.6544  33.762    18.924    42.034    27.855    26.671    25.789    14.100  5.3516  12.167  4.9779  1.933567       7.308846 
1 1 1 10  -34 32 o 15.940  3.7804  57.866    20.702    36.857    31.051    74.679    27.777    13.012  5.4065  18.869  5.2854  -5.856928      7.560779 
1 1 1 10  -34 33 o 9.0047  2.8625  -17.8424  17.604    -72.8933  25.927    29.250    23.980    6.0373  3.0634  11.972  4.8364  -5.934961      5.724988 
1 1 1 10  -33 0  o 27.288  2.6552  111.703   18.568    93.375    26.606    129.104   25.924    24.759  4.1595  29.818  3.3014  -5.058493      5.310396 
1 1 1 10  -33 1  o 39.758  2.2482  227.210   23.699    244.393   33.923    210.829   33.121    41.309  3.0883  38.206  3.2680  3.102459       4.496353 
1 1 1 10  -33 2  o 13.339  3.1187  26.893    13.397    17.609    20.321    34.030    17.817    11.864  4.5546  14.814  4.2615  -2.950526      6.237365 
1 1 1 10  -33 3  o 53.787  2.2000  413.686   31.555    416.961   45.066    410.537   44.198    53.975  3.1307  53.599  3.0917  0.3762016      4.400013 
1 1 1 10  -33 4  o 17.659  2.9945  47.543    14.210    63.998    21.148    33.997    19.188    20.536  3.9884  14.782  4.4679  5.754535       5.989051 
1 1 1 10  -33 5  o 17.604  3.0474  48.361    14.210    46.237    21.344    50.052    19.044    17.118  4.5696  18.090  4.0332  -0.9719658     6.094888 
1 1 1 10  -33 6  o 9.3622  2.7497  4.6612    11.826    -8.2797   19.482    12.213    14.883    8.4947  3.8726  10.230  3.9048  -1.734960      5.499496 
1 1 1 10  -33 7  o 11.504  3.0639  16.827    12.796    15.406    19.659    17.872    16.855    11.464  4.4582  11.544  4.2040  -0.7965088E-01 6.127705 
1 1 1 10  -33 8  o 24.103  2.7672  87.469    17.134    81.763    25.171    92.395    23.388    23.157  4.2133  25.049  3.5884  -1.892138      5.534327 
1 1 1 10  -33 9  o 16.445  3.1497  42.867    14.545    32.180    21.381    52.072    19.845    14.460  4.7627  18.431  4.1230  -3.971053      6.299415 
1 1 1 10  -33 10 o 19.622  3.0274  61.319    15.524    44.889    23.217    74.604    20.878    16.772  4.8763  22.473  3.5892  -5.701406      6.054840 
1 1 1 10  -33 11 o 32.098  2.4775  150.072   20.726    176.106   29.981    126.243   28.684    34.972  3.2374  29.224  3.7511  5.748379       4.954926 
1 1 1 10  -33 12 o 12.068  3.1010  16.850    13.442    32.070    20.750    5.8445    17.644    14.421  4.6890  9.7157  4.0594  4.705497       6.202098 
1 1 1 10  -33 13 o 19.904  3.0991  62.313    16.037    54.500    23.981    68.634    21.569    18.474  4.8020  21.335  3.9189  -2.860865      6.198179 
1 1 1 10  -33 14 o 28.748  2.7071  123.227   20.226    119.416   29.664    126.538   27.649    28.162  4.0491  29.333  3.5943  -1.171768      5.414275 
1 1 1 10  -33 15 o 14.499  3.1831  33.261    14.854    14.652    23.374    45.868    19.238    11.811  4.7736  17.187  4.2119  -5.376017      6.366127 
1 1 1 10  -33 16 o 12.211  3.3056  17.391    15.120    28.723    23.655    9.5621    19.661    13.864  4.9904  10.558  4.3362  3.306162       6.611125 
1 1 1 10  -33 17 o 26.302  2.8719  105.489   19.387    121.649   27.517    89.560    27.319    28.615  3.6751  23.990  4.4143  4.625463       5.743890 
1 1 1 10  -33 18 o 26.571  2.7893  106.749   19.227    113.679   27.719    100.323   26.692    27.463  3.8761  25.678  4.0121  1.784510       5.578632 
1 1 1 10  -33 19 o 14.348  3.3488  32.844    15.118    26.820    23.121    37.343    19.981    13.420  4.9182  15.275  4.5463  -1.855186      6.697587 
1 1 1 10  -33 20 o 7.6205  2.5022  -11.7211  12.404    -24.8075  20.355    -3.9909   15.644    7.3287  3.5258  7.9123  3.5516  -0.5836000     5.004478 
1 1 1 10  -33 21 o 27.019  2.9311  113.352   19.994    145.997   28.997    83.765    27.606    31.296  3.5203  22.742  4.6876  8.553991       5.862266 
1 1 1 10  -33 22 o 11.628  2.8148  12.375    14.279    -28.3134  22.575    39.509    18.436    7.5837  3.6642  15.672  4.2739  -8.088526      5.629583 
1 1 1 10  -33 23 o 16.035  3.4355  43.970    16.629    31.385    24.741    54.339    22.458    13.946  5.0911  18.123  4.6142  -4.177047      6.871005 
1 1 1 10  -33 24 o 23.696  3.2356  93.030    19.675    75.739    28.384    109.022   27.297    20.967  5.1025  26.425  3.9801  -5.458002      6.471256 
1 1 1 10  -33 25 o 23.502  3.2395  90.295    19.606    104.861   29.178    78.303    26.474    25.378  4.4551  21.626  4.7043  3.751999       6.479089 
1 1 1 10  -33 26 o 10.447  3.1109  10.032    14.776    8.3356    22.503    11.318    19.590    10.462  4.4863  10.431  4.3110  0.3107071E-01  6.221802 
1 1 1 10  -33 27 o 10.002  3.0761  2.1233    15.877    17.231    23.332    -10.9060  21.668    11.573  4.7351  8.4299  3.9280  3.143510       6.152242 
1 1 1 10  -33 28 o 14.696  3.1347  30.944    18.325    -17.9576  27.138    71.931    24.845    8.8966  4.2221  20.494  4.6347  -11.59790      6.269435 
1 1 1 10  -33 29 o 36.272  2.6884  208.209   25.717    211.145   37.029    205.473   35.744    36.449  3.8512  36.095  3.7520  0.3541489      5.376702 
1 1 1 10  -33 30 o 15.096  3.3871  36.622    18.153    72.338    26.761    6.1794    24.707    19.907  5.0199  10.284  4.5487  9.622926       6.774193 
1 1 1 10  -33 31 o 18.894  3.7405  69.930    19.962    60.243    29.322    78.298    27.252    17.177  5.5736  20.610  4.9900  -3.432783      7.480955 
1 1 1 10  -33 32 o 15.740  3.7724  49.978    20.137    70.291    28.836    30.644    28.132    18.602  5.4419  12.878  5.2259  5.723857       7.544807 
1 1 1 10  -33 33 o 9.2892  3.0234  -2.0975   17.504    -11.1094  24.591    7.1581    24.921    8.5512  4.0467  10.027  4.4930  -1.476062      6.046773 
1 1 1 10  -33 34 o 11.053  3.3458  18.325    18.106    6.9786    25.961    29.072    25.265    9.9271  4.5043  12.179  4.9487  -2.251971      6.691629 
1 1 1 10  -33 35 o 10.232  3.2548  12.976    18.607    12.760    28.235    13.142    24.740    10.327  4.6901  10.137  4.5141  0.1895227      6.509545 
1 1 1 10  -32 0  o 28.314  2.4236  116.123   17.949    127.835   25.971    105.413   24.835    29.762  3.3142  26.866  3.5372  2.895842       4.847269 
1 1 1 10  -32 1  o 12.652  2.9550  20.629    12.540    37.010    18.658    7.1332    16.935    15.503  4.3279  9.8011  4.0247  5.701532       5.910077 
1 1 1 10  -32 2  o 10.901  2.6717  12.591    11.415    -8.8117   17.380    28.830    15.139    7.9635  3.6410  13.839  3.9109  -5.875193      5.343412 
1 1 1 10  -32 3  o 33.610  2.3032  162.640   20.302    145.130   29.188    179.053   28.258    31.670  3.4993  35.550  2.9956  -3.880789      4.606397 
1 1 1 10  -32 4  o 14.066  3.1347  29.696    13.119    29.496    20.067    29.846    17.338    14.057  4.6132  14.075  4.2453  -0.1794338E-01 6.269357 
1 1 1 10  -32 5  o 7.3832  2.3871  -8.5269   10.237    -3.8013   16.554    -11.4526  13.025    8.3083  3.6967  6.4580  3.0212  1.850277       4.774184 
1 1 1 10  -32 6  o 12.028  3.0398  19.165    12.840    9.6641    19.822    26.034    16.854    10.765  4.3797  13.292  4.2165  -2.526597      6.079522 
1 1 1 10  -32 7  o 27.427  2.5110  108.603   17.997    113.799   26.127    103.912   24.825    28.055  3.5568  26.799  3.5455  1.256168       5.022089 
1 1 1 10  -32 8  o 41.439  2.2123  242.664   24.368    249.152   34.878    236.477   34.061    41.986  3.1237  40.892  3.1336  1.093758       4.424607 
1 1 1 10  -32 9  o 24.922  3.4526  89.590    22.429    0.0000    0.0000    89.590    22.429    ?       ?       24.922  3.4526  ?              ?        
1 1 1 10  -32 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 15 o 24.335  6.2918  99.440    41.313    99.440    41.313    0.0000    0.0000    24.335  6.2918  ?       ?       ?              ?        
1 1 1 10  -32 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -32 22 o 11.096  4.4738  12.659    20.477    0.0000    0.0000    12.659    20.477    ?       ?       11.096  4.4738  ?              ?        
1 1 1 10  -32 23 o 20.858  3.2552  69.515    17.737    79.121    25.441    60.430    24.741    22.451  4.3879  19.265  4.8095  3.186403       6.510378 
1 1 1 10  -32 24 o 20.423  3.2914  66.675    17.671    83.487    26.419    53.064    23.772    22.927  4.4627  17.920  4.8391  5.007027       6.582780 
1 1 1 10  -32 25 o 31.800  2.6310  153.626   21.826    143.175   31.763    162.975   30.041    30.505  3.9825  33.096  3.4391  -2.590822      5.261918 
1 1 1 10  -32 26 o 8.4417  2.7240  -12.0405  14.310    5.2112    20.536    -28.3210  19.950    9.9262  4.2718  6.9571  3.3814  2.969056       5.448095 
1 1 1 10  -32 27 o 15.026  3.1958  35.869    17.144    1.0301    25.492    64.636    23.165    10.235  4.5682  19.818  4.4704  -9.582652      6.391615 
1 1 1 10  -32 28 o 21.383  3.3615  79.028    18.973    59.403    27.354    97.223    26.339    18.118  5.3001  24.648  4.1361  -6.529938      6.723021 
1 1 1 10  -32 29 o 14.202  3.5348  35.169    16.682    34.626    24.589    35.632    22.708    14.098  5.0863  14.306  4.9102  -0.2076645     7.069663 
1 1 1 10  -32 30 o 12.154  3.4542  21.815    17.177    22.445    25.111    21.262    23.548    12.280  4.9532  12.027  4.8159  0.2526398      6.908472 
1 1 1 10  -32 31 o 21.687  3.5614  84.712    20.369    95.921    29.185    74.067    28.440    23.415  4.8143  19.960  5.2496  3.455463       7.122886 
1 1 1 10  -32 32 o 14.492  3.6052  38.565    17.926    51.347    25.660    26.380    25.053    16.391  5.2031  12.593  4.9917  3.798216       7.210356 
1 1 1 10  -32 33 o 13.838  3.3184  29.428    17.802    63.161    25.474    -2.7685   24.887    18.281  5.0399  9.3955  4.3183  8.885098       6.636889 
1 1 1 10  -32 34 o 26.939  3.3017  130.246   22.930    128.347   33.055    132.007   31.836    26.506  4.8339  27.371  4.4989  -0.8640823     6.603500 
1 1 1 10  -32 35 o 15.747  3.7289  50.508    20.300    81.704    30.206    24.814    27.413    19.614  5.5178  11.880  5.0174  7.733508       7.457895 
1 1 1 10  -32 36 o 16.180  3.6767  57.360    19.507    81.262    28.148    35.274    27.057    19.597  5.2547  12.763  5.1439  6.834357       7.353324 
1 1 1 10  -32 37 o 10.426  3.2579  14.117    18.635    -3.4852   26.087    32.462    26.631    8.8308  4.1757  12.021  5.0018  -3.189672      6.515708 
1 1 1 10  -31 0  o 15.114  3.0374  34.780    13.314    23.866    19.486    44.336    18.234    13.046  4.5444  17.183  4.0312  -4.137431      6.074760 
1 1 1 10  -31 1  o 34.415  2.1965  167.199   20.022    173.115   28.654    161.555   27.989    35.025  3.0859  33.805  3.1266  1.220078       4.392967 
1 1 1 10  -31 2  o 41.126  2.1170  237.039   23.140    250.453   33.097    224.210   32.366    42.302  2.9392  39.950  3.0477  2.352180       4.234087 
1 1 1 10  -31 3  o 17.341  2.8970  47.794    13.830    25.311    21.303    64.173    18.183    13.530  4.7495  21.152  3.3184  -7.622849      5.793929 
1 1 1 10  -31 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -31 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -31 6  o 10.179  2.7480  6.5482    11.956    -12.4627  17.883    21.911    16.076    7.8472  3.6260  12.511  4.1302  -4.664207      5.496044 
1 1 1 10  -31 7  o 32.607  2.2638  150.594   19.337    134.307   27.956    165.536   26.777    30.766  3.4519  34.449  2.9298  -3.682701      4.527635 
1 1 1 10  -31 8  o 29.998  2.3340  126.943   18.429    133.507   26.512    120.805   25.636    30.771  3.2667  29.225  3.3347  1.545444       4.668098 
1 1 1 10  -31 9  o 20.907  2.8194  63.771    15.190    67.156    22.244    60.813    20.793    21.422  4.0244  20.391  3.9497  1.030581       5.638807 
1 1 1 10  -31 10 o 12.913  3.1055  22.309    12.804    28.107    19.537    17.945    16.951    14.000  4.5498  11.827  4.2279  2.173174       6.210971 
1 1 1 10  -31 11 o 34.054  2.2641  162.933   20.393    156.650   28.868    169.192   28.812    33.359  3.2731  34.750  3.1290  -1.391018      4.528105 
1 1 1 10  -31 12 o 17.295  3.0512  43.404    14.657    64.458    21.791    26.010    19.807    20.974  4.0252  13.616  4.5866  7.358091       6.102388 
1 1 1 10  -31 13 o 34.612  2.2818  168.378   20.830    186.617   29.896    151.170   29.039    36.516  3.0855  32.708  3.3625  3.808067       4.563626 
1 1 1 10  -31 14 o 48.416  2.1702  327.282   27.994    321.219   39.564    333.361   39.616    47.947  3.0973  48.885  3.0407  -0.9374924     4.340366 
1 1 1 10  -31 15 o 22.234  3.0171  73.293    17.298    69.837    24.827    76.555    24.115    21.632  4.4338  22.836  4.0930  -1.203997      6.034135 
1 1 1 10  -31 16 o 26.586  2.5301  101.099   17.480    113.578   25.373    89.826    24.116    28.237  3.4248  24.935  3.7251  3.302660       5.060192 
1 1 1 10  -31 17 o 19.349  2.7931  54.823    14.784    97.189    22.049    20.218    19.927    26.171  3.2130  12.528  4.5697  13.64302       5.586223 
1 1 1 10  -31 18 o 16.675  3.3669  41.993    15.848    49.746    23.340    35.360    21.587    18.010  4.7646  15.339  4.7585  2.670895       6.733882 
1 1 1 10  -31 19 o 23.922  2.9122  85.129    17.819    102.170   25.433    68.699    24.973    26.558  3.6737  21.286  4.5198  5.271887       5.824479 
1 1 1 10  -31 20 o 40.148  2.2124  228.153   23.550    243.822   33.275    212.428   33.333    41.619  3.0051  38.677  3.2477  2.942059       4.424740 
1 1 1 10  -31 21 o 26.916  2.8480  108.904   19.291    80.632    27.371    136.806   27.191    22.941  4.6143  30.892  3.3394  -7.950541      5.695914 
1 1 1 10  -31 22 o 16.797  3.3241  44.715    16.024    31.880    23.805    55.349    21.668    14.596  5.0263  18.999  4.3515  -4.402998      6.648293 
1 1 1 10  -31 23 o 17.079  2.9587  43.614    15.339    77.092    22.183    12.938    21.234    22.793  3.7649  11.365  4.5651  11.42805       5.917349 
1 1 1 10  -31 24 o 32.516  3.6387  155.355   31.148    155.355   31.148    0.0000    0.0000    32.516  3.6387  ?       ?       ?              ?        
1 1 1 10  -31 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -31 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -31 27 o 10.716  3.1663  9.6407    15.136    11.093    22.371    8.4148    20.555    11.022  4.5852  10.411  4.3679  0.6115189      6.332635 
1 1 1 10  -31 28 o 16.924  3.4076  46.229    17.270    71.812    25.842    25.583    23.216    20.831  4.7385  13.016  4.8983  7.814929       6.815193 
1 1 1 10  -31 29 o 20.280  3.3151  71.448    18.688    39.728    26.819    101.385   26.055    15.097  5.3265  25.463  3.9481  -10.36517      6.630126 
1 1 1 10  -31 30 o 9.8824  2.8708  -6.5597   15.222    -43.7312  21.834    28.588    21.232    6.5563  3.2536  13.209  4.7307  -6.652292      5.741554 
1 1 1 10  -31 31 o 22.830  3.2689  87.911    19.293    95.723    27.996    80.846    26.624    23.909  4.5376  21.750  4.7068  2.158823       6.537853 
1 1 1 10  -31 32 o 11.859  3.2942  19.077    16.307    3.6073    23.596    33.221    22.562    9.9636  4.4242  13.755  4.8819  -3.791339      6.588329 
1 1 1 10  -31 33 o 21.527  3.4762  82.925    19.592    83.623    28.279    82.281    27.170    21.514  5.0022  21.541  4.8285  -0.2730370E-01 6.952450 
1 1 1 10  -31 34 o 14.790  3.6025  41.791    17.804    31.615    26.163    50.567    24.297    13.235  5.1441  16.345  5.0447  -3.110668      7.204901 
1 1 1 10  -31 35 o 11.278  3.3112  17.619    16.798    26.594    23.623    8.4385    23.891    12.348  4.8622  10.208  4.4962  2.139998       6.622413 
1 1 1 10  -31 36 o 17.937  3.8570  67.540    20.299    77.836    29.602    58.402    27.889    19.337  5.4702  16.536  5.4391  2.801348       7.714071 
1 1 1 10  -31 37 o 14.106  3.3295  28.363    19.683    83.330    28.944    -18.9264  26.847    19.925  5.3225  8.2862  4.0017  11.63919       6.659000 
1 1 1 10  -31 38 o 10.590  3.3026  15.487    18.676    2.1988    25.793    30.133    27.079    9.2823  4.3119  11.897  5.0036  -2.615007      6.605201 
1 1 1 10  -30 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -30 1  o 23.566  6.0304  87.614    38.223    87.614    38.223    0.0000    0.0000    23.566  6.0304  ?       ?       ?              ?        
1 1 1 10  -30 2  o 30.237  2.2168  127.967   17.663    137.143   25.269    119.201   24.698    31.341  3.0487  29.132  3.2190  2.209145       4.433561 
1 1 1 10  -30 3  o 87.052  2.3678  1055.04   55.194    1039.25   78.575    1070.41   77.547    86.361  3.3969  87.743  3.2996  -1.381561      4.735613 
1 1 1 10  -30 4  o 44.888  2.0973  278.628   25.053    294.484   36.091    263.880   34.806    46.138  2.9357  43.637  2.9960  2.501583       4.194585 
1 1 1 10  -30 5  o 59.573  2.0883  489.277   33.231    517.803   47.523    461.982   46.486    61.342  2.8924  57.805  3.0128  3.537178       4.176516 
1 1 1 10  -30 6  o 33.306  2.1676  154.190   19.095    154.536   27.710    153.876   26.352    33.311  3.1428  33.301  2.9861  0.1029587E-01  4.335182 
1 1 1 10  -30 7  o 64.231  2.1382  568.289   36.761    597.159   52.448    540.410   51.540    65.864  2.9730  62.597  3.0739  3.266258       4.276411 
1 1 1 10  -30 8  f 9.7917  2.7908  6.5293    11.242    10.295    16.885    3.5308    15.067    10.534  4.1219  9.0494  3.7636  1.484768       5.581650 
1 1 1 10  -30 9  o 10.830  2.8177  12.515    11.376    1.9084    17.092    20.950    15.242    9.3190  3.9501  12.342  4.0191  -3.022518      5.635307 
1 1 1 10  -30 10 o 43.239  2.1029  258.391   24.171    275.284   34.374    241.870   33.994    44.681  2.8877  41.797  3.0577  2.884094       4.205727 
1 1 1 10  -30 11 o 12.307  2.9782  15.780    12.850    34.327    19.478    1.4864    17.099    15.351  4.4673  9.2635  3.9398  6.087530       5.956388 
1 1 1 10  -30 12 o 41.957  2.1136  243.580   23.554    226.281   33.145    261.227   33.477    40.401  3.0863  43.514  2.8887  -3.112362      4.227269 
1 1 1 10  -30 13 o 42.399  2.1632  249.049   24.400    247.837   34.496    250.262   34.519    42.292  3.0661  42.506  3.0523  -0.2136612     4.326334 
1 1 1 10  -30 14 o 35.569  2.2336  176.144   21.053    180.803   29.820    171.515   29.726    36.059  3.1182  35.080  3.1988  0.9784241      4.467153 
1 1 1 10  -30 15 o 19.378  2.9762  54.795    14.989    59.984    21.987    50.288    20.489    20.255  4.1908  18.502  4.2270  1.753078       5.952359 
1 1 1 10  -30 16 o 18.645  2.9831  51.908    14.851    34.071    21.112    69.380    20.895    15.288  4.6998  22.002  3.6752  -6.714698      5.966194 
1 1 1 10  -30 17 o 16.136  2.9159  38.735    13.949    15.098    20.274    59.987    19.223    11.851  4.5494  20.420  3.6486  -8.568350      5.831749 
1 1 1 10  -30 18 o 32.744  2.3286  151.042   19.968    172.913   28.458    129.831   28.025    35.214  3.0472  30.273  3.5220  4.940752       4.657296 
1 1 1 10  -30 19 o 12.368  3.1621  19.420    13.413    20.361    19.835    18.626    18.208    12.619  4.5658  12.117  4.3760  0.5016136      6.324206 
1 1 1 10  -30 20 o 15.319  3.2829  34.868    14.621    33.674    21.650    35.869    19.825    15.120  4.7771  15.518  4.5044  -0.3983650     6.565868 
1 1 1 10  -30 21 o 27.735  2.5713  110.466   18.628    108.552   26.631    112.300   26.067    27.455  3.7169  28.014  3.5539  -0.5584202     5.142519 
1 1 1 10  -30 22 o 57.299  2.1348  459.466   32.634    473.423   46.122    445.474   46.179    58.214  2.9679  56.384  3.0693  1.829433       4.269516 
1 1 1 10  -30 23 o 26.972  2.6233  105.654   18.426    103.305   26.472    107.862   25.664    26.614  3.8232  27.330  3.5930  -0.7152843     5.246617 
1 1 1 10  -30 24 o 12.046  2.8181  9.5554    14.135    -24.9244  20.229    42.451    19.759    7.4253  3.5573  16.666  4.3719  -9.240969      5.636262 
1 1 1 10  -30 25 o 18.711  3.2094  54.287    15.920    52.968    22.848    55.531    22.194    18.441  4.6320  18.982  4.4436  -0.5418339     6.418818 
1 1 1 10  -30 26 f 42.295  2.2569  255.553   25.352    270.009   36.805    242.501   34.971    43.441  3.1854  41.149  3.1981  2.292778       4.513817 
1 1 1 10  -30 27 o 16.298  3.3000  42.167    16.386    21.749    23.617    61.118    22.753    12.817  4.9126  19.779  4.4075  -6.961994      6.599965 
1 1 1 10  -30 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -30 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -30 30 o 26.355  3.0620  113.315   20.039    77.314    28.801    147.094   27.898    21.284  5.1155  31.425  3.3668  -10.14111      6.124043 
1 1 1 10  -30 31 f 9.7893  3.0433  1.9478    15.638    -5.8145   22.978    8.6453    21.344    9.1864  4.1949  10.392  4.4102  -1.205854      6.086611 
1 1 1 10  -30 32 o 15.407  3.5225  41.551    16.741    50.112    24.316    33.837    23.083    16.780  5.0201  14.035  4.9426  2.744972       7.044912 
1 1 1 10  -30 33 f 9.3557  2.8567  -6.8276   14.982    21.581    21.330    -34.4888  21.048    11.942  4.6439  6.7691  3.3283  5.173136       5.713440 
1 1 1 10  -30 34 o 11.622  3.3292  19.056    16.235    13.884    22.901    24.281    23.017    10.937  4.6006  12.307  4.8134  -1.370085      6.658443 
1 1 1 10  -30 35 o 8.9635  2.8540  -10.3068  15.522    16.360    22.784    -33.4039  21.204    11.137  4.6296  6.7903  3.3390  4.346434       5.708089 
1 1 1 10  -30 36 o 24.129  3.5116  107.550   21.936    90.613    31.454    123.589   30.609    21.482  5.4561  26.776  4.4222  -5.293911      7.023141 
1 1 1 10  -30 37 o 17.252  3.7087  61.416    19.896    81.466    27.954    40.833    28.324    20.500  5.1093  14.005  5.3770  6.495219       7.417335 
1 1 1 10  -30 38 o 12.220  3.5492  28.320    18.847    36.385    26.771    20.395    26.537    13.155  5.1772  11.285  4.8563  1.869451       7.098369 
1 1 1 10  -30 39 o 10.100  3.2358  9.5438    19.039    20.646    27.505    -0.6691   26.381    11.011  4.8376  9.1883  4.2988  1.822855       6.471676 
1 1 1 10  -30 40 o 10.034  3.1852  10.755    19.186    -14.3563  28.236    32.294    26.150    8.3103  4.0353  11.757  4.9293  -3.446467      6.370365 
1 1 1 10  -29 0  o 29.259  2.2748  119.994   17.442    109.044   24.876    130.583   24.462    27.856  3.4049  30.662  3.0176  -2.806137      4.549618 
1 1 1 10  -29 1  o 16.974  2.8161  42.635    12.702    32.578    18.674    51.296    17.329    15.001  4.3766  18.947  3.5451  -3.945833      5.632286 
1 1 1 10  -29 2  o 25.425  2.2952  90.465    15.265    89.339    21.851    91.540    21.335    25.247  3.3112  25.604  3.1795  -0.3570824     4.590500 
1 1 1 10  -29 3  o 55.812  2.0498  427.561   30.529    441.438   43.604    414.216   42.759    56.711  2.8800  54.912  2.9176  1.798397       4.099636 
1 1 1 10  -29 4  o 46.863  2.0286  301.456   25.338    304.911   36.157    298.121   35.518    47.124  2.8784  46.602  2.8593  0.5218925      4.057218 
1 1 1 10  -29 5  o 27.352  2.1985  103.825   15.814    107.627   22.635    100.200   22.104    27.854  3.0858  26.851  3.1323  1.003380       4.396991 
1 1 1 10  -29 6  o 34.898  2.0845  167.937   19.277    160.968   27.502    174.667   27.027    34.151  3.0383  35.645  2.8548  -1.493900      4.169049 
1 1 1 10  -29 7  f 49.194  2.0195  331.849   26.475    318.549   37.519    345.039   37.363    48.183  2.9209  50.205  2.7895  -2.022007      4.038962 
1 1 1 10  -29 8  o 29.718  2.2225  124.030   17.076    101.143   24.531    145.545   23.785    26.880  3.4896  32.556  2.7534  -5.675886      4.445058 
1 1 1 10  -29 9  o 26.928  2.2818  101.008   16.098    95.621    22.909    106.264   22.627    26.171  3.3445  27.684  3.1050  -1.512436      4.563631 
1 1 1 10  -29 10 o 18.843  2.8292  51.962    13.853    40.687    20.143    62.080    19.082    16.733  4.4262  20.954  3.5251  -4.220972      5.658383 
1 1 1 10  -29 11 o 35.997  2.1533  178.818   20.537    188.661   29.022    168.947   29.066    37.028  2.9507  34.966  3.1369  2.061569       4.306608 
1 1 1 10  -29 12 o 12.902  2.8826  20.483    11.912    35.990    17.870    8.0812    15.980    15.771  4.1675  10.033  3.9836  5.738763       5.765148 
1 1 1 10  -29 13 o 53.212  2.0897  388.934   29.596    356.704   41.568    422.071   42.149    50.921  3.0619  55.503  2.8447  -4.582188      4.179465 
1 1 1 10  -29 14 o 48.547  2.0954  323.859   27.113    318.734   38.022    329.161   38.673    48.155  2.9622  48.938  2.9644  -0.7831154     4.190738 
1 1 1 10  -29 15 f 36.099  2.2243  181.656   21.054    208.076   29.584    154.546   29.968    38.897  2.8596  33.302  3.4078  5.595505       4.448605 
1 1 1 10  -29 16 o 35.325  2.1999  172.728   20.584    163.718   28.845    182.076   29.382    34.358  3.1701  36.292  3.0510  -1.933582      4.399772 
1 1 1 10  -29 17 o 44.259  2.0796  269.909   24.508    270.261   34.365    269.545   34.963    44.300  2.9124  44.218  2.9692  0.8278656E-01  4.159149 
1 1 1 10  -29 18 o 37.735  2.1691  197.421   21.707    205.075   30.431    189.494   30.972    38.523  2.9722  36.947  3.1601  1.575211       4.338249 
1 1 1 10  -29 19 o 18.225  3.0449  48.578    14.632    53.884    21.320    43.853    20.119    19.183  4.2603  17.268  4.3515  1.915155       6.089810 
1 1 1 10  -29 20 o 56.288  2.0842  437.546   31.295    419.164   44.044    456.289   44.475    55.062  2.9977  57.514  2.8963  -2.452389      4.168327 
1 1 1 10  -29 21 o 34.544  2.1542  166.061   19.718    168.418   28.414    163.871   27.385    34.766  3.0833  34.322  3.0092  0.4441338      4.308357 
1 1 1 10  -29 22 o 17.130  3.1138  43.677    14.522    35.201    20.479    52.250    20.595    15.444  4.6039  18.816  4.1937  -3.371033      6.227626 
1 1 1 10  -29 23 o 13.514  2.9728  22.680    13.618    44.521    19.632    2.4226    18.907    17.291  4.2653  9.7373  4.1421  7.553665       5.945578 
1 1 1 10  -29 24 o 21.443  2.9165  68.159    16.081    64.433    23.659    71.358    21.923    20.757  4.3924  22.128  3.8380  -1.370087      5.832958 
1 1 1 10  -29 25 o 15.348  3.2656  35.386    14.550    38.910    20.828    32.026    20.335    16.018  4.6075  14.678  4.6289  1.339265       6.531113 
1 1 1 10  -29 26 f 27.476  2.6327  109.881   18.831    108.222   27.401    111.367   25.922    27.191  3.8716  27.761  3.5687  -0.5696850     5.265470 
1 1 1 10  -29 27 o 23.076  3.0428  81.752    17.953    66.485    26.073    95.516    24.756    20.634  4.8068  25.518  3.7323  -4.884380      6.085698 
1 1 1 10  -29 28 o 49.557  2.1785  349.560   28.748    344.506   41.305    354.307   40.036    49.138  3.1550  49.976  3.0048  -0.8380203     4.356926 
1 1 1 10  -29 29 o 23.519  3.1193  85.951    18.804    83.263    28.134    88.121    25.280    22.940  4.7357  24.097  4.0611  -1.157137      6.238526 
1 1 1 10  -29 30 o 22.276  4.8515  80.353    28.128    80.353    28.128    0.0000    0.0000    22.276  4.8515  ?       ?       ?              ?        
1 1 1 10  -29 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -29 32 o 19.063  3.4898  61.652    17.979    69.147    26.298    55.074    24.636    20.203  4.9082  17.923  4.9624  2.280069       6.979689 
1 1 1 10  -29 33 o 22.714  3.2086  87.669    18.779    62.473    27.097    110.954   26.049    18.685  5.2154  26.742  3.7390  -8.057053      6.417161 
1 1 1 10  -29 34 o 8.8914  2.8838  -5.9542   15.605    -8.5302   22.511    -3.5709   21.652    8.7575  4.0542  9.0254  4.1022  -0.2679625     5.767536 
1 1 1 10  -29 35 o 9.6455  3.0575  1.3267    16.348    -0.3896   23.570    2.9178    22.693    9.5569  4.3182  9.7341  4.3297  -0.1772470     6.115030 
1 1 1 10  -29 36 o 22.662  3.3766  92.556    20.411    133.584   29.590    55.316    28.191    28.637  3.9639  16.687  5.4675  11.95008       6.753216 
1 1 1 10  -29 37 o 16.498  3.7832  54.605    19.195    51.026    28.118    57.729    26.269    15.825  5.4620  17.170  5.2361  -1.345844      7.566362 
1 1 1 10  -29 38 o 16.679  3.7652  57.495    19.699    42.516    27.828    72.540    27.889    14.309  5.3672  19.049  5.2819  -4.739218      7.530300 
1 1 1 10  -29 39 o 6.8752  2.4140  -41.6132  17.203    -54.2557  25.215    -30.6028  23.531    6.5508  3.2877  7.1996  3.5357  -0.6488957     4.828038 
1 1 1 10  -29 40 o 10.777  3.3127  12.195    19.321    -13.6903  26.957    39.539    27.706    8.4574  4.0660  13.097  5.2310  -4.639895      6.625430 
1 1 1 10  -29 41 o 13.353  3.8396  49.291    21.677    54.220    30.191    44.046    31.141    13.979  5.4991  12.728  5.3600  1.250920       7.679197 
1 1 1 10  -28 0  o 38.569  2.0537  204.305   21.056    204.998   30.095    203.640   29.472    38.625  2.9308  38.514  2.8777  0.1113777      4.107400 
1 1 1 10  -28 1  o 31.417  2.1607  136.602   17.630    167.543   25.445    108.031   24.451    34.969  2.7385  27.864  3.3429  7.105337       4.321358 
1 1 1 10  -28 2  o 35.086  2.0698  169.453   19.218    157.373   27.381    181.182   26.981    33.804  3.0572  36.369  2.7910  -2.565392      4.139611 
1 1 1 10  -28 3  o 20.103  2.6521  59.782    13.520    35.322    19.356    83.084    18.892    15.688  4.4182  24.518  2.9351  -8.829850      5.304292 
1 1 1 10  -28 4  o 43.185  2.0024  254.966   23.029    255.184   32.886    254.757   32.260    43.195  2.8586  43.175  2.8048  0.1954651E-01  4.004827 
1 1 1 10  -28 5  o 25.271  2.2367  88.585    14.797    87.175    21.199    89.924    20.664    25.052  3.2348  25.489  3.0898  -0.4367695     4.473344 
1 1 1 10  -28 6  o 29.811  2.1053  122.228   16.562    130.385   23.694    114.433   23.160    30.811  2.9054  28.810  3.0475  2.000345       4.210556 
1 1 1 10  -28 7  o 56.191  2.0223  430.659   30.353    413.851   43.121    447.165   42.733    55.042  2.9355  57.340  2.7824  -2.298550      4.044611 
1 1 1 10  -28 8  o 46.070  2.0260  289.956   24.871    297.064   35.314    282.960   35.035    46.640  2.8403  45.500  2.8897  1.140141       4.051904 
1 1 1 10  -28 9  o 47.840  2.0166  312.701   25.707    301.639   36.461    323.635   36.251    46.976  2.9121  48.704  2.7905  -1.728382      4.033282 
1 1 1 10  -28 10 o 17.953  2.9252  45.685    13.821    56.808    20.595    36.572    18.642    19.950  3.9935  15.956  4.2754  3.993626       5.850407 
1 1 1 10  -28 11 o 43.440  2.0325  258.266   23.479    273.775   33.189    242.728   33.220    44.780  2.7808  42.099  2.9650  2.681267       4.064966 
1 1 1 10  -28 12 o 44.800  2.0450  274.402   24.381    257.768   34.122    291.753   34.850    43.388  2.9538  46.212  2.8291  -2.824059      4.090088 
1 1 1 10  -28 13 o 82.772  2.2618  937.313   50.142    926.123   70.866    948.531   70.957    82.268  3.2160  83.276  3.1811  -1.008423      4.523552 
1 1 1 10  -28 14 o 45.620  2.0897  285.276   25.373    298.166   35.809    272.279   35.957    46.686  2.8776  44.554  3.0310  2.132011       4.179455 
1 1 1 10  -28 15 o 45.662  2.0748  285.564   25.235    277.304   35.377    294.121   36.007    44.981  2.9527  46.343  2.9156  -1.362171      4.149613 
1 1 1 10  -28 16 o 37.329  2.1065  191.534   20.886    192.326   29.423    190.729   29.652    37.413  2.9603  37.245  2.9978  0.1684227      4.213088 
1 1 1 10  -28 17 o 40.326  2.0596  223.842   22.024    239.652   30.844    207.395   31.459    41.837  2.7680  38.815  3.0505  3.022495       4.119157 
1 1 1 10  -28 18 o 37.028  2.0963  188.642   20.610    182.307   28.867    195.229   29.436    36.382  2.9887  37.674  2.9405  -1.291519      4.192678 
1 1 1 10  -28 19 o 41.612  2.0687  238.227   22.884    225.781   32.314    250.749   32.413    40.488  3.0011  42.736  2.8480  -2.248161      4.137357 
1 1 1 10  -28 20 o 18.959  2.8971  53.418    14.313    39.875    21.164    64.831    19.430    16.524  4.6082  21.394  3.5126  -4.870274      5.794296 
1 1 1 10  -28 21 o 9.1977  2.5920  -1.9972   11.548    -25.5611  17.073    17.877    15.679    6.6350  3.2010  11.760  4.0776  -5.125474      5.183950 
1 1 1 10  -28 22 o 41.988  2.0816  244.531   23.129    219.523   33.038    268.570   32.391    39.783  3.1256  44.192  2.7501  -4.409233      4.163212 
1 1 1 10  -28 23 o 41.808  2.0637  241.753   22.956    234.730   32.458    248.783   32.472    41.178  2.9626  42.439  2.8736  -1.260498      4.127316 
1 1 1 10  -28 24 o 7.6523  2.4715  -12.7306  11.524    -1.0330   17.133    -22.3969  15.574    8.9136  3.8687  6.3911  3.0770  2.522552       4.943100 
1 1 1 10  -28 25 o 20.426  2.9997  61.354    15.909    77.535    23.220    47.041    21.840    23.137  3.8846  17.714  4.5720  5.422832       5.999420 
1 1 1 10  -28 26 o 19.646  3.0601  58.353    16.019    36.327    22.490    81.035    22.823    15.610  4.8594  23.682  3.7207  -8.071815      6.120224 
1 1 1 10  -28 27 o 15.355  3.1636  34.961    14.728    18.673    21.109    50.410    20.559    12.393  4.6695  18.316  4.2695  -5.922743      6.327121 
1 1 1 10  -28 28 o 11.342  2.9200  6.3616    13.979    34.370    20.257    -19.1014  19.315    15.066  4.5989  7.6178  3.5994  7.448335       5.839969 
1 1 1 10  -28 29 o 11.092  3.1381  11.677    14.317    5.5015    21.284    16.780    19.348    10.447  4.4171  11.736  4.4588  -1.289273      6.276268 
1 1 1 10  -28 30 o 16.143  3.1018  40.846    15.432    15.583    22.585    62.969    21.134    11.894  4.7316  20.392  4.0122  -8.498470      6.203678 
1 1 1 10  -28 31 o 21.662  3.2092  73.629    18.077    92.502    26.404    56.978    24.800    24.584  4.1581  18.739  4.8895  5.845280       6.418478 
1 1 1 10  -28 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -28 33 o 27.660  3.9727  118.437   28.588    0.0000    0.0000    118.437   28.588    ?       ?       27.660  3.9727  ?              ?        
1 1 1 10  -28 34 o 10.378  3.0103  4.6313    14.893    -15.9685  20.915    25.821    21.212    7.9475  3.7522  12.808  4.7083  -4.860268      6.020508 
1 1 1 10  -28 35 o 8.4311  2.7699  -10.5254  15.129    -16.2528  21.214    -4.5966   21.583    7.9253  3.7529  8.9368  4.0750  -1.011447      5.539805 
1 1 1 10  -28 36 o 14.392  3.2602  32.550    16.663    61.976    24.093    5.5680    23.070    18.714  4.7872  10.070  4.4271  8.644417       6.520482 
1 1 1 10  -28 37 o 14.328  3.5535  35.503    18.206    58.335    26.684    15.620    24.901    17.408  5.2703  11.248  4.7678  6.160764       7.106929 
1 1 1 10  -28 38 o 7.6573  2.6106  -26.4423  16.179    -7.4733   23.249    -44.2523  22.528    8.7690  4.0803  6.5456  3.2576  2.223447       5.221168 
1 1 1 10  -28 39 o 9.7490  3.1233  2.9213    17.645    7.0079    24.403    -1.5570   25.545    10.046  4.4778  9.4516  4.3555  0.5948381      6.246650 
1 1 1 10  -28 40 o 12.434  3.6202  30.183    19.503    25.424    27.290    35.151    27.884    11.875  5.0100  12.994  5.2272  -1.119246      7.240413 
1 1 1 10  -28 41 o 11.587  3.5649  26.190    20.785    21.629    30.500    30.144    28.401    11.199  4.9978  11.975  5.0849  -0.7758265     7.129797 
1 1 1 10  -28 42 o 15.047  3.8345  60.425    23.060    95.928    32.488    24.372    32.738    19.167  5.8181  10.927  4.9964  8.239936       7.669086 
1 1 1 10  -27 0  o 51.570  2.0121  362.725   27.684    361.053   39.211    364.387   39.092    51.447  2.8567  51.692  2.8343  -0.2451248     4.024159 
1 1 1 10  -27 1  o 60.382  2.0466  495.849   33.098    495.736   47.048    495.959   46.572    60.371  2.9096  60.394  2.8790  -0.2325821E-01 4.093189 
1 1 1 10  -27 2  o 40.841  1.9894  227.742   21.607    216.605   30.589    238.832   30.524    39.820  2.8876  41.863  2.7373  -2.043438      3.978817 
1 1 1 10  -27 3  o 46.661  1.9511  296.486   24.275    294.958   34.475    297.989   34.186    46.536  2.7786  46.786  2.7400  -0.2501450     3.902272 
1 1 1 10  -27 4  o 75.969  2.1717  785.929   44.164    762.394   62.807    808.948   62.114    74.819  3.1341  77.120  3.0070  -2.301567      4.343335 
1 1 1 10  -27 5  o 33.952  2.0253  157.513   18.240    160.587   26.228    154.633   25.383    34.270  2.8841  33.634  2.8443  0.6359291      4.050672 
1 1 1 10  -27 6  o 27.850  2.1232  106.374   15.532    118.316   22.506    95.514    21.462    29.380  2.8976  26.320  3.1040  3.059551       4.246331 
1 1 1 10  -27 7  o 72.711  2.1176  718.481   41.238    731.290   58.791    706.075   57.859    73.350  2.9924  72.072  2.9972  1.277336       4.235282 
1 1 1 10  -27 8  f 24.258  2.3420  81.698    14.762    90.005    21.058    73.670    20.701    25.533  3.1457  22.984  3.4706  2.548452       4.684053 
1 1 1 10  -27 9  o 52.755  1.9694  378.147   27.733    402.507   39.459    354.368   38.986    54.493  2.7034  51.016  2.8646  3.476646       3.938859 
1 1 1 10  -27 10 o 13.775  2.8632  26.625    11.774    15.718    17.485    35.673    15.925    11.726  4.2801  15.823  3.8043  -4.097012      5.726427 
1 1 1 10  -27 11 o 98.320  2.4349  1320.53   64.118    1306.38   90.821    1334.60   90.532    97.781  3.4677  98.859  3.4190  -1.077957      4.869742 
1 1 1 10  -27 12 o 45.480  2.0662  282.195   25.020    269.580   35.232    295.027   35.536    44.435  2.9775  46.526  2.8655  -2.090607      4.132376 
1 1 1 10  -27 13 o 70.391  2.1130  673.885   39.836    669.573   56.005    678.299   56.675    70.166  2.9800  70.616  2.9964  -0.4497757     4.225956 
1 1 1 10  -27 14 o 36.427  2.0976  182.010   20.219    197.799   28.567    166.160   28.622    38.060  2.8224  34.793  3.1038  3.266609       4.195194 
1 1 1 10  -27 15 o 50.007  2.0239  341.240   26.979    352.250   37.983    330.028   38.328    50.844  2.7999  49.171  2.9234  1.672897       4.047878 
1 1 1 10  -27 16 o 71.979  2.1058  705.665   40.591    704.516   56.843    706.859   57.983    71.930  2.9504  72.027  3.0055  -0.9715271E-01 4.211619 
1 1 1 10  -27 17 o 68.903  2.0908  647.033   38.573    649.955   53.907    643.968   55.219    69.079  2.9135  68.726  2.9997  0.3534470      4.181680 
1 1 1 10  -27 18 o 28.258  2.2880  110.975   16.908    99.718    24.011    122.046   23.813    26.758  3.4292  29.758  3.0299  -3.000374      4.575944 
1 1 1 10  -27 19 o 40.400  2.0392  224.153   21.841    203.765   30.928    244.435   30.848    38.510  3.0227  42.291  2.7379  -3.780899      4.078362 
1 1 1 10  -27 20 o 35.958  2.0656  177.800   19.688    189.383   27.897    166.305   27.791    37.162  2.8237  34.753  3.0154  2.409149       4.131127 
1 1 1 10  -27 21 o 28.331  2.2810  112.117   16.877    101.090   24.274    122.435   23.480    26.886  3.4504  29.775  2.9844  -2.888645      4.561967 
1 1 1 10  -27 22 o 44.417  2.0169  270.891   23.859    263.529   33.799    278.202   33.683    43.796  2.8977  45.038  2.8061  -1.242653      4.033722 
1 1 1 10  -27 23 o 14.314  3.1148  29.208    13.312    22.633    19.624    34.813    18.118    13.143  4.5616  15.485  4.2427  -2.342181      6.229672 
1 1 1 10  -27 24 o 51.165  2.0152  360.117   27.497    358.932   39.399    361.243   38.394    51.062  2.8926  51.268  2.8066  -0.2051277     4.030394 
1 1 1 10  -27 25 o 22.281  2.6767  71.349    15.367    68.183    22.222    74.251    21.274    21.728  3.9644  22.833  3.5976  -1.105476      5.353412 
1 1 1 10  -27 26 o 16.955  3.1121  42.509    14.273    46.260    20.536    39.004    19.852    17.673  4.3641  16.237  4.4379  1.436361       6.224218 
1 1 1 10  -27 27 o 16.729  3.1826  41.753    14.678    48.250    20.858    35.380    20.658    17.996  4.3707  15.462  4.6274  2.533751       6.365251 
1 1 1 10  -27 28 f 62.374  2.1229  541.185   35.459    536.507   50.518    545.727   49.783    62.080  3.0381  62.667  2.9659  -0.5870667     4.245748 
1 1 1 10  -27 29 o 31.256  2.3693  139.298   19.491    135.180   28.058    143.138   27.096    30.740  3.4684  31.773  3.2288  -1.032700      4.738672 
1 1 1 10  -27 30 o 9.5450  2.9429  -0.4702   14.067    2.4847    21.185    -2.8003   18.812    10.104  4.3433  8.9866  3.9723  1.116901       5.885813 
1 1 1 10  -27 31 o 31.696  2.6324  151.414   20.765    107.358   30.023    191.818   28.752    26.594  4.3664  36.799  2.9416  -10.20444      5.264818 
1 1 1 10  -27 32 o 9.1656  2.8965  -4.0858   14.629    -9.0831   21.353    0.3341    20.081    8.8299  4.0367  9.5013  4.1549  -0.6714029     5.792940 
1 1 1 10  -27 33 o 11.073  3.1353  10.829    15.128    -5.0824   22.518    23.916    20.423    9.3644  4.2270  12.782  4.6317  -3.417882      6.270561 
1 1 1 10  -27 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -27 35 o 10.434  2.9954  3.6165    14.768    27.971    21.482    -18.2039  20.334    13.199  4.7552  7.6682  3.6437  5.530993       5.990701 
1 1 1 10  -27 36 o 11.452  3.3062  16.200    16.347    8.2327    23.897    23.207    22.411    10.580  4.5805  12.324  4.7691  -1.743534      6.612443 
1 1 1 10  -27 37 f 17.283  3.5160  54.910    19.092    27.525    27.231    81.383    26.774    12.953  5.1815  21.614  4.7541  -8.660861      7.031986 
1 1 1 10  -27 38 o 8.4235  2.7660  -16.2228  15.853    -39.1340  22.234    7.4700    22.610    6.7396  3.3337  10.107  4.4147  -3.367737      5.531983 
1 1 1 10  -27 39 o 15.812  3.8687  51.223    20.124    45.497    29.177    56.420    27.794    14.918  5.5153  16.705  5.4266  -1.787860      7.737326 
1 1 1 10  -27 40 o 12.270  3.5943  26.299    19.283    23.234    26.334    29.842    28.315    11.869  4.9593  12.671  5.2039  -0.8020449     7.188540 
1 1 1 10  -27 41 o 16.176  4.0446  62.340    22.265    69.819    30.495    53.803    32.584    17.453  5.6850  14.898  5.7546  2.554337       8.089160 
1 1 1 10  -27 42 f 10.171  3.3084  9.1728    20.884    18.743    29.593    -0.3233   29.477    10.862  4.8796  9.4786  4.4688  1.383821       6.616726 
1 1 1 10  -27 43 o 10.626  3.4166  19.329    21.644    39.142    31.592    1.8024    29.712    12.019  5.2348  9.2323  4.3920  2.786766       6.833250 
1 1 1 10  -26 0  o 69.710  2.1176  660.113   39.533    655.888   56.304    664.221   55.520    69.480  3.0255  69.940  2.9637  -0.4601364     4.235222 
1 1 1 10  -26 1  o 67.567  2.0971  619.653   37.920    653.630   53.976    586.543   53.284    69.414  2.9031  65.719  3.0270  3.695198       4.194147 
1 1 1 10  -26 2  o 31.304  2.0185  133.893   16.735    137.110   23.711    130.699   23.623    31.689  2.8230  30.920  2.8857  0.7689400      4.036963 
1 1 1 10  -26 3  o 14.597  2.6366  30.110    10.613    20.608    14.924    39.829    15.094    12.391  3.9717  16.803  3.4687  -4.412148      5.273216 
1 1 1 10  -26 4  o 33.402  2.0148  152.881   17.659    178.381   25.133    128.017   24.818    36.234  2.6071  30.570  3.0726  5.664267       4.029614 
1 1 1 10  -26 5  f 34.910  2.0150  167.875   18.277    130.148   25.722    206.346   25.975    30.811  3.1617  39.010  2.4991  -8.199162      4.030070 
1 1 1 10  -26 6  o 73.125  2.0945  724.375   41.021    730.479   58.491    718.466   57.545    73.425  2.9741  72.825  2.9501  0.5994568      4.189085 
1 1 1 10  -26 7  o 95.361  3.3365  1235.55   85.221    0.0000    0.0000    1235.55   85.221    ?       ?       95.361  3.3365  ?              ?        
1 1 1 10  -26 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 18 o 47.131  2.3383  298.879   28.161    324.394   47.704    285.232   34.888    48.518  3.6986  45.743  2.8619  2.774876       4.676587 
1 1 1 10  -26 19 o 53.811  1.9584  393.855   28.161    407.204   39.851    380.539   39.801    54.773  2.7163  52.850  2.8218  1.923176       3.916792 
1 1 1 10  -26 20 o 23.760  2.3750  78.780    14.669    76.288    21.090    81.115    20.418    23.357  3.4771  24.164  3.2359  -0.8071766     4.749913 
1 1 1 10  -26 21 o 72.051  2.0896  708.081   40.310    685.778   57.011    730.377   57.003    70.895  3.0023  73.206  2.9071  -2.311172      4.179124 
1 1 1 10  -26 22 o 41.015  1.9852  230.370   21.666    225.811   30.918    234.768   30.370    40.597  2.8617  41.433  2.7523  -0.8356247     3.970398 
1 1 1 10  -26 23 o 18.738  2.8651  50.532    14.190    71.410    20.668    31.918    19.515    22.508  3.5456  14.969  4.5017  7.539431       5.730282 
1 1 1 10  -26 24 o 74.755  2.1373  765.943   42.790    759.440   60.808    772.323   60.223    74.424  3.0504  75.085  2.9945  -0.6602936     4.274576 
1 1 1 10  -26 25 o 41.683  2.0575  239.363   22.785    235.992   33.086    242.403   31.424    41.365  3.0068  42.002  2.8094  -0.6373100     4.115088 
1 1 1 10  -26 26 o 26.553  2.4368  98.596    16.852    110.894   24.884    88.177    22.903    28.122  3.3707  24.984  3.5201  3.138208       4.873638 
1 1 1 10  -26 27 o 14.326  2.7190  24.625    13.215    56.364    19.250    -3.6682   18.175    19.770  3.7729  8.8823  3.9164  10.88722       5.438083 
1 1 1 10  -26 28 o 32.884  2.2164  151.672   19.200    141.071   27.654    161.538   26.679    31.685  3.3072  34.083  2.9515  -2.398029      4.432768 
1 1 1 10  -26 29 o 38.007  2.2046  201.867   22.223    209.199   32.314    195.288   30.611    38.648  3.1489  37.365  3.0862  1.282475       4.409130 
1 1 1 10  -26 30 o 8.7823  2.7442  -7.2932   13.147    6.1162    19.301    -18.8994  17.956    10.262  4.2631  7.3029  3.4566  2.958734       5.488320 
1 1 1 10  -26 31 o 11.145  3.1434  11.339    14.235    16.818    20.616    6.3473    19.679    11.980  4.5902  10.311  4.2958  1.669021       6.286837 
1 1 1 10  -26 32 o 14.188  3.3186  29.418    15.554    15.067    22.662    42.200    21.387    11.910  4.7391  16.465  4.6468  -4.555360      6.637147 
1 1 1 10  -26 33 f 14.038  3.4804  29.652    16.279    25.234    24.219    33.293    21.986    13.426  5.0127  14.650  4.8298  -1.224130      6.960871 
1 1 1 10  -26 34 o 30.978  2.6556  143.093   21.539    155.198   31.399    132.334   29.601    32.269  3.6996  29.686  3.8107  2.582813       5.311156 
1 1 1 10  -26 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -26 36 o 24.122  3.1944  94.771    19.833    100.411   29.313    90.008    26.935    24.720  4.5962  23.524  4.4375  1.196001       6.388774 
1 1 1 10  -26 37 o 13.629  3.5708  31.205    17.544    38.414    24.801    23.985    24.821    14.695  5.1264  12.562  4.9720  2.132637       7.141519 
1 1 1 10  -26 38 o 13.853  3.0124  22.111    17.232    67.696    24.133    -25.3070  24.614    19.746  4.6414  7.9610  3.8414  11.78480       6.024848 
1 1 1 10  -26 39 o 16.691  3.1783  46.879    19.994    -9.0293   29.055    97.164    27.555    9.6031  4.4988  23.780  4.4908  -14.17676      6.356611 
1 1 1 10  -26 40 o 7.6789  2.6280  -24.8473  16.674    -17.8276  22.783    -32.9443  24.468    7.9423  3.7970  7.4154  3.6343  0.5268936      5.255975 
1 1 1 10  -26 41 o 12.326  3.4951  22.752    19.845    48.416    27.360    -5.7348   28.826    15.124  5.3752  9.5272  4.4689  5.597174       6.990246 
1 1 1 10  -26 42 o 11.932  3.5628  20.991    21.062    -4.8152   28.992    49.830    30.649    9.3808  4.4255  14.483  5.5848  -5.102443      7.125628 
1 1 1 10  -26 43 o 10.056  3.2424  8.0808    20.269    26.476    27.747    -12.9640  29.678    11.408  4.9373  8.7037  4.2043  2.704538       6.484880 
1 1 1 10  -25 0  o 74.410  2.1442  750.414   42.718    737.025   60.889    763.391   59.947    73.742  3.0827  75.079  2.9810  -1.336395      4.288312 
1 1 1 10  -25 1  o 43.976  1.9493  262.534   22.817    247.840   32.245    277.271   32.292    42.722  2.8339  45.230  2.6774  -2.507832      3.898697 
1 1 1 10  -25 2  o 59.063  2.8457  471.497   45.019    0.0000    0.0000    471.497   45.019    ?       ?       59.063  2.8457  ?              ?        
1 1 1 10  -25 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -25 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -25 5  o 37.599  1.9375  191.749   19.377    194.911   27.444    188.606   27.361    37.913  2.7207  37.285  2.7594  0.6280937      3.875094 
1 1 1 10  -25 6  o 44.955  1.9187  274.422   22.880    243.873   32.357    304.972   32.358    42.408  2.8654  47.501  2.5526  -5.093094      3.837470 
1 1 1 10  -25 7  o 66.939  2.0363  604.941   36.503    594.713   51.726    615.089   51.521    66.369  2.9097  67.508  2.8493  -1.138573      4.072502 
1 1 1 10  -25 8  o 147.735 3.1237  2976.84   123.602   3000.18   175.479   2953.85   174.129   148.309 4.4174  147.160 4.4177  1.149750       6.247338 
1 1 1 10  -25 9  o 42.998  1.9912  250.353   22.786    236.540   31.841    264.854   32.623    41.769  2.8633  44.226  2.7679  -2.457100      3.982399 
1 1 1 10  -25 10 o 46.009  1.9693  287.016   24.114    302.488   33.882    271.135   34.326    47.289  2.6861  44.729  2.8805  2.560307       3.938568 
1 1 1 10  -25 11 o 42.917  1.9776  249.652   22.599    255.152   31.773    244.021   32.150    43.406  2.7470  42.428  2.8455  0.9785614      3.955113 
1 1 1 10  -25 12 f 28.012  2.2950  107.569   16.896    106.480   24.089    108.622   23.704    27.862  3.2915  28.162  3.1992  -0.3004894     4.590052 
1 1 1 10  -25 13 o 97.996  2.3782  1301.86   62.357    1367.86   88.064    1235.50   88.307    100.519 3.2709  95.473  3.4532  5.045952       4.756421 
1 1 1 10  -25 14 o 129.359 2.8157  2279.18   97.526    2343.46   137.753   2214.59   138.092   131.222 3.9193  127.497 4.0437  3.724472       5.631370 
1 1 1 10  -25 15 o 20.139  2.7934  57.068    14.520    57.554    20.969    56.620    20.125    20.210  4.0151  20.067  3.8846  0.1433163      5.586729 
1 1 1 10  -25 16 o 61.308  1.9741  507.566   32.401    486.955   45.151    529.450   46.524    60.022  2.8085  62.593  2.7750  -2.571033      3.948199 
1 1 1 10  -25 17 o 39.015  1.9479  206.872   20.203    195.816   28.489    218.058   28.655    37.947  2.8231  40.083  2.6846  -2.135956      3.895749 
1 1 1 10  -25 18 o 55.593  1.9487  419.092   28.931    436.691   40.644    401.016   41.190    56.831  2.6701  54.355  2.8391  2.476025       3.897374 
1 1 1 10  -25 19 o 29.345  2.3964  119.074   18.021    120.462   23.199    116.962   28.618    29.662  2.9595  29.027  3.7698  0.6344681      4.792719 
1 1 1 10  -25 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -25 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -25 22 o 31.601  2.9394  137.012   24.595    0.0000    0.0000    137.012   24.595    ?       ?       31.601  2.9394  ?              ?        
1 1 1 10  -25 23 o 38.971  1.9730  207.484   20.434    221.271   29.282    194.395   28.530    40.254  2.7320  37.687  2.8474  2.567020       3.946028 
1 1 1 10  -25 24 o 17.585  2.8434  43.873    13.419    63.124    19.797    27.512    18.251    21.131  3.6284  14.039  4.3787  7.092621       5.686723 
1 1 1 10  -25 25 o 55.104  2.0118  416.797   29.473    373.846   41.978    458.554   41.390    52.185  3.0160  58.022  2.6633  -5.836868      4.023638 
1 1 1 10  -25 26 o 24.403  2.5039  84.134    15.792    81.002    23.326    86.784    21.458    23.898  3.7690  24.909  3.2973  -1.010540      5.007742 
1 1 1 10  -25 27 o 43.366  2.0562  260.293   23.606    237.315   34.087    281.468   32.722    41.431  3.0939  45.300  2.7092  -3.868481      4.112469 
1 1 1 10  -25 28 o 10.535  2.8848  7.1512    12.627    -7.1029   17.957    21.093    17.759    8.4571  3.8000  12.614  4.3415  -4.156792      5.769631 
1 1 1 10  -25 29 o 11.976  2.9870  15.207    13.235    -1.2496   18.883    31.095    18.554    9.3264  4.0546  14.626  4.3873  -5.299619      5.973988 
1 1 1 10  -25 30 o 11.157  3.0542  12.580    12.984    15.827    19.249    9.8699    17.587    11.779  4.4540  10.535  4.1803  1.243931       6.108392 
1 1 1 10  -25 31 o 11.965  3.1609  16.743    13.808    10.814    19.434    22.787    19.622    10.968  4.3809  12.963  4.5577  -1.995610      6.321795 
1 1 1 10  -25 32 o 23.042  3.0148  79.707    17.845    74.461    26.140    84.285    24.421    22.148  4.5583  23.935  3.9469  -1.786551      6.029601 
1 1 1 10  -25 33 o 9.6026  2.9058  1.0717    13.573    -6.8936   18.937    9.4868    19.464    8.5602  3.8690  10.645  4.3365  -2.084841      5.811599 
1 1 1 10  -25 34 o 23.003  3.1356  81.725    18.617    84.566    26.473    78.945    26.188    23.447  4.3762  22.560  4.4917  0.8871193      6.271112 
1 1 1 10  -25 35 o 36.610  2.4995  197.634   24.204    198.974   34.279    196.301   34.181    36.743  3.5265  36.478  3.5430  0.2646103      4.998921 
1 1 1 10  -25 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -25 37 o 8.4001  2.7345  -16.2692  15.201    5.6799    21.277    -39.1541  21.726    10.036  4.3336  6.7638  3.3363  3.272581       5.469064 
1 1 1 10  -25 38 o 14.331  3.4005  32.268    18.141    59.992    25.241    2.6493    26.090    18.350  4.9996  10.312  4.6107  8.037239       6.801018 
1 1 1 10  -25 39 o 11.883  3.3913  17.580    17.928    35.318    24.921    -1.4455   25.810    13.971  5.1082  9.7943  4.4621  4.176908       6.782636 
1 1 1 10  -25 40 o 11.048  3.0974  1.5276    17.685    42.134    24.184    -45.1436  25.927    14.911  5.0678  7.1860  3.5626  7.724689       6.194723 
1 1 1 10  -25 41 o 11.935  3.5640  21.952    19.535    22.191    26.754    21.680    28.590    11.917  4.9907  11.953  5.0893  -0.3590488E-01 7.127923 
1 1 1 10  -25 42 o 10.628  3.3846  7.2201    20.881    24.045    29.537    -9.5896   29.524    11.938  5.1300  9.3177  4.4166  2.620002       6.769289 
1 1 1 10  -25 43 o 9.8493  3.2084  3.5759    19.922    15.592    27.846    -9.0237   28.514    10.708  4.7771  8.9908  4.2842  1.716940       6.416774 
1 1 1 10  -25 44 o 11.122  3.5229  23.510    21.854    10.026    29.919    38.931    31.996    9.9529  4.6303  12.291  5.3107  -2.338351      7.045816 
1 1 1 10  -24 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -24 1  o 27.458  2.0200  102.767   14.639    102.517   20.723    103.017   20.681    27.423  2.8636  27.492  2.8499  -0.6958008E-01 4.040019 
1 1 1 10  -24 2  o 78.340  2.1418  828.343   44.932    815.351   63.905    841.045   63.188    77.724  3.0696  78.955  2.9879  -1.231201      4.283699 
1 1 1 10  -24 3  o 68.353  2.0369  630.917   37.200    581.303   52.701    680.182   52.516    65.652  2.9970  71.054  2.7594  -5.402344      4.073816 
1 1 1 10  -24 4  o 94.798  2.3307  1214.26   59.130    1165.73   84.019    1261.87   83.232    92.901  3.3765  96.694  3.2137  -3.793579      4.661406 
1 1 1 10  -24 5  o 44.219  1.9122  264.312   22.521    277.010   31.921    251.729   31.777    45.289  2.6430  43.148  2.7641  2.140659       3.824334 
1 1 1 10  -24 6  o 50.525  1.9170  344.705   25.842    338.017   36.667    351.305   36.427    50.032  2.7467  51.019  2.6749  -0.9876175     3.834018 
1 1 1 10  -24 7  o 48.698  1.9723  320.611   25.547    291.931   35.891    350.065   36.373    46.465  2.8983  50.931  2.6756  -4.466133      3.944543 
1 1 1 10  -24 8  o 65.193  2.0310  572.457   35.450    551.469   49.952    593.753   50.317    63.983  2.9147  66.402  2.8291  -2.418865      4.061963 
1 1 1 10  -24 9  o 100.000 2.4118  1350.10   64.580    1392.03   91.521    1308.52   91.139    101.557 3.3645  98.443  3.4565  3.114677       4.823598 
1 1 1 10  -24 10 o 36.247  2.1386  178.150   20.480    157.304   28.448    200.578   29.508    34.011  3.1589  38.483  2.8837  -4.471745      4.277160 
1 1 1 10  -24 11 o 38.078  2.0525  196.642   20.750    201.652   28.906    191.317   29.804    38.595  2.8157  37.561  2.9871  1.033108       4.104956 
1 1 1 10  -24 12 o 97.422  2.3583  1281.83   61.510    1320.69   86.755    1242.55   87.224    98.921  3.2743  95.922  3.3949  2.998802       4.716601 
1 1 1 10  -24 13 o 22.340  2.6411  70.097    14.997    88.045    21.358    52.643    21.062    25.344  3.2190  19.336  4.1880  6.007750       5.282167 
1 1 1 10  -24 14 o 42.317  1.9163  242.137   21.598    241.023   30.103    243.319   31.006    42.221  2.6757  42.412  2.7441  -0.1912422     3.832679 
1 1 1 10  -24 15 o 20.316  2.5976  57.512    13.610    60.334    19.541    54.854    18.966    20.818  3.6368  19.814  3.7100  1.004274       5.195189 
1 1 1 10  -24 16 o 19.973  2.5926  55.642    13.352    58.843    19.203    52.645    18.579    20.550  3.6210  19.395  3.7114  1.154591       5.185235 
1 1 1 10  -24 17 o 32.264  2.0714  142.125   17.608    157.576   24.872    126.602   24.930    34.072  2.7488  30.455  3.0994  3.616772       4.142707 
1 1 1 10  -24 18 o 70.526  2.0114  672.065   37.959    705.920   53.675    638.191   53.690    72.319  2.7710  68.733  2.9163  3.585564       4.022864 
1 1 1 10  -24 19 o 60.319  1.9306  491.328   31.184    478.707   43.986    504.083   44.218    59.535  2.7584  61.103  2.7018  -1.568043      3.861122 
1 1 1 10  -24 20 o 44.469  1.9069  268.826   22.533    246.536   32.027    290.675   31.709    42.607  2.8223  46.332  2.5651  -3.725231      3.813852 
1 1 1 10  -24 21 o 56.314  1.8984  428.725   28.623    445.855   40.859    412.217   40.111    57.424  2.6565  55.204  2.7127  2.219933       3.796762 
1 1 1 10  -24 22 o 14.275  2.7210  27.642    12.041    7.1958    17.215    47.227    16.848    10.245  4.1122  18.305  3.5646  -8.059741      5.442097 
1 1 1 10  -24 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -24 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -24 25 o 65.565  2.0310  584.947   35.649    608.918   51.319    562.594   49.557    66.864  2.8655  64.266  2.8790  2.598717       4.061961 
1 1 1 10  -24 26 o 12.759  2.7363  17.980    12.212    41.085    17.506    -3.9215   17.044    16.896  3.9406  8.6216  3.7975  8.274656       5.472553 
1 1 1 10  -24 27 o 49.831  2.0047  339.417   26.614    359.361   38.788    321.674   36.585    51.213  2.8387  48.448  2.8316  2.765102       4.009498 
1 1 1 10  -24 28 o 42.947  2.0669  253.312   23.605    270.622   34.232    237.619   32.593    44.359  2.8970  41.535  2.9489  2.823944       4.133835 
1 1 1 10  -24 29 o 36.098  2.2751  184.874   21.187    146.008   30.758    219.966   29.227    32.208  3.6286  39.988  2.7454  -7.780491      4.550167 
1 1 1 10  -24 30 o 14.936  3.2364  32.353    14.184    34.112    20.052    30.592    20.067    15.281  4.5558  14.592  4.5980  0.6886320      6.472727 
1 1 1 10  -24 31 o 33.720  2.3399  160.082   20.818    155.264   30.059    164.524   28.860    33.167  3.4333  34.273  3.1801  -1.105583      4.679791 
1 1 1 10  -24 32 o 10.536  2.9275  5.5748    13.456    -12.2005  19.268    22.498    18.800    8.2280  3.7883  12.845  4.4644  -4.616619      5.855061 
1 1 1 10  -24 33 o 11.524  3.1807  12.734    14.834    0.8780    21.904    22.779    20.161    10.110  4.3810  12.939  4.6125  -2.829083      6.361463 
1 1 1 10  -24 34 o 45.202  2.3485  292.826   28.129    276.795   40.673    307.524   38.945    43.859  3.4911  46.544  3.1424  -2.684235      4.697073 
1 1 1 10  -24 35 o 15.685  3.4609  38.325    16.668    51.300    23.830    25.898    23.323    17.902  4.8495  13.468  4.9390  4.434446       6.921851 
1 1 1 10  -24 36 o 7.5673  2.5709  -25.7362  15.121    -21.1852  22.132    -29.7206  20.708    8.0030  3.8023  7.1316  3.4613  0.8713670      5.141781 
1 1 1 10  -24 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -24 38 o 20.126  3.6454  72.795    20.577    50.067    29.559    94.166    28.663    16.465  5.6027  23.788  4.6652  -7.322929      7.290751 
1 1 1 10  -24 39 o 25.561  3.5474  117.191   23.337    154.251   32.770    79.055    33.243    31.018  4.0402  20.104  5.8320  10.91429       7.094789 
1 1 1 10  -24 40 o 9.7069  3.1352  -3.8069   18.599    -17.2696  27.339    7.7922    25.377    8.8786  4.2206  10.535  4.6372  -1.656630      6.270356 
1 1 1 10  -24 41 o 8.4887  2.8275  -14.0048  16.926    -26.5316  24.707    -2.9267   23.235    7.8177  3.7911  9.1598  4.1961  -1.342096      5.655059 
1 1 1 10  -24 42 o 13.131  3.7664  32.764    20.804    26.260    29.404    39.284    29.440    12.380  5.2107  13.882  5.4398  -1.501977      7.532792 
1 1 1 10  -24 43 o 11.569  3.5418  21.369    20.543    12.022    30.240    29.379    27.994    10.795  4.8831  12.344  5.1317  -1.549629      7.083684 
1 1 1 10  -24 44 o 14.097  3.5806  38.408    23.077    -19.9888  34.167    87.394    31.293    8.9386  4.3623  19.256  5.6792  -10.31765      7.161245 
1 1 1 10  -23 0  o 80.572  2.1768  874.835   46.971    894.675   66.837    855.474   66.026    81.477  3.0626  79.667  3.0942  1.810181       4.353581 
1 1 1 10  -23 1  o 72.888  2.0733  715.412   40.470    711.285   57.665    719.419   56.811    72.677  2.9623  73.099  2.9015  -0.4225311     4.146595 
1 1 1 10  -23 2  o 65.398  2.0263  575.551   35.493    581.300   50.357    569.875   50.033    65.723  2.8606  65.073  2.8706  0.6501617      4.052547 
1 1 1 10  -23 3  o 96.827  2.3760  1264.44   61.578    1217.84   87.459    1310.25   86.715    95.043  3.4356  98.611  3.2831  -3.568207      4.752032 
1 1 1 10  -23 4  o 161.189 3.3210  3521.56   143.372   3502.65   203.523   3540.20   202.002   160.747 4.7269  161.632 4.6660  -0.8841553     6.641918 
1 1 1 10  -23 5  o 74.860  2.0948  753.904   42.000    768.969   59.724    739.165   59.074    75.601  2.9494  74.119  2.9756  1.482597       4.189652 
1 1 1 10  -23 6  o 24.192  2.2691  80.100    14.329    84.215    20.528    76.189    20.012    24.815  3.1601  23.568  3.2573  1.247677       4.538259 
1 1 1 10  -23 7  o 45.931  1.9435  284.657   23.797    288.803   33.574    280.472   33.734    46.271  2.7210  45.590  2.7758  0.6812744      3.886981 
1 1 1 10  -23 8  o 105.375 2.4700  1496.33   69.714    1488.44   98.700    1504.18   98.483    105.095 3.5063  105.654 3.4800  -0.5591431     4.940098 
1 1 1 10  -23 9  o 58.565  1.9803  461.177   31.056    460.914   43.447    461.453   44.409    58.551  2.7704  58.580  2.8303  -0.2922440E-01 3.960510 
1 1 1 10  -23 10 o 127.171 2.7891  2183.45   94.991    2138.19   134.169   2228.93   134.508   125.841 3.9805  128.502 3.9079  -2.661186      5.578220 
1 1 1 10  -23 11 o 101.837 2.4100  1398.03   65.706    1438.47   92.568    1356.97   93.281    103.334 3.3445  100.341 3.4708  2.993019       4.819955 
1 1 1 10  -23 12 o 140.773 2.9633  2679.35   111.735   2672.62   157.702   2686.12   158.335   140.597 4.1877  140.949 4.1939  -0.3526611     5.926694 
1 1 1 10  -23 13 o 107.274 2.4724  1552.08   71.027    1571.70   99.956    1532.07   100.946   107.967 3.4564  106.581 3.5361  1.386574       4.944768 
1 1 1 10  -23 14 o 138.430 2.9246  2592.80   108.422   2636.32   152.922   2548.81   153.746   139.614 4.0893  137.246 4.1823  2.367844       5.849299 
1 1 1 10  -23 15 o 83.949  2.1647  948.966   48.660    917.107   68.120    982.160   69.534    82.507  3.0825  85.390  3.0402  -2.882980      4.329454 
1 1 1 10  -23 16 o 73.078  2.0476  719.198   40.046    680.528   56.246    758.951   57.028    71.077  2.9544  75.078  2.8359  -4.000908      4.095227 
1 1 1 10  -23 17 o 42.499  1.9352  244.363   21.884    230.383   30.925    258.385   30.972    41.264  2.8148  43.734  2.6566  -2.469887      3.870455 
1 1 1 10  -23 18 o 21.582  2.4962  64.517    13.914    69.478    19.983    59.849    19.384    22.422  3.4369  20.741  3.6209  1.681059       4.992360 
1 1 1 10  -23 19 o 26.556  2.2386  96.413    15.595    101.719   22.555    91.553    21.586    27.268  3.1460  25.844  3.1857  1.423994       4.477273 
1 1 1 10  -23 20 o 66.498  1.9831  596.652   35.317    594.677   50.278    598.576   49.619    66.385  2.8276  66.610  2.7811  -0.2255020     3.966121 
1 1 1 10  -23 21 o 40.109  1.9417  218.055   20.728    222.427   29.761    213.937   28.886    40.499  2.7601  39.720  2.7318  0.7790146      3.883393 
1 1 1 10  -23 22 o 38.363  1.9471  199.338   19.843    214.777   28.860    185.495   27.327    39.780  2.7250  36.945  2.7819  2.835186       3.894182 
1 1 1 10  -23 23 o 50.770  1.9286  349.723   26.109    347.302   37.612    351.976   36.273    50.585  2.7867  50.954  2.6670  -0.3685608     3.857276 
1 1 1 10  -23 24 o 89.200  2.2880  1082.13   54.651    1112.53   78.218    1053.14   76.390    90.426  3.2294  87.974  3.2419  2.451996       4.575901 
1 1 1 10  -23 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -23 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -23 27 o 41.715  2.0337  238.462   22.538    235.937   32.812    240.717   31.011    41.473  2.9735  41.957  2.7752  -0.4834213     4.067341 
1 1 1 10  -23 28 o 9.1438  2.7394  0.4742    11.854    -6.1960   17.023    6.7527    16.516    8.3454  3.7283  9.9422  4.0147  -1.596784      5.478834 
1 1 1 10  -23 29 o 37.853  2.1292  197.538   21.383    200.679   31.118    194.727   29.433    38.117  3.0741  37.590  2.9469  0.5266800      4.258456 
1 1 1 10  -23 30 o 30.462  2.3464  129.468   18.797    132.867   27.603    126.529   25.669    30.807  3.4020  30.118  3.2325  0.6881504      4.692803 
1 1 1 10  -23 31 o 46.958  2.1453  305.208   26.825    317.806   38.518    293.345   37.379    47.910  3.0170  46.006  3.0507  1.904579       4.290534 
1 1 1 10  -23 32 o 11.757  3.0060  11.728    14.092    -10.2178  20.324    32.045    19.555    8.7133  3.9658  14.801  4.5186  -6.087799      6.012091 
1 1 1 10  -23 33 o 13.359  3.3358  23.897    15.187    16.129    22.137    30.804    20.875    12.190  4.7336  14.527  4.7015  -2.336810      6.671653 
1 1 1 10  -23 34 o 18.589  3.3592  53.603    17.123    40.139    24.395    66.678    24.040    16.175  5.0653  21.002  4.4136  -4.827826      6.718435 
1 1 1 10  -23 35 o 16.995  2.9416  40.583    17.374    -7.7183   24.833    86.901    24.317    9.7722  4.4224  24.217  3.8800  -14.44473      5.883173 
1 1 1 10  -23 36 o 12.617  3.2677  14.287    17.279    -16.5816  25.075    42.203    23.845    9.0255  4.2122  16.208  4.9968  -7.182512      6.535322 
1 1 1 10  -23 37 o 20.286  3.5883  68.360    19.818    86.605    28.596    51.498    27.491    23.173  4.7662  17.399  5.3654  5.774153       7.176630 
1 1 1 10  -23 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -23 39 o 14.611  3.7285  37.214    18.973    45.298    26.715    28.987    26.949    15.811  5.3267  13.411  5.2185  2.400766       7.456972 
1 1 1 10  -23 40 o 13.037  3.6416  27.929    18.872    31.152    25.928    24.297    27.520    13.452  5.1493  12.622  5.1508  0.8299541      7.283299 
1 1 1 10  -23 41 o 25.959  3.7087  124.238   24.889    107.522   35.140    141.066   35.259    23.562  5.6425  28.356  4.8144  -4.794231      7.417317 
1 1 1 10  -23 42 o 14.249  3.8770  40.239    21.573    51.836    29.545    26.994    31.573    15.799  5.5887  12.699  5.3751  3.099390       7.754066 
1 1 1 10  -23 43 o 10.280  3.2953  2.8231    20.029    -13.0879  27.658    20.368    29.044    8.9127  4.2392  11.648  5.0462  -2.735156      6.590519 
1 1 1 10  -23 44 f 11.989  3.4845  18.589    21.199    -20.9737  30.521    55.462    29.466    8.6500  4.1991  15.328  5.5620  -6.677691      6.969086 
1 1 1 10  -23 45 o 10.465  3.1832  19.023    15.382    13.778    31.500    20.665    17.626    10.356  4.7946  10.575  4.1884  -0.2191324     6.366409 
1 1 1 10  -22 0  o 100.406 2.4011  1357.56   64.569    1379.88   91.903    1335.79   90.737    101.222 3.3897  99.590  3.4016  1.632263       4.802182 
1 1 1 10  -22 1  o 62.890  1.9689  531.845   33.150    519.986   47.273    543.319   46.499    62.196  2.8377  63.585  2.7303  -1.388824      3.937873 
1 1 1 10  -22 2  o 75.599  2.0946  768.292   42.400    795.105   60.286    742.047   59.645    76.908  2.9265  74.291  2.9974  2.617157       4.189181 
1 1 1 10  -22 3  o 120.894 2.7087  1969.61   87.699    1944.06   124.511   1994.77   123.545   120.108 3.8703  121.680 3.7907  -1.571609      5.417449 
1 1 1 10  -22 4  o 96.259  2.3351  1247.10   60.164    1202.12   85.446    1291.33   84.729    94.527  3.3748  97.990  3.2282  -3.463364      4.670169 
1 1 1 10  -22 5  o 74.258  2.0680  740.905   41.118    767.865   58.461    714.513   57.843    75.598  2.8871  72.918  2.9616  2.679779       4.136018 
1 1 1 10  -22 6  o 19.213  2.4408  51.091    12.077    57.154    17.412    45.469    16.767    20.358  3.3066  18.067  3.5911  2.290382       4.881600 
1 1 1 10  -22 7  o 16.107  2.8168  36.858    12.235    27.960    17.998    44.503    16.682    14.346  4.3250  17.867  3.6101  -3.521614      5.633700 
1 1 1 10  -22 8  o 171.803 3.5072  3990.83   161.332   3870.39   228.387   4110.77   227.929   169.190 5.0397  174.417 4.8789  -5.226944      7.014472 
1 1 1 10  -22 9  o 139.972 2.9602  2641.39   110.981   2656.35   157.001   2626.43   156.901   140.370 4.1758  139.573 4.1970  0.7975159      5.920431 
1 1 1 10  -22 10 o 126.327 2.7614  2149.82   93.434    2142.42   131.834   2157.28   132.440   126.109 3.9029  126.545 3.9074  -0.4356384     5.522744 
1 1 1 10  -22 11 o 59.363  1.9833  473.145   31.502    444.009   44.012    503.751   45.109    57.486  2.8584  61.239  2.7501  -3.752766      3.966543 
1 1 1 10  -22 12 o 60.146  1.9758  486.961   31.769    510.516   44.348    462.131   45.532    61.650  2.6856  58.641  2.8988  3.008507       3.951678 
1 1 1 10  -22 13 f 165.981 3.3447  3725.76   148.661   3812.18   209.895   3638.77   210.584   167.934 4.6663  164.028 4.7931  3.905914       6.689450 
1 1 1 10  -22 14 o 49.536  1.9139  330.541   25.255    305.677   35.278    356.678   36.171    47.612  2.7784  51.460  2.6331  -3.847874      3.827878 
1 1 1 10  -22 15 o 90.306  2.2372  1097.23   54.109    1082.77   75.864    1112.21   77.196    89.701  3.1576  90.910  3.1703  -1.209412      4.474447 
1 1 1 10  -22 16 o 94.524  2.2717  1202.96   57.514    1199.03   81.096    1206.93   81.580    94.369  3.2083  94.678  3.2170  -0.3086853     4.543378 
1 1 1 10  -22 17 o 135.343 2.9046  2476.40   105.294   2483.78   148.835   2469.00   148.982   135.548 4.0994  135.139 4.1159  0.4088745      5.809130 
1 1 1 10  -22 18 o 94.473  2.2916  1203.25   57.969    1169.31   82.046    1237.08   81.914    93.134  3.2890  95.813  3.1919  -2.679169      4.583178 
1 1 1 10  -22 19 o 83.880  2.1375  947.974   48.018    969.471   68.186    926.825   67.632    84.827  3.0011  82.933  3.0446  1.893974       4.275080 
1 1 1 10  -22 20 f 75.679  2.0690  772.073   41.930    761.531   59.661    782.361   58.941    75.163  2.9635  76.196  2.8880  -1.033455      4.137949 
1 1 1 10  -22 21 o 38.151  1.9278  196.846   19.556    206.159   28.250    188.276   27.098    39.022  2.7198  37.281  2.7327  1.741138       3.855562 
1 1 1 10  -22 22 o 50.921  1.8987  349.470   25.795    379.526   37.298    321.912   35.714    53.063  2.6243  48.779  2.7446  4.283516       3.797343 
1 1 1 10  -22 23 o 98.390  2.3755  1311.80   62.594    1339.66   89.380    1284.97   87.688    99.417  3.3565  97.364  3.3624  2.052437       4.751011 
1 1 1 10  -22 24 o 43.746  1.9667  262.345   22.664    224.997   32.681    296.950   31.458    40.652  3.0231  46.840  2.5166  -6.188217      3.933472 
1 1 1 10  -22 25 o 13.147  2.8725  22.790    11.895    10.292    17.149    34.379    16.513    10.739  4.1673  15.555  3.9547  -4.815618      5.745087 
1 1 1 10  -22 26 o 36.798  2.0572  184.934   20.079    185.286   29.225    184.620   27.634    36.811  2.9899  36.785  2.8263  0.2635193E-01  4.114304 
1 1 1 10  -22 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -22 28 o 31.910  2.1989  140.246   18.543    144.869   26.834    136.021   25.653    32.411  3.1300  31.409  3.0893  1.002205       4.397763 
1 1 1 10  -22 29 o 46.768  2.0614  300.011   25.683    298.680   36.816    301.272   35.844    46.649  2.9619  46.887  2.8680  -0.2379646     4.122856 
1 1 1 10  -22 30 o 15.671  2.8034  32.657    14.327    0.1812    20.202    65.519    20.322    9.8737  4.2428  21.469  3.6655  -11.59530      5.606882 
1 1 1 10  -22 31 o 31.762  2.4945  144.846   20.198    113.592   29.516    172.370   27.698    28.216  4.0190  35.308  2.9560  -7.091883      4.989019 
1 1 1 10  -22 32 o 10.647  3.0094  7.9057    13.255    0.4704    18.272    16.166    19.258    9.3981  4.0366  11.896  4.4644  -2.497734      6.018703 
1 1 1 10  -22 33 o 13.849  3.3354  26.354    14.882    21.743    20.553    31.434    21.576    12.948  4.6527  14.751  4.7804  -1.803185      6.670846 
1 1 1 10  -22 34 f 14.452  3.4337  29.556    15.846    22.880    21.801    37.034    23.072    13.187  4.7843  15.718  4.9266  -2.530908      6.867381 
1 1 1 10  -22 35 o 11.926  3.0975  11.304    15.103    34.886    21.352    -12.3085  21.366    15.175  4.7366  8.6772  3.9929  6.498125       6.195082 
1 1 1 10  -22 36 o 7.6969  2.5585  -19.5006  13.727    -30.9665  19.219    -7.5596   19.613    6.7600  3.2930  8.6338  3.9165  -1.873804      5.116974 
1 1 1 10  -22 37 f 14.188  3.5069  29.145    17.522    45.135    24.506    12.419    25.063    16.647  5.0531  11.729  4.8640  4.918651       7.013721 
1 1 1 10  -22 38 o 18.874  7.2537  72.318    51.577    72.318    51.577    0.0000    0.0000    18.874  7.2537  ?       ?       ?              ?        
1 1 1 10  -22 39 o 28.317  3.4433  136.820   24.178    195.471   34.511    80.277    33.885    35.844  3.6454  20.789  5.8426  15.05418       6.886538 
1 1 1 10  -22 40 o 16.682  3.4262  46.290    19.146    83.667    27.746    12.310    26.454    22.047  4.8319  11.317  4.8589  10.72966       6.852436 
1 1 1 10  -22 41 o 10.779  3.3119  6.3103    18.379    -8.8969   25.187    23.630    26.880    9.1224  4.2454  12.435  5.0844  -3.312927      6.623797 
1 1 1 10  -22 42 o 15.287  3.8130  45.367    20.658    26.485    29.350    63.904    29.081    12.688  5.2629  17.885  5.5189  -5.196368      7.626072 
1 1 1 10  -22 43 o 7.5723  2.6118  -31.5732  17.401    -47.3278  24.707    -16.0663  24.512    6.8157  3.3952  8.3289  3.9697  -1.513202      5.223594 
1 1 1 10  -22 44 o 9.1079  2.9595  0.4385    13.976    8.7138    29.106    -2.0414   15.933    10.480  4.7605  7.7360  3.5173  2.743693       5.918928 
1 1 1 10  -22 45 o 24.976  3.4870  115.734   21.144    154.290   38.387    98.942    25.334    26.677  5.5529  23.275  4.2191  3.401665       6.973902 
1 1 1 10  -21 0  f 119.899 2.6643  1935.49   85.544    1903.58   121.520   1966.83   120.443   118.912 3.8153  120.887 3.7197  -1.974884      5.328532 
1 1 1 10  -21 1  o 137.536 2.9222  2549.16   107.594   2469.96   152.740   2627.17   151.589   135.399 4.2116  139.673 4.0520  -4.273544      5.844330 
1 1 1 10  -21 2  o 49.833  1.9106  334.373   25.403    329.129   35.969    339.591   35.882    49.440  2.7268  50.227  2.6769  -0.7868233     3.821112 
1 1 1 10  -21 3  o 43.606  1.8794  256.328   21.827    267.838   30.816    244.739   30.920    44.599  2.5909  42.613  2.7232  1.985878       3.758804 
1 1 1 10  -21 4  o 78.411  2.0927  825.658   43.947    822.200   62.499    829.040   61.807    78.247  2.9820  78.575  2.9367  -0.3280334     4.185327 
1 1 1 10  -21 5  o 47.615  1.8752  305.226   23.819    309.663   33.687    300.790   33.682    47.964  2.6323  47.266  2.6714  0.6978149      3.750355 
1 1 1 10  -21 6  o 57.091  1.9397  437.493   29.661    435.930   41.989    439.050   41.905    56.989  2.7508  57.193  2.7355  -0.2042999     3.879408 
1 1 1 10  -21 7  o 58.214  1.9342  454.883   30.136    432.080   42.367    478.237   42.875    56.735  2.7880  59.693  2.6816  -2.958633      3.868310 
1 1 1 10  -21 8  o 52.064  1.9044  364.678   26.461    354.591   37.110    375.111   37.742    51.328  2.7089  52.799  2.6775  -1.471180      3.808830 
1 1 1 10  -21 9  f 189.184 3.7765  4835.14   191.355   4774.15   270.591   4896.15   270.644   187.981 5.3742  190.388 5.3073  -2.407257      7.553045 
1 1 1 10  -21 10 o 152.923 3.1536  3151.39   129.148   3075.29   182.303   3228.06   182.984   151.059 4.5056  154.786 4.4136  -3.726318      6.307203 
1 1 1 10  -21 11 o 179.667 3.5664  4358.55   171.609   4424.19   242.429   4292.62   242.955   181.036 4.9995  178.299 5.0873  2.737152       7.132756 
1 1 1 10  -21 12 o 145.673 2.9983  2858.81   116.983   2868.32   164.949   2849.18   165.934   145.921 4.2203  145.425 4.2600  0.4956665      5.996534 
1 1 1 10  -21 13 o 122.730 2.6709  2027.40   87.786    2056.66   123.702   1997.71   124.600   123.629 3.7357  121.831 3.8183  1.797394       5.341788 
1 1 1 10  -21 14 o 135.233 2.8418  2463.21   102.932   2440.18   144.932   2486.65   146.211   134.595 4.0202  135.871 4.0176  -1.276138      5.683549 
1 1 1 10  -21 15 o 42.931  1.9140  248.534   21.873    234.314   30.759    263.079   31.108    41.677  2.7713  44.185  2.6406  -2.508244      3.827911 
1 1 1 10  -21 16 o 221.643 4.3247  6678.76   256.739   6734.33   362.952   6623.11   363.215   222.581 6.0880  220.706 6.1441  1.875854       8.649500 
1 1 1 10  -21 17 o 171.429 3.5104  3978.26   161.183   3941.79   227.907   4014.75   227.988   170.635 4.9866  172.223 4.9423  -1.588196      7.020841 
1 1 1 10  -21 18 o 45.692  1.8949  281.603   23.025    308.676   32.904    255.624   32.232    47.864  2.5761  43.521  2.7795  4.343281       3.789713 
1 1 1 10  -21 19 o 65.004  1.9568  567.959   34.041    601.078   48.678    536.261   47.622    66.863  2.7181  63.146  2.8156  3.716911       3.913515 
1 1 1 10  -21 20 o 65.213  1.9501  571.815   34.052    583.987   48.903    560.357   47.445    65.885  2.7711  64.541  2.7445  1.343887       3.900218 
1 1 1 10  -21 21 o 57.374  1.9379  443.129   29.742    441.580   43.139    444.532   41.061    57.271  2.8122  57.477  2.6671  -0.2062225     3.875834 
1 1 1 10  -21 22 o 49.214  1.9316  327.096   25.337    329.053   36.702    325.314   35.022    49.346  2.7882  49.082  2.6740  0.2645035      3.863267 
1 1 1 10  -21 23 o 71.541  2.0594  690.253   39.441    696.597   56.847    684.363   54.769    71.851  2.9538  71.232  2.8706  0.6189194      4.118884 
1 1 1 10  -21 24 o 57.375  1.9840  444.078   30.405    472.286   43.978    418.249   42.083    59.158  2.7755  55.591  2.8357  3.566811       3.967907 
1 1 1 10  -21 25 o 56.505  1.9867  432.042   29.992    432.492   43.300    431.627   41.583    56.487  2.8713  56.524  2.7466  -0.3678131E-01 3.973464 
1 1 1 10  -21 26 f 29.344  2.2070  118.434   17.008    113.547   24.832    122.752   23.343    28.729  3.2861  29.959  2.9470  -1.230579      4.414025 
1 1 1 10  -21 27 o 27.052  2.4569  104.255   16.764    79.390    24.519    126.079   22.971    23.748  3.9967  30.357  2.8588  -6.609131      4.913895 
1 1 1 10  -21 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -21 29 o 24.885  2.6344  88.069    16.511    114.864   23.738    62.953    22.982    28.831  3.1239  20.940  4.2429  7.891186       5.268864 
1 1 1 10  -21 30 o 59.782  2.1345  490.667   34.038    469.261   48.982    510.656   47.333    58.426  3.1415  61.138  2.8904  -2.712433      4.268908 
1 1 1 10  -21 31 o 14.999  3.1892  31.258    14.473    44.783    20.763    18.476    20.184    17.503  4.4261  12.495  4.5928  5.007928       6.378410 
1 1 1 10  -21 32 o 12.520  3.1906  19.431    13.675    21.026    19.841    17.988    18.874    12.848  4.5761  12.191  4.4473  0.6570740      6.381151 
1 1 1 10  -21 33 o 30.998  2.5358  135.733   20.487    157.139   29.593    116.030   28.391    33.474  3.3455  28.523  3.8116  4.950796       5.071529 
1 1 1 10  -21 34 o 29.354  2.7062  125.466   20.139    95.360    28.572    155.187   28.389    25.478  4.3427  33.230  3.2304  -7.751797      5.412421 
1 1 1 10  -21 35 o 23.681  3.0459  83.471    18.494    82.281    27.693    84.429    24.847    23.374  4.5871  23.988  4.0087  -0.6135445     6.091875 
1 1 1 10  -21 36 o 9.8038  3.0147  0.2356    14.827    3.5994    20.426    -3.5118   21.558    10.082  4.2974  9.5253  4.2292  0.5569563      6.029458 
1 1 1 10  -21 37 o 13.374  3.5105  24.866    16.758    26.145    23.641    23.574    23.758    13.566  4.9730  13.182  4.9563  0.3842478      7.021071 
1 1 1 10  -21 38 o 10.856  3.1827  7.4029    15.837    20.244    22.341    -5.5663   22.452    12.385  4.7703  9.3274  4.2146  3.057990       6.365405 
1 1 1 10  -21 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -21 40 o 40.443  2.7690  255.013   29.603    246.282   41.768    263.827   41.963    39.641  3.9879  41.245  3.8426  -1.604435      5.537988 
1 1 1 10  -21 41 o 13.670  3.6573  29.993    19.408    12.554    27.031    48.549    27.884    11.328  4.8878  16.013  5.4417  -4.685730      7.314532 
1 1 1 10  -21 42 f 9.6670  2.4492  8.7503    11.358    -49.6198  23.653    26.242    12.948    6.6059  3.2957  12.728  3.6238  -6.122203      4.898324 
1 1 1 10  -21 43 o 10.756  3.2024  12.660    13.963    22.766    27.740    9.2299    16.160    12.130  5.0809  9.3815  3.8994  2.748741       6.404755 
1 1 1 10  -21 44 o 18.230  3.7519  63.261    18.325    82.889    33.098    54.586    22.005    19.383  5.8700  17.077  4.6744  2.305380       7.503790 
1 1 1 10  -21 45 o 13.563  3.6286  30.487    16.317    69.191    32.576    17.524    18.853    16.665  5.8713  10.461  4.2655  6.203482       7.257180 
1 1 1 10  -21 46 o 11.567  3.3717  29.366    17.048    21.406    32.407    32.411    20.045    10.841  4.9622  12.294  4.5663  -1.453558      6.743446 
1 1 1 10  -20 0  o 44.014  1.8882  260.918   22.153    260.391   31.525    261.431   31.137    43.968  2.6898  44.060  2.6507  -0.9175110E-01 3.776396 
1 1 1 10  -20 1  o 48.612  1.8769  318.743   24.271    288.427   34.563    348.236   34.091    46.274  2.8018  50.950  2.4981  -4.675495      3.753733 
1 1 1 10  -20 2  o 213.950 4.1695  6186.65   238.920   6128.39   338.629   6244.40   337.143   212.933 5.9373  214.966 5.8554  -2.032974      8.338912 
1 1 1 10  -20 3  o 61.998  1.9426  516.024   32.233    491.218   45.537    540.933   45.631    60.501  2.8100  63.495  2.6831  -2.993538      3.885252 
1 1 1 10  -20 4  o 186.614 3.7289  4698.12   186.345   4600.40   264.153   4794.91   262.914   184.665 5.3405  188.563 5.2056  -3.897705      7.457809 
1 1 1 10  -20 5  o 103.663 2.4100  1443.36   66.915    1458.03   95.009    1428.92   94.259    104.186 3.4046  103.140 3.4120  1.045830       4.820044 
1 1 1 10  -20 6  o 24.082  2.2587  80.467    13.824    61.070    19.563    99.811    19.536    21.026  3.6033  27.138  2.7244  -6.112312      4.517339 
1 1 1 10  -20 7  o 144.740 3.0245  2819.58   117.221   2743.55   165.913   2895.35   165.638   142.782 4.3383  146.699 4.2155  -3.916824      6.049039 
1 1 1 10  -20 8  o 85.059  2.1668  971.311   49.345    934.125   69.440    1009.24   70.134    83.411  3.1081  86.706  3.0199  -3.295105      4.333560 
1 1 1 10  -20 9  o 173.751 3.4896  4069.76   162.368   4161.79   229.567   3977.63   229.680   175.729 4.8773  171.772 4.9921  3.957718       6.979167 
1 1 1 10  -20 10 o 113.055 2.4958  1717.40   75.575    1700.05   106.435   1735.04   107.330   112.479 3.5328  113.631 3.5264  -1.152443      4.991650 
1 1 1 10  -20 11 o 69.138  1.9831  641.347   36.717    627.388   51.393    655.899   52.475    68.370  2.8064  69.907  2.8025  -1.536430      3.966107 
1 1 1 10  -20 12 o 210.773 4.0947  6006.42   231.160   6048.28   326.512   5964.35   327.307   211.519 5.7632  210.027 5.8182  1.491669       8.189376 
1 1 1 10  -20 13 o 68.578  1.9552  631.496   35.895    640.695   50.193    621.866   51.353    69.092  2.7122  68.064  2.8168  1.028557       3.910330 
1 1 1 10  -20 14 f 260.275 5.0303  9212.39   350.678   9278.08   495.610   9146.53   496.257   261.221 7.0834  259.329 7.1444  1.892334       10.06067 
1 1 1 10  -20 15 o 181.060 3.5858  4426.52   173.881   4347.46   245.625   4505.95   246.187   179.427 5.1109  182.692 5.0310  -3.264572      7.171625 
1 1 1 10  -20 16 o 194.968 3.8470  5141.74   200.877   5058.82   283.970   5224.80   284.197   193.379 5.4824  196.556 5.3981  -3.176743      7.693954 
1 1 1 10  -20 17 o 68.595  1.9801  631.840   36.375    646.636   51.744    617.384   51.147    69.390  2.7840  67.800  2.8164  1.589905       3.960183 
1 1 1 10  -20 18 o 104.333 2.4352  1465.61   67.997    1406.12   96.565    1524.12   95.765    102.220 3.5269  106.446 3.3588  -4.226685      4.870389 
1 1 1 10  -20 19 o 100.861 2.3578  1368.65   63.690    1394.08   90.649    1343.85   89.505    101.787 3.3249  99.934  3.3438  1.853249       4.715537 
1 1 1 10  -20 20 o 57.903  1.9126  449.901   29.640    469.645   42.924    431.905   40.980    59.115  2.7109  56.691  2.6988  2.424076       3.825230 
1 1 1 10  -20 21 o 31.723  2.1256  135.186   17.722    158.124   26.536    116.720   23.809    34.158  2.9287  29.287  3.0814  4.870878       4.251116 
1 1 1 10  -20 22 o 82.150  2.1694  908.672   47.721    923.993   68.523    894.245   66.496    82.819  3.0890  81.482  3.0468  1.337624       4.338796 
1 1 1 10  -20 23 o 59.313  1.9787  473.329   31.417    485.381   45.401    462.256   43.519    60.034  2.8235  58.592  2.7730  1.441780       3.957474 
1 1 1 10  -20 24 o 79.244  2.1744  847.264   46.145    858.708   66.020    836.333   64.523    79.764  3.0901  78.724  3.0600  1.040131       4.348862 
1 1 1 10  -20 25 o 67.635  2.0579  617.422   37.272    625.273   53.413    609.971   52.034    68.050  2.9304  67.220  2.8900  0.8303223      4.115761 
1 1 1 10  -20 26 o 72.372  2.1211  708.784   41.097    700.613   58.833    716.571   57.432    71.951  3.0528  72.792  2.9456  -0.8409271     4.242198 
1 1 1 10  -20 27 o 34.554  2.1503  163.003   19.555    188.428   28.234    139.564   27.109    37.201  2.8553  31.907  3.2160  5.294523       4.300589 
1 1 1 10  -20 28 o 53.993  2.0750  396.804   29.879    398.888   43.035    394.865   41.516    54.117  2.9804  53.870  2.8878  0.2466812      4.149993 
1 1 1 10  -20 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -20 30 o 12.857  3.1113  20.899    13.132    27.971    18.781    14.135    18.368    14.173  4.4454  11.542  4.3541  2.630302       6.222521 
1 1 1 10  -20 31 o 10.642  2.8004  6.2459    12.127    25.238    17.705    -10.5387  16.644    13.509  4.3255  7.7754  3.5580  5.733810       5.600840 
1 1 1 10  -20 32 o 7.4253  2.4373  -14.7709  11.821    -7.3189   16.350    -22.9340  17.112    8.0137  3.6110  6.8369  3.2744  1.176732       4.874526 
1 1 1 10  -20 33 o 27.047  2.8147  106.712   19.086    136.772   26.932    76.380    27.053    31.293  3.2611  22.801  4.5885  8.491632       5.629300 
1 1 1 10  -20 34 o 48.469  2.2533  326.727   28.998    362.329   41.838    293.815   40.227    51.081  3.0722  45.856  3.2972  5.224747       4.506622 
1 1 1 10  -20 35 o 8.0451  2.6237  -12.4664  13.166    -15.3693  19.186    -9.8825   18.101    7.9398  3.6985  8.1504  3.7224  -0.2105846     5.247377 
1 1 1 10  -20 36 o 8.7619  2.8152  -10.2000  14.600    -18.1098  20.819    -2.5455   20.480    8.0898  3.7957  9.4341  4.1586  -1.344258      5.630375 
1 1 1 10  -20 37 o 30.519  2.8432  137.834   22.664    141.791   32.716    134.182   31.426    30.927  4.0465  30.111  3.9951  0.8153820      5.686388 
1 1 1 10  -20 38 o 15.577  3.6623  38.782    17.862    38.464    25.809    39.074    24.745    15.526  5.2355  15.628  5.1225  -0.1020441     7.324640 
1 1 1 10  -20 39 f 15.305  6.7343  27.593    53.475    27.593    53.475    0.0000    0.0000    15.305  6.7343  ?       ?       ?              ?        
1 1 1 10  -20 40 o 9.4379  3.0310  -5.9761   16.857    2.9287    24.031    -14.6034  23.654    10.223  4.5055  8.6532  4.0555  1.569314       6.061904 
1 1 1 10  -20 41 o 12.819  3.3540  26.082    14.493    25.773    27.207    26.205    17.126    12.937  5.1777  12.702  4.2649  0.2350817      6.708026 
1 1 1 10  -20 42 o 15.367  3.5339  37.140    16.026    65.370    28.870    24.568    19.266    18.462  5.4578  12.272  4.4907  6.190192       7.067822 
1 1 1 10  -20 43 o 17.808  3.6176  54.470    16.947    77.460    31.396    45.017    20.131    19.668  5.6568  15.948  4.5109  3.719816       7.235153 
1 1 1 10  -20 44 o 9.7063  3.0475  6.2048    15.109    -2.2320   28.613    9.4669    17.792    9.8469  4.5628  9.5658  4.0411  0.2811451      6.095078 
1 1 1 10  -20 45 o 7.7741  2.6402  -11.7697  13.239    -8.7287   27.254    -12.7090  15.147    8.9984  4.2589  6.5499  3.1215  2.448504       5.280309 
1 1 1 10  -20 46 o 17.313  3.6009  70.892    18.616    59.653    34.755    75.415    22.045    14.492  5.8338  20.133  4.2228  -5.641133      7.201721 
1 1 1 10  -19 0  o 120.358 2.6725  1946.45   86.136    2004.31   122.428   1889.73   121.211   122.133 3.7425  118.583 3.8162  3.550278       5.345051 
1 1 1 10  -19 1  o 19.856  2.3794  54.607    12.154    48.183    17.233    60.966    17.144    18.628  3.5839  21.084  3.1309  -2.455954      4.758882 
1 1 1 10  -19 2  f 103.388 2.4111  1436.12   66.732    1389.82   94.731    1481.73   94.021    101.727 3.4767  105.048 3.3416  -3.320938      4.822157 
1 1 1 10  -19 3  o 48.346  1.8676  314.566   24.076    300.680   33.970    328.579   34.127    47.266  2.6944  49.426  2.5868  -2.160069      3.735131 
1 1 1 10  -19 4  o 92.440  2.2569  1147.51   55.861    1115.70   79.186    1179.02   78.813    91.161  3.2430  93.719  3.1396  -2.558289      4.513824 
1 1 1 10  -19 5  o 71.084  4.0986  681.646   77.706    0.0000    0.0000    681.646   77.706    ?       ?       71.084  4.0986  ?              ?        
1 1 1 10  -19 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -19 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -19 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -19 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -19 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -19 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -19 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -19 13 o 92.767  4.6994  1162.27   116.387   0.0000    0.0000    1162.27   116.387   ?       ?       92.767  4.6994  ?              ?        
1 1 1 10  -19 14 o 21.879  2.5161  67.293    13.924    49.757    19.838    84.320    19.548    18.875  4.0455  24.883  2.9930  -6.007977      5.032257 
1 1 1 10  -19 15 f 88.920  2.1553  1061.75   51.331    1050.30   72.610    1073.19   72.575    88.439  3.0652  89.401  3.0308  -0.9611282     4.310609 
1 1 1 10  -19 16 o 241.622 4.6590  7919.58   301.511   7994.03   426.689   7845.34   426.115   242.768 6.5619  240.475 6.6156  2.293243       9.317965 
1 1 1 10  -19 17 o 17.429  2.5522  43.391    12.875    80.446    18.309    7.1448    18.108    24.310  2.8669  10.547  4.2231  13.76323       5.104311 
1 1 1 10  -19 18 o 33.762  1.9762  154.039   17.703    155.880   25.469    152.317   24.624    33.955  2.8261  33.569  2.7632  0.3860168      3.952427 
1 1 1 10  -19 19 o 58.941  1.9059  466.375   30.078    469.790   43.188    463.159   41.914    59.148  2.7261  58.733  2.6644  0.4154434      3.811850 
1 1 1 10  -19 20 o 155.725 3.2202  3274.22   134.314   3291.25   190.929   3257.53   188.982   156.123 4.5658  155.328 4.5424  0.7951050      6.440466 
1 1 1 10  -19 21 o 116.447 2.6241  1827.51   81.819    1807.03   116.784   1847.26   114.664   115.796 3.7653  117.099 3.6558  -1.302773      5.248118 
1 1 1 10  -19 22 o 88.556  2.2775  1057.66   53.925    1006.55   77.265    1106.20   75.295    86.450  3.3368  90.663  3.1006  -4.213142      4.555020 
1 1 1 10  -19 23 o 57.774  1.9962  448.594   30.872    465.372   44.577    433.129   42.795    58.810  2.8299  56.737  2.8160  2.072567       3.992313 
1 1 1 10  -19 24 o 103.130 2.4899  1436.78   68.760    1417.06   97.985    1455.92   96.514    102.420 3.5718  103.840 3.4701  -1.419891      4.979872 
1 1 1 10  -19 25 o 53.890  2.0697  392.690   29.744    393.832   42.859    391.629   41.313    53.957  2.9770  53.824  2.8761  0.1335564      4.139408 
1 1 1 10  -19 26 o 91.148  2.3497  1125.29   57.309    1079.93   81.589    1169.46   80.517    89.308  3.4108  92.988  3.2327  -3.679604      4.699375 
1 1 1 10  -19 27 o 12.182  2.9025  14.216    12.676    33.538    18.521    -2.8092   17.386    15.439  4.3127  8.9257  3.8855  6.513249       5.804915 
1 1 1 10  -19 28 o 46.749  2.0622  296.834   25.666    304.326   37.333    290.120   35.343    47.299  2.9618  46.199  2.8704  1.099442       4.124456 
1 1 1 10  -19 29 o 19.815  2.9518  55.934    15.147    56.581    22.149    55.365    20.760    19.901  4.2822  19.729  4.0638  0.1719494      5.903549 
1 1 1 10  -19 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -19 31 o 27.093  2.5853  103.418   18.156    95.007    26.350    111.021   25.052    25.936  3.9149  28.250  3.3778  -2.313969      5.170665 
1 1 1 10  -19 32 o 70.884  2.2821  690.670   43.310    717.518   61.548    664.338   60.954    72.275  3.1793  69.493  3.2747  2.782837       4.564197 
1 1 1 10  -19 33 o 42.839  2.2856  254.303   25.950    280.202   37.223    229.809   36.198    45.027  3.1053  40.651  3.3544  4.375732       4.571105 
1 1 1 10  -19 34 o 53.056  2.2686  390.996   32.030    420.010   45.615    362.776   44.987    55.064  3.1055  51.048  3.3079  4.015194       4.537221 
1 1 1 10  -19 35 o 22.190  3.1223  72.992    17.890    87.590    25.615    59.091    24.996    24.568  4.0325  19.812  4.7681  4.756746       6.244658 
1 1 1 10  -19 36 o 45.440  2.3976  292.047   28.961    299.264   40.879    284.775   41.035    46.044  3.3373  44.837  3.4432  1.206974       4.795150 
1 1 1 10  -19 37 o 11.648  3.3585  11.806    16.530    10.520    23.980    12.971    22.818    11.579  4.7761  11.717  4.7232  -0.1376505     6.717098 
1 1 1 10  -19 38 o 33.881  2.8707  173.227   24.813    136.350   35.400    208.845   34.790    29.795  4.5826  37.968  3.4589  -8.173346      5.741455 
1 1 1 10  -19 39 o 15.177  3.1303  39.509    14.392    17.057    26.566    48.835    17.122    12.405  5.0613  17.949  3.6848  -5.544168      6.260581 
1 1 1 10  -19 40 o 8.2147  3.7231  -5.3121   17.675    0.0000    0.0000    -5.3121   17.675    ?       ?       8.2147  3.7231  ?              ?        
1 1 1 10  -19 41 o 18.547  3.0914  66.291    16.237    26.943    28.622    84.964    19.717    13.262  5.3097  23.831  3.1674  -10.56871      6.182723 
1 1 1 10  -19 42 o 29.708  2.7830  135.182   20.415    158.605   35.953    124.035   24.802    30.873  4.4785  28.543  3.3052  2.329876       5.566092 
1 1 1 10  -19 43 f 17.504  3.5667  55.971    16.932    59.417    30.467    54.431    20.366    17.139  5.6872  17.869  4.3060  -0.7307129     7.133385 
1 1 1 10  -19 44 o 25.227  3.2929  108.895   20.140    122.195   35.619    102.644   24.418    25.252  5.4276  25.201  3.7300  0.5115509E-01  6.585789 
1 1 1 10  -19 45 o 19.226  3.7812  68.755    18.767    98.740    35.018    56.673    22.229    21.116  5.9413  17.335  4.6787  3.781328       7.562360 
1 1 1 10  -19 46 o 10.532  3.2661  10.144    15.228    38.892    30.949    0.9617    17.491    12.879  5.3783  8.1849  3.7071  4.693705       6.532115 
1 1 1 10  -18 0  o 98.339  2.8981  1317.51   71.944    1246.08   122.821   1354.82   88.767    96.218  4.7657  100.459 3.2989  -4.241203      5.796120 
1 1 1 10  -18 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -18 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -18 3  o 69.656  1.9953  651.854   37.149    602.909   52.532    700.815   52.540    67.032  2.9258  72.280  2.7138  -5.247597      3.990665 
1 1 1 10  -18 4  o 35.609  1.7707  170.903   16.776    165.742   23.674    176.108   23.776    35.063  2.5379  36.154  2.4700  -1.091324      3.541461 
1 1 1 10  -18 5  o 135.710 2.8464  2476.19   103.430   2409.35   146.613   2542.41   145.934   133.879 4.0886  137.542 3.9613  -3.662888      5.692804 
1 1 1 10  -18 6  o 118.717 2.6032  1893.64   82.753    1844.21   117.143   1942.89   116.919   117.164 3.7328  120.269 3.6295  -3.104080      5.206397 
1 1 1 10  -18 7  o 131.670 2.7835  2330.13   98.160    2297.82   138.789   2362.46   138.851   130.754 3.9629  132.587 3.9098  -1.832550      5.566981 
1 1 1 10  -18 8  o 77.817  2.0423  812.404   42.564    797.120   59.814    828.082   60.582    77.075  2.8973  78.558  2.8791  -1.483574      4.084594 
1 1 1 10  -18 9  o 130.828 2.7843  2300.47   97.557    2258.76   137.534   2342.71   138.403   129.631 3.9611  132.024 3.9139  -2.392593      5.568501 
1 1 1 10  -18 10 o 177.893 3.5034  4263.33   166.914   4323.33   235.738   4203.02   236.369   179.157 4.9125  176.629 4.9962  2.527695       7.006790 
1 1 1 10  -18 11 o 178.594 3.5242  4297.52   168.583   4311.42   238.038   4283.52   238.789   178.887 4.9680  178.300 5.0000  0.5865173      7.048472 
1 1 1 10  -18 12 o 197.851 3.8680  5281.56   204.980   5240.33   289.507   5323.01   290.266   197.073 5.4846  198.629 5.4559  -1.556381      7.736095 
1 1 1 10  -18 13 o 95.599  2.2221  1227.09   56.884    1189.32   80.183    1265.37   80.711    94.115  3.1808  97.083  3.1038  -2.968346      4.444234 
1 1 1 10  -18 14 o 57.531  2.0900  434.591   31.236    403.869   39.200    488.031   51.701    54.864  2.6675  60.199  3.2181  -5.335438      4.179914 
1 1 1 10  -18 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -18 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -18 17 o 40.402  1.9030  220.320   20.431    214.853   29.664    225.255   28.180    39.912  2.7924  40.891  2.5862  -0.9792633     3.806032 
1 1 1 10  -18 18 o 141.049 2.9387  2678.12   111.018   2686.97   157.842   2669.46   156.178   141.277 4.1712  140.821 4.1406  0.4557495      5.877390 
1 1 1 10  -18 19 o 48.608  1.8800  317.672   24.352    325.788   35.529    310.481   33.443    49.190  2.7070  48.026  2.6095  1.163738       3.760012 
1 1 1 10  -18 20 o 74.216  2.0504  738.967   40.734    774.294   58.669    706.090   56.598    75.928  2.8848  72.505  2.9144  3.423256       4.100733 
1 1 1 10  -18 21 o 85.010  2.1860  971.180   49.760    977.075   71.370    965.603   69.412    85.257  3.1253  84.762  3.0573  0.4952469      4.372082 
1 1 1 10  -18 22 o 68.244  2.0543  625.682   37.529    633.926   54.137    618.056   52.072    68.673  2.9431  67.815  2.8668  0.8586502      4.108577 
1 1 1 10  -18 23 o 81.541  2.2218  895.443   48.484    874.381   69.499    915.411   67.672    80.596  3.2194  82.485  3.0630  -1.889160      4.443682 
1 1 1 10  -18 24 o 161.895 3.3873  3557.71   146.842   3471.79   208.180   3642.79   207.157   159.918 4.8602  163.872 4.7196  -3.953949      6.774646 
1 1 1 10  -18 25 o 106.794 2.5645  1541.35   73.339    1522.69   104.470   1559.48   102.978   106.144 3.6746  107.444 3.5783  -1.299881      5.129028 
1 1 1 10  -18 26 o 50.688  2.0701  349.388   27.829    322.243   40.408    373.882   38.384    48.766  3.1097  52.609  2.7334  -3.842758      4.140265 
1 1 1 10  -18 27 o 7.7662  2.4683  -9.4696   11.110    -0.5785   15.227    -19.5878  16.244    8.6274  3.6947  6.9051  3.2739  1.722343       4.936551 
1 1 1 10  -18 28 o 91.955  2.3759  1147.68   58.448    1219.56   83.121    1077.37   82.204    94.835  3.2723  89.075  3.4455  5.759895       4.751750 
1 1 1 10  -18 29 o 48.163  2.0969  316.191   26.871    299.252   38.334    332.554   37.678    46.861  3.0711  49.466  2.8559  -2.604778      4.193811 
1 1 1 10  -18 30 o 42.029  2.5059  244.386   26.969    247.900   34.174    238.584   43.912    42.592  3.0151  41.467  4.0034  1.125641       5.011755 
1 1 1 10  -18 31 o 36.631  5.4429  193.774   51.780    0.0000    0.0000    193.774   51.780    ?       ?       36.631  5.4429  ?              ?        
1 1 1 10  -18 32 o 23.447  2.8217  79.007    16.935    66.865    24.353    90.377    23.565    21.517  4.3746  25.377  3.5652  -3.860847      5.643418 
1 1 1 10  -18 33 o 48.566  2.2465  325.593   29.058    317.553   40.922    333.768   41.267    47.946  3.2050  49.186  3.1489  -1.239616      4.493027 
1 1 1 10  -18 34 o 44.603  2.3128  276.595   27.409    266.413   39.076    286.456   38.457    43.746  3.3606  45.460  3.1784  -1.713631      4.625538 
1 1 1 10  -18 35 o 68.117  2.3785  648.297   43.149    703.689   60.745    591.885   61.302    71.239  3.1835  64.995  3.5346  6.244179       4.756920 
1 1 1 10  -18 36 o 19.221  3.2200  56.927    17.501    26.815    25.095    85.436    24.418    14.171  5.1344  24.271  3.8872  -10.10051      6.439928 
1 1 1 10  -18 37 o 59.157  2.4171  497.208   38.083    518.739   53.458    475.021   54.266    60.567  3.3077  57.746  3.5254  2.821739       4.834183 
1 1 1 10  -18 38 o 9.2579  2.7696  3.9386    11.620    -9.6554   22.030    9.1782    13.677    9.0073  4.1109  9.5086  3.7127  -0.5013075     5.539299 
1 1 1 10  -18 39 o 9.4149  2.8705  1.0562    11.748    10.560    22.770    -2.3911   13.714    11.185  4.6371  7.6450  3.3848  3.539768       5.741024 
1 1 1 10  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -18 41 o 31.909  2.5957  151.072   20.849    172.081   35.652    140.152   25.702    33.065  4.1145  30.752  3.1656  2.313053       5.191368 
1 1 1 10  -18 42 o 15.139  3.3191  31.104    14.849    68.615    27.203    15.184    17.722    19.561  5.1289  10.718  4.2141  8.843740       6.638133 
1 1 1 10  -18 43 f 20.838  3.5196  77.005    18.364    80.833    33.068    75.299    22.082    20.154  5.8080  21.522  3.9772  -1.367811      7.039270 
1 1 1 10  -18 44 o 23.556  3.4414  97.918    19.636    103.322   35.262    95.490    23.641    22.743  5.7772  24.370  3.7414  -1.626741      6.882894 
1 1 1 10  -18 45 o 11.153  3.1482  -9.3977   14.538    58.966    29.556    -31.2183  16.698    16.504  5.6025  5.8019  2.8732  10.70210       6.296337 
1 1 1 10  -18 46 o 13.046  3.6451  32.323    17.107    53.221    32.964    24.620    20.013    14.552  5.7393  11.539  4.4952  3.013187       7.290124 
1 1 1 10  -17 0  o 96.242  2.3326  1243.42   60.122    1233.44   85.527    1253.16   84.532    95.859  3.3311  96.626  3.2662  -0.7674942     4.665174 
1 1 1 10  -17 1  o 77.974  2.0713  816.462   43.217    782.760   61.519    849.298   60.724    76.380  3.0071  79.568  2.8492  -3.187675      4.142532 
1 1 1 10  -17 2  o 81.844  2.0937  900.545   45.777    829.540   64.963    970.578   64.516    78.626  3.0847  85.061  2.8317  -6.434753      4.187334 
1 1 1 10  -17 3  o 166.695 3.3542  3740.82   149.640   3577.76   212.071   3902.50   211.177   163.057 4.8557  170.333 4.6287  -7.276245      6.708416 
1 1 1 10  -17 4  f 347.427 6.5862  16451.03  612.857   16239.87  867.208   16661.71  866.214   345.157 9.3803  349.697 9.2479  -4.540100      13.17250 
1 1 1 10  -17 5  o 73.391  1.9829  722.539   38.975    713.247   55.159    731.806   55.080    72.919  2.8241  73.863  2.7841  -0.9442749     3.965714 
1 1 1 10  -17 6  o 176.248 3.5147  4181.18   165.922   4200.72   234.859   4161.70   234.439   176.660 4.9634  175.835 4.9778  0.8249969      7.029476 
1 1 1 10  -17 7  o 47.745  1.7673  306.356   22.515    300.060   31.372    313.043   32.330    47.238  2.4883  48.251  2.5103  -1.012188      3.534522 
1 1 1 10  -17 8  o 146.584 3.0068  2889.22   118.023   2961.57   166.682   2816.47   167.138   148.433 4.1925  144.736 4.3113  3.697403       6.013681 
1 1 1 10  -17 9  o 45.070  1.7524  273.464   21.047    278.926   29.235    267.587   30.326    45.545  2.4050  44.596  2.5494  0.9493103      3.504728 
1 1 1 10  -17 10 o 107.862 2.4014  1562.02   69.375    1558.10   97.682    1566.01   98.546    107.726 3.3854  107.998 3.4067  -0.2715378     4.802749 
1 1 1 10  -17 11 f 53.336  1.7512  381.306   25.010    371.511   34.908    391.639   35.851    52.633  2.4762  54.040  2.4769  -1.406971      3.502315 
1 1 1 10  -17 12 o 48.298  1.7077  313.415   22.038    322.207   30.966    304.390   31.372    49.018  2.3585  47.577  2.4703  1.441402       3.415424 
1 1 1 10  -17 13 o 122.765 2.6089  2025.01   85.788    2021.17   121.281   2028.85   121.364   122.649 3.6918  122.882 3.6873  -0.2331467     5.217854 
1 1 1 10  -17 14 o 158.523 3.2220  3382.78   136.806   3406.73   193.666   3358.94   193.281   159.085 4.5450  157.961 4.5683  1.123932       6.444079 
1 1 1 10  -17 15 f 89.100  2.1374  1065.73   51.006    1062.84   72.520    1068.56   71.753    88.980  3.0428  89.221  3.0025  -0.2417145     4.274781 
1 1 1 10  -17 16 o 257.991 4.9769  9030.83   343.909   9099.67   487.147   8962.43   485.580   258.979 7.0227  257.004 7.0539  1.975189       9.953742 
1 1 1 10  -17 17 o 106.840 4.8725  1538.64   139.438   1538.64   139.438   0.0000    0.0000    106.840 4.8725  ?       ?       ?              ?        
1 1 1 10  -17 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -17 19 o 23.333  2.5952  77.164    15.233    57.766    22.258    94.252    20.891    20.343  4.2232  26.323  3.0176  -5.979815      5.190453 
1 1 1 10  -17 20 o 79.255  2.1152  844.072   44.871    827.379   64.275    859.942   62.670    78.486  3.0575  80.025  2.9238  -1.539536      4.230440 
1 1 1 10  -17 21 o 172.169 3.5125  4004.46   161.903   3881.75   229.617   4125.80   228.320   169.519 5.0571  174.819 4.8760  -5.300354      7.024909 
1 1 1 10  -17 22 o 96.384  2.3947  1249.39   61.814    1254.72   88.223    1244.24   86.635    96.584  3.4103  96.185  3.3627  0.3982239      4.789360 
1 1 1 10  -17 23 o 105.243 2.4962  1491.49   70.344    1474.61   100.351   1507.80   98.634    104.649 3.5801  105.836 3.4794  -1.186790      4.992343 
1 1 1 10  -17 24 o 35.296  2.1404  169.235   19.936    164.190   29.443    173.506   27.091    34.782  3.1961  35.810  2.8480  -1.028301      4.280898 
1 1 1 10  -17 25 o 89.068  2.2999  1068.66   54.853    1104.66   78.318    1034.01   76.849    90.543  3.2294  87.592  3.2756  2.950798       4.599795 
1 1 1 10  -17 26 o 41.485  2.1485  233.735   23.646    221.898   34.045    244.768   32.869    40.442  3.1682  42.529  2.9028  -2.086971      4.296936 
1 1 1 10  -17 27 o 46.200  2.0735  289.229   25.439    319.665   36.342    259.986   35.622    48.616  2.8027  43.784  3.0567  4.832180       4.147083 
1 1 1 10  -17 28 o 29.462  2.3308  119.034   18.052    112.734   25.534    125.331   25.526    28.652  3.3930  30.271  3.1966  -1.618319      4.661656 
1 1 1 10  -17 29 o 25.035  2.5620  88.260    16.385    73.128    23.754    101.996   22.632    22.818  4.0343  27.252  3.1591  -4.434414      5.123991 
1 1 1 10  -17 30 o 64.889  2.1515  572.007   37.375    594.717   52.970    549.492   52.743    66.188  2.9879  63.590  3.0966  2.598080       4.303035 
1 1 1 10  -17 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -17 32 o 19.699  2.9652  56.002    15.185    63.849    21.457    48.131    21.492    21.175  3.9278  18.223  4.4432  2.951765       5.930391 
1 1 1 10  -17 33 o 77.787  2.3650  832.734   49.266    810.433   69.165    855.703   70.193    76.716  3.3660  78.857  3.3232  -2.140831      4.730095 
1 1 1 10  -17 34 o 55.339  2.2553  423.320   33.275    433.603   46.898    412.896   47.219    56.046  3.1367  54.633  3.2413  1.413754       4.510528 
1 1 1 10  -17 35 o 17.018  3.4077  43.062    16.271    46.073    22.423    39.713    23.648    17.614  4.6750  16.422  4.9592  1.192099       6.815402 
1 1 1 10  -17 36 o 37.708  2.1599  192.952   21.320    234.309   33.715    165.393   27.522    40.982  3.0942  34.433  3.0145  6.549706       4.319871 
1 1 1 10  -17 37 o 17.811  3.0568  45.304    13.926    57.450    23.779    38.964    17.180    19.440  4.6325  16.181  3.9893  3.259073       6.113513 
1 1 1 10  -17 38 f 7.8886  2.4755  -1.6240   9.6838    -14.1985  19.710    2.3773    11.118    8.0943  3.7632  7.6829  3.2173  0.4114132      4.950997 
1 1 1 10  -17 39 o 32.973  2.5968  163.671   21.057    145.391   35.044    173.999   26.342    30.903  4.3545  35.044  2.8306  -4.141117      5.193679 
1 1 1 10  -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -17 41 o 12.990  3.1591  27.219    13.627    16.308    23.784    32.551    16.626    11.734  4.7884  14.246  4.1220  -2.511694      6.318240 
1 1 1 10  -17 42 o 16.574  3.5037  45.001    15.787    60.320    28.518    38.231    18.957    18.060  5.4441  15.087  4.4120  2.972518       7.007408 
1 1 1 10  -17 43 o 21.875  3.4141  78.480    18.599    102.627   32.609    66.838    22.642    23.802  5.2554  19.948  4.3595  3.853621       6.828193 
1 1 1 10  -17 44 o 15.891  3.6524  44.448    16.632    59.809    30.679    38.055    19.794    17.124  5.7082  14.658  4.5581  2.466269       7.304760 
1 1 1 10  -17 45 o 24.125  3.6091  110.063   21.343    107.493   37.535    111.292   25.946    22.240  6.1121  26.009  3.8400  -3.768620      7.218284 
1 1 1 10  -17 46 o 14.201  3.6742  42.016    17.318    48.679    32.787    39.438    20.396    14.240  5.6893  14.163  4.6510  0.7638645E-01  7.348475 
1 1 1 10  -16 0  o 40.319  1.7544  218.748   18.852    220.922   26.900    216.649   26.429    40.515  2.4908  40.122  2.4713  0.3937531      3.508788 
1 1 1 10  -16 1  o 317.246 5.9937  13658.65  509.258   13462.81  720.772   13853.87  719.628   314.942 8.5443  319.551 8.4077  -4.608704      11.98731 
1 1 1 10  -16 2  o 158.258 3.2564  3373.57   137.671   3098.22   194.999   3647.23   194.395   151.781 4.7965  164.735 4.4057  -12.95348      6.512787 
1 1 1 10  -16 3  o 376.793 7.0409  19354.34  710.589   19348.40  1005.65   19360.27  1004.20   376.729 9.9662  376.857 9.9484  -0.1273804     14.08177 
1 1 1 10  -16 4  o 141.296 2.9390  2682.03   111.227   2683.80   157.725   2680.29   156.876   141.341 4.1662  141.251 4.1465  0.9034729E-01  5.877987 
1 1 1 10  -16 5  o 181.931 3.6090  4454.20   175.832   4360.06   248.875   4548.02   248.453   180.001 5.1620  183.860 5.0451  -3.858566      7.217948 
1 1 1 10  -16 6  o 114.756 2.5189  1767.72   77.424    1773.79   109.478   1761.64   109.510   114.954 3.5556  114.559 3.5689  0.3952179      5.037802 
1 1 1 10  -16 7  f 142.188 2.9252  2717.50   111.324   2836.03   157.382   2598.82   157.488   145.303 4.0438  139.074 4.2278  6.228836       5.850363 
1 1 1 10  -16 8  o 194.295 3.8246  5084.49   198.979   5219.73   281.198   4948.87   281.601   196.898 5.3319  191.692 5.4846  5.206177       7.649159 
1 1 1 10  -16 9  o 83.325  2.0482  931.603   45.699    947.436   64.246    915.388   65.016    84.044  2.8540  82.606  2.9385  1.437508       4.096313 
1 1 1 10  -16 10 o 111.175 2.4191  1659.57   71.951    1557.21   101.192   1764.25   102.326   107.700 3.5079  114.650 3.3322  -6.949745      4.838217 
1 1 1 10  -16 11 o 119.543 2.5685  1918.98   82.242    1907.66   115.993   1930.43   116.624   119.189 3.6334  119.898 3.6315  -0.7091827     5.137024 
1 1 1 10  -16 12 o 63.228  1.8075  536.151   30.610    532.791   43.258    539.521   43.321    63.030  2.5623  63.427  2.5499  -0.3972588     3.614922 
1 1 1 10  -16 13 o 64.287  1.8305  554.512   31.509    539.855   44.722    568.959   44.400    63.442  2.6318  65.133  2.5451  -1.690872      3.661096 
1 1 1 10  -16 14 o 116.117 2.5187  1810.92   78.317    1866.40   111.271   1756.45   110.248   117.883 3.5241  114.351 3.5995  3.531761       5.037400 
1 1 1 10  -16 15 o 155.638 3.1655  3259.71   131.958   3261.28   187.331   3258.17   185.910   155.673 4.4927  155.604 4.4606  0.6874084E-01  6.330992 
1 1 1 10  -16 16 o 61.635  1.8999  510.490   31.307    492.512   45.154    527.132   43.444    60.584  2.7826  62.685  2.5875  -2.101414      3.799715 
1 1 1 10  -16 17 o 76.817  2.0406  792.347   41.950    782.036   60.341    801.992   58.362    76.329  2.9514  77.305  2.8186  -0.9754410     4.081116 
1 1 1 10  -16 18 o 38.447  1.8698  199.488   19.080    196.283   27.959    202.282   26.103    38.146  2.7550  38.748  2.5289  -0.6027718     3.739697 
1 1 1 10  -16 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -16 20 o 171.319 7.0779  3988.16   324.788   0.0000    0.0000    3988.16   324.788   ?       ?       171.319 7.0779  ?              ?        
1 1 1 10  -16 21 o 38.814  2.0115  202.971   20.740    210.476   30.274    196.334   28.470    39.488  2.8822  38.139  2.8066  1.348854       4.022975 
1 1 1 10  -16 22 o 67.551  2.0624  613.210   37.277    604.431   53.735    621.355   51.757    67.080  2.9907  68.022  2.8407  -0.9426651     4.124827 
1 1 1 10  -16 23 o 37.120  2.0771  185.796   20.455    196.294   29.874    176.530   28.064    38.109  2.9497  36.131  2.9251  1.978466       4.154104 
1 1 1 10  -16 24 o 20.309  2.8859  57.075    15.113    65.070    22.535    50.539    20.374    21.623  4.0393  18.994  4.1229  2.628841       5.771861 
1 1 1 10  -16 25 o 40.855  2.0824  225.665   22.625    226.082   32.487    225.272   31.527    40.886  2.9872  40.823  2.9021  0.6230927E-01  4.164829 
1 1 1 10  -16 26 o 146.132 3.1200  2894.31   122.114   2862.28   172.603   2926.41   172.789   145.314 4.4346  146.951 4.3899  -1.636673      6.239936 
1 1 1 10  -16 27 o 80.271  2.2680  869.528   48.763    869.552   68.996    869.504   68.926    80.272  3.2090  80.270  3.2058  0.1632690E-02  4.535985 
1 1 1 10  -16 28 o 89.867  2.3949  1093.07   57.631    1118.61   81.334    1067.32   81.671    90.935  3.3393  88.800  3.4337  2.134491       4.789704 
1 1 1 10  -16 29 o 19.232  2.8942  52.503    14.448    47.691    20.795    56.993    20.089    18.325  4.3092  20.139  3.8647  -1.813791      5.788377 
1 1 1 10  -16 30 o 45.291  2.1084  279.828   25.347    305.293   35.832    254.324   35.859    47.401  2.8352  43.181  3.1214  4.220482       4.216843 
1 1 1 10  -16 31 o 23.577  3.1986  77.636    18.779    73.375    23.321    85.494    31.670    22.804  3.9618  24.349  5.0228  -1.544552      6.397197 
1 1 1 10  -16 32 o 41.588  3.2805  238.010   36.246    0.0000    0.0000    238.010   36.246    ?       ?       41.588  3.2805  ?              ?        
1 1 1 10  -16 33 o 29.097  2.5415  118.465   19.366    120.124   26.961    116.696   27.836    29.342  3.4996  28.852  3.6863  0.4895897      5.082926 
1 1 1 10  -16 34 o 23.018  2.4685  71.024    14.372    94.502    23.668    57.311    18.088    25.934  3.4962  20.102  3.4859  5.832878       4.937093 
1 1 1 10  -16 35 o 47.042  2.0892  304.858   25.835    308.700   40.017    302.112   33.830    47.184  3.1850  46.899  2.7045  0.2851105      4.178320 
1 1 1 10  -16 36 o 14.745  3.0560  30.739    12.374    35.768    21.136    28.116    15.263    15.586  4.6843  13.904  3.9261  1.682689       6.111986 
1 1 1 10  -16 37 o 29.991  2.3688  124.957   18.160    138.374   29.998    117.195   22.816    31.083  3.6742  28.899  2.9909  2.184324       4.737584 
1 1 1 10  -16 38 o 20.816  3.1027  69.263    16.274    51.724    26.735    79.587    20.512    18.117  5.2227  23.516  3.3513  -5.398632      6.205469 
1 1 1 10  -16 39 o 28.818  2.7089  125.161   19.195    113.340   31.736    131.980   24.103    27.198  4.5147  30.438  2.9952  -3.240210      5.417889 
1 1 1 10  -16 40 o 7.5183  3.6065  -24.5095  20.945    -24.5095  20.945    0.0000    0.0000    7.5183  3.6065  ?       ?       ?              ?        
1 1 1 10  -16 41 o 12.462  3.1349  24.017    13.204    13.207    24.689    28.348    15.627    11.513  4.8054  13.411  4.0272  -1.897586      6.269813 
1 1 1 10  -16 42 o 11.075  2.8022  -2.6437   12.089    46.025    22.603    -22.1454  14.308    16.317  4.8306  5.8339  2.8418  10.48267       5.604475 
1 1 1 10  -16 43 o 20.257  3.2851  62.282    17.212    108.891   30.174    39.802    20.956    25.414  4.6022  15.099  4.6892  10.31561       6.570249 
1 1 1 10  -16 44 o 15.055  3.3889  43.220    16.473    24.692    29.132    51.929    19.973    12.632  5.2418  17.477  4.2968  -4.844891      6.777823 
1 1 1 10  -16 45 o 28.814  3.3516  146.005   23.003    148.652   40.547    144.748   27.932    27.427  5.7051  30.200  3.5191  -2.772593      6.703204 
1 1 1 10  -16 46 o 12.573  3.2912  31.222    16.819    1.6221    32.175    42.351    19.729    10.223  4.7711  14.924  4.5348  -4.701438      6.582406 
1 1 1 10  -15 0  o 80.548  2.0827  870.053   44.930    877.430   63.984    862.877   63.106    80.884  2.9534  80.212  2.9373  0.6729660      4.165345 
1 1 1 10  -15 1  o 127.151 2.7394  2170.42   93.292    2168.83   132.495   2171.98   131.381   127.103 3.8918  127.198 3.8562  -0.9519196E-01 5.478756 
1 1 1 10  -15 2  o 114.859 2.5360  1770.81   78.002    1737.43   110.783   1803.63   109.846   113.782 3.6350  115.936 3.5373  -2.154007      5.072093 
1 1 1 10  -15 3  o 146.488 3.0202  2882.18   118.490   2847.74   168.036   2916.25   167.107   145.614 4.3084  147.362 4.2337  -1.748184      6.040383 
1 1 1 10  -15 4  f 93.793  2.2426  1180.53   56.306    1137.16   79.798    1223.53   79.460    92.074  3.2357  95.512  3.1060  -3.438545      4.485179 
1 1 1 10  -15 5  o 122.043 2.6346  1998.98   86.120    1988.90   121.894   2009.03   121.692   121.735 3.7383  122.352 3.7133  -0.6162186     5.269128 
1 1 1 10  -15 6  o 187.970 3.7196  4752.04   187.267   4788.69   264.810   4715.37   264.861   188.699 5.2393  187.242 5.2811  1.456329       7.439133 
1 1 1 10  -15 7  o 122.469 2.6418  2013.92   86.612    2084.27   122.261   1943.05   122.715   124.622 3.6627  120.316 3.8079  4.306107       5.283533 
1 1 1 10  -15 8  o 127.103 2.6657  2169.32   90.713    2233.11   127.945   2104.84   128.634   128.988 3.7033  125.218 3.8353  3.769226       5.331375 
1 1 1 10  -15 9  o 47.436  1.6476  302.372   20.870    314.359   29.237    289.920   29.799    48.428  2.2539  46.443  2.4037  1.985332       3.295167 
1 1 1 10  -15 10 o 115.179 2.4808  1780.43   76.532    1766.29   107.947   1794.72   108.521   114.719 3.5131  115.640 3.5036  -0.9200974     4.961542 
1 1 1 10  -15 11 o 67.022  1.8319  602.317   32.885    593.594   46.428    611.099   46.584    66.535  2.6052  67.509  2.5762  -0.9748840     3.663884 
1 1 1 10  -15 12 o 177.619 3.4854  4244.83   165.811   4211.70   234.598   4277.89   234.387   176.923 4.9505  178.315 4.9075  -1.391861      6.970719 
1 1 1 10  -15 13 o 102.339 2.3034  1406.81   63.081    1346.02   89.619    1466.50   88.806    100.141 3.3412  104.538 3.1716  -4.397079      4.606798 
1 1 1 10  -15 14 o 199.580 3.9029  5369.15   208.629   5329.93   295.751   5407.99   294.346   198.847 5.5529  200.313 5.4861  -1.466461      7.805853 
1 1 1 10  -15 15 o 127.186 2.6917  2173.29   91.689    2181.72   130.625   2165.09   128.730   127.427 3.8272  126.945 3.7860  0.4822693      5.383377 
1 1 1 10  -15 16 o 147.541 3.0196  2927.87   119.320   2924.31   169.842   2931.35   167.667   147.448 4.3005  147.635 4.2401  -0.1862793     6.039224 
1 1 1 10  -15 17 o 147.167 3.0361  2913.75   119.667   2914.32   170.329   2913.20   168.162   147.177 4.3208  147.157 4.2664  0.2006531E-01  6.072132 
1 1 1 10  -15 18 o 134.470 2.8928  2434.25   104.096   2334.23   148.068   2532.01   146.376   131.721 4.1968  137.219 3.9826  -5.497894      5.785694 
1 1 1 10  -15 19 o 77.133  2.0900  799.881   43.112    766.141   61.801    831.864   60.171    75.540  3.0544  78.726  2.8535  -3.186028      4.179930 
1 1 1 10  -15 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -15 21 o 43.900  4.2792  261.906   49.678    0.0000    0.0000    261.906   49.678    ?       ?       43.900  4.2792  ?              ?        
1 1 1 10  -15 22 o 112.859 2.5756  1712.65   77.845    1757.98   110.748   1668.37   109.443   114.338 3.6162  111.380 3.6686  2.958855       5.151253 
1 1 1 10  -15 23 o 87.527  2.2704  1029.58   53.226    1033.89   75.576    1025.34   74.973    87.708  3.2170  87.345  3.2046  0.3625031      4.540804 
1 1 1 10  -15 24 o 116.812 2.6596  1837.61   83.194    1886.35   117.841   1789.17   117.469   118.364 3.7170  115.260 3.8050  3.103935       5.319193 
1 1 1 10  -15 25 o 106.910 2.5602  1539.94   73.303    1512.03   103.619   1567.90   103.712   105.934 3.6519  107.885 3.5891  -1.950691      5.120304 
1 1 1 10  -15 26 o 124.137 2.8225  2081.93   93.844    2091.40   132.464   2072.39   132.967   124.424 3.9747  123.849 4.0083  0.5757980      5.644904 
1 1 1 10  -15 27 o 44.024  2.1388  262.258   25.055    273.528   35.774    251.409   35.101    44.962  2.9875  43.086  3.0615  1.875908       4.277602 
1 1 1 10  -15 28 o 54.911  2.1389  408.353   31.309    423.290   44.004    393.039   44.557    55.946  2.9469  53.876  3.1008  2.070396       4.277730 
1 1 1 10  -15 29 f 91.581  2.4303  1137.19   59.582    1165.16   83.617    1108.34   84.922    92.748  3.3659  90.415  3.5066  2.333138       4.860646 
1 1 1 10  -15 30 o 35.655  2.1960  173.428   20.747    164.814   28.931    182.548   29.769    34.730  3.1441  36.581  3.0665  -1.851597      4.391915 
1 1 1 10  -15 31 o 26.567  2.4921  97.918    17.296    97.538    24.410    98.300    24.511    26.515  3.5244  26.620  3.5244  -0.1049824     4.984246 
1 1 1 10  -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -15 33 o 30.961  2.2386  134.402   17.729    123.634   27.997    141.611   22.907    29.768  3.5833  32.155  2.6843  -2.387657      4.477237 
1 1 1 10  -15 34 o 11.018  2.6304  3.1790    10.146    35.487    18.911    -9.8790   12.022    15.660  4.3520  6.3764  2.9557  9.283268       5.260810 
1 1 1 10  -15 35 o 70.661  2.1821  685.603   41.090    703.573   61.597    671.194   55.155    71.409  3.2205  69.914  2.9453  1.494278       4.364193 
1 1 1 10  -15 36 o 12.145  2.8350  19.599    12.101    -1.1675   20.201    31.220    15.111    9.6493  4.1944  14.640  3.8151  -4.990847      5.669909 
1 1 1 10  -15 37 o 39.505  2.2134  218.252   22.723    219.600   36.018    217.360   29.286    39.427  3.4452  39.583  2.7799  -0.1556358     4.426890 
1 1 1 10  -15 38 o 15.575  3.1445  38.618    14.153    23.301    24.394    46.392    17.377    13.436  5.0280  17.714  3.7778  -4.277617      6.289092 
1 1 1 10  -15 39 o 27.913  2.8269  120.033   19.011    100.606   31.624    131.026   23.789    25.445  4.8165  30.381  2.9610  -4.936668      5.653893 
1 1 1 10  -15 40 o 10.369  3.2757  -6.9174   18.146    -18.2472  22.848    12.433    29.860    8.4014  3.9529  12.336  5.2246  -3.934525      6.551469 
1 1 1 10  -15 41 o 8.5711  2.7166  -6.7332   11.843    8.7725    21.734    -13.2816  14.124    10.619  4.4751  6.5233  3.0809  4.095439       5.433108 
1 1 1 10  -15 42 o 8.9726  2.8052  0.3952    11.854    5.9755    22.820    -1.6672   13.873    10.306  4.4688  7.6393  3.3922  2.666558       5.610493 
1 1 1 10  -15 43 o 17.758  3.3941  57.632    16.218    47.084    30.301    61.866    19.199    15.742  5.6501  19.774  3.7625  -4.031290      6.788183 
1 1 1 10  -15 44 o 10.014  2.7145  7.8605    13.359    -43.0541  25.626    26.861    15.655    7.2819  3.5977  12.747  4.0659  -5.465163      5.429049 
1 1 1 10  -15 45 o 12.307  3.3964  12.904    15.954    55.461    29.945    -3.9613   18.852    16.324  5.6366  8.2893  3.7908  8.035151       6.792751 
1 1 1 10  -15 46 o 7.0924  2.3895  -12.7280  12.256    -55.3730  27.509    -2.1659   13.690    6.9350  3.4739  7.2497  3.2820  -0.3147063     4.779083 
1 1 1 10  -14 0  o 59.072  1.8449  467.616   29.181    484.761   41.629    451.053   40.916    60.137  2.5845  58.007  2.6335  2.129475       3.689783 
1 1 1 10  -14 1  o 212.602 4.0958  6079.92   233.223   6032.79   330.472   6126.69   329.185   211.776 5.8260  213.428 5.7584  -1.652451      8.191515 
1 1 1 10  -14 2  o 320.431 6.0267  13876.39  517.235   13745.60  732.069   14006.76  730.894   318.907 8.5704  321.955 8.4756  -3.047546      12.05350 
1 1 1 10  -14 3  o 269.984 5.1325  9826.25   371.086   9611.73   525.192   10040.13  524.398   267.021 7.3432  272.948 7.1729  -5.926819      10.26510 
1 1 1 10  -14 4  o 210.365 4.1070  5950.70   231.415   5956.03   327.633   5945.40   326.910   210.459 5.8121  210.272 5.8044  0.1868744      8.214101 
1 1 1 10  -14 5  o 126.535 2.7058  2148.49   91.675    2082.47   129.594   2214.62   129.704   124.585 3.8835  128.484 3.7689  -3.898987      5.411694 
1 1 1 10  -14 6  o 261.497 4.9728  9213.86   348.260   9372.86   492.476   9054.80   492.553   263.768 6.9707  259.227 7.0939  4.541260       9.945515 
1 1 1 10  -14 7  o 29.837  1.7362  120.249   13.625    100.813   18.928    141.148   19.627    27.299  2.6208  32.374  2.2780  -5.074602      3.472404 
1 1 1 10  -14 8  o 103.300 2.2995  1431.10   63.620    1436.11   89.596    1426.00   90.354    103.483 3.2324  103.116 3.2714  0.3666992      4.598975 
1 1 1 10  -14 9  o 167.963 3.3233  3789.94   149.499   3837.41   211.135   3742.20   211.712   169.022 4.6637  166.904 4.7358  2.117798       6.646604 
1 1 1 10  -14 10 o 206.212 3.9842  5721.29   220.052   5654.99   310.921   5787.84   311.480   205.011 5.6622  207.414 5.6066  -2.403610      7.968367 
1 1 1 10  -14 11 o 224.281 4.3297  6775.81   260.095   6806.80   367.947   6744.86   367.714   224.796 6.1109  223.766 6.1352  1.030304       8.659322 
1 1 1 10  -14 12 o 93.774  2.1708  1179.40   54.521    1191.62   77.623    1167.49   76.597    94.253  3.0747  93.295  3.0653  0.9584503      4.341616 
1 1 1 10  -14 13 o 89.736  2.1371  1080.44   51.349    1069.43   73.376    1091.01   71.883    89.285  3.0682  90.186  2.9758  -0.9005356     4.274220 
1 1 1 10  -14 14 o 135.136 2.8087  2453.04   101.655   2459.29   144.755   2446.96   142.790   135.304 3.9943  134.968 3.9498  0.3352203      5.617383 
1 1 1 10  -14 15 o 113.255 2.4968  1723.81   75.670    1664.64   108.055   1780.76   106.001   111.339 3.6234  115.172 3.4361  -3.833405      4.993585 
1 1 1 10  -14 16 o 96.834  2.2673  1258.01   58.793    1286.65   84.285    1230.87   82.050    97.906  3.2140  95.761  3.1989  2.144806       4.534647 
1 1 1 10  -14 17 f 114.492 2.5372  1761.06   77.789    1747.56   110.963   1774.09   109.080   114.057 3.6322  114.928 3.5435  -0.8709106     5.074357 
1 1 1 10  -14 18 o 105.079 2.4195  1482.45   68.085    1522.38   97.281    1444.12   95.322    106.466 3.4114  103.692 3.4321  2.774414       4.839096 
1 1 1 10  -14 19 o 130.099 2.8008  2275.81   97.594    2293.10   138.857   2258.94   137.195   130.586 3.9699  129.612 3.9519  0.9738770      5.601571 
1 1 1 10  -14 20 o 149.741 3.1106  3018.68   124.729   3110.44   177.027   2928.23   175.765   152.010 4.3479  147.473 4.4497  4.537537       6.221262 
1 1 1 10  -14 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -14 22 o 49.684  2.0272  332.215   26.830    355.514   38.516    310.251   37.395    51.387  2.8090  47.982  2.9236  3.404392       4.054368 
1 1 1 10  -14 23 o 96.494  2.3966  1251.67   61.935    1276.15   87.627    1227.23   87.551    97.440  3.3574  95.548  3.4210  1.892418       4.793291 
1 1 1 10  -14 24 o 77.775  2.1972  813.095   45.757    835.086   64.646    791.016   64.775    78.833  3.0616  76.717  3.1523  2.116013       4.394314 
1 1 1 10  -14 25 f 72.657  2.1723  710.160   42.242    740.928   59.659    679.226   59.819    74.242  3.0001  71.071  3.1424  3.171310       4.344555 
1 1 1 10  -14 26 o 93.674  2.4053  1181.96   60.345    1184.92   84.910    1178.94   85.778    93.796  3.3798  93.552  3.4232  0.2437973      4.810516 
1 1 1 10  -14 27 o 52.574  2.1175  373.401   29.679    374.227   41.337    372.523   42.637    52.642  2.9435  52.506  3.0448  0.1356049      4.234988 
1 1 1 10  -14 28 o 67.211  2.2164  612.485   39.659    663.286   55.428    559.198   56.769    70.149  2.9500  64.273  3.3087  5.875137       4.432850 
1 1 1 10  -14 29 o 49.849  2.1183  336.911   28.127    342.097   39.161    331.385   40.424    50.261  2.9215  49.437  3.0680  0.8240089      4.236519 
1 1 1 10  -14 30 o 17.113  2.6846  39.524    11.688    50.078    19.398    33.509    14.645    18.825  3.9719  15.400  3.6128  3.425494       5.369210 
1 1 1 10  -14 31 o 34.098  2.0873  160.423   18.498    149.512   28.514    168.350   24.306    33.005  3.2684  35.191  2.5970  -2.185886      4.174536 
1 1 1 10  -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -14 33 o 42.325  2.0345  242.049   22.747    270.152   34.950    221.398   29.961    44.413  2.9548  40.236  2.7974  4.177464       4.068990 
1 1 1 10  -14 34 o 11.775  2.4009  17.365    10.603    -14.6091  17.474    35.996    13.339    7.6288  3.5456  15.920  3.2382  -8.291544      4.801829 
1 1 1 10  -14 35 o 19.389  2.7639  52.570    13.474    60.984    22.374    47.783    16.878    20.501  4.2154  18.277  3.5758  2.224047       5.527728 
1 1 1 10  -14 36 o 13.346  3.0228  24.817    11.956    25.499    19.649    24.416    15.066    13.608  4.5683  13.084  3.9599  0.5239258      6.045641 
1 1 1 10  -14 37 o 10.297  2.8340  10.626    11.010    6.0533    18.928    12.965    13.535    10.235  4.2343  10.359  3.7680  -0.1241980     5.668037 
1 1 1 10  -14 38 o 13.368  3.0910  21.556    12.614    40.305    21.834    12.162    15.454    16.273  4.7282  10.463  3.9826  5.809569       6.181952 
1 1 1 10  -14 39 o 15.634  3.2496  37.454    14.085    37.373    24.117    37.496    17.351    15.553  5.0551  15.714  4.0847  -0.1609812     6.499141 
1 1 1 10  -14 40 o 22.923  2.9537  76.528    16.930    97.236    28.604    65.362    21.004    25.076  4.4202  20.771  3.9191  4.305441       5.907365 
1 1 1 10  -14 41 o 17.331  3.0839  55.100    16.144    16.448    28.062    74.223    19.738    12.359  5.1378  22.303  3.4126  -9.944750      6.167842 
1 1 1 10  -14 42 o 18.566  3.4299  57.958    16.466    60.637    29.417    56.735    19.871    18.262  5.5348  18.870  4.0525  -0.6077576     6.859757 
1 1 1 10  -14 43 o 23.368  3.1840  83.368    18.207    116.675   32.794    68.526    21.891    26.164  4.8584  20.572  4.1166  5.592152       6.367903 
1 1 1 10  -14 44 o 19.491  3.5084  69.403    17.926    63.444    31.301    72.311    21.867    17.881  5.7540  21.101  4.0158  -3.219845      7.016789 
1 1 1 10  -14 45 o 16.112  3.3988  52.783    17.391    26.645    32.458    63.308    20.597    12.786  5.4328  19.438  4.0858  -6.652251      6.797695 
1 1 1 10  -14 46 o 13.357  3.5012  36.102    17.349    22.605    31.668    41.891    20.739    11.911  5.2129  14.804  4.6752  -2.892930      7.002323 
1 1 1 10  -13 0  o 100.996 2.3565  1367.55   63.746    1376.66   90.611    1358.63   89.696    101.329 3.3386  100.664 3.3267  0.6650009      4.713037 
1 1 1 10  -13 1  o 68.086  1.9088  621.201   34.807    626.128   49.647    616.439   48.811    68.351  2.7118  67.821  2.6870  0.5304337      3.817573 
1 1 1 10  -13 2  o 331.444 6.2274  14818.28  552.840   14921.86  782.598   14715.11  781.071   332.606 8.7845  330.282 8.8291  2.324219       12.45477 
1 1 1 10  -13 3  o 49.523  1.6954  329.092   22.436    344.079   31.852    314.335   31.608    50.675  2.3467  48.372  2.4476  2.302792       3.390785 
1 1 1 10  -13 4  o 221.139 4.2360  6570.28   250.904   6539.47   355.051   6601.01   354.613   220.619 6.0084  221.658 5.9728  -1.039825      8.472062 
1 1 1 10  -13 5  o 196.749 3.8686  5198.23   203.864   5148.13   288.219   5248.40   288.395   195.797 5.4957  197.700 5.4462  -1.902542      7.737187 
1 1 1 10  -13 6  o 87.328  2.0725  1022.03   48.466    991.696   68.167    1053.03   68.922    86.017  2.9587  88.639  2.9030  -2.621536      4.145028 
1 1 1 10  -13 7  o 251.299 4.7615  8494.00   320.493   8432.36   452.793   8555.90   453.699   250.382 6.7516  252.215 6.7160  -1.833176      9.523044 
1 1 1 10  -13 8  o 127.925 2.6308  2194.78   90.117    2126.30   127.012   2264.20   127.881   125.914 3.7660  129.937 3.6744  -4.023216      5.261558 
1 1 1 10  -13 9  o 268.646 5.0852  9719.48   365.912   9667.56   517.170   9771.51   517.786   267.925 7.2066  269.368 7.1766  -1.442810      10.17046 
1 1 1 10  -13 10 o 98.836  2.2243  1309.77   58.883    1323.44   83.417    1296.19   83.130    99.351  3.1347  98.322  3.1566  1.028587       4.448630 
1 1 1 10  -13 11 o 14.569  2.2777  29.551    8.6443    30.371    12.545    28.809    11.928    14.761  3.2600  14.376  3.1818  0.3844957      4.555387 
1 1 1 10  -13 12 o 84.054  2.0315  946.956   45.727    963.458   65.481    931.250   63.883    84.768  2.8840  83.340  2.8619  1.428169       4.062963 
1 1 1 10  -13 13 o 80.436  2.0177  867.555   43.448    868.335   62.486    866.825   60.454    80.469  2.8991  80.403  2.8071  0.6674957E-01  4.035446 
1 1 1 10  -13 14 o 206.147 4.0093  5724.44   221.311   5590.46   314.064   5856.58   311.909   203.734 5.7553  208.561 5.5835  -4.827499      8.018638 
1 1 1 10  -13 15 o 105.177 2.4102  1485.84   67.846    1445.64   97.007    1524.34   94.924    103.778 3.4899  106.576 3.3253  -2.798584      4.820443 
1 1 1 10  -13 16 o 203.255 3.9577  5568.42   215.442   5503.83   305.558   5632.28   303.810   202.071 5.6455  204.438 5.5482  -2.366943      7.915418 
1 1 1 10  -13 17 o 94.682  2.2673  1203.21   57.490    1206.86   82.110    1199.70   80.520    94.821  3.2330  94.543  3.1797  0.2779312      4.534614 
1 1 1 10  -13 18 o 203.662 4.0145  5596.60   218.993   5612.68   310.340   5580.66   309.070   203.952 5.6809  203.372 5.6739  0.5806732      8.029047 
1 1 1 10  -13 19 o 77.608  2.0920  808.170   43.482    822.168   62.079    794.687   60.923    78.267  2.9612  76.948  2.9559  1.318855       4.184050 
1 1 1 10  -13 20 o 32.530  1.9745  143.010   17.025    144.109   24.589    141.999   23.597    32.646  2.8404  32.415  2.7436  0.2310677      3.949027 
1 1 1 10  -13 21 o 97.466  2.3849  1276.67   62.221    1330.76   88.061    1222.74   87.926    99.535  3.3031  95.397  3.4411  4.137260       4.769846 
1 1 1 10  -13 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -13 23 o 108.699 2.5591  1588.75   74.502    1596.26   104.913   1581.10   105.816   108.962 3.5948  108.437 3.6432  0.5243988      5.118141 
1 1 1 10  -13 24 o 50.290  2.0374  341.010   27.307    352.271   38.359    329.439   38.882    51.143  2.8111  49.438  2.9498  1.704918       4.074702 
1 1 1 10  -13 25 o 90.922  2.3548  1111.81   57.340    1110.53   80.493    1113.13   81.704    90.871  3.3071  90.972  3.3531  -0.1011276     4.709543 
1 1 1 10  -13 26 o 56.375  2.0984  428.906   31.543    455.107   44.205    401.726   45.023    58.188  2.8363  54.563  3.0934  3.624279       4.196868 
1 1 1 10  -13 27 o 89.865  2.3780  1088.69   57.215    1098.58   79.956    1078.32   81.908    90.293  3.3060  89.438  3.4191  0.8557053      4.756071 
1 1 1 10  -13 28 o 71.607  2.0876  688.812   39.960    722.011   58.815    660.348   54.459    73.198  2.9999  70.016  2.9039  3.181839       4.175142 
1 1 1 10  -13 29 o 35.440  2.0384  168.283   19.021    187.590   29.308    154.232   25.002    37.170  2.9685  33.709  2.7943  3.460381       4.076759 
1 1 1 10  -13 30 o 49.477  1.9923  333.880   26.008    311.533   39.113    351.594   34.823    47.893  3.0650  51.060  2.5462  -3.166206      3.984681 
1 1 1 10  -13 31 o 50.540  1.9775  346.683   26.499    347.172   39.742    346.292   35.556    50.534  2.9490  50.545  2.6354  -0.1144028E-01 3.954998 
1 1 1 10  -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -13 33 o 28.657  2.1802  112.860   16.133    115.551   25.592    111.085   20.782    28.861  3.3744  28.454  2.7616  0.4065228      4.360353 
1 1 1 10  -13 34 o 39.674  2.0764  216.388   21.533    214.944   33.575    217.397   28.064    39.467  3.2037  39.880  2.6423  -0.4130173     4.152756 
1 1 1 10  -13 35 o 26.084  2.4455  96.694    16.155    89.864    25.500    101.273   20.879    25.127  3.9166  27.040  2.9297  -1.912561      4.891072 
1 1 1 10  -13 36 o 12.763  2.9695  18.016    11.452    35.889    20.554    9.9699    13.791    15.668  4.5975  9.8575  3.7597  5.810466       5.939086 
1 1 1 10  -13 37 o 32.328  2.4632  152.552   19.969    126.790   31.438    169.976   25.854    29.637  4.0676  35.020  2.7792  -5.382689      4.926388 
1 1 1 10  -13 38 o 23.442  2.9663  88.417    16.815    56.539    26.989    108.642   21.498    19.075  5.1584  27.808  2.9304  -8.732267      5.932618 
1 1 1 10  -13 39 o 13.004  3.0332  25.078    13.605    1.7448    24.181    35.884    16.456    10.580  4.5940  15.428  3.9617  -4.847543      6.066345 
1 1 1 10  -13 40 o 15.008  3.0761  24.968    13.535    64.826    25.027    8.4925    16.091    20.222  4.7085  9.7936  3.9599  10.42816       6.152298 
1 1 1 10  -13 41 o 28.883  2.7388  119.198   19.872    156.294   34.334    100.511   24.369    31.880  4.1170  25.886  3.6130  5.993511       5.477577 
1 1 1 10  -13 42 o 15.166  3.3282  39.617    15.034    30.634    26.210    44.021    18.354    13.807  5.2030  16.525  4.1518  -2.718143      6.656475 
1 1 1 10  -13 43 o 21.534  3.3813  73.699    18.055    98.104    32.103    62.409    21.835    23.584  5.2200  19.484  4.2993  4.100220       6.762594 
1 1 1 10  -13 44 o 18.886  3.5149  65.418    17.531    58.698    31.818    68.348    21.007    17.182  5.8130  20.589  3.9530  -3.407240      7.029736 
1 1 1 10  -13 45 f 14.670  3.6408  41.676    17.877    33.442    31.956    45.427    21.568    13.527  5.5386  15.814  4.7272  -2.287668      7.281694 
1 1 1 10  -13 46 o 8.3266  2.6789  -5.1607   14.266    -47.7534  28.419    9.1875    16.495    7.3803  3.6708  9.2729  3.9028  -1.892591      5.357803 
1 1 1 10  -12 0  o 75.539  2.0072  764.919   40.597    749.257   57.773    780.197   57.061    74.774  2.8846  76.304  2.7919  -1.529770      4.014414 
1 1 1 10  -12 1  o 204.964 3.9868  5638.73   218.870   5665.87   310.206   5611.83   308.857   205.456 5.6369  204.473 5.6394  0.9823151      7.973569 
1 1 1 10  -12 2  o 46.487  1.7018  290.318   21.115    289.113   30.029    291.496   29.696    46.390  2.4252  46.584  2.3880  -0.1935844     3.403528 
1 1 1 10  -12 3  o 180.999 3.5813  4396.15   173.561   4266.19   245.734   4525.52   245.170   178.324 5.1448  183.674 4.9834  -5.349915      7.162632 
1 1 1 10  -12 4  o 301.017 5.6226  12186.32  453.275   11970.43  641.023   12402.22  641.033   298.339 8.0219  303.694 7.8805  -5.355377      11.24512 
1 1 1 10  -12 5  o 181.211 3.5423  4405.41   171.917   4474.41   242.998   4336.26   243.258   182.634 4.9674  179.788 5.0515  2.846649       7.084674 
1 1 1 10  -12 6  o 232.965 4.4183  7287.99   275.699   7300.45   389.501   7275.48   390.294   233.166 6.2367  232.765 6.2602  0.4015198      8.836627 
1 1 1 10  -12 7  o 254.249 4.8169  8686.90   327.977   8485.31   463.258   8889.49   464.403   251.283 6.8829  257.216 6.7407  -5.932907      9.633883 
1 1 1 10  -12 8  o 237.205 4.4777  7559.09   284.474   7646.03   402.123   7471.99   402.492   238.575 6.2928  235.835 6.3718  2.739960       8.955381 
1 1 1 10  -12 9  o 58.375  1.7124  456.598   26.774    455.642   38.039    457.536   37.690    58.314  2.4354  58.436  2.4080  -0.1213570     3.424886 
1 1 1 10  -12 10 o 374.060 6.9559  18907.59  696.909   19066.96  986.191   18748.61  984.967   375.647 9.8015  372.473 9.8727  3.173248       13.91188 
1 1 1 10  -12 11 f 25.527  1.7923  88.231    12.049    87.623    17.755    88.751    16.406    25.432  2.6451  25.621  2.4192  -0.1889381     3.584582 
1 1 1 10  -12 12 o 193.525 3.7713  5032.24   195.483   5084.23   277.621   4981.11   275.302   194.517 5.3285  192.533 5.3385  1.983994       7.542699 
1 1 1 10  -12 13 o 298.910 5.6949  12070.71  455.916   11941.97  645.856   12198.57  643.674   297.303 8.1105  300.517 7.9966  -3.213806      11.38975 
1 1 1 10  -12 14 o 76.340  2.0056  781.424   40.986    781.810   58.985    781.063   56.993    76.357  2.8840  76.324  2.7879  0.3334808E-01  4.011219 
1 1 1 10  -12 15 o 104.640 2.3981  1469.41   67.196    1461.47   95.970    1477.05   94.118    104.360 3.4333  104.919 3.3491  -0.5597000     4.796243 
1 1 1 10  -12 16 o 201.208 3.9360  5453.28   212.122   5480.71   300.703   5426.11   299.274   201.712 5.5657  200.704 5.5670  1.007584       7.872004 
1 1 1 10  -12 17 o 60.470  1.9036  491.096   30.791    470.065   44.020    511.242   43.084    59.198  2.7762  61.742  2.6052  -2.544220      3.807187 
1 1 1 10  -12 18 o 106.848 2.4653  1533.18   70.532    1584.00   100.023   1482.92   99.475    108.613 3.4382  105.083 3.5342  3.530212       4.930694 
1 1 1 10  -12 19 o 124.354 2.7316  2078.34   90.981    2062.39   128.628   2094.31   128.705   123.875 3.8767  124.833 3.8493  -0.9580460     5.463114 
1 1 1 10  -12 20 o 142.100 3.0101  2716.59   114.569   2710.45   161.787   2722.77   162.266   141.939 4.2555  142.261 4.2584  -0.3217468     6.020266 
1 1 1 10  -12 21 o 190.956 3.8174  4921.31   195.219   4812.86   275.465   5030.74   276.703   188.830 5.4464  193.083 5.3503  -4.253143      7.634709 
1 1 1 10  -12 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -12 23 o 145.660 3.1106  2859.26   121.278   2960.50   170.788   2756.28   172.246   148.281 4.3001  143.040 4.4958  5.241425       6.221191 
1 1 1 10  -12 24 o 243.935 4.7900  8087.16   312.897   8251.71   441.510   7921.13   443.504   246.473 6.6878  241.397 6.8592  5.075546       9.579954 
1 1 1 10  -12 25 o 57.018  2.1041  437.042   31.972    393.915   44.450    483.267   46.020    54.054  3.0829  59.982  2.8644  -5.927929      4.208223 
1 1 1 10  -12 26 o 138.995 2.9421  2604.43   109.456   2747.79   157.021   2468.92   152.659   142.726 4.1074  135.264 4.2136  7.461685       5.884282 
1 1 1 10  -12 27 o 81.628  2.2248  901.688   48.377    834.309   70.410    961.935   66.581    78.697  3.3403  84.558  2.9397  -5.860947      4.449679 
1 1 1 10  -12 28 o 56.958  1.9834  431.709   29.939    518.700   45.038    362.838   40.074    62.086  2.7083  51.830  2.8983  10.25657       3.966753 
1 1 1 10  -12 29 o 15.140  2.4605  23.751    11.264    65.449    18.974    1.0618    13.997    21.759  3.3642  8.5215  3.5913  13.23736       4.920903 
1 1 1 10  -12 30 o 22.425  2.5052  67.368    13.584    123.863   21.529    29.999    17.510    30.183  2.6913  14.666  4.2263  15.51631       5.010436 
1 1 1 10  -12 31 o 17.773  2.5986  41.896    11.768    59.990    19.301    31.191    14.846    20.704  3.6119  14.842  3.7369  5.861791       5.197135 
1 1 1 10  -12 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -12 33 o 49.378  2.0371  331.329   26.621    345.333   40.541    320.713   35.296    50.245  3.0265  48.510  2.7275  1.734245       4.074231 
1 1 1 10  -12 34 o 54.762  2.0766  408.380   30.114    428.523   45.939    393.203   39.877    55.882  3.0811  53.642  2.7850  2.240295       4.153219 
1 1 1 10  -12 35 o 47.004  2.1207  305.615   26.140    294.282   40.221    313.902   34.395    46.122  3.2771  47.887  2.6925  -1.765221      4.241356 
1 1 1 10  -12 36 o 30.894  2.2450  126.280   17.801    173.058   29.091    98.279    22.507    35.301  3.1084  26.487  3.2401  8.814159       4.489994 
1 1 1 10  -12 37 f 44.193  2.1550  268.120   24.976    291.787   39.438    252.270   32.274    45.700  3.2429  42.687  2.8389  3.012390       4.309977 
1 1 1 10  -12 38 o 23.781  2.6510  79.455    15.905    93.537    26.305    71.339    19.969    25.289  4.0178  22.273  3.4594  3.015791       5.301953 
1 1 1 10  -12 39 o 9.8423  2.9002  0.2505    11.987    18.612    22.185    -7.3196   14.245    12.411  4.7602  7.2739  3.3143  5.136775       5.800374 
1 1 1 10  -12 40 o 8.4317  2.6447  -3.2010   12.057    -20.3627  21.585    4.5832    14.537    7.9986  3.7870  8.8648  3.6926  -0.8661637     5.289325 
1 1 1 10  -12 41 o 14.890  3.1207  38.081    14.740    12.879    26.180    49.779    17.836    11.787  4.9365  17.993  3.8190  -6.206287      6.241357 
1 1 1 10  -12 42 o 12.913  3.2871  22.118    13.784    39.543    24.848    14.373    16.566    15.209  5.1370  10.617  4.1026  4.591567       6.574236 
1 1 1 10  -12 43 o 25.105  3.3440  130.053   20.930    47.996    35.923    172.225   25.753    15.853  6.0629  34.357  2.8234  -18.50459      6.688080 
1 1 1 10  -12 44 o 14.451  3.5127  32.125    14.997    52.168    28.981    24.795    17.526    16.526  5.5480  12.375  4.3099  4.151426       7.025352 
1 1 1 10  -12 45 o 23.642  3.4997  91.264    19.944    128.819   37.373    76.310    23.583    26.049  5.5277  21.235  4.2939  4.813576       6.999472 
1 1 1 10  -12 46 o 10.510  3.1427  14.655    14.949    2.6800    29.263    18.884    17.390    10.162  4.6750  10.858  4.2012  -0.6956491     6.285339 
1 1 1 10  -11 0  o 188.769 3.7213  4780.53   188.103   4661.78   266.462   4898.49   265.574   186.428 5.3363  191.110 5.1882  -4.682617      7.442630 
1 1 1 10  -11 1  o 208.380 4.0373  5826.78   225.262   5668.35   319.136   5984.09   318.004   205.551 5.7965  211.209 5.6212  -5.658371      8.074512 
1 1 1 10  -11 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -11 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -11 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -11 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -11 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -11 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -11 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -11 9  o 12.795  1.7629  20.310    8.4976    -19.8445  12.630    53.522    11.486    5.7232  2.7592  19.867  2.1952  -14.14368      3.525895 
1 1 1 10  -11 10 o 428.231 7.9526  24791.44  912.120   24498.41  1290.61   25083.87  1289.26   425.677 11.319  430.785 11.174  -5.108368      15.90527 
1 1 1 10  -11 11 o 42.492  1.6857  243.327   19.020    235.179   27.990    250.317   25.926    41.819  2.5105  43.165  2.2502  -1.346050      3.371343 
1 1 1 10  -11 12 o 330.984 6.2451  14783.71  553.642   14712.73  784.116   14854.27  781.826   330.182 8.8662  331.786 8.7976  -1.603882      12.49027 
1 1 1 10  -11 13 o 219.377 4.2366  6471.56   248.941   6487.13   353.096   6456.17   351.025   219.638 6.0020  219.116 5.9810  0.5215912      8.473289 
1 1 1 10  -11 14 o 65.151  1.8855  568.906   32.887    571.696   47.306    566.296   45.751    65.304  2.7045  64.997  2.6280  0.3074265      3.771024 
1 1 1 10  -11 15 o 118.489 2.5946  1883.99   82.343    1898.56   117.028   1869.70   115.882   118.943 3.6733  118.036 3.6653  0.9067535      5.189219 
1 1 1 10  -11 16 o 169.803 3.4166  3877.00   155.390   3871.27   219.983   3882.71   219.528   169.677 4.8404  169.930 4.8232  -0.2527771     6.833139 
1 1 1 10  -11 17 o 159.386 3.2538  3416.28   138.893   3480.21   196.470   3352.42   196.377   160.882 4.5593  157.889 4.6435  2.993057       6.507673 
1 1 1 10  -11 18 f 31.690  1.8859  135.885   15.790    121.506   22.213    150.574   22.450    29.966  2.7999  33.414  2.5271  -3.447329      3.771709 
1 1 1 10  -11 19 o 120.564 2.6725  1952.91   86.296    1921.56   121.622   1984.69   122.464   119.588 3.7969  121.541 3.7618  -1.952187      5.344922 
1 1 1 10  -11 20 o 67.030  2.0155  603.370   36.158    622.701   50.757    583.451   51.522    68.124  2.7817  65.936  2.9173  2.188072       4.030908 
1 1 1 10  -11 21 o 98.547  2.4104  1306.54   63.515    1381.93   89.283    1229.29   90.375    101.440 3.2860  95.654  3.5274  5.786301       4.820845 
1 1 1 10  -11 22 o 45.160  2.5459  285.225   28.250    303.512   34.730    249.463   48.567    47.479  2.7426  42.842  4.2900  4.636681       5.091786 
1 1 1 10  -11 23 o 237.439 9.4935  7742.63   603.760   0.0000    0.0000    7742.63   603.760   ?       ?       237.439 9.4935  ?              ?        
1 1 1 10  -11 24 o 42.562  1.9537  247.274   21.852    217.107   32.250    272.881   29.713    40.094  3.0253  45.030  2.4730  -4.935898      3.907469 
1 1 1 10  -11 25 o 80.618  2.1476  872.683   46.314    882.636   67.392    863.775   63.755    81.047  3.1044  80.188  2.9683  0.8591843      4.295160 
1 1 1 10  -11 26 o 244.786 4.7066  8170.17   308.271   8653.30   438.707   7698.96   433.267   252.036 6.4987  237.535 6.8099  14.50055       9.413113 
1 1 1 10  -11 27 o 90.829  2.2844  1106.18   55.423    1227.96   81.046    999.203   75.959    95.515  3.1679  86.143  3.2921  9.372032       4.568769 
1 1 1 10  -11 28 o 19.097  2.7763  55.482    13.587    30.904    21.148    72.757    17.730    15.131  4.7124  23.063  2.9367  -7.932294      5.552569 
1 1 1 10  -11 29 o 89.446  2.2823  1076.34   54.582    1157.73   79.961    1005.33   74.688    92.602  3.2238  86.290  3.2315  6.311485       4.564579 
1 1 1 10  -11 30 o 44.716  2.0106  274.206   23.580    248.696   35.562    294.220   31.500    42.776  3.1255  46.657  2.5301  -3.880577      4.021211 
1 1 1 10  -11 31 o 44.289  2.0034  268.047   23.311    255.500   35.559    277.502   30.869    43.314  3.0851  45.264  2.5566  -1.949825      4.006794 
1 1 1 10  -11 32 o 45.676  4.7035  291.822   56.721    291.822   56.721    0.0000    0.0000    45.676  4.7035  ?       ?       ?              ?        
1 1 1 10  -11 33 o 51.582  2.0648  364.960   28.037    348.797   42.851    377.059   37.073    50.451  3.1875  52.714  2.6257  -2.263577      4.129670 
1 1 1 10  -11 34 o 14.543  2.6864  32.737    11.927    6.7153    19.728    47.726    14.973    10.653  4.3558  18.433  3.1454  -7.779716      5.372787 
1 1 1 10  -11 35 o 33.962  2.1830  158.321   19.323    165.842   30.424    153.237   25.016    34.552  3.3286  33.372  2.8252  1.180977       4.365920 
1 1 1 10  -11 36 o 33.926  2.2060  152.460   19.337    202.370   31.556    122.449   24.470    38.201  3.1111  29.651  3.1283  8.549295       4.411900 
1 1 1 10  -11 37 o 25.077  2.5840  88.652    16.297    94.530    26.943    85.260    20.466    25.551  4.0737  24.603  3.1801  0.9471817      5.167970 
1 1 1 10  -11 38 o 14.446  3.1908  27.960    13.027    40.797    23.196    22.046    15.744    16.401  4.9022  12.490  4.0857  3.911605       6.381540 
1 1 1 10  -11 39 o 10.637  2.8012  10.484    12.660    -19.4829  22.284    24.766    15.384    8.3049  3.9063  12.970  4.0159  -4.665030      5.602409 
1 1 1 10  -11 40 o 20.691  5.1825  69.628    28.660    69.628    28.660    0.0000    0.0000    20.691  5.1825  ?       ?       ?              ?        
1 1 1 10  -11 41 o 23.613  2.9432  80.473    17.339    113.300   29.619    63.356    21.387    27.040  4.2281  20.187  4.0955  6.852837       5.886393 
1 1 1 10  -11 42 o 12.325  3.1829  22.567    15.027    -1.1162   27.066    33.120    18.067    10.357  4.6583  14.293  4.3388  -3.936296      6.365878 
1 1 1 10  -11 43 o 14.750  3.4637  37.982    15.803    31.206    28.934    40.862    18.865    13.809  5.3979  15.691  4.3417  -1.882182      6.927335 
1 1 1 10  -11 44 o 12.190  3.3055  23.129    15.310    10.154    28.442    28.422    18.167    11.289  4.9406  13.091  4.3926  -1.801218      6.610915 
1 1 1 10  -11 45 o 11.025  2.9790  14.663    15.431    -35.6995  30.047    32.703    17.983    8.3161  4.0654  13.734  4.3553  -5.417730      5.957915 
1 1 1 10  -11 46 o 8.9421  2.9389  -3.1500   14.055    6.6433    29.641    -5.9904   15.963    10.493  4.7810  7.3913  3.4190  3.101718       5.877714 
1 1 1 10  -10 0  o 243.531 6.6173  7975.12   431.503   7790.42   612.715   8156.87   607.789   240.718 9.5030  246.344 9.2113  -5.625336      13.23463 
1 1 1 10  -10 1  o 367.028 6.8333  18113.27  671.678   17777.67  950.290   18448.32  949.504   363.616 9.7572  370.440 9.5695  -6.823151      13.66668 
1 1 1 10  -10 2  o 188.309 3.6578  4754.17   184.483   4815.31   261.423   4693.53   260.377   189.515 5.1500  187.102 5.1956  2.413620       7.315538 
1 1 1 10  -10 3  o 151.038 3.0600  3058.56   123.731   2949.49   175.060   3167.45   174.906   148.344 4.4058  153.732 4.2477  -5.387650      6.119980 
1 1 1 10  -10 4  o 320.778 6.0345  13822.56  518.480   13816.04  733.077   13829.09  733.405   320.703 8.5341  320.854 8.5339  -0.1514587     12.06890 
1 1 1 10  -10 5  o 210.161 4.0202  5923.37   226.284   5831.85   319.505   6015.47   320.525   208.531 5.7203  211.792 5.6502  -3.261063      8.040307 
1 1 1 10  -10 6  o 395.802 7.2909  21079.80  772.890   20784.34  1092.45   21375.88  1093.61   393.013 10.378  398.591 10.243  -5.577881      14.58177 
1 1 1 10  -10 7  o 80.275  1.9909  863.388   42.802    848.459   60.506    878.342   60.557    79.580  2.8386  80.970  2.7922  -1.389771      3.981718 
1 1 1 10  -10 8  o 195.591 3.7945  5130.91   198.777   5086.51   281.566   5175.03   280.663   194.745 5.3979  196.436 5.3343  -1.690460      7.588922 
1 1 1 10  -10 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -10 11 o 245.060 4.6427  8066.88   304.727   8181.69   432.215   7953.40   429.694   246.797 6.5384  243.323 6.5931  3.473709       9.285412 
1 1 1 10  -10 12 o 141.307 2.9002  2677.46   109.757   2735.00   156.206   2621.35   154.252   142.808 4.0837  139.807 4.1192  3.000351       5.800395 
1 1 1 10  -10 13 o 153.775 3.1348  3172.76   129.111   3219.30   183.316   3126.94   181.874   154.895 4.4185  152.655 4.4480  2.240204       6.269622 
1 1 1 10  -10 14 o 133.306 2.8423  2384.42   101.485   2375.95   143.826   2392.82   143.220   133.069 4.0353  133.543 4.0040  -0.4735565     5.684660 
1 1 1 10  -10 15 o 94.533  2.2651  1198.91   57.325    1156.70   81.120    1241.02   81.021    92.867  3.2612  96.198  3.1444  -3.330437      4.530210 
1 1 1 10  -10 16 f 89.923  2.2371  1085.36   53.835    1136.35   76.046    1034.14   76.222    92.045  3.0845  87.801  3.2411  4.244095       4.474274 
1 1 1 10  -10 17 o 24.507  1.9073  81.597    12.284    87.668    17.419    75.592    17.325    25.438  2.5927  23.576  2.7981  1.862129       3.814646 
1 1 1 10  -10 18 o 75.554  2.0639  765.680   41.736    726.050   58.557    806.599   59.503    73.565  2.9718  77.543  2.8649  -3.978210      4.127840 
1 1 1 10  -10 19 o 125.426 2.7561  2113.56   92.583    2075.30   130.174   2152.73   131.705   124.276 3.9106  126.576 3.8847  -2.299896      5.512187 
1 1 1 10  -10 20 o 170.002 3.4750  3893.55   158.188   3977.69   222.933   3808.23   224.497   171.867 4.8428  168.138 4.9849  3.728256       6.949934 
1 1 1 10  -10 21 o 39.415  1.9259  209.751   20.174    217.968   28.151    201.077   28.925    40.223  2.6274  38.608  2.8165  1.615009       3.851726 
1 1 1 10  -10 22 o 32.236  1.9591  142.253   16.495    127.098   24.647    154.548   22.199    30.619  3.0457  33.854  2.4650  -3.235373      3.918284 
1 1 1 10  -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -10 24 o 99.080  2.4190  1323.02   64.009    1249.10   92.343    1391.37   88.804    96.393  3.5766  101.767 3.2579  -5.374306      4.837964 
1 1 1 10  -10 25 o 77.778  2.1637  814.583   44.936    784.243   65.440    841.653   61.813    76.393  3.1981  79.163  2.9152  -2.769577      4.327427 
1 1 1 10  -10 26 o 88.759  2.2754  1060.34   53.986    1042.48   78.496    1076.37   74.367    88.036  3.3289  89.481  3.1028  -1.445328      4.550723 
1 1 1 10  -10 27 o 73.365  2.1405  726.404   41.866    695.463   61.470    753.172   57.176    71.885  3.1926  74.845  2.8521  -2.960258      4.281006 
1 1 1 10  -10 28 o 14.656  2.7951  31.580    12.099    12.081    19.514    43.756    15.420    11.585  4.4594  17.726  3.3711  -6.140068      5.590253 
1 1 1 10  -10 29 f 62.148  2.0289  517.900   33.643    548.971   50.328    492.801   45.234    63.814  2.9444  60.481  2.7923  3.332817       4.057895 
1 1 1 10  -10 30 o 15.350  2.5013  37.297    11.661    2.3190    18.871    58.901    14.831    9.9794  4.1860  20.720  2.7395  -10.74099      5.002683 
1 1 1 10  -10 31 f 21.590  2.4149  63.887    13.107    68.497    21.572    61.190    16.502    22.128  3.7750  21.052  3.0126  1.076559       4.829720 
1 1 1 10  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -10 33 o 54.245  2.1092  405.337   30.048    376.397   45.853    427.118   39.779    52.386  3.2845  56.103  2.6472  -3.716850      4.218424 
1 1 1 10  -10 34 o 19.237  2.8258  60.674    14.161    24.521    22.834    83.267    18.051    13.900  4.9136  24.574  2.7921  -10.67365      5.651514 
1 1 1 10  -10 35 o 13.961  2.9764  25.748    11.521    34.777    20.158    21.369    14.040    15.533  4.5516  12.388  3.8366  3.144711       5.952876 
1 1 1 10  -10 36 o 27.571  2.4206  105.565   17.043    112.337   27.663    101.422   21.637    28.153  3.7626  26.989  3.0464  1.164528       4.841227 
1 1 1 10  -10 37 o 18.009  2.9705  46.677    13.564    52.013    23.039    43.846    16.781    18.651  4.6326  17.367  3.7196  1.284418       5.941064 
1 1 1 10  -10 38 o 18.961  3.0134  60.591    15.133    29.027    25.529    77.691    18.790    14.491  5.1877  23.432  3.0675  -8.941033      6.026734 
1 1 1 10  -10 39 o 35.982  2.6340  196.930   23.105    153.897   37.398    223.494   29.383    32.006  4.4856  39.957  2.7624  -7.950798      5.267928 
1 1 1 10  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -10 41 o 21.732  3.2560  76.033    17.494    74.044    30.269    77.030    21.437    20.856  5.3823  22.608  3.6655  -1.751799      6.511925 
1 1 1 10  -10 42 o 12.151  3.1383  22.013    14.313    0.8016    26.387    30.856    17.038    10.430  4.6519  13.872  4.2139  -3.442650      6.276665 
1 1 1 10  -10 43 o 8.6552  2.7948  -3.3765   12.797    -7.4510   25.634    -2.0239   14.770    9.5003  4.3724  7.8102  3.4821  1.690062       5.589556 
1 1 1 10  -10 44 o 8.1516  2.6827  -7.6042   13.203    -23.1484  26.263    -2.3476   15.273    8.4598  4.0530  7.8433  3.5157  0.6164117      5.365316 
1 1 1 10  -10 45 o 11.147  3.3294  11.527    15.438    30.477    29.467    4.3578    18.124    13.196  5.3506  9.0983  3.9638  4.097664       6.658858 
1 1 1 10  -10 46 o 11.295  3.3679  9.3821    15.080    47.323    31.671    -1.7415   17.149    14.539  5.6573  8.0508  3.6560  6.487821       6.735831 
1 1 1 10  -9  0  o 375.476 6.9607  18949.34  700.004   18746.43  990.362   19151.92  989.550   373.459 9.9006  377.492 9.7868  -4.032990      13.92133 
1 1 1 10  -9  1  o 586.781 10.887  46512.24  1711.10   46217.78  2420.33   46806.47  2419.40   584.907 15.449  588.654 15.345  -3.747559      21.77454 
1 1 1 10  -9  2  o 351.528 6.4180  16599.20  604.288   16521.59  855.072   16676.63  854.112   350.704 9.1027  352.352 9.0500  -1.647827      12.83599 
1 1 1 10  -9  3  o 438.648 8.0808  25893.69  949.333   25468.47  1342.31   26319.23  1342.81   435.028 11.520  442.269 11.335  -7.240295      16.16166 
1 1 1 10  -9  4  o 120.926 2.5784  1959.24   83.508    1926.91   117.664   1992.06   118.537   119.920 3.6632  121.931 3.6295  -2.011238      5.156785 
1 1 1 10  -9  5  o 33.084  1.5812  147.408   13.915    150.556   19.380    144.059   19.991    33.455  2.1745  32.714  2.2961  0.7414398      3.162350 
1 1 1 10  -9  6  o 207.014 3.9304  5746.33   217.928   5784.11   308.173   5708.53   308.222   207.696 5.5396  206.333 5.5771  1.363037       7.860723 
1 1 1 10  -9  7  o 121.388 2.5652  1974.33   83.401    1991.13   118.480   1957.82   117.420   121.900 3.6287  120.876 3.6267  1.024048       5.130369 
1 1 1 10  -9  8  o 259.997 4.8634  9071.63   338.683   9091.04   480.051   9052.40   477.896   260.273 6.8860  259.720 6.8697  0.5524292      9.726789 
1 1 1 10  -9  9  f 317.912 5.9067  13580.93  502.929   13422.23  712.403   13738.60  710.101   316.053 8.4154  319.771 8.2907  -3.718689      11.81337 
1 1 1 10  -9  10 o 188.451 3.6441  4762.46   183.914   4880.69   261.270   4646.33   258.932   190.772 5.1131  186.131 5.1937  4.640427       7.288260 
1 1 1 10  -9  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -9  12 o 191.718 3.7393  4932.25   192.015   4985.92   272.110   4879.02   270.995   192.758 5.2704  190.678 5.3060  2.080093       7.478698 
1 1 1 10  -9  13 o 205.037 3.9926  5646.43   219.207   5806.52   310.266   5486.87   309.747   207.947 5.5705  202.128 5.7213  5.819473       7.985176 
1 1 1 10  -9  14 o 31.740  1.7606  135.902   14.835    142.242   21.000    129.586   20.960    32.489  2.4308  30.991  2.5476  1.497749       3.521215 
1 1 1 10  -9  15 o 129.278 2.7680  2242.83   95.833    2276.38   135.202   2208.95   135.857   130.252 3.8753  128.303 3.9533  1.948563       5.535938 
1 1 1 10  -9  16 o 207.315 4.0678  5784.35   225.874   5816.79   318.841   5751.66   320.030   207.903 5.7256  206.727 5.7797  1.176651       8.135592 
1 1 1 10  -9  17 o 249.522 4.8147  8405.36   321.746   8539.07   454.370   8270.89   455.667   251.531 6.7442  247.513 6.8732  4.018372       9.629377 
1 1 1 10  -9  18 o 193.022 3.8387  5018.44   198.445   5076.60   279.898   4959.65   281.395   194.156 5.3822  191.888 5.4749  2.267822       7.677445 
1 1 1 10  -9  19 o 266.847 5.1448  9644.10   367.676   9502.52   521.223   9784.32   518.730   264.868 7.3469  268.825 7.2041  -3.957001      10.28963 
1 1 1 10  -9  20 o 164.447 3.3382  3640.26   147.022   3635.12   209.435   3645.26   206.438   164.326 4.7583  164.569 4.6833  -0.2423401     6.676450 
1 1 1 10  -9  21 o 47.722  1.8555  307.805   23.489    287.306   34.573    325.380   32.012    46.188  2.8079  49.255  2.4265  -3.067486      3.711090 
1 1 1 10  -9  22 o 239.334 4.6481  7759.06   297.884   7603.65   423.081   7911.84   419.485   236.919 6.6671  241.749 6.4783  -4.830307      9.296152 
1 1 1 10  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -9  24 o 130.658 2.8184  2294.79   98.581    2398.03   141.650   2197.82   137.282   133.508 3.9611  127.807 4.0102  5.702065       5.636703 
1 1 1 10  -9  25 o 143.276 3.0965  2773.32   118.528   2594.78   169.676   2943.47   165.645   138.722 4.5665  147.829 4.1834  -9.107742      6.193073 
1 1 1 10  -9  26 o 112.433 2.6002  1701.26   78.243    1714.56   113.128   1689.06   108.332   112.844 3.7429  112.023 3.6105  0.8212967      5.200422 
1 1 1 10  -9  27 o 92.974  2.3424  1161.65   58.256    1203.09   85.066    1125.05   79.945    94.526  3.3598  91.423  3.2647  3.103500       4.684739 
1 1 1 10  -9  28 o 104.212 2.4667  1459.96   68.689    1608.85   100.190   1327.92   94.353    109.222 3.4247  99.203  3.5509  10.01904       4.933345 
1 1 1 10  -9  29 o 85.626  2.3018  991.235   52.607    970.520   77.234    1009.16   71.853    84.759  3.4020  86.493  3.1015  -1.734161      4.603581 
1 1 1 10  -9  30 o 71.541  2.1157  689.380   40.399    713.722   60.107    669.323   54.560    72.670  3.0881  70.412  2.8929  2.257446       4.231443 
1 1 1 10  -9  31 o 71.766  2.1172  691.837   40.531    764.391   60.694    633.438   54.452    75.129  3.0161  68.402  2.9720  6.726532       4.234389 
1 1 1 10  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -9  33 o 25.554  2.3061  87.034    15.081    108.391   24.698    74.335    19.044    27.965  3.3648  23.143  3.1544  4.821650       4.612151 
1 1 1 10  -9  34 o 56.758  2.0712  436.112   31.129    475.990   47.808    406.764   41.014    58.947  3.0383  54.568  2.8157  4.378914       4.142372 
1 1 1 10  -9  35 o 40.682  2.1436  226.027   22.807    238.764   36.028    217.509   29.462    41.546  3.2638  39.819  2.7798  1.726799       4.287215 
1 1 1 10  -9  36 o 23.859  2.6920  84.736    15.625    69.017    25.584    94.086    19.732    21.682  4.5505  26.036  2.8775  -4.354818      5.383972 
1 1 1 10  -9  37 o 24.753  2.5557  82.825    15.926    107.196   26.981    69.795    19.729    27.375  3.7807  22.132  3.4398  5.242708       5.111362 
1 1 1 10  -9  38 o 43.573  2.2567  265.577   25.512    273.265   40.986    260.713   32.597    43.867  3.5178  43.279  2.8275  0.5876999      4.513313 
1 1 1 10  -9  39 o 44.337  2.3774  282.286   27.049    273.276   43.771    287.853   34.404    43.376  3.8059  45.298  2.8501  -1.922184      4.754763 
1 1 1 10  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -9  41 o 25.555  3.2181  111.095   19.511    79.476    32.799    128.411   24.273    21.384  5.6439  29.726  3.0938  -8.342379      6.436289 
1 1 1 10  -9  42 o 21.225  3.3304  75.236    17.460    71.541    31.031    76.948    21.120    19.990  5.5817  22.460  3.6348  -2.470091      6.660841 
1 1 1 10  -9  43 o 24.585  3.3551  97.506    20.070    111.503   35.653    91.012    24.283    25.060  5.4654  24.109  3.8929  0.9511223      6.710131 
1 1 1 10  -9  44 o 10.234  3.1169  8.0819    13.697    9.9103    28.015    7.5076    15.702    11.229  4.9090  9.2392  3.8423  1.989377       6.233844 
1 1 1 10  -9  45 o 14.114  3.6160  33.398    16.043    49.830    31.003    27.388    18.749    15.581  5.6974  12.648  4.4544  2.933096       7.232007 
1 1 1 10  -9  46 o 12.411  3.3906  29.272    16.202    18.321    30.920    33.417    19.023    11.459  5.0775  13.363  4.4949  -1.903956      6.781217 
1 1 1 10  -8  0  o 245.270 4.6689  8069.34   306.682   7925.16   434.127   8212.97   433.303   243.079 6.6678  247.461 6.5373  -4.381760      9.337809 
1 1 1 10  -8  1  o 468.554 8.6663  29551.56  1087.60   29309.17  1538.50   29793.69  1537.70   466.623 12.310  470.485 12.202  -3.861908      17.33255 
1 1 1 10  -8  2  o 555.607 10.082  41626.59  1500.46   41692.79  2122.43   41560.44  2121.50   556.051 14.250  555.164 14.267  0.8876953      20.16496 
1 1 1 10  -8  3  o 389.859 7.1161  20425.50  743.081   20374.14  1050.76   20476.89  1050.98   389.367 10.075  390.351 10.052  -0.9837341     14.23214 
1 1 1 10  -8  4  o 317.859 5.8717  13565.06  499.806   13863.13  706.609   13266.61  707.057   321.363 8.2091  314.356 8.3974  7.007080       11.74331 
1 1 1 10  -8  5  o 380.450 7.0003  19451.82  713.333   19592.15  1008.77   19311.46  1008.84   381.827 9.8636  379.073 9.9360  2.754547       14.00053 
1 1 1 10  -8  6  o 477.089 8.8257  30658.33  1127.67   30091.17  1594.90   31225.29  1594.61   472.652 12.598  481.527 12.364  -8.875549      17.65136 
1 1 1 10  -8  7  o 340.388 6.3036  15564.63  574.671   15384.00  813.802   15744.29  811.617   338.411 8.9781  342.366 8.8506  -3.954407      12.60711 
1 1 1 10  -8  8  o 339.126 6.3639  15453.86  577.971   15168.70  818.341   15737.69  816.410   335.993 9.0932  342.259 8.9056  -6.266602      12.72775 
1 1 1 10  -8  9  o 218.859 4.1486  6424.10   243.188   6496.83   344.994   6352.27   342.855   220.091 5.8522  217.627 5.8818  2.463882       8.297202 
1 1 1 10  -8  10 o 159.204 3.2174  3397.88   137.146   3522.14   194.738   3275.60   193.177   162.094 4.4853  156.314 4.6139  5.780090       6.434772 
1 1 1 10  -8  11 o 49.350  2.0939  325.456   26.435    320.388   32.918    334.660   44.360    48.838  2.5251  49.862  3.3408  -1.024395      4.187716 
1 1 1 10  -8  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -8  13 f 181.782 3.6065  4434.65   175.589   4484.63   247.964   4384.38   248.679   182.812 5.0640  180.752 5.1365  2.060074       7.213028 
1 1 1 10  -8  14 o 147.670 3.0839  2928.05   121.861   3065.20   171.883   2789.44   172.796   151.157 4.2454  144.184 4.4743  6.973267       6.167886 
1 1 1 10  -8  15 o 73.584  2.0312  725.878   40.026    727.741   56.119    723.950   57.105    73.681  2.8436  73.487  2.9012  0.1935577      4.062359 
1 1 1 10  -8  16 o 124.782 3.2698  2062.26   103.660   2001.97   126.901   2183.16   179.702   122.135 3.8791  127.429 5.2650  -5.294029      6.539694 
1 1 1 10  -8  17 o 59.599  1.8867  479.947   29.862    431.959   43.189    523.898   41.334    56.683  2.8538  62.514  2.4685  -5.830780      3.773320 
1 1 1 10  -8  18 o 98.274  2.3604  1302.41   61.811    1172.45   88.550    1425.91   86.319    93.457  3.5375  103.091 3.1261  -9.634361      4.720788 
1 1 1 10  -8  19 o 43.155  1.8700  255.544   21.050    204.421   30.671    301.067   28.943    38.922  2.9644  47.388  2.2803  -8.466660      3.739922 
1 1 1 10  -8  20 o 136.200 2.8950  2493.91   105.581   2484.33   150.982   2503.09   147.701   135.938 4.1466  136.463 4.0409  -0.5254364     5.789953 
1 1 1 10  -8  21 f 8.5974  2.3823  5.8309    7.9289    3.1548    12.694    7.5431    10.153    8.5128  3.4888  8.6819  3.2448  -0.1691027     4.764526 
1 1 1 10  -8  22 o 86.878  2.2821  1021.70   52.665    898.003   76.003    1135.96   73.045    81.761  3.4705  91.996  2.9644  -10.23499      4.564206 
1 1 1 10  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -8  24 o 89.208  2.2639  1066.77   54.037    1118.65   78.611    1020.29   74.402    91.259  3.2160  87.157  3.1871  4.101768       4.527734 
1 1 1 10  -8  25 o 149.594 3.1381  3015.24   125.705   3050.73   180.215   2981.62   175.429   150.443 4.4723  148.744 4.4033  1.699127       6.276134 
1 1 1 10  -8  26 o 131.296 2.8662  2322.31   100.745   2348.45   145.125   2297.99   139.964   131.998 4.1047  130.593 4.0014  1.405060       5.732349 
1 1 1 10  -8  27 f 157.641 3.3133  3364.69   139.800   3307.85   200.495   3418.48   195.031   156.308 4.7889  158.973 4.5803  -2.665665      6.626631 
1 1 1 10  -8  28 o 16.440  2.8309  40.554    13.378    14.482    20.790    58.980    17.478    12.207  4.6258  20.673  3.2649  -8.465603      5.661895 
1 1 1 10  -8  29 o 10.780  2.6267  5.9726    10.131    29.301    17.235    -6.3428   12.523    14.536  4.1943  7.0246  3.1632  7.511211       5.253403 
1 1 1 10  -8  30 o 28.116  2.1408  106.118   15.699    121.217   24.485    95.579    20.457    29.787  3.1150  26.445  2.9377  3.341967       4.281691 
1 1 1 10  -8  31 o 36.962  2.0116  182.585   19.542    208.088   30.547    164.919   25.424    39.101  2.9382  34.823  2.7482  4.278263       4.023103 
1 1 1 10  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -8  33 o 58.449  2.0900  459.885   32.410    511.680   49.797    421.820   42.690    61.280  3.0338  55.618  2.8755  5.662430       4.180007 
1 1 1 10  -8  34 o 56.893  2.0827  434.618   31.387    504.974   48.495    383.902   41.174    60.814  2.9772  52.972  2.9131  7.842682       4.165325 
1 1 1 10  -8  35 o 34.570  2.1904  160.206   19.721    193.638   31.673    139.041   25.201    37.415  3.1911  31.726  3.0013  5.688887       4.380733 
1 1 1 10  -8  36 o 17.792  2.8706  40.982    13.050    67.774    22.833    27.985    15.903    21.644  4.0884  13.941  4.0307  7.702828       5.741248 
1 1 1 10  -8  37 o 40.996  2.2380  227.074   23.894    273.451   38.831    198.813   30.312    44.199  3.3039  37.792  3.0197  6.406902       4.476023 
1 1 1 10  -8  38 o 9.9242  2.9300  5.3143    11.937    6.7140    22.363    4.7566    14.116    10.928  4.5684  8.9203  3.6702  2.007728       5.860085 
1 1 1 10  -8  39 o 31.135  2.5322  134.519   20.104    165.096   33.841    117.843   24.991    33.618  3.8264  28.652  3.3178  4.966064       5.064456 
1 1 1 10  -8  40 o 30.002  4.2641  136.900   33.302    0.0000    0.0000    136.900   33.302    ?       ?       30.002  4.2641  ?              ?        
1 1 1 10  -8  41 o 32.121  2.6649  150.317   21.459    172.743   37.060    139.006   26.320    33.429  4.2340  30.814  3.2373  2.614063       5.329795 
1 1 1 10  -8  42 o 19.023  3.5273  62.835    17.652    56.795    31.568    65.582    21.292    17.626  5.7862  20.420  4.0359  -2.793983      7.054668 
1 1 1 10  -8  43 o 8.5118  2.7549  -4.4451   12.915    -10.7148  24.845    -2.1237   15.118    9.1293  4.2379  7.8944  3.5211  1.234822       5.509785 
1 1 1 10  -8  44 o 14.243  3.4794  36.326    16.151    25.619    31.012    40.311    18.919    13.050  5.4111  15.436  4.3754  -2.386045      6.958727 
1 1 1 10  -8  45 o 7.3115  2.4156  -8.3681   11.366    -50.3323  26.695    0.9239    12.562    7.1194  3.5437  7.5036  3.2836  -0.3841300     4.831134 
1 1 1 10  -7  0  o 351.617 6.5518  16604.22  617.010   16393.23  872.926   16814.88  872.244   349.378 9.3281  353.856 9.2028  -4.477814      13.10364 
1 1 1 10  -7  1  o 174.576 3.4673  4085.27   162.106   4013.94   229.613   4156.15   228.894   173.055 4.9536  176.097 4.8528  -3.041672      6.934577 
1 1 1 10  -7  2  o 207.083 3.9999  5749.40   221.849   5673.74   313.848   5824.96   313.634   205.720 5.6958  208.447 5.6175  -2.726501      7.999870 
1 1 1 10  -7  3  o 467.355 8.6635  29395.69  1084.49   29308.83  1533.42   29482.62  1533.98   466.661 12.268  468.049 12.236  -1.387451      17.32690 
1 1 1 10  -7  4  o 337.678 6.2954  15312.50  569.320   15608.56  805.126   15016.41  805.153   340.952 8.8162  334.405 8.9891  6.547089       12.59086 
1 1 1 10  -7  5  o 205.966 3.9537  5687.58   218.105   5645.19   309.122   5729.60   307.777   205.200 5.6242  206.732 5.5583  -1.531082      7.907359 
1 1 1 10  -7  6  o 684.108 12.510  63355.40  2292.35   63442.00  3243.19   63268.94  3240.57   684.578 17.687  683.639 17.697  0.9384155      25.02061 
1 1 1 10  -7  7  o 77.424  1.9273  801.716   39.899    870.930   57.597    737.862   55.322    80.632  2.6669  74.216  2.7830  6.415863       3.854538 
1 1 1 10  -7  8  o 420.203 7.7223  23754.03  869.098   23484.04  1229.81   24023.39  1228.37   417.806 10.989  422.600 10.852  -4.794312      15.44453 
1 1 1 10  -7  9  o 116.841 2.5282  1829.33   79.097    1887.97   112.239   1771.49   111.486   118.702 3.5302  114.981 3.6200  3.721443       5.056314 
1 1 1 10  -7  10 f 216.279 4.1723  6274.41   241.682   6362.59   341.775   6186.22   341.804   217.801 5.8586  214.757 5.9421  3.044586       8.344548 
1 1 1 10  -7  11 o 346.711 6.4702  16167.24  600.772   16488.16  849.449   15846.07  849.790   350.168 9.0567  343.253 9.2429  6.914734       12.94046 
1 1 1 10  -7  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -7  13 o 58.018  1.8574  450.845   28.855    435.125   40.394    467.224   41.232    56.986  2.6464  59.051  2.6069  -2.064953      3.714737 
1 1 1 10  -7  14 o 276.390 5.2034  10280.73  385.105   10588.43  545.993   9976.10   543.259   280.522 7.2666  272.257 7.4497  8.264618       10.40680 
1 1 1 10  -7  15 o 79.736  2.0552  851.347   43.866    891.261   63.154    814.138   60.976    81.540  2.8916  77.932  2.9212  3.608505       4.110314 
1 1 1 10  -7  16 o 122.738 2.6411  2020.58   86.809    2072.47   124.104   1970.86   121.471   124.281 3.7281  121.196 3.7419  3.085777       5.282150 
1 1 1 10  -7  17 o 173.041 3.4966  4027.90   161.979   3912.69   230.384   4140.53   227.785   170.580 5.0424  175.503 4.8456  -4.923431      6.993273 
1 1 1 10  -7  18 f 131.975 2.8032  2338.26   99.054    2428.82   141.606   2251.50   138.609   134.479 3.9313  129.471 3.9970  5.008377       5.606338 
1 1 1 10  -7  19 o 123.388 2.7023  2044.91   89.286    2048.25   127.799   2041.73   124.793   123.483 3.8639  123.294 3.7789  0.1888123      5.404607 
1 1 1 10  -7  20 o 76.941  2.1133  798.343   43.336    731.808   62.613    859.522   60.040    73.840  3.1658  80.043  2.8004  -6.203438      4.226686 
1 1 1 10  -7  21 o 205.880 4.0519  5720.21   223.430   5784.34   317.956   5657.65   314.037   207.019 5.7341  204.741 5.7265  2.277603       8.103867 
1 1 1 10  -7  22 o 113.713 2.5806  1735.94   78.563    1794.76   113.138   1681.16   109.177   115.571 3.6549  111.854 3.6441  3.716354       5.161150 
1 1 1 10  -7  23 o 251.960 9.7683  8714.99   659.231   0.0000    0.0000    8714.99   659.231   ?       ?       251.960 9.7683  ?              ?        
1 1 1 10  -7  24 o 240.584 4.6538  7846.29   299.879   7926.68   426.626   7767.78   421.605   241.799 6.5872  239.368 6.5758  2.430832       9.307692 
1 1 1 10  -7  25 o 120.902 2.7219  1967.12   88.072    1963.11   127.071   1970.82   122.178   120.772 3.9282  121.032 3.7688  -0.2607346     5.443776 
1 1 1 10  -7  26 o 230.851 4.4692  7246.92   275.931   7777.55   393.671   6734.47   386.868   239.255 6.1431  222.447 6.4930  16.80748       8.938479 
1 1 1 10  -7  27 o 82.031  2.3036  913.386   50.173    825.122   73.552    990.198   68.615    78.260  3.5089  85.802  2.9856  -7.541924      4.607185 
1 1 1 10  -7  28 o 66.402  2.1236  594.218   37.560    589.182   56.021    598.329   50.623    66.127  3.1629  66.678  2.8345  -0.5510635     4.247168 
1 1 1 10  -7  29 o 79.318  2.2148  845.315   46.913    894.989   69.697    804.169   63.433    81.427  3.1957  77.209  3.0673  4.218086       4.429521 
1 1 1 10  -7  30 f 22.914  2.3752  72.890    13.743    71.015    22.004    74.090    17.597    22.577  3.7718  23.250  2.8879  -0.6736031     4.750378 
1 1 1 10  -7  31 o 64.472  2.1424  565.995   36.583    547.065   55.068    580.949   48.944    63.406  3.2535  65.538  2.7882  -2.132294      4.284739 
1 1 1 10  -7  32 o 48.410  3.6424  322.169   46.883    0.0000    0.0000    322.169   46.883    ?       ?       48.410  3.6424  ?              ?        
1 1 1 10  -7  33 o 82.723  2.3273  932.328   51.330    967.305   76.898    904.218   68.937    84.053  3.4156  81.393  3.1621  2.659859       4.654612 
1 1 1 10  -7  34 o 73.623  2.2507  739.742   44.072    762.876   66.799    721.910   58.647    74.554  3.3451  72.691  3.0121  1.862602       4.501399 
1 1 1 10  -7  35 o 10.265  2.8328  8.4597    10.468    14.620    19.197    5.8526    12.489    11.715  4.4437  8.8147  3.5147  2.900440       5.665635 
1 1 1 10  -7  36 o 30.629  2.5453  136.998   19.183    115.229   31.337    150.043   24.259    28.284  4.2693  32.973  2.7725  -4.689329      5.090577 
1 1 1 10  -7  37 o 12.554  3.0342  17.187    11.962    34.428    21.219    9.1561    14.482    15.303  4.7129  9.8050  3.8227  5.497984       6.068343 
1 1 1 10  -7  38 o 10.279  2.9617  7.7436    12.040    10.353    21.650    6.5752    14.487    11.258  4.5784  9.2997  3.7584  1.958034       5.923443 
1 1 1 10  -7  39 f 10.366  2.8411  9.7658    12.546    -16.7787  23.203    20.733    14.914    8.6982  4.0569  12.033  3.9784  -3.334981      5.682137 
1 1 1 10  -7  40 o 15.957  3.3270  41.161    14.786    35.544    26.834    43.610    17.719    15.065  5.3265  16.850  3.9880  -1.784486      6.654010 
1 1 1 10  -7  41 o 10.486  3.0789  8.0054    12.769    17.008    24.790    4.7540    14.898    12.098  4.9068  8.8735  3.7205  3.224503       6.157859 
1 1 1 10  -7  42 o 8.4109  2.7496  -9.5843   12.232    2.6378    24.781    -13.5212  14.064    10.357  4.5695  6.4646  3.0596  3.892730       5.499251 
1 1 1 10  -7  43 o 9.2365  2.8753  -5.5351   12.323    18.713    24.326    -13.9058  14.293    12.003  4.8633  6.4704  3.0687  5.532184       5.750565 
1 1 1 10  -7  44 o 12.136  3.4586  19.784    15.707    28.320    30.494    16.701    18.325    13.286  5.4219  10.985  4.2953  2.300934       6.917153 
1 1 1 10  -7  45 o 11.350  3.1252  19.686    15.281    -12.7417  30.799    30.274    17.599    9.5349  4.5171  13.165  4.3203  -3.630057      6.250482 
1 1 1 10  -6  0  o 315.637 5.8808  13372.02  497.149   13206.56  703.365   13537.21  702.785   313.681 8.3715  317.592 8.2616  -3.911499      11.76162 
1 1 1 10  -6  1  o 323.251 5.9337  14025.43  513.718   14221.70  727.032   13829.73  725.983   325.514 8.3386  320.988 8.4440  4.526001       11.86734 
1 1 1 10  -6  2  o 112.700 2.4491  1701.92   73.908    1650.74   104.399   1753.34   104.644   111.001 3.5114  114.399 3.4151  -3.398628      4.898261 
1 1 1 10  -6  3  o 379.494 7.0100  19347.97  712.540   19367.20  1007.61   19328.74  1007.75   379.684 9.9079  379.305 9.9192  0.3784485      14.01991 
1 1 1 10  -6  4  o 386.159 7.1239  20037.54  736.787   19774.87  1042.68   20299.51  1041.27   383.622 10.147  388.697 10.002  -5.074066      14.24783 
1 1 1 10  -6  5  o 563.049 10.249  42750.63  1545.64   42591.67  2186.79   42909.30  2184.95   561.994 14.527  564.104 14.461  -2.109436      20.49779 
1 1 1 10  -6  6  o 307.572 5.6518  12696.29  465.602   12826.83  659.627   12566.67  657.299   309.150 7.9660  305.994 8.0198  3.155670       11.30370 
1 1 1 10  -6  7  o 237.103 4.4658  7539.66   283.569   7714.39   401.792   7366.25   400.266   239.844 6.2544  234.363 6.3763  5.480576       8.931680 
1 1 1 10  -6  8  o 429.564 7.9163  24825.26  910.773   25175.40  1288.35   24475.47  1287.70   432.605 11.119  426.523 11.272  6.082214       15.83269 
1 1 1 10  -6  9  o 539.138 9.9690  39232.66  1439.16   40350.21  2035.65   38115.95  2034.89   546.873 13.897  531.402 14.296  15.47046       19.93796 
1 1 1 10  -6  10 o 151.597 3.1200  3104.86   124.793   3757.51   177.732   2470.23   175.262   167.447 3.9628  135.746 4.8203  31.70113       6.240082 
1 1 1 10  -6  11 o 320.327 5.9908  13788.99  513.991   13680.57  727.756   13896.89  726.032   319.065 8.5156  321.589 8.4288  -2.523895      11.98168 
1 1 1 10  -6  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -6  13 o 175.041 3.4760  4110.05   162.964   4128.08   231.598   4092.36   229.350   175.421 4.9291  174.661 4.9024  0.7590637      6.951963 
1 1 1 10  -6  14 o 117.005 2.6226  1840.71   81.941    1694.36   116.805   1982.53   114.980   112.407 3.8796  121.604 3.5301  -9.197166      5.245252 
1 1 1 10  -6  15 o 203.186 3.9476  5548.10   214.722   5791.29   305.107   5309.46   302.238   207.610 5.4868  198.763 5.6771  8.846863       7.895172 
1 1 1 10  -6  16 o 188.202 3.8519  4787.92   192.736   4135.03   273.320   5433.69   271.824   175.318 5.8204  201.085 5.0469  -25.76628      7.703772 
1 1 1 10  -6  17 o 257.962 4.8901  8980.29   337.715   9343.93   479.405   8622.06   475.818   263.178 6.8009  252.745 7.0286  10.43286       9.780225 
1 1 1 10  -6  18 o 115.099 2.5446  1778.06   78.152    1990.56   112.240   1578.08   108.884   121.785 3.4409  108.413 3.7497  13.37141       5.089166 
1 1 1 10  -6  19 o 95.686  2.3639  1234.05   60.330    1133.50   86.760    1328.19   83.948    91.884  3.5253  99.487  3.1503  -7.603592      4.727782 
1 1 1 10  -6  20 o 12.050  2.2814  17.169    8.1844    34.307    12.939    5.7401    10.567    15.706  3.1849  8.3946  3.2674  7.310918       4.562812 
1 1 1 10  -6  21 o 245.040 4.8044  8136.43   314.975   7740.79   447.216   8525.84   443.689   239.049 6.9846  251.031 6.5988  -11.98212      9.608742 
1 1 1 10  -6  22 o 130.860 4.0948  2312.18   143.369   2459.77   204.521   2169.57   201.032   134.990 5.6565  126.730 5.9224  8.260735       8.189646 
1 1 1 10  -6  23 o 213.787 4.1812  6175.02   239.354   6394.50   341.282   5962.55   335.779   217.543 5.8571  210.031 5.9687  7.511856       8.362466 
1 1 1 10  -6  24 o 62.137  2.0033  514.112   33.044    608.821   49.173    436.126   44.621    67.353  2.7257  56.921  2.9367  10.43222       4.006691 
1 1 1 10  -6  25 f 186.629 3.7327  4705.08   186.551   4836.50   266.743   4579.25   260.999   189.184 5.2641  184.074 5.2937  5.109207       7.465459 
1 1 1 10  -6  26 o 101.934 2.4952  1400.64   67.952    1362.44   98.922    1434.77   93.503    100.596 3.6713  103.273 3.3803  -2.677094      4.990496 
1 1 1 10  -6  27 o 139.980 3.0205  2648.01   113.161   2648.66   163.255   2647.40   156.995   139.972 4.3545  139.988 4.1870  -0.1600647E-01 6.040924 
1 1 1 10  -6  28 o 21.776  2.6943  65.620    14.811    67.122    23.727    64.661    18.959    21.910  4.1958  21.643  3.3811  0.2674255      5.388520 
1 1 1 10  -6  29 o 96.385  2.4605  1259.56   63.266    1213.98   92.729    1299.26   86.535    94.701  3.6557  98.069  3.2944  -3.367714      4.921090 
1 1 1 10  -6  30 o 53.200  2.0512  383.091   28.832    385.948   44.012    380.944   38.161    53.332  3.0944  53.068  2.6936  0.2640495      4.102472 
1 1 1 10  -6  31 o 33.618  2.9193  160.471   24.184    168.986   30.172    145.173   40.443    35.135  3.2427  32.101  4.8553  3.033775       5.838536 
1 1 1 10  -6  32 o 76.035  2.2379  782.172   45.337    832.263   68.434    742.990   60.525    78.150  3.2693  73.920  3.0569  4.230171       4.475814 
1 1 1 10  -6  33 o 30.704  2.3328  133.013   18.116    119.069   28.954    141.984   23.223    29.187  3.7933  32.220  2.7163  -3.032436      4.665535 
1 1 1 10  -6  34 o 68.750  2.2504  647.029   41.000    650.506   62.745    644.438   54.162    68.800  3.4049  68.700  2.9434  0.1000366      4.500735 
1 1 1 10  -6  35 o 33.623  2.2674  151.819   19.684    179.709   32.423    135.538   24.772    35.935  3.4094  31.311  2.9901  4.624023       4.534777 
1 1 1 10  -6  36 o 40.513  2.1830  220.152   23.031    266.418   37.468    192.054   29.199    43.778  3.2178  37.248  2.9508  6.529987       4.365956 
1 1 1 10  -6  37 o 22.212  3.0907  81.068    16.886    47.315    27.902    100.577   21.212    17.638  5.3997  26.786  3.0086  -9.147797      6.181306 
1 1 1 10  -6  38 o 16.526  3.3382  40.731    14.873    44.452    25.947    38.910    18.152    16.961  5.2096  16.092  4.1754  0.8693867      6.676394 
1 1 1 10  -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -6  40 o 17.324  3.4043  45.960    15.454    56.479    27.836    41.273    18.580    18.396  5.3367  16.252  4.2280  2.143589       6.808576 
1 1 1 10  -6  41 o 11.425  3.0705  17.087    13.690    -2.3586   25.366    25.080    16.262    10.087  4.5253  12.763  4.1512  -2.676396      6.140936 
1 1 1 10  -6  42 o 16.878  3.4149  37.922    15.736    80.955    29.972    21.546    18.489    21.687  5.2222  12.069  4.4019  9.618409       6.829892 
1 1 1 10  -6  43 o 14.556  3.6193  29.667    15.964    56.897    31.244    20.047    18.571    17.403  5.7585  11.709  4.3860  5.693623       7.238596 
1 1 1 10  -6  44 o 18.849  3.7430  64.565    18.588    70.399    34.871    62.249    21.969    18.462  6.0824  19.236  4.3641  -0.7740269     7.486055 
1 1 1 10  -6  45 o 11.112  3.3650  12.772    14.992    30.582    32.422    7.9276    16.908    12.972  5.4663  9.2519  3.9257  3.720337       6.729914 
1 1 1 10  -5  0  o 447.314 8.2707  26911.62  990.910   27118.31  1401.91   26705.26  1400.81   449.037 11.656  445.591 11.737  3.445923       16.54136 
1 1 1 10  -5  1  o 230.788 4.4507  7142.31   275.112   7054.22   388.937   7230.52   389.197   229.362 6.3310  232.214 6.2574  -2.851852      8.901445 
1 1 1 10  -5  2  o 250.258 4.6904  8399.12   314.397   8480.33   445.343   8318.43   443.909   251.465 6.6119  249.051 6.6545  2.414108       9.380856 
1 1 1 10  -5  3  o 403.174 7.4812  21846.67  807.886   21955.68  1143.30   21737.96  1141.74   404.181 10.561  402.167 10.599  2.014191       14.96241 
1 1 1 10  -5  4  o 181.748 3.5524  4427.12   172.928   4483.69   245.523   4371.42   243.603   182.900 5.0117  180.595 5.0360  2.305222       7.104857 
1 1 1 10  -5  5  o 389.581 7.0598  20391.47  736.681   20448.57  1042.74   20334.57  1040.91   390.126 9.9789  389.036 9.9893  1.090302       14.11963 
1 1 1 10  -5  6  o 150.059 3.0623  3017.97   123.045   3106.97   174.202   2929.36   173.824   152.268 4.2712  147.849 4.3893  4.418808       6.124536 
1 1 1 10  -5  7  o 581.688 10.738  45667.51  1673.01   45587.57  2366.71   45747.35  2365.26   581.174 15.204  582.203 15.168  -1.028320      21.47576 
1 1 1 10  -5  8  o 113.371 2.5319  1726.21   76.666    1586.59   108.948   1863.17   107.903   108.817 3.7380  117.925 3.4162  -9.108688      5.063847 
1 1 1 10  -5  9  o 428.534 7.9498  24716.33  912.183   23987.78  1290.35   25444.14  1289.69   422.190 11.411  434.879 11.072  -12.68906      15.89951 
1 1 1 10  -5  10 o 143.066 3.0574  2759.06   116.240   2370.71   164.871   3142.90   163.908   132.990 4.6285  153.142 3.9959  -20.15176      6.114742 
1 1 1 10  -5  11 o 102.916 2.3626  1419.00   65.120    1434.06   92.943    1404.48   91.267    103.452 3.3542  102.380 3.3282  1.072250       4.725195 
1 1 1 10  -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -5  13 o 284.702 5.4111  10904.46  412.359   10465.15  583.968   11341.36  582.363   278.955 7.8157  290.449 7.4858  -11.49341      10.82225 
1 1 1 10  -5  14 o 126.728 2.7316  2154.14   92.691    2126.93   132.241   2180.42   129.959   125.938 3.9203  127.517 3.8050  -1.578796      5.463191 
1 1 1 10  -5  15 o 110.326 2.5259  1634.93   74.523    1557.16   106.574   1709.34   104.249   107.749 3.6927  112.902 3.4473  -5.153526      5.051757 
1 1 1 10  -5  16 o 374.709 7.0502  19058.29  707.488   18720.45  1001.80   19394.42  999.279   371.345 10.072  378.073 9.8678  -6.727844      14.10034 
1 1 1 10  -5  17 o 150.080 3.0983  3024.77   124.522   3114.84   177.747   2937.95   174.499   152.276 4.3579  147.884 4.4054  4.391937       6.196677 
1 1 1 10  -5  18 o 72.539  2.0385  707.349   39.504    677.470   57.191    734.612   54.630    71.066  3.0045  74.012  2.7558  -2.945999      4.076942 
1 1 1 10  -5  19 o 106.161 2.4841  1515.17   70.530    1461.12   101.329   1565.97   98.233    104.314 3.6266  108.009 3.3955  -3.695244      4.968119 
1 1 1 10  -5  20 o 160.363 3.3361  3463.83   143.171   3345.31   204.283   3578.25   200.712   157.645 4.8380  163.082 4.5949  -5.436737      6.672269 
1 1 1 10  -5  21 o 194.501 3.9157  5108.04   203.774   4883.74   290.101   5326.50   286.296   190.243 5.6931  198.760 5.3777  -8.517059      7.831448 
1 1 1 10  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -5  23 o 56.011  2.0144  422.818   30.012    408.165   44.210    435.342   40.872    55.060  3.0092  56.962  2.6789  -1.901554      4.028831 
1 1 1 10  -5  24 o 67.023  2.0666  601.737   37.000    620.427   54.703    585.976   50.233    67.976  3.0045  66.071  2.8385  1.905067       4.133286 
1 1 1 10  -5  25 o 96.953  2.3988  1260.47   62.214    1335.21   90.745    1194.18   85.461    99.657  3.3996  94.249  3.3853  5.408371       4.797664 
1 1 1 10  -5  26 o 129.813 2.8826  2272.68   100.132   2261.34   144.643   2283.12   138.757   129.482 4.1706  130.145 3.9805  -0.6630402     5.765274 
1 1 1 10  -5  27 f 157.773 3.2674  3365.87   137.742   3706.08   198.686   3051.07   191.126   165.489 4.4824  150.057 4.7553  15.43211       6.534870 
1 1 1 10  -5  28 o 27.053  2.7114  111.882   17.102    62.141    26.263    148.503   22.535    20.976  4.7809  33.130  2.5593  -12.15482      5.422859 
1 1 1 10  -5  29 o 69.710  2.1237  649.520   39.461    727.521   59.356    587.735   52.827    73.422  3.0182  65.997  2.9884  7.424614       4.247354 
1 1 1 10  -5  30 o 89.223  2.3495  1073.27   55.982    1155.68   83.162    1004.99   75.703    92.325  3.3629  86.120  3.2818  6.204269       4.698905 
1 1 1 10  -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -5  32 o 52.270  2.1194  373.843   29.151    364.871   44.705    380.479   38.450    51.639  3.2487  52.902  2.7228  -1.262596      4.238827 
1 1 1 10  -5  33 o 48.423  2.1508  322.126   27.250    314.730   42.461    327.304   35.532    47.841  3.3344  49.005  2.7177  -1.163189      4.301642 
1 1 1 10  -5  34 o 12.246  2.8007  14.025    10.960    36.807    19.005    2.6735    13.415    15.965  4.3334  8.5271  3.5493  7.437836       5.601405 
1 1 1 10  -5  35 o 25.755  2.5571  92.430    16.566    98.036    27.476    89.228    20.764    26.211  4.0436  25.298  3.1313  0.9134750      5.114290 
1 1 1 10  -5  36 o 21.106  2.9680  68.193    15.404    54.243    25.966    75.768    19.135    18.999  5.0251  23.213  3.1597  -4.213730      5.935934 
1 1 1 10  -5  37 o 35.745  2.4128  180.850   22.053    179.262   35.834    181.819   27.979    35.369  3.8444  36.121  2.9167  -0.7523308     4.825653 
1 1 1 10  -5  38 o 19.552  3.2732  56.838    16.070    63.836    28.267    53.497    19.533    20.147  5.2023  18.957  3.9739  1.189337       6.546392 
1 1 1 10  -5  39 o 16.959  4.6288  45.062    21.614    0.0000    0.0000    45.062    21.614    ?       ?       16.959  4.6288  ?              ?        
1 1 1 10  -5  40 o 20.024  3.2887  59.593    16.400    79.372    29.359    50.622    19.773    22.023  5.0807  18.025  4.1771  3.997465       6.577312 
1 1 1 10  -5  41 o 11.803  3.2755  17.872    14.428    13.459    26.945    19.646    17.083    11.895  4.9962  11.712  4.2373  0.1822023      6.551098 
1 1 1 10  -5  42 o 23.660  3.5297  105.579   20.623    64.913    36.868    124.100   24.880    18.394  6.2572  28.926  3.2686  -10.53188      7.059471 
1 1 1 10  -5  43 o 7.5575  2.5103  -16.5797  13.689    -67.0129  27.982    -0.7142   15.695    6.9301  3.4760  8.1848  3.6225  -1.254697      5.020506 
1 1 1 10  -5  44 o 17.230  3.7163  56.802    18.224    52.664    34.994    58.342    21.347    15.936  6.0103  18.524  4.3726  -2.588470      7.432606 
1 1 1 10  -4  0  o 72.346  2.1904  659.015   40.530    570.310   49.233    845.540   71.392    65.249  2.8170  79.444  3.3550  -14.19528      4.380855 
1 1 1 10  -4  1  o 265.737 7.1086  9472.25   505.971   9472.25   505.971   0.0000    0.0000    265.737 7.1086  ?       ?       ?              ?        
1 1 1 10  -4  2  o 203.378 5.6073  5544.94   305.453   5544.94   305.453   0.0000    0.0000    203.378 5.6073  ?       ?       ?              ?        
1 1 1 10  -4  3  o 455.164 10.315  28199.90  1180.96   28735.54  1448.54   27138.16  2039.40   462.214 11.700  448.113 16.991  14.09998       20.63007 
1 1 1 10  -4  4  o 229.048 4.3778  7040.04   268.342   6733.60   380.858   7342.12   378.142   224.087 6.3454  234.008 6.0330  -9.920853      8.755617 
1 1 1 10  -4  5  f 367.066 6.8105  18102.78  669.266   18788.71  947.625   17420.13  945.349   374.025 9.4590  360.108 9.8010  13.91736       13.62106 
1 1 1 10  -4  6  o 88.449  2.1568  1050.85   50.774    1199.33   72.374    906.946   71.251    94.620  2.8557  82.279  3.2330  12.34103       4.313662 
1 1 1 10  -4  7  o 261.308 4.9583  9159.59   347.036   9152.22   491.452   9166.92   490.117   261.203 7.0245  261.414 6.9997  -0.2112427     9.916641 
1 1 1 10  -4  8  o 465.965 8.5771  29234.51  1069.97   30331.11  1514.79   28142.61  1511.54   474.729 11.913  457.200 12.343  17.52975       17.15430 
1 1 1 10  -4  9  o 228.607 4.3956  7010.15   269.108   6884.08   381.349   7135.20   379.809   226.556 6.2843  230.658 6.1476  -4.102554      8.791234 
1 1 1 10  -4  10 o 133.004 2.8752  2379.48   101.955   2128.63   144.838   2625.86   143.542   126.025 4.2908  139.983 3.8284  -13.95818      5.750406 
1 1 1 10  -4  11 o 271.422 5.1342  9890.34   373.222   10070.50  528.990   9711.78   526.649   273.888 7.2108  268.956 7.3106  4.931305       10.26843 
1 1 1 10  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -4  13 o 80.141  2.1578  870.543   45.711    721.298   65.482    1012.40   63.840    73.360  3.3325  86.922  2.7420  -13.56257      4.315619 
1 1 1 10  -4  14 o 175.793 3.5694  4155.17   167.733   3876.18   238.265   4429.28   236.170   169.918 5.2352  181.668 4.8535  -11.74998      7.138882 
1 1 1 10  -4  15 o 156.945 3.1921  3305.63   134.124   3449.93   191.212   3165.87   188.185   160.320 4.4528  153.569 4.5750  6.751511       6.384244 
1 1 1 10  -4  16 o 21.293  1.9884  64.632    10.478    44.970    15.428    81.467    14.276    18.027  3.3174  24.558  2.1933  -6.530811      3.976895 
1 1 1 10  -4  17 o 34.318  1.7490  157.846   15.925    172.415   23.542    145.555   21.624    35.778  2.4719  32.858  2.4752  2.919601       3.498063 
1 1 1 10  -4  18 o 112.076 2.5333  1684.90   76.018    1742.37   109.232   1630.93   105.859   113.928 3.5796  110.224 3.5856  3.704048       5.066561 
1 1 1 10  -4  19 o 150.397 3.1366  3040.41   126.333   3095.34   180.631   2987.82   176.757   151.725 4.4447  149.069 4.4269  2.656204       6.273189 
1 1 1 10  -4  20 o 66.424  2.0811  600.078   36.486    515.627   53.173    675.221   50.157    61.896  3.2184  70.952  2.6393  -9.055500      4.162179 
1 1 1 10  -4  21 o 120.248 2.7471  1949.35   88.203    1818.81   126.756   2071.90   122.814   116.313 4.0687  124.184 3.6923  -7.870979      5.494249 
1 1 1 10  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -4  23 o 104.796 2.5291  1478.52   70.823    1424.59   102.554   1527.68   97.925    102.952 3.7190  106.641 3.4283  -3.688736      5.058112 
1 1 1 10  -4  24 o 93.103  2.5350  1189.54   61.788    931.235   89.451    1425.24   85.449    83.191  4.0144  103.016 3.0968  -19.82515      5.070076 
1 1 1 10  -4  25 o 81.145  2.2159  883.930   48.050    897.615   70.631    872.139   65.559    81.720  3.2268  80.569  3.0379  1.151512       4.431846 
1 1 1 10  -4  26 o 130.091 2.8546  2278.35   99.372    2410.11   143.995   2158.54   137.311   133.679 4.0216  126.503 4.0524  7.175781       5.709203 
1 1 1 10  -4  27 o 107.473 2.5718  1553.38   73.918    1651.14   108.208   1467.85   101.214   110.630 3.6517  104.315 3.6225  6.314934       5.143659 
1 1 1 10  -4  28 o 57.309  2.1167  448.473   31.930    406.444   48.005    481.820   42.761    54.786  3.2865  59.831  2.6683  -5.045406      4.233332 
1 1 1 10  -4  29 o 13.204  2.5961  19.413    10.160    42.070    16.952    6.7144    12.691    17.286  3.7677  9.1228  3.5725  8.163016       5.192159 
1 1 1 10  -4  30 o 162.333 3.4988  3631.91   151.957   3584.56   219.274   3675.66   210.778   161.194 5.0787  163.472 4.8138  -2.278168      6.997556 
1 1 1 10  -4  31 o 60.916  3.8149  509.382   61.930    0.0000    0.0000    509.382   61.930    ?       ?       60.916  3.8149  ?              ?        
1 1 1 10  -4  32 o 51.123  2.1101  354.011   28.412    373.184   44.230    340.542   37.073    52.233  3.1765  50.012  2.7785  2.220810       4.220190 
1 1 1 10  -4  33 o 56.817  2.2100  446.559   32.884    413.423   50.554    470.862   43.296    54.791  3.4626  58.842  2.7471  -4.051048      4.419950 
1 1 1 10  -4  34 o 38.403  2.1983  200.338   21.971    217.978   35.294    189.176   28.075    39.683  3.3519  37.123  2.8451  2.560181       4.396570 
1 1 1 10  -4  35 o 47.818  2.2301  313.185   27.826    331.014   44.491    301.729   35.662    48.795  3.4258  46.841  2.8561  1.954090       4.460237 
1 1 1 10  -4  36 o 37.763  2.3097  195.787   22.578    215.805   36.775    183.677   28.603    39.154  3.5451  36.372  2.9617  2.782005       4.619487 
1 1 1 10  -4  37 o 23.242  3.1052  85.947    17.274    63.767    29.778    97.197    21.207    20.226  5.3967  26.258  3.0734  -6.032808      6.210480 
1 1 1 10  -4  38 o 53.405  3.7797  412.087   53.717    412.087   53.717    0.0000    0.0000    53.405  3.7797  ?       ?       ?              ?        
1 1 1 10  -4  39 o 16.314  3.1754  45.752    15.355    18.959    27.713    57.621    18.445    12.943  5.2095  19.685  3.6321  -6.742258      6.350721 
1 1 1 10  -4  40 o 18.761  3.3948  51.754    16.081    75.117    29.605    41.975    19.154    21.230  5.2385  16.292  4.3192  4.937981       6.789503 
1 1 1 10  -4  41 o 29.200  3.0989  137.292   21.526    122.268   37.007    144.975   26.464    26.941  5.3172  31.460  3.1845  -4.518852      6.197869 
1 1 1 10  -4  42 o 28.224  3.4026  134.732   22.531    117.471   39.628    142.976   27.388    25.470  5.9212  30.979  3.3542  -5.509626      6.805212 
1 1 1 10  -4  43 o 34.914  2.8363  173.617   24.577    259.020   44.729    136.682   29.416    40.216  4.2151  29.612  3.7961  10.60398       5.672580 
1 1 1 10  -4  44 o 17.544  3.8061  57.437    18.169    66.582    36.224    54.363    21.002    17.389  6.1844  17.699  4.4383  -0.3103466     7.612149 
1 1 1 10  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -3  3  o 250.336 6.1760  8771.98   381.736   9449.30   468.595   7435.63   658.205   265.445 6.5907  235.227 10.447  30.21820       12.35210 
1 1 1 10  -3  4  o 306.084 5.7443  12574.90  470.833   12264.04  665.889   12885.70  665.828   302.292 8.2241  309.875 8.0221  -7.582794      11.48863 
1 1 1 10  -3  5  o 214.188 4.1547  6152.88   238.239   5936.50   337.188   6368.58   336.655   210.422 5.9826  217.954 5.7668  -7.531754      8.309484 
1 1 1 10  -3  6  o 60.159  1.8165  484.603   29.247    512.536   41.802    457.818   40.934    61.857  2.5230  58.461  2.6141  3.395535       3.633086 
1 1 1 10  -3  7  o 241.930 4.6415  7852.55   300.630   7589.90   425.657   8113.96   424.655   237.886 6.6804  245.974 6.4455  -8.088074      9.282910 
1 1 1 10  -3  8  o 491.948 9.0723  32596.42  1195.44   32704.57  1691.56   32488.52  1689.65   492.767 12.816  491.130 12.844  1.636475       18.14468 
1 1 1 10  -3  9  o 92.014  2.2314  1134.24   54.983    1136.88   78.609    1131.71   76.934    92.118  3.1860  91.909  3.1252  0.2087326      4.462831 
1 1 1 10  -3  10 o 373.002 6.9416  18707.27  693.497   18897.08  982.008   18518.41  979.502   374.895 9.7795  371.109 9.8541  3.786377       13.88311 
1 1 1 10  -3  11 o 85.501  2.7111  994.134   58.155    1020.48   71.462    942.465   100.067   87.272  3.0571  83.729  4.4782  3.543243       5.422187 
1 1 1 10  -3  12 o 229.853 5.5189  7156.08   318.473   6940.64   553.392   7262.76   389.422   227.099 9.0976  232.607 6.2504  -5.507813      11.03787 
1 1 1 10  -3  13 o 202.665 4.0004  5519.27   216.907   5241.65   307.883   5792.85   305.634   197.586 5.8176  207.744 5.4927  -10.15767      8.000843 
1 1 1 10  -3  14 o 78.670  2.0836  829.436   43.466    993.460   62.993    680.356   60.054    86.098  2.7315  71.242  3.1472  14.85601       4.167262 
1 1 1 10  -3  15 o 183.503 4.5807  4575.50   210.525   4408.63   366.787   4657.49   257.090   180.815 7.5734  186.190 5.1551  -5.374557      9.161420 
1 1 1 10  -3  16 o 123.633 3.4439  2091.18   105.867   1951.96   185.408   2158.53   128.957   120.442 5.7473  126.824 3.7963  -6.381943      6.887876 
1 1 1 10  -3  17 o 114.823 3.2663  1806.83   93.059    1677.55   163.354   1868.95   113.229   111.641 5.4628  118.006 3.5823  -6.364609      6.532638 
1 1 1 10  -3  18 o 76.720  2.5477  782.809   48.795    815.223   86.801    767.833   59.000    77.782  4.1817  75.659  2.9114  2.123039       5.095386 
1 1 1 10  -3  19 o 102.131 2.4501  1403.00   66.883    1347.20   96.527    1454.52   92.758    100.164 3.5979  104.097 3.3268  -3.932846      4.900227 
1 1 1 10  -3  20 o 83.208  2.1628  925.612   47.918    1076.10   70.008    792.965   65.728    89.555  2.9186  76.862  3.1927  12.69303       4.325630 
1 1 1 10  -3  21 o 60.158  4.3138  489.236   69.048    489.236   69.048    0.0000    0.0000    60.158  4.3138  ?       ?       ?              ?        
1 1 1 10  -3  22 o 145.108 3.1199  2835.19   121.153   2779.78   173.961   2887.36   168.827   143.714 4.5192  146.502 4.3024  -2.788513      6.239719 
1 1 1 10  -3  23 o 131.813 3.0085  2355.22   105.390   2067.18   151.474   2625.49   146.727   123.897 4.5645  139.730 3.9204  -15.83330      6.016986 
1 1 1 10  -3  24 f 137.270 2.9654  2534.76   108.976   2611.82   157.163   2463.41   151.238   139.274 4.2130  135.266 4.1743  4.008316       5.930799 
1 1 1 10  -3  25 o 194.916 3.9019  5143.05   203.663   5274.93   291.509   5017.29   284.658   197.357 5.5146  192.474 5.5216  4.882629       7.803710 
1 1 1 10  -3  26 o 69.975  2.1280  655.058   39.732    697.216   59.422    620.972   53.432    71.993  3.0816  67.956  2.9355  4.036377       4.255954 
1 1 1 10  -3  27 o 116.291 2.7139  1823.38   84.426    1896.77   123.230   1758.46   115.899   118.480 3.8831  114.102 3.7923  4.378052       5.427709 
1 1 1 10  -3  28 o 105.986 2.5859  1518.36   73.251    1538.99   107.477   1500.48   100.100   106.626 3.7633  105.346 3.5475  1.280083       5.171761 
1 1 1 10  -3  29 o 97.829  2.4924  1297.36   65.088    1297.48   96.073    1297.26   88.490    97.784  3.6681  97.874  3.3755  -0.8965302E-01 4.984900 
1 1 1 10  -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -3  31 o 28.435  2.2705  110.444   16.604    115.533   26.650    107.215   21.228    28.895  3.5158  27.974  2.8740  0.9211292      4.541026 
1 1 1 10  -3  32 f 33.062  2.1536  146.045   18.534    172.297   29.763    129.417   23.688    35.409  3.1718  30.716  2.9141  4.692736       4.307205 
1 1 1 10  -3  33 o 21.197  2.8454  70.743    14.640    43.525    24.214    86.427    18.381    17.342  4.9618  25.051  2.7866  -7.708549      5.690754 
1 1 1 10  -3  34 o 94.528  2.5206  1226.20   63.509    1320.95   95.726    1151.69   84.880    97.689  3.6584  91.366  3.4684  6.322861       5.041236 
1 1 1 10  -3  35 o 32.329  2.4050  145.859   19.624    147.638   32.819    144.869   24.483    32.280  3.8732  32.378  2.8522  -0.9776688E-01 4.810040 
1 1 1 10  -3  36 o 13.466  3.1958  24.711    12.836    25.374    23.614    24.433    15.293    13.876  4.9870  13.056  3.9978  0.8202715      6.391615 
1 1 1 10  -3  37 o 35.100  2.4801  167.000   22.280    211.793   37.705    142.970   27.617    38.443  3.7078  31.756  3.2948  6.686533       4.960168 
1 1 1 10  -3  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -3  39 o 29.715  2.8228  128.698   20.838    144.909   36.027    120.549   25.544    30.662  4.5225  28.768  3.3794  1.893816       5.645621 
1 1 1 10  -3  40 o 48.997  2.4871  347.030   31.368    379.885   52.074    328.319   39.297    50.291  3.8963  47.703  3.0923  2.587791       4.974220 
1 1 1 10  -3  41 o 20.315  3.5772  65.572    18.347    82.274    32.853    58.003    22.117    21.646  5.6176  18.984  4.4304  2.662308       7.154447 
1 1 1 10  -3  42 o 24.390  3.5154  100.624   20.651    97.925    37.148    101.832   24.843    22.994  5.9765  25.787  3.7032  -2.792816      7.030822 
1 1 1 10  -3  43 o 11.063  3.2752  8.9141    14.817    29.531    28.300    1.1287    17.391    13.414  5.3090  8.7132  3.8369  4.700522       6.550385 
1 1 1 10  -3  44 o 22.277  6.4591  111.364   40.785    111.364   40.785    0.0000    0.0000    22.277  6.4591  ?       ?       ?              ?        
1 1 1 10  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -2  2  o 212.954 5.7575  6079.62   328.405   6079.62   328.405   0.0000    0.0000    212.954 5.7575  ?       ?       ?              ?        
1 1 1 10  -2  3  o 403.284 7.5160  21869.55  811.188   20844.42  1147.27   22894.38  1147.11   393.794 10.877  412.772 10.375  -18.97800      15.03191 
1 1 1 10  -2  4  o 265.462 5.0307  9452.64   357.677   9319.76   505.295   9586.07   506.370   263.590 7.1569  267.334 7.0717  -3.744507      10.06136 
1 1 1 10  -2  5  o 355.167 6.5945  16942.03  627.173   16471.57  886.115   17414.28  887.801   350.213 9.4464  360.121 9.2040  -9.907745      13.18900 
1 1 1 10  -2  6  o 461.502 8.5343  28658.12  1054.86   29073.40  1491.68   28242.71  1491.91   464.862 11.980  458.142 12.158  6.720428       17.06854 
1 1 1 10  -2  7  o 129.167 2.7351  2235.78   94.616    2266.47   133.471   2204.79   134.146   130.059 3.8314  128.276 3.9043  1.782944       5.470208 
1 1 1 10  -2  8  o 88.408  2.2055  1048.10   52.169    1098.80   73.520    996.669   74.040    90.565  3.0308  86.252  3.2049  4.313301       4.410995 
1 1 1 10  -2  9  o 273.143 5.1832  10012.34  379.190   9899.02   535.784   10126.06  536.730   271.592 7.3652  274.694 7.2949  -3.102264      10.36632 
1 1 1 10  -2  10 o 577.422 10.677  45094.16  1651.13   44181.03  2333.99   46008.95  2336.10   571.515 15.247  583.329 14.952  -11.81366      21.35464 
1 1 1 10  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -2  12 o 374.778 6.9368  18926.83  696.312   18728.31  984.256   19125.74  985.213   372.800 9.8570  376.757 9.7629  -3.956909      13.87353 
1 1 1 10  -2  13 o 225.802 4.3617  6849.50   263.790   6782.46   372.685   6916.80   373.425   224.693 6.1925  226.912 6.1441  -2.219757      8.723331 
1 1 1 10  -2  14 f 283.242 5.3235  10807.53  403.870   10838.38  570.880   10776.62  571.436   283.650 7.5140  282.835 7.5430  0.8157349      10.64697 
1 1 1 10  -2  15 o 219.488 4.2646  6481.91   250.716   6466.48   354.264   6497.40   354.869   219.226 6.0332  219.750 6.0291  -0.5242767     8.529295 
1 1 1 10  -2  16 o 148.911 3.0547  2978.12   121.840   2972.86   172.024   2983.42   172.592   148.780 4.3168  149.043 4.3233  -0.2633514     6.109472 
1 1 1 10  -2  17 o 80.962  2.1197  879.135   45.963    862.209   64.694    896.385   65.313    80.174  3.0126  81.749  2.9828  -1.574768      4.239440 
1 1 1 10  -2  18 o 150.047 3.1255  3026.62   125.605   3056.31   177.381   2996.76   177.885   150.789 4.3919  149.305 4.4481  1.483353       6.250930 
1 1 1 10  -2  19 o 31.992  1.7544  138.383   14.839    122.278   20.873    154.838   21.099    30.082  2.6166  33.903  2.3377  -3.820978      3.508778 
1 1 1 10  -2  20 o 164.688 3.3537  3650.43   147.938   3652.36   208.984   3648.49   209.449   164.733 4.7363  164.643 4.7495  0.8961487E-01  6.707490 
1 1 1 10  -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -2  22 o 151.760 3.1433  3099.45   127.771   3100.09   180.498   3098.80   180.895   151.777 4.4399  151.743 4.4507  0.3344727E-01  6.286638 
1 1 1 10  -2  23 o 135.864 2.9428  2483.91   107.090   2484.91   151.247   2482.90   151.649   135.893 4.1553  135.836 4.1681  0.5691528E-01  5.885516 
1 1 1 10  -2  24 o 168.152 3.4196  3815.38   154.011   3775.62   217.590   3855.30   218.019   167.269 4.8566  169.035 4.8153  -1.766586      6.839189 
1 1 1 10  -2  25 o 226.920 4.4528  7006.15   270.643   7022.58   382.644   6989.69   382.849   227.191 6.2880  226.648 6.3065  0.5430450      8.905663 
1 1 1 10  -2  26 o 94.738  2.3244  1208.65   58.976    1183.43   83.213    1234.11   83.598    93.741  3.3142  95.736  3.2601  -1.994881      4.648855 
1 1 1 10  -2  27 o 117.169 2.6664  1855.67   83.672    1883.61   118.261   1827.67   118.400   118.060 3.7398  116.277 3.8016  1.783730       5.332776 
1 1 1 10  -2  28 o 103.075 2.4844  1438.16   68.538    1503.43   97.013    1373.12   96.843    105.434 3.4353  100.716 3.5899  4.718307       4.968748 
1 1 1 10  -2  29 o 31.299  2.1691  132.195   17.681    142.537   27.905    125.259   22.853    32.278  3.2729  30.320  2.8474  1.957676       4.338114 
1 1 1 10  -2  30 f 21.016  4.0693  62.415    22.079    0.0000    0.0000    62.415    22.079    ?       ?       21.016  4.0693  ?              ?        
1 1 1 10  -2  31 o 42.587  2.2222  253.941   24.317    220.921   38.043    276.751   31.620    40.045  3.5848  45.129  2.6272  -5.084553      4.444439 
1 1 1 10  -2  32 o 17.514  2.8477  49.341    13.401    21.725    22.495    64.531    16.684    13.448  4.8629  21.579  2.9648  -8.130916      5.695438 
1 1 1 10  -2  33 o 17.786  2.9176  45.554    13.203    45.167    22.174    45.766    16.434    17.627  4.6348  17.944  3.5450  -0.3165531     5.835142 
1 1 1 10  -2  34 o 19.495  2.9360  56.347    14.203    50.007    24.391    59.599    17.470    18.419  4.8698  20.570  3.2810  -2.151482      5.871991 
1 1 1 10  -2  35 o 19.898  3.0270  64.436    15.013    38.772    26.242    76.921    18.304    16.336  5.2698  23.461  2.9801  -7.124758      6.054089 
1 1 1 10  -2  36 o 28.941  2.7217  121.945   19.335    114.959   32.657    125.715   23.991    27.920  4.5214  29.962  3.0311  -2.042297      5.443432 
1 1 1 10  -2  37 o 13.006  5.0029  20.194    24.548    20.194    24.548    0.0000    0.0000    13.006  5.0029  ?       ?       ?              ?        
1 1 1 10  -2  38 o 7.5549  2.4903  -11.3684  10.555    -5.3784   20.720    -13.4677  12.266    9.1077  4.0878  6.0021  2.8455  3.105575       4.980698 
1 1 1 10  -2  39 o 16.914  3.4772  44.476    15.596    50.773    29.245    41.974    18.437    17.403  5.5578  16.424  4.1803  0.9782181      6.954457 
1 1 1 10  -2  40 o 39.471  2.6749  229.510   26.586    247.098   45.433    220.351   32.786    39.993  4.3093  38.949  3.1701  1.043781       5.349737 
1 1 1 10  -2  41 o 14.411  3.5087  26.747    14.911    54.161    29.683    17.494    17.245    17.510  5.6001  11.313  4.2287  6.197407       7.017351 
1 1 1 10  -2  42 o 12.915  3.5532  23.119    15.903    32.015    31.648    20.113    18.394    14.098  5.6033  11.732  4.3708  2.365883       7.106422 
1 1 1 10  -2  43 o 8.3586  2.8183  -17.2915  13.739    3.2775    28.855    -23.3219  15.624    10.639  4.7952  6.0780  2.9626  4.561061       5.636621 
1 1 1 10  -1  0  o 482.721 10.998  31461.18  1338.77   31506.62  1638.65   31369.97  2321.64   483.849 12.644  481.594 17.998  2.254517       21.99551 
1 1 1 10  -1  1  o 88.556  2.8518  1114.26   60.606    1211.49   73.330    904.692   107.656   95.099  2.8788  82.012  4.9236  13.08638       5.703505 
1 1 1 10  -1  2  o 307.248 5.7580  12670.55  473.707   12289.21  669.343   13053.22  670.503   302.607 8.2581  311.890 8.0262  -9.282532      11.51592 
1 1 1 10  -1  3  o 173.193 3.4393  4020.09   159.548   4008.72   225.755   4031.44   225.515   172.948 4.8734  173.438 4.8545  -0.4899139     6.878665 
1 1 1 10  -1  4  o 331.730 6.2036  14772.49  551.213   14763.12  779.520   14781.87  779.546   331.624 8.7759  331.835 8.7706  -0.2109985     12.40726 
1 1 1 10  -1  5  o 162.188 3.2827  3525.61   142.588   3591.02   201.560   3460.08   201.740   163.695 4.5970  160.681 4.6875  3.014252       6.565465 
1 1 1 10  -1  6  o 355.214 6.6389  16945.95  631.644   16999.87  893.127   16891.99  893.433   355.781 9.3722  354.647 9.4054  1.134247       13.27780 
1 1 1 10  -1  7  o 306.574 5.6956  12614.73  467.691   12550.91  661.125   12678.67  661.704   305.797 8.0716  307.352 8.0378  -1.555359      11.39114 
1 1 1 10  -1  8  o 272.732 5.1187  9980.45   373.927   9966.19   528.548   9994.75   529.077   272.536 7.2405  272.927 7.2374  -0.3905029     10.23747 
1 1 1 10  -1  9  o 610.687 11.349  50460.23  1856.43   50717.73  2625.37   50202.71  2625.41   612.261 16.009  609.113 16.092  3.148682       22.69892 
1 1 1 10  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -1  11 o 247.927 4.7500  8253.50   315.397   8099.75   445.701   8407.72   446.378   245.608 6.7750  250.245 6.6596  -4.636581      9.500080 
1 1 1 10  -1  12 o 289.910 5.4468  11304.74  422.917   11486.31  598.040   11123.10  598.149   292.249 7.6399  287.572 7.7656  4.677643       10.89369 
1 1 1 10  -1  13 o 219.128 4.2687  6452.38   250.513   6334.11   353.971   6571.07   354.588   217.110 6.0869  221.146 5.9863  -4.036011      8.537333 
1 1 1 10  -1  14 o 142.737 2.9823  2734.33   114.012   2769.12   161.061   2699.39   161.415   143.650 4.1860  141.825 4.2491  1.824661       5.964697 
1 1 1 10  -1  15 o 46.420  1.7373  290.342   21.436    322.789   30.255    257.638   30.375    49.076  2.3016  43.763  2.6031  5.313343       3.474678 
1 1 1 10  -1  16 o 69.457  1.9717  647.474   36.640    680.438   51.701    614.212   51.934    71.237  2.7096  67.677  2.8650  3.560173       3.943344 
1 1 1 10  -1  17 f 77.162  2.1075  798.741   43.553    807.563   61.378    789.795   61.810    77.592  2.9533  76.732  3.0074  0.8605576      4.215019 
1 1 1 10  -1  18 o 58.509  1.8453  459.183   28.879    428.458   40.564    490.760   41.123    56.522  2.6794  60.497  2.5379  -3.974380      3.690525 
1 1 1 10  -1  19 o 213.865 4.1982  6171.03   240.486   6140.29   339.823   6201.87   340.375   213.329 5.9472  214.401 5.9271  -1.072418      8.396402 
1 1 1 10  -1  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -1  21 f 49.970  1.8728  335.807   24.973    329.084   35.011    342.772   35.633    49.459  2.6525  50.481  2.6446  -1.021702      3.745564 
1 1 1 10  -1  22 o 245.390 4.6655  8153.52   306.650   8136.51   433.440   8170.58   433.898   245.132 6.6015  245.647 6.5946  -0.5154266     9.331009 
1 1 1 10  -1  23 o 84.392  2.2244  956.901   50.260    985.190   70.906    928.337   71.251    85.650  3.0908  83.134  3.1998  2.516312       4.448770 
1 1 1 10  -1  24 f 166.088 3.3618  3723.66   149.553   3696.39   211.202   3751.09   211.798   165.475 4.7651  166.701 4.7435  -1.225815      6.723614 
1 1 1 10  -1  25 o 146.765 3.0785  2909.14   121.016   2917.15   170.895   2901.08   171.392   146.971 4.3412  146.559 4.3661  0.4124603      6.156966 
1 1 1 10  -1  26 o 53.520  1.9245  385.554   27.533    374.269   38.514    397.351   39.376    52.683  2.7388  54.358  2.7044  -1.675434      3.849007 
1 1 1 10  -1  27 o 60.598  1.9878  494.625   32.261    497.913   45.413    491.276   45.838    60.804  2.7884  60.392  2.8337  0.4121513      3.975560 
1 1 1 10  -1  28 o 63.693  2.0042  547.350   34.192    543.186   48.160    551.583   48.551    63.449  2.8338  63.938  2.8350  -0.4883080     4.008484 
1 1 1 10  -1  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -1  30 o 57.382  1.9828  446.819   30.405    461.020   42.848    432.415   43.152    58.351  2.7416  56.414  2.8652  1.937374       3.965549 
1 1 1 10  -1  31 o 25.489  2.0791  89.426    13.882    80.683    19.392    98.618    19.883    24.165  3.0648  26.812  2.8104  -2.646776      4.158263 
1 1 1 10  -1  32 o 25.675  2.1112  91.199    14.195    98.555    20.006    83.742    20.143    26.770  2.8331  24.579  3.1307  2.191111       4.222304 
1 1 1 10  -1  33 o 24.464  3.0269  82.805    17.032    91.884    33.417    79.619    19.796    25.021  5.1578  23.907  3.1695  1.113859       6.053806 
1 1 1 10  -1  34 o 13.668  3.0693  22.903    12.261    38.084    21.411    15.496    14.956    16.157  4.6785  11.180  3.9740  4.976678       6.138503 
1 1 1 10  -1  35 o 38.183  2.3440  202.295   23.111    211.822   37.462    196.441   29.365    38.731  3.6543  37.634  2.9364  1.097549       4.687936 
1 1 1 10  -1  36 o 15.925  3.1299  41.149    14.488    18.720    26.084    51.156    17.423    13.087  5.1225  18.762  3.5978  -5.675112      6.259777 
1 1 1 10  -1  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  -1  38 o 14.351  2.9444  33.887    14.679    -6.7549   26.918    51.088    17.512    10.199  4.6109  18.504  3.6629  -8.305190      5.888733 
1 1 1 10  -1  39 o 14.001  2.8299  32.656    14.566    -18.4461  27.849    51.899    17.089    9.3928  4.4016  18.610  3.5581  -9.216816      5.659873 
1 1 1 10  -1  40 o 14.376  3.4439  33.231    15.352    27.381    28.678    35.581    18.175    13.784  5.3779  14.968  4.3037  -1.183475      6.887900 
1 1 1 10  -1  41 o 12.519  3.3958  21.447    14.779    24.979    28.147    20.103    17.365    13.274  5.2817  11.764  4.2697  1.510422       6.791640 
1 1 1 10  -1  42 o 21.453  3.6362  84.814    19.632    71.312    36.812    90.181    23.208    18.808  6.2519  24.098  3.7149  -5.290440      7.272346 
1 1 1 10  -1  43 o 6.6612  3.3497  -65.3449  26.883    -65.3449  26.883    0.0000    0.0000    6.6612  3.3497  ?       ?       ?              ?        
1 1 1 10  0   0  o 320.830 6.0378  13816.17  518.804   14032.13  733.860   13600.41  733.541   323.342 8.4735  318.319 8.6035  5.023590       12.07557 
1 1 1 10  0   1  o 477.303 8.8099  30654.11  1126.26   30954.99  1592.68   30353.15  1592.86   479.657 12.397  474.950 12.521  4.707794       17.61980 
1 1 1 10  0   2  o 207.450 4.0426  5769.40   224.607   5669.44   317.327   5869.75   317.958   205.648 5.7609  209.252 5.6730  -3.604553      8.085247 
1 1 1 10  0   3  o 149.466 3.0501  2993.58   122.108   2982.24   172.827   3004.88   172.548   149.183 4.3252  149.748 4.3019  -0.5655823     6.100263 
1 1 1 10  0   4  o 640.791 11.807  55461.90  2026.42   55239.49  2865.77   55684.32  2865.80   639.495 16.731  642.087 16.663  -2.591614      23.61326 
1 1 1 10  0   5  o 293.265 5.4599  11539.62  428.879   11560.39  606.581   11518.85  606.471   293.529 7.7152  293.000 7.7277  0.5287781      10.91983 
1 1 1 10  0   6  o 150.253 3.0596  3025.60   123.116   3083.45   174.077   2967.71   174.146   151.691 4.2844  148.815 4.3690  2.876007       6.119176 
1 1 1 10  0   7  o 338.138 6.2714  15354.71  567.981   15485.12  803.280   15224.32  803.212   339.578 8.8316  336.698 8.9064  2.879486       12.54274 
1 1 1 10  0   8  o 299.431 5.5791  12036.97  447.388   11794.14  632.379   12280.29  633.025   296.401 7.9654  302.462 7.8138  -6.060852      11.15811 
1 1 1 10  0   9  o 374.250 9.8383  18917.56  985.799   18235.18  1390.66   19606.79  1397.62   367.417 14.131  381.084 13.692  -13.66736      19.67660 
1 1 1 10  0   10 o 206.987 4.9647  5755.04   259.013   5744.47   449.990   5760.29   316.746   206.755 8.1256  207.218 5.7068  -0.4629364     9.929450 
1 1 1 10  0   11 o 178.507 3.5877  4274.92   171.524   4337.98   242.452   4211.73   242.691   179.828 5.0336  177.187 5.1137  2.640762       7.175437 
1 1 1 10  0   12 o 102.797 2.3763  1417.10   65.396    1466.07   92.358    1367.86   92.612    104.581 3.2971  101.014 3.4229  3.566978       4.752602 
1 1 1 10  0   13 o 59.979  1.8518  482.125   29.749    479.610   41.913    484.679   42.231    59.822  2.6157  60.137  2.6218  -0.3151817     3.703503 
1 1 1 10  0   14 o 38.152  1.6849  195.914   17.124    201.665   24.149    190.098   24.284    38.721  2.3394  37.583  2.4253  1.137283       3.369734 
1 1 1 10  0   15 o 228.527 4.4306  7035.39   271.200   7063.06   383.351   7007.67   383.718   228.980 6.2504  228.074 6.2813  0.9061432      8.861280 
1 1 1 10  0   16 o 23.684  1.7584  76.075    10.964    81.889    15.598    70.398    15.415    24.599  2.3979  22.770  2.5726  1.829365       3.516822 
1 1 1 10  0   17 o 205.323 4.0257  5681.23   221.328   5843.31   312.938   5519.02   313.072   208.272 5.6097  202.375 5.7756  5.897308       8.051487 
1 1 1 10  0   18 o 72.421  2.0351  703.667   39.472    714.995   55.720    692.257   55.924    73.007  2.8494  71.835  2.9065  1.172638       4.070244 
1 1 1 10  0   19 o 155.721 3.2406  3262.15   135.158   3225.92   190.927   3298.55   191.359   154.852 4.6032  156.591 4.5624  -1.739914      6.481137 
1 1 1 10  0   20 o 68.481  2.6326  639.419   44.332    610.083   79.068    652.869   53.538    67.204  4.4171  69.757  2.8654  -2.552261      5.265162 
1 1 1 10  0   21 o 72.562  2.0038  706.812   38.923    730.995   54.915    682.396   55.178    73.812  2.7776  71.311  2.8888  2.501198       4.007545 
1 1 1 10  0   22 o 102.220 2.4083  1404.05   65.919    1441.70   93.112    1366.22   93.335    103.599 3.3555  100.842 3.4556  2.757339       4.816680 
1 1 1 10  0   23 o 177.336 3.5629  4245.36   169.232   4220.83   239.124   4269.98   239.537   176.820 5.0490  177.852 5.0283  -1.032318      7.125758 
1 1 1 10  0   24 o 135.677 2.9427  2482.32   106.931   2513.65   151.017   2450.82   151.430   136.543 4.1292  134.811 4.1937  1.731552       5.885360 
1 1 1 10  0   25 o 79.585  2.1512  852.464   45.840    875.228   64.610    829.392   65.046    80.662  2.9905  78.509  3.0932  2.152679       4.302450 
1 1 1 10  0   26 o 78.158  2.1252  822.784   44.465    785.454   62.526    860.977   63.245    76.357  3.0572  79.960  2.9530  -3.602486      4.250498 
1 1 1 10  0   27 o 90.348  2.3064  1102.65   55.812    1100.86   78.765    1104.45   79.097    90.275  3.2574  90.420  3.2659  -0.1447906     4.612713 
1 1 1 10  0   28 o 18.901  2.3556  50.001    11.441    56.752    16.160    43.215    16.202    20.263  3.0739  17.538  3.5703  2.725185       4.711225 
1 1 1 10  0   29 o 99.327  2.4091  1341.59   64.080    1371.75   90.577    1311.37   90.669    100.463 3.3661  98.192  3.4474  2.271088       4.818201 
1 1 1 10  0   30 o 23.492  2.1345  76.158    13.018    65.527    18.096    87.563    18.743    21.722  3.2065  25.261  2.8181  -3.539043      4.268931 
1 1 1 10  0   31 o 67.833  2.0857  626.008   37.893    618.445   53.370    633.697   53.810    67.418  2.9555  68.249  2.9436  -0.8306122     4.171318 
1 1 1 10  0   32 o 20.694  2.3221  60.002    12.427    56.223    17.430    63.909    17.723    19.993  3.3750  21.395  3.1902  -1.402536      4.644112 
1 1 1 10  0   33 o 23.184  2.2326  75.041    13.457    67.941    18.797    82.506    19.275    22.001  3.2909  24.367  3.0178  -2.366795      4.465110 
1 1 1 10  0   34 o 18.638  2.5615  49.883    12.320    45.133    17.256    54.821    17.595    17.668  3.7618  19.607  3.4778  -1.938496      5.123065 
1 1 1 10  0   35 o 20.536  2.5293  60.729    13.395    62.736    18.723    58.625    19.171    20.935  3.4599  20.137  3.6904  0.7976284      5.058637 
1 1 1 10  0   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  0   37 o 18.351  3.2926  55.767    16.130    38.745    28.333    63.930    19.620    15.863  5.4824  20.839  3.6481  -4.975362      6.585236 
1 1 1 10  0   38 o 28.309  3.1695  127.705   20.947    110.062   37.031    136.007   25.402    25.864  5.5140  30.755  3.1271  -4.891666      6.338979 
1 1 1 10  0   39 o 22.878  3.2607  82.747    18.188    83.219    31.997    82.522    22.106    22.252  5.4190  23.504  3.6283  -1.251974      6.521494 
1 1 1 10  0   40 o 27.711  3.1285  116.938   20.579    130.127   37.891    111.419   24.509    27.992  5.2465  27.429  3.4095  0.5625782      6.257027 
1 1 1 10  0   41 o 12.027  3.3156  20.107    15.610    1.4734    30.638    26.640    18.142    11.074  4.9706  12.979  4.3894  -1.904774      6.631296 
1 1 1 10  0   42 o 11.919  3.4645  16.312    15.765    31.092    31.389    11.325    18.232    13.662  5.5284  10.175  4.1769  3.487010       6.928966 
1 1 1 10  1   0  o 104.817 2.2938  1471.81   64.398    1463.92   90.961    1479.74   91.185    104.535 3.2487  105.098 3.2392  -0.5634842     4.587610 
1 1 1 10  1   1  o 41.195  1.5998  228.113   17.574    234.604   24.717    221.477   24.993    41.792  2.2160  40.597  2.3080  1.194893       3.199564 
1 1 1 10  1   2  o 83.949  2.1112  944.510   47.445    978.106   66.969    910.655   67.227    85.449  2.9260  82.449  3.0442  2.999840       4.222380 
1 1 1 10  1   3  o 353.495 6.6157  16779.38  626.398   16743.98  885.979   16814.75  885.742   353.121 9.3672  353.869 9.3449  -0.7477417     13.23150 
1 1 1 10  1   4  o 413.599 7.6548  22992.89  848.001   23102.84  1199.50   22883.03  1199.01   414.591 10.802  412.608 10.849  1.983551       15.30950 
1 1 1 10  1   5  f 192.609 3.7805  4974.08   194.966   4821.97   275.707   5126.23   275.741   189.661 5.4273  195.558 5.2642  -5.897507      7.560917 
1 1 1 10  1   6  o 587.247 10.773  46551.91  1694.50   45991.26  2395.98   47112.93  2396.78   583.682 15.326  590.811 15.146  -7.129517      21.54687 
1 1 1 10  1   7  o 203.199 3.9786  5536.18   216.542   5537.58   306.215   5534.77   306.258   203.224 5.6255  203.173 5.6277  0.5168152E-01  7.957242 
1 1 1 10  1   8  o 263.013 9.9571  9302.65   701.457   9302.65   701.457   0.0000    0.0000    263.013 9.9571  ?       ?       ?              ?        
1 1 1 10  1   9  o 168.770 4.2056  3838.36   178.486   3771.22   310.280   3871.57   218.202   167.611 6.9114  169.930 4.7940  -2.318878      8.411273 
1 1 1 10  1   10 o 267.064 5.0212  9582.50   359.108   9350.17   507.567   9815.37   508.144   263.813 7.1830  270.315 7.0182  -6.502380      10.04247 
1 1 1 10  1   11 o 52.720  1.7880  372.467   25.242    381.487   35.692    363.442   35.704    53.359  2.4974  52.081  2.5595  1.277931       3.575974 
1 1 1 10  1   12 o 135.922 2.8417  2478.31   103.435   2416.16   146.070   2540.82   146.489   134.210 4.0634  137.633 3.9737  -3.423569      5.683412 
1 1 1 10  1   13 o 233.019 4.5252  7308.50   282.354   7098.54   398.945   7519.24   399.675   229.650 6.4857  236.388 6.3124  -6.738403      9.050448 
1 1 1 10  1   14 o 166.304 3.3770  3716.52   150.370   3593.45   212.322   3840.38   212.991   163.533 4.8473  169.075 4.7032  -5.541718      6.753973 
1 1 1 10  1   15 o 100.550 2.3483  1356.40   63.243    1353.54   89.229    1359.30   89.652    100.443 3.3166  100.656 3.3253  -0.2128448     4.696532 
1 1 1 10  1   16 o 43.649  1.7529  256.271   20.408    257.794   28.727    254.720   28.997    43.781  2.4597  43.516  2.4982  0.2654991      3.505884 
1 1 1 10  1   17 o 170.071 3.4026  3890.90   154.997   3859.93   218.919   3922.03   219.479   169.390 4.8251  170.751 4.7989  -1.361374      6.805219 
1 1 1 10  1   18 o 94.107  2.3109  1188.75   58.244    1202.24   82.186    1175.13   82.553    94.645  3.2420  93.568  3.2939  1.076523       4.621734 
1 1 1 10  1   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  1   20 o 53.833  1.8989  389.218   27.329    378.966   38.463    399.670   38.837    53.081  2.7144  54.585  2.6563  -1.503628      3.797864 
1 1 1 10  1   21 o 185.558 3.7244  4643.43   185.094   4698.45   261.598   4588.27   261.928   186.667 5.2321  184.449 5.3017  2.218536       7.448706 
1 1 1 10  1   22 o 183.008 3.6528  4519.95   179.050   4490.14   252.997   4549.87   253.434   182.400 5.1785  183.615 5.1531  -1.216003      7.305528 
1 1 1 10  1   23 o 58.803  1.9291  464.492   30.336    431.395   42.642    498.406   43.165    56.677  2.8089  60.929  2.6449  -4.252731      3.858217 
1 1 1 10  1   24 o 107.075 2.5328  1544.52   72.626    1575.78   102.546   1513.06   102.872   108.170 3.5394  105.981 3.6240  2.188805       5.065584 
1 1 1 10  1   25 o 103.107 2.4603  1433.71   67.935    1458.52   95.859    1408.68   96.291    104.011 3.4408  102.203 3.5175  1.808098       4.920575 
1 1 1 10  1   26 o 50.317  1.9261  342.096   25.843    353.815   36.361    330.132   36.738    51.201  2.6605  49.434  2.7860  1.766918       3.852288 
1 1 1 10  1   27 o 68.525  2.0545  633.783   37.709    627.259   53.111    640.414   53.548    68.169  2.9088  68.882  2.9024  -0.7122955     4.109088 
1 1 1 10  1   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  1   29 o 9.4206  2.3358  8.2581    8.1394    18.634    11.486    -2.2082   11.536    11.612  3.4448  7.2293  3.1556  4.382583       4.671690 
1 1 1 10  1   30 o 43.167  1.9274  253.650   22.150    239.926   31.111    267.758   31.544    41.964  2.7837  44.371  2.6665  -2.407135      3.854765 
1 1 1 10  1   31 o 14.041  2.6614  28.077    10.234    25.860    14.534    30.257    14.412    13.521  3.8358  14.562  3.6903  -1.040552      5.322739 
1 1 1 10  1   32 o 36.661  1.9783  184.295   19.274    186.803   27.052    181.709   27.466    36.929  2.7548  36.394  2.8401  0.5349884      3.956653 
1 1 1 10  1   33 o 31.372  2.0764  135.996   17.232    129.533   24.124    142.730   24.625    30.590  2.9822  32.154  2.8901  -1.564005      4.152818 
1 1 1 10  1   34 o 20.845  2.5045  63.049    13.226    45.928    18.643    80.397    18.766    17.717  4.0208  23.973  2.9873  -6.256306      5.009025 
1 1 1 10  1   35 o 40.312  2.0731  227.217   22.129    246.661   30.996    207.003   31.604    42.174  2.7591  38.449  3.0949  3.724613       4.146270 
1 1 1 10  1   36 o 14.433  2.7357  30.667    11.919    12.292    17.044    48.256    16.675    10.722  4.1562  18.144  3.5583  -7.421830      5.471370 
1 1 1 10  1   37 o 36.876  2.1928  194.143   21.411    205.019   30.064    182.949   30.501    38.019  2.9760  35.733  3.2214  2.285614       4.385640 
1 1 1 10  1   38 o 25.763  2.4152  97.268    16.254    96.128    22.827    98.440    23.150    25.610  3.4127  25.916  3.4184  -0.3061085     4.830317 
1 1 1 10  1   39 o 11.912  2.6393  16.478    11.335    -3.8652   15.653    38.909    16.436    7.9531  3.5624  15.872  3.8953  -7.918560      5.278666 
1 1 1 10  1   40 o 11.599  3.3572  10.841    14.924    28.719    29.093    4.4567    17.386    13.877  5.4159  9.3223  3.9689  4.554232       6.714484 
1 1 1 10  1   41 o 11.673  3.3795  9.9463    15.001    36.428    30.134    1.2209    17.297    14.564  5.5569  8.7820  3.8478  5.781567       6.759095 
1 1 1 10  2   0  o 265.638 5.0357  9464.93   358.265   9602.90   506.394   9326.66   506.932   267.580 7.0656  263.697 7.1772  3.882874       10.07146 
1 1 1 10  2   1  o 720.082 13.315  70173.24  2568.07   70265.05  3631.36   70081.39  3632.23   720.559 18.815  719.605 18.845  0.9540405      26.62970 
1 1 1 10  2   2  o 346.522 6.4114  16121.16  595.069   16047.92  841.309   16194.48  841.799   345.733 9.0850  347.312 9.0490  -1.578461      12.82271 
1 1 1 10  2   3  o 191.089 3.7511  4894.53   191.992   4875.28   271.580   4913.76   271.455   190.713 5.3165  191.465 5.2932  -0.7519531     7.502234 
1 1 1 10  2   4  f 549.661 10.081  40727.82  1484.12   40146.64  2098.62   41309.28  2099.09   545.713 14.358  553.610 14.156  -7.896179      20.16259 
1 1 1 10  2   5  o 351.684 6.5971  16613.52  621.397   16414.95  878.791   16812.09  878.787   349.576 9.3854  353.792 9.2736  -4.216003      13.19414 
1 1 1 10  2   6  o 213.499 4.1570  6112.30   237.720   6091.13   336.259   6133.45   336.113   213.129 5.8904  213.869 5.8674  -0.7400665     8.314047 
1 1 1 10  2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  2   8  o 177.480 3.5555  4223.88   169.008   4288.92   239.065   4158.89   238.963   178.848 4.9905  176.113 5.0658  2.735199       7.111095 
1 1 1 10  2   9  o 148.231 3.0585  2945.99   121.430   2973.84   171.688   2918.11   171.768   148.933 4.3039  147.529 4.3469  1.403839       6.117071 
1 1 1 10  2   10 o 106.062 2.3967  1508.21   68.054    1450.63   96.107    1566.12   96.380    104.030 3.4491  108.095 3.3288  -4.065140      4.793485 
1 1 1 10  2   11 f 111.754 2.4962  1674.57   74.714    1647.07   105.533   1702.20   105.790   110.834 3.5549  112.675 3.5053  -1.841476      4.992447 
1 1 1 10  2   12 o 205.869 4.0461  5697.37   223.095   5626.47   315.308   5768.45   315.701   204.583 5.7541  207.156 5.6897  -2.573914      8.092110 
1 1 1 10  2   13 o 125.775 2.7162  2122.82   91.503    2108.32   129.257   2137.38   129.553   125.344 3.8500  126.206 3.8325  -0.8621674     5.432328 
1 1 1 10  2   14 o 285.255 5.4838  10998.93  418.980   10901.01  592.248   11097.04  592.805   283.973 7.7864  286.536 7.7240  -2.563141      10.96763 
1 1 1 10  2   15 o 274.308 5.1944  10169.93  381.644   10142.42  539.479   10197.50  539.973   273.934 7.3526  274.681 7.3393  -0.7474060     10.38872 
1 1 1 10  2   16 o 203.201 4.0055  5565.77   217.824   5829.20   308.072   5302.42   308.029   208.040 5.5286  198.361 5.7976  9.678467       8.011077 
1 1 1 10  2   17 o 121.014 2.6691  1966.84   86.505    1927.58   122.089   2006.41   122.586   119.799 3.8048  122.230 3.7443  -2.430527      5.338223 
1 1 1 10  2   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  2   19 o 158.998 3.3049  3401.75   140.745   3391.04   198.711   3412.54   199.378   158.747 4.6734  159.249 4.6742  -0.5024414     6.609745 
1 1 1 10  2   20 o 36.091  1.8664  175.737   17.909    179.788   25.163    171.580   25.494    36.519  2.5893  35.662  2.6887  0.8570709      3.732781 
1 1 1 10  2   21 o 47.164  1.8581  299.786   23.344    316.307   32.848    282.929   33.180    48.491  2.5379  45.838  2.7146  2.652950       3.716199 
1 1 1 10  2   22 o 68.500  1.9786  630.185   36.292    644.441   51.148    615.730   51.502    69.283  2.7562  67.717  2.8395  1.566032       3.957197 
1 1 1 10  2   23 o 82.527  2.1945  915.793   48.502    926.241   68.366    905.206   68.821    83.004  3.0751  82.050  3.1315  0.9537735      4.388907 
1 1 1 10  2   24 o 51.505  1.9522  357.926   26.811    369.095   37.632    346.412   38.208    52.332  2.6939  50.677  2.8261  1.654408       3.904326 
1 1 1 10  2   25 o 110.844 2.5922  1659.85   76.962    1650.58   108.564   1669.22   109.119   110.533 3.6669  111.156 3.6651  -0.6225815     5.184498 
1 1 1 10  2   26 o 56.268  1.9289  426.643   29.070    424.630   40.939    428.690   41.287    56.135  2.7228  56.401  2.7329  -0.2664185     3.857809 
1 1 1 10  2   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  2   28 o 23.615  2.0931  76.891    12.873    68.383    18.168    85.469    18.243    22.243  3.1366  24.987  2.7725  -2.744583      4.186254 
1 1 1 10  2   29 o 52.121  1.9730  369.309   27.439    373.596   38.633    364.945   38.978    52.435  2.7605  51.806  2.8196  0.6284561      3.945920 
1 1 1 10  2   30 o 19.979  2.3063  55.825    11.873    49.318    16.581    62.674    17.011    18.715  3.4343  21.243  3.0793  -2.528713      4.612675 
1 1 1 10  2   31 o 37.644  1.9508  194.094   19.479    210.088   27.581    178.179   27.514    39.235  2.6399  36.054  2.8729  3.180431       3.901609 
1 1 1 10  2   32 o 22.210  2.3213  69.486    13.295    78.269    18.768    60.638    18.837    23.726  3.0219  20.695  3.5246  3.030901       4.642689 
1 1 1 10  2   33 o 19.754  2.5282  55.796    12.870    51.109    18.059    60.634    18.347    18.847  3.7095  20.660  3.4361  -1.813782      5.056418 
1 1 1 10  2   34 o 71.418  2.2295  708.616   42.643    716.759   60.070    700.343   60.547    71.857  3.1210  70.978  3.1848  0.8791885      4.459078 
1 1 1 10  2   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  2   36 o 23.946  2.4607  83.057    15.286    76.103    21.100    90.738    22.176    22.832  3.5670  25.061  3.3908  -2.228422      4.921483 
1 1 1 10  2   37 o 32.809  2.2550  155.008   19.515    162.991   27.264    146.622   27.944    33.780  3.0461  31.839  3.3259  1.940931       4.510015 
1 1 1 10  2   38 o 17.623  2.9288  48.289    13.610    51.896    19.085    44.557    19.413    18.387  3.9898  16.860  4.2887  1.527494       5.857587 
1 1 1 10  2   39 o 10.174  2.7990  10.472    11.502    19.169    15.947    1.0412    16.606    11.585  4.1051  8.7631  3.8060  2.821715       5.597985 
1 1 1 10  2   40 o 12.459  3.0363  23.827    12.358    20.534    17.630    27.007    17.327    11.839  4.3014  13.079  4.2865  -1.239423      6.072553 
1 1 1 10  2   41 o 18.108  2.9697  54.663    14.546    36.249    20.380    73.784    20.768    14.528  4.6397  21.689  3.7082  -7.161294      5.939455 
1 1 1 10  3   0  o 642.840 11.863  55806.42  2042.57   56011.92  2888.30   55600.82  2888.96   644.034 16.743  641.646 16.810  2.388733       23.72560 
1 1 1 10  3   1  o 547.834 10.135  40443.63  1487.16   40541.64  2102.63   40345.51  2103.70   548.503 14.312  547.165 14.354  1.338379       20.26990 
1 1 1 10  3   2  o 246.523 4.7700  8150.88   314.956   8234.74   445.213   8066.86   445.616   247.794 6.7079  245.252 6.7836  2.542740       9.540083 
1 1 1 10  3   3  o 223.454 4.3057  6695.13   257.699   6735.34   364.542   6654.97   364.342   224.125 6.0725  222.783 6.1057  1.342743       8.611353 
1 1 1 10  3   4  o 632.373 11.661  54058.63  1975.00   53302.70  2792.67   54815.01  2793.47   627.910 16.605  636.836 16.377  -8.926819      23.32203 
1 1 1 10  3   5  o 130.367 2.8268  2277.44   98.708    2292.17   139.790   2262.80   139.398   130.787 3.9905  129.946 4.0050  0.8410950      5.653667 
1 1 1 10  3   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  3   7  o 296.864 5.6115  11842.58  445.959   11390.17  630.409   12295.77  630.953   291.170 8.0833  302.558 7.7857  -11.38837      11.22305 
1 1 1 10  3   8  o 249.185 4.7481  8338.13   316.908   8337.35   448.199   8338.92   448.152   249.173 6.7155  249.197 6.7142  -0.2362061E-01 9.496258 
1 1 1 10  3   9  o 237.898 4.5578  7602.67   290.424   7646.18   410.739   7559.18   410.703   238.580 6.4275  237.215 6.4639  1.365280       9.115658 
1 1 1 10  3   10 o 120.373 2.6379  1943.20   85.038    1981.77   120.249   1904.61   120.275   121.570 3.6929  119.177 3.7679  2.393105       5.275814 
1 1 1 10  3   11 o 151.692 3.1324  3088.46   127.268   3053.65   179.826   3123.39   180.141   150.834 4.4511  152.550 4.4087  -1.715881      6.264878 
1 1 1 10  3   12 o 211.949 4.1352  6043.39   234.740   5952.59   331.731   6134.46   332.213   210.348 5.8879  213.550 5.8080  -3.202301      8.270434 
1 1 1 10  3   13 o 134.913 2.9058  2444.39   104.970   2515.90   148.375   2372.73   148.524   136.894 4.0466  132.932 4.1714  3.962326       5.811641 
1 1 1 10  3   14 f 158.314 3.2222  3368.46   136.616   3429.48   193.111   3307.33   193.298   159.755 4.5130  156.873 4.6003  2.881058       6.444392 
1 1 1 10  3   15 o 97.331  2.3030  1271.11   60.039    1262.65   84.760    1279.62   85.057    97.005  3.2622  97.656  3.2518  -0.6505890     4.606064 
1 1 1 10  3   16 o 45.970  1.7871  284.243   21.917    287.228   30.904    281.223   31.088    46.215  2.5059  45.725  2.5485  0.4904213      3.574147 
1 1 1 10  3   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  3   18 o 47.410  1.8874  302.409   23.870    298.968   33.641    305.896   33.874    47.137  2.6756  47.682  2.6629  -0.5457878     3.774878 
1 1 1 10  3   19 o 208.862 4.1935  5889.64   234.553   6017.75   331.560   5761.29   331.856   211.155 5.8623  206.570 5.9978  4.585785       8.386957 
1 1 1 10  3   20 o 146.246 3.0989  2878.40   121.387   2877.07   171.379   2879.75   171.956   146.213 4.3761  146.279 4.3888  -0.6599426E-01 6.197711 
1 1 1 10  3   21 o 56.237  1.9015  425.834   28.513    459.387   40.237    391.990   40.411    58.510  2.5675  53.965  2.8055  4.545021       3.802975 
1 1 1 10  3   22 o 92.996  2.2768  1162.84   56.708    1173.70   79.910    1151.81   80.486    93.436  3.1930  92.555  3.2466  0.8813629      4.553662 
1 1 1 10  3   23 o 75.194  2.1388  760.429   43.075    748.927   60.624    772.155   61.214    74.619  3.0332  75.769  3.0163  -1.150131      4.277663 
1 1 1 10  3   24 o 52.560  1.9274  372.503   27.032    358.387   37.911    387.103   38.554    51.541  2.7561  53.580  2.6951  -2.039112      3.854810 
1 1 1 10  3   25 o 134.873 2.9781  2469.21   107.584   2455.42   151.775   2483.12   152.521   134.494 4.2131  135.252 4.2101  -0.7578735     5.956165 
1 1 1 10  3   26 o 43.649  3.5374  259.902   41.001    259.902   41.001    0.0000    0.0000    43.649  3.5374  ?       ?       ?              ?        
1 1 1 10  3   27 o 9.7753  2.3600  10.413    8.1306    19.222    11.254    0.7967    11.759    11.766  3.3876  7.7843  3.2867  3.981995       4.720013 
1 1 1 10  3   28 o 50.744  1.9594  349.652   26.528    344.846   37.261    354.592   37.777    50.389  2.7714  51.098  2.7705  -0.7094193     3.918711 
1 1 1 10  3   29 f 35.522  1.9613  172.087   18.509    167.620   25.862    176.777   26.500    35.046  2.7779  35.998  2.7696  -0.9518776     3.922693 
1 1 1 10  3   30 o 23.536  2.1726  76.712    13.365    74.284    18.670    79.265    19.140    23.144  3.0889  23.928  3.0562  -0.7837086     4.345280 
1 1 1 10  3   31 o 39.373  1.9885  212.453   20.827    213.518   29.166    211.345   29.749    39.486  2.7754  39.260  2.8484  0.2254791      3.976923 
1 1 1 10  3   32 o 35.892  2.0268  177.512   19.313    170.497   27.124    184.726   27.505    35.154  2.9067  36.630  2.8253  -1.475330      4.053558 
1 1 1 10  3   33 o 54.015  2.0776  403.435   29.937    409.444   42.099    397.288   42.580    54.446  2.8972  53.584  2.9785  0.8627129      4.155165 
1 1 1 10  3   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  3   35 o 18.933  2.6678  54.169    13.047    35.064    18.490    73.115    18.413    15.232  4.3283  22.634  3.1200  -7.402099      5.335604 
1 1 1 10  3   36 o 26.734  2.3746  103.770   16.519    113.807   23.171    93.398    23.555    28.201  3.1198  25.267  3.5807  2.934074       4.749189 
1 1 1 10  3   37 o 37.333  2.1825  199.508   21.606    188.199   30.189    211.383   30.936    36.197  3.1450  38.468  3.0269  -2.271126      4.364955 
1 1 1 10  3   38 o 20.918  2.7862  67.007    14.988    72.208    20.697    61.272    21.734    21.973  3.6443  19.863  4.2156  2.110071       5.572438 
1 1 1 10  3   39 o 20.201  2.9848  64.291    15.629    62.247    21.925    66.402    22.285    19.844  4.2528  20.558  4.1892  -0.7144241     5.969564 
1 1 1 10  3   40 o 18.733  2.9601  58.365    14.875    78.440    20.742    37.108    21.345    22.655  3.5335  14.811  4.7501  7.844123       5.920180 
1 1 1 10  4   0  o 434.092 8.0742  25344.01  938.460   26124.40  1327.26   24563.79  1327.11   440.803 11.241  427.382 11.593  13.42191       16.14840 
1 1 1 10  4   1  f 637.341 11.762  54887.26  2007.47   56066.83  2839.36   53708.31  2838.62   644.249 16.454  630.434 16.810  13.81439       23.52305 
1 1 1 10  4   2  o 417.982 7.6940  23491.88  861.302   23861.57  1218.01   23122.11  1218.12   421.285 10.794  414.680 10.967  6.605133       15.38791 
1 1 1 10  4   3  f 101.010 2.3767  1366.99   64.304    1363.64   90.906    1370.35   90.972    100.887 3.3641  101.134 3.3583  -0.2479019     4.753466 
1 1 1 10  4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  4   5  o 182.301 3.5732  4456.35   174.443   4358.59   246.773   4554.00   246.625   180.300 5.1099  184.302 4.9959  -4.002014      7.146361 
1 1 1 10  4   6  o 354.887 6.6428  16943.51  631.428   16853.34  893.091   17033.63  892.858   353.938 9.4206  355.836 9.3679  -1.897156      13.28556 
1 1 1 10  4   7  o 257.912 4.8919  8935.06   337.925   8851.85   477.988   9018.21   477.809   256.708 6.9517  259.117 6.8845  -2.408539      9.783728 
1 1 1 10  4   8  o 245.630 4.6558  8106.92   306.294   8205.62   433.306   8008.36   433.024   247.129 6.5461  244.131 6.6222  2.997726       9.311511 
1 1 1 10  4   9  o 112.097 2.4861  1684.95   74.636    1653.34   105.570   1716.53   105.531   111.045 3.5494  113.149 3.4821  -2.104439      4.972250 
1 1 1 10  4   10 o 190.099 3.7459  4854.90   190.732   4882.37   269.734   4827.42   269.737   190.639 5.2825  189.559 5.3126  1.079315       7.491853 
1 1 1 10  4   11 o 25.669  1.7052  89.089    11.586    90.181    16.412    88.004    16.358    25.829  2.3997  25.510  2.4231  0.3188438      3.410323 
1 1 1 10  4   12 o 81.675  2.0894  894.539   45.708    899.083   64.600    889.984   64.681    81.883  2.9454  81.467  2.9642  0.4160919      4.178767 
1 1 1 10  4   13 o 311.545 5.9060  13148.41  492.655   12732.04  696.163   13566.12  697.278   306.550 8.4785  316.540 8.2241  -9.989655      11.81192 
1 1 1 10  4   14 o 119.371 2.6091  1913.13   83.398    1854.59   117.702   1972.15   118.184   117.534 3.7388  121.209 3.6403  -3.675354      5.218285 
1 1 1 10  4   15 o 184.811 3.6877  4597.88   182.516   4495.92   257.806   4700.34   258.428   182.747 5.2669  186.874 5.1630  -4.127151      7.375390 
1 1 1 10  4   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  4   17 o 66.405  1.9953  591.521   35.490    588.688   50.110    594.372   50.270    66.246  2.8241  66.565  2.8195  -0.3191910     3.990631 
1 1 1 10  4   18 o 44.563  1.8460  267.275   21.936    263.448   31.009    271.109   31.037    44.241  2.6286  44.885  2.5926  -0.6438675     3.692066 
1 1 1 10  4   19 o 14.260  2.5036  28.380    9.5999    22.899    13.508    33.975    13.646    12.912  3.7094  15.608  3.3634  -2.695644      5.007200 
1 1 1 10  4   20 o 72.019  2.0425  696.284   39.400    694.480   55.520    698.115   55.921    71.926  2.8819  72.113  2.8952  -0.1871948     4.085011 
1 1 1 10  4   21 o 121.412 2.7026  1984.39   87.889    1982.40   124.056   1986.40   124.532   121.352 3.8166  121.472 3.8275  -0.1205750     5.405232 
1 1 1 10  4   22 f 106.762 2.5019  1534.98   71.544    1536.21   100.891   1533.74   101.469   106.807 3.5266  106.717 3.5499  0.8979797E-01  5.003860 
1 1 1 10  4   23 o 86.050  2.2401  997.112   51.614    963.991   72.582    1030.99   73.412    84.599  3.2031  87.501  3.1323  -2.901573      4.480102 
1 1 1 10  4   24 o 56.541  1.9421  430.764   29.351    412.946   41.072    449.359   41.959    55.308  2.7814  57.774  2.7114  -2.466251      3.884289 
1 1 1 10  4   25 o 101.424 2.4710  1392.84   67.126    1385.95   94.383    1399.89   95.486    101.174 3.4829  101.674 3.5062  -0.5000076     4.942048 
1 1 1 10  4   26 o 25.332  2.0376  87.836    13.577    89.753    19.260    85.942    19.143    25.616  2.8557  25.049  2.9072  0.5661354      4.075106 
1 1 1 10  4   27 o 74.777  2.1637  758.381   43.323    733.030   60.950    784.270   61.592    73.503  3.0958  76.052  3.0236  -2.548248      4.327392 
1 1 1 10  4   28 f 32.188  1.9694  141.505   16.806    143.212   23.549    139.734   23.991    32.397  2.7394  31.979  2.8301  0.4186134      3.938786 
1 1 1 10  4   29 o 35.533  1.9738  172.483   18.633    169.408   26.201    175.629   26.503    35.208  2.8015  35.857  2.7812  -0.6494751     3.947643 
1 1 1 10  4   30 o 15.878  2.6729  36.142    11.206    37.075    15.833    35.206    15.862    16.089  3.7443  15.667  3.8154  0.4216270      5.345758 
1 1 1 10  4   31 o 8.0252  2.3045  0.4415    8.4050    -9.1453   11.680    10.738    12.104    6.3366  2.9288  9.7139  3.5588  -3.377252      4.608987 
1 1 1 10  4   32 o 12.714  2.7091  22.157    10.506    12.268    14.719    32.431    15.002    10.478  3.9086  14.950  3.7523  -4.472500      5.418208 
1 1 1 10  4   33 o 51.411  2.7567  364.377   34.060    348.742   40.067    405.112   64.671    50.093  3.0000  52.728  4.6259  -2.635086      5.513481 
1 1 1 10  4   34 o 12.097  2.7425  19.616    10.730    8.9128    15.067    30.630    15.284    9.8178  3.8776  14.376  3.8795  -4.557837      5.485056 
1 1 1 10  4   35 o 28.471  2.2297  115.978   16.616    103.500   23.490    128.474   23.507    26.812  3.3435  30.130  2.9507  -3.317167      4.459347 
1 1 1 10  4   36 o 35.672  2.1815  181.932   20.604    188.962   28.802    174.564   29.486    36.459  2.9754  34.884  3.1910  1.574516       4.362933 
1 1 1 10  4   37 o 11.545  2.8716  17.096    11.771    28.322    16.602    5.7463    16.692    13.606  4.1651  9.4843  3.9544  4.121712       5.743273 
1 1 1 10  4   38 o 14.686  3.1183  33.672    13.697    44.922    19.623    22.983    19.128    16.832  4.3282  12.540  4.4904  4.291968       6.236691 
1 1 1 10  4   39 o 27.240  2.5481  112.361   18.105    113.566   25.044    111.042   26.203    27.499  3.4779  26.982  3.7251  0.5165501      5.096279 
1 1 1 10  5   0  o 216.821 5.9340  6310.35   344.602   6238.83   484.821   6383.39   489.901   215.579 8.3963  218.062 8.3876  -2.483734      11.86800 
1 1 1 10  5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  5   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  5   3  o 183.173 3.6892  4499.88   180.910   4332.55   255.671   4667.68   256.021   179.757 5.3101  186.588 5.1227  -6.830444      7.378341 
1 1 1 10  5   4  f 344.005 6.4724  15913.89  596.209   15483.66  843.008   16344.44  843.324   339.334 9.2750  348.676 9.0299  -9.341431      12.94472 
1 1 1 10  5   5  o 275.788 5.2374  10217.89  386.844   10054.21  547.161   10381.48  546.998   273.573 7.4671  278.003 7.3459  -4.430725      10.47476 
1 1 1 10  5   6  o 130.084 2.8035  2268.77   97.677    2240.77   138.287   2296.65   137.985   129.282 3.9935  130.886 3.9359  -1.604034      5.607093 
1 1 1 10  5   7  o 186.333 3.7121  4660.13   185.264   4703.04   262.250   4617.38   261.756   187.191 5.2305  185.476 5.2689  1.715698       7.424240 
1 1 1 10  5   8  o 110.233 2.4548  1629.32   72.476    1613.21   102.618   1645.35   102.376   109.688 3.4928  110.777 3.4503  -1.088791      4.909609 
1 1 1 10  5   9  o 89.584  2.2045  1076.01   52.894    1065.86   74.901    1086.11   74.707    89.161  3.1363  90.006  3.0989  -0.8443375     4.409014 
1 1 1 10  5   10 o 110.026 2.5111  1624.10   73.988    1662.08   104.713   1586.22   104.558   111.313 3.5121  108.739 3.5899  2.573700       5.022166 
1 1 1 10  5   11 o 167.088 3.3915  3751.69   151.778   3790.38   214.650   3713.00   214.643   167.952 4.7715  166.224 4.8210  1.728973       6.782995 
1 1 1 10  5   12 o 87.376  2.1717  1024.01   50.826    1018.86   71.863    1029.16   71.895    87.156  3.0784  87.596  3.0643  -0.4400558     4.343498 
1 1 1 10  5   13 o 63.487  1.9277  540.490   32.780    542.903   46.341    538.073   46.374    63.629  2.7191  63.345  2.7332  0.2840805      3.855392 
1 1 1 10  5   14 o 193.175 3.8327  5024.73   198.302   4964.34   280.188   5085.33   280.694   192.006 5.4481  194.343 5.3923  -2.336487      7.665442 
1 1 1 10  5   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  5   16 o 41.418  1.9158  231.365   21.106    242.921   29.654    219.502   30.046    42.480  2.6190  40.357  2.7968  2.123207       3.831672 
1 1 1 10  5   17 o 39.304  1.8596  208.232   19.443    196.897   27.447    219.650   27.547    38.219  2.6985  40.389  2.5596  -2.170322      3.719297 
1 1 1 10  5   18 o 15.214  2.4075  32.865    9.6835    42.308    13.479    22.794    13.920    17.513  2.9803  12.916  3.7818  4.597463       4.814972 
1 1 1 10  5   19 o 156.037 3.2170  3279.52   134.431   3207.37   189.755   3352.23   190.476   154.306 4.5911  157.768 4.5074  -3.462753      6.433953 
1 1 1 10  5   20 o 103.128 2.4244  1429.97   66.960    1396.33   94.345    1464.11   95.049    101.903 3.4565  104.354 3.4006  -2.450638      4.848881 
1 1 1 10  5   21 o 8.1168  2.3503  2.8616    8.1479    4.3278    11.723    1.4914    11.333    8.4335  3.3905  7.8001  3.2557  0.6333785      4.700521 
1 1 1 10  5   22 o 72.015  2.0983  698.135   40.453    719.100   56.942    676.771   57.481    73.113  2.9077  70.916  3.0262  2.197647       4.196686 
1 1 1 10  5   23 o 90.821  2.3072  1112.58   56.123    1116.50   79.070    1108.59   79.674    90.986  3.2445  90.656  3.2812  0.3299637      4.614432 
1 1 1 10  5   24 o 101.158 2.4606  1384.56   66.668    1377.74   93.949    1391.47   94.621    100.908 3.4760  101.408 3.4836  -0.4994965     4.921148 
1 1 1 10  5   25 o 59.381  2.6751  488.079   38.359    462.838   70.094    498.870   45.831    57.985  4.5496  60.777  2.8154  -2.792061      5.350278 
1 1 1 10  5   26 o 84.634  2.2571  971.951   51.138    929.512   71.964    1015.24   72.681    82.749  3.2468  86.520  3.1363  -3.770752      4.514246 
1 1 1 10  5   27 o 72.383  2.1572  711.719   41.809    727.179   58.834    695.946   59.424    73.193  3.0010  71.572  3.0998  1.621078       4.314465 
1 1 1 10  5   28 o 76.189  2.2060  790.382   45.016    781.188   63.311    799.784   64.019    75.740  3.1208  76.637  3.1188  -0.8970032     4.412037 
1 1 1 10  5   29 o 46.017  1.9748  289.011   24.206    274.076   33.954    304.446   34.517    44.787  2.8451  47.246  2.7393  -2.458672      3.949527 
1 1 1 10  5   30 o 43.461  2.0138  259.387   23.259    277.288   32.783    241.244   33.004    45.020  2.7316  41.903  2.9596  3.116932       4.027507 
1 1 1 10  5   31 o 36.576  2.0275  184.899   19.645    199.099   27.671    170.470   27.893    38.051  2.7332  35.101  2.9955  2.949863       4.055051 
1 1 1 10  5   32 o 24.885  2.3566  87.950    15.191    97.855    21.325    77.743    21.646    26.433  3.0691  23.337  3.5770  3.095724       4.713215 
1 1 1 10  5   33 f 22.995  2.5830  76.418    15.190    92.993    21.979    61.261    21.018    25.584  3.2832  20.406  3.9884  5.178366       5.165931 
1 1 1 10  5   34 o 8.1218  2.3849  -3.4817   9.6322    12.704    13.994    -18.0536  13.278    10.287  3.8163  5.9569  2.8613  4.329650       4.769814 
1 1 1 10  5   35 o 23.813  2.5058  83.004    15.477    86.020    21.719    79.892    22.061    24.321  3.4293  23.304  3.6545  1.016953       5.011532 
1 1 1 10  5   36 o 33.572  2.2586  161.981   19.969    143.824   27.769    181.423   28.735    31.504  3.3419  35.640  3.0392  -4.136118      4.517193 
1 1 1 10  5   37 o 39.379  2.2707  224.166   23.738    218.357   33.393    230.100   33.749    38.836  3.2398  39.923  3.1826  -1.087410      4.541498 
1 1 1 10  5   38 o 27.804  2.5106  115.802   18.226    122.444   25.660    109.040   25.893    28.735  3.3998  26.873  3.6951  1.861687       5.021235 
1 1 1 10  5   39 o 22.653  4.0986  81.894    23.953    81.894    23.953    0.0000    0.0000    22.653  4.0986  ?       ?       ?              ?        
1 1 1 10  6   0  o 134.079 2.8359  2410.51   101.772   2506.63   143.597   2313.50   144.260   136.768 3.9199  131.390 4.0991  5.378250       5.671715 
1 1 1 10  6   1  o 183.018 3.6254  4493.28   177.594   4681.27   250.851   4304.37   251.462   186.862 5.0119  179.173 5.2397  7.689041       7.250812 
1 1 1 10  6   2  o 263.914 5.0411  9351.09   356.299   9527.91   503.685   9173.99   504.081   266.417 7.0584  261.410 7.1993  5.007141       10.08220 
1 1 1 10  6   3  o 187.482 3.7245  4715.02   186.986   4590.54   264.233   4839.89   264.645   185.000 5.3325  189.965 5.2012  -4.964966      7.448983 
1 1 1 10  6   4  o 154.249 3.2087  3190.56   132.569   3174.26   187.605   3206.82   187.356   153.855 4.5524  154.643 4.5232  -0.7884521     6.417497 
1 1 1 10  6   5  o 212.361 4.0996  6055.49   233.113   6238.75   330.061   5873.10   329.284   215.575 5.7162  209.148 5.8780  6.427048       8.199115 
1 1 1 10  6   6  o 175.253 3.4615  4121.91   162.482   4166.14   230.011   4077.86   229.558   176.193 4.8738  174.313 4.9167  1.879974       6.923014 
1 1 1 10  6   7  o 317.260 5.9986  13580.19  509.720   13412.54  720.929   13747.77  720.777   315.288 8.5368  319.233 8.4295  -3.945465      11.99727 
1 1 1 10  6   8  o 224.375 4.3907  6775.42   263.703   7069.77   373.386   6482.49   372.478   229.260 6.0805  219.491 6.3357  9.769516       8.781467 
1 1 1 10  6   9  o 75.762  2.0224  769.903   41.015    740.898   58.084    798.748   57.924    74.337  2.9172  77.188  2.8017  -2.850983      4.044706 
1 1 1 10  6   10 o 34.443  1.6992  159.829   15.569    166.265   22.058    153.441   21.977    35.141  2.3571  33.745  2.4481  1.396259       3.398422 
1 1 1 10  6   11 o 150.538 3.1262  3044.47   126.053   3059.06   178.301   3029.89   178.230   150.900 4.4114  150.176 4.4309  0.7234192      6.252447 
1 1 1 10  6   12 o 125.963 2.7166  2130.55   91.638    2079.36   129.509   2181.88   129.683   124.444 3.8854  127.482 3.7979  -3.038269      5.433296 
1 1 1 10  6   13 f 103.479 2.4230  1437.14   67.153    1419.34   94.886    1455.01   95.052    102.836 3.4448  104.122 3.4082  -1.286659      4.845918 
1 1 1 10  6   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  6   15 o 85.222  2.1992  974.664   50.187    1002.08   71.029    947.336   70.921    86.421  3.0685  84.023  3.1513  2.397835       4.398467 
1 1 1 10  6   16 o 157.146 3.2381  3321.77   136.292   3289.15   192.464   3354.58   193.029   156.370 4.5952  157.922 4.5634  -1.552399      6.476189 
1 1 1 10  6   17 o 61.528  1.9734  507.908   32.522    507.055   45.915    508.767   46.071    61.476  2.7885  61.579  2.7932  -0.1035156     3.946827 
1 1 1 10  6   18 o 79.278  2.0959  843.944   44.463    797.953   62.602    890.761   63.162    77.094  3.0317  81.463  2.8947  -4.368904      4.191706 
1 1 1 10  6   19 f 41.322  1.8681  230.255   20.552    239.756   29.025    220.703   29.104    42.186  2.5811  40.457  2.7013  1.729431       3.736238 
1 1 1 10  6   20 o 26.177  2.0799  94.100    14.088    76.527    19.928    111.658   19.919    23.637  3.2322  28.716  2.6186  -5.078650      4.159814 
1 1 1 10  6   21 o 95.054  2.3581  1217.18   60.022    1242.19   84.635    1191.87   85.136    96.044  3.2900  94.064  3.3791  1.979469       4.716142 
1 1 1 10  6   22 o 50.204  1.9319  340.256   25.872    346.562   36.381    333.803   36.800    50.682  2.6896  49.726  2.7740  0.9562874      3.863836 
1 1 1 10  6   23 o 8.9409  2.3845  7.7746    7.8309    5.7896    11.287    9.6166    10.873    8.5763  3.3660  9.3056  3.3784  -0.7292576     4.769065 
1 1 1 10  6   24 o 46.510  2.7266  292.866   33.818    0.0000    0.0000    292.866   33.818    ?       ?       46.510  2.7266  ?              ?        
1 1 1 10  6   25 o 96.845  2.4272  1274.24   62.946    1238.15   88.634    1310.97   89.409    95.447  3.4669  98.242  3.3977  -2.795044      4.854313 
1 1 1 10  6   26 o 28.230  1.9902  109.161   14.796    99.538    20.897    118.835   20.952    26.941  2.9438  29.518  2.6792  -2.577507      3.980483 
1 1 1 10  6   27 o 21.580  2.2434  65.049    12.385    78.727    17.720    51.986    17.318    23.931  2.8186  19.229  3.4910  4.702137       4.486796 
1 1 1 10  6   28 o 85.937  2.3258  1009.48   53.498    960.752   75.144    1059.57   76.182    83.803  3.3477  88.071  3.2294  -4.268616      4.651505 
1 1 1 10  6   29 o 41.056  2.0224  230.968   22.099    226.527   31.068    235.516   31.441    40.651  2.8718  41.461  2.8485  -0.8099060     4.044861 
1 1 1 10  6   30 o 36.796  2.0309  186.464   19.850    180.046   27.904    193.040   28.244    36.139  2.9073  37.453  2.8365  -1.314022      4.061811 
1 1 1 10  6   31 o 35.166  2.1026  171.543   19.605    163.337   27.478    180.052   27.979    34.283  3.0233  36.048  2.9229  -1.764675      4.205197 
1 1 1 10  6   32 o 39.001  3.9131  218.021   40.327    0.0000    0.0000    218.021   40.327    ?       ?       39.001  3.9131  ?              ?        
1 1 1 10  6   33 o 32.368  2.1591  147.838   18.488    151.314   25.992    144.280   26.302    32.788  2.9926  31.948  3.1132  0.8398914      4.318288 
1 1 1 10  6   34 o 20.438  2.6958  62.629    14.104    78.330    20.041    47.222    19.852    23.292  3.3050  17.585  4.2598  5.707222       5.391580 
1 1 1 10  6   35 o 24.455  2.6201  89.866    16.066    64.681    22.745    114.947   22.698    20.549  4.2717  28.362  3.0350  -7.812733      5.240129 
1 1 1 10  6   36 o 22.369  2.7750  75.861    15.908    63.377    22.476    88.391    22.518    20.248  4.2783  24.490  3.5352  -4.242012      5.549931 
1 1 1 10  6   37 o 10.106  2.8288  10.350    11.499    5.3849    15.950    15.724    16.593    9.2118  3.8552  11.000  4.1409  -1.788347      5.657666 
1 1 1 10  6   38 f 24.926  2.6711  95.906    17.115    109.418   24.266    82.531    24.143    26.973  3.4368  22.879  4.0899  4.093836       5.342170 
1 1 1 10  7   0  o 98.167  2.2897  1291.50   60.193    1311.52   84.786    1271.17   85.469    98.934  3.1996  97.399  3.2762  1.534981       4.579348 
1 1 1 10  7   1  o 238.370 4.5696  7627.28   291.757   7596.61   412.073   7658.10   413.142   237.889 6.4671  238.851 6.4578  -0.9616394     9.139295 
1 1 1 10  7   2  o 322.575 6.0561  14003.95  523.018   14488.37  739.675   13519.57  739.643   328.181 8.4147  316.969 8.7120  11.21268       12.11220 
1 1 1 10  7   3  o 183.845 3.6794  4535.45   181.175   4573.67   256.112   4497.16   256.329   184.622 5.1791  183.068 5.2275  1.553986       7.358701 
1 1 1 10  7   4  o 76.254  2.0709  779.308   42.294    791.218   59.857    767.434   59.769    76.836  2.9084  75.672  2.9488  1.164436       4.141821 
1 1 1 10  7   5  o 226.837 4.4130  6917.58   268.096   6801.18   379.252   7033.84   379.037   224.922 6.2951  228.752 6.1863  -3.829712      8.826022 
1 1 1 10  7   6  o 197.060 3.8776  5219.04   204.601   5068.86   289.423   5369.07   289.277   194.216 5.5636  199.904 5.4026  -5.688080      7.755150 
1 1 1 10  7   7  o 158.288 3.2494  3364.75   137.743   3298.19   194.941   3431.11   194.656   156.721 4.6440  159.856 4.5462  -3.135788      6.498794 
1 1 1 10  7   8  o 94.338  2.2757  1193.82   57.491    1168.17   81.467    1219.28   81.144    93.326  3.2590  95.350  3.1772  -2.023163      4.551485 
1 1 1 10  7   9  o 97.654  2.3510  1279.51   61.482    1252.90   87.118    1305.91   86.782    96.641  3.3656  98.668  3.2837  -2.027367      4.702095 
1 1 1 10  7   10 o 84.057  2.1531  947.669   48.475    946.812   68.696    948.519   68.412    84.019  3.0526  84.095  3.0372  -0.7632446E-01 4.306115 
1 1 1 10  7   11 o 43.490  1.7640  254.572   20.441    242.044   28.926    267.069   28.891    42.412  2.5583  44.568  2.4293  -2.155773      3.527983 
1 1 1 10  7   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  7   13 o 48.546  1.8439  316.891   23.887    321.356   34.028    312.552   33.541    48.885  2.6082  48.208  2.6073  0.6760788      3.687898 
1 1 1 10  7   14 o 82.319  2.1759  909.390   47.961    883.836   67.857    934.899   67.799    81.161  3.1215  83.477  3.0323  -2.316025      4.351803 
1 1 1 10  7   15 f 118.147 2.6406  1874.98   83.556    1903.36   118.109   1846.55   118.223   119.045 3.7041  117.250 3.7644  1.795593       5.281213 
1 1 1 10  7   16 o 87.559  2.2355  1029.29   52.416    1055.56   74.105    1002.98   74.149    88.680  3.1199  86.438  3.2027  2.241997       4.471085 
1 1 1 10  7   17 o 80.554  2.1225  871.174   45.794    877.921   64.656    864.383   64.869    80.868  2.9850  80.240  3.0182  0.6280975      4.244978 
1 1 1 10  7   18 o 73.623  2.0622  727.978   40.664    734.766   57.370    721.123   57.647    73.969  2.8956  73.276  2.9371  0.6928101      4.124488 
1 1 1 10  7   19 o 47.248  1.8937  300.915   23.856    310.108   33.627    291.602   33.847    47.982  2.6265  46.513  2.7288  1.469101       3.787426 
1 1 1 10  7   20 f 128.973 2.8634  2246.00   98.914    2258.74   139.544   2233.13   140.229   129.346 4.0278  128.600 4.0711  0.7463684      5.726870 
1 1 1 10  7   21 o 120.702 2.7218  1970.12   87.947    2039.83   124.132   1899.87   124.622   122.869 3.7718  118.535 3.9252  4.333534       5.443677 
1 1 1 10  7   22 o 63.195  1.9913  538.131   33.696    520.250   47.383    556.427   47.928    62.128  2.8474  64.261  2.7845  -2.132767      3.982589 
1 1 1 10  7   23 o 63.027  2.8767  536.331   48.564    0.0000    0.0000    536.331   48.564    ?       ?       63.027  2.8767  ?              ?        
1 1 1 10  7   24 o 25.350  2.0990  88.816    13.785    103.338   19.434    74.111    19.556    27.536  2.6684  23.164  3.2407  4.371918       4.197907 
1 1 1 10  7   25 o 42.778  1.9332  248.634   22.030    252.355   31.047    244.859   31.265    43.109  2.7025  42.447  2.7650  0.6612854      3.866313 
1 1 1 10  7   26 o 20.391  2.3554  59.144    12.070    40.393    16.916    78.588    17.226    16.849  3.8345  23.933  2.7364  -7.083668      4.710803 
1 1 1 10  7   27 o 64.309  2.0747  562.500   35.731    549.393   50.148    576.016   50.924    63.544  2.9464  65.074  2.9216  -1.529961      4.149342 
1 1 1 10  7   28 o 31.304  2.0456  134.929   16.920    142.463   23.727    127.135   24.134    32.233  2.7753  30.374  3.0059  1.858902       4.091174 
1 1 1 10  7   29 o 21.369  2.4317  65.624    13.087    84.927    18.580    46.617    18.437    24.767  2.8530  17.972  3.9388  6.795109       4.863494 
1 1 1 10  7   30 o 44.995  2.0404  279.241   24.455    272.003   34.319    286.707   34.857    44.393  2.9023  45.597  2.8687  -1.204079      4.080785 
1 1 1 10  7   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  7   32 o 25.481  2.3215  92.583    15.454    94.218    21.450    90.818    22.283    25.767  3.1751  25.196  3.3878  0.5711098      4.643089 
1 1 1 10  7   33 o 19.251  2.7101  55.026    13.478    48.020    18.807    62.423    19.324    17.872  4.0254  20.631  3.6295  -2.758886      5.420121 
1 1 1 10  7   34 o 6.7544  2.2060  -9.0491   9.3410    -8.2399   13.426    -9.8083   13.005    6.9046  3.1728  6.6042  3.0659  0.3003206      4.412022 
1 1 1 10  7   35 o 35.000  2.2018  175.291   20.380    161.628   28.488    189.613   29.167    33.523  3.2120  36.476  3.0123  -2.952808      4.403532 
1 1 1 10  7   36 o 21.780  2.8242  72.431    15.867    70.439    22.271    74.484    22.611    21.449  4.0244  22.111  3.9635  -0.6614094     5.648459 
1 1 1 10  7   37 o 18.843  3.0855  57.186    15.305    63.528    21.733    50.946    21.556    20.033  4.1851  17.652  4.5350  2.381189       6.170977 
1 1 1 10  8   0  o 52.371  1.7640  367.529   24.740    372.334   34.818    362.629   35.158    52.717  2.4659  52.025  2.5231  0.6920357      3.527955 
1 1 1 10  8   1  o 306.907 5.7916  12678.72  476.080   12772.14  672.807   12585.04  673.750   308.046 8.1543  305.767 8.2266  2.278168       11.58313 
1 1 1 10  8   2  o 95.507  2.2740  1222.74   58.167    1232.30   82.004    1213.07   82.521    95.883  3.1930  95.130  3.2386  0.7524948      4.547956 
1 1 1 10  8   3  o 199.585 3.9124  5351.42   209.094   5492.88   295.651   5209.86   295.755   202.232 5.4581  196.938 5.6068  5.294388       7.824759 
1 1 1 10  8   4  o 297.348 5.6660  11923.28  451.238   11769.12  638.055   12077.54  638.238   295.412 8.0638  299.284 7.9618  -3.871796      11.33205 
1 1 1 10  8   5  o 49.549  1.8134  329.909   23.983    333.922   34.076    325.969   33.761    49.848  2.5608  49.249  2.5682  0.5994072      3.626761 
1 1 1 10  8   6  o 126.752 2.7726  2155.98   94.130    2159.66   133.342   2152.32   132.900   126.859 3.9242  126.644 3.9179  0.2154007      5.545218 
1 1 1 10  8   7  o 104.399 2.4345  1462.17   68.075    1455.39   96.493    1468.90   96.054    104.157 3.4587  104.641 3.4271  -0.4838409     4.869045 
1 1 1 10  8   8  o 107.602 2.5072  1553.55   72.257    1573.11   102.448   1534.19   101.927   108.277 3.5325  106.927 3.5589  1.349487       5.014358 
1 1 1 10  8   9  o 65.783  1.9585  580.929   34.460    547.254   48.868    614.235   48.600    63.882  2.8560  67.684  2.6808  -3.801910      3.917078 
1 1 1 10  8   10 f 261.743 5.0275  9255.19   352.443   9143.52   498.504   9366.79   498.356   260.150 7.1541  263.335 7.0655  -3.185303      10.05497 
1 1 1 10  8   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  8   12 f 155.071 3.2328  3233.21   134.257   3299.42   190.008   3167.19   189.727   156.662 4.5281  153.479 4.6152  3.182632       6.465601 
1 1 1 10  8   13 o 39.106  1.8424  206.029   19.183    201.785   27.214    210.220   27.045    38.701  2.6411  39.511  2.5695  -0.8103218     3.684803 
1 1 1 10  8   14 o 122.130 2.6622  2003.59   87.075    2038.38   123.169   1968.82   123.117   123.193 3.7327  121.066 3.7967  2.126083       5.324314 
1 1 1 10  8   15 o 23.245  2.0404  73.603    12.427    75.877    17.691    71.387    17.461    23.609  2.8556  22.881  2.9153  0.7278862      4.080873 
1 1 1 10  8   16 f 98.043  2.4122  1291.40   63.344    1274.95   89.495    1307.92   89.668    97.415  3.4299  98.670  3.3929  -1.254494      4.824486 
1 1 1 10  8   17 o 85.097  2.2429  973.102   51.118    988.502   72.242    957.660   72.341    85.773  3.1445  84.420  3.1993  1.353485       4.485867 
1 1 1 10  8   18 o 127.468 2.8340  2190.09   96.760    2180.94   136.656   2199.29   137.022   127.200 4.0110  127.736 4.0049  -0.5352783     5.668077 
1 1 1 10  8   19 o 67.207  2.0651  607.559   37.168    618.213   52.469    596.829   52.658    67.802  2.8892  66.613  2.9513  1.188889       4.130128 
1 1 1 10  8   20 o 41.952  1.8997  237.701   21.229    231.014   29.891    244.507   30.154    41.350  2.7139  42.553  2.6589  -1.202641      3.799337 
1 1 1 10  8   21 o 14.954  2.7608  35.601    12.003    47.148    14.247    7.3618    22.280    18.470  2.9814  11.439  4.6474  7.031023       5.521533 
1 1 1 10  8   22 o 104.724 2.5466  1487.60   71.402    1535.56   100.863   1439.42   101.092   106.439 3.5379  103.008 3.6640  3.430679       5.093287 
1 1 1 10  8   23 o 34.644  1.9298  163.106   17.760    166.545   25.176    159.699   25.057    35.014  2.7054  34.274  2.7526  0.7400169      3.859558 
1 1 1 10  8   24 o 108.471 2.6260  1604.95   76.290    1576.78   107.407   1633.63   108.381   107.502 3.7302  109.441 3.6973  -1.938446      5.252045 
1 1 1 10  8   25 o 42.562  1.9589  246.705   22.156    226.823   31.213    266.897   31.456    40.799  2.8746  44.324  2.6619  -3.525375      3.917768 
1 1 1 10  8   26 o 22.317  2.2590  69.589    12.982    80.143    18.363    59.044    18.356    24.118  2.9008  20.516  3.4637  3.602024       4.517976 
1 1 1 10  8   27 o 7.6992  2.2707  0.9464    7.9748    5.8312    11.335    -3.8418   11.222    8.5368  3.3659  6.8616  3.0487  1.675198       4.541348 
1 1 1 10  8   28 o 28.296  2.0940  110.863   15.600    117.566   21.950    104.022   22.174    29.204  2.8420  27.387  3.0761  1.817455       4.188007 
1 1 1 10  8   29 f 25.864  2.2152  93.450    15.032    94.636    21.344    92.283    21.175    26.032  3.1235  25.696  3.1420  0.3361111      4.430354 
1 1 1 10  8   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  8   31 o 21.493  2.5119  66.908    13.896    59.609    19.700    74.137    19.605    20.200  3.7800  22.786  3.3090  -2.586008      5.023742 
1 1 1 10  8   32 o 22.325  2.5111  73.198    14.276    58.303    20.276    87.841    20.104    19.799  3.9617  24.851  3.0868  -5.051939      5.022288 
1 1 1 10  8   33 o 57.122  2.1805  462.309   33.184    486.194   46.657    437.860   47.206    58.725  2.9759  55.519  3.1878  3.206306       4.360980 
1 1 1 10  8   34 o 35.778  2.2060  182.643   20.919    176.504   29.107    189.201   30.085    35.150  3.1242  36.406  3.1153  -1.256229      4.411932 
1 1 1 10  8   35 o 37.412  2.3000  202.390   22.815    206.441   32.358    198.385   32.173    37.808  3.2261  37.015  3.2790  0.7930717      4.599983 
1 1 1 10  8   36 o 23.339  2.7464  83.283    16.501    73.269    22.935    94.029    23.758    21.701  4.0958  24.977  3.6599  -3.275473      5.492799 
1 1 1 10  9   0  o 33.226  1.7102  148.854   15.099    155.309   21.240    142.261   21.468    33.964  2.3492  32.488  2.4859  1.476379       3.420326 
1 1 1 10  9   1  f 106.830 2.4210  1530.16   69.273    1519.89   97.545    1540.61   98.395    106.468 3.4206  107.192 3.4271  -0.7233734     4.842000 
1 1 1 10  9   2  o 306.824 5.7751  12699.76  474.607   12736.55  670.846   12662.90  671.544   307.273 8.1510  306.375 8.1834  0.8984070      11.55015 
1 1 1 10  9   3  o 72.699  2.0345  708.542   39.615    712.574   55.899    704.472   56.151    72.908  2.8625  72.491  2.8919  0.4163818      4.069017 
1 1 1 10  9   4  o 208.583 4.1218  5852.36   230.281   5830.34   325.643   5874.39   325.690   208.189 5.8398  208.978 5.8186  -0.7884216     8.243690 
1 1 1 10  9   5  o 94.832  2.2871  1206.57   58.066    1164.92   82.188    1248.07   82.046    93.195  3.2925  96.468  3.1753  -3.273933      4.574197 
1 1 1 10  9   6  o 48.704  1.8194  318.870   23.650    320.791   33.519    316.965   33.372    48.850  2.5708  48.557  2.5751  0.2931671      3.638727 
1 1 1 10  9   7  o 88.610  2.2410  1053.22   53.187    1049.29   75.458    1057.10   74.979    88.445  3.1853  88.775  3.1533  -0.3301315     4.482085 
1 1 1 10  9   8  o 216.814 4.2778  6333.79   248.408   6421.73   351.654   6246.21   350.952   218.324 6.0135  215.304 6.0856  3.019577       8.555533 
1 1 1 10  9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  9   10 o 112.897 2.5688  1710.96   77.677    1723.83   110.095   1698.21   109.609   113.320 3.6272  112.474 3.6384  0.8461456      5.137547 
1 1 1 10  9   11 o 42.772  1.8911  246.241   21.550    254.617   30.697    238.101   30.261    43.494  2.6476  42.050  2.7011  1.444164       3.782242 
1 1 1 10  9   12 o 89.843  2.2622  1083.14   54.438    1093.56   77.150    1072.80   76.824    90.274  3.1907  89.413  3.2078  0.8618317      4.524451 
1 1 1 10  9   13 o 153.048 3.2277  3150.78   132.311   3127.42   187.120   3174.14   187.112   152.478 4.5817  153.618 4.5475  -1.139771      6.455329 
1 1 1 10  9   14 o 125.493 2.7514  2116.67   92.480    2135.58   130.849   2097.80   130.724   126.054 3.8755  124.931 3.9066  1.123535       5.502780 
1 1 1 10  9   15 o 109.208 2.4993  1603.11   73.078    1656.73   103.447   1549.70   103.248   111.037 3.4782  107.379 3.5898  3.658104       4.998502 
1 1 1 10  9   16 o 50.871  1.9213  348.572   26.049    370.765   37.006    326.774   36.674    52.489  2.6406  49.253  2.7914  3.235607       3.842536 
1 1 1 10  9   17 o 80.562  2.2191  872.736   47.881    883.639   67.706    861.828   67.723    81.067  3.1181  80.056  3.1583  1.010880       4.438177 
1 1 1 10  9   18 o 134.152 2.9582  2431.44   106.293   2410.78   150.134   2452.20   150.509   133.577 4.1962  134.727 4.1708  -1.149872      5.916406 
1 1 1 10  9   19 o 89.168  2.3068  1071.91   55.091    1060.50   77.830    1083.36   77.992    88.690  3.2763  89.646  3.2481  -0.9560089     4.613505 
1 1 1 10  9   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  9   21 o 27.576  1.9826  103.723   14.415    110.312   20.421    97.179    20.351    28.474  2.7102  26.678  2.8945  1.796133       3.965238 
1 1 1 10  9   22 o 71.813  2.1334  697.923   41.033    703.777   57.807    691.979   58.254    72.123  2.9924  71.504  3.0416  0.6191025      4.266805 
1 1 1 10  9   23 o 40.098  1.9489  218.599   20.791    225.663   29.292    211.428   29.515    40.766  2.6979  39.430  2.8132  1.336159       3.897758 
1 1 1 10  9   24 o 50.546  1.9849  347.305   26.761    354.549   37.758    339.993   37.935    51.087  2.7697  50.005  2.8440  1.082081       3.969869 
1 1 1 10  9   25 o 55.186  1.9969  414.513   29.418    409.638   41.477    419.448   41.730    54.856  2.8326  55.516  2.8156  -0.6599274     3.993894 
1 1 1 10  9   26 o 9.0626  2.4550  6.5163    8.7574    -0.7312   12.535    13.426    12.240    7.7499  3.3363  10.375  3.6024  -2.625423      4.910027 
1 1 1 10  9   27 o 29.939  2.0757  123.768   16.407    130.128   23.144    117.343   23.263    30.747  2.8425  29.131  3.0255  1.615570       4.151328 
1 1 1 10  9   28 o 24.303  2.3253  83.219    14.567    69.322    20.400    97.679    20.808    22.095  3.5686  26.511  2.9822  -4.415508      4.650608 
1 1 1 10  9   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  9   30 o 39.669  2.0818  219.525   21.956    220.717   30.760    218.286   31.351    39.800  2.9055  39.539  2.9822  0.2614441      4.163627 
1 1 1 10  9   31 o 22.124  2.4968  71.063    14.266    75.944    20.084    66.093    20.268    22.983  3.3620  21.266  3.6921  1.716894       4.993500 
1 1 1 10  9   32 o 47.491  2.1234  317.903   26.849    301.122   37.568    335.422   38.387    46.165  3.0555  48.818  2.9495  -2.653114      4.246892 
1 1 1 10  9   33 o 13.500  3.0086  27.262    12.164    25.586    17.117    28.972    17.289    13.145  4.2577  13.855  4.2520  -0.7099133     6.017224 
1 1 1 10  9   34 o 29.170  2.6350  128.252   19.065    169.073   27.038    87.887    26.887    34.438  2.9600  23.902  4.3603  10.53547       5.270062 
1 1 1 10  9   35 o 28.571  2.5407  121.626   19.012    120.111   26.854    123.148   26.920    28.374  3.6157  28.769  3.5702  -0.3957119     5.081326 
1 1 1 10  10  0  o 247.934 4.7332  8275.08   314.325   8229.71   443.908   8320.70   445.139   247.251 6.7030  248.617 6.6846  -1.366653      9.466449 
1 1 1 10  10  1  o 208.643 4.0979  5855.36   228.947   5998.46   323.390   5711.56   324.172   211.210 5.7164  206.074 5.8730  5.135971       8.195704 
1 1 1 10  10  2  o 88.207  2.2111  1043.30   52.239    1038.77   73.589    1047.90   74.168    88.014  3.1216  88.400  3.1324  -0.3855286     4.422226 
1 1 1 10  10  3  o 230.656 4.4814  7165.04   276.845   7056.39   391.149   7274.10   391.887   228.895 6.3799  232.417 6.2951  -3.521545      8.962821 
1 1 1 10  10  4  o 160.622 3.2878  3466.16   141.446   3433.43   199.951   3498.96   200.118   159.861 4.6697  161.383 4.6295  -1.522781      6.575650 
1 1 1 10  10  5  o 94.863  2.3179  1207.28   58.889    1188.18   83.323    1226.34   83.240    94.112  3.3054  95.614  3.2503  -1.502327      4.635758 
1 1 1 10  10  6  o 122.603 2.6871  2017.77   88.241    2016.77   125.026   2018.77   124.559   122.572 3.8082  122.634 3.7921  -0.6187439E-01 5.374234 
1 1 1 10  10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  10  8  o 126.705 3.5115  2171.96   111.013   2124.03   195.587   2194.74   134.837   125.567 5.8153  127.843 3.9377  -2.275780      7.023095 
1 1 1 10  10  9  o 52.242  1.9289  367.181   26.883    357.540   38.273    376.569   37.767    51.559  2.7817  52.925  2.6728  -1.366505      3.857715 
1 1 1 10  10  10 o 95.925  2.3624  1234.83   60.682    1273.60   86.183    1196.71   85.456    97.420  3.3028  94.429  3.3787  2.990921       4.724812 
1 1 1 10  10  11 o 99.779  2.4011  1336.33   64.164    1364.46   91.018    1308.53   90.468    100.825 3.3703  98.733  3.4209  2.091423       4.802273 
1 1 1 10  10  12 o 97.372  2.3785  1272.95   62.018    1308.34   87.919    1237.91   87.496    98.722  3.3249  96.022  3.4020  2.699142       4.756938 
1 1 1 10  10  13 o 96.553  2.3128  1252.09   59.778    1306.24   84.750    1198.49   84.328    98.636  3.2079  94.471  3.3326  4.165131       4.625684 
1 1 1 10  10  14 o 47.712  1.8903  306.562   24.015    330.550   34.214    283.270   33.715    49.566  2.5861  45.858  2.7576  3.707745       3.780549 
1 1 1 10  10  15 o 15.487  2.5006  33.534    10.134    33.760    14.726    33.331    13.969    15.533  3.6084  15.441  3.4630  0.9224606E-01  5.001242 
1 1 1 10  10  16 o 27.852  2.0600  105.260   15.101    115.204   21.757    96.017    20.976    29.145  2.8224  26.558  3.0014  2.587189       4.119936 
1 1 1 10  10  17 o 103.105 2.4773  1432.81   68.407    1407.52   96.646    1458.20   96.838    102.188 3.5310  104.022 3.4756  -1.833672      4.954567 
1 1 1 10  10  18 o 101.980 2.4684  1403.79   67.414    1372.99   95.237    1434.71   95.438    100.852 3.5256  103.109 3.4557  -2.257652      4.936797 
1 1 1 10  10  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  10  20 o 41.387  1.9351  232.352   21.281    214.810   30.085    249.918   30.107    39.796  2.8411  42.977  2.6281  -3.180740      3.870252 
1 1 1 10  10  21 o 102.613 2.4955  1430.13   68.585    1408.16   96.688    1452.39   97.304    101.813 3.5455  103.413 3.5129  -1.599792      4.991096 
1 1 1 10  10  22 o 13.210  2.5718  24.330    9.7162    32.779    13.688    15.747    13.795    15.233  3.4364  11.187  3.8274  4.046170       5.143696 
1 1 1 10  10  23 o 51.568  1.9959  361.646   27.441    375.451   38.621    347.571   38.995    52.584  2.7517  50.552  2.8920  2.031902       3.991895 
1 1 1 10  10  24 o 59.978  2.0614  488.754   33.116    485.013   46.696    492.539   46.972    59.747  2.9179  60.210  2.9126  -0.4634018     4.122785 
1 1 1 10  10  25 o 37.394  2.0062  191.374   19.936    195.919   28.103    186.770   28.286    37.856  2.7913  36.932  2.8823  0.9239235      4.012337 
1 1 1 10  10  26 o 38.223  2.0142  200.550   20.463    194.607   28.997    206.447   28.883    37.639  2.8985  38.806  2.7975  -1.167084      4.028319 
1 1 1 10  10  27 o 19.532  2.5680  54.446    12.925    60.559    18.638    48.782    17.939    20.652  3.4938  18.411  3.7646  2.241169       5.136074 
1 1 1 10  10  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  10  29 f 11.985  2.7762  19.764    10.520    13.718    15.149    25.395    14.620    10.753  3.9744  13.216  3.8773  -2.463176      5.552398 
1 1 1 10  10  30 o 39.962  2.1100  224.028   22.413    217.187   31.649    230.911   31.746    39.320  3.0284  40.604  2.9389  -1.284012      4.219947 
1 1 1 10  10  31 o 15.743  2.8952  37.582    12.422    43.215    17.338    31.639    17.806    16.995  3.8925  14.492  4.2869  2.503043       5.790375 
1 1 1 10  10  32 o 25.236  2.6661  96.381    16.538    61.667    23.378    131.160   23.400    20.023  4.4720  30.450  2.9042  -10.42753      5.332298 
1 1 1 10  10  33 o 18.290  3.0616  51.985    14.813    57.775    20.769    45.991    21.132    19.456  4.1140  17.124  4.5353  2.332558       6.123275 
1 1 1 10  10  34 o 18.147  3.0610  51.952    14.679    54.325    20.618    49.512    20.905    18.636  4.2276  17.658  4.4280  0.9782066      6.122038 
1 1 1 10  10  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  11  0  o 198.645 3.9122  5309.38   208.011   5525.04   293.800   5092.63   294.546   202.710 5.4111  194.581 5.6515  8.129105       7.824318 
1 1 1 10  11  1  o 117.422 2.6147  1851.60   82.154    1937.85   115.861   1764.37   116.509   120.180 3.5993  114.663 3.7936  5.517204       5.229322 
1 1 1 10  11  2  o 140.158 2.9593  2638.80   111.034   2731.91   156.742   2545.00   157.311   142.648 4.1023  137.667 4.2662  4.980164       5.918552 
1 1 1 10  11  3  o 100.170 2.3908  1346.28   64.121    1298.09   90.373    1395.13   90.993    98.362  3.4302  101.978 3.3313  -3.615883      4.781591 
1 1 1 10  11  4  o 137.831 2.9298  2551.30   108.151   2509.03   152.795   2593.74   153.104   136.685 4.1735  138.978 4.1129  -2.293640      5.859549 
1 1 1 10  11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  11  6  f 117.566 2.6202  1855.81   82.490    1813.26   116.864   1898.06   116.455   116.219 3.7542  118.913 3.6563  -2.693954      5.240427 
1 1 1 10  11  7  o 137.489 2.9426  2539.25   108.361   2573.65   153.571   2505.15   152.923   138.418 4.1422  136.560 4.1808  1.858322       5.885278 
1 1 1 10  11  8  o 75.672  2.1059  768.075   42.679    782.857   60.559    753.490   60.156    76.396  2.9595  74.948  2.9966  1.448097       4.211708 
1 1 1 10  11  9  o 191.866 3.8349  4957.63   197.052   5059.16   279.088   4856.70   278.260   193.834 5.3755  189.898 5.4707  3.936371       7.669739 
1 1 1 10  11  10 o 208.547 4.0772  5864.02   227.742   5916.24   322.381   5812.01   321.773   209.479 5.7457  207.616 5.7863  1.863297       8.154374 
1 1 1 10  11  11 o 95.400  2.3761  1221.96   60.715    1223.24   86.144    1220.70   85.587    95.449  3.3695  95.351  3.3512  0.9806061E-01  4.752228 
1 1 1 10  11  12 o 254.722 4.9033  8797.89   334.525   8878.67   473.373   8717.31   472.807   255.903 6.9062  253.542 6.9622  2.361160       9.806514 
1 1 1 10  11  13 o 90.253  2.2919  1094.46   55.393    1124.80   78.578    1064.49   78.099    91.500  3.2062  89.006  3.2759  2.493248       4.583835 
1 1 1 10  11  14 o 75.344  2.1344  762.804   43.072    762.778   61.031    762.831   60.797    75.342  3.0243  75.345  3.0125  -0.3578186E-02 4.268711 
1 1 1 10  11  15 o 30.776  1.9626  128.366   15.996    125.609   22.813    131.033   22.434    30.441  2.8303  31.111  2.7196  -0.6696014     3.925159 
1 1 1 10  11  16 o 121.921 2.7343  2006.91   89.290    2019.33   126.305   1994.50   126.245   122.301 3.8557  121.541 3.8780  0.7598648      5.468518 
1 1 1 10  11  17 o 128.331 2.8366  2229.22   97.503    2238.61   137.873   2219.82   137.907   128.605 4.0025  128.058 4.0206  0.5471191      5.673210 
1 1 1 10  11  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  11  19 o 75.226  2.1377  764.687   43.070    776.166   60.944    753.234   60.877    75.794  3.0019  74.657  3.0444  1.137398       4.275476 
1 1 1 10  11  20 o 71.791  2.1331  697.456   41.017    693.596   57.963    701.327   58.051    71.591  3.0228  71.992  3.0105  -0.4009323     4.266182 
1 1 1 10  11  21 o 54.425  2.0125  401.943   29.234    396.737   41.293    407.173   41.392    54.067  2.8616  54.783  2.8305  -0.7160339     4.025000 
1 1 1 10  11  22 o 21.274  2.2362  62.789    12.351    64.666    17.509    60.930    17.425    21.608  3.1152  20.941  3.2089  0.6664314      4.472302 
1 1 1 10  11  23 o 20.177  2.4239  57.535    12.438    73.120    17.847    42.816    17.344    23.014  2.9641  17.340  3.8360  5.673798       4.847761 
1 1 1 10  11  24 o 35.575  2.0457  173.923   19.199    152.237   27.069    195.875   27.234    33.271  3.0722  37.878  2.7021  -4.606361      4.091417 
1 1 1 10  11  25 o 48.801  2.0426  326.302   26.580    327.543   37.524    325.051   37.656    48.898  2.8777  48.703  2.8997  0.1952667      4.085271 
1 1 1 10  11  26 o 29.937  2.1669  124.519   17.052    111.603   23.944    137.811   24.291    28.292  3.2168  31.582  2.9041  -3.289423      4.333746 
1 1 1 10  11  27 o 35.023  3.0345  170.486   28.184    0.0000    0.0000    170.486   28.184    ?       ?       35.023  3.0345  ?              ?        
1 1 1 10  11  28 o 39.461  2.1070  217.067   22.055    199.440   30.907    235.356   31.481    37.767  3.0821  41.156  2.8739  -3.388348      4.214092 
1 1 1 10  11  29 o 26.574  2.2978  100.519   15.989    95.231    22.663    105.759   22.561    25.818  3.3565  27.329  3.1391  -1.510975      4.595635 
1 1 1 10  11  30 o 26.295  2.3833  99.238    16.373    106.124   23.448    92.685    22.872    27.242  3.2794  25.348  3.4591  1.894377       4.766511 
1 1 1 10  11  31 o 10.377  2.8355  11.587    11.254    8.6834    16.127    14.342    15.711    9.9209  3.9808  10.834  4.0388  -0.9128380     5.670902 
1 1 1 10  11  32 o 17.087  2.9929  45.067    14.184    28.162    19.880    62.595    20.243    13.721  4.5951  20.453  3.8360  -6.731808      5.985858 
1 1 1 10  11  33 o 28.800  2.7228  125.892   19.540    165.731   27.952    87.820    27.325    33.897  3.1135  23.704  4.4677  10.19293       5.445541 
1 1 1 10  11  34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  12  0  f 145.393 3.0308  2839.69   117.996   2904.57   166.385   2774.05   167.363   147.070 4.2238  143.717 4.3477  3.353897       6.061602 
1 1 1 10  12  1  o 158.010 3.2035  3354.31   135.577   3327.29   191.158   3381.67   192.317   157.369 4.5351  158.651 4.5257  -1.281891      6.406923 
1 1 1 10  12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  12  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  12  4  o 270.829 5.2196  9915.84   378.497   10224.25  535.451   9607.84   535.099   275.077 7.2674  266.581 7.4940  8.495819       10.43911 
1 1 1 10  12  5  o 170.527 3.4624  3910.56   158.147   3918.65   223.694   3902.47   223.614   170.704 4.8924  170.350 4.9008  0.3540192      6.924842 
1 1 1 10  12  6  f 195.426 3.8696  5142.54   202.508   5022.41   286.454   5262.56   286.324   193.132 5.5375  197.720 5.4065  -4.588455      7.739137 
1 1 1 10  12  7  o 180.682 3.6477  4395.32   176.431   4225.91   249.659   4564.33   249.364   177.186 5.2605  184.179 5.0548  -6.993851      7.295500 
1 1 1 10  12  8  o 188.323 3.7497  4775.94   189.138   4763.86   267.826   4787.96   267.139   188.083 5.3164  188.563 5.2892  -0.4803772     7.499314 
1 1 1 10  12  9  o 91.144  2.2761  1115.08   55.564    1107.82   78.825    1122.25   78.336    90.848  3.2393  91.441  3.1984  -0.5921860     4.552251 
1 1 1 10  12  10 o 176.370 3.5761  4191.63   168.934   4190.80   239.237   4192.45   238.581   176.351 5.0648  176.389 5.0498  -0.3797913E-01 7.152127 
1 1 1 10  12  11 o 82.056  2.2020  904.495   48.380    882.750   68.684    925.908   68.157    81.073  3.1629  83.039  3.0644  -1.965370      4.403909 
1 1 1 10  12  12 o 134.695 2.9538  2444.14   106.538   2517.34   151.008   2371.61   150.328   136.714 4.1238  132.678 4.2301  4.035873       5.907619 
1 1 1 10  12  13 o 40.282  1.9223  218.925   20.616    223.635   29.249    214.275   29.063    40.717  2.6972  39.847  2.7397  0.8697472      3.844563 
1 1 1 10  12  14 o 28.264  1.9845  108.765   14.769    100.480   21.116    116.700   20.666    27.177  2.9480  29.351  2.6575  -2.173595      3.969021 
1 1 1 10  12  15 o 38.950  1.9033  205.155   19.716    197.638   28.083    212.462   27.687    38.233  2.7609  39.666  2.6207  -1.432663      3.806654 
1 1 1 10  12  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  12  17 o 28.061  1.9606  107.367   14.510    101.344   20.738    113.143   20.308    27.263  2.8836  28.859  2.6571  -1.595881      3.921144 
1 1 1 10  12  18 o 42.098  1.9255  240.098   21.575    253.451   30.723    227.105   30.305    43.268  2.6639  40.928  2.7810  2.339916       3.850988 
1 1 1 10  12  19 o 57.182  1.9954  442.506   30.501    456.599   43.302    428.628   42.969    58.129  2.7812  56.235  2.8622  1.894001       3.990868 
1 1 1 10  12  20 o 71.691  2.1489  696.691   41.258    711.244   58.382    682.172   58.314    72.447  3.0086  70.934  3.0692  1.512985       4.297891 
1 1 1 10  12  21 f 36.596  1.9802  182.499   19.247    191.088   27.324    174.039   27.117    37.468  2.7416  35.723  2.8579  1.745113       3.960322 
1 1 1 10  12  22 o 22.403  2.3300  70.474    13.230    89.485    18.992    52.548    18.442    25.527  2.8251  19.279  3.7060  6.247911       4.659967 
1 1 1 10  12  23 o 54.097  2.0420  399.557   29.477    391.232   41.670    407.895   41.702    53.521  2.9178  54.673  2.8576  -1.152573      4.084066 
1 1 1 10  12  24 o 44.125  2.0324  266.897   23.889    265.480   33.818    268.309   33.751    44.003  2.8853  44.246  2.8633  -0.2425385     4.064871 
1 1 1 10  12  25 o 17.585  2.6771  45.026    12.280    35.448    17.537    54.240    17.200    15.619  4.1292  19.552  3.4083  -3.932918      5.354128 
1 1 1 10  12  26 o 42.801  2.0713  253.455   23.600    251.203   33.538    255.663   33.214    42.599  2.9577  43.004  2.9005  -0.4047470     4.142543 
1 1 1 10  12  27 o 60.023  2.1535  501.323   34.507    499.467   48.609    503.209   48.994    59.915  3.0389  60.130  3.0520  -0.2148514     4.306942 
1 1 1 10  12  28 o 14.694  2.8687  31.800    12.071    21.105    16.942    42.825    17.202    12.377  4.2416  17.011  3.8635  -4.633904      5.737351 
1 1 1 10  12  29 o 31.132  2.3155  138.296   18.898    122.270   26.594    154.645   26.860    29.177  3.4711  33.086  3.0657  -3.909426      4.631066 
1 1 1 10  12  30 o 12.592  3.0220  22.423    12.242    26.070    17.264    18.734    17.363    13.310  4.2723  11.873  4.2753  1.436054       6.044044 
1 1 1 10  12  31 o 22.111  2.8514  73.529    16.255    69.569    22.982    77.493    22.994    21.430  4.1537  22.791  3.9074  -1.360794      5.702755 
1 1 1 10  12  32 o 36.631  2.3603  195.535   22.772    215.224   32.094    175.575   32.315    38.680  3.1245  34.582  3.5385  4.097637       4.720529 
1 1 1 10  12  33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  13  0  o 108.794 4.8723  1591.28   141.982   0.0000    0.0000    1591.28   141.982   ?       ?       108.794 4.8723  ?              ?        
1 1 1 10  13  1  o 204.212 4.0194  5615.87   219.811   5729.58   310.411   5501.49   311.310   206.299 5.6176  202.126 5.7502  4.173065       8.038801 
1 1 1 10  13  2  o 216.385 4.2131  6308.20   244.173   6231.52   344.707   6385.42   345.922   215.059 5.9842  217.710 5.9321  -2.650711      8.426181 
1 1 1 10  13  3  o 19.689  2.3739  54.140    11.941    63.447    16.640    44.260    17.145    21.549  2.9613  17.829  3.7110  3.720198       4.747701 
1 1 1 10  13  4  o 84.310  2.2484  953.834   50.763    975.689   71.698    931.867   71.883    85.281  3.1388  83.340  3.2202  1.940918       4.496881 
1 1 1 10  13  5  o 99.635  2.3571  1332.19   62.904    1329.81   88.916    1334.56   89.005    99.546  3.3348  99.724  3.3321  -0.1777649     4.714211 
1 1 1 10  13  6  o 205.658 4.0212  5700.44   221.469   5578.55   313.249   5822.25   313.158   203.445 5.7485  207.870 5.6245  -4.424377      8.042392 
1 1 1 10  13  7  o 93.218  2.3350  1166.35   58.297    1183.48   82.715    1149.43   82.177    93.899  3.2888  92.536  3.3155  1.362350       4.669960 
1 1 1 10  13  8  o 168.204 3.4290  3809.77   154.486   3809.86   218.832   3809.68   218.122   168.204 4.8572  168.203 4.8415  0.1083374E-02  6.857994 
1 1 1 10  13  9  o 139.945 3.0052  2635.43   112.645   2650.23   159.661   2620.76   158.949   140.337 4.2476  139.554 4.2523  0.7829590      6.010322 
1 1 1 10  13  10 o 129.043 2.8591  2241.82   98.805    2201.16   139.986   2282.20   139.477   127.869 4.0872  130.217 3.9990  -2.347046      5.718158 
1 1 1 10  13  11 o 62.245  2.0237  520.423   33.738    521.286   47.967    519.579   47.463    62.295  2.8747  62.195  2.8492  0.1004295      4.047437 
1 1 1 10  13  12 o 61.931  2.0235  515.641   33.555    503.609   47.641    527.485   47.269    61.211  2.9058  62.652  2.8168  -1.441086      4.046999 
1 1 1 10  13  13 o 115.577 2.6489  1802.44   81.973    1751.20   116.089   1853.38   115.765   113.926 3.8044  117.228 3.6868  -3.302826      5.297735 
1 1 1 10  13  14 o 63.730  2.0270  546.885   34.590    534.446   49.113    559.128   48.724    63.006  2.9103  64.454  2.8223  -1.448524      4.053989 
1 1 1 10  13  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  13  16 o 23.749  2.1138  78.199    12.952    66.454    18.709    89.008    17.949    21.935  3.2856  25.564  2.6603  -3.628740      4.227565 
1 1 1 10  13  17 o 37.369  1.9094  189.263   18.974    193.542   27.358    185.298   26.337    37.774  2.7222  36.964  2.6783  0.8097076      3.818854 
1 1 1 10  13  18 o 31.604  1.9625  135.991   16.442    138.701   23.317    133.312   23.188    31.923  2.7540  31.284  2.7967  0.6387653      3.925059 
1 1 1 10  13  19 o 58.046  2.0018  456.020   31.123    458.352   44.183    453.722   43.847    58.192  2.8346  57.899  2.8274  0.2930984      4.003651 
1 1 1 10  13  20 o 45.897  1.9839  286.563   24.265    281.395   34.512    291.615   34.123    45.476  2.8477  46.319  2.7630  -0.8425446     3.967843 
1 1 1 10  13  21 o 43.122  1.9949  253.464   22.913    257.060   32.576    249.943   32.233    43.427  2.8158  42.816  2.8266  0.6108284      3.989744 
1 1 1 10  13  22 o 25.263  2.1979  88.585    14.512    82.952    20.767    93.961    20.288    24.426  3.2552  26.101  2.9540  -1.674313      4.395742 
1 1 1 10  13  23 o 17.944  2.5580  46.671    11.828    37.592    17.240    54.745    16.257    16.139  4.0067  19.750  3.1813  -3.611073      5.116082 
1 1 1 10  13  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  13  25 o 53.364  2.1209  394.469   30.096    358.400   42.391    431.125   42.735    50.819  3.1295  55.909  2.8633  -5.090111      4.241753 
1 1 1 10  13  26 o 50.080  2.1322  349.297   28.395    379.310   40.385    319.955   39.931    52.290  2.8947  47.871  3.1315  4.419201       4.264471 
1 1 1 10  13  27 o 48.197  2.1536  325.231   27.628    344.266   39.302    306.637   38.846    49.648  2.9691  46.746  3.1204  2.901218       4.307233 
1 1 1 10  13  28 o 7.0578  2.2743  -7.5851   9.5150    -10.6061  13.178    -4.2943   13.753    6.6107  3.0746  7.5050  3.3521  -0.8943319     4.548600 
1 1 1 10  13  29 o 10.369  2.8520  11.276    11.383    12.142    16.026    10.395    16.172    10.506  4.0420  10.232  4.0248  0.2740088      5.704091 
1 1 1 10  13  30 o 19.533  2.9816  58.275    15.154    63.603    21.344    52.859    21.519    20.557  4.0203  18.510  4.4043  2.047691       5.963284 
1 1 1 10  13  31 o 27.031  2.6277  108.609   18.348    92.907    25.598    125.201   26.313    24.798  3.9891  29.264  3.4216  -4.465551      5.255500 
1 1 1 10  14  0  o 175.192 3.5242  4128.96   165.320   4231.91   233.204   4024.96   234.395   177.399 4.9079  172.985 5.0588  4.413971       7.048345 
1 1 1 10  14  1  o 94.062  2.3233  1187.42   58.519    1209.78   82.406    1164.67   83.115    94.958  3.2400  93.166  3.3307  1.791985       4.646574 
1 1 1 10  14  2  o 83.720  2.1860  940.158   49.016    925.465   68.926    955.191   69.719    83.058  3.0982  84.382  3.0847  -1.324005      4.371997 
1 1 1 10  14  3  o 112.700 2.6021  1705.41   78.542    1725.09   110.806   1685.53   111.346   113.356 3.6495  112.044 3.7102  1.311722       5.204232 
1 1 1 10  14  4  o 191.323 3.8203  4930.20   195.760   4854.96   276.532   5005.79   277.161   189.852 5.4380  192.793 5.3672  -2.940796      7.640646 
1 1 1 10  14  5  o 132.091 2.8668  2344.89   101.422   2377.58   143.460   2312.22   143.406   133.015 4.0266  131.168 4.0818  1.847122       5.733645 
1 1 1 10  14  6  o 99.397  2.3976  1326.67   63.831    1323.34   90.373    1329.98   90.168    99.272  3.3988  99.522  3.3825  -0.2499008     4.795121 
1 1 1 10  14  7  f 108.143 2.5523  1571.72   73.921    1548.99   104.725   1594.29   104.356   107.360 3.6418  108.926 3.5768  -1.565224      5.104535 
1 1 1 10  14  8  o 10.527  2.5275  13.714    8.5573    11.265    12.473    15.893    11.762    10.043  3.6226  11.011  3.5255  -0.9686489     5.054992 
1 1 1 10  14  9  o 31.169  1.9896  131.689   16.406    126.960   23.530    136.163   22.888    30.608  2.9049  31.729  2.7194  -1.121328      3.979140 
1 1 1 10  14  10 o 68.499  2.0876  630.690   38.297    625.312   54.461    635.951   53.866    68.208  2.9810  68.790  2.9235  -0.5825424     4.175263 
1 1 1 10  14  11 o 37.844  1.9257  193.864   19.338    179.698   27.482    207.758   27.217    36.451  2.8371  39.237  2.6046  -2.786167      3.851371 
1 1 1 10  14  12 o 38.634  1.9096  201.633   19.633    206.352   28.022    197.083   27.515    39.081  2.6935  38.187  2.7077  0.8937187      3.819216 
1 1 1 10  14  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  14  14 o 100.731 2.4767  1372.45   66.820    1369.52   94.784    1375.34   94.215    100.620 3.5169  100.842 3.4881  -0.2216873     4.953333 
1 1 1 10  14  15 o 39.403  1.9166  210.469   20.090    206.201   28.755    214.540   28.080    39.001  2.7707  39.806  2.6488  -0.8049164     3.833189 
1 1 1 10  14  16 o 51.782  1.9863  363.313   27.439    357.717   39.039    368.777   38.576    51.379  2.8479  52.186  2.7697  -0.8069305     3.972618 
1 1 1 10  14  17 o 18.786  2.3917  49.134    11.507    61.875    16.877    38.065    15.731    21.162  3.0669  16.410  3.6707  4.751474       4.783342 
1 1 1 10  14  18 o 30.019  2.0199  123.067   16.039    127.548   22.838    118.706   22.531    30.570  2.8210  29.468  2.8918  1.101816       4.039892 
1 1 1 10  14  19 o 35.884  2.0069  175.894   19.096    165.491   27.155    186.070   26.858    34.802  2.9406  36.965  2.7321  -2.162273      4.013888 
1 1 1 10  14  20 o 49.977  2.0262  340.701   26.968    318.891   38.063    362.683   38.213    48.338  2.9541  51.617  2.7742  -3.278996      4.052466 
1 1 1 10  14  21 o 61.885  2.1154  522.408   35.063    523.904   49.876    520.946   49.303    61.968  3.0049  61.802  2.9784  0.1651573      4.230870 
1 1 1 10  14  22 f 24.015  2.3032  80.459    14.425    83.451    20.830    77.702    19.996    24.449  3.2622  23.581  3.2523  0.8677521      4.606475 
1 1 1 10  14  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  14  24 o 46.169  2.1027  295.274   25.823    275.985   36.388    314.844   36.652    44.597  3.0648  47.741  2.8797  -3.144394      4.205481 
1 1 1 10  14  25 o 65.434  2.2138  595.674   38.798    592.002   54.992    599.313   54.747    65.220  3.1480  65.648  3.1135  -0.4284821     4.427612 
1 1 1 10  14  26 o 28.193  2.3358  113.403   17.193    105.155   24.951    120.860   23.725    27.094  3.5215  29.292  3.0696  -2.198074      4.671547 
1 1 1 10  14  27 o 26.271  2.4988  99.913    16.968    86.633    24.093    112.982   23.901    24.355  3.8188  28.187  3.2237  -3.831867      4.997559 
1 1 1 10  14  28 o 16.920  3.0647  43.526    14.047    50.680    20.074    36.662    19.663    18.323  4.1824  15.518  4.4807  2.804542       6.129348 
1 1 1 10  14  29 o 17.777  3.0442  48.644    14.337    46.293    20.928    50.722    19.680    17.284  4.4827  18.269  4.1200  -0.9849072     6.088378 
1 1 1 10  14  30 o 21.380  2.8670  69.576    15.810    66.593    21.932    72.804    22.813    20.885  4.0669  21.876  4.0423  -0.9910927     5.734086 
1 1 1 10  15  0  o 192.450 3.8300  4986.54   197.421   4927.05   278.456   5046.67   279.940   191.292 5.4346  193.607 5.3983  -2.315094      7.660066 
1 1 1 10  15  1  o 102.468 2.4384  1409.96   66.892    1451.04   94.235    1368.23   94.968    103.977 3.3837  100.958 3.5119  3.018814       4.876780 
1 1 1 10  15  2  o 87.596  2.2236  1029.62   52.170    1025.14   73.433    1034.19   74.130    87.404  3.1367  87.788  3.1526  -0.3842926     4.447209 
1 1 1 10  15  3  o 167.100 3.4040  3758.25   152.350   3769.75   215.105   3746.69   215.809   167.359 4.7986  166.841 4.8293  0.5180206      6.807936 
1 1 1 10  15  4  o 93.037  2.3032  1162.11   57.391    1144.54   80.945    1179.88   81.382    92.328  3.2731  93.745  3.2411  -1.416901      4.606323 
1 1 1 10  15  5  o 101.226 2.4343  1376.69   65.996    1352.25   93.274    1401.19   93.390    100.324 3.4711  102.129 3.4140  -1.804504      4.868677 
1 1 1 10  15  6  o 24.535  2.0962  82.331    13.367    94.567    19.008    70.362    18.800    26.404  2.7271  22.667  3.1843  3.736557       4.192456 
1 1 1 10  15  7  o 104.591 2.5177  1471.43   70.532    1473.49   99.920    1469.39   99.576    104.663 3.5642  104.519 3.5569  0.1450348      5.035402 
1 1 1 10  15  8  o 135.509 2.9337  2476.26   106.465   2432.43   150.700   2519.94   150.428   134.303 4.1893  136.715 4.1079  -2.412689      5.867301 
1 1 1 10  15  9  o 73.724  2.1569  730.967   42.589    740.776   60.522    721.344   59.943    74.214  3.0446  73.233  3.0559  0.9810486      4.313730 
1 1 1 10  15  10 o 24.258  2.0627  80.315    13.129    79.600    18.760    81.001    18.379    24.144  2.9632  24.373  2.8703  -0.2290001     4.125420 
1 1 1 10  15  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  15  12 o 54.920  1.9919  407.462   29.198    404.088   41.588    410.741   41.002    54.689  2.8489  55.150  2.7847  -0.4602013     3.983828 
1 1 1 10  15  13 o 92.804  2.4048  1165.08   59.774    1183.42   84.952    1147.11   84.121    93.530  3.3911  92.078  3.4108  1.451614       4.809659 
1 1 1 10  15  14 o 67.617  2.1147  617.942   38.294    610.653   54.423    625.089   53.893    67.216  3.0229  68.019  2.9581  -0.8030472     4.229455 
1 1 1 10  15  15 o 61.517  2.0521  511.666   33.810    510.744   48.083    512.568   47.550    61.458  2.9209  61.575  2.8831  -0.1172028     4.104145 
1 1 1 10  15  16 o 55.424  2.0503  416.705   30.322    431.688   43.262    402.237   42.511    56.412  2.8726  54.436  2.9263  1.976460       4.100680 
1 1 1 10  15  17 f 57.320  2.0630  446.405   31.563    421.509   44.803    470.937   44.473    55.668  3.0160  58.972  2.8155  -3.303925      4.125972 
1 1 1 10  15  18 o 77.711  2.2415  821.770   46.656    819.646   66.131    823.875   65.832    77.607  3.1814  77.816  3.1585  -0.2087860     4.482999 
1 1 1 10  15  19 o 37.745  2.0553  195.110   20.526    217.281   29.264    173.639   28.798    39.910  2.7544  35.580  3.0514  4.330574       4.110664 
1 1 1 10  15  20 o 59.482  2.1282  483.957   33.822    468.358   48.075    499.243   47.590    58.467  3.0807  60.497  2.9369  -2.030190      4.256361 
1 1 1 10  15  21 o 29.129  2.2234  117.591   17.015    129.695   24.478    106.275   23.668    30.631  3.0229  27.627  3.2614  3.003899       4.446843 
1 1 1 10  15  22 o 23.642  3.3913  78.787    20.860    0.0000    0.0000    78.787    20.860    ?       ?       23.642  3.3913  ?              ?        
1 1 1 10  15  23 o 22.211  2.5929  70.963    14.678    88.370    21.154    54.803    20.383    25.057  3.2269  19.365  4.0594  5.692167       5.185758 
1 1 1 10  15  24 o 45.139  2.1541  284.179   25.883    280.674   36.906    287.571   36.310    44.837  3.0920  45.441  3.0001  -0.6034470     4.308257 
1 1 1 10  15  25 o 46.299  2.1474  299.906   26.476    290.684   37.220    309.351   37.668    45.555  3.0682  47.042  3.0051  -1.487106      4.294755 
1 1 1 10  15  26 o 18.318  2.8936  50.121    13.838    52.217    19.835    48.133    19.316    18.705  4.0743  17.930  4.1100  0.7748909      5.787211 
1 1 1 10  15  27 o 11.582  2.9252  17.094    11.701    10.920    16.333    23.603    16.771    10.360  4.0539  12.805  4.2181  -2.445363      5.850350 
1 1 1 10  15  28 o 30.122  2.4317  131.510   19.185    121.286   27.359    141.402   26.910    28.837  3.6220  31.406  3.2458  -2.568766      4.863489 
1 1 1 10  15  29 o 6.6958  3.1738  -15.7729  15.245    -15.7729  15.245    0.0000    0.0000    6.6958  3.1738  ?       ?       ?              ?        
1 1 1 10  16  0  o 92.997  2.3013  1160.76   57.317    1135.68   80.652    1186.35   81.471    91.981  3.2736  94.013  3.2354  -2.032288      4.602622 
1 1 1 10  16  1  o 105.431 2.4171  1492.58   68.256    1482.47   96.076    1502.88   96.986    105.071 3.4139  105.791 3.4227  -0.7201309     4.834203 
1 1 1 10  16  2  o 87.087  2.2350  1018.50   52.121    1037.85   73.422    998.850   74.004    87.924  3.1177  86.250  3.2033  1.673523       4.470027 
1 1 1 10  16  3  o 171.606 3.4998  3970.96   160.846   3893.68   226.976   4048.91   227.968   169.920 4.9871  173.292 4.9114  -3.372147      6.999505 
1 1 1 10  16  4  o 61.625  1.9798  509.884   32.675    500.223   46.205    519.549   46.214    61.039  2.8261  62.210  2.7735  -1.170830      3.959682 
1 1 1 10  16  5  o 189.966 3.8674  4883.90   196.780   4846.72   278.119   4921.18   278.459   189.236 5.4870  190.697 5.4517  -1.460938      7.734872 
1 1 1 10  16  6  o 48.112  1.9367  311.954   24.848    302.707   35.054    321.293   35.228    47.389  2.7737  48.835  2.7038  -1.445518      3.873487 
1 1 1 10  16  7  o 136.058 2.9774  2499.35   108.506   2505.00   153.616   2493.73   153.285   136.211 4.2105  135.904 4.2109  0.3068542      5.954847 
1 1 1 10  16  8  o 35.376  1.9175  169.481   17.987    156.775   25.445    182.173   25.430    34.027  2.8171  36.724  2.6021  -2.697025      3.834976 
1 1 1 10  16  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  16  10 o 59.158  2.0106  471.378   31.856    477.743   45.365    465.186   44.745    59.552  2.8440  58.765  2.8428  0.7876549      4.021148 
1 1 1 10  16  11 o 8.1735  2.3086  4.1354    7.6738    6.9464    11.220    1.6646    10.519    8.7954  3.3825  7.5515  3.1430  1.243833       4.617297 
1 1 1 10  16  12 f 65.676  2.0892  582.354   36.738    604.155   52.366    561.223   51.555    66.892  2.9227  64.460  2.9860  2.431931       4.178319 
1 1 1 10  16  13 o 13.962  2.3753  27.745    9.8360    7.5625    14.233    46.196    13.608    9.6484  3.7819  18.276  2.8749  -8.627894      4.750547 
1 1 1 10  16  14 o 47.781  1.9994  309.990   25.446    295.928   36.161    323.784   35.815    46.686  2.9061  48.876  2.7469  -2.190052      3.998856 
1 1 1 10  16  15 o 37.656  1.9842  192.931   19.861    191.388   28.425    194.402   27.761    37.499  2.8515  37.813  2.7600  -0.3147888     3.968395 
1 1 1 10  16  16 o 28.503  2.0954  111.291   15.759    114.828   22.559    107.919   22.023    28.952  2.9502  28.053  2.9764  0.8991394      4.190812 
1 1 1 10  16  17 o 44.440  2.0440  269.504   24.175    259.522   34.431    279.210   33.951    43.604  2.9657  45.277  2.8135  -1.672688      4.087930 
1 1 1 10  16  18 o 46.526  2.0413  295.615   25.310    300.496   35.982    290.835   35.609    46.910  2.8776  46.141  2.8959  0.7685776      4.082534 
1 1 1 10  16  19 o 39.029  2.0954  209.112   21.660    232.303   31.070    187.185   30.211    41.186  2.8337  36.872  3.0874  4.314190       4.190722 
1 1 1 10  16  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  16  21 o 22.555  2.5237  72.301    14.727    76.040    20.916    68.624    20.741    23.177  3.4764  21.933  3.6594  1.243822       5.047434 
1 1 1 10  16  22 o 23.664  2.5194  80.540    15.263    94.141    21.474    66.654    21.698    25.885  3.1630  21.443  3.9223  4.441935       5.038794 
1 1 1 10  16  23 o 31.528  2.2616  140.052   18.766    152.357   26.592    127.845   26.487    32.992  3.0435  30.063  3.3461  2.928398       4.523161 
1 1 1 10  16  24 o 10.038  2.6442  6.6982    11.039    -10.7391  15.929    22.809    15.311    7.4511  3.4356  12.624  4.0204  -5.173132      5.288408 
1 1 1 10  16  25 o 14.881  2.9698  33.318    12.584    25.628    18.319    40.188    17.315    13.349  4.4091  16.413  3.9799  -3.063376      5.939625 
1 1 1 10  16  26 o 32.872  2.3541  154.349   20.421    159.797   28.727    148.783   29.034    33.516  3.2404  32.227  3.4155  1.288357       4.708101 
1 1 1 10  16  27 o 8.9123  2.7080  1.0306    11.688    4.9198    16.904    -2.5312   16.177    9.4852  3.9691  8.3394  3.6850  1.145750       5.416035 
1 1 1 10  16  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  17  0  o 54.361  1.9087  397.116   27.742    401.403   39.093    392.767   39.374    54.693  2.6686  54.030  2.7296  0.6626434      3.817333 
1 1 1 10  17  1  o 50.735  1.8945  346.055   25.662    325.593   36.070    367.028   36.517    49.174  2.7496  52.296  2.6070  -3.122368      3.788981 
1 1 1 10  17  2  o 76.676  2.1264  790.256   43.643    815.494   61.386    764.461   62.061    77.920  2.9413  75.433  3.0716  2.487373       4.252742 
1 1 1 10  17  3  o 141.224 3.0061  2689.03   113.686   2613.26   160.228   2765.85   161.329   139.210 4.2971  143.238 4.2050  -4.027390      6.012271 
1 1 1 10  17  4  o 90.252  2.3138  1095.79   55.931    1101.38   78.945    1090.16   79.254    90.485  3.2573  90.019  3.2870  0.4656982      4.627543 
1 1 1 10  17  5  o 113.086 2.6394  1724.07   79.933    1683.18   112.808   1765.31   113.278   111.732 3.7694  114.441 3.6955  -2.708366      5.278764 
1 1 1 10  17  6  o 57.454  1.9797  443.947   30.460    432.785   42.932    455.260   43.222    56.724  2.8257  58.183  2.7734  -1.458862      3.959347 
1 1 1 10  17  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  17  8  o 71.384  2.1067  686.762   40.279    689.451   57.078    684.094   56.849    71.523  2.9794  71.245  2.9791  0.2783890      4.213320 
1 1 1 10  17  9  o 59.070  2.0329  470.424   32.163    475.677   45.680    465.261   45.292    59.397  2.8713  58.742  2.8786  0.6548729      4.065769 
1 1 1 10  17  10 o 51.584  1.9703  359.944   27.119    360.665   38.653    359.244   38.058    51.632  2.8055  51.537  2.7672  0.9500122E-01  3.940583 
1 1 1 10  17  11 o 37.116  1.9623  187.070   19.346    177.384   27.311    196.825   27.408    36.133  2.8449  38.099  2.7034  -1.965233      3.924510 
1 1 1 10  17  12 o 56.053  2.0413  425.201   30.572    445.537   43.653    405.627   42.828    57.415  2.8386  54.690  2.9344  2.725033       4.082641 
1 1 1 10  17  13 o 29.368  2.0659  118.364   15.950    108.134   22.909    127.986   22.219    28.083  3.0971  30.653  2.7350  -2.569145      4.131871 
1 1 1 10  17  14 o 21.928  2.2336  66.464    12.725    71.044    18.362    62.233    17.650    22.679  3.1042  21.177  3.2125  1.502409       4.467247 
1 1 1 10  17  15 o 39.621  2.0255  214.023   21.321    228.402   30.374    200.057   29.934    40.959  2.7852  38.284  2.9417  2.674767       4.051062 
1 1 1 10  17  16 o 15.018  2.6869  32.061    10.796    33.725    15.866    30.626    14.733    15.372  3.8591  14.663  3.7395  0.7083807      5.373719 
1 1 1 10  17  17 o 45.915  2.0935  288.520   25.607    289.903   36.476    287.175   35.957    46.019  2.9752  45.810  2.9461  0.2083855      4.186976 
1 1 1 10  17  18 o 49.133  2.1227  331.353   27.798    339.003   39.444    323.803   39.181    49.708  2.9762  48.557  3.0276  1.151031       4.245490 
1 1 1 10  17  19 o 34.919  3.0438  168.624   28.184    0.0000    0.0000    168.624   28.184    ?       ?       34.919  3.0438  ?              ?        
1 1 1 10  17  20 o 25.673  2.4309  92.941    16.158    107.767   23.346    79.311    22.386    27.752  3.1994  23.594  3.6608  4.157732       4.861835 
1 1 1 10  17  21 o 10.733  2.7468  13.648    10.380    8.0824    14.971    18.802    14.405    9.7256  3.8576  11.741  3.9113  -2.015293      5.493534 
1 1 1 10  17  22 o 12.852  2.8835  22.776    11.706    32.945    16.528    12.542    16.580    14.932  4.0362  10.773  4.1192  4.159247       5.767048 
1 1 1 10  17  23 o 15.870  3.0081  37.216    13.276    48.005    19.380    27.678    18.222    17.949  4.1185  13.790  4.3854  4.159306       6.016110 
1 1 1 10  17  24 o 8.8370  2.5342  -1.1490   10.766    -18.8977  15.386    15.881    15.071    6.5596  3.1316  11.114  3.9852  -4.554836      5.068366 
1 1 1 10  17  25 o 34.928  2.3935  174.264   22.052    190.364   31.698    159.164   30.698    36.574  3.2702  33.282  3.4958  3.291985       4.786957 
1 1 1 10  17  26 o 24.708  2.7662  91.942    17.409    76.901    25.314    105.440   23.981    22.437  4.3693  26.980  3.3936  -4.542473      5.532416 
1 1 1 10  17  27 o 25.503  7.3345  125.978   52.783    0.0000    0.0000    125.978   52.783    ?       ?       25.503  7.3345  ?              ?        
1 1 1 10  18  0  o 57.644  1.9435  446.530   29.986    465.101   42.329    427.822   42.484    58.852  2.6853  56.437  2.8104  2.415020       3.887048 
1 1 1 10  18  1  o 45.515  1.8965  279.173   23.012    270.828   32.349    287.723   32.742    44.821  2.7073  46.208  2.6566  -1.387177      3.793000 
1 1 1 10  18  2  o 101.027 2.4277  1374.09   65.691    1358.52   92.467    1389.97   93.342    100.449 3.4368  101.606 3.4298  -1.157326      4.855420 
1 1 1 10  18  3  o 57.261  1.9412  440.851   29.768    446.579   41.923    435.025   42.277    57.638  2.7155  56.883  2.7748  0.7552071      3.882443 
1 1 1 10  18  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  18  5  o 31.323  3.7540  134.436   30.868    0.0000    0.0000    134.436   30.868    ?       ?       31.323  3.7540  ?              ?        
1 1 1 10  18  6  o 76.512  2.1737  789.939   44.474    734.357   62.639    846.439   63.155    73.779  3.1697  79.244  2.9754  -5.464790      4.347431 
1 1 1 10  18  7  o 45.674  1.9240  282.059   23.430    282.829   33.223    281.296   33.049    45.735  2.7244  45.612  2.7174  0.1234245      3.847947 
1 1 1 10  18  8  o 43.332  1.9527  254.532   22.494    274.562   31.892    234.703   31.732    45.055  2.6544  41.609  2.8646  3.445988       3.905399 
1 1 1 10  18  9  o 25.358  2.1551  89.365    13.999    69.910    19.874    108.525   19.722    22.470  3.4091  28.246  2.6373  -5.776215      4.310173 
1 1 1 10  18  10 o 80.653  2.2771  881.199   49.190    887.143   69.742    875.316   69.389    80.924  3.2176  80.381  3.2229  0.5427780      4.554115 
1 1 1 10  18  11 o 39.611  1.9847  213.281   20.902    203.281   29.557    223.285   29.562    38.663  2.8747  40.558  2.7372  -1.895054      3.969412 
1 1 1 10  18  12 o 19.763  2.4475  55.261    12.370    45.566    17.777    64.359    17.222    17.945  3.8160  21.580  3.0657  -3.635031      4.894965 
1 1 1 10  18  13 o 48.980  2.0517  326.396   26.792    326.901   38.256    325.909   37.534    49.010  2.9276  48.950  2.8754  0.6094360E-01  4.103500 
1 1 1 10  18  14 o 18.316  2.5818  49.368    12.300    25.563    17.464    72.794    17.325    13.649  4.2876  22.983  2.8773  -9.333914      5.163594 
1 1 1 10  18  15 o 11.913  2.7838  18.814    10.336    17.305    15.153    20.127    14.136    11.662  4.0106  12.164  3.8618  -0.5024195     5.567595 
1 1 1 10  18  16 o 25.177  2.3385  88.247    15.384    90.604    22.113    86.035    21.416    25.506  3.3151  24.849  3.2992  0.6571445      4.677045 
1 1 1 10  18  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  18  18 o 37.787  2.1951  198.322   21.931    180.352   31.137    216.014   30.894    36.008  3.2639  39.566  2.9361  -3.558540      4.390172 
1 1 1 10  18  19 o 19.175  2.8510  54.504    14.224    40.286    20.389    67.986    19.854    16.508  4.4915  21.842  3.5128  -5.333710      5.702036 
1 1 1 10  18  20 o 18.493  2.7621  50.004    13.283    60.427    19.155    40.348    18.435    20.474  3.6255  16.511  4.1680  3.962921       5.524162 
1 1 1 10  18  21 o 44.758  2.2154  280.502   26.380    272.520   37.372    288.430   37.243    44.087  3.1862  45.428  3.0790  -1.340504      4.430836 
1 1 1 10  18  22 o 19.112  2.9032  54.466    14.437    61.388    20.321    47.411    20.515    20.468  3.8478  17.755  4.3483  2.712860       5.806309 
1 1 1 10  18  23 o 14.984  3.0514  32.748    13.628    47.824    19.610    18.664    18.953    17.853  4.1753  12.115  4.4510  5.737463       6.102820 
1 1 1 10  18  24 o 11.724  2.8647  13.499    12.721    34.498    18.354    -5.9123   17.647    15.083  4.3214  8.3645  3.7619  6.718653       5.729424 
1 1 1 10  18  25 o 24.971  4.0369  93.455    26.079    93.455    26.079    0.0000    0.0000    24.971  4.0369  ?       ?       ?              ?        
1 1 1 10  19  0  o 116.091 2.6348  1818.13   81.905    1849.43   115.208   1786.15   116.465   117.113 3.6727  115.069 3.7787  2.043892       5.269503 
1 1 1 10  19  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  19  2  o 20.109  4.4822  56.947    23.525    0.0000    0.0000    56.947    23.525    ?       ?       20.109  4.4822  ?              ?        
1 1 1 10  19  3  o 14.554  2.4522  29.786    9.4742    34.721    13.416    24.877    13.381    15.754  3.2858  13.354  3.6409  2.400128       4.904299 
1 1 1 10  19  4  o 54.476  1.9536  400.250   28.454    393.771   40.070    406.840   40.413    53.994  2.7801  54.958  2.7454  -0.9639931     3.907206 
1 1 1 10  19  5  f 96.609  2.4088  1262.30   62.323    1236.63   87.908    1288.23   88.370    95.614  3.4326  97.604  3.3802  -1.989311      4.817523 
1 1 1 10  19  6  o 45.859  1.9480  284.694   23.810    276.333   33.623    293.106   33.722    45.175  2.7924  46.544  2.7168  -1.369076      3.895960 
1 1 1 10  19  7  o 77.537  2.1953  813.143   45.578    787.830   64.250    838.785   64.667    76.313  3.1433  78.762  3.0654  -2.448532      4.390512 
1 1 1 10  19  8  o 11.790  2.6037  18.765    9.1265    19.512    12.788    17.990    13.029    11.962  3.6546  11.618  3.7096  0.3438253      5.207398 
1 1 1 10  19  9  o 57.921  2.0591  454.527   31.880    444.083   45.146    464.915   45.025    57.211  2.9562  58.631  2.8670  -1.420013      4.118134 
1 1 1 10  19  10 o 27.014  2.1268  100.054   15.101    93.109    21.154    107.270   21.563    26.028  3.0950  27.999  2.9181  -1.970970      4.253701 
1 1 1 10  19  11 o 76.014  2.2415  785.117   45.635    779.457   64.684    790.727   64.393    75.735  3.1887  76.294  3.1511  -0.5585327     4.482964 
1 1 1 10  19  12 o 45.936  2.0652  288.112   25.223    269.742   35.907    306.006   35.440    44.451  3.0340  47.421  2.8026  -2.970158      4.130343 
1 1 1 10  19  13 o 32.152  2.1529  142.017   18.313    139.446   26.044    144.531   25.754    31.849  3.0920  32.454  2.9965  -0.6055775     4.305754 
1 1 1 10  19  14 o 34.849  2.1526  167.171   19.862    159.450   28.307    174.659   27.877    34.021  3.1419  35.678  2.9435  -1.656654      4.305270 
1 1 1 10  19  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  19  16 f 16.680  2.8587  40.352    12.632    39.398    17.513    41.385    18.237    16.481  4.0063  16.879  4.0790  -0.3985310     5.717407 
1 1 1 10  19  17 o 15.687  2.9640  35.908    12.753    31.234    17.885    40.742    18.190    14.681  4.2832  16.694  4.0983  -2.012506      5.928066 
1 1 1 10  19  18 o 8.6505  2.5361  -0.1895   10.214    -10.2004  13.908    11.529    15.047    6.9348  3.2020  10.366  3.9336  -3.431339      5.072106 
1 1 1 10  19  19 o 38.474  2.2501  208.250   22.837    186.819   32.640    228.802   31.963    36.404  3.3862  40.544  2.9639  -4.139824      4.500123 
1 1 1 10  19  20 o 30.050  2.4383  128.238   19.117    147.730   27.621    110.318   26.484    32.368  3.2290  27.732  3.6545  4.636248       4.876646 
1 1 1 10  19  21 o 30.529  2.3926  132.515   19.231    132.868   27.530    132.178   26.875    30.549  3.4234  30.510  3.3434  0.3920746E-01  4.785179 
1 1 1 10  19  22 o 13.039  3.1419  23.585    13.263    29.336    19.217    18.353    18.328    14.103  4.5054  11.974  4.3803  2.129064       6.283762 
1 1 1 10  19  23 o 28.538  2.6054  119.081   19.331    108.656   27.718    128.955   26.975    27.152  3.9252  29.925  3.4272  -2.772837      5.210844 
1 1 1 10  19  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  20  0  o 62.564  1.9975  527.360   33.458    541.446   47.092    513.001   47.546    63.415  2.7725  61.714  2.8764  1.700775       3.994996 
1 1 1 10  20  1  o 23.625  2.0755  76.602    12.797    70.218    18.236    82.794    17.961    22.611  3.0922  24.640  2.7694  -2.028959      4.151056 
1 1 1 10  20  2  o 67.497  2.0638  614.328   37.306    600.823   52.413    628.196   53.112    66.743  2.9319  68.251  2.9053  -1.507797      4.127571 
1 1 1 10  20  3  o 39.417  1.9228  210.475   20.172    214.319   28.440    206.584   28.615    39.786  2.6844  39.047  2.7536  0.7390251      3.845589 
1 1 1 10  20  4  o 61.980  2.0267  518.527   33.644    511.638   47.281    525.592   47.883    61.563  2.8674  62.397  2.8650  -0.8342972     4.053395 
1 1 1 10  20  5  o 76.053  2.1805  782.410   44.416    788.749   62.590    775.980   63.039    76.369  3.0598  75.737  3.1075  0.6322174      4.361091 
1 1 1 10  20  6  o 60.884  2.0611  501.172   33.610    493.431   47.471    508.952   47.592    60.409  2.9339  61.359  2.8958  -0.9502525     4.122281 
1 1 1 10  20  7  o 27.905  2.0691  106.868   15.155    96.659    21.597    116.772   21.272    26.539  3.0964  29.271  2.7453  -2.731825      4.138133 
1 1 1 10  20  8  o 21.566  2.3694  65.238    13.032    79.089    18.494    51.574    18.368    23.993  2.9392  19.139  3.7171  4.853718       4.738719 
1 1 1 10  20  9  o 45.505  2.0291  281.711   24.595    291.484   34.865    272.029   34.701    46.305  2.8245  44.706  2.9139  1.599251       4.058157 
1 1 1 10  20  10 o 35.758  2.1009  174.803   19.937    177.155   28.146    172.435   28.246    36.007  2.9441  35.508  2.9979  0.4991493      4.201804 
1 1 1 10  20  11 o 17.837  2.5696  47.080    12.150    72.639    17.120    21.147    17.245    22.956  2.8452  12.717  4.2796  10.23935       5.139134 
1 1 1 10  20  12 o 19.206  2.5886  52.295    12.823    47.962    17.970    56.791    18.304    18.346  3.7826  20.067  3.5347  -1.720940      5.177111 
1 1 1 10  20  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  20  14 o 14.313  3.0228  29.194    12.470    29.843    17.970    28.591    17.318    14.458  4.3134  14.169  4.2360  0.2890863      6.045578 
1 1 1 10  20  15 o 22.876  2.6087  75.006    15.285    62.503    21.654    87.423    21.579    20.798  4.0328  24.953  3.3103  -4.155779      5.217418 
1 1 1 10  20  16 o 26.313  2.4287  97.733    16.681    91.199    23.291    104.614   23.901    25.362  3.5238  27.263  3.3432  -1.900509      4.857355 
1 1 1 10  20  17 o 32.986  2.3218  153.495   20.076    134.044   28.441    172.812   28.343    30.766  3.5143  35.206  3.0353  -4.439865      4.643675 
1 1 1 10  20  18 o 21.003  2.8690  65.226    15.507    54.621    22.132    75.451    21.732    19.122  4.4112  22.884  3.6695  -3.762775      5.737921 
1 1 1 10  20  19 o 29.126  2.4778  121.739   18.644    100.593   26.320    143.035   26.413    26.367  3.8395  31.886  3.1331  -5.518087      4.955604 
1 1 1 10  20  20 o 14.494  3.0941  30.481    13.420    20.483    18.632    41.259    19.345    12.428  4.4337  16.561  4.3169  -4.133533      6.188164 
1 1 1 10  20  21 o 9.6722  2.7638  3.2062    11.927    -9.6017   16.449    17.403    17.318    7.6823  3.5234  11.662  4.2591  -3.979886      5.527626 
1 1 1 10  20  22 o 35.682  3.4298  183.343   32.376    183.343   32.376    0.0000    0.0000    35.682  3.4298  ?       ?       ?              ?        
1 1 1 10  20  23 o 21.576  2.9620  71.513    16.482    68.885    23.773    73.946    22.871    21.078  4.3549  22.075  4.0160  -0.9973602     5.923987 
1 1 1 10  21  0  o 83.544  2.2203  943.069   49.682    940.577   69.929    945.609   70.598    83.435  3.1291  83.653  3.1508  -0.2177429     4.440581 
1 1 1 10  21  1  o 50.113  1.9255  339.682   25.728    322.864   36.132    356.981   36.644    48.841  2.7733  51.384  2.6717  -2.542297      3.850913 
1 1 1 10  21  2  f 65.271  2.0454  575.606   35.750    585.869   50.331    565.157   50.787    65.866  2.8529  64.676  2.9317  1.189796       4.090747 
1 1 1 10  21  3  o 57.479  1.9915  446.764   30.600    431.742   42.997    462.182   43.560    56.458  2.8525  58.500  2.7800  -2.041710      3.983093 
1 1 1 10  21  4  o 13.197  2.6375  23.746    10.017    32.573    14.550    15.793    13.811    15.182  3.6276  11.212  3.8296  3.970201       5.274969 
1 1 1 10  21  5  o 99.085  2.4715  1334.64   65.587    1311.89   92.422    1357.72   93.089    98.226  3.5128  99.943  3.4774  -1.716209      4.942908 
1 1 1 10  21  6  o 70.387  2.1638  671.937   40.783    688.342   57.606    655.453   57.745    71.260  3.0181  69.513  3.1014  1.746613       4.327552 
1 1 1 10  21  7  o 77.745  2.2346  821.385   46.523    838.399   65.691    804.264   65.897    78.566  3.1216  76.923  3.1983  1.642784       4.469183 
1 1 1 10  21  8  o 8.4485  2.4616  2.8566    9.0691    -0.1505   12.902    5.7938    12.751    7.9712  3.4070  8.9259  3.5538  -0.9547195     4.923118 
1 1 1 10  21  9  o 23.086  2.3474  74.243    14.072    69.488    19.897    79.002    19.904    22.300  3.4419  23.872  3.1928  -1.571640      4.694735 
1 1 1 10  21  10 o 19.983  2.6104  56.560    13.402    67.901    19.343    46.087    18.588    22.029  3.3867  17.938  3.9733  4.090345       5.220809 
1 1 1 10  21  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  21  12 o 42.129  2.1522  244.513   24.111    237.726   34.231    251.195   33.966    41.524  3.1001  42.733  2.9862  -1.209377      4.304453 
1 1 1 10  21  13 o 23.167  2.5829  76.179    15.451    68.619    21.581    84.130    22.132    21.906  3.8168  24.427  3.4811  -2.521027      5.165855 
1 1 1 10  21  14 o 26.758  2.4133  101.065   16.861    96.024    24.156    105.854   23.546    26.042  3.5561  27.475  3.2634  -1.432447      4.826527 
1 1 1 10  21  15 o 17.694  2.8081  46.538    13.886    19.706    19.484    74.231    19.794    12.503  4.5250  22.886  3.3265  -10.38345      5.616152 
1 1 1 10  21  16 o 14.224  2.7976  28.095    12.602    7.0877    17.925    48.629    17.722    10.176  4.1554  18.271  3.7469  -8.095098      5.595196 
1 1 1 10  21  17 o 6.9397  2.2740  -12.4211  10.236    -5.2152   14.425    -19.7287  14.527    7.6278  3.4181  6.2516  3.0001  1.376179       4.547981 
1 1 1 10  21  18 o 34.986  2.3906  173.314   22.108    181.384   31.510    165.490   31.026    35.827  3.3214  34.145  3.4393  1.681702       4.781257 
1 1 1 10  21  19 o 20.668  2.9637  63.805    15.846    73.260    22.612    54.679    22.213    22.331  3.9236  19.006  4.4430  3.324532       5.927495 
1 1 1 10  21  20 o 26.602  2.7118  103.774   18.598    88.598    25.951    119.797   26.666    24.401  4.1171  28.803  3.5305  -4.401342      5.423566 
1 1 1 10  21  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  22  0  o 31.445  2.0295  134.956   16.823    150.062   23.921    120.175   23.662    33.232  2.7110  29.659  3.0208  3.573740       4.058934 
1 1 1 10  22  1  o 24.758  2.1181  84.128    13.755    85.870    19.371    82.357    19.535    25.030  2.9457  24.486  3.0443  0.5437450      4.236172 
1 1 1 10  22  2  o 119.609 2.7645  1951.48   88.563    1934.14   124.703   1969.12   125.798   119.073 3.9100  120.145 3.9091  -1.072639      5.528931 
1 1 1 10  22  3  f 20.973  2.3918  61.288    12.951    56.135    18.235    66.533    18.396    20.031  3.5277  21.916  3.2308  -1.885500      4.783582 
1 1 1 10  22  4  o 89.498  2.3432  1089.26   56.164    1103.44   79.170    1074.90   79.688    90.098  3.2806  88.898  3.3467  1.199432       4.686440 
1 1 1 10  22  5  o 36.693  2.0376  184.186   19.750    206.213   28.005    162.389   27.858    38.935  2.7021  34.451  3.0505  4.484196       4.075171 
1 1 1 10  22  6  o 59.047  2.0548  473.437   32.498    470.581   45.821    476.327   46.098    58.868  2.9060  59.226  2.9059  -0.3584137     4.109663 
1 1 1 10  22  7  o 63.098  2.1325  542.042   36.041    538.968   50.945    545.123   50.994    62.916  3.0231  63.279  3.0086  -0.3632126     4.265069 
1 1 1 10  22  8  o 26.127  2.3940  95.695    15.982    118.518   22.892    73.994    22.322    29.351  2.9519  22.904  3.7699  6.447020       4.788045 
1 1 1 10  22  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  22  10 o 37.715  2.1544  196.054   21.569    203.835   30.756    188.523   30.256    38.469  3.0088  36.961  3.0843  1.507687       4.308857 
1 1 1 10  22  11 o 21.369  2.6090  65.083    14.392    64.868    20.423    65.294    20.286    21.326  3.7101  21.411  3.6692  -0.8513069E-01 5.218059 
1 1 1 10  22  12 o 30.929  2.2740  133.601   18.536    125.919   26.118    141.397   26.311    29.989  3.3066  31.869  3.1225  -1.880440      4.547900 
1 1 1 10  22  13 o 29.978  2.3412  125.996   18.418    140.060   26.667    113.170   25.467    31.641  3.1901  28.316  3.4276  3.324450       4.682444 
1 1 1 10  22  14 o 17.735  2.8281  46.595    13.797    23.025    19.225    71.632    19.814    13.047  4.5156  22.424  3.4060  -9.376927      5.656138 
1 1 1 10  22  15 o 34.788  2.3272  170.952   21.282    150.955   30.122    190.881   30.072    32.624  3.5020  36.952  3.0660  -4.328358      4.654461 
1 1 1 10  22  16 o 12.411  3.0936  20.167    12.972    25.491    18.214    14.686    18.481    13.385  4.3951  11.438  4.3547  1.947317       6.187158 
1 1 1 10  22  17 o 27.399  2.6433  109.691   18.411    85.244    26.095    133.925   25.980    24.018  4.2098  30.781  3.1978  -6.763397      5.286633 
1 1 1 10  22  18 o 28.090  2.6509  114.832   19.129    93.083    26.635    138.004   27.492    25.087  4.1059  31.093  3.3542  -6.005997      5.301754 
1 1 1 10  22  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  23  0  o 33.941  2.0406  157.178   18.317    142.576   25.713    172.221   26.098    32.303  3.0063  35.579  2.7602  -3.276325      4.081236 
1 1 1 10  23  1  o 46.715  1.9831  296.450   24.695    289.984   34.755    303.043   35.097    46.194  2.8225  47.235  2.7864  -1.040836      3.966131 
1 1 1 10  23  2  o 29.342  2.0974  118.145   16.206    127.828   22.917    108.461   22.919    30.587  2.8293  28.096  3.0970  2.491606       4.194853 
1 1 1 10  23  3  o 32.589  2.0729  145.292   17.899    142.751   25.190    147.885   25.438    32.296  2.9443  32.882  2.9186  -0.5859299     4.145758 
1 1 1 10  23  4  o 66.749  2.1366  606.415   38.184    621.945   53.765    590.611   54.239    67.630  2.9681  65.868  3.0743  1.761887       4.273261 
1 1 1 10  23  5  o 57.137  2.0662  445.057   31.548    458.616   44.524    431.386   44.707    58.067  2.8627  56.206  2.9803  1.860905       4.132416 
1 1 1 10  23  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  23  7  o 19.416  3.8396  53.864    19.261    0.0000    0.0000    53.864    19.261    ?       ?       19.416  3.8396  ?              ?        
1 1 1 10  23  8  o 11.740  2.8567  17.520    11.107    11.593    16.147    22.844    15.304    10.665  4.0681  12.814  4.0117  -2.149054      5.713442 
1 1 1 10  23  9  o 27.268  2.4262  104.685   17.100    123.220   24.450    86.936    23.926    29.779  3.1112  24.756  3.7236  5.023516       4.852310 
1 1 1 10  23  10 o 10.152  2.7328  10.407    10.292    7.7261    13.934    13.625    15.268    9.4715  3.7327  10.833  3.9926  -1.361413      5.465683 
1 1 1 10  23  11 o 18.980  2.7551  52.780    13.545    63.445    19.120    42.038    19.190    21.076  3.5104  16.884  4.2472  4.192739       5.510159 
1 1 1 10  23  12 o 19.433  2.8518  55.207    14.380    43.995    19.866    67.545    20.840    17.219  4.3159  21.646  3.7290  -4.427391      5.703689 
1 1 1 10  23  13 o 29.578  2.3862  123.831   18.546    119.199   26.390    128.350   26.069    28.982  3.4684  30.174  3.2782  -1.192226      4.772463 
1 1 1 10  23  14 o 42.053  2.2899  248.234   25.588    255.354   36.376    241.261   36.000    42.672  3.2061  41.435  3.2704  1.237633       4.579743 
1 1 1 10  23  15 o 37.499  2.3568  198.807   23.355    181.713   32.786    216.420   33.279    35.772  3.4652  39.225  3.1952  -3.453129      4.713521 
1 1 1 10  23  16 o 15.625  3.2769  36.984    14.733    34.339    21.179    39.463    20.508    15.126  4.7167  16.124  4.5502  -0.9974689     6.553776 
1 1 1 10  23  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  23  18 o 37.714  2.4451  206.068   24.394    198.229   34.757    213.678   34.247    36.919  3.5588  38.508  3.3538  -1.588146      4.890135 
1 1 1 10  24  0  o 21.038  2.5616  62.892    13.610    42.165    18.854    85.441    19.666    17.172  4.1461  24.903  3.0093  -7.730436      5.123118 
1 1 1 10  24  1  o 58.361  2.0433  463.462   31.853    439.332   44.854    488.014   45.244    56.770  2.9601  59.952  2.8175  -3.182255      4.086601 
1 1 1 10  24  2  o 10.366  2.6463  11.674    9.5835    6.5857    13.058    17.614    14.109    9.1349  3.6092  11.596  3.8712  -2.461432      5.292674 
1 1 1 10  24  3  o 25.417  3.9237  91.095    25.852    91.095    25.852    0.0000    0.0000    25.417  3.9237  ?       ?       ?              ?        
1 1 1 10  24  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  24  5  o 23.368  2.4222  76.659    14.707    75.160    20.860    78.139    20.738    23.122  3.4757  23.615  3.3746  -0.4928188     4.844453 
1 1 1 10  24  6  o 26.728  2.2927  99.632    16.077    99.243    22.690    100.025   22.784    26.674  3.2424  26.781  3.2423  -0.1064835     4.585413 
1 1 1 10  24  7  o 18.115  2.7816  47.713    13.139    40.313    18.614    55.063    18.550    16.618  4.1845  19.612  3.6661  -2.994221      5.563264 
1 1 1 10  24  8  o 27.665  2.4214  108.821   17.177    86.375    24.278    131.315   24.304    24.585  3.8102  30.745  2.9891  -6.160589      4.842801 
1 1 1 10  24  9  o 18.950  2.8583  52.528    14.068    49.851    19.933    55.185    19.859    18.426  4.1397  19.475  3.9424  -1.048447      5.716588 
1 1 1 10  24  10 o 15.314  3.0272  33.774    13.423    21.123    18.543    47.705    19.458    12.636  4.4313  17.992  4.1255  -5.356508      6.054456 
1 1 1 10  24  11 o 30.799  2.3485  133.882   19.043    131.163   27.397    136.424   26.489    30.448  3.4184  31.150  3.2213  -0.7017441     4.697080 
1 1 1 10  24  12 o 41.996  2.2668  247.122   25.300    241.978   35.358    252.520   36.218    41.548  3.2019  42.443  3.2095  -0.8956337     4.533593 
1 1 1 10  24  13 o 35.128  2.3821  175.062   21.960    151.844   30.892    198.782   31.224    32.620  3.5954  37.636  3.1257  -5.016243      4.764111 
1 1 1 10  24  14 f 47.387  2.3474  317.543   29.565    298.883   41.669    336.459   41.955    45.908  3.4131  48.865  3.2236  -2.957222      4.694748 
1 1 1 10  24  15 o 24.699  4.0660  90.374    25.962    90.374    25.962    0.0000    0.0000    24.699  4.0660  ?       ?       ?              ?        
1 1 1 10  24  16 o 10.155  2.9363  8.1895    12.667    9.8068    17.039    6.1914    18.939    10.240  4.0979  10.071  4.2065  0.1694880      5.872599 
1 1 1 10  25  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  25  1  o 59.417  4.0982  492.454   64.823    0.0000    0.0000    492.454   64.823    ?       ?       59.417  4.0982  ?              ?        
1 1 1 10  25  2  o 11.805  2.6309  15.016    11.028    34.093    15.662    -3.7373   15.529    15.394  3.8172  8.2159  3.6215  7.178483       5.261771 
1 1 1 10  25  3  o 12.090  2.8902  19.153    11.240    23.179    15.710    14.931    16.088    12.914  4.0682  11.266  4.1065  1.647445       5.780475 
1 1 1 10  25  4  f 13.620  2.8231  26.573    11.470    35.512    15.536    15.863    17.006    15.678  3.7501  11.562  4.2208  4.116138       5.646111 
1 1 1 10  25  5  o 35.561  2.1699  175.470   20.453    178.702   28.640    172.107   29.218    35.922  3.0042  35.199  3.1318  0.7233047      4.339745 
1 1 1 10  25  6  o 27.957  2.3246  109.848   16.973    97.216    23.800    122.920   24.211    26.226  3.4736  29.687  3.0901  -3.461199      4.649104 
1 1 1 10  25  7  o 30.695  2.3124  132.537   18.511    111.563   25.875    154.523   26.493    28.067  3.5193  33.322  3.0005  -5.254396      4.624770 
1 1 1 10  25  8  o 13.624  2.9719  26.554    12.203    19.164    17.527    33.507    17.001    12.154  4.3040  15.094  4.0991  -2.940613      5.943707 
1 1 1 10  25  9  o 16.239  3.0413  39.091    13.469    35.061    18.761    43.379    19.350    15.388  4.3554  17.090  4.2460  -1.702383      6.082602 
1 1 1 10  25  10 o 37.464  2.2940  197.115   22.738    180.944   31.784    214.066   32.542    35.823  3.3515  39.106  3.1331  -3.283241      4.587924 
1 1 1 10  25  11 o 46.525  2.2847  303.939   28.280    291.929   39.740    316.261   40.253    45.558  3.2786  47.491  3.1828  -1.933006      4.569418 
1 1 1 10  25  12 o 58.066  2.3240  475.137   35.975    453.578   50.451    497.440   51.314    56.677  3.3381  59.455  3.2344  -2.777561      4.648024 
1 1 1 10  25  13 o 26.698  7.1220  124.359   51.869    124.359   51.869    0.0000    0.0000    26.698  7.1220  ?       ?       ?              ?        
1 1 1 10  25  14 o 23.674  2.9276  84.243    17.853    76.683    25.154    91.917    25.343    22.460  4.3384  24.889  3.9322  -2.429127      5.855218 
1 1 1 10  26  0  o 24.645  2.3179  84.958    14.919    84.342    20.905    85.598    21.298    24.559  3.2585  24.732  3.2973  -0.1729450     4.635742 
1 1 1 10  26  1  o 29.702  2.2913  122.840   17.865    110.462   24.854    136.072   25.698    28.092  3.3704  31.312  3.1050  -3.219467      4.582598 
1 1 1 10  26  2  o 9.2700  2.5759  1.5222    10.248    -10.5685  13.517    17.869    15.717    6.7902  3.1428  11.750  4.0821  -4.959433      5.151747 
1 1 1 10  26  3  o 7.8523  2.4342  -3.0746   9.8297    -6.5999   13.369    1.0737    14.502    7.1771  3.2467  8.5274  3.6276  -1.350204      4.868312 
1 1 1 10  26  4  o 23.026  2.5540  75.985    15.150    84.421    21.341    67.413    21.511    24.441  3.3480  21.610  3.8579  2.830244       5.108072 
1 1 1 10  26  5  o 28.166  2.3721  111.948   17.531    113.287   24.459    110.535   25.140    28.372  3.2788  27.960  3.4288  0.4127369      4.744243 
1 1 1 10  26  6  o 17.310  2.9470  44.390    13.704    56.056    19.533    33.081    19.231    19.622  3.8541  14.999  4.4593  4.622591       5.894018 
1 1 1 10  26  7  o 25.158  2.5033  90.407    16.386    91.883    22.831    88.840    23.531    25.414  3.4427  24.902  3.6351  0.5120678      5.006567 
1 1 1 10  26  8  o 12.813  3.0416  22.609    12.412    18.425    17.458    26.886    17.651    11.972  4.2895  13.654  4.3133  -1.681887      6.083149 
1 1 1 10  26  9  o 9.5327  2.6681  0.6686    11.751    -18.8635  16.716    19.750    16.522    6.9689  3.3091  12.096  4.1863  -5.127522      5.336219 
1 1 1 10  26  10 o 26.028  2.6987  98.551    18.221    102.899   25.511    94.024    26.034    26.701  3.6637  25.354  3.9633  1.346645       5.397315 
1 1 1 10  26  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  26  12 o 24.074  2.9002  86.847    18.008    81.441    25.470    92.251    25.466    23.218  4.2523  24.931  3.9449  -1.712862      5.800343 
1 1 1 10  27  0  o 21.570  2.6876  67.732    14.663    44.942    20.328    92.450    21.170    17.452  4.3610  25.687  3.1425  -8.235128      5.375226 
1 1 1 10  27  1  o 40.021  2.1567  222.615   22.833    196.670   31.870    249.977   32.729    37.540  3.2001  42.503  2.8921  -4.962925      4.313360 
1 1 1 10  27  2  o 30.442  2.3114  130.142   18.545    125.945   26.014    134.479   26.444    29.924  3.3005  30.959  3.2367  -1.035166      4.622765 
1 1 1 10  27  3  o 29.583  2.3345  123.283   18.173    127.910   25.822    118.742   25.580    30.162  3.2476  29.004  3.3546  1.157944       4.669049 
1 1 1 10  27  4  o 53.598  2.1582  399.713   30.855    397.389   43.571    402.052   43.700    53.438  3.0568  53.758  3.0475  -0.3195877     4.316388 
1 1 1 10  27  5  o 9.4107  2.7555  4.6786    11.380    7.0080    15.454    1.9185    16.822    9.6303  3.8853  9.1911  3.9083  0.4391966      5.510967 
1 1 1 10  27  6  o 18.369  3.0687  50.348    14.850    48.306    20.557    52.577    21.476    17.981  4.3217  18.757  4.3578  -0.7757149     6.137380 
1 1 1 10  27  7  o 13.671  3.1840  26.463    13.784    19.116    19.603    33.649    19.386    12.314  4.5262  15.029  4.4793  -2.714514      6.367945 
1 1 1 10  27  8  f 38.304  2.3289  207.689   23.651    200.461   32.934    215.385   33.987    37.606  3.3031  39.001  3.2840  -1.395145      4.657822 
1 1 1 10  27  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  27  10 o 26.703  2.7493  105.519   19.058    106.651   26.387    104.285   27.554    26.933  3.7603  26.472  4.0117  0.4610577      5.498570 
1 1 1 10  28  0  o 8.3684  2.5051  -2.2685   10.555    9.6011    14.407    -16.0179  15.506    9.8691  3.8225  6.8677  3.2388  3.001410       5.010136 
1 1 1 10  28  1  o 29.505  2.4697  124.863   18.807    144.178   26.198    104.324   27.014    32.091  3.0859  26.919  3.8570  5.172386       4.939500 
1 1 1 10  28  2  o 13.338  2.8223  23.560    13.004    43.833    17.520    -1.3126   19.406    17.274  3.8812  9.4009  4.0984  7.873450       5.644559 
1 1 1 10  28  3  o 41.979  2.2368  246.861   24.962    241.535   35.174    252.267   35.431    41.507  3.1882  42.452  3.1382  -0.9456749     4.473584 
1 1 1 10  28  4  o 49.659  2.2235  345.896   29.382    360.700   41.227    330.614   41.887    50.813  3.0431  48.505  3.2427  2.307869       4.446984 
1 1 1 10  28  5  o 18.117  3.1044  49.614    15.088    38.585    21.191    60.954    21.487    15.969  4.6632  20.265  4.0993  -4.296726      6.208855 
1 1 1 10  28  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  28  7  o 10.987  3.0405  12.751    12.961    11.638    17.612    14.065    19.142    10.673  4.1996  11.301  4.3980  -0.6284609     6.081008 
1 1 1 10  29  0  o 23.936  2.6744  83.115    16.409    68.714    22.930    98.232    23.493    21.609  4.1120  26.264  3.4208  -4.655029      5.348862 
1 1 1 10  29  1  o 25.345  2.6603  93.497    17.317    107.101   24.342    79.558    24.640    27.429  3.3851  23.261  4.1048  4.167097       5.320519 
1 1 1 10  29  2  o 15.137  3.2048  33.448    14.099    26.057    18.859    42.811    21.228    13.484  4.4745  16.790  4.5892  -3.306023      6.409524 
1 1 1 10  29  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  29  4  o 22.324  2.9629  75.593    16.940    92.642    23.869    58.292    24.044    25.226  3.6377  19.422  4.6777  5.804468       5.925700 
1 1 1 10  29  5  o 28.174  2.5086  115.431   18.501    114.219   25.696    116.736   26.660    28.050  3.4960  28.298  3.5987  -0.2479115     5.017223 
1 1 1 10  30  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 10  30  1  o 18.983  3.0482  56.614    15.524    74.917    21.307    35.908    22.663    22.634  3.6379  15.332  4.8921  7.301848       6.096472 
1 1 1 10  30  2  f 17.839  3.1798  49.003    15.180    43.976    20.650    54.913    22.390    16.843  4.4941  18.835  4.4998  -1.991926      6.359657 
1 1 1 11  -37 13 o 14.164  3.3166  37.510    17.006    11.153    26.245    56.586    22.328    10.726  4.7186  17.602  4.6619  -6.876228      6.633138 
1 1 1 11  -37 14 o 30.821  2.9769  160.639   23.893    168.560   35.059    153.770   32.648    31.436  4.2746  30.206  4.1445  1.229948       5.953862 
1 1 1 11  -37 15 o 12.093  3.2249  18.014    14.619    47.111    24.951    2.8053    18.039    15.405  5.1480  8.7821  3.8854  6.622613       6.449707 
1 1 1 11  -37 16 o 15.338  3.3073  37.502    16.722    78.733    26.896    11.522    21.350    20.455  4.9602  10.221  4.3759  10.23485       6.614563 
1 1 1 11  -37 17 o 12.253  3.3046  26.314    16.634    5.3467    27.298    38.698    20.979    10.214  4.6282  14.293  4.7182  -4.079335      6.609185 
1 1 1 11  -37 18 o 8.7404  2.8003  0.4632    13.893    -9.8894   24.645    5.2860    16.821    8.6738  4.0884  8.8071  3.8279  -0.1332197     5.600654 
1 1 1 11  -37 19 o 6.8792  2.3927  -26.5827  13.950    -24.4193  24.431    -27.6291  16.992    7.7206  3.7500  6.0379  2.9729  1.682736       4.785437 
1 1 1 11  -37 20 o 12.888  3.3331  30.865    17.914    -0.7356   28.439    51.653    23.066    9.6965  4.5121  16.080  4.9071  -6.383238      6.666270 
1 1 1 11  -36 6  o 31.975  2.6473  161.841   21.939    144.092   31.883    177.803   30.237    29.831  4.0986  34.119  3.3519  -4.288479      5.294662 
1 1 1 11  -36 7  o 8.0008  2.6114  -7.3447   12.912    -14.3068  21.168    -3.2190   16.295    8.0361  3.7882  7.9655  3.5956  0.7068682E-01  5.222885 
1 1 1 11  -36 8  o 16.057  2.9467  45.448    15.614    8.4468    23.928    72.886    20.605    10.581  4.5822  21.533  3.7063  -10.95146      5.893485 
1 1 1 11  -36 9  o 9.9711  2.9569  6.5788    12.672    19.177    22.133    0.4357    15.455    11.718  4.6770  8.2239  3.6194  3.494429       5.913883 
1 1 1 11  -36 10 o 17.566  3.4735  52.880    17.224    71.469    26.341    38.995    22.765    20.237  4.9097  14.896  4.9148  5.341638       6.946932 
1 1 1 11  -36 11 o 21.940  3.0912  79.024    17.357    82.866    26.714    76.216    22.834    22.131  4.6541  21.749  4.0694  0.3829746      6.182319 
1 1 1 11  -36 12 o 16.633  3.4007  46.567    16.172    64.200    25.119    34.085    21.134    19.167  4.8799  14.098  4.7378  5.069265       6.801469 
1 1 1 11  -36 13 o 19.849  3.3261  66.466    17.195    75.011    26.966    60.611    22.322    20.718  4.9305  18.980  4.4655  1.738773       6.652147 
1 1 1 11  -36 14 o 22.981  3.3872  90.074    20.101    97.091    30.024    84.374    27.059    23.701  4.8917  22.261  4.6864  1.440069       6.774299 
1 1 1 11  -36 15 o 7.9240  2.6324  -11.2295  13.321    -11.6446  23.314    -11.0283  16.232    8.6609  4.0486  7.1872  3.3656  1.473665       5.264839 
1 1 1 11  -36 16 o 10.304  2.9225  4.8314    15.226    -33.5756  24.642    28.551    19.365    7.5588  3.6923  13.048  4.5312  -5.489664      5.845088 
1 1 1 11  -36 17 f 13.267  3.4647  28.356    16.363    41.554    25.285    18.846    21.463    15.015  5.1798  11.519  4.6029  3.495895       6.929399 
1 1 1 11  -36 18 o 25.476  3.3242  111.299   21.753    116.691   32.536    106.940   29.252    25.819  4.8836  25.132  4.5113  0.6873665      6.648385 
1 1 1 11  -36 19 f 12.359  3.3479  18.928    16.402    45.146    25.919    1.4162    21.183    15.402  5.2464  9.3159  4.1606  6.086328       6.695875 
1 1 1 11  -36 20 o 9.0570  2.8865  -0.2752   14.748    -6.3381   23.415    3.7117    18.988    8.9523  4.1410  9.1616  4.0224  -0.2093124     5.773007 
1 1 1 11  -36 21 f 17.001  3.6633  54.713    18.305    69.161    27.716    43.535    24.378    18.929  5.2715  15.073  5.0882  3.855591       7.326618 
1 1 1 11  -36 22 o 9.1104  2.5018  0.3496    12.289    -52.9417  21.872    24.933    14.856    6.0679  3.0476  12.153  3.9683  -6.085016      5.003519 
1 1 1 11  -36 23 o 8.2895  2.7858  -12.7068  16.085    -15.0581  27.311    -11.4581  19.902    8.7973  4.1922  7.7817  3.6697  1.015595       5.571533 
1 1 1 11  -36 24 o 25.595  3.4430  121.108   22.665    144.828   33.289    100.611   30.945    28.496  4.5116  22.694  5.2020  5.801741       6.885900 
1 1 1 11  -36 25 o 12.819  3.5138  30.099    17.535    48.316    27.000    16.811    23.059    14.881  5.3343  10.758  4.5752  4.123321       7.027580 
1 1 1 11  -36 26 o 8.2605  2.7498  -7.1158   15.432    -15.4226  25.885    -2.5352   19.222    8.3164  3.9947  8.2046  3.7798  0.1118078      5.499524 
1 1 1 11  -36 27 o 15.298  3.7672  56.310    19.951    42.742    30.588    66.356    26.320    13.258  5.4226  17.338  5.2309  -4.080469      7.534337 
1 1 1 11  -35 1  f 31.162  4.0265  154.332   32.821    154.332   32.821    0.0000    0.0000    31.162  4.0265  ?       ?       ?              ?        
1 1 1 11  -35 2  o 8.0895  2.5495  -2.3987   11.421    -14.5160  19.047    4.4032    14.271    7.6260  3.5944  8.5531  3.6166  -0.9270792     5.098968 
1 1 1 11  -35 3  o 9.3749  2.6312  2.2169    12.188    -27.5346  19.293    21.976    15.723    6.8176  3.3162  11.932  4.0861  -5.114516      5.262460 
1 1 1 11  -35 4  o 14.224  2.8966  32.259    14.518    -0.6745   22.468    55.866    19.023    9.6009  4.2866  18.847  3.8970  -9.245875      5.793280 
1 1 1 11  -35 5  o 32.126  2.6839  157.087   22.163    196.109   32.564    123.415   30.250    36.246  3.3938  28.007  4.1588  8.238831       5.367793 
1 1 1 11  -35 6  f 16.267  3.3299  45.302    15.773    33.992    24.296    53.542    20.738    14.341  5.0686  18.194  4.3199  -3.853321      6.659740 
1 1 1 11  -35 7  o 22.550  3.0863  82.054    17.838    75.518    26.586    87.406    24.058    21.351  4.7692  23.750  3.9185  -2.399307      6.172527 
1 1 1 11  -35 8  f 20.886  3.1796  70.034    17.284    86.017    25.696    56.828    23.358    23.273  4.2798  18.499  4.7036  4.774788       6.359292 
1 1 1 11  -35 9  o 22.650  3.0622  80.874    17.803    106.906   26.577    59.687    23.977    26.350  3.8820  18.950  4.7369  7.400043       6.124397 
1 1 1 11  -35 10 o 13.617  3.3531  25.723    15.323    46.248    24.725    12.926    19.524    16.429  5.0920  10.804  4.3642  5.624806       6.706292 
1 1 1 11  -35 11 o 33.313  2.6068  168.624   22.772    158.325   32.750    178.265   31.686    32.108  3.8873  34.519  3.4743  -2.410923      5.213600 
1 1 1 11  -35 12 o 18.233  3.1909  57.516    16.920    28.074    25.196    81.697    22.834    13.469  5.0951  22.997  3.8427  -9.528087      6.381719 
1 1 1 11  -35 13 o 19.558  3.0688  68.026    17.634    21.811    26.481    104.845   23.636    12.685  5.0972  26.431  3.4188  -13.74595      6.137533 
1 1 1 11  -35 14 o 16.989  3.6192  49.535    17.714    56.086    26.954    44.554    23.503    17.845  5.2731  16.133  4.9586  1.711651       7.238311 
1 1 1 11  -35 15 o 39.517  2.5272  235.505   26.401    256.467   38.277    216.484   36.462    41.297  3.4932  37.737  3.6530  3.560703       5.054397 
1 1 1 11  -35 16 o 23.931  3.3741  96.911    20.717    82.888    30.765    108.545   28.022    21.677  5.3348  26.184  4.1326  -4.507343      6.748277 
1 1 1 11  -35 17 o 19.558  3.3405  62.870    17.833    92.298    27.178    40.621    23.632    23.805  4.4253  15.310  5.0054  8.495380       6.681077 
1 1 1 11  -35 18 o 24.090  3.2134  94.825    19.808    131.559   29.545    64.833    26.697    28.996  3.9034  19.184  5.1056  9.811569       6.426791 
1 1 1 11  -35 19 o 11.071  3.2094  13.993    15.568    3.1215    25.060    20.824    19.865    10.279  4.5620  11.863  4.5154  -1.584476      6.418715 
1 1 1 11  -35 20 f 28.093  3.1267  130.689   21.933    170.270   31.315    92.577    30.729    33.279  3.5689  22.908  5.1350  10.37079       6.253442 
1 1 1 11  -35 21 o 14.621  3.5179  38.239    16.737    31.467    25.503    43.362    22.182    13.570  5.1279  15.672  4.8173  -2.101726      7.035747 
1 1 1 11  -35 22 o 18.737  3.7665  65.601    19.769    66.483    28.990    64.834    27.029    18.711  5.4514  18.762  5.1990  -0.5059624E-01 7.533088 
1 1 1 11  -35 23 o 16.394  3.6339  51.447    18.897    33.609    28.366    65.680    25.339    13.693  5.3468  19.096  4.9227  -5.403317      7.267808 
1 1 1 11  -35 24 o 16.467  3.5471  47.964    18.292    77.317    27.906    25.849    24.222    20.447  5.1097  12.487  4.9213  7.959744       7.094279 
1 1 1 11  -35 25 o 14.142  3.6533  37.561    17.845    44.480    27.522    32.543    23.439    14.943  5.3824  13.342  4.9412  1.600895       7.306571 
1 1 1 11  -35 26 o 26.771  3.3753  130.051   22.984    105.759   33.041    152.828   31.994    23.306  5.3990  30.235  4.0525  -6.929712      6.750694 
1 1 1 11  -35 27 f 10.435  3.1898  9.6406    17.254    -7.2366   25.189    24.560    23.683    8.9495  4.1914  11.920  4.8095  -2.970364      6.379577 
1 1 1 11  -35 28 o 11.260  3.3384  18.303    17.249    32.714    25.803    6.6579    23.194    12.801  5.0684  9.7196  4.3463  3.081376       6.676800 
1 1 1 11  -35 29 o 9.4531  3.0580  3.7967    17.141    0.3323    27.813    5.9183    21.766    9.5561  4.4520  9.3500  4.1936  0.2061310      6.116076 
1 1 1 11  -35 30 o 11.557  3.3914  23.665    19.186    -2.0016   28.919    43.844    25.642    9.3310  4.4074  13.783  5.1556  -4.452165      6.782710 
1 1 1 11  -34 0  o 23.072  2.9193  83.514    17.329    80.902    25.274    85.831    23.805    22.550  4.3419  23.593  3.9036  -1.042284      5.838689 
1 1 1 11  -34 1  o 25.969  2.8183  103.718   18.914    104.407   27.888    103.132   25.737    25.904  4.1602  26.033  3.8032  -0.1285439     5.636580 
1 1 1 11  -34 2  o 13.962  3.1812  28.586    14.090    45.431    21.508    15.922    18.650    16.684  4.6428  11.240  4.3502  5.444456       6.362400 
1 1 1 11  -34 3  o 27.829  2.5890  115.591   18.730    131.137   27.386    101.927   25.674    29.716  3.5083  25.942  3.8083  3.773623       5.177976 
1 1 1 11  -34 4  o 30.034  2.4823  133.443   19.554    144.223   28.350    123.660   27.005    31.251  3.4441  28.816  3.5757  2.434958       4.964584 
1 1 1 11  -34 5  o 14.966  3.2154  34.719    14.083    45.261    21.556    26.867    18.603    16.710  4.6473  13.221  4.4449  3.488850       6.430749 
1 1 1 11  -34 6  o 13.712  3.2312  26.161    14.462    44.929    22.574    13.095    18.835    16.567  4.8058  10.857  4.3204  5.709958       6.462347 
1 1 1 11  -34 7  o 30.338  2.4927  135.794   19.773    154.438   29.057    119.715   26.984    32.383  3.4007  28.293  3.6455  4.090752       4.985451 
1 1 1 11  -34 8  o 14.179  3.2077  30.516    14.185    43.647    21.127    19.739    19.140    16.409  4.6141  11.949  4.4572  4.460675       6.415349 
1 1 1 11  -34 9  o 8.1176  2.5475  -1.3942   10.670    -9.6605   19.253    2.2704    12.819    8.2202  3.7855  8.0151  3.4101  0.2051706      5.094971 
1 1 1 11  -34 10 o 6.8970  2.3241  -15.7032  10.730    -12.6006  19.184    -17.1156  12.943    7.9436  3.6996  5.8504  2.8138  2.093194       4.648102 
1 1 1 11  -34 11 o 25.823  2.8918  102.402   19.016    128.866   27.888    79.406    25.997    29.333  3.6268  22.312  4.5051  7.020912       5.783596 
1 1 1 11  -34 12 o 33.313  2.6087  166.458   22.189    212.921   32.293    124.901   30.540    38.201  3.1851  28.425  4.1323  9.776134       5.217336 
1 1 1 11  -34 13 o 30.062  2.7692  139.563   21.270    116.423   30.898    160.408   29.326    27.175  4.3948  32.948  3.3705  -5.772648      5.538468 
1 1 1 11  -34 14 o 20.993  3.2584  73.002    17.790    60.513    26.821    82.811    23.771    18.841  5.1620  23.146  3.9776  -4.304514      6.516750 
1 1 1 11  -34 15 o 57.094  2.3804  480.878   36.210    503.489   51.422    458.638   50.998    58.542  3.2928  55.647  3.4384  2.895184       4.760784 
1 1 1 11  -34 16 o 37.559  2.5441  211.828   25.189    232.537   36.069    192.113   35.192    39.531  3.4409  35.587  3.7485  3.944149       5.088284 
1 1 1 11  -34 17 o 13.344  3.1500  27.326    15.179    3.5437    23.637    44.018    19.802    10.272  4.4994  16.417  4.4097  -6.145053      6.300018 
1 1 1 11  -34 18 o 25.222  3.2162  104.083   20.740    121.824   29.054    85.648    29.616    27.985  3.9890  22.459  5.0463  5.526016       6.432467 
1 1 1 11  -34 19 o 10.088  2.9761  3.9422    14.737    -15.9667  21.689    21.015    20.085    8.1452  3.8381  12.030  4.5495  -3.884729      5.952183 
1 1 1 11  -34 20 o 13.380  3.3529  29.206    15.201    23.735    23.405    33.198    19.992    12.622  4.8767  14.138  4.6029  -1.515578      6.705854 
1 1 1 11  -34 21 o 9.8874  3.0773  0.6709    15.925    12.704    24.016    -8.7724   21.275    11.193  4.7100  8.5818  3.9617  2.611241       6.154624 
1 1 1 11  -34 22 o 18.960  3.6333  62.853    19.031    79.154    28.750    50.140    25.390    21.204  5.1200  16.715  5.1566  4.489071       7.266660 
1 1 1 11  -34 23 o 18.976  3.5837  63.685    18.556    71.953    27.477    56.753    25.160    20.122  5.0934  17.830  5.0428  2.292149       7.167431 
1 1 1 11  -34 24 o 11.190  3.1803  14.968    15.554    -0.8908   24.019    26.421    20.412    9.6685  4.3648  12.711  4.6268  -3.042973      6.360681 
1 1 1 11  -34 25 o 23.970  3.3867  98.192    20.929    118.743   31.324    81.619    28.130    26.515  4.5761  21.426  4.9939  5.088831       6.773447 
1 1 1 11  -34 26 o 13.294  3.5703  28.808    17.892    44.036    26.932    16.777    23.938    15.200  5.3399  11.388  4.7408  3.811094       7.140690 
1 1 1 11  -34 27 o 14.274  3.0169  28.735    17.246    -18.2009  25.156    70.357    23.689    8.4143  4.0135  20.134  4.5053  -11.71966      6.033720 
1 1 1 11  -34 28 o 9.4709  3.0231  -0.0714   16.252    9.6763    24.497    -7.7349   21.721    10.461  4.5814  8.4809  3.9454  1.980005       6.046155 
1 1 1 11  -34 29 o 14.496  3.7460  42.092    19.170    53.516    28.142    32.200    26.185    15.960  5.4666  13.033  5.1231  2.926762       7.491961 
1 1 1 11  -34 30 o 14.257  3.5292  40.798    19.522    10.022    29.860    63.771    25.799    10.710  4.8480  17.803  5.1300  -7.092480      7.058330 
1 1 1 11  -34 31 o 9.3817  3.0468  -4.5924   17.604    20.426    27.275    -22.4541  23.046    11.263  4.8849  7.5000  3.6427  3.763442       6.093524 
1 1 1 11  -34 32 o 12.609  3.5139  28.407    18.998    60.272    28.842    3.9848    25.249    15.786  5.5271  9.4325  4.3405  6.353284       7.027764 
1 1 1 11  -34 33 o 12.984  3.5778  36.536    19.847    66.590    29.010    10.094    27.211    16.136  5.5492  9.8318  4.5175  6.304157       7.155549 
1 1 1 11  -33 0  o 36.168  2.3600  190.376   22.598    196.258   32.323    184.752   31.606    36.731  3.3213  35.604  3.3537  1.126823       4.719984 
1 1 1 11  -33 1  f 12.655  2.9378  21.501    13.375    0.0543    19.764    39.623    18.167    9.3772  4.1108  15.933  4.1982  -6.555613      5.875629 
1 1 1 11  -33 2  o 10.345  2.8502  9.7237    12.480    -6.6707   19.424    21.250    16.287    8.5986  3.8994  12.091  4.1579  -3.492822      5.700311 
1 1 1 11  -33 3  o 22.258  2.7991  75.605    15.949    71.258    23.772    79.165    21.509    21.439  4.2895  23.077  3.5970  -1.638046      5.598100 
1 1 1 11  -33 4  o 31.440  2.4370  145.396   20.039    133.041   28.956    156.753   27.762    29.952  3.6871  32.929  3.1876  -2.976280      4.873907 
1 1 1 11  -33 5  o 46.638  2.2116  312.778   27.427    301.171   39.258    323.845   38.334    45.686  3.2290  47.590  3.0230  -1.904446      4.423207 
1 1 1 11  -33 6  o 12.397  3.1536  21.869    13.365    18.790    20.648    24.090    17.533    12.056  4.5999  12.739  4.3152  -0.6830578     6.307110 
1 1 1 11  -33 7  o 25.786  2.7497  100.194   18.305    95.435    26.748    104.387   25.106    25.023  4.1352  26.549  3.6252  -1.526129      5.499300 
1 1 1 11  -33 8  o 21.560  2.8743  70.715    15.960    75.276    23.481    66.798    21.759    22.196  4.1008  20.924  4.0287  1.272062       5.748600 
1 1 1 11  -33 9  o 12.192  2.9097  16.845    12.200    37.868    19.315    2.8903    15.736    15.518  4.4287  8.8659  3.7753  6.652518       5.819462 
1 1 1 11  -33 10 o 19.931  3.1081  63.659    16.214    48.902    24.055    75.947    21.950    17.362  4.9380  22.500  3.7760  -5.138256      6.216266 
1 1 1 11  -33 11 o 31.142  2.4822  143.383   20.098    125.499   28.943    160.036   27.929    28.990  3.8204  33.294  3.1701  -4.303741      4.964402 
1 1 1 11  -33 12 f 13.566  2.8128  26.097    13.705    -5.2503   20.900    49.743    18.152    9.0675  4.0845  18.064  3.8683  -8.996054      5.625587 
1 1 1 11  -33 13 o 29.639  2.7106  131.268   20.239    173.344   29.611    94.382    27.725    34.586  3.2341  24.693  4.3509  9.892897       5.421200 
1 1 1 11  -33 14 o 12.236  3.1891  18.677    13.758    30.646    21.952    10.935    17.655    14.071  4.8279  10.401  4.1681  3.670437       6.378171 
1 1 1 11  -33 15 o 12.017  3.0271  18.432    14.001    -3.2437   21.875    33.473    18.222    9.4366  4.2203  14.597  4.3409  -5.160122      6.054255 
1 1 1 11  -33 16 o 10.473  3.0212  10.276    13.210    10.147    20.776    10.363    17.116    10.750  4.4409  10.195  4.0974  0.5551434      6.042374 
1 1 1 11  -33 17 o 17.668  3.2337  48.599    15.975    71.860    24.262    30.793    21.227    21.338  4.3915  13.998  4.7479  7.339668       6.467433 
1 1 1 11  -33 18 o 9.6290  2.8808  1.1655    12.973    16.647    20.729    -8.8034   16.634    11.603  4.5591  7.6552  3.5228  3.947490       5.761564 
1 1 1 11  -33 19 o 15.208  3.1478  32.847    15.246    63.164    23.469    10.713    20.053    19.782  4.5272  10.635  4.3748  9.146879       6.295648 
1 1 1 11  -33 20 o 12.581  3.3446  22.999    15.394    18.975    22.787    26.378    20.880    12.075  4.7687  13.088  4.6909  -1.013638      6.689161 
1 1 1 11  -33 21 o 15.867  3.4792  43.029    16.616    34.801    25.077    49.468    22.185    14.495  5.1466  17.239  4.6830  -2.744493      6.958319 
1 1 1 11  -33 22 o 13.596  3.3775  27.880    15.318    41.541    23.997    18.485    19.900    15.560  5.0414  11.632  4.4960  3.927739       6.755008 
1 1 1 11  -33 23 o 10.006  2.7342  -3.7753   14.335    -51.8326  22.192    30.639    18.779    6.3276  3.1623  13.684  4.4614  -7.356825      5.468445 
1 1 1 11  -33 24 o 41.093  2.5115  256.978   27.341    269.954   38.809    244.192   38.525    42.251  3.4596  39.934  3.6418  2.317600       5.023090 
1 1 1 11  -33 25 o 14.871  3.5764  36.888    17.604    55.245    26.578    22.541    23.496    17.417  5.2569  12.325  4.8504  5.091628       7.152725 
1 1 1 11  -33 26 f 17.383  3.4405  54.872    17.483    37.681    25.966    69.130    23.647    14.495  5.2271  20.271  4.4749  -5.776088      6.880962 
1 1 1 11  -33 27 o 23.342  3.3090  92.944    19.953    109.726   29.185    78.216    27.340    25.667  4.4038  21.017  4.9402  4.650318       6.618046 
1 1 1 11  -33 28 o 9.7810  3.0663  -0.9852   16.347    17.256    24.704    -15.1950  21.804    11.517  4.8069  8.0455  3.8083  3.471087       6.132644 
1 1 1 11  -33 29 o 10.992  3.3016  13.545    17.157    6.6626    24.969    19.701    23.615    10.334  4.5717  11.650  4.7647  -1.315824      6.603254 
1 1 1 11  -33 30 o 44.837  2.5652  319.958   30.514    309.738   43.418    329.932   42.893    43.939  3.7242  45.735  3.5287  -1.795700      5.130416 
1 1 1 11  -33 31 o 13.239  3.6249  33.656    18.463    28.976    27.571    37.460    24.859    12.645  5.1573  13.834  5.0952  -1.188992      7.249785 
1 1 1 11  -33 32 o 9.7022  3.1160  3.6059    17.630    2.8341    24.978    4.3719    24.886    9.6423  4.3916  9.7621  4.4217  -0.1198511     6.231982 
1 1 1 11  -33 33 o 8.0072  2.6930  -21.6960  16.715    -51.4908  23.962    6.5402    23.327    6.3939  3.2084  9.6204  4.3261  -3.226498      5.385994 
1 1 1 11  -33 34 o 13.452  3.7098  41.768    19.725    54.977    28.506    29.632    27.322    15.004  5.4667  11.901  5.0166  3.102718       7.419661 
1 1 1 11  -33 35 o 15.621  3.9529  65.671    21.172    61.260    31.381    69.356    28.684    14.743  5.6599  16.500  5.5197  -1.756753      7.905747 
1 1 1 11  -32 0  o 32.897  2.3533  156.516   20.446    160.725   29.212    152.475   28.626    33.343  3.3149  32.451  3.3412  0.8922958      4.706585 
1 1 1 11  -32 1  o 29.597  2.3892  127.286   18.562    122.281   26.641    132.009   25.878    28.938  3.5088  30.256  3.2437  -1.317789      4.778435 
1 1 1 11  -32 2  o 33.669  2.2859  162.838   20.349    170.435   29.178    155.645   28.392    34.463  3.1974  32.875  3.2677  1.588173       4.571788 
1 1 1 11  -32 3  o 11.634  2.7659  9.7888    12.096    39.057    19.121    -9.7409   15.619    15.886  4.3610  7.3825  3.4033  8.504010       5.531821 
1 1 1 11  -32 4  o 36.146  2.2531  186.379   21.542    203.467   31.264    170.933   29.725    37.777  3.1176  34.515  3.2537  3.262733       4.506269 
1 1 1 11  -32 5  o 27.489  2.4385  109.418   17.540    116.188   25.379    103.227   24.269    28.332  3.4130  26.646  3.4839  1.686304       4.877079 
1 1 1 11  -32 6  o 25.718  2.6579  97.433    17.702    95.442    25.932    99.171    24.225    25.354  3.9471  26.082  3.5606  -0.7285805     5.315798 
1 1 1 11  -32 7  o 47.490  2.2048  319.228   27.801    354.451   40.252    287.100   38.443    50.085  3.0145  44.896  3.2182  5.188766       4.409583 
1 1 1 11  -32 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -32 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -32 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -32 11 o 16.354  5.9144  40.986    33.276    40.986    33.276    0.0000    0.0000    16.354  5.9144  ?       ?       ?              ?        
1 1 1 11  -32 12 o 32.957  3.4462  156.477   29.971    156.477   29.971    0.0000    0.0000    32.957  3.4462  ?       ?       ?              ?        
1 1 1 11  -32 13 o 12.053  3.2625  17.544    14.649    18.304    21.970    16.936    19.657    12.302  4.7327  11.805  4.4920  0.4973726      6.525053 
1 1 1 11  -32 14 o 11.989  3.0549  13.023    13.586    35.911    21.475    -2.2529   17.544    15.262  4.7480  8.7164  3.8452  6.545649       6.109794 
1 1 1 11  -32 15 o 39.538  2.3349  224.152   24.478    234.551   34.679    213.826   34.556    40.519  3.2220  38.558  3.3801  1.961205       4.669746 
1 1 1 11  -32 16 o 23.492  2.9353  83.411    17.769    80.779    25.618    85.851    24.667    23.026  4.3122  23.959  3.9837  -0.9332829     5.870672 
1 1 1 11  -32 17 o 15.592  3.3669  37.717    16.217    22.257    23.308    52.224    22.578    12.953  4.9004  18.232  4.6184  -5.278276      6.733759 
1 1 1 11  -32 18 o 7.8172  3.6389  -13.2192  18.524    -13.2192  18.524    0.0000    0.0000    7.8172  3.6389  ?       ?       ?              ?        
1 1 1 11  -32 19 o 9.1084  4.0718  -3.8517   20.341    -3.8517   20.341    0.0000    0.0000    9.1084  4.0718  ?       ?       ?              ?        
1 1 1 11  -32 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -32 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -32 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -32 23 o 48.183  3.2813  340.377   42.095    0.0000    0.0000    340.377   42.095    ?       ?       48.183  3.2813  ?              ?        
1 1 1 11  -32 24 o 23.957  3.1323  91.816    19.336    94.140    28.155    89.742    26.602    24.176  4.5140  23.739  4.3439  0.4370174      6.264597 
1 1 1 11  -32 25 o 14.542  3.3028  29.661    16.471    60.574    25.116    6.3345    21.818    18.844  4.9223  10.241  4.4051  8.603500       6.605569 
1 1 1 11  -32 26 o 5.7575  2.0335  -43.7264  12.926    -50.5319  18.643    -37.4252  17.939    5.5646  2.7972  5.9504  2.9523  -0.3858271     4.066950 
1 1 1 11  -32 27 o 26.342  3.1111  114.123   21.003    103.541   30.595    123.553   28.883    24.728  4.7923  27.956  3.9686  -3.228279      6.222231 
1 1 1 11  -32 28 o 17.020  3.2828  51.965    18.467    14.141    27.485    83.093    24.934    11.576  4.9609  22.463  4.3007  -10.88702      6.565565 
1 1 1 11  -32 29 o 17.143  3.6658  54.399    18.232    57.584    26.748    51.636    24.917    17.535  5.2695  16.751  5.0976  0.7840099      7.331660 
1 1 1 11  -32 30 o 30.564  2.9342  152.670   23.026    182.778   33.403    125.411   31.784    33.964  3.7334  27.164  4.5277  6.799898       5.868405 
1 1 1 11  -32 31 o 20.353  3.5360  76.339    20.232    110.107   29.686    47.049    27.648    25.270  4.5533  15.436  5.4111  9.834453       7.071993 
1 1 1 11  -32 32 o 15.794  3.7536  49.831    18.758    50.579    26.747    49.106    26.316    15.887  5.3299  15.701  5.2867  0.1859951      7.507126 
1 1 1 11  -32 33 o 12.522  3.3083  20.730    17.555    53.782    25.622    -8.5118   24.100    16.321  5.2011  8.7231  4.0900  7.597539       6.616604 
1 1 1 11  -32 34 o 13.624  3.7164  39.190    19.318    34.604    27.755    43.500    26.905    13.008  5.2214  14.240  5.2899  -1.231257      7.432807 
1 1 1 11  -32 35 o 15.103  3.6011  46.575    20.103    83.604    29.471    14.352    27.492    19.611  5.4268  10.595  4.7353  9.016039       7.202258 
1 1 1 11  -32 36 o 10.871  3.2368  16.236    17.941    41.604    25.123    -10.1634  25.629    13.358  5.0794  8.3845  4.0134  4.973362       6.473661 
1 1 1 11  -31 0  o 8.9018  2.6803  1.6350    11.415    -4.7344   16.964    6.9052    15.431    8.3070  3.7157  9.4967  3.8641  -1.189746      5.360699 
1 1 1 11  -31 1  o 26.882  2.4273  104.083   16.998    115.897   24.408    92.956    23.686    28.472  3.2592  25.292  3.5979  3.180241       4.854578 
1 1 1 11  -31 2  o 32.246  2.2691  147.590   19.298    159.798   27.753    136.162   26.853    33.596  3.1198  30.896  3.2957  2.700089       4.538154 
1 1 1 11  -31 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -31 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -31 5  o 11.582  3.0108  15.829    12.501    9.2215    17.255    23.129    18.138    10.299  4.1230  12.866  4.3887  -2.566050      6.021595 
1 1 1 11  -31 6  o 54.106  2.1494  409.159   30.966    443.441   44.488    376.940   43.128    56.370  2.9568  51.841  3.1205  4.528698       4.298851 
1 1 1 11  -31 7  f 16.131  3.0510  39.657    14.014    25.150    20.595    52.165    19.124    13.458  4.6730  18.803  3.9240  -5.344612      6.101995 
1 1 1 11  -31 8  o 10.693  2.7005  10.191    11.681    -11.7673  17.831    26.697    15.460    7.8839  3.6351  13.502  3.9945  -5.618362      5.400966 
1 1 1 11  -31 9  o 18.696  2.9621  53.021    14.540    41.465    21.329    63.055    19.873    16.564  4.6285  20.828  3.6978  -4.264261      5.924237 
1 1 1 11  -31 10 o 9.2783  2.6432  6.0896    9.7215    9.9455    16.386    3.9951    12.077    10.275  4.0483  8.2819  3.3996  1.992756       5.286365 
1 1 1 11  -31 11 f 9.7420  2.7239  6.9025    11.331    -8.0431   18.389    16.050    14.386    8.3938  3.8015  11.090  3.9023  -2.696376      5.447883 
1 1 1 11  -31 12 o 8.0073  2.5141  -4.2777   10.899    -14.7013  17.965    1.7939    13.711    7.6569  3.5708  8.3576  3.5400  -0.7006822     5.028163 
1 1 1 11  -31 13 o 27.333  2.5348  106.806   17.909    127.186   26.173    88.867    24.557    29.935  3.3203  24.731  3.8311  5.203556       5.069644 
1 1 1 11  -31 14 o 40.328  2.2638  229.900   23.974    269.807   34.254    191.583   33.565    43.952  2.9264  36.705  3.4547  7.247009       4.527571 
1 1 1 11  -31 15 o 27.455  2.7120  110.792   19.032    91.836    27.463    128.307   26.399    24.883  4.2747  30.028  3.3388  -5.144627      5.424044 
1 1 1 11  -31 16 o 12.422  2.8681  16.525    13.621    -11.0644  20.025    40.277    18.580    8.4881  3.8910  16.356  4.2148  -7.868365      5.736226 
1 1 1 11  -31 17 o 14.041  3.2166  29.113    13.944    24.166    20.675    33.241    18.886    13.218  4.6752  14.865  4.4191  -1.646543      6.433192 
1 1 1 11  -31 18 o 39.228  2.3132  219.084   24.013    235.720   33.890    202.311   34.030    40.835  3.1222  37.622  3.4141  3.212494       4.626487 
1 1 1 11  -31 19 o 19.020  3.1202  54.577    15.863    74.686    23.512    37.775    21.491    22.366  4.0749  15.674  4.7263  6.691309       6.240430 
1 1 1 11  -31 20 o 39.683  2.3101  225.518   24.082    190.182   33.731    262.258   34.394    36.294  3.5138  43.072  3.0000  -6.777969      4.620233 
1 1 1 11  -31 21 o 23.754  2.9401  85.118    17.979    84.882    26.361    85.324    24.585    23.616  4.3268  23.893  3.9818  -0.2766457     5.880160 
1 1 1 11  -31 22 o 42.829  2.2576  263.015   25.681    250.229   36.354    275.752   36.283    41.707  3.2808  43.951  3.1020  -2.243713      4.515123 
1 1 1 11  -31 23 o 37.836  2.3371  207.121   23.439    212.287   33.727    202.296   32.596    38.280  3.3224  37.392  3.2880  0.8879547      4.674293 
1 1 1 11  -31 24 o 16.743  3.3959  45.515    16.032    43.492    23.525    47.269    21.905    16.336  4.9492  17.150  4.6512  -0.8136883     6.791790 
1 1 1 11  -31 25 o 15.033  4.9832  36.733    23.393    36.733    23.393    0.0000    0.0000    15.033  4.9832  ?       ?       ?              ?        
1 1 1 11  -31 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -31 27 o 19.654  4.6431  63.876    24.054    0.0000    0.0000    63.876    24.054    ?       ?       19.654  4.6431  ?              ?        
1 1 1 11  -31 28 o 13.531  3.3215  25.129    16.136    50.504    24.467    5.5961    21.466    17.008  5.0233  10.054  4.3470  6.953767       6.643076 
1 1 1 11  -31 29 f 25.975  3.0450  109.660   20.425    108.560   29.372    110.690   28.423    25.727  4.4218  26.223  4.1875  -0.4963627     6.089949 
1 1 1 11  -31 30 o 13.213  3.4797  27.486    17.231    42.520    24.870    13.608    23.896    15.292  5.1395  11.134  4.6923  4.158031       6.959353 
1 1 1 11  -31 31 o 13.547  3.5457  32.206    17.032    33.412    24.990    31.160    23.275    13.712  5.0974  13.381  4.9299  0.3315306      7.091324 
1 1 1 11  -31 32 o 12.702  3.4319  25.963    17.531    8.1837    26.060    40.660    23.694    10.617  4.6850  14.787  5.0163  -4.170299      6.863869 
1 1 1 11  -31 33 o 14.966  3.3557  35.015    18.065    75.143    27.168    3.2137    24.185    20.091  5.0533  9.8402  4.4165  10.25075       6.711318 
1 1 1 11  -31 34 o 11.004  3.3058  15.530    17.114    10.256    24.426    20.617    23.987    10.441  4.5737  11.566  4.7743  -1.124768      6.611598 
1 1 1 11  -31 35 o 26.355  3.2563  125.446   22.112    133.735   31.271    117.158   31.270    27.553  4.3842  25.158  4.8160  2.394918       6.512670 
1 1 1 11  -31 36 o 15.678  3.8161  54.991    19.805    44.094    27.832    66.167    28.187    14.043  5.3447  17.313  5.4485  -3.270444      7.632279 
1 1 1 11  -31 37 o 11.380  3.4392  22.699    19.102    38.721    27.764    8.2980    26.322    12.922  5.2097  9.8372  4.4912  3.085101       6.878377 
1 1 1 11  -31 38 o 8.2951  2.7835  -8.2196   16.878    -22.9708  23.402    7.7693    24.364    7.2498  3.5534  9.3403  4.2854  -2.090541      5.566993 
1 1 1 11  -30 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -30 1  o 28.807  2.3392  117.409   17.400    144.197   25.275    93.278    23.989    32.111  2.9723  25.503  3.6129  6.607935       4.678401 
1 1 1 11  -30 2  o 9.9615  2.7299  9.4988    10.596    3.8434    15.867    14.051    14.235    9.2351  3.8533  10.688  3.8679  -1.452786      5.459719 
1 1 1 11  -30 3  o 10.436  2.5677  -1.6560   11.578    32.740    17.679    -27.4866  15.320    14.912  4.2305  5.9596  2.9112  8.952322       5.135362 
1 1 1 11  -30 4  o 73.058  2.2243  740.793   43.447    800.625   62.093    683.401   60.814    76.026  3.0492  70.091  3.2393  5.935074       4.448688 
1 1 1 11  -30 5  o 46.882  2.0687  304.548   25.838    297.807   36.713    311.164   36.370    46.340  2.9735  47.423  2.8769  -1.083050      4.137397 
1 1 1 11  -30 6  o 15.818  3.0505  35.806    13.605    49.675    20.277    24.450    18.348    18.364  4.2120  13.273  4.4139  5.090979       6.101086 
1 1 1 11  -30 7  o 49.519  2.0990  339.467   27.702    351.248   39.346    327.887   39.010    50.395  2.9275  48.642  3.0089  1.753387       4.198068 
1 1 1 11  -30 8  o 40.670  2.1281  229.504   23.014    226.167   32.636    232.805   32.458    40.359  3.0414  40.980  2.9774  -0.6208572     4.256123 
1 1 1 11  -30 9  o 11.703  2.8579  16.066    11.081    26.718    17.286    8.6356    14.438    13.678  4.2606  9.7282  3.8102  3.950199       5.715740 
1 1 1 11  -30 10 o 18.236  2.8653  48.449    14.464    78.828    21.110    21.571    19.857    23.575  3.4447  12.897  4.5796  10.67822       5.730567 
1 1 1 11  -30 11 f 19.756  2.8025  56.552    14.285    59.904    21.040    53.686    19.458    20.292  4.0132  19.220  3.9128  1.072773       5.604937 
1 1 1 11  -30 12 o 44.631  2.1325  276.267   25.339    281.000   35.784    271.507   35.887    45.033  2.9836  44.230  3.0478  0.8024635      4.265074 
1 1 1 11  -30 13 o 28.920  2.4848  118.522   18.444    147.288   26.713    92.317    25.497    32.486  3.1079  25.354  3.8778  7.132910       4.969541 
1 1 1 11  -30 14 o 14.742  2.6082  23.821    12.992    64.359    19.946    -6.0509   17.122    21.165  3.6504  8.3199  3.7264  12.84476       5.216436 
1 1 1 11  -30 15 o 34.788  2.2800  169.514   21.002    168.475   29.764    170.544   29.637    34.673  3.2426  34.904  3.2060  -0.2310219     4.559912 
1 1 1 11  -30 16 o 47.941  2.0957  319.113   26.776    318.609   37.593    319.631   38.147    47.914  2.9435  47.968  2.9838  -0.5411148E-01 4.191323 
1 1 1 11  -30 17 f 12.013  3.1455  17.009    13.467    21.935    19.906    12.852    18.288    12.895  4.5846  11.131  4.3079  1.764235       6.291008 
1 1 1 11  -30 18 o 14.757  2.8252  32.019    13.660    2.5623    20.805    54.338    18.110    10.157  4.3334  19.357  3.6262  -9.199808      5.650440 
1 1 1 11  -30 19 o 27.894  2.5606  112.611   18.209    138.494   25.892    87.283    25.613    31.369  3.1231  24.418  4.0586  6.950722       5.121148 
1 1 1 11  -30 20 o 24.640  2.7568  89.331    17.394    76.003    24.959    101.916   24.252    22.604  4.2791  26.675  3.4770  -4.071129      5.513694 
1 1 1 11  -30 21 o 19.303  3.1442  56.273    15.928    62.570    23.192    50.650    21.915    20.369  4.3810  18.237  4.5113  2.131823       6.288451 
1 1 1 11  -30 22 o 33.133  2.3240  156.833   20.280    145.882   28.982    167.341   28.388    31.889  3.4479  34.377  3.1169  -2.487949      4.647932 
1 1 1 11  -30 23 o 7.6700  2.5353  -14.6676  12.871    -16.5720  19.319    -13.1475  17.260    7.7954  3.6572  7.5446  3.5123  0.2508011      5.070619 
1 1 1 11  -30 24 o 23.963  2.8829  86.824    17.544    109.654   25.103    65.023    24.530    27.463  3.4915  20.464  4.5885  6.998447       5.765859 
1 1 1 11  -30 25 f 11.171  3.1282  13.220    14.002    9.0653    20.195    17.067    19.431    10.633  4.3841  11.708  4.4635  -1.075138      6.256429 
1 1 1 11  -30 26 o 12.290  3.1122  19.213    14.613    -1.4451   22.442    34.417    19.253    9.7652  4.3264  14.815  4.4749  -5.049767      6.224329 
1 1 1 11  -30 27 o 10.545  3.0743  8.6929    14.373    0.4912    20.663    16.381    20.005    9.5611  4.1970  11.529  4.4935  -1.967850      6.148639 
1 1 1 11  -30 28 o 11.450  4.7320  13.246    23.604    13.246    23.604    0.0000    0.0000    11.450  4.7320  ?       ?       ?              ?        
1 1 1 11  -30 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -30 30 o 7.5001  2.5423  -21.8609  14.665    -26.0161  21.738    -18.3899  19.868    7.4606  3.6025  7.5395  3.5881  -0.7885027E-01 5.084506 
1 1 1 11  -30 31 o 30.479  2.8158  147.930   22.054    124.424   31.330    171.018   31.050    27.550  4.3934  33.408  3.5231  -5.858616      5.631546 
1 1 1 11  -30 32 o 11.112  3.2089  12.918    16.095    -2.8862   23.089    27.856    22.448    9.3012  4.2309  12.922  4.8257  -3.621188      6.417758 
1 1 1 11  -30 33 o 20.246  3.2485  75.278    19.109    32.891    27.258    116.239   26.795    13.551  5.2551  26.941  3.8203  -13.39002      6.497026 
1 1 1 11  -30 34 o 14.089  3.5899  37.113    17.299    39.677    25.244    34.844    23.753    14.432  5.1595  13.746  4.9930  0.6855516      7.179838 
1 1 1 11  -30 35 o 21.558  3.5375  86.373    20.032    84.911    28.688    87.763    27.984    21.228  5.1075  21.888  4.8959  -0.6593094     7.075042 
1 1 1 11  -30 36 o 9.7815  3.1179  3.2735    17.574    -6.9251   25.636    12.315    24.138    9.0439  4.2333  10.519  4.5787  -1.475163      6.235823 
1 1 1 11  -30 37 o 9.0869  2.9027  -8.8945   17.093    -44.5881  25.261    21.252    23.215    6.9021  3.4374  11.272  4.6784  -4.369580      5.805438 
1 1 1 11  -30 38 o 11.887  3.7921  26.417    22.599    23.927    25.166    36.789    51.360    11.345  4.8001  12.430  5.8719  -1.085344      7.584236 
1 1 1 11  -30 39 o 9.6794  3.1494  8.3132    19.094    -2.0477   27.906    17.433    26.182    9.0148  4.2791  10.344  4.6222  -1.329285      6.298868 
1 1 1 11  -29 0  o 33.220  2.1977  153.801   19.320    150.066   27.403    157.493   27.243    32.794  3.1587  33.645  3.0564  -0.8503380     4.395364 
1 1 1 11  -29 1  o 14.253  2.8484  29.370    11.803    18.796    16.991    39.232    16.408    12.073  4.2414  16.433  3.8031  -4.360043      5.696805 
1 1 1 11  -29 2  o 47.252  2.0481  307.816   25.789    304.280   36.741    311.252   36.208    46.966  2.9354  47.539  2.8569  -0.5732956     4.096113 
1 1 1 11  -29 3  o 34.801  2.1305  167.585   19.574    187.993   28.155    148.491   27.233    36.917  2.8698  32.686  3.1496  4.231541       4.260997 
1 1 1 11  -29 4  o 47.777  2.0329  314.132   25.880    305.662   36.849    322.376   36.355    47.113  2.9347  48.441  2.8141  -1.328186      4.065857 
1 1 1 11  -29 5  o 13.772  2.8119  27.300    11.153    20.684    16.354    33.052    15.248    12.421  4.1677  15.124  3.7757  -2.703213      5.623703 
1 1 1 11  -29 6  o 31.770  2.1232  139.491   17.841    146.042   25.680    133.378   24.806    32.503  2.9830  31.038  3.0222  1.465464       4.246415 
1 1 1 11  -29 7  o 20.297  2.6636  58.869    13.837    77.493    20.233    42.507    18.965    23.502  3.3054  17.093  4.1776  6.409845       5.327151 
1 1 1 11  -29 8  o 26.100  2.3233  95.161    15.876    96.408    22.841    93.995    22.081    26.256  3.3221  25.944  3.2488  0.3120289      4.646619 
1 1 1 11  -29 9  o 10.893  2.7475  13.407    10.010    19.923    16.040    9.2498    12.811    12.243  4.1274  9.5436  3.6276  2.699367       5.495034 
1 1 1 11  -29 10 o 10.764  2.3636  8.6028    10.457    -21.5603  15.771    32.264    13.969    6.5423  3.1360  14.985  3.5371  -8.442507      4.727140 
1 1 1 11  -29 11 f 46.919  2.0561  302.597   25.711    301.399   36.137    303.825   36.589    46.830  2.8952  47.008  2.9204  -0.1784248     4.112291 
1 1 1 11  -29 12 o 10.986  2.9655  12.393    12.052    13.124    18.335    11.837    15.993    11.307  4.3297  10.664  4.0533  0.6428089      5.930905 
1 1 1 11  -29 13 o 42.554  2.1166  249.685   23.971    251.189   33.920    248.184   33.879    42.685  2.9856  42.422  3.0010  0.2634468      4.233206 
1 1 1 11  -29 14 o 16.353  3.1848  37.614    14.979    55.447    22.243    22.813    20.264    19.474  4.3714  13.232  4.6329  6.241532       6.369683 
1 1 1 11  -29 15 o 31.782  2.2523  140.537   18.903    146.490   26.904    134.732   26.566    32.472  3.1321  31.092  3.2374  1.380426       4.504531 
1 1 1 11  -29 16 o 59.717  2.0883  490.207   33.401    489.161   46.919    491.282   47.559    59.662  2.9360  59.773  2.9706  -0.1111946     4.176660 
1 1 1 11  -29 17 o 18.123  3.0716  48.291    14.838    58.125    21.217    38.877    20.759    19.987  4.1006  16.259  4.5743  3.728292       6.143212 
1 1 1 11  -29 18 f 36.574  2.1620  186.419   20.869    206.349   29.443    166.299   29.583    38.636  2.8655  34.512  3.2381  4.124634       4.323926 
1 1 1 11  -29 19 o 23.976  2.6747  82.440    16.604    82.251    23.727    82.621    23.243    23.929  3.8312  24.024  3.7333  -0.9455490E-01 5.349361 
1 1 1 11  -29 20 o 9.3231  2.8178  1.0027    12.438    3.7791    18.531    -1.2737   16.779    9.8609  4.1427  8.7853  3.8208  1.075621       5.635651 
1 1 1 11  -29 21 o 13.646  3.1237  26.178    12.997    30.508    19.525    22.734    17.415    14.477  4.5312  12.815  4.3008  1.662494       6.247303 
1 1 1 11  -29 22 o 21.413  2.8814  67.634    15.836    87.289    22.902    49.625    21.922    24.671  3.5695  18.156  4.5243  6.515562       5.762867 
1 1 1 11  -29 23 o 32.993  2.3024  154.159   20.028    143.175   28.371    165.070   28.276    31.738  3.3899  34.248  3.1166  -2.509878      4.604814 
1 1 1 11  -29 24 o 33.445  2.2819  158.569   20.187    160.090   28.718    157.083   28.381    33.603  3.2305  33.288  3.2236  0.3156662      4.563712 
1 1 1 11  -29 25 o 12.059  3.1664  18.414    13.678    15.601    19.750    21.007    18.961    11.650  4.4857  12.468  4.4701  -0.8173189     6.332711 
1 1 1 11  -29 26 o 29.899  2.5125  130.253   19.612    119.585   28.165    140.295   27.326    28.547  3.7762  31.250  3.3152  -2.702894      5.024966 
1 1 1 11  -29 27 o 12.622  3.3387  21.254    15.242    18.480    22.508    23.603    20.714    12.306  4.7745  12.938  4.6682  -0.6321306     6.677421 
1 1 1 11  -29 28 o 13.722  3.3604  27.435    15.288    37.408    22.628    19.061    20.735    15.330  4.8881  12.113  4.6125  3.217670       6.720740 
1 1 1 11  -29 29 o 21.729  3.1565  76.382    17.832    51.983    25.439    99.952    25.003    17.665  5.0952  25.792  3.7274  -8.127253      6.313013 
1 1 1 11  -29 30 o 9.6204  2.9996  0.3247    15.046    3.8830    22.203    -2.6972   20.461    10.130  4.4002  9.1111  4.0776  1.018596       5.999110 
1 1 1 11  -29 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -29 32 f 18.426  3.5464  59.663    17.969    59.939    25.654    59.398    25.177    18.439  5.0471  18.412  4.9835  0.2665710E-01  7.092893 
1 1 1 11  -29 33 o 18.796  3.4685  62.506    17.716    69.365    25.290    55.896    24.825    19.969  4.7899  17.624  5.0177  2.344835       6.936913 
1 1 1 11  -29 34 o 16.950  3.5988  53.388    18.157    66.557    25.764    40.395    25.591    19.175  4.9741  14.725  5.2022  4.450183       7.197516 
1 1 1 11  -29 35 o 13.855  3.6325  35.713    17.942    33.701    25.374    37.725    25.374    13.557  5.1168  14.153  5.1575  -0.5961113     7.265064 
1 1 1 11  -29 36 o 17.890  3.6065  62.086    18.907    79.428    26.711    44.674    26.765    20.825  4.8749  14.956  5.3163  5.869045       7.212993 
1 1 1 11  -29 37 o 20.018  3.7669  79.774    20.565    85.705    29.730    74.332    28.476    20.809  5.3150  19.227  5.3393  1.581619       7.533806 
1 1 1 11  -29 38 o 12.835  3.4188  23.512    18.672    61.909    27.951    -7.4306   25.092    16.862  5.4387  8.8092  4.1440  8.052420       6.837552 
1 1 1 11  -29 39 o 11.243  3.2287  2.2096    19.250    -46.6148  26.480    56.930    28.033    6.9376  3.4652  15.549  5.4488  -8.611480      6.457332 
1 1 1 11  -29 40 o 12.320  3.3164  22.653    19.600    68.407    27.520    -24.4439  27.920    16.778  5.3949  7.8614  3.8588  8.916727       6.632897 
1 1 1 11  -28 0  f 14.339  2.6302  29.379    11.349    9.9017    16.406    47.253    15.717    10.418  4.0668  18.259  3.3366  -7.840306      5.260418 
1 1 1 11  -28 1  o 26.808  2.2277  99.798    15.681    104.274   22.471    95.549    21.893    27.412  3.1159  26.205  3.1846  1.206547       4.455368 
1 1 1 11  -28 2  o 72.778  2.1660  725.114   42.194    761.689   60.175    689.740   59.180    74.610  3.0112  70.946  3.1143  3.663681       4.331950 
1 1 1 11  -28 3  o 43.455  1.9852  258.563   22.978    255.475   32.662    261.589   32.333    43.186  2.8395  43.723  2.7752  -0.5373573     3.970454 
1 1 1 11  -28 4  o 30.812  2.1281  130.865   17.296    142.356   24.765    119.923   24.165    32.174  2.9051  29.450  3.1105  2.723282       4.256145 
1 1 1 11  -28 5  o 73.885  2.1587  746.337   42.712    739.643   60.857    752.835   59.959    73.540  3.0896  74.229  3.0157  -0.6893539     4.317434 
1 1 1 11  -28 6  o 12.586  2.8731  20.650    11.120    27.996    16.833    14.961    14.811    14.067  4.1695  11.105  3.9540  2.962858       5.746211 
1 1 1 11  -28 7  o 66.472  2.0998  603.172   37.380    597.713   53.145    608.516   52.585    66.162  2.9989  66.782  2.9398  -0.6202774     4.199501 
1 1 1 11  -28 8  o 45.055  2.0098  277.687   24.097    296.290   34.336    259.632   33.826    46.573  2.7649  43.537  2.9175  3.035698       4.019563 
1 1 1 11  -28 9  o 25.286  2.4284  89.535    15.959    82.687    22.786    96.128    22.359    24.263  3.6166  26.308  3.2416  -2.045017      4.856727 
1 1 1 11  -28 10 o 27.646  2.3288  107.196   16.597    87.212    23.558    126.892   23.387    24.923  3.6360  30.370  2.9107  -5.446852      4.657564 
1 1 1 11  -28 11 o 33.939  2.1379  158.618   19.198    148.059   27.020    169.381   27.281    32.761  3.1168  35.117  2.9270  -2.356220      4.275716 
1 1 1 11  -28 12 o 25.957  2.4917  94.839    16.597    113.780   23.684    76.560    23.266    28.674  3.1348  23.240  3.8739  5.433352       4.983420 
1 1 1 11  -28 13 f 46.004  2.1033  290.397   25.767    294.943   36.155    285.705   36.732    46.389  2.9248  45.618  3.0233  0.7708321      4.206544 
1 1 1 11  -28 14 o 39.189  2.1034  211.036   21.911    208.660   30.698    213.503   31.283    38.966  2.9635  39.411  2.9857  -0.4446831     4.206742 
1 1 1 11  -28 15 o 46.526  2.0746  297.425   25.683    309.056   35.899    285.231   36.758    47.499  2.8346  45.553  3.0299  1.946613       4.149136 
1 1 1 11  -28 16 o 18.494  2.9992  49.576    14.601    58.100    20.946    41.519    20.364    20.100  4.0310  16.889  4.4422  3.211082       5.998499 
1 1 1 11  -28 17 o 43.100  2.0931  256.705   23.875    282.923   33.461    229.513   34.076    45.435  2.7626  40.765  3.1452  4.670444       4.186219 
1 1 1 11  -28 18 o 10.573  2.6788  1.1364    12.055    30.278    18.038    -22.3808  16.205    14.536  4.3181  6.6107  3.1715  7.925093       5.357660 
1 1 1 11  -28 19 o 35.250  2.1730  172.070   20.295    180.326   28.857    163.989   28.550    36.116  3.0105  34.384  3.1344  1.731167       4.345969 
1 1 1 11  -28 20 o 10.067  2.8341  5.5318    11.862    16.561    17.824    -3.2354   15.892    11.789  4.3185  8.3446  3.6714  3.444699       5.668241 
1 1 1 11  -28 21 o 46.461  2.0339  297.687   25.182    304.534   35.898    291.053   35.335    46.993  2.8657  45.928  2.8870  1.065376       4.067794 
1 1 1 11  -28 22 o 24.851  2.5698  88.205    16.543    82.781    23.781    93.291    23.027    24.018  3.8249  25.684  3.4332  -1.665297      5.139695 
1 1 1 11  -28 23 o 14.945  2.9107  29.610    13.554    55.152    20.114    8.3627    18.345    19.421  3.9998  10.469  4.2298  8.952534       5.821433 
1 1 1 11  -28 24 o 21.971  2.7699  70.635    15.629    64.999    22.788    75.640    21.475    20.997  4.1988  22.944  3.6139  -1.947884      5.539812 
1 1 1 11  -28 25 o 59.984  2.1198  501.209   33.986    498.207   48.654    504.069   47.493    59.734  3.0511  60.233  2.9438  -0.4986877     4.239695 
1 1 1 11  -28 26 o 40.086  2.1736  225.902   23.127    226.978   33.607    224.935   31.876    40.128  3.1521  40.043  2.9936  0.8464050E-01  4.347107 
1 1 1 11  -28 27 o 42.765  2.1709  257.966   24.679    261.028   35.750    255.179   34.109    42.967  3.1278  42.563  3.0114  0.4046364      4.341852 
1 1 1 11  -28 28 o 21.791  3.0539  72.474    17.173    89.713    24.661    56.247    23.927    24.619  3.8674  18.963  4.7274  5.655907       6.107747 
1 1 1 11  -28 29 o 9.6281  2.9025  2.7174    13.309    8.9455    19.264    -2.9705   18.409    10.460  4.2937  8.7959  3.9067  1.664354       5.804962 
1 1 1 11  -28 30 o 24.742  3.0291  97.710    18.726    68.411    27.475    123.128   25.590    20.458  5.0456  29.026  3.3532  -8.568714      6.058252 
1 1 1 11  -28 31 o 11.022  3.1622  12.503    14.592    15.456    20.968    9.7307    20.319    11.463  4.5594  10.580  4.3829  0.8835201      6.324388 
1 1 1 11  -28 32 f 17.145  5.2253  51.018    26.166    51.018    26.166    0.0000    0.0000    17.145  5.2253  ?       ?       ?              ?        
1 1 1 11  -28 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -28 34 o 11.323  3.3139  15.442    16.378    16.925    23.925    14.134    22.468    11.569  4.7711  11.077  4.6004  0.4923420      6.627775 
1 1 1 11  -28 35 o 11.272  3.2899  15.729    16.423    7.4269    23.744    23.344    22.740    10.345  4.5211  12.198  4.7806  -1.852989      6.579889 
1 1 1 11  -28 36 o 11.983  3.1209  9.8242    16.829    50.960    24.462    -27.1392  23.188    16.440  5.0598  7.5257  3.6549  8.914511       6.241748 
1 1 1 11  -28 37 o 10.118  3.1322  5.2254    16.824    19.810    23.790    -9.3637   23.794    11.529  4.7564  8.7070  4.0765  2.821630       6.264302 
1 1 1 11  -28 38 o 19.981  3.6711  79.706    20.824    104.598   29.560    55.181    29.341    23.947  4.7761  16.015  5.5766  7.931540       7.342297 
1 1 1 11  -28 39 o 11.499  3.3170  15.853    18.470    44.143    25.854    -13.6368  26.396    14.401  5.2124  8.5979  4.1039  5.802976       6.634067 
1 1 1 11  -28 40 o 11.769  3.4644  24.031    19.322    3.4449    27.183    45.056    27.471    9.6239  4.4552  13.915  5.3066  -4.290753      6.928804 
1 1 1 11  -28 41 o 9.8439  3.1831  6.7786    19.332    -12.5382  26.501    28.750    28.263    8.2566  3.9845  11.431  4.9651  -3.174487      6.366210 
1 1 1 11  -27 0  o 52.460  2.0289  375.933   28.396    372.588   40.360    379.213   39.960    52.219  2.8970  52.702  2.8413  -0.4833794     4.057732 
1 1 1 11  -27 1  o 49.045  2.0027  328.314   26.193    328.848   37.359    327.798   36.734    49.077  2.8544  49.013  2.8099  0.6404495E-01  4.005356 
1 1 1 11  -27 2  o 17.583  2.6153  44.181    11.924    39.812    17.126    48.292    16.612    16.676  3.9031  18.489  3.4822  -1.812855      5.230679 
1 1 1 11  -27 3  f 45.863  1.9821  286.885   24.230    291.247   34.386    282.584   34.149    46.214  2.7911  45.512  2.8151  0.7019463      3.964229 
1 1 1 11  -27 4  o 24.313  2.3204  82.018    14.716    85.508    21.224    78.788    20.422    24.821  3.2722  23.805  3.2908  1.015760       4.640764 
1 1 1 11  -27 5  o 28.565  2.1243  112.272   16.004    111.098   22.865    113.398   22.407    28.405  3.0533  28.725  2.9544  -0.3203487     4.248636 
1 1 1 11  -27 6  o 17.628  2.6725  44.279    12.209    43.661    18.008    44.804    16.609    17.480  3.9404  17.776  3.6114  -0.2963467     5.345018 
1 1 1 11  -27 7  o 41.704  2.0110  237.397   22.320    245.983   31.691    228.946   31.440    42.467  2.8018  40.941  2.8855  1.525955       4.022007 
1 1 1 11  -27 8  o 106.372 2.5573  1551.06   72.854    1584.61   103.685   1518.33   102.390   107.520 3.6003  105.225 3.6329  2.294609       5.114682 
1 1 1 11  -27 9  o 35.010  2.1078  167.943   19.577    168.601   27.651    167.282   27.722    35.082  2.9706  34.938  2.9912  0.1441345      4.215673 
1 1 1 11  -27 10 o 51.543  2.0198  362.305   27.762    373.374   39.159    351.120   39.365    52.354  2.8027  50.732  2.9091  1.622040       4.039546 
1 1 1 11  -27 11 o 43.506  2.0023  258.284   23.193    247.728   32.625    269.069   32.978    42.591  2.8768  44.421  2.7858  -1.830437      4.004525 
1 1 1 11  -27 12 o 13.726  3.0425  25.867    12.678    19.094    18.346    32.058    17.541    12.448  4.4039  15.003  4.1992  -2.554542      6.085019 
1 1 1 11  -27 13 o 24.184  2.5179  81.835    15.816    80.338    22.497    83.298    22.239    23.944  3.6210  24.423  3.4996  -0.4794483     5.035732 
1 1 1 11  -27 14 o 61.647  2.0474  517.651   33.789    531.867   47.543    503.141   48.031    62.522  2.8390  60.772  2.9507  1.750149       4.094702 
1 1 1 11  -27 15 o 21.693  2.6954  68.033    14.752    92.664    21.057    44.288    20.674    25.878  3.0996  17.508  4.4107  8.369957       5.390877 
1 1 1 11  -27 16 o 22.598  2.5721  71.912    14.977    81.316    21.516    63.071    20.861    24.121  3.4266  21.075  3.8369  3.045841       5.144243 
1 1 1 11  -27 17 o 40.892  2.0268  229.247   22.036    235.307   30.773    222.870   31.568    41.474  2.7863  40.309  2.9442  1.165264       4.053652 
1 1 1 11  -27 18 o 33.285  2.1296  152.686   18.737    164.966   26.689    140.751   26.312    34.648  2.9026  31.922  3.1171  2.725815       4.259284 
1 1 1 11  -27 19 o 9.4013  2.7303  2.7482    11.206    11.279    16.959    -3.8628   14.929    10.777  4.1547  8.0259  3.5436  2.750855       5.460609 
1 1 1 11  -27 20 o 49.743  1.9934  339.253   26.422    357.039   37.412    321.553   37.321    51.077  2.7447  48.408  2.8916  2.669327       3.986775 
1 1 1 11  -27 21 o 18.147  3.0078  47.739    14.341    51.568    21.126    44.465    19.531    18.818  4.2871  17.476  4.2201  1.341509       6.015694 
1 1 1 11  -27 22 o 18.722  2.8928  52.088    14.187    37.906    20.731    64.581    19.457    16.113  4.5846  21.330  3.5289  -5.217045      5.785504 
1 1 1 11  -27 23 o 54.790  2.0377  413.485   29.778    397.031   42.140    429.898   42.086    53.666  2.9428  55.914  2.8192  -2.247890      4.075301 
1 1 1 11  -27 24 o 24.482  2.6157  86.521    16.380    74.800    23.976    96.781    22.431    22.719  4.0905  26.245  3.2611  -3.526829      5.231304 
1 1 1 11  -27 25 o 44.971  2.0529  279.327   24.550    303.247   35.685    257.832   33.827    46.823  2.8591  43.119  2.9466  3.703972       4.105702 
1 1 1 11  -27 26 o 47.056  2.0583  307.244   25.789    326.475   36.968    289.015   35.993    48.525  2.8569  45.588  2.9638  2.937172       4.116548 
1 1 1 11  -27 27 o 29.203  2.4045  121.302   18.440    120.762   26.560    121.805   25.622    29.102  3.4761  29.304  3.3231  -0.2017269     4.808955 
1 1 1 11  -27 28 o 27.323  2.5163  107.491   17.714    129.076   25.618    87.715    24.521    30.155  3.2217  24.491  3.8664  5.663292       5.032683 
1 1 1 11  -27 29 o 49.896  2.1300  351.145   28.294    341.516   40.691    360.158   39.369    49.153  3.1067  50.639  2.9148  -1.486015      4.260004 
1 1 1 11  -27 30 o 12.934  3.1071  21.121    14.618    0.3241    21.130    40.212    20.244    9.7826  4.2704  16.085  4.5144  -6.302784      6.214166 
1 1 1 11  -27 31 o 27.121  2.7693  111.166   19.281    97.847    28.062    123.075   26.536    25.258  4.3020  28.983  3.4883  -3.724739      5.538537 
1 1 1 11  -27 32 o 24.520  2.9855  94.031    18.665    76.348    26.683    110.974   26.118    21.800  4.7073  27.239  3.6734  -5.439020      5.971030 
1 1 1 11  -27 33 o 18.102  3.4505  55.035    17.613    39.984    24.784    70.391    25.034    15.414  5.1301  20.790  4.6159  -5.376235      6.901076 
1 1 1 11  -27 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -27 35 o 12.070  3.3099  18.867    16.608    0.5338    24.044    35.598    22.969    9.8382  4.4104  14.301  4.9366  -4.463088      6.619813 
1 1 1 11  -27 36 o 12.976  3.5424  28.157    17.515    24.383    24.720    31.962    24.820    12.445  4.9504  13.508  5.0684  -1.062905      7.084809 
1 1 1 11  -27 37 o 16.795  3.6174  53.919    18.910    34.433    26.961    72.787    26.530    13.657  5.2454  19.933  4.9827  -6.276048      7.234733 
1 1 1 11  -27 38 o 8.0545  2.7254  -18.5215  16.684    -16.1470  23.795    -20.8172  23.398    8.2361  3.9216  7.8729  3.7858  0.3632574      5.450756 
1 1 1 11  -27 39 o 13.978  3.7308  39.324    19.345    48.005    27.525    30.851    27.194    15.143  5.3903  12.814  5.1595  2.329156       7.461631 
1 1 1 11  -27 40 o 9.9579  3.1691  -1.2621   18.725    27.728    27.746    -25.5111  25.376    12.145  5.0840  7.7704  3.7849  4.375104       6.338161 
1 1 1 11  -27 41 o 18.543  3.9318  81.817    22.595    56.841    31.970    106.743   31.938    14.825  5.7074  22.260  5.4095  -7.435609      7.863693 
1 1 1 11  -27 42 o 8.1631  2.7977  -15.2018  18.967    -25.2422  26.436    -4.5497   27.229    7.5806  3.7278  8.7457  4.1727  -1.165088      5.595322 
1 1 1 11  -26 0  o 74.720  2.1715  759.672   43.458    765.054   61.816    754.412   61.108    74.979  3.0780  74.461  3.0640  0.5178833      4.343060 
1 1 1 11  -26 1  o 25.898  2.2639  93.245    15.038    115.025   21.585    72.706    20.962    28.986  2.8158  22.811  3.5459  6.174505       4.527892 
1 1 1 11  -26 2  o 99.943  2.4659  1363.97   66.005    1362.63   93.882    1365.27   92.819    99.883  3.5092  100.004 3.4652  -0.1208954     4.931722 
1 1 1 11  -26 3  o 33.400  1.9913  152.264   17.647    154.495   25.152    150.101   24.765    33.642  2.8172  33.158  2.8151  0.4845963      3.982604 
1 1 1 11  -26 4  o 65.163  2.0509  575.882   35.792    587.853   50.990    564.255   50.253    65.833  2.8917  64.493  2.9091  1.339767       4.101837 
1 1 1 11  -26 5  o 80.853  2.1760  887.832   47.121    894.475   67.167    881.395   66.123    81.146  3.0903  80.560  3.0644  0.5859756      4.352033 
1 1 1 11  -26 6  o 53.875  4.2725  401.440   61.148    0.0000    0.0000    401.440   61.148    ?       ?       53.875  4.2725  ?              ?        
1 1 1 11  -26 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -26 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -26 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -26 10 o 10.327  4.3852  1.2131    21.125    1.2131    21.125    0.0000    0.0000    10.327  4.3852  ?       ?       ?              ?        
1 1 1 11  -26 11 o 21.909  5.0931  69.240    29.320    69.240    29.320    0.0000    0.0000    21.909  5.0931  ?       ?       ?              ?        
1 1 1 11  -26 12 o 34.602  2.9433  163.556   27.020    163.556   27.020    0.0000    0.0000    34.602  2.9433  ?       ?       ?              ?        
1 1 1 11  -26 13 o 25.720  3.3341  91.527    22.428    91.527    22.428    0.0000    0.0000    25.720  3.3341  ?       ?       ?              ?        
1 1 1 11  -26 14 o 12.708  5.0566  12.808    25.799    12.808    25.799    0.0000    0.0000    12.708  5.0566  ?       ?       ?              ?        
1 1 1 11  -26 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -26 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -26 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -26 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -26 19 o 47.502  2.7513  307.849   34.856    0.0000    0.0000    307.849   34.856    ?       ?       47.502  2.7513  ?              ?        
1 1 1 11  -26 20 o 49.690  1.9828  337.752   26.223    312.244   37.048    363.362   37.122    47.764  2.9097  51.615  2.6945  -3.851177      3.965674 
1 1 1 11  -26 21 o 32.317  2.0928  143.913   17.893    141.354   25.776    146.293   24.857    32.012  3.0428  32.621  2.8742  -0.6094246     4.185619 
1 1 1 11  -26 22 f 34.657  2.0907  165.003   19.179    180.505   27.843    151.007   26.456    36.232  2.8932  33.082  3.0189  3.150814       4.181425 
1 1 1 11  -26 23 o 65.875  2.0783  594.622   36.653    580.680   52.189    608.193   51.490    65.085  2.9937  66.665  2.8836  -1.579437      4.156594 
1 1 1 11  -26 24 o 30.267  2.2668  128.753   17.870    115.183   26.276    140.430   24.375    28.646  3.4972  31.888  2.8851  -3.241385      4.533656 
1 1 1 11  -26 25 o 19.115  2.9668  53.370    14.765    52.722    21.288    53.971    20.497    18.972  4.2897  19.258  4.0995  -0.2859364     5.933584 
1 1 1 11  -26 26 o 37.434  2.1434  193.607   21.131    228.500   30.984    163.260   28.894    40.662  2.8631  34.206  3.1905  6.455620       4.286765 
1 1 1 11  -26 27 o 39.834  2.1136  219.932   22.240    254.314   32.347    189.108   30.627    42.866  2.8332  36.801  3.1371  6.065018       4.227126 
1 1 1 11  -26 28 o 56.696  2.0876  446.934   31.572    442.030   45.317    451.558   44.012    56.350  3.0133  57.042  2.8901  -0.6917877     4.175250 
1 1 1 11  -26 29 o 25.450  2.6706  93.569    17.601    103.689   25.682    84.604    24.171    26.816  3.6722  24.084  3.8785  2.731253       5.341130 
1 1 1 11  -26 30 o 23.645  2.7587  82.524    16.798    74.453    23.869    90.445    23.646    22.345  4.1407  24.946  3.6465  -2.601799      5.517414 
1 1 1 11  -26 31 o 26.164  2.7198  100.690   18.366    116.369   26.732    86.673    25.275    28.253  3.6154  24.076  4.0641  4.177141       5.439533 
1 1 1 11  -26 32 o 19.437  3.2331  59.081    16.606    69.098    24.187    50.148    22.841    21.109  4.4197  17.765  4.7199  3.343851       6.466181 
1 1 1 11  -26 33 o 24.379  3.0906  94.322    19.133    73.032    27.720    113.695   26.442    21.144  4.9772  27.615  3.6655  -6.470858      6.181277 
1 1 1 11  -26 34 o 12.262  3.0973  13.427    15.854    -17.1875  22.488    43.679    22.354    8.3015  3.9106  16.223  4.8042  -7.921050      6.194624 
1 1 1 11  -26 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -26 36 o 23.028  3.5318  91.906    21.253    113.440   31.167    73.189    29.057    26.009  4.6443  20.047  5.3222  5.961708       7.063659 
1 1 1 11  -26 37 o 9.6393  3.0063  0.4177    15.844    14.731    22.210    -14.4155  22.610    11.007  4.5729  8.2715  3.9040  2.735530       6.012698 
1 1 1 11  -26 38 o 10.802  3.3379  10.718    18.301    10.887    25.901    10.550    25.862    10.821  4.7257  10.784  4.7154  0.3726101E-01  6.675877 
1 1 1 11  -26 39 o 10.043  3.1891  4.6310    17.830    4.2862    24.424    5.0244    26.088    9.9090  4.4434  10.177  4.5758  -0.2681723     6.378279 
1 1 1 11  -26 40 o 15.729  3.9341  53.681    20.688    54.071    30.305    53.341    28.311    15.658  5.6469  15.801  5.4792  -0.1427698     7.868248 
1 1 1 11  -26 41 o 18.995  4.1378  83.299    23.155    90.847    33.603    76.474    31.951    19.873  5.8914  18.117  5.8118  1.755501       8.275571 
1 1 1 11  -26 42 o 10.306  3.3095  12.747    19.881    10.339    27.843    15.251    28.397    10.091  4.6118  10.520  4.7479  -0.4292374     6.619008 
1 1 1 11  -26 43 o 12.771  3.7938  45.604    22.597    30.014    31.711    61.689    32.210    11.240  5.0502  14.302  5.6629  -3.062031      7.587666 
1 1 1 11  -25 0  o 53.023  1.9543  380.998   27.678    401.690   39.456    360.951   38.836    54.491  2.7034  51.556  2.8231  2.934849       3.908694 
1 1 1 11  -25 1  o 69.101  2.4909  648.378   43.939    660.057   74.149    642.057   54.548    69.360  4.0083  68.842  2.9583  0.5184860      4.981750 
1 1 1 11  -25 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -25 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -25 4  o 80.958  2.1825  887.901   47.308    867.458   67.246    907.933   66.566    80.020  3.1375  81.896  3.0346  -1.875725      4.364926 
1 1 1 11  -25 5  f 114.502 2.6059  1782.92   79.916    1790.62   113.730   1775.41   112.320   114.739 3.7006  114.265 3.6699  0.4737930      5.211792 
1 1 1 11  -25 6  o 30.840  2.0261  129.680   16.535    126.815   23.586    132.449   23.187    30.491  2.9237  31.189  2.8056  -0.6977291     4.052135 
1 1 1 11  -25 7  o 19.912  2.5328  55.511    12.979    53.997    18.955    56.847    17.809    19.616  3.7442  20.207  3.4118  -0.5917149     5.065536 
1 1 1 11  -25 8  o 19.966  2.4778  55.583    12.757    56.582    18.479    54.673    17.634    20.130  3.5573  19.801  3.4501  0.3289452      4.955598 
1 1 1 11  -25 9  o 21.640  2.4503  65.156    13.693    63.220    19.858    66.911    18.907    21.295  3.6106  21.986  3.3136  -0.6909885     4.900664 
1 1 1 11  -25 10 o 61.646  2.0003  513.314   33.027    504.750   46.421    522.092   46.998    61.124  2.8354  62.168  2.8224  -1.043648      4.000691 
1 1 1 11  -25 11 o 27.088  2.2957  100.783   16.325    101.010   23.123    100.558   23.051    27.119  3.2480  27.058  3.2453  0.6101990E-01  4.591465 
1 1 1 11  -25 12 o 14.715  2.6421  28.807    12.601    -0.0039   18.192    55.380    17.471    9.4923  4.0511  19.939  3.3930  -10.44625      5.284279 
1 1 1 11  -25 13 o 62.804  2.0128  533.094   33.854    521.026   47.442    545.614   48.323    62.078  2.8532  63.529  2.8398  -1.450649      4.025600 
1 1 1 11  -25 14 o 76.927  2.1220  801.085   43.718    785.339   61.363    817.316   62.302    76.158  3.0082  77.697  2.9937  -1.539093      4.243978 
1 1 1 11  -25 15 o 47.160  1.9719  303.456   24.647    332.828   34.366    272.344   35.369    49.572  2.5973  44.748  2.9677  4.823441       3.943762 
1 1 1 11  -25 16 o 67.868  2.0361  624.442   36.972    651.435   51.952    596.741   52.629    69.378  2.7957  66.359  2.9610  3.018600       4.072252 
1 1 1 11  -25 17 f 73.568  2.0617  733.763   40.623    737.649   57.141    729.793   57.762    73.772  2.8918  73.364  2.9395  0.4084320      4.123478 
1 1 1 11  -25 18 o 69.787  2.0366  660.625   38.067    668.473   53.790    652.752   53.879    70.208  2.8604  69.365  2.8999  0.8425217      4.073253 
1 1 1 11  -25 19 f 51.191  1.9232  356.315   26.268    348.787   37.288    363.731   37.009    50.641  2.7595  51.740  2.6797  -1.098907      3.846457 
1 1 1 11  -25 20 o 36.621  2.2737  186.667   21.462    196.284   27.830    172.555   33.713    37.929  2.7583  35.312  3.6154  2.617344       4.547430 
1 1 1 11  -25 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -25 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -25 23 o 8.7451  2.5970  -2.4969   10.921    10.834    16.223    -13.5444  14.768    10.568  4.0665  6.9221  3.2313  3.645992       5.194014 
1 1 1 11  -25 24 o 86.987  2.2824  1039.22   53.173    1053.64   75.814    1025.26   74.598    87.578  3.2319  86.396  3.2236  1.182137       4.564763 
1 1 1 11  -25 25 o 57.757  2.0280  457.518   31.281    439.197   44.572    475.301   43.913    56.543  2.9533  58.971  2.7801  -2.428207      4.055959 
1 1 1 11  -25 26 o 49.861  2.0088  341.199   26.685    364.596   38.507    319.580   37.015    51.526  2.8006  48.197  2.8805  3.329758       4.017525 
1 1 1 11  -25 27 o 7.6509  2.4146  -12.6246  10.997    4.9416    15.739    -29.3790  15.371    9.4265  3.8765  5.8753  2.8797  3.551136       4.829118 
1 1 1 11  -25 28 o 29.725  2.3111  124.285   18.041    118.942   26.087    129.183   24.978    29.042  3.4190  30.408  3.1106  -1.366158      4.622260 
1 1 1 11  -25 29 o 19.171  2.9991  54.883    15.037    45.760    21.648    63.388    20.902    17.470  4.5728  20.872  3.8817  -3.401243      5.998208 
1 1 1 11  -25 30 o 11.378  3.1145  13.454    13.522    17.503    19.988    10.038    18.361    12.098  4.5466  10.658  4.2578  1.440494       6.229005 
1 1 1 11  -25 31 o 12.066  3.1985  16.924    14.378    8.1140    20.486    25.478    20.185    10.715  4.4164  13.417  4.6280  -2.702047      6.397057 
1 1 1 11  -25 32 o 12.697  3.2728  21.717    14.461    23.610    20.653    19.897    20.256    13.028  4.6659  12.365  4.5907  0.6632919      6.545550 
1 1 1 11  -25 33 o 20.184  3.2423  63.838    17.295    79.749    24.926    49.067    24.017    22.866  4.2255  17.502  4.9189  5.364079       6.484624 
1 1 1 11  -25 34 o 26.781  2.8376  108.713   19.689    118.160   28.509    100.099   27.224    27.983  3.9105  25.579  4.1130  2.404150       5.675261 
1 1 1 11  -25 35 o 30.846  2.6786  144.467   21.616    139.860   31.138    148.752   30.031    30.223  3.9402  31.468  3.6296  -1.244255      5.357124 
1 1 1 11  -25 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -25 37 o 12.288  3.5320  20.724    18.539    11.797    26.566    29.198    25.884    11.268  4.8539  13.308  5.1321  -2.039604      7.063937 
1 1 1 11  -25 38 o 13.662  3.3454  24.294    18.765    62.515    26.539    -13.9176  26.536    18.334  5.1770  8.9888  4.2385  9.345379       6.690767 
1 1 1 11  -25 39 o 18.346  3.9215  67.308    21.168    79.530    30.543    56.012    29.363    20.119  5.5072  16.573  5.5844  3.545404       7.843084 
1 1 1 11  -25 40 o 8.7528  2.9098  -12.2647  17.683    -0.4969   24.977    -24.0909  25.039    9.5455  4.3646  7.9602  3.8493  1.585363       5.819511 
1 1 1 11  -25 41 o 18.522  3.5242  69.450    22.194    20.447    31.422    118.236   31.353    11.730  5.1617  25.314  4.7997  -13.58399      7.048433 
1 1 1 11  -25 42 o 15.476  3.6508  45.392    22.215    0.2665    30.159    98.919    32.847    9.8031  4.5896  21.149  5.6788  -11.34560      7.301632 
1 1 1 11  -25 43 o 11.236  3.4990  23.824    20.827    11.763    29.390    35.992    29.519    10.171  4.6814  12.302  5.2015  -2.130411      6.997948 
1 1 1 11  -24 0  o 39.768  1.9021  214.348   20.136    220.980   28.626    207.853   28.330    40.384  2.6613  39.151  2.7184  1.232986       3.804242 
1 1 1 11  -24 1  o 24.427  2.1557  81.975    13.757    75.643    19.444    88.324    19.468    23.441  3.1787  25.412  2.9127  -1.970972      4.311413 
1 1 1 11  -24 2  o 62.692  2.0045  530.329   33.658    531.097   47.745    529.570   47.456    62.737  2.8413  62.648  2.8281  0.8805847E-01  4.008906 
1 1 1 11  -24 3  o 25.436  2.1568  88.728    14.368    83.297    20.428    94.045    20.213    24.632  3.1698  26.241  2.9257  -1.608728      4.313647 
1 1 1 11  -24 4  o 31.088  2.0197  131.625   16.598    125.562   23.773    137.391   23.185    30.365  2.9606  31.811  2.7481  -1.445595      4.039442 
1 1 1 11  -24 5  o 47.483  1.9286  304.841   24.406    320.235   34.676    289.730   34.356    48.684  2.6694  46.282  2.7843  2.402390       3.857235 
1 1 1 11  -24 6  o 109.982 2.5432  1636.81   74.916    1643.06   106.549   1630.69   105.355   110.186 3.6102  109.779 3.5830  0.4071198      5.086447 
1 1 1 11  -24 7  o 117.018 2.6403  1854.13   82.753    1858.45   117.566   1849.89   116.502   117.149 3.7468  116.887 3.7211  0.2614212      5.280634 
1 1 1 11  -24 8  o 74.599  2.0788  750.373   41.536    755.769   58.844    745.015   58.638    74.868  2.9344  74.331  2.9452  0.5364456      4.157501 
1 1 1 11  -24 9  o 128.180 2.8258  2228.14   97.015    2246.02   137.523   2210.43   136.878   128.695 3.9896  127.666 4.0029  1.028839       5.651505 
1 1 1 11  -24 10 o 120.713 2.6908  1974.07   87.001    1978.84   123.119   1969.31   122.957   120.859 3.8033  120.566 3.8075  0.2927933      5.381611 
1 1 1 11  -24 11 o 13.367  3.1521  23.031    13.230    22.925    18.721    23.136    18.700    13.348  4.4592  13.386  4.4562  -0.3843594E-01 6.304169 
1 1 1 11  -24 12 o 25.098  2.4167  87.296    15.634    73.464    22.138    101.057   22.081    23.006  3.7195  27.191  3.0865  -4.184904      4.833354 
1 1 1 11  -24 13 o 70.244  2.0574  665.634   38.704    663.050   54.221    668.318   55.265    70.109  2.8874  70.379  2.9317  -0.2701340     4.114810 
1 1 1 11  -24 14 o 78.656  2.1245  838.084   44.584    913.880   62.649    760.311   63.462    82.305  2.8419  75.007  3.1588  7.297562       4.249018 
1 1 1 11  -24 15 o 73.727  2.0595  734.007   40.659    738.489   56.964    729.352   58.053    73.964  2.8753  73.490  2.9492  0.4740677      4.118902 
1 1 1 11  -24 16 o 19.549  2.5840  54.549    12.906    41.437    18.614    66.691    17.912    17.107  4.1130  21.992  3.1290  -4.885269      5.167900 
1 1 1 11  -24 17 o 28.862  2.1371  114.307   16.127    131.031   22.927    97.927    22.689    31.025  2.7887  26.698  3.2392  4.326365       4.274250 
1 1 1 11  -24 18 o 53.082  1.8925  381.250   26.841    367.026   38.007    395.404   37.912    52.048  2.7358  54.116  2.6156  -2.067711      3.784975 
1 1 1 11  -24 19 o 68.892  2.0161  642.360   37.198    655.630   52.730    629.214   52.483    69.606  2.8283  68.178  2.8740  1.428139       4.032267 
1 1 1 11  -24 20 o 31.821  2.0572  139.188   17.193    121.449   24.517    156.352   24.116    29.751  3.1233  33.892  2.6784  -4.141592      4.114439 
1 1 1 11  -24 21 o 9.6296  2.1377  -7.2569   9.7742    30.217    13.831    -44.6371  13.814    14.591  3.5687  4.6685  2.3544  9.922127       4.275366 
1 1 1 11  -24 22 o 40.527  1.9543  223.995   21.072    219.869   30.191    227.914   29.424    40.145  2.8257  40.909  2.7006  -0.7631493     3.908661 
1 1 1 11  -24 23 o 18.131  3.0723  50.274    14.931    62.266    19.083    31.346    23.976    21.053  3.5076  15.210  5.0450  5.843244       6.144530 
1 1 1 11  -24 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -24 25 o 30.812  2.7063  131.097   20.185    138.961   36.503    127.633   24.226    31.213  4.4959  30.412  3.0138  0.8011761      5.412563 
1 1 1 11  -24 26 o 6.2931  2.1371  -21.1014  10.488    -23.7844  15.082    -18.5883  14.596    6.1719  2.9853  6.4142  3.0589  -0.2422819     4.274168 
1 1 1 11  -24 27 o 47.270  2.0551  307.283   25.866    307.800   37.458    306.812   35.760    47.279  2.9731  47.260  2.8381  0.1889801E-01  4.110230 
1 1 1 11  -24 28 o 35.792  2.1534  177.368   20.409    180.478   29.890    174.651   27.935    36.055  3.1260  35.528  2.9625  0.5268250      4.306754 
1 1 1 11  -24 29 o 22.637  2.7988  74.324    16.271    69.999    23.901    78.060    22.212    21.897  4.2282  23.376  3.6683  -1.479601      5.597694 
1 1 1 11  -24 30 o 36.371  2.2697  185.874   21.794    175.041   31.541    195.771   30.149    35.261  3.3811  37.482  3.0289  -2.221020      4.539406 
1 1 1 11  -24 31 o 30.348  2.3761  130.567   18.803    152.298   27.124    110.464   26.089    32.921  3.1130  27.776  3.5908  5.145271       4.752293 
1 1 1 11  -24 32 o 17.087  3.0263  44.325    15.811    12.675    22.776    73.760    21.965    11.723  4.7213  22.452  3.7873  -10.72865      6.052637 
1 1 1 11  -24 33 o 26.539  2.8274  105.777   19.083    85.993    27.526    124.087   26.480    23.753  4.4910  29.325  3.4364  -5.572416      5.654856 
1 1 1 11  -24 34 o 18.943  3.3554  56.183    17.616    79.471    25.884    36.090    24.043    22.699  4.4163  15.188  5.0528  7.510997       6.710733 
1 1 1 11  -24 35 o 14.574  3.5836  33.515    17.128    32.315    25.179    34.549    23.368    14.409  5.1527  14.738  4.9818  -0.3284559     7.167172 
1 1 1 11  -24 36 o 27.128  3.0904  116.336   21.676    114.763   31.078    117.825   30.248    26.845  4.4800  27.410  4.2582  -0.5651321     6.180862 
1 1 1 11  -24 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -24 38 o 22.744  3.6988  94.625    22.285    76.488    32.570    110.588   30.557    19.865  5.7756  25.623  4.6224  -5.757999      7.397582 
1 1 1 11  -24 39 o 14.116  3.3432  23.622    19.289    -18.7418  26.414    72.032    28.236    8.6406  4.1190  19.592  5.2669  -10.95144      6.686323 
1 1 1 11  -24 40 o 35.024  3.1513  210.435   28.646    193.798   41.295    225.866   39.770    33.101  4.7976  36.947  4.0872  -3.846104      6.302554 
1 1 1 11  -24 41 o 21.396  4.0305  94.412    23.540    91.529    34.221    97.002    32.433    20.731  5.8875  22.061  5.5062  -1.330250      8.061056 
1 1 1 11  -24 42 o 12.196  3.6614  25.556    21.036    39.490    31.048    13.731    28.602    13.511  5.4874  10.882  4.8490  2.629127       7.322870 
1 1 1 11  -24 43 o 12.183  3.6832  31.387    21.376    33.691    29.504    28.841    31.012    12.430  5.2250  11.936  5.1927  0.4943867      7.366459 
1 1 1 11  -24 44 o 9.7655  3.2348  7.2572    21.249    -1.2495   29.364    16.608    30.786    9.1455  4.3551  10.386  4.7842  -1.240027      6.469587 
1 1 1 11  -23 0  o 75.040  2.1150  759.347   42.501    755.013   60.611    763.539   59.611    74.823  3.0243  75.256  2.9573  -0.4327011     4.229928 
1 1 1 11  -23 1  o 30.507  1.9840  126.440   16.016    120.901   22.653    131.976   22.647    29.823  2.8714  31.190  2.7386  -1.367573      3.967943 
1 1 1 11  -23 2  o 110.132 2.5601  1638.78   75.515    1638.75   107.402   1638.81   106.196   110.125 3.6411  110.138 3.5998  -0.1324463E-01 5.120210 
1 1 1 11  -23 3  o 94.202  2.3173  1196.80   58.464    1187.53   83.119    1205.88   82.248    93.835  3.3071  94.569  3.2470  -0.7338409     4.634667 
1 1 1 11  -23 4  o 11.083  2.6248  13.346    10.179    0.4307    14.608    25.536    14.192    8.6142  3.6517  13.552  3.7714  -4.938204      5.249626 
1 1 1 11  -23 5  o 82.987  2.1744  927.599   48.329    925.666   68.730    929.489   67.971    82.898  3.0954  83.076  3.0546  -0.1772308     4.348800 
1 1 1 11  -23 6  f 133.911 2.8859  2425.28   103.507   2419.56   147.042   2430.90   145.729   133.747 4.1046  134.076 4.0580  -0.3279419     5.771867 
1 1 1 11  -23 7  o 94.162  2.3005  1194.78   58.021    1196.68   82.293    1192.89   81.816    94.236  3.2603  94.089  3.2465  0.1467285      4.601000 
1 1 1 11  -23 8  o 100.134 2.4210  1351.99   64.933    1359.16   92.019    1344.88   91.641    100.399 3.4218  99.869  3.4259  0.5296402      4.842037 
1 1 1 11  -23 9  o 91.949  2.2992  1139.32   56.621    1118.56   79.929    1160.24   80.221    91.104  3.2755  92.795  3.2276  -1.690720      4.598473 
1 1 1 11  -23 10 o 163.790 3.3627  3641.19   147.524   3619.99   208.699   3662.36   208.562   163.307 4.7712  164.274 4.7400  -0.9671173     6.725451 
1 1 1 11  -23 11 o 88.925  2.2713  1065.65   54.050    1006.38   75.893    1126.66   76.995    86.404  3.2793  91.446  3.1435  -5.042152      4.542584 
1 1 1 11  -23 12 o 64.760  2.0214  564.107   35.023    527.100   48.842    603.276   50.249    62.569  2.9143  66.951  2.8020  -4.382137      4.042881 
1 1 1 11  -23 13 o 77.158  2.1132  802.428   43.645    821.288   61.164    782.862   62.299    78.092  2.9242  76.224  3.0514  1.867607       4.226307 
1 1 1 11  -23 14 o 52.130  1.9350  366.795   26.928    381.362   37.715    351.647   38.459    53.235  2.6450  51.025  2.8250  2.210068       3.870017 
1 1 1 11  -23 15 o 151.085 3.1412  3101.47   127.099   3153.57   179.354   3048.92   180.138   152.383 4.3943  149.787 4.4900  2.595657       6.282465 
1 1 1 11  -23 16 o 55.896  1.9287  421.564   28.814    431.512   40.497    411.364   41.005    56.606  2.6710  55.187  2.7830  1.419178       3.857383 
1 1 1 11  -23 17 o 19.211  2.6814  51.860    13.296    47.760    19.015    55.783    18.599    18.418  3.9713  20.003  3.6040  -1.585440      5.362787 
1 1 1 11  -23 18 o 66.043  1.9484  588.228   34.464    595.102   48.691    581.327   48.788    66.432  2.7364  65.653  2.7744  0.7796402      3.896815 
1 1 1 11  -23 19 o 40.529  1.9217  223.090   20.655    200.391   29.160    245.946   29.261    38.422  2.8539  42.636  2.5744  -4.214081      3.843452 
1 1 1 11  -23 20 o 38.521  1.9130  202.157   19.515    183.227   27.923    220.230   27.284    36.713  2.8622  40.329  2.5388  -3.616089      3.825951 
1 1 1 11  -23 21 o 71.230  2.0427  686.344   38.966    703.897   55.635    669.444   54.592    72.126  2.8798  70.334  2.8978  1.791786       4.085441 
1 1 1 11  -23 22 f 9.9158  2.7683  7.7437    10.834    6.7607    16.110    8.5552    14.638    9.9319  3.9810  9.8997  3.8477  0.3229332E-01  5.536598 
1 1 1 11  -23 23 o 37.998  1.9493  196.865   19.676    191.837   28.339    201.546   27.341    37.506  2.8420  38.489  2.6686  -0.9827003     3.898504 
1 1 1 11  -23 24 o 63.458  2.0141  547.171   34.212    543.757   49.181    550.372   47.623    63.249  2.9030  63.668  2.7926  -0.4185143     4.028169 
1 1 1 11  -23 25 o 46.797  2.8788  299.181   35.909    299.181   35.909    0.0000    0.0000    46.797  2.8788  ?       ?       ?              ?        
1 1 1 11  -23 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -23 27 o 69.065  2.1342  653.859   39.432    630.990   56.470    675.621   55.087    67.839  3.1078  70.290  2.9260  -2.450912      4.268424 
1 1 1 11  -23 28 o 44.636  2.0597  274.440   24.441    265.252   35.288    282.912   33.885    43.870  3.0215  45.402  2.8000  -1.532501      4.119432 
1 1 1 11  -23 29 o 39.918  2.1589  220.476   22.886    220.835   33.089    220.148   31.687    39.922  3.1192  39.915  2.9855  0.6961823E-02  4.317741 
1 1 1 11  -23 30 o 31.836  2.3352  143.022   19.432    128.277   28.245    156.273   26.776    30.136  3.5685  33.535  3.0131  -3.399225      4.670405 
1 1 1 11  -23 31 o 25.696  2.7666  97.179    17.895    72.374    25.657    120.676   24.971    22.098  4.4879  29.294  3.2366  -7.195873      5.533256 
1 1 1 11  -23 32 o 9.9340  2.9743  3.1068    13.724    6.4086    19.607    -0.0642   19.215    10.387  4.3045  9.4807  4.1059  0.9066057      5.948685 
1 1 1 11  -23 33 o 10.317  3.0018  4.3662    14.040    -7.9890   19.799    16.865    19.914    8.7147  3.9459  11.920  4.5247  -3.205135      6.003573 
1 1 1 11  -23 34 o 24.108  3.0383  88.735    18.709    71.937    26.786    104.737   26.144    21.496  4.7762  26.720  3.7568  -5.223442      6.076621 
1 1 1 11  -23 35 o 40.816  2.5151  245.388   26.750    203.553   38.307    285.204   37.371    37.008  3.9244  44.624  3.1468  -7.616100      5.030271 
1 1 1 11  -23 36 o 25.370  3.3514  105.424   21.602    77.821    31.462    130.039   29.711    21.390  5.4699  29.350  3.8741  -7.960115      6.702880 
1 1 1 11  -23 37 o 6.6566  2.3170  -35.8648  13.751    -44.5996  17.828    -23.0372  21.605    5.6314  2.8173  7.6818  3.6791  -2.050353      4.633941 
1 1 1 11  -23 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -23 39 o 34.425  3.1138  196.414   26.519    259.065   38.036    137.153   36.992    41.034  3.4940  27.815  5.1550  13.21821       6.227517 
1 1 1 11  -23 40 o 12.243  3.5697  22.384    19.093    15.359    26.701    29.734    27.313    11.397  4.8871  13.089  5.2045  -1.691714      7.139349 
1 1 1 11  -23 41 o 11.492  3.4307  14.013    19.540    34.625    27.059    -8.4451   28.245    13.532  5.2392  9.4517  4.4303  4.079816       6.861311 
1 1 1 11  -23 42 o 13.422  3.6103  29.994    20.739    61.386    29.197    -1.9767   29.465    16.947  5.5647  9.8972  4.6013  7.049307       7.220641 
1 1 1 11  -23 43 o 9.0670  3.0030  -14.8832  19.354    -45.5798  27.149    16.836    27.597    7.1648  3.5675  10.969  4.8317  -3.804346      6.006058 
1 1 1 11  -23 44 o 16.268  3.6753  57.955    17.154    69.130    32.646    53.693    20.161    16.009  5.8476  16.527  4.4539  -0.5172482     7.350604 
1 1 1 11  -22 0  o 51.717  1.9639  361.129   27.074    346.294   38.591    375.508   37.994    50.656  2.8559  52.777  2.6967  -2.120975      3.927885 
1 1 1 11  -22 1  o 75.157  2.1023  759.875   42.318    768.030   60.278    751.950   59.425    75.554  2.9786  74.760  2.9676  0.7938080      4.204647 
1 1 1 11  -22 2  o 56.413  1.9454  427.808   29.394    427.296   41.772    428.310   41.370    56.378  2.7662  56.447  2.7362  -0.6912613E-01 3.890857 
1 1 1 11  -22 3  o 59.809  1.9500  480.801   31.238    479.851   44.267    481.744   44.087    59.749  2.7661  59.868  2.7493  -0.1190224     3.899981 
1 1 1 11  -22 4  o 129.544 2.8038  2263.59   97.284    2281.81   138.291   2245.75   136.879   130.059 3.9698  129.029 3.9606  1.029785       5.607645 
1 1 1 11  -22 5  o 136.585 2.9106  2518.13   106.450   2466.06   151.182   2569.33   149.912   135.169 4.1757  138.001 4.0557  -2.831467      5.821119 
1 1 1 11  -22 6  o 40.631  1.9310  223.018   20.867    234.383   29.435    211.537   29.585    41.686  2.6500  39.576  2.8092  2.110588       3.861925 
1 1 1 11  -22 7  o 158.896 3.2636  3412.77   138.898   3418.42   197.023   3407.18   195.846   159.024 4.6256  158.768 4.6053  0.2554321      6.527255 
1 1 1 11  -22 8  o 169.346 3.4772  3882.29   157.669   3772.68   223.228   3991.41   222.727   166.934 4.9925  171.760 4.8413  -4.826065      6.954357 
1 1 1 11  -22 9  o 94.489  2.3717  1201.76   60.001    1159.38   84.615    1244.62   85.095    92.806  3.4039  96.172  3.3035  -3.365639      4.743384 
1 1 1 11  -22 10 o 152.756 3.1841  3153.57   130.270   3107.29   184.053   3200.03   184.407   151.624 4.5320  153.887 4.4739  -2.263870      6.368235 
1 1 1 11  -22 11 o 48.041  1.9935  311.467   25.519    317.232   35.612    305.382   36.586    48.508  2.7522  47.574  2.8848  0.9334145      3.987090 
1 1 1 11  -22 12 o 142.002 2.9609  2723.33   112.614   2737.47   158.845   2709.04   159.679   142.379 4.1652  141.625 4.2094  0.7536011      5.921842 
1 1 1 11  -22 13 f 21.045  2.7120  61.578    14.722    61.779    20.987    61.383    20.658    21.075  3.8600  21.014  3.8105  0.6110573E-01  5.423949 
1 1 1 11  -22 14 o 79.740  2.0940  856.028   44.697    881.907   62.831    829.513   63.599    80.969  2.8971  78.511  3.0243  2.457642       4.188057 
1 1 1 11  -22 15 o 142.578 2.9743  2749.73   113.582   2761.48   160.266   2737.87   160.994   142.891 4.1875  142.266 4.2249  0.6247253      5.948517 
1 1 1 11  -22 16 o 70.321  2.0089  665.487   37.838    663.359   53.271    667.654   53.756    70.209  2.8327  70.434  2.8494  -0.2249069     4.017899 
1 1 1 11  -22 17 o 43.721  1.9066  258.177   22.217    262.661   31.493    253.734   31.345    44.103  2.6787  43.339  2.7139  0.7636681      3.813235 
1 1 1 11  -22 18 o 118.238 2.6563  1891.16   84.122    1911.30   119.176   1871.15   118.758   118.870 3.7431  117.606 3.7700  1.263680       5.312591 
1 1 1 11  -22 19 o 62.428  1.9205  524.882   32.110    530.911   45.772    519.040   45.056    62.780  2.7220  62.075  2.7099  0.7042465      3.840918 
1 1 1 11  -22 20 o 31.487  2.0266  134.488   16.860    148.091   24.455    122.163   23.277    33.025  2.7907  29.949  2.9396  3.076881       4.053293 
1 1 1 11  -22 21 o 86.286  2.1948  1006.93   50.705    986.672   72.247    1026.59   71.179    85.416  3.1579  87.155  3.0491  -1.739319      4.389640 
1 1 1 11  -22 22 o 68.498  2.0066  634.298   36.791    623.782   52.703    644.294   51.384    67.931  2.8965  69.065  2.7777  -1.133537      4.013157 
1 1 1 11  -22 23 o 15.611  2.9491  34.881    12.818    25.529    18.845    42.934    17.487    13.809  4.4670  17.412  3.8516  -3.602787      5.898184 
1 1 1 11  -22 24 o 58.231  1.9578  459.523   30.498    451.446   44.018    466.979   42.294    57.720  2.8472  58.742  2.6881  -1.021801      3.915659 
1 1 1 11  -22 25 o 10.631  2.8348  8.3867    11.641    21.110    17.371    -1.9850   15.683    12.738  4.2952  8.5249  3.7007  4.212626       5.669520 
1 1 1 11  -22 26 o 37.065  2.0190  188.245   19.845    180.104   28.583    195.821   27.573    36.254  2.9696  37.875  2.7364  -1.621407      4.038086 
1 1 1 11  -22 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -22 28 o 45.762  2.5119  280.804   28.802    320.127   51.181    262.580   34.843    47.811  4.0343  43.713  2.9939  4.097927       5.023840 
1 1 1 11  -22 29 o 22.696  2.6542  73.294    15.520    72.567    22.830    73.918    21.163    22.530  3.9259  22.862  3.5730  -0.3319550     5.308372 
1 1 1 11  -22 30 o 12.084  2.9365  14.027    13.244    34.415    18.922    -5.5535   18.543    15.380  4.3814  8.7875  3.9110  6.592409       5.873037 
1 1 1 11  -22 31 f 11.547  3.1358  13.876    13.683    10.838    19.476    16.836    19.227    11.089  4.3994  12.006  4.4696  -0.9169407     6.271499 
1 1 1 11  -22 32 o 46.077  2.2152  295.933   27.167    299.617   39.034    292.471   37.833    46.338  3.1639  45.816  3.1013  0.5223961      4.430357 
1 1 1 11  -22 33 o 11.698  3.1782  11.467    15.221    -5.5949   21.925    27.341    21.148    9.4906  4.2361  13.906  4.7390  -4.415453      6.356306 
1 1 1 11  -22 34 o 39.442  2.4313  221.696   25.404    234.357   36.711    210.060   35.192    40.546  3.4121  38.338  3.4645  2.207489       4.862570 
1 1 1 11  -22 35 o 27.077  2.8955  109.509   20.323    114.651   28.752    104.376   28.730    27.800  3.9744  26.354  4.2118  1.445957       5.790984 
1 1 1 11  -22 36 f 43.158  2.4572  271.136   28.149    278.895   40.614    263.964   39.049    43.733  3.4964  42.583  3.4533  1.150082       4.914317 
1 1 1 11  -22 37 o 19.149  3.7334  62.755    19.944    54.513    29.061    70.093    27.421    17.751  5.5235  20.547  5.0244  -2.795574      7.466848 
1 1 1 11  -22 38 o 28.208  4.6330  129.505   33.789    129.505   33.789    0.0000    0.0000    28.208  4.6330  ?       ?       ?              ?        
1 1 1 11  -22 39 o 15.693  3.7297  38.696    20.110    74.552    31.464    13.932    26.149    19.900  5.6431  11.486  4.8783  8.413665       7.459443 
1 1 1 11  -22 40 o 14.389  3.7013  35.850    19.562    17.637    27.004    55.964    28.378    11.777  4.9771  17.001  5.4796  -5.223751      7.402577 
1 1 1 11  -22 41 o 11.017  3.3695  12.682    18.244    17.418    26.638    8.4983    25.039    11.552  4.9153  10.482  4.6102  1.069959       6.738990 
1 1 1 11  -22 42 o 13.819  3.7810  37.543    19.989    33.594    28.459    41.388    28.081    13.305  5.3055  14.333  5.3885  -1.027916      7.562048 
1 1 1 11  -22 43 o 20.134  3.5785  70.128    17.857    108.291   33.892    55.462    21.010    22.900  5.5772  17.368  4.4852  5.532104       7.156992 
1 1 1 11  -22 44 f 10.870  3.2956  18.757    16.167    21.537    30.137    17.634    19.156    11.303  5.0104  10.437  4.2826  0.8666897      6.591254 
1 1 1 11  -22 45 o 16.306  3.8095  61.311    17.919    83.196    34.988    53.530    20.862    16.672  6.0591  15.940  4.6190  0.7317877      7.618920 
1 1 1 11  -21 0  o 152.200 3.1930  3128.17   130.165   3166.50   184.835   3090.46   183.335   153.128 4.5065  151.273 4.5248  1.854828       6.386084 
1 1 1 11  -21 1  o 110.960 2.5191  1656.95   74.865    1660.24   106.478   1653.73   105.282   111.066 3.5792  110.854 3.5458  0.2127838      5.038207 
1 1 1 11  -21 2  o 80.953  2.1475  880.820   46.555    867.141   66.158    894.238   65.523    80.327  3.0749  81.579  2.9987  -1.252304      4.294999 
1 1 1 11  -21 3  o 125.865 2.7812  2136.60   93.572    1988.66   132.717   2282.84   131.949   121.500 4.0781  130.230 3.7827  -8.730164      5.562374 
1 1 1 11  -21 4  o 81.031  2.1495  882.275   46.646    873.077   66.307    891.287   65.634    80.611  3.0710  81.452  3.0084  -0.8416443     4.298996 
1 1 1 11  -21 5  o 124.788 2.7261  2096.03   91.113    2088.07   129.416   2103.86   128.298   124.549 3.8794  125.027 3.8311  -0.4778748     5.452240 
1 1 1 11  -21 6  o 143.966 3.0450  2792.88   117.410   2838.19   166.670   2748.24   165.422   145.129 4.2876  142.803 4.3248  2.325790       6.089938 
1 1 1 11  -21 7  o 90.825  2.2673  1109.19   55.115    1061.04   78.029    1157.14   77.859    88.849  3.2788  92.800  3.1323  -3.951157      4.534540 
1 1 1 11  -21 8  o 101.178 2.3889  1376.48   64.723    1340.12   91.514    1412.88   91.550    99.835  3.4223  102.520 3.3340  -2.684738      4.777791 
1 1 1 11  -21 9  o 83.066  2.1908  926.937   48.736    903.217   68.460    951.309   69.395    81.987  3.1175  84.145  3.0790  -2.157814      4.381656 
1 1 1 11  -21 10 o 113.986 2.5727  1748.13   78.546    1752.48   110.778   1743.73   111.385   114.131 3.6238  113.841 3.6529  0.2895203      5.145448 
1 1 1 11  -21 11 o 159.355 3.2423  3426.61   138.392   3429.71   195.435   3423.49   195.999   159.430 4.5766  159.281 4.5941  0.1490784      6.484686 
1 1 1 11  -21 12 o 59.863  1.9671  480.942   31.520    456.772   43.976    506.477   45.201    58.315  2.8154  61.410  2.7480  -3.095215      3.934232 
1 1 1 11  -21 13 o 88.609  2.1801  1055.47   51.734    1058.66   72.599    1052.18   73.741    88.748  3.0541  88.470  3.1119  0.2779388      4.360176 
1 1 1 11  -21 14 o 75.953  2.0466  775.383   41.625    781.487   58.345    769.055   59.403    76.261  2.8563  75.646  2.9318  0.6157990      4.093170 
1 1 1 11  -21 15 o 59.870  1.9080  481.560   30.596    478.044   43.188    485.102   43.351    59.650  2.7031  60.089  2.6935  -0.4394417     3.815978 
1 1 1 11  -21 16 o 57.593  1.9083  445.935   29.423    431.360   41.705    460.379   41.518    56.652  2.7484  58.534  2.6481  -1.882061      3.816581 
1 1 1 11  -21 17 o 168.241 3.4139  3836.47   153.833   3886.92   217.701   3786.16   217.406   169.357 4.7992  167.124 4.8567  2.233231       6.827877 
1 1 1 11  -21 18 o 36.516  1.9519  180.136   18.933    190.456   27.282    170.548   26.296    37.533  2.7325  35.499  2.7879  2.033878       3.903720 
1 1 1 11  -21 19 o 83.159  2.1340  931.150   47.517    964.584   67.798    898.869   66.617    84.630  2.9909  81.688  3.0447  2.941948       4.267936 
1 1 1 11  -21 20 o 73.980  2.0543  736.976   40.698    754.909   58.273    719.902   56.863    74.858  2.9063  73.102  2.9041  1.755951       4.108562 
1 1 1 11  -21 21 o 48.444  1.9281  317.060   24.886    318.353   36.138    315.895   34.320    48.528  2.7920  48.361  2.6598  0.1674843      3.856138 
1 1 1 11  -21 22 o 21.747  2.6735  71.355    14.291    36.519    20.948    101.680   19.545    16.159  4.6123  27.334  2.7051  -11.17495      5.347058 
1 1 1 11  -21 23 o 18.151  2.7454  45.646    12.975    60.044    19.482    34.169    17.394    20.742  3.6394  15.561  4.1114  5.180112       5.490816 
1 1 1 11  -21 24 o 36.355  2.0150  178.685   19.361    205.453   28.520    155.803   26.369    38.898  2.7552  33.811  2.9410  5.086613       4.029934 
1 1 1 11  -21 25 o 22.407  2.6034  72.413    14.645    52.467    21.345    90.157    20.131    19.194  4.2628  25.621  2.9897  -6.427525      5.206733 
1 1 1 11  -21 26 o 55.370  1.9948  416.900   29.486    402.766   42.311    430.245   41.113    54.396  2.9146  56.345  2.7242  -1.949768      3.989525 
1 1 1 11  -21 27 o 21.794  2.8137  70.394    15.446    43.741    22.396    94.572    21.331    17.420  4.6941  26.167  3.1039  -8.747829      5.627463 
1 1 1 11  -21 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -21 29 o 22.981  3.7169  74.738    22.098    0.0000    0.0000    74.738    22.098    ?       ?       22.981  3.7169  ?              ?        
1 1 1 11  -21 30 o 22.920  2.8135  74.964    16.617    78.690    24.399    71.741    22.694    23.444  4.0310  22.396  3.9261  1.047283       5.627033 
1 1 1 11  -21 31 o 31.801  2.4205  143.076   19.966    119.611   28.617    165.333   27.870    29.064  3.7644  34.537  3.0439  -5.472374      4.841089 
1 1 1 11  -21 32 o 37.486  2.3190  196.703   22.885    223.711   32.666    170.669   32.072    40.134  3.0619  34.839  3.4837  5.295258       4.637980 
1 1 1 11  -21 33 o 44.044  2.2960  271.095   26.861    290.089   38.924    253.824   37.116    45.542  3.2115  42.547  3.2823  2.995220       4.592047 
1 1 1 11  -21 34 o 31.266  2.6062  140.690   21.342    133.319   30.645    147.632   29.740    30.364  3.8549  32.168  3.5085  -1.803919      5.212471 
1 1 1 11  -21 35 o 41.100  2.4148  241.169   26.285    261.850   37.738    221.681   36.633    42.896  3.3101  39.304  3.5169  3.592720       4.829671 
1 1 1 11  -21 36 o 12.711  3.4561  20.325    16.671    15.644    24.662    24.265    22.623    12.202  4.9134  13.221  4.8619  -1.018446      6.912266 
1 1 1 11  -21 37 o 30.383  2.8840  140.168   22.820    136.971   33.074    143.074   31.526    29.902  4.2491  30.863  3.9007  -0.9617939     5.768013 
1 1 1 11  -21 38 o 12.754  3.2477  17.473    16.872    45.400    23.672    -11.3636  24.054    16.447  4.9606  9.0607  4.1933  7.386271       6.495429 
1 1 1 11  -21 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -21 40 o 15.699  3.8940  46.718    20.503    39.614    29.973    52.965    28.107    14.670  5.5554  16.728  5.4582  -2.057731      7.788086 
1 1 1 11  -21 41 o 23.571  4.0142  104.992   25.070    83.571    32.943    134.470   38.644    20.479  5.7627  26.663  5.5898  -6.183592      8.028403 
1 1 1 11  -21 42 o 13.067  3.3876  30.642    15.197    25.945    28.441    32.518    17.978    12.525  5.1868  13.609  4.3589  -1.083740      6.775146 
1 1 1 11  -21 43 o 22.407  3.4897  86.442    18.915    116.053   35.364    74.577    22.386    23.982  5.6058  20.831  4.1579  3.151711       6.979492 
1 1 1 11  -21 44 o 11.436  3.3687  21.984    16.147    25.243    29.972    20.651    19.166    11.854  5.1308  11.019  4.3665  0.8347063      6.737326 
1 1 1 11  -21 45 o 20.744  3.8225  90.418    19.979    116.178   37.552    80.247    23.596    21.050  6.2250  20.437  4.4378  0.6133747      7.644906 
1 1 1 11  -20 0  o 156.480 3.2156  3300.11   134.762   3360.82   191.297   3240.30   189.876   157.914 4.5227  155.046 4.5722  2.868103       6.431125 
1 1 1 11  -20 1  o 163.626 3.3291  3609.25   145.901   3610.89   207.087   3607.63   205.593   163.659 4.7241  163.592 4.6920  0.6663513E-01  6.658248 
1 1 1 11  -20 2  o 95.320  2.3224  1220.78   59.286    1205.13   84.176    1236.19   83.515    94.710  3.3182  95.929  3.2503  -1.218605      4.644888 
1 1 1 11  -20 3  f 42.899  1.8659  248.050   21.310    233.872   30.098    262.300   30.176    41.658  2.7123  44.141  2.5633  -2.483028      3.731889 
1 1 1 11  -20 4  o 168.805 3.4426  3843.41   155.566   3709.18   220.603   3976.19   219.410   165.849 4.9660  171.761 4.7692  -5.911682      6.885245 
1 1 1 11  -20 5  o 145.716 3.0649  2859.27   119.593   2797.10   169.662   2920.66   168.602   144.131 4.3948  147.301 4.2733  -3.170395      6.129889 
1 1 1 11  -20 6  o 124.631 2.7466  2089.16   91.681    2068.61   130.027   2109.48   129.288   124.017 3.9144  125.245 3.8540  -1.227303      5.493237 
1 1 1 11  -20 7  f 78.561  2.0860  828.574   43.889    809.715   61.891    847.651   62.246    77.660  2.9754  79.462  2.9246  -1.801720      4.172088 
1 1 1 11  -20 8  o 90.542  2.2348  1101.00   54.196    1098.89   76.459    1103.15   76.832    90.455  3.1558  90.629  3.1651  -0.1744232     4.469514 
1 1 1 11  -20 9  o 45.562  1.8731  280.005   22.714    289.861   31.518    269.356   32.762    46.410  2.5452  44.714  2.7488  1.695526       3.746229 
1 1 1 11  -20 10 o 19.198  2.6999  51.286    13.389    58.171    19.216    44.789    18.666    20.500  3.6326  17.896  3.9952  2.603685       5.399714 
1 1 1 11  -20 11 o 12.955  2.9411  22.070    11.594    19.213    17.394    24.354    15.552    12.518  4.2974  13.393  4.0166  -0.8750858     5.882196 
1 1 1 11  -20 12 o 105.266 2.4021  1489.68   67.711    1512.67   95.263    1466.20   96.261    106.092 3.3524  104.440 3.4411  1.652031       4.804124 
1 1 1 11  -20 13 o 155.951 3.1666  3278.32   132.273   3274.87   186.566   3281.81   187.564   155.871 4.4687  156.032 4.4879  -0.1608276     6.333294 
1 1 1 11  -20 14 o 97.131  2.3054  1268.23   59.970    1282.26   84.415    1253.94   85.211    97.677  3.2265  96.585  3.2938  1.091675       4.610827 
1 1 1 11  -20 15 o 66.563  1.9351  594.956   34.501    598.171   48.885    591.765   48.699    66.742  2.7346  66.384  2.7389  0.3585892      3.870292 
1 1 1 11  -20 16 o 99.891  2.3117  1342.24   61.821    1293.74   87.439    1390.72   87.418    98.079  3.3284  101.703 3.2090  -3.624420      4.623460 
1 1 1 11  -20 17 o 105.682 2.3961  1503.07   67.782    1573.84   96.274    1433.51   95.447    108.159 3.3232  103.206 3.4528  4.953255       4.792213 
1 1 1 11  -20 18 f 141.369 2.9791  2697.95   112.801   2717.83   159.979   2678.28   159.075   141.888 4.2095  140.850 4.2165  1.037888       5.958106 
1 1 1 11  -20 19 o 94.115  2.2717  1192.35   57.259    1196.36   81.661    1188.48   80.308    94.267  3.2342  93.962  3.1909  0.3046799      4.543349 
1 1 1 11  -20 20 o 120.895 2.6579  1972.58   86.037    2047.97   122.681   1899.63   120.694   123.178 3.7184  118.613 3.7990  4.565109       5.315874 
1 1 1 11  -20 21 o 81.815  2.1420  902.154   46.903    889.534   67.384    914.016   65.327    81.249  3.0963  82.382  2.9606  -1.132103      4.283929 
1 1 1 11  -20 22 o 31.186  2.1097  132.307   17.324    131.907   25.749    132.638   23.415    31.119  3.1317  31.254  2.8277  -0.1350441     4.219463 
1 1 1 11  -20 23 o 7.2386  2.3615  -11.9876  10.678    -14.3036  15.511    -9.9011   14.722    7.1427  3.3266  7.3344  3.3525  -0.1916137     4.722902 
1 1 1 11  -20 24 o 54.617  1.9706  403.350   28.737    396.469   41.463    409.711   39.864    54.118  2.8707  55.115  2.7003  -0.9969177     3.941156 
1 1 1 11  -20 25 o 64.482  2.0327  561.882   35.098    571.784   50.334    552.511   48.966    65.032  2.8897  63.933  2.8595  1.099075       4.065332 
1 1 1 11  -20 26 o 57.056  2.0398  441.281   31.103    445.583   44.806    437.280   43.210    57.278  2.9303  56.834  2.8385  0.4447365      4.079680 
1 1 1 11  -20 27 o 55.515  2.0266  418.014   30.053    441.122   43.456    396.830   41.608    57.026  2.8450  54.004  2.8869  3.022457       4.053212 
1 1 1 11  -20 28 o 40.459  2.1357  224.028   22.943    225.691   33.410    222.544   31.562    40.579  3.0972  40.339  2.9414  0.2403069      4.271392 
1 1 1 11  -20 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -20 30 o 37.368  2.5025  183.815   23.889    236.070   40.861    156.679   29.446    41.130  3.7503  33.606  3.3145  7.524620       5.005040 
1 1 1 11  -20 31 o 54.238  2.1716  405.224   31.404    408.764   45.175    401.913   43.686    54.448  3.1105  54.027  3.0311  0.4206161      4.343104 
1 1 1 11  -20 32 o 44.691  2.2351  276.336   26.529    301.117   38.429    253.773   36.668    46.642  3.0936  42.741  3.2268  3.900833       4.470214 
1 1 1 11  -20 33 o 33.053  2.5390  154.038   21.874    182.767   31.847    128.381   30.096    36.112  3.3300  29.994  3.8338  6.117311       5.078094 
1 1 1 11  -20 34 o 58.193  2.3003  474.151   35.695    493.477   50.798    455.301   50.169    59.405  3.2044  56.981  3.3012  2.423733       4.600692 
1 1 1 11  -20 35 o 46.317  2.3399  303.265   28.828    312.615   41.415    294.476   40.152    47.012  3.3101  45.623  3.3082  1.388634       4.679884 
1 1 1 11  -20 36 o 35.292  2.6442  181.540   24.514    198.017   34.761    165.239   34.577    37.039  3.5473  33.546  3.9222  3.492828       5.288417 
1 1 1 11  -20 37 o 11.319  3.2789  10.731    16.066    3.3863    22.455    18.434    22.997    10.323  4.4546  12.315  4.8127  -1.992076      6.557854 
1 1 1 11  -20 38 o 16.148  3.3944  39.960    18.265    10.113    25.696    70.438    25.966    11.441  4.8462  20.855  4.7541  -9.413885      6.788766 
1 1 1 11  -20 39 o 12.200  4.9479  18.777    25.204    18.777    25.204    0.0000    0.0000    12.200  4.9479  ?       ?       ?              ?        
1 1 1 11  -20 40 o 13.573  2.9461  32.917    13.970    -1.2102   26.749    45.717    16.382    10.129  4.5862  17.018  3.6994  -6.889696      5.892285 
1 1 1 11  -20 41 o 16.216  3.4969  42.319    15.311    64.864    29.006    33.611    18.028    18.392  5.4785  14.040  4.3474  4.351186       6.993802 
1 1 1 11  -20 42 o 9.7603  3.0293  5.9675    13.843    8.8892    26.452    4.8655    16.245    10.694  4.7195  8.8262  3.7989  1.868119       6.058503 
1 1 1 11  -20 43 o 13.115  3.3684  31.950    15.274    22.607    29.780    35.284    17.792    12.116  5.1773  14.114  4.3103  -1.998010      6.736716 
1 1 1 11  -20 44 o 19.473  3.5965  72.439    17.901    83.957    32.827    67.564    21.355    19.354  5.8424  19.592  4.1960  -0.2370167     7.193079 
1 1 1 11  -20 45 o 28.431  3.1294  142.409   21.919    177.719   38.441    125.398   26.682    29.925  4.9703  26.937  3.8039  2.987738       6.258880 
1 1 1 11  -19 0  o 66.435  2.0145  592.908   35.803    561.075   50.774    624.390   50.494    64.655  2.9319  68.214  2.7636  -3.558945      4.029070 
1 1 1 11  -19 1  o 108.182 2.4712  1572.06   71.604    1585.05   101.853   1559.37   100.684   108.623 3.5008  107.741 3.4889  0.8823929      4.942448 
1 1 1 11  -19 2  o 98.168  2.3722  1294.89   62.343    1252.90   88.495    1336.26   87.840    96.582  3.4208  99.755  3.2876  -3.172379      4.744483 
1 1 1 11  -19 3  o 92.409  2.2376  1147.86   55.306    1085.32   78.572    1209.27   77.862    89.904  3.2629  94.913  3.0627  -5.009842      4.475119 
1 1 1 11  -19 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 9  o 29.936  4.5453  123.367   35.300    123.367   35.300    0.0000    0.0000    29.936  4.5453  ?       ?       ?              ?        
1 1 1 11  -19 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 15 o 138.151 2.9043  2570.53   107.395   2460.52   151.798   2680.78   151.962   135.175 4.1926  141.127 4.0201  -5.951508      5.808512 
1 1 1 11  -19 16 o 41.304  1.8741  230.514   20.569    215.530   29.430    244.823   28.759    39.972  2.7659  42.637  2.5296  -2.665066      3.748182 
1 1 1 11  -19 17 o 13.795  2.9398  25.507    11.867    31.144    17.158    20.338    16.430    14.980  4.1389  12.610  4.1760  2.369816       5.879577 
1 1 1 11  -19 18 o 104.005 2.3842  1454.61   66.412    1477.42   94.696    1432.53   93.166    104.807 3.3733  103.202 3.3704  1.604294       4.768475 
1 1 1 11  -19 19 o 144.261 3.0113  2808.12   116.349   2806.90   165.377   2809.32   163.720   144.224 4.2810  144.298 4.2360  -0.7362366E-01 6.022529 
1 1 1 11  -19 20 o 109.663 2.5006  1619.30   73.433    1668.83   104.911   1571.73   102.821   111.310 3.5188  108.017 3.5539  3.292984       5.001223 
1 1 1 11  -19 21 o 82.432  2.1561  913.782   47.587    942.887   68.439    886.541   66.212    83.701  3.0527  81.163  3.0457  2.538544       4.312237 
1 1 1 11  -19 22 o 54.820  1.9774  405.972   28.890    387.365   41.833    422.939   39.946    53.563  2.9269  56.076  2.6595  -2.512844      3.954718 
1 1 1 11  -19 23 o 92.757  2.3312  1162.52   57.840    1108.53   82.517    1214.67   81.097    90.614  3.3998  94.899  3.1905  -4.284576      4.662406 
1 1 1 11  -19 24 o 8.7031  2.7233  -5.7079   12.547    -9.1381   18.669    -2.8815   16.946    8.5888  3.8654  8.8173  3.8372  -0.2285233     5.446588 
1 1 1 11  -19 25 o 85.220  2.2511  981.990   51.373    985.619   73.469    978.517   71.861    85.367  3.2131  85.074  3.1536  0.2928391      4.502162 
1 1 1 11  -19 26 o 46.245  2.0574  292.825   25.111    257.430   36.377    325.045   34.707    43.490  3.1441  48.999  2.6544  -5.509644      4.114723 
1 1 1 11  -19 27 o 46.016  2.0796  288.574   25.445    274.355   36.488    302.034   35.501    44.878  3.0536  47.153  2.8239  -2.275112      4.159205 
1 1 1 11  -19 28 o 58.001  2.0904  456.848   32.384    484.858   46.703    430.911   44.942    59.760  2.9178  56.241  2.9942  3.518616       4.180722 
1 1 1 11  -19 29 o 54.495  2.1124  404.970   30.674    434.522   44.284    377.713   42.530    56.425  2.9403  52.565  3.0336  3.859989       4.224704 
1 1 1 11  -19 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -19 31 o 28.349  2.4740  112.771   18.317    106.264   26.412    118.800   25.424    27.485  3.6801  29.212  3.3075  -1.727602      4.948047 
1 1 1 11  -19 32 o 16.254  3.1935  38.626    15.188    22.192    22.019    53.541    20.977    13.327  4.8124  19.182  4.1993  -5.855513      6.386902 
1 1 1 11  -19 33 o 30.634  2.5045  132.207   20.166    133.785   28.911    130.712   28.142    30.802  3.5705  30.466  3.5131  0.3357315      5.008990 
1 1 1 11  -19 34 o 66.086  2.3328  609.139   41.217    621.248   58.375    597.101   58.204    66.807  3.2623  65.366  3.3355  1.440834       4.665610 
1 1 1 11  -19 35 o 31.519  2.7065  142.862   22.352    152.214   32.270    134.237   30.990    32.552  3.7710  30.487  3.8832  2.065121       5.412922 
1 1 1 11  -19 36 o 28.462  2.8583  119.571   21.083    111.201   30.290    127.437   29.364    27.331  4.2780  29.594  3.7917  -2.262804      5.716506 
1 1 1 11  -19 37 o 15.589  3.5801  37.340    18.005    51.682    24.948    21.748    26.012    17.997  4.9976  13.181  5.1276  4.816475       7.160141 
1 1 1 11  -19 38 o 46.509  2.2940  315.112   27.484    301.608   44.000    323.751   35.194    45.213  3.6648  47.806  2.7603  -2.593082      4.588043 
1 1 1 11  -19 39 o 9.6342  2.8875  5.2893    11.609    10.318    22.452    3.4542    13.563    10.916  4.5716  8.3528  3.5285  2.562855       5.774951 
1 1 1 11  -19 40 o 9.1237  3.9045  4.4331    16.984    0.0000    0.0000    4.4331    16.984    ?       ?       9.1237  3.9045  ?              ?        
1 1 1 11  -19 41 o 11.687  3.2864  18.396    14.295    24.200    26.606    16.041    16.949    12.623  5.0962  10.750  4.1509  1.873156       6.572730 
1 1 1 11  -19 42 o 11.645  3.3209  17.804    14.422    28.656    27.992    13.883    16.827    13.017  5.2371  10.274  4.0851  2.743634       6.641877 
1 1 1 11  -19 43 f 23.076  3.4409  100.294   19.428    84.245    34.274    107.893   23.583    19.955  5.9578  26.198  3.4444  -6.243196      6.881767 
1 1 1 11  -19 44 o 13.793  3.3697  37.099    15.024    29.831    29.925    39.549    17.373    12.656  5.2872  14.930  4.1791  -2.273639      6.739414 
1 1 1 11  -19 45 o 7.8462  2.6655  -19.7081  13.457    10.505    25.990    -30.7742  15.729    10.181  4.5732  5.5118  2.7397  4.668852       5.331084 
1 1 1 11  -19 46 o 11.652  3.3428  30.096    16.593    19.777    33.034    33.578    19.189    10.725  4.9459  12.580  4.4982  -1.855648      6.685546 
1 1 1 11  -18 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -18 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -18 2  o 54.196  1.8619  394.003   27.022    383.487   38.091    404.658   38.341    53.467  2.6598  54.925  2.6062  -1.457867      3.723772 
1 1 1 11  -18 3  o 109.113 2.5019  1604.62   72.766    1426.82   103.092   1781.15   102.721   103.050 3.7350  115.175 3.3298  -12.12525      5.003737 
1 1 1 11  -18 4  o 155.186 3.1932  3241.11   132.713   3195.84   188.221   3285.87   187.152   154.101 4.5601  156.271 4.4712  -2.169983      6.386434 
1 1 1 11  -18 5  o 84.730  2.1374  963.574   48.506    959.692   68.771    967.418   68.427    84.560  3.0363  84.901  3.0090  -0.3413544     4.274776 
1 1 1 11  -18 6  o 191.461 3.7742  4942.72   193.547   4940.58   274.090   4944.86   273.346   191.417 5.3459  191.504 5.3290  -0.8691406E-01 7.548314 
1 1 1 11  -18 7  o 112.161 2.5256  1690.01   75.870    1666.30   107.196   1713.81   107.397   111.370 3.5935  112.951 3.5499  -1.581055      5.051221 
1 1 1 11  -18 8  o 87.874  2.1716  1036.41   51.100    1005.91   71.857    1067.60   72.683    86.565  3.0991  89.183  3.0427  -2.618561      4.343130 
1 1 1 11  -18 9  o 113.344 2.5108  1725.84   76.223    1716.21   107.389   1735.62   108.206   113.025 3.5473  113.662 3.5543  -0.6364594     5.021534 
1 1 1 11  -18 10 o 179.781 3.5587  4356.44   171.365   4356.18   241.956   4356.71   242.739   179.778 5.0247  179.785 5.0408  -0.7110596E-02 7.117382 
1 1 1 11  -18 11 o 138.221 2.8700  2569.48   106.251   2549.00   149.851   2590.19   150.675   137.667 4.0639  138.776 4.0536  -1.109177      5.739918 
1 1 1 11  -18 12 o 133.681 2.8199  2403.33   100.970   2393.73   142.421   2413.02   143.167   133.413 3.9855  133.949 3.9904  -0.5359802     5.639836 
1 1 1 11  -18 13 o 142.213 2.9541  2721.32   112.526   2704.12   158.903   2738.62   159.370   141.761 4.1849  142.665 4.1706  -0.9037781     5.908259 
1 1 1 11  -18 14 o 152.587 3.1277  3135.30   127.812   3073.18   180.710   3197.48   180.798   151.066 4.4661  154.107 4.3801  -3.041061      6.255462 
1 1 1 11  -18 15 o 79.326  2.4580  853.293   49.887    870.296   62.487    823.410   82.841    80.516  2.8975  78.136  3.9713  2.380524       4.915985 
1 1 1 11  -18 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -18 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -18 18 o 70.188  1.9907  660.896   37.407    684.013   53.848    639.335   52.005    71.373  2.8167  69.002  2.8138  2.370117       3.981376 
1 1 1 11  -18 19 o 72.670  2.0292  709.919   39.457    693.769   56.706    725.078   54.938    71.863  2.9461  73.478  2.7914  -1.615295      4.058478 
1 1 1 11  -18 20 o 75.343  2.0604  761.704   41.545    805.556   59.946    721.175   57.630    77.429  2.8905  73.258  2.9370  4.171371       4.120777 
1 1 1 11  -18 21 o 30.334  2.2370  124.921   17.889    128.905   26.039    121.360   24.618    30.791  3.2043  29.878  3.1223  0.9126053      4.473948 
1 1 1 11  -18 22 o 144.509 3.0973  2825.38   119.820   2733.88   170.052   2915.60   168.856   142.157 4.4661  146.862 4.2926  -4.704803      6.194519 
1 1 1 11  -18 23 o 96.085  2.3636  1244.95   60.812    1228.60   86.736    1260.75   85.283    95.455  3.3924  96.715  3.2922  -1.259995      4.727251 
1 1 1 11  -18 24 o 82.575  2.2301  919.687   49.301    911.077   70.641    927.863   68.839    82.188  3.2089  82.962  3.0979  -0.7735901     4.460270 
1 1 1 11  -18 25 o 35.432  2.2517  171.977   20.975    157.990   30.708    184.211   28.718    34.019  3.4162  36.844  2.9344  -2.824757      4.503409 
1 1 1 11  -18 26 o 63.162  2.0752  538.347   35.051    581.845   50.303    497.298   48.866    65.653  2.8606  60.671  3.0071  4.982224       4.150319 
1 1 1 11  -18 27 o 56.013  2.0580  425.052   30.755    442.039   44.239    409.162   42.785    57.100  2.9021  54.926  2.9187  2.173908       4.115927 
1 1 1 11  -18 28 o 52.440  2.0937  373.894   29.280    377.361   41.962    370.605   40.875    52.670  2.9867  52.209  2.9349  0.4613113      4.187378 
1 1 1 11  -18 29 o 127.498 2.9237  2239.96   99.844    2232.41   141.100   2247.53   141.302   127.279 4.1389  127.716 4.1306  -0.4372787     5.847410 
1 1 1 11  -18 30 o 51.906  2.1292  368.424   29.463    372.166   42.376    364.923   40.993    52.149  3.0470  51.664  2.9749  0.4857941      4.258477 
1 1 1 11  -18 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -18 32 o 48.766  2.2214  328.139   28.847    321.783   41.138    334.288   40.461    48.273  3.1997  49.259  3.0822  -0.9857788     4.442774 
1 1 1 11  -18 33 o 31.886  2.4524  142.526   20.601    138.930   29.133    146.123   29.136    31.460  3.5175  32.313  3.4183  -0.8526077     4.904837 
1 1 1 11  -18 34 o 73.151  2.3757  745.303   46.459    793.647   65.514    696.401   65.892    75.641  3.2336  70.662  3.4814  4.979362       4.751498 
1 1 1 11  -18 35 o 23.578  3.0541  82.286    18.520    91.473    25.994    72.816    26.392    25.095  4.0016  22.061  4.6148  3.034555       6.108130 
1 1 1 11  -18 36 o 40.715  2.4488  236.658   26.291    262.534   37.102    210.560   37.261    43.122  3.2358  38.309  3.6764  4.812710       4.897648 
1 1 1 11  -18 37 o 8.1118  2.5047  -2.6268   10.799    -21.7255  19.185    6.2311    13.065    7.3664  3.5112  8.8572  3.5728  -1.490821      5.009356 
1 1 1 11  -18 38 f 25.800  2.6848  92.529    17.383    131.059   29.360    71.731    21.571    29.732  3.7715  21.867  3.8221  7.865005       5.369567 
1 1 1 11  -18 39 o 19.034  3.2293  58.711    15.549    56.567    27.454    59.724    18.866    18.230  5.3033  19.839  3.6861  -1.609154      6.458525 
1 1 1 11  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -18 41 o 14.505  2.9643  38.045    15.136    -1.1056   26.790    56.402    18.345    10.120  4.5854  18.889  3.7581  -8.769176      5.928670 
1 1 1 11  -18 42 o 18.311  3.5356  60.136    17.059    63.292    30.781    58.737    20.494    17.842  5.7023  18.780  4.1817  -0.9383526     7.071280 
1 1 1 11  -18 43 o 16.689  3.5370  46.218    16.309    74.616    29.314    33.486    19.628    19.633  5.4039  13.744  4.5650  5.888716       7.073945 
1 1 1 11  -18 44 o 16.575  3.7349  50.420    17.348    72.405    32.375    41.565    20.546    18.194  5.8516  14.956  4.6428  3.237933       7.469772 
1 1 1 11  -18 45 o 10.763  3.1791  17.404    16.300    -7.1340   31.474    26.397    19.054    9.5645  4.5413  11.961  4.4500  -2.396150      6.358185 
1 1 1 11  -18 46 o 13.110  3.0282  37.997    16.807    -15.3545  32.502    57.471    19.636    8.8609  4.3088  17.358  4.2561  -8.497580      6.056373 
1 1 1 11  -17 0  f 188.199 3.7352  4772.53   188.284   4761.79   266.935   4783.17   265.617   187.984 5.3015  188.414 5.2632  -0.4299316     7.470423 
1 1 1 11  -17 1  o 36.050  1.7775  175.512   17.010    162.694   24.195    188.039   23.920    34.730  2.6203  37.370  2.4024  -2.640545      3.554915 
1 1 1 11  -17 2  o 122.071 2.6720  2005.41   87.165    1856.55   123.607   2152.65   122.935   117.542 3.9261  126.600 3.6254  -9.057861      5.343924 
1 1 1 11  -17 3  o 138.311 2.8402  2570.85   105.215   2593.13   149.409   2548.93   148.190   138.906 4.0158  137.716 4.0174  1.189285       5.680310 
1 1 1 11  -17 4  o 97.081  2.2747  1265.57   59.123    1228.99   83.906    1301.64   83.321    95.683  3.2739  98.479  3.1588  -2.795204      4.549357 
1 1 1 11  -17 5  f 86.354  2.1445  1000.69   49.602    1002.38   70.268    999.008   70.027    86.426  3.0354  86.281  3.0301  0.1450119      4.289013 
1 1 1 11  -17 6  o 87.811  2.1544  1034.78   50.671    1026.46   71.540    1043.15   71.780    87.456  3.0540  88.165  3.0396  -0.7089767     4.308836 
1 1 1 11  -17 7  o 47.191  1.7766  299.565   22.361    301.114   31.129    297.914   32.143    47.321  2.4645  47.060  2.5596  0.2604065      3.553227 
1 1 1 11  -17 8  o 166.704 3.3373  3740.89   149.005   3779.49   210.488   3702.12   210.962   167.571 4.6896  165.837 4.7493  1.734604       6.674505 
1 1 1 11  -17 9  o 178.859 3.5345  4309.15   169.322   4261.25   239.035   4357.39   239.882   177.857 5.0177  179.860 4.9794  -2.003036      7.069018 
1 1 1 11  -17 10 o 66.045  1.8583  584.932   32.867    571.835   46.007    598.583   46.971    65.290  2.6308  66.800  2.6252  -1.509773      3.716560 
1 1 1 11  -17 11 o 39.602  1.7528  211.222   18.491    213.275   25.862    209.074   26.449    39.803  2.4376  39.401  2.5194  0.4023590      3.505609 
1 1 1 11  -17 12 o 118.590 2.5525  1889.59   81.073    1865.17   114.455   1914.19   114.854   117.819 3.6269  119.361 3.5925  -1.542091      5.104906 
1 1 1 11  -17 13 o 132.697 2.7610  2367.50   98.130    2392.59   138.888   2342.50   138.666   133.402 3.8870  131.993 3.9222  1.408554       5.522003 
1 1 1 11  -17 14 o 59.053  1.8286  467.981   28.916    460.466   41.144    475.315   40.647    58.583  2.6221  59.523  2.5495  -0.9400520     3.657205 
1 1 1 11  -17 15 f 96.620  2.2558  1253.57   58.376    1271.57   83.036    1235.98   82.083    97.306  3.1859  95.934  3.1944  1.372253       4.511595 
1 1 1 11  -17 16 o 86.271  2.1635  1000.21   49.949    970.710   71.430    1028.44   69.874    85.019  3.1367  87.522  2.9806  -2.503281      4.327002 
1 1 1 11  -17 17 o 199.085 3.9155  5355.08   208.758   5483.62   296.283   5228.35   294.185   201.472 5.4904  196.698 5.5838  4.774353       7.830931 
1 1 1 11  -17 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -17 19 o 48.443  4.1481  318.302   53.304    0.0000    0.0000    318.302   53.304    ?       ?       48.443  4.1481  ?              ?        
1 1 1 11  -17 20 o 56.847  1.9349  433.955   29.430    433.270   42.596    434.580   40.709    56.801  2.7997  56.894  2.6714  -0.9279251E-01 3.869755 
1 1 1 11  -17 21 o 138.079 2.9239  2570.24   108.132   2564.75   153.691   2575.61   152.164   137.927 4.1602  138.230 4.1098  -0.3028259     5.847860 
1 1 1 11  -17 22 o 90.246  2.2955  1096.76   55.435    1059.51   79.195    1132.55   77.623    88.731  3.3322  91.761  3.1582  -3.029877      4.591070 
1 1 1 11  -17 23 o 90.935  2.3276  1114.50   56.642    1076.01   80.827    1151.65   79.399    89.378  3.3763  92.492  3.2049  -3.114586      4.655208 
1 1 1 11  -17 24 o 38.647  2.1022  202.814   21.517    193.555   31.276    211.136   29.649    37.780  3.1185  39.513  2.8200  -1.732349      4.204485 
1 1 1 11  -17 25 o 78.187  2.2047  823.960   46.161    845.518   66.043    803.369   64.545    79.187  3.1138  77.186  3.1220  2.000343       4.409357 
1 1 1 11  -17 26 o 86.675  2.3196  1015.06   53.846    1034.62   76.661    996.022   75.649    87.501  3.2710  85.849  3.2899  1.652084       4.639225 
1 1 1 11  -17 27 o 21.707  2.7928  67.171    15.471    52.672    22.354    80.500    21.432    19.268  4.4248  24.146  3.4088  -4.877443      5.585537 
1 1 1 11  -17 28 o 54.482  2.0845  402.956   30.296    401.532   43.335    404.318   42.372    54.378  2.9868  54.586  2.9085  -0.2082024     4.168973 
1 1 1 11  -17 29 o 60.529  2.1365  498.032   34.569    512.109   49.033    484.120   48.745    61.428  2.9801  59.629  3.0623  1.799046       4.273060 
1 1 1 11  -17 30 o 69.611  2.2155  660.506   41.306    652.822   58.404    668.196   58.428    69.199  3.1510  70.023  3.1153  -0.8240738     4.431022 
1 1 1 11  -17 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -17 32 o 42.371  2.2209  247.526   25.023    243.303   35.332    251.776   35.444    41.998  3.1642  42.744  3.1173  -0.7468109     4.441782 
1 1 1 11  -17 33 o 12.229  3.0942  15.615    13.850    30.496    19.790    1.3281    19.391    14.642  4.5584  9.8151  4.1854  4.826946       6.188418 
1 1 1 11  -17 34 o 44.297  2.3003  272.990   27.099    276.106   38.193    269.832   38.456    44.569  3.2211  44.025  3.2849  0.5437775      4.600627 
1 1 1 11  -17 35 o 33.790  2.1680  154.603   18.988    182.683   31.003    137.748   24.020    36.109  3.2400  31.470  2.8815  4.638351       4.336020 
1 1 1 11  -17 36 o 6.6910  2.1843  -6.9790   8.4548    -22.4627  17.438    -2.2208   9.6670    6.8981  3.3042  6.4838  2.8577  0.4142962      4.368523 
1 1 1 11  -17 37 o 24.104  2.8498  88.916    16.659    76.205    27.844    96.003    20.790    22.208  4.8194  26.001  3.0428  -3.792992      5.699638 
1 1 1 11  -17 38 o 29.306  2.6171  127.243   19.098    122.139   31.602    130.179   23.969    28.400  4.2881  30.213  3.0017  -1.812944      5.234286 
1 1 1 11  -17 39 o 12.779  3.2734  23.381    13.880    24.128    24.225    23.016    16.934    13.117  4.9878  12.442  4.2407  0.6747665      6.546885 
1 1 1 11  -17 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -17 41 o 15.089  2.9806  41.888    15.325    2.0435    27.364    60.096    18.498    10.529  4.7136  19.649  3.6492  -9.119815      5.961122 
1 1 1 11  -17 42 o 28.395  2.8520  120.139   20.218    168.962   35.227    96.158    24.689    32.242  4.1773  24.548  3.8840  7.693193       5.704014 
1 1 1 11  -17 43 o 11.411  3.2294  11.638    14.048    39.053    26.612    1.0468    16.541    14.392  5.2762  8.4292  3.7254  5.963295       6.458823 
1 1 1 11  -17 44 o 22.931  3.4315  88.318    19.337    121.061   34.748    73.629    23.274    25.249  5.3067  20.613  4.3520  4.635471       6.863001 
1 1 1 11  -17 45 o 18.687  3.6599  71.577    18.404    71.295    34.098    71.693    21.862    17.173  6.0099  20.200  4.1785  -3.026234      7.319766 
1 1 1 11  -17 46 o 16.774  3.8695  56.203    18.946    105.549   35.503    36.556    22.402    20.528  6.0477  13.019  4.8289  7.509213       7.739084 
1 1 1 11  -16 0  o 168.602 3.3944  3824.91   153.287   3810.73   217.406   3838.93   216.160   168.288 4.8231  168.917 4.7776  -0.6290436     6.788862 
1 1 1 11  -16 1  o 61.700  1.8753  510.578   30.988    509.611   44.157    511.516   43.496    61.642  2.6745  61.759  2.6295  -0.1165390     3.750574 
1 1 1 11  -16 2  o 213.512 4.1310  6149.41   236.119   5929.39   334.448   6368.05   333.400   209.674 5.9552  217.349 5.7269  -7.674973      8.262039 
1 1 1 11  -16 3  o 292.935 5.4689  11632.24  428.915   11251.73  607.018   12011.65  606.138   288.090 7.8666  297.780 7.5995  -9.690186      10.93781 
1 1 1 11  -16 4  o 67.430  1.8964  609.980   34.237    592.146   48.499    627.696   48.339    66.445  2.7251  68.414  2.6379  -1.968681      3.792732 
1 1 1 11  -16 5  o 184.542 3.6266  4584.76   179.260   4601.38   253.896   4568.24   253.131   184.876 5.1273  184.208 5.1304  0.6676178      7.253242 
1 1 1 11  -16 6  o 79.068  2.0260  838.620   42.907    834.790   60.497    842.496   60.864    78.886  2.8631  79.249  2.8673  -0.3630600     4.052059 
1 1 1 11  -16 7  o 25.590  1.9488  88.523    12.981    72.218    17.752    107.259   19.030    23.014  2.9475  28.166  2.5501  -5.152113      3.897572 
1 1 1 11  -16 8  o 112.419 2.4709  1696.75   74.400    1686.51   104.758   1707.18   105.683   112.077 3.4897  112.761 3.4991  -0.6839752     4.941815 
1 1 1 11  -16 9  o 70.463  1.8859  666.018   35.584    668.992   49.799    662.916   50.864    70.625  2.6325  70.301  2.7012  0.3241882      3.771823 
1 1 1 11  -16 10 o 64.712  1.8362  561.558   31.822    555.592   44.564    567.765   45.456    64.362  2.5850  65.063  2.6084  -0.7004013     3.672315 
1 1 1 11  -16 11 o 98.456  2.2233  1301.05   58.629    1287.32   82.657    1314.94   83.173    97.933  3.1511  98.979  3.1373  -1.045776      4.446562 
1 1 1 11  -16 12 o 50.812  1.7090  346.261   23.258    342.385   32.913    350.127   32.870    50.528  2.4319  51.097  2.4017  -0.5689278     3.417984 
1 1 1 11  -16 13 o 17.328  2.3147  41.457    10.331    47.418    15.091    36.198    14.173    18.539  3.1520  16.117  3.3906  2.421665       4.629350 
1 1 1 11  -16 14 o 97.837  2.2504  1285.31   58.964    1275.83   83.857    1294.57   82.927    97.478  3.2118  98.196  3.1529  -0.7177582     4.500718 
1 1 1 11  -16 15 o 166.152 3.3387  3718.34   148.576   3768.60   210.976   3668.90   209.269   167.268 4.7090  165.036 4.7341  2.232483       6.677328 
1 1 1 11  -16 16 o 167.537 3.3452  3781.80   150.104   3772.24   213.247   3791.19   211.325   167.321 4.7582  167.753 4.7032  -0.4313049     6.690323 
1 1 1 11  -16 17 o 81.148  2.1171  885.479   45.939    850.256   66.017    918.549   63.968    79.573  3.0974  82.722  2.8870  -3.148399      4.234240 
1 1 1 11  -16 18 o 178.888 3.5714  4317.14   171.118   4307.61   242.972   4326.51   241.034   178.686 5.0767  179.091 5.0248  -0.4049683     7.142881 
1 1 1 11  -16 19 o 58.935  4.1984  469.950   65.841    469.950   65.841    0.0000    0.0000    58.935  4.1984  ?       ?       ?              ?        
1 1 1 11  -16 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -16 21 o 102.703 2.4278  1417.98   66.775    1449.79   95.349    1387.36   93.546    103.834 3.4283  101.573 3.4384  2.261726       4.855545 
1 1 1 11  -16 22 o 99.557  2.3923  1332.51   63.757    1397.44   91.250    1270.58   89.120    101.930 3.3423  97.183  3.4237  4.746880       4.784618 
1 1 1 11  -16 23 o 127.162 2.8255  2180.97   96.229    2166.66   136.672   2195.03   135.512   126.742 4.0260  127.582 3.9655  -0.8405991     5.650993 
1 1 1 11  -16 24 o 33.892  2.1636  155.711   19.417    158.898   28.067    152.786   26.891    34.222  3.0954  33.562  3.0238  0.6599007      4.327254 
1 1 1 11  -16 25 o 86.692  2.3030  1012.95   53.466    1042.01   76.150    984.690   75.087    87.922  3.2336  85.462  3.2802  2.460464       4.606054 
1 1 1 11  -16 26 f 88.449  2.3401  1056.32   55.436    1045.75   78.572    1066.80   78.226    88.004  3.3333  88.895  3.2854  -0.8914642     4.680247 
1 1 1 11  -16 27 o 31.010  2.3118  132.504   18.724    117.655   27.160    145.954   25.849    29.271  3.5359  32.750  2.9793  -3.479538      4.623670 
1 1 1 11  -16 28 o 123.458 2.8719  2078.15   94.965    2062.37   133.844   2094.15   134.762   122.985 4.0631  123.930 4.0598  -0.9455719     5.743738 
1 1 1 11  -16 29 o 71.850  2.2137  700.597   42.597    706.920   59.976    694.161   60.511    72.185  3.1020  71.514  3.1591  0.6714478      4.427407 
1 1 1 11  -16 30 o 26.893  2.6539  103.804   17.695    137.767   24.967    69.528    25.082    31.710  2.9744  22.076  4.3962  9.633406       5.307899 
1 1 1 11  -16 31 o 18.791  3.0826  51.044    15.248    56.592    21.390    45.312    21.742    19.877  4.1515  17.704  4.5578  2.172440       6.165118 
1 1 1 11  -16 32 o 29.547  6.2372  131.230   47.811    0.0000    0.0000    131.230   47.811    ?       ?       29.547  6.2372  ?              ?        
1 1 1 11  -16 33 o 8.6414  2.5484  -2.3134   9.3659    12.758    17.305    -8.5571   11.138    11.074  4.2145  6.2091  2.8665  4.864496       5.096884 
1 1 1 11  -16 34 o 59.048  2.1097  481.666   32.909    468.838   50.051    491.435   43.677    58.183  3.2243  59.912  2.7218  -1.729168      4.219464 
1 1 1 11  -16 35 f 28.368  2.4989  118.270   17.467    97.301    28.051    131.550   22.324    25.905  4.1854  30.831  2.7316  -4.925533      4.997885 
1 1 1 11  -16 36 o 10.220  2.7592  11.144    10.749    -3.4613   20.189    16.922    12.698    9.3313  4.1203  11.109  3.6709  -1.778056      5.518397 
1 1 1 11  -16 37 o 13.715  2.6851  15.041    12.425    59.061    21.243    -7.8535   15.320    19.880  4.1246  7.5505  3.4391  12.32912       5.370238 
1 1 1 11  -16 38 o 21.305  2.9444  61.771    15.834    106.757   27.032    38.274    19.537    26.868  3.8677  15.743  4.4406  11.12560       5.888814 
1 1 1 11  -16 39 o 24.527  2.8817  88.431    17.748    105.438   29.590    78.873    22.182    26.109  4.3868  22.944  3.7381  3.165253       5.763459 
1 1 1 11  -16 40 o 18.081  5.3491  56.647    27.722    56.647    27.722    0.0000    0.0000    18.081  5.3491  ?       ?       ?              ?        
1 1 1 11  -16 41 f 29.091  2.9611  134.480   20.961    133.224   35.871    135.132   25.829    28.109  4.9451  30.073  3.2586  -1.964670      5.922190 
1 1 1 11  -16 42 o 15.325  3.5611  41.455    16.268    43.550    29.206    40.513    19.588    15.253  5.5371  15.398  4.4796  -0.1441307     7.122281 
1 1 1 11  -16 43 o 16.367  3.6677  46.698    16.901    63.130    30.916    39.694    20.185    17.727  5.7200  15.007  4.5924  2.719387       7.335462 
1 1 1 11  -16 44 o 13.019  3.5265  29.954    16.620    30.738    29.590    29.592    20.088    13.095  5.3420  12.942  4.6052  0.1521959      7.052965 
1 1 1 11  -16 45 o 9.4487  2.9593  6.1540    14.629    -16.8903  30.694    12.927    16.641    9.0730  4.3559  9.8245  4.0068  -0.7515163     5.918503 
1 1 1 11  -16 46 o 14.475  3.7203  40.877    16.779    72.041    33.158    30.149    19.454    16.621  5.9162  12.329  4.5124  4.291547       7.440678 
1 1 1 11  -15 0  o 250.263 4.8023  8458.63   321.866   8640.10   455.971   8278.40   454.408   252.957 6.7298  247.568 6.8527  5.388748       9.604660 
1 1 1 11  -15 1  o 209.624 4.0965  5921.59   229.949   5783.03   325.757   6059.21   324.641   207.163 5.8707  212.086 5.7148  -4.923065      8.192976 
1 1 1 11  -15 2  o 48.731  1.7371  318.717   22.624    331.877   32.261    305.983   31.734    49.755  2.4208  47.708  2.4921  2.046803       3.474295 
1 1 1 11  -15 3  o 29.047  1.7001  113.890   13.108    113.399   18.594    114.375   18.482    28.983  2.4172  29.111  2.3914  -0.1277370     3.400247 
1 1 1 11  -15 4  o 104.486 2.3821  1466.36   66.587    1387.66   94.361    1544.43   93.977    101.685 3.4646  107.287 3.2703  -5.602669      4.764244 
1 1 1 11  -15 5  o 121.200 2.6125  1971.98   84.805    1994.45   120.097   1949.64   119.769   121.889 3.6786  120.510 3.7105  1.379501       5.224916 
1 1 1 11  -15 6  o 139.151 2.8810  2600.83   107.378   2594.79   151.817   2606.87   151.895   138.989 4.0780  139.313 4.0706  -0.3237762     5.761982 
1 1 1 11  -15 7  o 129.664 2.7340  2258.29   94.922    2316.47   134.019   2199.72   134.463   131.345 3.8095  127.982 3.9225  3.362701       5.467912 
1 1 1 11  -15 8  o 46.287  1.6768  287.302   20.725    269.146   28.827    306.728   29.818    44.740  2.4145  47.833  2.3273  -3.092823      3.353536 
1 1 1 11  -15 9  o 36.317  1.6417  178.666   15.773    197.825   21.989    158.359   22.638    38.357  2.1489  34.277  2.4825  4.079468       3.283426 
1 1 1 11  -15 10 o 79.921  1.9822  856.644   42.430    843.310   59.641    870.310   60.376    79.291  2.8082  80.551  2.7984  -1.259743      3.964454 
1 1 1 11  -15 11 o 206.387 4.0445  5743.26   223.558   5637.58   315.978   5849.18   316.338   204.474 5.7694  208.301 5.6699  -3.826309      8.089077 
1 1 1 11  -15 12 o 47.264  1.7141  300.932   21.570    274.267   30.713    326.887   30.301    45.151  2.5500  49.377  2.2911  -4.226254      3.428110 
1 1 1 11  -15 13 o 12.191  2.0769  19.089    8.5013    -4.3727   12.330    40.350    11.737    7.2367  3.2065  17.146  2.6406  -9.908840      4.153781 
1 1 1 11  -15 14 f 62.648  1.8264  526.082   30.635    538.679   44.102    514.336   42.586    63.371  2.5982  61.924  2.5676  1.447304       3.652816 
1 1 1 11  -15 15 o 126.044 2.6745  2135.48   90.273    2114.52   128.666   2155.81   126.689   125.429 3.8298  126.659 3.7343  -1.229958      5.349084 
1 1 1 11  -15 16 o 60.493  1.8625  491.976   30.104    472.535   43.571    509.734   41.642    59.343  2.7412  61.644  2.5221  -2.300613      3.724925 
1 1 1 11  -15 17 o 128.954 2.7668  2238.01   95.485    2153.59   135.945   2320.22   134.145   126.539 4.0110  131.370 3.8123  -4.831192      5.533687 
1 1 1 11  -15 18 o 109.539 2.5375  1614.21   74.378    1552.02   106.054   1674.41   104.339   107.450 3.6850  111.628 3.4897  -4.177910      5.075098 
1 1 1 11  -15 19 o 131.001 2.8240  2309.34   99.067    2271.31   140.849   2346.56   139.367   129.925 4.0473  132.076 3.9395  -2.150909      5.648096 
1 1 1 11  -15 20 o 79.275  2.5637  849.487   52.360    859.203   66.035    833.035   85.928    79.984  3.0824  78.566  4.0975  1.418091       5.127435 
1 1 1 11  -15 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -15 22 o 69.656  2.0768  651.314   38.711    692.394   55.491    612.367   54.031    71.798  2.8855  67.514  2.9878  4.283661       4.153688 
1 1 1 11  -15 23 o 37.206  2.0903  187.910   20.562    177.354   29.975    197.291   28.259    36.188  3.1231  38.223  2.7792  -2.035149      4.180635 
1 1 1 11  -15 24 o 17.115  2.9786  40.914    13.587    46.533    19.745    35.861    18.726    18.211  4.1416  16.020  4.2818  2.190458       5.957119 
1 1 1 11  -15 25 o 58.075  2.0670  454.408   32.094    463.984   45.522    444.946   45.253    58.724  2.8941  57.427  2.9520  1.297375       4.134046 
1 1 1 11  -15 26 o 124.958 2.8046  2113.07   93.868    2113.21   132.290   2112.93   133.214   124.967 3.9522  124.949 3.9804  0.1751709E-01  5.609263 
1 1 1 11  -15 27 o 76.186  2.2406  783.719   45.716    792.347   64.396    774.951   64.911    76.614  3.1381  75.757  3.1990  0.8573990      4.481161 
1 1 1 11  -15 28 o 84.701  2.3242  971.649   52.697    1002.35   74.130    940.290   74.926    86.073  3.2154  83.328  3.3570  2.745010       4.648468 
1 1 1 11  -15 29 f 41.828  2.1322  238.058   23.726    234.677   33.293    241.547   33.820    41.525  3.0138  42.131  3.0170  -0.6057930     4.264449 
1 1 1 11  -15 30 o 60.494  2.2004  500.116   35.400    544.313   49.455    453.680   50.693    63.346  2.9148  57.641  3.2971  5.705097       4.400773 
1 1 1 11  -15 31 o 77.396  2.2185  821.608   45.645    766.384   67.345    868.536   62.081    74.876  3.3579  79.916  2.9002  -5.040344      4.437014 
1 1 1 11  -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -15 33 o 26.640  2.3251  98.741    15.697    99.807    25.635    98.101    19.855    26.621  3.6949  26.660  2.8235  -0.3889275E-01 4.650185 
1 1 1 11  -15 34 o 39.383  2.1030  210.816   21.713    233.351   34.265    195.696   28.067    41.057  3.1396  37.709  2.7988  3.348209       4.206026 
1 1 1 11  -15 35 o 19.227  2.8122  52.327    13.709    60.959    22.301    47.083    17.381    20.413  4.2183  18.042  3.7203  2.370518       5.624464 
1 1 1 11  -15 36 o 31.208  2.2853  132.319   18.474    163.870   29.791    112.606   23.548    34.121  3.3009  28.294  3.1613  5.827192       4.570537 
1 1 1 11  -15 37 o 8.1180  2.5366  -2.5413   10.645    -14.8534  19.376    2.7808    12.739    7.9999  3.7232  8.2362  3.4460  -0.2362971     5.073197 
1 1 1 11  -15 38 o 23.004  2.8888  77.072    16.507    87.144    27.993    71.703    20.439    23.872  4.5439  22.136  3.5685  1.735729       5.777638 
1 1 1 11  -15 39 o 48.670  2.3058  341.622   29.248    339.564   46.065    343.012   37.858    48.178  3.5956  49.161  2.8877  -0.9833031     4.611642 
1 1 1 11  -15 40 o 30.937  3.6112  155.277   27.990    149.635   35.373    164.725   45.777    30.900  4.3980  30.973  5.7288  -0.7289886E-01 7.222327 
1 1 1 11  -15 41 o 20.986  3.3002  79.529    17.489    55.452    30.776    91.013    21.255    17.328  5.7144  24.644  3.3031  -7.316311      6.600316 
1 1 1 11  -15 42 o 40.090  2.5887  246.840   26.338    252.510   43.665    243.597   33.022    39.669  4.1720  40.511  3.0660  -0.8417892     5.177453 
1 1 1 11  -15 43 o 25.565  3.0131  97.310    18.993    153.709   33.381    70.310    23.096    30.677  4.1707  20.454  4.3496  10.22309       6.026117 
1 1 1 11  -15 44 o 8.8809  2.8651  -1.1501   13.423    -0.7457   26.499    -1.2897   15.568    9.8414  4.4982  7.9204  3.5500  1.920952       5.730276 
1 1 1 11  -15 45 o 10.479  3.0030  13.318    15.269    -23.0825  28.729    27.648    18.026    8.5220  4.1216  12.436  4.3687  -3.914046      6.006048 
1 1 1 11  -15 46 o 9.4373  2.9376  8.2989    14.804    -14.7495  29.393    16.133    17.137    8.7616  4.2204  10.113  4.0874  -1.351555      5.875271 
1 1 1 11  -14 0  o 298.979 5.6691  12093.49  453.959   11963.49  642.530   12223.05  641.462   297.356 8.0673  300.602 7.9669  -3.246307      11.33812 
1 1 1 11  -14 1  o 107.205 2.4248  1541.91   69.625    1546.85   99.011    1537.08   97.928    107.374 3.4427  107.036 3.4158  0.3379440      4.849685 
1 1 1 11  -14 2  o 130.446 2.7426  2284.40   95.809    2250.83   136.025   2317.44   134.970   129.492 3.9218  131.400 3.8349  -1.908768      5.485162 
1 1 1 11  -14 3  f 169.612 3.3765  3865.73   153.395   3864.58   217.488   3866.87   216.383   169.586 4.7880  169.639 4.7622  -0.5332947E-01 6.753072 
1 1 1 11  -14 4  o 148.727 3.0329  2970.50   120.813   2943.15   171.168   2997.64   170.545   148.042 4.3167  149.411 4.2615  -1.369202      6.065842 
1 1 1 11  -14 5  o 55.995  1.7494  420.329   26.236    423.456   36.951    417.150   37.258    56.206  2.4545  55.785  2.4935  0.4208908      3.498879 
1 1 1 11  -14 6  o 40.445  1.6576  219.867   17.869    209.771   24.982    230.445   25.570    39.489  2.3729  41.400  2.3152  -1.910954      3.315217 
1 1 1 11  -14 7  o 110.387 2.4214  1636.39   71.512    1718.42   100.821   1553.34   101.450   113.179 3.3258  107.595 3.5202  5.584587       4.842807 
1 1 1 11  -14 8  o 105.736 2.3341  1500.64   66.067    1548.46   93.063    1452.04   93.808    107.439 3.2339  104.033 3.3665  3.405945       4.668138 
1 1 1 11  -14 9  o 96.644  2.1970  1252.84   56.869    1247.69   80.088    1258.07   80.767    96.445  3.1003  96.844  3.1137  -0.3994217     4.393921 
1 1 1 11  -14 10 o 167.549 3.3244  3774.16   149.191   3789.52   210.904   3758.77   211.072   167.892 4.6899  167.207 4.7129  0.6856232      6.648800 
1 1 1 11  -14 11 o 103.028 2.3211  1424.77   64.033    1391.69   90.831    1457.45   90.284    101.836 3.3300  104.219 3.2343  -2.383888      4.642125 
1 1 1 11  -14 12 o 179.124 3.5500  4318.04   170.309   4391.89   241.427   4244.89   240.283   180.654 4.9894  177.595 5.0513  3.059662       7.100000 
1 1 1 11  -14 13 o 117.301 2.5364  1847.75   79.678    1836.87   113.477   1858.33   111.904   116.957 3.6224  117.645 3.5513  -0.6875305     5.072782 
1 1 1 11  -14 14 o 93.399  2.1952  1171.98   54.854    1132.99   78.576    1209.05   76.612    91.876  3.1930  94.922  3.0133  -3.045525      4.390350 
1 1 1 11  -14 15 o 232.253 4.4749  7291.17   278.342   7185.22   394.664   7396.03   392.615   230.553 6.3910  233.952 6.2654  -3.399887      8.949883 
1 1 1 11  -14 16 o 94.615  2.2630  1201.85   57.335    1202.15   82.088    1201.57   80.114    94.624  3.2389  94.607  3.1615  0.1684570E-01  4.526096 
1 1 1 11  -14 17 o 148.898 3.0780  2983.36   122.754   2995.99   174.546   2971.01   172.669   149.208 4.3675  148.589 4.3385  0.6186371      6.156075 
1 1 1 11  -14 18 o 151.536 3.1945  3093.14   129.611   3011.61   184.004   3173.44   182.600   149.539 4.5939  153.533 4.4403  -3.993362      6.389075 
1 1 1 11  -14 19 o 65.133  1.9918  568.792   34.729    588.932   50.108    550.174   48.177    66.241  2.8242  64.025  2.8093  2.216019       3.983511 
1 1 1 11  -14 20 o 46.559  1.9608  291.112   24.305    310.168   35.527    274.347   33.323    47.992  2.7756  45.126  2.7703  2.865559       3.921540 
1 1 1 11  -14 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -14 22 o 131.141 4.1563  2330.87   145.881   2386.68   204.010   2272.48   208.683   132.783 5.7361  129.499 6.0163  3.284454       8.312607 
1 1 1 11  -14 23 o 22.493  2.7210  70.490    15.702    59.972    22.348    80.745    22.066    20.731  4.1692  24.254  3.4977  -3.523367      5.442091 
1 1 1 11  -14 24 o 62.452  2.0818  524.309   34.818    512.542   49.245    536.071   49.234    61.749  2.9774  63.156  2.9104  -1.406658      4.163642 
1 1 1 11  -14 25 o 48.777  2.0692  321.231   26.895    332.715   38.031    309.743   38.038    49.659  2.8715  47.894  2.9799  1.764771       4.138304 
1 1 1 11  -14 26 o 37.817  2.1725  195.095   21.613    222.308   30.429    167.391   30.702    40.548  2.8193  35.085  3.3060  5.462982       4.344901 
1 1 1 11  -14 27 o 110.678 2.6572  1657.27   78.763    1623.83   110.558   1691.74   112.236   109.542 3.7681  111.815 3.7475  -2.273209      5.314362 
1 1 1 11  -14 28 o 22.546  2.7480  70.946    15.974    65.559    22.504    76.418    22.680    21.631  4.0324  23.460  3.7344  -1.829077      5.495951 
1 1 1 11  -14 29 o 16.337  2.6815  37.314    11.209    39.222    18.468    36.201    14.103    16.631  4.1571  16.043  3.3883  0.5883465      5.362994 
1 1 1 11  -14 30 o 41.596  1.9621  231.022   21.537    272.478   33.143    200.723   28.334    44.781  2.7769  38.411  2.7727  6.370430       3.924134 
1 1 1 11  -14 31 o 46.091  2.0050  290.609   24.318    281.962   37.138    297.100   32.175    45.418  3.0708  46.764  2.5786  -1.346024      4.009910 
1 1 1 11  -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -14 33 o 41.849  2.1268  243.616   23.164    225.102   35.813    256.932   30.373    40.332  3.3454  43.367  2.6272  -3.035110      4.253664 
1 1 1 11  -14 34 o 39.431  2.1015  212.160   21.796    229.224   33.844    200.068   28.490    40.719  3.1270  38.144  2.8083  2.574917       4.202948 
1 1 1 11  -14 35 o 17.618  2.8861  50.173    13.753    23.936    22.605    65.593    17.329    13.626  4.8812  21.611  3.0810  -7.984506      5.772253 
1 1 1 11  -14 36 o 26.887  2.4565  103.924   16.503    97.365    26.964    107.853   20.869    25.945  4.0093  27.829  2.8394  -1.884796      4.912955 
1 1 1 11  -14 37 o 11.230  2.9700  14.431    11.381    17.203    20.276    13.156    13.752    12.070  4.5696  10.389  3.7952  1.681018       5.940085 
1 1 1 11  -14 38 o 9.6003  2.7959  -0.6266   10.937    20.019    20.915    -8.3957   12.830    12.483  4.6588  6.7181  3.0925  5.764411       5.591726 
1 1 1 11  -14 39 o 6.4247  2.1828  -16.2887  10.064    -34.1228  19.975    -10.2207  11.651    6.7504  3.3031  6.0990  2.8546  0.6514330      4.365677 
1 1 1 11  -14 40 o 26.300  2.8907  106.880   18.794    103.545   31.077    108.804   23.599    25.401  4.7421  27.200  3.3073  -1.798384      5.781484 
1 1 1 11  -14 41 o 17.690  3.4031  49.845    15.609    63.094    28.188    43.986    18.746    18.897  5.3353  16.483  4.2260  2.413116       6.806205 
1 1 1 11  -14 42 o 18.691  3.1656  68.918    17.344    24.782    30.687    89.632    21.024    13.055  5.3954  24.328  3.3125  -11.27300      6.331130 
1 1 1 11  -14 43 o 11.256  3.2006  10.830    13.390    35.410    26.455    2.3647    15.525    14.065  5.2414  8.4473  3.6745  5.617190       6.401152 
1 1 1 11  -14 44 o 10.846  2.7503  10.881    14.496    -50.7902  26.895    36.134    17.210    7.1603  3.5629  14.531  4.1908  -7.370582      5.500616 
1 1 1 11  -14 45 o 6.4604  2.2198  -18.5217  11.438    -58.3702  25.409    -8.3935   12.810    6.5286  3.2797  6.3923  2.9922  0.1363516      4.439565 
1 1 1 11  -14 46 o 21.284  3.6422  79.042    19.679    146.982   36.977    52.196    23.244    26.727  5.3519  15.841  4.9416  10.88560       7.284350 
1 1 1 11  -13 0  o 184.426 3.6449  4571.35   180.029   4498.97   255.137   4643.12   254.065   182.965 5.2061  185.886 5.1028  -2.920731      7.289894 
1 1 1 11  -13 1  o 61.909  1.8425  514.096   30.530    494.985   43.408    532.802   42.947    60.768  2.6669  63.049  2.5431  -2.281158      3.685051 
1 1 1 11  -13 2  o 33.758  1.6607  153.561   14.897    164.145   21.148    143.138   20.988    34.925  2.2732  32.591  2.4216  2.333366       3.321358 
1 1 1 11  -13 3  o 216.993 4.2030  6333.25   244.232   6197.63   345.804   6468.22   344.989   214.664 6.0142  219.322 5.8727  -4.657822      8.405906 
1 1 1 11  -13 4  o 153.641 3.0998  3169.09   127.534   3091.57   180.540   3246.30   180.181   151.760 4.4415  155.521 4.3254  -3.760544      6.199671 
1 1 1 11  -13 5  o 123.930 2.6699  2060.91   88.580    1981.19   125.093   2141.08   125.448   121.522 3.8432  126.338 3.7072  -4.816269      5.339764 
1 1 1 11  -13 6  o 194.403 3.8263  5079.25   199.238   5061.10   281.466   5097.47   282.066   194.055 5.4152  194.752 5.4073  -0.6971741     7.652640 
1 1 1 11  -13 7  o 161.562 3.2355  3504.94   139.995   3429.36   197.488   3581.27   198.482   159.808 4.6137  163.316 4.5374  -3.508408      6.471024 
1 1 1 11  -13 8  o 110.995 2.3845  1652.37   70.873    1602.48   99.813    1703.09   100.650   109.304 3.4093  112.686 3.3347  -3.382469      4.768997 
1 1 1 11  -13 9  o 203.837 3.9417  5589.71   215.145   5741.42   304.238   5437.94   304.285   206.617 5.4974  201.058 5.6503  5.558472       7.883356 
1 1 1 11  -13 10 o 156.680 3.1311  3297.26   131.401   3305.70   186.025   3288.85   185.634   156.881 4.4270  156.480 4.4290  0.4006500      6.262183 
1 1 1 11  -13 11 o 148.083 3.0317  2945.28   120.243   2982.01   170.597   2909.01   169.506   149.002 4.2746  147.164 4.3003  1.837494       6.063335 
1 1 1 11  -13 12 o 173.681 3.4541  4057.62   160.641   3965.92   227.958   4148.09   226.410   171.721 4.9561  175.641 4.8126  -3.920807      6.908289 
1 1 1 11  -13 13 o 136.593 2.8420  2506.11   103.968   2514.58   148.154   2497.89   145.936   136.818 4.0428  136.368 3.9954  0.4500580      5.683975 
1 1 1 11  -13 14 o 19.415  2.1617  54.392    10.381    38.592    15.649    66.809    13.873    16.633  3.6158  22.197  2.3701  -5.563488      4.323330 
1 1 1 11  -13 15 o 125.757 2.7091  2124.54   91.245    2129.14   130.027   2120.08   128.075   125.888 3.8562  125.626 3.8063  0.2628479      5.418294 
1 1 1 11  -13 16 o 230.965 4.4579  7209.13   275.762   7131.20   390.770   7286.44   389.208   229.706 6.3513  232.224 6.2573  -2.517776      8.915833 
1 1 1 11  -13 17 o 192.289 3.7996  4986.21   195.694   5006.83   277.565   4965.83   275.947   192.683 5.3781  191.895 5.3688  0.7881470      7.599211 
1 1 1 11  -13 18 o 119.121 2.6534  1907.14   84.657    1911.40   120.395   1902.97   119.062   119.251 3.7693  118.992 3.7357  0.2593155      5.306854 
1 1 1 11  -13 19 o 206.466 4.0882  5759.98   226.066   5849.04   320.113   5671.38   319.298   208.070 5.7439  204.862 5.8190  3.207916       8.176355 
1 1 1 11  -13 20 o 129.541 2.8503  2257.59   98.892    2286.58   139.951   2228.68   139.758   130.375 4.0077  128.707 4.0540  1.668121       5.700553 
1 1 1 11  -13 21 o 122.772 2.7452  2027.48   90.275    2035.35   127.621   2019.61   127.715   123.012 3.8733  122.533 3.8913  0.4790878      5.490475 
1 1 1 11  -13 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -13 23 o 177.958 3.6274  4279.83   172.881   4344.59   243.937   4214.47   245.048   179.327 5.0786  176.590 5.1808  2.737183       7.254843 
1 1 1 11  -13 24 o 92.036  2.3805  1140.42   58.627    1189.11   82.511    1090.77   83.319    94.033  3.2760  90.040  3.4548  3.993141       4.761036 
1 1 1 11  -13 25 o 44.530  2.0877  267.848   24.710    246.784   34.652    289.638   35.245    42.729  3.0477  46.332  2.8539  -3.602627      4.175375 
1 1 1 11  -13 26 o 74.139  2.2075  740.091   43.826    737.804   61.281    742.485   62.702    74.026  3.0907  74.252  3.1527  -0.2264862     4.414966 
1 1 1 11  -13 27 o 92.219  2.3931  1158.92   58.520    1006.00   84.661    1298.84   80.981    86.275  3.6636  98.162  3.0800  -11.88709      4.786251 
1 1 1 11  -13 28 o 19.189  2.5798  47.969    12.532    75.123    20.525    31.828    15.824    23.337  3.3822  15.041  3.8965  8.295532       5.159646 
1 1 1 11  -13 29 o 38.462  2.0687  207.242   20.435    165.554   30.832    239.904   27.291    34.800  3.3492  42.125  2.4291  -7.325214      4.137313 
1 1 1 11  -13 30 o 37.650  1.9932  191.399   19.747    202.739   30.533    183.246   25.891    38.572  2.9784  36.728  2.6497  1.844139       3.986406 
1 1 1 11  -13 31 o 35.320  2.0202  169.289   18.764    177.809   28.888    163.071   24.678    36.049  3.0196  34.591  2.6846  1.457939       4.040426 
1 1 1 11  -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -13 33 o 27.386  2.2440  102.353   15.823    112.322   25.497    96.108    20.180    28.390  3.4220  26.383  2.9037  2.007675       4.487945 
1 1 1 11  -13 34 o 64.579  2.1571  574.639   36.921    558.951   55.497    587.096   49.452    63.633  3.2671  65.525  2.8177  -1.891163      4.314281 
1 1 1 11  -13 35 o 9.5106  2.5505  6.8002    10.267    -14.4134  17.611    17.720    12.636    7.6530  3.5577  11.368  3.6557  -3.715266      5.101100 
1 1 1 11  -13 36 o 19.755  2.8816  56.983    14.172    57.289    23.983    56.819    17.567    19.575  4.6442  19.935  3.4127  -0.3603592     5.763289 
1 1 1 11  -13 37 o 21.288  2.7464  60.552    14.493    90.257    25.299    46.040    17.683    24.897  3.9236  17.679  3.8438  7.217823       5.492736 
1 1 1 11  -13 38 o 36.015  2.2963  180.738   21.318    201.315   35.081    168.691   26.842    37.417  3.5425  34.612  2.9227  2.804985       4.592591 
1 1 1 11  -13 39 o 18.184  3.1500  56.993    15.571    31.268    27.150    69.602    19.008    14.544  5.3296  21.825  3.3593  -7.281569      6.299948 
1 1 1 11  -13 40 o 19.272  3.2179  53.029    16.235    90.794    27.948    33.795    19.946    23.971  4.5187  14.574  4.5827  9.396222       6.435829 
1 1 1 11  -13 41 o 24.973  2.9382  93.906    18.080    113.159   31.571    84.511    22.055    26.378  4.6378  23.568  3.6087  2.810194       5.876411 
1 1 1 11  -13 42 o 27.809  3.3828  141.769   21.670    92.464    36.758    168.033   26.828    21.857  6.0651  33.761  2.9979  -11.90405      6.765607 
1 1 1 11  -13 43 o 17.311  3.4602  55.456    16.640    45.730    30.445    59.599    19.870    15.459  5.6469  19.163  4.0004  -3.703614      6.920347 
1 1 1 11  -13 44 o 13.795  3.5170  29.878    15.504    50.455    28.662    21.366    18.434    15.965  5.5144  11.626  4.3668  4.339092       7.034022 
1 1 1 11  -13 45 o 10.917  2.8013  11.751    15.288    -58.1597  29.146    38.287    17.956    7.1843  3.5954  14.649  4.2968  -7.464697      5.602644 
1 1 1 11  -13 46 o 12.017  3.4413  14.929    15.787    61.765    31.810    -0.3765   18.184    15.801  5.7721  8.2332  3.7488  7.567636       6.882652 
1 1 1 11  -12 0  o 24.111  1.7277  78.896    10.950    70.548    15.449    87.321    15.521    22.799  2.5750  25.424  2.3042  -2.624634      3.455481 
1 1 1 11  -12 1  o 43.851  1.7043  258.940   19.887    234.950   28.290    282.376   27.962    41.795  2.5391  45.907  2.2740  -4.111637      3.408561 
1 1 1 11  -12 2  o 37.932  1.6486  193.624   16.654    184.253   23.546    203.005   23.558    37.005  2.3883  38.858  2.2734  -1.852673      3.297269 
1 1 1 11  -12 3  o 57.821  1.7527  448.134   27.132    432.973   38.382    463.277   38.359    56.843  2.5209  58.800  2.4356  -1.956726      3.505301 
1 1 1 11  -12 4  o 323.496 6.0014  14106.00  519.966   13898.15  735.382   14313.80  735.306   321.098 8.5504  325.895 8.4237  -4.797211      12.00282 
1 1 1 11  -12 5  o 157.020 3.2047  3308.40   134.751   3220.75   190.293   3396.55   190.841   154.930 4.5856  159.109 4.4780  -4.179016      6.409429 
1 1 1 11  -12 6  o 196.008 3.8287  5160.17   200.973   5264.38   283.902   5055.49   284.537   197.998 5.3533  194.018 5.4753  3.980026       7.657424 
1 1 1 11  -12 7  o 236.236 4.4834  7504.39   283.648   7643.23   400.841   7365.15   401.438   238.434 6.2765  234.038 6.4039  4.396057       8.966808 
1 1 1 11  -12 8  o 324.772 6.0815  14237.10  528.960   13959.85  747.630   14514.98  748.494   321.582 8.6797  327.961 8.5207  -6.378571      12.16308 
1 1 1 11  -12 9  o 312.355 5.8970  13170.21  493.365   13174.49  697.880   13165.93  697.567   312.406 8.3401  312.305 8.3391  0.1012573      11.79398 
1 1 1 11  -12 10 o 109.301 2.4036  1602.06   70.361    1636.70   100.087   1568.21   98.933    110.470 3.3825  108.132 3.4158  2.337700       4.807240 
1 1 1 11  -12 11 o 156.578 3.1435  3292.37   131.828   3285.40   187.336   3299.21   185.544   156.411 4.4716  156.745 4.4194  -0.3334503     6.287017 
1 1 1 11  -12 12 o 211.432 4.0857  6017.02   231.376   6024.06   328.389   6010.07   326.053   211.551 5.7954  211.312 5.7607  0.2393799      8.171428 
1 1 1 11  -12 13 f 65.903  1.8930  583.380   33.348    562.230   48.171    602.843   46.211    64.751  2.7775  67.055  2.5729  -2.303986      3.786050 
1 1 1 11  -12 14 o 172.083 3.4417  3982.90   158.630   3998.69   225.347   3967.39   223.341   172.420 4.8795  171.747 4.8550  0.6724548      6.883364 
1 1 1 11  -12 15 o 246.389 4.6785  8201.00   308.750   8153.79   437.457   8247.86   435.825   245.672 6.6480  247.106 6.5848  -1.433350      9.357070 
1 1 1 11  -12 16 o 154.268 3.1820  3200.73   131.475   3252.46   186.724   3149.88   185.152   155.506 4.4829  153.029 4.5172  2.476990       6.364080 
1 1 1 11  -12 17 o 143.537 3.0251  2770.68   116.295   2816.64   164.945   2725.25   163.990   144.723 4.2551  142.350 4.3010  2.373520       6.050181 
1 1 1 11  -12 18 o 244.619 4.7336  8101.98   310.100   8269.70   438.750   7934.56   438.345   247.175 6.6271  242.062 6.7608  5.112473       9.467170 
1 1 1 11  -12 19 o 167.356 3.4283  3773.98   153.662   3837.50   217.253   3710.38   217.368   168.774 4.8059  165.938 4.8906  2.836456       6.856680 
1 1 1 11  -12 20 o 25.223  2.2790  87.882    14.663    109.020   20.854    67.212    20.621    28.367  2.7804  22.080  3.6118  6.287085       4.558025 
1 1 1 11  -12 21 o 109.201 2.5624  1602.82   74.928    1552.52   105.442   1654.14   106.495   107.466 3.6631  110.937 3.5840  -3.470543      5.124785 
1 1 1 11  -12 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -12 23 o 88.260  2.8362  1033.55   63.706    1103.34   109.698   998.040   78.255    90.353  4.5474  86.166  3.3906  4.186142       5.672304 
1 1 1 11  -12 24 o 35.399  2.1496  169.582   20.179    168.028   28.204    171.212   28.884    35.234  3.0176  35.564  3.0621  -0.3294182     4.299107 
1 1 1 11  -12 25 o 99.401  2.3624  1326.83   62.805    1431.42   90.943    1231.47   86.839    103.145 3.2918  95.657  3.3893  7.488319       4.724746 
1 1 1 11  -12 26 f 183.678 3.6931  4583.37   181.657   4558.15   259.057   4607.77   254.799   183.152 5.2807  184.204 5.1643  -1.052185      7.386182 
1 1 1 11  -12 27 o 96.889  2.3775  1266.18   61.619    1269.74   89.490    1262.98   84.972    97.001  3.4444  96.777  3.2780  0.2238541      4.754913 
1 1 1 11  -12 28 o 40.259  1.9550  216.390   20.800    246.065   31.827    194.269   27.480    42.641  2.8023  37.878  2.7268  4.762550       3.910007 
1 1 1 11  -12 29 o 51.719  1.9796  362.391   27.159    354.757   40.672    368.534   36.485    51.157  2.9812  52.281  2.6054  -1.124119      3.959253 
1 1 1 11  -12 30 o 27.540  2.1678  102.748   15.511    111.456   24.346    96.797    20.124    28.483  3.2493  26.597  2.8703  1.885406       4.335516 
1 1 1 11  -12 31 o 16.152  2.7014  35.266    11.412    48.639    18.334    26.807    14.582    18.523  3.8222  13.781  3.8185  4.741611       5.402807 
1 1 1 11  -12 32 o 17.666  5.9240  42.942    33.041    42.942    33.041    0.0000    0.0000    17.666  5.9240  ?       ?       ?              ?        
1 1 1 11  -12 33 o 27.311  2.2747  99.871    16.002    123.654   25.901    85.190    20.350    29.857  3.2936  24.765  3.1383  5.091879       4.549405 
1 1 1 11  -12 34 o 16.252  2.8777  40.196    12.498    28.144    20.785    47.021    15.641    14.287  4.6953  18.217  3.3283  -3.930148      5.755301 
1 1 1 11  -12 35 o 39.803  2.1402  217.179   22.308    230.373   35.072    208.214   28.910    40.722  3.2423  38.885  2.7944  1.837643       4.280361 
1 1 1 11  -12 36 o 57.821  2.1291  456.581   32.575    514.865   50.282    414.427   42.762    60.910  3.0922  54.732  2.9276  6.177734       4.258192 
1 1 1 11  -12 37 o 22.169  2.7085  70.576    15.135    75.916    24.541    67.298    19.226    22.684  4.1937  21.655  3.4288  1.028229       5.417015 
1 1 1 11  -12 38 o 16.535  3.1764  40.182    13.832    47.731    23.953    36.406    16.942    17.511  4.9091  15.558  4.0323  1.952863       6.352873 
1 1 1 11  -12 39 o 18.374  3.1077  58.587    15.630    28.819    26.815    73.904    19.235    14.193  5.2794  22.555  3.2800  -8.362345      6.215340 
1 1 1 11  -12 40 o 13.317  3.7436  23.373    19.460    24.570    24.019    21.087    33.198    13.148  4.9744  13.487  5.5959  -0.3390837     7.487261 
1 1 1 11  -12 41 o 9.6255  2.8537  6.8789    12.406    -6.7673   22.888    12.557    14.763    9.1669  4.1862  10.084  3.8795  -0.9170446     5.707474 
1 1 1 11  -12 42 o 27.109  3.1381  117.928   20.856    125.089   35.718    114.224   25.690    26.932  5.1390  27.287  3.6031  -0.3549309     6.276282 
1 1 1 11  -12 43 o 10.487  3.1263  10.294    13.680    14.978    26.109    8.5221    16.062    11.532  4.8848  9.4428  3.9031  2.088809       6.252649 
1 1 1 11  -12 44 o 14.881  3.5483  40.901    16.287    37.973    30.849    42.033    19.178    14.190  5.5662  15.572  4.4021  -1.382589      7.096567 
1 1 1 11  -12 45 o 17.513  3.7194  52.624    17.475    89.454    33.348    38.682    20.517    20.608  5.7977  14.417  4.6606  6.191072       7.438762 
1 1 1 11  -12 46 o 10.151  3.1300  12.976    15.902    -3.0488   31.602    18.410    18.401    9.7202  4.5961  10.581  4.2500  -0.8612728     6.259943 
1 1 1 11  -11 0  o 201.505 3.9324  5451.89   212.174   5300.40   300.526   5602.43   299.594   198.707 5.6465  204.304 5.4748  -5.597336      7.864885 
1 1 1 11  -11 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -11 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -11 3  f 78.954  4.2934  838.361   90.454    838.361   90.454    0.0000    0.0000    78.954  4.2934  ?       ?       ?              ?        
1 1 1 11  -11 4  o 279.078 6.4761  10444.09  456.827   10351.46  558.961   10630.43  792.766   277.482 7.5207  280.675 10.545  -3.193390      12.95225 
1 1 1 11  -11 5  o 373.968 8.6389  19025.32  812.887   19224.06  995.325   18627.24  1408.68   377.595 9.8412  370.341 14.201  7.254456       17.27776 
1 1 1 11  -11 6  o 166.766 4.6791  3742.80   208.199   4151.27   296.097   3343.35   292.805   175.807 6.2880  157.725 6.9309  18.08127       9.358171 
1 1 1 11  -11 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -11 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -11 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -11 10 o 72.069  1.8878  696.067   36.420    696.941   52.411    695.250   50.645    72.111  2.7135  72.026  2.6252  0.8576202E-01  3.775521 
1 1 1 11  -11 11 o 148.276 2.9979  2950.12   119.053   2996.09   169.582   2905.45   167.176   149.415 4.2374  147.137 4.2419  2.277695       5.995764 
1 1 1 11  -11 12 o 61.114  1.7940  499.741   29.340    522.394   42.598    479.296   40.469    62.429  2.5475  59.798  2.5266  2.630249       3.587989 
1 1 1 11  -11 13 o 165.203 3.3583  3667.22   148.599   3677.30   211.091   3657.30   209.223   165.427 4.7640  164.980 4.7347  0.4471283      6.716636 
1 1 1 11  -11 14 o 175.884 3.5257  4159.82   166.083   4232.15   235.759   4088.56   234.004   177.406 4.9615  174.363 5.0105  3.042389       7.051325 
1 1 1 11  -11 15 o 128.188 2.7257  2206.58   93.562    2274.36   132.921   2140.01   131.722   130.143 3.8132  126.233 3.8958  3.909813       5.451360 
1 1 1 11  -11 16 o 200.422 3.9505  5413.51   212.066   5362.09   300.026   5464.85   299.786   199.464 5.6157  201.380 5.5579  -1.915054      7.901007 
1 1 1 11  -11 17 o 85.740  2.1881  986.723   50.235    1017.97   71.163    955.690   70.923    87.096  3.0505  84.385  3.1379  2.711098       4.376250 
1 1 1 11  -11 18 o 216.349 4.2104  6320.79   243.957   6199.93   344.633   6442.18   345.382   214.261 6.0052  218.437 5.9032  -4.176651      8.420761 
1 1 1 11  -11 19 o 53.043  1.9115  378.454   27.067    374.229   38.173    382.725   38.386    52.744  2.7112  53.342  2.6954  -0.5981445     3.823052 
1 1 1 11  -11 20 o 146.928 3.1126  2905.60   122.481   2849.16   172.479   2963.02   173.958   145.484 4.4262  148.371 4.3773  -2.886826      6.225119 
1 1 1 11  -11 21 o 99.938  2.4463  1342.78   65.444    1377.44   91.803    1306.97   93.319    101.257 3.3849  98.619  3.5328  2.637726       4.892653 
1 1 1 11  -11 22 o 144.367 3.0954  2806.25   119.686   2772.64   168.148   2840.78   170.396   143.492 4.3750  145.243 4.3800  -1.751694      6.190729 
1 1 1 11  -11 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -11 24 o 136.811 2.9087  2520.24   106.563   2585.20   152.691   2458.55   148.790   138.528 4.1152  135.093 4.1120  3.435257       5.817466 
1 1 1 11  -11 25 f 109.881 2.5737  1628.78   75.591    1560.55   108.923   1692.18   104.991   107.634 3.7782  112.128 3.4958  -4.494400      5.147327 
1 1 1 11  -11 26 o 74.452  2.1176  745.580   42.130    746.961   61.752    744.378   57.624    74.505  3.0944  74.399  2.8917  0.1065979      4.235211 
1 1 1 11  -11 27 o 135.914 2.9327  2499.85   106.708   2508.79   153.456   2491.49   148.484   136.128 4.2087  135.700 4.0852  0.4278259      5.865300 
1 1 1 11  -11 28 o 31.963  2.1835  142.589   17.857    121.207   27.504    158.170   23.479    29.742  3.5209  34.183  2.5834  -4.441521      4.367012 
1 1 1 11  -11 29 o 28.757  2.1372  109.230   15.686    153.443   24.535    78.661    20.401    33.617  2.7488  23.898  3.2732  9.719687       4.274302 
1 1 1 11  -11 30 o 63.725  2.0975  554.760   35.363    512.218   52.628    589.779   47.748    61.379  3.2123  66.070  2.6981  -4.690308      4.195095 
1 1 1 11  -11 31 o 22.490  2.5542  75.886    13.882    51.688    21.880    92.188    17.959    19.006  4.3871  25.974  2.6171  -6.968380      5.108407 
1 1 1 11  -11 32 f 34.645  5.3159  172.419   47.755    172.419   47.755    0.0000    0.0000    34.645  5.3159  ?       ?       ?              ?        
1 1 1 11  -11 33 o 17.695  2.7860  42.416    12.508    56.248    21.070    34.888    15.543    19.792  4.1090  15.598  3.7636  4.194654       5.572091 
1 1 1 11  -11 34 o 51.681  2.0759  361.943   28.371    401.748   43.761    333.080   37.264    54.066  3.0341  49.296  2.8341  4.769764       4.151870 
1 1 1 11  -11 35 o 15.759  2.8193  39.949    12.991    12.349    21.936    54.859    16.123    11.790  4.6716  19.728  3.1577  -7.938200      5.638676 
1 1 1 11  -11 36 o 21.570  2.7014  63.906    14.524    79.892    24.758    55.519    17.933    23.466  4.0875  19.674  3.5331  3.792847       5.402812 
1 1 1 11  -11 37 o 36.236  2.2713  182.184   21.354    197.085   34.362    172.808   27.257    37.284  3.4811  35.188  2.9183  2.096695       4.542554 
1 1 1 11  -11 38 o 11.841  2.9979  18.519    12.758    1.8960    22.538    26.357    15.477    10.329  4.4599  13.353  4.0073  -3.023938      5.995821 
1 1 1 11  -11 39 o 11.621  3.1653  15.130    12.849    20.749    24.020    12.878    15.207    12.811  4.9430  10.431  3.9553  2.380607       6.330701 
1 1 1 11  -11 40 o 10.915  4.6518  7.4243    23.927    7.4243    23.927    0.0000    0.0000    10.915  4.6518  ?       ?       ?              ?        
1 1 1 11  -11 41 o 12.063  2.9362  18.899    14.754    -22.7355  25.975    38.731    17.927    8.6049  4.0972  15.522  4.2069  -6.916933      5.872379 
1 1 1 11  -11 42 o 8.7911  2.7403  0.1468    12.741    -21.9589  24.576    8.2718    14.899    8.2925  3.9586  9.2897  3.7903  -0.9971495     5.480616 
1 1 1 11  -11 43 o 22.434  3.4679  89.886    19.103    79.859    34.234    94.421    23.020    20.180  5.9368  24.688  3.5861  -4.508381      6.935804 
1 1 1 11  -11 44 o 26.226  3.1581  106.091   19.999    148.427   37.108    88.760    23.743    29.027  4.9505  23.425  3.9228  5.601889       6.316296 
1 1 1 11  -11 45 f 19.711  3.6065  81.402    19.583    60.500    36.034    90.163    23.329    16.071  6.0899  23.351  3.8652  -7.280090      7.212967 
1 1 1 11  -11 46 o 11.663  3.4325  23.763    16.335    32.511    31.382    20.512    19.131    12.419  5.3109  10.908  4.3499  1.511296       6.864946 
1 1 1 11  -10 0  o 157.354 3.1636  3320.07   133.323   3278.48   189.062   3361.21   188.036   156.372 4.5139  158.336 4.4338  -1.963867      6.327243 
1 1 1 11  -10 1  o 121.064 2.5683  1964.15   83.280    1982.04   118.283   1946.56   117.275   121.611 3.6313  120.518 3.6330  1.093369       5.136612 
1 1 1 11  -10 2  o 244.755 4.6384  8043.40   303.952   7785.59   430.157   8300.49   429.550   240.827 6.6686  248.682 6.4488  -7.855072      9.276699 
1 1 1 11  -10 3  o 234.103 4.4527  7356.40   279.124   7160.28   394.861   7552.28   394.621   230.977 6.3824  237.229 6.2105  -6.251831      8.905357 
1 1 1 11  -10 4  o 203.080 3.9760  5533.36   216.219   5384.61   305.515   5682.63   306.045   200.341 5.6934  205.820 5.5515  -5.478348      7.951988 
1 1 1 11  -10 5  o 130.785 2.7228  2292.70   95.345    2210.34   134.310   2376.37   135.372   128.415 3.9048  133.154 3.7956  -4.738800      5.445605 
1 1 1 11  -10 6  o 144.538 2.8984  2800.54   112.208   2797.33   158.331   2803.78   159.044   144.454 4.0921  144.620 4.1058  -0.1658783     5.796796 
1 1 1 11  -10 7  o 220.619 4.1998  6532.87   248.174   6531.83   351.114   6533.90   350.830   220.602 5.9422  220.637 5.9365  -0.3533936E-01 8.399521 
1 1 1 11  -10 8  o 191.074 3.6980  4898.58   189.256   4909.55   268.348   4887.72   266.953   191.287 5.2375  190.862 5.2219  0.4246979      7.395908 
1 1 1 11  -10 9  o 105.697 2.3245  1496.89   65.796    1527.48   94.130    1467.66   92.006    106.753 3.2920  104.642 3.2826  2.110901       4.648963 
1 1 1 11  -10 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -10 11 o 143.278 5.9883  2759.02   229.811   0.0000    0.0000    2759.02   229.811   ?       ?       143.278 5.9883  ?              ?        
1 1 1 11  -10 12 o 217.820 4.1746  6379.29   243.536   6494.17   345.436   6265.77   343.397   219.775 5.8681  215.865 5.9391  3.909622       8.349153 
1 1 1 11  -10 13 o 213.821 4.1462  6151.10   237.451   6102.88   336.409   6198.97   335.208   212.980 5.8971  214.662 5.8300  -1.681320      8.292483 
1 1 1 11  -10 14 o 158.340 3.2311  3368.28   137.027   3417.90   194.159   3319.05   193.415   159.505 4.5446  157.176 4.5942  2.328659       6.462224 
1 1 1 11  -10 15 o 78.342  2.0737  823.217   43.505    843.668   61.637    802.915   61.414    79.313  2.9014  77.371  2.9635  1.941696       4.147333 
1 1 1 11  -10 16 o 49.670  1.8193  331.768   24.116    340.101   34.095    323.426   34.114    50.299  2.5389  49.042  2.6064  1.256950       3.638620 
1 1 1 11  -10 17 o 147.311 3.0873  2917.94   121.807   2944.58   171.820   2891.02   172.706   147.992 4.3346  146.631 4.3974  1.360474       6.174590 
1 1 1 11  -10 18 o 104.657 2.4481  1470.83   68.622    1471.42   96.492    1470.23   97.608    104.679 3.4415  104.634 3.4828  0.4560089E-01  4.896260 
1 1 1 11  -10 19 o 123.724 2.7469  2057.18   91.007    1994.86   127.870   2121.14   129.554   121.822 3.9188  125.627 3.8502  -3.804718      5.493710 
1 1 1 11  -10 20 o 90.834  2.8374  1126.16   64.568    1156.44   79.257    1066.42   111.338   92.804  3.1885  88.863  4.6944  3.941185       5.674797 
1 1 1 11  -10 21 o 150.673 3.1302  3056.73   126.299   3037.29   180.159   3075.51   177.106   150.193 4.4783  151.154 4.3745  -0.9605255     6.260321 
1 1 1 11  -10 22 o 42.072  1.9528  238.086   21.818    244.669   32.311    232.569   29.580    42.599  2.8482  41.545  2.6724  1.054230       3.905633 
1 1 1 11  -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -10 24 o 148.476 3.0897  2969.74   122.621   3236.78   175.895   2717.25   171.033   154.995 4.2369  141.958 4.4981  13.03705       6.179347 
1 1 1 11  -10 25 o 57.783  1.9480  445.990   30.060    483.007   44.627    415.245   40.671    59.964  2.7786  55.602  2.7309  4.362267       3.895933 
1 1 1 11  -10 26 o 144.170 3.0614  2806.93   118.178   2882.43   169.718   2735.87   164.656   146.048 4.3386  142.292 4.3202  3.755951       6.122709 
1 1 1 11  -10 27 f 84.193  2.2815  958.920   51.205    908.494   74.933    1003.10   70.136    82.079  3.4084  86.308  3.0339  -4.229431      4.563097 
1 1 1 11  -10 28 o 51.288  1.9906  351.320   27.081    402.017   40.883    311.683   36.149    54.558  2.8072  48.018  2.8230  6.539764       3.981155 
1 1 1 11  -10 29 o 75.413  2.1601  768.167   43.473    769.991   64.310    766.632   58.994    75.467  3.1815  75.358  2.9227  0.1094208      4.320198 
1 1 1 11  -10 30 o 22.596  2.4429  72.556    13.792    63.500    21.841    78.562    17.787    21.246  3.9843  23.945  2.8279  -2.698357      4.885884 
1 1 1 11  -10 31 o 45.251  2.0643  283.056   24.366    253.772   37.212    305.035   32.238    43.074  3.2493  47.428  2.5470  -4.354324      4.128590 
1 1 1 11  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -10 33 o 48.120  2.1030  318.464   26.499    309.880   41.160    324.541   34.630    47.455  3.2580  48.785  2.6603  -1.329967      4.206091 
1 1 1 11  -10 34 o 42.546  2.0640  244.201   23.079    276.378   36.337    222.445   29.879    44.816  3.0452  40.276  2.7869  4.539852       4.127947 
1 1 1 11  -10 35 o 35.820  2.2197  179.345   20.430    171.942   32.715    184.078   26.157    35.041  3.5339  36.599  2.6870  -1.557507      4.439423 
1 1 1 11  -10 36 o 43.484  2.1824  261.634   24.718    268.297   39.332    257.284   31.777    43.785  3.3799  43.182  2.7619  0.6030846      4.364844 
1 1 1 11  -10 37 o 34.425  2.2762  161.600   20.348    194.917   32.939    141.041   25.875    37.158  3.3454  31.692  3.0874  5.465574       4.552363 
1 1 1 11  -10 38 o 42.628  2.2622  252.806   25.052    278.322   40.660    237.192   31.807    44.139  3.4671  41.116  2.9069  3.023731       4.524473 
1 1 1 11  -10 39 o 5.5340  1.9295  -23.8553  9.3428    -47.1928  18.773    -16.1718  10.772    5.8322  2.9138  5.2359  2.5301  0.5962491      3.858965 
1 1 1 11  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -10 41 o 9.6632  2.9408  2.6662    12.221    13.924    23.912    -1.3144   14.218    11.502  4.7589  7.8242  3.4562  3.677986       5.881554 
1 1 1 11  -10 42 o 21.514  3.3949  81.392    18.050    69.272    32.484    86.805    21.710    19.163  5.8180  23.865  3.5004  -4.702103      6.789850 
1 1 1 11  -10 43 o 8.1110  2.6785  -7.4976   12.300    -10.7508  25.413    -6.5023   14.056    9.1416  4.2577  7.0804  3.2509  2.061239       5.356930 
1 1 1 11  -10 44 o 24.674  3.4341  99.907    20.630    130.160   37.262    86.536    24.773    26.503  5.4316  22.845  4.2035  3.658350       6.868137 
1 1 1 11  -10 45 o 12.578  3.3415  29.242    15.905    13.345    30.311    35.282    18.684    11.210  4.9938  13.947  4.4412  -2.736716      6.682981 
1 1 1 11  -9  0  o 703.890 13.061  67377.30  2462.51   67258.33  3483.04   67496.21  3482.00   703.258 18.491  704.523 18.452  -1.264954      26.12255 
1 1 1 11  -9  1  o 229.926 4.3785  7092.00   269.643   7155.52   381.973   7028.90   380.698   230.954 6.1747  228.899 6.2094  2.054749       8.756917 
1 1 1 11  -9  2  o 521.979 9.4988  36780.19  1328.00   36440.14  1878.29   37120.09  1877.86   519.547 13.497  524.411 13.369  -4.864258      18.99767 
1 1 1 11  -9  3  o 242.149 4.6278  7868.49   300.115   7714.25   424.432   8022.72   424.421   239.771 6.6088  244.527 6.4801  -4.755981      9.255680 
1 1 1 11  -9  4  o 218.938 4.1969  6429.92   246.094   6324.48   347.639   6535.82   348.421   217.137 5.9773  220.740 5.8930  -3.603088      8.393785 
1 1 1 11  -9  5  o 124.008 2.5945  2060.68   86.164    2013.54   121.398   2108.54   122.317   122.578 3.6975  125.438 3.6406  -2.859718      5.188983 
1 1 1 11  -9  6  o 117.756 2.4854  1858.69   78.365    1807.84   111.000   1909.23   110.650   116.149 3.5679  119.364 3.4609  -3.214828      4.970723 
1 1 1 11  -9  7  o 138.340 2.7797  2564.96   102.995   2582.92   146.388   2547.35   144.937   138.819 3.9370  137.860 3.9251  0.9589539      5.559366 
1 1 1 11  -9  8  o 214.601 4.1137  6181.19   236.391   6044.91   335.365   6315.76   333.259   212.243 5.8992  216.958 5.7348  -4.714600      8.227305 
1 1 1 11  -9  9  o 284.389 5.2650  10869.96  401.033   11018.36  568.360   10722.81  565.942   286.327 7.4109  282.451 7.4807  3.875610       10.53005 
1 1 1 11  -9  10 o 316.660 5.8775  13497.31  498.506   13591.90  706.063   13403.29  703.930   317.769 8.2955  315.550 8.3286  2.218872       11.75504 
1 1 1 11  -9  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -9  12 o 287.896 7.7695  11239.82  598.664   10721.77  845.756   11760.02  847.523   281.168 11.230  294.625 10.740  -13.45682      15.53901 
1 1 1 11  -9  13 o 172.138 3.4456  3979.84   158.846   4056.13   224.773   3903.72   224.511   173.790 4.8287  170.485 4.9166  3.305069       6.891228 
1 1 1 11  -9  14 o 194.460 3.8402  5085.85   199.985   5193.96   282.658   4977.49   282.984   196.539 5.3694  192.382 5.4917  4.157013       7.680445 
1 1 1 11  -9  15 o 196.348 3.8616  5188.12   203.071   5249.69   286.737   5126.15   287.635   197.524 5.4197  195.172 5.5022  2.351929       7.723148 
1 1 1 11  -9  16 o 116.327 2.6123  1816.85   81.387    1826.58   114.525   1806.92   115.681   116.644 3.6656  116.010 3.7229  0.6340103      5.224623 
1 1 1 11  -9  17 o 154.026 3.1990  3190.44   131.964   3213.86   185.874   3166.64   187.386   154.601 4.4887  153.451 4.5591  1.149612       6.397924 
1 1 1 11  -9  18 f 93.831  2.2687  1184.40   56.889    1117.79   81.575    1247.47   79.377    91.248  3.3377  96.414  3.0737  -5.165421      4.537379 
1 1 1 11  -9  19 o 102.180 2.3854  1401.60   65.263    1416.49   93.738    1387.59   90.919    102.704 3.4075  101.656 3.3391  1.047356       4.770851 
1 1 1 11  -9  20 o 138.657 2.9136  2584.37   108.159   2697.97   154.728   2475.82   151.251   141.641 4.0784  135.673 4.1622  5.968079       5.827262 
1 1 1 11  -9  21 o 200.908 3.9839  5453.10   214.294   5321.58   304.868   5581.53   301.279   198.483 5.7346  203.333 5.5319  -4.850494      7.967848 
1 1 1 11  -9  22 o 244.963 4.7292  8134.44   310.283   8209.44   440.965   8060.89   436.678   246.080 6.6902  243.846 6.6859  2.234634       9.458302 
1 1 1 11  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -9  24 o 102.279 2.4245  1403.43   66.339    1501.47   96.180    1314.47   91.621    105.683 3.3977  98.876  3.4595  6.806900       4.848998 
1 1 1 11  -9  25 o 117.591 2.6569  1863.06   83.591    1834.81   120.558   1889.22   116.003   116.715 3.8564  118.467 3.6558  -1.752266      5.313807 
1 1 1 11  -9  26 o 178.361 3.5689  4309.41   170.250   4637.36   243.861   3997.57   237.794   185.030 4.9205  171.691 5.1709  13.33823       7.137891 
1 1 1 11  -9  27 o 37.510  2.0442  185.031   19.966    245.249   31.062    142.635   26.063    42.613  2.7359  32.407  3.0381  10.20562       4.088394 
1 1 1 11  -9  28 o 145.719 3.1052  2881.26   121.138   2987.20   174.556   2782.84   168.249   148.299 4.3945  143.140 4.3884  5.159576       6.210411 
1 1 1 11  -9  29 o 93.319  2.3862  1179.34   59.482    1168.79   87.167    1188.54   81.371    92.890  3.5034  93.748  3.2406  -0.8583679     4.772359 
1 1 1 11  -9  30 o 40.618  1.9888  223.097   21.248    230.242   32.877    217.973   27.844    41.137  3.0046  40.099  2.6066  1.037739       3.977680 
1 1 1 11  -9  31 o 8.2203  2.4397  1.8458    8.8626    -0.6485   14.692    3.2727    11.112    8.4331  3.6208  8.0074  3.2710  0.4256802      4.879477 
1 1 1 11  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -9  33 o 23.733  2.4602  76.735    14.845    89.245    24.221    69.209    18.787    25.202  3.6981  22.264  3.2457  2.938086       4.920435 
1 1 1 11  -9  34 o 37.630  2.1608  195.758   21.146    192.365   33.212    198.072   27.423    37.240  3.3660  38.021  2.7105  -0.7810402     4.321652 
1 1 1 11  -9  35 o 19.509  2.9070  59.847    14.294    38.724    23.624    72.047    17.953    16.307  4.9639  22.710  3.0269  -6.402758      5.813934 
1 1 1 11  -9  36 o 17.934  3.0356  47.443    13.942    46.940    23.503    47.716    17.317    17.710  4.8240  18.158  3.6864  -0.4478645     6.071278 
1 1 1 11  -9  37 o 48.971  2.1928  329.293   28.169    369.663   44.790    302.878   36.231    51.297  3.2770  46.645  2.9146  4.651787       4.385578 
1 1 1 11  -9  38 o 9.7058  2.8602  5.5056    12.225    -6.3512   22.128    10.714    14.666    9.3880  4.2183  10.024  3.8638  -0.6356544     5.720381 
1 1 1 11  -9  39 o 9.8118  2.9478  3.1663    12.425    11.100    22.936    -0.1288   14.782    11.361  4.6767  8.2629  3.5899  3.097888       5.895669 
1 1 1 11  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -9  41 o 26.930  2.9675  112.190   19.412    118.099   33.898    109.307   23.680    26.749  4.9122  27.111  3.3310  -0.3617744     5.935097 
1 1 1 11  -9  42 o 9.6052  2.9902  2.7998    13.154    5.9932    26.339    1.7387    15.183    10.812  4.7424  8.3987  3.6435  2.412941       5.980432 
1 1 1 11  -9  43 o 8.3862  2.7485  -8.1437   12.181    2.7086    25.133    -11.4756  13.926    10.221  4.5508  6.5512  3.0835  3.669862       5.497039 
1 1 1 11  -9  44 o 10.701  3.0908  14.537    14.224    -1.1109   26.986    20.557    16.738    9.9663  4.5491  11.436  4.1856  -1.469184      6.181695 
1 1 1 11  -9  45 o 11.769  3.3232  23.306    15.441    15.371    30.219    26.110    17.964    11.340  5.0225  12.197  4.3532  -0.8564472     6.646488 
1 1 1 11  -8  0  o 414.511 7.6956  23117.90  854.411   23103.31  1208.84   23132.46  1207.80   414.379 10.891  414.643 10.875  -0.2641907     15.39120 
1 1 1 11  -8  1  o 285.848 5.3001  10967.16  405.758   11157.56  574.510   10777.65  573.150   288.328 7.4391  283.368 7.5514  4.960541       10.60021 
1 1 1 11  -8  2  o 435.376 7.9848  25512.22  931.121   25725.44  1317.31   25299.32  1316.29   437.202 11.249  433.550 11.335  3.652405       15.96955 
1 1 1 11  -8  3  o 264.507 4.9653  9389.01   351.729   9194.06   497.254   9584.21   497.586   261.754 7.0924  267.261 6.9510  -5.506531      9.930689 
1 1 1 11  -8  4  o 209.232 3.9800  5870.89   223.031   5951.31   315.091   5790.15   315.736   210.670 5.5840  207.794 5.6728  2.876099       7.960021 
1 1 1 11  -8  5  o 384.341 7.1588  19869.67  736.847   19453.19  1041.90   20286.42  1042.22   380.295 10.229  388.388 10.019  -8.093384      14.31766 
1 1 1 11  -8  6  o 200.193 3.8842  5375.98   208.203   5234.06   295.175   5516.50   293.716   197.558 5.5782  202.827 5.4065  -5.268784      7.768300 
1 1 1 11  -8  7  o 291.273 5.3713  11392.51  419.026   11569.32  593.868   11217.21  591.326   293.528 7.5535  289.018 7.6386  4.509949       10.74261 
1 1 1 11  -8  8  o 403.014 7.3509  21870.84  793.497   21808.29  1123.14   21933.19  1121.21   402.434 10.420  403.594 10.372  -1.160828      14.70175 
1 1 1 11  -8  9  o 332.614 6.1900  14880.74  551.447   14760.62  780.765   15000.31  778.966   331.267 8.7994  333.961 8.7083  -2.693756      12.38000 
1 1 1 11  -8  10 o 151.193 3.0651  3065.09   124.124   3077.58   176.160   3052.76   174.923   151.499 4.3412  150.887 4.3282  0.6116486      6.130174 
1 1 1 11  -8  11 f 146.574 3.0165  2881.68   118.390   2972.59   167.674   2791.30   167.184   148.883 4.2047  144.266 4.3265  4.617203       6.033092 
1 1 1 11  -8  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -8  13 o 251.460 4.8041  8510.98   323.567   8515.20   457.088   8506.73   458.099   251.524 6.7847  251.395 6.8032  0.1285400      9.608102 
1 1 1 11  -8  14 o 36.850  1.7544  183.002   17.197    188.430   24.035    177.308   24.616    37.418  2.4110  36.281  2.5492  1.136791       3.508766 
1 1 1 11  -8  15 o 119.184 2.5784  1905.60   82.264    1997.42   117.421   1817.10   115.285   122.006 3.5932  116.362 3.6989  5.644234       5.156817 
1 1 1 11  -8  16 o 201.715 3.9579  5478.68   213.835   5523.08   303.702   5435.04   301.131   202.525 5.5986  200.905 5.5960  1.620163       7.915757 
1 1 1 11  -8  17 o 154.539 3.1787  3213.19   131.484   3110.24   187.273   3313.27   184.648   152.083 4.5973  156.996 4.3910  -4.913422      6.357423 
1 1 1 11  -8  18 o 110.012 2.5174  1627.27   74.081    1567.22   106.174   1684.24   103.415   108.023 3.6695  112.002 3.4472  -3.979027      5.034758 
1 1 1 11  -8  19 o 236.488 4.5503  7560.39   288.202   7698.83   409.453   7424.46   405.731   238.643 6.4057  234.332 6.4642  4.310959       9.100516 
1 1 1 11  -8  20 o 96.609  2.3519  1256.23   60.715    1193.72   87.446    1314.42   84.365    94.272  3.4631  98.946  3.1833  -4.673874      4.703894 
1 1 1 11  -8  21 o 128.956 2.8627  2244.41   98.511    2058.61   140.971   2421.72   137.716   123.693 4.2550  134.218 3.8307  -10.52528      5.725327 
1 1 1 11  -8  22 o 162.323 3.3253  3549.76   144.548   3549.88   206.516   3549.64   202.390   162.316 4.7501  162.329 4.6548  -0.1382446E-01 6.650635 
1 1 1 11  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -8  24 f 121.538 2.7343  1988.32   88.941    1976.02   128.120   1999.76   123.567   121.163 3.9478  121.913 3.7841  -0.7505569     5.468525 
1 1 1 11  -8  25 o 202.710 4.0129  5568.79   217.818   5764.33   310.952   5380.41   305.209   206.222 5.6295  199.197 5.7204  7.024460       8.025829 
1 1 1 11  -8  26 o 164.603 3.3931  3665.70   149.552   3775.32   214.496   3562.00   208.623   166.998 4.7954  162.209 4.8017  4.788879       6.786172 
1 1 1 11  -8  27 o 141.777 3.0937  2725.17   117.327   2650.51   168.800   2794.95   163.193   139.848 4.5064  143.705 4.2398  -3.857559      6.187327 
1 1 1 11  -8  28 o 86.014  2.2937  997.340   52.712    1014.95   77.615    982.262   71.815    86.698  3.3423  85.331  3.1421  1.367027       4.587363 
1 1 1 11  -8  29 o 13.134  2.7835  21.965    10.315    31.173    17.302    16.887    12.849    14.921  4.1685  11.347  3.6898  3.574142       5.566957 
1 1 1 11  -8  30 o 32.117  2.0885  140.467   17.506    142.301   27.209    139.173   22.867    32.248  3.1919  31.987  2.6941  0.2612915      4.176923 
1 1 1 11  -8  31 o 39.431  2.2588  223.660   22.312    162.955   34.132    268.957   29.484    34.321  3.7752  44.540  2.4813  -10.21832      4.517604 
1 1 1 11  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -8  33 o 53.692  2.0837  386.381   29.533    455.639   45.962    337.678   38.543    57.704  2.9840  49.681  2.9091  8.022362       4.167407 
1 1 1 11  -8  34 o 46.421  2.1844  298.778   26.422    285.440   41.295    308.023   34.380    45.391  3.4217  47.450  2.7163  -2.058880      4.368814 
1 1 1 11  -8  35 o 42.027  2.2007  241.703   24.148    258.816   38.463    230.570   31.024    43.137  3.3553  40.917  2.8486  2.220509       4.401393 
1 1 1 11  -8  36 o 33.816  2.3996  160.706   20.554    160.669   34.093    160.727   25.763    33.582  3.8605  34.050  2.8511  -0.4682693     4.799190 
1 1 1 11  -8  37 o 18.758  3.1092  48.891    14.705    67.484    25.817    39.961    17.892    21.127  4.6850  16.390  4.0889  4.737181       6.218442 
1 1 1 11  -8  38 o 27.390  3.1910  131.586   19.861    62.736    32.530    172.505   25.078    19.638  5.7900  35.142  2.6846  -15.50337      6.382064 
1 1 1 11  -8  39 o 13.085  3.0017  14.877    12.590    50.431    23.342    0.2918    14.950    17.813  4.7890  8.3568  3.6204  9.455882       6.003474 
1 1 1 11  -8  40 o 20.490  3.8126  63.924    20.154    0.0000    0.0000    63.924    20.154    ?       ?       20.490  3.8126  ?              ?        
1 1 1 11  -8  41 o 11.661  3.2554  15.524    13.488    25.132    26.474    12.155    15.676    13.168  5.1589  10.153  3.9719  3.015887       6.510812 
1 1 1 11  -8  42 o 12.670  3.3326  24.803    14.550    19.051    27.949    26.941    17.041    12.370  5.1337  12.969  4.2509  -0.5994282     6.665236 
1 1 1 11  -8  43 o 7.8217  2.6516  -16.5562  12.952    -9.1741   26.463    -18.8816  14.852    9.4401  4.3792  6.2033  2.9910  3.236828       5.303130 
1 1 1 11  -8  44 f 7.9227  2.6093  -7.7231   12.949    -36.5237  27.424    0.5413    14.690    7.8642  3.8528  7.9813  3.5199  -0.1171422     5.218634 
1 1 1 11  -8  45 o 9.3183  2.9938  2.9002    13.813    4.7801    29.899    2.3901    15.575    10.399  4.7623  8.2379  3.6292  2.160807       5.987499 
1 1 1 11  -7  0  o 120.124 2.5883  1933.41   83.279    1937.32   118.136   1929.53   117.415   120.245 3.6680  120.003 3.6529  0.2417984      5.176682 
1 1 1 11  -7  1  o 335.345 6.1819  15101.85  555.258   15197.74  785.744   15006.20  784.766   336.411 8.7201  334.280 8.7648  2.131256       12.36371 
1 1 1 11  -7  2  o 377.477 6.9237  19148.51  700.030   19195.97  990.178   19101.09  989.806   377.946 9.7813  377.008 9.8019  0.9379272      13.84740 
1 1 1 11  -7  3  o 216.701 4.1607  6297.38   241.467   6174.53   341.252   6420.58   341.721   214.582 5.9373  218.821 5.8303  -4.238754      8.321362 
1 1 1 11  -7  4  o 139.886 2.8709  2622.44   107.557   2587.84   152.292   2656.87   151.925   138.964 4.0915  140.807 4.0282  -1.842346      5.741707 
1 1 1 11  -7  5  o 271.251 5.0566  9873.11   367.380   9899.82   520.519   9846.59   518.593   271.616 7.1547  270.886 7.1475  0.7305908      10.11316 
1 1 1 11  -7  6  o 262.598 4.9366  9254.64   347.163   9082.59   491.830   9425.48   490.100   260.159 7.0581  265.036 6.9038  -4.876862      9.873165 
1 1 1 11  -7  7  o 529.146 9.8138  37807.76  1390.90   37565.07  1967.88   38050.02  1966.17   527.433 13.930  530.858 13.828  -3.425415      19.62766 
1 1 1 11  -7  8  o 338.178 6.2352  15371.91  564.759   15218.18  799.456   15525.06  797.926   336.483 8.8704  339.873 8.7651  -3.390167      12.47041 
1 1 1 11  -7  9  o 368.234 6.8412  18247.15  674.752   18222.02  954.523   18272.25  953.966   367.978 9.6844  368.489 9.6654  -0.5103149     13.68241 
1 1 1 11  -7  10 o 105.711 2.4068  1497.79   68.138    1523.65   96.257    1471.81   96.466    106.627 3.3704  104.796 3.4367  1.831322       4.813534 
1 1 1 11  -7  11 o 148.401 3.0656  2954.45   121.802   3045.60   171.849   2862.44   172.661   150.706 4.2572  146.097 4.4123  4.608704       6.131266 
1 1 1 11  -7  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -7  13 o 222.163 4.3064  6637.82   256.144   6432.86   363.128   6840.80   361.363   218.734 6.1981  225.593 5.9804  -6.859573      8.612823 
1 1 1 11  -7  14 o 185.567 3.7008  4630.40   183.813   4456.36   260.996   4801.69   258.918   182.091 5.3513  189.043 5.1134  -6.952744      7.401564 
1 1 1 11  -7  15 o 136.624 2.8823  2506.15   105.455   2493.05   150.376   2518.81   147.926   136.269 4.1200  136.978 4.0318  -0.7093811     5.764540 
1 1 1 11  -7  16 o 148.981 3.0740  2982.00   122.652   2982.65   174.815   2981.38   172.128   148.993 4.3805  148.969 4.3139  0.2435303E-01  6.148033 
1 1 1 11  -7  17 o 54.984  1.8108  404.177   26.626    435.133   38.823    376.685   36.587    56.966  2.5444  53.001  2.5772  3.964615       3.621597 
1 1 1 11  -7  18 o 115.239 2.5809  1783.00   79.645    1802.40   114.159   1764.60   111.169   115.847 3.6791  114.631 3.6207  1.216080       5.161896 
1 1 1 11  -7  19 o 186.939 3.7343  4711.04   186.922   4626.42   266.021   4793.56   262.704   185.263 5.3609  188.616 5.2000  -3.352646      7.468534 
1 1 1 11  -7  20 f 53.036  1.9130  379.975   26.945    354.350   39.489    402.302   36.860    51.306  2.8853  54.767  2.5128  -3.460621      3.826061 
1 1 1 11  -7  21 o 181.378 3.6546  4436.46   177.503   4395.98   253.061   4475.67   249.041   180.548 5.2329  182.208 5.1029  -1.660126      7.309109 
1 1 1 11  -7  22 o 86.336  2.2794  1005.77   52.453    931.448   76.096    1073.05   72.401    83.268  3.4119  89.403  3.0234  -6.135117      4.558739 
1 1 1 11  -7  23 o 84.753  4.1994  966.863   95.330    0.0000    0.0000    966.863   95.330    ?       ?       84.753  4.1994  ?              ?        
1 1 1 11  -7  24 o 63.119  1.9982  530.572   33.472    630.657   49.821    448.228   45.190    68.541  2.7138  57.698  2.9338  10.84306       3.996473 
1 1 1 11  -7  25 o 65.688  2.0380  576.125   35.746    631.235   53.074    530.371   48.359    68.544  2.8908  62.831  2.8735  5.713306       4.076012 
1 1 1 11  -7  26 o 108.680 2.5545  1589.66   74.286    1634.91   108.021   1549.05   102.322   110.137 3.6617  107.224 3.5628  2.912651       5.108993 
1 1 1 11  -7  27 o 98.982  2.4442  1318.13   64.701    1381.27   94.772    1263.01   88.548    101.188 3.4967  96.776  3.4160  4.412842       4.888387 
1 1 1 11  -7  28 o 91.469  2.3735  1130.75   57.983    1119.81   85.069    1140.25   79.242    91.024  3.4892  91.914  3.2188  -0.8891754     4.747078 
1 1 1 11  -7  29 o 58.930  2.0416  465.661   32.047    497.783   48.480    440.732   42.709    60.707  2.9815  57.153  2.7899  3.554428       4.083249 
1 1 1 11  -7  30 o 66.880  2.2132  616.598   38.873    536.632   58.035    681.667   52.351    62.746  3.4666  71.013  2.7523  -8.266953      4.426351 
1 1 1 11  -7  31 o 40.635  2.0351  219.374   21.692    276.576   33.674    178.802   28.360    45.088  2.8022  36.181  2.9521  8.906845       4.070278 
1 1 1 11  -7  32 o 59.684  2.8267  484.172   45.188    0.0000    0.0000    484.172   45.188    ?       ?       59.684  2.8267  ?              ?        
1 1 1 11  -7  33 o 56.871  2.1545  443.426   32.291    437.160   49.686    448.007   42.487    56.378  3.3047  57.363  2.7652  -0.9849854     4.309037 
1 1 1 11  -7  34 o 57.760  2.1587  454.110   32.941    488.337   50.988    429.591   43.156    59.538  3.2092  55.982  2.8879  3.556042       4.317304 
1 1 1 11  -7  35 o 47.928  2.1518  310.344   27.023    355.321   43.232    281.501   34.619    50.648  3.2033  45.209  2.8739  5.438660       4.303514 
1 1 1 11  -7  36 o 9.8150  2.7568  2.5470    10.638    19.902    19.070    -5.2937   12.818    12.484  4.4821  7.1464  3.2108  5.337142       5.513541 
1 1 1 11  -7  37 o 23.345  3.0343  88.848    16.722    58.756    28.745    104.241   20.558    19.409  5.3548  27.282  2.8556  -7.872581      6.068669 
1 1 1 11  -7  38 o 34.987  2.5389  178.678   22.328    168.668   36.771    184.525   28.102    33.778  4.1517  36.196  2.9235  -2.417908      5.077776 
1 1 1 11  -7  39 o 31.748  4.4538  154.240   36.832    154.240   36.832    0.0000    0.0000    31.748  4.4538  ?       ?       ?              ?        
1 1 1 11  -7  40 o 15.376  3.2331  39.633    14.423    27.850    25.823    44.975    17.388    13.696  5.1637  17.056  3.8920  -3.359872      6.466125 
1 1 1 11  -7  41 o 19.431  3.3659  64.586    16.818    56.414    29.690    68.447    20.407    17.758  5.5924  21.104  3.7474  -3.346741      6.731828 
1 1 1 11  -7  42 o 14.039  3.5424  28.159    15.224    47.734    29.803    21.247    17.709    16.189  5.6213  11.889  4.3123  4.299981       7.084820 
1 1 1 11  -7  43 o 9.5647  2.9668  3.9909    14.192    -15.8036  28.643    10.432    16.338    9.3292  4.4004  9.8003  3.9805  -0.4711246     5.933648 
1 1 1 11  -7  44 o 19.148  3.7225  59.157    18.344    104.178   35.211    42.385    21.492    23.012  5.7336  15.284  4.7490  7.728058       7.444945 
1 1 1 11  -7  45 o 14.973  3.5252  24.959    16.190    97.015    34.227    4.1893    18.376    21.062  5.8555  8.8855  3.9268  12.17605       7.050307 
1 1 1 11  -6  0  o 263.858 4.9927  9339.77   352.839   9451.84   499.506   9228.16   498.474   265.440 7.0256  262.276 7.0957  3.163940       9.985396 
1 1 1 11  -6  1  o 512.648 9.3247  35407.25  1280.17   36182.54  1811.20   34633.28  1809.66   518.288 13.047  507.008 13.326  11.28024       18.64933 
1 1 1 11  -6  2  o 312.816 5.7880  13135.12  484.954   13067.02  685.885   13203.20  685.773   312.003 8.2074  313.629 8.1635  -1.625336      11.57597 
1 1 1 11  -6  3  o 92.386  2.1973  1143.37   54.367    1148.97   77.506    1137.94   76.281    92.609  3.1246  92.163  3.0901  0.4453201      4.394507 
1 1 1 11  -6  4  o 48.418  1.6614  316.453   21.067    397.554   30.370    241.235   29.247    54.480  2.0812  42.357  2.5904  12.12262       3.322865 
1 1 1 11  -6  5  o 116.175 2.5314  1808.00   78.762    1837.75   112.300   1779.21   110.494   117.115 3.5800  115.234 3.5799  1.880440       5.062766 
1 1 1 11  -6  6  o 326.844 6.1231  14347.68  536.046   14356.43  759.045   14338.98  757.127   326.942 8.6678  326.745 8.6511  0.1970215      12.24629 
1 1 1 11  -6  7  o 654.736 12.092  58091.23  2120.63   57891.19  2999.43   58291.16  2998.62   653.594 17.133  655.877 17.069  -2.282837      24.18478 
1 1 1 11  -6  8  o 124.548 2.6833  2079.73   89.449    2172.07   126.534   1987.48   126.465   127.314 3.7106  121.781 3.8771  5.533218       5.366563 
1 1 1 11  -6  9  o 112.136 2.4594  1685.64   73.697    1838.37   105.181   1538.35   103.291   117.130 3.3526  107.142 3.5993  9.987686       4.918795 
1 1 1 11  -6  10 o 110.435 2.4658  1635.29   72.901    1593.04   103.834   1676.37   102.378   109.026 3.5556  111.844 3.4175  -2.818092      4.931696 
1 1 1 11  -6  11 o 364.517 6.7942  17906.45  663.265   17587.21  938.775   18224.63  937.224   361.250 9.7021  367.783 9.5140  -6.532379      13.58846 
1 1 1 11  -6  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -6  13 o 258.003 4.9652  8967.94   342.630   8432.03   485.287   9500.62   483.819   250.269 7.2394  265.736 6.7974  -15.46693      9.930451 
1 1 1 11  -6  14 o 187.630 3.6856  4731.93   184.981   5044.31   263.082   4426.48   260.147   193.773 5.0689  181.486 5.3516  12.28656       7.371112 
1 1 1 11  -6  15 o 147.998 3.0807  2944.57   121.986   2813.44   173.670   3072.27   171.382   144.731 4.4800  151.266 4.2300  -6.534775      6.161380 
1 1 1 11  -6  16 o 219.510 4.2534  6491.72   250.067   6586.92   355.193   6398.15   352.123   221.109 5.9975  217.910 6.0329  3.199051       8.506816 
1 1 1 11  -6  17 o 103.811 2.3988  1445.35   66.675    1489.71   95.815    1403.69   92.840    105.354 3.3954  102.268 3.3893  3.086372       4.797503 
1 1 1 11  -6  18 o 290.864 5.5385  11473.51  431.488   11534.44  612.052   11413.31  608.397   291.630 7.8355  290.098 7.8299  1.532684       11.07707 
1 1 1 11  -6  19 o 65.222  2.0096  575.826   34.795    510.485   50.626    634.320   47.900    61.675  3.0647  68.770  2.6005  -7.095005      4.019288 
1 1 1 11  -6  20 o 173.054 3.4958  4033.10   162.017   4106.56   231.290   3962.31   227.023   174.600 4.9456  171.507 4.9420  3.093170       6.991586 
1 1 1 11  -6  21 o 173.896 3.6079  4087.21   167.546   3769.44   238.852   4395.03   235.083   167.172 5.3343  180.621 4.8592  -13.44902      7.215717 
1 1 1 11  -6  22 o 82.762  4.7054  925.608   103.877   925.608   103.877   0.0000    0.0000    82.762  4.7054  ?       ?       ?              ?        
1 1 1 11  -6  23 o 81.761  2.2460  904.309   48.825    821.381   71.252    977.718   67.038    78.185  3.4024  85.338  2.9329  -7.153076      4.491997 
1 1 1 11  -6  24 o 78.071  2.1673  817.700   45.224    834.588   66.440    803.120   61.732    78.814  3.1473  77.327  2.9805  1.487213       4.334618 
1 1 1 11  -6  25 o 81.401  2.2008  886.609   47.872    958.949   70.615    825.085   65.122    84.458  3.1215  78.344  3.1034  6.114723       4.401666 
1 1 1 11  -6  26 o 77.392  2.1682  800.030   44.759    907.760   66.329    709.966   60.648    82.146  3.0146  72.637  3.1172  9.509933       4.336469 
1 1 1 11  -6  27 o 74.215  2.2182  744.656   43.820    716.678   65.006    767.958   59.325    72.905  3.3289  75.525  2.9326  -2.620461      4.436462 
1 1 1 11  -6  28 o 41.490  2.0113  230.031   22.023    255.794   33.991    211.391   28.912    43.460  2.9373  39.519  2.7485  3.940628       4.022691 
1 1 1 11  -6  29 o 38.794  2.0495  202.982   20.878    212.764   32.485    196.099   27.250    39.553  3.0909  38.035  2.6923  1.517960       4.099041 
1 1 1 11  -6  30 o 52.471  2.0508  371.331   28.465    391.926   43.638    356.078   37.555    53.696  3.0467  51.246  2.7460  2.450066       4.101580 
1 1 1 11  -6  31 o 94.891  5.4430  1266.16   137.762   1266.16   137.762   0.0000    0.0000    94.891  5.4430  ?       ?       ?              ?        
1 1 1 11  -6  32 o 64.877  2.1582  568.861   37.238    613.253   56.859    535.520   49.276    67.032  3.1669  62.723  2.9330  4.308533       4.316466 
1 1 1 11  -6  33 o 17.074  2.9239  42.183    12.789    40.587    21.780    43.023    15.800    16.752  4.6758  17.396  3.5120  -0.6441479     5.847851 
1 1 1 11  -6  34 o 49.180  2.2718  343.107   28.687    289.160   44.566    381.272   37.485    45.545  3.6848  52.816  2.6582  -7.270702      4.543541 
1 1 1 11  -6  35 o 10.552  2.7662  11.798    11.249    -6.8114   20.051    20.345    13.589    9.0302  4.0394  12.074  3.7803  -3.043393      5.532382 
1 1 1 11  -6  36 o 54.458  2.2245  409.203   31.783    433.958   50.191    392.630   41.067    55.662  3.3825  53.253  2.8899  2.408669       4.448941 
1 1 1 11  -6  37 o 13.844  3.1710  24.281    12.794    40.084    23.048    17.243    15.382    16.246  4.8935  11.442  4.0341  4.803508       6.341987 
1 1 1 11  -6  38 o 27.892  2.7325  113.638   19.052    116.795   31.703    111.854   23.836    27.843  4.3969  27.940  3.2455  -0.9696388E-01 5.464956 
1 1 1 11  -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -6  40 o 19.318  3.4402  56.484    16.837    78.597    30.326    46.630    20.244    21.570  5.2894  17.067  4.4002  4.502886       6.880385 
1 1 1 11  -6  41 o 20.014  3.4738  71.756    18.102    54.155    32.701    79.532    21.736    17.204  5.8927  22.825  3.6805  -5.621252      6.947679 
1 1 1 11  -6  42 o 12.382  3.1104  23.488    15.216    -13.7074  29.685    36.745    17.722    9.7564  4.5632  15.008  4.2279  -5.251431      6.220783 
1 1 1 11  -6  43 f 31.368  3.0635  151.681   23.744    192.051   42.236    133.026   28.711    33.601  4.8319  29.136  3.7672  4.464849       6.126952 
1 1 1 11  -6  44 o 17.287  3.7830  49.631    17.572    86.625    34.620    36.792    20.395    20.307  5.9690  14.266  4.6492  6.041016       7.565982 
1 1 1 11  -5  0  o 141.584 2.8658  2686.06   108.679   2688.51   153.925   2683.63   153.467   141.648 4.0570  141.519 4.0487  0.1284943      5.731604 
1 1 1 11  -5  1  o 195.234 4.6662  5139.68   229.243   5194.00   280.576   5030.59   397.594   196.843 5.3216  193.626 7.6663  3.217682       9.332317 
1 1 1 11  -5  2  o 425.118 9.5768  24204.00  1031.39   23904.57  1263.85   24800.96  1784.52   421.612 11.192  428.624 15.544  -7.011902      19.15363 
1 1 1 11  -5  3  o 398.073 9.2346  21660.45  921.649   22284.29  1130.02   20420.90  1592.88   407.182 10.361  388.964 15.289  18.21738       18.46922 
1 1 1 11  -5  4  o 167.698 3.2380  3768.96   145.441   3778.09   206.283   3759.94   205.093   167.900 4.5869  167.496 4.5715  0.4033661      6.475995 
1 1 1 11  -5  5  o 130.954 2.7091  2300.22   94.921    2229.56   136.062   2367.20   132.485   128.992 3.9381  132.917 3.7213  -3.925797      5.418193 
1 1 1 11  -5  6  o 368.973 6.8324  18295.31  675.231   18440.17  956.430   18151.36  953.420   370.432 9.6395  367.514 9.6855  2.918335       13.66488 
1 1 1 11  -5  7  o 168.214 3.3652  3793.65   151.512   3981.16   215.146   3609.17   213.404   172.342 4.6607  164.087 4.8556  8.254791       6.730442 
1 1 1 11  -5  8  o 103.068 2.3551  1425.77   64.710    1602.12   92.279    1255.15   90.767    109.352 3.1505  96.784  3.5013  12.56764       4.710119 
1 1 1 11  -5  9  o 134.066 2.8484  2409.86   102.246   2352.01   145.342   2466.54   143.864   132.471 4.0962  135.661 3.9592  -3.190338      5.696868 
1 1 1 11  -5  10 o 198.699 3.8737  5295.90   206.152   5373.21   292.536   5219.62   290.559   200.141 5.4570  197.257 5.4994  2.883713       7.747375 
1 1 1 11  -5  11 f 313.733 5.8892  13241.74  494.881   13315.62  700.985   13168.33  698.755   314.607 8.3186  312.858 8.3385  1.748291       11.77838 
1 1 1 11  -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -5  13 o 201.112 3.9809  5439.60   214.163   5144.95   303.869   5730.43   301.886   195.676 5.7978  206.549 5.4567  -10.87302      7.961785 
1 1 1 11  -5  14 o 144.276 3.0510  2800.47   117.598   2593.12   167.412   3002.44   165.228   138.978 4.4973  149.574 4.1242  -10.59633      6.102004 
1 1 1 11  -5  15 o 113.689 2.5431  1733.26   77.417    1792.84   110.881   1676.59   108.137   115.595 3.5812  111.783 3.6117  3.812462       5.086210 
1 1 1 11  -5  16 o 244.397 4.7116  8060.28   308.381   7940.94   437.605   8178.01   434.643   242.580 6.7350  246.214 6.5907  -3.634048      9.423236 
1 1 1 11  -5  17 o 121.985 2.6986  1999.06   88.125    1970.56   126.158   2026.22   123.151   121.129 3.8885  122.841 3.7429  -1.711525      5.397145 
1 1 1 11  -5  18 o 55.414  1.8689  411.135   27.694    423.273   40.567    400.541   37.898    56.177  2.6960  54.650  2.5890  1.526112       3.737876 
1 1 1 11  -5  19 o 97.387  2.3651  1274.50   61.615    1246.79   88.851    1300.17   85.518    96.360  3.4425  98.415  3.2442  -2.055687      4.730295 
1 1 1 11  -5  20 o 181.510 3.6321  4438.35   176.494   4640.11   251.973   4244.02   247.293   185.573 5.0693  177.447 5.2030  8.125916       7.264255 
1 1 1 11  -5  21 o 24.313  2.3757  82.951    14.575    70.092    22.360    92.451    19.219    22.524  3.8442  26.101  2.7924  -3.576344      4.751373 
1 1 1 11  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -5  23 o 41.106  1.9816  229.446   21.469    214.602   32.057    241.518   28.910    39.864  3.0249  42.349  2.5607  -2.485641      3.963231 
1 1 1 11  -5  24 o 127.271 2.8215  2179.01   96.128    2234.34   138.808   2128.01   133.253   128.817 4.0230  125.726 3.9570  3.091728       5.642914 
1 1 1 11  -5  25 o 211.038 4.1835  6047.18   236.421   6228.41   337.727   5873.02   331.071   214.152 5.8878  207.924 5.9447  6.227493       8.366938 
1 1 1 11  -5  26 o 157.986 3.2718  3374.75   138.229   3652.90   199.187   3116.36   191.981   164.294 4.5264  151.678 4.7255  12.61555       6.543564 
1 1 1 11  -5  27 o 115.332 2.7254  1801.84   83.969    1743.34   122.057   1854.41   115.699   113.505 4.0147  117.160 3.6869  -3.654472      5.450821 
1 1 1 11  -5  28 o 67.565  2.1327  617.141   38.353    604.580   57.229    627.382   51.674    66.909  3.1933  68.220  2.8279  -1.311218      4.265485 
1 1 1 11  -5  29 o 58.281  2.0713  458.142   32.045    471.893   48.559    447.534   42.650    58.986  3.0842  57.576  2.7656  1.410637       4.142587 
1 1 1 11  -5  30 o 51.864  2.0220  359.547   27.750    413.516   42.677    320.016   36.525    55.184  2.8974  48.545  2.8212  6.638638       4.044067 
1 1 1 11  -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -5  32 o 72.545  2.2330  714.722   43.120    751.646   65.336    686.229   57.394    74.137  3.2902  70.953  3.0200  3.183754       4.466096 
1 1 1 11  -5  33 o 36.940  2.2493  191.951   21.252    171.558   33.652    205.479   27.409    35.103  3.6317  38.777  2.6549  -3.673889      4.498683 
1 1 1 11  -5  34 f 10.525  2.8441  11.490    10.852    6.8150    19.153    13.701    13.171    10.506  4.2932  10.545  3.7313  -0.3844547E-01 5.688106 
1 1 1 11  -5  35 o 44.821  2.1649  269.118   25.339    327.272   41.021    233.237   32.222    48.570  3.1705  41.071  2.9486  7.499104       4.329737 
1 1 1 11  -5  36 o 7.0966  2.3344  -9.5463   9.5338    -12.1060  18.319    -8.5955   11.165    8.0122  3.6908  6.1809  2.8592  1.831300       4.668706 
1 1 1 11  -5  37 f 14.184  3.0770  31.378    13.819    9.8862    24.565    41.327    16.714    11.667  4.8251  16.700  3.8195  -5.032812      6.153936 
1 1 1 11  -5  38 o 7.4893  2.4273  -7.5818   10.661    -26.3819  20.793    -0.8769   12.418    7.4470  3.5779  7.5315  3.2811  -0.8446598E-01 4.854593 
1 1 1 11  -5  39 o 24.849  3.4552  83.708    18.839    130.489   41.929    71.875    21.088    27.798  5.8182  21.900  3.7287  5.897884       6.910491 
1 1 1 11  -5  40 o 24.450  3.2115  93.699    18.908    99.029    33.777    91.266    22.818    24.212  5.3509  24.689  3.5528  -0.4774418     6.422963 
1 1 1 11  -5  41 o 16.625  3.5254  38.731    16.057    73.998    30.440    25.133    18.901    20.501  5.4497  12.748  4.4738  7.753708       7.050813 
1 1 1 11  -5  42 o 17.060  3.7261  47.958    17.321    63.724    32.822    41.873    20.391    18.319  5.8919  15.800  4.5630  2.518380       7.452250 
1 1 1 11  -5  43 o 10.753  3.0976  -14.0017  13.490    49.011    29.152    -31.1724  15.217    15.989  5.5591  5.5175  2.7343  10.47192       6.195153 
1 1 1 11  -5  44 o 13.753  3.6389  20.921    16.820    74.740    34.545    4.1985    19.256    18.333  6.0546  9.1729  4.0385  9.160134       7.277852 
1 1 1 11  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -4  3  f 221.725 6.0141  6591.81   357.168   6591.81   357.168   0.0000    0.0000    221.725 6.0141  ?       ?       ?              ?        
1 1 1 11  -4  4  o 174.401 3.4238  4078.41   159.864   3980.17   227.523   4174.20   224.668   172.323 4.9294  176.479 4.7529  -4.155579      6.847546 
1 1 1 11  -4  5  o 216.097 4.1964  6266.84   242.609   5924.67   343.379   6607.89   342.824   210.195 6.0991  221.999 5.7654  -11.80421      8.392757 
1 1 1 11  -4  6  o 298.801 5.6118  11984.99  449.079   12219.30  635.766   11751.66  634.424   301.722 7.8669  295.880 8.0052  5.841553       11.22368 
1 1 1 11  -4  7  o 495.829 9.2013  33153.77  1221.17   31742.37  1726.56   34566.59  1727.42   485.197 13.285  506.461 12.734  -21.26407      18.40261 
1 1 1 11  -4  8  o 90.733  2.2049  1102.80   53.580    1116.60   76.422    1089.46   75.142    91.292  3.1253  90.175  3.1110  1.116402       4.409810 
1 1 1 11  -4  9  o 250.823 4.7735  8443.83   320.633   8663.91   454.515   8225.81   452.379   254.082 6.6786  247.564 6.8222  6.518463       9.547077 
1 1 1 11  -4  10 o 108.544 2.5195  1589.28   72.660    1369.15   103.440   1803.69   102.088   101.070 3.8210  116.018 3.2852  -14.94749      5.039098 
1 1 1 11  -4  11 o 273.938 5.2076  10086.49  382.090   10045.09  541.407   10127.57  539.313   273.374 7.3940  274.502 7.3351  -1.127899      10.41511 
1 1 1 11  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -4  13 o 323.515 6.1032  14126.22  528.733   13802.39  748.819   14448.19  746.669   319.785 8.7424  327.245 8.5186  -7.459839      12.20636 
1 1 1 11  -4  14 o 72.046  2.0042  695.788   38.646    697.557   55.788    694.155   53.586    72.133  2.8875  71.960  2.7802  0.1733398      4.008356 
1 1 1 11  -4  15 o 125.871 2.7316  2125.53   92.068    2194.11   131.697   2059.98   128.760   127.857 3.8456  123.885 3.8804  3.972153       5.463140 
1 1 1 11  -4  16 o 115.724 2.6160  1799.24   81.011    1749.17   116.021   1846.88   113.167   114.144 3.7948  117.303 3.6018  -3.158997      5.231993 
1 1 1 11  -4  17 o 20.895  1.9310  59.241    10.476    68.810    15.385    50.970    14.304    22.503  2.6004  19.286  2.8553  3.217150       3.861981 
1 1 1 11  -4  18 o 118.921 2.6564  1899.11   84.583    1914.34   121.474   1884.78   117.846   119.380 3.7989  118.463 3.7140  0.9172058      5.312797 
1 1 1 11  -4  19 o 189.529 3.7936  4841.02   192.566   4886.12   274.526   4797.32   270.186   190.394 5.3832  188.665 5.3467  1.729828       7.587212 
1 1 1 11  -4  20 o 126.288 2.7694  2141.39   93.629    2232.31   134.856   2056.78   130.094   128.874 3.9067  123.701 3.9264  5.172577       5.538880 
1 1 1 11  -4  21 o 96.673  2.4098  1256.04   62.297    1239.40   90.398    1271.09   85.971    96.054  3.5136  97.292  3.2990  -1.237427      4.819663 
1 1 1 11  -4  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -4  23 o 195.013 3.9271  5139.59   205.084   5136.73   292.933   5142.34   287.217   194.941 5.6102  195.084 5.4967  -0.1423340     7.854118 
1 1 1 11  -4  24 o 52.856  1.9813  370.476   27.675    456.299   41.730    303.097   36.975    58.299  2.6724  47.413  2.9258  10.88536       3.962623 
1 1 1 11  -4  25 o 138.486 2.9472  2582.17   109.077   2836.20   157.921   2350.41   150.839   145.010 4.0659  131.961 4.2675  13.04918       5.894332 
1 1 1 11  -4  26 o 217.809 4.3420  6482.58   253.271   6521.35   361.858   6445.36   354.611   218.415 6.1854  217.203 6.0953  1.212509       8.683997 
1 1 1 11  -4  27 o 8.7546  2.5877  1.4980    9.7869    4.8584    16.353    -0.3771   12.216    9.7456  3.9730  7.7637  3.3166  1.981940       5.175445 
1 1 1 11  -4  28 o 107.553 2.6076  1566.72   74.958    1581.99   109.892   1553.44   102.506   108.004 3.7987  107.102 3.5732  0.9019928      5.215218 
1 1 1 11  -4  29 o 101.258 2.5238  1390.26   68.293    1429.71   100.579   1356.51   93.023    102.550 3.6617  99.965  3.4742  2.585312       5.047580 
1 1 1 11  -4  30 o 17.885  2.7320  46.535    12.442    39.559    20.035    50.915    15.875    16.662  4.4174  19.109  3.2158  -2.447140      5.463967 
1 1 1 11  -4  31 o 22.926  3.1649  85.084    16.519    53.236    31.405    97.266    19.423    19.215  5.6953  26.638  2.7624  -7.423126      6.329832 
1 1 1 11  -4  32 o 24.042  2.7062  87.803    15.567    60.316    25.040    105.118   19.874    20.398  4.6821  27.685  2.7150  -7.287422      5.412349 
1 1 1 11  -4  33 o 36.706  2.2829  187.921   21.458    178.507   34.551    193.833   27.377    35.788  3.6558  37.623  2.7355  -1.835358      4.565892 
1 1 1 11  -4  34 o 18.518  2.7696  41.047    13.483    88.803    23.792    18.452    16.365    25.062  3.6516  11.974  4.1650  13.08761       5.539100 
1 1 1 11  -4  35 o 12.745  3.1071  21.938    12.575    16.245    22.397    24.559    15.197    12.375  4.7735  13.116  3.9788  -0.7404165     6.214244 
1 1 1 11  -4  36 f 12.223  3.0722  19.712    12.085    14.704    22.739    21.683    14.266    12.102  4.7687  12.344  3.8748  -0.2419033     6.144464 
1 1 1 11  -4  37 o 14.408  3.1892  24.208    13.614    51.800    24.504    11.889    16.373    18.268  4.9047  10.547  4.0778  7.720862       6.378394 
1 1 1 11  -4  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -4  39 o 41.404  2.5720  253.482   26.788    250.601   45.029    255.060   33.326    40.586  4.2031  42.222  2.9657  -1.636379      5.144031 
1 1 1 11  -4  40 o 10.174  3.0613  6.1494    13.118    10.977    25.508    4.4138    15.295    11.447  4.8375  8.9011  3.7528  2.546347       6.122540 
1 1 1 11  -4  41 o 19.349  3.4603  52.351    17.263    100.858   32.486    33.264    20.378    24.428  5.1283  14.269  4.6471  10.15881       6.920639 
1 1 1 11  -4  42 o 24.488  3.4988  103.864   20.541    96.387    36.950    107.208   24.711    22.512  6.0138  26.464  3.5780  -3.951998      6.997687 
1 1 1 11  -4  43 o 13.484  3.4381  12.685    16.208    71.342    32.016    -7.5286   18.795    18.914  5.7832  8.0540  3.7200  10.85959       6.876299 
1 1 1 11  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -3  3  o 233.556 6.2995  7314.75   394.084   7314.75   394.084   0.0000    0.0000    233.556 6.2995  ?       ?       ?              ?        
1 1 1 11  -3  4  o 294.802 5.5580  11669.38  438.514   11123.92  620.156   12214.83  620.150   287.894 8.0423  301.710 7.6739  -13.81552      11.11608 
1 1 1 11  -3  5  o 60.136  1.8502  489.046   29.192    605.373   41.778    378.073   40.806    67.227  2.3202  53.046  2.8828  14.18048       3.700489 
1 1 1 11  -3  6  o 340.984 6.3685  15617.74  581.609   15431.00  823.057   15803.99  821.982   338.941 9.0660  343.026 8.9463  -4.085175      12.73695 
1 1 1 11  -3  7  o 109.029 2.5234  1603.42   73.048    1368.00   103.774   1834.63   102.842   101.039 3.8345  117.019 3.2811  -15.97921      5.046723 
1 1 1 11  -3  8  f 220.662 4.2516  6531.08   251.240   6697.56   356.343   6366.52   354.281   223.462 5.9535  217.863 6.0712  5.599030       8.503201 
1 1 1 11  -3  9  f 381.639 7.1332  19605.39  728.941   19058.87  1031.54   20150.51  1030.22   376.298 10.234  386.980 9.9392  -10.68155      14.26648 
1 1 1 11  -3  10 o 361.665 6.7992  17616.32  658.303   16974.92  931.666   18255.84  930.297   355.052 9.7967  368.278 9.4310  -13.22571      13.59848 
1 1 1 11  -3  11 o 288.230 7.7641  11222.62  599.177   10878.88  847.901   11565.49  846.830   283.782 11.155  292.679 10.802  -8.896820      15.52818 
1 1 1 11  -3  12 f 217.324 5.0549  6276.60   278.239   6587.59   484.410   6123.49   339.904   221.145 8.1780  213.504 5.9438  7.641434       10.10979 
1 1 1 11  -3  13 o 222.343 4.3494  6651.65   258.855   6407.59   367.378   6892.28   364.790   218.271 6.2839  226.416 6.0151  -8.145035      8.698809 
1 1 1 11  -3  14 o 164.594 4.1848  3669.66   172.656   3573.38   301.192   3716.79   210.714   162.839 6.9055  166.349 4.7292  -3.509781      8.369673 
1 1 1 11  -3  15 o 254.646 5.9907  8772.37   384.412   8802.26   668.405   8757.60   469.902   254.499 9.8054  254.794 6.8854  -0.2947845     11.98143 
1 1 1 11  -3  16 o 284.860 6.6934  11064.61  479.691   10955.00  833.401   11118.92  586.604   283.037 10.993  286.682 7.6393  -3.645111      13.38687 
1 1 1 11  -3  17 f 147.676 3.9724  3010.41   145.477   2741.62   254.124   3141.45   177.427   142.472 6.6593  152.880 4.3329  -10.40889      7.944832 
1 1 1 11  -3  18 o 195.216 4.7758  5156.47   234.362   5140.50   408.839   5164.29   286.020   194.670 7.8409  195.762 5.4548  -1.092148      9.551654 
1 1 1 11  -3  19 o 182.538 3.7230  4494.57   181.842   4321.79   259.410   4661.50   254.974   179.054 5.4089  186.022 5.1173  -6.967514      7.446049 
1 1 1 11  -3  20 o 73.882  2.1509  736.717   42.314    680.791   61.714    786.332   58.128    71.210  3.2356  76.553  2.8349  -5.342842      4.301808 
1 1 1 11  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -3  22 o 121.912 2.7617  1998.62   90.100    1998.12   130.173   1999.08   124.835   121.887 3.9873  121.937 3.8222  -0.5041504E-01 5.523361 
1 1 1 11  -3  23 o 189.662 3.8756  4867.96   196.629   4663.05   280.980   5064.61   275.259   185.692 5.6493  193.632 5.3073  -7.940536      7.751259 
1 1 1 11  -3  24 o 134.635 3.0642  2460.30   109.750   2192.11   158.053   2710.04   152.516   127.437 4.6304  141.832 4.0147  -14.39523      6.128476 
1 1 1 11  -3  25 o 70.431  2.1418  663.544   40.272    711.469   60.016    624.291   54.316    72.727  3.0809  68.136  2.9762  4.591331       4.283669 
1 1 1 11  -3  26 o 164.513 3.4488  3674.35   151.886   3686.30   218.643   3663.20   211.151   164.735 4.9552  164.290 4.7984  0.4448853      6.897685 
1 1 1 11  -3  27 o 77.970  2.2028  811.786   45.753    935.947   68.490    711.727   61.484    83.308  3.0694  72.632  3.1605  10.67611       4.405636 
1 1 1 11  -3  28 o 160.931 3.4126  3542.52   147.014   3621.66   212.392   3469.72   203.699   162.619 4.8762  159.243 4.7757  3.375854       6.825259 
1 1 1 11  -3  29 o 79.648  2.2816  857.543   48.464    889.280   72.506    831.912   65.159    80.939  3.3444  78.358  3.1046  2.581589       4.563295 
1 1 1 11  -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -3  31 o 46.222  2.0939  286.913   25.453    321.446   40.071    263.556   32.955    48.480  3.1021  43.964  2.8134  4.516552       4.187863 
1 1 1 11  -3  32 o 43.257  2.1714  258.150   24.451    249.203   38.354    264.276   31.737    42.505  3.3972  44.010  2.7054  -1.505051      4.342862 
1 1 1 11  -3  33 o 56.396  2.2060  431.915   32.751    469.256   51.430    406.444   42.477    58.339  3.3049  54.454  2.9230  3.884720       4.412042 
1 1 1 11  -3  34 o 48.895  2.2801  336.808   28.766    304.403   45.288    358.726   37.245    46.654  3.6533  51.137  2.7291  -4.483078      4.560155 
1 1 1 11  -3  35 o 19.209  2.8912  48.828    14.052    77.909    24.245    34.118    17.244    23.173  4.0539  15.245  4.1235  7.927752       5.782476 
1 1 1 11  -3  36 o 9.4002  2.6855  3.3292    11.853    -24.4603  21.336    15.736    14.256    7.7896  3.7102  11.011  3.8835  -3.221253      5.370962 
1 1 1 11  -3  37 o 14.320  3.0408  17.887    13.220    61.573    25.315    1.5051    15.502    19.914  4.8019  8.7259  3.7322  11.18847       6.081688 
1 1 1 11  -3  38 f 43.466  3.0059  268.773   34.781    0.0000    0.0000    268.773   34.781    ?       ?       43.466  3.0059  ?              ?        
1 1 1 11  -3  39 o 9.3595  2.8833  2.8836    12.309    -4.8391   25.003    5.3542    14.142    9.8788  4.4571  8.8402  3.6589  1.038654       5.766567 
1 1 1 11  -3  40 o 8.5283  2.7184  -3.6549   12.772    -18.6533  23.789    2.4186    15.138    8.4813  4.0034  8.5753  3.6785  -0.9399605E-01 5.436797 
1 1 1 11  -3  41 o 43.519  2.7093  288.510   29.583    289.326   49.986    288.070   36.700    42.668  4.4388  44.371  3.1076  -1.703270      5.418502 
1 1 1 11  -3  42 o 28.097  3.4359  131.994   22.691    135.713   41.396    130.397   27.130    27.014  5.8874  29.181  3.5438  -2.167389      6.871704 
1 1 1 11  -3  43 f 13.915  3.5224  35.849    16.623    27.419    31.174    39.198    19.650    12.933  5.3991  14.896  4.5255  -1.963683      7.044838 
1 1 1 11  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -2  2  o 177.345 5.0167  4215.44   238.301   4215.44   238.301   0.0000    0.0000    177.345 5.0167  ?       ?       ?              ?        
1 1 1 11  -2  3  o 150.941 4.0994  3183.66   151.995   2716.31   265.132   3412.45   185.504   142.305 6.9559  159.577 4.3400  -17.27226      8.198783 
1 1 1 11  -2  4  o 312.824 5.8576  13135.74  490.783   12988.85  693.619   13283.02  694.527   311.069 8.3248  314.579 8.2427  -3.509857      11.71515 
1 1 1 11  -2  5  o 191.483 3.7311  4915.71   191.335   4998.03   270.241   4832.98   270.938   193.092 5.2251  189.874 5.3274  3.218597       7.462122 
1 1 1 11  -2  6  o 329.700 6.1541  14598.17  543.454   14466.54  768.022   14730.17  769.099   328.208 8.7365  331.192 8.6699  -2.984009      12.30824 
1 1 1 11  -2  7  f 292.085 5.4470  11452.45  426.126   11311.54  602.105   11593.85  603.161   290.281 7.7440  293.889 7.6623  -3.607300      10.89407 
1 1 1 11  -2  8  o 719.059 13.220  70302.55  2546.14   70278.19  3600.41   70326.93  3601.17   718.933 18.697  719.184 18.694  -0.2507935     26.43986 
1 1 1 11  -2  9  o 355.602 6.6249  17010.13  631.006   16986.01  891.994   17034.30  892.762   355.349 9.3717  355.855 9.3664  -0.5056458     13.24984 
1 1 1 11  -2  10 f 462.948 8.6241  28964.68  1069.34   28626.56  1511.66   29303.36  1512.91   460.221 12.263  465.676 12.129  -5.454559      17.24830 
1 1 1 11  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -2  12 o 138.830 2.9360  2585.38   109.170   2544.39   154.034   2626.75   154.747   137.723 4.1756  139.937 4.1286  -2.213928      5.872057 
1 1 1 11  -2  13 o 99.346  2.2858  1323.36   60.810    1285.02   85.665    1362.31   86.335    97.894  3.2671  100.797 3.1978  -2.903351      4.571600 
1 1 1 11  -2  14 o 214.103 4.1483  6168.62   237.877   6242.53   336.154   6094.49   336.665   215.394 5.8266  212.811 5.9063  2.583023       8.296582 
1 1 1 11  -2  15 o 275.668 5.2182  10266.28  385.301   10261.70  544.583   10270.88  545.213   275.607 7.3771  275.729 7.3824  -0.1216125     10.43650 
1 1 1 11  -2  16 o 129.164 2.7724  2240.76   95.867    2150.94   135.130   2331.78   136.029   126.551 3.9865  131.776 3.8539  -5.224846      5.544836 
1 1 1 11  -2  17 o 279.804 5.3515  10602.96  401.060   10514.22  566.784   10691.95  567.586   278.620 7.5948  280.987 7.5415  -2.367035      10.70302 
1 1 1 11  -2  18 o 140.663 3.0328  2660.90   114.222   2738.03   161.334   2583.40   161.736   142.716 4.2205  138.610 4.3563  4.105469       6.065504 
1 1 1 11  -2  19 o 56.844  1.8753  433.955   28.504    462.073   40.254    405.677   40.367    58.696  2.5604  54.991  2.7406  3.704357       3.750537 
1 1 1 11  -2  20 o 76.772  2.1150  791.373   43.466    820.926   61.363    761.615   61.576    78.214  2.9291  75.329  3.0518  2.884865       4.230052 
1 1 1 11  -2  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -2  22 o 190.764 3.8198  4913.13   195.170   4856.91   275.735   4969.57   276.290   189.663 5.4278  191.865 5.3763  -2.201706      7.639698 
1 1 1 11  -2  23 o 98.808  2.3376  1312.13   61.866    1310.51   87.324    1313.76   87.660    98.747  3.3016  98.869  3.3102  -0.1216202     4.675231 
1 1 1 11  -2  24 o 66.491  1.9865  593.892   35.373    580.630   49.771    607.428   50.284    65.740  2.8266  67.242  2.7919  -1.502518      3.972915 
1 1 1 11  -2  25 o 109.996 2.5067  1631.02   73.804    1557.33   104.082   1705.56   104.670   107.482 3.6154  112.509 3.4733  -5.027374      5.013460 
1 1 1 11  -2  26 o 123.415 2.7075  2058.83   89.501    2049.52   126.457   2068.18   126.689   123.134 3.8342  123.696 3.8238  -0.5622711     5.415020 
1 1 1 11  -2  27 o 75.208  2.0894  762.885   42.087    754.237   59.429    771.587   59.612    74.778  2.9671  75.638  2.9424  -0.8596573     4.178726 
1 1 1 11  -2  28 o 102.797 2.4669  1433.23   67.921    1423.19   96.061    1443.27   96.048    102.432 3.5012  103.162 3.4760  -0.7294540     4.933709 
1 1 1 11  -2  29 o 12.558  2.8129  20.449    10.277    24.951    17.226    17.961    12.806    13.545  4.2588  11.571  3.6759  1.974432       5.625784 
1 1 1 11  -2  30 o 48.754  2.6591  332.391   30.734    315.521   57.421    339.164   36.385    47.554  4.5642  49.955  2.7296  -2.400337      5.318148 
1 1 1 11  -2  31 o 42.753  2.1911  252.967   24.305    237.666   38.118    263.451   31.552    41.529  3.4582  43.976  2.6916  -2.446625      4.382249 
1 1 1 11  -2  32 o 33.042  2.2949  149.223   19.482    157.930   31.841    144.012   24.630    33.700  3.5824  32.384  2.8693  1.316479       4.589827 
1 1 1 11  -2  33 o 62.991  2.3037  547.446   38.168    541.812   59.185    551.456   49.941    62.512  3.5494  63.470  2.9376  -0.9581642     4.607340 
1 1 1 11  -2  34 o 38.955  2.2516  207.166   22.759    228.116   36.937    194.345   28.896    40.405  3.4460  37.506  2.8989  2.898762       4.503203 
1 1 1 11  -2  35 o 14.419  3.0362  31.481    12.729    20.792    22.008    36.854    15.604    12.959  4.7902  15.879  3.7319  -2.919878      6.072337 
1 1 1 11  -2  36 o 15.390  3.3230  34.141    13.986    39.093    26.019    32.128    16.586    16.088  5.2517  14.692  4.0731  1.396119       6.646086 
1 1 1 11  -2  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -2  38 o 11.591  2.9286  17.563    13.133    -9.2469   23.799    29.301    15.748    9.3376  4.2660  13.844  4.0134  -4.506835      5.857154 
1 1 1 11  -2  39 o 16.463  3.4491  44.910    15.841    40.187    28.706    46.978    18.995    15.612  5.5103  17.315  4.1499  -1.702939      6.898176 
1 1 1 11  -2  40 o 28.721  3.4421  145.208   22.508    102.720   39.504    165.631   27.388    23.698  6.1650  33.744  3.0637  -10.04592      6.884282 
1 1 1 11  -2  41 o 7.6049  2.5663  -15.0159  12.980    -30.2119  26.329    -10.1376  14.918    8.2022  3.9616  7.0077  3.2633  1.194409       5.132561 
1 1 1 11  -2  42 o 10.796  3.2160  12.258    15.595    -7.4783   31.928    18.442    17.872    10.329  4.7980  11.262  4.2838  -0.9333372     6.432025 
1 1 1 11  -2  43 o 12.489  3.5949  23.423    17.079    38.942    33.095    17.790    19.940    13.962  5.6672  11.017  4.4244  2.945177       7.189738 
1 1 1 11  -1  0  o 438.645 10.410  26586.77  1136.67   27816.67  1391.94   24124.94  1969.30   454.831 11.426  422.458 17.404  32.37299       20.81902 
1 1 1 11  -1  1  o 171.480 4.5282  4109.41   190.655   4402.60   232.577   3508.75   332.895   181.247 4.7908  161.714 7.6855  19.53288       9.056402 
1 1 1 11  -1  2  o 656.074 12.083  58179.46  2123.24   58734.17  3002.66   57624.71  3002.76   659.231 17.005  652.917 17.170  6.313660       24.16582 
1 1 1 11  -1  3  o 309.711 5.8416  12875.50  484.536   12651.31  685.171   13099.78  685.303   307.009 8.3322  312.414 8.1896  -5.406006      11.68310 
1 1 1 11  -1  4  o 170.768 3.3572  3908.44   153.553   3940.99   217.275   3875.95   217.040   171.479 4.7305  170.057 4.7649  1.421799       6.714350 
1 1 1 11  -1  5  o 367.707 6.8793  18167.92  677.536   18120.21  958.050   18215.66  958.310   367.223 9.7402  368.191 9.7172  -0.9688416     13.75853 
1 1 1 11  -1  6  o 328.887 6.1865  14527.93  544.965   14411.71  770.425   14644.32  770.971   327.567 8.7809  330.207 8.7169  -2.639923      12.37293 
1 1 1 11  -1  7  o 315.333 5.9161  13355.10  499.677   13291.78  706.393   13418.51  706.907   314.583 8.3834  316.083 8.3497  -1.499756      11.83216 
1 1 1 11  -1  8  o 193.365 3.7633  5014.51   194.870   4889.86   275.231   5139.81   275.946   190.953 5.3812  195.778 5.2622  -4.825439      7.526552 
1 1 1 11  -1  9  o 246.215 4.6958  8139.31   309.621   7950.05   437.453   8329.29   438.288   243.341 6.7116  249.090 6.5692  -5.749481      9.391521 
1 1 1 11  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -1  11 o 152.418 3.1732  3116.76   129.535   3160.79   183.009   3072.55   183.372   153.499 4.4512  151.337 4.5237  2.161972       6.346442 
1 1 1 11  -1  12 o 114.280 2.5385  1751.48   77.698    1769.87   109.714   1732.98   110.049   114.882 3.5655  113.677 3.6143  1.205429       5.077002 
1 1 1 11  -1  13 o 153.653 3.1271  3169.67   128.699   3150.89   181.790   3188.54   182.226   153.196 4.4303  154.110 4.4146  -0.9139709     6.254281 
1 1 1 11  -1  14 o 266.674 5.0935  9597.25   363.821   9561.09   514.286   9633.47   514.757   266.169 7.2137  267.180 7.1930  -1.011505      10.18707 
1 1 1 11  -1  15 o 90.158  2.1791  1090.53   52.595    1045.24   74.151    1136.39   74.611    88.271  3.1363  92.045  3.0263  -3.773849      4.358276 
1 1 1 11  -1  16 o 229.081 4.4734  7080.12   274.483   7092.46   387.959   7067.76   388.396   229.283 6.3172  228.878 6.3355  0.4043884      8.946822 
1 1 1 11  -1  17 o 74.203  2.0169  738.578   40.086    733.321   56.460    743.921   56.922    73.937  2.8510  74.470  2.8537  -0.5323334     4.033834 
1 1 1 11  -1  18 o 106.468 2.4289  1521.90   69.263    1500.76   97.697    1543.26   98.212    105.724 3.4500  107.213 3.4200  -1.488869      4.857879 
1 1 1 11  -1  19 o 76.216  2.0953  779.655   42.765    793.875   60.279    765.245   60.680    76.918  2.9258  75.515  3.0000  1.403412       4.190555 
1 1 1 11  -1  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -1  21 o 180.536 3.7146  4396.39   179.604   4473.07   253.841   4319.52   254.155   182.125 5.2036  178.948 5.3025  3.177109       7.429286 
1 1 1 11  -1  22 o 158.497 3.2043  3384.67   136.018   3321.41   192.067   3448.32   192.652   157.003 4.5673  159.990 4.4956  -2.986572      6.408631 
1 1 1 11  -1  23 o 132.225 2.8304  2355.71   100.181   2449.60   141.582   2261.56   141.772   134.880 3.9190  129.570 4.0850  5.310272       5.660897 
1 1 1 11  -1  24 o 182.065 3.5949  4490.17   175.290   4409.29   247.595   4571.44   248.200   180.405 5.1239  183.725 5.0436  -3.319962      7.189783 
1 1 1 11  -1  25 o 46.076  1.9464  286.405   23.887    269.608   33.419    303.951   34.157    44.683  2.8065  47.469  2.6976  -2.785038      3.892761 
1 1 1 11  -1  26 o 89.608  2.2651  1083.20   54.363    1088.67   76.606    1077.65   77.159    89.840  3.1835  89.376  3.2231  0.4640884      4.530234 
1 1 1 11  -1  27 o 50.683  1.9260  347.338   26.046    349.591   36.598    345.025   37.074    50.855  2.6965  50.511  2.7507  0.3437119      3.851904 
1 1 1 11  -1  28 o 56.846  1.9660  436.552   29.931    428.040   42.029    445.312   42.634    56.282  2.7880  57.410  2.7726  -1.127144      3.931913 
1 1 1 11  -1  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  -1  30 o 21.786  2.1752  65.794    12.340    65.800    17.421    65.788    17.481    21.788  3.0702  21.784  3.0821  0.4636765E-02  4.350335 
1 1 1 11  -1  31 o 39.858  1.9461  217.051   20.577    195.468   28.840    239.431   29.368    37.796  2.8703  41.920  2.6289  -4.124191      3.892243 
1 1 1 11  -1  32 o 14.263  2.6679  29.157    10.361    30.857    14.523    27.396    14.785    14.671  3.6972  13.856  3.8471  0.8150864      5.335722 
1 1 1 11  -1  33 o 49.346  2.5537  318.845   30.545    390.676   58.612    292.062   35.790    52.613  4.1939  46.079  2.9148  6.533699       5.107353 
1 1 1 11  -1  34 o 17.867  2.9729  40.447    13.899    74.421    24.376    24.082    16.918    22.621  4.1771  13.112  4.2314  9.508116       5.945866 
1 1 1 11  -1  35 f 13.569  2.9942  15.251    12.903    52.651    23.651    -0.5974   15.396    18.651  4.7279  8.4863  3.6753  10.16504       5.988388 
1 1 1 11  -1  36 o 14.521  3.3164  32.202    14.752    20.909    26.420    37.318    17.782    13.300  5.1693  15.743  4.1560  -2.443465      6.632800 
1 1 1 11  -1  37 o 11.351  4.0832  17.208    15.834    0.0000    0.0000    17.208    15.834    ?       ?       11.351  4.0832  ?              ?        
1 1 1 11  -1  38 o 13.098  2.6702  24.003    14.354    -36.3427  26.283    49.652    17.135    8.0343  3.8994  18.163  3.6489  -10.12822      5.340393 
1 1 1 11  -1  39 o 19.779  3.5218  60.349    17.442    78.017    32.109    52.953    20.775    21.273  5.5697  18.285  4.3118  2.987284       7.043649 
1 1 1 11  -1  40 o 12.298  3.4166  17.008    14.675    31.641    29.193    12.060    16.976    14.238  5.4606  10.358  4.1079  3.879900       6.833264 
1 1 1 11  -1  41 o 24.343  3.3843  82.699    20.351    165.867   37.911    49.031    24.121    31.897  4.5678  16.789  4.9948  15.10862       6.768505 
1 1 1 11  -1  42 o 10.629  3.2707  4.6367    14.486    27.945    31.192    -1.7725   16.357    13.151  5.4378  8.1073  3.6359  5.043559       6.541306 
1 1 1 11  0   0  o 233.634 4.5013  7319.66   281.664   7419.31   398.437   7220.11   398.228   235.225 6.3239  232.042 6.4073  3.183105       9.002524 
1 1 1 11  0   1  o 271.551 5.1973  9892.28   378.021   9854.16   534.290   9930.49   534.916   271.027 7.3600  272.076 7.3402  -1.048828      10.39457 
1 1 1 11  0   2  o 231.880 4.4385  7209.94   275.671   7178.56   389.468   7241.44   390.250   231.374 6.2844  232.386 6.2697  -1.011734      8.877097 
1 1 1 11  0   3  o 105.437 2.3875  1489.38   67.426    1498.08   95.403    1480.70   95.307    105.744 3.3683  105.129 3.3846  0.6155319      4.775095 
1 1 1 11  0   4  o 221.979 4.2756  6607.63   254.195   6711.24   359.758   6504.33   359.214   223.719 6.0037  220.239 6.0893  3.479584       8.551269 
1 1 1 11  0   5  o 237.347 4.5424  7555.83   288.774   7533.00   408.479   7578.63   408.297   236.988 6.4351  237.706 6.4128  -0.7180023     9.084836 
1 1 1 11  0   6  f 343.918 6.4582  15893.44  594.893   15716.13  841.149   16070.87  841.463   341.993 9.1826  345.844 9.0838  -3.850525      12.91647 
1 1 1 11  0   7  o 241.571 4.6676  7830.90   301.989   7946.98   427.088   7714.83   427.065   243.365 6.5519  239.777 6.6496  3.587814       9.335168 
1 1 1 11  0   8  o 276.650 5.2320  10281.54  387.519   9916.81   547.617   10647.38  548.454   271.721 7.5243  281.579 7.2720  -9.857971      10.46405 
1 1 1 11  0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  0   10 o 157.666 3.2096  3334.75   135.528   3388.24   191.546   3281.14   191.787   158.934 4.4995  156.398 4.5783  2.536499       6.419192 
1 1 1 11  0   11 o 234.220 4.5119  7375.67   283.057   7380.73   400.084   7370.60   400.524   234.301 6.3751  234.139 6.3865  0.1624298      9.023849 
1 1 1 11  0   12 o 217.289 4.2238  6349.63   245.818   6289.42   347.337   6410.05   347.941   216.253 5.9965  218.324 5.9500  -2.071121      8.447512 
1 1 1 11  0   13 o 174.857 3.5529  4108.96   166.400   4089.79   235.068   4128.22   235.583   174.447 5.0308  175.267 5.0183  -0.8192444     7.105802 
1 1 1 11  0   14 o 217.553 4.2584  6374.97   248.143   6347.28   350.662   6402.74   351.194   217.078 6.0309  218.028 6.0137  -0.9499512     8.516865 
1 1 1 11  0   15 o 29.676  1.7325  119.212   13.601    127.947   19.050    110.128   19.426    30.807  2.3257  28.544  2.5684  2.262615       3.464911 
1 1 1 11  0   16 o 76.209  2.0316  779.010   41.469    770.428   58.470    787.694   58.823    75.787  2.8804  76.632  2.8658  -0.8451233     4.063184 
1 1 1 11  0   17 o 50.934  1.7908  348.474   24.340    322.116   34.164    375.641   34.685    48.939  2.6158  52.929  2.4466  -3.989624      3.581642 
1 1 1 11  0   18 o 184.211 3.6467  4570.84   179.924   4604.82   254.318   4536.79   254.583   184.901 5.1351  183.521 5.1791  1.379944       7.293331 
1 1 1 11  0   19 o 126.256 3.9768  2157.50   133.995   2275.54   185.295   2028.10   193.999   129.935 5.3241  122.577 5.9088  7.357979       7.953633 
1 1 1 11  0   20 o 153.368 3.1840  3165.55   130.792   3133.71   184.777   3197.53   185.161   152.592 4.5209  154.144 4.4847  -1.552200      6.367982 
1 1 1 11  0   21 o 156.487 3.1982  3297.71   134.048   3257.68   189.360   3337.92   189.786   155.531 4.5455  157.443 4.5004  -1.912216      6.396497 
1 1 1 11  0   22 o 74.441  2.1091  745.443   41.954    803.711   59.292    687.017   59.373    77.367  2.8612  71.514  3.0996  5.852867       4.218297 
1 1 1 11  0   23 o 210.029 4.1111  5986.29   231.265   6045.44   326.931   5927.04   327.185   211.082 5.7825  208.975 5.8453  2.106964       8.222239 
1 1 1 11  0   24 o 79.548  2.1637  851.525   46.094    866.337   65.010    836.550   65.365    80.248  3.0245  78.848  3.0950  1.400009       4.327429 
1 1 1 11  0   25 o 31.869  1.9235  137.650   16.258    138.971   22.815    136.286   23.172    32.030  2.6841  31.707  2.7559  0.3229179      3.846959 
1 1 1 11  0   26 o 42.413  1.8628  243.289   21.004    222.316   29.476    264.925   29.939    40.533  2.7309  44.292  2.5341  -3.759354      3.725527 
1 1 1 11  0   27 o 88.798  2.3065  1067.43   54.858    1059.85   77.350    1075.09   77.815    88.481  3.2638  89.116  3.2600  -0.6348419     4.613020 
1 1 1 11  0   28 o 44.835  3.4729  274.920   41.381    274.920   41.381    0.0000    0.0000    44.835  3.4729  ?       ?       ?              ?        
1 1 1 11  0   29 o 71.046  2.1004  685.177   39.968    680.983   56.294    689.440   56.756    70.827  2.9674  71.264  2.9734  -0.4365540     4.200767 
1 1 1 11  0   30 o 28.644  2.0178  112.485   15.237    102.922   21.260    122.584   21.847    27.358  2.9479  29.929  2.7562  -2.570883      4.035697 
1 1 1 11  0   31 o 19.918  2.3658  55.727    12.172    55.029    17.036    56.455    17.398    19.791  3.3321  20.045  3.3593  -0.2535362     4.731565 
1 1 1 11  0   32 o 20.761  2.3489  60.771    12.551    52.746    17.617    69.043    17.886    19.271  3.5436  22.250  3.0842  -2.978922      4.697783 
1 1 1 11  0   33 o 41.176  1.9725  233.254   21.623    227.970   30.364    238.691   30.800    40.696  2.8027  41.656  2.7764  -0.9604187     3.945066 
1 1 1 11  0   34 o 47.083  2.0414  307.231   25.558    331.363   36.223    283.305   36.067    48.992  2.7717  45.174  2.9979  3.818710       4.082834 
1 1 1 11  0   35 o 30.245  2.1516  128.630   17.190    132.035   24.403    125.277   24.218    30.661  3.0103  29.829  3.0752  0.8317451      4.303299 
1 1 1 11  0   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  0   37 o 8.2275  2.5762  -3.7929   11.645    -30.7626  22.673    5.8718    13.573    7.5923  3.6693  8.8628  3.6170  -1.270478      5.152359 
1 1 1 11  0   38 o 10.222  3.0703  5.7971    12.969    10.444    25.880    4.2392    14.986    11.575  4.8810  8.8697  3.7259  2.705151       6.140553 
1 1 1 11  0   39 o 23.299  3.3861  86.526    18.662    90.610    35.169    84.926    22.017    22.774  5.7613  23.824  3.5595  -1.050098      6.772151 
1 1 1 11  0   40 o 26.336  3.3314  107.458   20.943    128.294   38.709    98.835    24.903    27.257  5.4920  25.416  3.7726  1.840523       6.662891 
1 1 1 11  0   41 o 10.970  3.3173  9.7971    15.216    18.773    30.693    6.8722    17.521    12.438  5.2839  9.5028  4.0122  2.935173       6.634525 
1 1 1 11  1   0  o 360.548 6.7212  17459.00  649.060   17613.18  917.765   17304.71  918.054   362.145 9.4615  358.950 9.5487  3.194489       13.44239 
1 1 1 11  1   1  o 404.362 7.5113  21976.67  813.534   22026.75  1150.13   21926.52  1150.90   404.826 10.607  403.899 10.638  0.9264526      15.02267 
1 1 1 11  1   2  o 469.673 8.6456  29687.77  1087.61   29538.97  1537.62   29836.76  1538.61   468.491 12.253  470.856 12.200  -2.365631      17.29111 
1 1 1 11  1   3  o 197.926 3.8412  5251.71   203.636   5248.88   288.046   5254.54   287.924   197.872 5.4349  197.979 5.4296  -0.1069031     7.682350 
1 1 1 11  1   4  o 201.725 3.9455  5455.95   213.174   5510.60   301.701   5401.46   301.246   202.734 5.5560  200.715 5.6034  2.019608       7.890954 
1 1 1 11  1   5  o 330.826 6.1735  14701.22  547.033   14787.38  773.835   14615.16  773.409   331.797 8.7074  329.854 8.7538  1.942993       12.34698 
1 1 1 11  1   6  o 218.646 4.2846  6412.60   250.924   6445.52   355.022   6379.74   354.698   219.207 6.0466  218.084 6.0722  1.122803       8.569296 
1 1 1 11  1   7  f 97.491  2.2537  1273.58   58.847    1290.04   83.258    1257.15   83.186    98.121  3.1679  96.862  3.2063  1.259239       4.507355 
1 1 1 11  1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  1   9  o 93.683  2.2433  1176.40   56.281    1198.47   79.531    1154.25   79.657    94.564  3.1399  92.802  3.2046  1.762451       4.486518 
1 1 1 11  1   10 o 163.492 3.3043  3586.83   144.699   3576.31   204.515   3597.38   204.757   163.251 4.6771  163.732 4.6689  -0.4808350     6.608655 
1 1 1 11  1   11 o 181.841 3.5873  4441.13   174.715   4484.96   247.011   4397.26   247.159   182.742 5.0465  180.941 5.0998  1.800766       7.174587 
1 1 1 11  1   12 o 162.490 3.2892  3546.03   143.153   3563.42   202.318   3528.60   202.581   162.890 4.6371  162.090 4.6661  0.8006744      6.578415 
1 1 1 11  1   13 o 129.124 2.7820  2238.16   96.213    2208.22   135.859   2268.27   136.272   128.257 3.9548  129.992 3.9138  -1.735168      5.564011 
1 1 1 11  1   14 o 262.202 5.0332  9285.48   353.480   9223.43   499.623   9347.67   500.170   261.318 7.1381  263.085 7.0980  -1.766663      10.06646 
1 1 1 11  1   15 o 65.564  1.9313  576.901   33.889    599.983   47.734    553.443   48.121    66.890  2.6643  64.239  2.7967  2.650887       3.862652 
1 1 1 11  1   16 o 197.633 3.8577  5261.60   204.209   5244.71   288.499   5278.55   289.092   197.315 5.4588  197.952 5.4524  -0.6368408     7.715355 
1 1 1 11  1   17 o 129.961 2.7567  2269.14   95.951    2225.67   135.354   2313.04   136.038   128.707 3.9263  131.215 3.8707  -2.508057      5.513420 
1 1 1 11  1   18 o 189.655 3.8316  4848.34   194.622   4919.52   275.068   4776.98   275.406   191.059 5.3751  188.251 5.4619  2.807327       7.663162 
1 1 1 11  1   19 f 91.294  4.4594  1121.31   109.047   0.0000    0.0000    1121.31   109.047   ?       ?       91.294  4.4594  ?              ?        
1 1 1 11  1   20 o 88.790  2.2511  1058.55   53.535    1062.29   75.475    1054.76   75.949    88.949  3.1679  88.631  3.1992  0.3177948      4.502285 
1 1 1 11  1   21 o 84.946  2.1765  969.009   49.518    952.609   69.809    985.617   70.250    84.221  3.0946  85.671  3.0615  -1.449265      4.353038 
1 1 1 11  1   22 o 161.204 3.3356  3507.73   144.024   3516.38   203.451   3499.03   203.912   161.406 4.7060  161.001 4.7285  0.4048462      6.671224 
1 1 1 11  1   23 o 134.383 2.9065  2436.68   104.612   2406.48   147.681   2467.10   148.207   133.542 4.1287  135.223 4.0919  -1.680756      5.812952 
1 1 1 11  1   24 o 66.688  2.0712  598.999   36.952    630.890   52.158    566.863   52.359    68.481  2.8436  64.895  3.0122  3.585716       4.142406 
1 1 1 11  1   25 o 106.913 2.5323  1544.83   72.512    1558.80   102.353   1530.76   102.744   107.404 3.5579  106.422 3.6044  0.9827805      5.064618 
1 1 1 11  1   26 o 85.394  2.2290  985.592   50.972    1005.35   71.932    965.667   72.239    86.263  3.1132  84.525  3.1908  1.738136       4.457912 
1 1 1 11  1   27 o 26.963  1.9801  99.252    14.073    93.085    19.722    105.650   20.087    26.088  2.8699  27.838  2.7290  -1.750265      3.960272 
1 1 1 11  1   28 o 24.675  3.8348  85.063    24.522    0.0000    0.0000    85.063    24.522    ?       ?       24.675  3.8348  ?              ?        
1 1 1 11  1   29 o 49.003  1.9538  326.759   25.531    332.638   35.875    320.727   36.342    49.463  2.7183  48.543  2.8071  0.9203949      3.907543 
1 1 1 11  1   30 o 46.222  1.9776  291.956   24.312    311.243   34.188    272.225   34.580    47.809  2.6806  44.636  2.9082  3.173119       3.955148 
1 1 1 11  1   31 o 69.457  2.1313  659.715   39.608    692.911   55.933    626.328   56.094    71.248  2.9309  67.665  3.0950  3.583054       4.262594 
1 1 1 11  1   32 o 22.012  2.3213  68.168    13.240    72.564    18.676    63.727    18.774    22.780  3.1447  21.243  3.4152  1.537550       4.642501 
1 1 1 11  1   33 o 44.865  2.0345  278.179   24.270    298.012   34.353    258.417   34.292    46.518  2.7697  43.212  2.9810  3.306278       4.069077 
1 1 1 11  1   34 o 16.445  2.7856  40.261    12.491    25.654    17.731    54.654    17.600    13.414  4.3322  19.476  3.5028  -6.061257      5.571120 
1 1 1 11  1   35 o 42.026  2.8802  247.022   32.226    247.022   32.226    0.0000    0.0000    42.026  2.8802  ?       ?       ?              ?        
1 1 1 11  1   36 o 18.874  2.6885  53.268    13.119    59.913    18.667    46.782    18.442    20.166  3.5874  17.582  4.0054  2.583679       5.377042 
1 1 1 11  1   37 o 21.421  2.6122  68.471    14.444    66.481    20.256    70.530    20.602    21.081  3.7234  21.761  3.6649  -0.6796436     5.224468 
1 1 1 11  1   38 o 10.445  2.8177  13.105    11.030    16.286    15.533    9.8690    15.667    11.011  4.0318  9.8793  3.9375  1.131993       5.635498 
1 1 1 11  1   39 o 6.8740  2.4243  -26.8024  10.910    -18.8666  26.248    -28.4598  11.995    8.9716  4.2259  4.7764  2.3771  4.195227       4.848565 
1 1 1 11  1   40 f 18.422  3.7738  55.698    18.168    73.426    34.595    48.947    21.349    19.691  6.0097  17.153  4.5661  2.538750       7.547573 
1 1 1 11  1   41 o 19.490  3.5041  78.097    19.648    39.966    37.030    93.038    23.180    14.625  5.9722  24.356  3.6669  -9.731593      7.008103 
1 1 1 11  2   0  o 366.944 6.8762  18087.87  675.806   17908.80  955.203   18267.33  956.266   365.121 9.7672  368.767 9.6814  -3.646576      13.75237 
1 1 1 11  2   1  o 403.541 7.4910  21892.69  809.550   22345.86  1144.68   21439.21  1145.08   407.735 10.481  399.347 10.705  8.388580       14.98196 
1 1 1 11  2   2  o 399.000 7.4047  21402.82  791.270   21032.79  1118.39   21773.69  1119.66   395.534 10.557  402.465 10.386  -6.930939      14.80942 
1 1 1 11  2   3  o 357.728 6.7105  17194.80  642.970   17076.30  909.151   17313.37  909.442   356.491 9.5213  358.965 9.4588  -2.473846      13.42103 
1 1 1 11  2   4  o 393.482 7.2747  20823.09  766.633   20495.88  1084.17   21150.31  1084.20   390.377 10.369  396.586 10.207  -6.209412      14.54940 
1 1 1 11  2   5  o 59.316  1.8143  471.361   28.824    468.700   40.888    473.989   40.639    59.150  2.5808  59.483  2.5507  -0.3329544     3.628587 
1 1 1 11  2   6  o 271.167 5.2047  9876.66   377.879   10206.29  534.789   9547.98   534.015   275.698 7.2420  266.635 7.4773  9.062561       10.40948 
1 1 1 11  2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  2   8  f 274.400 5.2353  10123.99  384.782   10171.73  544.237   10076.28  544.091   275.049 7.3873  273.751 7.4204  1.298401       10.47067 
1 1 1 11  2   9  o 256.552 4.9699  8853.58   341.503   8953.19   482.983   8753.98   482.934   258.002 6.9891  255.103 7.0678  2.898895       9.939862 
1 1 1 11  2   10 o 85.471  2.1373  979.536   48.906    941.589   69.024    1017.79   69.305    83.807  3.0749  87.135  2.9695  -3.328285      4.274671 
1 1 1 11  2   11 o 195.998 3.8646  5164.15   202.883   5183.57   286.788   5144.69   287.052   196.369 5.4526  195.628 5.4783  0.7412109      7.729266 
1 1 1 11  2   12 o 65.990  1.9261  583.918   34.038    596.824   48.102    570.974   48.171    66.721  2.6916  65.259  2.7559  1.462570       3.852209 
1 1 1 11  2   13 o 28.737  1.6907  111.829   12.828    99.537    18.155    124.083   18.128    27.131  2.5274  30.343  2.2464  -3.212187      3.381398 
1 1 1 11  2   14 o 144.573 3.0586  2808.65   118.430   2847.38   167.369   2769.81   167.600   145.575 4.2924  143.572 4.3583  2.003601       6.117146 
1 1 1 11  2   15 o 86.630  2.1793  1006.93   50.560    981.780   71.324    1032.33   71.682    85.542  3.1129  87.719  3.0509  -2.177719      4.358693 
1 1 1 11  2   16 o 170.461 3.4602  3910.33   157.980   3932.37   223.215   3888.21   223.621   170.945 4.8750  169.977 4.9117  0.9687195      6.920331 
1 1 1 11  2   17 o 90.590  2.2520  1101.35   54.632    1071.67   76.918    1131.57   77.609    89.357  3.2137  91.824  3.1555  -2.466728      4.503932 
1 1 1 11  2   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  2   19 f 66.781  2.0009  598.374   35.790    591.608   50.379    605.268   50.853    66.400  2.8326  67.163  2.8269  -0.7624207     4.001873 
1 1 1 11  2   20 o 55.292  1.8926  410.242   28.029    410.417   39.485    410.065   39.794    55.305  2.6655  55.280  2.6876  0.2457809E-01  3.785232 
1 1 1 11  2   21 o 68.975  2.0321  639.349   37.503    671.322   52.966    607.202   53.110    70.710  2.7966  67.239  2.9489  3.471169       4.064110 
1 1 1 11  2   22 o 82.261  2.1981  909.761   48.430    896.943   68.189    922.806   68.794    81.676  3.1170  82.847  3.1002  -1.170914      4.396218 
1 1 1 11  2   23 o 78.466  2.1399  828.487   44.970    835.631   63.315    821.215   63.883    78.811  2.9994  78.121  3.0530  0.6892090      4.279829 
1 1 1 11  2   24 o 72.982  2.1089  717.807   41.199    742.868   58.074    692.415   58.457    74.274  2.9192  71.690  3.0443  2.583702       4.217715 
1 1 1 11  2   25 o 65.085  2.0081  571.030   34.999    553.953   49.249    588.454   49.747    64.098  2.8686  66.073  2.8110  -1.974747      4.016232 
1 1 1 11  2   26 o 97.143  2.4009  1278.99   62.469    1273.00   88.047    1285.06   88.645    96.915  3.3918  97.371  3.3989  -0.4554291     4.801765 
1 1 1 11  2   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  2   28 o 38.165  1.9184  198.228   19.472    189.599   27.369    207.071   27.709    37.310  2.7583  39.021  2.6672  -1.710571      3.836879 
1 1 1 11  2   29 o 19.460  2.3942  53.197    11.987    46.476    16.769    60.220    17.142    18.125  3.5812  20.794  3.1787  -2.669521      4.788438 
1 1 1 11  2   30 o 58.148  2.0259  460.434   31.550    457.891   44.303    463.050   44.940    57.989  2.8523  58.306  2.8776  -0.3172302     4.051726 
1 1 1 11  2   31 o 27.192  2.1817  103.212   15.414    119.085   21.744    87.178    21.854    29.416  2.7932  24.969  3.3523  4.446251       4.363486 
1 1 1 11  2   32 o 6.8092  2.1343  -7.6163   8.2728    3.4326    11.914    -17.9028  11.496    8.2038  3.3731  5.4145  2.6158  2.789229       4.268548 
1 1 1 11  2   33 o 48.923  2.0510  331.306   26.752    333.714   37.647    328.850   38.021    49.117  2.8742  48.728  2.9266  0.3887024      4.101940 
1 1 1 11  2   34 o 6.1787  2.0385  -14.1705  8.7209    -25.9237  12.521    -3.0977   12.153    5.1633  2.5442  7.1942  3.1857  -2.030922      4.076958 
1 1 1 11  2   35 o 33.053  3.1467  155.162   27.522    0.0000    0.0000    155.162   27.522    ?       ?       33.053  3.1467  ?              ?        
1 1 1 11  2   36 o 14.681  2.8105  32.322    12.022    47.364    17.217    18.013    16.793    17.771  3.7357  11.591  4.2000  6.180162       5.620980 
1 1 1 11  2   37 o 40.279  2.1503  232.878   22.962    247.830   32.205    217.416   32.748    41.721  2.8999  38.838  3.1758  2.882759       4.300639 
1 1 1 11  2   38 o 11.155  2.7568  13.782    11.515    -2.1027   16.011    30.802    16.573    8.2477  3.6542  14.062  4.1289  -5.814114      5.513674 
1 1 1 11  2   39 o 27.948  2.5068  116.965   18.198    101.082   25.159    134.397   26.356    25.764  3.7562  30.133  3.3206  -4.369061      5.013590 
1 1 1 11  2   40 o 27.411  2.5517  115.457   18.246    108.508   25.675    122.547   25.936    26.458  3.7261  28.365  3.4872  -1.906588      5.103419 
1 1 1 11  3   0  o 164.623 3.2666  3632.21   144.021   3556.73   203.267   3708.29   204.087   162.905 4.6585  166.342 4.5806  -3.436783      6.533269 
1 1 1 11  3   1  o 316.825 5.9089  13477.34  501.372   13217.29  708.296   13738.49  709.801   313.755 8.4282  319.896 8.2840  -6.140106      11.81774 
1 1 1 11  3   2  o 368.840 6.9186  18286.00  683.488   18461.81  966.323   18109.98  966.872   370.621 9.7343  367.059 9.8343  3.561951       13.83725 
1 1 1 11  3   3  o 201.372 3.9570  5437.70   213.424   5400.91   301.757   5474.52   301.897   200.690 5.6136  202.054 5.5783  -1.364639      7.913919 
1 1 1 11  3   4  o 142.682 2.9754  2728.66   113.709   2751.75   160.947   2705.65   160.671   143.286 4.1937  142.079 4.2220  1.206223       5.950794 
1 1 1 11  3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  3   6  o 48.703  2.5437  323.352   32.533    285.832   47.925    355.416   44.304    46.009  3.9265  51.397  3.2347  -5.388313      5.087349 
1 1 1 11  3   7  o 465.330 8.6349  29316.78  1076.22   29148.24  1521.97   29485.34  1522.04   463.977 12.247  466.682 12.176  -2.704285      17.26980 
1 1 1 11  3   8  o 178.361 3.5805  4270.21   171.053   4284.74   241.979   4255.69   241.831   178.665 5.0565  178.057 5.0706  0.6077576      7.160974 
1 1 1 11  3   9  o 33.110  1.6491  147.626   14.531    149.223   20.603    146.046   20.497    33.289  2.3253  32.930  2.3390  0.3589363      3.298159 
1 1 1 11  3   10 o 381.934 7.1738  19785.37  733.883   19853.56  1037.88   19717.19  1037.86   382.600 10.128  381.267 10.163  1.332977       14.34767 
1 1 1 11  3   11 o 38.453  1.6798  199.024   17.205    206.690   24.311    191.331   24.353    39.201  2.3257  37.704  2.4243  1.497440       3.359501 
1 1 1 11  3   12 o 121.530 2.6505  1982.38   86.276    1964.88   121.840   1999.99   122.186   120.991 3.7596  122.069 3.7370  -1.078026      5.300954 
1 1 1 11  3   13 o 76.305  2.0372  780.936   41.627    759.811   58.737    802.253   59.003    75.267  2.9135  77.343  2.8482  -2.076118      4.074362 
1 1 1 11  3   14 o 101.577 2.4072  1384.80   65.485    1356.89   92.403    1412.97   92.817    100.547 3.4310  102.607 3.3772  -2.060349      4.814322 
1 1 1 11  3   15 o 174.731 3.5254  4108.84   164.994   4123.58   233.127   4094.04   233.547   175.048 4.9722  174.415 4.9992  0.6327057      7.050878 
1 1 1 11  3   16 o 86.782  2.2187  1011.02   51.548    1043.61   72.765    978.183   73.035    88.189  3.0805  85.374  3.1939  2.815353       4.437351 
1 1 1 11  3   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  3   18 o 123.014 2.6969  2033.40   88.861    2033.18   125.412   2033.63   125.925   123.008 3.8064  123.020 3.8216  -0.1203156E-01 5.393849 
1 1 1 11  3   19 o 173.055 3.4939  4036.24   161.949   4054.12   228.825   4018.29   229.236   173.442 4.9256  172.667 4.9566  0.7750549      6.987803 
1 1 1 11  3   20 o 68.419  2.0772  628.708   38.058    642.062   53.694    615.226   53.950    69.151  2.8989  67.686  2.9758  1.465210       4.154423 
1 1 1 11  3   21 o 34.274  1.8936  158.821   17.210    147.080   24.227    170.781   24.452    32.976  2.7686  35.572  2.5841  -2.595436      3.787128 
1 1 1 11  3   22 o 62.361  1.9850  522.871   33.113    488.861   46.526    557.778   47.136    60.299  2.8807  64.422  2.7317  -4.122971      3.969944 
1 1 1 11  3   23 o 86.529  2.2434  1008.75   51.992    1012.60   73.238    1004.84   73.821    86.698  3.1538  86.359  3.1914  0.3389282      4.486832 
1 1 1 11  3   24 o 44.214  1.8990  264.285   22.375    269.365   31.431    259.065   31.859    44.654  2.6396  43.775  2.7308  0.8783226      3.798004 
1 1 1 11  3   25 o 31.048  1.9297  131.061   15.876    134.464   22.337    127.586   22.568    31.467  2.6756  30.629  2.7813  0.8384476      3.859333 
1 1 1 11  3   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  3   27 o 32.017  1.9488  139.915   16.454    122.510   23.001    158.161   23.549    29.929  2.9058  34.105  2.5975  -4.175756      3.897526 
1 1 1 11  3   28 o 30.456  1.9939  126.964   16.068    131.863   22.671    122.019   22.776    31.067  2.7530  29.846  2.8851  1.220589       3.987798 
1 1 1 11  3   29 o 56.240  2.0204  431.131   30.348    448.808   42.712    413.108   43.127    57.468  2.7748  55.013  2.9375  2.455143       4.040819 
1 1 1 11  3   30 o 44.892  1.9696  275.848   23.544    285.463   33.042    265.931   33.558    45.715  2.7105  44.070  2.8584  1.645611       3.939195 
1 1 1 11  3   31 o 27.443  2.1449  104.527   15.502    104.749   21.815    104.301   22.032    27.479  3.0134  27.407  3.0531  0.7211113E-01  4.289737 
1 1 1 11  3   32 o 28.992  2.1813  117.435   16.623    127.085   23.526    107.813   23.492    30.247  2.9410  27.737  3.2221  2.510326       4.362524 
1 1 1 11  3   33 o 49.966  2.0834  347.653   27.691    371.025   38.945    323.758   39.379    51.749  2.8204  48.184  3.0672  3.565201       4.166796 
1 1 1 11  3   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  3   35 o 11.111  2.8198  15.983    10.829    20.624    15.266    11.281    15.364    12.021  4.0267  10.202  3.9485  1.818970       5.639582 
1 1 1 11  3   36 o 21.817  2.6439  72.028    14.687    83.046    20.189    59.643    21.405    23.923  3.2336  19.711  4.1838  4.212395       5.287806 
1 1 1 11  3   37 o 14.467  3.0290  32.633    12.568    32.494    17.736    32.772    17.811    14.439  4.2800  14.496  4.2872  -0.5621624E-01 6.057944 
1 1 1 11  3   38 o 30.660  2.4082  139.465   19.224    157.691   27.015    120.768   27.362    32.957  3.0966  28.362  3.6891  4.595465       4.816467 
1 1 1 11  3   39 o 13.042  3.0478  26.172    13.174    38.286    18.455    13.584    18.811    15.320  4.3140  10.765  4.3065  4.555208       6.095589 
1 1 1 11  3   40 o 11.749  2.8877  18.220    12.779    -0.4841   17.910    37.613    18.238    8.5996  3.8343  14.898  4.3191  -6.298395      5.775471 
1 1 1 11  4   0  o 230.534 4.3502  7128.85   268.529   6902.15   379.121   7357.07   380.397   226.851 6.2395  234.217 6.0636  -7.366165      8.700452 
1 1 1 11  4   1  o 249.519 4.7519  8355.84   317.454   8625.53   448.616   8085.35   449.281   253.561 6.6055  245.478 6.8331  8.083145       9.503863 
1 1 1 11  4   2  o 406.022 7.5455  22189.39  820.508   22537.67  1160.24   21840.95  1160.51   409.226 10.585  402.819 10.756  6.406982       15.09091 
1 1 1 11  4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  4   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  4   5  o 136.500 2.8820  2498.05   105.368   2491.45   149.188   2504.61   148.837   136.320 4.0859  136.680 4.0655  -0.3604889     5.763942 
1 1 1 11  4   6  o 162.527 3.3261  3543.65   144.793   3536.25   204.967   3551.03   204.569   162.357 4.7133  162.697 4.6943  -0.3400116     6.652208 
1 1 1 11  4   7  o 76.225  2.0539  778.872   41.910    812.360   59.461    745.813   59.080    77.854  2.8514  74.595  2.9569  3.259033       4.107799 
1 1 1 11  4   8  o 300.489 5.7076  12177.88  459.373   12232.31  649.787   12123.51  649.517   301.165 8.0552  299.814 8.0882  1.350922       11.41513 
1 1 1 11  4   9  o 142.149 3.0108  2712.27   114.631   2743.84   162.217   2680.77   162.008   142.977 4.2359  141.321 4.2800  1.655975       6.021679 
1 1 1 11  4   10 o 189.910 3.7922  4849.73   192.893   4883.03   272.866   4816.48   272.719   190.564 5.3459  189.256 5.3799  1.307938       7.584352 
1 1 1 11  4   11 o 168.654 3.3948  3823.09   153.353   3787.56   216.796   3858.66   216.952   167.867 4.8217  169.441 4.7803  -1.573532      6.789684 
1 1 1 11  4   12 o 11.901  2.0616  19.911    6.8458    10.648    9.7870    28.785    9.5791    9.3646  3.2230  14.437  2.5715  -5.072280      4.123149 
1 1 1 11  4   13 o 97.183  2.3048  1267.27   59.993    1265.19   84.718    1269.35   84.968    97.103  3.2573  97.262  3.2615  -0.1591949     4.609509 
1 1 1 11  4   14 o 67.237  1.9873  606.877   35.752    637.716   50.469    575.811   50.654    68.956  2.7325  65.518  2.8864  3.437737       3.974696 
1 1 1 11  4   15 f 111.893 2.5454  1681.07   76.287    1669.84   107.662   1692.41   108.111   111.517 3.6044  112.269 3.5952  -0.7518921     5.090868 
1 1 1 11  4   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  4   17 o 184.654 3.7119  4594.69   183.581   4629.90   259.349   4559.32   259.897   185.369 5.2235  183.939 5.2752  1.429489       7.423754 
1 1 1 11  4   18 o 166.024 3.3626  3712.51   149.513   3635.46   211.105   3790.05   211.784   164.288 4.7974  167.761 4.7132  -3.473343      6.725230 
1 1 1 11  4   19 o 114.498 2.6402  1763.17   80.956    1797.44   114.272   1728.64   114.707   115.621 3.6899  113.376 3.7773  2.245094       5.280480 
1 1 1 11  4   20 o 35.471  1.8737  169.857   17.672    170.656   25.080    169.068   24.906    35.554  2.6528  35.388  2.6467  0.1661987      3.747309 
1 1 1 11  4   21 o 40.878  1.9133  225.590   20.820    232.779   29.369    218.326   29.521    41.542  2.6533  40.214  2.7573  1.327839       3.826580 
1 1 1 11  4   22 o 109.540 2.5688  1619.20   75.349    1656.79   106.279   1581.21   106.842   110.830 3.5801  108.250 3.6849  2.580238       5.137671 
1 1 1 11  4   23 o 48.624  1.9167  319.578   24.831    336.855   35.022    302.115   35.211    49.963  2.6262  47.285  2.7925  2.678059       3.833444 
1 1 1 11  4   24 o 70.744  2.0725  675.620   39.258    689.629   55.249    661.334   55.793    71.494  2.8852  69.995  2.9759  1.498535       4.144917 
1 1 1 11  4   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  4   26 o 39.574  1.9219  212.738   20.212    196.853   28.275    229.338   28.904    38.040  2.7946  41.107  2.6391  -3.066795      3.843773 
1 1 1 11  4   27 o 35.137  1.9332  168.385   18.034    172.906   25.232    163.663   25.786    35.638  2.6626  34.636  2.8035  1.001850       3.866353 
1 1 1 11  4   28 o 65.142  2.0929  577.248   36.513    578.282   51.290    576.186   51.993    65.209  2.9366  65.074  2.9829  0.1340408      4.185830 
1 1 1 11  4   29 o 7.7122  2.2582  1.3499    7.8337    6.4165    11.119    -3.6439   11.039    8.5987  3.3503  6.8257  3.0287  1.773003       4.516359 
1 1 1 11  4   30 o 16.475  2.5522  39.088    11.003    47.348    15.601    30.912    15.522    18.294  3.3056  14.656  3.8894  3.637592       5.104367 
1 1 1 11  4   31 o 61.282  2.0989  516.550   34.442    523.417   48.332    509.466   49.093    61.720  2.9236  60.844  3.0124  0.8755302      4.197838 
1 1 1 11  4   32 o 41.284  2.0693  236.806   22.698    248.748   31.906    224.569   32.296    42.392  2.8261  40.176  3.0234  2.216114       4.138583 
1 1 1 11  4   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  4   34 o 33.098  2.2013  155.861   19.190    170.971   27.080    140.621   27.197    34.829  2.9300  31.366  3.2861  3.463711       4.402670 
1 1 1 11  4   35 o 24.128  2.4966  85.288    15.622    78.947    21.933    91.816    22.257    23.127  3.6627  25.128  3.3936  -2.000921      4.993196 
1 1 1 11  4   36 o 13.662  2.7696  26.498    12.089    46.548    17.386    7.7302    16.821    17.518  3.8136  9.8070  4.0173  7.710958       5.539176 
1 1 1 11  4   37 o 22.560  2.6666  76.770    15.533    77.519    21.613    75.969    22.338    22.738  3.6739  22.382  3.8659  0.3559704      5.333147 
1 1 1 11  4   38 o 8.2110  2.5473  -2.4470   11.160    6.5443    15.608    -11.8518  15.963    9.2564  3.8385  7.1656  3.3498  2.090839       5.094625 
1 1 1 11  4   39 o 11.411  2.7976  16.149    12.336    34.857    17.045    -4.4272   17.876    14.573  4.1608  8.2486  3.7407  6.323908       5.595109 
1 1 1 11  5   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  5   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  5   2  o 73.864  1.9945  730.957   39.458    723.998   55.583    738.026   56.023    73.510  2.8230  74.218  2.8182  -0.7087784     3.988913 
1 1 1 11  5   3  o 308.752 5.8327  12820.70  482.351   12732.89  681.972   12908.60  682.322   307.690 8.2749  309.814 8.2224  -2.123993      11.66545 
1 1 1 11  5   4  o 193.520 3.8753  5026.25   200.871   4997.68   284.194   5054.78   283.955   192.969 5.4984  194.071 5.4626  -1.102097      7.750676 
1 1 1 11  5   5  o 318.442 5.9794  13661.63  510.008   13647.62  721.449   13675.63  721.071   318.277 8.4627  318.607 8.4496  -0.3294373     11.95880 
1 1 1 11  5   6  o 113.095 2.5298  1715.09   76.631    1735.33   108.572   1694.99   108.176   113.761 3.5631  112.430 3.5922  1.331192       5.059623 
1 1 1 11  5   7  o 111.716 2.5348  1674.00   75.829    1723.52   107.487   1624.93   106.991   113.363 3.5399  110.069 3.6290  3.293983       5.069608 
1 1 1 11  5   8  f 251.280 4.8711  8508.34   327.779   8310.99   463.540   8705.71   463.559   248.347 6.9685  254.212 6.8080  -5.864700      9.742127 
1 1 1 11  5   9  o 227.338 4.4049  6960.30   268.193   6836.85   379.246   7083.81   379.319   225.311 6.2842  229.366 6.1743  -4.055481      8.809820 
1 1 1 11  5   10 o 142.970 2.9982  2745.24   114.804   2789.39   162.443   2701.18   162.272   144.122 4.2081  141.819 4.2719  2.303253       5.996422 
1 1 1 11  5   11 o 102.472 2.4145  1409.01   66.271    1417.49   93.801    1400.55   93.642    102.780 3.4073  102.163 3.4221  0.6170120      4.829093 
1 1 1 11  5   12 o 55.366  1.8107  411.023   26.849    418.958   38.026    403.134   37.915    55.899  2.5397  54.832  2.5816  1.066910       3.621383 
1 1 1 11  5   13 o 105.479 2.4429  1493.40   69.012    1471.96   97.525    1514.91   97.671    104.719 3.4770  106.239 3.4324  -1.519836      4.885761 
1 1 1 11  5   14 o 99.046  2.3531  1316.89   62.398    1267.76   88.035    1366.49   88.454    97.186  3.3819  100.906 3.2727  -3.720451      4.706183 
1 1 1 11  5   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  5   16 o 94.688  2.3171  1203.68   58.736    1153.82   82.738    1254.33   83.397    92.707  3.3320  96.669  3.2209  -3.961304      4.634256 
1 1 1 11  5   17 o 161.831 3.2979  3525.94   142.940   3469.48   201.779   3582.80   202.519   160.525 4.6929  163.136 4.6348  -2.611176      6.595795 
1 1 1 11  5   18 o 90.753  2.2926  1106.50   55.718    1126.87   78.592    1085.92   79.005    91.596  3.2034  89.910  3.2806  1.686310       4.585226 
1 1 1 11  5   19 o 89.440  2.2928  1075.41   54.887    1023.78   77.292    1127.93   77.956    87.268  3.3067  91.613  3.1769  -4.344986      4.585503 
1 1 1 11  5   20 o 71.474  2.0808  686.722   39.834    690.827   56.212    682.582   56.457    71.690  2.9274  71.259  2.9580  0.4317856      4.161627 
1 1 1 11  5   21 o 101.453 2.4289  1387.12   65.974    1333.69   92.882    1441.53   93.728    99.472  3.4861  103.435 3.3831  -3.962814      4.857799 
1 1 1 11  5   22 o 55.310  1.9541  412.267   28.898    403.806   40.673    420.891   41.065    54.699  2.7853  55.920  2.7417  -1.220890      3.908277 
1 1 1 11  5   23 o 88.984  2.3214  1070.55   55.301    1104.60   77.980    1036.11   78.436    90.423  3.2197  87.544  3.3450  2.878441       4.642798 
1 1 1 11  5   24 o 65.629  3.8596  587.810   67.549    587.810   67.549    0.0000    0.0000    65.629  3.8596  ?       ?       ?              ?        
1 1 1 11  5   25 o 100.061 2.4686  1361.55   66.152    1329.68   93.079    1394.08   94.034    98.867  3.5149  101.254 3.4672  -2.387085      4.937228 
1 1 1 11  5   26 o 44.974  1.9259  274.758   23.087    268.310   32.365    281.439   32.943    44.433  2.7328  45.515  2.7146  -1.082157      3.851847 
1 1 1 11  5   27 o 13.490  2.5995  25.528    9.9839    34.522    14.129    16.559    14.110    15.601  3.4708  11.379  3.8709  4.221647       5.199095 
1 1 1 11  5   28 o 51.023  2.0022  355.089   27.249    344.374   38.169    366.227   38.914    50.230  2.8487  51.816  2.8144  -1.585361      4.004475 
1 1 1 11  5   29 o 24.608  2.1712  84.099    13.980    79.175    19.666    89.129    19.877    23.845  3.1568  25.371  2.9818  -1.526539      4.342396 
1 1 1 11  5   30 o 27.338  2.1647  104.377   15.478    114.239   21.649    94.065    22.138    28.746  2.8493  25.930  3.2596  2.816189       4.329328 
1 1 1 11  5   31 o 37.227  2.0786  192.152   20.497    174.319   28.647    210.856   29.339    35.399  3.0512  39.055  2.8236  -3.656654      4.157260 
1 1 1 11  5   32 o 7.7748  3.3425  0.0277    12.549    0.0277    12.549    0.0000    0.0000    7.7748  3.3425  ?       ?       ?              ?        
1 1 1 11  5   33 o 30.018  2.2036  127.675   17.426    118.810   24.438    136.847   24.856    28.898  3.2115  31.138  3.0181  -2.239462      4.407168 
1 1 1 11  5   34 o 13.147  2.8163  24.928    11.370    13.914    15.896    36.465    16.269    10.758  4.0523  15.536  3.9121  -4.778163      5.632511 
1 1 1 11  5   35 f 8.3762  2.4428  0.2392    9.8088    -13.0061  14.091    12.690    13.662    6.6107  3.1084  10.142  3.7692  -3.530951      4.885592 
1 1 1 11  5   36 o 12.464  2.9206  21.856    12.049    10.635    16.938    33.349    17.142    10.262  4.0928  14.667  4.1675  -4.405253      5.841123 
1 1 1 11  5   37 f 27.195  2.5803  110.973   18.028    90.515    25.062    132.908   25.952    24.287  3.9913  30.103  3.2713  -5.815329      5.160588 
1 1 1 11  5   38 o 21.180  2.8475  71.473    15.445    47.561    21.377    97.589    22.341    16.864  4.6036  25.496  3.3527  -8.632332      5.695055 
1 1 1 11  6   0  o 226.193 4.3011  6866.54   260.572   6790.05   367.938   6943.50   369.074   224.927 6.1072  227.458 6.0579  -2.531372      8.602105 
1 1 1 11  6   1  o 190.735 3.7485  4881.31   191.482   4951.91   270.346   4810.25   271.249   192.122 5.2536  189.348 5.3483  2.774078       7.496970 
1 1 1 11  6   2  o 165.814 3.3267  3688.14   147.738   3727.83   208.603   3648.21   209.264   166.710 4.6716  164.917 4.7374  1.793579       6.653347 
1 1 1 11  6   3  o 237.283 4.5725  7565.77   290.604   7521.18   410.789   7610.44   411.164   236.581 6.4826  237.985 6.4502  -1.403809      9.144928 
1 1 1 11  6   4  o 88.154  2.1944  1041.67   51.813    1050.94   73.336    1032.42   73.215    88.546  3.0921  87.762  3.1146  0.7841187      4.388867 
1 1 1 11  6   5  o 314.311 5.9968  13330.58  504.853   13419.48  714.263   13241.83  713.677   315.365 8.4558  313.257 8.5057  2.108276       11.99369 
1 1 1 11  6   6  o 157.365 3.2405  3324.93   136.559   3408.50   193.417   3241.87   192.831   159.341 4.5319  155.389 4.6331  3.952148       6.480998 
1 1 1 11  6   7  o 191.025 3.7858  4906.36   193.630   5071.92   274.215   4741.71   273.455   194.251 5.2703  187.799 5.4363  6.451797       7.571653 
1 1 1 11  6   8  o 191.014 3.8010  4907.28   194.447   4823.60   275.110   4990.80   274.870   189.380 5.4235  192.649 5.3269  -3.268661      7.601994 
1 1 1 11  6   9  o 248.497 4.8121  8330.58   320.236   8152.67   452.853   8508.54   452.912   245.824 6.8777  251.170 6.7322  -5.346405      9.624211 
1 1 1 11  6   10 o 285.676 5.4652  11040.00  418.102   11304.19  591.584   10776.33  590.988   289.124 7.6391  282.228 7.8179  6.895691       10.93048 
1 1 1 11  6   11 o 70.796  1.9638  672.143   37.238    677.873   52.742    666.446   52.583    71.097  2.7696  70.494  2.7849  0.6023102      3.927627 
1 1 1 11  6   12 o 134.641 2.8990  2435.39   104.546   2432.25   147.852   2438.52   147.849   134.554 4.1024  134.728 4.0971  -0.1738434     5.797928 
1 1 1 11  6   13 o 112.048 5.0091  1689.53   150.333   1689.53   150.333   0.0000    0.0000    112.048 5.0091  ?       ?       ?              ?        
1 1 1 11  6   14 o 61.472  2.4613  503.803   37.544    520.839   67.253    496.091   45.252    62.128  4.0638  60.816  2.7780  1.312305       4.922606 
1 1 1 11  6   15 f 116.806 2.6688  1832.80   83.498    1825.33   117.923   1840.31   118.245   116.567 3.7769  117.045 3.7717  -0.4779205     5.337677 
1 1 1 11  6   16 o 35.138  1.8669  166.763   17.416    158.411   24.785    174.908   24.478    34.254  2.7239  36.021  2.5536  -1.766369      3.733744 
1 1 1 11  6   17 o 130.148 2.8721  2279.75   100.071   2359.11   141.373   2200.06   141.671   132.430 3.9856  127.866 4.1365  4.563805       5.744175 
1 1 1 11  6   18 o 80.083  2.1302  861.515   45.693    857.254   64.372    865.841   64.870    79.884  3.0085  80.283  3.0167  -0.3984222     4.260450 
1 1 1 11  6   19 o 77.726  2.1704  812.333   45.181    820.930   63.714    803.637   64.080    78.142  3.0441  77.310  3.0945  0.8323822      4.340810 
1 1 1 11  6   20 o 140.515 2.9857  2668.46   112.358   2615.27   158.452   2722.26   159.347   139.097 4.2530  141.933 4.1915  -2.835571      5.971316 
1 1 1 11  6   21 o 65.189  2.0133  572.037   35.151    563.971   49.458    580.270   49.968    64.724  2.8529  65.654  2.8415  -0.9299774     4.026532 
1 1 1 11  6   22 f 43.960  1.8962  261.395   22.208    270.538   31.328    252.161   31.485    44.745  2.6255  43.176  2.7367  1.568802       3.792448 
1 1 1 11  6   23 o 17.292  4.0478  42.305    18.417    42.305    18.417    0.0000    0.0000    17.292  4.0478  ?       ?       ?              ?        
1 1 1 11  6   24 o 55.547  1.9717  417.606   29.279    406.684   41.173    428.780   41.645    54.771  2.8161  56.322  2.7605  -1.550652      3.943453 
1 1 1 11  6   25 o 80.816  2.2333  887.032   48.336    865.976   68.018    908.515   68.703    79.839  3.1807  81.793  3.1360  -1.953712      4.466676 
1 1 1 11  6   26 o 45.778  1.9544  285.120   23.851    283.093   33.592    287.180   33.869    45.614  2.7625  45.942  2.7652  -0.3285255     3.908717 
1 1 1 11  6   27 o 19.613  2.3523  54.009    11.905    51.337    16.929    56.622    16.744    19.094  3.4365  20.132  3.2131  -1.037794      4.704635 
1 1 1 11  6   28 o 38.399  1.9673  201.795   20.043    183.671   27.982    220.891   28.723    36.591  2.8784  40.207  2.6825  -3.616138      3.934587 
1 1 1 11  6   29 o 33.691  2.0483  156.843   18.225    172.456   25.792    141.273   25.755    35.432  2.7390  31.951  3.0464  3.480930       4.096678 
1 1 1 11  6   30 o 23.297  2.3961  77.284    14.250    61.045    19.968    94.137    20.342    20.604  3.7565  25.989  2.9758  -5.384821      4.792295 
1 1 1 11  6   31 o 36.790  2.0776  188.355   20.290    180.030   28.437    196.988   28.958    35.937  2.9813  37.643  2.8943  -1.705921      4.155116 
1 1 1 11  6   32 o 7.4930  2.3416  -2.8602   9.2338    -3.7371   13.447    -2.0779   12.702    7.4941  3.3332  7.4919  3.2896  0.2196789E-02  4.683104 
1 1 1 11  6   33 o 15.742  2.9003  37.545    12.354    38.688    17.487    36.405    17.457    15.987  4.0723  15.496  4.1307  0.4917660      5.800579 
1 1 1 11  6   34 o 16.312  2.8026  40.423    12.340    51.817    17.701    29.648    17.213    18.652  3.6737  13.973  4.2335  4.679421       5.605259 
1 1 1 11  6   35 o 11.374  2.8714  17.408    11.277    11.731    16.345    22.565    15.579    10.374  4.0566  12.373  4.0649  -1.999003      5.742776 
1 1 1 11  6   36 o 35.828  2.3287  187.045   22.083    179.196   31.005    195.126   31.459    35.014  3.3468  36.642  3.2387  -1.628460      4.657332 
1 1 1 11  6   37 o 45.483  2.2659  303.336   27.402    287.136   38.255    320.407   39.270    44.167  3.2567  46.798  3.1512  -2.630768      4.531699 
1 1 1 11  7   0  o 136.457 2.8631  2497.83   104.598   2576.90   147.569   2417.99   148.280   138.631 3.9741  134.283 4.1226  4.348770       5.726251 
1 1 1 11  7   1  o 106.080 2.3979  1508.62   68.125    1520.96   95.954    1496.08   96.739    106.519 3.3632  105.642 3.4188  0.8766556      4.795730 
1 1 1 11  7   2  o 211.825 4.1165  6028.30   233.543   6097.02   329.937   5959.30   330.623   213.039 5.7821  210.611 5.8609  2.428741       8.233003 
1 1 1 11  7   3  o 332.819 6.2494  14954.46  557.073   15129.12  787.773   14779.76  787.866   334.779 8.7853  330.859 8.8904  3.919373       12.49878 
1 1 1 11  7   4  o 260.116 4.9710  9112.34   346.336   9135.41   489.845   9089.28   489.740   260.447 7.0218  259.785 7.0382  0.6617432      9.941966 
1 1 1 11  7   5  o 41.181  1.7622  228.179   19.342    223.551   27.426    232.758   27.281    40.762  2.5245  41.601  2.4592  -0.8388138     3.524309 
1 1 1 11  7   6  o 123.317 2.6929  2040.80   88.939    2016.25   125.933   2065.23   125.626   122.575 3.8357  124.059 3.7806  -1.483459      5.385700 
1 1 1 11  7   7  o 151.017 3.1708  3063.39   128.252   3103.27   181.628   3023.73   181.125   151.999 4.4612  150.034 4.5071  1.965042       6.341648 
1 1 1 11  7   8  o 170.520 3.4294  3908.67   156.633   3890.01   221.714   3927.27   221.312   170.112 4.8660  170.929 4.8339  -0.8170013     6.858895 
1 1 1 11  7   9  o 149.243 3.0970  2992.97   123.763   3085.50   175.300   2901.01   174.758   151.549 4.3185  146.936 4.4404  4.613571       6.194086 
1 1 1 11  7   10 o 32.176  1.7566  139.632   14.984    152.364   21.430    127.456   20.958    33.628  2.3949  30.725  2.5703  2.903198       3.513121 
1 1 1 11  7   11 o 152.921 3.1729  3143.42   129.962   3133.64   183.866   3153.17   183.721   152.682 4.4960  153.159 4.4784  -0.4772644     6.345885 
1 1 1 11  7   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  7   13 o 74.869  2.0976  752.024   42.063    745.602   59.538    758.424   59.433    74.549  2.9817  75.189  2.9511  -0.6395798     4.195206 
1 1 1 11  7   14 o 32.584  1.8499  143.360   16.000    141.593   22.909    145.043   22.357    32.382  2.6650  32.786  2.5664  -0.4043846     3.699752 
1 1 1 11  7   15 f 98.563  2.3776  1304.68   62.750    1266.56   88.572    1343.09   88.914    97.114  3.4050  100.012 3.3192  -2.897766      4.755121 
1 1 1 11  7   16 o 50.797  1.9054  347.069   25.820    372.276   36.653    322.237   36.379    52.674  2.5979  48.920  2.7879  3.753731       3.810735 
1 1 1 11  7   17 o 74.181  2.0902  739.144   41.530    740.081   58.593    738.199   58.871    74.229  2.9470  74.133  2.9648  0.9575653E-01  4.180339 
1 1 1 11  7   18 o 60.014  1.9627  483.949   31.544    494.278   44.571    473.584   44.650    60.657  2.7433  59.370  2.8078  1.287762       3.925493 
1 1 1 11  7   19 o 198.370 3.9443  5353.32   209.544   5239.71   295.841   5467.70   296.841   196.230 5.6287  200.510 5.5271  -4.280258      7.888654 
1 1 1 11  7   20 o 80.623  2.1683  875.803   46.793    835.466   65.891    916.843   66.463    78.741  3.1242  82.505  3.0075  -3.764214      4.336569 
1 1 1 11  7   21 o 53.175  1.9254  381.488   27.368    388.872   38.597    374.023   38.811    53.733  2.6818  52.617  2.7635  1.116261       3.850849 
1 1 1 11  7   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  7   23 o 42.752  1.9252  248.359   21.875    266.248   30.813    230.181   31.062    44.335  2.6062  41.168  2.8342  3.167221       3.850329 
1 1 1 11  7   24 o 41.827  1.9180  237.661   21.351    224.732   30.012    250.909   30.382    40.658  2.7725  42.997  2.6510  -2.339222      3.835916 
1 1 1 11  7   25 o 65.289  2.0671  578.459   36.127    551.911   50.748    605.739   51.442    63.756  2.9718  66.822  2.8742  -3.066242      4.134259 
1 1 1 11  7   26 f 59.377  2.0667  480.141   32.807    486.766   46.121    473.356   46.675    59.842  2.8775  58.913  2.9674  0.9282722      4.133432 
1 1 1 11  7   27 o 68.044  2.1477  632.756   39.106    658.503   55.023    606.476   55.589    69.478  2.9567  66.610  3.1157  2.868263       4.295332 
1 1 1 11  7   28 o 6.0472  1.9795  -8.9268   7.6188    -11.3897  10.816    -6.5010   10.734    5.7782  2.7190  6.3162  2.8776  -0.5379486     3.958950 
1 1 1 11  7   29 o 49.341  2.0376  335.615   26.787    348.532   37.718    322.469   38.050    50.336  2.8087  48.345  2.9526  1.991417       4.075114 
1 1 1 11  7   30 f 26.642  2.2873  100.065   15.969    103.163   22.367    96.845    22.806    27.105  3.1389  26.178  3.3278  0.9270439      4.574602 
1 1 1 11  7   31 o 31.854  2.1906  142.804   18.381    128.271   25.663    158.115   26.341    30.109  3.2328  33.599  2.9570  -3.490486      4.381252 
1 1 1 11  7   32 o 31.747  2.2115  143.142   18.538    148.124   25.974    137.969   26.465    32.368  3.0312  31.126  3.2210  1.242437       4.423033 
1 1 1 11  7   33 o 10.771  2.7332  12.711    10.828    1.4149    14.987    25.047    15.662    8.5507  3.6638  12.991  4.0570  -4.440717      5.466455 
1 1 1 11  7   34 o 23.153  2.5912  79.289    15.456    69.423    21.574    89.691    22.153    21.514  3.8869  24.791  3.4279  -3.276527      5.182477 
1 1 1 11  7   35 o 18.411  3.0132  52.920    14.609    59.423    20.742    46.519    20.578    19.665  4.0720  17.158  4.4427  2.506657       6.026461 
1 1 1 11  7   36 o 30.812  2.4029  140.789   19.449    146.956   27.112    134.252   27.916    31.640  3.2451  29.983  3.5447  1.656229       4.805782 
1 1 1 11  7   37 o 28.007  3.4805  119.272   25.546    119.272   25.546    0.0000    0.0000    28.007  3.4805  ?       ?       ?              ?        
1 1 1 11  8   0  o 75.035  1.9906  754.981   39.987    777.941   56.314    731.631   56.789    76.187  2.7596  73.882  2.8697  2.304710       3.981262 
1 1 1 11  8   1  o 160.495 3.2972  3459.85   141.626   3612.10   199.951   3306.57   200.630   164.049 4.5505  156.941 4.7728  7.108459       6.594440 
1 1 1 11  8   2  o 82.485  2.1091  912.052   46.594    898.361   65.592    925.998   66.200    81.860  2.9915  83.111  2.9738  -1.250153      4.218126 
1 1 1 11  8   3  o 64.393  1.8942  555.788   32.660    537.479   45.969    574.451   46.411    63.322  2.7103  65.465  2.6468  -2.143055      3.788356 
1 1 1 11  8   4  o 54.315  1.8498  395.450   26.911    398.025   38.080    392.882   38.036    54.491  2.6091  54.138  2.6230  0.3534966      3.699663 
1 1 1 11  8   5  o 240.880 4.6337  7818.55   298.965   7842.53   422.995   7794.62   422.604   241.251 6.5460  240.510 6.5601  0.7411346      9.267454 
1 1 1 11  8   6  o 263.029 5.0745  9338.05   357.506   9360.85   505.842   9315.30   505.339   263.351 7.1712  262.706 7.1816  0.6445923      10.14897 
1 1 1 11  8   7  o 64.613  1.9361  560.116   33.486    539.239   47.505    580.733   47.209    63.414  2.7968  65.812  2.6781  -2.398067      3.872274 
1 1 1 11  8   8  o 63.140  1.9442  535.509   32.814    498.740   46.590    571.703   46.224    60.983  2.8523  65.298  2.6429  -4.314869      3.888498 
1 1 1 11  8   9  o 68.604  2.0033  631.146   36.805    648.696   52.329    613.966   51.775    69.549  2.8091  67.660  2.8570  1.889015       4.006659 
1 1 1 11  8   10 o 104.582 4.7998  1470.97   134.452   1470.97   134.452   0.0000    0.0000    104.582 4.7998  ?       ?       ?              ?        
1 1 1 11  8   11 o 175.907 7.0340  4182.70   331.417   0.0000    0.0000    4182.70   331.417   ?       ?       175.907 7.0340  ?              ?        
1 1 1 11  8   12 o 141.424 2.9759  2688.01   112.726   2714.10   159.498   2661.98   159.339   142.112 4.1902  140.736 4.2269  1.375488       5.951883 
1 1 1 11  8   13 o 40.458  1.8313  220.421   19.735    227.028   28.030    213.927   27.791    41.064  2.5612  39.852  2.6181  1.212139       3.662511 
1 1 1 11  8   14 f 43.523  1.8441  255.225   21.353    275.735   30.342    235.100   30.055    45.271  2.5121  41.775  2.7005  3.496124       3.688269 
1 1 1 11  8   15 o 99.258  2.4159  1323.89   64.220    1348.64   90.820    1299.14   90.821    100.189 3.3843  98.327  3.4484  1.861855       4.831717 
1 1 1 11  8   16 o 95.550  2.3698  1227.47   60.646    1245.15   85.767    1209.78   85.765    96.241  3.3271  94.859  3.3755  1.382111       4.739612 
1 1 1 11  8   17 o 56.655  1.9459  431.217   29.527    435.389   41.777    427.052   41.738    56.929  2.7398  56.380  2.7639  0.5492096      3.891722 
1 1 1 11  8   18 o 192.583 3.8697  5042.57   199.611   5034.72   282.010   5050.44   282.577   192.434 5.4714  192.733 5.4738  -0.2988586     7.739416 
1 1 1 11  8   19 o 73.186  2.0897  721.269   40.951    697.840   57.686    745.071   58.143    71.983  2.9919  74.389  2.9181  -2.406204      4.179322 
1 1 1 11  8   20 o 20.774  2.1780  60.096    11.561    48.312    16.392    71.757    16.307    18.623  3.4120  22.925  2.7080  -4.301640      4.356008 
1 1 1 11  8   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  8   22 o 54.675  1.9680  404.715   28.743    421.904   40.589    387.426   40.708    55.891  2.7113  53.460  2.8532  2.430264       3.935980 
1 1 1 11  8   23 f 74.761  2.1737  758.057   43.526    760.131   61.307    755.948   61.808    74.870  3.0571  74.653  3.0910  0.2165833      4.347482 
1 1 1 11  8   24 o 25.351  2.0803  88.326    13.858    85.458    19.519    91.241    19.678    24.922  2.9834  25.781  2.9000  -0.8587532     4.160585 
1 1 1 11  8   25 o 91.535  2.3975  1144.68   58.778    1139.61   82.728    1149.84   83.527    91.335  3.3816  91.735  3.3994  -0.3995590     4.794922 
1 1 1 11  8   26 o 49.424  1.9901  334.214   26.153    362.281   36.885    305.841   37.086    51.565  2.6798  47.282  2.9430  4.282631       3.980263 
1 1 1 11  8   27 o 16.339  2.6540  38.574    11.417    32.452    16.311    44.454    15.987    15.010  3.9889  17.668  3.5019  -2.657934      5.307990 
1 1 1 11  8   28 o 22.368  2.4098  70.844    13.869    81.959    19.835    60.211    19.400    24.208  3.1325  20.528  3.6627  3.680449       4.819529 
1 1 1 11  8   29 o 28.075  2.2457  110.616   16.523    121.789   23.573    99.824    23.167    29.545  3.0213  26.606  3.3233  2.938431       4.491384 
1 1 1 11  8   30 o 56.295  2.9313  455.374   39.126    460.198   73.893    453.494   46.121    55.571  5.0185  57.019  3.0308  -1.448097      5.862676 
1 1 1 11  8   31 o 16.625  2.7735  41.263    12.210    47.976    17.441    34.810    17.099    18.026  3.7351  15.224  4.1012  2.801628       5.547089 
1 1 1 11  8   32 o 6.6655  2.1971  -11.1347  9.5779    -9.8401   13.993    -12.2759  13.138    6.9211  3.2013  6.4100  3.0100  0.5110884      4.394159 
1 1 1 11  8   33 o 65.784  2.2662  615.536   39.919    595.901   55.845    636.052   57.085    64.690  3.2230  66.878  3.1867  -2.188354      4.532422 
1 1 1 11  8   34 o 22.488  2.7942  77.171    15.972    97.570    22.730    57.277    22.447    25.858  3.3614  19.118  4.4645  6.740524       5.588414 
1 1 1 11  8   35 o 14.555  3.0957  33.599    13.053    34.384    18.214    32.770    18.716    14.729  4.3296  14.380  4.4258  0.3491592      6.191361 
1 1 1 11  8   36 o 16.576  3.0825  44.925    13.927    51.274    20.126    39.090    19.292    17.764  4.2804  15.388  4.4367  2.375246       6.164916 
1 1 1 11  9   0  o 160.962 3.2560  3479.24   140.352   3544.57   198.046   3413.32   198.932   162.485 4.5506  159.439 4.6582  3.045944       6.512033 
1 1 1 11  9   1  o 116.437 2.5630  1818.95   79.924    1840.76   112.626   1796.83   113.437   117.142 3.5895  115.732 3.6594  1.409866       5.126012 
1 1 1 11  9   2  o 141.413 2.9583  2684.48   112.049   2684.39   158.076   2684.57   158.849   141.411 4.1734  141.414 4.1937  -0.3295898E-02 5.916507 
1 1 1 11  9   3  o 174.559 3.5284  4096.54   164.863   3914.43   232.694   4280.09   233.612   170.650 5.0908  178.468 4.8870  -7.818130      7.056897 
1 1 1 11  9   4  o 103.114 2.4098  1427.03   66.516    1484.01   94.038    1369.98   94.097    105.178 3.3380  101.050 3.4766  4.128494       4.819645 
1 1 1 11  9   5  o 193.450 3.8575  5035.26   199.875   5059.48   282.802   5011.09   282.529   193.916 5.4448  192.983 5.4658  0.9331360      7.714959 
1 1 1 11  9   6  o 117.787 2.6630  1862.35   84.014    1866.55   119.022   1858.18   118.606   117.919 3.7684  117.655 3.7636  0.2642593      5.325951 
1 1 1 11  9   7  o 25.268  1.8380  86.599    12.226    94.052    17.376    79.292    17.206    26.370  2.4896  24.167  2.7045  2.202644       3.675904 
1 1 1 11  9   8  o 44.559  1.8273  267.474   21.675    249.868   30.711    284.945   30.594    43.084  2.6745  46.034  2.4905  -2.949905      3.654516 
1 1 1 11  9   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  9   10 o 28.897  1.9286  113.309   14.695    104.017   20.941    122.324   20.625    27.700  2.8637  30.093  2.5839  -2.392401      3.857159 
1 1 1 11  9   11 o 60.662  1.9253  493.534   31.282    496.863   44.451    490.267   44.032    60.865  2.7266  60.460  2.7190  0.4050636      3.850657 
1 1 1 11  9   12 o 81.138  2.1648  883.676   47.035    861.301   66.597    905.944   66.439    80.111  3.1037  82.165  3.0189  -2.054596      4.329688 
1 1 1 11  9   13 o 202.545 4.0522  5539.36   219.799   5416.86   310.728   5662.04   310.958   200.286 5.7922  204.804 5.6686  -4.518158      8.104455 
1 1 1 11  9   14 o 38.420  1.8503  199.007   18.926    201.527   26.753    196.482   26.779    38.667  2.5982  38.174  2.6351  0.4928474      3.700600 
1 1 1 11  9   15 o 153.481 3.2270  3178.46   132.621   3270.82   187.599   3086.19   187.509   155.726 4.4976  151.235 4.6289  4.490753       6.454086 
1 1 1 11  9   16 o 107.509 2.5354  1556.38   73.007    1573.45   103.246   1539.31   103.249   108.102 3.5657  106.916 3.6054  1.185783       5.070863 
1 1 1 11  9   17 o 99.629  2.3944  1337.29   63.887    1308.95   90.269    1365.73   90.430    98.565  3.4192  100.692 3.3529  -2.126884      4.788871 
1 1 1 11  9   18 o 98.511  2.4431  1309.57   64.460    1293.23   91.064    1325.97   91.258    97.892  3.4730  99.131  3.4370  -1.239136      4.886180 
1 1 1 11  9   19 o 77.687  2.1538  814.208   44.815    820.344   63.316    808.047   63.440    77.983  3.0313  77.391  3.0604  0.5920868      4.307547 
1 1 1 11  9   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  9   21 o 75.206  2.1609  765.873   43.506    791.407   61.406    740.136   61.649    76.480  2.9976  73.932  3.1132  2.548470       4.321770 
1 1 1 11  9   22 o 15.515  2.4925  34.048    10.125    32.542    14.349    35.541    14.289    15.162  3.5890  15.867  3.4597  -0.7048874     4.985005 
1 1 1 11  9   23 o 31.936  1.9946  139.242   16.886    137.779   23.791    140.727   23.971    31.765  2.8258  32.108  2.8158  -0.3429794     3.989183 
1 1 1 11  9   24 o 49.845  1.9874  338.333   26.421    342.729   37.176    333.845   37.558    50.183  2.7766  49.507  2.8443  0.6762085      3.974813 
1 1 1 11  9   25 o 41.005  1.9880  229.940   21.681    240.255   30.582    219.517   30.742    41.956  2.7363  40.054  2.8848  1.901680       3.976099 
1 1 1 11  9   26 o 20.014  2.4519  56.635    12.665    55.969    18.028    57.283    17.797    19.882  3.5139  20.146  3.4204  -0.2637215     4.903720 
1 1 1 11  9   27 o 25.193  2.3039  89.729    14.751    67.379    20.605    113.223   21.127    21.752  3.6670  28.633  2.7901  -6.881054      4.607779 
1 1 1 11  9   28 o 25.690  2.2688  92.875    15.233    86.718    21.613    98.951    21.471    24.782  3.3413  26.598  3.0702  -1.816780      4.537693 
1 1 1 11  9   29 o 30.212  2.1867  128.223   17.435    125.538   24.856    130.824   24.463    29.870  3.1545  30.554  3.0291  -0.6843700     4.373385 
1 1 1 11  9   30 o 25.164  2.4798  92.591    15.631    120.497   22.287    65.574    21.930    29.294  2.8776  21.033  4.0393  8.260906       4.959507 
1 1 1 11  9   31 o 18.381  2.7874  50.878    13.382    63.214    19.044    38.845    18.810    20.798  3.5458  15.965  4.3018  4.833283       5.574733 
1 1 1 11  9   32 o 33.153  2.2636  157.301   19.644    132.510   27.335    183.776   28.248    30.274  3.4316  36.031  2.9530  -5.757090      4.527232 
1 1 1 11  9   33 o 6.3583  2.1177  -12.6872  9.3116    -12.1593  13.440    -13.1746  12.913    6.4897  3.0464  6.2268  2.9424  0.2628789      4.235388 
1 1 1 11  9   34 o 9.7245  2.8182  7.6279    11.735    10.676    17.022    4.8676    16.199    10.238  4.0963  9.2107  3.8716  1.027672       5.636403 
1 1 1 11  9   35 o 9.5459  2.7627  8.2951    11.238    7.4932    15.832    9.1094    15.953    9.4100  3.8810  9.6819  3.9330  -0.2718801     5.525440 
1 1 1 11  10  0  o 112.261 2.5118  1691.53   75.490    1744.17   106.381   1638.14   107.142   114.025 3.4832  110.497 3.6201  3.527596       5.023691 
1 1 1 11  10  1  o 179.149 3.5360  4315.12   169.606   4444.74   239.437   4184.57   240.283   181.861 4.9154  176.437 5.0845  5.424210       7.072009 
1 1 1 11  10  2  o 99.860  2.3583  1337.73   63.076    1338.16   88.836    1337.28   89.575    99.877  3.3207  99.843  3.3495  0.3435516E-01  4.716610 
1 1 1 11  10  3  o 156.073 3.2324  3273.42   135.100   3345.95   190.859   3200.59   191.261   157.812 4.5153  154.334 4.6267  3.478256       6.464865 
1 1 1 11  10  4  o 78.080  2.1092  818.000   44.086    849.245   62.297    786.655   62.397    79.577  2.9228  76.584  3.0418  2.992958       4.218439 
1 1 1 11  10  5  o 86.346  2.2361  1000.19   51.712    1016.10   73.214    984.354   73.050    87.032  3.1407  85.660  3.1839  1.372208       4.472234 
1 1 1 11  10  6  o 85.206  2.6972  961.560   57.844    934.310   70.313    1018.61   101.742   83.453  3.1456  86.958  4.3823  -3.504501      5.394346 
1 1 1 11  10  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  10  8  o 138.328 2.9722  2570.98   110.119   2548.52   155.966   2593.30   155.498   137.723 4.2280  138.933 4.1786  -1.209793      5.944454 
1 1 1 11  10  9  o 95.000  2.3449  1211.17   59.666    1216.97   84.697    1205.46   84.067    95.226  3.3207  94.775  3.3117  0.4509583      4.689753 
1 1 1 11  10  10 o 131.368 2.8637  2318.95   100.762   2323.41   142.739   2314.52   142.261   131.493 4.0527  131.242 4.0469  0.2510986      5.727304 
1 1 1 11  10  11 o 227.581 4.4365  6998.29   270.424   7079.99   382.732   6916.85   382.144   228.918 6.2420  226.244 6.3061  2.673172       8.872993 
1 1 1 11  10  12 o 206.618 4.0917  5766.82   226.443   5770.83   320.400   5762.81   320.079   206.689 5.7874  206.546 5.7856  0.1430664      8.183395 
1 1 1 11  10  13 o 176.404 3.5721  4200.09   168.779   4177.18   238.710   4222.99   238.671   175.919 5.0660  176.888 5.0375  -0.9698181     7.144281 
1 1 1 11  10  14 o 94.610  2.3380  1203.98   59.215    1158.12   83.725    1249.89   83.761    92.799  3.3684  96.421  3.2433  -3.621559      4.675988 
1 1 1 11  10  15 o 23.161  2.1822  73.604    13.154    68.463    18.820    78.513    18.393    22.329  3.2414  23.992  2.9225  -1.662979      4.364351 
1 1 1 11  10  16 o 45.405  1.8826  278.096   22.779    291.438   32.400    265.058   32.031    46.492  2.6125  44.319  2.7114  2.172966       3.765186 
1 1 1 11  10  17 o 36.211  1.8955  177.492   18.243    172.115   25.959    182.739   25.643    35.658  2.7389  36.764  2.6212  -1.106136      3.791053 
1 1 1 11  10  18 o 65.244  2.0268  573.972   35.409    557.875   50.086    590.056   50.066    64.323  2.9071  66.165  2.8250  -1.841698      4.053680 
1 1 1 11  10  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  10  20 f 58.748  2.0055  466.489   31.556    459.068   44.567    473.949   44.686    58.276  2.8552  59.220  2.8171  -0.9442101     4.011023 
1 1 1 11  10  21 o 56.935  2.0073  439.246   30.560    433.939   43.165    444.578   43.271    56.551  2.8590  57.319  2.8184  -0.7681503     4.014694 
1 1 1 11  10  22 o 46.640  1.9707  295.863   24.477    311.877   34.638    279.890   34.593    47.924  2.7096  45.355  2.8623  2.568882       3.941346 
1 1 1 11  10  23 o 10.123  2.4734  11.024    8.7798    20.380    12.536    2.0169    12.300    12.114  3.6000  8.1312  3.3927  3.983194       4.946791 
1 1 1 11  10  24 o 42.513  1.9852  246.840   22.478    247.705   31.687    245.963   31.891    42.593  2.7930  42.433  2.8220  0.1591759      3.970441 
1 1 1 11  10  25 f 14.121  2.7350  28.584    10.913    20.379    15.692    36.270    15.186    12.333  4.0810  15.909  3.6424  -3.575664      5.470066 
1 1 1 11  10  26 o 71.768  2.1998  708.357   42.283    695.583   59.441    721.442   60.158    71.107  3.1210  72.429  3.1009  -1.321960      4.399576 
1 1 1 11  10  27 o 42.215  2.0641  246.821   23.161    256.095   32.369    237.092   33.153    43.077  2.8210  41.354  3.0138  1.722496       4.128101 
1 1 1 11  10  28 o 25.390  2.3609  91.389    15.635    98.653    22.454    84.552    21.784    26.423  3.2406  24.357  3.4343  2.065495       4.721826 
1 1 1 11  10  29 o 31.057  2.2417  136.544   18.361    130.921   26.174    141.992   25.762    30.370  3.2692  31.744  3.0682  -1.373911      4.483476 
1 1 1 11  10  30 o 13.648  2.9255  26.755    12.037    37.812    17.583    17.002    16.513    15.827  4.1109  11.470  4.1635  4.357129       5.851025 
1 1 1 11  10  31 o 15.789  2.9219  37.927    12.500    37.265    17.780    38.573    17.578    15.643  4.1682  15.935  4.0959  -0.2920742     5.843818 
1 1 1 11  10  32 o 9.5276  2.6552  7.2490    10.584    -2.8138   15.522    15.994    14.470    8.1163  3.5969  10.939  3.9067  -2.822781      5.310340 
1 1 1 11  10  33 o 18.177  2.8821  51.467    13.982    69.939    20.034    33.928    19.522    21.667  3.5770  14.687  4.5200  6.979689       5.764159 
1 1 1 11  10  34 o 8.8643  2.6725  3.5166    11.195    5.0946    15.689    1.8797    15.980    9.0550  3.8084  8.6737  3.7503  0.3813562      5.345008 
1 1 1 11  11  0  o 80.212  2.0550  862.657   44.147    845.811   62.066    879.909   62.809    79.419  2.9177  81.005  2.8948  -1.585846      4.110081 
1 1 1 11  11  1  o 188.510 3.7678  4781.27   190.200   4884.94   268.539   4676.92   269.429   190.571 5.2609  186.448 5.3951  4.122635       7.535526 
1 1 1 11  11  2  o 135.823 2.8691  2477.11   104.370   2431.75   147.091   2523.11   148.116   134.569 4.0809  137.078 4.0341  -2.508835      5.738242 
1 1 1 11  11  3  o 318.051 6.0645  13713.37  516.629   13687.08  730.250   13739.71  730.997   317.744 8.5803  318.358 8.5726  -0.6138611     12.12894 
1 1 1 11  11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  11  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  11  6  o 140.078 3.0004  2636.50   112.561   2592.36   159.238   2680.59   159.131   138.902 4.2801  141.254 4.2060  -2.351852      6.000745 
1 1 1 11  11  7  o 26.092  2.0209  93.174    13.745    81.197    19.777    104.364   19.117    24.407  3.0947  27.777  2.5997  -3.369642      4.041759 
1 1 1 11  11  8  o 193.303 3.8779  5034.59   200.715   5193.40   284.292   4876.76   283.419   196.359 5.4053  190.247 5.5619  6.112061       7.755785 
1 1 1 11  11  9  o 92.582  2.3248  1150.58   57.649    1148.80   81.773    1152.34   81.286    92.510  3.3001  92.654  3.2754  -0.1440353     4.649638 
1 1 1 11  11  10 o 71.307  2.0957  682.383   40.025    684.024   56.852    680.769   56.360    71.392  2.9731  71.223  2.9544  0.1691208      4.191375 
1 1 1 11  11  11 o 144.003 3.0352  2791.44   117.052   2857.75   165.891   2725.70   165.184   145.714 4.2504  142.293 4.3340  3.420517       6.070438 
1 1 1 11  11  12 o 62.050  1.9846  517.102   32.976    506.209   46.791    527.852   46.480    61.399  2.8452  62.702  2.7676  -1.303291      3.969198 
1 1 1 11  11  13 o 193.553 3.8835  5075.92   201.332   5102.21   284.885   5049.68   284.567   194.058 5.4809  193.048 5.5034  1.010635       7.767061 
1 1 1 11  11  14 o 99.169  2.4096  1324.21   64.003    1315.54   90.597    1332.86   90.431    98.842  3.4220  99.495  3.3933  -0.6529465     4.819227 
1 1 1 11  11  15 o 44.052  1.8862  261.965   22.141    258.029   31.637    265.743   30.997    43.720  2.7150  44.383  2.6191  -0.6630516     3.772386 
1 1 1 11  11  16 o 70.217  2.0775  664.184   39.063    683.855   55.488    644.857   55.001    71.252  2.9075  69.182  2.9682  2.069870       4.154922 
1 1 1 11  11  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  11  18 o 49.597  1.9422  332.950   25.668    354.497   36.544    311.968   36.061    51.199  2.6741  47.995  2.8175  3.204441       3.884422 
1 1 1 11  11  19 o 70.783  2.1074  677.925   39.951    666.849   56.501    688.999   56.498    70.199  3.0050  71.367  2.9556  -1.168365      4.214893 
1 1 1 11  11  20 o 85.444  2.2703  991.006   51.944    963.900   73.351    1018.28   73.571    84.257  3.2502  86.630  3.1707  -2.372505      4.540569 
1 1 1 11  11  21 o 51.682  2.0142  363.191   27.749    381.576   39.327    344.961   39.161    53.007  2.7796  50.357  2.9159  2.649937       4.028461 
1 1 1 11  11  22 o 91.302  2.3993  1138.09   58.667    1114.47   82.728    1161.99   83.210    90.336  3.4190  92.269  3.3669  -1.933083      4.798540 
1 1 1 11  11  23 o 32.442  2.0291  144.299   17.449    142.738   24.678    145.860   24.675    32.261  2.8864  32.623  2.8526  -0.3621635     4.058170 
1 1 1 11  11  24 o 45.071  2.0077  278.190   24.112    283.186   34.168    273.233   34.031    45.483  2.8186  44.659  2.8600  0.8236618      4.015499 
1 1 1 11  11  25 o 50.088  2.0624  345.148   27.531    355.632   38.750    334.462   39.123    50.886  2.8546  49.290  2.9773  1.596306       4.124710 
1 1 1 11  11  26 o 16.850  4.0402  41.547    17.998    41.547    17.998    0.0000    0.0000    16.850  4.0402  ?       ?       ?              ?        
1 1 1 11  11  27 o 51.212  2.1114  364.583   28.761    332.448   40.254    398.094   41.107    48.831  3.0937  53.593  2.8741  -4.761646      4.222702 
1 1 1 11  11  28 o 49.722  2.1381  346.229   28.279    320.154   39.822    372.756   40.165    47.750  3.1310  51.695  2.9127  -3.945164      4.276278 
1 1 1 11  11  29 o 14.096  2.8605  29.304    11.930    40.782    16.807    17.648    16.936    16.536  3.8642  11.656  4.2187  4.880090       5.721003 
1 1 1 11  11  30 o 34.339  2.2460  168.091   20.363    180.942   28.769    155.189   28.826    35.754  3.0326  32.924  3.3137  2.829521       4.491965 
1 1 1 11  11  31 o 12.996  2.8401  22.851    12.202    6.0407    17.026    40.605    17.498    9.6592  4.0076  16.334  4.0254  -6.674422      5.680221 
1 1 1 11  11  32 o 6.8555  2.2550  -16.1757  10.317    -0.5860   15.502    -28.5717  13.823    8.3467  3.6503  5.3643  2.6488  2.982355       4.510064 
1 1 1 11  11  33 o 15.144  3.0628  36.775    13.262    29.299    18.820    44.148    18.690    13.621  4.4674  16.667  4.1910  -3.046348      6.125533 
1 1 1 11  12  0  o 186.048 3.6698  4658.03   182.780   4818.83   258.053   4496.13   258.929   189.287 5.0898  182.809 5.2880  6.478439       7.339565 
1 1 1 11  12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  12  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  12  3  o 144.696 3.0765  2813.14   119.235   2807.56   168.281   2818.77   168.970   144.553 4.3463  144.840 4.3554  -0.2874603     6.153058 
1 1 1 11  12  4  o 32.698  1.9142  144.293   16.610    139.770   23.248    149.009   23.740    32.170  2.7236  33.226  2.6906  -1.056541      3.828498 
1 1 1 11  12  5  o 228.217 4.4063  7024.86   269.336   6943.25   380.818   7106.54   380.979   226.882 6.2666  229.553 6.1963  -2.670547      8.812681 
1 1 1 11  12  6  o 230.031 4.4681  7145.97   274.974   6746.46   388.602   7546.60   389.143   223.538 6.4903  236.523 6.1425  -12.98410      8.936140 
1 1 1 11  12  7  o 175.196 3.6165  4132.95   169.706   4161.57   240.268   4104.45   239.734   175.804 5.1024  174.589 5.1265  1.215164       7.233005 
1 1 1 11  12  8  o 89.974  2.2774  1086.72   54.884    1094.12   77.803    1079.38   77.435    90.279  3.2175  89.669  3.2241  0.6105270      4.554887 
1 1 1 11  12  9  o 152.704 3.1922  3139.41   130.565   3156.12   184.949   3122.81   184.346   153.110 4.5098  152.298 4.5191  0.8118744      6.384387 
1 1 1 11  12  10 o 148.182 3.0820  2957.62   122.323   2987.75   173.302   2927.71   172.681   148.937 4.3442  147.428 4.3730  1.509689       6.164008 
1 1 1 11  12  11 o 85.843  2.2520  990.414   51.778    996.643   73.524    984.285   72.931    86.111  3.1878  85.576  3.1818  0.5349579      4.503941 
1 1 1 11  12  12 o 148.481 3.1718  2977.51   126.142   2966.31   178.601   2988.65   178.182   148.199 4.4994  148.763 4.4718  -0.5646210     6.343576 
1 1 1 11  12  13 o 91.502  2.3409  1127.45   57.360    1156.44   81.356    1098.80   80.886    92.676  3.2774  90.327  3.3432  2.349106       4.681726 
1 1 1 11  12  14 o 42.002  1.8898  238.366   21.136    230.859   30.053    245.714   29.731    41.337  2.7297  42.667  2.6142  -1.329739      3.779567 
1 1 1 11  12  15 o 129.822 2.8487  2284.00   99.036    2342.56   140.256   2225.77   139.860   131.499 3.9821  128.145 4.0748  3.354309       5.697442 
1 1 1 11  12  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  12  17 o 67.981  2.0912  624.605   38.067    609.927   53.945    639.164   53.726    67.177  2.9981  68.785  2.9161  -1.608147      4.182380 
1 1 1 11  12  18 o 19.571  2.3697  55.165    11.627    36.005    16.598    73.622    16.291    15.943  3.9155  23.200  2.6704  -7.257476      4.739447 
1 1 1 11  12  19 o 15.753  2.4894  35.058    10.313    43.771    14.826    26.891    14.355    17.688  3.2492  13.818  3.7725  3.869526       4.978870 
1 1 1 11  12  20 o 62.774  2.0700  534.460   34.797    549.082   49.345    519.997   49.076    63.636  2.8950  61.911  2.9595  1.725452       4.139995 
1 1 1 11  12  21 o 60.336  2.0714  495.530   33.353    532.245   47.417    459.577   46.922    62.617  2.8272  58.054  3.0281  4.563583       4.142721 
1 1 1 11  12  22 o 51.976  2.0428  368.963   28.300    388.904   40.174    349.319   39.873    53.398  2.8188  50.554  2.9576  2.844658       4.085690 
1 1 1 11  12  23 o 53.684  2.0812  394.884   29.809    400.381   42.249    389.435   42.064    54.063  2.9285  53.305  2.9578  0.7582359      4.162302 
1 1 1 11  12  24 o 23.711  2.3375  79.020    14.407    73.738    20.435    84.240    20.316    22.864  3.4435  24.558  3.1620  -1.693832      4.675061 
1 1 1 11  12  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  12  26 o 54.410  2.1301  411.509   30.921    407.902   43.560    415.172   43.900    54.167  3.0142  54.652  3.0106  -0.4843063     4.260187 
1 1 1 11  12  27 f 35.048  2.1891  172.926   20.300    162.813   28.827    182.873   28.591    33.963  3.2068  36.132  2.9809  -2.168713      4.378277 
1 1 1 11  12  28 o 44.832  2.1521  282.988   25.601    309.889   36.389    256.622   36.025    47.049  2.9017  42.615  3.1790  4.434254       4.304156 
1 1 1 11  12  29 o 6.1471  2.0566  -13.6059  8.9763    -12.9490  12.653    -14.2713  12.736    6.1951  2.9229  6.0991  2.8938  0.9595966E-01  4.113114 
1 1 1 11  12  30 o 11.468  2.8819  16.843    11.572    25.172    16.292    8.3619    16.441    13.033  4.1468  9.9035  4.0033  3.129520       5.763870 
1 1 1 11  12  31 o 12.069  2.9399  19.868    12.126    9.5749    17.197    30.046    17.101    10.157  4.0984  13.980  4.2161  -3.823130      5.879802 
1 1 1 11  12  32 o 25.113  2.6732  96.210    17.206    110.738   24.202    81.364    24.466    27.360  3.3741  22.866  4.1474  4.494120       5.346493 
1 1 1 11  13  0  o 123.507 2.6967  2048.28   89.195    2078.01   125.674   2018.11   126.611   124.414 3.7713  122.601 3.8556  1.813156       5.393336 
1 1 1 11  13  1  o 89.969  2.2458  1085.93   54.116    1086.84   76.222    1085.01   76.846    90.008  3.1617  89.930  3.1903  0.7754517E-01  4.491530 
1 1 1 11  13  2  o 163.186 3.3580  3582.29   146.686   3716.28   207.085   3447.36   207.808   166.263 4.6501  160.109 4.8457  6.154617       6.715990 
1 1 1 11  13  3  o 151.127 3.1410  3069.82   127.127   3002.08   179.327   3138.25   180.244   149.446 4.4799  152.807 4.4038  -3.361191      6.281989 
1 1 1 11  13  4  o 252.915 4.9409  8647.19   334.711   8624.74   473.135   8669.69   473.572   252.584 6.9934  253.246 6.9816  -0.6613617     9.881825 
1 1 1 11  13  5  o 83.724  2.2082  940.868   49.503    969.255   70.019    912.498   69.998    84.990  3.0758  82.459  3.1693  2.530869       4.416434 
1 1 1 11  13  6  o 162.207 3.3784  3541.97   146.776   3503.46   207.622   3580.45   207.523   161.321 4.8050  163.094 4.7505  -1.772324      6.756878 
1 1 1 11  13  7  o 173.046 3.5011  4035.23   162.273   4009.46   229.686   4060.92   229.291   172.490 4.9714  173.602 4.9311  -1.112061      7.002220 
1 1 1 11  13  8  o 52.037  1.9539  364.685   27.112    348.528   38.393    380.759   38.293    50.877  2.8285  53.197  2.6963  -2.319878      3.907744 
1 1 1 11  13  9  o 63.746  1.9985  545.764   34.117    537.354   48.420    554.056   48.079    63.256  2.8578  64.236  2.7944  -0.9793816     3.996973 
1 1 1 11  13  10 o 66.469  2.0592  593.680   36.659    590.857   52.060    596.458   51.631    66.311  2.9311  66.627  2.8931  -0.3164368     4.118435 
1 1 1 11  13  11 o 110.272 2.5958  1638.60   76.668    1642.71   108.704   1634.53   108.149   110.409 3.6758  110.136 3.6661  0.2734375      5.191515 
1 1 1 11  13  12 o 49.226  1.9470  326.830   25.567    331.899   36.381    321.884   35.939    49.605  2.7489  48.847  2.7582  0.7576523      3.894100 
1 1 1 11  13  13 o 51.549  1.9564  358.615   26.876    383.815   38.385    334.381   37.643    53.340  2.6954  49.758  2.8362  3.582840       3.912706 
1 1 1 11  13  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  13  15 f 40.516  1.9463  222.917   20.938    208.107   29.936    237.099   29.295    39.168  2.8735  41.863  2.6260  -2.694221      3.892626 
1 1 1 11  13  16 o 56.521  1.9953  431.949   30.158    436.386   42.874    427.605   42.428    56.844  2.8159  56.198  2.8277  0.6457825      3.990682 
1 1 1 11  13  17 o 15.615  2.5070  34.486    10.240    33.222    14.823    35.639    14.163    15.326  3.6610  15.905  3.4258  -0.5782328     5.013901 
1 1 1 11  13  18 o 19.922  2.2759  55.106    11.718    57.220    17.059    53.218    16.125    20.285  3.2495  19.560  3.1876  0.7250805      4.551898 
1 1 1 11  13  19 o 26.699  2.1084  97.815    14.663    115.553   21.255    81.708    20.254    29.081  2.7619  24.317  3.1863  4.763409       4.216758 
1 1 1 11  13  20 o 19.483  2.4413  53.988    12.158    43.591    17.410    63.885    16.985    17.498  3.8216  21.468  3.0387  -3.970228      4.882506 
1 1 1 11  13  21 o 28.642  2.1305  112.958   16.093    115.826   23.167    110.283   22.373    28.993  3.0279  28.291  2.9981  0.7017994      4.261070 
1 1 1 11  13  22 o 50.125  2.0589  344.882   27.458    319.806   38.925    369.719   38.739    48.257  3.0268  51.993  2.7920  -3.736134      4.117879 
1 1 1 11  13  23 o 23.228  2.3280  75.966    14.026    72.645    20.380    78.954    19.332    22.680  3.4647  23.777  3.1101  -1.096470      4.655900 
1 1 1 11  13  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  13  25 o 26.900  2.3481  102.781   16.331    120.798   23.288    85.347    22.908    29.388  3.0006  24.412  3.6124  4.975910       4.696104 
1 1 1 11  13  26 o 12.648  2.8589  22.816    11.048    18.695    15.871    26.690    15.389    11.802  4.1019  13.494  3.9835  -1.692472      5.717852 
1 1 1 11  13  27 o 24.575  2.4783  86.724    15.669    104.302   22.944    71.361    21.450    27.064  3.2288  22.086  3.7607  4.978462       4.956666 
1 1 1 11  13  28 o 50.844  2.1982  365.405   29.688    331.506   41.863    399.699   42.107    48.339  3.2522  53.349  2.9583  -5.010521      4.396411 
1 1 1 11  13  29 o 19.363  2.8836  57.252    14.591    39.957    20.470    75.111    20.802    16.064  4.5505  22.661  3.5431  -6.597406      5.767216 
1 1 1 11  13  30 o 11.811  2.8105  17.442    11.879    1.1339    16.936    33.235    16.667    8.9251  3.8600  14.698  4.0860  -5.772581      5.620968 
1 1 1 11  13  31 o 8.6304  3.7446  1.1310    16.041    1.1310    16.041    0.0000    0.0000    8.6304  3.7446  ?       ?       ?              ?        
1 1 1 11  14  0  o 115.933 2.5833  1804.51   80.209    1820.14   112.973   1788.63   113.899   116.442 3.6222  115.425 3.6841  1.016968       5.166539 
1 1 1 11  14  1  o 255.010 4.8866  8788.94   333.682   9013.30   471.437   8563.70   472.360   258.303 6.8140  251.716 7.0060  6.586731       9.773220 
1 1 1 11  14  2  o 34.298  1.8681  158.894   17.004    166.604   23.888    150.974   24.210    35.156  2.5544  33.440  2.7267  1.715279       3.736283 
1 1 1 11  14  3  o 142.878 3.0720  2744.78   117.553   2696.33   165.811   2793.75   166.683   141.607 4.3716  144.150 4.3171  -2.542587      6.143920 
1 1 1 11  14  4  o 125.607 2.7742  2120.36   93.332    2100.73   131.755   2140.13   132.230   125.022 3.9345  126.192 3.9121  -1.169502      5.548403 
1 1 1 11  14  5  o 140.818 3.0272  2668.09   114.177   2685.97   161.383   2650.18   161.558   141.293 4.2643  140.343 4.2978  0.9496460      6.054389 
1 1 1 11  14  6  o 79.103  2.1634  840.292   45.837    848.557   64.817    832.024   64.828    79.493  3.0442  78.713  3.0749  0.7803650      4.326884 
1 1 1 11  14  7  o 49.025  1.9382  323.754   25.343    317.527   35.987    329.881   35.695    48.552  2.7788  49.498  2.7026  -0.9459686     3.876324 
1 1 1 11  14  8  o 17.194  2.5574  41.786    11.526    26.270    16.141    57.927    16.463    13.854  4.0768  20.535  3.0889  -6.681094      5.114820 
1 1 1 11  14  9  o 72.619  2.1027  709.004   40.898    706.325   57.974    711.658   57.703    72.481  2.9862  72.757  2.9610  -0.2754974     4.205349 
1 1 1 11  14  10 o 21.147  2.2209  62.260    11.982    49.705    17.053    74.504    16.840    18.910  3.4954  23.383  2.7407  -4.472830      4.441808 
1 1 1 11  14  11 o 24.473  2.0886  82.127    13.321    72.646    18.896    91.494    18.781    23.012  3.1483  25.935  2.7453  -2.923731      4.177128 
1 1 1 11  14  12 o 50.929  2.7974  350.359   38.014    350.359   38.014    0.0000    0.0000    50.929  2.7974  ?       ?       ?              ?        
1 1 1 11  14  13 o 70.955  4.0586  685.763   76.814    0.0000    0.0000    685.763   76.814    ?       ?       70.955  4.0586  ?              ?        
1 1 1 11  14  14 o 61.891  2.0725  517.399   34.350    510.987   48.853    523.669   48.307    61.506  2.9654  62.277  2.8960  -0.7708435     4.144938 
1 1 1 11  14  15 o 79.814  2.2226  862.421   47.513    871.325   67.502    853.677   66.890    80.223  3.1415  79.405  3.1450  0.8175430      4.445213 
1 1 1 11  14  16 o 56.183  2.0282  427.433   30.446    448.352   43.491    407.329   42.636    57.579  2.8200  54.788  2.9159  2.790592       4.056457 
1 1 1 11  14  17 o 78.485  2.2248  836.447   46.751    811.092   66.240    861.613   65.993    77.281  3.2000  79.688  3.0918  -2.407211      4.449652 
1 1 1 11  14  18 o 22.141  2.2767  67.984    13.101    69.542    18.870    66.534    18.202    22.385  3.2416  21.897  3.1978  0.4881554      4.553405 
1 1 1 11  14  19 o 74.230  2.2068  750.724   43.870    768.551   62.238    733.120   61.846    75.117  3.0933  73.343  3.1482  1.773933       4.413639 
1 1 1 11  14  20 o 22.343  2.3378  69.826    13.512    77.320    19.237    62.529    18.983    23.599  3.1200  21.087  3.4825  2.512094       4.675696 
1 1 1 11  14  21 o 47.212  2.0770  305.917   26.130    301.609   37.099    310.158   36.808    46.869  2.9706  47.556  2.9036  -0.6878204     4.153956 
1 1 1 11  14  22 o 29.990  2.1918  124.794   17.289    138.464   24.918    112.106   24.007    31.629  2.9764  28.352  3.2184  3.276951       4.383698 
1 1 1 11  14  23 o 7.2214  3.1998  -3.4822   12.280    0.0000    0.0000    -3.4822   12.280    ?       ?       7.2214  3.1998  ?              ?        
1 1 1 11  14  24 o 29.798  2.2199  125.028   17.354    138.014   24.514    111.983   24.570    31.450  2.9443  28.147  3.3232  3.303583       4.439891 
1 1 1 11  14  25 o 9.9523  2.7098  10.076    10.265    7.0346    14.534    13.103    14.499    9.4007  3.7766  10.504  3.8871  -1.103164      5.419604 
1 1 1 11  14  26 o 17.721  2.8346  46.926    13.241    57.737    18.950    36.611    18.509    19.854  3.6996  15.587  4.2955  4.266379       5.669134 
1 1 1 11  14  27 o 33.526  2.3061  160.546   20.179    188.874   28.814    133.281   28.268    36.633  2.9619  30.420  3.5353  6.213049       4.612124 
1 1 1 11  14  28 o 27.171  2.6402  109.734   17.956    77.896    25.189    142.626   25.603    22.667  4.3064  31.674  3.0557  -9.007782      5.280377 
1 1 1 11  14  29 o 19.894  2.9104  61.292    15.108    40.710    21.110    82.905    21.632    16.050  4.6450  23.738  3.5079  -7.687904      5.820768 
1 1 1 11  14  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  15  0  o 61.486  1.9066  507.008   31.398    499.309   44.140    514.893   44.671    61.014  2.7010  61.959  2.6917  -0.9451675     3.813216 
1 1 1 11  15  1  o 96.193  2.3567  1242.76   60.694    1277.37   85.529    1207.65   86.143    97.547  3.2735  94.839  3.3911  2.707565       4.713313 
1 1 1 11  15  2  o 201.729 3.9811  5491.58   215.105   5521.55   303.672   5461.40   304.740   202.288 5.6046  201.170 5.6556  1.118652       7.962237 
1 1 1 11  15  3  o 53.792  1.9096  388.805   27.464    391.126   38.626    386.431   39.059    53.991  2.6710  53.594  2.7299  0.3964996      3.819260 
1 1 1 11  15  4  f 121.311 2.7143  1980.02   88.134    1889.32   124.287   2071.75   124.996   118.505 3.9156  124.116 3.7599  -5.611534      5.428536 
1 1 1 11  15  5  o 26.738  2.0312  97.368    14.181    82.568    19.830    112.857   20.287    24.601  3.0768  28.874  2.6528  -4.273155      4.062479 
1 1 1 11  15  6  o 72.636  2.1232  709.005   41.304    697.251   58.315    720.839   58.512    72.031  3.0226  73.242  2.9826  -1.211555      4.246381 
1 1 1 11  15  7  o 57.274  1.9776  441.578   30.261    423.000   42.834    460.091   42.758    56.029  2.8638  58.519  2.7280  -2.489990      3.955137 
1 1 1 11  15  8  o 78.086  2.1812  820.493   45.620    816.834   64.606    824.131   64.428    77.911  3.0959  78.261  3.0735  -0.3498993     4.362443 
1 1 1 11  15  9  o 81.097  2.2405  885.919   48.667    887.241   69.033    884.612   68.621    81.156  3.1758  81.038  3.1614  0.1181717      4.481086 
1 1 1 11  15  10 o 75.664  2.7856  775.196   52.088    773.500   62.773    778.948   93.337    75.751  3.0938  75.577  4.6331  0.1734009      5.571133 
1 1 1 11  15  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  15  12 f 64.707  2.0859  565.213   36.117    598.112   51.440    533.224   50.723    66.575  2.8847  62.839  3.0137  3.736683       4.171748 
1 1 1 11  15  13 o 45.168  2.0065  276.451   24.115    297.358   34.524    256.531   33.698    46.855  2.7631  43.480  2.9103  3.374809       4.013022 
1 1 1 11  15  14 o 36.804  1.9840  184.293   19.387    177.097   27.681    191.221   27.161    36.078  2.8887  37.530  2.7204  -1.452042      3.968072 
1 1 1 11  15  15 o 55.964  2.0442  424.744   30.560    408.254   43.336    441.057   43.102    54.829  2.9619  57.099  2.8183  -2.270096      4.088439 
1 1 1 11  15  16 o 36.647  2.0201  183.008   19.671    183.679   28.006    182.354   27.635    36.711  2.8711  36.584  2.8426  0.1273117      4.040219 
1 1 1 11  15  17 o 46.224  2.0174  291.112   24.843    283.525   35.361    298.508   34.910    45.612  2.9095  46.837  2.7955  -1.224728      4.034879 
1 1 1 11  15  18 o 70.428  2.1831  675.969   41.175    692.501   58.507    659.747   57.957    71.291  3.0640  69.566  3.1104  1.724586       4.366104 
1 1 1 11  15  19 o 60.439  2.1069  499.301   34.035    485.337   48.222    513.162   48.045    59.539  3.0339  61.338  2.9243  -1.799423      4.213814 
1 1 1 11  15  20 o 33.930  2.1193  159.050   19.024    152.361   27.328    165.340   26.499    33.194  3.1099  34.665  2.8800  -1.471649      4.238680 
1 1 1 11  15  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  15  22 o 18.261  2.7377  48.573    12.969    46.827    18.638    50.212    18.059    17.898  3.9897  18.623  3.7500  -0.7250824     5.475404 
1 1 1 11  15  23 o 50.601  2.1347  356.676   28.770    341.665   40.903    371.374   40.475    49.490  3.1013  51.711  2.9343  -2.220947      4.269431 
1 1 1 11  15  24 o 37.283  2.1720  195.056   21.490    193.344   30.678    196.705   30.114    37.096  3.1164  37.469  3.0264  -0.3724251     4.344084 
1 1 1 11  15  25 o 14.346  2.9948  30.652    12.411    25.789    17.781    35.272    17.332    13.349  4.3406  15.344  4.1273  -1.995036      5.989614 
1 1 1 11  15  26 o 5.6726  1.9265  -17.0093  8.5716    -21.6838  12.457    -12.8057  11.813    5.4132  2.6401  5.9319  2.8064  -0.5186472     3.853070 
1 1 1 11  15  27 o 32.271  2.3992  150.128   20.289    168.978   28.930    131.884   28.461    34.423  3.1735  30.120  3.5991  4.302734       4.798339 
1 1 1 11  15  28 o 10.745  2.7603  11.646    11.476    -3.1296   16.165    26.664    16.296    8.2190  3.6551  13.272  4.1373  -5.052583      5.520601 
1 1 1 11  16  0  o 23.741  2.0646  76.887    12.831    80.633    18.032    73.046    18.261    24.350  2.8167  23.132  3.0194  1.218239       4.129236 
1 1 1 11  16  1  o 60.159  1.9435  486.104   31.292    503.968   44.015    467.848   44.497    61.281  2.6815  59.038  2.8139  2.243027       3.886991 
1 1 1 11  16  2  o 86.003  2.2299  994.458   51.321    1037.09   72.322    951.210   72.839    87.868  3.0729  84.138  3.2321  3.730263       4.459734 
1 1 1 11  16  3  o 90.944  2.2883  1111.89   55.733    1125.84   78.487    1097.70   79.154    91.523  3.2017  90.365  3.2703  1.157875       4.576614 
1 1 1 11  16  4  o 46.243  1.9392  288.196   23.909    283.034   33.630    293.472   33.998    45.822  2.7529  46.664  2.7320  -0.8424149     3.878381 
1 1 1 11  16  5  o 29.016  2.0054  114.911   15.194    134.709   21.584    95.466    21.392    31.565  2.5754  26.468  3.0747  5.097202       4.010831 
1 1 1 11  16  6  o 40.652  1.8981  223.106   20.545    230.243   29.130    216.042   28.982    41.307  2.6468  39.998  2.7214  1.308563       3.796254 
1 1 1 11  16  7  o 61.216  2.0222  504.348   33.151    494.273   47.003    514.319   46.763    60.604  2.8956  61.828  2.8238  -1.224037      4.044495 
1 1 1 11  16  8  o 95.351  4.6291  1235.08   118.226   1235.08   118.226   0.0000    0.0000    95.351  4.6291  ?       ?       ?              ?        
1 1 1 11  16  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  16  10 o 26.348  2.0477  94.787    14.178    102.622   20.224    87.217    19.881    27.449  2.7895  25.246  2.9986  2.202677       4.095492 
1 1 1 11  16  11 o 33.186  1.9798  149.631   17.417    158.364   24.871    141.227   24.397    34.152  2.7420  32.220  2.8567  1.932850       3.959652 
1 1 1 11  16  12 o 46.410  2.0255  291.862   25.015    315.274   35.958    269.906   34.822    48.233  2.7953  44.588  2.9321  3.644775       4.051075 
1 1 1 11  16  13 o 51.867  2.0292  365.146   28.066    355.305   39.968    374.720   39.419    51.162  2.9288  52.573  2.8095  -1.411114      4.058465 
1 1 1 11  16  14 o 29.495  2.0854  118.931   16.187    132.508   23.272    106.207   22.530    31.167  2.8183  27.823  3.0746  3.344225       4.170824 
1 1 1 11  16  15 o 19.597  2.4212  53.874    12.227    58.055    17.246    49.649    17.336    20.416  3.2636  18.778  3.5774  1.638050       4.842426 
1 1 1 11  16  16 o 98.821  2.5296  1336.74   66.929    1296.34   94.836    1376.83   94.469    97.297  3.6390  100.346 3.5148  -3.049126      5.059288 
1 1 1 11  16  17 f 14.416  2.7259  29.188    10.797    35.947    15.984    23.517    14.641    15.853  3.8114  12.980  3.8982  2.873125       5.451882 
1 1 1 11  16  18 o 16.056  2.6692  38.414    11.632    22.872    17.319    51.184    15.700    13.018  4.2864  19.094  3.1818  -6.075455      5.338303 
1 1 1 11  16  19 o 17.499  2.7140  43.543    12.425    56.147    18.463    33.110    16.798    19.862  3.6032  15.136  4.0596  4.725779       5.428021 
1 1 1 11  16  20 o 14.388  4.1253  29.932    16.721    0.0000    0.0000    29.932    16.721    ?       ?       14.388  4.1253  ?              ?        
1 1 1 11  16  21 f 37.244  2.1249  192.792   21.015    189.869   29.550    195.783   29.891    36.953  3.0117  37.534  2.9983  -0.5804596     4.249712 
1 1 1 11  16  22 o 10.906  2.6609  12.360    10.849    -3.9243   15.694    27.263    15.014    8.1493  3.6139  13.662  3.9065  -5.512839      5.321752 
1 1 1 11  16  23 o 6.6439  2.1241  -11.0886  8.6762    -23.4416  12.011    2.3919    12.547    5.1539  2.5300  8.1340  3.4126  -2.980168      4.248152 
1 1 1 11  16  24 o 17.411  2.9351  45.711    13.641    35.848    19.366    55.423    19.217    15.426  4.4445  19.396  3.8349  -3.970743      5.870245 
1 1 1 11  16  25 o 32.995  2.3461  155.143   20.441    157.913   29.491    152.581   28.359    33.257  3.3566  32.732  3.2787  0.5247231      4.692217 
1 1 1 11  16  26 o 19.290  2.9009  56.350    14.521    58.285    20.194    54.278    20.895    19.710  3.9625  18.869  4.2378  0.8408070      5.801754 
1 1 1 11  16  27 o 16.364  3.0728  42.382    13.969    32.425    20.457    51.080    19.119    14.455  4.6518  18.272  4.0161  -3.817260      6.145558 
1 1 1 11  17  0  o 52.013  1.8979  363.805   26.380    375.052   37.308    352.559   37.306    52.856  2.6352  51.169  2.7319  1.686394       3.795716 
1 1 1 11  17  1  o 43.778  1.9097  258.698   22.248    272.505   31.283    244.568   31.646    44.975  2.6081  42.580  2.7902  2.395134       3.819348 
1 1 1 11  17  2  o 28.489  2.0015  110.285   15.041    116.904   21.189    103.563   21.354    29.375  2.7241  27.604  2.9330  1.770174       4.002903 
1 1 1 11  17  3  o 56.714  1.9288  432.223   29.299    426.819   41.193    437.755   41.682    56.356  2.7290  57.073  2.7266  -0.7176018     3.857686 
1 1 1 11  17  4  o 18.647  2.2971  48.166    11.045    44.544    15.479    51.924    15.764    17.899  3.3519  19.396  3.1418  -1.497736      4.594179 
1 1 1 11  17  5  o 41.145  1.9051  228.793   20.856    216.070   29.441    241.607   29.547    39.982  2.7662  42.308  2.6203  -2.325970      3.810262 
1 1 1 11  17  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  17  7  o 14.574  3.1111  29.049    12.065    25.307    24.610    30.233    13.842    14.483  5.1031  14.664  3.5600  -0.1810646     6.222152 
1 1 1 11  17  8  o 54.343  1.9660  399.193   28.520    395.517   40.332    402.870   40.335    54.090  2.7934  54.597  2.7673  -0.5064659     3.931998 
1 1 1 11  17  9  o 50.883  1.9848  350.421   26.946    352.764   38.191    348.097   38.024    51.053  2.8036  50.712  2.8104  0.3411331      3.969647 
1 1 1 11  17  10 o 39.146  1.9710  207.932   20.526    214.185   29.197    201.821   28.861    39.736  2.7604  38.556  2.8141  1.179371       3.941948 
1 1 1 11  17  11 o 37.759  1.9925  193.764   20.005    192.564   28.382    194.949   28.200    37.639  2.8361  37.880  2.7993  -0.2407150     3.984914 
1 1 1 11  17  12 o 25.261  2.2100  87.716    14.498    102.491   20.990    74.236    20.050    27.367  2.9080  23.154  3.3286  4.213078       4.419991 
1 1 1 11  17  13 o 54.070  2.0786  397.504   29.982    395.068   42.830    399.845   41.985    53.896  2.9784  54.243  2.9002  -0.3472710     4.157202 
1 1 1 11  17  14 o 45.410  2.0404  281.241   24.655    271.088   35.328    290.882   34.425    44.583  2.9755  46.237  2.7928  -1.654381      4.080884 
1 1 1 11  17  15 o 21.796  2.3756  66.417    13.399    64.620    19.370    68.066    18.554    21.474  3.4874  22.118  3.2268  -0.6443577     4.751262 
1 1 1 11  17  16 o 33.121  2.1381  151.361   18.551    177.544   26.539    126.347   25.940    36.022  2.7719  30.221  3.2560  5.801319       4.276103 
1 1 1 11  17  17 o 67.586  2.2276  626.397   40.319    617.813   57.274    634.830   56.768    67.109  3.1863  68.063  3.1139  -0.9542618     4.455197 
1 1 1 11  17  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  17  19 o 37.272  2.1559  192.820   21.321    188.716   30.446    196.770   29.867    36.853  3.1136  37.691  2.9828  -0.8383751     4.311744 
1 1 1 11  17  20 o 21.972  2.6423  69.648    14.652    96.042    21.528    46.874    19.998    26.146  3.1367  17.798  4.2531  8.348167       5.284673 
1 1 1 11  17  21 o 28.384  2.3325  114.049   17.383    109.224   24.653    118.820   24.514    27.739  3.3885  29.029  3.2064  -1.289995      4.665099 
1 1 1 11  17  22 o 35.809  2.2349  180.878   21.108    161.633   29.765    200.347   29.938    33.780  3.3332  37.838  2.9780  -4.058674      4.469738 
1 1 1 11  17  23 o 27.974  2.4710  113.369   17.803    95.418    25.634    130.096   24.745    25.588  3.8603  30.361  3.0858  -4.773266      4.942050 
1 1 1 11  17  24 o 7.6672  2.3707  -9.8359   9.9494    8.8927    15.392    -23.2765  13.040    9.8425  3.9091  5.4918  2.6834  4.350709       4.741471 
1 1 1 11  17  25 o 21.443  2.9395  73.064    16.134    41.919    23.419    101.201   22.260    16.335  4.9356  26.552  3.1940  -10.21711      5.878956 
1 1 1 11  17  26 o 30.735  3.6486  139.493   29.449    139.493   29.449    0.0000    0.0000    30.735  3.6486  ?       ?       ?              ?        
1 1 1 11  18  0  o 80.777  2.1699  877.977   46.932    896.875   66.047    858.702   66.701    81.661  3.0196  79.893  3.1170  1.767830       4.339766 
1 1 1 11  18  1  o 67.457  2.0202  611.949   36.500    610.805   51.336    613.119   51.907    67.394  2.8439  67.519  2.8702  -0.1249542     4.040495 
1 1 1 11  18  2  o 62.702  2.0203  529.009   33.927    531.824   47.739    526.135   48.224    62.873  2.8348  62.531  2.8792  0.3416748      4.040541 
1 1 1 11  18  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  18  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  18  5  o 17.137  2.4031  41.060    10.640    38.305    14.944    43.892    15.152    16.528  3.4854  17.747  3.3092  -1.219372      4.806141 
1 1 1 11  18  6  o 63.206  2.0415  539.032   34.554    526.356   48.870    551.705   48.863    62.457  2.9213  63.955  2.8525  -1.497360      4.082942 
1 1 1 11  18  7  o 37.912  1.9270  194.846   19.437    193.235   27.326    196.495   27.653    37.754  2.7205  38.071  2.7300  -0.3169746     3.854086 
1 1 1 11  18  8  f 68.388  2.1010  632.245   38.484    635.075   54.328    629.396   54.522    68.545  2.9591  68.232  2.9833  0.3123245      4.201913 
1 1 1 11  18  9  o 26.072  2.1064  93.155    14.437    95.814    20.345    90.458    20.489    26.463  2.9189  25.680  3.0376  0.7822113      4.212714 
1 1 1 11  18  10 o 40.936  2.0002  228.162   21.711    205.322   30.618    251.260   30.790    38.833  2.9661  43.040  2.6842  -4.207024      4.000364 
1 1 1 11  18  11 o 42.549  2.0149  246.298   22.822    240.306   32.404    252.196   32.147    42.022  2.8966  43.075  2.8015  -1.053421      4.029766 
1 1 1 11  18  12 o 53.987  2.0678  396.632   29.783    390.254   42.337    402.881   41.905    53.545  2.9635  54.430  2.8847  -0.8846359     4.135653 
1 1 1 11  18  13 o 40.306  2.0465  221.758   21.929    233.507   31.247    210.357   30.782    41.378  2.8365  39.234  2.9508  2.143913       4.093047 
1 1 1 11  18  14 o 26.239  2.2501  95.797    15.237    114.806   21.792    77.615    21.313    28.916  2.8507  23.561  3.4822  5.355661       4.500203 
1 1 1 11  18  15 o 42.386  2.0915  246.387   23.594    249.428   33.657    243.448   33.086    42.642  2.9652  42.130  2.9506  0.5115929      4.183097 
1 1 1 11  18  16 o 28.516  4.0867  115.526   30.322    115.526   30.322    0.0000    0.0000    28.516  4.0867  ?       ?       ?              ?        
1 1 1 11  18  17 o 14.186  2.9256  28.918    11.790    29.725    17.139    28.192    16.244    14.365  4.1934  14.007  4.0806  0.3581944      5.851176 
1 1 1 11  18  18 o 11.960  2.9022  18.760    11.293    22.516    16.173    15.186    15.776    12.725  4.1399  11.195  4.0686  1.530655       5.804494 
1 1 1 11  18  19 o 20.043  2.7130  58.122    14.012    64.597    20.564    52.510    19.144    21.128  3.7721  18.957  3.9004  2.171026       5.426059 
1 1 1 11  18  20 o 26.273  2.4166  98.341    16.583    93.991    23.509    102.649   23.394    25.642  3.5155  26.903  3.3167  -1.261696      4.833173 
1 1 1 11  18  21 o 20.306  2.7923  61.050    14.591    55.598    21.284    65.883    20.042    19.299  4.2339  21.313  3.6416  -2.014442      5.584501 
1 1 1 11  18  22 o 22.897  2.6933  76.683    15.912    81.151    22.379    72.114    22.630    23.661  3.6484  22.132  3.9630  1.528954       5.386653 
1 1 1 11  18  23 o 15.106  2.8428  32.176    14.123    2.5238    20.139    60.870    19.811    9.9053  4.2457  20.307  3.7814  -10.40190      5.685522 
1 1 1 11  18  24 o 12.506  3.1459  21.835    13.250    21.701    19.104    21.959    18.393    12.513  4.4868  12.499  4.4110  0.1311779E-01  6.291888 
1 1 1 11  18  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  19  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  19  1  o 97.824  4.6748  1301.10   122.490   0.0000    0.0000    1301.10   122.490   ?       ?       97.824  4.6748  ?              ?        
1 1 1 11  19  2  o 8.8494  2.3334  7.2164    7.6740    2.0275    10.871    12.370    10.834    7.7342  3.2051  9.9646  3.3920  -2.230418      4.666714 
1 1 1 11  19  3  o 62.003  2.0004  518.388   33.172    481.823   46.551    556.110   47.282    59.770  2.9077  64.237  2.7480  -4.466667      4.000832 
1 1 1 11  19  4  o 44.501  1.9103  268.277   22.609    247.405   31.913    289.310   32.036    42.738  2.8033  46.265  2.5957  -3.526970      3.820510 
1 1 1 11  19  5  o 76.188  2.1751  784.659   44.384    770.142   62.565    799.366   62.973    75.474  3.0949  76.902  3.0572  -1.427429      4.350283 
1 1 1 11  19  6  o 45.663  1.9703  282.718   23.956    298.486   33.968    267.115   33.791    46.949  2.7128  44.377  2.8581  2.571804       3.940529 
1 1 1 11  19  7  f 54.941  2.0222  408.908   29.645    380.914   41.773    437.313   42.078    52.987  2.9551  56.895  2.7612  -3.908489      4.044319 
1 1 1 11  19  8  o 40.877  1.9714  226.963   21.437    215.389   30.140    238.812   30.495    39.805  2.8457  41.948  2.7290  -2.142597      3.942750 
1 1 1 11  19  9  o 32.372  2.0368  142.902   17.464    135.850   24.369    150.346   25.039    31.538  2.9179  33.207  2.8426  -1.668652      4.073644 
1 1 1 11  19  10 o 18.657  2.5084  48.892    12.066    54.000    17.434    44.195    16.718    19.635  3.4403  17.679  3.6513  1.955204       5.016768 
1 1 1 11  19  11 o 26.920  2.1496  99.737    15.227    99.852    21.667    99.626    21.404    26.931  3.0579  26.909  3.0219  0.2216339E-01  4.299164 
1 1 1 11  19  12 o 24.297  2.2642  82.375    14.232    71.113    20.233    93.404    20.024    22.548  3.4607  26.046  2.9205  -3.497818      4.528336 
1 1 1 11  19  13 o 22.980  2.3527  73.764    14.059    72.636    19.771    74.918    19.997    22.797  3.3367  23.164  3.3178  -0.3668461     4.705444 
1 1 1 11  19  14 o 45.250  2.7681  274.475   30.154    259.007   35.437    315.061   57.401    43.384  3.0694  47.117  4.6073  -3.733177      5.536135 
1 1 1 11  19  15 o 46.925  3.0220  303.470   37.781    0.0000    0.0000    303.470   37.781    ?       ?       46.925  3.0220  ?              ?        
1 1 1 11  19  16 o 22.975  2.6005  77.143    15.021    56.227    21.599    96.737    20.905    19.606  4.2365  26.344  3.0170  -6.738150      5.201003 
1 1 1 11  19  17 o 13.805  2.7031  26.458    11.776    6.7016    16.870    45.233    16.446    9.9210  4.0389  17.689  3.5938  -7.767701      5.406291 
1 1 1 11  19  18 o 25.450  2.4196  91.703    15.911    108.927   23.287    76.621    21.791    27.813  3.1833  23.088  3.6447  4.724463       4.839171 
1 1 1 11  19  19 o 21.478  2.7480  67.374    15.156    79.914    21.834    55.712    21.054    23.581  3.5683  19.374  4.1800  4.207197       5.495910 
1 1 1 11  19  20 o 31.031  2.4207  136.717   19.621    158.726   28.487    116.851   27.065    33.533  3.2109  28.529  3.6235  5.003912       4.841443 
1 1 1 11  19  21 f 11.785  3.0325  16.414    12.950    6.4596    18.301    26.397    18.327    10.078  4.1659  13.491  4.4078  -3.413548      6.064973 
1 1 1 11  19  22 o 23.910  2.8227  85.612    17.261    73.474    24.972    96.718    23.886    22.004  4.3910  25.817  3.5481  -3.812466      5.645325 
1 1 1 11  19  23 o 9.3370  2.5562  -0.7738   11.522    -28.2088  17.064    22.215    15.621    6.3412  3.0921  12.333  4.0713  -5.991596      5.112352 
1 1 1 11  20  0  o 57.145  1.9554  440.721   29.846    415.528   41.937    466.578   42.486    55.444  2.8334  58.845  2.6955  -3.400970      3.910751 
1 1 1 11  20  1  o 48.552  1.9130  318.705   24.774    309.702   34.823    327.931   35.252    47.852  2.7283  49.252  2.6823  -1.400436      3.825972 
1 1 1 11  20  2  o 36.955  1.9206  185.269   18.815    167.066   26.344    204.220   26.880    35.073  2.8284  38.838  2.5990  -3.765007      3.841161 
1 1 1 11  20  3  o 50.511  1.9678  345.512   26.513    351.807   37.360    339.126   37.632    50.983  2.7460  50.039  2.8193  0.9442787      3.935548 
1 1 1 11  20  4  o 54.331  1.9764  399.416   28.693    411.379   40.453    387.304   40.704    55.197  2.7362  53.465  2.8527  1.732277       3.952787 
1 1 1 11  20  5  o 19.201  2.3248  51.366    11.514    50.995    16.647    51.706    15.944    19.114  3.3748  19.287  3.1984  -0.1724167     4.649635 
1 1 1 11  20  6  o 47.161  1.9951  301.902   25.071    288.450   35.275    315.634   35.641    46.084  2.8720  48.238  2.7701  -2.153076      3.990243 
1 1 1 11  20  7  o 31.341  2.0923  134.307   17.348    138.001   24.460    130.568   24.609    31.790  2.9046  30.892  3.0124  0.8979111      4.184680 
1 1 1 11  20  8  o 107.927 2.6161  1591.92   75.623    1572.17   106.813   1611.76   107.081   107.245 3.7184  108.609 3.6809  -1.364113      5.232210 
1 1 1 11  20  9  o 40.980  2.0264  229.026   22.099    224.164   31.162    233.946   31.345    40.535  2.8891  41.426  2.8422  -0.8909569     4.052735 
1 1 1 11  20  10 o 25.552  2.2525  90.315    14.902    107.433   21.604    74.777    20.583    27.957  2.9286  23.147  3.4232  4.809696       4.504982 
1 1 1 11  20  11 o 24.692  2.3352  85.166    14.990    79.041    21.555    90.901    20.859    23.762  3.4908  25.622  3.1026  -1.860519      4.670341 
1 1 1 11  20  12 o 26.924  2.3225  100.903   16.381    106.527   23.277    95.386    23.056    27.704  3.1955  26.144  3.3711  1.559820       4.644930 
1 1 1 11  20  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  20  14 o 9.4279  2.6151  7.6647    9.7127    10.536    13.274    4.3556    14.249    9.8759  3.7064  8.9798  3.6902  0.8960762      5.230178 
1 1 1 11  20  15 o 11.962  2.7986  18.172    11.223    6.4393    16.074    29.333    15.678    9.7185  3.9478  14.205  3.9678  -4.486756      5.597218 
1 1 1 11  20  16 o 32.384  2.2754  147.352   19.438    140.783   27.823    153.616   27.169    31.618  3.3356  33.151  3.0956  -1.532249      4.550714 
1 1 1 11  20  17 o 40.143  2.2401  226.224   23.826    211.839   34.022    240.069   33.378    38.804  3.3049  41.482  3.0249  -2.678055      4.480168 
1 1 1 11  20  18 o 16.298  2.9723  39.950    13.291    30.355    19.161    48.847    18.451    14.383  4.4866  18.213  3.8999  -3.829627      5.944659 
1 1 1 11  20  19 f 21.859  2.8964  71.521    16.216    57.661    23.335    84.465    22.551    19.514  4.5486  24.204  3.5871  -4.689970      5.792827 
1 1 1 11  20  20 o 12.947  3.1071  21.683    13.632    35.842    19.827    8.9884    18.774    15.379  4.5163  10.515  4.2683  4.864118       6.214132 
1 1 1 11  20  21 f 43.947  2.3612  276.197   27.567    289.524   39.413    263.432   38.572    45.030  3.2906  42.865  3.3871  2.164616       4.722344 
1 1 1 11  20  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  21  0  o 23.364  2.1769  75.321    13.182    65.189    18.560    85.633    18.726    21.703  3.2965  25.025  2.8442  -3.321594      4.353869 
1 1 1 11  21  1  o 53.219  1.9671  383.591   27.936    388.796   39.282    378.265   39.737    53.593  2.7458  52.845  2.8176  0.7477226      3.934196 
1 1 1 11  21  2  o 47.133  1.9375  301.089   24.323    281.649   34.141    321.124   34.660    45.569  2.8109  48.698  2.6674  -3.129196      3.875031 
1 1 1 11  21  3  o 31.160  2.0285  133.142   16.606    149.351   23.329    116.494   23.643    33.150  2.6496  29.171  3.0722  3.979467       4.056901 
1 1 1 11  21  4  o 9.8692  2.4983  10.029    8.8145    17.608    12.538    2.6247    12.394    11.458  3.6371  8.2804  3.4261  3.177711       4.996614 
1 1 1 11  21  5  o 90.423  2.3568  1111.99   57.062    1074.59   80.290    1150.17   81.114    88.869  3.3730  91.976  3.2926  -3.106209      4.713606 
1 1 1 11  21  6  o 39.895  2.0123  216.965   21.334    203.844   30.075    230.254   30.267    38.656  2.9264  41.135  2.7631  -2.479916      4.024696 
1 1 1 11  21  7  o 33.566  2.0904  154.230   18.602    154.113   26.352    154.347   26.262    33.551  2.9628  33.580  2.9497  -0.2903748E-01 4.180759 
1 1 1 11  21  8  o 76.278  2.2460  793.909   45.876    771.219   64.725    816.816   65.033    75.166  3.2149  77.390  3.1373  -2.224937      4.491987 
1 1 1 11  21  9  o 34.532  2.0824  163.646   19.073    159.779   26.789    167.622   27.162    34.110  2.9615  34.953  2.9282  -0.8423882     4.164733 
1 1 1 11  21  10 o 42.384  2.9682  246.606   33.483    246.606   33.483    0.0000    0.0000    42.384  2.9682  ?       ?       ?              ?        
1 1 1 11  21  11 o 47.706  3.0172  313.145   38.355    0.0000    0.0000    313.145   38.355    ?       ?       47.706  3.0172  ?              ?        
1 1 1 11  21  12 o 23.473  2.4303  77.651    14.813    73.425    20.571    82.203    21.347    22.783  3.4815  24.162  3.3919  -1.379122      4.860596 
1 1 1 11  21  13 o 31.069  2.2476  135.180   18.298    117.664   25.763    153.011   25.994    28.928  3.3893  33.211  2.9530  -4.283089      4.495252 
1 1 1 11  21  14 o 15.659  2.6979  35.753    12.645    10.540    18.007    60.279    17.760    10.743  4.2403  20.575  3.3370  -9.832231      5.395886 
1 1 1 11  21  15 o 14.979  2.9837  33.157    12.713    40.469    17.693    25.354    18.279    16.559  4.0278  13.399  4.4031  3.159503       5.967447 
1 1 1 11  21  16 o 44.738  2.2640  281.270   26.795    248.336   37.754    314.698   38.036    41.962  3.3879  47.514  3.0041  -5.551785      4.528034 
1 1 1 11  21  17 o 18.052  2.9745  49.173    14.762    71.464    20.980    27.315    20.775    22.228  3.6507  13.877  4.6972  8.350753       5.949073 
1 1 1 11  21  18 o 14.289  3.1725  29.744    13.710    22.858    18.993    37.237    19.811    12.875  4.4865  15.702  4.4866  -2.826909      6.344956 
1 1 1 11  21  19 f 22.622  2.9594  77.170    17.189    66.183    24.635    87.593    23.994    20.799  4.5488  24.446  3.7869  -3.646820      5.918798 
1 1 1 11  21  20 o 32.173  7.3574  187.871   62.025    187.871   62.025    0.0000    0.0000    32.173  7.3574  ?       ?       ?              ?        
1 1 1 11  22  0  o 57.634  2.0010  449.957   30.817    466.104   43.506    433.698   43.657    58.721  2.7661  56.547  2.8921  2.173931       4.001931 
1 1 1 11  22  1  o 71.978  2.1394  702.486   41.217    726.658   57.996    677.817   58.588    73.249  2.9560  70.707  3.0936  2.541985       4.278817 
1 1 1 11  22  2  o 44.863  1.9768  273.621   23.619    283.781   33.294    263.327   33.511    45.719  2.7313  44.006  2.8586  1.713169       3.953635 
1 1 1 11  22  3  o 47.300  1.9930  304.148   25.122    291.453   35.307    317.165   35.752    46.286  2.8619  48.314  2.7744  -2.027824      3.985942 
1 1 1 11  22  4  o 82.085  2.2797  917.415   50.119    922.373   70.615    912.382   71.147    82.318  3.2027  81.853  3.2451  0.4646530      4.559371 
1 1 1 11  22  5  o 10.962  2.6040  14.469    9.6398    23.177    13.334    4.9333    13.953    12.847  3.6839  9.0764  3.6813  3.771058       5.207984 
1 1 1 11  22  6  o 22.786  2.3433  72.412    13.828    64.922    19.352    80.226    19.767    21.516  3.4765  24.057  3.1429  -2.541178      4.686512 
1 1 1 11  22  7  o 47.708  2.0854  311.797   26.492    324.905   37.296    298.449   37.636    48.752  2.8687  46.665  3.0275  2.087910       4.170764 
1 1 1 11  22  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  22  9  o 32.663  2.2422  148.362   19.288    137.129   27.657    158.997   26.912    31.385  3.3414  33.941  2.9908  -2.556082      4.484378 
1 1 1 11  22  10 o 63.399  2.2209  554.219   37.643    569.534   53.555    539.264   52.921    64.319  3.1087  62.478  3.1728  1.840546       4.441866 
1 1 1 11  22  11 o 59.567  2.1916  491.146   34.840    480.137   49.261    502.163   49.280    58.875  3.1351  60.259  3.0634  -1.383595      4.383273 
1 1 1 11  22  12 o 14.340  2.8144  29.645    12.372    46.022    16.993    11.172    18.047    17.822  3.6815  10.857  4.2578  6.965283       5.628723 
1 1 1 11  22  13 o 26.168  2.5042  97.754    17.033    89.813    24.223    105.520   23.955    25.016  3.7291  27.320  3.3434  -2.303795      5.008405 
1 1 1 11  22  14 o 26.846  2.6428  104.585   17.588    68.742    24.212    144.623   25.590    21.533  4.3477  32.159  3.0057  -10.62577      5.285579 
1 1 1 11  22  15 o 50.628  2.2644  359.224   30.522    340.951   42.863    378.020   43.473    49.272  3.2664  51.984  3.1369  -2.711334      4.528737 
1 1 1 11  22  16 o 18.153  3.0386  49.483    14.571    44.777    20.490    54.298    20.725    17.224  4.4195  19.083  4.1712  -1.859083      6.077114 
1 1 1 11  22  17 o 22.019  2.9215  72.260    16.543    59.720    23.037    85.610    23.770    19.834  4.4463  24.204  3.7909  -4.370407      5.843049 
1 1 1 11  22  18 o 17.934  3.1892  49.876    15.752    65.733    22.380    34.310    22.174    20.877  4.1485  14.991  4.8450  5.885487       6.378391 
1 1 1 11  23  0  f 106.544 2.5657  1549.89   73.203    1507.60   102.991   1593.07   104.068   105.058 3.6600  108.031 3.5965  -2.973068      5.131334 
1 1 1 11  23  1  o 51.793  2.0140  365.046   27.769    334.692   38.932    396.483   39.620    49.566  2.9457  54.020  2.7473  -4.453495      4.028000 
1 1 1 11  23  2  o 42.334  1.9847  244.246   22.376    241.622   31.483    246.924   31.808    42.103  2.8079  42.565  2.8057  -0.4618988     3.969431 
1 1 1 11  23  3  o 22.088  2.4494  69.192    13.670    50.457    19.162    88.611    19.508    18.813  3.9294  25.362  2.9253  -6.549011      4.898721 
1 1 1 11  23  4  o 24.089  2.3486  80.863    14.729    76.185    20.771    85.595    20.890    23.348  3.4230  24.830  3.2167  -1.482225      4.697265 
1 1 1 11  23  5  o 47.373  2.9806  307.562   37.628    307.562   37.628    0.0000    0.0000    47.373  2.9806  ?       ?       ?              ?        
1 1 1 11  23  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  23  7  o 52.402  2.1083  377.537   29.442    357.092   41.345    398.569   41.935    50.929  3.0448  53.874  2.9169  -2.945202      4.216561 
1 1 1 11  23  8  o 10.767  2.7188  11.579    10.872    -1.0586   15.453    23.967    15.300    8.5076  3.6833  13.027  4.0002  -4.519100      5.437672 
1 1 1 11  23  9  f 31.297  2.3463  137.926   19.148    158.560   27.071    117.266   27.089    33.790  3.0230  28.804  3.5890  4.986547       4.692502 
1 1 1 11  23  10 o 61.925  2.2496  532.747   37.169    495.598   52.336    570.553   52.797    59.631  3.2895  64.218  3.0695  -4.587513      4.499156 
1 1 1 11  23  11 o 31.250  2.2840  137.112   18.830    143.219   26.843    131.196   26.421    31.964  3.1774  30.536  3.2819  1.428375       4.568019 
1 1 1 11  23  12 o 32.375  2.3372  147.255   19.872    128.984   27.362    167.652   28.909    30.167  3.4483  34.582  3.1558  -4.415129      4.674336 
1 1 1 11  23  13 o 35.800  2.3279  180.576   21.982    161.871   30.716    200.212   31.472    33.805  3.4402  37.794  3.1373  -3.988773      4.655897 
1 1 1 11  23  14 o 39.563  2.3444  221.645   24.289    181.947   33.901    263.518   34.818    35.715  3.5927  43.412  3.0130  -7.697411      4.688831 
1 1 1 11  23  15 o 32.928  2.4587  154.863   21.334    164.242   30.618    146.012   29.743    33.941  3.4142  31.914  3.5391  2.026869       4.917491 
1 1 1 11  23  16 o 20.935  3.0425  66.460    16.491    60.296    23.367    72.576    23.276    19.835  4.5014  22.035  4.0945  -2.199732      6.085029 
1 1 1 11  23  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  24  0  o 7.6198  2.3295  -3.5084   8.8608    -9.5306   11.687    4.6344    13.590    6.3162  2.9230  8.9234  3.6280  -2.607177      4.658989 
1 1 1 11  24  1  o 39.638  2.0800  216.127   21.794    239.141   30.609    192.462   31.039    41.855  2.7455  37.421  3.1254  4.434395       4.160069 
1 1 1 11  24  2  o 25.751  4.0439  93.909    26.973    93.909    26.973    0.0000    0.0000    25.751  4.0439  ?       ?       ?              ?        
1 1 1 11  24  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  24  4  o 11.761  2.8446  17.646    10.938    22.679    15.515    12.672    15.423    12.794  4.0442  10.729  4.0013  2.064240       5.689118 
1 1 1 11  24  5  o 10.152  2.7457  7.8266    10.997    -1.7624   15.090    18.686    16.059    8.3222  3.6214  11.981  4.1282  -3.658834      5.491482 
1 1 1 11  24  6  o 43.193  2.1143  257.879   24.296    265.068   34.186    250.542   34.535    43.831  2.9288  42.556  3.0500  1.275562       4.228548 
1 1 1 11  24  7  o 10.097  2.6846  8.4080    10.687    -3.1400   15.165    19.801    15.063    8.1368  3.5831  12.057  3.9987  -3.920073      5.369185 
1 1 1 11  24  8  o 13.083  2.9992  24.022    12.015    23.364    17.188    24.650    16.803    12.964  4.2702  13.202  4.2125  -0.2382927     5.998334 
1 1 1 11  24  9  f 30.070  2.3928  128.413   18.656    106.447   26.326    150.574   26.442    27.297  3.6957  32.843  3.0403  -5.546562      4.785582 
1 1 1 11  24  10 o 11.115  2.8971  14.739    11.418    17.038    15.682    12.147    16.655    11.496  4.0712  10.734  4.1228  0.7619705      5.794122 
1 1 1 11  24  11 o 24.612  2.6849  87.483    17.106    93.254    24.353    81.862    24.033    25.482  3.6742  23.741  3.9159  1.741236       5.369747 
1 1 1 11  24  12 o 11.278  3.0018  14.659    12.382    17.145    17.308    12.053    17.721    11.688  4.2595  10.867  4.2309  0.8205385      6.003654 
1 1 1 11  24  13 o 46.748  2.3171  308.662   28.815    296.345   40.500    321.288   41.006    45.763  3.3268  47.733  3.2262  -1.970215      4.634254 
1 1 1 11  24  14 o 28.371  2.5785  116.558   19.116    109.456   26.517    124.244   27.584    27.428  3.7041  29.314  3.5880  -1.886234      5.156918 
1 1 1 11  24  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  25  0  o 31.107  3.2252  134.103   26.482    0.0000    0.0000    134.103   26.482    ?       ?       31.107  3.2252  ?              ?        
1 1 1 11  25  1  o 20.675  2.6932  61.267    14.311    64.117    19.562    57.985    20.990    21.281  3.5574  20.069  4.0446  1.211740       5.386476 
1 1 1 11  25  2  o 47.083  2.1026  305.193   26.376    298.657   37.211    311.792   37.393    46.564  2.9996  47.603  2.9472  -1.039341      4.205132 
1 1 1 11  25  3  o 27.922  2.3001  109.084   16.810    98.590    23.614    119.865   23.935    26.487  3.4075  29.357  3.0903  -2.870291      4.600146 
1 1 1 11  25  4  o 14.559  3.0283  30.637    12.564    29.924    17.038    31.487    18.600    14.376  4.1765  14.741  4.3861  -0.3653326     6.056526 
1 1 1 11  25  5  o 22.110  2.6665  70.791    15.040    55.300    21.115    86.743    21.427    19.420  4.1829  24.799  3.3084  -5.378593      5.333085 
1 1 1 11  25  6  o 30.791  2.3102  133.548   18.657    146.648   26.271    120.217   26.502    32.419  3.0616  29.162  3.4604  3.257147       4.620382 
1 1 1 11  25  7  o 30.107  2.3405  127.752   18.554    130.185   26.061    125.251   26.421    30.428  3.2478  29.786  3.3710  0.6421528      4.681046 
1 1 1 11  25  8  o 9.2049  2.5950  1.8322    10.688    -12.0398  14.878    16.628    15.365    7.0363  3.2707  11.373  4.0296  -4.337166      5.189907 
1 1 1 11  25  9  o 22.452  2.7193  73.167    15.617    58.071    21.566    89.811    22.645    19.809  4.1952  25.095  3.4611  -5.286057      5.438696 
1 1 1 11  25  10 o 13.841  2.9506  24.802    13.627    3.5280    19.021    47.233    19.531    9.8788  4.1761  17.803  4.1693  -7.923940      5.901103 
1 1 1 11  25  11 o 31.871  2.4684  145.139   20.712    138.824   29.081    151.641   29.507    31.126  3.5517  32.616  3.4290  -1.489323      4.936851 
1 1 1 11  25  12 o 32.089  2.5991  149.880   21.424    117.466   29.973    183.739   30.634    28.207  4.0861  35.971  3.2134  -7.763353      5.198250 
1 1 1 11  25  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  26  0  o 18.763  2.7761  52.273    13.493    63.766    18.401    38.903    19.846    21.235  3.3459  16.291  4.4308  4.943686       5.552209 
1 1 1 11  26  1  o 29.084  2.3035  118.457   17.618    119.476   24.463    117.359   25.395    29.247  3.1737  28.921  3.3396  0.3257904      4.607091 
1 1 1 11  26  2  o 39.838  2.1543  220.628   22.751    203.200   32.132    238.150   32.219    38.192  3.1697  41.483  2.9183  -3.291531      4.308520 
1 1 1 11  26  3  o 13.161  2.6357  20.037    12.286    47.185    17.408    -6.9074   17.342    18.035  3.7269  8.2868  3.7279  9.747730       5.271341 
1 1 1 11  26  4  o 33.840  2.2200  160.208   19.881    155.261   28.211    165.089   28.021    33.288  3.2036  34.392  3.0742  -1.104546      4.440044 
1 1 1 11  26  5  o 26.512  2.4258  99.824    16.806    102.804   23.577    96.745    23.962    26.960  3.3362  26.064  3.5225  0.8956299      4.851635 
1 1 1 11  26  6  o 13.609  3.0946  25.295    13.231    15.488    18.111    36.521    19.376    11.544  4.3299  15.675  4.4225  -4.131497      6.189265 
1 1 1 11  26  7  o 11.527  3.0194  14.629    13.003    24.271    17.918    3.9041    18.899    13.134  4.3616  9.9202  4.1765  3.214006       6.038736 
1 1 1 11  26  8  o 8.8491  2.6544  0.1469    11.347    -8.8019   16.242    8.6786    15.859    7.7393  3.5313  9.9588  3.9639  -2.219447      5.308742 
1 1 1 11  26  9  o 34.396  2.4052  168.789   21.743    187.568   30.846    150.241   30.655    36.436  3.1928  32.355  3.5982  4.080708       4.810489 
1 1 1 11  26  10 o 26.160  3.8432  100.268   26.126    100.268   26.126    0.0000    0.0000    26.160  3.8432  ?       ?       ?              ?        
1 1 1 11  26  11 o 18.103  4.6041  51.088    22.377    0.0000    0.0000    51.088    22.377    ?       ?       18.103  4.6041  ?              ?        
1 1 1 11  27  0  o 40.114  2.1614  224.511   22.929    248.229   32.390    200.685   32.464    42.341  2.8730  37.886  3.2300  4.455242       4.322864 
1 1 1 11  27  1  o 42.658  2.1407  253.112   24.297    253.946   34.107    252.252   34.620    42.745  2.9980  42.571  3.0565  0.1739006      4.281398 
1 1 1 11  27  2  o 37.249  2.2332  194.181   22.045    183.943   31.115    204.498   31.236    36.214  3.2421  38.283  3.0721  -2.069145      4.466465 
1 1 1 11  27  3  o 34.777  2.2823  169.374   20.954    153.282   28.915    187.172   30.409    32.984  3.3180  36.570  3.1348  -3.585571      4.564600 
1 1 1 11  27  4  o 16.277  2.9831  38.980    13.621    24.649    18.920    54.402    19.626    13.292  4.4826  19.261  3.9372  -5.969135      5.966150 
1 1 1 11  27  5  o 33.025  2.3534  154.728   20.432    167.045   28.565    141.822   29.238    34.488  3.1263  31.562  3.5185  2.925640       4.706717 
1 1 1 11  27  6  o 12.534  2.5672  13.397    12.385    -17.5560  17.142    47.197    17.913    7.1845  3.3935  17.884  3.8532  -10.69936      5.134461 
1 1 1 11  27  7  o 31.857  2.4804  145.688   20.760    154.470   29.182    136.689   29.540    32.926  3.3558  30.787  3.6536  2.139063       4.960828 
1 1 1 11  27  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  27  9  o 23.021  2.9565  82.272    17.199    51.651    24.263    113.196   24.384    18.041  4.8961  28.002  3.3154  -9.961615      5.913014 
1 1 1 11  28  0  o 18.160  3.0180  48.883    14.411    46.501    19.749    51.596    21.078    17.696  4.2250  18.624  4.3107  -0.9285049     6.035928 
1 1 1 11  28  1  o 10.837  2.8385  6.8649    12.197    -8.5629   16.027    28.099    18.802    7.7205  3.5169  13.952  4.4564  -6.231942      5.677001 
1 1 1 11  28  2  o 15.161  2.8983  31.516    13.487    10.356    18.340    56.440    19.904    10.717  4.2636  19.605  3.9272  -8.888386      5.796669 
1 1 1 11  28  3  o 21.362  2.9816  67.914    16.418    70.074    22.517    65.462    23.989    21.834  3.9977  20.891  4.4248  0.9426594      5.963295 
1 1 1 11  28  4  o 27.399  2.5962  108.910   18.392    123.596   25.991    94.181    26.029    29.442  3.3558  25.355  3.9624  4.086941       5.192494 
1 1 1 11  28  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  28  6  o 12.528  2.9997  19.092    13.488    1.0005    19.031    37.351    19.118    9.4505  4.0895  15.605  4.3897  -6.154114      5.999457 
1 1 1 11  29  0  o 9.7999  2.8547  5.1794    12.427    11.873    16.694    -3.1390   18.611    10.639  4.1164  8.9606  3.9563  1.678638       5.709374 
1 1 1 11  29  1  o 28.328  2.5344  115.479   18.787    114.386   26.065    116.661   27.104    28.218  3.5255  28.438  3.6420  -0.2200851     5.068812 
1 1 1 11  29  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 11  29  3  o 7.4002  2.4361  -14.2936  12.028    -5.7210   15.965    -25.5469  18.292    7.9305  3.5713  6.8699  3.3141  1.060645       4.872126 
1 1 1 11  30  0  o 15.306  2.8860  34.924    14.569    61.735    19.769    3.0594    21.552    20.407  3.7551  10.205  4.3836  10.20256       5.772062 
1 1 1 12  -36 6  o 15.191  3.4963  42.367    16.196    46.298    24.702    39.403    21.449    15.641  5.1176  14.741  4.7653  0.8998995      6.992698 
1 1 1 12  -36 7  o 12.381  3.0247  23.918    14.528    -2.4454   22.983    41.462    18.748    9.2504  4.2129  15.511  4.3413  -6.260489      6.049414 
1 1 1 12  -36 8  o 9.4679  2.7149  5.2963    12.600    -20.8885  20.522    21.141    15.964    7.3963  3.5538  11.540  4.1053  -4.143246      5.429853 
1 1 1 12  -36 9  o 10.279  2.9338  10.832    13.742    -9.0985   22.378    22.899    17.412    8.6270  4.0105  11.931  4.2829  -3.303910      5.867503 
1 1 1 12  -36 10 o 9.1052  2.8568  1.7639    13.389    2.3584    22.429    1.4348    16.689    9.6596  4.3000  8.5507  3.7622  1.108978       5.713548 
1 1 1 12  -36 11 o 10.086  3.0530  8.4119    14.338    10.446    23.230    7.1599    18.224    10.627  4.5576  9.5445  4.0635  1.082583       6.106062 
1 1 1 12  -36 12 o 9.6331  2.9901  4.4552    14.555    4.0161    23.355    4.7340    18.611    9.9633  4.4138  9.3028  4.0349  0.6604586      5.980152 
1 1 1 12  -36 13 o 23.554  3.2741  93.512    19.829    114.932   30.053    76.999    26.388    26.169  4.4467  20.938  4.8068  5.231155       6.548125 
1 1 1 12  -36 14 o 16.056  3.5591  45.979    16.784    57.345    26.716    38.569    21.573    17.421  5.2733  14.690  4.7813  2.730624       7.118218 
1 1 1 12  -36 15 o 14.780  3.1871  38.422    17.048    2.9590    26.414    63.742    22.319    10.236  4.6031  19.325  4.4094  -9.088895      6.374237 
1 1 1 12  -36 16 o 13.793  3.4616  32.456    15.678    43.757    25.630    25.700    19.818    15.183  5.2162  12.403  4.5522  2.779346       6.923256 
1 1 1 12  -36 17 o 21.158  3.3187  77.552    18.657    110.606   28.264    52.030    24.836    25.717  4.2519  16.600  5.0966  9.116894       6.637342 
1 1 1 12  -36 18 o 14.769  3.4837  41.735    17.649    22.231    27.539    55.328    22.991    12.115  5.0676  17.424  4.7816  -5.308366      6.967375 
1 1 1 12  -36 19 o 33.301  2.9001  184.286   25.250    186.195   37.030    182.626   34.520    33.217  4.2602  33.385  3.9360  -0.1683426     5.800139 
1 1 1 12  -36 20 o 20.259  3.7050  78.696    20.177    88.137    30.349    71.218    27.010    21.275  5.3355  19.243  5.1422  2.031540       7.410050 
1 1 1 12  -36 21 o 12.889  3.5624  31.054    18.256    22.064    27.401    38.229    24.480    11.832  5.0076  13.947  5.0683  -2.114994      7.124856 
1 1 1 12  -36 22 o 11.944  3.4674  24.448    17.640    28.340    26.751    21.452    23.465    12.408  5.0725  11.481  4.7287  0.9269829      6.934787 
1 1 1 12  -36 23 o 13.259  3.5807  33.608    17.902    50.139    27.502    21.454    23.583    15.147  5.3885  11.370  4.7170  3.776396       7.161430 
1 1 1 12  -36 24 f 11.680  3.4435  24.822    17.820    23.273    28.053    25.871    23.074    11.573  4.9865  11.787  4.7503  -0.2143984     6.887003 
1 1 1 12  -36 25 o 12.501  3.5985  30.412    18.999    50.347    29.775    16.721    24.675    14.398  5.5166  10.603  4.6221  3.794614       7.196944 
1 1 1 12  -35 2  o 9.5702  2.8669  6.9865    12.850    -0.6937   20.729    11.780    16.376    9.1418  4.0969  9.9986  4.0116  -0.8567133     5.733887 
1 1 1 12  -35 3  o 21.975  3.0936  81.294    17.409    65.435    25.917    94.335    23.501    19.306  4.9793  24.644  3.6726  -5.337410      6.187171 
1 1 1 12  -35 4  o 16.575  3.2533  46.023    14.921    53.506    22.493    40.144    19.939    17.726  4.6716  15.424  4.5289  2.302269       6.506508 
1 1 1 12  -35 5  o 12.980  3.1102  26.971    14.117    9.8713    22.115    38.733    18.341    10.632  4.4993  15.328  4.2952  -4.695670      6.220300 
1 1 1 12  -35 6  o 23.311  3.0867  90.419    18.255    67.420    26.815    110.287   24.923    19.708  5.0552  26.914  3.5433  -7.206259      6.173348 
1 1 1 12  -35 7  o 9.8415  2.8756  8.7705    12.460    0.3018    20.617    13.644    15.639    9.3461  4.1434  10.337  3.9884  -0.9907255     5.751127 
1 1 1 12  -35 8  o 8.4822  2.7048  -3.0208   12.408    -3.4276   21.229    -2.8098   15.291    9.0946  4.1048  7.8698  3.5234  1.224843       5.409556 
1 1 1 12  -35 9  o 20.757  3.3233  73.041    18.038    63.086    27.154    80.903    24.132    18.960  5.1938  22.554  4.1476  -3.593777      6.646622 
1 1 1 12  -35 10 o 22.760  3.2094  84.648    18.811    87.417    27.983    82.365    25.408    22.947  4.7106  22.574  4.3601  0.3726635      6.418765 
1 1 1 12  -35 11 o 26.235  2.9436  108.216   19.724    134.190   29.117    86.189    26.814    29.523  3.7680  22.946  4.5235  6.576906       5.887265 
1 1 1 12  -35 12 o 12.490  3.1993  19.432    14.475    40.884    22.929    5.2207    18.663    15.430  4.9206  9.5501  4.0901  5.880310       6.398543 
1 1 1 12  -35 13 o 6.1122  2.1144  -23.4705  10.920    -39.3332  20.045    -16.7766  13.021    6.3719  3.1542  5.8525  2.8166  0.5194025      4.228764 
1 1 1 12  -35 14 o 30.005  3.0573  148.245   22.620    106.492   32.942    185.493   31.114    24.854  5.1188  35.157  3.3445  -10.30221      6.114502 
1 1 1 12  -35 15 o 12.065  3.1763  20.574    15.235    0.0836    24.289    33.865    19.562    9.9061  4.4374  14.224  4.5459  -4.318172      6.352615 
1 1 1 12  -35 16 o 34.014  2.6101  177.739   23.311    197.834   34.096    160.101   31.943    35.940  3.5899  32.087  3.7899  3.853039       5.220198 
1 1 1 12  -35 17 o 11.151  3.1917  9.0317    15.493    32.672    24.534    -6.6498   19.982    13.839  5.0671  8.4635  3.8823  5.375949       6.383424 
1 1 1 12  -35 18 o 13.764  3.4944  30.927    16.320    42.757    25.559    22.784    21.205    15.346  5.2099  12.183  4.6584  3.163382       6.988832 
1 1 1 12  -35 19 o 20.826  3.5359  77.069    19.425    75.207    29.050    78.574    26.123    20.247  5.2962  21.406  4.6861  -1.159859      7.071754 
1 1 1 12  -35 20 o 12.323  3.0453  18.757    15.873    -17.5880  24.166    46.334    21.050    8.3656  3.9742  16.281  4.6154  -7.915032      6.090693 
1 1 1 12  -35 21 o 18.031  3.6353  59.423    18.516    73.720    27.894    48.161    24.756    19.992  5.1705  16.070  5.1116  3.921453       7.270663 
1 1 1 12  -35 22 o 10.127  3.1319  3.6714    15.987    20.307    25.641    -6.9091   20.449    11.864  4.9199  8.3891  3.8767  3.474872       6.263772 
1 1 1 12  -35 23 o 37.214  2.7435  223.932   26.752    254.507   38.724    196.018   37.001    40.003  3.6544  34.425  4.0930  5.578312       5.487031 
1 1 1 12  -35 24 o 8.6522  2.8597  -8.7065   16.130    -3.9572   25.111    -12.0429  21.047    9.2993  4.2969  8.0051  3.7747  1.294256       5.719381 
1 1 1 12  -35 25 o 14.845  3.7160  44.136    18.253    51.448    28.437    39.012    23.804    15.580  5.4860  14.110  5.0138  1.470245       7.431976 
1 1 1 12  -35 26 o 17.378  3.8242  63.045    19.633    72.787    29.610    55.402    26.228    18.462  5.5434  16.295  5.2696  2.166323       7.648427 
1 1 1 12  -35 27 o 17.935  3.9210  70.818    20.686    75.976    30.672    66.514    28.017    18.378  5.6673  17.492  5.4201  0.8859310      7.841951 
1 1 1 12  -35 28 o 8.8555  2.9223  -4.3106   17.534    -20.4529  27.647    6.5517    22.679    8.2474  4.0020  9.4636  4.2596  -1.216156      5.844700 
1 1 1 12  -35 29 o 12.103  3.5880  31.840    19.261    37.692    30.661    28.024    24.756    12.547  5.3031  11.659  4.8345  0.8884153      7.176029 
1 1 1 12  -34 0  o 20.575  3.0306  68.048    16.237    88.538    23.661    49.809    22.323    23.929  3.8200  17.220  4.7058  6.709251       6.061120 
1 1 1 12  -34 1  o 10.566  2.9656  10.959    13.551    -5.1570   21.051    22.363    17.708    8.9489  4.0587  12.182  4.3249  -3.233368      5.931130 
1 1 1 12  -34 2  o 11.944  3.1828  19.341    14.553    7.3852    22.209    28.338    19.266    10.501  4.4787  13.386  4.5234  -2.884293      6.365538 
1 1 1 12  -34 3  o 11.930  3.0991  19.976    13.586    9.1868    20.842    27.949    17.916    10.532  4.4071  13.327  4.3582  -2.795924      6.198136 
1 1 1 12  -34 4  o 47.831  2.2702  333.949   28.880    355.729   41.383    313.272   40.323    49.440  3.1414  46.223  3.2781  3.216297       4.540310 
1 1 1 12  -34 5  o 8.0392  2.5905  -7.4045   12.500    -21.5266  20.916    0.4427    15.591    7.6595  3.6552  8.4190  3.6719  -0.7594614     5.181034 
1 1 1 12  -34 6  o 27.249  2.6658  112.146   18.881    123.442   27.454    102.008   26.008    28.649  3.6614  25.850  3.8757  2.798828       5.331690 
1 1 1 12  -34 7  o 17.853  3.2047  50.828    15.285    60.177    23.353    43.822    20.217    19.253  4.5928  16.454  4.4708  2.799494       6.409498 
1 1 1 12  -34 8  o 32.332  2.4900  155.649   21.180    159.304   30.961    152.435   29.038    32.614  3.6045  32.049  3.4362  0.5645256      4.979970 
1 1 1 12  -34 9  o 15.874  3.3365  42.353    15.778    30.065    24.049    51.639    20.906    13.838  5.0243  17.911  4.3915  -4.073226      6.672982 
1 1 1 12  -34 10 o 11.023  2.7303  8.5567    13.691    -34.0958  22.021    35.432    17.480    7.1451  3.4903  14.900  4.1995  -7.754919      5.460605 
1 1 1 12  -34 11 o 16.217  2.9688  45.249    14.797    15.436    23.260    65.517    19.178    11.647  4.7421  20.787  3.5732  -9.140307      5.937625 
1 1 1 12  -34 12 o 26.543  2.9392  111.615   19.796    92.392    28.860    128.697   27.206    23.812  4.6917  29.274  3.5418  -5.461351      5.878476 
1 1 1 12  -34 13 o 9.7380  2.7594  -8.3718   12.279    30.390    21.244    -27.8208  15.048    13.754  4.7476  5.7222  2.8136  8.031459       5.518716 
1 1 1 12  -34 14 f 24.863  3.0534  97.457    19.515    111.986   29.085    85.561    26.318    26.654  4.2140  23.071  4.4199  3.583527       6.106798 
1 1 1 12  -34 15 o 16.117  3.4656  42.444    16.350    57.260    25.428    32.001    21.348    18.250  5.0371  13.984  4.7613  4.265436       6.931295 
1 1 1 12  -34 16 o 7.0085  2.3792  -17.0245  11.343    -15.0598  21.179    -17.8148  13.432    8.1086  3.8121  5.9085  2.8478  2.200041       4.758364 
1 1 1 12  -34 17 o 11.663  3.2280  14.524    14.959    32.205    23.694    2.8060    19.289    13.948  4.9973  9.3785  4.0874  4.569872       6.456013 
1 1 1 12  -34 18 o 12.674  3.4106  23.791    15.976    30.593    24.188    18.527    21.278    13.656  5.0265  11.693  4.6112  1.962315       6.821203 
1 1 1 12  -34 19 o 13.504  3.3203  27.579    14.986    43.930    23.449    16.290    19.484    15.853  4.9664  11.155  4.4083  4.697821       6.640645 
1 1 1 12  -34 20 o 10.751  3.0005  7.4550    13.941    31.447    21.534    -9.8570   18.292    13.680  4.7767  7.8213  3.6326  5.859074       6.001037 
1 1 1 12  -34 21 f 8.4774  2.7796  -8.6673   14.515    -7.9503   23.913    -9.0855   18.264    9.0900  4.1977  7.8647  3.6447  1.225241       5.559193 
1 1 1 12  -34 22 o 24.391  3.2505  98.901    20.324    128.045   30.433    75.437    27.307    28.121  4.1664  20.661  4.9905  7.460598       6.501097 
1 1 1 12  -34 23 o 17.187  3.5944  53.477    17.634    59.890    26.538    48.407    23.597    18.003  5.2074  16.372  4.9560  1.631058       7.188859 
1 1 1 12  -34 24 o 8.8561  2.8141  -1.8096   14.234    -13.1897  22.403    5.8936    18.432    8.3140  3.9125  9.3983  4.0458  -1.084281      5.628127 
1 1 1 12  -34 25 o 6.6668  2.3051  -27.7535  13.576    -42.0566  22.468    -19.5277  17.038    6.6696  3.3082  6.6640  3.2108  0.5518436E-02  4.610162 
1 1 1 12  -34 26 f 13.443  3.1892  26.847    17.721    -15.0996  26.814    59.378    23.613    8.8472  4.1981  18.039  4.8021  -9.191345      6.378453 
1 1 1 12  -34 27 o 10.259  3.1817  9.0446    16.743    4.8635    25.970    12.018    21.903    10.126  4.5580  10.393  4.4405  -0.2669630     6.363399 
1 1 1 12  -34 28 o 23.096  3.5943  101.582   21.560    101.400   32.051    101.733   29.137    22.643  5.3667  23.549  4.7827  -0.9054070     7.188546 
1 1 1 12  -34 29 o 11.463  3.3861  20.556    18.284    4.8099    27.735    32.660    24.316    10.059  4.5992  12.868  4.9709  -2.809310      6.772189 
1 1 1 12  -34 30 o 13.922  3.7545  40.946    19.978    63.157    30.450    24.159    26.472    16.272  5.6802  11.572  4.9113  4.699467       7.509004 
1 1 1 12  -34 31 o 12.006  3.5632  27.702    19.512    47.160    30.029    13.485    25.669    13.771  5.4630  10.241  4.5763  3.530023       7.126483 
1 1 1 12  -34 32 o 15.771  3.9547  64.887    20.763    71.075    32.043    60.407    27.261    15.981  5.8000  15.560  5.3777  0.4210100      7.909498 
1 1 1 12  -33 0  o 11.355  2.9481  15.728    12.779    1.5276    18.863    27.774    17.374    9.3140  4.0509  13.396  4.2844  -4.081878      5.896233 
1 1 1 12  -33 1  o 15.201  3.2176  37.246    14.393    29.260    21.547    43.680    19.342    13.778  4.7800  16.624  4.3085  -2.845860      6.435140 
1 1 1 12  -33 2  o 32.454  2.4523  155.070   20.956    154.451   30.363    155.632   28.959    32.308  3.5683  32.600  3.3649  -0.2922363     4.904649 
1 1 1 12  -33 3  o 9.8280  2.9019  5.8356    12.539    11.981    19.901    1.7900    16.147    10.881  4.4023  8.7750  3.7821  2.106060       5.803856 
1 1 1 12  -33 4  o 11.614  2.8404  15.618    12.989    -9.2102   19.834    34.265    17.188    8.4275  3.8666  14.800  4.1619  -6.372621      5.680781 
1 1 1 12  -33 5  o 21.683  2.8646  71.650    15.926    91.833    23.554    54.653    21.615    24.786  3.6578  18.579  4.4096  6.206257       5.729249 
1 1 1 12  -33 6  o 25.358  2.8484  97.391    18.546    116.133   27.291    81.308    25.280    27.842  3.7554  22.873  4.2838  4.969320       5.696821 
1 1 1 12  -33 7  o 26.515  2.6054  104.562   17.899    119.534   26.167    91.396    24.538    28.436  3.5100  24.594  3.8514  3.842642       5.210864 
1 1 1 12  -33 8  o 11.066  3.0364  14.762    12.830    14.185    19.275    15.220    17.192    11.119  4.3875  11.014  4.1986  0.1049547      6.072743 
1 1 1 12  -33 9  o 20.470  3.0532  64.738    16.221    81.834    24.309    51.017    21.778    23.087  4.0804  17.854  4.5429  5.232635       6.106318 
1 1 1 12  -33 10 o 33.867  2.4903  169.439   21.972    199.249   31.542    141.336   30.626    37.045  3.2106  30.688  3.8077  6.357117       4.980556 
1 1 1 12  -33 11 o 17.472  3.2580  48.165    15.567    61.368    23.497    37.836    20.783    19.594  4.5623  15.349  4.6522  4.244912       6.515916 
1 1 1 12  -33 12 o 22.740  3.0582  81.165    17.857    77.249    26.431    84.454    24.221    21.984  4.6347  23.496  3.9913  -1.512346      6.116436 
1 1 1 12  -33 13 o 15.286  3.2409  38.277    15.546    19.132    23.776    52.575    20.547    12.322  4.8696  18.249  4.2779  -5.927193      6.481806 
1 1 1 12  -33 14 o 28.075  2.7667  120.203   20.060    114.946   29.781    124.570   27.141    27.245  4.2173  28.906  3.5823  -1.660925      5.533338 
1 1 1 12  -33 15 o 12.269  3.2945  20.754    14.665    19.400    24.173    21.543    18.447    12.353  4.9011  12.185  4.4040  0.1673574      6.589073 
1 1 1 12  -33 16 o 21.149  3.1343  70.041    17.366    102.043   26.261    45.170    23.151    25.817  3.9210  16.481  4.8910  9.335485       6.268650 
1 1 1 12  -33 17 o 17.028  3.3593  46.897    15.826    57.536    24.455    39.231    20.758    18.583  4.8585  15.472  4.6405  3.111056       6.718546 
1 1 1 12  -33 18 o 9.8945  2.8462  5.4400    13.361    -16.9851  21.211    20.192    17.204    8.0178  3.7833  11.771  4.2533  -3.753432      5.692433 
1 1 1 12  -33 19 o 13.224  3.3119  26.424    14.912    36.714    22.166    17.917    20.155    14.841  4.8474  11.607  4.5141  3.234007       6.623721 
1 1 1 12  -33 20 f 10.703  2.8779  11.292    13.517    -15.9745  22.043    27.724    17.113    8.2286  3.8749  13.177  4.2560  -4.948833      5.755735 
1 1 1 12  -33 21 o 24.765  3.0675  99.049    19.490    95.721    28.876    101.834   26.413    24.074  4.6464  25.457  4.0062  -1.382399      6.134987 
1 1 1 12  -33 22 o 13.690  3.4092  29.697    15.849    42.459    23.731    19.421    21.294    15.584  5.0096  11.796  4.6252  3.788444       6.818309 
1 1 1 12  -33 23 o 14.757  3.1114  29.757    15.563    67.448    24.211    3.2138    20.318    19.984  4.6161  9.5295  4.1730  10.45441       6.222723 
1 1 1 12  -33 24 o 8.9677  2.8096  -14.8622  14.806    19.389    22.513    -40.9680  19.655    11.771  4.7104  6.1647  3.0640  5.605928       5.619195 
1 1 1 12  -33 25 o 23.942  3.3221  97.537    20.514    112.711   30.044    84.284    28.078    25.961  4.4827  21.924  4.9042  4.036505       6.644209 
1 1 1 12  -33 26 o 10.139  3.1087  7.0721    15.274    12.249    24.374    3.7241    19.600    10.938  4.6792  9.3403  4.0942  1.598121       6.217453 
1 1 1 12  -33 27 o 11.450  3.3352  17.975    16.547    14.977    24.674    20.425    22.306    11.203  4.7473  11.696  4.6858  -0.4932575     6.670375 
1 1 1 12  -33 28 o 16.419  3.7012  52.587    18.530    46.849    27.466    57.380    25.104    15.391  5.3934  17.446  5.0701  -2.055099      7.402307 
1 1 1 12  -33 29 o 10.728  3.2142  9.6075    16.926    28.799    24.545    -7.7949   23.372    12.713  4.9711  8.7436  4.0760  3.969557       6.428462 
1 1 1 12  -33 30 o 10.847  3.2500  10.348    17.435    32.529    25.496    -9.1370   23.896    13.047  5.0762  8.6463  4.0599  4.400757       6.500036 
1 1 1 12  -33 31 o 10.966  3.2835  12.452    17.721    35.501    26.116    -7.2136   24.124    13.212  5.1384  8.7189  4.0893  4.493320       6.566936 
1 1 1 12  -33 32 o 28.482  3.2889  151.723   24.215    149.883   34.489    153.511   34.007    28.158  4.7413  28.806  4.5592  -0.6480598     6.577749 
1 1 1 12  -33 33 o 23.332  3.7594  115.939   22.958    118.153   33.099    113.886   31.870    23.425  5.3876  23.239  5.2446  0.1859913      7.518794 
1 1 1 12  -33 34 o 10.074  3.2164  14.468    18.574    8.8243    26.815    19.673    25.752    9.6402  4.4494  10.508  4.6459  -0.8675537     6.432891 
1 1 1 12  -32 0  o 8.8120  2.6918  0.5025    11.858    -7.0365   17.822    6.4916    15.885    8.1962  3.7240  9.4277  3.8878  -1.231510      5.383580 
1 1 1 12  -32 1  o 12.583  2.7099  19.828    12.599    -7.7933   18.589    43.299    17.135    8.3137  3.7873  16.852  3.8770  -8.537887      5.419831 
1 1 1 12  -32 2  o 14.623  3.0825  33.733    13.764    19.356    20.986    44.587    18.234    12.217  4.6431  17.030  4.0556  -4.813169      6.164937 
1 1 1 12  -32 3  f 33.465  2.2966  161.656   20.314    160.986   29.189    162.285   28.288    33.350  3.3114  33.580  3.1831  -0.2291794     4.593215 
1 1 1 12  -32 4  o 14.622  3.0846  33.318    13.162    27.270    19.665    38.225    17.714    13.500  4.5700  15.745  4.1440  -2.244473      6.169102 
1 1 1 12  -32 5  o 7.6627  2.4376  -5.3553   10.598    -13.6311  16.887    0.0220    13.613    7.3573  3.4413  7.9682  3.4534  -0.6109595     4.875265 
1 1 1 12  -32 6  o 28.224  2.6228  118.696   19.007    104.358   28.063    130.848   25.835    26.324  4.1148  30.124  3.2536  -3.799623      5.245697 
1 1 1 12  -32 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -32 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -32 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -32 10 o 9.1693  3.9770  0.7073    18.082    0.7073    18.082    0.0000    0.0000    9.1693  3.9770  ?       ?       ?              ?        
1 1 1 12  -32 11 o 22.265  2.8658  73.778    16.256    101.944   24.360    51.169    21.826    26.415  3.5314  18.115  4.5145  8.300137       5.731648 
1 1 1 12  -32 12 o 12.213  2.9301  15.148    12.574    39.113    20.078    -0.3139   16.128    15.847  4.5129  8.5798  3.7385  7.267103       5.860232 
1 1 1 12  -32 13 o 16.528  3.2284  43.086    14.768    39.489    22.418    45.844    19.630    15.831  4.8390  17.225  4.2749  -1.393594      6.456811 
1 1 1 12  -32 14 o 21.407  3.0345  69.751    16.756    79.937    24.885    61.302    22.664    22.909  4.2106  19.905  4.3707  3.004065       6.068943 
1 1 1 12  -32 15 o 21.538  3.0548  71.347    16.998    74.398    24.639    68.576    23.480    21.976  4.3400  21.101  4.3002  0.8743687      6.109608 
1 1 1 12  -32 16 o 11.257  3.0765  10.392    13.879    28.415    21.430    -2.6303   18.216    13.748  4.7671  8.7665  3.8902  4.981375       6.152958 
1 1 1 12  -32 17 o 16.684  3.2616  44.315    15.032    44.003    22.334    44.574    20.324    16.560  4.7734  16.808  4.4460  -0.2479477     6.523235 
1 1 1 12  -32 18 o 14.677  3.3321  34.159    15.475    22.120    23.198    43.814    20.774    12.775  4.8754  16.579  4.5433  -3.803380      6.664137 
1 1 1 12  -32 19 o 15.069  3.3079  34.235    15.230    51.646    23.261    21.170    20.149    17.818  4.7764  12.319  4.5776  5.499584       6.615738 
1 1 1 12  -32 20 o 28.275  3.0022  123.227   21.931    117.007   29.381    131.054   32.957    27.587  4.1010  28.963  4.3856  -1.375462      6.004313 
1 1 1 12  -32 21 o 25.631  4.3542  103.464   28.824    103.464   28.824    0.0000    0.0000    25.631  4.3542  ?       ?       ?              ?        
1 1 1 12  -32 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -32 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -32 24 o 16.364  5.0338  46.626    24.215    0.0000    0.0000    46.626    24.215    ?       ?       16.364  5.0338  ?              ?        
1 1 1 12  -32 25 o 18.453  3.4541  59.816    17.429    52.912    26.539    65.051    23.111    17.113  5.2708  19.793  4.4655  -2.680351      6.908119 
1 1 1 12  -32 26 f 11.766  3.3124  19.235    15.653    22.203    22.833    16.605    21.501    12.209  4.7889  11.323  4.5777  0.8865156      6.624831 
1 1 1 12  -32 27 o 9.9856  3.0807  5.0591    15.815    -3.9157   23.845    12.107    21.131    9.3534  4.2720  10.618  4.4399  -1.264257      6.161388 
1 1 1 12  -32 28 o 13.795  3.4951  33.481    17.435    17.997    26.094    45.970    23.434    11.730  4.9213  15.860  4.9642  -4.129676      6.990174 
1 1 1 12  -32 29 o 18.162  3.4901  60.011    18.277    83.615    26.790    39.458    24.999    21.811  4.7226  14.513  5.1401  7.298145       6.980190 
1 1 1 12  -32 30 o 13.793  3.5183  33.924    17.925    15.824    25.720    51.019    24.995    11.281  4.8157  16.306  5.1306  -5.024635      7.036616 
1 1 1 12  -32 31 o 26.051  3.2577  120.001   21.789    110.956   31.559    128.239   30.119    24.599  4.9611  27.503  4.2236  -2.903862      6.515460 
1 1 1 12  -32 32 o 16.614  3.1301  49.259    19.037    -1.1641   27.229    97.470    26.625    9.6735  4.4714  23.554  4.3814  -13.88067      6.260241 
1 1 1 12  -32 33 o 18.812  3.6721  72.306    19.934    97.091    29.287    50.914    27.209    22.364  5.0132  15.261  5.3670  7.102842       7.344191 
1 1 1 12  -32 34 o 6.6692  2.3418  -39.1729  16.068    -53.6634  22.734    -24.7071  22.714    6.0679  3.0551  7.2705  3.5501  -1.202634      4.683688 
1 1 1 12  -32 35 o 13.340  3.3959  34.137    19.420    -5.4877   27.781    72.008    27.159    8.9159  4.2431  17.765  5.3033  -8.848729      6.791819 
1 1 1 12  -32 36 o 16.805  3.9880  77.365    21.754    65.647    31.361    88.232    30.201    14.978  5.6800  18.632  5.5993  -3.653240      7.975900 
1 1 1 12  -31 0  o 9.8591  2.7471  5.4721    11.374    20.017    17.182    -5.8731   15.175    12.040  4.2616  7.6785  3.4676  4.361173       5.494136 
1 1 1 12  -31 1  o 25.163  2.5514  92.763    16.409    113.223   23.626    73.697    22.807    28.113  3.1943  22.214  3.9794  5.899837       5.102845 
1 1 1 12  -31 2  o 17.908  4.6295  49.769    22.369    0.0000    0.0000    49.769    22.369    ?       ?       17.908  4.6295  ?              ?        
1 1 1 12  -31 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -31 4  o 24.035  3.6927  84.326    23.012    84.326    23.012    0.0000    0.0000    24.035  3.6927  ?       ?       ?              ?        
1 1 1 12  -31 5  o 40.196  2.1287  227.454   22.742    226.162   32.577    228.682   31.761    40.052  3.0598  40.340  2.9602  -0.2879448     4.257354 
1 1 1 12  -31 6  f 35.498  2.2299  178.052   20.964    187.764   30.195    169.016   29.128    36.455  3.1225  34.540  3.1843  1.915272       4.459754 
1 1 1 12  -31 7  o 20.929  2.7942  64.399    15.048    76.431    22.079    53.962    20.564    22.887  3.7302  18.971  4.1613  3.915791       5.588431 
1 1 1 12  -31 8  o 19.313  2.8603  55.337    14.338    66.107    20.865    45.702    19.735    21.223  3.8105  17.402  4.2668  3.820992       5.720635 
1 1 1 12  -31 9  f 11.677  2.9717  17.447    11.702    19.828    18.347    15.814    15.194    12.246  4.3963  11.109  3.9995  1.137363       5.943347 
1 1 1 12  -31 10 o 8.2887  2.6009  -4.8007   11.381    1.5976    17.803    -9.2222   14.799    9.3179  3.9928  7.2595  3.3341  2.058408       5.201828 
1 1 1 12  -31 11 o 18.565  2.9384  54.675    15.057    25.174    22.198    79.817    20.493    13.537  4.8383  23.593  3.3359  -10.05618      5.876867 
1 1 1 12  -31 12 o 22.100  2.9508  73.533    16.728    61.620    24.175    84.478    23.171    20.103  4.5906  24.098  3.7088  -3.994864      5.901594 
1 1 1 12  -31 13 o 11.794  3.0154  13.380    12.561    31.753    20.730    2.7206    15.790    14.601  4.6810  8.9870  3.8024  5.613820       6.030755 
1 1 1 12  -31 14 o 27.751  2.5500  111.180   18.486    117.674   26.670    105.174   25.648    28.563  3.5635  26.938  3.6484  1.624271       5.099982 
1 1 1 12  -31 15 o 17.768  3.1195  47.120    15.496    70.799    22.909    27.148    21.040    21.799  4.0733  13.737  4.7258  8.062216       6.238978 
1 1 1 12  -31 16 o 33.714  2.3371  162.695   20.749    176.584   29.267    148.660   29.420    35.282  3.1295  32.146  3.4719  3.135803       4.674184 
1 1 1 12  -31 17 o 22.168  2.9362  73.844    16.789    71.911    23.903    75.726    23.586    21.825  4.2419  22.511  4.0611  -0.6865921     5.872479 
1 1 1 12  -31 18 o 9.9023  2.9388  3.4799    13.264    12.756    20.202    -3.5505   17.587    11.226  4.4721  8.5784  3.8138  2.647947       5.877504 
1 1 1 12  -31 19 o 32.756  2.4538  155.588   21.179    150.256   30.158    160.776   29.749    32.130  3.5644  33.381  3.3735  -1.251091      4.907646 
1 1 1 12  -31 20 f 32.789  2.4697  156.772   21.295    150.192   30.705    162.869   29.559    32.003  3.6472  33.574  3.3309  -1.570839      4.939302 
1 1 1 12  -31 21 o 35.678  2.3830  185.348   22.395    170.993   32.104    198.955   31.257    34.161  3.5610  37.195  3.1676  -3.033833      4.765977 
1 1 1 12  -31 22 o 27.651  2.7866  116.110   19.713    95.955    28.039    135.812   27.721    24.887  4.3654  30.414  3.4647  -5.526821      5.573277 
1 1 1 12  -31 23 o 13.103  2.9548  13.921    14.985    54.751    22.847    -16.9044  19.851    18.427  4.6337  7.7798  3.6677  10.64701       5.909554 
1 1 1 12  -31 24 o 26.128  2.8156  105.050   18.966    100.740   27.899    108.754   25.862    25.396  4.2517  26.859  3.6924  -1.462999      5.631244 
1 1 1 12  -31 25 o 17.441  3.4629  50.977    17.164    63.742    24.800    39.241    23.778    19.599  4.7694  15.284  5.0220  4.315259       6.925880 
1 1 1 12  -31 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -31 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -31 28 o 9.2252  2.9285  -1.1078   14.803    1.4522    23.113    -2.8882   19.275    9.7820  4.3590  8.6683  3.9119  1.113717       5.856992 
1 1 1 12  -31 29 o 14.095  3.4863  34.272    17.142    19.524    24.573    48.252    23.925    11.874  4.8588  16.317  5.0009  -4.443286      6.972598 
1 1 1 12  -31 30 o 9.7053  3.0063  1.3191    15.906    -16.9222  23.574    16.566    21.552    8.2613  3.9248  11.149  4.5549  -2.887903      6.012617 
1 1 1 12  -31 31 o 8.2972  2.7338  -12.9282  15.531    -31.8372  23.268    2.2652    20.857    7.2924  3.5676  9.3019  4.1432  -2.009434      5.467595 
1 1 1 12  -31 32 o 9.9766  3.1026  4.9537    16.479    -6.7753   23.390    16.513    23.220    8.8479  4.1088  11.105  4.6499  -2.257347      6.205172 
1 1 1 12  -31 33 o 12.880  3.3607  26.254    17.733    -0.9335   25.471    51.828    24.704    9.5372  4.3779  16.224  5.1000  -6.686310      6.721313 
1 1 1 12  -31 34 o 13.717  3.6806  38.746    18.639    37.725    26.825    39.699    25.917    13.552  5.2251  13.882  5.1850  -0.3302116     7.361116 
1 1 1 12  -31 35 o 14.947  3.5613  46.600    19.564    17.084    28.112    74.322    27.244    10.983  4.8551  18.912  5.2114  -7.929020      7.122564 
1 1 1 12  -31 36 o 10.338  3.2546  14.156    18.297    19.910    25.651    8.1958    26.106    10.858  4.7232  9.8186  4.4788  1.039754       6.509125 
1 1 1 12  -31 37 o 10.442  3.2581  19.288    17.825    18.506    25.193    20.071    25.223    10.366  4.5887  10.518  4.6264  -0.1514072     6.516142 
1 1 1 12  -30 0  o 39.440  3.0800  218.777   32.278    218.777   32.278    0.0000    0.0000    39.440  3.0800  ?       ?       ?              ?        
1 1 1 12  -30 1  o 31.889  2.2963  144.635   18.980    175.149   27.160    115.512   26.534    35.398  2.8898  28.380  3.5695  7.017662       4.592592 
1 1 1 12  -30 2  o 36.317  2.1520  184.799   20.738    188.530   29.592    181.199   29.071    36.682  3.0393  35.953  3.0475  0.7286720      4.304032 
1 1 1 12  -30 3  o 26.029  2.5294  98.657    16.750    79.304    24.248    116.322   23.166    23.285  4.0340  28.774  3.0525  -5.488550      5.058713 
1 1 1 12  -30 4  f 50.671  2.0901  357.037   28.239    361.044   40.372    353.200   39.514    50.939  2.9719  50.402  2.9397  0.5377884      4.180164 
1 1 1 12  -30 5  o 28.517  2.2652  114.437   16.988    117.266   24.644    111.875   23.451    28.837  3.2471  28.197  3.1594  0.6401463      4.530499 
1 1 1 12  -30 6  o 25.399  2.5025  92.208    16.516    88.463    23.857    95.654    22.887    24.824  3.7011  25.973  3.3691  -1.149485      5.004923 
1 1 1 12  -30 7  o 56.351  2.1011  440.495   31.513    489.584   45.015    393.319   44.129    59.565  2.8215  53.138  3.1141  6.426701       4.202199 
1 1 1 12  -30 8  o 34.332  2.1644  164.617   19.676    172.964   27.932    156.395   27.721    35.235  2.9878  33.429  3.1325  1.805859       4.328884 
1 1 1 12  -30 9  o 16.457  2.9608  39.824    13.055    43.650    19.353    36.629    17.685    17.163  4.2358  15.752  4.1380  1.411149       5.921540 
1 1 1 12  -30 10 o 14.386  3.0633  30.267    12.812    27.347    18.767    32.815    17.535    13.838  4.4557  14.934  4.2050  -1.096455      6.126606 
1 1 1 12  -30 11 o 23.545  2.4988  79.953    15.087    68.821    21.799    90.187    20.902    21.783  3.8784  25.307  3.1520  -3.523941      4.997682 
1 1 1 12  -30 12 o 35.588  2.2256  177.270   20.916    195.970   29.928    159.415   29.244    37.503  3.0046  33.673  3.2841  3.829220       4.451202 
1 1 1 12  -30 13 o 16.493  3.1581  39.957    14.412    49.899    21.357    31.645    19.529    18.285  4.4115  14.701  4.5203  3.584050       6.316178 
1 1 1 12  -30 14 o 7.2478  2.2990  -7.0332   9.7542    -25.2831  16.916    2.0581    11.939    6.5683  3.1732  7.9273  3.3276  -1.358981      4.598003 
1 1 1 12  -30 15 o 21.779  2.9011  69.839    16.260    80.941    23.198    59.117    22.797    23.655  3.7893  19.902  4.3941  3.752905       5.802252 
1 1 1 12  -30 16 o 10.554  2.8734  9.4063    12.389    -4.4980   18.513    20.683    16.673    8.8065  3.9142  12.302  4.2077  -3.495260      5.746829 
1 1 1 12  -30 17 o 28.163  2.4633  113.305   18.180    111.600   25.816    114.981   25.607    27.927  3.5301  28.398  3.4365  -0.4711552     4.926541 
1 1 1 12  -30 18 o 24.827  2.7581  91.371    17.180    64.264    24.117    119.299   24.480    20.636  4.4909  29.018  3.2030  -8.381832      5.516118 
1 1 1 12  -30 19 o 22.007  2.8226  71.172    15.989    80.368    23.434    63.162    21.871    23.418  3.8713  20.596  4.1087  2.822330       5.645210 
1 1 1 12  -30 20 o 12.640  3.1976  21.669    13.760    18.158    20.796    24.404    18.353    12.212  4.6267  13.068  4.4149  -0.8558149     6.395124 
1 1 1 12  -30 21 o 28.076  2.5854  114.908   18.539    143.154   26.799    88.984    25.673    31.689  3.2012  24.462  4.0606  7.226549       5.170754 
1 1 1 12  -30 22 o 13.454  3.3137  26.029    14.585    27.802    21.862    24.608    19.578    13.807  4.8133  13.101  4.5557  0.7054243      6.627376 
1 1 1 12  -30 23 o 15.701  3.1586  35.813    14.784    58.147    22.449    18.710    19.645    19.372  4.4236  12.029  4.5100  7.343810       6.317282 
1 1 1 12  -30 24 o 33.949  2.4361  168.856   21.658    152.565   31.323    183.781   29.981    32.148  3.7055  35.749  3.1637  -3.601303      4.872286 
1 1 1 12  -30 25 o 9.5436  2.9077  1.2657    13.957    -10.1556  21.078    10.183    18.625    8.6407  3.9723  10.447  4.2472  -1.805865      5.815378 
1 1 1 12  -30 26 o 40.272  2.2888  236.785   24.416    226.035   35.152    246.807   33.938    39.240  3.3774  41.304  3.0901  -2.063725      4.577686 
1 1 1 12  -30 27 o 24.948  2.9228  96.361    18.728    113.770   27.629    81.562    25.474    27.242  3.8976  22.653  4.3566  4.589224       5.845557 
1 1 1 12  -30 28 o 17.506  2.7084  43.631    17.060    -14.3163  23.789    104.993   24.480    8.7083  4.0768  26.304  3.5666  -17.59520      5.416702 
1 1 1 12  -30 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -30 30 o 13.186  4.9223  28.833    23.351    0.0000    0.0000    28.833    23.351    ?       ?       13.186  4.9223  ?              ?        
1 1 1 12  -30 31 o 13.847  3.2184  29.974    16.601    0.5915    24.085    56.566    22.913    9.7501  4.3890  17.943  4.7084  -8.193070      6.436830 
1 1 1 12  -30 32 f 22.688  3.4203  93.709    20.290    69.638    29.539    115.214   27.920    18.864  5.5048  26.512  4.0610  -7.648300      6.840663 
1 1 1 12  -30 33 o 14.899  3.4636  40.961    17.579    20.061    25.181    60.831    24.553    11.700  4.8656  18.099  4.9308  -6.399665      6.927246 
1 1 1 12  -30 34 o 12.050  3.4010  22.462    16.952    36.247    25.106    10.909    22.983    13.724  5.1077  10.375  4.4919  3.349046       6.801925 
1 1 1 12  -30 35 o 10.222  3.1941  9.2130    17.143    11.942    25.190    6.8586    23.398    10.563  4.6355  9.8802  4.3955  0.6828785      6.388119 
1 1 1 12  -30 36 o 30.872  3.0928  170.276   24.843    177.647   35.779    163.413   34.522    31.562  4.3478  30.182  4.3997  1.379595       6.185524 
1 1 1 12  -30 37 o 21.062  3.4096  92.634    21.452    148.173   31.194    42.795    29.550    28.702  4.1804  13.423  5.3876  15.27887       6.819249 
1 1 1 12  -30 38 o 13.604  3.6191  44.231    20.471    15.589    29.890    69.532    28.093    10.383  4.7573  16.825  5.4551  -6.442836      7.238104 
1 1 1 12  -30 39 o 9.3795  3.0711  8.8593    18.548    -2.8197   26.265    20.477    26.196    8.5330  4.0787  10.226  4.5926  -1.693048      6.142265 
1 1 1 12  -29 0  o 18.299  2.8711  49.536    13.735    42.286    19.761    56.311    19.103    16.881  4.3449  19.717  3.7544  -2.836308      5.742280 
1 1 1 12  -29 1  o 13.180  2.9246  24.590    11.492    26.684    16.724    22.717    15.818    13.632  4.1818  12.728  4.0898  0.9032059      5.849267 
1 1 1 12  -29 2  f 50.109  2.0550  346.843   27.443    363.817   39.090    330.346   38.537    51.348  2.8534  48.869  2.9581  2.479748       4.109986 
1 1 1 12  -29 3  o 37.052  2.1019  190.222   20.682    191.283   29.531    189.201   28.974    37.146  2.9935  36.959  2.9514  0.1867943      4.203790 
1 1 1 12  -29 4  o 25.367  2.3387  90.283    15.437    101.707   22.364    79.887    21.334    26.972  3.1552  23.762  3.4530  3.209608       4.677440 
1 1 1 12  -29 5  o 23.416  2.4084  77.225    14.546    90.383    21.181    65.480    20.012    25.407  3.1823  21.426  3.6157  3.980841       4.816716 
1 1 1 12  -29 6  o 17.598  2.7361  43.718    12.708    63.315    19.244    28.563    16.923    21.097  3.5303  14.099  4.1811  6.998102       5.472146 
1 1 1 12  -29 7  o 15.826  2.8890  35.849    12.566    47.833    18.512    25.608    17.113    18.169  3.9191  13.483  4.2456  4.685944       5.777976 
1 1 1 12  -29 8  o 20.503  2.5036  59.573    13.222    66.156    19.389    53.851    18.078    21.603  3.4682  19.402  3.6116  2.201447       5.007209 
1 1 1 12  -29 9  o 16.842  2.8441  40.554    12.916    56.270    19.132    27.395    17.507    19.801  3.7445  13.883  4.2818  5.918428       5.688197 
1 1 1 12  -29 10 o 41.775  2.0841  240.835   23.165    246.512   32.787    235.176   32.733    42.282  2.9128  41.267  2.9815  1.015961       4.168181 
1 1 1 12  -29 11 o 18.220  2.8812  47.975    14.070    69.938    20.623    28.847    19.246    22.178  3.5947  14.262  4.5038  7.915670       5.762475 
1 1 1 12  -29 12 o 29.007  2.3689  119.086   17.767    99.174    25.424    138.091   24.838    26.451  3.6890  31.563  2.9731  -5.111916      4.737881 
1 1 1 12  -29 13 o 12.132  2.9361  17.919    11.653    27.679    17.927    10.777    15.335    13.946  4.3381  10.318  3.9577  3.627145       5.872166 
1 1 1 12  -29 14 o 16.155  3.0891  38.687    13.855    31.018    20.424    45.224    18.857    14.717  4.6387  17.592  4.0809  -2.875036      6.178279 
1 1 1 12  -29 15 o 21.648  2.7148  67.769    15.095    63.297    22.102    71.678    20.665    20.861  4.1018  22.435  3.5577  -1.574665      5.429695 
1 1 1 12  -29 16 o 66.294  2.1516  606.997   38.204    606.884   53.793    607.112   54.267    66.296  3.0293  66.291  3.0563  0.5393982E-02  4.303194 
1 1 1 12  -29 17 o 26.473  2.6085  99.939    17.991    98.776    25.545    101.084   25.343    26.300  3.7309  26.646  3.6466  -0.3459587     5.216990 
1 1 1 12  -29 18 o 51.135  2.0704  362.563   28.216    373.419   39.593    351.360   40.221    51.957  2.8560  50.313  2.9981  1.643871       4.140722 
1 1 1 12  -29 19 o 16.907  3.1537  42.093    14.567    51.641    21.618    34.152    19.715    18.608  4.4056  15.205  4.5138  3.403594       6.307438 
1 1 1 12  -29 20 o 9.7948  2.9042  3.7050    13.009    -2.3286   19.249    8.7778    17.650    9.2365  4.0528  10.353  4.1609  -1.116573      5.808449 
1 1 1 12  -29 21 o 10.853  2.9825  11.208    12.844    2.5871    18.849    18.679    17.548    9.7135  4.1340  11.993  4.3002  -2.279004      5.965019 
1 1 1 12  -29 22 o 31.547  2.3721  142.394   19.524    122.537   27.724    161.930   27.498    29.180  3.6254  33.914  3.0601  -4.734602      4.744239 
1 1 1 12  -29 23 o 47.582  2.1362  318.633   27.050    305.513   38.570    331.333   37.947    46.546  3.1117  48.619  2.9276  -2.073002      4.272397 
1 1 1 12  -29 24 o 11.115  3.1179  12.437    13.780    12.908    20.523    12.050    18.595    11.332  4.5097  10.898  4.3067  0.4337425      6.235754 
1 1 1 12  -29 25 o 38.707  2.2416  213.618   23.015    218.444   33.399    209.255   31.758    39.089  3.2186  38.326  3.1208  0.7634392      4.483218 
1 1 1 12  -29 26 o 34.710  2.4545  177.837   22.015    148.221   32.143    204.005   30.214    31.587  3.8808  37.832  3.0064  -6.244434      4.909091 
1 1 1 12  -29 27 o 35.902  2.4179  189.363   22.682    161.002   32.214    217.247   31.942    32.936  3.7166  38.868  3.0938  -5.932323      4.835753 
1 1 1 12  -29 28 f 13.025  2.9146  15.191    14.752    53.295    21.918    -16.3661  19.946    18.218  4.5146  7.8318  3.6874  10.38603       5.829157 
1 1 1 12  -29 29 o 28.506  2.6760  123.026   19.851    137.457   29.201    110.627   27.067    30.146  3.6937  26.867  3.8732  3.279440       5.352093 
1 1 1 12  -29 30 o 11.889  3.2732  19.247    15.125    14.272    21.400    24.213    21.380    11.156  4.5462  12.621  4.7102  -1.464462      6.546304 
1 1 1 12  -29 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -29 32 o 14.393  4.9714  36.816    23.296    0.0000    0.0000    36.816    23.296    ?       ?       14.393  4.9714  ?              ?        
1 1 1 12  -29 33 o 13.041  3.4275  28.392    16.348    39.033    23.634    18.629    22.638    14.582  5.0091  11.499  4.6797  3.082871       6.854969 
1 1 1 12  -29 34 o 13.671  3.5207  33.374    17.906    16.260    25.939    48.951    24.748    11.352  4.8408  15.991  5.1133  -4.638811      7.041306 
1 1 1 12  -29 35 o 13.929  3.3243  29.355    17.831    66.038    26.099    -2.7581   24.419    18.569  5.0940  9.2901  4.2727  9.278552       6.648683 
1 1 1 12  -29 36 o 10.810  3.3086  13.929    17.623    18.808    25.676    9.5831    24.233    11.351  4.8278  10.270  4.5254  1.081553       6.617141 
1 1 1 12  -29 37 o 8.4612  2.8057  -18.9256  17.030    12.731    24.549    -48.2949  23.645    10.436  4.5779  6.4865  3.2451  3.949279       5.611412 
1 1 1 12  -29 38 o 12.764  3.2725  23.247    18.784    -20.6992  26.752    65.985    26.382    8.1003  3.9320  17.429  5.2323  -9.328364      6.545047 
1 1 1 12  -29 39 o 14.275  3.9147  54.326    21.467    61.955    31.035    47.327    29.726    15.093  5.6668  13.456  5.4027  1.637798       7.829494 
1 1 1 12  -29 40 o 7.3557  2.5596  -25.6031  17.747    -7.4508   25.232    -43.3745  24.966    8.1722  3.9301  6.5392  3.2804  1.633035       5.119281 
1 1 1 12  -28 0  o 11.692  2.8798  17.554    11.103    15.003    16.417    19.705    15.073    11.306  4.1441  12.078  3.9999  -0.7715864     5.759590 
1 1 1 12  -28 1  o 13.823  2.6983  26.177    11.078    41.574    16.131    12.434    15.240    17.011  3.6497  10.636  3.9754  6.374324       5.396672 
1 1 1 12  -28 2  o 35.445  2.0418  173.211   19.187    164.786   27.330    181.399   26.945    34.557  2.9818  36.333  2.7900  -1.776268      4.083548 
1 1 1 12  -28 3  o 30.601  2.1660  129.583   17.513    129.865   24.966    129.309   24.572    30.627  3.0853  30.575  3.0408  0.5217934E-01  4.331962 
1 1 1 12  -28 4  o 40.220  2.0141  221.923   21.552    227.638   30.908    216.514   30.068    40.725  2.8514  39.715  2.8454  1.010139       4.028291 
1 1 1 12  -28 5  o 32.579  2.0604  146.212   17.782    144.282   25.407    148.066   24.896    32.351  2.9651  32.807  2.8618  -0.4563217     4.120849 
1 1 1 12  -28 6  o 24.843  2.4121  86.017    15.472    102.375   22.672    71.760    21.166    27.149  3.1779  22.536  3.6297  4.612705       4.824278 
1 1 1 12  -28 7  o 23.594  2.4361  78.396    14.873    71.769    21.281    84.722    20.794    22.534  3.6508  24.654  3.2263  -2.120356      4.872124 
1 1 1 12  -28 8  o 69.329  2.1354  657.631   39.640    681.435   56.388    634.375   55.736    70.588  2.9824  68.071  3.0570  2.516747       4.270830 
1 1 1 12  -28 9  o 26.908  2.3412  100.945   16.433    112.503   23.484    89.855    23.004    28.494  3.1285  25.323  3.4839  3.171141       4.682409 
1 1 1 12  -28 10 o 20.520  2.7043  60.698    14.229    52.388    20.736    68.092    19.560    19.039  4.1808  22.000  3.4314  -2.961182      5.408619 
1 1 1 12  -28 11 o 19.682  2.7723  55.385    14.094    62.197    20.424    49.192    19.473    20.896  3.7886  18.467  4.0484  2.429258       5.544669 
1 1 1 12  -28 12 o 36.246  2.1116  181.043   20.301    188.876   28.706    173.205   28.715    37.059  2.9154  35.433  3.0554  1.625771       4.223192 
1 1 1 12  -28 13 o 19.947  2.8796  57.118    14.860    65.218    21.616    49.860    20.462    21.355  3.9238  18.540  4.2157  2.814434       5.759194 
1 1 1 12  -28 14 o 38.439  2.1426  204.261   21.814    218.010   30.543    189.946   31.165    39.822  2.8830  37.056  3.1705  2.766735       4.285275 
1 1 1 12  -28 15 o 17.497  2.9174  44.951    13.607    34.165    19.573    55.040    18.929    15.380  4.4790  19.614  3.7396  -4.233494      5.834893 
1 1 1 12  -28 16 o 33.120  2.2273  152.451   19.405    171.126   27.641    134.304   27.248    35.206  2.9587  31.033  3.3301  4.173178       4.454590 
1 1 1 12  -28 17 f 95.676  2.4364  1268.10   62.427    1280.87   87.793    1255.03   88.785    96.199  3.4072  95.154  3.4836  1.045120       4.872837 
1 1 1 12  -28 18 o 36.773  2.1337  187.233   20.828    184.365   29.499    190.085   29.411    36.479  3.0470  37.068  2.9877  -0.5887375     4.267339 
1 1 1 12  -28 19 o 44.393  2.0983  272.834   24.736    295.086   34.987    250.596   34.977    46.272  2.8366  42.514  3.0928  3.758305       4.196628 
1 1 1 12  -28 20 o 13.226  2.9993  22.755    12.544    35.910    18.761    12.120    16.868    15.635  4.3311  10.817  4.1504  4.817468       5.998698 
1 1 1 12  -28 21 o 43.784  2.0824  266.243   24.181    239.483   34.082    293.367   34.313    41.481  3.0896  46.087  2.7928  -4.605480      4.164818 
1 1 1 12  -28 22 o 31.920  2.2739  142.932   19.152    152.464   27.566    134.039   26.627    32.982  3.1590  30.858  3.2715  2.123835       4.547744 
1 1 1 12  -28 23 o 40.775  2.0820  231.620   22.581    236.740   32.268    226.705   31.612    41.220  2.9420  40.330  2.9468  0.8898048      4.164022 
1 1 1 12  -28 24 o 29.300  2.3894  121.839   18.288    139.541   26.577    105.919   25.204    31.424  3.2024  27.177  3.5471  4.247284       4.778794 
1 1 1 12  -28 25 o 16.639  3.2944  41.901    15.331    49.869    22.575    35.081    20.886    18.034  4.6452  15.243  4.6726  2.790632       6.588736 
1 1 1 12  -28 26 o 37.505  2.2575  200.202   22.412    192.607   32.292    207.259   31.130    36.728  3.3184  38.282  3.0616  -1.554115      4.515002 
1 1 1 12  -28 27 o 34.537  2.3196  171.503   21.136    160.955   30.236    181.583   29.557    33.383  3.4303  35.691  3.1233  -2.307674      4.639123 
1 1 1 12  -28 28 f 27.895  2.6209  114.787   18.912    133.864   27.377    97.373    26.156    30.316  3.4319  25.474  3.9622  4.842205       5.241878 
1 1 1 12  -28 29 o 17.587  3.3324  50.002    16.084    45.048    23.163    54.615    22.352    16.649  4.8792  18.524  4.5402  -1.874651      6.664835 
1 1 1 12  -28 30 o 40.117  2.3016  235.038   24.481    239.732   35.737    230.887   33.605    40.418  3.3307  39.817  3.1775  0.6010780      4.603279 
1 1 1 12  -28 31 o 34.995  2.4520  184.001   22.489    164.358   32.216    202.669   31.407    32.877  3.7240  37.112  3.1906  -4.234070      4.903904 
1 1 1 12  -28 32 f 22.511  3.2624  84.279    19.015    74.119    26.640    94.831    27.149    20.841  4.8613  24.180  4.3519  -3.338734      6.524726 
1 1 1 12  -28 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -28 34 o 15.479  3.5356  44.195    17.899    26.286    26.081    60.142    24.611    12.715  5.0763  18.243  4.9227  -5.527695      7.071179 
1 1 1 12  -28 35 o 15.623  3.6778  47.142    18.028    45.713    25.916    48.482    25.095    15.351  5.2460  15.895  5.1560  -0.5438652     7.355618 
1 1 1 12  -28 36 o 7.2821  2.4901  -24.6738  15.052    -12.7132  20.682    -38.1456  21.949    7.8871  3.7260  6.6772  3.3045  1.209927       4.980198 
1 1 1 12  -28 37 o 13.201  3.6665  33.804    19.034    37.439    26.628    30.006    27.219    13.689  5.2236  12.712  5.1467  0.9767923      7.333056 
1 1 1 12  -28 38 o 9.5820  3.1013  -0.5857   18.524    -17.2686  26.860    14.546    25.580    8.4574  4.0642  10.707  4.6855  -2.249133      6.202588 
1 1 1 12  -28 39 o 7.5263  2.5915  -23.5786  16.873    -16.1450  23.383    -31.6556  24.374    7.8485  3.7766  7.2041  3.5497  0.6443405      5.182950 
1 1 1 12  -28 40 o 13.817  3.8020  49.076    21.544    29.296    30.847    67.911    30.101    11.536  5.0936  16.097  5.6460  -4.560954      7.604028 
1 1 1 12  -28 41 o 10.193  3.2904  16.400    20.942    -5.8402   30.165    37.092    29.096    8.6981  4.2109  11.688  5.0572  -2.990077      6.580792 
1 1 1 12  -27 0  o 22.405  2.4025  70.662    13.866    80.241    19.658    61.177    19.561    24.026  3.1290  20.785  3.6466  3.240627       4.805022 
1 1 1 12  -27 1  o 20.499  2.5885  60.121    13.588    50.207    19.523    69.434    18.923    18.703  4.0170  22.294  3.2658  -3.590523      5.176994 
1 1 1 12  -27 2  o 40.872  1.9870  228.605   21.572    247.089   30.697    210.570   30.323    42.543  2.7080  39.201  2.9086  3.341492       3.974034 
1 1 1 12  -27 3  o 38.463  2.0169  202.431   20.614    213.285   29.446    191.999   28.868    39.494  2.8018  37.433  2.9020  2.061104       4.033799 
1 1 1 12  -27 4  o 8.7501  2.5212  4.4300    9.2168    3.1560    14.376    5.3191    12.010    8.8807  3.6835  8.6194  3.4435  0.2612705      5.042386 
1 1 1 12  -27 5  o 32.588  2.0233  145.688   17.470    142.106   24.922    149.148   24.495    32.174  2.9238  33.001  2.7975  -0.8268394     4.046582 
1 1 1 12  -27 6  o 33.910  2.0652  157.610   18.557    166.744   26.578    148.921   25.922    34.889  2.8696  32.932  2.9707  1.956944       4.130332 
1 1 1 12  -27 7  o 45.434  1.9817  281.958   23.935    307.267   34.092    257.359   33.610    47.486  2.6915  43.382  2.9094  4.104671       3.963383 
1 1 1 12  -27 8  o 19.004  2.7153  51.345    13.345    62.477    19.347    41.240    18.433    21.068  3.5549  16.940  4.1054  4.128277       5.430594 
1 1 1 12  -27 9  o 62.108  2.0685  525.574   34.395    544.471   48.669    506.721   48.613    63.242  2.8732  60.974  2.9766  2.268009       4.137064 
1 1 1 12  -27 10 o 44.178  2.0084  266.799   23.623    276.503   33.330    257.003   33.487    45.007  2.7784  43.348  2.9009  1.659203       4.016833 
1 1 1 12  -27 11 o 16.212  2.9274  37.248    12.852    46.510    19.012    29.454    17.440    18.001  4.0420  14.423  4.2357  3.578258       5.854805 
1 1 1 12  -27 12 o 46.326  2.0581  293.583   25.407    294.820   35.789    292.326   36.075    46.431  2.8921  46.221  2.9290  0.2100182      4.116232 
1 1 1 12  -27 13 o 62.905  2.0949  539.799   35.295    533.133   49.590    546.642   50.246    62.512  2.9617  63.299  2.9636  -0.7862701     4.189814 
1 1 1 12  -27 14 o 34.391  2.2150  163.210   20.133    151.204   28.407    175.328   28.538    33.073  3.2487  35.710  3.0117  -2.636875      4.429918 
1 1 1 12  -27 15 o 51.060  2.0251  356.589   27.582    349.824   38.672    363.592   39.350    50.564  2.8672  51.555  2.8608  -0.9906578     4.050288 
1 1 1 12  -27 16 o 52.911  2.0113  383.067   28.398    383.538   39.921    382.584   40.404    52.952  2.8249  52.870  2.8639  0.8127213E-01  4.022678 
1 1 1 12  -27 17 o 31.108  2.1618  133.775   17.771    129.957   25.204    137.549   25.060    30.645  3.1139  31.571  2.9995  -0.9264297     4.323554 
1 1 1 12  -27 18 o 31.348  2.2176  136.113   18.318    148.611   26.218    124.194   25.605    32.805  3.0176  29.892  3.2504  2.913269       4.435217 
1 1 1 12  -27 19 o 9.2703  2.7123  1.6276    11.255    11.233    16.954    -5.9420   15.050    10.745  4.1508  7.7959  3.4925  2.948810       5.424620 
1 1 1 12  -27 20 o 51.955  2.0203  370.871   28.005    376.167   39.653    365.601   39.557    52.335  2.8394  51.576  2.8749  0.7584457      4.040656 
1 1 1 12  -27 21 o 45.871  2.0282  290.037   24.766    276.653   35.180    303.187   34.871    44.781  2.9495  46.961  2.7847  -2.179863      4.056382 
1 1 1 12  -27 22 o 23.625  2.5347  79.049    15.471    89.553    22.559    69.722    21.257    25.184  3.4339  22.067  3.7292  3.116341       5.069406 
1 1 1 12  -27 23 f 14.689  3.0796  31.162    13.165    38.235    18.802    24.359    18.439    16.107  4.2837  13.270  4.4254  2.836827       6.159117 
1 1 1 12  -27 24 o 43.530  2.0802  263.267   24.077    249.253   34.155    277.111   33.946    42.325  3.0329  44.735  2.8478  -2.410412      4.160366 
1 1 1 12  -27 25 o 7.5829  2.4553  -15.2806  12.057    -33.5337  17.763    0.3112    16.418    6.2956  3.0877  8.8701  3.8184  -2.574574      4.910603 
1 1 1 12  -27 26 o 9.4596  2.8349  1.4055    12.853    -8.3093   19.050    9.5240    17.414    8.5280  3.8651  10.391  4.1482  -1.863032      5.669761 
1 1 1 12  -27 27 o 8.2302  2.5941  -11.0948  12.686    -31.1684  18.666    6.1382    17.295    6.6452  3.2389  9.8152  4.0530  -3.170024      5.188210 
1 1 1 12  -27 28 o 26.258  2.6121  99.894    17.659    120.847   26.127    82.272    23.960    28.952  3.4362  23.564  3.9350  5.387894       5.224128 
1 1 1 12  -27 29 o 26.185  2.7151  100.826   18.256    122.666   26.970    82.358    24.801    29.001  3.5459  23.368  4.1126  5.632648       5.430132 
1 1 1 12  -27 30 o 26.304  2.7538  104.547   18.608    93.023    27.058    114.888   25.631    24.634  4.2546  27.973  3.4973  -3.339228      5.507515 
1 1 1 12  -27 31 o 37.732  2.3516  208.472   23.466    201.806   33.919    214.592   32.497    37.019  3.4610  38.444  3.1846  -1.424866      4.703196 
1 1 1 12  -27 32 o 38.276  2.4246  218.127   24.496    206.132   35.368    229.185   33.959    37.057  3.6091  39.495  3.2386  -2.438049      4.849143 
1 1 1 12  -27 33 o 31.868  2.6835  157.146   22.063    184.802   31.347    129.998   31.058    35.105  3.3754  28.632  4.1725  6.473495       5.366908 
1 1 1 12  -27 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -27 35 o 14.396  5.2143  38.146    25.880    0.0000    0.0000    38.146    25.880    ?       ?       14.396  5.2143  ?              ?        
1 1 1 12  -27 36 o 8.7846  2.8832  -7.3603   16.242    -7.7492   22.505    -6.9374   23.466    8.6704  4.0277  8.8988  4.1265  -0.2284718     5.766352 
1 1 1 12  -27 37 o 17.873  2.8219  49.736    18.840    120.102   27.178    -15.3585  26.140    27.081  3.8556  8.6651  4.1214  18.41593       5.643760 
1 1 1 12  -27 38 o 13.509  3.7021  36.058    19.127    40.838    27.826    31.776    26.336    14.088  5.3484  12.931  5.1203  1.157311       7.404219 
1 1 1 12  -27 39 o 8.6042  2.8678  -12.8135  17.573    -30.5668  24.696    5.3953    25.011    7.4158  3.6379  9.7927  4.4344  -2.376873      5.735653 
1 1 1 12  -27 40 f 9.8522  3.1779  6.7107    18.809    14.602    25.950    -2.0237   27.302    10.451  4.6403  9.2531  4.3431  1.198256       6.355702 
1 1 1 12  -27 41 o 14.491  3.9972  58.769    22.564    69.109    32.666    49.334    31.204    15.563  5.8195  13.418  5.4812  2.145677       7.994357 
1 1 1 12  -26 0  f 14.247  2.7392  28.782    10.727    30.836    15.535    26.911    14.831    14.707  3.8856  13.787  3.8620  0.9203749      5.478404 
1 1 1 12  -26 1  o 31.233  2.0656  134.237   16.954    151.564   24.020    117.037   23.933    33.314  2.7155  29.152  3.1132  4.162394       4.131101 
1 1 1 12  -26 2  o 71.592  2.1222  697.362   40.690    693.015   57.877    701.611   57.219    71.362  3.0280  71.823  2.9743  -0.4612427     4.244410 
1 1 1 12  -26 3  o 37.565  1.9747  192.659   19.713    186.600   28.058    198.565   27.701    36.962  2.8562  38.168  2.7276  -1.205276      3.949420 
1 1 1 12  -26 4  o 27.649  2.1289  105.054   15.488    112.382   22.186    98.089    21.631    28.617  2.9360  26.681  3.0837  1.935862       4.257861 
1 1 1 12  -26 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -26 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -26 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -26 8  o 9.6780  4.1381  0.0846    19.047    0.0846    19.047    0.0000    0.0000    9.6780  4.1381  ?       ?       ?              ?        
1 1 1 12  -26 9  o 36.298  2.3488  184.166   21.782    195.019   27.991    167.503   34.682    37.824  2.7824  34.771  3.7850  3.052334       4.697683 
1 1 1 12  -26 10 o 24.415  2.3291  82.742    14.696    96.548    21.126    69.796    20.457    26.486  3.0325  22.344  3.5358  4.141478       4.658116 
1 1 1 12  -26 11 o 25.940  2.2973  93.192    15.495    106.102   22.167    80.854    21.669    27.779  3.0283  24.102  3.4554  3.676243       4.594576 
1 1 1 12  -26 12 o 88.591  2.2960  1069.97   54.482    1071.38   76.920    1068.56   77.179    88.653  3.2393  88.529  3.2548  0.1242981      4.592038 
1 1 1 12  -26 13 o 31.213  2.1654  133.807   17.868    131.375   25.142    136.289   25.399    30.920  3.0767  31.506  3.0478  -0.5856476     4.330719 
1 1 1 12  -26 14 o 17.105  2.8169  42.779    13.335    21.384    19.121    63.036    18.606    12.980  4.5028  21.229  3.3858  -8.249632      5.633750 
1 1 1 12  -26 15 o 20.825  2.7635  64.992    14.625    32.961    20.933    95.534    20.441    15.311  4.6752  26.338  2.9480  -11.02716      5.527065 
1 1 1 12  -26 16 o 19.680  3.6806  54.844    18.688    54.844    18.688    0.0000    0.0000    19.680  3.6806  ?       ?       ?              ?        
1 1 1 12  -26 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -26 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -26 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -26 20 o 22.390  3.5338  70.689    20.490    0.0000    0.0000    70.689    20.490    ?       ?       22.390  3.5338  ?              ?        
1 1 1 12  -26 21 o 37.973  2.0198  197.894   20.370    210.885   29.404    185.906   28.246    39.188  2.8202  36.758  2.8922  2.429928       4.039589 
1 1 1 12  -26 22 o 14.218  3.0462  28.166    12.819    36.755    18.725    20.589    17.587    15.896  4.2958  12.540  4.3203  3.356368       6.092483 
1 1 1 12  -26 23 o 28.866  2.3111  116.195   17.515    126.386   25.305    106.823   24.268    30.123  3.1847  27.610  3.3501  2.512350       4.622229 
1 1 1 12  -26 24 o 29.791  2.3257  124.285   17.772    159.001   25.949    93.612    24.391    33.900  2.8852  25.681  3.6484  8.218920       4.651366 
1 1 1 12  -26 25 o 48.960  2.0442  331.194   26.684    336.757   38.112    325.845   37.374    49.362  2.8952  48.557  2.8866  0.8044395      4.088373 
1 1 1 12  -26 26 o 7.8193  2.5352  -11.5207  12.026    -5.1399   17.932    -16.7360  16.212    8.6211  3.8408  7.0175  3.3102  1.603613       5.070369 
1 1 1 12  -26 27 f 30.339  2.4363  132.932   18.888    103.724   27.115    160.463   26.325    26.774  3.8952  33.904  2.9276  -7.129530      4.872686 
1 1 1 12  -26 28 o 32.313  2.3280  149.275   19.651    132.608   28.542    164.297   27.096    30.412  3.5718  34.213  2.9867  -3.800571      4.656013 
1 1 1 12  -26 29 o 14.958  3.0658  33.062    14.817    8.9167    21.884    53.504    20.135    11.041  4.5592  18.875  4.1000  -7.834052      6.131599 
1 1 1 12  -26 30 o 24.152  2.8169  87.243    17.516    79.793    25.106    94.308    24.450    22.969  4.2368  25.334  3.7135  -2.364180      5.633829 
1 1 1 12  -26 31 o 23.791  2.9422  86.000    18.034    87.443    26.372    84.733    24.717    23.905  4.2759  23.677  4.0426  0.2279968      5.884386 
1 1 1 12  -26 32 o 14.307  3.3571  31.630    15.692    19.232    22.561    43.246    21.839    12.258  4.7734  16.356  4.7218  -4.098648      6.714234 
1 1 1 12  -26 33 o 8.3799  2.7475  -13.0027  14.885    -21.8701  20.966    -3.9898   21.137    7.6375  3.6488  9.1223  4.1086  -1.484803      5.494921 
1 1 1 12  -26 34 o 14.989  3.5664  38.292    16.933    42.029    24.681    34.969    23.274    15.563  5.1166  14.414  4.9697  1.148365       7.132830 
1 1 1 12  -26 35 o 11.527  4.8164  15.625    24.840    15.625    24.840    0.0000    0.0000    11.527  4.8164  ?       ?       ?              ?        
1 1 1 12  -26 36 o 10.377  4.5515  7.1105    24.258    0.0000    0.0000    7.1105    24.258    ?       ?       10.377  4.5515  ?              ?        
1 1 1 12  -26 37 o 11.000  3.2896  12.129    17.246    -1.0428   23.832    26.612    24.990    9.4385  4.2953  12.562  4.9835  -3.123508      6.579101 
1 1 1 12  -26 38 o 9.2511  3.0130  -4.1051   17.309    3.8278    25.143    -11.2512  23.864    9.9422  4.4791  8.5600  4.0312  1.382154       6.026036 
1 1 1 12  -26 39 o 10.376  3.2671  8.7951    18.422    13.352    25.457    3.7855    26.691    10.750  4.6900  10.003  4.5495  0.7469511      6.534122 
1 1 1 12  -26 40 o 18.933  4.0727  81.124    22.662    91.862    32.676    71.174    31.456    20.372  5.7416  17.493  5.7775  2.879019       8.145305 
1 1 1 12  -26 41 o 14.769  3.8725  52.115    21.915    77.713    31.670    28.594    30.357    17.721  5.7944  11.816  5.1390  5.905345       7.744967 
1 1 1 12  -26 42 o 11.175  3.5268  26.750    21.965    14.533    32.167    37.422    30.065    10.257  4.7815  12.093  5.1856  -1.836503      7.053595 
1 1 1 12  -25 0  o 24.774  2.1726  84.428    14.056    93.778    20.352    75.901    19.436    26.126  2.9606  23.421  3.1804  2.705021       4.345129 
1 1 1 12  -25 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -25 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -25 3  o 48.482  1.9250  318.946   24.896    322.047   35.389    315.907   35.032    48.716  2.7230  48.249  2.7218  0.4678192      3.850073 
1 1 1 12  -25 4  o 71.520  2.0817  692.979   39.873    690.753   56.771    695.146   56.014    71.400  2.9685  71.640  2.9191  -0.2403793     4.163311 
1 1 1 12  -25 5  o 37.366  1.9489  189.866   19.364    186.168   27.458    193.524   27.312    36.995  2.7916  37.737  2.7203  -0.7421303     3.897803 
1 1 1 12  -25 6  o 65.177  2.0322  574.829   35.475    582.594   50.500    567.264   49.845    65.612  2.8735  64.743  2.8743  0.8691711      4.064363 
1 1 1 12  -25 7  o 61.466  1.9974  511.026   32.884    516.011   46.654    506.103   46.357    61.765  2.8201  61.167  2.8295  0.5978317      3.994861 
1 1 1 12  -25 8  o 75.458  2.1247  771.235   42.940    760.643   60.820    781.762   60.633    74.935  3.0302  75.982  2.9793  -1.047478      4.249491 
1 1 1 12  -25 9  f 34.561  2.0472  162.698   18.764    154.926   26.305    170.748   26.772    33.706  2.9433  35.417  2.8462  -1.711060      4.094384 
1 1 1 12  -25 10 o 14.916  2.7387  32.036    11.367    21.169    16.826    41.159    15.417    12.731  4.2265  17.100  3.4841  -4.369322      5.477480 
1 1 1 12  -25 11 o 57.763  2.0007  451.951   30.891    435.874   43.434    468.406   43.943    56.679  2.8703  58.847  2.7879  -2.167255      4.001401 
1 1 1 12  -25 12 o 98.402  2.4158  1316.77   63.671    1325.85   90.044    1307.69   90.044    98.747  3.4044  98.058  3.4283  0.6890030      4.831500 
1 1 1 12  -25 13 o 37.477  2.1223  191.798   21.094    201.704   29.692    181.704   29.972    38.483  2.9020  36.470  3.0975  2.012302       4.244535 
1 1 1 12  -25 14 o 87.068  2.2540  1030.43   52.536    1059.69   73.892    1000.51   74.709    88.344  3.1227  85.792  3.2511  2.551529       4.507911 
1 1 1 12  -25 15 o 63.226  2.0027  542.043   33.897    554.192   47.521    529.458   48.365    63.963  2.7738  62.489  2.8896  1.473804       4.005448 
1 1 1 12  -25 16 o 27.596  2.2139  104.940   16.050    100.529   22.909    109.192   22.493    26.994  3.2328  28.197  3.0255  -1.203167      4.427767 
1 1 1 12  -25 17 o 31.331  2.0795  134.904   17.142    119.316   24.224    150.539   24.261    29.454  3.1180  33.208  2.7523  -3.754297      4.158981 
1 1 1 12  -25 18 o 37.398  1.9543  190.961   19.420    182.949   27.527    198.902   27.403    36.595  2.8303  38.200  2.6955  -1.604881      3.908508 
1 1 1 12  -25 19 o 35.939  1.9821  176.676   18.868    194.339   26.946    159.686   26.427    37.744  2.6829  34.135  2.9184  3.608170       3.964244 
1 1 1 12  -25 20 o 44.105  1.9528  265.668   22.944    261.277   32.719    269.917   32.184    43.731  2.8082  44.479  2.7144  -0.7484436     3.905623 
1 1 1 12  -25 21 o 8.2240  3.6478  -4.8602   15.998    -4.8602   15.998    0.0000    0.0000    8.2240  3.6478  ?       ?       ?              ?        
1 1 1 12  -25 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -25 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -25 24 o 35.645  2.1182  175.826   19.969    170.263   29.128    180.759   27.430    35.058  3.1350  36.233  2.8494  -1.174610      4.236435 
1 1 1 12  -25 25 o 14.256  3.1962  28.775    13.684    28.207    20.049    29.271    18.722    14.189  4.6089  14.324  4.4296  -0.1346636     6.392415 
1 1 1 12  -25 26 o 42.254  2.0315  247.040   22.800    233.584   32.680    259.800   31.826    41.073  2.9911  43.436  2.7497  -2.362274      4.062963 
1 1 1 12  -25 27 o 37.734  2.1479  198.558   21.460    188.749   30.985    207.600   29.750    36.765  3.1777  38.703  2.8907  -1.937508      4.295819 
1 1 1 12  -25 28 o 33.913  2.2438  161.085   20.124    170.560   29.097    152.396   27.863    34.887  3.1478  32.939  3.1984  1.947338       4.487540 
1 1 1 12  -25 29 o 14.679  3.0318  29.875    14.011    50.553    20.214    10.753    19.438    18.404  4.1941  10.953  4.3791  7.450881       6.063551 
1 1 1 12  -25 30 o 26.057  2.6261  98.195    17.758    108.321   26.099    89.466    24.233    27.352  3.6538  24.761  3.7730  2.590752       5.252181 
1 1 1 12  -25 31 o 38.866  2.3149  216.409   23.779    205.196   34.471    226.589   32.846    37.768  3.4455  39.964  3.0926  -2.195770      4.629864 
1 1 1 12  -25 32 o 28.446  2.7094  119.549   19.879    142.811   29.066    99.104    27.249    31.269  3.5324  25.623  4.1093  5.645586       5.418864 
1 1 1 12  -25 33 o 21.448  3.1997  74.400    17.919    52.456    25.776    94.923    24.928    17.792  5.1280  25.104  3.8285  -7.312059      6.399498 
1 1 1 12  -25 34 o 16.221  3.4977  43.639    17.219    29.777    24.265    57.698    24.438    13.806  5.0416  18.635  4.8494  -4.828968      6.995322 
1 1 1 12  -25 35 o 14.091  3.4843  32.989    16.354    37.722    22.658    27.842    23.629    14.906  4.9025  13.276  4.9524  1.629915       6.968534 
1 1 1 12  -25 36 o 37.034  3.8980  215.895   38.086    215.895   38.086    0.0000    0.0000    37.034  3.8980  ?       ?       ?              ?        
1 1 1 12  -25 37 o 25.132  4.7747  109.709   30.966    0.0000    0.0000    109.709   30.966    ?       ?       25.132  4.7747  ?              ?        
1 1 1 12  -25 38 o 10.429  3.2431  8.0192    17.547    3.0963    24.206    13.471    25.474    9.8453  4.4186  11.012  4.7483  -1.166781      6.486193 
1 1 1 12  -25 39 o 10.548  3.2563  -0.7872   19.436    -33.2533  27.158    33.300    27.828    7.8503  3.8435  13.245  5.2575  -5.395031      6.512618 
1 1 1 12  -25 40 o 12.065  3.6158  24.264    20.436    32.417    29.072    16.301    28.734    12.901  5.2826  11.229  4.9387  1.671402       7.231662 
1 1 1 12  -25 41 o 8.1335  2.7805  -22.5355  18.695    -6.5166   26.147    -39.2917  26.742    8.9409  4.2133  7.3260  3.6295  1.614959       5.561031 
1 1 1 12  -25 42 o 8.2820  2.8266  -15.3075  18.935    -8.7431   26.329    -22.3393  27.250    8.5887  4.0993  7.9752  3.8929  0.6134653      5.653227 
1 1 1 12  -25 43 o 8.1027  2.7683  -20.1258  19.040    11.451    26.333    -54.7172  27.562    9.6091  4.4259  6.5963  3.3265  3.012878       5.536582 
1 1 1 12  -24 0  o 66.656  2.0498  601.078   36.587    597.382   52.218    604.642   51.280    66.447  2.9340  66.865  2.8632  -0.4187698     4.099545 
1 1 1 12  -24 1  o 68.804  2.0693  640.046   38.118    667.279   54.288    613.564   53.534    70.257  2.8849  67.351  2.9675  2.905357       4.138657 
1 1 1 12  -24 2  o 11.073  2.6497  15.443    9.3733    13.392    13.113    17.587    13.404    10.577  3.7252  11.569  3.7690  -0.9914494     5.299322 
1 1 1 12  -24 3  o 65.597  2.0077  581.175   35.268    573.159   50.167    589.009   49.591    65.143  2.8752  66.051  2.8030  -0.9083862     4.015421 
1 1 1 12  -24 4  o 68.961  2.0331  641.981   37.551    651.589   53.536    632.677   52.684    69.468  2.8772  68.453  2.8734  1.014839       4.066276 
1 1 1 12  -24 5  o 81.279  2.1816  892.977   47.485    882.220   67.540    903.491   66.775    80.787  3.1213  81.772  3.0488  -0.9854660     4.363163 
1 1 1 12  -24 6  o 39.838  1.9507  215.169   20.669    224.620   29.233    205.721   29.229    40.728  2.6950  38.948  2.8209  1.779617       3.901339 
1 1 1 12  -24 7  o 100.497 2.3993  1367.14   64.577    1354.39   91.714    1379.68   90.941    100.022 3.4233  100.971 3.3626  -0.9488373     4.798578 
1 1 1 12  -24 8  o 45.045  1.9463  274.953   23.333    291.332   32.927    258.433   33.069    46.415  2.6596  43.675  2.8422  2.739361       3.892557 
1 1 1 12  -24 9  o 82.421  2.1949  917.898   48.452    926.500   68.506    909.289   68.538    82.811  3.0886  82.031  3.1194  0.7799530      4.389708 
1 1 1 12  -24 10 o 122.715 2.7600  2045.67   90.708    2013.98   128.348   2077.30   128.213   121.751 3.9358  123.679 3.8703  -1.928291      5.519954 
1 1 1 12  -24 11 o 37.411  2.1129  190.804   20.913    206.953   29.364    174.179   29.793    39.062  2.8256  35.761  3.1423  3.300587       4.225868 
1 1 1 12  -24 12 o 54.820  1.9585  406.061   28.698    406.942   40.119    405.138   41.067    54.922  2.7272  54.718  2.8116  0.2046700      3.916938 
1 1 1 12  -24 13 o 88.561  2.2584  1062.03   53.536    1097.94   75.342    1025.41   76.087    90.095  3.1221  87.028  3.2641  3.066765       4.516847 
1 1 1 12  -24 14 o 113.273 2.5816  1743.82   78.281    1803.10   110.378   1683.84   111.038   115.243 3.5758  111.303 3.7246  3.940544       5.163240 
1 1 1 12  -24 15 o 54.122  1.9351  395.767   27.964    369.269   38.939    423.988   40.185    52.206  2.7948  56.039  2.6772  -3.832317      3.870215 
1 1 1 12  -24 16 o 29.019  2.0883  115.156   15.954    126.132   22.778    104.587   22.351    30.415  2.8285  27.623  3.0730  2.791395       4.176596 
1 1 1 12  -24 17 o 47.235  1.9107  302.631   24.065    292.880   33.932    312.498   34.134    46.459  2.7389  48.011  2.6648  -1.552261      3.821375 
1 1 1 12  -24 18 o 84.465  2.1843  968.538   49.398    937.605   69.822    999.538   69.897    83.097  3.1370  85.834  3.0403  -2.736290      4.368534 
1 1 1 12  -24 19 o 13.811  2.9270  26.533    11.681    27.092    16.698    25.997    16.346    13.940  4.1576  13.682  4.1212  0.2584925      5.854065 
1 1 1 12  -24 20 o 60.809  1.9637  501.646   31.971    520.307   45.382    483.259   45.049    61.944  2.7353  59.675  2.8184  2.268806       3.927476 
1 1 1 12  -24 21 o 29.784  2.0987  121.698   16.509    126.934   23.848    116.880   22.876    30.405  2.9661  29.164  2.9700  1.241230       4.197495 
1 1 1 12  -24 22 o 10.193  2.7989  9.0966    11.096    4.2701    16.240    13.323    15.197    9.5271  3.9302  10.858  3.9861  -1.330743      5.597806 
1 1 1 12  -24 23 o 14.447  3.0202  29.707    12.532    26.860    18.520    32.111    17.020    13.927  4.4203  14.967  4.1168  -1.040323      6.040423 
1 1 1 12  -24 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -24 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -24 26 o 55.077  2.0512  416.601   30.138    430.167   43.496    404.074   41.797    55.935  2.9133  54.220  2.8885  1.715359       4.102487 
1 1 1 12  -24 27 o 19.405  2.8824  54.857    14.610    73.786    21.187    37.694    20.174    22.778  3.5917  16.032  4.5091  6.746000       5.764750 
1 1 1 12  -24 28 o 30.112  2.3057  127.948   18.142    114.571   26.182    140.302   25.161    28.468  3.5078  31.755  2.9934  -3.287050      4.611434 
1 1 1 12  -24 29 o 30.146  2.3814  128.715   18.819    121.340   27.224    135.463   26.042    29.222  3.5512  31.069  3.1739  -1.846861      4.762818 
1 1 1 12  -24 30 o 32.111  2.3873  146.439   20.167    141.617   29.253    150.805   27.840    31.523  3.5249  32.699  3.2205  -1.175508      4.774608 
1 1 1 12  -24 31 o 8.6801  2.5997  -14.1715  12.903    -47.1342  18.644    16.127    17.875    5.8386  2.9150  11.522  4.3055  -5.682959      5.199473 
1 1 1 12  -24 32 o 15.309  3.2607  35.613    15.645    17.240    22.900    51.692    21.423    12.274  4.8010  18.345  4.4135  -6.071906      6.521348 
1 1 1 12  -24 33 o 21.907  3.1023  74.089    17.562    90.383    25.297    58.931    24.399    24.533  3.9865  19.281  4.7544  5.252008       6.204606 
1 1 1 12  -24 34 o 23.353  3.1619  85.636    19.048    83.177    27.248    87.987    26.638    22.920  4.5984  23.785  4.3411  -0.8651199     6.323792 
1 1 1 12  -24 35 o 24.264  3.2484  95.870    20.187    74.537    28.751    116.611   28.349    20.977  5.1540  27.550  3.9553  -6.572247      6.496766 
1 1 1 12  -24 36 o 23.592  3.4239  93.127    20.905    107.384   30.543    80.561    28.674    25.537  4.6361  21.647  5.0397  3.889738       6.847740 
1 1 1 12  -24 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -24 38 o 22.916  3.7209  98.538    22.923    127.363   32.600    70.347    32.239    27.242  4.6336  18.589  5.8232  8.652981       7.441764 
1 1 1 12  -24 39 f 13.440  3.5984  31.119    19.508    51.515    26.953    8.6796    28.271    16.087  5.3497  10.792  4.8142  5.295228       7.196888 
1 1 1 12  -24 40 o 16.645  4.1020  60.959    22.454    58.030    31.321    64.055    32.207    16.277  5.7547  17.013  5.8472  -0.7354603     8.204032 
1 1 1 12  -24 41 o 11.351  3.4990  17.303    20.207    29.266    29.440    6.6472    27.785    12.455  5.2265  10.248  4.6536  2.207074       6.997979 
1 1 1 12  -24 42 o 13.631  3.9319  45.040    22.854    39.309    33.429    50.069    31.316    12.981  5.5145  14.281  5.6062  -1.300206      7.863784 
1 1 1 12  -24 43 o 8.9195  2.9623  -11.1457  18.901    22.797    27.458    -41.7091  26.056    10.923  4.8150  6.9164  3.4520  4.006171       5.924551 
1 1 1 12  -23 0  o 66.672  2.0312  599.552   36.270    605.750   51.737    593.563   50.860    67.009  2.8826  66.335  2.8625  0.6741333      4.062368 
1 1 1 12  -23 1  o 27.473  2.0292  103.029   14.665    111.472   20.745    94.593    20.735    28.633  2.7382  26.313  2.9953  2.320419       4.058323 
1 1 1 12  -23 2  o 47.402  1.9059  303.601   24.096    297.961   34.017    309.282   34.138    46.956  2.7163  47.849  2.6744  -0.8930206     3.811886 
1 1 1 12  -23 3  o 112.780 2.5767  1722.25   77.735    1631.69   110.395   1811.32   109.479   109.802 3.7536  115.758 3.5309  -5.955757      5.153384 
1 1 1 12  -23 4  o 47.451  1.9248  304.522   24.320    285.666   34.481    323.189   34.306    45.969  2.8140  48.933  2.6271  -2.964439      3.849685 
1 1 1 12  -23 5  o 126.557 2.8010  2169.78   94.896    2101.41   134.806   2236.95   133.610   124.552 4.0408  128.563 3.8800  -4.011002      5.602035 
1 1 1 12  -23 6  o 71.350  2.0462  685.720   39.105    686.756   55.472    684.697   55.135    71.403  2.9005  71.298  2.8871  0.1052704      4.092465 
1 1 1 12  -23 7  o 133.459 2.8626  2412.10   102.322   2401.44   145.247   2422.59   144.169   133.158 4.0724  133.760 4.0240  -0.6027832     5.725120 
1 1 1 12  -23 8  o 57.615  1.9914  447.669   30.622    414.796   42.992    481.521   43.626    55.419  2.9064  59.811  2.7232  -4.392616      3.982805 
1 1 1 12  -23 9  o 80.830  2.1488  880.558   46.513    857.933   65.583    903.456   65.979    79.781  3.0691  81.880  3.0084  -2.099586      4.297624 
1 1 1 12  -23 10 o 125.747 2.8009  2140.89   94.332    2114.39   133.308   2167.46   133.504   124.961 3.9828  126.534 3.9391  -1.573402      5.601751 
1 1 1 12  -23 11 o 62.722  2.0188  529.583   33.887    499.362   47.317    561.404   48.554    60.880  2.9017  64.564  2.8077  -3.683578      4.037694 
1 1 1 12  -23 12 f 59.095  2.0199  470.726   31.856    433.248   44.382    510.552   45.751    56.622  2.9365  61.568  2.7743  -4.946068      4.039749 
1 1 1 12  -23 13 o 136.962 2.8931  2544.70   106.134   2537.87   149.736   2551.60   150.460   136.779 4.0871  137.145 4.0959  -0.3657379     5.786281 
1 1 1 12  -23 14 o 21.430  2.6230  65.904    14.173    47.361    20.617    82.521    19.517    18.310  4.2805  24.549  3.0326  -6.239344      5.245909 
1 1 1 12  -23 15 o 8.4756  2.4456  -1.9610   10.171    -21.9013  15.789    12.184    13.298    6.5854  3.1517  10.366  3.7403  -3.780252      4.891145 
1 1 1 12  -23 16 o 17.039  2.7884  41.521    12.647    29.775    18.157    52.589    17.626    14.664  4.3264  19.415  3.5191  -4.750494      5.576866 
1 1 1 12  -23 17 o 55.201  1.8782  411.027   27.767    405.016   39.368    416.977   39.169    54.796  2.6823  55.607  2.6298  -0.8109360     3.756441 
1 1 1 12  -23 18 f 82.535  2.1465  921.449   47.440    950.432   67.393    892.982   66.790    83.831  3.0014  81.240  3.0694  2.591309       4.292986 
1 1 1 12  -23 19 o 38.002  1.9056  196.009   19.266    197.639   27.621    194.464   26.886    38.152  2.7207  37.853  2.6689  0.2996216      3.811213 
1 1 1 12  -23 20 o 25.009  2.2543  86.345    14.521    104.953   21.005    69.312    20.096    27.698  2.8730  22.319  3.4746  5.378965       4.508532 
1 1 1 12  -23 21 o 43.780  1.8981  260.223   22.143    266.172   31.810    254.631   30.842    44.264  2.6959  43.295  2.6727  0.9684753      3.796196 
1 1 1 12  -23 22 o 21.983  2.4390  67.426    13.874    68.623    20.167    66.351    19.115    22.155  3.5159  21.811  3.3814  0.3440247      4.878026 
1 1 1 12  -23 23 o 10.070  2.7851  8.1319    11.160    1.5481    16.541    13.633    15.120    9.2220  3.8962  10.919  3.9809  -1.696784      5.570299 
1 1 1 12  -23 24 o 28.593  2.1859  112.347   16.435    121.557   24.215    104.481   22.379    29.686  3.0908  27.499  3.0919  2.186871       4.371808 
1 1 1 12  -23 25 o 10.154  2.7816  4.3705    11.954    20.540    17.266    -10.5170  16.567    12.544  4.2820  7.7638  3.5517  4.780032       5.563251 
1 1 1 12  -23 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -23 27 f 57.252  2.9199  450.374   44.628    0.0000    0.0000    450.374   44.628    ?       ?       57.252  2.9199  ?              ?        
1 1 1 12  -23 28 o 53.442  2.0789  394.310   29.582    374.105   42.364    413.537   41.326    52.041  3.0526  54.843  2.8228  -2.801689      4.157709 
1 1 1 12  -23 29 o 14.067  3.2063  27.331    14.089    36.737    20.212    18.439    19.651    15.802  4.5370  12.331  4.5318  3.470717       6.412651 
1 1 1 12  -23 30 o 13.713  2.5769  19.652    13.282    56.295    18.720    -17.4926  18.848    19.731  3.6776  7.6950  3.6108  12.03573       5.153877 
1 1 1 12  -23 31 o 34.741  2.3502  171.057   21.517    161.590   31.131    179.715   29.772    33.714  3.4984  35.768  3.1394  -2.053436      4.700440 
1 1 1 12  -23 32 o 14.196  3.3469  28.792    15.179    20.779    21.071    37.438    21.886    12.695  4.6883  15.696  4.7778  -3.000480      6.693816 
1 1 1 12  -23 33 o 17.631  2.9477  47.610    16.873    2.3520    24.521    88.306    23.252    10.693  4.6346  24.569  3.6438  -13.87629      5.895464 
1 1 1 12  -23 34 o 9.5506  2.9960  -4.7237   15.561    6.5091    22.593    -14.8623  21.464    10.712  4.5412  8.3890  3.9091  2.323358       5.991974 
1 1 1 12  -23 35 f 34.834  2.6826  182.304   24.447    165.031   35.039    198.688   34.125    32.953  4.0553  36.715  3.5130  -3.761784      5.365281 
1 1 1 12  -23 36 o 8.3693  2.7297  -11.7068  14.657    -1.0543   19.542    -25.4059  22.161    9.0756  4.0282  7.6630  3.6847  1.412598       5.459309 
1 1 1 12  -23 37 o 16.442  3.7476  48.906    19.343    36.761    28.235    59.647    26.553    14.561  5.4172  18.322  5.1801  -3.760600      7.495265 
1 1 1 12  -23 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -23 39 o 44.099  2.7847  313.791   32.410    344.770   46.383    284.233   45.306    46.576  3.7498  41.621  4.1181  4.954929       5.569486 
1 1 1 12  -23 40 o 13.129  3.7168  31.346    19.935    25.424    27.857    37.561    28.539    12.389  5.1320  13.870  5.3777  -1.481462      7.433542 
1 1 1 12  -23 41 o 9.6072  3.0616  -14.1877  18.587    -51.1257  25.537    27.425    27.105    6.8005  3.3977  12.414  5.0941  -5.613390      6.123212 
1 1 1 12  -23 42 o 22.458  4.2006  114.152   26.218    93.806    36.960    134.761   37.198    19.499  6.2503  25.416  5.6139  -5.917484      8.401297 
1 1 1 12  -23 43 o 14.939  4.2741  65.312    26.602    65.669    35.068    64.828    40.828    15.343  5.9578  14.535  6.1300  0.8081484      8.548187 
1 1 1 12  -23 44 o 12.270  3.4455  32.942    15.246    46.987    32.126    28.859    17.321    12.754  5.4114  11.786  4.2664  0.9676695      6.890939 
1 1 1 12  -22 0  o 52.927  1.9328  378.055   27.300    371.796   38.855    384.157   38.365    52.488  2.7736  53.367  2.6926  -0.8793526     3.865614 
1 1 1 12  -22 1  o 127.101 2.8064  2184.06   95.536    2188.51   135.724   2179.69   134.502   127.225 3.9829  126.977 3.9547  0.2481003      5.612750 
1 1 1 12  -22 2  o 151.474 3.1769  3110.72   128.779   2974.86   182.659   3245.00   181.589   148.140 4.6034  154.808 4.3793  -6.668549      6.353728 
1 1 1 12  -22 3  o 86.822  2.2111  1015.14   51.411    1002.40   73.069    1027.63   72.347    86.277  3.1619  87.367  3.0916  -1.089836      4.422208 
1 1 1 12  -22 4  o 90.125  2.2716  1093.72   54.834    1104.95   77.984    1082.74   77.116    90.583  3.2142  89.668  3.2109  0.9144897      4.543181 
1 1 1 12  -22 5  o 82.103  2.1738  907.184   47.804    913.838   67.976    900.674   67.239    82.401  3.0799  81.806  3.0687  0.5941544      4.347693 
1 1 1 12  -22 6  o 58.987  1.9426  467.802   30.692    468.133   43.539    467.476   43.272    59.007  2.7548  58.967  2.7397  0.4015350E-01  3.885205 
1 1 1 12  -22 7  o 104.365 2.4298  1467.64   67.918    1455.07   96.275    1480.10   95.828    103.916 3.4589  104.814 3.4134  -0.8980789     4.859541 
1 1 1 12  -22 8  o 195.356 3.9844  5194.58   208.488   5199.58   295.343   5189.60   294.352   195.446 5.6417  195.266 5.6280  0.1799011      7.968868 
1 1 1 12  -22 9  o 75.603  2.1297  768.999   43.107    737.110   60.544    801.783   61.388    74.009  3.0542  77.198  2.9689  -3.188782      4.259388 
1 1 1 12  -22 10 o 109.797 2.5306  1625.47   74.421    1615.09   105.008   1635.94   105.487   109.444 3.5821  110.150 3.5754  -0.7058411     5.061134 
1 1 1 12  -22 11 o 140.005 2.9751  2650.49   111.564   2629.11   157.518   2672.01   158.034   139.436 4.2176  140.575 4.1971  -1.139511      5.950157 
1 1 1 12  -22 12 o 148.588 3.1051  2989.88   123.545   3061.89   174.436   2917.40   175.005   150.406 4.3299  146.771 4.4517  3.635590       6.210114 
1 1 1 12  -22 13 o 101.173 2.3535  1379.99   63.769    1389.86   89.705    1369.92   90.669    101.545 3.2982  100.802 3.3582  0.7428970      4.706922 
1 1 1 12  -22 14 o 130.190 2.8061  2292.79   97.832    2332.91   137.908   2252.15   138.808   131.352 3.9198  129.028 4.0164  2.324265       5.612189 
1 1 1 12  -22 15 o 82.882  2.1478  925.511   47.676    910.987   66.990    940.417   67.867    82.222  3.0418  83.541  3.0330  -1.319038      4.295501 
1 1 1 12  -22 16 f 45.490  1.8878  279.526   22.894    287.868   32.450    271.260   32.304    46.173  2.6348  44.807  2.7043  1.366138       3.775627 
1 1 1 12  -22 17 o 117.312 2.6060  1862.96   81.863    1813.11   115.830   1912.71   115.713   115.727 3.7368  118.898 3.6334  -3.171127      5.212039 
1 1 1 12  -22 18 o 41.586  1.9127  234.542   21.132    217.783   30.099    250.833   29.676    40.093  2.8208  43.079  2.5838  -2.986160      3.825310 
1 1 1 12  -22 19 o 64.443  1.9522  560.128   33.693    562.658   48.076    557.686   47.232    64.583  2.7792  64.303  2.7423  0.2798920      3.904412 
1 1 1 12  -22 20 o 67.295  1.9900  611.318   35.862    621.859   51.373    601.300   50.085    67.858  2.8265  66.732  2.8021  1.126328       3.980060 
1 1 1 12  -22 21 o 78.662  2.1162  837.236   44.581    851.481   63.651    823.519   62.460    79.317  2.9960  78.006  2.9894  1.311447       4.232328 
1 1 1 12  -22 22 o 25.557  2.2059  91.025    14.550    78.263    21.251    102.286   19.962    23.753  3.4405  27.362  2.7616  -3.609529      4.411706 
1 1 1 12  -22 23 o 24.159  2.2907  80.488    14.407    84.102    21.367    77.475    19.509    24.643  3.3218  23.675  3.1551  0.9684677      4.581347 
1 1 1 12  -22 24 o 15.211  2.8632  33.409    12.475    19.032    18.361    45.736    17.002    12.458  4.4059  17.965  3.6577  -5.507075      5.726336 
1 1 1 12  -22 25 o 34.159  2.0684  160.828   18.623    149.303   27.185    171.018   25.563    32.939  3.1185  35.380  2.7183  -2.441776      4.136895 
1 1 1 12  -22 26 o 41.883  2.0303  240.786   22.570    231.627   32.791    249.031   31.113    41.079  3.0010  42.688  2.7355  -1.608971      4.060684 
1 1 1 12  -22 27 o 15.340  4.6264  33.652    20.590    33.652    20.590    0.0000    0.0000    15.340  4.6264  ?       ?       ?              ?        
1 1 1 12  -22 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -22 29 o 45.071  2.0992  280.946   25.137    268.218   36.256    292.727   34.882    44.024  3.0943  46.117  2.8377  -2.092396      4.198454 
1 1 1 12  -22 30 o 25.062  2.6203  89.433    17.039    95.577    24.615    83.782    23.609    25.925  3.6456  24.199  3.7649  1.726023       5.240625 
1 1 1 12  -22 31 o 21.608  3.0154  68.484    16.808    91.210    24.671    48.803    22.960    25.197  3.7715  18.019  4.7059  7.178148       6.030762 
1 1 1 12  -22 32 o 10.776  3.0679  9.7243    13.597    9.6068    19.167    9.8433    19.292    10.747  4.3300  10.804  4.3474  -0.5762768E-01 6.135859 
1 1 1 12  -22 33 o 19.216  3.2804  57.596    17.393    79.295    24.359    35.025    24.844    23.128  4.0813  15.304  5.1368  7.823776       6.560791 
1 1 1 12  -22 34 f 41.145  2.4450  243.651   26.689    250.436   38.168    237.159   37.333    41.717  3.4467  40.573  3.4687  1.144745       4.889953 
1 1 1 12  -22 35 o 15.616  3.4696  36.078    17.030    57.569    25.731    19.323    22.719    18.841  5.0114  12.391  4.7998  6.450497       6.939198 
1 1 1 12  -22 36 o 15.728  3.6525  40.183    17.994    50.832    26.455    31.016    24.546    17.349  5.2466  14.108  5.0830  3.240331       7.305052 
1 1 1 12  -22 37 o 33.456  2.8204  173.333   24.269    209.407   34.869    139.440   33.798    37.339  3.5283  29.572  4.4011  7.767191       5.640790 
1 1 1 12  -22 38 o 24.208  3.6022  102.191   22.585    104.547   31.064    99.549    32.893    24.784  4.8531  23.631  5.3244  1.152828       7.204301 
1 1 1 12  -22 39 o 12.674  5.2160  24.734    28.520    0.0000    0.0000    24.734    28.520    ?       ?       12.674  5.2160  ?              ?        
1 1 1 12  -22 40 o 32.673  3.3692  188.841   27.254    138.779   39.045    236.407   38.060    26.885  5.6038  38.460  3.7420  -11.57492      6.738305 
1 1 1 12  -22 41 o 11.964  3.5242  20.167    19.757    36.771    27.413    2.2209    28.500    13.727  5.2850  10.201  4.6635  3.526219       7.048388 
1 1 1 12  -22 42 o 8.4276  2.7098  -1.2481   13.392    -21.6831  25.700    6.3683    15.690    8.1001  3.9127  8.7551  3.7499  -0.6550026     5.419515 
1 1 1 12  -22 43 o 20.062  3.5055  66.682    17.773    130.429   34.320    43.321    20.776    25.407  5.2179  14.717  4.6828  10.68920       7.011066 
1 1 1 12  -22 44 f 14.510  3.5966  51.027    17.666    46.472    33.297    52.812    20.842    13.039  5.5195  15.981  4.6126  -2.941369      7.193119 
1 1 1 12  -21 0  o 83.929  2.1971  947.650   49.389    954.212   70.211    941.222   69.488    84.216  3.1126  83.642  3.1017  0.5738220      4.394144 
1 1 1 12  -21 1  f 73.302  2.0853  723.016   40.907    693.772   58.151    751.665   57.556    71.827  3.0226  74.778  2.8736  -2.951569      4.170566 
1 1 1 12  -21 2  o 133.582 2.8969  2407.60   103.622   2361.24   147.144   2453.21   145.952   132.292 4.1526  134.871 4.0402  -2.578247      5.793719 
1 1 1 12  -21 3  o 68.405  1.9952  629.093   36.533    607.961   51.920    649.817   51.415    67.261  2.8819  69.548  2.7601  -2.286636      3.990424 
1 1 1 12  -21 4  f 118.619 2.6434  1894.90   83.980    1896.03   119.375   1893.80   118.167   118.650 3.7562  118.587 3.7202  0.6354523E-01  5.286736 
1 1 1 12  -21 5  o 74.234  2.0551  740.858   40.839    717.113   58.019    764.177   57.495    73.049  2.9653  75.419  2.8462  -2.369240      4.110174 
1 1 1 12  -21 6  o 29.235  2.1602  117.924   16.116    150.533   22.960    86.250    22.628    33.383  2.5879  25.086  3.4596  8.296885       4.320459 
1 1 1 12  -21 7  o 88.214  2.2228  1046.20   52.519    1037.12   74.367    1055.23   74.180    87.831  3.1611  88.598  3.1259  -0.7669449     4.445663 
1 1 1 12  -21 8  o 64.690  1.9817  562.093   34.334    556.604   48.215    567.740   48.904    64.370  2.7965  65.010  2.8085  -0.6398468     3.963355 
1 1 1 12  -21 9  o 63.440  1.9737  540.407   33.529    525.490   46.870    556.042   47.985    62.543  2.7978  64.337  2.7846  -1.793346      3.947365 
1 1 1 12  -21 10 o 73.896  2.0930  733.744   41.420    725.150   57.965    742.711   59.209    73.455  2.9461  74.337  2.9737  -0.8816681     4.186007 
1 1 1 12  -21 11 f 113.456 2.5166  1733.21   76.472    1748.65   107.774   1717.56   108.525   113.970 3.5305  112.942 3.5874  1.027275       5.033284 
1 1 1 12  -21 12 o 54.645  1.8933  400.966   27.703    392.989   38.624    409.419   39.758    54.086  2.6661  55.204  2.6888  -1.117565      3.786553 
1 1 1 12  -21 13 o 30.503  2.1118  126.850   16.891    109.551   23.847    144.265   23.927    28.357  3.1954  32.648  2.7621  -4.290916      4.223691 
1 1 1 12  -21 14 o 33.120  2.0343  148.563   17.855    141.531   25.036    155.842   25.471    32.310  2.9246  33.930  2.8285  -1.619507      4.068639 
1 1 1 12  -21 15 o 111.733 2.5157  1683.49   75.264    1731.13   106.334   1635.66   106.545   113.329 3.5030  110.137 3.6117  3.191643       5.031440 
1 1 1 12  -21 16 o 81.948  2.0985  904.008   46.046    876.051   65.042    932.098   65.197    80.672  3.0101  83.224  2.9248  -2.552490      4.197033 
1 1 1 12  -21 17 o 30.991  2.0608  130.529   16.890    125.551   24.021    135.395   23.753    30.390  2.9896  31.592  2.8373  -1.201721      4.121643 
1 1 1 12  -21 18 o 15.972  2.9436  36.049    12.934    27.068    18.668    44.339    17.936    14.177  4.4296  17.767  3.8779  -3.589653      5.887196 
1 1 1 12  -21 19 o 107.675 2.4692  1566.69   71.203    1602.59   101.313   1531.66   100.090   108.899 3.4734  106.451 3.5103  2.447647       4.938303 
1 1 1 12  -21 20 o 22.398  2.4791  69.726    14.324    65.197    20.774    73.831    19.777    21.644  3.7174  23.152  3.2810  -1.508211      4.958272 
1 1 1 12  -21 21 o 66.073  1.9806  588.907   35.035    592.482   50.404    585.565   48.733    66.261  2.8400  65.886  2.7615  0.3743057      3.961242 
1 1 1 12  -21 22 o 26.037  2.2035  93.510    14.931    88.198    22.139    97.942    20.222    25.298  3.3496  26.776  2.8640  -1.478521      4.407075 
1 1 1 12  -21 23 o 26.389  2.3386  95.901    15.356    136.371   22.857    62.611    20.731    31.652  2.7225  21.127  3.8033  10.52471       4.677280 
1 1 1 12  -21 24 o 40.262  1.9805  221.839   21.082    205.017   30.812    236.646   28.908    38.768  2.9904  41.756  2.5976  -2.988594      3.961049 
1 1 1 12  -21 25 o 13.041  2.9171  23.034    11.716    15.551    17.220    29.484    15.987    11.654  4.2485  14.427  3.9986  -2.773462      5.834266 
1 1 1 12  -21 26 o 69.851  2.1046  664.393   39.368    666.103   56.265    662.753   55.102    69.928  3.0040  69.774  2.9484  0.1545105      4.209155 
1 1 1 12  -21 27 o 35.620  2.0906  174.009   19.750    180.554   28.633    168.068   27.279    36.257  2.9746  34.983  2.9385  1.273819       4.181242 
1 1 1 12  -21 28 o 37.215  2.4920  191.186   24.093    185.175   31.054    200.277   38.187    36.600  3.1999  37.830  3.8211  -1.230270      4.983983 
1 1 1 12  -21 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -21 30 f 69.187  2.2222  660.372   41.166    653.019   58.808    667.437   57.645    68.777  3.1923  69.597  3.0923  -0.8192368     4.444460 
1 1 1 12  -21 31 o 41.721  2.2940  243.806   25.295    222.389   36.368    263.873   35.205    39.826  3.4432  43.617  3.0322  -3.791424      4.588057 
1 1 1 12  -21 32 o 10.182  2.8161  1.6475    13.045    23.168    18.332    -20.4302  18.567    12.981  4.4122  7.3838  3.5007  5.596961       5.632288 
1 1 1 12  -21 33 o 11.434  3.1502  13.693    13.897    13.344    19.372    14.063    19.948    11.333  4.4205  11.535  4.4895  -0.2023335     6.300475 
1 1 1 12  -21 34 o 12.220  3.2823  17.748    14.988    23.153    21.035    12.172    21.362    13.045  4.7047  11.394  4.5782  1.651487       6.564595 
1 1 1 12  -21 35 o 19.312  3.5054  59.574    18.249    55.586    26.591    63.124    25.090    18.580  5.1595  20.045  4.7465  -1.465561      7.010707 
1 1 1 12  -21 36 o 30.576  2.8740  141.438   22.945    140.898   32.838    141.952   32.073    30.462  4.1312  30.689  3.9966  -0.2274876     5.748017 
1 1 1 12  -21 37 f 23.789  3.4273  93.089    21.145    119.146   30.366    68.563    29.462    27.644  4.2361  19.935  5.3889  7.709341       6.854585 
1 1 1 12  -21 38 o 11.168  3.3140  11.692    16.942    4.7214    24.126    18.474    23.796    10.390  4.5486  11.947  4.8208  -1.556725      6.627914 
1 1 1 12  -21 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -21 40 o 13.201  3.5524  29.107    18.446    12.811    26.859    43.653    25.376    11.193  4.8509  15.210  5.1911  -4.017233      7.104816 
1 1 1 12  -21 41 o 13.209  3.4455  29.314    14.547    37.922    29.527    26.555    16.717    13.949  5.4528  12.470  4.2135  1.478190       6.891077 
1 1 1 12  -21 42 o 13.195  3.4388  23.958    15.363    58.961    28.848    10.100    18.152    16.714  5.5335  9.6764  4.0845  7.037265       6.877676 
1 1 1 12  -21 43 o 10.176  3.1128  12.697    14.298    9.1342    29.523    13.789    16.342    10.507  4.7812  9.8452  3.9872  0.6616497      6.225574 
1 1 1 12  -21 44 o 12.541  3.1943  33.999    16.330    1.5764    31.661    45.751    19.061    9.7939  4.6217  15.288  4.4107  -5.494226      6.388589 
1 1 1 12  -20 0  o 160.406 3.2985  3472.43   141.715   3491.61   201.134   3453.51   199.705   160.845 4.6686  159.967 4.6609  0.8779144      6.596975 
1 1 1 12  -20 1  f 75.367  2.0754  762.870   41.893    767.274   59.682    758.592   58.819    75.580  2.9482  75.153  2.9220  0.4268494      4.150866 
1 1 1 12  -20 2  o 8.0391  2.3840  0.8899    8.7299    -2.2354   12.511    3.8557    12.187    7.5936  3.3008  8.4846  3.4408  -0.8909492     4.768070 
1 1 1 12  -20 3  o 123.901 2.7323  2067.73   90.572    1964.13   128.537   2169.88   127.643   120.799 3.9726  127.003 3.7523  -6.203873      5.464542 
1 1 1 12  -20 4  o 147.993 3.0757  2950.55   121.916   2965.86   173.139   2935.49   171.702   148.372 4.3566  147.613 4.3427  0.7586975      6.151371 
1 1 1 12  -20 5  o 58.368  1.8945  457.302   29.614    465.880   41.907    448.745   41.855    58.916  2.6556  57.820  2.7026  1.095818       3.788983 
1 1 1 12  -20 6  o 52.436  1.8876  369.639   26.438    351.084   37.238    388.497   37.541    51.069  2.7322  53.803  2.6051  -2.734020      3.775110 
1 1 1 12  -20 7  o 47.421  1.9023  302.686   24.045    286.941   33.655    319.104   34.366    46.153  2.7346  48.688  2.6451  -2.534916      3.804572 
1 1 1 12  -20 8  o 108.649 2.5014  1587.31   72.783    1554.35   102.831   1620.40   103.030   107.515 3.5708  109.783 3.5038  -2.268639      5.002712 
1 1 1 12  -20 9  o 161.916 3.3279  3536.52   144.303   3457.12   203.922   3616.16   204.227   160.083 4.7559  163.749 4.6564  -3.665497      6.655823 
1 1 1 12  -20 10 o 77.007  2.0979  796.652   43.187    732.842   60.541    862.766   61.624    73.859  3.0603  80.154  2.8704  -6.295090      4.195728 
1 1 1 12  -20 11 o 57.945  1.9118  450.440   29.660    433.230   41.341    468.694   42.577    56.805  2.7171  59.085  2.6903  -2.280743      3.823686 
1 1 1 12  -20 12 o 128.421 2.7348  2220.73   94.056    2256.59   132.651   2184.47   133.382   129.472 3.8251  127.371 3.9096  2.100357       5.469628 
1 1 1 12  -20 13 o 59.802  1.8847  480.374   30.179    488.685   42.376    471.822   42.989    60.330  2.6224  59.275  2.7077  1.055027       3.769393 
1 1 1 12  -20 14 o 39.669  1.9193  212.928   20.142    185.372   28.318    241.145   28.656    37.034  2.8774  42.305  2.5407  -5.270935      3.838541 
1 1 1 12  -20 15 o 117.659 2.6007  1864.63   81.941    1814.76   115.709   1914.80   116.056   116.073 3.7218  119.245 3.6336  -3.172218      5.201411 
1 1 1 12  -20 16 o 34.363  2.0056  160.129   18.249    149.691   26.033    170.214   25.588    33.237  2.9551  35.489  2.7123  -2.251835      4.011141 
1 1 1 12  -20 17 o 78.328  2.0692  825.045   43.407    844.104   61.726    806.400   61.053    79.225  2.9088  77.432  2.9437  1.793503       4.138448 
1 1 1 12  -20 18 o 22.797  2.4772  71.689    14.634    70.794    20.974    72.538    20.427    22.642  3.5773  22.952  3.4277  -0.3102131     4.954421 
1 1 1 12  -20 19 o 112.178 2.5335  1698.27   76.119    1719.62   108.338   1677.46   106.972   112.874 3.5834  111.482 3.5824  1.392059       5.067022 
1 1 1 12  -20 20 o 24.850  2.4020  84.254    15.510    92.277    23.183    77.754    20.867    25.927  3.4220  23.773  3.3717  2.154247       4.803987 
1 1 1 12  -20 21 o 33.746  2.0253  154.345   18.069    157.065   26.790    152.075   24.475    34.003  2.9713  33.489  2.7530  0.5146103      4.050570 
1 1 1 12  -20 22 o 59.838  1.9693  483.131   31.518    476.082   45.604    489.577   43.610    59.408  2.8660  60.268  2.7016  -0.8602753     3.938546 
1 1 1 12  -20 23 o 32.759  2.0655  146.330   17.870    142.859   26.183    149.357   24.451    32.367  3.0562  33.151  2.7793  -0.7840157     4.131007 
1 1 1 12  -20 24 o 50.686  1.9664  348.840   26.537    336.168   38.337    360.497   36.770    49.775  2.8880  51.598  2.6697  -1.823174      3.932900 
1 1 1 12  -20 25 o 58.383  2.0252  463.150   31.547    439.862   45.216    485.239   44.036    56.886  2.9779  59.881  2.7455  -2.995228      4.050407 
1 1 1 12  -20 26 o 14.581  2.9968  29.819    12.792    19.988    18.477    38.871    17.729    12.662  4.4244  16.499  4.0433  -3.836793      5.993629 
1 1 1 12  -20 27 o 33.303  2.3420  158.453   19.619    112.486   28.558    199.533   26.997    28.347  3.8617  38.258  2.6509  -9.910950      4.684062 
1 1 1 12  -20 28 o 25.291  2.6068  89.697    16.724    116.805   24.580    66.329    22.821    29.043  3.2135  21.539  4.1056  7.504526       5.213683 
1 1 1 12  -20 29 o 34.655  3.3492  166.694   30.701    166.694   30.701    0.0000    0.0000    34.655  3.3492  ?       ?       ?              ?        
1 1 1 12  -20 30 o 37.330  5.5461  205.619   53.768    0.0000    0.0000    205.619   53.768    ?       ?       37.330  5.5461  ?              ?        
1 1 1 12  -20 31 o 6.6963  2.2473  -20.0999  11.040    -29.3025  15.486    -10.5877  15.744    5.9166  2.8979  7.4760  3.4355  -1.559439      4.494519 
1 1 1 12  -20 32 o 12.510  3.2707  18.696    14.637    13.947    21.000    23.183    20.413    11.796  4.6021  13.224  4.6488  -1.427508      6.541481 
1 1 1 12  -20 33 o 24.396  3.0499  88.188    19.096    77.701    27.487    97.971    26.550    22.777  4.6626  26.015  3.9330  -3.238302      6.099820 
1 1 1 12  -20 34 o 14.391  3.4566  29.879    15.936    27.322    22.423    32.488    22.653    13.938  4.8739  14.844  4.9029  -0.9064970     6.913279 
1 1 1 12  -20 35 o 40.515  2.4424  235.454   26.235    238.632   37.865    232.520   36.384    40.740  3.5041  40.289  3.4034  0.4506683      4.884852 
1 1 1 12  -20 36 o 20.378  3.3265  66.095    18.775    99.018    27.047    35.478    26.082    25.632  4.0759  15.123  5.2583  10.50869       6.653039 
1 1 1 12  -20 37 o 28.643  3.1814  127.946   23.255    157.651   33.928    101.625   31.937    32.223  4.0183  25.062  4.9334  7.161676       6.362750 
1 1 1 12  -20 38 o 11.745  3.4643  14.041    18.241    19.088    25.556    8.7992    26.044    12.308  4.9856  11.182  4.8115  1.125686       6.928685 
1 1 1 12  -20 39 o 18.837  5.5968  66.261    30.301    66.261    30.301    0.0000    0.0000    18.837  5.5968  ?       ?       ?              ?        
1 1 1 12  -20 40 o 9.0601  2.8489  1.3399    13.694    -23.6702  28.315    8.9761    15.646    8.7217  4.1863  9.3984  3.8650  -0.6766768     5.697710 
1 1 1 12  -20 41 o 15.492  3.3507  44.894    15.146    37.598    27.808    47.972    18.060    14.070  5.3454  16.914  4.0416  -2.844186      6.701310 
1 1 1 12  -20 42 o 16.804  3.5941  53.191    16.467    58.440    32.476    51.375    19.105    16.338  5.8508  17.271  4.1759  -0.9330597     7.188201 
1 1 1 12  -20 43 o 7.7233  2.5449  -8.3668   13.175    -38.7839  25.771    2.3949    15.329    7.2812  3.5993  8.1655  3.5987  -0.8843694     5.089740 
1 1 1 12  -20 44 o 20.631  3.7170  79.686    19.359    123.254   35.730    61.581    23.033    23.670  5.7030  17.591  4.7688  6.078932       7.434093 
1 1 1 12  -20 45 o 15.169  3.7810  54.590    17.985    71.823    33.526    47.626    21.312    15.619  5.8847  14.720  4.7491  0.8984432      7.561967 
1 1 1 12  -19 0  o 141.403 2.9966  2691.23   113.485   2739.10   161.224   2644.23   159.770   142.652 4.2195  140.154 4.2560  2.498215       5.993158 
1 1 1 12  -19 1  o 110.475 2.5124  1640.08   74.339    1657.99   105.735   1622.58   104.537   111.072 3.5541  109.879 3.5519  1.192039       5.024715 
1 1 1 12  -19 2  o 114.263 3.1808  1801.52   91.319    1627.47   155.253   1893.59   112.917   109.821 5.2780  118.705 3.5514  -8.883850      6.361563 
1 1 1 12  -19 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -19 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -19 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -19 6  o 141.890 3.7449  2765.83   133.089   2863.00   163.341   2573.91   229.563   145.866 4.1807  137.914 6.2145  7.952713       7.489885 
1 1 1 12  -19 7  o 145.429 3.0506  2847.44   118.794   2766.53   167.986   2928.36   168.015   143.352 4.3750  147.506 4.2525  -4.154373      6.101225 
1 1 1 12  -19 8  o 123.989 2.7025  2067.36   89.731    2010.26   126.628   2124.96   127.171   122.263 3.8667  125.715 3.7767  -3.451622      5.405092 
1 1 1 12  -19 9  o 60.917  1.9307  498.381   31.472    507.714   43.811    488.430   45.239    61.510  2.6592  60.324  2.7998  1.185947       3.861387 
1 1 1 12  -19 10 o 95.336  2.2722  1221.07   58.011    1235.33   81.533    1206.46   82.557    95.903  3.1740  94.768  3.2524  1.134041       4.544492 
1 1 1 12  -19 11 o 157.761 3.9364  3404.72   156.044   3486.74   191.510   3242.68   269.165   160.883 4.4442  154.638 6.4985  6.244873       7.872799 
1 1 1 12  -19 12 f 138.684 5.8596  2602.90   217.664   2602.90   217.664   0.0000    0.0000    138.684 5.8596  ?       ?       ?              ?        
1 1 1 12  -19 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -19 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -19 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -19 16 o 43.272  1.8579  252.582   21.407    245.705   30.729    259.067   29.840    42.690  2.7013  43.855  2.5514  -1.165134      3.715745 
1 1 1 12  -19 17 o 33.126  1.9897  148.851   17.434    141.932   25.224    155.180   24.124    32.366  2.9418  33.886  2.6798  -1.519852      3.979397 
1 1 1 12  -19 18 o 82.033  2.1262  905.072   46.703    895.286   66.699    914.484   65.414    81.593  3.0520  82.473  2.9612  -0.8801804     4.252446 
1 1 1 12  -19 19 o 162.913 3.3146  3593.08   144.599   3701.35   205.438   3486.79   203.562   165.363 4.6382  160.462 4.7362  4.900787       6.629126 
1 1 1 12  -19 20 o 73.071  2.0736  718.852   40.548    710.512   58.388    726.622   56.354    72.653  3.0004  73.489  2.8629  -0.8356552     4.147134 
1 1 1 12  -19 21 o 21.028  2.7467  65.448    14.508    38.511    21.392    88.392    19.743    16.605  4.6337  25.452  2.9507  -8.847393      5.493487 
1 1 1 12  -19 22 o 89.053  2.2906  1070.62   54.611    1056.53   78.137    1084.07   76.358    88.468  3.2975  89.639  3.1803  -1.170280      4.581240 
1 1 1 12  -19 23 o 105.518 2.5302  1507.95   71.478    1470.98   101.713   1544.02   100.470   104.219 3.6437  106.817 3.5116  -2.598366      5.060413 
1 1 1 12  -19 24 o 26.488  2.3391  96.125    16.199    104.633   23.580    88.521    22.291    27.623  3.2491  25.353  3.3658  2.270020       4.678113 
1 1 1 12  -19 25 o 42.545  2.0139  245.682   22.789    247.482   33.105    244.061   31.419    42.680  2.9133  42.410  2.7813  0.2703972      4.027789 
1 1 1 12  -19 26 o 24.608  2.3914  83.367    15.277    94.361    22.490    73.948    20.817    26.154  3.2828  23.062  3.4782  3.092426       4.782792 
1 1 1 12  -19 27 o 9.3013  2.6633  0.7401    10.984    -10.1814  14.721    14.459    16.499    7.2701  3.3339  11.333  4.1543  -4.062460      5.326672 
1 1 1 12  -19 28 o 42.830  2.1165  250.546   24.103    265.220   34.986    237.290   33.253    44.030  2.9842  41.631  3.0022  2.398613       4.233097 
1 1 1 12  -19 29 o 29.262  2.4672  122.506   18.257    93.140    26.641    148.508   25.068    25.643  4.0100  32.880  2.8754  -7.236610      4.934382 
1 1 1 12  -19 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -19 31 o 15.704  3.3224  35.374    15.152    42.125    22.047    29.331    20.859    16.937  4.6961  14.471  4.7011  2.465937       6.644847 
1 1 1 12  -19 32 o 56.587  2.2272  443.619   33.610    460.896   47.883    426.839   47.188    57.699  3.1098  55.474  3.1892  2.225311       4.454395 
1 1 1 12  -19 33 o 10.784  2.7625  -1.3147   13.275    -30.5960  18.072    33.001    19.563    6.5655  3.1972  15.003  4.5061  -8.437956      5.525091 
1 1 1 12  -19 34 o 43.420  2.3393  265.237   26.985    276.072   38.953    255.238   37.418    44.275  3.3086  42.564  3.3081  1.711292       4.678697 
1 1 1 12  -19 35 o 14.632  3.4435  31.381    16.004    24.435    22.635    38.324    22.631    13.425  4.8744  15.839  4.8654  -2.413611      6.887084 
1 1 1 12  -19 36 o 36.896  2.6247  198.890   25.539    189.871   36.468    207.569   35.775    35.958  3.8461  37.833  3.5727  -1.874329      5.249437 
1 1 1 12  -19 37 o 61.328  2.8598  559.274   45.704    544.221   58.715    582.418   72.805    60.932  3.6137  61.723  4.4333  -0.7909012     5.719513 
1 1 1 12  -19 38 o 17.838  3.3504  47.397    15.267    68.696    28.121    38.495    18.180    20.139  5.1827  15.536  4.2472  4.603142       6.700708 
1 1 1 12  -19 39 o 14.867  2.7153  38.704    14.915    -15.4880  26.072    65.066    18.184    9.0231  4.2381  20.712  3.3956  -11.68836      5.430620 
1 1 1 12  -19 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -19 41 o 9.9358  3.0642  5.9766    13.263    14.704    27.287    3.2770    15.176    11.424  4.9201  8.4481  3.6538  2.975505       6.128442 
1 1 1 12  -19 42 o 13.457  3.2694  19.250    14.471    65.999    27.827    1.9201    16.943    18.361  5.3385  8.5526  3.7756  9.808396       6.538745 
1 1 1 12  -19 43 o 31.658  2.9388  164.605   23.110    190.683   39.965    151.504   28.327    32.544  4.7226  30.772  3.4989  1.772078       5.877562 
1 1 1 12  -19 44 o 13.527  3.6326  33.249    16.372    57.952    32.036    24.515    19.048    15.436  5.7648  11.619  4.4217  3.816530       7.265284 
1 1 1 12  -19 45 f 17.843  3.8815  76.608    20.087    81.640    37.301    74.552    23.838    16.421  6.2024  19.266  4.6685  -2.844954      7.763038 
1 1 1 12  -18 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -18 1  o 153.102 3.8102  3147.51   148.117   3117.76   182.073   3205.73   254.688   152.206 4.4661  153.997 6.1746  -1.791016      7.620435 
1 1 1 12  -18 2  o 81.862  2.1221  899.890   46.507    872.291   66.044    927.038   65.502    80.613  3.0587  83.111  2.9424  -2.498337      4.244243 
1 1 1 12  -18 3  f 63.618  1.9287  543.002   32.865    546.198   46.666    539.857   46.293    63.804  2.7306  63.433  2.7247  0.3711586      3.857478 
1 1 1 12  -18 4  f 105.805 2.4313  1503.58   68.900    1509.08   97.846    1498.18   97.036    105.996 3.4464  105.614 3.4302  0.3821106      4.862532 
1 1 1 12  -18 5  o 121.285 2.6389  1976.97   85.723    1967.17   121.646   1986.64   120.818   120.984 3.7539  121.586 3.7099  -0.6023407     5.277761 
1 1 1 12  -18 6  o 100.750 2.3443  1363.23   63.259    1351.10   89.541    1375.32   89.383    100.301 3.3329  101.199 3.2975  -0.8977737     4.688517 
1 1 1 12  -18 7  o 73.488  2.0138  725.284   39.610    750.016   55.677    699.938   56.364    74.761  2.7804  72.215  2.9140  2.545982       4.027663 
1 1 1 12  -18 8  o 48.595  1.8822  317.440   24.389    308.749   33.730    326.962   35.305    47.899  2.6393  49.292  2.6842  -1.392708      3.764405 
1 1 1 12  -18 9  o 141.747 2.9473  2703.13   111.898   2691.15   157.878   2715.23   158.621   141.432 4.1676  142.063 4.1686  -0.6311035     5.894598 
1 1 1 12  -18 10 f 142.771 2.9513  2742.60   112.859   2735.97   159.129   2749.30   160.088   142.599 4.1662  142.944 4.1812  -0.3445892     5.902566 
1 1 1 12  -18 11 o 124.134 2.6641  2071.55   88.574    2046.27   124.716   2097.28   125.817   123.369 3.7742  124.899 3.7609  -1.529984      5.328162 
1 1 1 12  -18 12 o 120.203 2.6055  1942.43   83.885    1945.13   118.254   1939.69   119.012   120.289 3.6703  120.117 3.6991  0.1717987      5.211004 
1 1 1 12  -18 13 o 81.798  2.0764  898.328   45.488    880.365   64.224    916.410   64.436    80.975  2.9611  82.620  2.9117  -1.644531      4.152893 
1 1 1 12  -18 14 o 59.781  1.8670  479.619   29.893    478.124   42.467    481.087   42.086    59.687  2.6563  59.874  2.6243  -0.1861763     3.734050 
1 1 1 12  -18 15 o 79.418  2.0552  847.282   43.697    824.154   62.092    869.977   61.507    78.340  2.9591  80.496  2.8527  -2.156128      4.110316 
1 1 1 12  -18 16 o 73.624  4.0589  732.059   79.733    732.059   79.733    0.0000    0.0000    73.624  4.0589  ?       ?       ?              ?        
1 1 1 12  -18 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -18 18 o 204.606 4.9326  5669.52   254.589   5832.58   444.124   5589.71   310.706   206.170 8.0425  203.042 5.7131  3.127350       9.865173 
1 1 1 12  -18 19 o 120.626 2.6665  1960.69   86.131    1937.79   122.757   1982.90   120.880   119.923 3.8217  121.330 3.7196  -1.407158      5.332976 
1 1 1 12  -18 20 o 104.757 2.4290  1477.66   68.147    1486.27   97.284    1469.38   95.490    105.052 3.4574  104.461 3.4128  0.5912018      4.858066 
1 1 1 12  -18 21 o 54.251  1.9429  395.373   28.118    432.509   40.768    361.675   38.834    56.719  2.6835  51.782  2.8104  4.937065       3.885809 
1 1 1 12  -18 22 o 19.068  2.8448  51.259    14.046    47.268    20.554    54.756    19.239    18.322  4.2675  19.813  3.7631  -1.490068      5.689662 
1 1 1 12  -18 23 o 57.486  2.0392  446.689   31.258    430.295   45.288    461.605   43.198    56.421  3.0076  58.550  2.7546  -2.128426      4.078389 
1 1 1 12  -18 24 o 12.519  3.0818  18.591    12.701    23.872    18.957    14.290    17.108    13.554  4.4856  11.485  4.2274  2.069137       6.163669 
1 1 1 12  -18 25 o 36.460  2.1273  180.070   20.460    208.794   29.930    154.873   28.032    39.222  2.8689  33.699  3.1418  5.522953       4.254596 
1 1 1 12  -18 26 o 50.244  2.0017  341.639   26.800    362.939   38.895    322.386   36.978    51.740  2.8172  48.749  2.8443  2.990932       4.003373 
1 1 1 12  -18 27 o 44.287  2.0600  267.840   24.212    249.158   34.802    285.365   33.707    42.743  3.0601  45.832  2.7586  -3.088943      4.119953 
1 1 1 12  -18 28 o 66.340  2.1573  598.622   38.317    623.187   54.597    574.780   53.789    67.695  3.0111  64.986  3.0902  2.708542       4.314610 
1 1 1 12  -18 29 o 36.246  2.2038  181.646   21.038    162.323   30.204    199.853   29.319    34.284  3.3312  38.209  2.8861  -3.924465      4.407583 
1 1 1 12  -18 30 o 27.924  2.4919  109.059   18.122    122.059   25.908    96.606    25.357    29.641  3.3202  26.206  3.7167  3.435379       4.983778 
1 1 1 12  -18 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -18 32 f 40.016  2.2899  222.196   24.265    244.504   34.926    201.383   33.736    42.016  3.1259  38.017  3.3472  3.998756       4.579816 
1 1 1 12  -18 33 o 39.168  2.3642  215.030   24.452    192.938   34.491    237.354   34.672    37.040  3.5187  41.297  3.1584  -4.256882      4.728349 
1 1 1 12  -18 34 o 47.527  2.3684  317.222   29.951    311.435   42.444    322.962   42.270    47.067  3.3894  47.986  3.3089  -0.9195747     4.736814 
1 1 1 12  -18 35 o 41.643  2.4017  245.862   26.548    253.388   37.896    238.609   37.201    42.287  3.3739  40.999  3.4189  1.288082       4.803321 
1 1 1 12  -18 36 o 58.213  2.1743  476.308   33.365    488.266   51.772    467.813   43.636    58.567  3.3139  57.859  2.8157  0.7080040      4.348577 
1 1 1 12  -18 37 o 27.870  2.4872  108.543   17.550    134.598   29.819    94.735    21.707    30.166  3.7731  25.575  3.2416  4.591063       4.974342 
1 1 1 12  -18 38 o 33.464  2.3928  158.650   20.472    188.273   34.480    142.521   25.443    35.547  3.6744  31.380  3.0662  4.167225       4.785676 
1 1 1 12  -18 39 o 22.445  3.0555  76.711    17.085    96.458    29.151    66.379    21.086    24.304  4.6475  20.587  3.9679  3.716993       6.110920 
1 1 1 12  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -18 41 o 6.7931  2.3227  -15.9391  10.858    -19.1663  21.752    -14.8680  12.531    7.7818  3.7174  5.8045  2.7858  1.977278       4.645416 
1 1 1 12  -18 42 o 17.182  3.5568  47.973    16.627    82.296    30.461    33.406    19.844    20.649  5.4338  13.715  4.5910  6.933707       7.113625 
1 1 1 12  -18 43 o 10.716  2.8458  13.339    14.614    -39.5444  28.000    33.137    17.132    7.7126  3.8011  13.720  4.2363  -6.006948      5.691677 
1 1 1 12  -18 44 o 12.881  3.1918  3.5998    15.049    79.914    30.267    -21.4641  17.345    19.297  5.5552  6.4653  3.1447  12.83221       6.383567 
1 1 1 12  -18 45 o 13.482  3.6628  38.789    17.145    54.249    33.095    33.117    20.044    14.252  5.7083  12.713  4.5913  1.538970       7.325614 
1 1 1 12  -17 0  o 85.742  2.1815  986.698   50.098    990.651   71.222    982.827   70.484    85.911  3.0951  85.573  3.0752  0.3387146      4.363039 
1 1 1 12  -17 1  o 140.777 2.9515  2665.33   111.273   2623.25   157.949   2706.79   156.785   139.667 4.2221  141.887 4.1255  -2.219742      5.903052 
1 1 1 12  -17 2  o 20.488  2.0723  57.365    11.028    52.887    15.276    62.238    15.935    19.627  3.0011  21.348  2.8585  -1.720945      4.144652 
1 1 1 12  -17 3  o 104.907 2.4135  1477.97   67.814    1472.13   96.341    1483.70   95.471    104.700 3.4354  105.114 3.3910  -0.4141922     4.827048 
1 1 1 12  -17 4  o 86.313  2.1507  999.825   49.720    1013.09   70.643    986.805   69.991    86.881  3.0357  85.746  3.0475  1.135139       4.301452 
1 1 1 12  -17 5  o 71.157  1.9613  679.414   37.375    666.668   52.913    692.104   52.799    70.489  2.8025  71.824  2.7445  -1.334839      3.922572 
1 1 1 12  -17 6  o 39.951  1.7745  215.092   18.876    220.672   26.391    209.247   27.008    40.490  2.4449  39.413  2.5725  1.077087       3.549000 
1 1 1 12  -17 7  o 60.963  1.8937  498.678   30.817    445.606   43.033    554.548   44.153    57.629  2.7879  64.298  2.5637  -6.669064      3.787482 
1 1 1 12  -17 8  o 223.931 4.3608  6779.31   261.515   6924.09   369.811   6634.48   369.865   226.346 6.0998  221.517 6.2337  4.828766       8.721653 
1 1 1 12  -17 9  o 174.658 3.4818  4110.19   162.881   4077.94   229.923   4142.68   230.777   173.968 4.9343  175.348 4.9136  -1.380051      6.963535 
1 1 1 12  -17 10 o 204.342 3.9475  5637.03   216.041   5707.83   305.190   5565.92   305.867   205.640 5.5408  203.044 5.6241  2.596451       7.895028 
1 1 1 12  -17 11 o 121.174 2.5931  1973.27   84.156    1941.98   118.615   2004.99   119.420   120.205 3.6841  122.144 3.6502  -1.938431      5.186163 
1 1 1 12  -17 12 o 127.294 2.7017  2178.59   92.111    2146.12   130.097   2211.23   130.433   126.340 3.8445  128.248 3.7971  -1.908310      5.403495 
1 1 1 12  -17 13 f 41.391  1.8021  230.847   19.869    222.337   28.186    239.252   28.012    40.624  2.6041  42.157  2.4918  -1.532997      3.604187 
1 1 1 12  -17 14 f 73.687  1.9641  728.651   38.724    774.945   55.264    683.998   54.276    75.990  2.7152  71.385  2.8387  4.605049       3.928131 
1 1 1 12  -17 15 o 54.695  1.8311  400.949   26.798    427.357   38.560    376.280   37.269    56.436  2.5509  52.953  2.6276  3.482922       3.662176 
1 1 1 12  -17 16 o 173.462 3.4429  4058.27   159.958   4092.12   227.033   4024.91   225.405   174.181 4.8663  172.743 4.8716  1.437698       6.885749 
1 1 1 12  -17 17 o 222.472 4.3013  6706.00   256.303   6769.98   363.435   6642.69   361.508   223.533 6.0701  221.411 6.0958  2.122131       8.602590 
1 1 1 12  -17 18 o 109.331 4.9868  1614.29   146.035   1614.29   146.035   0.0000    0.0000    109.331 4.9868  ?       ?       ?              ?        
1 1 1 12  -17 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -17 20 o 59.027  1.9647  467.375   31.035    494.720   44.818    442.181   43.018    60.685  2.7573  57.370  2.7995  3.315514       3.929376 
1 1 1 12  -17 21 o 69.135  2.0618  642.837   38.148    636.498   54.945    648.737   53.006    68.800  2.9816  69.470  2.8486  -0.6705627     4.123687 
1 1 1 12  -17 22 o 17.918  2.9601  45.559    13.985    38.717    20.512    51.502    19.117    16.637  4.4961  19.199  3.8514  -2.561630      5.920166 
1 1 1 12  -17 23 o 76.574  2.1732  790.948   44.511    758.614   63.723    821.755   62.200    75.029  3.1709  78.119  2.9727  -3.089371      4.346386 
1 1 1 12  -17 24 o 47.125  2.0559  301.731   25.692    281.312   37.371    320.032   35.379    45.573  3.0796  48.678  2.7244  -3.105095      4.111774 
1 1 1 12  -17 25 o 57.580  2.0713  448.148   31.823    457.254   45.899    439.718   44.161    58.139  2.9572  57.021  2.9010  1.117809       4.142536 
1 1 1 12  -17 26 o 48.249  2.0734  315.976   26.639    306.183   38.157    325.287   37.206    47.499  3.0148  48.998  2.8472  -1.499134      4.146795 
1 1 1 12  -17 27 o 20.742  2.7482  61.863    14.545    47.558    21.216    74.550    19.980    18.270  4.3901  23.213  3.3071  -4.942276      5.496320 
1 1 1 12  -17 28 o 14.792  3.0670  30.458    13.034    36.211    18.802    25.136    18.085    15.951  4.3022  13.633  4.3723  2.317637       6.133998 
1 1 1 12  -17 29 o 30.261  2.3246  127.089   18.412    117.250   26.784    135.906   25.353    29.070  3.5110  31.452  3.0477  -2.382801      4.649243 
1 1 1 12  -17 30 o 7.8987  2.5330  -8.8135   11.593    -8.9890   16.241    -8.6313   16.553    7.8345  3.5578  7.9630  3.6065  -0.1284580     5.066046 
1 1 1 12  -17 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -17 32 o 8.7419  2.6728  -3.7754   11.814    -12.6427  16.071    6.6491    17.425    7.3855  3.4213  10.098  4.1072  -2.712708      5.345545 
1 1 1 12  -17 33 f 19.277  3.3025  55.188    17.173    40.157    24.059    70.803    24.521    16.526  5.0047  22.027  4.3105  -5.501869      6.605099 
1 1 1 12  -17 34 o 49.363  2.0668  329.504   26.861    393.978   42.205    285.609   34.824    53.311  2.9675  45.414  2.8777  7.896919       4.133659 
1 1 1 12  -17 35 o 12.444  3.0251  18.976    11.363    28.682    20.996    14.955    13.513    14.141  4.7224  10.748  3.7820  3.393908       6.050168 
1 1 1 12  -17 36 o 13.354  3.1073  23.417    12.011    34.265    22.171    18.910    14.290    15.075  4.8418  11.633  3.8959  3.441920       6.214562 
1 1 1 12  -17 37 o 18.330  3.1746  47.945    14.596    66.551    26.474    39.820    17.495    20.502  4.8896  16.157  4.0503  4.345304       6.349223 
1 1 1 12  -17 38 f 17.214  3.1243  40.191    14.265    73.361    25.476    25.040    17.218    21.544  4.5571  12.884  4.2754  8.659833       6.248698 
1 1 1 12  -17 39 o 23.609  3.0235  89.434    17.269    82.698    29.678    92.883    21.235    22.152  5.1066  25.065  3.2386  -2.913549      6.046962 
1 1 1 12  -17 40 o 15.322  6.6946  40.033    52.036    40.033    52.036    0.0000    0.0000    15.322  6.6946  ?       ?       ?              ?        
1 1 1 12  -17 41 o 8.9435  2.8252  -0.9758   12.342    8.6675    23.514    -4.6424   14.500    10.515  4.5479  7.3723  3.3532  3.142328       5.650422 
1 1 1 12  -17 42 o 8.0523  2.6525  -11.3889  11.746    7.2750    23.452    -17.6379  13.570    10.228  4.4810  5.8765  2.8397  4.351605       5.305011 
1 1 1 12  -17 43 o 9.4366  2.8715  7.0153    13.259    -17.1809  27.670    14.227    15.107    8.8213  4.2081  10.052  3.9083  -1.230619      5.743078 
1 1 1 12  -17 44 f 23.472  3.6333  104.412   20.752    113.596   37.827    100.458   24.821    22.539  6.1119  24.406  3.9304  -1.867426      7.266575 
1 1 1 12  -17 45 o 7.6845  2.6291  -11.5455  13.163    -10.5578  28.822    -11.8057  14.796    8.9006  4.2593  6.4684  3.0833  2.432230       5.258185 
1 1 1 12  -16 0  o 119.858 2.6292  1929.82   84.402    1924.48   119.956   1935.05   118.777   119.692 3.7417  120.025 3.6947  -0.3328705     5.258388 
1 1 1 12  -16 1  o 64.574  1.8864  559.323   32.623    558.355   46.502    560.262   45.777    64.519  2.6909  64.630  2.6444  -0.1118393     3.772785 
1 1 1 12  -16 2  o 190.785 3.7588  4910.50   191.756   4592.29   271.572   5226.90   270.798   184.574 5.4932  196.996 5.1322  -12.42216      7.517612 
1 1 1 12  -16 3  o 135.991 2.8686  2486.22   104.459   2431.36   148.203   2540.37   147.256   134.493 4.1140  137.489 3.9987  -2.995621      5.737128 
1 1 1 12  -16 4  o 111.128 2.4527  1658.13   73.003    1684.33   103.646   1632.34   102.841   112.001 3.4550  110.256 3.4824  1.744392       4.905468 
1 1 1 12  -16 5  o 90.916  2.1765  1109.27   53.001    1110.99   75.069    1107.56   74.841    90.986  3.0803  90.846  3.0757  0.1404724      4.352999 
1 1 1 12  -16 6  o 189.334 3.7866  4831.61   192.012   4761.83   271.635   4901.29   271.458   187.959 5.3955  190.709 5.3142  -2.750763      7.573174 
1 1 1 12  -16 7  f 128.721 2.7379  2226.50   94.386    2184.89   133.195   2268.47   133.770   127.510 3.8999  129.932 3.8437  -2.422188      5.475741 
1 1 1 12  -16 8  o 87.750  2.1315  1033.19   50.092    1009.70   70.381    1057.31   71.311    86.738  3.0294  88.761  2.9994  -2.022964      4.263080 
1 1 1 12  -16 9  o 216.286 4.1667  6316.84   241.335   6456.92   341.018   6176.30   341.582   218.710 5.8213  213.863 5.9631  4.846909       8.333414 
1 1 1 12  -16 10 o 108.546 2.4143  1582.29   70.191    1579.20   98.809    1585.44   99.728    108.440 3.4019  108.651 3.4268  -0.2117615     4.828678 
1 1 1 12  -16 11 o 58.387  1.7869  457.243   27.945    453.397   39.336    461.163   39.707    58.139  2.5260  58.635  2.5283  -0.4956818     3.573890 
1 1 1 12  -16 12 o 188.481 3.7399  4791.89   188.779   4693.17   266.910   4890.70   267.037   186.525 5.3424  190.437 5.2352  -3.912033      7.479894 
1 1 1 12  -16 13 o 103.456 2.3451  1437.78   64.974    1416.42   92.235    1458.82   91.543    102.690 3.3533  104.223 3.2793  -1.532654      4.690251 
1 1 1 12  -16 14 o 13.260  2.6988  24.245    10.211    19.543    14.946    28.360    13.982    12.265  3.9792  14.256  3.6469  -1.991548      5.397562 
1 1 1 12  -16 15 f 143.441 2.9722  2768.76   114.187   2806.03   162.354   2732.28   160.630   144.397 4.1978  142.485 4.2089  1.912048       5.944412 
1 1 1 12  -16 16 o 37.798  1.9599  196.530   19.288    160.229   28.214    228.380   26.428    34.404  3.0948  41.191  2.4058  -6.786999      3.919894 
1 1 1 12  -16 17 o 159.486 3.2329  3427.38   138.097   3444.92   196.398   3410.24   194.218   159.887 4.5860  159.086 4.5580  0.8008881      6.465794 
1 1 1 12  -16 18 o 78.872  2.1206  836.488   44.740    806.203   64.138    865.192   62.440    77.473  3.0908  80.271  2.9041  -2.798172      4.241122 
1 1 1 12  -16 19 o 77.082  2.1189  798.780   43.707    776.086   62.555    820.426   61.094    76.005  3.0728  78.159  2.9183  -2.153038      4.237734 
1 1 1 12  -16 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -16 21 o 183.649 3.7426  4571.10   183.925   4356.75   260.604   4783.83   259.616   179.304 5.4263  187.994 5.1558  -8.690033      7.485106 
1 1 1 12  -16 22 o 127.049 2.7425  2176.42   93.292    2256.46   132.752   2098.32   131.134   129.367 3.8311  124.731 3.9251  4.636322       5.484908 
1 1 1 12  -16 23 o 68.865  2.0921  637.165   38.539    685.412   55.595    592.533   53.472    71.377  2.9080  66.354  3.0086  5.022659       4.184274 
1 1 1 12  -16 24 o 86.874  2.2902  1017.40   53.287    1035.36   75.792    999.840   74.935    87.634  3.2290  86.114  3.2488  1.519722       4.580488 
1 1 1 12  -16 25 o 66.427  2.0976  594.744   37.315    604.752   53.300    585.123   52.259    66.974  2.9712  65.880  2.9616  1.094452       4.195108 
1 1 1 12  -16 26 o 28.998  2.3464  115.247   17.790    130.044   25.512    101.240   24.821    30.870  3.1287  27.127  3.4976  3.742613       4.692706 
1 1 1 12  -16 27 o 16.480  3.0140  38.370    13.599    47.704    19.368    29.294    19.099    18.360  4.0474  14.599  4.4672  3.761444       6.028015 
1 1 1 12  -16 28 o 51.528  2.1043  361.087   28.902    375.569   40.965    346.732   40.784    52.575  2.9205  50.482  3.0303  2.092731       4.208537 
1 1 1 12  -16 29 o 63.871  2.1557  554.860   36.866    565.981   51.864    543.503   52.415    64.533  3.0005  63.208  3.0959  1.324207       4.311355 
1 1 1 12  -16 30 o 19.483  2.8891  54.321    14.595    53.004    20.576    55.654    20.706    19.233  4.1183  19.734  4.0531  -0.5003853     5.778249 
1 1 1 12  -16 31 o 33.179  2.3844  152.742   20.887    156.836   29.505    148.628   29.573    33.647  3.3170  32.710  3.4262  0.9365807      4.768753 
1 1 1 12  -16 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -16 33 o 18.661  2.7983  51.333    13.171    46.447    21.617    54.218    16.610    17.755  4.5306  19.567  3.2856  -1.812077      5.596560 
1 1 1 12  -16 34 o 20.105  2.7678  54.494    14.091    83.973    23.296    37.486    17.695    24.236  3.7065  15.975  4.1114  8.260775       5.535556 
1 1 1 12  -16 35 f 30.877  2.3923  138.531   18.453    120.788   29.822    149.538   23.490    28.918  3.9538  32.837  2.6945  -3.918879      4.784596 
1 1 1 12  -16 36 o 13.591  3.0983  23.050    12.338    40.127    22.098    15.314    14.872    16.215  4.7696  10.967  3.9558  5.248912       6.196569 
1 1 1 12  -16 37 o 19.856  2.9605  71.146    16.050    20.944    26.679    99.622    20.093    13.194  5.1761  26.518  2.8750  -13.32337      5.920966 
1 1 1 12  -16 38 o 22.924  3.1592  89.702    17.597    57.997    29.604    107.023   21.881    18.577  5.5350  27.272  3.0476  -8.695974      6.318499 
1 1 1 12  -16 39 o 8.5397  2.6901  -5.8077   11.280    9.3911    21.215    -11.7973  13.318    10.651  4.4509  6.4284  3.0225  4.222561       5.380102 
1 1 1 12  -16 40 o 10.958  4.6774  9.8487    24.261    9.8487    24.261    0.0000    0.0000    10.958  4.6774  ?       ?       ?              ?        
1 1 1 12  -16 41 o 9.9085  2.7106  9.7331    12.357    -28.9702  24.392    23.095    14.332    7.7767  3.7703  12.040  3.8955  -4.263468      5.421268 
1 1 1 12  -16 42 o 11.034  3.1849  16.141    14.201    11.386    26.945    17.969    16.710    11.090  4.8323  10.979  4.1502  0.1116066      6.369882 
1 1 1 12  -16 43 o 27.477  3.1979  128.924   21.040    130.768   36.884    128.034   25.616    26.319  5.4129  28.634  3.4069  -2.314713      6.395797 
1 1 1 12  -16 44 o 11.357  3.3543  19.668    16.154    16.424    31.297    20.846    18.860    11.452  5.0897  11.263  4.3704  0.1890278      6.708560 
1 1 1 12  -16 45 o 12.214  3.2535  30.144    16.216    4.9720    31.213    39.451    18.979    10.169  4.7304  14.260  4.4681  -4.090562      6.506943 
1 1 1 12  -15 0  o 235.210 4.5251  7471.31   285.026   7309.64   403.657   7632.08   402.520   232.648 6.4777  237.772 6.3203  -5.123550      9.050262 
1 1 1 12  -15 1  o 93.234  2.2173  1166.40   55.368    1167.01   78.814    1165.81   77.800    93.257  3.1553  93.211  3.1162  0.4581451E-01  4.434668 
1 1 1 12  -15 2  o 110.477 2.4524  1639.83   72.500    1566.02   102.932   1712.51   102.134   108.001 3.5582  112.953 3.3759  -4.952286      4.904833 
1 1 1 12  -15 3  o 101.289 2.3497  1377.17   63.740    1360.38   90.498    1393.70   89.792    100.674 3.3561  101.904 3.2897  -1.229935      4.699480 
1 1 1 12  -15 4  o 127.112 2.6935  2170.30   91.693    2142.20   130.027   2198.10   129.323   126.290 3.8439  127.934 3.7740  -1.644012      5.386907 
1 1 1 12  -15 5  o 230.715 4.4665  7186.88   275.923   6976.98   390.384   7396.40   390.043   227.321 6.4116  234.110 6.2202  -6.788773      8.933021 
1 1 1 12  -15 6  o 136.363 2.8809  2499.83   105.132   2374.80   148.468   2625.57   148.890   132.931 4.1698  139.796 3.9763  -6.864487      5.761827 
1 1 1 12  -15 7  o 200.420 3.8993  5413.66   209.285   5531.23   295.848   5295.89   296.101   202.613 5.4515  198.228 5.5768  4.384918       7.798673 
1 1 1 12  -15 8  o 211.450 4.0618  6029.20   230.042   6041.15   324.938   6017.19   325.720   211.663 5.7315  211.236 5.7569  0.4265442      8.123509 
1 1 1 12  -15 9  o 231.616 4.4446  7245.88   275.710   7343.21   389.632   7148.28   390.194   233.189 6.2382  230.044 6.3326  3.144852       8.889132 
1 1 1 12  -15 10 o 33.572  1.7356  152.639   15.342    127.833   21.539    178.185   21.858    30.759  2.6400  36.386  2.2539  -5.627007      3.471262 
1 1 1 12  -15 11 o 155.359 3.1576  3247.24   131.393   3229.12   185.843   3265.35   185.793   154.924 4.4786  155.794 4.4523  -0.8707733     6.315130 
1 1 1 12  -15 12 o 72.103  1.9253  697.478   37.178    697.747   52.959    697.217   52.205    72.116  2.7417  72.091  2.7036  0.2558136E-01  3.850514 
1 1 1 12  -15 13 o 118.196 2.5820  1877.34   81.729    1857.35   116.167   1896.94   115.007   117.568 3.6889  118.823 3.6135  -1.254631      5.163918 
1 1 1 12  -15 14 o 164.800 3.3347  3657.93   147.191   3660.30   209.053   3655.60   207.278   164.849 4.7346  164.751 4.6972  0.9848022E-01  6.669306 
1 1 1 12  -15 15 o 74.900  1.9788  752.271   39.682    774.853   57.141    731.236   55.150    75.985  2.8076  73.816  2.7893  2.168587       3.957659 
1 1 1 12  -15 16 o 148.481 3.0551  2968.78   121.459   2902.65   172.699   3033.50   170.853   146.831 4.3912  150.130 4.2488  -3.298431      6.110213 
1 1 1 12  -15 17 o 84.948  2.1840  969.516   49.660    953.115   71.159    985.088   69.337    84.242  3.1536  85.654  3.0223  -1.411186      4.368009 
1 1 1 12  -15 18 o 77.762  2.0990  811.238   43.700    838.135   62.900    786.142   60.757    79.007  2.9724  76.517  2.9645  2.489288       4.197973 
1 1 1 12  -15 19 o 210.482 4.1798  5997.81   235.625   5925.26   333.850   6069.82   332.602   209.196 5.9581  211.768 5.8637  -2.572754      8.359591 
1 1 1 12  -15 20 o 62.667  1.9985  527.572   33.511    521.920   48.360    532.793   46.478    62.340  2.8962  62.995  2.7546  -0.6543159     3.996979 
1 1 1 12  -15 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -15 22 o 148.321 3.1183  2969.75   123.881   2980.48   175.549   2959.10   174.842   148.588 4.4109  148.055 4.4090  0.5331726      6.236570 
1 1 1 12  -15 23 o 15.395  2.9012  33.773    13.092    15.092    19.704    48.536    17.517    12.127  4.5227  18.663  3.6348  -6.535860      5.802319 
1 1 1 12  -15 24 o 26.764  2.5410  101.732   16.922    70.654    24.387    130.593   23.501    22.502  4.2006  31.025  2.8603  -8.522636      5.081944 
1 1 1 12  -15 25 o 71.755  2.1725  693.981   41.754    690.636   59.069    697.321   59.029    71.581  3.0808  71.929  3.0639  -0.3481293     4.345004 
1 1 1 12  -15 26 o 96.488  2.4684  1259.23   63.793    1248.73   90.024    1269.81   90.410    96.082  3.4981  96.893  3.4836  -0.8115997     4.936844 
1 1 1 12  -15 27 o 90.173  2.3629  1101.03   57.068    1095.95   80.293    1106.22   81.127    89.965  3.3321  90.380  3.3512  -0.4148560     4.725810 
1 1 1 12  -15 28 o 111.644 2.6781  1699.55   80.038    1750.30   112.565   1647.66   113.826   113.371 3.7069  109.917 3.8662  3.454231       5.356194 
1 1 1 12  -15 29 o 36.227  2.2335  179.929   21.420    189.321   30.109    170.305   30.479    37.220  3.0469  35.235  3.2667  1.985325       4.467093 
1 1 1 12  -15 30 f 103.285 2.5160  1463.18   69.431    1437.79   101.277   1485.70   95.371    102.347 3.6944  104.222 3.4164  -1.874779      5.031946 
1 1 1 12  -15 31 o 22.794  2.4010  71.644    13.797    77.252    22.709    68.364    17.370    23.398  3.7501  22.190  2.9994  1.208838       4.802081 
1 1 1 12  -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -15 33 o 44.167  2.0478  266.410   23.789    281.623   37.070    255.759   31.019    45.155  3.0834  43.178  2.6956  1.976315       4.095547 
1 1 1 12  -15 34 o 24.829  2.4092  83.486    15.246    105.740   24.984    70.283    19.244    27.367  3.4877  22.292  3.3245  5.074226       4.818368 
1 1 1 12  -15 35 o 30.314  2.4980  135.223   18.833    109.431   29.598    152.768   24.412    27.445  4.1565  33.184  2.7720  -5.739071      4.996058 
1 1 1 12  -15 36 o 13.377  3.0380  26.460    12.378    18.318    21.377    30.566    15.183    12.383  4.6909  14.372  3.8616  -1.989599      6.075909 
1 1 1 12  -15 37 o 43.461  2.2150  265.258   25.152    280.784   39.891    255.012   32.406    44.311  3.3867  42.611  2.8558  1.699852       4.430049 
1 1 1 12  -15 38 o 13.127  3.2152  25.762    13.990    15.548    24.131    30.934    17.171    12.060  4.8588  14.193  4.2122  -2.133140      6.430447 
1 1 1 12  -15 39 o 13.009  2.7919  26.011    13.292    -8.2287   22.749    43.759    16.379    9.1115  4.1658  16.907  3.7180  -7.795309      5.583706 
1 1 1 12  -15 40 o 14.016  3.8432  19.936    19.842    2.9288    23.525    61.855    36.933    10.154  4.4673  17.878  6.2549  -7.723577      7.686359 
1 1 1 12  -15 41 o 9.1044  2.8263  -3.3527   10.892    19.477    24.010    -9.2690   12.223    11.947  4.8348  6.2618  2.9285  5.685228       5.652604 
1 1 1 12  -15 42 o 34.086  3.1193  202.037   24.632    153.320   40.943    229.672   30.836    28.863  5.4969  39.309  2.9503  -10.44655      6.238545 
1 1 1 12  -15 43 o 11.924  3.3879  21.091    15.430    25.727    28.794    19.223    18.275    12.626  5.2229  11.223  4.3167  1.402083       6.775880 
1 1 1 12  -15 44 o 12.784  3.5143  27.858    15.727    38.096    30.946    24.294    18.261    13.685  5.5062  11.882  4.3684  1.803193       7.028593 
1 1 1 12  -15 45 o 12.984  3.5755  31.704    16.444    48.343    31.119    25.257    19.369    14.261  5.5915  11.706  4.4579  2.555058       7.151090 
1 1 1 12  -14 0  o 106.170 2.4250  1512.90   68.954    1504.16   98.023    1521.46   97.015    105.865 3.4569  106.476 3.4017  -0.6106949     4.849942 
1 1 1 12  -14 1  o 106.868 2.4285  1533.60   69.475    1483.82   98.736    1582.43   97.776    105.145 3.5059  108.592 3.3616  -3.447014      4.857097 
1 1 1 12  -14 2  o 163.378 3.2850  3588.29   143.752   3590.60   203.935   3586.01   202.663   163.429 4.6588  163.328 4.6326  0.1010437      6.570030 
1 1 1 12  -14 3  o 222.458 4.2662  6669.59   254.191   6744.95   360.178   6594.81   358.785   223.715 6.0108  221.200 6.0556  2.514343       8.532334 
1 1 1 12  -14 4  o 104.792 2.3705  1473.51   66.535    1489.12   94.358    1458.07   93.832    105.344 3.3441  104.239 3.3607  1.104820       4.741033 
1 1 1 12  -14 5  o 28.687  1.9608  113.602   13.978    71.313    19.266    160.611   20.312    22.828  3.2419  34.545  2.2068  -11.71727      3.921689 
1 1 1 12  -14 6  o 238.692 4.6374  7689.98   296.405   7481.34   418.931   7899.12   419.430   235.425 6.6436  241.958 6.4719  -6.532486      9.274811 
1 1 1 12  -14 7  o 197.238 3.8582  5238.65   203.816   5292.44   287.971   5184.65   288.508   198.259 5.4228  196.217 5.4895  2.042252       7.716321 
1 1 1 12  -14 8  o 239.599 4.5402  7748.05   291.365   7791.65   411.693   7704.29   412.414   240.281 6.3968  238.917 6.4446  1.364456       9.080329 
1 1 1 12  -14 9  o 127.926 2.6607  2197.78   91.148    2136.77   128.538   2259.48   129.270   126.136 3.8046  129.715 3.7206  -3.579193      5.321433 
1 1 1 12  -14 10 o 54.019  1.7136  391.262   24.794    391.889   35.199    390.645   34.930    54.062  2.4308  53.977  2.4161  0.8553314E-01  3.427283 
1 1 1 12  -14 11 o 168.753 3.3408  3831.72   151.003   3834.06   213.892   3829.40   213.210   168.803 4.7307  168.702 4.7184  0.1006470      6.681542 
1 1 1 12  -14 12 o 148.091 3.0122  2948.67   119.480   2968.70   169.622   2928.95   168.327   148.590 4.2619  147.592 4.2580  0.9976807      6.024460 
1 1 1 12  -14 13 o 80.624  2.0288  872.206   43.794    871.897   62.837    872.498   61.069    80.608  2.9104  80.641  2.8273  -0.3219604E-01 4.057589 
1 1 1 12  -14 14 o 174.655 3.4654  4108.98   162.105   4101.13   230.308   4116.69   228.210   174.484 4.9279  174.826 4.8735  -0.3418884     6.930750 
1 1 1 12  -14 15 o 162.995 3.3313  3581.39   145.276   3407.26   206.297   3752.69   204.616   159.035 4.8430  166.955 4.5756  -7.919693      6.662644 
1 1 1 12  -14 16 o 74.594  2.0543  748.368   40.962    708.507   58.702    786.196   57.185    72.648  3.0167  76.541  2.7894  -3.892685      4.108674 
1 1 1 12  -14 17 o 58.337  1.9109  456.646   29.834    457.584   43.109    455.784   41.329    58.392  2.7563  58.282  2.6475  0.1102753      3.821833 
1 1 1 12  -14 18 o 119.173 2.6718  1910.45   85.251    1870.44   121.355   1949.43   119.787   117.933 3.8418  120.414 3.7140  -2.481003      5.343543 
1 1 1 12  -14 19 o 64.708  1.9873  561.246   34.409    597.457   49.630    527.729   47.748    66.716  2.7773  62.699  2.8432  4.017307       3.974547 
1 1 1 12  -14 20 o 116.605 2.6529  1828.75   82.845    1871.45   117.738   1786.89   116.591   117.956 3.7265  115.254 3.7768  2.702461       5.305773 
1 1 1 12  -14 21 o 157.320 3.9964  3374.44   159.379   3427.27   196.890   3274.01   271.447   159.400 4.6115  155.240 6.5282  4.159988       7.992708 
1 1 1 12  -14 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -14 23 o 120.768 2.7623  1966.18   89.353    1980.83   126.294   1951.49   126.433   121.222 3.8897  120.314 3.9233  0.9078217      5.524690 
1 1 1 12  -14 24 o 23.228  2.6596  75.118    15.836    62.782    22.431    87.379    22.361    21.208  4.0969  25.247  3.3926  -4.038002      5.319216 
1 1 1 12  -14 25 o 121.973 2.8003  2011.84   91.481    2019.55   128.895   2004.02   129.857   122.215 3.9375  121.731 3.9827  0.4842987      5.600504 
1 1 1 12  -14 26 f 43.620  2.1743  257.983   25.227    265.472   35.526    250.365   35.829    44.272  3.0139  42.968  3.1348  1.304203       4.348591 
1 1 1 12  -14 27 o 131.598 2.9614  2357.51   104.332   2417.56   146.657   2295.98   148.455   133.335 4.1065  129.860 4.2681  3.475006       5.922795 
1 1 1 12  -14 28 o 34.257  1.9973  159.078   17.926    162.987   27.807    156.298   23.450    34.579  3.0329  33.936  2.5996  0.6423988      3.994567 
1 1 1 12  -14 29 o 46.837  1.9424  293.340   24.072    343.408   36.714    255.584   31.882    50.304  2.7351  43.371  2.7588  6.933022       3.884802 
1 1 1 12  -14 30 o 11.974  2.6893  19.412    10.439    6.1012    16.810    27.766    13.318    9.9657  4.0411  13.983  3.5495  -4.017540      5.378655 
1 1 1 12  -14 31 o 44.439  1.9999  265.120   23.470    312.242   36.077    230.544   30.903    47.815  2.8295  41.063  2.8269  6.752277       3.999713 
1 1 1 12  -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -14 33 f 16.183  2.7970  41.266    12.552    19.720    20.545    54.098    15.855    12.749  4.6416  19.617  3.1222  -6.868479      5.593989 
1 1 1 12  -14 34 f 19.584  2.8881  59.082    14.059    44.434    23.708    67.028    17.461    17.309  4.8950  21.859  3.0667  -4.549173      5.776260 
1 1 1 12  -14 35 o 27.152  2.4122  103.308   16.682    108.732   27.132    100.011   21.153    27.568  3.7734  26.736  3.0059  0.8321819      4.824315 
1 1 1 12  -14 36 o 16.458  2.8829  44.844    13.635    16.491    22.910    60.395    16.967    12.340  4.8088  20.577  3.1811  -8.237159      5.765777 
1 1 1 12  -14 37 f 14.131  2.9637  23.079    12.278    51.599    21.895    9.9967    14.829    18.346  4.4917  9.9162  3.8676  8.429886       5.927372 
1 1 1 12  -14 38 o 32.556  2.4594  153.908   20.329    154.680   33.327    153.451   25.654    32.267  3.9379  32.846  2.9473  -0.5791702     4.918708 
1 1 1 12  -14 39 o 9.8593  2.8921  7.4642    11.474    9.2008    21.812    6.7997    13.492    10.786  4.5107  8.9324  3.6210  1.853848       5.784274 
1 1 1 12  -14 40 o 25.078  3.1149  103.471   19.029    89.455    31.519    111.510   23.871    22.796  5.2678  27.359  3.3258  -4.563210      6.229825 
1 1 1 12  -14 41 o 13.282  3.0779  30.536    14.383    2.7460    26.996    41.551    16.996    10.526  4.6992  16.038  3.9763  -5.511864      6.155805 
1 1 1 12  -14 42 o 12.526  2.9380  6.0766    13.152    60.634    24.937    -14.9471  15.480    18.404  4.9507  6.6486  3.1650  11.75541       5.875911 
1 1 1 12  -14 43 o 17.146  3.4916  44.173    16.714    90.422    30.855    24.964    19.885    22.014  5.2970  12.278  4.5504  9.736462       6.983143 
1 1 1 12  -14 44 o 11.519  3.3098  20.470    15.027    19.739    29.054    20.737    17.558    11.751  5.0689  11.287  4.2572  0.4642477      6.619505 
1 1 1 12  -14 45 o 17.958  3.4875  71.127    18.306    50.619    33.791    79.646    21.778    14.396  5.7673  21.519  3.9229  -7.122964      6.975032 
1 1 1 12  -13 0  o 138.165 2.8999  2563.27   107.316   2564.10   152.337   2562.45   151.204   138.186 4.1158  138.145 4.0864  0.4199219E-01  5.799843 
1 1 1 12  -13 1  o 239.187 4.5884  7711.13   293.952   7661.68   416.367   7760.27   415.059   238.415 6.5201  239.959 6.4578  -1.543716      9.176843 
1 1 1 12  -13 2  o 205.376 3.9789  5675.38   218.875   5707.98   310.194   5643.05   308.883   205.964 5.6228  204.788 5.6312  1.176102       7.957783 
1 1 1 12  -13 3  o 76.424  2.0048  783.586   41.010    753.966   58.173    812.851   57.823    74.986  2.8964  77.863  2.7726  -2.877136      4.009516 
1 1 1 12  -13 4  o 397.088 7.3879  21457.32  785.772   21556.45  1111.78   21358.38  1110.72   398.016 10.429  396.160 10.468  1.856201       14.77587 
1 1 1 12  -13 5  o 41.237  2.9092  258.329   27.155    302.338   33.165    168.813   47.300    47.417  2.6215  35.058  5.1943  12.35879       5.818327 
1 1 1 12  -13 6  o 168.889 3.3520  3833.12   151.628   3853.55   214.205   3812.60   214.664   169.342 4.7226  168.435 4.7581  0.9065704      6.703905 
1 1 1 12  -13 7  o 163.213 3.2343  3579.23   141.387   3543.45   199.510   3615.32   200.396   162.392 4.5868  164.034 4.5611  -1.641647      6.468544 
1 1 1 12  -13 8  o 189.458 3.6661  4828.31   186.040   4821.27   262.732   4835.40   263.471   189.320 5.1812  189.596 5.1882  -0.2758942     7.332246 
1 1 1 12  -13 9  o 119.530 2.5768  1918.38   82.454    1844.66   116.512   1992.35   116.704   117.223 3.7108  121.836 3.5762  -4.612694      5.153561 
1 1 1 12  -13 10 o 56.533  1.6963  428.323   25.682    438.160   36.697    418.879   35.955    57.169  2.3965  55.897  2.4015  1.272125       3.392694 
1 1 1 12  -13 11 o 129.957 2.6886  2267.98   93.541    2363.30   133.057   2174.83   131.530   132.662 3.7446  127.252 3.8590  5.410225       5.377115 
1 1 1 12  -13 12 o 180.881 3.5593  4403.87   172.435   4466.72   244.896   4342.07   242.836   182.163 5.0192  179.598 5.0480  2.564957       7.118616 
1 1 1 12  -13 13 o 120.121 2.5725  1938.49   82.737    1908.12   118.036   1967.83   116.007   119.190 3.6973  121.052 3.5779  -1.861580      5.145004 
1 1 1 12  -13 14 o 58.138  1.7976  453.530   27.958    448.829   40.432    457.837   38.702    57.847  2.6095  58.429  2.4730  -0.5821724     3.595154 
1 1 1 12  -13 15 f 64.455  1.9062  557.747   32.870    548.112   47.417    566.660   45.607    63.916  2.7697  64.995  2.6198  -1.078732      3.812412 
1 1 1 12  -13 16 o 105.598 2.4641  1499.83   69.604    1430.07   99.240    1567.37   97.650    103.169 3.5913  108.028 3.3748  -4.859367      4.928124 
1 1 1 12  -13 17 o 169.385 3.4317  3866.53   155.682   3834.06   220.860   3898.59   219.482   168.670 4.8886  170.099 4.8173  -1.429016      6.863350 
1 1 1 12  -13 18 o 27.916  2.0957  105.845   15.400    104.815   22.408    106.767   21.199    27.773  3.0633  28.059  2.8608  -0.2861843     4.191370 
1 1 1 12  -13 19 f 176.555 3.5556  4204.85   168.124   4282.64   238.065   4127.46   237.462   178.194 4.9879  174.916 5.0685  3.278214       7.111127 
1 1 1 12  -13 20 o 4.9616  1.7542  -37.8731  9.7005    -41.9792  14.379    -34.4436  13.141    4.9735  2.4943  4.9496  2.4673  0.2394772E-01  3.508402 
1 1 1 12  -13 21 o 85.882  2.2531  991.408   51.785    1040.70   73.364    942.460   73.107    88.016  3.1119  83.747  3.2591  4.269745       4.506219 
1 1 1 12  -13 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -13 23 o 107.304 2.5646  1550.85   73.672    1599.18   103.804   1501.80   104.575   109.000 3.5555  105.608 3.6969  3.392189       5.129216 
1 1 1 12  -13 24 o 67.711  2.1440  616.861   38.872    626.524   54.560    606.898   55.396    68.255  2.9843  67.168  3.0791  1.086578       4.288056 
1 1 1 12  -13 25 o 47.925  2.0651  310.230   26.374    310.411   36.854    310.039   37.761    47.945  2.8832  47.905  2.9573  0.3926086E-01  4.130189 
1 1 1 12  -13 26 o 58.422  1.9955  455.966   31.006    524.588   46.268    400.029   41.773    62.421  2.7673  54.423  2.8759  7.998219       3.991046 
1 1 1 12  -13 27 o 90.956  2.3153  1118.56   56.294    1109.19   82.057    1126.90   77.374    90.569  3.3826  91.344  3.1625  -0.7754517     4.630664 
1 1 1 12  -13 28 o 31.223  2.0308  131.348   16.640    142.961   25.692    122.956   21.839    32.386  2.9957  30.060  2.7427  2.325897       4.061609 
1 1 1 12  -13 29 o 11.435  2.0067  11.635    9.9724    -38.4369  16.449    40.733    12.539    5.7396  2.8441  17.131  2.8318  -11.39106      4.013453 
1 1 1 12  -13 30 o 55.153  2.0280  415.155   29.645    397.994   44.280    429.095   39.908    54.020  3.0730  56.286  2.6471  -2.266335      4.055922 
1 1 1 12  -13 31 o 32.164  2.0748  142.484   17.322    139.331   27.118    144.656   22.513    31.779  3.2309  32.550  2.6040  -0.7718163     4.149656 
1 1 1 12  -13 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -13 33 o 24.202  2.3905  81.569    14.750    85.213    23.573    79.224    18.910    24.544  3.7007  23.861  3.0269  0.6832886      4.780962 
1 1 1 12  -13 34 o 22.975  2.6688  77.823    15.144    65.621    24.320    85.552    19.355    21.169  4.4314  24.782  2.9753  -3.613306      5.337569 
1 1 1 12  -13 35 o 63.351  2.2016  559.627   36.790    535.851   55.957    577.730   48.826    61.926  3.3864  64.776  2.8142  -2.850304      4.403119 
1 1 1 12  -13 36 o 9.7574  2.7488  2.9598    10.651    19.490    18.802    -4.8520   12.926    12.303  4.4463  7.2119  3.2334  5.090979       5.497638 
1 1 1 12  -13 37 o 14.892  3.1525  30.184    12.777    44.610    23.264    23.953    15.289    16.973  4.8658  12.811  4.0097  4.162307       6.305030 
1 1 1 12  -13 38 o 16.273  3.1958  35.548    14.031    62.319    25.167    23.473    16.902    19.871  4.7855  12.675  4.2370  7.195941       6.391642 
1 1 1 12  -13 39 o 23.772  3.1423  95.451    17.934    66.875    30.169    111.066   22.301    19.826  5.4922  27.717  3.0547  -7.890676      6.284565 
1 1 1 12  -13 40 o 15.342  4.0367  35.773    21.381    23.876    26.272    59.106    36.794    12.991  5.1236  17.693  6.2392  -4.702456      8.073333 
1 1 1 12  -13 41 o 29.042  2.8297  127.357   20.488    153.061   35.488    114.506   25.093    30.671  4.4497  27.414  3.4970  3.256783       5.659416 
1 1 1 12  -13 42 o 8.6826  2.7169  1.1622    12.199    -15.5566  23.908    7.0475    14.185    8.4873  4.0084  8.8780  3.6687  -0.3906965     5.433840 
1 1 1 12  -13 43 o 24.449  3.2654  97.639    19.208    117.663   35.037    89.036    22.967    25.269  5.3436  23.628  3.7546  1.641315       6.530789 
1 1 1 12  -13 44 o 13.950  3.4164  38.370    17.354    14.176    31.131    49.279    20.904    11.421  5.0760  16.479  4.5741  -5.058165      6.832868 
1 1 1 12  -13 45 o 10.359  3.2193  3.4619    15.257    38.159    30.258    -8.3679   17.668    13.252  5.4036  7.4666  3.5012  5.785182       6.438684 
1 1 1 12  -12 0  o 291.424 5.4840  11462.04  428.067   11513.85  606.091   11410.47  604.667   292.084 7.7471  290.765 7.7640  1.319183       10.96804 
1 1 1 12  -12 1  o 105.445 2.4002  1491.56   67.775    1465.27   96.302    1517.37   95.400    104.522 3.4398  106.368 3.3485  -1.846344      4.800501 
1 1 1 12  -12 2  o 98.098  2.2485  1290.31   59.079    1297.28   83.926    1283.47   83.179    98.360  3.1856  97.835  3.1741  0.5246811      4.497006 
1 1 1 12  -12 3  o 176.156 3.4685  4168.42   163.628   4095.66   231.811   4240.69   231.002   174.618 4.9563  177.693 4.8535  -3.075500      6.936947 
1 1 1 12  -12 4  o 141.843 5.8133  2705.51   220.862   0.0000    0.0000    2705.51   220.862   ?       ?       141.843 5.8133  ?              ?        
1 1 1 12  -12 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -12 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -12 7  o 94.496  3.0733  1197.76   77.737    1169.38   107.614   1228.73   112.415   93.328  4.3049  95.663  4.3873  -2.334709      6.146587 
1 1 1 12  -12 8  o 69.972  1.8522  656.355   34.710    645.226   49.030    667.537   49.145    69.377  2.6385  70.567  2.6001  -1.190315      3.704343 
1 1 1 12  -12 9  o 178.325 3.4918  4274.20   166.781   4313.93   236.257   4234.74   235.472   179.153 4.9235  177.497 4.9529  1.655792       6.983682 
1 1 1 12  -12 10 o 318.356 5.9891  13728.70  510.691   13691.66  722.919   13765.59  721.536   317.919 8.4895  318.793 8.4501  -0.8739929     11.97815 
1 1 1 12  -12 11 o 158.536 3.1813  3378.07   135.074   3349.56   192.018   3406.00   190.045   157.868 4.5411  159.203 4.4567  -1.334915      6.362673 
1 1 1 12  -12 12 o 137.324 2.8454  2532.52   104.643   2592.48   149.136   2474.37   146.866   138.926 4.0079  135.721 4.0400  3.204605       5.690754 
1 1 1 12  -12 13 o 98.567  2.2677  1303.66   59.855    1309.70   85.634    1297.88   83.696    98.789  3.2363  98.345  3.1773  0.4432220      4.535309 
1 1 1 12  -12 14 o 151.384 3.1189  3083.56   126.388   2977.48   179.506   3187.83   177.982   148.787 4.5043  153.980 4.3154  -5.193039      6.237883 
1 1 1 12  -12 15 o 87.036  2.1629  1016.21   50.411    1038.10   72.211    995.404   70.406    87.949  3.0654  86.122  3.0521  1.827034       4.325748 
1 1 1 12  -12 16 o 70.757  1.9874  671.849   37.650    668.341   53.954    675.178   52.563    70.574  2.8542  70.939  2.7664  -0.3642349     3.974830 
1 1 1 12  -12 17 o 173.967 3.4849  4078.07   162.366   4154.92   230.068   4001.81   229.175   175.608 4.8913  172.326 4.9651  3.281876       6.969707 
1 1 1 12  -12 18 o 70.562  2.0516  668.557   38.760    651.895   55.091    684.888   54.542    69.688  2.9514  71.435  2.8506  -1.747307      4.103268 
1 1 1 12  -12 19 o 170.546 3.4568  3921.13   157.900   3867.75   223.119   3974.69   223.489   169.376 4.9181  171.715 4.8591  -2.339371      6.913672 
1 1 1 12  -12 20 o 99.198  2.4316  1322.50   64.599    1346.01   91.236    1298.87   91.478    100.086 3.4033  98.311  3.4740  1.775108       4.863256 
1 1 1 12  -12 21 o 66.689  2.0747  597.072   37.041    571.292   51.999    623.630   52.778    65.225  2.9764  68.152  2.8912  -2.927422      4.149487 
1 1 1 12  -12 22 o 133.840 4.1211  2428.55   147.528   2286.00   208.937   2570.29   208.336   129.873 6.0063  137.807 5.6442  -7.934433      8.242151 
1 1 1 12  -12 23 o 92.721  3.4982  1167.44   86.370    1228.87   119.540   1100.34   124.930   95.400  4.6782  90.041  5.2022  5.358620       6.996315 
1 1 1 12  -12 24 o 77.468  2.1199  804.270   43.914    864.705   64.181    751.069   60.216    80.197  2.9878  74.740  3.0080  5.457054       4.239703 
1 1 1 12  -12 25 o 70.245  2.0535  658.910   38.358    780.827   56.732    556.238   52.062    76.200  2.7796  64.290  3.0234  11.90982       4.106934 
1 1 1 12  -12 26 o 116.584 2.6505  1836.16   82.715    1857.00   119.379   1816.92   114.715   117.204 3.8027  115.963 3.6933  1.241135       5.301023 
1 1 1 12  -12 27 o 86.926  2.2546  1019.90   52.402    1024.45   76.469    1015.87   71.952    87.088  3.2782  86.763  3.0961  0.3252792      4.509168 
1 1 1 12  -12 28 o 30.354  2.0505  125.464   16.246    125.900   25.090    125.148   21.319    30.357  3.1306  30.350  2.6490  0.6551743E-02  4.100968 
1 1 1 12  -12 29 o 36.702  2.0214  185.939   19.327    166.895   29.378    200.470   25.662    34.945  3.1733  38.460  2.5048  -3.515240      4.042781 
1 1 1 12  -12 30 o 21.049  2.4717  62.480    12.991    59.801    21.122    64.109    16.476    20.552  3.9808  21.547  2.9308  -0.9946270     4.943325 
1 1 1 12  -12 31 o 56.226  2.0338  430.085   30.357    434.705   45.756    426.452   40.574    56.406  3.0398  56.045  2.7028  0.3611145      4.067596 
1 1 1 12  -12 32 o 21.766  6.1812  70.920    37.722    70.920    37.722    0.0000    0.0000    21.766  6.1812  ?       ?       ?              ?        
1 1 1 12  -12 33 f 51.071  2.0818  358.142   27.983    358.027   43.152    358.226   36.759    50.961  3.1772  51.181  2.6909  -0.2203636     4.163580 
1 1 1 12  -12 34 o 58.700  2.1404  473.679   33.251    480.878   50.804    468.285   43.980    58.942  3.2303  58.457  2.8088  0.4856033      4.280701 
1 1 1 12  -12 35 o 8.8922  2.6191  3.6803    10.202    -6.9803   18.654    8.2301    12.187    8.6300  3.8757  9.1544  3.5239  -0.5244274     5.238238 
1 1 1 12  -12 36 o 12.093  2.7659  19.682    12.046    -5.6065   20.442    33.136    14.910    9.1639  4.0903  15.021  3.7243  -5.857267      5.531869 
1 1 1 12  -12 37 o 11.144  2.9787  14.012    11.262    16.692    21.165    12.953    13.301    12.046  4.6421  10.241  3.7338  1.804763       5.957389 
1 1 1 12  -12 38 o 52.139  2.2696  386.166   30.881    396.879   49.066    379.139   39.738    52.419  3.5150  51.859  2.8720  0.5597458      4.539137 
1 1 1 12  -12 39 o 46.375  2.3681  313.789   28.308    308.230   45.533    317.290   36.142    45.555  3.7654  47.194  2.8728  -1.639339      4.736149 
1 1 1 12  -12 40 o 14.198  5.2013  32.451    25.856    32.451    25.856    0.0000    0.0000    14.198  5.2013  ?       ?       ?              ?        
1 1 1 12  -12 41 o 11.289  3.1191  17.222    13.034    12.921    24.663    18.889    15.353    11.309  4.7666  11.269  4.0242  0.3977871E-01  6.238184 
1 1 1 12  -12 42 o 13.637  3.4041  23.678    14.500    55.146    28.163    12.328    16.915    17.116  5.4528  10.158  4.0766  6.958002       6.808164 
1 1 1 12  -12 43 o 14.050  3.5077  34.292    15.349    36.505    30.588    33.548    17.744    14.081  5.5364  14.019  4.3085  0.6174660E-01  7.015368 
1 1 1 12  -12 44 o 25.663  3.4113  110.978   21.438    144.999   38.140    95.265    25.920    27.667  5.3401  23.659  4.2462  4.007751       6.822533 
1 1 1 12  -12 45 o 10.293  3.1534  12.906    16.288    -6.2516   31.558    19.862    19.016    9.6505  4.5720  10.935  4.3444  -1.284828      6.306894 
1 1 1 12  -11 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -11 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -11 2  o 108.335 3.0343  1625.19   81.520    1720.03   99.833    1435.41   141.219   113.270 3.2906  103.400 5.0990  9.870056       6.068570 
1 1 1 12  -11 3  o 414.569 7.6656  23275.82  851.129   22922.75  1203.90   23628.64  1203.46   411.390 10.926  417.749 10.755  -6.358612      15.33129 
1 1 1 12  -11 4  o 318.051 5.9816  13640.61  509.551   13517.09  720.596   13764.13  720.632   316.601 8.4975  319.500 8.4208  -2.899750      11.96317 
1 1 1 12  -11 5  o 113.553 2.5078  1729.03   76.255    1679.02   107.473   1779.72   108.212   111.898 3.5858  115.208 3.5067  -3.310135      5.015509 
1 1 1 12  -11 6  o 218.817 4.1950  6435.74   245.861   6357.07   347.186   6514.88   348.216   217.472 5.9603  220.162 5.9049  -2.690063      8.390094 
1 1 1 12  -11 7  o 214.893 4.1356  6208.86   237.949   6007.53   336.205   6410.92   336.818   211.389 5.9379  218.396 5.7579  -7.006744      8.271130 
1 1 1 12  -11 8  o 115.079 4.9304  1778.65   151.973   1778.65   151.973   0.0000    0.0000    115.079 4.9304  ?       ?       ?              ?        
1 1 1 12  -11 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -11 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -11 11 o 166.568 3.3464  3728.39   149.293   3732.94   212.199   3723.93   210.082   166.666 4.7534  166.470 4.7115  0.1962585      6.692803 
1 1 1 12  -11 12 o 120.055 2.6092  1934.55   83.893    1943.25   119.585   1926.13   117.724   120.319 3.7107  119.791 3.6690  0.5282211      5.218318 
1 1 1 12  -11 13 o 111.249 2.4759  1660.62   73.750    1725.48   105.294   1598.17   103.330   113.383 3.4671  109.115 3.5355  4.267616       4.951836 
1 1 1 12  -11 14 f 75.454  1.9974  763.146   40.350    794.654   57.864    733.320   56.297    76.970  2.8067  73.938  2.8427  3.031502       3.994786 
1 1 1 12  -11 15 o 60.080  1.9165  485.601   30.741    446.243   43.851    523.635   43.107    57.675  2.8386  62.485  2.5756  -4.810837      3.832953 
1 1 1 12  -11 16 o 99.656  2.3455  1333.35   62.606    1336.97   88.772    1329.78   88.305    99.790  3.3213  99.522  3.3127  0.2680893      4.690908 
1 1 1 12  -11 17 o 65.622  1.9711  577.777   34.644    583.166   49.129    572.446   48.860    65.926  2.7822  65.317  2.7928  0.6092072      3.942102 
1 1 1 12  -11 18 o 171.942 3.5001  3984.96   161.157   4078.67   227.686   3890.88   228.134   173.982 4.8859  169.902 5.0131  4.079697       7.000193 
1 1 1 12  -11 19 o 99.699  2.3989  1336.05   64.024    1378.99   90.148    1292.35   90.943    101.323 3.3217  98.076  3.4619  3.247032       4.797795 
1 1 1 12  -11 20 o 177.816 3.6259  4265.53   172.690   4236.12   243.374   4295.35   245.076   177.199 5.1277  178.434 5.1278  -1.234634      7.251768 
1 1 1 12  -11 21 f 102.074 2.4628  1400.85   67.308    1423.92   94.367    1376.95   96.029    102.936 3.4227  101.212 3.5423  1.724251       4.925695 
1 1 1 12  -11 22 o 139.229 2.9599  2614.14   110.228   2498.12   157.522   2725.47   154.299   136.172 4.3188  142.285 4.0487  -6.112595      5.919798 
1 1 1 12  -11 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -11 24 o 72.104  2.0609  694.837   39.399    844.352   58.011    566.824   53.678    79.279  2.7319  64.928  3.0865  14.35062       4.121870 
1 1 1 12  -11 25 o 131.944 2.8650  2350.19   101.211   2374.03   145.486   2327.83   140.892   132.580 4.0969  131.308 4.0060  1.272247       5.729922 
1 1 1 12  -11 26 o 104.804 2.5469  1491.88   71.050    1346.50   102.648   1625.60   98.443    99.815  3.8394  109.792 3.3475  -9.977165      5.093828 
1 1 1 12  -11 27 o 46.301  1.9927  290.394   24.401    285.752   36.713    294.067   32.657    45.938  3.0002  46.664  2.6235  -0.7257309     3.985457 
1 1 1 12  -11 28 o 92.411  2.3470  1154.76   58.003    1172.26   84.680    1139.30   79.612    93.047  3.3978  91.775  3.2386  1.271591       4.693995 
1 1 1 12  -11 29 o 73.473  2.1113  725.116   41.383    816.122   61.540    649.991   55.913    77.657  2.9586  69.290  3.0127  8.366493       4.222528 
1 1 1 12  -11 30 o 42.182  1.9957  241.609   22.177    246.085   34.063    238.315   29.217    42.475  3.0136  41.890  2.6171  0.5851135      3.991389 
1 1 1 12  -11 31 o 23.612  2.3555  74.036    14.111    101.305   22.769    57.032    17.980    27.072  3.2020  20.151  3.4556  6.921276       4.711050 
1 1 1 12  -11 32 o 70.843  4.8580  709.409   91.623    709.409   91.623    0.0000    0.0000    70.843  4.8580  ?       ?       ?              ?        
1 1 1 12  -11 33 o 50.397  2.1386  353.530   28.135    320.795   43.262    377.522   37.036    48.153  3.3756  52.641  2.6267  -4.488354      4.277179 
1 1 1 12  -11 34 o 24.049  2.8545  94.502    16.024    49.048    25.802    123.038   20.444    18.177  5.0948  29.920  2.5761  -11.74343      5.709078 
1 1 1 12  -11 35 o 9.2254  2.5677  4.1904    10.637    -17.3146  17.939    15.850    13.209    7.4792  3.5137  10.972  3.7453  -3.492424      5.135486 
1 1 1 12  -11 36 o 12.103  3.0584  17.630    11.851    24.411    21.108    14.509    14.321    13.423  4.7265  10.784  3.8828  2.638795       6.116844 
1 1 1 12  -11 37 o 49.811  2.2248  346.648   29.022    366.427   45.923    333.495   37.449    50.785  3.3956  48.838  2.8755  1.946461       4.449531 
1 1 1 12  -11 38 o 13.634  3.1071  28.920    13.884    9.0593    24.619    38.182    16.812    11.408  4.7829  15.860  3.9675  -4.452476      6.214272 
1 1 1 12  -11 39 o 43.258  2.4257  274.935   26.866    265.462   43.476    280.786   34.171    42.134  3.8965  44.382  2.8903  -2.248528      4.851439 
1 1 1 12  -11 40 o 10.704  5.1398  -33.4537  42.760    -33.4537  42.760    0.0000    0.0000    10.704  5.1398  ?       ?       ?              ?        
1 1 1 12  -11 41 o 7.7000  2.4975  -6.3736   11.456    -31.6023  23.440    1.5444    13.131    7.5122  3.6544  7.8878  3.4052  -0.3756795     4.994937 
1 1 1 12  -11 42 o 11.215  3.2223  15.788    13.921    15.152    27.606    16.005    16.121    11.729  4.9975  10.702  4.0690  1.026834       6.444560 
1 1 1 12  -11 43 o 10.955  3.2259  14.561    14.445    10.573    29.342    15.837    16.596    11.290  4.9770  10.620  4.1056  0.6693850      6.451860 
1 1 1 12  -11 44 o 22.939  3.5492  91.748    19.788    114.061   36.368    82.365    23.584    23.782  5.7685  22.097  4.1367  1.684242       7.098492 
1 1 1 12  -11 45 f 22.337  3.8226  102.716   21.439    107.128   39.555    100.881   25.512    20.614  6.4490  24.061  4.1059  -3.447382      7.645112 
1 1 1 12  -10 0  o 123.497 2.6472  2045.22   87.548    2008.70   124.230   2081.26   123.398   122.400 3.7893  124.594 3.6976  -2.194519      5.294410 
1 1 1 12  -10 1  o 319.471 5.9586  13743.32  509.860   13621.80  721.583   13864.48  720.520   318.052 8.4703  320.891 8.3830  -2.838623      11.91726 
1 1 1 12  -10 2  o 92.006  2.1849  1134.94   53.818    1098.48   76.285    1171.08   75.938    90.533  3.1459  93.479  3.0329  -2.946114      4.369784 
1 1 1 12  -10 3  o 220.237 4.2848  6522.87   252.220   6029.77   356.591   7016.53   356.796   211.874 6.2835  228.601 5.8271  -16.72717      8.569597 
1 1 1 12  -10 4  o 380.954 7.0889  19590.03  723.069   18962.05  1022.07   20219.23  1023.07   374.795 10.181  387.113 9.8669  -12.31781      14.17788 
1 1 1 12  -10 5  o 311.890 5.7349  13095.97  479.075   13199.04  677.327   12992.78  677.703   313.125 8.0759  310.655 8.1446  2.469940       11.46977 
1 1 1 12  -10 6  f 262.868 4.9412  9292.46   347.877   9422.55   491.943   9162.34   492.001   264.716 6.9382  261.020 7.0373  3.695862       9.882382 
1 1 1 12  -10 7  o 387.764 7.2692  20328.62  754.995   20386.37  1068.14   20270.96  1067.31   388.318 10.270  387.210 10.291  1.108368       14.53845 
1 1 1 12  -10 8  o 187.050 3.6501  4698.13   182.867   4679.32   259.438   4716.70   257.797   186.676 5.1887  187.425 5.1353  -0.7492218     7.300213 
1 1 1 12  -10 9  o 48.146  1.6453  310.259   21.195    318.080   30.825    303.246   29.190    48.720  2.3622  47.571  2.2909  1.148746       3.290565 
1 1 1 12  -10 10 o 132.675 3.8264  2363.96   135.827   2524.06   194.865   2212.66   189.428   137.050 5.3084  128.300 5.5123  8.749603       7.652738 
1 1 1 12  -10 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -10 12 o 99.142  2.2957  1318.16   60.952    1334.82   87.131    1302.20   85.297    99.754  3.2610  98.529  3.2321  1.224907       4.591347 
1 1 1 12  -10 13 o 38.453  1.7243  198.643   17.541    231.988   25.478    168.598   24.185    41.538  2.2990  35.368  2.5705  6.169994       3.448599 
1 1 1 12  -10 14 o 93.020  2.2461  1160.91   55.954    1190.14   79.497    1132.21   78.770    94.182  3.1513  91.859  3.2015  2.323456       4.492239 
1 1 1 12  -10 15 o 266.803 5.0837  9633.93   363.236   9840.26   513.799   9427.78   513.587   269.688 7.1128  263.918 7.2653  5.770782       10.16747 
1 1 1 12  -10 16 o 59.671  1.9044  477.702   30.431    486.989   42.942    468.333   43.130    60.255  2.6607  59.088  2.7252  1.167679       3.808706 
1 1 1 12  -10 17 o 45.797  1.8499  282.262   22.596    283.431   31.790    281.068   32.123    45.895  2.5967  45.699  2.6356  0.1958542      3.699901 
1 1 1 12  -10 18 o 76.423  2.0975  783.696   42.931    770.112   60.141    797.808   61.302    75.748  2.9642  77.098  2.9685  -1.349815      4.195090 
1 1 1 12  -10 19 o 14.520  2.3700  27.154    9.4317    47.742    14.829    13.165    12.223    18.613  3.0823  10.427  3.6011  8.186035       4.740067 
1 1 1 12  -10 20 o 73.154  2.0554  717.894   40.239    728.919   58.321    707.878   55.589    73.687  2.9549  72.621  2.8578  1.065742       4.110796 
1 1 1 12  -10 21 o 88.500  2.2435  1050.62   53.145    1088.17   76.934    1016.34   73.500    90.009  3.1911  86.990  3.1545  3.018890       4.487082 
1 1 1 12  -10 22 o 155.212 3.2081  3247.50   133.328   3216.75   190.421   3277.07   186.742   154.477 4.6022  155.947 4.4707  -1.470215      6.416163 
1 1 1 12  -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -10 24 o 31.080  2.0826  131.131   16.943    129.821   25.831    132.120   22.445    30.913  3.1643  31.247  2.7086  -0.3338203     4.165284 
1 1 1 12  -10 25 o 76.817  2.1257  790.619   43.649    846.964   64.222    742.245   59.506    79.349  3.0217  74.285  2.9907  5.063774       4.251484 
1 1 1 12  -10 26 o 74.130  2.1181  736.843   41.956    785.078   62.010    696.119   56.977    76.353  3.0321  71.907  2.9583  4.446381       4.236173 
1 1 1 12  -10 27 o 12.644  2.8543  18.605    11.090    31.966    17.876    10.245    14.141    15.136  4.2401  10.153  3.8224  4.983579       5.708698 
1 1 1 12  -10 28 o 28.986  2.2172  117.081   16.375    104.489   25.714    125.673   21.238    27.548  3.5687  30.423  2.6322  -2.875563      4.434461 
1 1 1 12  -10 29 f 48.436  2.0043  318.167   25.622    318.510   39.119    317.909   33.907    48.415  3.0319  48.457  2.6222  -0.4211044E-01 4.008560 
1 1 1 12  -10 30 o 28.906  2.1817  115.454   16.215    111.031   25.572    118.428   20.970    28.351  3.4379  29.462  2.6869  -1.111275      4.363317 
1 1 1 12  -10 31 o 33.210  2.1115  150.620   18.265    154.548   28.708    147.949   23.674    33.507  3.2392  32.912  2.7096  0.5943527      4.223066 
1 1 1 12  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -10 33 o 16.898  2.9018  41.560    12.757    39.529    20.717    42.801    16.190    16.496  4.5439  17.301  3.6105  -0.8045368     5.803662 
1 1 1 12  -10 34 o 54.334  2.1440  407.257   30.636    404.790   47.336    409.034   40.188    54.059  3.2847  54.610  2.7564  -0.5504112     4.287973 
1 1 1 12  -10 35 o 9.9666  2.6664  8.6242    11.016    -14.4822  19.724    19.100    13.281    8.2018  3.7962  11.731  3.7452  -3.529589      5.332747 
1 1 1 12  -10 36 o 9.9474  2.8361  6.5915    11.090    13.067    19.236    3.3676    13.573    11.310  4.4067  8.5854  3.5715  2.724182       5.672263 
1 1 1 12  -10 37 o 19.502  2.9433  49.118    14.772    93.929    25.958    27.656    17.964    25.289  3.9623  13.715  4.3534  11.57380       5.886595 
1 1 1 12  -10 38 o 33.103  2.5050  157.693   21.028    164.467   34.947    153.849   26.327    33.317  3.9957  32.889  3.0223  0.4279747      5.010044 
1 1 1 12  -10 39 o 14.851  3.0084  37.468    14.484    6.6984    25.519    52.090    17.592    11.117  4.7725  18.585  3.6642  -7.468242      6.016870 
1 1 1 12  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -10 41 o 21.877  3.2784  93.232    18.960    41.334    32.332    120.433   23.407    15.235  5.7697  28.520  3.1148  -13.28452      6.556818 
1 1 1 12  -10 42 o 8.2668  2.7029  -5.0783   11.691    -5.2403   25.101    -5.0334   13.212    9.5191  4.3609  7.0145  3.1945  2.504660       5.405750 
1 1 1 12  -10 43 o 12.825  3.5346  24.030    15.712    38.278    31.063    19.132    18.213    14.339  5.5963  11.310  4.3191  3.028625       7.069146 
1 1 1 12  -10 44 o 10.423  3.0370  13.310    14.615    -12.4376  28.606    22.406    17.002    9.2241  4.3650  11.621  4.2237  -2.396808      6.073990 
1 1 1 12  -10 45 o 9.7624  3.1165  2.7130    14.665    25.367    30.043    -4.3736   16.803    11.884  5.1404  7.6406  3.5250  4.243501       6.232925 
1 1 1 12  -9  0  o 152.786 3.1300  3130.28   128.080   3102.25   181.572   3158.04   180.697   152.103 4.4568  153.468 4.3959  -1.364258      6.259922 
1 1 1 12  -9  1  o 149.537 3.0424  2998.02   121.858   3013.42   172.784   2982.77   171.887   149.919 4.3029  149.154 4.3025  0.7643280      6.084892 
1 1 1 12  -9  2  f 166.686 3.2980  3726.02   147.237   3692.41   208.522   3759.44   207.928   165.935 4.6916  167.437 4.6363  -1.501923      6.595973 
1 1 1 12  -9  3  o 86.870  2.0723  1011.31   48.204    980.854   68.063    1041.97   68.279    85.557  2.9701  88.183  2.8908  -2.626297      4.144611 
1 1 1 12  -9  4  o 139.984 2.8745  2628.20   107.679   2491.76   151.938   2765.88   152.626   136.329 4.1609  143.639 3.9670  -7.310165      5.748958 
1 1 1 12  -9  5  o 175.165 3.4563  4115.66   162.160   4140.43   229.154   4090.81   229.504   175.694 4.8695  174.636 4.9065  1.058075       6.912685 
1 1 1 12  -9  6  o 179.222 3.5148  4311.00   168.628   4148.89   238.734   4472.42   238.219   175.852 5.0685  182.592 4.8709  -6.740311      7.029570 
1 1 1 12  -9  7  o 252.351 4.7945  8558.57   324.053   8487.19   459.182   8629.40   457.384   251.297 6.8219  253.405 6.7387  -2.107422      9.589012 
1 1 1 12  -9  8  o 426.780 7.8816  24647.82  900.918   24383.31  1274.90   24911.66  1273.29   424.467 11.214  429.094 11.079  -4.627594      15.76320 
1 1 1 12  -9  9  o 187.566 3.6417  4723.51   182.948   4706.07   259.689   4740.69   257.776   187.220 5.1786  187.913 5.1215  -0.6923981     7.283370 
1 1 1 12  -9  10 o 172.100 3.4012  3976.10   156.770   4048.28   222.721   3905.23   220.706   173.650 4.7885  170.550 4.8314  3.099503       6.802337 
1 1 1 12  -9  11 o 100.907 3.2726  1374.70   87.904    1264.55   126.585   1477.29   122.163   96.907  4.8926  104.907 4.3476  -7.999588      6.545183 
1 1 1 12  -9  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -9  13 o 146.370 3.0224  2877.69   118.473   2941.73   167.647   2813.80   167.444   148.001 4.2290  144.738 4.3191  3.262558       6.044817 
1 1 1 12  -9  14 o 185.690 3.7303  4641.92   185.449   4799.10   262.077   4484.29   262.454   188.855 5.1810  182.524 5.3684  6.330887       7.460690 
1 1 1 12  -9  15 o 111.502 2.5323  1669.20   75.626    1672.23   106.497   1666.12   107.413   111.605 3.5626  111.398 3.5999  0.2068634      5.064671 
1 1 1 12  -9  16 o 24.486  2.3560  79.854    14.093    76.198    17.001    87.887    25.198    23.678  2.7307  25.294  3.8400  -1.616016      4.711936 
1 1 1 12  -9  17 o 166.328 3.3539  3723.62   149.411   3749.20   212.639   3698.68   209.986   166.890 4.7569  165.766 4.7294  1.123306       6.707833 
1 1 1 12  -9  18 o 75.918  2.0462  774.459   41.540    751.975   59.962    795.209   57.603    74.852  2.9908  76.984  2.7935  -2.132301      4.092477 
1 1 1 12  -9  19 o 93.102  2.2695  1163.62   56.566    1173.10   81.452    1154.78   78.615    93.466  3.2536  92.739  3.1648  0.7260818      4.538949 
1 1 1 12  -9  20 o 126.129 2.7346  2137.54   92.349    2217.93   132.527   2061.67   128.756   128.435 3.8524  123.824 3.8822  4.610825       5.469220 
1 1 1 12  -9  21 f 166.546 3.3889  3738.62   151.153   3739.19   215.714   3738.08   211.862   166.549 4.8356  166.544 4.7494  0.5615234E-02  6.777855 
1 1 1 12  -9  22 o 145.751 3.0483  2859.89   118.978   2913.54   170.362   2808.81   166.235   147.083 4.3244  144.420 4.2974  2.662720       6.096548 
1 1 1 12  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -9  24 o 208.752 4.1261  5914.06   230.680   5906.92   328.699   5920.98   323.817   208.605 5.8828  208.898 5.7873  -0.2930603     8.252275 
1 1 1 12  -9  25 o 56.012  2.0774  431.595   30.398    357.238   45.094    493.523   41.153    51.411  3.2920  60.612  2.5349  -9.201050      4.154897 
1 1 1 12  -9  26 o 87.794  2.2709  1035.60   53.317    1093.00   78.103    985.517   72.962    90.061  3.2378  85.527  3.1850  4.534081       4.541705 
1 1 1 12  -9  27 o 18.906  2.7453  54.449    13.309    30.107    20.667    71.697    17.397    14.925  4.6603  22.888  2.9031  -7.962513      5.490551 
1 1 1 12  -9  28 o 120.987 2.7305  1984.46   88.409    2057.22   128.332   1918.74   121.969   123.081 3.8927  118.892 3.8301  4.188408       5.461034 
1 1 1 12  -9  29 o 23.689  2.2732  74.980    13.817    92.303    22.077    63.826    17.715    25.897  3.2547  21.481  3.1745  4.415594       4.546486 
1 1 1 12  -9  30 o 16.987  2.6704  45.605    12.264    18.603    19.588    63.013    15.728    12.584  4.5397  21.390  2.8134  -8.805193      5.340849 
1 1 1 12  -9  31 o 37.696  2.0444  192.476   20.233    205.316   31.547    183.503   26.372    38.713  3.0676  36.680  2.7033  2.032764       4.088743 
1 1 1 12  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -9  33 o 21.049  2.5615  60.903    13.536    70.879    22.484    55.231    16.952    22.301  3.9065  19.797  3.3142  2.504131       5.122952 
1 1 1 12  -9  34 o 40.302  2.1231  217.247   22.368    265.947   35.833    186.152   28.632    43.878  3.0682  36.725  2.9353  7.153149       4.246117 
1 1 1 12  -9  35 o 21.023  2.7358  63.665    14.240    64.257    23.947    63.341    17.711    20.883  4.4189  21.163  3.2266  -0.2794762     5.471552 
1 1 1 12  -9  36 o 41.973  2.1904  243.822   23.929    258.618   38.384    234.415   30.604    42.846  3.3719  41.100  2.7967  1.746433       4.380774 
1 1 1 12  -9  37 o 25.229  2.6999  91.451    17.061    98.824    28.426    87.299    21.329    25.772  4.2671  24.687  3.3090  1.085798       5.399782 
1 1 1 12  -9  38 o 45.480  2.3341  293.860   27.605    309.046   44.283    284.208   35.305    46.146  3.6115  44.815  2.9578  1.330143       4.668149 
1 1 1 12  -9  39 o 14.172  3.3206  26.803    14.161    47.378    25.261    17.373    17.101    16.944  5.1274  11.399  4.2208  5.544978       6.641232 
1 1 1 12  -9  40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -9  41 o 9.9115  2.9371  8.4423    12.922    -5.2277   24.755    13.562    15.149    9.5657  4.3626  10.257  3.9338  -0.6915846     5.874274 
1 1 1 12  -9  42 o 14.590  3.4519  37.086    15.494    32.854    28.598    38.844    18.434    13.923  5.3875  15.256  4.3170  -1.333117      6.903746 
1 1 1 12  -9  43 o 11.866  3.3677  13.619    14.582    41.482    29.386    4.5184    16.795    14.780  5.5210  8.9527  3.8580  5.827265       6.735368 
1 1 1 12  -9  44 o 14.530  3.6423  39.697    16.820    46.892    30.856    36.655    20.063    14.913  5.6392  14.148  4.6113  0.7655754      7.284499 
1 1 1 12  -9  45 f 14.014  3.2604  9.0046    15.869    98.550    32.617    -18.7668  18.164    21.252  5.6374  6.7758  3.2771  14.47586       6.520745 
1 1 1 12  -8  0  o 290.402 5.4262  11329.48  422.008   11118.71  597.131   11539.79  596.487   287.695 7.7491  293.109 7.5977  -5.414398      10.85233 
1 1 1 12  -8  1  o 409.157 7.5917  22550.88  831.965   22340.21  1176.85   22761.36  1176.30   407.235 10.789  411.079 10.683  -3.843933      15.18347 
1 1 1 12  -8  2  o 133.912 2.7953  2404.73   100.190   2299.88   141.754   2509.39   141.626   130.992 4.0402  136.833 3.8642  -5.841263      5.590657 
1 1 1 12  -8  3  o 387.661 7.1246  20235.27  739.522   19611.30  1045.49   20860.06  1046.19   381.649 10.227  393.674 9.9217  -12.02512      14.24925 
1 1 1 12  -8  4  o 74.268  1.9433  740.095   38.555    676.156   54.405    804.602   54.646    71.040  2.8592  77.496  2.6326  -6.456871      3.886626 
1 1 1 12  -8  5  o 117.854 2.5278  1861.36   79.792    1885.46   113.303   1837.64   112.388   118.611 3.5664  117.097 3.5833  1.514290       5.055599 
1 1 1 12  -8  6  o 202.320 3.8965  5492.06   211.148   5478.06   299.521   5505.89   297.703   202.062 5.5342  202.579 5.4866  -0.5159302     7.792910 
1 1 1 12  -8  7  o 143.330 2.9209  2754.21   112.130   2769.46   159.478   2739.30   157.689   143.722 4.1427  142.938 4.1187  0.7838135      5.841782 
1 1 1 12  -8  8  o 234.493 4.4223  7384.97   277.755   7456.02   393.818   7314.66   391.798   235.617 6.2402  233.369 6.2680  2.247238       8.844688 
1 1 1 12  -8  9  o 330.602 6.0889  14727.75  539.177   14708.44  763.357   14746.98  761.667   330.382 8.6263  330.822 8.5957  -0.4397583     12.17779 
1 1 1 12  -8  10 o 303.295 5.7418  12397.07  466.437   12503.12  660.302   12291.46  658.983   304.595 8.0934  301.994 8.1468  2.601593       11.48360 
1 1 1 12  -8  11 o 176.754 3.4942  4195.51   165.417   4246.49   234.062   4144.64   233.809   177.830 4.9140  175.679 4.9688  2.150833       6.988340 
1 1 1 12  -8  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -8  13 o 64.918  1.9275  564.914   33.511    552.671   47.046    577.525   47.746    64.204  2.7357  65.633  2.7160  -1.428322      3.854972 
1 1 1 12  -8  14 o 183.033 3.6082  4507.10   176.715   4770.71   251.290   4249.18   248.557   188.348 4.9811  177.719 5.2216  10.62929       7.216391 
1 1 1 12  -8  15 o 67.306  1.9162  608.364   34.487    589.825   49.771    625.486   47.831    66.315  2.8020  68.297  2.6147  -1.981773      3.832465 
1 1 1 12  -8  16 o 235.422 4.5394  7484.92   286.168   7718.70   406.293   7254.77   403.131   239.093 6.3443  231.751 6.4943  7.341721       9.078897 
1 1 1 12  -8  17 o 168.193 3.4237  3811.01   154.121   3675.85   219.345   3942.80   216.601   165.225 4.9564  171.161 4.7246  -5.936615      6.847462 
1 1 1 12  -8  18 o 35.527  1.7768  169.407   16.749    179.251   24.875    161.242   22.654    36.467  2.5630  34.587  2.4615  1.880440       3.553541 
1 1 1 12  -8  19 o 94.101  2.3262  1192.39   58.467    1123.85   84.206    1256.19   81.242    91.471  3.4369  96.731  3.1357  -5.259926      4.652406 
1 1 1 12  -8  20 o 284.156 5.4117  10979.78  411.831   11232.58  584.644   10730.79  580.214   287.436 7.5938  280.876 7.7123  6.559540       10.82341 
1 1 1 12  -8  21 o 152.229 3.1400  3118.38   127.944   3285.99   183.234   2958.90   178.731   156.229 4.3788  148.228 4.5017  8.001694       6.280093 
1 1 1 12  -8  22 o 120.459 2.7431  1959.08   88.176    1808.00   126.613   2101.36   122.869   115.905 4.0784  125.013 3.6694  -9.108406      5.486149 
1 1 1 12  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -8  24 o 41.511  1.9516  228.688   21.334    281.914   32.367    187.802   28.368    45.742  2.6532  37.279  2.8629  8.462437       3.903239 
1 1 1 12  -8  25 o 100.029 2.4310  1346.66   65.053    1364.76   94.640    1330.44   89.567    100.654 3.5104  99.404  3.3640  1.250076       4.862035 
1 1 1 12  -8  26 o 91.043  2.3220  1114.09   56.532    1170.96   82.875    1064.60   77.311    93.204  3.3197  88.882  3.2474  4.321266       4.643951 
1 1 1 12  -8  27 o 90.774  2.3715  1115.98   57.413    1070.94   84.166    1155.17   78.516    89.016  3.5300  92.533  3.1679  -3.516273      4.743075 
1 1 1 12  -8  28 o 72.537  2.1288  707.491   41.227    748.052   61.363    674.120   55.660    74.410  3.0788  70.664  2.9407  3.745598       4.257605 
1 1 1 12  -8  29 o 70.286  2.1579  670.646   40.356    652.467   60.176    685.505   54.404    69.370  3.2386  71.202  2.8527  -1.832542      4.315831 
1 1 1 12  -8  30 o 51.206  2.0634  357.516   27.867    350.938   42.463    362.492   36.934    50.727  3.1407  51.684  2.6771  -0.9576530     4.126851 
1 1 1 12  -8  31 o 29.937  2.1776  118.040   16.777    160.071   26.922    91.352    21.453    34.177  2.9705  25.697  3.1850  8.479988       4.355241 
1 1 1 12  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -8  33 o 50.055  2.1394  346.846   27.983    329.845   43.455    358.891   36.577    48.858  3.3406  51.253  2.6736  -2.394653      4.278823 
1 1 1 12  -8  34 o 47.201  2.1798  309.857   26.803    296.336   41.946    319.187   34.845    46.159  3.4170  48.243  2.7075  -2.084553      4.359647 
1 1 1 12  -8  35 f 35.454  2.2791  175.951   20.795    173.810   33.378    177.309   26.585    35.096  3.6017  35.811  2.7936  -0.7152977     4.558166 
1 1 1 12  -8  36 o 15.041  3.1569  30.518    13.192    45.491    22.832    23.015    16.163    17.331  4.7687  12.750  4.1380  4.580780       6.313797 
1 1 1 12  -8  37 o 15.158  3.0334  37.347    13.768    15.239    24.258    47.853    16.722    12.257  4.8950  18.058  3.5838  -5.800630      6.066712 
1 1 1 12  -8  38 o 22.231  3.2087  84.390    17.630    52.388    29.848    101.539   21.849    17.862  5.6043  26.600  3.1264  -8.737139      6.417320 
1 1 1 12  -8  39 o 27.631  2.7631  113.088   19.042    123.218   32.216    107.650   23.606    28.156  4.4172  27.106  3.3208  1.049896       5.526255 
1 1 1 12  -8  40 o 14.044  3.3074  32.954    14.844    19.081    27.792    38.492    17.559    12.556  5.1559  15.532  4.1439  -2.976468      6.614786 
1 1 1 12  -8  41 o 30.265  2.9613  145.857   21.732    140.421   37.143    148.686   26.798    28.891  4.9795  31.640  3.2064  -2.748240      5.922554 
1 1 1 12  -8  42 o 26.284  3.1596  105.625   20.322    140.959   36.475    89.719    24.473    28.805  4.9034  23.762  3.9863  5.042261       6.319273 
1 1 1 12  -8  43 o 14.175  3.5961  31.329    15.883    53.293    30.442    23.114    18.618    16.356  5.6811  11.994  4.4106  4.362313       7.192283 
1 1 1 12  -8  44 o 15.609  3.4051  50.149    17.199    27.441    31.170    60.089    20.622    12.597  5.3367  18.622  4.2307  -6.025467      6.810187 
1 1 1 12  -7  0  o 118.984 2.5837  1897.39   82.330    1868.59   116.756   1925.88   116.110   118.085 3.6914  119.883 3.6159  -1.798225      5.167363 
1 1 1 12  -7  1  o 415.387 7.6498  23227.68  851.108   23397.06  1203.96   23058.48  1203.33   416.908 10.782  413.866 10.855  3.042023       15.29963 
1 1 1 12  -7  2  o 199.056 3.8218  5313.62   203.754   5247.11   288.194   5380.10   288.109   197.808 5.4394  200.303 5.3701  -2.494354      7.643610 
1 1 1 12  -7  3  o 180.063 3.5006  4346.95   168.831   4379.87   239.224   4314.28   238.303   180.742 4.9415  179.383 4.9597  1.359146       7.001225 
1 1 1 12  -7  4  o 215.945 4.1595  6255.64   240.577   6213.27   341.006   6297.64   339.453   215.215 5.9156  216.676 5.8490  -1.460342      8.318954 
1 1 1 12  -7  5  o 180.251 3.5305  4356.51   170.447   4385.90   241.775   4327.46   240.330   180.855 4.9910  179.646 4.9946  1.209122       7.060903 
1 1 1 12  -7  6  o 157.703 3.1776  3334.49   134.215   3316.82   190.650   3351.85   188.979   157.288 4.5254  158.119 4.4621  -0.8308716     6.355279 
1 1 1 12  -7  7  o 324.078 6.0032  14125.03  521.099   14088.78  737.826   14161.10  736.068   323.659 8.5109  324.496 8.4688  -0.8363037     12.00649 
1 1 1 12  -7  8  o 119.761 2.5545  1922.52   81.935    1919.89   116.662   1925.09   115.101   119.679 3.6393  119.843 3.5857  -0.1635590     5.109033 
1 1 1 12  -7  9  o 46.627  1.6983  292.072   21.065    327.757   30.102    257.825   29.489    49.461  2.2722  43.793  2.5247  5.667625       3.396624 
1 1 1 12  -7  10 o 217.093 4.2164  6335.57   244.992   6083.43   347.604   6584.46   345.348   212.783 6.0990  221.404 5.8235  -8.620865      8.432741 
1 1 1 12  -7  11 o 195.514 3.8539  5138.23   201.680   4942.22   286.176   5331.63   284.271   191.794 5.5707  199.234 5.3270  -7.440063      7.707751 
1 1 1 12  -7  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -7  13 o 139.298 3.6315  2627.29   126.356   2555.51   221.861   2661.75   153.724   137.784 6.0117  140.813 4.0758  -3.029266      7.263051 
1 1 1 12  -7  14 o 129.525 2.7422  2251.99   94.997    2419.38   135.705   2091.13   133.026   134.252 3.7738  124.797 3.9796  9.455261       5.484468 
1 1 1 12  -7  15 o 93.119  2.2377  1162.21   55.767    1229.44   80.160    1099.15   77.634    95.728  3.1263  90.509  3.2023  5.218216       4.475339 
1 1 1 12  -7  16 o 128.180 2.8368  2219.15   96.786    1955.70   137.976   2474.35   135.801   120.624 4.2705  135.736 3.7352  -15.11294      5.673570 
1 1 1 12  -7  17 o 146.850 3.0851  2902.79   121.230   2793.51   172.910   3008.45   170.018   144.113 4.4795  149.587 4.2434  -5.474564      6.170244 
1 1 1 12  -7  18 o 117.756 2.6198  1862.57   82.606    1879.88   118.471   1846.19   115.242   118.285 3.7393  117.228 3.6702  1.057587       5.239563 
1 1 1 12  -7  19 o 130.007 2.7985  2271.28   97.428    2321.17   139.652   2223.98   135.989   131.396 3.9680  128.618 3.9474  2.777542       5.597088 
1 1 1 12  -7  20 o 176.648 3.5660  4207.10   168.689   4178.67   240.582   4234.60   236.593   176.048 5.1020  177.249 4.9834  -1.201660      7.131987 
1 1 1 12  -7  21 o 125.265 2.7641  2108.61   92.704    2167.46   133.356   2053.57   128.961   126.953 3.9218  123.576 3.8961  3.377068       5.528121 
1 1 1 12  -7  22 o 145.993 3.0557  2868.02   119.439   2982.23   171.364   2760.12   166.564   148.822 4.2990  143.165 4.3437  5.657074       6.111342 
1 1 1 12  -7  23 o 63.245  3.7368  540.021   63.022    0.0000    0.0000    540.021   63.022    ?       ?       63.245  3.7368  ?              ?        
1 1 1 12  -7  24 o 90.273  2.2627  1090.42   54.406    1264.56   79.769    938.958   74.396    96.994  3.0705  83.553  3.3243  13.44109       4.525326 
1 1 1 12  -7  25 o 147.504 3.1228  2938.66   123.324   3039.26   177.504   2844.79   171.466   149.941 4.4198  145.067 4.4129  4.874344       6.245615 
1 1 1 12  -7  26 o 10.419  2.8197  9.9575    11.059    4.0435    17.674    13.763    14.177    9.9572  4.1029  10.880  3.8690  -0.9230042     5.639384 
1 1 1 12  -7  27 o 138.649 3.0182  2607.26   112.022   2679.93   161.840   2540.43   155.213   140.487 4.3009  136.810 4.2357  3.677063       6.036435 
1 1 1 12  -7  28 o 65.700  2.0867  579.375   36.565    619.954   54.866    546.951   49.044    67.744  3.0237  63.656  2.8765  4.087406       4.173357 
1 1 1 12  -7  29 o 122.233 2.7565  2030.66   90.065    2216.50   131.520   1866.55   123.591   127.507 3.8509  116.958 3.9452  10.54920       5.513090 
1 1 1 12  -7  30 o 70.180  2.2113  672.218   41.201    645.689   61.798    693.446   55.279    68.852  3.3509  71.508  2.8862  -2.655464      4.422520 
1 1 1 12  -7  31 o 50.694  2.0997  351.245   27.994    348.648   43.194    353.125   36.759    50.449  3.2132  50.939  2.7039  -0.4895439     4.199474 
1 1 1 12  -7  32 o 49.470  2.5966  331.951   30.588    354.898   58.625    323.368   35.855    50.275  4.3978  48.666  2.7620  1.609108       5.193202 
1 1 1 12  -7  33 o 19.545  2.8737  59.993    13.959    38.872    23.576    71.394    17.322    16.414  4.9504  22.676  2.9198  -6.261662      5.747332 
1 1 1 12  -7  34 o 45.288  2.3311  296.057   26.701    235.468   41.748    337.996   34.734    40.897  3.8567  49.678  2.6196  -8.781109      4.662209 
1 1 1 12  -7  35 o 28.299  2.5109  115.097   17.761    106.925   28.996    120.004   22.469    27.218  4.1049  29.379  2.8929  -2.160738      5.021829 
1 1 1 12  -7  36 o 8.9756  2.6910  2.0280    10.425    5.5341    18.887    0.4917    12.502    10.123  4.2122  7.8284  3.3501  2.294381       5.381954 
1 1 1 12  -7  37 o 24.039  2.9058  83.045    17.181    95.193    29.899    77.055    20.993    25.025  4.6312  23.052  3.5109  1.972864       5.811592 
1 1 1 12  -7  38 o 9.1695  2.8307  -2.4612   11.504    10.983    22.956    -6.9703   13.294    11.347  4.6757  6.9925  3.1922  4.354001       5.661494 
1 1 1 12  -7  39 o 28.637  7.7887  166.949   61.324    166.949   61.324    0.0000    0.0000    28.637  7.7887  ?       ?       ?              ?        
1 1 1 12  -7  40 o 23.545  3.3311  97.612    18.863    70.751    33.110    110.519   22.951    19.704  5.8496  27.386  3.1886  -7.682190      6.662215 
1 1 1 12  -7  41 o 15.021  3.5022  36.424    15.268    45.038    28.403    32.924    18.107    15.861  5.4888  14.181  4.3513  1.679366       7.004357 
1 1 1 12  -7  42 f 8.8626  2.8620  -4.4073   12.174    6.7747    26.620    -7.3647   13.690    10.828  4.7582  6.8969  3.1818  3.931403       5.724060 
1 1 1 12  -7  43 o 10.607  3.1520  0.1608    13.666    37.994    28.174    -11.4789  15.627    14.263  5.3897  6.9499  3.2697  7.313497       6.303974 
1 1 1 12  -7  44 o 19.414  3.7659  69.210    18.520    93.557    35.712    60.253    21.660    20.498  6.0727  18.329  4.4555  2.169510       7.531888 
1 1 1 12  -6  0  o 372.634 6.9281  18668.30  691.490   18624.71  978.253   18711.83  977.578   372.197 9.8127  373.071 9.7830  -0.8738098     13.85625 
1 1 1 12  -6  1  o 293.405 5.4915  11557.81  431.528   11375.21  610.083   11740.64  610.464   291.081 7.8250  295.730 7.7068  -4.649445      10.98300 
1 1 1 12  -6  2  o 145.849 3.0003  2852.08   117.155   2767.80   166.212   2935.29   165.157   143.705 4.3182  147.993 4.1664  -4.287994      6.000500 
1 1 1 12  -6  3  o 88.825  2.1730  1057.18   51.679    1053.31   74.082    1060.84   72.127    88.667  3.1193  88.984  3.0262  -0.3173447     4.346037 
1 1 1 12  -6  4  o 314.693 5.9575  13304.54  502.117   13121.49  710.457   13487.23  709.746   312.523 8.4873  316.863 8.3626  -4.340057      11.91499 
1 1 1 12  -6  5  o 109.469 2.3687  1605.44   69.446    1636.54   98.880    1575.18   97.557    110.515 3.3404  108.423 3.3593  2.091835       4.737406 
1 1 1 12  -6  6  o 168.842 3.4080  3822.24   154.120   3817.25   218.675   3827.18   217.250   168.731 4.8385  168.952 4.8007  -0.2208252     6.816046 
1 1 1 12  -6  7  o 102.081 2.3217  1402.51   63.203    1287.00   90.986    1510.22   87.861    97.998  3.4663  106.164 3.0898  -8.166153      4.643498 
1 1 1 12  -6  8  o 129.008 2.7164  2230.01   93.809    2338.23   134.051   2126.15   131.323   132.076 3.7893  125.940 3.8930  6.135300       5.432725 
1 1 1 12  -6  9  o 168.164 3.3478  3798.22   150.306   4182.03   213.842   3423.44   211.311   176.583 4.5212  159.744 4.9386  16.83859       6.695635 
1 1 1 12  -6  10 o 37.636  2.3705  165.987   21.843    295.865   39.737    109.752   26.148    46.874  3.1839  28.397  3.5127  18.47738       4.740925 
1 1 1 12  -6  11 o 31.307  1.6716  131.850   13.718    162.169   20.041    105.116   18.818    34.723  2.1656  27.891  2.5471  6.831635       3.343295 
1 1 1 12  -6  12 o 227.091 8.8095  6969.89   535.846   6969.89   535.846   0.0000    0.0000    227.091 8.8095  ?       ?       ?              ?        
1 1 1 12  -6  13 o 91.043  2.2523  1116.59   54.666    1010.97   78.295    1217.06   76.360    86.815  3.3671  95.270  2.9924  -8.454796      4.504624 
1 1 1 12  -6  14 o 146.731 3.0382  2891.12   119.382   2974.50   170.198   2810.37   167.498   148.815 4.2699  144.646 4.3233  4.169373       6.076420 
1 1 1 12  -6  15 o 121.081 2.6429  1967.34   85.687    2034.79   122.636   1903.00   119.775   123.109 3.7191  119.053 3.7561  4.056427       5.285838 
1 1 1 12  -6  16 o 63.527  1.9449  544.451   32.899    493.818   47.561    590.904   45.555    60.672  2.9267  66.382  2.5621  -5.709732      3.889706 
1 1 1 12  -6  17 o 136.551 2.9605  2513.57   107.956   2323.12   154.142   2696.94   151.246   131.436 4.3784  141.667 3.9859  -10.23032      5.920975 
1 1 1 12  -6  18 o 110.584 2.5484  1646.10   75.323    1561.05   108.128   1726.28   104.987   107.790 3.7452  113.378 3.4571  -5.588074      5.096867 
1 1 1 12  -6  19 o 250.149 4.8394  8475.77   324.240   8518.93   460.650   8433.39   456.469   250.774 6.8580  249.524 6.8298  1.250488       9.678806 
1 1 1 12  -6  20 o 82.645  2.1691  913.516   47.625    1086.38   69.657    761.784   65.260    89.970  2.8905  75.319  3.2348  14.65090       4.338130 
1 1 1 12  -6  21 o 59.333  1.9939  469.589   31.483    537.405   46.641    412.829   42.670    63.282  2.7517  55.384  2.8864  7.898033       3.987853 
1 1 1 12  -6  22 o 62.948  4.3572  536.118   73.013    536.118   73.013    0.0000    0.0000    62.948  4.3572  ?       ?       ?              ?        
1 1 1 12  -6  23 o 93.292  2.3098  1164.36   57.460    1330.67   84.157    1019.14   78.643    99.514  3.1573  87.070  3.3721  12.44464       4.619521 
1 1 1 12  -6  24 o 143.615 3.0827  2783.19   118.515   2779.73   170.451   2786.43   164.897   143.510 4.4343  143.720 4.2836  -0.2100525     6.165408 
1 1 1 12  -6  25 o 157.461 3.2935  3353.91   138.855   3445.50   199.595   3268.02   193.298   159.538 4.6709  155.384 4.6444  4.153885       6.586936 
1 1 1 12  -6  26 o 55.137  2.0756  409.162   30.352    421.504   45.830    399.519   40.508    55.855  3.0752  54.418  2.7885  1.437489       4.151223 
1 1 1 12  -6  27 o 71.982  2.2306  708.097   42.381    632.624   62.890    770.888   57.363    68.330  3.4473  75.634  2.8315  -7.303894      4.461112 
1 1 1 12  -6  28 o 37.808  2.0455  192.359   20.322    205.397   31.597    183.161   26.539    38.866  3.0599  36.750  2.7154  2.115864       4.091018 
1 1 1 12  -6  29 o 24.712  2.4512  87.327    15.075    72.769    23.742    97.161    19.514    22.757  4.0432  26.667  2.7725  -3.909494      4.902498 
1 1 1 12  -6  30 o 71.973  2.2031  702.098   42.237    724.299   63.544    684.525   56.534    72.940  3.2525  71.005  2.9726  1.935822       4.406247 
1 1 1 12  -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -6  32 o 40.600  2.1197  218.846   22.486    269.434   36.113    186.813   28.737    44.304  3.0620  36.895  2.9321  7.409271       4.239443 
1 1 1 12  -6  33 o 21.518  2.8037  69.011    14.777    56.695    24.543    76.014    18.507    19.661  4.7202  23.375  3.0271  -3.714222      5.607478 
1 1 1 12  -6  34 o 51.960  2.1636  366.071   29.534    411.859   46.849    335.873   38.047    54.531  3.2218  49.390  2.8886  5.140842       4.327144 
1 1 1 12  -6  35 o 23.881  2.5998  76.141    15.545    106.621   26.440    60.041    19.217    27.337  3.7065  20.424  3.6466  6.913370       5.199663 
1 1 1 12  -6  36 o 17.578  3.1793  46.745    14.523    45.176    25.025    47.543    17.834    17.179  5.0821  17.977  3.8215  -0.7978115     6.358562 
1 1 1 12  -6  37 o 36.510  2.5195  191.202   23.203    194.620   39.008    189.331   28.865    36.376  4.0735  36.644  2.9663  -0.2681198     5.039092 
1 1 1 12  -6  38 o 24.237  3.0260  88.496    17.668    92.877    31.452    86.477    21.355    24.121  5.0310  24.352  3.3638  -0.2314625     6.051961 
1 1 1 12  -6  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -6  40 o 20.773  3.3232  63.267    17.019    97.197    31.395    49.146    20.253    24.111  5.0243  17.434  4.3510  6.676956       6.646422 
1 1 1 12  -6  41 o 30.815  2.8776  141.920   21.747    171.064   39.083    128.851   26.172    32.358  4.6424  29.272  3.4015  3.085236       5.755189 
1 1 1 12  -6  42 o 14.321  3.4159  36.992    16.148    19.254    31.238    43.461    18.863    12.487  5.3183  16.154  4.2881  -3.666558      6.831755 
1 1 1 12  -6  43 o 9.4108  2.9056  6.1148    12.798    -8.9549   27.943    10.115    14.396    9.4894  4.4347  9.3322  3.7553  0.1572895      5.811125 
1 1 1 12  -6  44 f 21.058  3.8015  76.293    19.852    132.062   38.626    56.274    23.142    25.014  5.8667  17.102  4.8362  7.911709       7.603061 
1 1 1 12  -5  0  o 199.596 4.6161  5292.94   233.481   5189.91   285.659   5500.29   405.238   196.748 5.4206  202.444 7.4734  -5.696548      9.232253 
1 1 1 12  -5  1  o 51.152  2.4421  350.491   33.460    350.491   33.460    0.0000    0.0000    51.152  2.4421  ?       ?       ?              ?        
1 1 1 12  -5  2  o 75.914  4.0269  774.445   81.588    774.445   81.588    0.0000    0.0000    75.914  4.0269  ?       ?       ?              ?        
1 1 1 12  -5  3  o 118.399 3.7137  1878.44   117.774   1878.44   117.774   0.0000    0.0000    118.399 3.7137  ?       ?       ?              ?        
1 1 1 12  -5  4  o 298.335 5.5540  11950.57  443.799   11891.85  629.187   12008.71  626.077   297.602 7.8932  299.068 7.8157  -1.466187      11.10805 
1 1 1 12  -5  5  o 294.609 5.5289  11656.46  436.232   11494.52  618.743   11816.51  615.122   292.566 7.8958  296.651 7.7415  -4.085022      11.05781 
1 1 1 12  -5  6  o 186.975 3.6538  4688.00   182.972   4669.95   260.098   4705.68   257.445   186.617 5.2035  187.332 5.1308  -0.7158203     7.307623 
1 1 1 12  -5  7  o 131.730 2.7734  2325.56   97.848    2363.14   139.148   2288.80   137.620   132.783 3.9124  130.677 3.9318  2.105667       5.546716 
1 1 1 12  -5  8  o 218.011 4.2137  6380.25   245.980   6214.95   348.426   6544.50   347.315   215.189 6.0451  220.834 5.8718  -5.645050      8.427364 
1 1 1 12  -5  9  o 354.164 6.6112  16900.61  627.076   17224.20  888.005   16578.74  885.639   357.563 9.2720  350.765 9.4265  6.798431       13.22232 
1 1 1 12  -5  10 o 98.570  2.3137  1305.76   60.577    1524.19   86.757    1097.95   84.622    106.641 3.0373  90.499  3.4910  16.14209       4.627338 
1 1 1 12  -5  11 o 134.950 2.8501  2442.74   103.012   2451.03   146.712   2434.68   144.671   135.175 4.0521  134.726 4.0091  0.4491272      5.700187 
1 1 1 12  -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -5  13 o 142.585 2.9930  2729.52   114.293   2726.81   162.891   2732.15   160.405   142.512 4.2673  142.657 4.1979  -0.1453552     5.986064 
1 1 1 12  -5  14 o 98.915  2.3672  1316.58   62.528    1223.36   89.593    1405.10   87.307    95.482  3.5032  102.347 3.1848  -6.864349      4.734478 
1 1 1 12  -5  15 o 128.814 2.8209  2234.50   97.052    2069.70   138.551   2393.25   135.988   124.122 4.1675  133.506 3.8029  -9.384354      5.641771 
1 1 1 12  -5  16 o 56.054  1.8749  422.807   28.023    406.762   40.665    437.318   38.672    55.000  2.7692  57.108  2.5282  -2.107471      3.749730 
1 1 1 12  -5  17 o 152.448 3.2114  3131.52   130.898   2954.71   186.709   3302.42   183.567   148.185 4.7041  156.712 4.3733  -8.526855      6.422887 
1 1 1 12  -5  18 o 23.165  2.2267  78.885    12.330    46.448    18.202    106.390   16.761    18.251  3.8447  28.079  2.2474  -9.827927      4.453357 
1 1 1 12  -5  19 o 150.638 3.1471  3053.20   126.951   3069.88   181.652   3037.28   177.492   151.033 4.4903  150.242 4.4106  0.7910309      6.294161 
1 1 1 12  -5  20 o 119.034 2.6709  1902.10   85.101    1996.73   122.678   1814.33   118.150   121.887 3.7577  116.182 3.7967  5.704720       5.341847 
1 1 1 12  -5  21 o 104.671 2.5140  1475.50   70.310    1409.90   101.553   1535.89   97.442    102.416 3.7020  106.925 3.4023  -4.508736      5.027965 
1 1 1 12  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -5  23 o 70.496  2.1204  668.924   39.873    651.807   58.696    683.592   54.333    69.646  3.1465  71.346  2.8431  -1.699921      4.240726 
1 1 1 12  -5  24 o 87.888  2.2916  1036.32   53.856    1083.20   79.008    995.624   73.607    89.735  3.2872  86.041  3.1939  3.693443       4.583282 
1 1 1 12  -5  25 o 50.595  2.0109  343.221   26.984    364.183   40.850    326.994   35.941    51.948  2.9480  49.243  2.7357  2.705563       4.021801 
1 1 1 12  -5  26 o 68.384  2.1109  622.635   38.423    725.766   57.757    540.758   51.463    73.412  2.9373  63.356  3.0326  10.05551       4.221896 
1 1 1 12  -5  27 o 7.0586  2.1828  -4.9253   7.3286    4.0062    13.378    -8.7552   8.7601    8.8211  3.5945  5.2960  2.4776  3.525049       4.365636 
1 1 1 12  -5  28 o 60.638  2.1070  498.960   33.856    487.023   50.990    508.371   45.276    59.906  3.1893  61.370  2.7544  -1.464245      4.214054 
1 1 1 12  -5  29 o 35.354  2.0948  171.503   19.237    165.040   30.093    175.969   25.015    34.712  3.2754  35.995  2.6125  -1.282185      4.189647 
1 1 1 12  -5  30 o 61.215  2.1356  509.300   34.645    514.842   52.663    505.072   46.000    61.410  3.2129  61.020  2.8145  0.3898048      4.271272 
1 1 1 12  -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -5  32 o 12.869  2.6711  14.983    10.701    44.662    18.878    0.9328    12.989    17.605  4.0827  8.1337  3.4454  9.471053       5.342221 
1 1 1 12  -5  33 o 21.217  2.7333  62.319    14.487    72.400    24.340    56.789    18.029    22.420  4.2076  20.014  3.4900  2.405861       5.466646 
1 1 1 12  -5  34 o 22.621  2.8012  74.942    15.526    68.904    26.106    78.246    19.312    21.612  4.6479  23.631  3.1280  -2.018839      5.602478 
1 1 1 12  -5  35 o 50.555  2.3015  359.375   30.220    346.112   47.768    368.226   39.021    49.517  3.6268  51.593  2.8346  -2.076000      4.603101 
1 1 1 12  -5  36 o 14.662  3.2291  29.319    13.242    40.827    23.892    24.216    15.909    16.374  4.9937  12.950  4.0954  3.424386       6.458284 
1 1 1 12  -5  37 o 11.244  3.0827  14.435    12.704    9.0281    23.530    16.660    15.093    11.286  4.6994  11.202  3.9911  0.8470726E-01  6.165427 
1 1 1 12  -5  38 o 11.707  2.8837  17.279    13.517    -16.9865  24.236    32.751    16.286    8.8175  4.1238  14.597  4.0319  -5.779709      5.767324 
1 1 1 12  -5  39 o 23.583  3.2944  90.817    18.714    83.696    33.165    94.143    22.668    21.992  5.6117  25.174  3.4527  -3.182198      6.588781 
1 1 1 12  -5  40 o 14.916  3.4010  25.366    15.109    68.278    29.449    10.036    17.602    19.724  5.4111  10.107  4.1213  9.617269       6.801907 
1 1 1 12  -5  41 o 8.0030  2.6503  -8.0622   11.973    -15.8808  25.853    -5.9271   13.510    8.9649  4.2138  7.0411  3.2157  1.923874       5.300657 
1 1 1 12  -5  42 o 21.530  3.7137  82.947    19.761    85.447    37.641    81.995    23.218    20.418  6.2752  22.641  3.9736  -2.222775      7.427494 
1 1 1 12  -5  43 o 8.6015  2.8583  -7.4417   13.800    -2.8948   29.341    -8.7331   15.637    10.042  4.6416  7.1612  3.3369  2.880537       5.716571 
1 1 1 12  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -4  4  o 159.301 3.9388  3474.85   158.003   3628.13   195.322   3184.66   268.759   164.528 4.4322  154.075 6.5124  10.45329       7.877577 
1 1 1 12  -4  5  o 314.243 5.8788  13263.87  494.814   13354.27  700.461   13173.82  699.085   315.315 8.2938  313.172 8.3341  2.142029       11.75769 
1 1 1 12  -4  6  o 113.705 2.5625  1743.61   77.344    1479.64   109.614   2005.34   109.149   105.074 3.8948  122.336 3.3310  -17.26144      5.124918 
1 1 1 12  -4  7  o 136.741 2.8918  2510.34   105.703   2338.06   149.997   2680.29   148.981   132.068 4.2403  141.413 3.9333  -9.344620      5.783648 
1 1 1 12  -4  8  o 252.469 4.8026  8563.73   324.432   9044.01   460.039   8088.53   457.603   259.532 6.6178  245.406 6.9617  14.12567       9.605221 
1 1 1 12  -4  9  o 255.871 4.9412  8811.56   337.888   8143.40   478.305   9477.16   477.387   246.140 7.2549  265.603 6.7104  -19.46263      9.882501 
1 1 1 12  -4  10 o 110.430 2.4783  1635.14   73.116    1793.88   104.547   1483.17   102.292   115.681 3.3741  105.179 3.6310  10.50233       4.956690 
1 1 1 12  -4  11 o 223.237 4.3510  6703.98   259.945   6413.08   368.582   6991.85   366.662   218.396 6.3009  228.079 6.0019  -9.683762      8.701968 
1 1 1 12  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -4  13 o 269.653 5.1837  9816.10   374.183   9465.06   530.364   10164.02  527.995   264.809 7.4774  274.496 7.1813  -9.686523      10.36741 
1 1 1 12  -4  14 o 187.005 3.7873  4716.79   189.123   4320.08   268.657   5106.51   266.278   179.151 5.5987  194.859 5.1018  -15.70834      7.574600 
1 1 1 12  -4  15 o 53.271  1.9005  386.098   26.684    328.422   38.808    437.822   36.751    49.394  2.9467  57.147  2.4010  -7.752666      3.800990 
1 1 1 12  -4  16 o 157.090 3.2433  3318.87   136.440   3306.89   194.742   3330.43   191.216   156.805 4.6367  157.376 4.5363  -0.5712738     6.486670 
1 1 1 12  -4  17 o 124.214 2.7346  2072.65   90.951    2084.23   130.482   2061.70   126.843   124.547 3.9114  123.881 3.8227  0.6659088      5.469174 
1 1 1 12  -4  18 o 71.917  2.0762  696.939   39.812    653.110   57.926    736.178   54.809    69.757  3.1003  74.077  2.7623  -4.320152      4.152373 
1 1 1 12  -4  19 o 179.178 3.6834  4336.99   176.365   4046.44   251.457   4618.30   247.426   173.211 5.4200  185.146 4.9893  -11.93454      7.366807 
1 1 1 12  -4  20 o 46.864  2.0569  301.584   25.164    249.083   37.192    345.914   34.175    42.947  3.2574  50.782  2.5125  -7.835506      4.113826 
1 1 1 12  -4  21 o 101.634 2.4281  1383.58   65.899    1544.30   95.859    1239.56   90.741    107.223 3.3378  96.046  3.5273  11.17669       4.856164 
1 1 1 12  -4  22 o 136.295 5.7632  2512.74   210.393   0.0000    0.0000    2512.74   210.393   ?       ?       136.295 5.7632  ?              ?        
1 1 1 12  -4  23 o 105.888 2.5095  1503.65   71.051    1628.79   103.575   1392.41   97.649    110.042 3.5141  101.735 3.5835  8.306419       5.018971 
1 1 1 12  -4  24 o 150.032 3.1530  3037.04   126.623   3183.52   182.517   2901.11   175.814   153.521 4.4386  146.542 4.4792  6.978928       6.305906 
1 1 1 12  -4  25 o 153.987 3.2345  3207.37   133.295   3394.56   192.251   3034.08   184.973   158.323 4.5335  149.651 4.6147  8.672165       6.468998 
1 1 1 12  -4  26 o 98.503  2.4357  1304.32   64.123    1406.44   94.434    1216.96   87.348    102.062 3.4544  94.943  3.4348  7.119240       4.871422 
1 1 1 12  -4  27 o 89.014  2.3430  1067.74   55.707    1116.99   82.553    1026.56   75.483    90.873  3.3916  87.156  3.2334  3.716904       4.685961 
1 1 1 12  -4  28 o 68.455  2.2162  641.003   40.053    590.738   60.078    681.220   53.738    65.904  3.4151  71.006  2.8255  -5.101746      4.432477 
1 1 1 12  -4  29 o 44.345  2.1663  275.355   24.743    230.055   37.975    308.776   32.618    40.957  3.4950  47.732  2.5606  -6.774712      4.332647 
1 1 1 12  -4  30 o 43.817  2.7178  267.461   30.371    273.549   38.431    257.334   49.566    44.690  3.2324  42.945  4.3700  1.745296       5.435518 
1 1 1 12  -4  31 o 36.102  2.2895  184.928   20.947    156.666   33.121    203.768   27.042    33.546  3.7503  38.657  2.6273  -5.110352      4.579037 
1 1 1 12  -4  32 o 26.906  2.5972  106.255   17.021    85.249    27.613    119.127   21.616    24.370  4.3918  29.443  2.7736  -5.073256      5.194330 
1 1 1 12  -4  33 f 10.991  2.8119  7.6244    10.698    28.795    19.417    -1.6026   12.819    14.302  4.5246  7.6807  3.3400  6.621258       5.623809 
1 1 1 12  -4  34 o 23.948  2.8047  85.878    16.260    71.291    27.123    94.062    20.316    21.918  4.7567  25.979  2.9732  -4.060747      5.609423 
1 1 1 12  -4  35 o 15.461  3.0655  37.337    13.479    22.873    23.271    44.640    16.536    13.407  4.9310  17.516  3.6433  -4.109077      6.130919 
1 1 1 12  -4  36 o 24.504  3.0039  91.219    17.792    82.468    30.477    95.743    21.913    23.079  5.0690  25.930  3.2248  -2.851118      6.007822 
1 1 1 12  -4  37 o 33.229  2.5904  157.309   21.757    174.042   36.873    148.371   26.949    34.231  4.1033  32.227  3.1627  2.003811       5.180739 
1 1 1 12  -4  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -4  39 o 12.541  3.2699  15.567    13.501    42.063    26.342    6.1277    15.723    15.829  5.2895  9.2518  3.8459  6.577507       6.539895 
1 1 1 12  -4  40 o 8.8670  2.5994  -4.8640   13.217    -65.2345  25.180    18.095    15.528    6.5070  3.2683  11.227  4.0431  -4.720109      5.198870 
1 1 1 12  -4  41 f 11.696  3.3520  15.218    14.714    26.046    28.664    11.344    17.145    13.240  5.3091  10.153  4.0937  3.087206       6.704096 
1 1 1 12  -4  42 o 22.963  3.6069  86.192    20.063    116.726   37.558    74.000    23.733    24.844  5.7567  21.082  4.3472  3.762157       7.213742 
1 1 1 12  -4  43 o 18.788  3.4743  75.557    19.317    41.360    35.723    89.689    22.964    14.123  5.8278  23.454  3.7843  -9.331398      6.948678 
1 1 1 12  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -3  4  f 167.572 3.3560  3764.28   150.621   3730.18   213.528   3798.06   212.497   166.816 4.7789  168.329 4.7131  -1.512970      6.712009 
1 1 1 12  -3  5  o 285.720 5.3835  10959.97  411.991   11043.31  583.393   10877.05  581.896   286.806 7.5943  284.635 7.6325  2.170654       10.76699 
1 1 1 12  -3  6  o 108.374 2.5217  1588.10   72.319    1313.08   102.737   1858.23   101.820   98.984  3.8750  117.765 3.2280  -18.78085      5.043348 
1 1 1 12  -3  7  o 375.759 7.0293  19014.04  707.084   18299.86  1000.37   19727.08  999.570   368.668 10.131  382.850 9.7475  -14.18216      14.05857 
1 1 1 12  -3  8  o 49.172  1.7776  326.826   23.176    289.166   33.406    361.772   32.179    46.378  2.7009  51.966  2.3119  -5.587811      3.555214 
1 1 1 12  -3  9  o 86.036  2.1584  995.429   49.121    1202.29   70.653    801.895   68.339    94.723  2.7847  77.350  3.2985  17.37286       4.316838 
1 1 1 12  -3  10 o 38.524  1.6972  199.006   17.338    227.779   25.251    173.341   23.849    41.167  2.2992  35.880  2.4971  5.286983       3.394396 
1 1 1 12  -3  11 o 169.213 4.8673  3853.45   220.599   3886.66   313.118   3820.72   310.841   169.937 6.8791  168.488 6.8878  1.448639       9.734657 
1 1 1 12  -3  12 o 82.925  2.1442  922.858   47.566    901.115   68.499    943.107   66.102    81.978  3.1196  83.872  2.9424  -1.893959      4.288344 
1 1 1 12  -3  13 o 124.331 2.7039  2073.64   90.023    2132.10   128.861   2017.92   125.817   126.042 3.8170  122.620 3.8308  3.422363       5.407804 
1 1 1 12  -3  14 f 58.675  1.8769  460.374   29.458    487.664   43.013    436.269   40.426    60.308  2.6628  57.042  2.6459  3.265938       3.753838 
1 1 1 12  -3  15 o 66.566  2.4986  608.776   40.798    562.822   72.468    630.099   49.365    64.586  4.2122  68.547  2.6887  -3.961052      4.997139 
1 1 1 12  -3  16 o 191.386 4.5380  4858.74   220.113   5213.94   384.499   4685.59   268.455   196.264 7.3142  186.509 5.3738  9.754074       9.076073 
1 1 1 12  -3  17 f 115.953 3.1721  1792.24   92.448    1855.23   162.900   1762.31   112.282   117.359 5.1822  114.548 3.6596  2.811440       6.344122 
1 1 1 12  -3  18 o 140.597 3.8921  2739.93   135.285   2465.82   236.796   2872.75   164.834   135.031 6.5472  146.164 4.2103  -11.13332      7.784104 
1 1 1 12  -3  19 o 63.107  2.1332  546.045   35.218    441.063   51.437    638.693   48.321    57.211  3.3715  69.002  2.6145  -11.79057      4.266437 
1 1 1 12  -3  20 o 161.757 3.3239  3521.14   143.948   3671.11   206.422   3379.18   200.838   165.114 4.6675  158.400 4.7337  6.713440       6.647813 
1 1 1 12  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -3  22 o 59.693  2.0187  477.157   32.153    492.303   47.909    464.745   43.371    60.547  2.9542  58.839  2.7520  1.708462       4.037390 
1 1 1 12  -3  23 o 169.341 3.4638  3871.17   156.976   4102.58   225.544   3653.75   218.613   174.265 4.8321  164.417 4.9641  9.847900       6.927548 
1 1 1 12  -3  24 o 121.777 2.7625  1996.89   90.022    2079.89   130.781   1922.16   124.102   124.173 3.9322  119.382 3.8811  4.790306       5.524905 
1 1 1 12  -3  25 f 163.357 3.4122  3619.86   149.237   3707.80   214.979   3538.07   207.336   165.257 4.8568  161.458 4.7943  3.798553       6.824483 
1 1 1 12  -3  26 o 36.533  2.0339  175.173   19.418    219.961   30.831    145.728   24.999    40.304  2.8748  32.763  2.8778  7.540539       4.067724 
1 1 1 12  -3  27 o 132.145 2.9088  2368.14   102.755   2580.81   149.843   2179.36   141.178   137.754 4.0611  126.537 4.1654  11.21703       5.817505 
1 1 1 12  -3  28 o 66.875  2.1885  606.601   38.864    599.692   58.751    611.976   51.823    66.484  3.2992  67.266  2.8763  -0.7814484     4.376966 
1 1 1 12  -3  29 o 53.598  2.0999  389.017   29.716    403.818   45.777    378.238   39.065    54.424  3.1538  52.773  2.7734  1.650826       4.199823 
1 1 1 12  -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -3  31 o 61.543  2.2255  520.368   36.064    505.174   55.444    531.512   47.482    60.601  3.4298  62.485  2.8370  -1.883606      4.451096 
1 1 1 12  -3  32 o 25.970  2.5722  96.218    16.481    89.721    27.458    99.877    20.606    25.048  4.2442  26.892  2.9071  -1.843939      5.144301 
1 1 1 12  -3  33 o 39.391  2.1828  206.740   22.368    255.620   36.454    177.224   28.328    42.966  3.1904  35.816  2.9800  7.150124       4.365614 
1 1 1 12  -3  34 o 16.193  3.0716  39.958    13.431    31.208    23.081    44.439    16.516    14.855  4.9510  17.530  3.6366  -2.675749      6.143106 
1 1 1 12  -3  35 o 30.056  2.6115  131.165   19.394    123.057   32.509    135.644   24.166    28.962  4.3231  31.149  2.9309  -2.186577      5.222985 
1 1 1 12  -3  36 o 22.765  2.9813  69.550    16.855    114.132   29.359    47.632    20.585    27.834  4.0573  17.696  4.3693  10.13854       5.962550 
1 1 1 12  -3  37 o 17.199  3.3605  43.359    15.075    57.870    27.284    36.983    18.086    18.897  5.2185  15.501  4.2356  3.395604       6.721073 
1 1 1 12  -3  38 o 11.475  3.0255  16.604    13.820    -10.1039  25.820    27.328    16.361    9.6094  4.4099  13.340  4.1434  -3.730735      6.050996 
1 1 1 12  -3  39 o 24.490  3.2265  91.781    19.109    107.960   34.489    84.614    22.954    25.383  5.2462  23.598  3.7575  1.785006       6.453073 
1 1 1 12  -3  40 o 22.526  3.3997  82.542    18.691    87.900    33.537    80.127    22.511    22.247  5.6248  22.805  3.8204  -0.5578880     6.799487 
1 1 1 12  -3  41 o 32.922  3.2891  183.199   25.362    158.352   43.769    195.758   31.118    29.620  5.7241  36.224  3.2415  -6.604197      6.578133 
1 1 1 12  -3  42 o 10.865  3.1577  14.576    15.104    -5.6066   29.460    21.774    17.593    10.004  4.6336  11.725  4.2912  -1.720981      6.315408 
1 1 1 12  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -2  2  o 344.826 9.3241  15975.06  861.181   15975.06  861.181   0.0000    0.0000    344.826 9.3241  ?       ?       ?              ?        
1 1 1 12  -2  3  o 307.572 7.2898  12922.13  561.047   12143.67  972.638   13310.32  686.831   300.286 12.093  314.858 8.1442  -14.57224      14.57956 
1 1 1 12  -2  4  f 295.765 5.5448  11744.82  439.222   11568.14  620.821   11921.88  621.487   293.533 7.8963  297.997 7.7863  -4.464417      11.08951 
1 1 1 12  -2  5  o 263.388 4.9800  9310.76   351.322   9245.82   496.442   9375.91   497.249   262.466 7.0616  264.310 7.0238  -1.843109      9.959944 
1 1 1 12  -2  6  o 224.845 4.3256  6782.69   260.503   6758.76   368.000   6806.72   368.817   224.447 6.1213  225.243 6.1132  -0.7955017     8.651124 
1 1 1 12  -2  7  o 351.651 6.5528  16638.53  617.202   16673.47  872.482   16603.52  873.229   352.023 9.2533  351.279 9.2808  0.7440491      13.10563 
1 1 1 12  -2  8  o 127.826 2.7065  2190.46   92.661    2207.37   130.686   2173.36   131.402   128.324 3.8022  127.329 3.8529  0.9940643      5.413052 
1 1 1 12  -2  9  f 51.884  1.6952  360.625   23.556    355.284   33.097    366.107   33.534    51.495  2.3996  52.273  2.3951  -0.7784882     3.390347 
1 1 1 12  -2  10 o 161.178 3.3133  3486.25   143.038   3497.39   201.956   3475.04   202.619   161.438 4.6705  160.919 4.7009  0.5188293      6.626648 
1 1 1 12  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -2  12 o 155.822 3.2159  3260.91   134.210   3303.66   189.542   3217.93   190.062   156.850 4.5116  154.795 4.5840  2.055191       6.431803 
1 1 1 12  -2  13 o 46.327  1.7029  288.483   21.055    290.249   29.577    286.669   29.980    46.473  2.3841  46.181  2.4323  0.2917099      3.405858 
1 1 1 12  -2  14 o 129.610 2.7875  2256.22   96.747    2307.90   136.585   2204.18   137.057   131.104 3.8895  128.115 3.9940  2.988968       5.575001 
1 1 1 12  -2  15 o 114.826 2.5519  1770.07   78.480    1736.89   110.667   1803.64   111.310   113.742 3.6325  115.910 3.5853  -2.168716      5.103868 
1 1 1 12  -2  16 f 25.207  1.8165  86.675    11.974    98.150    16.806    74.843    17.066    26.954  2.3514  23.459  2.7693  3.494947       3.632928 
1 1 1 12  -2  17 o 54.672  1.8469  400.938   27.042    404.085   38.004    397.710   38.487    54.890  2.5849  54.453  2.6388  0.4363556      3.693890 
1 1 1 12  -2  18 o 58.147  1.8862  453.470   29.374    446.782   41.242    460.356   41.849    57.712  2.6680  58.582  2.6670  -0.8701973     3.772419 
1 1 1 12  -2  19 o 39.906  1.8946  214.450   20.126    208.298   28.041    220.988   28.905    39.313  2.6789  40.498  2.6798  -1.185062      3.789167 
1 1 1 12  -2  20 o 36.769  1.8466  182.316   18.038    169.281   25.305    195.782   25.719    35.419  2.6874  38.120  2.5333  -2.700909      3.693162 
1 1 1 12  -2  21 o 73.536  4.0054  729.635   78.594    0.0000    0.0000    729.635   78.594    ?       ?       73.536  4.0054  ?              ?        
1 1 1 12  -2  22 o 209.868 4.1497  5966.06   233.255   6029.02   329.767   5903.03   329.977   210.990 5.8352  208.747 5.9017  2.242798       8.299360 
1 1 1 12  -2  23 o 80.089  2.1040  862.190   45.110    825.524   63.520    899.498   64.075    78.366  3.0262  81.812  2.9240  -3.445847      4.208028 
1 1 1 12  -2  24 o 132.977 2.8742  2388.03   102.372   2391.47   144.566   2384.57   144.988   133.075 4.0558  132.878 4.0737  0.1969757      5.748460 
1 1 1 12  -2  25 o 91.596  2.2650  1130.92   55.566    1116.08   78.397    1145.90   78.769    90.990  3.2167  92.202  3.1895  -1.212433      4.529945 
1 1 1 12  -2  26 o 22.464  2.0604  69.089    12.098    66.642    16.794    71.729    17.443    22.044  2.9159  22.884  2.9117  -0.8406792     4.120702 
1 1 1 12  -2  27 o 57.090  1.9703  440.647   30.067    453.288   42.479    427.956   42.563    57.954  2.7366  56.226  2.8353  1.728043       3.940558 
1 1 1 12  -2  28 o 127.739 3.6611  2270.65   115.988   2234.71   206.118   2287.31   140.312   126.162 6.0996  129.316 4.0509  -3.153931      7.322221 
1 1 1 12  -2  29 o 44.881  2.6233  271.253   30.344    253.243   38.053    302.701   50.284    42.987  3.3310  46.775  4.0536  -3.788822      5.246642 
1 1 1 12  -2  30 o 41.872  2.1289  237.228   23.332    254.616   36.948    225.695   30.090    43.074  3.2259  40.670  2.7788  2.404160       4.257746 
1 1 1 12  -2  31 o 35.026  2.3666  175.105   20.905    147.083   33.128    193.648   26.948    32.409  3.8943  37.644  2.6904  -5.234444      4.733263 
1 1 1 12  -2  32 o 66.429  2.2470  598.730   39.569    655.554   61.433    558.441   51.729    69.013  3.3234  63.845  3.0250  5.168606       4.493927 
1 1 1 12  -2  33 o 18.431  2.9198  46.608    13.547    61.024    23.310    39.256    16.646    20.414  4.3933  16.448  3.8470  3.965815       5.839565 
1 1 1 12  -2  34 o 45.658  2.3219  293.497   27.271    282.820   43.993    300.161   34.755    44.713  3.7067  46.603  2.7972  -1.889549      4.643764 
1 1 1 12  -2  35 o 12.034  2.6057  17.095    12.907    -32.9196  23.334    39.142    15.492    7.7350  3.7343  16.333  3.6349  -8.597991      5.211309 
1 1 1 12  -2  36 o 27.249  3.3076  135.055   20.682    57.598    34.356    179.078   25.901    18.737  6.0282  35.762  2.7245  -17.02548      6.615286 
1 1 1 12  -2  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -2  38 o 9.2421  2.8090  -7.9890   11.137    21.745    23.319    -16.7750  12.676    12.680  4.8763  5.8043  2.7900  6.875495       5.618047 
1 1 1 12  -2  39 o 15.503  3.4187  29.907    15.015    68.081    29.228    16.221    17.500    19.872  5.3656  11.135  4.2381  8.737098       6.837493 
1 1 1 12  -2  40 o 12.733  3.3131  25.193    15.144    7.6468    29.818    31.292    17.580    11.524  5.0506  13.941  4.2892  -2.416617      6.626193 
1 1 1 12  -2  41 o 27.651  3.3027  121.358   21.941    146.070   40.059    110.768   26.224    28.669  5.4153  26.634  3.7823  2.034998       6.605390 
1 1 1 12  -2  42 o 12.958  3.5445  26.046    15.810    40.797    30.909    20.819    18.400    14.423  5.5953  11.494  4.3526  2.928656       7.088909 
1 1 1 12  -1  0  o 100.167 3.0565  1411.98   74.237    1520.05   90.101    1183.53   131.000   106.518 3.1580  93.816  5.2341  12.70226       6.112984 
1 1 1 12  -1  1  o 206.637 4.8345  5629.67   253.218   5434.84   308.861   6029.08   442.234   201.329 5.7275  211.944 7.7901  -10.61464      9.669018 
1 1 1 12  -1  2  o 320.039 5.9641  13753.61  511.256   13765.67  722.655   13741.52  723.395   320.180 8.4265  319.897 8.4426  0.2826538      11.92827 
1 1 1 12  -1  3  o 562.045 10.420  42668.40  1568.53   41907.93  2217.48   43429.91  2219.01   556.992 14.863  567.099 14.609  -10.10669      20.84076 
1 1 1 12  -1  4  o 89.817  2.2094  1080.84   53.151    1077.12   75.252    1084.54   75.082    89.663  3.1334  89.971  3.1156  -0.3081818     4.418720 
1 1 1 12  -1  5  o 143.345 2.9724  2754.06   114.123   2750.03   161.409   2758.09   161.380   143.240 4.2070  143.450 4.2001  -0.2097931     5.944733 
1 1 1 12  -1  6  o 365.038 6.7898  17930.05  663.864   17802.61  938.595   18057.64  939.097   363.734 9.6340  366.342 9.5705  -2.607452      13.57969 
1 1 1 12  -1  7  o 210.704 4.1065  5957.65   231.759   5933.67   327.510   5981.71   328.003   210.279 5.8149  211.129 5.8002  -0.8506317     8.213081 
1 1 1 12  -1  8  o 168.345 3.3619  3801.47   151.585   3761.12   214.116   3842.02   214.633   167.448 4.7740  169.242 4.7348  -1.793594      6.723772 
1 1 1 12  -1  9  o 208.026 4.0468  5811.71   225.480   5841.25   318.670   5782.10   319.085   208.557 5.7046  207.495 5.7413  1.062363       8.093527 
1 1 1 12  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -1  11 o 198.911 3.8965  5318.60   207.588   5371.54   293.363   5265.51   293.785   199.907 5.4788  197.916 5.5419  1.991211       7.792983 
1 1 1 12  -1  12 o 177.379 3.5324  4228.60   167.825   4254.34   237.133   4202.78   237.547   177.922 4.9759  176.836 5.0152  1.086380       7.064851 
1 1 1 12  -1  13 o 151.916 3.1650  3101.80   128.722   3210.97   181.921   2992.35   182.161   154.602 4.3932  149.229 4.5574  5.373367       6.330033 
1 1 1 12  -1  14 o 159.777 3.2960  3432.77   140.990   3307.59   199.046   3558.82   199.736   156.843 4.7381  162.711 4.5830  -5.868256      6.591909 
1 1 1 12  -1  15 o 119.645 2.6321  1922.32   84.345    1938.99   119.099   1905.55   119.465   120.167 3.7003  119.123 3.7442  1.044464       5.264121 
1 1 1 12  -1  16 o 25.512  1.7700  88.631    11.821    101.496   16.697    75.704    16.738    27.419  2.2946  23.605  2.6957  3.813698       3.540048 
1 1 1 12  -1  17 o 272.914 5.2036  10093.61  380.370   9996.54   537.633   10190.89  538.215   271.587 7.3907  274.242 7.3271  -2.655121      10.40720 
1 1 1 12  -1  18 o 95.170  2.2980  1215.88   58.574    1194.27   82.556    1237.78   83.117    94.317  3.2679  96.022  3.2317  -1.705345      4.595993 
1 1 1 12  -1  19 o 104.737 2.4559  1473.42   68.880    1430.19   97.091    1517.22   97.734    103.187 3.5129  106.287 3.4330  -3.100204      4.911840 
1 1 1 12  -1  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -1  21 o 139.566 3.0207  2622.94   112.919   2627.87   159.486   2617.99   159.899   139.699 4.2623  139.432 4.2815  0.2662811      6.041351 
1 1 1 12  -1  22 f 101.716 2.3478  1391.05   63.958    1363.38   90.172    1419.06   90.731    100.695 3.3433  102.737 3.2972  -2.041054      4.695613 
1 1 1 12  -1  23 o 76.134  2.1237  779.465   43.304    784.522   60.965    774.316   61.520    76.385  2.9798  75.882  3.0268  0.5033112      4.247456 
1 1 1 12  -1  24 o 66.064  2.0057  586.938   35.473    561.147   49.701    613.719   50.646    64.582  2.8732  67.547  2.7993  -2.965363      4.011395 
1 1 1 12  -1  25 o 39.869  1.9003  215.144   20.151    222.546   28.199    207.420   28.806    40.584  2.6079  39.153  2.7646  1.431335       3.800558 
1 1 1 12  -1  26 o 102.478 2.4738  1421.88   67.899    1405.03   95.814    1438.88   96.234    101.864 3.5117  103.092 3.4851  -1.228172      4.947558 
1 1 1 12  -1  27 o 99.611  2.4465  1347.10   65.270    1362.43   92.204    1331.70   92.408    100.189 3.4359  99.034  3.4837  1.155014       4.893006 
1 1 1 12  -1  28 o 27.978  1.9428  106.886   14.365    102.973   20.098    110.974   20.541    27.445  2.7719  28.511  2.7229  -1.066086      3.885587 
1 1 1 12  -1  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  -1  30 o 62.867  2.0352  537.835   34.244    510.927   48.149    565.378   48.713    61.256  2.9346  64.478  2.8206  -3.221897      4.070364 
1 1 1 12  -1  31 o 22.877  2.1997  72.954    13.102    76.670    18.367    69.102    18.697    23.516  2.9830  22.239  3.2336  1.276470       4.399376 
1 1 1 12  -1  32 o 21.858  2.2569  66.954    12.785    60.609    17.827    73.674    18.345    20.733  3.3222  22.983  3.0559  -2.249685      4.513896 
1 1 1 12  -1  33 o 56.173  2.3111  440.131   33.870    429.993   53.287    447.004   43.873    55.403  3.6106  56.943  2.8859  -1.540112      4.622259 
1 1 1 12  -1  34 o 11.578  2.9150  17.041    12.145    -0.7298   21.722    25.122    14.648    9.9885  4.3457  13.167  3.8863  -3.178368      5.829922 
1 1 1 12  -1  35 o 12.627  3.0661  22.350    13.410    3.9127    23.538    31.210    16.317    10.782  4.6048  14.472  4.0498  -3.690823      6.132272 
1 1 1 12  -1  36 o 23.484  3.1858  89.186    18.100    69.737    30.888    99.358    22.338    20.686  5.4853  26.283  3.2418  -5.596588      6.371606 
1 1 1 12  -1  37 o 16.138  3.4216  37.489    14.797    55.069    27.820    30.553    17.474    18.207  5.3507  14.069  4.2662  4.137423       6.843228 
1 1 1 12  -1  38 o 23.525  3.2026  85.041    18.173    95.015    32.823    80.631    21.823    23.871  5.2741  23.179  3.6346  0.6917763      6.405159 
1 1 1 12  -1  39 o 8.4152  2.7284  -4.8764   12.330    -15.1824  25.609    -1.7666   14.068    9.0803  4.2442  7.7501  3.4299  1.330231       5.456878 
1 1 1 12  -1  40 o 31.921  3.0663  160.994   23.700    164.896   41.434    159.096   28.894    31.217  5.1339  32.624  3.3543  -1.407421      6.132613 
1 1 1 12  -1  41 o 13.636  3.3573  33.215    15.545    14.560    31.571    39.185    17.860    11.969  5.2224  15.303  4.2204  -3.334464      6.714581 
1 1 1 12  0   0  o 244.342 4.7294  8009.76   309.448   8214.69   437.748   7805.06   437.502   247.471 6.6041  241.212 6.7716  6.258835       9.458753 
1 1 1 12  0   1  o 263.477 4.9699  9314.38   350.725   9403.42   495.881   9225.25   496.119   264.740 6.9931  262.215 7.0638  2.524933       9.939861 
1 1 1 12  0   2  o 145.891 2.9802  2853.15   116.423   2922.10   164.308   2783.63   164.987   147.663 4.1543  144.119 4.2740  3.544052       5.960328 
1 1 1 12  0   3  o 207.181 4.0510  5756.32   224.799   5727.77   317.771   5784.93   318.058   206.666 5.7406  207.696 5.7173  -1.029678      8.101951 
1 1 1 12  0   4  o 311.409 5.8367  13026.74  486.841   13068.75  688.756   12984.79  688.240   311.912 8.2441  310.906 8.2646  1.005951       11.67342 
1 1 1 12  0   5  o 260.349 4.9537  9099.67   345.438   9080.34   488.660   9118.99   488.387   260.071 7.0150  260.626 6.9961  -0.5545959     9.907351 
1 1 1 12  0   6  o 128.419 2.7420  2210.55   94.315    2195.12   133.428   2225.96   133.336   127.971 3.8927  128.868 3.8629  -0.8966446     5.484049 
1 1 1 12  0   7  o 246.204 4.6702  8141.76   307.975   8091.69   435.448   8191.88   435.636   245.445 6.6236  246.964 6.5857  -1.518951      9.340418 
1 1 1 12  0   8  o 227.701 4.3507  6964.92   265.329   7056.06   375.161   6873.71   375.304   229.196 6.1111  226.206 6.1943  2.990143       8.701429 
1 1 1 12  0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  0   10 o 75.770  2.0554  770.421   41.651    818.573   58.867    722.150   58.940    78.145  2.8124  73.394  2.9982  4.751213       4.110832 
1 1 1 12  0   11 o 190.704 3.7874  4889.73   193.419   4999.84   273.446   4779.47   273.627   192.861 5.2934  188.546 5.4182  4.314667       7.574765 
1 1 1 12  0   12 o 140.632 2.9508  2655.80   111.131   2594.00   156.879   2718.04   157.449   138.986 4.2141  142.278 4.1316  -3.291702      5.901554 
1 1 1 12  0   13 o 168.381 3.4248  3812.01   154.457   3786.90   218.174   3837.24   218.698   167.823 4.8536  168.938 4.8331  -1.114502      6.849549 
1 1 1 12  0   14 o 131.125 2.7935  2309.27   98.110    2314.95   138.512   2303.56   138.987   131.288 3.9389  130.962 3.9622  0.3253937      5.586980 
1 1 1 12  0   15 o 122.158 2.6743  2004.11   87.498    1979.47   123.474   2028.96   124.010   121.402 3.7972  122.913 3.7668  -1.510918      5.348546 
1 1 1 12  0   16 o 112.267 2.5112  1692.70   75.500    1724.04   106.571   1661.12   106.975   113.313 3.5113  111.220 3.5910  2.093506       5.022385 
1 1 1 12  0   17 o 159.678 3.2382  3430.46   138.494   3420.00   195.617   3440.98   196.104   159.433 4.5808  159.922 4.5781  -0.4888458     6.476329 
1 1 1 12  0   18 o 203.691 3.9870  5597.15   217.518   5556.79   307.362   5637.65   307.872   202.951 5.6542  204.430 5.6226  -1.479584      7.973915 
1 1 1 12  0   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  0   20 f 132.576 2.9084  2365.60   103.239   2438.72   145.893   2292.27   146.109   134.639 4.0455  130.514 4.1796  4.125000       5.816823 
1 1 1 12  0   21 o 69.150  2.0354  642.064   37.698    632.172   53.080    652.131   53.548    68.612  2.8883  69.688  2.8688  -1.075989      4.070895 
1 1 1 12  0   22 o 104.249 2.4403  1462.54   68.134    1481.14   96.171    1443.79   96.542    104.918 3.4222  103.579 3.4798  1.339279       4.880619 
1 1 1 12  0   23 o 68.435  2.0630  629.867   37.811    618.358   53.328    641.502   53.619    67.804  2.9364  69.065  2.8985  -1.261002      4.125970 
1 1 1 12  0   24 o 110.022 2.6056  1635.12   76.775    1659.80   108.341   1610.24   108.814   110.865 3.6485  109.179 3.7210  1.685745       5.211226 
1 1 1 12  0   25 o 13.456  2.4303  25.506    9.2293    36.175    12.875    14.227    13.237    16.108  3.0965  10.804  3.7466  5.304175       4.860609 
1 1 1 12  0   26 o 61.808  1.9724  515.633   32.652    512.503   46.028    518.805   46.328    61.619  2.7888  61.997  2.7899  -0.3774834     3.944735 
1 1 1 12  0   27 o 26.827  1.9615  98.328    13.890    98.725    19.542    97.923    19.745    26.886  2.7525  26.767  2.7952  0.1187382      3.922945 
1 1 1 12  0   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  0   29 o 63.035  2.0507  540.784   34.572    571.090   48.700    509.995   49.086    64.848  2.8038  61.222  2.9934  3.625969       4.101374 
1 1 1 12  0   30 f 8.3918  2.3610  4.3029    8.1677    -0.6557   11.455    9.4319    11.650    7.4169  3.1911  9.3668  3.4806  -1.949901      4.722089 
1 1 1 12  0   31 o 12.544  2.2501  18.619    9.7977    44.148    13.918    -6.4592   13.795    17.726  3.0409  7.3625  3.3173  10.36343       4.500165 
1 1 1 12  0   32 o 22.570  2.3195  71.884    13.553    77.703    18.984    65.835    19.355    23.584  3.0787  21.556  3.4700  2.027491       4.638911 
1 1 1 12  0   33 o 23.552  2.3059  78.947    13.981    90.338    19.596    67.140    19.951    25.439  2.9296  21.666  3.5618  3.772646       4.611822 
1 1 1 12  0   34 o 31.214  2.1551  137.024   17.741    145.810   24.944    128.028   25.239    32.297  2.9149  30.131  3.1751  2.166304       4.310175 
1 1 1 12  0   35 o 10.022  2.6948  10.822    10.152    15.208    14.275    6.3338    14.440    10.834  3.8792  9.2098  3.7416  1.624379       5.389573 
1 1 1 12  0   36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  0   37 o 7.9779  2.5993  -15.0218  10.374    8.2925    22.368    -21.4109  11.710    10.815  4.5479  5.1413  2.5186  5.673285       5.198674 
1 1 1 12  0   38 o 16.635  3.3460  49.412    16.560    23.716    30.852    59.812    19.627    13.509  5.4759  19.761  3.8466  -6.251456      6.691921 
1 1 1 12  0   39 o 16.751  3.5570  48.928    17.027    39.741    31.444    52.739    20.253    15.326  5.7138  18.176  4.2380  -2.849679      7.113948 
1 1 1 12  0   40 o 10.549  3.1935  5.7899    13.936    21.672    28.408    0.7570    15.992    12.658  5.2071  8.4392  3.6987  4.218596       6.387003 
1 1 1 12  0   41 o 19.269  3.7584  69.383    18.925    72.878    36.239    68.073    22.191    18.381  6.2038  20.157  4.2445  -1.775675      7.516842 
1 1 1 12  1   0  o 663.093 12.344  59571.26  2191.94   61037.63  3100.77   58106.59  3098.98   671.342 17.244  654.844 17.668  16.49847       24.68845 
1 1 1 12  1   1  o 282.719 5.3538  10728.67  405.416   10747.34  573.015   10709.96  573.675   282.966 7.5604  282.471 7.5823  0.4943237      10.70751 
1 1 1 12  1   2  o 203.879 3.9512  5574.19   215.762   5613.57   304.704   5534.59   305.564   204.603 5.5600  203.156 5.6154  1.447067       7.902361 
1 1 1 12  1   3  o 434.344 8.0381  25415.33  934.896   24740.86  1321.50   26091.11  1322.78   428.542 11.513  440.146 11.220  -11.60376      16.07611 
1 1 1 12  1   4  o 210.446 4.0666  5940.96   229.216   5896.23   324.255   5985.63   324.067   209.652 5.7743  211.239 5.7276  -1.586258      8.133117 
1 1 1 12  1   5  o 250.210 4.7119  8405.34   315.786   8398.53   446.783   8412.13   446.395   250.108 6.6693  250.311 6.6581  -0.2035065     9.423893 
1 1 1 12  1   6  o 250.940 4.7435  8458.28   318.822   8515.99   451.070   8400.67   450.694   251.798 6.6881  250.082 6.7284  1.715134       9.486926 
1 1 1 12  1   7  o 105.463 2.3839  1490.95   67.332    1517.89   95.305    1464.10   95.139    106.415 3.3437  104.511 3.3987  1.904335       4.767719 
1 1 1 12  1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  1   9  o 29.991  1.6542  121.440   13.147    131.530   18.628    111.425   18.559    31.250  2.2403  28.732  2.4344  2.517649       3.308403 
1 1 1 12  1   10 o 109.075 2.4757  1595.81   72.329    1586.97   102.164   1604.70   102.414   108.772 3.5066  109.378 3.4957  -0.6065216     4.951437 
1 1 1 12  1   11 o 171.589 3.4714  3956.91   159.545   3952.66   225.501   3961.17   225.761   171.497 4.9091  171.682 4.9095  -0.1845856     6.942809 
1 1 1 12  1   12 o 76.012  2.0242  774.807   41.212    774.702   58.193    774.914   58.373    76.007  2.8584  76.017  2.8669  -0.1006317E-01 4.048447 
1 1 1 12  1   13 o 164.399 3.3588  3634.73   147.857   3734.49   209.032   3534.84   209.172   166.666 4.6825  162.132 4.8166  4.534286       6.717564 
1 1 1 12  1   14 o 172.027 3.4852  3982.06   160.541   3866.88   226.706   4097.91   227.374   169.521 4.9929  174.533 4.8638  -5.011658      6.970311 
1 1 1 12  1   15 o 175.966 3.5360  4168.01   166.654   4204.04   235.482   4131.85   235.888   176.732 4.9745  175.199 5.0267  1.533127       7.072050 
1 1 1 12  1   16 o 180.734 3.6332  4399.73   175.859   4475.90   248.484   4323.30   248.922   182.311 5.0886  179.158 5.1873  3.154022       7.266448 
1 1 1 12  1   17 o 240.912 4.6690  7849.02   301.214   8030.90   425.844   7666.89   426.118   243.733 6.5230  238.090 6.6819  5.642654       9.337941 
1 1 1 12  1   18 o 120.590 3.2405  1924.02   98.462    1862.57   119.462   2054.19   173.875   117.732 3.7883  123.448 5.2585  -5.715469      6.480981 
1 1 1 12  1   19 o 91.737  2.9226  1146.94   66.358    1097.81   117.364   1170.03   80.453    90.130  4.8797  93.344  3.2179  -3.213516      5.845205 
1 1 1 12  1   20 o 24.660  2.0070  83.112    12.915    73.057    18.346    92.989    18.184    23.128  3.0348  26.193  2.6273  -3.064989      4.014081 
1 1 1 12  1   21 o 104.935 2.4492  1481.39   68.787    1408.11   96.845    1555.99   97.719    102.307 3.5341  107.564 3.3917  -5.257339      4.898364 
1 1 1 12  1   22 o 83.691  2.1993  942.165   49.300    944.873   69.509    939.423   69.934    83.814  3.0963  83.568  3.1244  0.2453308      4.398691 
1 1 1 12  1   23 o 5.6668  1.8446  -11.3593  6.9313    -22.1336  9.9227    -1.0924   9.6862    4.5488  2.2458  6.7848  2.9268  -2.235999      3.689115 
1 1 1 12  1   24 o 31.489  1.9004  134.464   15.870    135.701   22.227    133.177   22.666    31.644  2.6467  31.335  2.7278  0.3093719      3.800808 
1 1 1 12  1   25 f 32.006  1.8893  139.151   15.985    124.595   22.404    154.246   22.815    30.268  2.7950  33.744  2.5429  -3.476025      3.778632 
1 1 1 12  1   26 o 53.044  1.9751  381.353   27.949    392.039   39.379    370.507   39.675    53.806  2.7415  52.282  2.8439  1.524387       3.950125 
1 1 1 12  1   27 o 74.535  2.1312  753.291   42.534    728.534   59.719    778.781   60.596    73.283  3.0424  75.786  2.9851  -2.503082      4.262310 
1 1 1 12  1   28 o 69.162  2.0905  649.921   38.722    657.403   54.579    642.339   54.945    69.572  2.9289  68.753  2.9837  0.8198318      4.180973 
1 1 1 12  1   29 o 23.988  2.1690  79.752    13.432    65.316    18.634    95.365    19.379    21.625  3.3234  26.351  2.7880  -4.726332      4.337974 
1 1 1 12  1   30 o 16.138  2.4919  37.656    10.906    18.362    15.237    57.926    15.617    11.869  4.0226  20.406  2.9422  -8.537442      4.983761 
1 1 1 12  1   31 o 16.372  2.5931  38.455    11.141    31.104    15.464    46.387    16.063    14.689  3.8746  18.055  3.4473  -3.365911      5.186186 
1 1 1 12  1   32 f 22.916  2.3035  74.060    13.722    76.519    19.177    71.479    19.643    23.350  3.1463  22.482  3.3654  0.8677044      4.607041 
1 1 1 12  1   33 f 15.764  2.7628  36.722    11.788    45.483    16.576    27.757    16.768    17.702  3.6183  13.825  4.1761  3.876143       5.525544 
1 1 1 12  1   34 o 9.6454  2.6109  8.1074    9.8760    0.1434    13.691    16.748    14.260    8.0933  3.4854  11.198  3.8884  -3.104219      5.221833 
1 1 1 12  1   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  1   36 o 18.640  2.7254  53.095    13.209    38.146    18.552    68.464    18.811    15.663  4.2939  21.618  3.3576  -5.955277      5.450819 
1 1 1 12  1   37 o 21.439  2.6635  69.437    14.726    70.934    20.560    67.861    21.101    21.747  3.6597  21.131  3.8709  0.6157322      5.327005 
1 1 1 12  1   38 o 13.742  2.9469  29.566    11.790    29.780    16.806    29.358    16.544    13.784  4.1848  13.700  4.1503  0.8446789E-01  5.893857 
1 1 1 12  1   39 o 7.1684  2.4522  -18.1628  12.504    -64.1705  30.463    -8.8410   13.712    7.5312  3.7546  6.8056  3.1554  0.7255812      4.904389 
1 1 1 12  1   40 o 21.511  3.4730  66.128    19.115    136.948   35.945    38.203    22.571    28.258  4.9282  14.764  4.8949  13.49476       6.946004 
1 1 1 12  2   0  o 237.815 4.5151  7587.10   287.591   7662.20   406.467   7511.82   406.965   238.995 6.3496  236.634 6.4208  2.361206       9.030189 
1 1 1 12  2   1  o 319.585 5.9757  13721.00  511.486   13896.63  722.994   13545.04  723.708   321.639 8.3922  317.530 8.5092  4.108276       11.95140 
1 1 1 12  2   2  o 237.081 4.5553  7542.16   289.264   7584.66   408.706   7499.50   409.457   237.752 6.4180  236.410 6.4663  1.341888       9.110579 
1 1 1 12  2   3  o 104.336 2.4042  1458.75   67.186    1447.28   94.856    1470.30   95.176    103.924 3.4077  104.748 3.3923  -0.8233490     4.808321 
1 1 1 12  2   4  o 241.993 4.6533  7862.35   301.614   7910.26   426.716   7814.52   426.377   242.731 6.5633  241.255 6.5983  1.476532       9.306686 
1 1 1 12  2   5  o 233.517 4.4433  7322.16   277.912   7377.50   393.260   7266.96   392.793   234.400 6.2637  232.634 6.3038  1.766602       8.886628 
1 1 1 12  2   6  o 193.402 3.8041  5020.81   197.052   4959.01   278.736   5082.56   278.611   192.209 5.4141  194.594 5.3454  -2.385193      7.608282 
1 1 1 12  2   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  2   8  f 120.595 2.6069  1950.56   84.206    1941.13   119.147   1959.97   119.025   120.303 3.6976  120.887 3.6760  -0.5834351     5.213883 
1 1 1 12  2   9  o 78.851  2.0336  833.524   42.950    834.264   60.772    832.785   60.710    78.886  2.8762  78.816  2.8758  0.6996918E-01  4.067255 
1 1 1 12  2   10 o 100.114 2.3323  1344.36   62.539    1332.55   88.350    1356.21   88.536    99.673  3.3093  100.555 3.2872  -0.8819199     4.664501 
1 1 1 12  2   11 o 197.339 3.8830  5240.30   205.223   5153.28   289.998   5327.59   290.459   195.691 5.5327  198.987 5.4497  -3.296249      7.765930 
1 1 1 12  2   12 o 140.807 2.9818  2663.34   112.455   2641.65   158.863   2685.13   159.209   140.231 4.2295  141.383 4.2042  -1.152023      5.963535 
1 1 1 12  2   13 o 104.347 2.3952  1461.43   66.927    1418.57   94.442    1504.65   94.858    102.808 3.4297  105.887 3.3446  -3.078880      4.790492 
1 1 1 12  2   14 o 80.270  2.0961  864.393   45.066    860.325   63.570    868.503   63.898    80.081  2.9637  80.460  2.9650  -0.3796616     4.192204 
1 1 1 12  2   15 o 111.258 2.5333  1662.46   75.476    1700.74   106.606   1623.99   106.872   112.546 3.5364  109.970 3.6283  2.576149       5.066630 
1 1 1 12  2   16 o 116.145 2.6339  1812.85   81.885    1886.27   115.698   1739.18   115.908   118.509 3.6449  113.781 3.8033  4.728798       5.267824 
1 1 1 12  2   17 o 64.534  1.9760  559.324   34.105    593.713   48.182    524.794   48.282    66.527  2.7039  62.540  2.8823  3.987427       3.952065 
1 1 1 12  2   18 o 202.724 7.9991  5590.92   434.345   0.0000    0.0000    5590.92   434.345   ?       ?       202.724 7.9991  ?              ?        
1 1 1 12  2   19 f 18.868  2.2271  49.172    10.801    41.930    15.084    56.794    15.474    17.373  3.3630  20.363  2.9207  -2.989483      4.454247 
1 1 1 12  2   20 o 183.623 3.7474  4558.30   184.310   4563.35   260.346   4553.23   260.961   183.728 5.2904  183.518 5.3089  0.2097778      7.494857 
1 1 1 12  2   21 o 44.058  1.8582  261.707   21.821    266.525   30.686    256.778   31.037    44.474  2.5872  43.642  2.6680  0.8322182      3.716396 
1 1 1 12  2   22 o 48.283  1.9233  314.500   24.747    297.281   34.866    331.982   35.132    46.938  2.7857  49.628  2.6526  -2.689320      3.846553 
1 1 1 12  2   23 o 98.632  2.4114  1312.95   63.691    1337.58   89.826    1288.05   90.322    99.571  3.3681  97.692  3.4518  1.879082       4.822740 
1 1 1 12  2   24 o 66.750  2.0245  600.671   36.193    591.715   50.908    609.824   51.465    66.246  2.8691  67.254  2.8570  -1.007942      4.048936 
1 1 1 12  2   25 o 43.691  1.9032  258.659   22.151    266.103   31.169    251.062   31.487    44.338  2.6364  43.043  2.7454  1.295174       3.806320 
1 1 1 12  2   26 o 114.301 2.6653  1782.09   81.567    1836.79   115.242   1727.18   115.465   116.093 3.7061  112.509 3.8316  3.584488       5.330653 
1 1 1 12  2   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  2   28 o 68.507  2.0878  638.072   38.300    618.714   53.829    657.919   54.506    67.446  2.9797  69.569  2.9251  -2.123489      4.175501 
1 1 1 12  2   29 o 23.356  2.1949  75.910    13.315    84.202    18.854    67.660    18.807    24.703  2.9050  22.010  3.2911  2.692392       4.389856 
1 1 1 12  2   30 o 22.878  2.2592  73.510    13.331    83.847    18.792    63.040    18.914    24.613  2.9066  21.144  3.4594  3.469725       4.518374 
1 1 1 12  2   31 o 25.143  2.2079  88.577    14.381    74.607    20.180    102.993   20.500    23.009  3.3747  27.277  2.8479  -4.268024      4.415774 
1 1 1 12  2   32 o 25.523  2.2289  91.493    14.908    92.354    20.895    90.600    21.276    25.665  3.1026  25.381  3.2009  0.2839184      4.457801 
1 1 1 12  2   33 o 12.640  2.8797  22.672    11.092    21.388    15.603    23.983    15.771    12.356  4.0685  12.925  4.0765  -0.5695763     5.759393 
1 1 1 12  2   34 o 24.816  2.3745  88.758    15.317    94.733    21.409    82.493    21.924    25.777  3.1675  23.855  3.5384  1.921871       4.749010 
1 1 1 12  2   35 o 12.334  2.9092  21.858    11.412    26.540    16.092    17.121    16.186    13.299  4.1056  11.369  4.1227  1.930593       5.818335 
1 1 1 12  2   36 o 28.945  2.3287  121.981   17.678    129.993   24.858    113.783   25.145    30.019  3.1380  27.870  3.4415  2.148989       4.657338 
1 1 1 12  2   37 o 20.710  2.7224  65.265    14.530    71.512    20.758    59.265    20.345    21.803  3.6859  19.616  4.0076  2.187729       5.444863 
1 1 1 12  2   38 o 19.277  2.9018  58.962    14.742    38.249    20.518    81.066    21.195    15.314  4.6182  23.240  3.5148  -7.925934      5.803610 
1 1 1 12  2   39 o 30.127  2.4478  137.146   19.374    135.832   26.789    138.587   28.053    30.044  3.3881  30.209  3.5337  -0.1645508     4.895585 
1 1 1 12  2   40 f 10.880  2.9855  16.905    12.447    15.436    17.335    18.468    17.883    10.607  4.1688  11.153  4.2748  -0.5456305     5.970985 
1 1 1 12  3   0  o 464.780 8.6485  29131.03  1076.66   29197.43  1522.23   29064.55  1523.02   465.315 12.214  464.246 12.248  1.069031       17.29704 
1 1 1 12  3   1  o 361.898 6.7927  17621.73  658.384   17881.21  930.715   17361.83  931.476   364.578 9.5310  359.218 9.6811  5.359467       13.58541 
1 1 1 12  3   2  o 328.553 6.1392  14516.74  540.249   14633.75  763.657   14399.51  764.399   329.884 8.6427  327.221 8.7215  2.663055       12.27843 
1 1 1 12  3   3  o 59.669  1.8318  477.018   29.276    475.658   41.273    478.395   41.532    59.584  2.5861  59.755  2.5949  -0.1710587     3.663534 
1 1 1 12  3   4  o 137.797 2.8989  2545.95   106.993   2546.87   151.348   2545.03   151.275   137.822 4.0999  137.772 4.0994  0.4980469E-01  5.797716 
1 1 1 12  3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  3   6  o 43.718  1.7011  256.888   19.843    256.376   28.183    257.391   27.942    43.674  2.4186  43.763  2.3928  -0.8836746E-01 3.402268 
1 1 1 12  3   7  o 104.760 2.3758  1471.58   66.664    1468.09   94.394    1475.05   94.162    104.635 3.3680  104.884 3.3518  -0.2484283     4.751642 
1 1 1 12  3   8  o 179.930 3.6077  4350.32   173.834   4248.69   245.833   4451.95   245.844   177.821 5.1614  182.039 5.0420  -4.217392      7.215405 
1 1 1 12  3   9  o 154.930 3.1252  3223.40   129.690   3234.00   183.493   3212.82   183.326   155.185 4.4145  154.675 4.4250  0.5100250      6.250486 
1 1 1 12  3   10 f 134.253 2.8396  2419.94   102.103   2454.78   144.454   2385.15   144.338   135.221 3.9884  133.285 4.0431  1.936020       5.679214 
1 1 1 12  3   11 o 134.137 2.8511  2416.29   102.433   2436.89   144.823   2395.67   144.899   134.711 4.0137  133.564 4.0503  1.147507       5.702188 
1 1 1 12  3   12 o 118.325 2.6289  1880.16   83.290    1934.15   117.732   1826.06   117.849   120.031 3.6619  116.620 3.7728  3.410919       5.257743 
1 1 1 12  3   13 o 192.708 3.7825  5000.89   195.223   4916.12   275.796   5086.02   276.379   191.064 5.3891  194.353 5.3091  -3.289352      7.565048 
1 1 1 12  3   14 o 130.496 2.8018  2287.79   97.931    2280.03   138.265   2295.60   138.727   130.274 3.9625  130.718 3.9622  -0.4440613     5.603591 
1 1 1 12  3   15 o 131.151 2.8598  2312.43   100.402   2402.59   141.917   2222.07   142.061   133.721 3.9623  128.581 4.1249  5.139313       5.719633 
1 1 1 12  3   16 o 101.190 2.3729  1374.69   64.314    1375.52   90.770    1373.86   91.140    101.221 3.3480  101.159 3.3637  0.6235504E-01  4.745868 
1 1 1 12  3   17 o 151.600 6.2532  3106.51   253.917   0.0000    0.0000    3106.51   253.917   ?       ?       151.600 6.2532  ?              ?        
1 1 1 12  3   18 o 77.489  2.0978  806.141   43.513    769.360   61.264    843.584   61.812    75.701  3.0214  79.276  2.9110  -3.574547      4.195609 
1 1 1 12  3   19 o 65.246  1.9581  571.510   34.218    571.495   48.095    571.526   48.692    65.246  2.7521  65.246  2.7862  0.2136230E-03  3.916224 
1 1 1 12  3   20 o 47.638  1.8690  305.651   23.751    298.802   33.399    312.660   33.783    47.095  2.6586  48.181  2.6277  -1.086273      3.738015 
1 1 1 12  3   21 f 97.881  2.4176  1290.30   63.382    1275.66   89.353    1305.12   89.920    97.321  3.4278  98.442  3.4103  -1.120346      4.835257 
1 1 1 12  3   22 o 34.082  1.8909  157.218   17.119    159.209   24.046    155.171   24.378    34.307  2.6370  33.857  2.7109  0.4503822      3.781891 
1 1 1 12  3   23 o 37.986  1.8568  195.217   18.724    177.391   26.210    213.796   26.757    36.192  2.7237  39.780  2.5243  -3.587872      3.713580 
1 1 1 12  3   24 o 25.422  2.0056  88.229    13.415    84.240    18.750    92.412    19.201    24.820  2.8735  26.024  2.7987  -1.203957      4.011158 
1 1 1 12  3   25 o 52.918  1.9237  378.791   27.205    364.502   38.232    393.445   38.719    51.863  2.7622  53.972  2.6783  -2.108414      3.847468 
1 1 1 12  3   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  3   27 o 63.647  2.0359  549.844   34.705    540.066   48.748    559.893   49.419    63.071  2.8856  64.222  2.8729  -1.151138      4.071876 
1 1 1 12  3   28 o 67.763  2.0910  625.052   37.947    611.534   53.333    638.911   54.003    67.016  2.9712  68.510  2.9429  -1.494385      4.181912 
1 1 1 12  3   29 o 26.289  2.1090  95.528    14.558    88.687    20.421    102.599   20.760    25.295  3.0774  27.284  2.8845  -1.989191      4.217926 
1 1 1 12  3   30 o 36.589  2.0153  184.241   19.588    187.601   27.537    180.798   27.870    36.945  2.8037  36.234  2.8959  0.7107735      4.030688 
1 1 1 12  3   31 o 31.405  2.1040  136.943   17.452    126.918   24.472    147.318   24.896    30.190  3.0689  32.619  2.8790  -2.428427      4.207963 
1 1 1 12  3   32 o 27.647  2.2654  107.841   16.423    114.387   23.092    101.143   23.361    28.563  3.0664  26.731  3.3353  1.831890       4.530713 
1 1 1 12  3   33 o 12.273  2.4844  17.528    10.798    41.155    15.363    -5.5380   15.180    16.767  3.5323  7.7787  3.4946  8.988667       4.968841 
1 1 1 12  3   34 o 36.322  3.0809  187.256   29.691    0.0000    0.0000    187.256   29.691    ?       ?       36.322  3.0809  ?              ?        
1 1 1 12  3   35 o 33.470  2.2176  160.802   19.623    168.341   27.678    153.183   27.825    34.330  3.0415  32.610  3.2280  1.719280       4.435217 
1 1 1 12  3   36 o 14.333  2.7905  29.844    12.785    53.094    18.246    7.4168    17.920    18.726  3.7682  9.9400  4.1168  8.785893       5.580962 
1 1 1 12  3   37 o 26.442  2.4709  103.720   17.066    100.776   23.776    106.849   24.511    26.050  3.4957  26.835  3.4930  -0.7844391     4.941761 
1 1 1 12  3   38 o 15.181  3.2132  37.849    14.107    35.174    19.812    40.601    20.092    14.653  4.5608  15.709  4.5273  -1.055930      6.426316 
1 1 1 12  3   39 o 8.6443  2.5573  -1.5709   11.219    -19.1612  15.645    17.051    16.097    6.3962  3.0805  10.892  4.0828  -4.496290      5.114544 
1 1 1 12  4   0  o 94.166  2.2386  1188.16   56.456    1165.23   79.581    1211.39   80.103    93.251  3.1862  95.081  3.1453  -1.829643      4.477127 
1 1 1 12  4   1  o 301.881 5.6570  12252.17  457.417   12246.15  646.305   12258.22  647.467   301.807 7.9950  301.955 8.0055  -0.1472168     11.31404 
1 1 1 12  4   2  o 170.896 4.8477  3922.80   221.876   3856.50   311.108   3991.43   316.522   169.427 6.8555  172.365 6.8559  -2.938370      9.695429 
1 1 1 12  4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  4   4  o 56.536  1.8307  428.495   27.702    408.455   39.123    448.644   39.230    55.209  2.6457  57.863  2.5312  -2.653870      3.661464 
1 1 1 12  4   5  o 250.799 4.7852  8461.90   321.445   8414.50   454.710   8509.25   454.474   250.093 6.7880  251.504 6.7464  -1.411148      9.570364 
1 1 1 12  4   6  o 168.778 3.4080  3824.91   154.057   3869.97   218.115   3780.05   217.626   169.772 4.7966  167.784 4.8425  1.988052       6.815941 
1 1 1 12  4   7  o 143.831 3.0134  2776.92   116.090   2762.22   164.336   2791.57   164.016   143.450 4.2770  144.213 4.2461  -0.7624817     6.026829 
1 1 1 12  4   8  o 97.450  2.3070  1273.83   60.203    1308.67   85.286    1239.23   84.994    98.780  3.2234  96.120  3.3013  2.659752       4.614002 
1 1 1 12  4   9  o 80.176  2.0802  862.058   44.672    856.868   63.271    867.216   63.080    79.935  2.9552  80.417  2.9286  -0.4821930     4.160456 
1 1 1 12  4   10 o 122.364 2.6617  2010.00   87.230    2040.61   123.466   1979.49   123.257   123.296 3.7386  121.432 3.7896  1.864456       5.323354 
1 1 1 12  4   11 o 172.657 3.4795  4009.57   160.906   3963.08   227.503   4056.11   227.609   171.652 4.9482  173.663 4.8932  -2.011169      6.959059 
1 1 1 12  4   12 o 134.157 2.8594  2417.78   102.749   2426.07   145.251   2409.47   145.368   134.388 4.0353  133.926 4.0524  0.4622498      5.718873 
1 1 1 12  4   13 o 198.750 3.9379  5323.12   209.599   5434.79   296.370   5211.37   296.465   200.849 5.5090  196.652 5.6284  4.197159       7.875822 
1 1 1 12  4   14 o 118.739 2.6559  1893.82   84.459    1925.96   119.312   1861.55   119.574   119.752 3.7198  117.726 3.7921  2.026024       5.311898 
1 1 1 12  4   15 o 164.544 3.3872  3643.67   149.282   3629.89   210.722   3657.55   211.512   164.232 4.7903  164.857 4.7900  -0.6247253     6.774327 
1 1 1 12  4   16 o 126.611 5.4365  2161.47   184.366   0.0000    0.0000    2161.47   184.366   ?       ?       126.611 5.4365  ?              ?        
1 1 1 12  4   17 o 91.271  2.2914  1118.64   56.012    1096.11   78.956    1141.45   79.473    90.344  3.2628  92.197  3.2182  -1.852997      4.582890 
1 1 1 12  4   18 o 37.923  1.8516  194.032   18.679    200.774   26.315    187.185   26.519    38.596  2.5601  37.250  2.6757  1.346386       3.703176 
1 1 1 12  4   19 o 115.799 2.6304  1805.07   81.578    1773.67   115.043   1836.82   115.697   114.783 3.7419  116.815 3.6977  -2.032677      5.260709 
1 1 1 12  4   20 o 51.108  1.9288  351.972   26.308    349.000   37.013    355.005   37.399    50.890  2.7253  51.326  2.7302  -0.4364052     3.857661 
1 1 1 12  4   21 o 44.249  1.8658  264.185   22.013    264.096   31.013    264.275   31.250    44.243  2.6289  44.255  2.6485  -0.1258087E-01 3.731658 
1 1 1 12  4   22 o 29.148  1.9169  115.544   14.731    103.717   20.728    127.611   20.938    27.605  2.8441  30.690  2.5708  -3.084484      3.833755 
1 1 1 12  4   23 o 52.185  1.9034  367.582   26.502    339.311   37.093    397.065   37.879    50.086  2.7758  54.285  2.6052  -4.198730      3.806831 
1 1 1 12  4   24 o 61.320  2.0080  508.881   32.915    543.665   46.426    473.726   46.672    63.451  2.7317  59.189  2.9439  4.261169       4.016063 
1 1 1 12  4   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  4   26 o 112.133 2.6418  1720.59   79.346    1714.19   111.862   1727.07   112.565   111.926 3.7313  112.340 3.7409  -0.4134216     5.283677 
1 1 1 12  4   27 o 74.547  2.1758  757.231   43.419    781.694   61.141    732.343   61.671    75.788  3.0119  73.306  3.1409  2.482430       4.351615 
1 1 1 12  4   28 o 48.866  1.9832  326.257   25.828    337.375   36.315    314.876   36.742    49.734  2.7366  47.998  2.8711  1.735947       3.966417 
1 1 1 12  4   29 o 19.090  2.4084  51.587    11.862    52.243    16.721    50.923    16.829    19.225  3.3702  18.955  3.4415  0.2697601      4.816803 
1 1 1 12  4   30 o 15.356  2.6546  34.158    10.820    34.450    14.963    33.837    15.665    15.438  3.6721  15.275  3.8346  0.1624517      5.309225 
1 1 1 12  4   31 o 13.805  2.8232  27.481    11.255    20.414    15.896    34.586    15.939    12.239  4.1089  15.372  3.8729  -3.133156      5.646462 
1 1 1 12  4   32 o 25.238  2.3196  90.654    15.267    97.128    21.582    84.168    21.600    26.215  3.1359  24.261  3.4187  1.953751       4.639168 
1 1 1 12  4   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  4   34 o 19.552  2.7474  57.483    13.872    49.175    19.451    66.083    19.789    17.948  4.1317  21.156  3.6225  -3.207922      5.494820 
1 1 1 12  4   35 f 23.380  2.6212  82.143    15.521    102.591   22.086    62.191    21.817    26.649  3.1554  20.111  4.1864  6.538790       5.242395 
1 1 1 12  4   36 o 10.673  2.8471  14.249    11.115    13.146    15.573    15.394    15.868    10.447  3.9928  10.899  4.0598  -0.4512300     5.694230 
1 1 1 12  4   37 o 7.2946  2.3314  -4.8554   9.7382    -6.9928   14.245    -2.9801   13.343    7.1859  3.2895  7.4033  3.3045  -0.2173085     4.662729 
1 1 1 12  4   38 o 18.658  2.9774  57.031    14.779    73.965    21.027    40.497    20.777    21.833  3.7295  15.483  4.6423  6.350463       5.954819 
1 1 1 12  5   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  5   1  o 299.319 7.9697  12122.13  638.083   12884.98  904.539   11366.51  900.246   308.782 10.937  289.856 11.596  18.92639       15.93949 
1 1 1 12  5   2  o 45.584  1.7365  279.400   21.104    298.948   29.719    259.515   29.974    47.235  2.3490  43.934  2.5583  3.301907       3.473089 
1 1 1 12  5   3  f 213.476 4.1494  6124.21   237.162   5914.73   334.990   6334.71   335.806   209.804 5.9611  217.148 5.7736  -7.343414      8.298748 
1 1 1 12  5   4  o 25.866  1.7045  90.445    11.672    91.370    16.453    89.507    16.561    26.003  2.3890  25.730  2.4319  0.2727966      3.409025 
1 1 1 12  5   5  o 59.377  1.8654  472.548   29.667    473.253   42.038    471.849   41.874    59.421  2.6413  59.333  2.6349  0.8807755E-01  3.730831 
1 1 1 12  5   6  o 75.711  2.0281  768.485   41.127    768.364   58.305    768.605   58.021    75.704  2.8754  75.717  2.8609  -0.1227570E-01 4.056186 
1 1 1 12  5   7  o 174.744 3.5540  4104.51   166.329   4043.29   235.404   4165.54   235.045   173.438 5.0674  176.051 4.9845  -2.613052      7.108002 
1 1 1 12  5   8  o 161.536 3.3037  3506.49   142.938   3473.66   202.289   3539.21   202.001   160.779 4.6974  162.294 4.6469  -1.515823      6.607469 
1 1 1 12  5   9  o 188.008 3.7602  4755.93   189.346   4804.23   267.937   4707.74   267.614   188.965 5.2937  187.050 5.3415  1.915146       7.520311 
1 1 1 12  5   10 o 187.926 3.7381  4752.91   188.156   4727.27   266.143   4778.52   266.043   187.417 5.3017  188.435 5.2711  -1.018478      7.476157 
1 1 1 12  5   11 o 120.244 2.6240  1941.47   84.499    1982.96   119.579   1900.09   119.421   121.531 3.6735  118.958 3.7480  2.572449       5.248050 
1 1 1 12  5   12 o 153.626 3.1715  3173.35   130.481   3241.40   184.616   3105.43   184.441   155.278 4.4388  151.975 4.5310  3.303619       6.342986 
1 1 1 12  5   13 o 105.613 2.4451  1497.40   69.162    1472.24   97.637    1522.73   97.983    104.721 3.4809  106.505 3.4347  -1.784233      4.890188 
1 1 1 12  5   14 o 153.008 6.3006  3161.33   258.215   3161.33   258.215   0.0000    0.0000    153.008 6.3006  ?       ?       ?              ?        
1 1 1 12  5   15 o 189.420 3.7916  4836.38   192.367   4818.33   271.858   4854.48   272.239   189.065 5.3684  189.776 5.3558  -0.7108154     7.583102 
1 1 1 12  5   16 o 84.805  2.2176  965.583   50.372    971.968   71.166    959.173   71.308    85.087  3.1226  84.523  3.1497  0.5636826      4.435269 
1 1 1 12  5   17 o 191.435 3.7979  4949.96   194.718   4858.62   274.978   5041.83   275.769   189.651 5.4132  193.219 5.3285  -3.568268      7.595783 
1 1 1 12  5   18 o 92.316  2.3036  1145.78   56.957    1155.04   80.361    1136.43   80.740    92.694  3.2367  91.939  3.2787  0.7545090      4.607197 
1 1 1 12  5   19 o 162.693 3.3437  3579.79   145.701   3532.03   205.656   3627.91   206.449   161.595 4.7514  163.790 4.7059  -2.194183      6.687380 
1 1 1 12  5   20 o 52.321  1.9089  369.052   26.658    372.637   37.667    365.453   37.734    52.578  2.6836  52.063  2.7153  0.5146446      3.817702 
1 1 1 12  5   21 o 78.990  2.1497  841.250   45.461    864.189   63.994    817.880   64.593    80.087  2.9832  77.894  3.0960  2.193405       4.299374 
1 1 1 12  5   22 o 39.706  1.8804  213.577   19.806    191.278   27.780    236.628   28.246    37.567  2.7806  41.844  2.5321  -4.276951      3.760720 
1 1 1 12  5   23 o 96.552  2.3937  1263.66   61.902    1267.20   87.166    1260.07   87.923    96.695  3.3655  96.409  3.4048  0.2858429      4.787465 
1 1 1 12  5   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  5   25 o 135.340 3.0017  2518.70   108.808   2486.52   153.405   2551.28   154.355   134.458 4.2596  136.222 4.2304  -1.763962      6.003373 
1 1 1 12  5   26 o 72.687  2.1391  718.385   41.636    697.021   58.443    740.404   59.333    71.582  3.0482  73.793  3.0019  -2.211288      4.278151 
1 1 1 12  5   27 o 25.333  2.1594  88.684    14.355    87.263    20.081    90.170    20.528    25.125  3.0462  25.542  3.0615  -0.4169483     4.318820 
1 1 1 12  5   28 o 23.703  2.2036  78.517    13.489    65.895    18.964    91.442    19.191    21.660  3.3790  25.746  2.8295  -4.085917      4.407264 
1 1 1 12  5   29 o 10.493  2.5575  12.781    9.2890    3.9462    13.189    21.477    13.085    8.6502  3.5520  12.336  3.6807  -3.686066      5.115066 
1 1 1 12  5   30 o 48.464  2.0460  324.254   26.428    313.073   36.934    335.986   37.832    47.596  2.9111  49.331  2.8756  -1.734852      4.091919 
1 1 1 12  5   31 o 20.941  2.5091  63.210    13.558    60.127    19.274    66.230    19.076    20.378  3.6660  21.505  3.4267  -1.127668      5.018158 
1 1 1 12  5   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  5   33 o 9.5254  2.6703  7.2554    10.435    14.407    15.000    0.5498    14.525    10.731  3.9570  8.3202  3.5866  2.410333       5.340561 
1 1 1 12  5   34 o 19.069  2.8495  55.369    14.110    48.918    19.858    61.948    20.053    17.813  4.2259  20.326  3.8237  -2.512592      5.699021 
1 1 1 12  5   35 o 19.726  2.7672  59.161    14.098    61.374    19.712    56.844    20.171    20.185  3.7849  19.267  4.0378  0.9189434      5.534367 
1 1 1 12  5   36 o 17.057  2.8451  46.298    13.543    24.696    19.248    67.481    19.060    12.841  4.5141  21.274  3.4643  -8.432634      5.690222 
1 1 1 12  5   37 o 10.084  2.7017  7.9509    11.288    -7.2695   15.452    25.365    16.528    7.4468  3.4152  12.722  4.1873  -5.275139      5.403465 
1 1 1 12  6   0  o 52.861  1.7351  374.401   24.567    371.308   34.573    377.555   34.915    52.641  2.4520  53.082  2.4557  -0.4409218     3.470301 
1 1 1 12  6   1  o 117.671 2.5486  1856.89   80.316    1876.70   113.140   1836.75   114.034   118.306 3.5704  117.037 3.6377  1.268707       5.097117 
1 1 1 12  6   2  o 150.512 3.1230  3044.99   125.615   3275.55   177.434   2813.31   177.859   156.245 4.2397  144.779 4.5865  11.46658       6.245926 
1 1 1 12  6   3  o 264.531 5.0463  9426.05   357.546   9495.46   505.435   9356.52   505.858   265.513 7.1071  263.550 7.1660  1.962280       10.09267 
1 1 1 12  6   4  o 117.370 2.5779  1848.14   81.028    1805.24   114.508   1891.15   114.674   116.004 3.6853  118.736 3.6057  -2.732346      5.155855 
1 1 1 12  6   5  o 96.659  2.3381  1253.15   60.532    1242.62   85.692    1263.63   85.519    96.253  3.3238  97.065  3.2894  -0.8117218     4.676278 
1 1 1 12  6   6  o 215.634 4.2035  6259.34   242.778   6289.25   343.548   6229.50   343.134   216.151 5.9339  215.118 5.9552  1.033157       8.406903 
1 1 1 12  6   7  o 64.463  1.9230  557.130   33.203    563.590   47.158    550.780   46.757    64.834  2.7156  64.093  2.7236  0.7412720      3.846094 
1 1 1 12  6   8  o 138.085 2.9131  2560.76   107.742   2574.02   152.618   2547.58   152.124   138.442 4.1157  137.729 4.1237  0.7136536      5.826166 
1 1 1 12  6   9  o 49.172  1.8250  325.048   23.951    328.771   34.065    321.407   33.683    49.451  2.5808  48.892  2.5812  0.5584641      3.650086 
1 1 1 12  6   10 o 113.550 2.5768  1731.12   78.365    1704.52   110.901   1757.65   110.747   112.677 3.6746  114.424 3.6135  -1.747467      5.153663 
1 1 1 12  6   11 o 109.249 2.4950  1602.44   72.993    1564.63   103.208   1640.28   103.248   107.957 3.5692  110.542 3.4871  -2.585381      4.989920 
1 1 1 12  6   12 o 59.533  1.9284  475.500   30.722    500.827   43.602    450.529   43.295    61.110  2.6638  57.956  2.7890  3.153728       3.856753 
1 1 1 12  6   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  6   14 o 160.176 3.3025  3452.72   141.685   3448.32   200.273   3457.12   200.474   160.074 4.6710  160.278 4.6698  -0.2042084     6.604943 
1 1 1 12  6   15 o 111.873 2.5426  1681.73   76.179    1710.27   107.684   1653.13   107.784   112.827 3.5633  110.920 3.6279  1.906891       5.085116 
1 1 1 12  6   16 o 76.484  2.0976  785.513   42.956    758.407   60.574    812.935   60.926    75.153  3.0092  77.814  2.9232  -2.660576      4.195261 
1 1 1 12  6   17 o 37.622  1.8582  191.114   18.574    204.220   26.323    178.117   26.213    38.923  2.5388  36.321  2.7141  2.602230       3.716402 
1 1 1 12  6   18 o 106.185 2.4843  1518.05   70.652    1491.70   99.655    1544.68   100.181   105.255 3.5348  107.115 3.4918  -1.860077      4.968669 
1 1 1 12  6   19 o 23.855  2.0108  77.610    12.593    79.350    17.872    75.894    17.747    24.128  2.8185  23.582  2.8687  0.5462646      4.021660 
1 1 1 12  6   20 f 111.345 2.5907  1675.69   77.229    1729.01   109.006   1621.97   109.431   113.141 3.5970  109.549 3.7295  3.592911       5.181433 
1 1 1 12  6   21 o 30.139  1.9083  123.446   15.229    127.369   21.367    119.395   21.711    30.641  2.6289  29.638  2.7669  1.002937       3.816642 
1 1 1 12  6   22 o 60.178  2.0030  488.875   32.282    479.017   45.360    498.992   45.952    59.561  2.8433  60.794  2.8220  -1.232883      4.005977 
1 1 1 12  6   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  6   24 o 43.267  1.9300  254.728   22.211    270.125   31.267    239.044   31.558    44.616  2.6280  41.918  2.8272  2.698456       3.860032 
1 1 1 12  6   25 o 11.483  2.3875  16.515    9.0665    1.3138    13.059    30.660    12.597    8.2444  3.4714  14.722  3.2787  -6.477573      4.775013 
1 1 1 12  6   26 o 62.044  2.0457  523.496   33.984    503.691   47.696    543.920   48.434    60.841  2.9268  63.247  2.8590  -2.405853      4.091489 
1 1 1 12  6   27 o 15.783  2.5465  35.562    10.530    33.050    14.658    38.240    15.138    15.194  3.6478  16.372  3.5540  -1.177794      5.092922 
1 1 1 12  6   28 o 23.915  2.1874  79.637    13.664    74.470    19.023    85.144    19.639    23.083  3.1597  24.748  3.0258  -1.664715      4.374836 
1 1 1 12  6   29 o 20.520  2.5668  62.592    13.186    35.617    18.612    89.776    18.684    15.601  4.3108  25.440  2.7877  -9.838631      5.133632 
1 1 1 12  6   30 o 39.025  2.1159  212.081   21.905    196.580   30.781    227.985   31.179    37.523  3.0901  40.526  2.8913  -3.003223      4.231850 
1 1 1 12  6   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  6   32 o 7.9105  2.4133  0.0263    9.3225    -1.3109   12.990    1.4468    13.387    7.6544  3.3446  8.1667  3.4800  -0.5122962     4.826676 
1 1 1 12  6   33 o 17.556  2.7978  47.075    13.120    30.943    18.382    63.825    18.731    14.251  4.3862  20.861  3.4744  -6.610148      5.595563 
1 1 1 12  6   34 f 12.968  2.9657  25.127    11.765    23.157    16.516    27.156    16.763    12.547  4.1884  13.390  4.1998  -0.8429003     5.931340 
1 1 1 12  6   35 o 5.1455  1.7913  -24.2358  8.6639    -22.1823  12.644    -26.0534  11.895    5.3930  2.6366  4.8980  2.4255  0.4950461      3.582572 
1 1 1 12  6   36 o 21.254  2.8655  72.892    15.544    99.720    21.776    45.018    22.196    26.030  3.1901  16.479  4.7612  9.550722       5.731082 
1 1 1 12  6   37 f 6.6608  2.2224  -12.9330  10.316    -9.1872   15.147    -16.1732  14.088    7.1167  3.3054  6.2049  2.9715  0.9118085      4.444775 
1 1 1 12  7   0  o 81.167  2.0555  883.255   44.679    896.064   62.924    870.229   63.452    81.761  2.8733  80.572  2.9402  1.189011       4.111003 
1 1 1 12  7   1  o 132.351 2.8156  2350.74   99.791    2398.07   140.695   2302.83   141.562   133.695 3.9289  131.007 4.0342  2.688034       5.631294 
1 1 1 12  7   2  o 31.628  1.7012  134.908   14.285    126.937   20.134    142.986   20.271    30.676  2.4714  32.580  2.3384  -1.904264      3.402354 
1 1 1 12  7   3  o 180.218 3.6663  4366.63   176.892   4518.00   250.070   4215.04   250.257   183.357 5.0919  177.080 5.2763  6.276657       7.332543 
1 1 1 12  7   4  o 165.796 3.3518  3693.49   148.816   3603.99   210.332   3783.20   210.584   163.778 4.7947  167.813 4.6850  -4.034897      6.703607 
1 1 1 12  7   5  o 144.872 3.0488  2818.82   118.294   2772.93   167.324   2864.68   167.260   143.689 4.3476  146.054 4.2755  -2.364548      6.097661 
1 1 1 12  7   6  o 257.422 4.9751  8944.37   343.031   8929.13   485.287   8959.58   484.952   257.200 7.0443  257.643 7.0273  -0.4429626     9.950170 
1 1 1 12  7   7  o 50.314  1.8331  340.034   24.642    328.069   34.917    351.906   34.782    49.394  2.6488  51.233  2.5346  -1.838760      3.666144 
1 1 1 12  7   8  o 72.826  2.0241  711.676   39.462    688.412   56.031    734.571   55.586    71.642  2.9199  74.010  2.8041  -2.367180      4.048288 
1 1 1 12  7   9  f 211.462 4.1360  6026.12   234.247   6116.33   331.595   5936.26   330.957   213.050 5.8108  209.874 5.8874  3.176727       8.272068 
1 1 1 12  7   10 f 180.022 3.6469  4362.27   175.835   4298.40   248.793   4426.01   248.543   178.698 5.1979  181.346 5.1169  -2.647446      7.293879 
1 1 1 12  7   11 o 123.014 2.7299  2032.55   89.942    2062.64   127.267   2002.52   127.129   123.926 3.8341  122.102 3.8872  1.824226       5.459893 
1 1 1 12  7   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  7   13 o 178.612 3.6337  4297.67   173.838   4314.85   245.828   4280.49   245.860   178.971 5.1281  178.253 5.1495  0.7184753      7.267376 
1 1 1 12  7   14 o 104.590 2.4520  1469.42   68.690    1468.98   97.115    1469.86   97.169    104.574 3.4672  104.605 3.4680  -0.3117371E-01 4.903924 
1 1 1 12  7   15 o 125.556 2.7246  2120.73   91.609    2170.19   129.537   2071.25   129.571   127.027 3.8072  124.085 3.8985  2.942223       5.449153 
1 1 1 12  7   16 o 98.073  2.3944  1293.43   62.892    1272.76   88.901    1314.15   88.986    97.285  3.4117  98.860  3.3605  -1.575279      4.788837 
1 1 1 12  7   17 o 67.304  2.0431  608.830   36.831    607.566   52.178    610.085   51.997    67.233  2.8974  67.374  2.8813  -0.1405716     4.086235 
1 1 1 12  7   18 o 12.857  2.4760  22.973    8.8494    18.527    12.558    27.357    12.472    11.741  3.6273  13.973  3.3712  -2.232348      4.951986 
1 1 1 12  7   19 o 76.949  2.1339  797.792   43.975    809.314   62.027    786.149   62.356    77.512  2.9876  76.386  3.0477  1.126335       4.267809 
1 1 1 12  7   20 o 63.714  1.9863  547.117   33.895    538.788   47.785    555.552   48.086    63.224  2.8217  64.204  2.7962  -0.9797668     3.972527 
1 1 1 12  7   21 o 13.101  2.3849  24.093    8.9475    12.203    12.807    35.432    12.506    10.268  3.6745  15.933  3.0413  -5.664620      4.769875 
1 1 1 12  7   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  7   23 o 29.281  1.9909  117.640   15.309    131.913   21.588    103.200   21.714    31.131  2.6132  27.431  3.0044  3.700043       3.981893 
1 1 1 12  7   24 o 93.928  2.4147  1203.24   60.745    1210.89   85.554    1195.46   86.264    94.242  3.3893  93.615  3.4403  0.6274872      4.829373 
1 1 1 12  7   25 o 22.233  2.2443  68.672    12.955    74.525    18.523    63.068    18.125    23.206  3.0542  21.260  3.2891  1.945864       4.488503 
1 1 1 12  7   26 o 35.076  2.0040  168.603   18.665    170.765   26.366    166.431   26.427    35.309  2.8112  34.843  2.8569  0.4661865      4.008040 
1 1 1 12  7   27 o 9.9509  2.5419  11.142    8.9411    5.6381    12.942    16.167    12.367    8.8959  3.5674  11.006  3.6219  -2.109951      5.083750 
1 1 1 12  7   28 o 18.763  2.5416  50.395    12.301    55.346    17.679    45.749    17.125    19.712  3.4754  17.815  3.7095  1.897163       5.083206 
1 1 1 12  7   29 o 59.491  2.1184  489.775   33.690    475.658   47.209    504.426   48.093    58.567  3.0197  60.414  2.9720  -1.846539      4.236901 
1 1 1 12  7   30 o 20.728  3.6517  62.343    19.533    62.343    19.533    0.0000    0.0000    20.728  3.6517  ?       ?       ?              ?        
1 1 1 12  7   31 o 16.855  2.7981  42.749    12.498    35.183    17.776    50.146    17.575    15.267  4.2105  18.444  3.6864  -3.177222      5.596269 
1 1 1 12  7   32 f 44.104  2.1437  275.636   25.144    283.308   35.178    267.622   35.952    44.798  2.9482  43.409  3.1128  1.389446       4.287313 
1 1 1 12  7   33 o 17.401  2.9281  46.443    13.460    49.341    19.163    43.620    18.909    17.977  4.0740  16.825  4.2070  1.151222       5.856268 
1 1 1 12  7   34 o 26.879  2.4419  106.221   16.956    89.094    23.725    124.104   24.243    24.432  3.7448  29.325  3.1350  -4.893261      4.883847 
1 1 1 12  7   35 o 17.060  3.0223  46.327    13.897    38.672    19.606    54.057    19.701    15.509  4.4730  18.611  4.0658  -3.102377      6.044673 
1 1 1 12  7   36 o 10.202  2.8746  11.739    11.912    7.8293    17.040    15.475    16.659    9.6233  4.0024  10.780  4.1274  -1.157127      5.749295 
1 1 1 12  8   0  o 136.563 2.8809  2504.60   105.291   2613.85   148.563   2394.34   149.247   139.564 3.9742  133.562 4.1719  6.002274       5.761847 
1 1 1 12  8   1  o 72.938  2.0083  713.820   39.200    743.393   55.198    683.727   55.681    74.466  2.7674  71.411  2.9111  3.054764       4.016581 
1 1 1 12  8   2  o 62.988  1.8782  531.905   31.683    534.388   44.535    529.360   45.085    63.137  2.6334  62.839  2.6786  0.2987976      3.756329 
1 1 1 12  8   3  o 104.377 2.4458  1461.58   68.375    1441.97   96.439    1481.41   96.958    103.672 3.4730  105.082 3.4448  -1.409981      4.891659 
1 1 1 12  8   4  o 225.578 4.3925  6855.90   265.376   6746.64   375.100   6965.40   375.496   223.769 6.2583  227.388 6.1652  -3.619263      8.785024 
1 1 1 12  8   5  o 141.506 2.9678  2689.59   112.473   2641.03   159.065   2738.15   159.055   140.225 4.2351  142.788 4.1588  -2.562393      5.935608 
1 1 1 12  8   6  o 165.495 3.4020  3682.45   150.795   3725.50   213.472   3639.57   213.043   166.464 4.7877  164.527 4.8344  1.937180       6.803945 
1 1 1 12  8   7  o 99.269  2.3471  1322.34   62.405    1313.81   88.450    1330.79   88.060    98.949  3.3373  99.589  3.3013  -0.6394882     4.694244 
1 1 1 12  8   8  o 102.603 2.4292  1413.26   66.740    1378.77   94.605    1447.43   94.167    101.353 3.4849  103.853 3.3852  -2.499367      4.858430 
1 1 1 12  8   9  o 187.883 3.7822  4752.81   190.334   4792.46   269.520   4713.37   268.828   188.668 5.3334  187.099 5.3643  1.568848       7.564452 
1 1 1 12  8   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  8   11 f 130.652 2.8207  2293.64   98.706    2273.90   139.742   2313.30   139.442   130.088 4.0105  131.215 3.9675  -1.126755      5.641420 
1 1 1 12  8   12 o 177.184 3.6126  4229.31   171.441   4192.42   242.502   4266.17   242.406   176.407 5.1323  177.961 5.0854  -1.554459      7.225101 
1 1 1 12  8   13 o 125.007 2.7357  2100.86   91.595    2077.49   129.542   2124.23   129.527   124.309 3.8906  125.705 3.8470  -1.396088      5.471402 
1 1 1 12  8   14 o 45.535  1.8670  279.232   22.663    289.140   32.131    269.421   31.971    46.345  2.5989  44.724  2.6812  1.620995       3.734059 
1 1 1 12  8   15 o 109.662 2.5583  1618.34   75.129    1578.80   106.140   1658.04   106.357   108.314 3.6585  111.011 3.5769  -2.696793      5.116567 
1 1 1 12  8   16 o 42.189  1.9153  240.432   21.483    258.005   30.385    222.868   30.378    43.750  2.6047  40.628  2.8088  3.122314       3.830597 
1 1 1 12  8   17 o 57.402  1.9501  443.080   29.981    446.939   42.304    439.186   42.496    57.654  2.7394  57.149  2.7762  0.5052986      3.900244 
1 1 1 12  8   18 o 112.810 2.6081  1719.44   78.806    1711.00   111.285   1727.92   111.614   112.531 3.6921  113.088 3.6848  -0.5572128     5.216262 
1 1 1 12  8   19 o 24.678  1.9873  83.157    12.884    87.987    18.290    78.398    18.154    25.412  2.7299  23.944  2.8889  1.467438       3.974650 
1 1 1 12  8   20 o 31.169  1.9037  132.249   15.660    117.532   22.027    147.287   22.267    29.375  2.8348  32.962  2.5417  -3.586784      3.807350 
1 1 1 12  8   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  8   22 o 43.432  1.9385  256.187   22.434    258.613   31.672    253.744   31.782    43.643  2.7230  43.221  2.7598  0.4222450      3.877000 
1 1 1 12  8   23 o 25.340  2.0816  88.304    13.826    80.995    19.411    95.832    19.698    24.236  3.0582  26.445  2.8247  -2.208124      4.163115 
1 1 1 12  8   24 o 38.750  1.9721  204.933   20.313    215.066   28.772    194.864   28.681    39.727  2.7203  37.773  2.8559  1.954315       3.944125 
1 1 1 12  8   25 f 44.711  1.9664  272.923   23.410    257.638   32.848    288.698   33.371    43.416  2.8404  46.006  2.7202  -2.589874      3.932868 
1 1 1 12  8   26 o 21.528  2.2958  65.010    12.760    57.121    17.841    73.274    18.258    20.108  3.4359  22.947  3.0458  -2.839128      4.591507 
1 1 1 12  8   27 f 41.175  2.0184  233.526   22.112    241.007   31.237    226.013   31.305    41.860  2.8022  40.491  2.9058  1.368748       4.036836 
1 1 1 12  8   28 o 9.9425  2.6963  9.9486    10.035    11.561    14.908    8.6130    13.570    10.352  3.9184  9.5330  3.7049  0.8189211      5.392602 
1 1 1 12  8   29 o 18.906  3.7477  52.164    18.307    52.164    18.307    0.0000    0.0000    18.906  3.7477  ?       ?       ?              ?        
1 1 1 12  8   30 o 9.0541  2.5866  6.2422    9.7069    7.2221    13.720    5.2599    13.736    9.2203  3.6815  8.8878  3.6343  0.3325195      5.173191 
1 1 1 12  8   31 o 53.771  2.1361  407.581   30.604    381.195   42.704    435.441   43.880    51.920  3.0846  55.621  2.9560  -3.700409      4.272298 
1 1 1 12  8   32 o 22.053  2.7236  73.035    15.279    92.624    21.883    54.400    21.343    25.304  3.3079  18.802  4.3277  6.501671       5.447142 
1 1 1 12  8   33 o 36.168  2.2184  187.736   21.264    188.905   29.621    186.494   30.544    36.334  3.0725  36.003  3.2007  0.3308640      4.436784 
1 1 1 12  8   34 o 17.504  2.9371  48.917    14.154    29.326    20.184    67.872    19.854    13.744  4.6300  21.264  3.6152  -7.519550      5.874267 
1 1 1 12  8   35 o 10.838  2.8361  14.639    11.479    5.0486    16.033    24.723    16.441    9.0838  3.8368  12.591  4.1778  -3.507640      5.672273 
1 1 1 12  9   0  o 101.133 2.3450  1373.79   63.411    1461.48   89.445    1285.19   89.910    104.387 3.1990  97.879  3.4295  6.508751       4.689904 
1 1 1 12  9   1  o 99.251  2.3085  1321.87   61.346    1354.96   86.351    1288.15   87.166    100.508 3.2076  97.994  3.3210  2.514771       4.617057 
1 1 1 12  9   2  o 201.628 3.9348  5471.60   212.396   5257.53   299.631   5687.80   301.120   197.647 5.6599  205.609 5.4677  -7.962234      7.869596 
1 1 1 12  9   3  o 166.883 3.4178  3743.73   152.769   3707.69   215.675   3780.02   216.422   166.076 4.8485  167.691 4.8184  -1.615921      6.835540 
1 1 1 12  9   4  o 148.471 3.1085  2961.81   123.600   2898.51   174.549   3025.47   175.046   146.875 4.4369  150.066 4.3549  -3.191193      6.217025 
1 1 1 12  9   5  o 202.094 3.9839  5500.19   215.604   5630.95   305.069   5369.71   304.751   204.506 5.5693  199.681 5.6980  4.824829       7.967701 
1 1 1 12  9   6  o 180.771 3.6526  4397.85   176.814   4287.52   250.119   4508.06   249.985   178.493 5.2316  183.049 5.0987  -4.555267      7.305228 
1 1 1 12  9   7  o 164.445 3.3510  3636.41   147.598   3616.64   208.918   3656.11   208.553   163.996 4.7561  164.893 4.7220  -0.8973389     6.702087 
1 1 1 12  9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  9   9  o 64.203  2.5347  552.044   40.064    561.228   72.501    548.007   48.069    64.486  4.2208  63.919  2.8077  0.5674133      5.069331 
1 1 1 12  9   10 o 153.419 3.1823  3165.59   130.770   3181.94   185.202   3149.34   184.674   153.814 4.4953  153.023 4.5057  0.7914734      6.364660 
1 1 1 12  9   11 o 169.017 3.4303  3846.68   155.291   3838.28   219.794   3855.05   219.435   168.831 4.8604  169.203 4.8418  -0.3719940     6.860542 
1 1 1 12  9   12 o 111.583 2.5505  1673.20   76.228    1672.42   107.916   1673.98   107.690   111.557 3.6116  111.610 3.6024  -0.5303192E-01 5.101045 
1 1 1 12  9   13 f 93.317  2.3401  1170.23   58.487    1186.76   82.818    1153.79   82.607    93.976  3.2902  92.658  3.3285  1.318481       4.680174 
1 1 1 12  9   14 o 77.674  2.1308  810.738   44.330    808.172   62.765    813.292   62.619    77.550  3.0216  77.797  3.0051  -0.2467346     4.261550 
1 1 1 12  9   15 o 121.075 2.7104  1976.16   87.895    1959.05   124.307   1993.27   124.299   120.548 3.8499  121.603 3.8162  -1.055252      5.420811 
1 1 1 12  9   16 o 66.953  2.0668  603.130   37.063    599.032   52.434    607.221   52.395    66.724  2.9339  67.181  2.9118  -0.4568405     4.133499 
1 1 1 12  9   17 f 64.565  2.0231  561.315   34.984    571.293   49.584    551.424   49.366    65.138  2.8419  63.991  2.8802  1.147419       4.046222 
1 1 1 12  9   18 o 90.439  2.3201  1105.02   56.200    1092.38   79.394    1117.72   79.562    89.917  3.2965  90.961  3.2656  -1.044205      4.640176 
1 1 1 12  9   19 o 38.131  1.8811  197.023   19.092    198.702   26.960    195.335   27.039    38.298  2.6444  37.965  2.6762  0.3326797      3.762267 
1 1 1 12  9   20 o 48.201  3.6077  317.530   46.239    0.0000    0.0000    317.530   46.239    ?       ?       48.201  3.6077  ?              ?        
1 1 1 12  9   21 o 55.017  1.9915  410.326   29.279    422.955   41.355    397.633   41.460    55.914  2.7613  54.119  2.8704  1.794800       3.982980 
1 1 1 12  9   22 o 24.045  2.1487  79.882    13.483    85.597    18.927    73.994    19.211    24.966  2.8834  23.123  3.1865  1.843353       4.297372 
1 1 1 12  9   23 o 93.780  2.4220  1202.16   60.793    1251.58   85.877    1152.52   86.073    95.754  3.3484  91.806  3.5003  3.947876       4.843946 
1 1 1 12  9   24 o 21.593  2.3959  66.507    13.050    48.563    18.490    84.320    18.423    18.445  3.8662  24.741  2.8310  -6.296103      4.791815 
1 1 1 12  9   25 o 23.802  2.2285  79.171    13.771    87.749    19.431    70.513    19.521    25.182  2.9360  22.423  3.3532  2.758818       4.456909 
1 1 1 12  9   26 o 28.615  2.1754  113.925   16.365    105.324   23.142    122.528   23.144    27.479  3.2045  29.751  2.9429  -2.272705      4.350811 
1 1 1 12  9   27 o 33.218  2.1468  153.796   18.805    169.324   26.655    138.408   26.535    34.967  2.8713  31.468  3.1924  3.499722       4.293688 
1 1 1 12  9   28 o 19.905  4.6154  59.571    24.129    59.571    24.129    0.0000    0.0000    19.905  4.6154  ?       ?       ?              ?        
1 1 1 12  9   29 o 29.106  2.2874  121.221   17.200    144.703   24.377    97.941    24.272    32.141  2.8615  26.071  3.5695  6.069820       4.574870 
1 1 1 12  9   30 o 31.608  2.2199  141.938   18.527    134.254   25.948    149.929   26.462    30.692  3.2036  32.524  3.0740  -1.832649      4.439871 
1 1 1 12  9   31 o 17.940  2.8408  48.972    13.400    38.808    18.955    59.126    18.946    15.890  4.3338  19.990  3.6739  -4.099692      5.681506 
1 1 1 12  9   32 o 16.754  2.9787  43.284    13.365    45.882    18.980    40.730    18.822    17.282  4.1521  16.226  4.2721  1.056057       5.957431 
1 1 1 12  9   33 o 11.597  2.9926  18.409    12.099    19.734    17.080    17.075    17.141    11.838  4.2427  11.355  4.2215  0.4829578      5.985123 
1 1 1 12  9   34 o 13.248  2.9602  25.595    12.918    42.987    18.682    9.6588    17.883    16.379  4.2292  10.117  4.1429  6.261829       5.920304 
1 1 1 12  10  0  o 162.469 3.3179  3553.09   144.051   3824.94   203.477   3279.95   203.962   168.731 4.5023  156.206 4.8748  12.52484       6.635844 
1 1 1 12  10  1  o 104.391 2.4191  1464.00   67.539    1548.81   95.188    1378.01   95.844    107.446 3.3076  101.336 3.5311  6.109810       4.838269 
1 1 1 12  10  2  o 71.502  2.0041  685.727   38.375    694.107   53.948    677.145   54.598    71.945  2.7995  71.059  2.8686  0.8867645      4.008251 
1 1 1 12  10  3  o 201.784 3.9562  5483.90   213.661   5224.92   301.534   5745.05   302.795   196.974 5.7153  206.593 5.4720  -9.619003      7.912465 
1 1 1 12  10  4  o 219.220 4.2603  6476.74   250.153   6456.00   353.531   6497.54   354.009   218.867 6.0306  219.573 6.0193  -0.7055206     8.520550 
1 1 1 12  10  5  o 41.739  1.8525  234.533   20.603    238.843   29.140    230.224   29.135    42.126  2.5953  41.352  2.6443  0.7738953      3.705088 
1 1 1 12  10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  10  7  o 68.187  2.5036  606.536   42.583    677.089   76.984    575.433   51.114    70.877  4.0722  65.497  2.9136  5.380165       5.007229 
1 1 1 12  10  8  o 92.351  2.3025  1144.56   56.950    1162.56   80.818    1126.82   80.264    93.073  3.2419  91.629  3.2704  1.443718       4.604930 
1 1 1 12  10  9  o 129.038 2.8319  2237.76   97.876    2230.87   138.697   2244.59   138.140   128.838 4.0191  129.237 3.9906  -0.3989868     5.663798 
1 1 1 12  10  10 o 62.156  2.0047  518.286   33.369    532.353   47.559    504.647   46.831    62.987  2.8190  61.325  2.8511  1.662319       4.009397 
1 1 1 12  10  11 o 77.331  2.1553  802.896   44.636    823.338   63.427    782.839   62.828    78.308  3.0240  76.354  3.0721  1.953323       4.310694 
1 1 1 12  10  12 o 107.319 2.5124  1548.88   72.219    1558.67   102.348   1539.18   101.919   107.657 3.5493  106.981 3.5568  0.6760406      5.024798 
1 1 1 12  10  13 o 108.234 2.5376  1577.00   73.536    1632.06   104.219   1522.41   103.773   110.123 3.5333  106.344 3.6432  3.779785       5.075120 
1 1 1 12  10  14 o 82.505  2.1946  915.735   48.498    923.003   68.706    908.518   68.468    82.833  3.0967  82.178  3.1106  0.6541519      4.389261 
1 1 1 12  10  15 o 74.683  2.1282  750.781   42.572    754.691   60.280    746.891   60.130    74.877  3.0056  74.488  3.0138  0.3890076      4.256402 
1 1 1 12  10  16 o 69.227  2.0808  645.864   38.566    625.298   54.640    666.281   54.441    68.121  2.9946  70.333  2.8899  -2.211746      4.161607 
1 1 1 12  10  17 o 64.854  2.0164  567.128   35.028    568.735   49.554    565.522   49.520    64.947  2.8486  64.762  2.8547  0.1846466      4.032895 
1 1 1 12  10  18 o 43.641  3.6704  260.244   42.506    260.244   42.506    0.0000    0.0000    43.641  3.6704  ?       ?       ?              ?        
1 1 1 12  10  19 o 20.597  2.1994  58.740    11.746    57.335    16.805    60.083    16.426    20.335  3.1904  20.860  3.0283  -0.5250607     4.398762 
1 1 1 12  10  20 o 123.366 2.8269  2081.57   93.400    2115.34   131.927   2047.63   132.248   124.394 3.9596  122.338 4.0359  2.055435       5.653889 
1 1 1 12  10  21 o 74.420  2.1695  752.093   43.241    738.878   60.992    765.449   61.314    73.756  3.0874  75.083  3.0488  -1.327515      4.339005 
1 1 1 12  10  22 f 72.566  2.1829  716.756   42.419    732.641   59.963    700.843   60.015    73.384  3.0507  71.747  3.1230  1.637039       4.365703 
1 1 1 12  10  23 o 85.223  2.3079  993.180   52.676    971.913   74.273    1014.71   74.719    84.291  3.2897  86.155  3.2379  -1.863869      4.615857 
1 1 1 12  10  24 o 15.862  2.6442  36.048    11.082    31.294    15.428    41.115    15.927    14.762  3.8588  16.962  3.6163  -2.199692      5.288421 
1 1 1 12  10  25 o 36.444  2.0670  183.178   20.005    181.111   28.350    185.227   28.233    36.229  2.9471  36.658  2.8990  -0.4291382     4.133961 
1 1 1 12  10  26 o 35.962  2.0861  179.507   19.874    191.072   28.013    167.785   28.202    37.183  2.8340  34.740  3.0621  2.443005       4.172266 
1 1 1 12  10  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  10  28 o 23.254  2.4211  77.564    14.529    66.793    20.129    89.280    20.993    21.446  3.6339  25.062  3.2003  -3.616316      4.842258 
1 1 1 12  10  29 o 30.392  2.2997  131.827   18.318    147.869   26.152    116.377   25.665    32.332  3.0561  28.453  3.4373  3.879240       4.599393 
1 1 1 12  10  30 o 18.493  2.8329  52.339    13.745    37.621    19.634    66.485    19.248    15.647  4.4649  21.340  3.4881  -5.692278      5.665868 
1 1 1 12  10  31 o 13.155  2.7110  23.006    11.939    44.846    17.086    2.1711    16.688    17.268  3.7975  9.0424  3.8701  8.225564       5.422021 
1 1 1 12  10  32 o 6.8883  2.2569  -10.3287  9.9814    -15.0994  14.148    -5.6016   14.084    6.4230  3.0483  7.3537  3.3289  -0.9306712     4.513740 
1 1 1 12  10  33 o 9.1420  2.6731  5.8749    10.786    10.250    15.245    1.4900    15.263    9.8049  3.8916  8.4790  3.6657  1.325945       5.346194 
1 1 1 12  11  0  o 219.021 4.2321  6467.13   248.031   6785.52   350.446   6147.57   351.091   224.459 5.8290  213.582 6.1371  10.87708       8.464141 
1 1 1 12  11  1  o 149.131 3.1118  2990.00   124.212   3109.92   175.268   2869.00   176.059   152.148 4.3008  146.114 4.4986  6.033493       6.223684 
1 1 1 12  11  2  o 44.124  1.7963  261.994   21.131    266.427   29.638    257.411   30.135    44.509  2.4961  43.740  2.5837  0.7688255      3.592529 
1 1 1 12  11  3  o 70.225  3.9357  664.313   73.730    664.313   73.730    0.0000    0.0000    70.225  3.9357  ?       ?       ?              ?        
1 1 1 12  11  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  11  5  o 47.985  1.8798  309.764   24.060    317.180   34.026    302.347   34.027    48.564  2.6256  47.406  2.6909  1.157711       3.759553 
1 1 1 12  11  6  o 100.581 2.3987  1358.43   64.582    1302.86   91.300    1414.08   91.365    98.517  3.4599  102.645 3.3232  -4.127953      4.797356 
1 1 1 12  11  7  o 158.194 3.2530  3366.53   137.823   3430.65   195.169   3302.75   194.653   159.703 4.5626  156.686 4.6381  3.016586       6.506093 
1 1 1 12  11  8  o 156.897 3.3208  3313.53   139.555   3318.53   197.673   3308.56   197.051   157.014 4.7002  156.780 4.6925  0.2346954      6.641617 
1 1 1 12  11  9  o 75.745  2.1278  770.115   43.165    787.012   61.322    753.521   60.770    76.570  2.9900  74.920  3.0283  1.649162       4.255650 
1 1 1 12  11  10 o 105.012 2.5282  1482.52   71.109    1496.90   100.842   1468.29   100.288   105.519 3.5680  104.504 3.5828  1.014687       5.056381 
1 1 1 12  11  11 o 100.202 2.4716  1351.37   66.281    1292.12   93.932    1410.13   93.542    98.002  3.5784  102.401 3.4105  -4.399033      4.943282 
1 1 1 12  11  12 o 61.294  2.0652  505.766   33.811    535.026   47.988    476.921   47.645    63.100  2.8393  59.489  2.9998  3.611164       4.130454 
1 1 1 12  11  13 o 140.408 3.0871  2665.32   116.089   2712.54   164.444   2618.41   163.906   141.658 4.3340  139.159 4.3974  2.498611       6.174185 
1 1 1 12  11  14 o 42.255  1.8764  241.063   21.128    240.926   30.057    241.197   29.704    42.241  2.6703  42.269  2.6368  -0.2816391E-01 3.752771 
1 1 1 12  11  15 o 27.215  2.0489  101.535   14.251    131.880   20.688    74.132    19.660    31.212  2.4955  23.219  3.2503  7.993240       4.097779 
1 1 1 12  11  16 o 46.176  1.9110  288.293   23.529    295.462   33.466    281.285   33.087    46.749  2.6840  45.603  2.7212  1.145187       3.822096 
1 1 1 12  11  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  11  18 o 64.689  2.0544  566.059   35.592    556.877   50.400    575.193   50.269    64.159  2.9328  65.218  2.8777  -1.058800      4.108850 
1 1 1 12  11  19 o 61.177  2.0426  506.822   33.459    523.674   47.435    490.133   47.203    62.199  2.8472  60.155  2.9296  2.043621       4.085268 
1 1 1 12  11  20 o 53.563  2.0179  390.099   28.814    411.941   40.884    368.542   40.616    55.077  2.7803  52.048  2.9252  3.028584       4.035758 
1 1 1 12  11  21 o 43.053  1.9719  252.542   22.616    251.492   32.090    253.577   31.878    42.960  2.8042  43.147  2.7731  -0.1866302     3.943801 
1 1 1 12  11  22 o 102.462 2.5685  1443.30   70.439    1505.18   99.619    1381.42   99.613    104.717 3.5517  100.208 3.7113  4.509422       5.136965 
1 1 1 12  11  23 o 32.957  2.0445  149.355   17.860    153.671   25.362    145.109   25.155    33.442  2.8589  32.472  2.9235  0.9704056      4.089039 
1 1 1 12  11  24 o 21.213  2.3957  63.646    13.133    60.196    18.718    66.991    18.430    20.593  3.5201  21.833  3.2507  -1.240694      4.791449 
1 1 1 12  11  25 o 27.541  2.2722  106.230   16.391    116.526   23.485    96.451    22.888    28.905  3.0808  26.177  3.3406  2.728567       4.544328 
1 1 1 12  11  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  11  27 o 64.094  2.2068  574.393   37.880    581.246   53.374    567.438   53.770    64.507  3.0891  63.682  3.1524  0.8251266      4.413626 
1 1 1 12  11  28 o 5.9338  1.9907  -13.9135  8.5675    -19.0200  12.971    -9.9619   11.411    5.7838  2.7903  6.0838  2.8401  -0.3000617     3.981426 
1 1 1 12  11  29 o 38.824  2.1842  213.532   22.525    211.987   31.906    215.068   31.803    38.671  3.1065  38.977  3.0712  -0.3054543     4.368409 
1 1 1 12  11  30 o 23.275  2.5842  79.692    15.578    78.728    21.864    80.686    22.202    23.132  3.6498  23.418  3.6593  -0.2859650     5.168309 
1 1 1 12  11  31 o 9.6022  2.8180  6.3088    11.884    6.6438    17.468    6.0203    16.214    9.7726  4.0574  9.4317  3.9119  0.3409443      5.636067 
1 1 1 12  11  32 o 11.618  2.9845  18.892    12.088    15.281    17.139    22.465    17.051    10.960  4.1888  12.275  4.2525  -1.314487      5.969023 
1 1 1 12  12  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  12  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  12  2  o 167.398 3.4079  3768.47   152.799   3775.59   215.651   3761.28   216.534   167.560 4.8050  167.237 4.8340  0.3222046      6.815805 
1 1 1 12  12  3  o 160.434 3.2857  3460.84   141.178   3393.79   199.158   3528.57   200.157   158.868 4.6803  162.001 4.6128  -3.133362      6.571380 
1 1 1 12  12  4  o 145.520 3.0636  2846.34   119.400   2796.45   168.536   2896.62   169.181   144.236 4.3624  146.804 4.3025  -2.567871      6.127209 
1 1 1 12  12  5  o 124.887 2.7844  2095.54   93.134    2118.90   131.710   2072.18   131.713   125.585 3.9155  124.188 3.9597  1.396774       5.568703 
1 1 1 12  12  6  f 242.653 4.7322  7965.14   307.564   7965.46   435.087   7964.83   434.835   242.657 6.6941  242.648 6.6905  0.8346558E-02  9.464364 
1 1 1 12  12  7  o 120.794 2.7383  1961.62   88.591    1936.96   125.436   1986.15   125.138   120.034 3.9015  121.555 3.8435  -1.521492      5.476685 
1 1 1 12  12  8  o 160.543 3.3211  3473.61   142.808   3494.24   202.232   3453.08   201.690   161.020 4.6890  160.065 4.7043  0.9544830      6.642102 
1 1 1 12  12  9  o 157.200 3.2715  3333.54   137.726   3270.17   194.971   3396.66   194.578   155.697 4.6752  158.703 4.5774  -3.006393      6.542949 
1 1 1 12  12  10 o 163.972 3.3946  3632.83   149.088   3660.95   211.187   3604.89   210.500   164.608 4.7899  163.336 4.8115  1.271851       6.789232 
1 1 1 12  12  11 o 152.061 3.1894  3125.15   129.900   3152.40   184.208   3098.18   183.209   152.723 4.5031  151.399 4.5179  1.323563       6.378825 
1 1 1 12  12  12 o 102.805 2.4887  1424.77   68.523    1448.86   97.242    1401.02   96.573    103.671 3.5019  101.938 3.5369  1.732460       4.977305 
1 1 1 12  12  13 o 39.925  1.8914  215.373   20.108    217.867   28.678    212.961   28.202    40.153  2.6819  39.698  2.6678  0.4546852      3.782872 
1 1 1 12  12  14 o 26.596  1.9941  96.289    13.964    103.699   20.042    89.298    19.467    27.612  2.7463  25.580  2.8921  2.032412       3.988278 
1 1 1 12  12  15 o 22.623  3.9126  71.401    22.850    71.401    22.850    0.0000    0.0000    22.623  3.9126  ?       ?       ?              ?        
1 1 1 12  12  16 o 49.047  2.5695  326.847   30.338    331.944   56.508    324.783   35.961    49.119  4.3397  48.974  2.7525  0.1449165      5.138998 
1 1 1 12  12  17 o 45.241  1.9438  277.539   23.424    292.211   33.394    263.327   32.866    46.432  2.6967  44.049  2.8002  2.383408       3.887573 
1 1 1 12  12  18 o 46.545  1.9533  294.060   24.233    304.884   34.489    283.506   34.058    47.402  2.7279  45.689  2.7965  1.712936       3.906633 
1 1 1 12  12  19 o 18.902  2.3879  50.021    11.592    59.381    16.778    41.470    16.036    20.684  3.1259  17.121  3.6106  3.563414       4.775717 
1 1 1 12  12  20 o 31.520  2.0362  136.077   16.993    133.046   24.178    139.036   23.889    31.158  2.9315  31.882  2.8268  -0.7243366     4.072395 
1 1 1 12  12  21 o 56.100  2.0563  429.669   30.792    433.526   43.705    425.866   43.391    56.352  2.9054  55.848  2.9108  0.5032883      4.112678 
1 1 1 12  12  22 o 38.499  2.0573  203.853   21.007    189.469   29.803    218.054   29.613    37.102  3.0253  39.897  2.7887  -2.794659      4.114541 
1 1 1 12  12  23 o 6.7877  2.1477  -5.2201   8.1519    -9.9025   11.803    -0.9494   11.272    6.2900  2.9203  7.2853  3.1500  -0.9952497     4.295370 
1 1 1 12  12  24 o 14.216  2.7566  29.146    11.249    18.407    15.968    39.725    15.849    11.868  4.1150  16.564  3.6689  -4.696115      5.513110 
1 1 1 12  12  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  12  26 o 33.122  2.2052  155.133   19.108    130.432   26.897    180.301   27.149    30.293  3.3721  35.951  2.8426  -5.658216      4.410364 
1 1 1 12  12  27 o 14.979  2.9226  33.032    12.409    44.267    18.158    23.187    16.998    17.200  4.0145  12.757  4.2486  4.443143       5.845276 
1 1 1 12  12  28 o 35.503  2.2061  178.709   20.753    171.450   29.193    186.125   29.509    34.737  3.1727  36.270  3.0663  -1.533062      4.412230 
1 1 1 12  12  29 o 21.449  2.7482  69.130    14.988    47.356    20.765    92.811    21.655    17.513  4.4250  25.385  3.2603  -7.871479      5.496346 
1 1 1 12  12  30 o 9.7874  2.7698  7.6876    11.357    0.1624    15.939    15.447    16.185    8.5683  3.7251  11.006  4.1001  -2.438190      5.539646 
1 1 1 12  12  31 o 14.911  2.9709  34.234    13.343    52.031    19.185    17.561    18.569    18.293  4.0247  11.529  4.3710  6.764155       5.941722 
1 1 1 12  13  0  o 147.688 3.0474  2931.17   120.542   2955.57   169.929   2906.45   171.020   148.310 4.2777  147.066 4.3416  1.244858       6.094888 
1 1 1 12  13  1  o 195.501 3.8518  5147.32   201.691   5167.80   284.585   5126.65   285.889   195.896 5.4237  195.105 5.4707  0.7908783      7.703561 
1 1 1 12  13  2  o 187.109 3.7173  4714.48   186.246   4570.08   262.637   4860.56   264.154   184.214 5.3228  190.005 5.1904  -5.790192      7.434601 
1 1 1 12  13  3  o 133.999 2.9115  2413.73   104.476   2461.96   147.377   2365.01   148.127   135.351 4.0652  132.647 4.1692  2.703781       5.823030 
1 1 1 12  13  4  o 61.157  1.9711  501.866   32.274    483.459   45.542    520.437   45.742    60.028  2.8325  62.285  2.7419  -2.256924      3.942162 
1 1 1 12  13  5  o 128.707 2.8242  2227.45   97.351    2188.02   137.487   2267.09   137.862   127.561 4.0240  129.853 3.9637  -2.292191      5.648318 
1 1 1 12  13  6  o 28.918  1.9554  113.256   14.961    113.214   21.265    113.298   21.052    28.911  2.7804  28.925  2.7503  -0.1404381E-01 3.910892 
1 1 1 12  13  7  o 94.191  2.3630  1193.08   59.542    1266.33   84.487    1120.81   83.926    97.074  3.2494  91.308  3.4316  5.765480       4.725902 
1 1 1 12  13  8  o 98.419  2.4126  1303.13   63.574    1259.43   89.868    1346.90   89.946    96.760  3.4675  100.077 3.3555  -3.317749      4.825264 
1 1 1 12  13  9  o 86.915  2.3108  1016.25   53.793    1030.39   76.352    1002.32   75.801    87.516  3.2572  86.313  3.2788  1.203117       4.621648 
1 1 1 12  13  10 o 44.826  1.9046  271.049   22.761    271.172   32.326    270.928   32.054    44.835  2.7044  44.818  2.6826  0.1762390E-01  3.809222 
1 1 1 12  13  11 o 104.765 2.5276  1481.41   70.903    1442.49   100.494   1519.98   100.051   103.382 3.6292  106.147 3.5190  -2.764923      5.055157 
1 1 1 12  13  12 o 68.984  2.1093  641.278   38.944    675.504   55.449    607.959   54.710    70.809  2.9236  67.159  3.0414  3.649796       4.218694 
1 1 1 12  13  13 o 100.660 2.4736  1370.61   66.690    1386.43   94.662    1355.02   93.970    101.239 3.4909  100.081 3.5055  1.157524       4.947228 
1 1 1 12  13  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  13  15 o 38.956  1.9376  205.842   20.074    216.300   28.649    195.754   28.136    39.941  2.6937  37.971  2.7859  1.969795       3.875201 
1 1 1 12  13  16 f 40.868  1.9588  226.675   21.306    235.890   30.481    217.871   29.794    41.688  2.7451  40.048  2.7951  1.640858       3.917689 
1 1 1 12  13  17 o 31.817  2.0277  138.576   17.030    127.403   24.302    149.356   23.872    30.512  3.0129  33.121  2.7147  -2.609148      4.055470 
1 1 1 12  13  18 o 60.911  2.0625  503.455   33.643    494.940   47.733    511.860   47.424    60.390  2.9510  61.432  2.8821  -1.042259      4.124927 
1 1 1 12  13  19 o 46.982  2.0137  300.872   25.202    315.830   35.857    286.270   35.429    48.156  2.7919  45.808  2.9025  2.347748       4.027309 
1 1 1 12  13  20 o 33.758  2.0493  156.294   18.348    157.551   26.153    155.076   25.748    33.890  2.9094  33.627  2.8867  0.2628975      4.098507 
1 1 1 12  13  21 o 30.806  2.1567  131.255   17.346    156.050   25.009    108.267   24.081    33.713  2.7947  27.899  3.2855  5.814447       4.313322 
1 1 1 12  13  22 o 10.250  2.5953  10.644    9.8758    -0.7136   14.288    21.034    13.666    8.2374  3.5540  12.264  3.7830  -4.026122      5.190621 
1 1 1 12  13  23 o 39.053  2.0861  211.189   21.657    208.179   30.675    214.180   30.581    38.762  2.9772  39.343  2.9229  -0.5810966     4.172173 
1 1 1 12  13  24 o 17.816  2.7344  46.511    12.678    43.526    17.936    49.491    17.923    17.198  3.9735  18.434  3.7574  -1.235981      5.468742 
1 1 1 12  13  25 o 15.235  2.7988  34.522    11.899    23.133    16.908    45.698    16.750    12.798  4.2362  17.673  3.6590  -4.874346      5.597614 
1 1 1 12  13  26 o 27.254  2.3595  106.285   16.633    126.150   23.927    87.712    23.137    29.898  3.0297  24.609  3.6181  5.288942       4.719059 
1 1 1 12  13  27 o 13.869  2.8242  27.374    11.947    43.320    17.283    12.780    16.534    17.031  3.8758  10.707  4.1088  6.324354       5.648392 
1 1 1 12  13  28 o 26.715  2.5590  105.290   17.399    82.653    24.691    127.619   24.522    23.508  4.0686  29.922  3.1050  -6.413841      5.118066 
1 1 1 12  13  29 o 9.8023  2.7571  7.2412    11.288    -1.4875   15.518    17.049    16.450    8.2600  3.6312  11.345  4.1498  -3.084555      5.514224 
1 1 1 12  13  30 o 13.266  3.0827  26.899    12.900    20.316    18.268    33.448    18.220    11.988  4.3749  14.543  4.3443  -2.554985      6.165424 
1 1 1 12  14  0  o 80.330  2.1185  865.752   45.579    861.043   64.078    870.574   64.846    80.110  2.9863  80.551  3.0056  -0.4411774     4.236916 
1 1 1 12  14  1  o 164.608 3.3684  3647.69   148.472   3731.02   209.429   3563.49   210.516   166.510 4.6958  162.706 4.8305  3.804031       6.736780 
1 1 1 12  14  2  o 27.351  2.0089  101.855   14.413    90.523    20.453    113.034   20.314    25.796  3.0171  28.907  2.6533  -3.110664      4.017783 
1 1 1 12  14  3  o 140.591 2.9749  2659.98   111.920   2515.05   157.611   2807.40   158.955   136.712 4.3042  144.470 4.1078  -7.758133      5.949787 
1 1 1 12  14  4  o 91.668  2.2984  1128.86   56.416    1091.90   79.522    1166.30   80.048    90.153  3.2932  93.182  3.2072  -3.028442      4.596900 
1 1 1 12  14  5  o 114.242 2.6002  1755.55   79.564    1748.43   112.440   1762.69   112.602   114.009 3.6821  114.474 3.6724  -0.4653397     5.200407 
1 1 1 12  14  6  o 61.176  2.0075  502.993   32.850    470.857   46.299    535.573   46.618    59.202  2.9197  63.150  2.7561  -3.948261      4.015049 
1 1 1 12  14  7  o 122.463 2.7497  2021.31   90.182    2060.62   127.651   1982.14   127.421   123.658 3.8540  121.267 3.9229  2.391182       5.499328 
1 1 1 12  14  8  o 24.918  2.0567  84.659    13.459    81.978    19.112    87.297    18.957    24.512  2.9717  25.324  2.8440  -0.8127251     4.113316 
1 1 1 12  14  9  o 36.100  1.9105  176.186   18.333    182.459   26.112    170.087   25.746    36.741  2.6716  35.459  2.7318  1.281857       3.821018 
1 1 1 12  14  10 o 131.058 2.9124  2325.99   102.234   2323.49   144.811   2328.47   144.351   130.984 4.1275  131.131 4.1098  -0.1466827     5.824723 
1 1 1 12  14  11 o 43.094  1.9307  251.024   22.156    263.845   31.658    238.717   31.018    44.183  2.6879  42.005  2.7724  2.177422       3.861490 
1 1 1 12  14  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  14  13 o 32.087  1.9818  139.995   16.807    154.302   24.093    126.434   23.458    33.714  2.6904  30.459  2.9107  3.255116       3.963664 
1 1 1 12  14  14 o 25.640  2.0887  90.074    13.999    101.766   20.107    79.073    19.503    27.307  2.7882  23.973  3.1107  3.333683       4.177367 
1 1 1 12  14  15 o 60.312  2.0612  492.263   33.292    505.604   47.444    479.320   46.728    61.121  2.8980  59.504  2.9319  1.617207       4.122456 
1 1 1 12  14  16 o 54.139  2.0497  398.178   29.608    410.268   42.176    386.431   41.574    54.958  2.8751  53.321  2.9221  1.637249       4.099406 
1 1 1 12  14  17 o 30.632  2.0622  128.344   16.685    138.537   23.965    118.755   23.244    31.839  2.8400  29.425  2.9908  2.413309       4.124360 
1 1 1 12  14  18 o 58.631  2.0916  468.235   32.783    480.256   46.555    456.411   46.172    59.425  2.9249  57.837  2.9907  1.587185       4.183208 
1 1 1 12  14  19 o 40.095  2.0595  220.410   21.944    212.058   31.262    228.523   30.811    39.317  2.9910  40.872  2.8319  -1.555191      4.118939 
1 1 1 12  14  20 o 42.216  2.0596  244.780   23.140    241.328   32.969    248.131   32.485    41.906  2.9562  42.526  2.8686  -0.6205864     4.119270 
1 1 1 12  14  21 o 51.236  2.1002  361.736   28.681    352.157   40.850    371.048   40.277    50.535  3.0320  51.937  2.9069  -1.401821      4.200391 
1 1 1 12  14  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  14  23 o 13.473  2.4249  24.212    10.976    -2.6567   15.779    49.404    15.279    8.3340  3.6627  18.613  3.1788  -10.27891      4.849796 
1 1 1 12  14  24 f 12.691  2.7559  21.548    11.189    35.913    16.107    8.1479    15.556    15.576  3.8761  9.8060  3.9185  5.770508       5.511714 
1 1 1 12  14  25 o 11.112  2.8057  15.074    10.864    22.530    15.633    8.1084    15.109    12.546  4.0694  9.6769  3.8636  2.869346       5.611373 
1 1 1 12  14  26 o 13.630  2.9805  27.427    11.991    29.538    17.315    25.482    16.621    14.068  4.2424  13.192  4.1875  0.8760757      5.961006 
1 1 1 12  14  27 o 34.551  2.3075  170.727   21.099    173.357   29.868    168.107   29.809    34.835  3.2382  34.267  3.2882  0.5681496      4.614989 
1 1 1 12  14  28 o 29.630  2.4749  128.199   19.132    145.055   27.476    112.335   26.656    31.682  3.2856  27.579  3.7021  4.103003       4.949809 
1 1 1 12  14  29 o 12.617  3.0875  23.790    12.724    22.197    17.981    25.389    18.010    12.312  4.3594  12.922  4.3734  -0.6091805     6.175051 
1 1 1 12  15  0  o 122.668 2.7135  2023.44   89.123    2073.41   125.579   1972.73   126.505   124.202 3.7749  121.134 3.8990  3.067657       5.426939 
1 1 1 12  15  1  o 71.834  2.0528  692.866   39.486    708.003   55.664    677.534   56.020    72.627  2.8615  71.042  2.9440  1.584671       4.105527 
1 1 1 12  15  2  o 65.975  2.0228  584.664   35.727    602.488   50.324    566.550   50.730    66.992  2.8046  64.957  2.9158  2.035011       4.045652 
1 1 1 12  15  3  o 85.863  2.2391  991.206   51.466    1023.97   72.524    957.967   73.047    87.299  3.1016  84.427  3.2302  2.872009       4.478210 
1 1 1 12  15  4  o 37.219  1.9484  187.062   19.284    189.732   27.320    184.411   27.225    37.487  2.7399  36.951  2.7709  0.5356941      3.896778 
1 1 1 12  15  5  o 151.422 3.2015  3097.41   129.848   3095.73   183.494   3099.09   183.772   151.382 4.5254  151.463 4.5299  -0.8096313E-01 6.403044 
1 1 1 12  15  6  f 25.253  2.0593  87.548    13.500    101.018   19.007    73.833    19.178    27.293  2.6326  23.212  3.1673  4.081087       4.118536 
1 1 1 12  15  7  f 128.621 2.8641  2235.77   98.666    2210.91   139.562   2260.60   139.508   127.899 4.0739  129.342 4.0269  -1.442833      5.728210 
1 1 1 12  15  8  o 88.529  2.2854  1056.86   54.169    1019.84   76.516    1094.06   76.696    86.964  3.2849  90.093  3.1783  -3.128647      4.570780 
1 1 1 12  15  9  o 73.771  2.1371  733.814   42.222    749.436   59.785    718.269   59.638    74.559  2.9936  72.983  3.0508  1.576073       4.274243 
1 1 1 12  15  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  15  11 o 35.172  1.9791  167.952   18.485    168.074   26.482    167.836   25.813    35.178  2.8346  35.165  2.7628  0.1313782E-01  3.958287 
1 1 1 12  15  12 o 89.180  2.3658  1078.04   56.508    1072.16   80.196    1083.85   79.635    88.931  3.3668  89.428  3.3246  -0.4971390     4.731589 
1 1 1 12  15  13 o 52.746  2.0323  377.703   28.567    357.832   40.508    397.363   40.293    51.341  2.9583  54.151  2.7875  -2.810139      4.064624 
1 1 1 12  15  14 o 39.141  2.0044  208.334   20.858    218.736   29.753    198.282   29.248    40.117  2.7863  38.166  2.8824  1.950928       4.008896 
1 1 1 12  15  15 o 64.552  2.1157  565.374   36.579    563.640   51.977    567.076   51.487    64.449  3.0110  64.655  2.9731  -0.2067490     4.231474 
1 1 1 12  15  16 o 62.144  2.1124  524.745   35.159    531.552   50.088    518.134   49.364    62.540  2.9901  61.747  2.9847  0.7928200      4.224814 
1 1 1 12  15  17 o 43.030  2.0381  252.980   23.315    271.487   33.235    235.045   32.717    44.612  2.7955  41.449  2.9665  3.162769       4.076166 
1 1 1 12  15  18 o 21.069  2.4519  62.379    13.342    66.750    19.266    58.350    18.495    21.809  3.4098  20.330  3.5243  1.479271       4.903826 
1 1 1 12  15  19 o 36.488  2.1065  183.460   20.394    182.928   29.351    183.955   28.357    36.416  3.0368  36.559  2.9202  -0.1422501     4.213012 
1 1 1 12  15  20 o 57.610  2.1586  457.894   33.188    457.259   47.175    458.516   46.699    57.561  3.0709  57.660  3.0344  -0.9930801E-01 4.317169 
1 1 1 12  15  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  15  22 o 35.040  2.2064  171.888   20.394    192.701   29.292    152.308   28.410    37.185  2.9656  32.895  3.2678  4.290714       4.412818 
1 1 1 12  15  23 o 61.413  2.2268  528.320   36.505    532.036   51.782    524.648   51.472    61.629  3.1474  61.196  3.1509  0.4331779      4.453546 
1 1 1 12  15  24 o 33.156  2.2707  156.694   19.701    135.708   28.161    176.810   27.571    30.799  3.4744  35.513  2.9245  -4.714241      4.541381 
1 1 1 12  15  25 o 8.7117  2.5705  3.4695    10.043    6.1570    13.958    0.5849    14.461    9.0801  3.6823  8.3432  3.5875  0.7369080      5.140941 
1 1 1 12  15  26 o 13.325  2.8204  22.830    12.597    45.674    18.368    2.5468    17.309    17.385  4.0242  9.2657  3.9528  8.118796       5.640858 
1 1 1 12  15  27 o 16.683  3.0468  43.658    13.763    38.399    20.493    47.978    18.576    15.640  4.5912  17.726  4.0067  -2.085969      6.093657 
1 1 1 12  15  28 o 20.799  2.9313  67.318    15.754    62.412    22.185    72.308    22.374    19.918  4.2855  21.680  4.0004  -1.762096      5.862504 
1 1 1 12  16  0  o 89.162  2.2633  1069.59   53.977    1126.98   76.011    1011.22   76.663    91.587  3.0985  86.737  3.2998  4.849998       4.526564 
1 1 1 12  16  1  o 116.349 2.6189  1821.86   81.612    1803.78   114.835   1840.31   116.007   115.766 3.7034  116.933 3.7039  -1.166512      5.237764 
1 1 1 12  16  2  o 77.933  2.1704  816.691   45.293    833.661   63.788    799.434   64.323    78.754  3.0240  77.112  3.1143  1.642166       4.340882 
1 1 1 12  16  3  o 123.167 2.7486  2045.34   90.672    2049.84   127.766   2040.78   128.699   123.307 3.8684  123.026 3.9056  0.2807541      5.497129 
1 1 1 12  16  4  o 116.372 2.6478  1826.31   82.522    1788.85   116.304   1864.28   117.107   115.165 3.7704  117.579 3.7185  -2.414375      5.295529 
1 1 1 12  16  5  o 50.581  1.9341  345.127   26.101    352.479   36.903    337.769   36.922    51.126  2.7045  50.037  2.7656  1.089161       3.868170 
1 1 1 12  16  6  o 70.046  2.0913  660.814   39.232    671.862   55.533    649.806   55.433    70.633  2.9353  69.458  2.9796  1.174858       4.182572 
1 1 1 12  16  7  o 91.742  2.3508  1136.38   57.761    1119.68   81.670    1153.09   81.703    91.062  3.3484  92.421  3.3005  -1.359406      4.701598 
1 1 1 12  16  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  16  9  o 87.670  2.3137  1039.68   54.330    1040.79   76.926    1038.57   76.742    87.716  3.2742  87.624  3.2698  0.9241486E-01  4.627330 
1 1 1 12  16  10 o 50.250  1.9808  341.981   26.553    338.977   37.647    344.955   37.456    50.025  2.8211  50.474  2.7813  -0.4484940     3.961618 
1 1 1 12  16  11 o 45.595  1.9853  281.871   24.119    292.652   34.423    271.474   33.803    46.461  2.7789  44.730  2.8361  1.730225       3.970613 
1 1 1 12  16  12 o 22.235  2.2643  68.465    12.986    79.428    18.651    58.149    18.093    24.047  2.9580  20.422  3.4291  3.625097       4.528667 
1 1 1 12  16  13 o 39.177  2.0148  209.177   20.967    199.107   29.883    218.940   29.425    38.222  2.9416  40.132  2.7541  -1.910294      4.029630 
1 1 1 12  16  14 o 11.333  2.6558  16.378    9.5386    21.345    13.736    11.751    13.256    12.446  3.7843  10.220  3.7273  2.225899       5.311615 
1 1 1 12  16  15 o 53.801  2.0903  394.739   30.001    391.656   42.735    397.735   42.128    53.582  2.9896  54.020  2.9225  -0.4372978     4.180700 
1 1 1 12  16  16 o 24.419  2.3780  83.547    14.628    110.823   21.313    59.255    20.114    28.403  2.8396  20.434  3.8152  7.969143       4.755919 
1 1 1 12  16  17 o 36.951  2.0687  187.573   20.304    186.531   28.895    188.589   28.537    36.841  2.9530  37.062  2.8978  -0.2213478     4.137308 
1 1 1 12  16  18 o 36.659  2.1678  186.051   21.037    175.281   30.112    196.321   29.403    35.566  3.1950  37.752  2.9307  -2.186264      4.335550 
1 1 1 12  16  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  16  20 o 10.165  2.7345  10.751    10.382    7.4791    14.870    13.863    14.501    9.6081  3.8339  10.722  3.9002  -1.114254      5.469057 
1 1 1 12  16  21 o 18.477  2.7792  49.910    13.348    59.288    19.468    41.589    18.337    20.207  3.7343  16.747  4.1170  3.460684       5.558330 
1 1 1 12  16  22 f 56.970  2.2082  454.403   33.560    466.957   47.847    442.245   47.084    57.761  3.1041  56.178  3.1416  1.582390       4.416468 
1 1 1 12  16  23 o 34.311  2.2531  166.360   20.466    169.226   29.263    163.616   28.635    34.598  3.1938  34.023  3.1790  0.5742569      4.506250 
1 1 1 12  16  24 o 24.436  2.5623  86.843    16.217    84.613    23.589    88.841    22.332    24.049  3.7874  24.824  3.4522  -0.7752552     5.124671 
1 1 1 12  16  25 o 22.145  2.8126  73.154    16.061    77.579    22.957    68.912    22.477    22.863  3.8879  21.426  4.0653  1.437315       5.625176 
1 1 1 12  16  26 o 19.428  2.9322  58.315    14.817    67.018    20.738    49.237    21.179    21.140  3.8022  17.717  4.4649  3.423227       5.864460 
1 1 1 12  17  0  o 82.306  2.1616  911.427   47.629    937.855   67.046    884.504   67.673    83.518  2.9971  81.095  3.1155  2.423187       4.323116 
1 1 1 12  17  1  o 47.492  1.8962  304.148   24.016    310.421   33.841    297.784   34.086    47.991  2.6429  46.992  2.7197  0.9987526      3.792318 
1 1 1 12  17  2  o 99.930  2.3884  1345.37   63.912    1304.41   89.865    1387.29   90.914    98.385  3.4101  101.475 3.3449  -3.089432      4.776766 
1 1 1 12  17  3  o 22.000  2.1354  66.489    12.224    62.729    17.441    70.119    17.136    21.355  3.1432  22.644  2.8913  -1.289125      4.270729 
1 1 1 12  17  4  o 43.364  1.8925  254.099   21.832    234.833   30.667    273.897   31.087    41.678  2.7628  45.049  2.5872  -3.371353      3.785011 
1 1 1 12  17  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  17  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  17  7  o 40.230  1.9208  219.135   20.563    208.514   28.799    230.181   29.370    39.224  2.7587  41.236  2.6735  -2.011055      3.841654 
1 1 1 12  17  8  o 57.050  2.0099  440.221   30.632    419.005   43.212    461.652   43.430    55.619  2.9107  58.482  2.7726  -2.862835      4.019883 
1 1 1 12  17  9  o 34.018  1.9751  157.362   17.837    156.086   25.238    158.635   25.212    33.877  2.8067  34.159  2.7796  -0.2823105     3.950168 
1 1 1 12  17  10 o 58.746  2.0731  467.709   32.528    493.077   46.203    442.778   45.804    60.380  2.8569  57.111  3.0048  3.268364       4.146164 
1 1 1 12  17  11 o 47.718  2.0184  309.873   25.610    285.440   36.289    334.117   36.148    45.806  2.9739  49.631  2.7297  -3.824982      4.036749 
1 1 1 12  17  12 o 24.457  2.2412  83.232    14.131    69.190    20.030    97.145    19.938    22.284  3.4687  26.630  2.8391  -4.346149      4.482438 
1 1 1 12  17  13 o 44.283  2.0511  267.511   24.178    259.047   34.392    275.781   33.996    43.570  2.9646  44.996  2.8353  -1.426476      4.102176 
1 1 1 12  17  14 o 26.691  2.2234  98.346    15.576    103.715   22.356    93.282    21.714    27.419  3.0985  25.963  3.1896  1.455982       4.446831 
1 1 1 12  17  15 o 24.129  2.2842  81.036    14.371    80.608    20.826    81.424    19.856    24.041  3.3231  24.216  3.1348  -0.1751633     4.568335 
1 1 1 12  17  16 o 33.953  2.1657  159.335   19.441    148.811   27.556    169.764   27.432    32.789  3.1774  35.117  2.9436  -2.328346      4.331358 
1 1 1 12  17  17 o 32.488  2.2034  146.411   18.902    157.559   26.993    135.684   26.478    33.746  3.0182  31.230  3.2110  2.515768       4.406826 
1 1 1 12  17  18 o 4.4631  2.2246  -27.3275  10.674    0.0000    0.0000    -27.3275  10.674    ?       ?       4.4631  2.2246  ?              ?        
1 1 1 12  17  19 o 51.733  2.1821  372.183   30.098    374.192   42.827    370.222   42.307    51.865  3.0971  51.602  3.0750  0.2631798      4.364300 
1 1 1 12  17  20 o 35.926  2.2278  181.678   21.081    160.242   29.819    203.097   29.807    33.681  3.3498  38.171  2.9380  -4.490261      4.455657 
1 1 1 12  17  21 o 30.576  2.3253  132.367   18.731    138.980   26.868    126.115   26.126    31.346  3.2472  29.806  3.3293  1.539583       4.650660 
1 1 1 12  17  22 o 24.066  2.6833  85.298    16.302    62.389    22.822    109.167   23.295    20.393  4.3128  27.738  3.1937  -7.344692      5.366594 
1 1 1 12  17  23 o 25.376  2.6744  94.825    17.175    71.031    23.976    119.903   24.614    21.742  4.2694  29.010  3.2222  -7.267580      5.348853 
1 1 1 12  17  24 o 21.229  2.9020  67.888    15.900    68.789    22.775    67.032    22.208    21.354  4.1313  21.103  4.0766  0.2510681      5.803971 
1 1 1 12  17  25 o 19.454  3.0113  58.594    15.255    57.398    21.524    59.800    21.624    19.232  4.2878  19.675  4.2292  -0.4433136     6.022516 
1 1 1 12  18  0  o 73.566  2.0888  728.510   41.157    723.839   57.978    733.254   58.435    73.328  2.9519  73.803  2.9560  -0.4748154     4.177523 
1 1 1 12  18  1  o 52.754  1.9056  375.101   26.835    350.478   37.713    400.352   38.191    50.954  2.7737  54.554  2.6136  -3.599632      3.811123 
1 1 1 12  18  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  18  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  18  4  f 19.739  2.2527  54.107    11.427    62.535    16.299    45.960    16.025    21.335  2.9295  18.143  3.4230  3.191710       4.505403 
1 1 1 12  18  5  o 13.116  2.5672  24.027    9.3591    21.429    13.290    26.583    13.183    12.482  3.7060  13.751  3.5536  -1.268409      5.134469 
1 1 1 12  18  6  o 33.543  1.9831  152.938   17.652    150.044   24.892    155.867   25.036    33.218  2.8244  33.868  2.7845  -0.6499405     3.966184 
1 1 1 12  18  7  o 22.603  2.2449  71.356    12.905    54.739    18.183    88.220    18.318    19.788  3.5616  25.417  2.7336  -5.629688      4.489740 
1 1 1 12  18  8  o 53.344  2.0196  386.188   28.713    408.743   40.627    363.679   40.586    54.925  2.7705  51.763  2.9394  3.162540       4.039284 
1 1 1 12  18  9  o 46.890  2.0047  298.842   25.012    277.449   35.266    320.494   35.478    45.172  2.9306  48.608  2.7361  -3.436012      4.009305 
1 1 1 12  18  10 o 47.564  2.0092  307.529   25.480    308.408   35.955    306.643   36.113    47.635  2.8308  47.492  2.8521  0.1420479      4.018426 
1 1 1 12  18  11 o 30.042  2.1005  123.669   16.638    134.786   23.828    113.093   23.241    31.395  2.8652  28.689  3.0723  2.706041       4.200998 
1 1 1 12  18  12 o 33.364  2.0930  152.601   18.500    147.744   26.215    157.418   26.110    32.817  3.0161  33.912  2.9026  -1.094604      4.185933 
1 1 1 12  18  13 o 7.2270  2.1113  -5.3353   7.9495    -21.8771  11.488    9.8659    11.012    5.1237  2.5067  9.3304  3.3980  -4.206685      4.222556 
1 1 1 12  18  14 o 17.735  2.6407  46.452    12.542    22.099    17.742    70.782    17.733    12.901  4.3408  22.570  3.0083  -9.668686      5.281394 
1 1 1 12  18  15 o 22.117  2.5197  69.166    14.413    70.908    20.765    67.547    20.022    22.385  3.5843  21.850  3.5425  0.5352764      5.039495 
1 1 1 12  18  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  18  17 o 38.505  2.1784  206.315   22.261    198.663   31.620    213.835   31.345    37.758  3.1555  39.252  3.0041  -1.493969      4.356807 
1 1 1 12  18  18 o 16.898  2.7768  42.647    13.018    21.478    18.449    63.641    18.373    12.675  4.4216  21.120  3.3603  -8.445158      5.553565 
1 1 1 12  18  19 o 8.2566  2.5075  0.2905    9.9784    -1.1664   14.446    1.6200    13.800    8.1462  3.5440  8.3670  3.5482  -0.2208223     5.014905 
1 1 1 12  18  20 o 27.566  2.3923  107.915   17.263    115.587   25.252    101.184   23.654    28.498  3.3736  26.633  3.3928  1.864771       4.784630 
1 1 1 12  18  21 o 11.505  2.8956  16.695    11.627    8.7993    16.877    23.828    16.040    10.153  4.0728  12.857  4.1172  -2.704856      5.791297 
1 1 1 12  18  22 o 19.845  2.9854  59.305    15.469    76.423    22.488    43.928    21.314    22.793  3.8185  16.898  4.5901  5.895155       5.970775 
1 1 1 12  18  23 o 24.696  2.7662  91.682    17.316    113.116   24.516    70.341    24.463    27.986  3.3362  21.406  4.4133  6.580620       5.532387 
1 1 1 12  18  24 o 15.169  3.0775  35.511    14.066    19.392    19.829    51.836    19.956    12.056  4.5289  18.281  4.1679  -6.225050      6.154923 
1 1 1 12  19  0  o 26.958  4.0422  100.673   28.288    0.0000    0.0000    100.673   28.288    ?       ?       26.958  4.0422  ?              ?        
1 1 1 12  19  1  o 33.949  1.9163  156.533   17.184    137.279   24.075    176.531   24.535    31.780  2.8588  36.117  2.5526  -4.337217      3.832574 
1 1 1 12  19  2  o 44.584  1.9105  269.051   22.698    276.291   32.005    261.724   32.196    45.198  2.6554  43.971  2.7474  1.227028       3.820926 
1 1 1 12  19  3  o 56.741  1.9799  435.072   30.023    417.298   42.255    453.192   42.665    55.527  2.8507  57.956  2.7484  -2.429146      3.959831 
1 1 1 12  19  4  o 34.039  1.9461  157.513   17.574    150.330   24.899    164.645   24.810    33.247  2.8226  34.830  2.6799  -1.582611      3.892195 
1 1 1 12  19  5  o 61.576  2.0731  513.954   34.064    549.585   48.158    478.275   48.189    63.775  2.8192  59.376  3.0403  4.399242       4.146196 
1 1 1 12  19  6  o 47.148  1.9947  301.614   25.066    311.789   35.579    291.586   35.319    47.949  2.7823  46.348  2.8591  1.601139       3.989391 
1 1 1 12  19  7  o 88.582  2.3389  1065.84   55.494    1058.29   78.318    1073.45   78.644    88.265  3.3127  88.899  3.3028  -0.6337051     4.677871 
1 1 1 12  19  8  o 24.966  2.2547  86.754    14.449    104.536   20.516    69.255    20.353    27.646  2.8097  22.286  3.5270  5.359974       4.509305 
1 1 1 12  19  9  o 33.035  2.0373  149.144   17.836    154.923   25.310    143.443   25.139    33.686  2.8314  32.383  2.9300  1.303207       4.074502 
1 1 1 12  19  10 o 47.940  2.0501  313.522   26.165    293.508   36.822    333.934   37.186    46.365  2.9808  49.516  2.8154  -3.151379      4.100249 
1 1 1 12  19  11 o 11.671  2.7242  17.698    10.033    22.615    14.353    12.999    14.030    12.752  3.8663  10.591  3.8388  2.160616       5.448325 
1 1 1 12  19  12 o 7.6639  2.2595  -2.0920   8.4933    -13.5630  12.167    8.8101    11.861    6.0572  2.8604  9.2707  3.4986  -3.213572      4.519035 
1 1 1 12  19  13 o 19.812  2.7008  56.634    13.746    79.706    19.952    35.787    18.965    23.897  3.1972  15.728  4.3538  8.169768       5.401579 
1 1 1 12  19  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  19  15 o 19.586  2.7507  55.552    13.915    63.252    19.915    48.207    19.450    21.012  3.6722  18.159  4.0964  2.853127       5.501369 
1 1 1 12  19  16 o 35.713  2.2363  178.434   21.131    168.549   30.058    188.094   29.713    34.674  3.2753  36.752  3.0459  -2.077892      4.472670 
1 1 1 12  19  17 o 39.111  2.2132  213.900   22.960    228.508   32.826    199.908   32.125    40.466  3.0510  37.756  3.2070  2.710537       4.426435 
1 1 1 12  19  18 o 31.446  2.3655  140.371   19.376    164.813   27.744    117.100   27.072    34.291  3.0526  28.601  3.6144  5.689260       4.731030 
1 1 1 12  19  19 o 13.150  3.0459  24.708    12.376    23.862    17.727    25.512    17.286    12.997  4.3392  13.304  4.2756  -0.3070717     6.091764 
1 1 1 12  19  20 o 28.327  2.5723  115.996   18.821    136.592   27.012    96.561    26.240    30.980  3.3064  25.675  3.9415  5.305027       5.144685 
1 1 1 12  19  21 o 16.605  3.1365  42.016    14.523    53.955    20.908    30.885    20.187    18.858  4.2419  14.353  4.6212  4.505581       6.272956 
1 1 1 12  19  22 o 12.364  3.0210  19.911    13.080    6.5790    18.427    33.451    18.570    9.9933  4.1597  14.736  4.3822  -4.742223      6.042073 
1 1 1 12  20  0  f 16.267  2.4782  37.477    10.512    29.939    14.938    44.871    14.795    14.580  3.7901  17.953  3.1938  -3.373035      4.956305 
1 1 1 12  20  1  f 22.186  2.2017  68.185    12.567    56.500    17.638    80.232    17.909    20.155  3.3875  24.218  2.8134  -4.062866      4.403406 
1 1 1 12  20  2  f 6.7719  2.1065  -3.0181   7.3871    -4.5810   10.047    -1.1791   10.899    6.3599  2.8511  7.1839  3.1017  -0.8240347     4.213006 
1 1 1 12  20  3  o 80.825  2.2115  884.727   47.874    873.656   67.335    896.044   68.080    80.313  3.1302  81.337  3.1249  -1.024040      4.423044 
1 1 1 12  20  4  o 56.638  2.0149  434.475   30.509    425.958   43.064    443.057   43.230    56.039  2.8788  57.237  2.8198  -1.198162      4.029717 
1 1 1 12  20  5  o 34.498  1.9959  162.387   18.156    185.512   25.975    140.295   25.387    36.956  2.6416  32.041  2.9928  4.914219       3.991832 
1 1 1 12  20  6  o 25.196  2.1506  87.336    14.212    83.856    19.961    90.913    20.238    24.670  3.0886  25.722  2.9935  -1.052565      4.301184 
1 1 1 12  20  7  o 29.676  2.0965  120.767   16.430    116.511   23.280    124.991   23.190    29.135  3.0274  30.216  2.9009  -1.081219      4.192926 
1 1 1 12  20  8  o 56.189  2.0652  429.790   31.002    412.309   43.732    447.451   43.957    54.984  2.9806  57.394  2.8594  -2.409931      4.130374 
1 1 1 12  20  9  o 65.681  2.1521  588.218   37.848    569.686   53.423    606.893   53.628    64.625  3.0863  66.736  3.0001  -2.110451      4.304195 
1 1 1 12  20  10 o 23.635  2.3660  78.272    14.496    84.512    20.299    71.779    20.708    24.671  3.1432  22.598  3.5373  2.073847       4.732068 
1 1 1 12  20  11 o 9.3119  2.5968  7.1025    9.5815    9.3641    12.878    4.2984    14.340    9.5952  3.6395  9.0286  3.7051  0.5665379      5.193645 
1 1 1 12  20  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  20  13 o 30.587  2.2991  131.564   18.305    110.632   25.946    152.307   25.829    28.010  3.5371  33.164  2.9381  -5.153940      4.598235 
1 1 1 12  20  14 o 24.910  2.4870  88.563    15.957    75.231    22.555    101.924   22.579    22.871  3.8164  26.950  3.1898  -4.079325      4.973938 
1 1 1 12  20  15 o 25.083  2.5597  91.605    16.145    66.923    22.902    115.990   22.764    21.360  4.1525  28.805  2.9942  -7.444984      5.119448 
1 1 1 12  20  16 o 12.553  2.8410  20.859    11.690    7.8576    16.582    33.704    16.482    9.9993  4.0280  15.107  4.0075  -5.107483      5.681943 
1 1 1 12  20  17 f 18.099  2.8944  48.742    13.768    57.433    19.574    40.232    19.369    19.813  3.8271  16.386  4.3431  3.426962       5.788736 
1 1 1 12  20  18 o 19.116  2.9168  54.463    14.487    53.012    20.918    55.801    20.083    18.812  4.2515  19.419  3.9943  -0.6073990     5.833525 
1 1 1 12  20  19 o 12.603  2.4909  11.950    12.583    -24.7494  17.603    50.293    17.993    6.7586  3.2581  18.448  3.7688  -11.68936      4.981892 
1 1 1 12  20  20 o 12.121  3.1110  19.476    13.092    22.868    18.675    16.198    18.359    12.729  4.4480  11.512  4.3506  1.217314       6.221922 
1 1 1 12  20  21 o 14.696  4.6498  33.642    20.506    33.642    20.506    0.0000    0.0000    14.696  4.6498  ?       ?       ?              ?        
1 1 1 12  21  0  o 64.060  2.0467  554.926   35.118    553.848   49.501    556.018   49.831    63.999  2.8877  64.122  2.9014  -0.1223106     4.093484 
1 1 1 12  21  1  o 16.208  2.5733  37.118    10.895    36.656    15.193    37.607    15.632    16.107  3.6110  16.310  3.6673  -0.2033653     5.146628 
1 1 1 12  21  2  o 27.381  2.0773  102.598   14.990    98.924    20.957    106.446   21.451    26.869  2.9611  27.893  2.9143  -1.023975      4.154638 
1 1 1 12  21  3  o 38.664  1.9791  203.367   20.355    199.297   28.614    207.537   28.960    38.267  2.8114  39.060  2.7864  -0.7925682     3.958243 
1 1 1 12  21  4  o 47.439  1.9912  305.998   25.187    304.732   35.653    307.259   35.586    47.338  2.8247  47.539  2.8072  -0.2009735     3.982372 
1 1 1 12  21  5  o 70.872  2.1621  683.057   41.034    692.476   57.719    673.433   58.348    71.380  3.0189  70.365  3.0958  1.014862       4.324129 
1 1 1 12  21  6  o 13.683  2.7069  26.331    10.435    20.858    14.651    31.967    14.866    12.389  3.9314  14.977  3.7221  -2.587958      5.413812 
1 1 1 12  21  7  o 54.420  2.0832  404.694   30.220    383.338   42.643    426.240   42.832    52.946  3.0195  55.893  2.8707  -2.947426      4.166342 
1 1 1 12  21  8  o 26.466  2.2854  97.380    15.814    105.381   22.416    89.451    22.314    27.606  3.0844  25.326  3.3733  2.279409       4.570799 
1 1 1 12  21  9  o 19.432  2.7230  53.930    13.661    45.343    18.881    63.363    19.789    17.717  4.0651  21.147  3.6242  -3.430702      5.446077 
1 1 1 12  21  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  21  11 o 49.977  2.1524  345.012   28.672    337.858   40.382    352.284   40.716    49.443  3.0644  50.512  3.0233  -1.068817      4.304732 
1 1 1 12  21  12 o 54.312  2.1944  408.985   31.785    399.347   44.711    418.832   45.193    53.651  3.1249  54.974  3.0816  -1.323299      4.388771 
1 1 1 12  21  13 o 36.307  2.2397  184.381   21.519    171.733   30.337    197.188   30.529    34.992  3.2749  37.621  3.0561  -2.628448      4.479338 
1 1 1 12  21  14 o 27.630  2.3681  108.100   17.083    96.548    23.890    120.185   24.437    26.025  3.5173  29.234  3.1716  -3.208897      4.736113 
1 1 1 12  21  15 o 76.180  2.4182  814.904   49.333    835.217   69.949    794.801   69.589    77.161  3.3845  75.199  3.4549  1.961655       4.836434 
1 1 1 12  21  16 o 24.645  2.6477  87.899    16.916    86.130    24.198    89.589    23.656    24.354  3.8365  24.936  3.6500  -0.5816822     5.295428 
1 1 1 12  21  17 o 15.765  3.0769  37.671    14.025    23.743    20.290    50.415    19.409    13.141  4.6333  18.389  4.0500  -5.247971      6.153818 
1 1 1 12  21  18 o 39.167  2.3882  219.693   24.636    192.283   34.681    247.616   35.004    36.522  3.5917  41.813  3.1486  -5.291042      4.776383 
1 1 1 12  21  19 o 14.919  2.9197  31.218    14.190    58.866    20.396    5.2807    19.754    19.747  3.9933  10.092  4.2605  9.655437       5.839326 
1 1 1 12  22  0  o 24.916  2.2067  85.567    14.393    83.961    20.605    87.097    20.113    24.668  3.1936  25.164  3.0461  -0.4959774     4.413351 
1 1 1 12  22  1  o 23.458  2.2346  75.998    13.651    82.594    19.617    69.805    19.009    24.483  3.0582  22.432  3.2591  2.050701       4.469230 
1 1 1 12  22  2  o 29.172  2.0905  116.860   16.058    107.101   22.678    126.671   22.739    27.907  3.0856  30.437  2.8213  -2.530685      4.180976 
1 1 1 12  22  3  o 55.169  2.0375  413.987   30.017    390.608   42.140    438.067   42.768    53.530  2.9505  56.809  2.8107  -3.279194      4.075014 
1 1 1 12  22  4  o 79.725  2.2603  867.485   48.266    866.684   67.956    868.301   68.566    79.694  3.1835  79.757  3.2096  -0.6214142E-01 4.520677 
1 1 1 12  22  5  o 12.812  2.8367  22.587    10.920    26.275    15.113    18.557    15.796    13.630  3.9259  11.993  4.0957  1.636582       5.673414 
1 1 1 12  22  6  o 32.084  2.1246  141.836   18.019    133.142   25.353    150.711   25.614    31.057  3.0888  33.111  2.9180  -2.053999      4.249164 
1 1 1 12  22  7  o 31.073  3.9108  136.021   31.828    136.021   31.828    0.0000    0.0000    31.073  3.9108  ?       ?       ?              ?        
1 1 1 12  22  8  o 33.912  3.0847  159.196   27.713    0.0000    0.0000    159.196   27.713    ?       ?       33.912  3.0847  ?              ?        
1 1 1 12  22  9  o 22.115  2.5706  70.103    14.583    80.292    20.523    59.713    20.724    23.895  3.2941  20.335  3.9472  3.559868       5.141134 
1 1 1 12  22  10 o 42.603  2.1482  251.696   24.351    253.930   34.410    249.454   34.467    42.802  3.0208  42.405  3.0550  0.3968315      4.296333 
1 1 1 12  22  11 o 45.736  2.1558  290.684   26.254    291.465   36.853    289.879   37.412    45.814  3.0202  45.658  3.0771  0.1558990      4.311632 
1 1 1 12  22  12 f 47.388  2.1948  313.161   27.691    304.481   39.305    321.714   39.018    46.699  3.1609  48.077  3.0458  -1.378025      4.389560 
1 1 1 12  22  13 o 33.264  2.3552  156.470   20.586    139.395   29.018    173.773   29.210    31.320  3.5200  35.208  3.1301  -3.887758      4.710411 
1 1 1 12  22  14 o 41.879  2.2691  246.548   25.223    233.919   35.796    259.001   35.547    40.746  3.3084  43.011  3.1065  -2.264370      4.538299 
1 1 1 12  22  15 o 21.990  2.8132  71.216    15.923    63.203    22.404    79.395    22.636    20.602  4.2024  23.378  3.7412  -2.775894      5.626432 
1 1 1 12  22  16 o 15.786  3.0566  38.031    13.767    25.800    19.945    49.162    19.028    13.445  4.6021  18.128  4.0237  -4.683325      6.113101 
1 1 1 12  22  17 o 32.015  2.4918  148.564   20.925    135.056   29.517    162.210   29.668    30.417  3.6991  33.612  3.3395  -3.194977      4.983553 
1 1 1 12  23  0  o 53.166  2.0207  385.079   28.654    399.118   40.527    371.044   40.520    54.155  2.8036  52.178  2.9109  1.977108       4.041459 
1 1 1 12  23  1  o 26.173  2.2048  94.651    15.147    97.337    21.437    91.973    21.405    26.561  3.0698  25.785  3.1657  0.7757111      4.409643 
1 1 1 12  23  2  o 59.782  2.0686  486.811   33.123    487.299   46.740    486.319   46.946    59.815  2.9174  59.749  2.9334  0.6568527E-01  4.137147 
1 1 1 12  23  3  o 61.187  2.0707  510.672   33.925    493.368   47.772    528.276   48.184    60.126  2.9663  62.247  2.8900  -2.120296      4.141390 
1 1 1 12  23  4  o 6.4371  2.9464  -7.5737   11.425    -7.5737   11.425    0.0000    0.0000    6.4371  2.9464  ?       ?       ?              ?        
1 1 1 12  23  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  23  6  o 21.801  2.5148  67.433    14.163    63.294    19.934    71.653    20.125    21.075  3.6645  22.527  3.4450  -1.451693      5.029528 
1 1 1 12  23  7  o 27.124  2.3331  103.502   16.436    118.878   23.393    88.510    23.099    29.239  3.0309  25.009  3.5478  4.230011       4.666171 
1 1 1 12  23  8  o 30.645  2.2427  131.444   18.074    119.812   25.519    143.152   25.603    29.209  3.3209  32.081  3.0149  -2.871801      4.485303 
1 1 1 12  23  9  o 31.283  2.2916  137.279   18.922    137.918   26.683    136.634   26.837    31.365  3.2220  31.201  3.2594  0.1636753      4.583126 
1 1 1 12  23  10 o 12.834  2.8312  21.031    12.005    37.845    17.242    5.2110    16.725    16.023  4.0232  9.6457  3.9845  6.377327       5.662393 
1 1 1 12  23  11 o 23.767  2.6340  81.630    16.127    91.337    22.829    71.959    22.786    25.321  3.4563  22.214  3.9756  3.107103       5.267956 
1 1 1 12  23  12 o 22.846  2.6547  75.621    15.658    80.435    22.130    70.794    22.157    23.653  3.6072  22.040  3.8957  1.612867       5.309301 
1 1 1 12  23  13 o 14.294  2.9549  29.838    13.028    44.136    17.897    13.723    19.001    17.254  3.9569  11.334  4.3897  5.920388       5.909895 
1 1 1 12  23  14 o 19.263  3.0410  55.964    15.311    50.831    21.573    61.175    21.735    18.288  4.4471  20.238  4.1489  -1.949738      6.081936 
1 1 1 12  23  15 o 25.731  2.6746  97.171    17.850    90.950    25.190    103.447   25.298    24.810  3.9209  26.652  3.6389  -1.842421      5.349298 
1 1 1 12  23  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  24  0  o 40.678  2.0411  226.741   22.089    231.911   31.197    221.543   31.279    41.158  2.8474  40.199  2.9251  0.9592476      4.082181 
1 1 1 12  24  1  o 51.144  3.7218  363.347   50.634    363.347   50.634    0.0000    0.0000    51.144  3.7218  ?       ?       ?              ?        
1 1 1 12  24  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  24  3  o 33.769  2.1240  157.580   19.009    154.748   26.734    160.476   27.035    33.456  3.0158  34.083  2.9917  -0.6267357     4.247946 
1 1 1 12  24  4  o 32.700  2.1552  148.288   18.616    136.518   26.078    160.517   26.582    31.329  3.1505  34.071  2.9417  -2.742733      4.310324 
1 1 1 12  24  5  o 23.761  2.4768  80.518    15.109    67.329    21.356    93.735    21.379    21.644  3.8236  25.878  3.1493  -4.233463      4.953626 
1 1 1 12  24  6  o 19.995  2.7121  57.945    13.982    51.856    19.712    64.111    19.837    18.842  4.0279  21.148  3.6329  -2.305754      5.424223 
1 1 1 12  24  7  o 13.355  2.9562  25.340    12.011    31.695    16.625    18.402    17.371    14.709  4.0779  12.001  4.2810  2.708358       5.912411 
1 1 1 12  24  8  o 20.566  2.7010  61.423    14.316    55.888    20.114    67.105    20.379    19.542  3.9781  21.589  3.6546  -2.047340      5.401930 
1 1 1 12  24  9  o 44.149  2.2084  272.599   25.891    291.383   36.604    253.791   36.627    45.748  3.0039  42.551  3.2379  3.196766       4.416762 
1 1 1 12  24  10 o 17.712  2.9954  47.579    14.409    62.565    19.998    31.398    20.780    20.761  3.7335  14.664  4.6851  6.097540       5.990819 
1 1 1 12  24  11 o 4.5864  1.6215  -31.5418  8.2422    -25.2534  11.703    -37.7308  11.610    4.9305  2.4351  4.2424  2.1418  0.6881385      3.242974 
1 1 1 12  24  12 o 26.563  2.7293  102.990   18.699    88.719    26.172    117.870   26.725    24.496  4.1362  28.630  3.5620  -4.134117      5.458620 
1 1 1 12  24  13 o 20.666  2.9745  66.249    15.939    87.799    22.194    43.297    22.905    24.636  3.4588  16.696  4.8402  7.939226       5.949002 
1 1 1 12  24  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  25  0  o 30.675  2.1803  130.873   17.575    144.462   24.824    117.215   24.887    32.353  2.8953  28.998  3.2607  3.354897       4.360578 
1 1 1 12  25  1  o 29.425  2.2168  120.622   17.185    124.241   24.080    116.865   24.533    29.910  3.0483  28.941  3.2195  0.9694633      4.433631 
1 1 1 12  25  2  o 14.390  2.8873  29.920    11.834    36.683    16.681    23.069    16.791    15.866  3.9427  12.914  4.2191  2.951708       5.774529 
1 1 1 12  25  3  o 28.780  2.2712  116.005   17.209    115.332   24.212    116.692   24.463    28.698  3.2046  28.862  3.2192  -0.1648006     4.542368 
1 1 1 12  25  4  o 29.889  2.2807  125.492   17.915    134.736   25.278    116.164   25.394    31.066  3.0784  28.711  3.3659  2.355301       4.561348 
1 1 1 12  25  5  o 16.638  2.8766  40.230    12.998    27.540    17.756    54.880    19.078    13.835  4.3195  19.440  3.8002  -5.604846      5.753231 
1 1 1 12  25  6  o 54.300  2.1715  410.282   31.451    407.776   44.119    412.870   44.846    54.142  3.0548  54.459  3.0871  -0.3166122     4.343062 
1 1 1 12  25  7  o 26.143  2.5095  97.568    17.110    100.677   24.192    94.456    24.201    26.597  3.4793  25.690  3.6173  0.9069233      5.018994 
1 1 1 12  25  8  o 11.412  2.9585  15.477    12.203    21.965    16.406    7.4425    18.257    12.551  4.1738  10.273  4.1941  2.277728       5.917026 
1 1 1 12  25  9  o 10.623  2.9278  10.635    12.233    16.850    17.391    4.5491    17.210    11.634  4.2652  9.6116  4.0119  2.022388       5.855582 
1 1 1 12  25  10 o 34.440  2.3973  168.950   21.818    163.667   30.811    174.263   30.899    33.862  3.4450  35.017  3.3347  -1.154301      4.794622 
1 1 1 12  25  11 o 20.655  3.0713  64.695    16.453    66.368    23.285    63.026    23.251    20.955  4.2929  20.356  4.3933  0.5989265      6.142522 
1 1 1 12  25  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  26  0  o 47.391  2.0795  310.679   26.239    293.488   36.912    328.238   37.306    46.025  3.0108  48.757  2.8693  -2.731709      4.159051 
1 1 1 12  26  1  o 31.215  2.2321  136.277   18.381    128.162   25.795    144.648   26.200    30.229  3.2360  32.200  3.0751  -1.971189      4.464107 
1 1 1 12  26  2  o 16.357  2.9096  39.467    12.805    33.821    18.071    45.162    18.148    15.160  4.2689  17.553  3.9548  -2.392746      5.819226 
1 1 1 12  26  3  o 20.079  2.8666  58.993    14.883    50.225    20.637    68.495    21.484    18.408  4.2685  21.750  3.8276  -3.341476      5.733273 
1 1 1 12  26  4  o 14.962  2.9389  33.441    13.126    47.369    17.691    16.384    19.577    18.011  3.7872  11.913  4.4949  6.098465       5.877715 
1 1 1 12  26  5  o 19.741  2.8742  58.786    14.720    75.787    20.454    40.519    21.202    23.042  3.4176  16.440  4.6220  6.602451       5.748310 
1 1 1 12  26  6  o 41.688  2.2304  243.536   24.690    228.559   34.483    259.292   35.368    40.328  3.2191  43.047  3.0879  -2.718880      4.460730 
1 1 1 12  26  7  o 17.295  3.1351  44.670    15.074    29.392    20.794    61.590    21.883    14.230  4.6973  20.361  4.1533  -6.131241      6.270150 
1 1 1 12  26  8  o 22.731  2.9112  78.148    16.788    53.426    23.685    103.107   23.799    18.633  4.7357  26.828  3.3874  -8.194782      5.822456 
1 1 1 12  26  9  o 11.858  3.0084  14.620    13.169    0.3293    17.698    32.348    19.712    9.0888  3.9383  14.627  4.5487  -5.538673      6.016759 
1 1 1 12  26  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  27  0  o 13.711  3.0614  27.035    12.632    29.814    17.352    23.902    18.426    14.285  4.2333  13.136  4.4237  1.148571       6.122896 
1 1 1 12  27  1  o 11.827  2.9574  17.895    11.912    23.040    16.397    12.145    17.335    12.798  4.1686  10.855  4.1961  1.943336       5.914739 
1 1 1 12  27  2  o 36.086  2.2587  183.323   21.511    194.862   29.855    170.866   31.021    37.370  3.0081  34.801  3.3701  2.569256       4.517357 
1 1 1 12  27  3  o 10.440  2.9219  10.039    12.033    11.076    15.758    8.5880    18.638    10.366  4.0025  10.513  4.2580  -0.1469765     5.843851 
1 1 1 12  27  4  o 30.945  2.4390  136.441   19.803    124.792   27.892    148.280   28.120    29.517  3.6027  32.373  3.2886  -2.856010      4.877920 
1 1 1 12  27  5  o 14.261  2.8200  27.653    13.096    51.693    18.642    4.2252    18.403    18.717  3.8470  9.8050  4.1243  8.911686       5.639993 
1 1 1 12  27  6  o 16.034  3.1664  39.409    14.241    44.681    19.540    33.435    20.799    17.170  4.2674  14.898  4.6790  2.272227       6.332761 
1 1 1 12  27  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  28  0  o 28.080  2.5505  113.392   18.600    123.909   25.912    102.213   26.715    29.578  3.3286  26.583  3.8653  2.995337       5.100988 
1 1 1 12  28  1  o 18.976  2.9561  53.565    14.677    43.621    20.368    64.304    21.168    17.015  4.4269  20.936  3.9189  -3.920969      5.912271 
1 1 1 12  28  2  o 8.5494  2.5144  -2.8070   11.177    13.101    14.223    -28.4960  18.074    10.440  3.8525  6.6585  3.2321  3.781768       5.028757 
1 1 1 12  28  3  o 19.317  3.0846  57.323    15.614    65.379    21.213    47.797    23.066    21.036  3.9087  17.598  4.7728  3.437946       6.169105 
1 1 1 12  28  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  28  5  o 22.033  4.4227  74.470    25.193    0.0000    0.0000    74.470    25.193    ?       ?       22.033  4.4227  ?              ?        
1 1 1 12  29  0  o 18.318  3.1785  51.832    15.489    56.584    20.747    45.848    23.282    19.430  4.1147  17.206  4.8456  2.223616       6.356937 
1 1 1 12  29  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 12  29  2  o 20.683  3.1214  66.794    16.761    77.082    22.886    54.893    24.614    22.744  3.8970  18.622  4.8770  4.122660       6.242717 
1 1 1 13  -36 8  o 17.899  3.4268  58.477    16.713    63.034    25.470    55.031    22.148    18.314  5.0356  17.484  4.6491  0.8304863      6.853565 
1 1 1 13  -36 9  o 14.827  3.5151  40.046    16.362    50.794    25.384    32.408    21.400    16.228  5.1775  13.426  4.7557  2.801832       7.030202 
1 1 1 13  -36 10 o 14.387  3.3734  34.603    15.116    53.926    24.805    23.189    19.065    16.882  5.0747  11.892  4.4460  4.990685       6.746819 
1 1 1 13  -36 11 o 9.8396  2.9809  8.7025    13.768    5.5784    22.923    10.466    17.220    9.9327  4.3879  9.7464  4.0360  0.1863031      5.961828 
1 1 1 13  -36 12 o 15.706  3.5727  46.092    16.890    51.540    26.157    42.196    22.120    16.283  5.2621  15.130  4.8338  1.153248       7.145327 
1 1 1 13  -36 13 o 21.697  3.4426  83.659    19.488    100.692   29.456    70.400    25.989    23.822  4.7826  19.573  4.9531  4.248075       6.885277 
1 1 1 13  -36 14 o 15.258  3.5274  41.873    16.315    56.092    26.474    33.166    20.716    16.946  5.2717  13.570  4.6880  3.375529       7.054713 
1 1 1 13  -36 15 o 23.976  3.3632  100.897   20.755    122.150   31.343    84.299    27.699    26.469  4.5872  21.483  4.9195  4.985731       6.726376 
1 1 1 13  -36 16 o 18.718  3.7454  67.892    19.472    75.161    29.788    62.469    25.730    19.373  5.4898  18.063  5.0964  1.309443       7.490762 
1 1 1 13  -36 17 o 11.008  3.2664  16.447    16.275    11.522    25.935    19.646    20.904    10.730  4.7063  11.285  4.5308  -0.5547943     6.532753 
1 1 1 13  -36 18 o 16.200  3.3790  44.679    16.879    81.567    27.200    21.578    21.525    20.868  4.9425  11.532  4.6090  9.336416       6.758012 
1 1 1 13  -36 19 f 20.834  3.6826  85.199    20.475    83.502    30.335    86.619    27.750    20.222  5.4689  21.447  4.9334  -1.225561      7.365278 
1 1 1 13  -36 20 o 12.425  3.2951  27.049    17.037    1.4884    26.628    44.766    22.169    9.7376  4.4722  15.112  4.8403  -5.374552      6.590115 
1 1 1 13  -36 21 o 8.7840  2.7994  -0.3123   14.683    -20.0920  24.311    11.046    18.422    7.8979  3.8126  9.6701  4.1001  -1.772205      5.598837 
1 1 1 13  -36 22 o 9.7364  3.0440  7.9621    16.224    -8.3038   27.161    16.985    20.229    8.9549  4.2422  10.518  4.3665  -1.563025      6.087907 
1 1 1 13  -36 23 o 10.014  3.1560  10.861    17.137    7.9945    26.036    13.052    22.762    9.9120  4.5026  10.116  4.4237  -0.2042522     6.312072 
1 1 1 13  -36 24 o 13.359  3.7245  42.180    19.532    44.760    29.570    40.183    26.014    13.492  5.3987  13.226  5.1325  0.2662544      7.449055 
1 1 1 13  -35 2  o 14.925  3.3435  39.327    14.863    43.863    22.814    35.982    19.592    15.514  4.9040  14.337  4.5460  1.177482       6.686947 
1 1 1 13  -35 3  o 8.2145  2.5364  -3.6473   12.027    -32.1972  20.497    11.344    14.853    6.7556  3.3140  9.6735  3.8406  -2.917889      5.072757 
1 1 1 13  -35 4  o 26.759  2.7573  113.280   19.140    121.974   28.185    105.840   26.073    27.710  3.9058  25.808  3.8929  1.902889       5.514507 
1 1 1 13  -35 5  o 13.832  3.3712  32.862    15.213    29.152    23.437    35.564    19.999    13.246  4.9340  14.418  4.5951  -1.172060      6.742344 
1 1 1 13  -35 6  o 19.903  3.3811  67.784    17.731    72.483    26.496    63.973    23.862    20.426  4.9048  19.380  4.6552  1.045378       6.762230 
1 1 1 13  -35 7  o 8.9190  2.7687  1.5725    12.318    4.2500    20.201    -0.0124   15.542    9.6259  4.1893  8.2121  3.6212  1.413814       5.537455 
1 1 1 13  -35 8  o 10.478  2.7204  7.2490    13.235    -29.5098  20.909    31.826    17.097    7.0488  3.4339  13.908  4.2204  -6.859250      5.440893 
1 1 1 13  -35 9  o 17.059  3.5985  51.219    17.664    59.320    26.452    44.699    23.731    18.196  5.1791  15.923  4.9973  2.273940       7.196990 
1 1 1 13  -35 10 o 28.076  2.8019  124.005   20.453    132.746   29.829    116.249   28.098    29.043  3.9358  27.109  3.9889  1.934328       5.603720 
1 1 1 13  -35 11 o 14.733  3.4220  37.759    15.712    33.254    24.219    41.032    20.647    13.966  5.0464  15.501  4.6232  -1.534085      6.844022 
1 1 1 13  -35 12 o 16.364  3.4113  44.338    16.092    63.162    25.419    31.747    20.788    18.996  4.9469  13.732  4.6984  5.264226       6.822533 
1 1 1 13  -35 13 o 21.194  3.3042  80.231    18.702    50.971    27.867    104.207   25.226    16.565  5.4364  25.824  3.7571  -9.259247      6.608332 
1 1 1 13  -35 14 o 10.833  3.1914  12.180    15.754    1.3748    24.853    19.436    20.368    10.037  4.4929  11.629  4.5336  -1.591912      6.382768 
1 1 1 13  -35 15 o 21.382  3.3977  76.957    19.035    102.630   29.314    58.241    25.029    24.707  4.5989  18.057  5.0027  6.649937       6.795339 
1 1 1 13  -35 16 o 17.054  3.4572  49.744    17.394    74.896    26.516    30.746    23.044    20.686  4.8669  13.422  4.9114  7.263782       6.914385 
1 1 1 13  -35 17 o 16.621  3.5263  50.508    17.016    46.381    26.005    53.598    22.502    15.762  5.2554  17.480  4.7031  -1.717377      7.052505 
1 1 1 13  -35 18 o 8.8905  2.8732  -5.0378   14.642    3.7026    24.268    -10.0410  18.361    10.045  4.4722  7.7357  3.6083  2.309716       5.746370 
1 1 1 13  -35 19 o 10.283  2.9753  10.886    14.185    -9.1328   23.654    22.129    17.726    8.8167  4.1069  11.749  4.3063  -2.932676      5.950691 
1 1 1 13  -35 20 o 9.3395  2.9054  4.1940    13.918    -1.9900   23.210    7.6661    17.391    9.2831  4.2301  9.3959  3.9838  -0.1128616     5.810711 
1 1 1 13  -35 21 o 15.165  3.6420  44.523    17.624    42.839    27.836    45.650    22.770    14.705  5.3953  15.625  4.8937  -0.9197674     7.284095 
1 1 1 13  -35 22 o 14.714  3.3982  34.606    18.042    72.958    27.340    5.0212    24.012    19.510  5.1545  9.9179  4.4296  9.592168       6.796337 
1 1 1 13  -35 23 o 13.117  3.5310  30.399    17.208    45.717    26.911    19.802    22.383    14.909  5.3274  11.324  4.6358  3.585855       7.062059 
1 1 1 13  -35 24 o 25.347  3.4321  119.056   22.359    121.414   33.256    117.110   30.206    25.206  5.1009  25.489  4.5934  -0.2831192     6.864289 
1 1 1 13  -35 25 o 32.395  3.0846  184.960   25.241    232.801   36.678    141.917   34.789    37.455  3.7046  27.334  4.9332  10.12048       6.169291 
1 1 1 13  -35 26 o 10.593  3.2541  11.695    17.387    31.950    26.946    -2.7541   22.758    12.458  5.0918  8.7288  4.0534  3.729123       6.508130 
1 1 1 13  -35 27 o 11.543  3.4261  20.503    18.445    46.882    28.737    2.0210    24.054    13.937  5.3983  9.1503  4.2201  4.786214       6.852110 
1 1 1 13  -35 28 o 8.6672  4.1077  -48.0319  15.001    -4.9442   25.520    -70.7810  18.543    8.6672  4.1077  ?       ?       ?              ?        
1 1 1 13  -34 0  o 10.947  3.0989  14.882    13.739    14.530    20.615    15.164    18.427    11.023  4.4733  10.871  4.2899  0.1518497      6.197871 
1 1 1 13  -34 1  o 10.504  3.4821  -6.5776   18.128    -8.8859   19.847    5.0389    44.523    8.3005  3.8300  12.707  5.8165  -4.406661      6.964193 
1 1 1 13  -34 2  o 12.513  3.2442  23.082    14.238    30.235    21.517    17.511    18.989    13.642  4.7741  11.384  4.3942  2.258643       6.488491 
1 1 1 13  -34 3  o 23.144  2.9783  87.699    17.378    62.078    25.402    110.240   23.826    19.121  4.9286  27.166  3.3450  -8.044704      5.956518 
1 1 1 13  -34 4  o 33.380  2.4827  168.181   21.607    146.595   30.945    188.718   30.184    30.947  3.8139  35.813  3.1797  -4.866428      4.965495 
1 1 1 13  -34 5  o 9.9051  2.9187  8.1354    12.733    4.9303    20.385    10.186    16.305    9.8916  4.2565  9.9186  3.9946  -0.2702141E-01 5.837353 
1 1 1 13  -34 6  o 20.712  3.0267  66.998    16.261    91.925    24.701    47.934    21.602    24.394  3.9128  17.031  4.6188  7.362894       6.053337 
1 1 1 13  -34 7  o 17.205  3.1818  47.160    14.889    61.220    22.837    36.766    19.636    19.412  4.4827  14.998  4.5167  4.414720       6.363559 
1 1 1 13  -34 8  o 12.401  3.2756  22.408    14.941    14.474    22.972    28.225    19.669    11.455  4.6939  13.346  4.5702  -1.890574      6.551297 
1 1 1 13  -34 9  o 26.886  2.7787  110.893   19.298    128.074   28.451    96.252    26.264    28.975  3.7542  24.796  4.0976  4.179079       5.557350 
1 1 1 13  -34 10 o 11.708  2.9413  16.569    14.157    -13.2495  22.656    35.671    18.133    8.5834  4.0052  14.832  4.3086  -6.249009      5.882654 
1 1 1 13  -34 11 o 34.214  2.5563  177.874   22.850    157.446   32.672    197.433   31.969    31.958  3.8975  36.470  3.3087  -4.511915      5.112578 
1 1 1 13  -34 12 o 20.235  3.2303  65.691    17.338    93.312    26.472    44.942    22.943    24.224  4.2340  16.246  4.8800  7.978264       6.460679 
1 1 1 13  -34 13 o 29.399  2.8031  133.739   21.343    155.193   31.310    115.116   29.171    31.822  3.7450  26.976  4.1720  4.846716       5.606261 
1 1 1 13  -34 14 o 29.203  2.8047  132.505   21.237    151.361   31.017    115.862   29.140    31.364  3.7675  27.042  4.1560  4.321672       5.609488 
1 1 1 13  -34 15 o 15.941  3.3741  39.752    16.707    68.559    25.870    19.142    21.882    20.043  4.8675  11.839  4.6739  8.203819       6.748142 
1 1 1 13  -34 16 o 8.9439  2.7166  2.2660    12.336    -14.0607  20.697    11.262    15.363    8.0354  3.7747  9.8524  3.9078  -1.817056      5.433199 
1 1 1 13  -34 17 o 9.3054  2.8685  0.3596    14.318    -17.6713  22.565    12.513    18.526    8.1482  3.8619  10.463  4.2424  -2.314495      5.736970 
1 1 1 13  -34 18 o 15.270  3.4060  36.005    17.101    66.811    26.389    13.704    22.453    19.470  5.0259  11.070  4.5983  8.400559       6.812047 
1 1 1 13  -34 19 o 21.820  3.3068  83.357    19.009    56.725    27.399    108.075   26.396    17.501  5.3497  26.139  3.8886  -8.637907      6.613627 
1 1 1 13  -34 20 o 18.355  3.5199  59.366    17.671    68.533    26.774    52.291    23.522    19.550  5.0702  17.159  4.8838  2.390881       7.039807 
1 1 1 13  -34 21 o 10.545  3.0567  11.744    14.537    -1.8971   22.384    21.695    19.118    9.2695  4.1964  11.820  4.4456  -2.550090      6.113396 
1 1 1 13  -34 22 o 9.8635  3.0593  4.0973    15.214    12.680    24.131    -1.5646   19.600    10.953  4.6699  8.7735  3.9534  2.179989       6.118635 
1 1 1 13  -34 23 o 13.199  3.5182  30.601    16.980    28.583    25.168    32.287    23.005    12.926  5.0395  13.471  4.9105  -0.5447626     7.036303 
1 1 1 13  -34 24 o 14.389  3.4831  38.898    17.563    20.313    26.941    52.633    23.161    11.878  4.9928  16.900  4.8579  -5.022788      6.966191 
1 1 1 13  -34 25 f 11.840  3.4315  20.199    17.362    32.965    26.773    10.934    22.808    13.284  5.1924  10.396  4.4878  2.887704       6.863067 
1 1 1 13  -34 26 o 8.4904  2.7580  -10.1691  15.711    -39.9469  24.943    9.4139    20.228    7.1397  3.5315  9.8410  4.2373  -2.701259      5.516006 
1 1 1 13  -34 27 o 16.166  3.7007  55.940    19.578    38.086    29.792    69.511    25.973    13.504  5.4133  18.827  5.0474  -5.323807      7.401377 
1 1 1 13  -34 28 o 18.742  3.8815  75.122    20.572    82.171    31.501    69.881    27.164    19.182  5.7083  18.302  5.2611  0.8799076      7.762951 
1 1 1 13  -34 29 o 12.730  3.5586  34.531    18.218    28.433    27.243    39.463    24.502    11.959  5.0235  13.501  5.0417  -1.542526      7.117218 
1 1 1 13  -34 30 o 12.870  3.6411  38.740    19.836    25.931    29.939    48.763    26.484    11.439  5.0359  14.301  5.2603  -2.862091      7.282225 
1 1 1 13  -34 31 f 11.869  3.5440  29.500    19.491    53.345    30.475    12.994    25.356    13.870  5.5031  9.8684  4.4671  4.001755       7.087912 
1 1 1 13  -33 0  o 15.862  3.1336  39.235    14.561    58.502    21.611    23.217    19.705    19.182  4.3112  12.541  4.5488  6.640649       6.267270 
1 1 1 13  -33 1  o 10.424  2.6258  -0.3959   11.706    35.193    18.511    -24.1141  15.112    14.852  4.3644  5.9959  2.9206  8.856427       5.251518 
1 1 1 13  -33 2  o 35.795  2.3940  188.392   22.509    215.440   32.381    163.103   31.311    38.491  3.1690  33.099  3.5893  5.392269       4.788054 
1 1 1 13  -33 3  f 20.827  2.9262  67.228    15.753    93.111    23.274    45.345    21.401    24.942  3.5870  16.712  4.6244  8.230114       5.852451 
1 1 1 13  -33 4  o 12.574  3.0364  22.013    12.533    34.167    19.309    13.164    16.476    14.628  4.4943  10.521  4.0841  4.106515       6.072808 
1 1 1 13  -33 5  o 18.102  3.2344  52.917    15.606    53.288    23.621    52.630    20.791    18.005  4.8075  18.199  4.3283  -0.1933136     6.468860 
1 1 1 13  -33 6  o 14.677  3.2247  33.773    13.856    39.929    21.652    29.503    18.032    15.644  4.7499  13.709  4.3627  1.935405       6.449426 
1 1 1 13  -33 7  o 29.740  2.4834  132.544   19.107    114.623   27.620    148.992   26.461    27.481  3.8587  31.999  3.1273  -4.518061      4.966832 
1 1 1 13  -33 8  o 8.3652  2.4686  -1.8544   10.855    -26.7532  17.531    13.629    13.824    6.4943  3.1595  10.236  3.7940  -3.741900      4.937278 
1 1 1 13  -33 9  o 24.735  2.8380  93.580    18.104    104.512   26.624    84.179    24.691    26.165  3.9197  23.305  4.1054  2.859737       5.676086 
1 1 1 13  -33 10 o 12.549  3.0384  19.946    12.830    38.798    20.504    7.8143    16.448    15.459  4.6064  9.6398  3.9634  5.819238       6.076846 
1 1 1 13  -33 11 o 35.169  2.4395  183.732   22.566    168.324   32.256    198.502   31.581    33.511  3.6528  36.827  3.2344  -3.315754      4.878940 
1 1 1 13  -33 12 o 16.609  3.3154  43.379    15.588    61.086    24.237    30.888    20.357    19.294  4.7272  13.924  4.6499  5.370584       6.630834 
1 1 1 13  -33 13 o 14.263  4.4012  32.591    18.494    0.0000    0.0000    32.591    18.494    ?       ?       14.263  4.4012  ?              ?        
1 1 1 13  -33 14 o 12.607  4.4368  24.189    18.597    0.0000    0.0000    24.189    18.597    ?       ?       12.607  4.4368  ?              ?        
1 1 1 13  -33 15 o 26.296  4.3127  109.355   29.322    0.0000    0.0000    109.355   29.322    ?       ?       26.296  4.3127  ?              ?        
1 1 1 13  -33 16 o 17.525  4.6367  50.942    22.103    0.0000    0.0000    50.942    22.103    ?       ?       17.525  4.6367  ?              ?        
1 1 1 13  -33 17 f 14.619  4.8495  35.676    22.153    0.0000    0.0000    35.676    22.153    ?       ?       14.619  4.8495  ?              ?        
1 1 1 13  -33 18 o 12.579  4.6749  24.069    21.017    0.0000    0.0000    24.069    21.017    ?       ?       12.579  4.6749  ?              ?        
1 1 1 13  -33 19 o 13.906  3.3248  33.764    16.626    1.5259    32.284    45.400    19.396    11.195  5.0566  16.616  4.3184  -5.420942      6.649607 
1 1 1 13  -33 20 o 27.070  2.9529  116.850   20.626    131.345   29.809    103.534   28.571    28.918  3.9520  25.221  4.3886  3.696201       5.905785 
1 1 1 13  -33 21 o 14.208  3.5294  34.878    17.202    24.141    25.839    43.425    23.054    12.695  5.0576  15.722  4.9241  -3.026542      7.058778 
1 1 1 13  -33 22 o 11.812  3.2997  19.676    15.312    23.749    23.345    16.601    20.285    12.437  4.8522  11.187  4.4732  1.250063       6.599470 
1 1 1 13  -33 23 o 6.6627  2.2792  -25.3801  12.886    -45.6481  20.308    -11.7193  16.672    6.0987  3.0444  7.2268  3.3927  -1.128120      4.558365 
1 1 1 13  -33 24 o 27.351  3.0279  123.473   21.434    126.765   31.129    120.506   29.556    27.619  4.3520  27.084  4.2110  0.5353050      6.055820 
1 1 1 13  -33 25 o 12.883  3.5145  27.795    17.012    32.272    26.127    24.500    22.415    13.469  5.1659  12.297  4.7664  1.171776       7.028918 
1 1 1 13  -33 26 o 20.418  3.3416  74.364    18.882    110.400   27.805    43.523    25.723    25.775  4.1698  15.060  5.2228  10.71545       6.683120 
1 1 1 13  -33 27 o 13.901  3.5589  34.553    17.683    51.287    26.149    20.452    24.005    16.141  5.2646  11.660  4.7904  4.480813       7.117809 
1 1 1 13  -33 28 o 25.561  3.3375  117.276   21.977    110.638   31.345    123.694   30.823    24.520  4.9433  26.602  4.4854  -2.081686      6.674917 
1 1 1 13  -33 29 o 11.331  3.3854  19.168    17.976    10.532    27.700    25.451    23.626    10.642  4.7549  12.021  4.8201  -1.378642      6.770720 
1 1 1 13  -33 30 o 14.006  3.6852  42.266    18.924    34.178    29.272    48.073    24.805    12.874  5.2896  15.138  5.1325  -2.263449      7.370390 
1 1 1 13  -33 31 o 13.935  3.6807  43.857    19.073    33.888    28.910    51.541    25.381    12.566  5.2187  15.304  5.1918  -2.738057      7.361343 
1 1 1 13  -33 32 o 17.287  3.9375  71.782    20.755    81.358    30.564    63.588    28.273    18.371  5.6560  16.203  5.4797  2.168596       7.875065 
1 1 1 13  -33 33 o 7.7534  2.6670  -17.1682  17.435    -15.2448  26.532    -18.6301  23.130    8.0733  3.9182  7.4335  3.6192  0.6398296      5.333977 
1 1 1 13  -32 0  f 19.231  3.0564  58.075    15.339    56.318    22.450    59.613    21.007    18.832  4.5102  19.631  4.1262  -0.7989330     6.112871 
1 1 1 13  -32 1  o 34.425  2.3104  172.171   21.043    173.063   30.104    171.318   29.427    34.487  3.2992  34.363  3.2353  0.1236458      4.620807 
1 1 1 13  -32 2  o 11.746  3.1112  17.865    13.648    8.6862    20.760    24.852    18.113    10.601  4.4141  12.891  4.3858  -2.289748      6.222462 
1 1 1 13  -32 3  o 12.878  3.0307  24.906    12.802    14.307    19.620    32.765    16.893    11.224  4.4274  14.533  4.1398  -3.308826      6.061378 
1 1 1 13  -32 4  o 12.661  3.0747  23.493    12.511    25.394    18.979    22.033    16.639    13.048  4.4884  12.274  4.2034  0.7743320      6.149308 
1 1 1 13  -32 5  o 28.002  2.5256  115.246   18.456    121.280   27.405    110.238   24.966    28.615  3.6595  27.388  3.4819  1.226540       5.051298 
1 1 1 13  -32 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -32 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -32 8  o 7.7814  3.6237  -13.0574  18.397    -13.0574  18.397    0.0000    0.0000    7.7814  3.6237  ?       ?       ?              ?        
1 1 1 13  -32 9  o 17.345  3.1189  46.342    14.646    59.469    21.982    35.861    19.642    19.569  4.3103  15.122  4.5091  4.447029       6.237798 
1 1 1 13  -32 10 o 15.036  3.2331  35.206    14.118    38.647    21.197    32.462    18.928    15.617  4.6904  14.454  4.4511  1.162691       6.466270 
1 1 1 13  -32 11 o 20.878  3.0064  67.180    16.272    87.562    23.741    49.123    22.347    24.201  3.7866  17.554  4.6708  6.646652       6.012884 
1 1 1 13  -32 12 o 18.588  3.2797  55.865    16.461    45.042    24.397    64.910    22.304    16.656  5.0387  20.520  4.1996  -3.863424      6.559319 
1 1 1 13  -32 13 o 37.507  2.3468  204.068   23.294    218.676   33.348    190.149   32.553    38.900  3.2298  36.114  3.4055  2.786472       4.693540 
1 1 1 13  -32 14 o 11.071  3.0321  14.436    12.565    16.281    20.184    13.268    16.054    11.593  4.5149  10.549  4.0486  1.044332       6.064276 
1 1 1 13  -32 15 o 17.812  3.0621  46.694    16.018    85.587    24.558    17.895    21.133    23.697  4.0123  11.927  4.6267  11.77041       6.124101 
1 1 1 13  -32 16 o 9.4540  2.7852  3.6776    11.507    14.460    18.968    -2.6018   14.476    11.112  4.3628  7.7958  3.4633  3.316313       5.570309 
1 1 1 13  -32 17 o 13.006  3.2607  25.353    14.075    24.494    22.458    25.908    18.061    12.994  4.8319  13.018  4.3798  -0.2475262E-01 6.521456 
1 1 1 13  -32 18 o 16.082  3.4102  42.705    15.878    40.061    23.538    44.913    21.508    15.572  4.9875  16.591  4.6521  -1.018654      6.820388 
1 1 1 13  -32 19 o 20.145  3.2067  65.715    17.879    102.511   26.222    33.746    24.442    25.860  3.9076  14.430  5.0855  11.42934       6.413416 
1 1 1 13  -32 20 o 11.416  3.1755  14.035    14.268    26.780    22.585    5.5686    18.407    13.201  4.8574  9.6300  4.0915  3.571130       6.350936 
1 1 1 13  -32 21 o 11.748  3.0648  11.559    14.498    39.703    22.250    -9.2063   19.112    15.351  4.8420  8.1456  3.7585  7.205194       6.129553 
1 1 1 13  -32 22 o 22.696  4.5655  84.678    26.793    84.678    26.793    0.0000    0.0000    22.696  4.5655  ?       ?       ?              ?        
1 1 1 13  -32 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -32 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -32 25 o 18.731  4.8010  61.374    24.198    0.0000    0.0000    61.374    24.198    ?       ?       18.731  4.8010  ?              ?        
1 1 1 13  -32 26 o 12.585  3.4089  25.646    16.508    16.435    25.150    32.618    21.881    11.506  4.8296  13.664  4.8122  -2.158064      6.817765 
1 1 1 13  -32 27 o 13.913  3.2571  32.207    17.400    -2.0804   26.726    57.435    22.925    9.8412  4.5053  17.985  4.7049  -8.143906      6.514111 
1 1 1 13  -32 28 o 13.941  3.5902  36.080    17.353    36.576    25.574    35.657    23.623    13.975  5.1642  13.907  4.9890  0.6806850E-01  7.180447 
1 1 1 13  -32 29 o 7.3243  2.5224  -26.8438  15.238    -18.2832  24.171    -32.4911  19.631    8.1809  3.9110  6.4678  3.1867  1.713185       5.044889 
1 1 1 13  -32 30 f 24.510  3.3998  108.345   21.468    120.069   31.866    98.601    29.051    25.768  4.7934  23.252  4.8227  2.516329       6.799633 
1 1 1 13  -32 31 o 13.237  3.5715  34.120    18.592    19.083    27.658    46.514    25.111    11.418  4.9354  15.056  5.1637  -3.638111      7.142984 
1 1 1 13  -32 32 o 15.165  3.4799  45.577    18.671    75.681    26.731    16.897    26.091    19.414  5.0813  10.917  4.7559  8.497825       6.959726 
1 1 1 13  -32 33 o 12.682  3.4922  32.755    18.788    11.130    27.924    50.644    25.397    10.299  4.6723  15.065  5.1915  -4.766433      6.984472 
1 1 1 13  -32 34 o 6.9814  2.4187  -31.5512  15.856    -61.7088  23.379    -5.8646   21.576    5.8574  2.9654  8.1054  3.8219  -2.248002      4.837464 
1 1 1 13  -32 35 o 8.4516  2.8506  -4.7676   17.927    -3.5489   25.879    -5.8918   24.856    8.5786  4.0860  8.3247  3.9759  0.2538891      5.701195 
1 1 1 13  -31 0  o 33.009  2.3537  157.316   20.334    183.369   29.417    133.477   28.139    35.803  3.0981  30.215  3.5442  5.587410       4.707352 
1 1 1 13  -31 1  o 6.9817  3.1720  -6.1055   12.929    0.0000    0.0000    -6.1055   12.929    ?       ?       6.9817  3.1720  ?              ?        
1 1 1 13  -31 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -31 3  o 24.793  3.7391  90.588    24.058    90.588    24.058    0.0000    0.0000    24.793  3.7391  ?       ?       ?              ?        
1 1 1 13  -31 4  o 13.141  2.8788  21.986    12.191    42.354    18.760    7.0981    16.039    16.647  4.2058  9.6353  3.9321  7.011587       5.757643 
1 1 1 13  -31 5  o 38.943  2.1956  215.019   22.492    253.062   32.553    180.268   31.112    42.403  2.8833  35.483  3.3119  6.920349       4.391156 
1 1 1 13  -31 6  o 22.292  2.7806  74.015    15.943    70.578    23.242    77.071    21.911    21.668  4.1558  22.915  3.6955  -1.247583      5.561213 
1 1 1 13  -31 7  o 39.259  2.1791  218.019   22.697    233.823   32.560    203.081   31.655    40.699  3.0082  37.820  3.1536  2.878555       4.358251 
1 1 1 13  -31 8  o 12.310  3.0841  20.278    12.661    24.622    19.278    16.983    16.790    13.137  4.5233  11.484  4.1937  1.652830       6.168269 
1 1 1 13  -31 9  o 22.198  2.9040  73.605    16.599    74.490    24.307    72.832    22.721    22.258  4.2319  22.139  3.9778  0.1185093      5.807963 
1 1 1 13  -31 10 o 24.600  2.6268  89.325    16.559    76.790    23.904    100.890   22.960    22.688  4.0838  26.512  3.3050  -3.824646      5.253572 
1 1 1 13  -31 11 o 17.095  3.1692  44.238    14.792    55.065    22.000    35.306    19.983    18.977  4.4119  15.212  4.5508  3.764893       6.338302 
1 1 1 13  -31 12 f 21.164  3.0181  71.152    16.600    40.020    24.099    99.258    22.898    16.058  5.0354  26.270  3.3289  -10.21213      6.036266 
1 1 1 13  -31 13 o 14.906  3.1883  34.466    14.206    24.148    22.086    41.746    18.553    13.249  4.8143  16.563  4.1813  -3.314170      6.376569 
1 1 1 13  -31 14 o 10.561  2.8190  10.934    12.082    -6.0243   18.943    22.563    15.687    8.6498  3.8932  12.472  4.0781  -3.821671      5.638099 
1 1 1 13  -31 15 o 30.280  2.5249  133.326   20.060    132.285   28.957    134.287   27.814    30.101  3.6673  30.458  3.4714  -0.3570213     5.049707 
1 1 1 13  -31 16 o 33.883  2.3846  165.673   21.320    156.927   30.221    174.337   30.081    32.907  3.4815  34.858  3.2596  -1.950962      4.769248 
1 1 1 13  -31 17 o 14.714  3.2654  33.474    14.467    28.210    21.070    38.169    19.900    13.770  4.7296  15.659  4.5035  -1.889235      6.530756 
1 1 1 13  -31 18 o 18.743  3.1117  55.386    15.417    46.750    22.724    62.752    20.987    17.138  4.7733  20.347  3.9934  -3.208693      6.223477 
1 1 1 13  -31 19 o 24.411  2.8711  90.660    18.013    86.200    26.470    94.507    24.583    23.644  4.3396  25.179  3.7604  -1.534819      5.742210 
1 1 1 13  -31 20 o 13.074  3.3703  24.570    15.255    27.086    22.854    22.548    20.486    13.525  4.8999  12.623  4.6290  0.9014673      6.740654 
1 1 1 13  -31 21 o 31.641  2.4654  147.577   20.396    168.370   29.403    128.293   28.317    33.975  3.2714  29.306  3.6892  4.669193       4.930749 
1 1 1 13  -31 22 o 32.648  2.5216  159.047   21.624    151.757   31.151    165.827   30.041    31.766  3.7323  33.530  3.3916  -1.763735      5.043118 
1 1 1 13  -31 23 o 26.237  2.9200  107.266   19.710    122.303   28.220    92.945    27.539    28.319  3.8178  24.155  4.4193  4.163290       5.840013 
1 1 1 13  -31 24 o 15.325  3.1509  38.391    15.356    15.798    22.276    58.849    21.198    11.507  4.6569  19.142  4.2455  -7.635076      6.301716 
1 1 1 13  -31 25 o 11.916  3.0898  11.540    15.067    42.980    22.958    -12.2487  19.970    15.792  4.9086  8.0387  3.7542  7.753663       6.179669 
1 1 1 13  -31 26 o 14.937  3.5886  35.364    18.604    13.849    24.943    62.342    27.931    11.381  4.7951  18.494  5.3403  -7.112958      7.177111 
1 1 1 13  -31 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -31 28 o 8.5693  3.9648  -7.8410   21.486    0.0000    0.0000    -7.8410   21.486    ?       ?       8.5693  3.9648  ?              ?        
1 1 1 13  -31 29 o 15.419  3.6931  45.190    18.067    46.373    27.564    44.300    23.922    15.428  5.4032  15.411  5.0359  0.1790237E-01  7.386117 
1 1 1 13  -31 30 o 13.361  3.5109  32.341    16.785    36.144    24.224    28.829    23.280    13.909  5.0437  12.814  4.8854  1.094870       7.021852 
1 1 1 13  -31 31 o 10.454  3.1096  9.4038    16.020    -9.5998   23.414    26.129    21.966    8.6120  4.0358  12.297  4.7318  -3.684859      6.219129 
1 1 1 13  -31 32 o 8.5008  2.8052  -12.3043  15.847    6.8245    23.914    -27.2801  21.159    9.9876  4.4434  7.0140  3.4252  2.973577       5.610358 
1 1 1 13  -31 33 o 12.082  3.1553  16.169    17.829    -29.0289  26.442    53.845    24.142    7.8093  3.8168  16.354  5.0254  -8.544559      6.310570 
1 1 1 13  -31 34 o 11.346  3.1502  13.648    17.230    47.065    23.914    -22.4218  24.845    14.907  5.0396  7.7846  3.7812  7.122079       6.300406 
1 1 1 13  -31 35 o 13.288  3.6110  39.851    18.634    27.774    26.247    52.125    26.459    11.682  4.9202  14.895  5.2867  -3.213335      7.222053 
1 1 1 13  -31 36 o 14.306  3.7239  51.438    19.958    72.555    28.790    31.902    27.691    16.917  5.5244  11.696  4.9950  5.220350       7.447707 
1 1 1 13  -30 0  o 39.611  2.2085  221.888   23.220    233.941   33.131    210.252   32.553    40.715  3.0604  38.507  3.1848  2.207897       4.416908 
1 1 1 13  -30 1  o 14.571  2.9464  31.831    12.567    20.704    18.180    42.014    17.392    12.370  4.3831  16.772  3.9387  -4.402183      5.892789 
1 1 1 13  -30 2  o 38.081  2.1713  204.232   21.943    199.486   31.346    208.792   30.726    37.602  3.1411  38.559  2.9986  -0.9577370     4.342592 
1 1 1 13  -30 3  o 35.130  2.2248  174.339   20.666    166.378   29.667    181.845   28.805    34.273  3.2714  35.986  3.0162  -1.712925      4.449665 
1 1 1 13  -30 4  o 40.352  2.1437  229.065   22.877    206.735   32.641    250.624   32.073    38.293  3.2121  42.410  2.8398  -4.117397      4.287428 
1 1 1 13  -30 5  o 32.681  2.2309  150.616   19.257    147.399   27.767    153.598   26.730    32.291  3.2548  33.072  3.0520  -0.7807503     4.461836 
1 1 1 13  -30 6  o 25.160  2.5570  90.842    16.534    109.161   24.059    74.447    22.761    27.737  3.3034  22.584  3.9039  5.152840       5.114044 
1 1 1 13  -30 7  o 15.365  3.0403  33.354    13.721    51.997    20.512    18.258    18.458    18.690  4.1998  12.041  4.3971  6.649516       6.080534 
1 1 1 13  -30 8  o 26.123  2.4288  97.147    16.567    102.056   23.986    92.668    22.911    26.766  3.4241  25.479  3.4455  1.287403       4.857576 
1 1 1 13  -30 9  o 18.962  2.8211  52.424    13.864    63.199    20.640    43.565    18.714    20.810  3.8446  17.115  4.1297  3.694410       5.642264 
1 1 1 13  -30 10 o 15.325  3.0564  34.274    13.082    41.775    19.833    28.496    17.406    16.693  4.3806  13.958  4.2635  2.735128       6.112864 
1 1 1 13  -30 11 o 11.359  2.9368  13.469    11.749    25.293    18.817    5.9145    15.042    13.378  4.4706  9.3410  3.8095  4.036489       5.873559 
1 1 1 13  -30 12 o 16.103  3.1183  39.321    15.189    16.843    22.491    58.169    20.596    12.343  4.7773  19.864  4.0091  -7.521232      6.236614 
1 1 1 13  -30 13 o 17.586  3.1359  46.912    14.787    42.430    21.919    50.655    20.031    16.731  4.6981  18.442  4.1549  -1.710934      6.271809 
1 1 1 13  -30 14 o 44.105  2.1801  272.884   25.549    254.575   35.956    291.556   36.311    42.542  3.1784  45.668  2.9849  -3.125771      4.360283 
1 1 1 13  -30 15 o 54.135  2.1404  410.062   30.906    401.345   43.219    419.185   44.213    53.546  3.0258  54.724  3.0281  -1.178493      4.280777 
1 1 1 13  -30 16 o 16.883  3.2631  43.207    15.270    50.882    22.172    36.283    21.060    18.272  4.5481  15.493  4.6802  2.779825       6.526110 
1 1 1 13  -30 17 o 9.8736  2.8203  6.3879    12.174    -6.3067   19.034    15.175    15.836    8.6904  3.9079  11.057  4.0675  -2.366468      5.640589 
1 1 1 13  -30 18 o 9.4900  2.8172  3.4151    12.413    -5.0688   18.799    9.9733    16.528    8.7468  3.9120  10.233  4.0550  -1.486463      5.634453 
1 1 1 13  -30 19 o 12.318  3.1787  20.012    13.865    13.216    21.117    25.161    18.382    11.466  4.5708  13.170  4.4186  -1.704768      6.357378 
1 1 1 13  -30 20 o 20.616  2.9446  64.271    15.695    66.964    22.559    61.744    21.852    21.053  4.1480  20.179  4.1805  0.8742485      5.889157 
1 1 1 13  -30 21 o 34.416  2.3580  170.728   21.462    173.897   30.486    167.615   30.219    34.748  3.3158  34.084  3.3535  0.6644211      4.716032 
1 1 1 13  -30 22 o 24.952  2.8435  93.842    18.312    93.271    26.778    94.343    25.097    24.768  4.1855  25.136  3.8502  -0.3681335     5.687098 
1 1 1 13  -30 23 o 8.0030  2.6009  -9.9563   12.574    -4.8550   19.445    -13.6219  16.483    8.7868  3.9506  7.2192  3.3841  1.567609       5.201872 
1 1 1 13  -30 24 o 11.692  3.1469  17.301    13.965    9.7283    20.208    24.222    19.320    10.603  4.3800  12.781  4.5196  -2.177445      6.293733 
1 1 1 13  -30 25 o 11.158  3.1243  10.864    14.409    27.119    22.035    -1.2792   19.046    13.325  4.8137  8.9898  3.9841  4.335661       6.248610 
1 1 1 13  -30 26 o 19.774  3.2859  64.897    17.108    58.904    25.460    69.829    23.099    18.615  5.0001  20.934  4.2645  -2.318920      6.571715 
1 1 1 13  -30 27 o 12.645  3.1582  22.610    14.910    3.3390    21.659    39.969    20.557    9.8558  4.3123  15.435  4.6153  -5.579134      6.316441 
1 1 1 13  -30 28 o 11.055  3.2369  11.263    15.949    24.438    23.977    0.8072    21.361    12.650  4.9224  9.4606  4.2047  3.189390       6.473751 
1 1 1 13  -30 29 o 23.228  4.6483  91.680    27.910    91.680    27.910    0.0000    0.0000    23.228  4.6483  ?       ?       ?              ?        
1 1 1 13  -30 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -30 31 o 10.585  3.1129  7.5549    15.742    29.325    23.147    -11.1790  21.473    12.945  4.8868  8.2244  3.8575  4.720671       6.225878 
1 1 1 13  -30 32 o 8.0508  3.7458  -42.7480  14.090    -79.8660  20.282    -8.1226   19.589    ?       ?       8.0508  3.7458  ?              ?        
1 1 1 13  -30 33 o 10.691  3.2416  13.640    16.609    14.396    23.790    12.922    23.199    10.800  4.6215  10.582  4.5469  0.2180433      6.483280 
1 1 1 13  -30 34 o 12.620  3.3455  26.381    17.651    -0.3775   25.911    49.548    24.110    9.5312  4.3901  15.709  5.0495  -6.178170      6.691046 
1 1 1 13  -30 35 o 12.035  3.4245  26.458    17.601    13.943    25.439    37.951    24.379    10.563  4.6464  13.506  5.0319  -2.943060      6.849011 
1 1 1 13  -30 36 o 8.9983  2.9334  -0.9860   16.723    11.422    23.762    -13.1613  23.539    9.9715  4.4332  8.0251  3.8427  1.946397       5.866786 
1 1 1 13  -30 37 o 11.136  3.3452  22.383    18.740    1.4126    27.187    41.366    25.868    9.2029  4.3242  13.070  5.1052  -3.866771      6.690447 
1 1 1 13  -30 38 o 10.753  3.3610  25.636    19.178    32.314    27.081    18.918    27.163    11.368  4.8988  10.139  4.6030  1.229379       6.722072 
1 1 1 13  -29 0  o 32.398  2.2616  147.652   19.367    146.133   27.498    149.148   27.281    32.216  3.2302  32.580  3.1663  -0.3638954     4.523199 
1 1 1 13  -29 1  o 37.686  2.1314  198.573   21.204    174.920   29.903    222.494   30.072    35.318  3.1957  40.054  2.8211  -4.735779      4.262719 
1 1 1 13  -29 2  o 20.590  2.6174  61.352    13.825    73.360    19.849    50.036    19.268    22.715  3.3641  18.464  4.0107  4.250799       5.234791 
1 1 1 13  -29 3  o 30.760  2.2069  132.733   17.866    124.370   25.673    140.586   24.878    29.743  3.2770  31.777  2.9568  -2.033850      4.413778 
1 1 1 13  -29 4  o 25.731  2.4276  95.335    15.882    74.905    22.831    114.490   22.107    22.785  3.8799  28.677  2.9188  -5.891764      4.855244 
1 1 1 13  -29 5  o 56.534  2.0515  441.118   30.915    482.086   44.138    401.663   43.315    59.215  2.7828  53.854  3.0150  5.361069       4.102949 
1 1 1 13  -29 6  o 22.010  2.6452  69.964    14.953    62.797    21.604    76.554    20.716    20.787  4.0256  23.232  3.4325  -2.445044      5.290336 
1 1 1 13  -29 7  o 41.306  2.0666  236.077   22.715    233.784   32.199    238.350   32.050    41.095  2.9448  41.516  2.9004  -0.4211960     4.133247 
1 1 1 13  -29 8  o 14.593  2.8877  31.277    12.272    19.060    18.098    41.676    16.696    12.248  4.3696  16.939  3.7763  -4.691381      5.775303 
1 1 1 13  -29 9  o 22.449  2.6445  72.286    15.145    90.386    21.979    55.920    20.899    25.331  3.3193  19.568  4.1177  5.762779       5.289010 
1 1 1 13  -29 10 o 19.775  2.8154  57.110    14.366    52.439    20.895    61.297    19.784    18.898  4.2331  20.652  3.7132  -1.753962      5.630859 
1 1 1 13  -29 11 o 18.567  2.8515  50.006    13.812    61.246    20.239    40.210    18.896    20.605  3.8074  16.528  4.2459  4.077515       5.702921 
1 1 1 13  -29 12 o 14.517  3.1654  30.598    13.639    25.567    20.412    34.657    18.332    13.664  4.6558  15.369  4.2898  -1.704365      6.330751 
1 1 1 13  -29 13 o 10.828  2.9186  10.341    11.936    20.739    18.489    2.9109    15.629    12.583  4.4242  9.0728  3.8077  3.510430       5.837195 
1 1 1 13  -29 14 o 22.261  2.8091  72.589    15.990    64.656    23.648    79.271    21.703    20.941  4.3579  23.581  3.5459  -2.639465      5.618243 
1 1 1 13  -29 15 o 18.381  3.0563  49.638    14.822    58.695    21.872    41.947    20.155    19.963  4.2223  16.798  4.4198  3.165207       6.112517 
1 1 1 13  -29 16 o 64.077  2.1692  569.460   37.218    550.246   52.177    589.364   53.105    62.958  3.0941  65.196  3.0410  -2.238594      4.338379 
1 1 1 13  -29 17 o 13.102  3.0827  23.141    13.578    8.9580    20.215    34.800    18.328    10.881  4.4245  15.322  4.2937  -4.441047      6.165411 
1 1 1 13  -29 18 o 14.960  3.0327  31.631    13.469    48.329    19.920    17.568    18.281    18.017  4.2046  11.904  4.3716  6.112516       6.065413 
1 1 1 13  -29 19 o 41.731  2.1660  244.013   24.042    243.258   34.006    244.767   33.994    41.663  3.0689  41.799  3.0575  -0.1364479     4.332061 
1 1 1 13  -29 20 o 25.732  2.5893  95.827    16.932    121.732   24.619    72.574    23.325    29.312  3.1871  22.152  4.0816  7.160128       5.178526 
1 1 1 13  -29 21 o 17.280  3.0975  46.196    14.900    29.841    21.647    60.921    20.540    14.278  4.7949  20.283  3.9227  -6.004911      6.195013 
1 1 1 13  -29 22 o 35.575  2.2457  179.750   21.168    182.991   30.335    176.674   29.553    35.880  3.1898  35.269  3.1619  0.6110992      4.491347 
1 1 1 13  -29 23 o 7.7751  2.5306  -16.7470  12.563    1.2348    18.811    -31.2244  16.879    9.4226  4.0716  6.1276  3.0063  3.294995       5.061209 
1 1 1 13  -29 24 o 38.103  2.2685  208.201   22.913    205.763   32.991    210.472   31.848    37.823  3.2893  38.383  3.1249  -0.5602455     4.536998 
1 1 1 13  -29 25 o 27.210  2.6360  109.228   18.634    122.312   27.523    98.156    25.319    28.775  3.6533  25.645  3.8010  3.129742       5.272016 
1 1 1 13  -29 26 o 20.947  3.1235  69.611    17.008    56.383    24.225    82.469    23.883    18.629  4.8187  23.265  3.9754  -4.636517      6.246963 
1 1 1 13  -29 27 o 11.178  3.1681  13.899    14.455    16.937    20.732    11.025    20.166    11.637  4.5636  10.718  4.3955  0.9186430      6.336205 
1 1 1 13  -29 28 o 30.218  2.6219  138.587   20.762    140.989   29.997    136.378   28.766    30.421  3.7616  30.015  3.6535  0.4062862      5.243827 
1 1 1 13  -29 29 f 7.6142  2.5388  -14.8434  13.435    -19.7302  20.503    -11.1666  17.785    7.5998  3.6246  7.6285  3.5559  -0.2868843E-01 5.077613 
1 1 1 13  -29 30 o 19.347  3.3281  65.431    17.711    44.348    25.274    85.771    24.825    15.681  5.1788  23.013  4.1815  -7.331769      6.656198 
1 1 1 13  -29 31 o 10.860  4.5899  12.582    22.968    12.582    22.968    0.0000    0.0000    10.860  4.5899  ?       ?       ?              ?        
1 1 1 13  -29 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -29 33 f 7.7346  2.5694  -17.1465  14.399    -39.3835  21.334    1.4587    19.514    6.5144  3.2300  8.9548  3.9968  -2.440438      5.138746 
1 1 1 13  -29 34 o 10.326  3.1795  8.4359    17.045    -4.4923   24.711    20.168    23.541    9.1690  4.2457  11.484  4.7339  -2.314632      6.358945 
1 1 1 13  -29 35 o 8.0435  2.6611  -23.4519  15.617    10.950    22.208    -57.1111  21.967    10.182  4.4117  5.9055  2.9771  4.275956       5.322263 
1 1 1 13  -29 36 o 11.783  3.3339  19.756    18.379    -9.5464   26.840    45.623    25.218    8.8973  4.2155  14.668  5.1661  -5.770918      6.667751 
1 1 1 13  -29 37 o 11.132  3.3933  21.297    18.390    21.528    26.042    21.067    25.971    11.157  4.8059  11.107  4.7918  0.4971504E-01  6.786621 
1 1 1 13  -29 38 o 26.271  3.5802  143.684   24.266    153.525   35.033    134.609   33.643    27.337  4.9675  25.205  5.1571  2.132345       7.160430 
1 1 1 13  -29 39 o 10.177  3.1583  12.081    18.383    -17.7210  25.957    42.073    26.039    7.7364  3.7813  12.617  5.0598  -4.880361      6.316645 
1 1 1 13  -28 0  o 34.014  2.1281  160.506   19.188    161.581   27.283    159.454   26.990    34.125  3.0160  33.903  3.0033  0.2220078      4.256264 
1 1 1 13  -28 1  f 38.714  2.0523  206.939   21.123    204.144   29.967    209.700   29.778    38.441  2.9326  38.988  2.8718  -0.5465775     4.104532 
1 1 1 13  -28 2  o 21.583  2.5418  66.934    14.038    56.866    20.241    76.266    19.486    19.848  3.9463  23.319  3.2045  -3.471060      5.083516 
1 1 1 13  -28 3  o 10.148  2.6091  10.602    9.8842    0.0301    14.677    19.377    13.371    8.4491  3.6231  11.847  3.7553  -3.397639      5.218177 
1 1 1 13  -28 4  o 43.338  2.0123  258.366   23.106    291.883   33.097    226.501   32.272    46.152  2.6890  40.524  2.9944  5.628502       4.024559 
1 1 1 13  -28 5  o 44.611  1.9983  273.266   23.737    286.685   33.821    260.239   33.324    45.714  2.7753  43.508  2.8758  2.205681       3.996539 
1 1 1 13  -28 6  o 25.792  2.3423  93.146    15.785    90.541    22.674    95.595    21.987    25.401  3.4196  26.182  3.2019  -0.7812614     4.684652 
1 1 1 13  -28 7  o 47.489  2.0265  309.664   25.655    307.828   36.406    311.475   36.159    47.341  2.8849  47.637  2.8469  -0.2959442     4.053077 
1 1 1 13  -28 8  o 58.640  2.0324  470.624   31.919    466.361   45.297    474.828   44.984    58.366  2.8975  58.914  2.8507  -0.5479622     4.064729 
1 1 1 13  -28 9  o 25.609  2.4017  91.898    16.065    93.798    22.974    90.081    22.471    25.871  3.3976  25.346  3.3953  0.5244293      4.803333 
1 1 1 13  -28 10 o 8.5744  2.5626  0.2943    10.197    6.4602    15.373    -4.5497   13.626    9.6160  3.8767  7.5329  3.3526  2.083087       5.125241 
1 1 1 13  -28 11 o 19.726  2.8497  56.677    14.749    84.943    21.450    31.324    20.314    24.612  3.3401  14.840  4.6181  9.772021       5.699427 
1 1 1 13  -28 12 o 48.816  2.0850  328.107   27.106    344.145   38.296    312.004   38.373    50.051  2.8686  47.581  3.0267  2.470043       4.170075 
1 1 1 13  -28 13 o 12.415  3.0371  15.940    13.488    34.268    19.906    0.3802    18.340    15.387  4.5271  9.4440  4.0499  5.942763       6.074252 
1 1 1 13  -28 14 o 34.796  2.2064  168.203   20.289    180.847   28.652    155.487   28.733    36.170  2.9841  33.422  3.2508  2.747570       4.412808 
1 1 1 13  -28 15 o 45.421  2.0762  284.709   25.094    289.489   34.859    279.567   36.154    45.856  2.8522  44.987  3.0179  0.8687286      4.152472 
1 1 1 13  -28 16 o 64.782  2.1376  577.952   37.089    570.960   52.203    585.079   52.703    64.383  3.0271  65.180  3.0188  -0.7961197     4.275138 
1 1 1 13  -28 17 o 35.281  2.1905  173.029   20.487    176.235   29.233    169.934   28.720    35.605  3.0961  34.957  3.0995  0.6480255      4.380977 
1 1 1 13  -28 18 o 49.171  2.0731  334.382   27.174    327.221   38.430    341.543   38.430    48.626  2.9648  49.717  2.8984  -1.091377      4.146163 
1 1 1 13  -28 19 o 65.806  2.1303  598.766   37.543    585.874   52.788    611.962   53.406    65.078  3.0284  66.534  2.9968  -1.455147      4.260523 
1 1 1 13  -28 20 o 24.787  2.6319  89.707    16.515    69.378    23.678    108.968   23.047    21.725  4.2211  27.848  3.1449  -6.123285      5.263839 
1 1 1 13  -28 21 f 21.928  2.7843  69.810    15.716    78.872    23.006    61.882    21.518    23.339  3.8119  20.517  4.0595  2.821804       5.568657 
1 1 1 13  -28 22 o 12.086  3.1504  17.836    13.464    22.003    19.845    14.281    18.328    12.844  4.5764  11.327  4.3310  1.516701       6.300898 
1 1 1 13  -28 23 o 18.249  3.0709  49.667    14.819    59.726    22.064    41.400    20.003    19.964  4.2561  16.534  4.4281  3.430361       6.141874 
1 1 1 13  -28 24 o 30.042  2.3420  128.925   18.528    129.470   26.495    128.404   25.919    30.086  3.3444  29.997  3.2793  0.8896637E-01  4.683914 
1 1 1 13  -28 25 o 29.467  2.4062  125.125   18.606    133.924   26.536    116.615   26.096    30.561  3.2939  28.374  3.5085  2.186508       4.812377 
1 1 1 13  -28 26 o 11.323  3.1588  13.762    14.239    9.0218    21.054    17.758    19.331    10.804  4.4674  11.842  4.4670  -1.038186      6.317533 
1 1 1 13  -28 27 o 33.057  2.3860  159.290   20.724    153.483   30.384    164.343   28.339    32.337  3.5673  33.777  3.1695  -1.439426      4.771952 
1 1 1 13  -28 28 o 30.219  2.5893  137.862   19.911    108.133   28.563    165.967   27.771    26.546  4.1532  33.891  3.0934  -7.345451      5.178611 
1 1 1 13  -28 29 o 15.820  3.4549  41.087    16.232    49.089    23.667    33.979    22.305    17.155  4.9045  14.484  4.8672  2.670881       6.909748 
1 1 1 13  -28 30 o 25.551  3.0084  104.883   19.527    86.074    28.294    121.991   26.985    22.772  4.7906  28.330  3.6404  -5.558516      6.016808 
1 1 1 13  -28 31 o 21.668  3.2436  80.202    18.443    54.825    26.348    104.581   25.824    17.473  5.2252  25.864  3.8447  -8.391699      6.487238 
1 1 1 13  -28 32 o 24.092  3.1421  96.773    19.516    101.734   27.564    91.786    27.636    24.883  4.2906  23.300  4.5915  1.583057       6.284218 
1 1 1 13  -28 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -28 34 f 18.275  5.1631  63.699    26.389    0.0000    0.0000    63.699    26.389    ?       ?       18.275  5.1631  ?              ?        
1 1 1 13  -28 35 o 14.944  3.0163  30.740    17.800    83.134    25.620    -18.1524  24.749    21.644  4.5631  8.2448  3.9458  13.39879       6.032527 
1 1 1 13  -28 36 f 14.748  3.7280  44.797    18.677    40.703    26.095    49.098    26.745    14.142  5.2184  15.354  5.3254  -1.212074      7.455946 
1 1 1 13  -28 37 o 9.5633  3.0860  1.0810    17.784    13.087    25.608    -10.1022  24.715    10.553  4.6510  8.5738  4.0573  1.978941       6.172006 
1 1 1 13  -28 38 o 26.295  3.5805  138.769   24.187    183.733   35.091    98.077    33.383    32.015  4.1929  20.574  5.8051  11.44126       7.161029 
1 1 1 13  -28 39 o 11.064  3.3760  20.726    19.291    40.864    27.366    0.8354    27.197    12.926  5.1860  9.2011  4.3239  3.724979       6.752065 
1 1 1 13  -28 40 o 11.508  3.3578  20.081    20.012    -21.2531  27.570    66.110    29.094    7.7561  3.8127  15.259  5.5284  -7.502913      6.715603 
1 1 1 13  -27 0  o 36.058  2.0876  179.011   19.983    182.213   28.335    175.842   28.187    36.388  2.9321  35.729  2.9723  0.6589584      4.175135 
1 1 1 13  -27 1  o 45.731  2.0275  287.476   24.602    258.928   34.871    315.768   34.714    43.400  3.0186  48.063  2.7076  -4.663780      4.054967 
1 1 1 13  -27 2  f 9.6021  2.4948  6.9174    9.2544    19.193    13.563    -3.7760   12.659    11.861  3.7846  7.3436  3.2516  4.516892       4.989662 
1 1 1 13  -27 3  o 42.723  1.9908  249.869   22.652    254.385   32.121    245.402   31.948    43.115  2.7966  42.331  2.8341  0.7835808      3.981576 
1 1 1 13  -27 4  o 28.450  2.1766  112.187   16.267    105.971   23.434    117.967   22.599    27.636  3.2265  29.264  2.9222  -1.628139      4.353112 
1 1 1 13  -27 5  o 21.241  2.4199  63.371    13.292    64.731    19.215    62.122    18.405    21.453  3.4618  21.029  3.3823  0.4239025      4.839802 
1 1 1 13  -27 6  o 39.981  2.0154  219.033   21.424    209.706   30.320    228.333   30.277    39.106  2.9156  40.856  2.7833  -1.749805      4.030876 
1 1 1 13  -27 7  o 30.939  2.2095  134.250   17.481    99.552    24.663    169.280   24.781    26.689  3.5373  35.189  2.6486  -8.500023      4.418968 
1 1 1 13  -27 8  o 38.383  2.0202  201.901   20.618    204.284   29.071    199.488   29.248    38.621  2.8300  38.146  2.8839  0.4745407      4.040457 
1 1 1 13  -27 9  o 22.420  2.5282  70.615    14.614    80.099    21.180    61.997    20.190    23.934  3.3994  20.906  3.7430  3.027142       5.056333 
1 1 1 13  -27 10 o 29.590  2.5883  114.284   19.365    160.941   32.747    89.195    24.013    33.986  3.6548  25.194  3.6659  8.791769       5.176531 
1 1 1 13  -27 11 o 50.420  2.8905  347.962   38.873    0.0000    0.0000    347.962   38.873    ?       ?       50.420  2.8905  ?              ?        
1 1 1 13  -27 12 o 11.452  4.3499  13.642    18.412    0.0000    0.0000    13.642    18.412    ?       ?       11.452  4.3499  ?              ?        
1 1 1 13  -27 13 o 62.402  2.9980  532.574   50.110    0.0000    0.0000    532.574   50.110    ?       ?       62.402  2.9980  ?              ?        
1 1 1 13  -27 14 o 46.464  2.9239  296.211   36.203    0.0000    0.0000    296.211   36.203    ?       ?       46.464  2.9239  ?              ?        
1 1 1 13  -27 15 o 7.7817  3.4318  -3.4834   13.963    0.0000    0.0000    -3.4834   13.963    ?       ?       7.7817  3.4318  ?              ?        
1 1 1 13  -27 16 o 80.749  2.2512  896.148   48.682    872.693   68.413    920.208   69.290    79.665  3.2062  81.834  3.1611  -2.169769      4.502486 
1 1 1 13  -27 17 o 44.431  2.0356  271.412   24.084    262.097   33.970    280.826   34.151    43.644  2.9228  45.219  2.8340  -1.574280      4.071124 
1 1 1 13  -27 18 o 41.470  2.0644  237.003   22.780    240.538   32.117    233.424   32.317    41.795  2.8866  41.144  2.9521  0.6512794      4.128850 
1 1 1 13  -27 19 o 9.9098  2.8401  4.8354    11.908    13.681    18.082    -1.9384   15.824    11.330  4.3090  8.4898  3.7011  2.840149       5.680285 
1 1 1 13  -27 20 o 14.743  3.1268  31.651    13.465    25.852    20.095    36.377    18.141    13.723  4.6197  15.764  4.2149  -2.040792      6.253576 
1 1 1 13  -27 21 o 28.639  2.3099  115.459   17.327    108.575   25.039    121.786   24.003    27.736  3.4445  29.542  3.0788  -1.805508      4.619885 
1 1 1 13  -27 22 o 24.169  2.5797  83.196    16.049    98.210    23.463    69.993    22.002    26.342  3.4050  21.995  3.8763  4.347290       5.159459 
1 1 1 13  -27 23 o 17.652  2.9855  46.709    14.073    36.692    20.273    56.026    19.551    15.709  4.5536  19.596  3.8623  -3.886369      5.970992 
1 1 1 13  -27 24 f 29.799  2.3923  126.529   18.653    118.342   27.061    133.940   25.747    28.763  3.5907  30.835  3.1622  -2.071932      4.784597 
1 1 1 13  -27 25 o 14.834  3.2425  32.980    14.419    25.767    21.399    38.978    19.515    13.598  4.7608  16.070  4.4033  -2.472165      6.484959 
1 1 1 13  -27 26 o 46.421  2.1042  301.971   25.971    329.628   37.712    277.021   35.818    48.487  2.9174  44.356  3.0330  4.131035       4.208372 
1 1 1 13  -27 27 o 29.472  2.3835  124.825   18.393    139.719   26.621    111.220   25.442    31.251  3.2267  27.692  3.5088  3.559162       4.766922 
1 1 1 13  -27 28 o 26.268  2.5872  101.668   17.581    115.321   25.152    88.626    24.583    28.173  3.4021  24.363  3.8987  3.810181       5.174385 
1 1 1 13  -27 29 o 12.718  2.9332  20.100    14.161    -8.3803   21.190    43.082    19.035    8.8387  4.0331  16.598  4.2602  -7.759248      5.866456 
1 1 1 13  -27 30 o 11.566  2.9916  10.107    14.189    37.135    21.019    -12.5199  19.233    15.161  4.6943  7.9713  3.7098  7.189263       5.983191 
1 1 1 13  -27 31 o 18.938  3.4001  60.087    17.323    55.129    25.144    64.565    23.899    17.997  5.0242  19.878  4.5825  -1.880110      6.800130 
1 1 1 13  -27 32 o 11.967  3.3665  19.195    16.240    14.967    22.753    23.584    23.187    11.358  4.6648  12.575  4.8551  -1.216226      6.732995 
1 1 1 13  -27 33 o 32.936  2.6425  169.036   22.882    176.643   33.101    162.076   31.666    33.651  3.7356  32.222  3.7385  1.429089       5.284956 
1 1 1 13  -27 34 o 24.437  4.6099  102.344   29.068    102.344   29.068    0.0000    0.0000    24.437  4.6099  ?       ?       ?              ?        
1 1 1 13  -27 35 o 9.0096  4.1951  -7.8133   24.645    0.0000    0.0000    -7.8133   24.645    ?       ?       9.0096  4.1951  ?              ?        
1 1 1 13  -27 36 o 12.332  3.1892  19.589    16.984    50.155    23.446    -14.1567  24.635    16.184  4.9490  8.4795  4.0237  7.704439       6.378335 
1 1 1 13  -27 37 o 16.755  3.8058  58.455    19.433    63.506    27.704    53.563    27.267    17.527  5.3831  15.984  5.3814  1.543464       7.611608 
1 1 1 13  -27 38 o 15.266  3.8422  51.139    20.143    64.559    29.343    39.177    27.702    16.992  5.5785  13.540  5.2848  3.452180       7.684320 
1 1 1 13  -27 39 o 16.259  3.9104  62.974    20.873    51.239    29.748    74.355    29.295    14.503  5.5243  18.014  5.5359  -3.510646      7.820752 
1 1 1 13  -27 40 o 14.735  3.9485  58.586    21.424    58.685    29.981    58.484    30.626    14.804  5.5674  14.665  5.6006  0.1384373      7.897001 
1 1 1 13  -27 41 o 14.700  4.0505  69.738    23.275    61.678    33.353    77.389    32.496    13.678  5.6362  15.722  5.8189  -2.043576      8.101005 
1 1 1 13  -26 0  o 62.001  2.0756  523.989   34.458    512.015   48.940    535.762   48.525    61.282  2.9816  62.721  2.8885  -1.439140      4.151272 
1 1 1 13  -26 1  o 19.463  2.4890  54.622    12.278    73.930    17.462    35.745    17.266    23.138  2.8801  15.788  4.0602  7.349996       4.977982 
1 1 1 13  -26 2  o 16.928  2.5908  41.357    11.525    28.313    16.325    54.318    16.273    14.146  4.0821  19.710  3.1914  -5.563841      5.181544 
1 1 1 13  -26 3  o 47.246  1.9575  304.454   24.644    292.182   34.928    316.621   34.777    46.275  2.8316  48.217  2.7037  -1.941654      3.915078 
1 1 1 13  -26 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -26 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -26 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -26 7  o 37.984  2.2848  195.987   22.395    188.817   28.333    207.925   36.560    37.164  2.8685  38.804  3.5572  -1.640320      4.569667 
1 1 1 13  -26 8  o 53.821  1.9899  394.653   28.582    400.538   40.306    388.700   40.538    54.236  2.7839  53.407  2.8441  0.8289757      3.979859 
1 1 1 13  -26 9  o 35.248  2.0252  170.580   18.860    187.079   26.508    153.664   26.841    37.035  2.6906  33.462  3.0275  3.573078       4.050319 
1 1 1 13  -26 10 o 15.004  2.7642  32.227    11.220    30.315    16.470    33.882    15.325    14.601  4.0628  15.406  3.7494  -0.8047123     5.528472 
1 1 1 13  -26 11 o 29.100  2.2215  116.959   16.986    126.653   24.049    107.309   23.994    30.355  2.9969  27.844  3.2801  2.511070       4.443068 
1 1 1 13  -26 12 o 45.969  2.0211  288.524   24.745    275.287   34.791    302.075   35.202    44.882  2.9097  47.056  2.8058  -2.173443      4.042111 
1 1 1 13  -26 13 o 25.286  2.4732  89.217    16.299    90.125    23.321    88.350    22.788    25.407  3.5217  25.165  3.4733  0.2416477      4.946353 
1 1 1 13  -26 14 o 26.954  2.2606  101.145   15.869    113.127   22.301    88.856    22.584    28.666  2.9464  25.241  3.4293  3.425257       4.521179 
1 1 1 13  -26 15 o 30.455  2.1982  128.352   17.597    140.509   24.823    116.069   24.950    31.972  2.9313  28.938  3.2767  3.034428       4.396455 
1 1 1 13  -26 16 o 9.7837  2.7119  7.2436    10.782    -1.6247   16.333    14.092    14.353    8.7168  3.7803  10.850  3.8893  -2.133659      5.423739 
1 1 1 13  -26 17 f 74.431  2.1455  758.620   42.720    795.411   60.123    721.104   60.712    76.303  2.9418  72.560  3.1238  3.742714       4.290990 
1 1 1 13  -26 18 f 20.155  4.0853  58.449    21.299    58.449    21.299    0.0000    0.0000    20.155  4.0853  ?       ?       ?              ?        
1 1 1 13  -26 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -26 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -26 21 o 43.362  2.8473  258.708   32.886    0.0000    0.0000    258.708   32.886    ?       ?       43.362  2.8473  ?              ?        
1 1 1 13  -26 22 o 34.568  2.1529  167.583   19.458    144.023   28.237    188.888   26.852    32.095  3.3334  37.041  2.7256  -4.946396      4.305829 
1 1 1 13  -26 23 o 17.200  3.0431  44.099    14.302    31.336    20.638    55.893    19.839    14.766  4.6640  19.633  3.9100  -4.866965      6.086108 
1 1 1 13  -26 24 o 18.137  2.9893  48.833    14.322    41.142    20.505    56.158    20.012    16.642  4.4945  19.632  3.9425  -2.989981      5.978610 
1 1 1 13  -26 25 o 39.603  2.1332  218.095   22.357    246.408   32.437    192.470   30.859    42.120  2.8927  37.085  3.1360  5.034554       4.266387 
1 1 1 13  -26 26 o 22.509  2.7465  74.026    15.933    69.307    22.708    78.603    22.363    21.707  4.0547  23.311  3.7056  -1.603912      5.492957 
1 1 1 13  -26 27 o 28.515  2.4279  116.659   18.103    110.446   26.118    122.403   25.115    27.681  3.6084  29.349  3.2494  -1.667892      4.855833 
1 1 1 13  -26 28 o 11.198  2.8875  11.347    12.930    -8.0501   18.653    29.289    17.940    8.3975  3.8132  13.999  4.3371  -5.601964      5.775081 
1 1 1 13  -26 29 o 21.912  2.9412  72.549    16.511    105.131   24.406    45.053    22.421    26.893  3.4692  16.932  4.7505  9.961237       5.882389 
1 1 1 13  -26 30 o 16.251  3.3382  42.162    15.792    31.330    22.784    52.177    21.908    14.301  4.9179  18.202  4.5154  -3.901098      6.676365 
1 1 1 13  -26 31 o 13.166  3.3432  25.751    15.017    28.109    21.532    23.517    20.954    13.568  4.7741  12.764  4.6814  0.8040638      6.686419 
1 1 1 13  -26 32 f 22.934  3.1138  85.729    18.248    63.874    26.467    105.533   25.194    19.448  5.0397  26.421  3.6583  -6.972330      6.227512 
1 1 1 13  -26 33 o 31.907  2.8287  159.014   22.189    221.264   32.436    104.261   30.420    38.699  3.1568  25.115  4.6947  13.58395       5.657342 
1 1 1 13  -26 34 o 25.310  3.1600  106.061   20.230    144.159   29.608    72.700    27.706    30.433  3.7090  20.187  5.1172  10.24582       6.319963 
1 1 1 13  -26 35 o 9.9450  3.0222  -2.6098   16.416    -30.4266  23.172    25.416    23.259    7.3920  3.6042  12.498  4.8523  -5.105984      6.044433 
1 1 1 13  -26 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -26 37 o 12.354  3.1954  17.471    17.498    52.992    24.344    -20.4924  25.167    16.535  5.0403  8.1729  3.9291  8.361739       6.390815 
1 1 1 13  -26 38 o 13.483  3.6299  35.688    19.085    20.985    28.109    48.263    25.995    11.677  5.0108  15.288  5.2532  -3.611602      7.259764 
1 1 1 13  -26 39 o 13.975  3.8416  43.620    20.630    41.773    28.731    45.586    29.641    13.764  5.3793  14.185  5.4859  -0.4208899     7.683248 
1 1 1 13  -26 40 o 14.889  4.0128  56.673    22.224    54.496    31.488    58.833    31.372    14.604  5.6525  15.173  5.6972  -0.5682116     8.025565 
1 1 1 13  -26 41 f 9.8644  3.2497  9.5515    20.956    7.7251    29.481    11.417    29.795    9.7302  4.5498  9.9986  4.6413  -0.2684326     6.499398 
1 1 1 13  -25 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -25 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -25 2  o 67.209  2.0570  613.100   37.027    622.840   52.554    603.500   52.176    67.743  2.8964  66.675  2.9216  1.067787       4.113918 
1 1 1 13  -25 3  f 14.409  2.6743  29.243    10.503    34.413    15.263    24.591    14.476    15.560  3.7137  13.257  3.8492  2.302889       5.348636 
1 1 1 13  -25 4  o 13.701  2.7164  25.863    10.578    34.338    15.489    18.454    14.481    15.543  3.7611  11.858  3.9203  3.684671       5.432715 
1 1 1 13  -25 5  o 38.268  1.9314  199.257   19.655    208.311   27.973    190.428   27.623    39.141  2.6844  37.395  2.7777  1.746033       3.862838 
1 1 1 13  -25 6  o 23.783  2.3588  79.253    14.101    104.866   20.380    55.730    19.530    27.691  2.7855  19.874  3.8074  7.816111       4.717603 
1 1 1 13  -25 7  f 69.454  2.0702  654.053   38.510    663.529   54.647    644.706   54.276    69.957  2.9164  68.951  2.9389  1.005867       4.140338 
1 1 1 13  -25 8  o 89.371  2.2796  1085.85   54.565    1078.54   77.353    1093.08   76.983    89.064  3.2425  89.678  3.2049  -0.6140137     4.559104 
1 1 1 13  -25 9  o 61.087  2.0376  505.886   33.321    485.400   46.992    526.602   47.256    59.830  2.9323  62.344  2.8299  -2.514042      4.075186 
1 1 1 13  -25 10 o 10.890  2.7085  9.2312    10.925    26.818    16.566    -4.3064   14.534    13.880  4.1415  7.8999  3.4917  5.980195       5.417001 
1 1 1 13  -25 11 o 13.870  2.8604  26.985    11.294    25.078    16.495    28.667    15.496    13.496  4.1551  14.245  3.9323  -0.7495060     5.720859 
1 1 1 13  -25 12 o 11.572  2.7350  16.398    10.706    4.9317    15.918    25.870    14.467    9.5849  3.9150  13.559  3.8201  -3.974241      5.469980 
1 1 1 13  -25 13 o 87.970  2.2768  1053.62   53.641    1062.59   75.552    1044.50   76.171    88.360  3.1923  87.580  3.2471  0.7796631      4.553527 
1 1 1 13  -25 14 o 43.879  1.9973  262.148   23.318    244.710   32.567    280.494   33.403    42.360  2.8875  45.398  2.7601  -3.038399      3.994527 
1 1 1 13  -25 15 o 41.223  1.9725  231.645   21.648    230.517   30.341    232.815   30.897    41.125  2.7706  41.320  2.8083  -0.1953239     3.944959 
1 1 1 13  -25 16 o 48.321  1.9431  318.438   25.002    337.087   35.209    299.469   35.509    49.783  2.6500  46.860  2.8426  2.923004       3.886252 
1 1 1 13  -25 17 o 40.818  1.9506  227.403   21.199    230.897   30.029    223.932   29.932    41.136  2.7411  40.499  2.7760  0.6374702      3.901278 
1 1 1 13  -25 18 o 17.588  2.7355  44.012    12.557    51.991    18.350    36.984    17.221    19.129  3.7153  16.047  4.0161  3.082247       5.471041 
1 1 1 13  -25 19 o 28.070  2.2582  110.055   16.443    92.401    23.394    127.292   23.117    25.711  3.4870  30.428  2.8703  -4.717293      4.516400 
1 1 1 13  -25 20 o 41.270  1.9659  233.154   21.600    236.727   30.894    229.737   30.212    41.577  2.7903  40.962  2.7699  0.6144943      3.931702 
1 1 1 13  -25 21 f 62.297  2.0388  530.514   34.014    533.321   48.614    527.822   47.607    62.449  2.9064  62.146  2.8600  0.3024216      4.077572 
1 1 1 13  -25 22 o 19.285  5.8855  55.355    33.180    55.355    33.180    0.0000    0.0000    19.285  5.8855  ?       ?       ?              ?        
1 1 1 13  -25 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -25 24 o 29.827  2.8896  125.417   20.861    131.980   37.296    122.428   25.166    30.049  4.7950  29.605  3.2258  0.4444180      5.779124 
1 1 1 13  -25 25 o 62.405  2.0759  537.162   34.663    519.436   49.561    554.136   48.497    61.348  3.0161  63.463  2.8531  -2.115074      4.151743 
1 1 1 13  -25 26 o 22.095  2.7537  70.768    15.666    69.788    22.877    71.632    21.498    21.883  4.0523  22.308  3.7297  -0.4249935     5.507427 
1 1 1 13  -25 27 o 53.827  2.0879  402.896   29.968    401.801   43.086    403.922   41.710    53.720  3.0065  53.935  2.8979  -0.2144775     4.175716 
1 1 1 13  -25 28 o 25.505  2.6354  95.022    17.248    82.308    24.984    106.599   23.841    23.642  4.0935  27.367  3.3203  -3.724854      5.270807 
1 1 1 13  -25 29 o 23.321  2.8523  81.138    17.050    73.550    24.970    87.766    23.336    22.081  4.3767  24.562  3.6588  -2.481354      5.704554 
1 1 1 13  -25 30 o 47.633  2.2027  322.249   27.586    387.035   39.822    262.476   38.250    52.480  2.8435  42.787  3.3647  9.693249       4.405365 
1 1 1 13  -25 31 o 49.387  2.2536  351.396   29.444    316.724   42.406    383.673   40.914    46.785  3.4075  51.990  2.9502  -5.205708      4.507195 
1 1 1 13  -25 32 o 48.533  2.2915  341.737   29.571    329.375   42.376    353.471   41.285    47.549  3.3487  49.516  3.1289  -1.966465      4.582990 
1 1 1 13  -25 33 o 18.991  3.3315  60.872    17.720    37.715    25.602    82.165    24.550    15.062  5.2112  22.920  4.1519  -7.857328      6.662971 
1 1 1 13  -25 34 o 15.300  3.5768  39.919    17.359    49.949    24.929    30.478    24.187    16.911  5.0883  13.688  5.0282  3.222888       7.153622 
1 1 1 13  -25 35 o 12.487  3.4874  23.534    17.260    26.536    24.675    20.657    24.152    12.899  5.0006  12.075  4.8623  0.8240747      6.974833 
1 1 1 13  -25 36 o 24.543  4.8184  105.335   30.544    105.335   30.544    0.0000    0.0000    24.543  4.8184  ?       ?       ?              ?        
1 1 1 13  -25 37 o 10.662  4.7712  7.3067    28.005    0.0000    0.0000    7.3067    28.005    ?       ?       10.662  4.7712  ?              ?        
1 1 1 13  -25 38 o 16.652  3.1164  43.962    20.129    104.875   28.605    -15.7927  28.331    24.371  4.5493  8.9329  4.2604  15.43826       6.232779 
1 1 1 13  -25 39 o 13.218  3.7368  35.063    20.017    35.895    28.510    34.255    28.112    13.314  5.3099  13.122  5.2592  0.1916132      7.473507 
1 1 1 13  -25 40 o 9.4701  3.1210  -4.6654   19.630    -20.9372  26.961    13.691    28.637    8.2101  3.9762  10.730  4.8116  -2.520057      6.241933 
1 1 1 13  -25 41 o 9.6518  3.1731  1.9332    19.931    -11.5242  27.198    17.543    29.292    8.5596  4.1070  10.744  4.8380  -2.184426      6.346186 
1 1 1 13  -25 42 o 10.730  3.4038  22.883    20.498    30.839    28.687    14.585    29.299    11.399  4.9758  10.060  4.6460  1.338497       6.807666 
1 1 1 13  -24 0  o 115.310 2.6929  1817.04   83.113    1750.10   118.050   1882.83   117.035   113.151 3.8951  117.468 3.7197  -4.317184      5.385894 
1 1 1 13  -24 1  o 68.756  2.0743  640.134   38.197    653.964   54.269    626.556   53.771    69.496  2.9155  68.015  2.9516  1.481186       4.148697 
1 1 1 13  -24 2  o 89.233  2.3051  1080.82   55.075    1057.66   78.274    1103.53   77.506    88.267  3.3108  90.198  3.2081  -1.930862      4.610114 
1 1 1 13  -24 3  o 48.398  1.9142  317.481   24.710    311.534   35.071    323.344   34.821    47.939  2.7427  48.857  2.6710  -0.9180450     3.828403 
1 1 1 13  -24 4  o 43.700  1.8953  258.832   22.071    267.037   31.330    250.747   31.098    44.397  2.6466  43.004  2.7138  1.392986       3.790680 
1 1 1 13  -24 5  o 57.921  1.9466  453.085   30.197    460.445   42.963    445.899   42.453    58.387  2.7472  57.455  2.7586  0.9316330      3.893193 
1 1 1 13  -24 6  o 79.660  2.1671  858.620   46.236    869.049   65.710    848.394   65.070    80.140  3.0612  79.180  3.0682  0.9599686      4.334117 
1 1 1 13  -24 7  o 74.985  2.1137  760.594   42.440    743.281   60.196    777.706   59.845    74.126  3.0319  75.844  2.9459  -1.718307      4.227343 
1 1 1 13  -24 8  o 62.940  2.0188  535.312   34.028    545.883   48.116    524.734   48.130    63.567  2.8260  62.313  2.8837  1.254639       4.037583 
1 1 1 13  -24 9  o 21.637  2.3979  65.603    13.275    54.234    18.934    76.594    18.616    19.661  3.7319  23.612  3.0122  -3.950851      4.795869 
1 1 1 13  -24 10 o 55.534  1.9809  417.107   29.393    397.808   41.254    437.003   41.888    54.183  2.8526  56.884  2.7492  -2.701115      3.961780 
1 1 1 13  -24 11 o 84.692  2.2335  971.572   50.665    978.126   71.485    964.957   71.818    84.984  3.1404  84.399  3.1769  0.5850143      4.467093 
1 1 1 13  -24 12 o 62.081  2.0050  521.258   33.325    530.571   46.707    511.601   47.563    62.657  2.7830  61.506  2.8871  1.151478       4.010092 
1 1 1 13  -24 13 o 13.632  2.5986  24.732    11.262    3.6432    16.233    44.299    15.637    9.4898  3.9233  17.774  3.4085  -8.283880      5.197169 
1 1 1 13  -24 14 o 37.617  1.9655  192.362   19.659    190.585   27.451    194.232   28.166    37.442  2.7566  37.792  2.8025  -0.3491707     3.931035 
1 1 1 13  -24 15 o 9.3943  2.5999  5.6607    10.096    -4.4608   15.115    13.815    13.567    8.0615  3.5621  10.727  3.7879  -2.665466      5.199730 
1 1 1 13  -24 16 o 13.148  2.8911  22.548    11.657    32.842    17.046    13.504    15.977    15.216  4.0931  11.079  4.0841  4.137234       5.782198 
1 1 1 13  -24 17 o 21.643  2.3367  65.419    13.063    60.115    18.736    70.435    18.222    20.722  3.5005  22.565  3.0964  -1.843584      4.673461 
1 1 1 13  -24 18 o 54.306  1.9340  400.396   28.084    402.391   39.683    398.394   39.750    54.478  2.7195  54.133  2.7505  0.3457069      3.867997 
1 1 1 13  -24 19 o 8.6648  2.5827  -0.1799   10.438    7.2036    15.441    -6.3930   14.164    9.8175  3.9102  7.5121  3.3751  2.305453       5.165363 
1 1 1 13  -24 20 o 44.586  1.9566  272.840   23.059    236.335   32.817    308.437   32.407    41.550  2.9684  47.622  2.5499  -6.071823      3.913207 
1 1 1 13  -24 21 f 18.469  2.8027  49.196    13.459    42.595    19.356    55.374    18.726    17.179  4.2338  19.759  3.6736  -2.579336      5.605348 
1 1 1 13  -24 22 o 60.884  2.0130  507.524   32.682    474.174   46.711    539.507   45.744    58.832  2.9739  62.935  2.7136  -4.102882      4.025910 
1 1 1 13  -24 23 o 52.943  1.9858  383.668   28.048    389.477   40.359    378.241   39.009    53.320  2.8361  52.566  2.7804  0.7538605      3.971662 
1 1 1 13  -24 24 o 49.163  2.3139  336.283   29.500    343.232   37.949    325.672   46.894    50.002  2.8453  48.324  3.6499  1.678745       4.627885 
1 1 1 13  -24 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -24 26 f 27.807  2.4372  108.259   17.706    118.470   26.291    99.783    23.953    29.013  3.4508  26.600  3.4427  2.413174       4.874466 
1 1 1 13  -24 27 o 40.479  2.1193  229.444   22.580    201.238   32.669    255.246   31.245    37.941  3.2459  43.017  2.7259  -5.075165      4.238661 
1 1 1 13  -24 28 o 8.6859  2.7070  -3.4978   12.343    -7.4959   17.739    0.2546    17.185    8.3084  3.7509  9.0635  3.9041  -0.7551374     5.413974 
1 1 1 13  -24 29 o 39.558  2.1819  219.112   22.915    228.636   33.264    210.510   31.611    40.370  3.1000  38.745  3.0712  1.625340       4.363734 
1 1 1 13  -24 30 o 43.183  2.1751  262.358   24.981    271.126   36.049    254.257   34.649    43.872  3.0874  42.495  3.0647  1.377258       4.350251 
1 1 1 13  -24 31 o 29.475  2.4927  126.535   19.139    115.017   27.632    137.157   26.535    28.002  3.7809  30.949  3.2496  -2.947060      4.985464 
1 1 1 13  -24 32 o 12.515  3.1953  18.638    15.215    -0.1877   21.937    36.089    21.121    9.8461  4.3232  15.184  4.7063  -5.337578      6.390533 
1 1 1 13  -24 33 o 9.5887  2.9543  1.1842    14.350    -4.1826   21.224    5.7045    19.478    9.2086  4.1349  9.9688  4.2207  -0.7601309     5.908620 
1 1 1 13  -24 34 o 19.856  3.3656  65.095    18.585    94.917    27.003    38.256    25.617    24.573  4.2569  15.138  5.2142  9.434526       6.731187 
1 1 1 13  -24 35 o 10.201  3.0987  -0.6237   16.480    21.952    23.812    -21.3785  22.831    12.405  4.8826  7.9964  3.8168  4.409004       6.197343 
1 1 1 13  -24 36 o 16.194  3.6792  47.776    18.844    62.712    26.702    32.957    26.597    18.580  5.1741  13.808  5.2321  4.772394       7.358367 
1 1 1 13  -24 37 o 14.400  5.3901  39.248    28.037    39.248    28.037    0.0000    0.0000    14.400  5.3901  ?       ?       ?              ?        
1 1 1 13  -24 38 o 22.866  4.0417  112.953   25.959    80.737    41.463    133.723   33.292    18.148  6.5960  27.585  4.6726  -9.436998      8.083326 
1 1 1 13  -24 39 o 12.688  3.6861  27.636    20.936    11.745    30.003    42.718    29.229    11.044  4.9406  14.332  5.4718  -3.287880      7.372293 
1 1 1 13  -24 40 o 20.222  4.0262  87.880    22.690    90.119    33.491    85.980    30.849    20.186  5.8532  20.259  5.5302  -0.7276917E-01 8.052482 
1 1 1 13  -24 41 o 16.261  3.9988  64.884    23.047    42.401    33.672    84.701    31.613    13.323  5.5900  19.199  5.7194  -5.876570      7.997509 
1 1 1 13  -24 42 o 12.493  3.7472  38.231    22.400    25.070    32.563    50.054    30.863    11.263  5.0835  13.723  5.5067  -2.460073      7.494406 
1 1 1 13  -24 43 o 8.5857  2.9385  -8.8057   21.065    -25.4282  30.820    5.7660    28.856    7.9159  3.9172  9.2555  4.3811  -1.339559      5.876928 
1 1 1 13  -23 0  o 60.910  1.9797  501.061   32.286    490.494   45.944    511.370   45.381    60.268  2.8461  61.553  2.7525  -1.285618      3.959415 
1 1 1 13  -23 1  o 19.477  2.4089  53.671    11.962    42.574    17.223    64.013    16.626    17.379  3.8055  21.576  2.9545  -4.197567      4.817750 
1 1 1 13  -23 2  o 25.459  2.0350  88.554    13.633    87.846    19.238    89.268    19.322    25.355  2.8841  25.564  2.8716  -0.2091732     4.069924 
1 1 1 13  -23 3  o 84.271  2.2220  959.884   50.125    929.332   71.213    989.883   70.566    82.926  3.2061  85.616  3.0772  -2.689301      4.443913 
1 1 1 13  -23 4  o 50.442  1.9024  343.800   25.609    345.912   36.379    341.726   36.057    50.595  2.6941  50.289  2.6866  0.3066139      3.804755 
1 1 1 13  -23 5  o 95.356  2.3298  1228.76   59.499    1226.42   84.678    1231.04   83.621    95.260  3.3187  95.452  3.2707  -0.1917572     4.659562 
1 1 1 13  -23 6  o 112.554 2.5963  1715.71   78.255    1686.58   111.207   1744.28   110.138   111.592 3.7206  113.517 3.6223  -1.925850      5.192682 
1 1 1 13  -23 7  o 71.353  2.0546  686.520   39.267    685.230   55.660    687.798   55.404    71.285  2.9151  71.421  2.8962  -0.1366425     4.109206 
1 1 1 13  -23 8  o 114.492 2.5931  1774.67   79.518    1777.24   112.818   1772.12   112.097   114.571 3.6763  114.412 3.6579  0.1591721      5.186104 
1 1 1 13  -23 9  o 143.133 3.0906  2787.29   118.453   2715.59   167.749   2858.60   167.286   141.265 4.4334  145.002 4.3072  -3.736465      6.181202 
1 1 1 13  -23 10 o 54.205  2.0323  397.146   29.383    378.982   41.149    416.044   41.972    52.930  2.9137  55.480  2.8339  -2.549614      4.064526 
1 1 1 13  -23 11 o 27.354  2.2883  102.499   16.436    103.799   23.078    101.162   23.412    27.541  3.1874  27.167  3.2842  0.3745708      4.576602 
1 1 1 13  -23 12 o 154.018 3.2172  3235.32   132.721   3232.72   187.619   3237.93   187.772   153.956 4.5498  154.080 4.5498  -0.1239624     6.434426 
1 1 1 13  -23 13 o 33.633  2.1129  153.980   18.771    138.875   26.268    169.741   26.833    31.911  3.1129  35.355  2.8580  -3.443277      4.225879 
1 1 1 13  -23 14 o 128.533 2.7820  2246.15   95.773    2258.01   135.059   2234.14   135.832   128.885 3.9123  128.180 3.9563  0.7044830      5.564044 
1 1 1 13  -23 15 o 30.948  2.0281  130.447   16.620    131.577   23.513    129.320   23.495    31.085  2.8559  30.810  2.8804  0.2743607      4.056266 
1 1 1 13  -23 16 o 61.632  1.9349  512.952   31.940    508.501   45.019    517.464   45.324    61.362  2.7391  61.901  2.7336  -0.5394440     3.869778 
1 1 1 13  -23 17 o 10.798  2.7384  12.763    10.346    19.173    14.690    6.4535    14.574    12.069  3.9464  9.5267  3.7974  2.541937       5.476731 
1 1 1 13  -23 18 o 59.865  1.9199  484.622   30.784    489.844   43.678    479.468   43.394    60.187  2.7094  59.543  2.7209  0.6433105      3.839813 
1 1 1 13  -23 19 o 56.653  1.9168  434.351   29.083    441.057   41.420    427.830   40.845    57.084  2.7090  56.221  2.7124  0.8631821      3.833522 
1 1 1 13  -23 20 o 48.220  1.9140  316.091   24.612    311.930   35.138    320.099   34.485    47.896  2.7505  48.544  2.6624  -0.6480560     3.827990 
1 1 1 13  -23 21 o 51.592  1.9283  362.217   26.541    358.189   37.942    366.078   37.140    51.297  2.7717  51.887  2.6815  -0.5899925     3.856548 
1 1 1 13  -23 22 o 67.116  2.0407  613.301   36.671    604.940   52.404    621.325   51.333    66.649  2.9355  67.583  2.8358  -0.9340134     4.081475 
1 1 1 13  -23 23 o 53.416  1.9709  389.406   28.094    395.750   40.253    383.381   39.229    53.836  2.8012  52.996  2.7732  0.8400116      3.941742 
1 1 1 13  -23 24 o 78.731  2.1734  848.557   45.825    863.821   65.529    833.947   64.106    79.420  3.0805  78.042  3.0668  1.377739       4.346770 
1 1 1 13  -23 25 o 27.704  2.3179  107.349   16.775    102.654   24.601    111.429   22.933    27.063  3.4740  28.345  3.0696  -1.282124      4.635861 
1 1 1 13  -23 26 o 9.0788  4.2991  -29.6366  27.840    -29.6366  27.840    0.0000    0.0000    9.0788  4.2991  ?       ?       ?              ?        
1 1 1 13  -23 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -23 28 o 48.225  2.0846  321.243   26.756    346.832   38.701    297.812   37.033    50.094  2.8967  46.356  2.9986  3.738148       4.169264 
1 1 1 13  -23 29 f 24.204  2.6325  84.035    16.503    88.579    23.998    79.958    22.730    24.836  3.7222  23.573  3.7235  1.262512       5.264954 
1 1 1 13  -23 30 o 32.132  2.3569  146.422   19.952    141.707   28.717    150.822   27.742    31.564  3.4531  32.700  3.2087  -1.136082      4.713782 
1 1 1 13  -23 31 o 12.314  3.2560  18.920    14.468    17.707    20.750    20.068    20.184    12.157  4.6178  12.472  4.5915  -0.3154526     6.511982 
1 1 1 13  -23 32 o 18.085  3.3263  51.030    16.261    52.101    23.303    50.012    22.703    18.260  4.7274  17.909  4.6807  0.3509598      6.652587 
1 1 1 13  -23 33 o 20.188  3.2266  65.684    17.879    35.319    25.394    95.530    25.177    15.063  5.1912  25.313  3.8333  -10.25028      6.453148 
1 1 1 13  -23 34 o 20.222  3.4645  66.799    18.657    76.104    26.601    57.790    26.175    21.792  4.6958  18.652  5.0950  3.139652       6.928936 
1 1 1 13  -23 35 f 21.030  3.4322  76.428    19.812    45.434    28.762    104.411   27.329    16.147  5.5265  25.914  4.0716  -9.766460      6.864423 
1 1 1 13  -23 36 o 12.761  3.4322  22.414    17.578    3.5668    25.404    39.727    24.348    10.422  4.6109  15.099  5.0852  -4.677104      6.864388 
1 1 1 13  -23 37 o 10.808  3.2617  10.153    17.015    19.114    23.788    0.7672    24.346    11.772  4.7947  9.8428  4.4234  1.929599       6.523494 
1 1 1 13  -23 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -23 39 o 15.524  3.8731  48.967    20.225    59.431    29.576    39.775    27.720    16.877  5.6035  14.170  5.3481  2.707282       7.746103 
1 1 1 13  -23 40 o 10.115  3.0913  -10.5037  18.825    -60.3760  27.149    35.679    26.126    6.7652  3.3975  13.464  5.1654  -6.699177      6.182590 
1 1 1 13  -23 41 o 10.701  3.4210  11.167    21.022    6.6791    30.169    15.404    29.309    10.386  4.7663  11.016  4.9088  -0.6302786     6.842051 
1 1 1 13  -23 42 o 14.199  3.8556  47.533    22.537    73.738    31.893    21.398    31.850    17.142  5.8198  11.256  5.0590  5.885465       7.711257 
1 1 1 13  -23 43 o 22.979  3.5343  102.892   19.800    145.583   36.396    84.947    23.597    25.082  5.5633  20.877  4.3605  4.204628       7.068542 
1 1 1 13  -22 0  o 50.559  1.9200  345.193   25.878    365.998   36.895    325.047   36.307    52.072  2.6541  49.046  2.7751  3.025814       3.839952 
1 1 1 13  -22 1  o 105.040 2.4860  1490.70   69.937    1485.65   99.461    1495.65   98.359    104.857 3.5413  105.223 3.4899  -0.3657074     4.971998 
1 1 1 13  -22 2  o 69.698  2.0418  654.418   38.107    643.554   54.195    665.042   53.592    69.120  2.9273  70.275  2.8472  -1.155434      4.083542 
1 1 1 13  -22 3  o 67.697  2.0228  616.923   36.672    634.069   52.211    600.228   51.520    68.628  2.8404  66.766  2.8809  1.861481       4.045635 
1 1 1 13  -22 4  o 90.275  2.2562  1098.29   54.550    1112.65   77.725    1084.34   76.578    90.856  3.1939  89.694  3.1875  1.162117       4.512357 
1 1 1 13  -22 5  o 43.399  1.9025  254.585   21.957    275.139   31.177    234.358   30.928    45.159  2.5883  41.640  2.7891  3.519245       3.805087 
1 1 1 13  -22 6  o 29.934  2.0627  122.610   16.169    138.504   22.650    106.092   23.089    31.980  2.6687  27.888  3.1461  4.091921       4.125485 
1 1 1 13  -22 7  o 48.699  1.9231  320.049   24.983    323.616   35.245    316.447   35.418    48.975  2.6972  48.422  2.7421  0.5529900      3.846276 
1 1 1 13  -22 8  o 77.287  2.1103  804.317   43.684    794.611   61.638    814.113   61.921    76.817  2.9957  77.758  2.9731  -0.9401321     4.220605 
1 1 1 13  -22 9  o 73.244  2.0863  722.231   40.924    706.407   57.540    738.430   58.218    72.430  2.9659  74.058  2.9349  -1.627663      4.172595 
1 1 1 13  -22 10 o 76.304  2.1279  784.019   43.483    764.623   61.002    804.054   61.998    75.343  3.0228  77.265  2.9957  -1.922249      4.255826 
1 1 1 13  -22 11 o 108.968 2.5359  1603.52   74.012    1588.79   104.316   1618.45   105.026   108.463 3.5907  109.473 3.5818  -1.010117      5.071723 
1 1 1 13  -22 12 o 37.643  2.0479  191.538   20.445    175.293   28.257    209.385   29.619    35.952  2.9607  39.334  2.8303  -3.381474      4.095889 
1 1 1 13  -22 13 o 95.819  2.3172  1240.17   59.408    1298.00   83.675    1181.38   84.360    98.094  3.1847  93.544  3.3669  4.549706       4.634450 
1 1 1 13  -22 14 o 15.291  2.8679  32.280    12.265    43.883    17.774    21.733    16.945    17.666  3.8638  12.916  4.2392  4.750422       5.735865 
1 1 1 13  -22 15 o 20.719  2.5716  59.704    13.690    70.027    19.790    50.232    18.957    22.520  3.3856  18.917  3.8717  3.602530       5.143199 
1 1 1 13  -22 16 o 28.209  2.1075  109.089   15.561    95.748    22.111    122.183   21.905    26.436  3.1870  29.981  2.7586  -3.545479      4.215059 
1 1 1 13  -22 17 o 62.522  1.9364  527.183   32.426    532.163   46.113    522.312   45.607    62.814  2.7408  62.231  2.7361  0.5833702      3.872790 
1 1 1 13  -22 18 o 13.408  2.8599  24.526    11.212    29.001    16.023    20.230    15.696    14.386  4.0087  12.430  4.0800  1.956181       5.719781 
1 1 1 13  -22 19 o 42.107  1.8845  240.020   21.128    253.317   30.443    227.665   29.345    43.240  2.6412  40.975  2.6887  2.264748       3.768983 
1 1 1 13  -22 20 o 38.299  1.9045  199.342   19.387    196.356   28.000    202.093   26.871    38.007  2.7695  38.591  2.6150  -0.5846100     3.808997 
1 1 1 13  -22 21 o 73.892  2.0842  740.486   41.237    734.891   58.908    745.862   57.746    73.606  2.9879  74.178  2.9064  -0.5726852     4.168322 
1 1 1 13  -22 22 o 19.132  2.6570  51.533    13.106    64.074    19.182    40.553    17.949    21.410  3.4633  16.854  4.0305  4.556061       5.314070 
1 1 1 13  -22 23 o 46.898  1.9255  299.016   24.058    309.746   35.024    289.432   33.102    47.687  2.7538  46.109  2.6920  1.578156       3.850967 
1 1 1 13  -22 24 o 67.104  2.0664  614.060   37.107    599.200   53.183    628.156   51.799    66.283  2.9956  67.925  2.8471  -1.641861      4.132737 
1 1 1 13  -22 25 o 32.483  2.0946  145.506   17.965    141.746   26.241    148.823   24.645    32.044  3.0959  32.922  2.8221  -0.8780327     4.189147 
1 1 1 13  -22 26 o 8.1143  2.5353  -6.2611   11.049    2.5806    16.302    -13.7748  15.028    9.2572  3.8872  6.9714  3.2560  2.285752       5.070689 
1 1 1 13  -22 27 o 29.418  2.3205  121.506   17.818    110.152   25.890    131.724   24.561    27.999  3.5308  30.838  3.0120  -2.839493      4.640934 
1 1 1 13  -22 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -22 29 o 18.876  2.8835  54.917    15.352    18.011    22.143    89.073    21.303    12.594  4.7735  25.159  3.2362  -12.56583      5.767076 
1 1 1 13  -22 30 o 26.340  2.6424  99.732    18.055    92.526    25.781    106.666   25.292    25.299  3.9323  27.381  3.5308  -2.081982      5.284857 
1 1 1 13  -22 31 o 19.328  3.2330  56.362    16.456    58.981    23.983    54.032    22.622    19.739  4.6182  18.916  4.5256  0.8222980      6.465951 
1 1 1 13  -22 32 f 25.440  2.9174  95.558    19.164    104.288   27.829    87.685    26.428    26.617  4.0296  24.264  4.2198  2.353004       5.834739 
1 1 1 13  -22 33 o 43.796  2.3620  274.759   27.474    288.993   39.141    260.935   38.573    44.977  3.2715  42.616  3.4078  2.361385       4.723918 
1 1 1 13  -22 34 o 25.310  3.2845  103.623   20.980    68.364    30.338    135.936   29.044    20.250  5.4661  30.369  3.6433  -10.11849      6.568961 
1 1 1 13  -22 35 o 12.386  3.4165  18.281    17.180    4.2293    24.949    30.951    23.692    10.695  4.6552  14.078  5.0020  -3.382441      6.833051 
1 1 1 13  -22 36 o 18.447  3.5706  58.979    19.079    38.815    27.237    78.405    26.734    15.092  5.3631  21.803  4.7151  -6.710839      7.141131 
1 1 1 13  -22 37 f 8.6727  2.7924  -18.1289  15.898    -49.3850  22.712    11.896    22.260    6.5065  3.2434  10.839  4.5464  -4.332387      5.584743 
1 1 1 13  -22 38 o 15.260  3.8303  44.246    19.689    48.270    28.007    40.314    27.686    15.843  5.4522  14.677  5.3814  1.165733       7.660659 
1 1 1 13  -22 39 o 32.861  4.5539  185.807   39.005    0.0000    0.0000    185.807   39.005    ?       ?       32.861  4.5539  ?              ?        
1 1 1 13  -22 40 o 15.907  3.5851  43.901    21.390    91.445    31.207    1.7698    29.377    21.564  5.4116  10.250  4.7039  11.31396       7.170228 
1 1 1 13  -22 41 o 10.176  3.1185  7.2630    13.119    27.945    28.128    1.5127    14.832    12.382  5.1453  7.9707  3.5249  4.411152       6.236953 
1 1 1 13  -22 42 o 25.969  3.2584  119.932   20.290    141.444   36.729    110.484   24.341    26.224  5.4086  25.714  3.6355  0.5103531      6.516870 
1 1 1 13  -22 43 o 19.162  3.3511  88.176    19.028    51.965    34.398    104.142   22.840    13.638  5.6805  24.686  3.5570  -11.04858      6.702211 
1 1 1 13  -22 44 o 9.9158  3.1286  16.868    15.376    18.885    32.919    16.305    17.389    10.242  4.7950  9.5898  4.0202  0.6520090      6.257298 
1 1 1 13  -21 0  o 108.723 2.5224  1594.18   73.452    1610.13   104.550   1578.63   103.215   109.259 3.5726  108.187 3.5619  1.071892       5.044820 
1 1 1 13  -21 1  o 101.678 2.4595  1393.61   66.975    1379.58   95.137    1407.40   94.302    101.164 3.5110  102.192 3.4452  -1.027390      4.919000 
1 1 1 13  -21 2  o 121.424 2.7132  1989.87   88.220    1950.95   125.292   2028.14   124.240   120.234 3.8905  122.615 3.7829  -2.381096      5.426481 
1 1 1 13  -21 3  o 55.403  1.9210  412.563   28.505    412.777   40.509    412.354   40.119    55.416  2.7291  55.389  2.7042  0.2655029E-01  3.841995 
1 1 1 13  -21 4  o 30.965  1.9906  130.099   16.304    137.074   22.972    123.020   23.143    31.821  2.7214  30.109  2.9057  1.711781       3.981152 
1 1 1 13  -21 5  o 150.948 3.1511  3080.32   127.388   3048.60   180.844   3111.55   179.472   150.164 4.4962  151.732 4.4160  -1.567871      6.302171 
1 1 1 13  -21 6  o 11.256  2.2448  12.977    9.3179    -10.6065  13.576    33.981    12.812    6.8981  3.1775  15.613  3.1719  -8.714829      4.489663 
1 1 1 13  -21 7  o 32.940  2.0477  147.081   17.869    150.068   24.977    143.949   25.576    33.294  2.8275  32.586  2.9627  0.7082138      4.095455 
1 1 1 13  -21 8  o 109.069 2.5486  1603.63   74.392    1525.72   105.099   1681.86   105.313   106.397 3.6879  111.740 3.5187  -5.343201      5.097235 
1 1 1 13  -21 9  o 52.384  1.9702  369.527   27.527    352.211   38.316    387.997   39.572    51.110  2.8097  53.657  2.7628  -2.546806      3.940459 
1 1 1 13  -21 10 o 24.230  2.4373  80.829    15.304    72.723    21.614    88.980    21.673    22.952  3.6370  25.508  3.2456  -2.555983      4.874619 
1 1 1 13  -21 11 o 137.482 2.9014  2553.18   106.833   2585.33   150.834   2520.81   151.336   138.360 4.0700  136.604 4.1361  1.755844       5.802791 
1 1 1 13  -21 12 f 77.216  2.0816  802.107   43.043    799.537   60.212    804.794   61.553    77.093  2.9160  77.339  2.9714  -0.2463531     4.163204 
1 1 1 13  -21 13 o 67.596  1.9888  614.624   35.996    614.326   50.286    614.938   51.551    67.583  2.7779  67.609  2.8467  -0.2640533E-01 3.977503 
1 1 1 13  -21 14 o 64.960  1.9546  568.055   33.980    594.729   48.014    541.290   48.096    66.496  2.6958  63.424  2.8312  3.071808       3.909288 
1 1 1 13  -21 15 o 64.265  1.9547  556.395   33.567    510.239   47.285    603.288   47.661    61.564  2.8675  66.967  2.6571  -5.403179      3.909335 
1 1 1 13  -21 16 o 81.706  2.1146  899.554   46.277    900.172   65.516    898.939   65.376    81.734  2.9926  81.679  2.9883  0.5524445E-01  4.229161 
1 1 1 13  -21 17 o 91.921  2.2363  1140.04   55.060    1147.62   78.057    1132.54   77.678    92.226  3.1599  91.616  3.1654  0.6093140      4.472682 
1 1 1 13  -21 18 o 30.547  2.0394  127.233   16.440    119.818   23.603    134.220   22.912    29.651  3.0138  31.442  2.7482  -1.791456      4.078708 
1 1 1 13  -21 19 o 31.287  2.0097  132.643   16.612    146.449   24.256    120.448   22.797    32.837  2.7841  29.738  2.8990  3.099268       4.019367 
1 1 1 13  -21 20 o 65.424  1.9840  578.075   34.747    570.882   49.802    584.898   48.502    65.017  2.8598  65.831  2.7507  -0.8138199     3.967920 
1 1 1 13  -21 21 o 51.044  1.8805  352.781   25.600    351.517   36.937    353.949   35.512    50.944  2.7168  51.144  2.6009  -0.2003403     3.761056 
1 1 1 13  -21 22 o 66.153  2.0268  593.199   35.863    572.631   51.484    612.585   49.984    65.015  2.9565  67.291  2.7732  -2.276047      4.053575 
1 1 1 13  -21 23 o 18.165  2.7376  46.524    12.878    50.972    19.156    42.856    17.395    18.962  3.9018  17.369  3.8409  1.592499       5.475123 
1 1 1 13  -21 24 o 48.487  1.9573  319.495   25.279    343.441   36.502    297.425   35.043    50.248  2.7223  46.725  2.8131  3.522423       3.914657 
1 1 1 13  -21 25 o 29.773  2.1634  121.818   16.984    127.738   24.806    116.595   23.303    30.452  3.0838  29.093  3.0350  1.358624       4.326764 
1 1 1 13  -21 26 o 8.8769  2.6382  1.3148    10.850    -4.9558   15.940    6.7285    14.811    8.1942  3.6375  9.5596  3.8223  -1.365382      5.276489 
1 1 1 13  -21 27 o 39.240  2.0638  212.190   21.473    202.642   31.052    220.940   29.727    38.341  3.0489  40.138  2.7822  -1.796989      4.127515 
1 1 1 13  -21 28 o 41.970  2.1275  242.096   23.671    271.698   34.531    215.854   32.512    44.429  2.9179  39.511  3.0969  4.917927       4.254980 
1 1 1 13  -21 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -21 30 o 16.882  3.3377  42.333    15.664    43.703    22.774    41.104    21.579    17.123  4.7820  16.640  4.6576  0.4822941      6.675420 
1 1 1 13  -21 31 o 13.954  3.1456  24.182    14.913    3.8064    20.618    46.535    21.595    10.290  4.3488  17.617  4.5460  -7.327423      6.291131 
1 1 1 13  -21 32 o 8.1013  2.4695  -9.1914   11.420    10.329    15.177    -34.6661  17.338    10.100  3.9201  6.1023  3.0043  3.998080       4.938927 
1 1 1 13  -21 33 o 25.914  2.8605  99.216    19.057    115.490   27.459    84.095    26.469    28.176  3.7303  23.653  4.3377  4.522095       5.721054 
1 1 1 13  -21 34 o 16.051  3.3314  40.123    16.021    24.993    22.949    54.507    22.375    13.379  4.9003  18.723  4.5143  -5.344788      6.662715 
1 1 1 13  -21 35 o 20.760  3.3011  72.207    19.279    32.447    27.955    108.269   26.623    14.611  5.3993  26.908  3.7997  -12.29671      6.602239 
1 1 1 13  -21 36 o 18.898  3.6819  60.833    19.312    55.069    27.411    66.512    27.212    17.903  5.3241  19.893  5.0871  -1.989367      7.363725 
1 1 1 13  -21 37 o 7.9850  2.5738  -22.7525  14.224    9.5147    19.241    -61.6371  21.122    10.219  4.2518  5.7510  2.9017  4.468076       5.147584 
1 1 1 13  -21 38 o 12.426  3.5463  22.711    18.217    21.366    26.557    23.907    25.037    12.314  5.0464  12.539  4.9838  -0.2249088     7.092595 
1 1 1 13  -21 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -21 40 o 19.740  3.3871  67.724    16.678    80.251    30.315    62.287    19.971    20.160  5.4735  19.320  3.9914  0.8393040      6.774190 
1 1 1 13  -21 41 o 12.093  3.1335  26.287    14.126    8.1130    27.277    32.948    16.513    10.488  4.6999  13.699  4.1457  -3.210827      6.267014 
1 1 1 13  -21 42 o 17.382  3.5209  44.789    17.139    114.052   33.874    20.958    19.870    23.600  5.4663  11.164  4.4391  12.43532       7.041724 
1 1 1 13  -21 43 o 6.1998  2.2064  -30.6017  12.303    -34.4975  25.843    -29.4599  13.990    7.2883  3.6031  5.1113  2.5476  2.177054       4.412752 
1 1 1 13  -21 44 o 16.019  3.8248  59.316    17.994    86.715    34.133    48.770    21.176    17.196  6.0132  14.841  4.7283  2.354489       7.649538 
1 1 1 13  -20 0  o 77.164  2.1061  800.427   43.525    798.652   61.963    802.155   61.151    77.077  3.0014  77.250  2.9554  -0.1732712     4.212206 
1 1 1 13  -20 1  o 187.342 3.7593  4754.94   188.577   4629.51   267.293   4879.25   266.086   184.849 5.3986  189.836 5.2331  -4.986526      7.518629 
1 1 1 13  -20 2  o 73.739  2.0555  731.272   40.550    694.195   57.544    767.843   57.150    71.873  2.9891  75.604  2.8222  -3.730492      4.110918 
1 1 1 13  -20 3  o 49.467  1.8897  329.819   24.919    314.647   35.375    344.763   35.107    48.326  2.7442  50.608  2.5987  -2.282001      3.779436 
1 1 1 13  -20 4  o 52.486  1.8927  370.465   26.534    390.026   37.718    351.301   37.334    53.899  2.6127  51.074  2.7391  2.824703       3.785319 
1 1 1 13  -20 5  o 196.151 3.8910  5210.88   204.346   5060.21   289.668   5360.14   288.316   193.292 5.5950  199.011 5.4088  -5.718842      7.781972 
1 1 1 13  -20 6  o 80.010  2.1306  860.761   45.613    815.874   64.543    905.545   64.469    77.918  3.0926  82.102  2.9316  -4.184555      4.261286 
1 1 1 13  -20 7  o 84.167  3.0903  952.007   69.667    0.0000    0.0000    952.007   69.667    ?       ?       84.167  3.0903  ?              ?        
1 1 1 13  -20 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -20 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -20 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -20 11 o 100.481 4.8737  1364.95   131.170   0.0000    0.0000    1364.95   131.170   ?       ?       100.481 4.8737  ?              ?        
1 1 1 13  -20 12 o 88.016  2.6927  1063.63   59.942    985.210   100.779   1106.56   74.566    85.311  4.4256  90.721  3.0686  -5.410339      5.385369 
1 1 1 13  -20 13 f 155.613 3.1918  3272.07   133.023   3209.93   187.684   3334.79   188.564   154.118 4.5466  157.107 4.4810  -2.989212      6.383617 
1 1 1 13  -20 14 o 96.233  2.3064  1246.86   59.400    1184.60   83.762    1309.84   84.250    93.806  3.3337  98.661  3.1881  -4.855721      4.612784 
1 1 1 13  -20 15 o 126.249 2.7020  2150.50   91.360    2117.37   129.269   2183.57   129.136   125.269 3.8527  127.228 3.7894  -1.958717      5.403965 
1 1 1 13  -20 16 o 46.816  1.8563  295.524   23.177    296.933   33.193    294.184   32.377    46.922  2.6520  46.710  2.5981  0.2119713      3.712581 
1 1 1 13  -20 17 o 13.219  2.8896  22.894    11.855    12.000    17.080    33.019    16.467    11.094  4.1954  15.344  3.9747  -4.250375      5.779247 
1 1 1 13  -20 18 o 80.834  2.1061  879.951   45.586    910.245   65.073    850.757   63.880    82.203  2.9554  79.464  3.0013  2.738731       4.212147 
1 1 1 13  -20 19 f 108.943 2.4968  1604.21   72.852    1604.43   103.681   1604.00   102.389   108.944 3.5531  108.943 3.5089  0.1869202E-02  4.993639 
1 1 1 13  -20 20 o 16.848  2.6161  41.763    13.140    5.8167    19.198    73.441    18.022    10.551  4.3035  23.146  2.9759  -12.59497      5.232184 
1 1 1 13  -20 21 o 59.569  1.9470  478.967   31.032    470.253   44.687    487.083   43.126    59.034  2.8261  60.104  2.6788  -1.070061      3.893989 
1 1 1 13  -20 22 o 22.023  2.4463  67.028    13.923    73.412    20.430    61.492    19.025    23.028  3.4158  21.018  3.5027  2.009676       4.892551 
1 1 1 13  -20 23 o 36.699  2.0466  186.206   19.575    151.487   28.258    218.239   27.143    33.270  3.2109  40.128  2.5385  -6.858082      4.093117 
1 1 1 13  -20 24 o 29.072  2.1170  115.489   16.208    126.661   23.579    105.483   22.316    30.428  2.9293  27.715  3.0570  2.712875       4.233963 
1 1 1 13  -20 25 o 19.127  2.7788  53.827    13.824    32.928    19.940    73.169    19.183    15.288  4.5397  22.966  3.2059  -7.677979      5.557604 
1 1 1 13  -20 26 o 26.255  2.4152  95.389    16.396    114.488   24.092    78.913    22.377    28.792  3.1770  23.717  3.6387  5.074247       4.830440 
1 1 1 13  -20 27 o 24.197  2.6741  84.444    16.363    65.853    23.797    101.115   22.535    21.391  4.3025  27.002  3.1766  -5.611248      5.348111 
1 1 1 13  -20 28 o 8.7035  2.6679  -1.5781   11.538    -4.5282   16.648    1.1484    16.004    8.4272  3.7303  8.9798  3.8152  -0.5526037     5.335803 
1 1 1 13  -20 29 f 21.824  2.8957  70.550    16.095    47.261    22.999    92.904    22.532    17.907  4.7262  25.741  3.3472  -7.834551      5.791429 
1 1 1 13  -20 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -20 31 o 49.766  2.2084  344.078   29.276    352.826   42.159    335.931   40.685    50.369  3.1406  49.164  3.1055  1.204803       4.416702 
1 1 1 13  -20 32 o 55.782  2.2581  434.887   33.588    446.392   48.174    424.004   46.856    56.499  3.1964  55.065  3.1906  1.434826       4.516294 
1 1 1 13  -20 33 o 18.619  3.3732  52.714    17.199    67.940    25.045    39.124    23.661    21.191  4.5485  16.048  4.9825  5.142925       6.746383 
1 1 1 13  -20 34 o 28.870  2.8705  125.777   20.938    100.081   30.636    148.301   28.682    25.598  4.6390  32.142  3.3823  -6.543806      5.741092 
1 1 1 13  -20 35 o 10.761  3.1322  9.2430    14.629    5.1678    20.794    13.236    20.584    10.242  4.3501  11.280  4.5076  -1.037976      6.264317 
1 1 1 13  -20 36 o 14.230  3.3284  26.764    16.922    54.647    24.685    2.0419    23.244    18.242  4.9333  10.218  4.4692  8.023547       6.656699 
1 1 1 13  -20 37 o 25.421  3.3869  105.962   22.132    125.549   31.768    87.489    30.851    28.165  4.3512  22.676  5.1914  5.488934       6.773764 
1 1 1 13  -20 38 o 9.7497  2.9033  8.1132    12.453    0.9759    23.002    11.073    14.812    9.7735  4.3524  9.7259  3.8436  0.4763412E-01  5.806566 
1 1 1 13  -20 39 o 12.309  3.6964  19.750    20.416    17.503    25.186    24.056    34.864    11.650  4.8572  12.968  5.5731  -1.318669      7.392720 
1 1 1 13  -20 40 o 7.3514  2.5263  -11.8645  11.229    -32.3203  30.186    -8.5792   12.097    8.4768  4.1288  6.2261  2.9123  2.250674       5.052616 
1 1 1 13  -20 41 o 14.150  3.2908  39.874    16.440    11.652    31.197    50.725    19.344    11.222  5.0279  17.077  4.2470  -5.854306      6.581556 
1 1 1 13  -20 42 o 8.4864  2.7629  -12.5232  12.151    20.348    25.036    -22.6508  13.897    11.424  4.8083  5.5484  2.7232  5.876075       5.525898 
1 1 1 13  -20 43 o 9.6407  3.0561  4.2566    14.567    23.171    27.699    -2.9747   17.127    11.486  4.9519  7.7958  3.5828  3.689749       6.112118 
1 1 1 13  -20 44 o 11.859  3.3146  30.665    15.922    20.517    31.475    34.154    18.458    10.842  4.9348  12.876  4.4265  -2.034670      6.629179 
1 1 1 13  -19 0  o 175.652 3.5454  4166.04   166.739   4318.75   236.691   4015.60   234.929   178.868 4.9404  172.435 5.0865  6.432617       7.090852 
1 1 1 13  -19 1  o 111.425 2.5540  1671.30   76.134    1588.15   108.142   1753.02   107.203   108.661 3.7156  114.189 3.5050  -5.528259      5.107949 
1 1 1 13  -19 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -19 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -19 4  o 136.553 6.0649  2524.81   221.828   2524.81   221.828   0.0000    0.0000    136.553 6.0649  ?       ?       ?              ?        
1 1 1 13  -19 5  f 68.117  1.9978  622.890   36.450    623.617   51.574    622.163   51.523    68.157  2.8251  68.077  2.8256  0.7953644E-01  3.995600 
1 1 1 13  -19 6  o 58.898  1.9073  465.793   30.053    436.911   42.309    495.204   42.696    57.051  2.7687  60.745  2.6241  -3.693954      3.814680 
1 1 1 13  -19 7  o 116.014 2.6049  1810.46   80.912    1751.44   114.447   1869.43   114.407   114.115 3.7443  117.912 3.6225  -3.797012      5.209804 
1 1 1 13  -19 8  o 164.169 3.3545  3635.39   147.449   3519.53   208.462   3751.39   208.587   161.533 4.8181  166.805 4.6686  -5.271973      6.708981 
1 1 1 13  -19 9  o 136.919 2.9329  2524.35   107.550   2482.84   151.886   2566.09   152.314   135.785 4.1761  138.053 4.1191  -2.267838      5.865769 
1 1 1 13  -19 10 o 51.261  1.9096  353.457   26.116    342.446   36.382    365.164   37.512    50.435  2.7030  52.086  2.6981  -1.651108      3.819111 
1 1 1 13  -19 11 o 118.930 2.6043  1903.29   82.944    1936.76   116.852   1869.30   117.754   119.991 3.6358  117.870 3.7298  2.121872       5.208685 
1 1 1 13  -19 12 o 40.493  1.8586  220.982   20.047    217.558   28.053    224.555   28.657    40.172  2.6215  40.814  2.6355  -0.6422081     3.717284 
1 1 1 13  -19 13 o 53.499  2.1995  391.337   29.965    406.379   37.613    365.206   49.575    55.020  2.5523  51.977  3.5828  3.043076       4.398935 
1 1 1 13  -19 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -19 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -19 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -19 17 f 115.722 2.5700  1805.09   79.656    1805.24   113.202   1804.95   112.108   115.723 3.6521  115.721 3.6169  0.1968384E-02  5.140012 
1 1 1 13  -19 18 o 57.752  1.9129  448.297   29.581    455.166   42.472    441.826   41.224    58.180  2.7254  57.325  2.6848  0.8555222      3.825754 
1 1 1 13  -19 19 o 12.333  2.9826  18.908    11.828    18.275    17.483    19.443    16.063    12.315  4.3038  12.351  4.1305  -0.3517056E-01 5.965167 
1 1 1 13  -19 20 o 11.812  2.9733  15.966    12.092    9.3552    17.934    21.477    16.374    10.818  4.2438  12.805  4.1655  -1.986823      5.946568 
1 1 1 13  -19 21 o 21.100  2.6569  62.740    14.148    106.753   21.151    27.100    19.033    28.000  2.8603  14.200  4.4783  13.80069       5.313776 
1 1 1 13  -19 22 o 14.357  3.0172  28.419    12.675    21.350    18.386    34.821    17.497    12.995  4.4188  15.719  4.1096  -2.723981      6.034435 
1 1 1 13  -19 23 o 27.266  2.2369  101.549   15.967    114.069   23.293    90.451    21.929    28.887  3.0569  25.646  3.2666  3.241302       4.473843 
1 1 1 13  -19 24 f 64.149  2.0430  557.763   35.038    530.353   50.216    583.768   48.912    62.586  2.9955  65.712  2.7790  -3.125988      4.086061 
1 1 1 13  -19 25 o 22.876  2.5305  72.918    14.758    92.045    21.562    56.062    20.242    25.842  3.1824  19.909  3.9353  5.932581       5.061042 
1 1 1 13  -19 26 o 8.6451  2.5419  -4.1058   10.915    12.291    15.460    -20.4035  15.413    10.735  4.0056  6.5548  3.1307  4.180690       5.083898 
1 1 1 13  -19 27 o 25.593  2.4883  91.134    16.361    111.786   23.947    73.057    22.405    28.437  3.1996  22.750  3.8116  5.686741       4.976547 
1 1 1 13  -19 28 o 37.665  2.1550  194.438   21.512    209.174   31.589    181.694   29.376    38.999  3.0483  36.332  3.0468  2.667156       4.309917 
1 1 1 13  -19 29 o 9.6666  2.8038  3.7791    11.831    11.226    17.280    -2.7932   16.233    10.814  4.1868  8.5195  3.7304  2.294208       5.607567 
1 1 1 13  -19 30 o 31.377  5.6745  147.301   45.934    147.301   45.934    0.0000    0.0000    31.377  5.6745  ?       ?       ?              ?        
1 1 1 13  -19 31 o 32.999  3.3571  152.530   29.259    0.0000    0.0000    152.530   29.259    ?       ?       32.999  3.3571  ?              ?        
1 1 1 13  -19 32 o 17.222  3.3246  43.840    15.938    54.665    23.372    34.432    21.789    19.113  4.6171  15.331  4.7848  3.781869       6.649209 
1 1 1 13  -19 33 o 38.450  2.4240  211.046   24.413    182.988   35.181    237.103   33.904    35.761  3.7277  41.140  3.0996  -5.378494      4.847985 
1 1 1 13  -19 34 o 34.562  2.6161  173.351   23.487    144.159   33.152    202.766   33.279    31.363  4.0404  37.762  3.3241  -6.398558      5.232102 
1 1 1 13  -19 35 f 52.375  2.3974  393.769   33.407    414.224   47.184    373.210   47.305    53.848  3.2872  50.902  3.4907  2.945713       4.794896 
1 1 1 13  -19 36 o 30.721  3.3113  147.952   25.720    151.247   33.352    143.116   40.398    31.710  4.0169  29.733  5.2653  1.976227       6.622590 
1 1 1 13  -19 37 o 26.409  3.2130  127.986   19.360    65.227    32.629    162.088   24.052    19.101  5.8378  33.716  2.6856  -14.61461      6.425925 
1 1 1 13  -19 38 o 24.769  2.8188  91.127    17.257    114.010   30.196    80.028    21.029    26.621  4.3876  22.916  3.5401  3.705486       5.637691 
1 1 1 13  -19 39 o 22.130  3.2083  79.905    17.365    89.758    30.755    75.293    21.039    22.375  5.2263  21.884  3.7226  0.4909630      6.416537 
1 1 1 13  -19 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -19 41 o 21.517  3.3679  86.170    18.005    74.777    31.861    91.515    21.823    18.977  5.7620  24.058  3.4885  -5.080906      6.735753 
1 1 1 13  -19 42 o 20.637  3.3273  64.874    17.862    134.633   33.041    36.069    21.232    27.439  4.6626  13.835  4.7480  13.60346       6.654571 
1 1 1 13  -19 43 o 17.552  3.5694  50.089    17.124    107.362   32.990    28.967    20.035    22.725  5.4830  12.380  4.5716  10.34505       7.138827 
1 1 1 13  -19 44 o 10.973  3.2886  14.590    14.609    45.595    29.747    4.7357    16.770    13.517  5.4126  8.4286  3.7368  5.088441       6.577212 
1 1 1 13  -18 0  o 133.420 3.4974  2396.37   118.501   2388.94   145.923   2410.76   203.072   133.256 4.0883  133.583 5.6756  -0.3271637     6.994738 
1 1 1 13  -18 1  o 114.229 2.5408  1754.27   77.704    1705.42   110.352   1802.31   109.435   112.645 3.6575  115.814 3.5278  -3.169922      5.081573 
1 1 1 13  -18 2  o 45.254  1.8392  275.809   22.179    262.299   31.341    289.361   31.390    44.134  2.6637  46.374  2.5368  -2.239975      3.678396 
1 1 1 13  -18 3  o 60.245  1.8997  487.123   30.645    476.468   43.490    497.631   43.190    59.588  2.7248  60.901  2.6477  -1.312275      3.799345 
1 1 1 13  -18 4  o 38.779  1.8359  202.722   18.953    206.555   26.650    198.799   26.959    39.156  2.5551  38.403  2.6369  0.7529869      3.671753 
1 1 1 13  -18 5  o 121.784 2.6698  1993.95   87.081    1976.95   123.477   2010.79   122.828   121.264 3.8016  122.304 3.7495  -1.039856      5.339520 
1 1 1 13  -18 6  o 66.676  2.0051  596.987   35.767    561.225   50.418    633.220   50.749    64.661  2.9111  68.691  2.7583  -4.030342      4.010292 
1 1 1 13  -18 7  o 118.459 2.6397  1886.79   83.726    1827.56   118.295   1946.24   118.518   116.589 3.7881  120.328 3.6773  -3.739555      5.279394 
1 1 1 13  -18 8  o 167.252 3.3644  3770.11   150.699   3697.20   213.005   3843.19   213.236   165.624 4.8015  168.881 4.7140  -3.257858      6.728788 
1 1 1 13  -18 9  o 56.970  1.9283  435.680   29.321    401.198   40.801    472.505   42.165    54.601  2.7993  59.339  2.6529  -4.737926      3.856662 
1 1 1 13  -18 10 o 90.225  2.1757  1093.57   52.562    1115.04   73.889    1071.58   74.787    91.126  3.0273  89.325  3.1258  1.800987       4.351450 
1 1 1 13  -18 11 o 115.107 2.5070  1781.32   77.285    1802.82   108.895   1759.50   109.705   115.812 3.5105  114.403 3.5801  1.408089       5.014071 
1 1 1 13  -18 12 o 56.321  1.8622  425.595   28.085    412.479   39.375    439.178   40.071    55.437  2.6517  57.205  2.6152  -1.767693      3.724366 
1 1 1 13  -18 13 o 66.390  1.9105  591.769   33.964    606.726   48.006    576.780   48.059    67.232  2.6658  65.547  2.7373  1.684189       3.820962 
1 1 1 13  -18 14 o 135.370 2.8735  2467.91   104.183   2437.82   147.518   2497.85   147.156   134.541 4.0935  136.199 4.0338  -1.657303      5.747062 
1 1 1 13  -18 15 o 100.664 2.3162  1362.12   62.446    1385.95   88.755    1338.76   87.876    101.537 3.2635  99.791  3.2877  1.746384       4.632394 
1 1 1 13  -18 16 o 94.099  2.2434  1190.52   56.534    1181.87   80.512    1198.94   79.402    93.758  3.2060  94.440  3.1390  -0.6821365     4.486812 
1 1 1 13  -18 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -18 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -18 19 o 61.449  1.9567  508.679   32.135    487.151   46.357    528.591   44.585    60.185  2.8757  62.712  2.6543  -2.527115      3.913413 
1 1 1 13  -18 20 o 64.649  1.9898  561.768   34.435    590.410   49.503    534.916   47.931    66.247  2.7898  63.052  2.8381  3.195148       3.979696 
1 1 1 13  -18 21 o 28.095  2.2816  108.023   16.790    104.965   24.603    110.689   22.971    27.689  3.3881  28.500  3.0568  -0.8116169     4.563261 
1 1 1 13  -18 22 f 50.493  1.9251  343.174   25.912    378.331   37.532    311.154   35.818    53.009  2.6434  47.977  2.7994  5.031601       3.850195 
1 1 1 13  -18 23 o 10.473  2.6760  5.1350    11.716    -17.1281  16.974    25.397    16.193    7.3363  3.4374  13.610  4.1023  -6.273698      5.352046 
1 1 1 13  -18 24 o 72.717  2.1422  714.869   41.709    718.042   59.821    711.867   58.185    72.866  3.0651  72.568  2.9935  0.2977066      4.284337 
1 1 1 13  -18 25 o 77.071  2.1836  804.684   45.070    817.828   64.392    792.059   63.106    77.686  3.0946  76.456  3.0815  1.229935       4.367189 
1 1 1 13  -18 26 o 19.001  2.8359  53.159    14.054    34.332    20.608    69.529    19.217    15.625  4.6089  22.377  3.3057  -6.751349      5.671845 
1 1 1 13  -18 27 o 13.952  2.5449  21.829    13.044    -15.8895  18.940    55.859    17.990    7.9664  3.6988  19.937  3.4963  -11.97054      5.089731 
1 1 1 13  -18 28 f 55.638  2.1339  423.652   31.663    416.135   45.268    430.852   44.304    55.129  3.0779  56.146  2.9565  -1.016289      4.267822 
1 1 1 13  -18 29 o 36.763  2.1990  185.887   21.419    195.499   31.318    177.439   29.360    37.651  3.1339  35.874  3.0855  1.776817       4.397935 
1 1 1 13  -18 30 o 32.142  2.3689  143.786   20.067    153.466   28.787    134.636   27.988    33.230  3.2770  31.054  3.4217  2.176113       4.737819 
1 1 1 13  -18 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -18 32 o 61.894  2.2584  531.706   37.355    546.210   52.721    517.082   52.937    62.819  3.1333  60.968  3.2534  1.851471       4.516890 
1 1 1 13  -18 33 o 50.851  2.2985  361.889   31.130    375.000   44.314    349.116   43.739    51.790  3.2104  49.911  3.2902  1.878311       4.596955 
1 1 1 13  -18 34 o 57.747  2.3592  470.853   36.323    460.307   51.534    481.265   51.204    57.057  3.3872  58.437  3.2847  -1.379536      4.718311 
1 1 1 13  -18 35 o 48.568  2.1081  320.778   26.811    404.737   42.876    266.870   34.356    53.610  2.9979  43.527  2.9645  10.08323       4.216152 
1 1 1 13  -18 36 o 25.556  2.6221  92.985    16.848    111.068   28.478    83.248    20.898    27.212  4.0290  23.900  3.3571  3.311857       5.244285 
1 1 1 13  -18 37 o 15.720  3.1514  40.884    13.791    31.349    24.555    45.277    16.669    14.208  5.0876  17.232  3.7203  -3.024226      6.302706 
1 1 1 13  -18 38 o 14.044  3.2579  28.250    13.313    45.070    24.378    21.102    15.892    16.240  5.0598  11.848  4.1053  4.391953       6.515799 
1 1 1 13  -18 39 o 11.185  3.1746  16.180    14.050    10.382    25.791    18.627    16.754    11.100  4.7820  11.271  4.1768  -0.1707859     6.349293 
1 1 1 13  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -18 41 o 13.755  3.4155  33.379    14.766    35.967    27.806    32.362    17.427    13.831  5.3234  13.678  4.2808  0.1535988      6.831089 
1 1 1 13  -18 42 o 15.074  3.4046  30.895    15.771    80.385    29.665    11.396    18.620    20.191  5.3859  9.9569  4.1661  10.23362       6.809125 
1 1 1 13  -18 43 o 10.498  3.2466  11.937    15.475    20.010    30.715    9.1902    17.914    11.584  5.1001  9.4134  4.0188  2.170071       6.493196 
1 1 1 13  -18 44 o 13.997  3.4274  44.479    17.069    26.582    32.627    51.223    20.028    11.722  5.2038  16.271  4.4619  -4.548947      6.854803 
1 1 1 13  -18 45 o 8.7883  2.9546  -3.0867   15.225    21.087    32.028    -10.1441  17.305    10.620  4.8877  6.9561  3.3210  3.664311       5.909209 
1 1 1 13  -17 0  o 108.821 2.4795  1590.51   72.262    1625.40   102.788   1556.40   101.610   110.003 3.4886  107.640 3.5243  2.363533       4.958925 
1 1 1 13  -17 1  o 120.504 2.6753  1957.11   86.014    1763.53   121.909   2149.01   121.377   114.532 3.9740  126.476 3.5829  -11.94456      5.350685 
1 1 1 13  -17 2  o 70.663  2.0028  671.254   37.820    621.654   53.658    720.222   53.316    68.059  2.9435  73.267  2.7168  -5.208694      4.005635 
1 1 1 13  -17 3  o 65.314  1.9503  573.167   34.056    534.453   48.246    611.613   48.079    63.109  2.8542  67.520  2.6585  -4.410976      3.900516 
1 1 1 13  -17 4  o 65.983  1.9416  584.184   34.313    578.774   48.553    589.582   48.499    65.677  2.7600  66.289  2.7315  -0.6116638     3.883180 
1 1 1 13  -17 5  o 47.795  1.8151  307.347   23.148    309.008   32.503    305.638   32.975    47.929  2.5409  47.661  2.5928  0.2672691      3.630268 
1 1 1 13  -17 6  o 99.829  2.3358  1338.37   62.457    1338.15   88.310    1338.59   88.345    99.820  3.3030  99.837  3.3037  -0.1665497E-01 4.671618 
1 1 1 13  -17 7  o 107.676 2.4476  1557.54   70.589    1554.42   99.599    1560.70   100.059   107.568 3.4569  107.784 3.4659  -0.2161789     4.895106 
1 1 1 13  -17 8  o 96.943  2.2957  1261.95   59.602    1232.53   83.832    1292.03   84.754    95.799  3.2671  98.087  3.2260  -2.288162      4.591382 
1 1 1 13  -17 9  o 105.560 2.4300  1496.82   68.701    1472.64   96.601    1521.57   97.724    104.696 3.4448  106.423 3.4283  -1.726730      4.859985 
1 1 1 13  -17 10 o 157.224 3.1855  3329.15   134.136   3371.31   189.279   3286.62   190.119   158.231 4.4660  156.217 4.5437  2.014908       6.371055 
1 1 1 13  -17 11 o 47.228  1.8045  300.362   22.700    326.874   32.087    273.797   32.119    49.363  2.4268  45.092  2.6712  4.271572       3.609001 
1 1 1 13  -17 12 o 104.216 2.3707  1459.20   66.176    1453.80   93.544    1464.61   93.630    104.022 3.3574  104.409 3.3480  -0.3869400     4.741428 
1 1 1 13  -17 13 o 103.394 2.3534  1436.57   65.164    1410.57   92.372    1462.34   91.942    102.458 3.3659  104.329 3.2902  -1.870987      4.706871 
1 1 1 13  -17 14 o 161.763 3.2753  3527.40   141.908   3508.33   201.054   3546.33   200.324   161.323 4.6529  162.204 4.6109  -0.8808136     6.550571 
1 1 1 13  -17 15 o 170.718 3.4053  3932.00   155.709   3935.25   220.818   3928.78   219.598   170.786 4.8272  170.651 4.8043  0.1346283      6.810512 
1 1 1 13  -17 16 o 170.385 3.3937  3917.89   154.872   3979.54   219.896   3857.20   218.158   171.720 4.7809  169.050 4.8180  2.670258       6.787485 
1 1 1 13  -17 17 f 39.523  1.8786  210.428   19.730    214.305   28.971    207.076   26.943    39.856  2.7303  39.190  2.5812  0.6656418      3.757217 
1 1 1 13  -17 18 o 155.756 3.1695  3274.49   132.225   3294.86   187.805   3254.46   186.195   156.235 4.4879  155.277 4.4768  0.9577484      6.339025 
1 1 1 13  -17 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -17 20 o 94.836  2.8400  1208.74   67.522    1229.25   119.015   1199.01   81.995    95.297  4.6627  94.376  3.2437  0.9212570      5.679946 
1 1 1 13  -17 21 o 55.575  1.9769  416.189   29.344    412.171   42.352    419.898   40.694    55.274  2.8705  55.877  2.7190  -0.6031380     3.953847 
1 1 1 13  -17 22 o 52.257  2.0024  369.706   27.841    344.355   40.257    392.949   38.546    50.472  2.9912  54.041  2.6630  -3.569321      4.004817 
1 1 1 13  -17 23 o 52.013  2.0082  365.122   27.849    377.837   40.392    353.601   38.449    52.874  2.8628  51.152  2.8171  1.721573       4.016423 
1 1 1 13  -17 24 o 48.760  2.0178  321.497   26.218    329.825   37.981    313.917   36.237    49.358  2.8854  48.161  2.8214  1.197449       4.035586 
1 1 1 13  -17 25 f 13.916  2.7037  22.576    12.606    49.914    18.226    -2.5016   17.456    18.845  3.7427  8.9872  3.9028  9.857816       5.407357 
1 1 1 13  -17 26 o 55.838  2.0721  423.125   30.870    439.754   44.110    407.164   43.218    56.923  2.9028  54.754  2.9579  2.169327       4.144269 
1 1 1 13  -17 27 o 16.368  2.8889  37.728    12.854    49.943    18.782    26.969    17.629    18.768  3.8650  13.969  4.2947  4.799224       5.777747 
1 1 1 13  -17 28 o 10.892  2.9683  11.242    12.241    10.483    17.699    11.939    16.949    10.842  4.2263  10.941  4.1693  -0.9899330E-01 5.936688 
1 1 1 13  -17 29 o 14.285  3.0573  28.677    13.166    18.259    19.363    37.635    17.954    12.407  4.5078  16.164  4.1314  -3.756423      6.114630 
1 1 1 13  -17 30 o 50.720  2.1975  354.005   29.704    363.851   42.227    344.362   41.792    51.433  3.0794  50.008  3.1359  1.425575       4.395087 
1 1 1 13  -17 31 o 35.697  3.4044  177.643   32.157    177.643   32.157    0.0000    0.0000    35.697  3.4044  ?       ?       ?              ?        
1 1 1 13  -17 32 o 62.108  2.8267  548.918   44.083    530.587   75.105    558.552   54.448    60.743  4.6515  63.472  3.2131  -2.728718      5.653391 
1 1 1 13  -17 33 o 28.161  2.3421  112.377   16.738    109.116   27.018    114.408   21.323    27.631  3.7472  28.691  2.8108  -1.059673      4.684238 
1 1 1 13  -17 34 o 29.471  2.3069  117.143   17.460    155.647   28.482    93.963    22.099    33.217  3.2426  25.725  3.2820  7.492203       4.613738 
1 1 1 13  -17 35 o 21.855  2.8940  73.767    15.457    61.764    25.913    80.396    19.258    19.948  4.8881  23.761  3.0997  -3.812719      5.788076 
1 1 1 13  -17 36 o 10.430  2.7039  13.108    10.875    -7.9252   20.333    21.536    12.871    8.7666  3.9810  12.094  3.6601  -3.327110      5.407857 
1 1 1 13  -17 37 o 23.861  2.7913  79.976    16.563    112.028   28.671    63.923    20.291    27.167  4.0650  20.555  3.8263  6.612446       5.582568 
1 1 1 13  -17 38 o 13.193  2.8608  27.803    13.709    -6.8230   24.066    44.436    16.680    9.4358  4.3027  16.949  3.7714  -7.513421      5.721583 
1 1 1 13  -17 39 o 14.542  3.2052  37.582    14.643    18.565    27.273    45.284    17.357    12.230  5.0730  16.854  3.9190  -4.624698      6.410435 
1 1 1 13  -17 40 o 11.784  5.6224  -13.7042  49.437    -13.7042  49.437    0.0000    0.0000    11.784  5.6224  ?       ?       ?              ?        
1 1 1 13  -17 41 o 15.023  3.3234  42.480    15.299    29.769    27.815    47.993    18.319    13.124  5.2414  16.922  4.0875  -3.798527      6.646782 
1 1 1 13  -17 42 o 16.587  3.5851  52.264    16.864    54.085    30.177    51.437    20.336    16.079  5.6523  17.095  4.4116  -1.015566      7.170138 
1 1 1 13  -17 43 o 13.585  3.2725  37.164    16.834    4.7084    31.445    50.203    19.931    10.524  4.8432  16.647  4.4024  -6.122993      6.545088 
1 1 1 13  -17 44 o 15.557  3.6774  55.055    18.464    47.842    33.831    58.115    22.036    13.865  5.6905  17.249  4.6596  -3.384485      7.354786 
1 1 1 13  -17 45 f 15.617  3.8651  57.739    18.705    81.577    34.173    47.542    22.350    16.750  6.0014  14.483  4.8721  2.267036       7.730146 
1 1 1 13  -16 0  o 147.070 3.0928  2909.46   121.828   2939.42   172.933   2879.93   171.656   147.822 4.3677  146.317 4.3800  1.505386       6.185552 
1 1 1 13  -16 1  o 121.185 2.6407  1974.85   85.633    1884.80   121.548   2063.59   120.664   118.430 3.8318  123.941 3.6348  -5.511024      5.281459 
1 1 1 13  -16 2  f 204.264 3.9649  5634.63   216.620   5299.23   306.740   5968.33   305.956   198.148 5.7795  210.381 5.4296  -12.23331      7.929879 
1 1 1 13  -16 3  o 65.137  1.9069  569.209   33.255    591.351   47.231    547.442   46.830    66.395  2.6558  63.879  2.7370  2.515770       3.813747 
1 1 1 13  -16 4  f 60.899  1.8723  497.549   30.539    490.838   43.242    504.228   43.135    60.489  2.6689  61.310  2.6267  -0.8211327     3.744686 
1 1 1 13  -16 5  o 70.731  1.9477  671.273   36.893    655.379   52.110    687.245   52.239    69.890  2.7837  71.572  2.7250  -1.681648      3.895433 
1 1 1 13  -16 6  o 39.628  1.7690  211.145   18.666    201.291   25.846    221.889   26.986    38.658  2.5096  40.597  2.4938  -1.939007      3.537984 
1 1 1 13  -16 7  o 102.048 2.3719  1398.48   64.831    1396.04   91.385    1400.94   91.988    101.959 3.3463  102.136 3.3625  -0.1774902     4.743814 
1 1 1 13  -16 8  o 97.462  2.2735  1275.44   59.345    1278.81   83.495    1272.00   84.364    97.594  3.1941  97.330  3.2361  0.2633133      4.546938 
1 1 1 13  -16 9  o 185.043 3.6494  4617.02   180.866   4665.73   255.432   4568.05   256.137   186.031 5.1263  184.056 5.1956  1.974152       7.298805 
1 1 1 13  -16 10 o 91.387  2.1565  1121.38   52.777    1138.32   74.369    1104.19   74.911    92.085  3.0152  90.689  3.0839  1.396057       4.312970 
1 1 1 13  -16 11 o 74.304  1.9609  740.918   39.026    742.696   55.182    739.139   55.201    74.393  2.7693  74.214  2.7769  0.1787796      3.921810 
1 1 1 13  -16 12 f 24.865  2.0097  84.811    12.993    73.533    18.709    95.318    18.059    23.199  3.0875  26.530  2.5737  -3.330843      4.019465 
1 1 1 13  -16 13 o 88.517  2.1397  1052.08   50.724    1047.51   72.213    1056.54   71.265    88.325  3.0524  88.709  2.9993  -0.3838654     4.279346 
1 1 1 13  -16 14 o 125.895 2.6828  2131.23   90.462    2155.73   128.621   2107.25   127.256   126.611 3.7927  125.179 3.7954  1.431915       5.365589 
1 1 1 13  -16 15 o 144.561 2.9885  2813.31   115.711   2840.54   164.561   2786.68   162.733   145.252 4.2298  143.869 4.2230  1.382431       5.976996 
1 1 1 13  -16 16 o 192.625 3.7843  5013.26   195.246   5010.75   277.071   5015.75   275.178   192.571 5.3717  192.680 5.3320  -0.1086121     7.568696 
1 1 1 13  -16 17 o 17.468  2.8166  43.273    12.865    37.170    19.296    48.158    17.261    16.324  4.3388  18.612  3.5927  -2.287485      5.633183 
1 1 1 13  -16 18 o 170.235 3.4290  3914.40   156.301   3815.33   221.694   4012.32   220.397   168.070 4.9246  172.399 4.7729  -4.328354      6.858029 
1 1 1 13  -16 19 o 112.002 2.5609  1688.34   76.819    1698.36   109.403   1678.60   107.890   112.327 3.6363  111.676 3.6069  0.6509933      5.121717 
1 1 1 13  -16 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -16 21 o 173.071 4.4204  4114.34   191.773   4012.29   334.037   4164.51   234.219   170.868 7.2987  175.273 4.9890  -4.404770      8.840878 
1 1 1 13  -16 22 o 127.144 2.8108  2184.83   95.714    2163.31   135.873   2206.02   134.852   126.512 4.0097  127.775 3.9402  -1.262779      5.621662 
1 1 1 13  -16 23 o 47.526  2.0323  305.583   25.719    296.684   36.913    313.979   35.854    46.838  2.9576  48.214  2.7882  -1.376369      4.064664 
1 1 1 13  -16 24 o 27.933  2.5176  107.370   17.773    143.451   26.119    76.259    24.254    32.470  3.0386  23.396  4.0151  9.074799       5.035260 
1 1 1 13  -16 25 o 38.400  2.0879  199.774   21.283    211.495   31.006    189.329   29.268    39.468  2.9543  37.332  2.9511  2.136738       4.175783 
1 1 1 13  -16 26 o 34.054  2.1682  158.279   19.542    156.555   28.230    159.864   27.079    33.858  3.1490  34.251  2.9814  -0.3925514     4.336466 
1 1 1 13  -16 27 o 6.8777  2.2564  -12.1751  9.9593    -14.2371  14.060    -10.0985  14.110    6.6614  3.1235  7.0940  3.2571  -0.4326458     4.512773 
1 1 1 13  -16 28 o 43.700  2.1295  260.955   24.716    282.437   35.179    240.013   34.734    45.515  2.9007  41.884  3.1184  3.631084       4.258948 
1 1 1 13  -16 29 o 53.382  2.1611  390.005   30.763    398.557   43.438    381.400   43.575    53.986  3.0160  52.778  3.0959  1.207546       4.322198 
1 1 1 13  -16 30 o 38.734  2.1936  206.825   22.515    190.981   31.728    222.896   31.954    37.189  3.2169  40.278  2.9831  -3.088852      4.387154 
1 1 1 13  -16 31 o 14.096  2.9209  27.065    11.231    33.320    19.516    23.968    13.734    15.211  4.4846  12.981  3.7436  2.230888       5.841784 
1 1 1 13  -16 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -16 33 o 10.118  2.7798  10.072    10.241    8.0874    18.601    10.935    12.268    10.499  4.2532  9.7365  3.5803  0.7629967      5.559565 
1 1 1 13  -16 34 o 21.611  2.7019  62.581    14.459    88.350    25.280    50.052    17.627    24.670  3.9597  18.552  3.6772  6.117563       5.403823 
1 1 1 13  -16 35 o 37.001  2.2730  193.433   21.775    194.030   34.634    193.043   28.002    36.834  3.5545  37.168  2.8341  -0.3339577     4.546072 
1 1 1 13  -16 36 o 15.621  2.8356  40.893    13.970    5.5406    23.462    60.311    17.389    10.850  4.6149  20.391  3.2961  -9.541018      5.671128 
1 1 1 13  -16 37 o 28.312  2.6062  119.093   18.468    115.965   30.289    120.944   23.300    27.597  4.2328  29.027  3.0420  -1.430445      5.212464 
1 1 1 13  -16 38 o 9.7024  2.6879  -8.8603   10.760    31.839    20.932    -23.4791  12.545    14.146  4.7149  5.2584  2.5822  8.887967       5.375712 
1 1 1 13  -16 39 o 9.2714  2.6934  4.9418    12.067    -24.0589  22.613    16.488    14.268    7.7964  3.7419  10.746  3.8749  -2.950042      5.386704 
1 1 1 13  -16 40 o 20.823  5.3109  78.754    29.714    78.754    29.714    0.0000    0.0000    20.823  5.3109  ?       ?       ?              ?        
1 1 1 13  -16 41 o 9.8298  2.9951  7.7947    13.817    -2.0072   26.129    11.599    16.279    9.7914  4.4720  9.8682  3.9855  -0.7686138E-01 5.990195 
1 1 1 13  -16 42 o 19.059  3.6187  63.859    17.755    83.409    32.211    55.326    21.280    20.366  5.6869  17.751  4.4765  2.615717       7.237374 
1 1 1 13  -16 43 o 13.952  3.6297  38.894    17.729    33.610    32.719    41.090    21.094    13.154  5.5143  14.750  4.7213  -1.596494      7.259346 
1 1 1 13  -16 44 o 12.922  3.1614  34.232    16.675    -7.8937   32.542    49.232    19.418    9.5918  4.5723  16.253  4.3671  -6.661372      6.322809 
1 1 1 13  -16 45 o 9.9542  3.1342  13.579    15.719    14.483    30.366    13.247    18.372    10.361  4.7650  9.5475  4.0727  0.8135633      6.268339 
1 1 1 13  -15 0  o 46.821  1.7697  295.230   22.081    280.321   31.456    309.714   31.003    45.645  2.5835  47.998  2.4193  -2.353340      3.539406 
1 1 1 13  -15 1  o 205.033 3.9789  5670.74   218.420   5493.61   309.442   5846.62   308.346   201.816 5.7245  208.249 5.5280  -6.433060      7.957882 
1 1 1 13  -15 2  o 180.558 3.5579  4397.42   171.671   4061.42   243.128   4731.50   242.432   173.629 5.2279  187.487 4.8276  -13.85831      7.115894 
1 1 1 13  -15 3  o 58.909  1.8283  465.395   28.847    474.055   40.986    456.895   40.607    59.453  2.5738  58.366  2.5975  1.086777       3.656683 
1 1 1 13  -15 4  o 153.265 3.1354  3160.07   128.685   3096.11   182.412   3223.43   181.566   151.713 4.4889  154.817 4.3785  -3.104614      6.270707 
1 1 1 13  -15 5  o 42.244  1.7411  240.134   19.606    240.324   27.320    239.932   28.153    42.265  2.4234  42.224  2.5005  0.4084015E-01  3.482157 
1 1 1 13  -15 6  o 16.443  2.0620  37.313    8.7270    32.657    12.103    42.356    12.596    15.330  3.0547  17.556  2.7705  -2.225811      4.123914 
1 1 1 13  -15 7  o 63.176  1.8578  535.443   31.427    538.969   43.972    531.762   44.933    63.390  2.5898  62.962  2.6644  0.4280624      3.715636 
1 1 1 13  -15 8  o 58.670  1.7973  461.939   28.226    470.643   39.459    452.818   40.392    59.238  2.4869  58.102  2.5955  1.136322       3.594588 
1 1 1 13  -15 9  o 175.338 3.4532  4140.69   162.176   4145.87   228.938   4135.47   229.766   175.450 4.8716  175.225 4.8955  0.2250061      6.906456 
1 1 1 13  -15 10 o 36.348  1.7129  178.351   16.510    159.314   23.258    197.685   23.439    34.369  2.5446  38.327  2.2937  -3.957577      3.425806 
1 1 1 13  -15 11 o 131.329 2.7775  2318.85   97.703    2311.54   138.367   2326.13   137.978   131.121 3.9398  131.537 3.9163  -0.4160767     5.555084 
1 1 1 13  -15 12 o 94.540  2.1964  1199.82   55.614    1223.28   79.116    1176.91   78.192    95.454  3.0944  93.626  3.1180  1.828209       4.392895 
1 1 1 13  -15 13 o 42.186  1.7297  238.911   19.359    273.927   28.137    207.435   26.677    45.133  2.3356  39.239  2.5521  5.893505       3.459497 
1 1 1 13  -15 14 o 174.725 3.4716  4115.43   162.457   4193.46   230.759   4038.75   228.751   176.372 4.8847  173.077 4.9344  3.295807       6.943266 
1 1 1 13  -15 15 o 80.744  2.0647  875.316   44.630    872.750   64.094    877.732   62.183    80.626  2.9679  80.862  2.8710  -0.2362595     4.129351 
1 1 1 13  -15 16 o 123.656 2.6915  2056.21   89.140    2081.96   127.041   2031.23   125.106   124.418 3.8122  122.895 3.8006  1.523621       5.383071 
1 1 1 13  -15 17 o 127.267 2.7917  2181.25   95.083    2096.10   135.224   2264.51   133.723   124.794 4.0455  129.741 3.8480  -4.947136      5.583334 
1 1 1 13  -15 18 o 70.324  2.0308  664.100   38.227    663.984   55.081    664.207   53.096    70.315  2.9246  70.334  2.8185  -0.1873779E-01 4.061633 
1 1 1 13  -15 19 o 73.812  2.0943  732.159   41.371    724.446   59.550    739.354   57.517    73.431  3.0277  74.193  2.8943  -0.7618637     4.188582 
1 1 1 13  -15 20 o 123.161 2.7237  2042.84   89.843    2076.42   127.760   2009.99   126.366   124.164 3.8416  122.158 3.8621  2.005981       5.447314 
1 1 1 13  -15 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -15 22 o 9.7385  2.7456  4.4512    11.260    -4.4708   15.926    13.370    15.923    8.3476  3.6740  11.129  4.0811  -2.781750      5.491190 
1 1 1 13  -15 23 o 40.160  2.0304  217.916   21.678    223.829   31.449    212.562   29.923    40.677  2.9056  39.644  2.8367  1.032879       4.060702 
1 1 1 13  -15 24 o 54.428  2.0952  401.075   30.363    374.107   43.155    427.510   42.727    52.588  3.0772  56.267  2.8443  -3.679092      4.190338 
1 1 1 13  -15 25 o 38.074  2.1513  196.782   21.746    204.833   31.114    189.094   30.406    38.845  3.0141  37.304  3.0704  1.541019       4.302549 
1 1 1 13  -15 26 f 75.631  2.2337  773.969   45.245    788.182   63.988    759.757   63.983    76.333  3.1297  74.929  3.1880  1.403107       4.467488 
1 1 1 13  -15 27 o 30.846  2.2533  130.527   18.306    121.525   25.906    139.505   25.870    29.745  3.3077  31.947  3.0607  -2.202320      4.506552 
1 1 1 13  -15 28 o 61.604  2.1506  515.419   35.483    513.802   49.855    517.078   50.513    61.510  3.0261  61.697  3.0567  -0.1870842     4.301185 
1 1 1 13  -15 29 o 80.071  2.2194  875.829   47.386    855.812   69.937    892.818   64.429    79.149  3.2989  80.993  2.9699  -1.844276      4.438852 
1 1 1 13  -15 30 o 25.432  2.5169  96.289    15.393    71.183    24.810    112.003   19.628    22.266  4.3160  28.599  2.5905  -6.333067      5.033719 
1 1 1 13  -15 31 o 8.9938  2.4636  6.8654    8.9077    -7.1928   16.187    12.972    10.668    7.9931  3.5981  9.9945  3.3661  -2.001375      4.927183 
1 1 1 13  -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -15 33 f 23.257  2.5077  72.286    14.673    101.045   24.426    56.047    18.354    26.742  3.4936  19.771  3.5985  6.970608       5.015402 
1 1 1 13  -15 34 o 30.942  2.2841  128.036   18.026    182.386   29.024    93.905    23.000    36.166  3.0239  25.718  3.4240  10.44859       4.568148 
1 1 1 13  -15 35 o 27.820  2.5228  112.359   17.505    105.678   28.726    116.305   22.077    26.841  4.1279  28.799  2.9015  -1.958738      5.045662 
1 1 1 13  -15 36 o 29.827  2.5307  129.682   19.035    124.548   30.896    132.823   24.166    29.010  4.0895  30.643  2.9822  -1.632360      5.061387 
1 1 1 13  -15 37 o 17.588  3.2112  45.835    14.662    59.611    25.217    38.799    18.022    19.320  4.8735  15.857  4.1829  3.463513       6.422438 
1 1 1 13  -15 38 o 15.634  3.3566  37.984    14.417    44.226    26.272    35.294    17.245    16.276  5.2751  14.993  4.1521  1.282758       6.713200 
1 1 1 13  -15 39 o 11.512  3.1439  14.024    12.787    30.415    23.891    7.4444    15.138    13.760  5.0060  9.2637  3.8047  4.495918       6.287778 
1 1 1 13  -15 40 o 14.867  4.0633  37.155    21.947    28.865    26.917    53.595    37.906    13.362  5.2110  16.373  6.2360  -3.010983      8.126629 
1 1 1 13  -15 41 o 15.934  3.4474  36.283    15.439    76.283    29.471    21.152    18.126    20.210  5.3575  11.659  4.3398  8.551200       6.894711 
1 1 1 13  -15 42 o 15.670  3.6323  43.652    16.560    57.431    29.999    37.613    19.860    16.802  5.6447  14.538  4.5731  2.263982       7.264663 
1 1 1 13  -15 43 o 13.805  3.6184  34.417    16.505    46.162    31.026    29.781    19.492    14.736  5.6347  12.874  4.5410  1.862167       7.236806 
1 1 1 13  -15 44 o 17.799  3.7903  63.987    18.487    80.459    33.546    56.802    22.155    18.410  5.9603  17.189  4.6842  1.221392       7.580676 
1 1 1 13  -15 45 o 14.553  3.2465  51.318    17.731    12.543    34.447    65.294    20.681    10.504  4.9137  18.603  4.2444  -8.098685      6.493024 
1 1 1 13  -14 0  o 94.849  2.2551  1207.06   57.272    1252.13   81.567    1163.24   80.433    96.597  3.1526  93.100  3.2255  3.496490       4.510255 
1 1 1 13  -14 1  o 108.713 2.4503  1589.80   71.166    1465.94   101.000   1711.93   100.292   104.488 3.6088  112.938 3.3154  -8.449768      4.900590 
1 1 1 13  -14 2  o 45.049  1.6902  272.872   20.315    281.640   28.828    264.223   28.632    45.772  2.3594  44.326  2.4208  1.446239       3.380393 
1 1 1 13  -14 3  o 187.313 3.6707  4725.16   184.115   4607.76   260.837   4841.73   259.921   184.980 5.2645  189.647 5.1169  -4.666992      7.341498 
1 1 1 13  -14 4  o 116.892 2.5833  1836.30   80.790    1737.66   114.368   1934.54   114.141   113.748 3.7538  120.037 3.5501  -6.289009      5.166627 
1 1 1 13  -14 5  o 216.519 4.2222  6328.23   244.580   5978.65   345.834   6678.04   345.943   210.490 6.1341  222.549 5.8035  -12.05919      8.444371 
1 1 1 13  -14 6  o 69.426  1.9457  647.587   35.923    550.619   50.112    750.094   51.523    64.064  2.9203  74.788  2.5720  -10.72401      3.891500 
1 1 1 13  -14 7  o 157.717 3.1553  3345.39   133.262   3255.48   188.041   3436.10   188.882   155.581 4.5124  159.853 4.4114  -4.272675      6.310513 
1 1 1 13  -14 8  o 167.807 3.3127  3790.66   148.733   3574.50   209.688   4009.54   210.999   162.970 4.8037  172.644 4.5629  -9.674240      6.625391 
1 1 1 13  -14 9  o 121.954 2.6175  1997.85   85.501    1999.39   120.720   1996.30   121.114   122.002 3.6942  121.906 3.7092  0.9569550E-01  5.235023 
1 1 1 13  -14 10 o 118.074 2.5481  1872.67   80.583    1861.44   114.137   1883.84   113.788   117.719 3.6199  118.428 3.5872  -0.7092285     5.096185 
1 1 1 13  -14 11 o 107.447 2.3921  1550.99   68.810    1505.00   97.679    1596.29   96.950    105.860 3.4449  109.034 3.3197  -3.174110      4.784112 
1 1 1 13  -14 12 o 57.346  1.8077  443.050   27.642    403.755   39.669    480.138   38.540    54.858  2.6997  59.834  2.4048  -4.975487      3.615453 
1 1 1 13  -14 13 o 128.029 2.6943  2202.86   92.383    2251.63   131.641   2155.53   129.679   129.427 3.7973  126.631 3.8233  2.795151       5.388637 
1 1 1 13  -14 14 o 19.652  2.1819  52.416    11.027    62.242    16.614    44.680    14.742    21.327  2.9907  17.977  3.1779  3.349827       4.363817 
1 1 1 13  -14 15 o 49.613  1.7841  330.801   23.606    336.815   34.284    325.379   32.551    50.039  2.5666  49.187  2.4787  0.8517113      3.568122 
1 1 1 13  -14 16 o 38.475  1.8727  199.444   19.135    201.460   28.103    197.702   26.128    38.648  2.7324  38.301  2.5616  0.3475075      3.745373 
1 1 1 13  -14 17 o 109.415 2.4970  1608.72   73.170    1639.50   104.435   1579.05   102.547   110.443 3.5303  108.387 3.5323  2.055580       4.994037 
1 1 1 13  -14 18 o 99.027  2.3748  1318.13   62.970    1303.77   89.876    1331.98   88.251    98.492  3.4069  99.562  3.3093  -1.069633      4.749553 
1 1 1 13  -14 19 o 129.985 2.8093  2274.37   97.762    2371.26   139.029   2179.60   137.496   132.734 3.9105  127.236 4.0345  5.497467       5.618657 
1 1 1 13  -14 20 o 65.200  2.0275  570.669   35.385    600.908   50.640    541.819   49.464    66.890  2.8265  63.511  2.9077  3.379017       4.055069 
1 1 1 13  -14 21 o 81.835  2.2085  900.122   48.385    938.980   68.994    862.517   67.873    83.576  3.0821  80.093  3.1639  3.483208       4.416906 
1 1 1 13  -14 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -14 23 o 168.847 3.5074  3869.13   158.607   3923.97   224.009   3814.00   224.600   170.066 4.9177  167.629 5.0023  2.437515       7.014748 
1 1 1 13  -14 24 o 56.719  2.0888  434.410   31.623    433.591   44.617    435.237   44.829    56.665  2.9498  56.772  2.9583  -0.1064339     4.177660 
1 1 1 13  -14 25 o 60.394  2.1082  492.430   34.026    472.335   47.847    512.992   48.398    59.102  3.0327  61.686  2.9292  -2.584747      4.216337 
1 1 1 13  -14 26 o 51.540  2.1124  360.303   29.000    376.863   40.766    343.336   41.264    52.762  2.8956  50.318  3.0765  2.444359       4.224844 
1 1 1 13  -14 27 f 77.871  2.1554  820.763   44.826    821.018   65.954    820.545   61.110    77.851  3.1629  77.892  2.9291  -0.4066467E-01 4.310883 
1 1 1 13  -14 28 o 77.100  2.1510  806.575   44.271    805.876   65.302    807.169   60.224    77.028  3.1651  77.172  2.9135  -0.1441727     4.301961 
1 1 1 13  -14 29 o 56.058  2.0104  426.305   29.928    435.741   45.171    418.921   39.957    56.530  2.9939  55.585  2.6838  0.9451103      4.020719 
1 1 1 13  -14 30 o 39.619  2.0567  217.885   21.187    198.726   32.675    231.783   27.830    37.983  3.2428  41.256  2.5307  -3.273354      4.113427 
1 1 1 13  -14 31 o 34.529  2.0759  161.463   18.769    179.936   29.540    148.956   24.306    36.123  3.0826  32.935  2.7813  3.187523       4.151900 
1 1 1 13  -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -14 33 o 18.800  2.8417  50.776    13.437    53.543    22.441    49.229    16.777    19.056  4.4732  18.545  3.5060  0.5117264      5.683496 
1 1 1 13  -14 34 o 39.170  2.1844  213.531   22.285    215.050   35.118    212.507   28.836    39.136  3.3833  39.203  2.7638  -0.6677246E-01 4.368708 
1 1 1 13  -14 35 o 10.287  2.7674  10.343    11.431    -6.7796   19.519    19.281    14.102    8.8081  3.9594  11.766  3.8675  -2.958362      5.534792 
1 1 1 13  -14 36 o 15.861  3.1662  37.049    13.377    42.424    23.613    34.508    16.233    16.551  4.9459  15.171  3.9544  1.380006       6.332380 
1 1 1 13  -14 37 o 21.909  3.0106  77.595    16.148    58.568    26.953    88.248    20.168    19.038  5.1577  24.779  3.1070  -5.741365      6.021213 
1 1 1 13  -14 38 o 14.525  3.2525  30.937    13.325    41.554    24.216    26.326    15.958    15.941  5.0539  13.110  4.0954  2.830971       6.504915 
1 1 1 13  -14 39 o 14.777  3.3545  33.688    14.357    45.265    25.112    28.067    17.499    16.247  5.1462  13.308  4.3044  2.938922       6.708987 
1 1 1 13  -14 40 o 12.549  3.7093  15.374    20.217    2.7800    25.017    39.084    34.326    10.261  4.5558  14.837  5.8550  -4.576372      7.418649 
1 1 1 13  -14 41 f 14.780  3.4143  37.454    14.583    41.046    28.048    36.123    17.072    14.856  5.4211  14.705  4.1522  0.1511230      6.828516 
1 1 1 13  -14 42 o 10.177  3.0963  8.4241    13.892    14.835    26.282    5.9386    16.365    11.331  4.8534  9.0222  3.8461  2.309155       6.192569 
1 1 1 13  -14 43 o 18.710  3.6645  64.347    17.898    78.954    32.671    58.084    21.393    19.299  5.8292  18.120  4.4422  1.179033       7.328908 
1 1 1 13  -14 44 o 9.3961  2.9088  6.9253    14.348    -16.6893  28.379    15.035    16.630    8.7062  4.1821  10.086  4.0441  -1.379809      5.817600 
1 1 1 13  -14 45 o 17.941  3.6425  75.928    19.156    64.708    34.880    80.774    22.922    15.056  5.9146  20.826  4.2531  -5.769727      7.285003 
1 1 1 13  -13 0  o 244.801 4.6574  8088.81   305.381   8111.81   432.569   8065.96   431.182   245.148 6.5878  244.455 6.5853  0.6932373      9.314744 
1 1 1 13  -13 1  o 130.758 2.7835  2296.87   97.457    2242.49   138.322   2350.47   137.333   129.216 3.9966  132.301 3.8755  -3.085571      5.567018 
1 1 1 13  -13 2  o 158.031 3.1690  3356.46   134.136   3381.69   190.289   3331.55   189.111   158.622 4.4788  157.441 4.4845  1.180893       6.337997 
1 1 1 13  -13 3  o 63.696  1.8044  544.045   30.770    565.686   43.665    522.698   43.367    64.955  2.5097  62.436  2.5932  2.519211       3.608771 
1 1 1 13  -13 4  o 120.726 2.5907  1956.64   83.771    1948.03   118.690   1965.19   118.251   120.460 3.6786  120.992 3.6489  -0.5315552     5.181364 
1 1 1 13  -13 5  o 124.391 2.6590  2077.58   88.590    2057.20   125.262   2097.97   125.309   123.779 3.7782  125.003 3.7426  -1.223526      5.318060 
1 1 1 13  -13 6  o 80.371  1.9915  866.262   42.868    853.744   60.307    879.047   60.948    79.784  2.8220  80.958  2.8107  -1.174179      3.982928 
1 1 1 13  -13 7  o 153.934 3.0956  3185.39   127.618   3237.99   180.141   3132.40   180.818   155.216 4.3330  152.653 4.4223  2.563202       6.191244 
1 1 1 13  -13 8  o 251.377 4.7809  8539.29   321.851   8707.43   455.034   8370.96   455.298   253.876 6.6916  248.878 6.8300  4.998505       9.561747 
1 1 1 13  -13 9  o 35.625  1.6988  172.787   15.874    140.984   22.589    203.815   22.312    32.316  2.6326  38.934  2.1479  -6.617714      3.397664 
1 1 1 13  -13 10 o 165.479 3.3099  3684.18   146.702   3692.96   207.967   3675.48   206.973   165.674 4.6865  165.284 4.6751  0.3907166      6.619706 
1 1 1 13  -13 11 o 64.098  1.8375  551.738   31.506    531.652   45.161    570.784   43.976    62.957  2.6781  65.239  2.5166  -2.281868      3.675032 
1 1 1 13  -13 12 o 198.296 3.8713  5302.18   205.613   5334.83   291.782   5269.97   289.789   198.902 5.4768  197.690 5.4728  1.211884       7.742560 
1 1 1 13  -13 13 o 122.195 2.6136  2006.07   85.536    2020.14   121.909   1992.42   120.046   122.615 3.7120  121.774 3.6805  0.8406448      5.227293 
1 1 1 13  -13 14 o 73.709  1.9846  729.185   39.158    725.149   56.272    732.975   54.525    73.509  2.8580  73.910  2.7543  -0.4009933     3.969188 
1 1 1 13  -13 15 o 161.801 3.2971  3525.83   142.882   3587.09   202.950   3465.62   201.192   163.199 4.6428  160.404 4.6828  2.794937       6.594297 
1 1 1 13  -13 16 o 56.240  1.8867  425.033   28.365    412.877   41.068    436.123   39.225    55.466  2.7643  57.014  2.5685  -1.548191      3.773413 
1 1 1 13  -13 17 o 68.871  2.0112  636.528   37.079    641.068   53.409    632.304   51.518    69.105  2.8855  68.636  2.8023  0.4694366      4.022301 
1 1 1 13  -13 18 o 84.674  2.1660  962.626   49.061    1029.94   70.096    897.987   68.691    87.581  2.9881  81.767  3.1364  5.813232       4.331965 
1 1 1 13  -13 19 o 126.424 2.7616  2150.97   93.463    2241.98   132.574   2061.05   131.784   129.093 3.8341  123.754 3.9757  5.339661       5.523292 
1 1 1 13  -13 20 o 43.666  2.0002  256.862   23.242    274.058   33.384    240.689   32.377    45.094  2.7774  42.238  2.8790  2.856159       4.000335 
1 1 1 13  -13 21 o 84.051  2.2357  949.826   50.314    980.046   71.177    919.645   71.131    85.393  3.1119  82.710  3.2108  2.682755       4.471402 
1 1 1 13  -13 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -13 23 o 81.773  2.2476  900.636   49.187    938.636   69.336    862.139   69.787    83.521  3.0994  80.025  3.2558  3.495239       4.495175 
1 1 1 13  -13 24 o 61.475  2.1116  508.740   34.766    504.256   48.743    513.384   49.603    61.201  2.9735  61.750  2.9991  -0.5486679     4.223246 
1 1 1 13  -13 25 o 60.978  1.9837  495.882   32.074    594.529   47.972    416.136   43.132    66.456  2.6950  55.500  2.9116  10.95589       3.967449 
1 1 1 13  -13 26 o 81.949  2.2241  909.984   48.609    870.316   71.167    944.672   66.551    80.232  3.3117  83.666  2.9697  -3.434578      4.448168 
1 1 1 13  -13 27 o 12.935  2.6769  24.101    10.579    8.6288    17.658    32.763    13.212    10.608  4.1952  15.261  3.3261  -4.653347      5.353703 
1 1 1 13  -13 28 o 86.867  2.2612  1022.59   52.520    1051.53   76.982    997.403   71.834    87.990  3.2664  85.745  3.1278  2.244698       4.522431 
1 1 1 13  -13 29 o 22.775  2.3997  73.445    13.722    66.688    21.754    77.910    17.685    21.746  3.8768  23.804  2.8291  -2.057686      4.799366 
1 1 1 13  -13 30 o 10.282  2.6392  11.699    9.9385    -0.5207   16.710    18.388    12.363    8.9776  3.8582  11.586  3.6023  -2.607887      5.278465 
1 1 1 13  -13 31 o 29.844  2.2501  126.614   17.024    107.962   26.551    139.637   22.185    27.750  3.6615  31.937  2.6164  -4.186966      4.500232 
1 1 1 13  -13 32 o 32.078  5.3537  151.216   44.377    151.216   44.377    0.0000    0.0000    32.078  5.3537  ?       ?       ?              ?        
1 1 1 13  -13 33 o 9.2033  2.6607  5.3375    10.181    0.5532    17.422    7.8183    12.546    9.2262  3.9516  9.1803  3.5638  0.4594135E-01  5.321304 
1 1 1 13  -13 34 o 43.548  2.1179  260.608   24.252    278.784   37.822    247.916   31.605    44.737  3.1771  42.359  2.8014  2.377636       4.235753 
1 1 1 13  -13 35 o 19.441  2.6083  46.139    13.812    112.565   23.533    11.233    17.059    28.254  3.1639  10.628  4.1475  17.62590       5.216502 
1 1 1 13  -13 36 o 21.394  2.7732  62.133    14.818    94.467    25.250    45.148    18.300    25.423  3.8267  17.365  4.0148  8.058084       5.546370 
1 1 1 13  -13 37 o 13.025  3.1374  22.198    12.182    33.188    22.643    17.721    14.452    14.737  4.9035  11.313  3.9152  3.423332       6.274784 
1 1 1 13  -13 38 o 22.313  2.8721  69.594    15.853    102.905   27.837    53.607    19.285    25.940  4.1461  18.686  3.9755  7.254288       5.744101 
1 1 1 13  -13 39 o 25.746  2.9633  105.913   18.392    95.742    31.215    111.322   22.762    23.960  5.0245  27.532  3.1430  -3.572004      5.926519 
1 1 1 13  -13 40 o 15.048  5.3346  39.960    26.932    39.960    26.932    0.0000    0.0000    15.048  5.3346  ?       ?       ?              ?        
1 1 1 13  -13 41 o 12.204  3.1266  6.9589    14.291    54.541    26.365    -12.8401  17.007    17.185  5.2468  7.2228  3.4020  9.962036       6.253160 
1 1 1 13  -13 42 o 10.280  3.1171  9.9246    14.555    5.2275    27.284    11.793    17.208    10.548  4.7156  10.011  4.0777  0.5369701      6.234166 
1 1 1 13  -13 43 o 9.3531  2.9212  3.5261    14.742    -21.2552  28.484    12.592    17.228    8.7062  4.1842  10.000  4.0775  -1.293811      5.842390 
1 1 1 13  -13 44 o 7.6782  2.6096  -11.3295  12.866    -14.7214  27.674    -10.3942  14.532    8.7427  4.1810  6.6137  3.1240  2.128997       5.219251 
1 1 1 13  -13 45 f 14.485  3.7279  45.899    17.173    62.928    34.493    40.286    19.802    14.971  5.8816  13.999  4.5821  0.9719934      7.455782 
1 1 1 13  -12 0  o 66.147  1.8966  586.794   33.594    577.609   47.793    595.764   47.230    65.634  2.7186  66.660  2.6452  -1.025589      3.793156 
1 1 1 13  -12 1  o 176.964 3.5076  4210.40   166.249   4177.51   235.702   4242.97   234.527   176.272 4.9922  177.657 4.9286  -1.384399      7.015185 
1 1 1 13  -12 2  o 60.361  2.4529  489.147   39.392    443.659   54.315    539.626   57.216    57.391  3.5508  63.331  3.3853  -5.939640      4.905894 
1 1 1 13  -12 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -12 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -12 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -12 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -12 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -12 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -12 9  o 166.696 3.3253  3736.70   148.441   3838.02   210.576   3636.62   209.285   168.950 4.6533  164.443 4.7515  4.506668       6.650598 
1 1 1 13  -12 10 o 113.049 2.4622  1715.72   74.544    1708.36   106.225   1722.86   104.637   112.808 3.5156  113.291 3.4483  -0.4826355     4.924411 
1 1 1 13  -12 11 o 171.148 3.3690  3940.78   154.389   4079.09   219.474   3805.30   217.222   174.130 4.7057  168.165 4.8226  5.964188       6.737982 
1 1 1 13  -12 12 o 67.584  1.8771  611.912   33.957    642.397   48.933    583.597   47.160    69.207  2.6398  65.962  2.6692  3.244453       3.754106 
1 1 1 13  -12 13 o 106.308 2.4054  1517.53   68.480    1515.14   97.705    1519.84   96.008    106.223 3.4341  106.393 3.3690  -0.1702194     4.810752 
1 1 1 13  -12 14 o 126.655 2.7280  2156.15   92.535    2143.46   131.690   2168.53   130.055   126.283 3.8933  127.027 3.8224  -0.7444458     5.456100 
1 1 1 13  -12 15 o 49.325  1.8134  327.088   23.869    322.196   34.626    331.518   32.948    48.934  2.6517  49.715  2.4743  -0.7809601     3.626800 
1 1 1 13  -12 16 o 102.150 2.4126  1401.70   66.004    1404.08   94.080    1399.39   92.625    102.233 3.4357  102.067 3.3881  0.1663971      4.825263 
1 1 1 13  -12 17 o 128.934 2.7971  2235.86   96.585    2287.91   137.064   2184.52   136.123   130.429 3.9234  127.439 3.9879  2.989761       5.594275 
1 1 1 13  -12 18 o 37.474  2.0245  190.456   20.069    176.122   29.021    203.594   27.782    36.091  3.0302  38.858  2.6858  -2.767235      4.049097 
1 1 1 13  -12 19 o 119.667 2.6925  1926.33   86.285    1971.37   122.035   1881.30   122.018   121.073 3.7631  118.262 3.8520  2.810150       5.385076 
1 1 1 13  -12 20 o 90.737  2.3245  1106.90   56.463    1144.87   79.673    1068.58   80.031    92.307  3.2224  89.167  3.3509  3.140671       4.648971 
1 1 1 13  -12 21 o 99.845  2.4435  1340.52   65.345    1329.94   91.911    1351.34   92.921    99.447  3.4505  100.243 3.4608  -0.7956543     4.887049 
1 1 1 13  -12 22 o 62.514  2.1028  527.397   35.024    569.820   49.156    483.656   49.915    65.127  2.8179  59.900  3.1219  5.227329       4.205575 
1 1 1 13  -12 23 o 49.680  3.4695  333.951   45.878    0.0000    0.0000    333.951   45.878    ?       ?       49.680  3.4695  ?              ?        
1 1 1 13  -12 24 o 28.211  2.1382  105.722   15.692    130.479   24.403    88.267    20.491    30.997  2.9759  25.424  3.0712  5.572454       4.276463 
1 1 1 13  -12 25 o 39.498  2.0395  211.508   21.242    208.800   32.092    213.619   28.338    39.242  3.0778  39.754  2.6769  -0.5117645     4.079069 
1 1 1 13  -12 26 o 99.449  2.4258  1339.13   64.479    1304.04   93.526    1370.92   89.016    98.170  3.5569  100.728 3.2994  -2.558060      4.851507 
1 1 1 13  -12 27 o 58.563  2.0355  467.681   31.534    429.358   46.800    499.548   42.677    56.262  3.1178  60.864  2.6178  -4.602303      4.071070 
1 1 1 13  -12 28 o 49.211  1.9397  327.250   25.331    338.914   38.099    318.009   33.911    49.970  2.8584  48.451  2.6229  1.519161       3.879391 
1 1 1 13  -12 29 o 65.115  2.0835  577.299   36.112    557.616   53.613    593.643   48.857    64.041  3.1255  66.188  2.7559  -2.146889      4.166974 
1 1 1 13  -12 30 o 50.590  1.9920  346.086   26.723    374.113   40.585    324.636   35.505    52.361  2.9052  48.820  2.7261  3.540722       3.983979 
1 1 1 13  -12 31 o 37.228  2.1139  192.953   20.408    176.952   31.616    204.382   26.720    35.763  3.3391  38.693  2.5932  -2.929611      4.227846 
1 1 1 13  -12 32 o 32.716  5.4581  157.393   46.143    157.393   46.143    0.0000    0.0000    32.716  5.4581  ?       ?       ?              ?        
1 1 1 13  -12 33 o 46.627  2.0982  297.652   25.760    313.523   39.999    286.403   33.674    47.598  3.1553  45.656  2.7667  1.942261       4.196450 
1 1 1 13  -12 34 o 71.406  2.2480  707.442   42.609    698.888   64.446    714.086   56.794    70.853  3.3958  71.958  2.9467  -1.104851      4.496095 
1 1 1 13  -12 35 o 18.993  2.9605  54.384    14.195    49.402    23.727    57.162    17.715    18.045  4.8183  19.940  3.4412  -1.894753      5.920990 
1 1 1 13  -12 36 o 41.152  2.1794  232.114   23.428    273.284   37.687    206.184   29.909    43.967  3.2226  38.338  2.9349  5.629280       4.358786 
1 1 1 13  -12 37 o 38.877  2.3273  215.088   23.411    223.595   37.685    209.742   29.874    39.233  3.6273  38.522  2.9170  0.7103958      4.654666 
1 1 1 13  -12 38 o 15.023  3.2632  31.362    13.860    51.573    24.658    22.027    16.758    17.773  4.9802  12.273  4.2178  5.499352       6.526302 
1 1 1 13  -12 39 o 21.505  3.1949  81.512    16.950    54.790    29.567    94.592    20.686    17.610  5.5846  25.401  3.1051  -7.791235      6.389815 
1 1 1 13  -12 40 o 40.425  4.1444  258.002   44.240    258.002   44.240    0.0000    0.0000    40.425  4.1444  ?       ?       ?              ?        
1 1 1 13  -12 41 o 16.016  3.5219  43.269    15.724    54.362    28.628    38.477    18.816    16.951  5.5075  15.081  4.3913  1.870665       7.043876 
1 1 1 13  -12 42 o 7.2473  2.4567  -13.5342  11.665    -19.4837  23.823    -11.6581  13.378    8.1603  3.8961  6.3343  2.9937  1.826045       4.913403 
1 1 1 13  -12 43 o 11.699  3.2304  22.216    15.233    3.9784    29.381    28.921    17.815    10.508  4.7771  12.890  4.3497  -2.382087      6.460726 
1 1 1 13  -12 44 o 10.887  3.2557  7.1450    14.599    43.544    29.524    -4.6347   16.796    14.108  5.4699  7.6663  3.5324  6.441924       6.511306 
1 1 1 13  -11 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -11 1  o 139.969 2.8761  2629.49   107.826   2634.52   153.000   2624.52   151.985   140.102 4.0772  139.837 4.0578  0.2646332      5.752291 
1 1 1 13  -11 2  o 114.055 2.4719  1745.03   75.511    1733.87   107.118   1756.05   106.463   113.691 3.5176  114.418 3.4739  -0.7269897     4.943806 
1 1 1 13  -11 3  o 271.109 5.1265  9912.08   372.228   9750.08   526.682   10073.74  526.138   268.880 7.3131  273.339 7.1864  -4.459076      10.25306 
1 1 1 13  -11 4  o 65.636  1.8748  577.787   32.907    536.434   46.280    620.071   46.798    63.258  2.7314  68.014  2.5689  -4.756714      3.749636 
1 1 1 13  -11 5  o 104.782 2.3552  1472.58   66.097    1449.12   93.215    1496.31   93.737    103.942 3.3481  105.622 3.3133  -1.680450      4.710437 
1 1 1 13  -11 6  o 51.807  1.7120  360.003   23.739    371.336   33.331    348.337   33.818    52.636  2.3641  50.978  2.4767  1.658047       3.423908 
1 1 1 13  -11 7  o 197.748 3.8695  5260.95   204.903   5126.43   289.767   5395.49   289.788   195.208 5.5420  200.288 5.4018  -5.079742      7.739021 
1 1 1 13  -11 8  o 118.566 2.5497  1886.33   80.958    1935.04   115.070   1838.60   113.924   120.083 3.5776  117.049 3.6338  3.034309       5.099343 
1 1 1 13  -11 9  o 97.131  4.4061  1267.56   114.631   1267.56   114.631   0.0000    0.0000    97.131  4.4061  ?       ?       ?              ?        
1 1 1 13  -11 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -11 11 o 200.671 3.9270  5424.36   211.069   5444.12   299.437   5404.85   297.564   201.032 5.5610  200.309 5.5461  0.7232513      7.853920 
1 1 1 13  -11 12 o 153.368 3.1438  3162.63   129.143   3168.94   183.512   3156.44   181.771   153.518 4.4629  153.219 4.4292  0.2983093      6.287684 
1 1 1 13  -11 13 o 83.755  2.0869  940.541   46.795    982.046   67.100    901.240   65.294    85.554  2.9282  81.956  2.9744  3.597786       4.173889 
1 1 1 13  -11 14 o 309.082 5.8284  12993.45  482.342   13412.24  683.152   12577.15  681.121   314.119 8.1196  304.046 8.3637  10.07297       11.65670 
1 1 1 13  -11 15 o 38.652  1.7983  201.095   18.411    229.868   26.578    174.551   25.528    41.330  2.4113  35.973  2.6685  5.357666       3.596579 
1 1 1 13  -11 16 o 47.353  1.8273  301.423   23.076    314.393   33.172    289.261   32.122    48.343  2.5711  46.363  2.5972  1.980328       3.654524 
1 1 1 13  -11 17 o 97.729  2.3640  1282.91   61.882    1277.46   87.519    1288.36   87.510    97.521  3.3506  97.937  3.3360  -0.4165039     4.728099 
1 1 1 13  -11 18 o 76.308  2.1099  781.733   43.124    778.439   60.802    785.066   61.172    76.146  2.9811  76.470  2.9866  -0.3230896     4.219797 
1 1 1 13  -11 19 o 71.269  2.1105  681.792   40.281    666.374   56.482    697.749   57.463    70.448  2.9933  72.089  2.9760  -1.640465      4.220906 
1 1 1 13  -11 20 f 56.880  1.9697  440.723   29.531    380.706   43.318    492.834   40.364    53.154  3.0554  60.606  2.4865  -7.451267      3.939324 
1 1 1 13  -11 21 o 108.510 2.4619  1580.88   71.472    1691.47   103.091   1478.53   99.175    112.165 3.4314  104.855 3.5312  7.309715       4.923840 
1 1 1 13  -11 22 o 82.413  2.1509  910.655   47.425    962.125   69.038    864.667   65.258    84.613  3.0462  80.214  3.0374  4.399002       4.301765 
1 1 1 13  -11 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -11 24 o 124.281 2.7540  2085.43   91.619    2073.57   131.698   2096.55   127.539   123.920 3.9678  124.642 3.8202  -0.7219925     5.507970 
1 1 1 13  -11 25 o 91.332  2.2821  1120.88   55.715    1224.29   81.242    1029.07   76.553    95.304  3.1826  87.360  3.2716  7.943863       4.564270 
1 1 1 13  -11 26 f 46.349  1.9639  288.918   24.151    305.375   36.346    275.908   32.317    47.514  2.8694  45.184  2.6823  2.329788       3.927889 
1 1 1 13  -11 27 o 110.047 2.5949  1646.72   76.281    1579.05   110.523   1708.29   105.414   107.821 3.8270  112.273 3.5054  -4.452438      5.189783 
1 1 1 13  -11 28 o 24.194  2.3904  84.529    14.296    65.200    22.159    98.308    18.710    21.532  3.9890  26.855  2.6350  -5.322811      4.780767 
1 1 1 13  -11 29 o 19.489  2.5418  53.796    12.429    51.501    20.051    55.228    15.839    19.031  4.0574  19.946  3.0627  -0.9144306     5.083529 
1 1 1 13  -11 30 f 70.746  2.1323  678.868   40.240    709.542   60.178    654.059   54.119    72.148  3.1141  69.345  2.9137  2.802528       4.264630 
1 1 1 13  -11 31 o 60.196  2.0793  493.819   33.200    504.754   50.408    485.440   44.122    60.680  3.1119  59.713  2.7587  0.9674873      4.158625 
1 1 1 13  -11 32 o 64.784  4.9006  598.588   84.407    598.588   84.407    0.0000    0.0000    64.784  4.9006  ?       ?       ?              ?        
1 1 1 13  -11 33 o 22.587  2.5703  66.058    14.361    106.715   24.480    44.723    17.733    27.592  3.3832  17.582  3.8704  10.01017       5.140634 
1 1 1 13  -11 34 o 40.546  2.1496  224.372   22.820    249.509   36.217    207.822   29.387    42.322  3.2190  38.770  2.8499  3.551403       4.299296 
1 1 1 13  -11 35 o 26.441  2.5382  100.304   16.759    98.393    27.691    101.408   21.052    25.983  4.1160  26.899  2.9714  -0.9159775     5.076485 
1 1 1 13  -11 36 o 16.277  2.9417  43.554    13.587    20.312    23.004    56.006    16.838    12.846  4.8663  19.708  3.3068  -6.862259      5.883494 
1 1 1 13  -11 37 o 26.263  2.7993  103.806   18.121    96.664    29.919    107.944   22.773    25.072  4.6255  27.454  3.1542  -2.381508      5.598614 
1 1 1 13  -11 38 o 23.447  2.8710  76.637    16.646    112.243   29.233    59.553    20.249    27.142  4.1532  19.752  3.9651  7.389359       5.742059 
1 1 1 13  -11 39 o 10.835  3.1025  12.051    12.927    15.698    24.157    10.588    15.303    11.809  4.8232  9.8606  3.9036  1.948461       6.204932 
1 1 1 13  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -11 41 o 12.916  3.4041  23.119    14.151    40.138    28.050    17.309    16.390    14.868  5.4220  10.963  4.1176  3.905311       6.808287 
1 1 1 13  -11 42 f 24.523  3.5019  111.005   20.675    90.775    36.522    120.545   25.081    21.077  6.1125  27.969  3.4191  -6.892153      7.003732 
1 1 1 13  -11 43 o 19.488  3.7208  70.915    18.822    80.222    34.490    66.967    22.462    19.301  6.0192  19.674  4.3756  -0.3733120     7.441562 
1 1 1 13  -11 44 f 9.8397  3.0995  7.8420    14.759    9.0962    29.954    7.4399    16.960    10.623  4.8272  9.0560  3.8893  1.567431       6.199080 
1 1 1 13  -10 0  o 33.517  1.6155  151.232   14.413    155.142   20.463    147.382   20.306    33.951  2.2632  33.083  2.3059  0.8671646      3.230988 
1 1 1 13  -10 1  o 238.563 4.5514  7656.37   290.828   7688.75   411.847   7624.16   410.741   239.067 6.4317  238.059 6.4416  1.007996       9.102832 
1 1 1 13  -10 2  o 170.184 3.3640  3888.45   153.336   3862.44   217.231   3914.27   216.471   169.615 4.7815  170.754 4.7330  -1.138550      6.727902 
1 1 1 13  -10 3  o 204.869 3.9275  5639.98   215.508   5592.97   305.014   5686.83   304.535   204.013 5.5818  205.725 5.5267  -1.711456      7.854953 
1 1 1 13  -10 4  o 181.830 3.5822  4442.48   174.334   4243.92   246.445   4641.37   246.647   177.750 5.1763  185.910 4.9532  -8.160294      7.164378 
1 1 1 13  -10 5  o 106.025 2.3659  1507.52   67.165    1456.77   94.690    1558.90   95.285    104.227 3.3918  107.822 3.2994  -3.595528      4.731838 
1 1 1 13  -10 6  o 222.563 4.2821  6664.12   255.208   6837.88   361.171   6490.85   360.668   225.473 5.9804  219.653 6.1303  5.820007       8.564199 
1 1 1 13  -10 7  o 109.640 2.3947  1612.05   70.317    1647.70   100.015   1577.20   98.883    110.839 3.3689  108.440 3.4044  2.398819       4.789490 
1 1 1 13  -10 8  o 126.688 2.6905  2153.51   91.292    2175.69   130.007   2131.94   128.223   127.331 3.8119  126.045 3.7980  1.285774       5.381026 
1 1 1 13  -10 9  o 211.619 4.0452  6026.45   229.268   6136.44   325.206   5917.77   323.270   213.544 5.6857  209.693 5.7556  3.851608       8.090364 
1 1 1 13  -10 10 o 134.034 2.7794  2411.54   99.774    2459.95   142.047   2364.40   140.174   135.363 3.9178  132.706 3.9436  2.657043       5.558867 
1 1 1 13  -10 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -10 12 o 199.872 4.7548  5323.54   240.454   5615.67   419.839   5180.94   293.328   203.635 7.6974  196.109 5.5843  7.525497       9.509669 
1 1 1 13  -10 13 o 75.897  2.0415  772.743   41.494    773.850   59.257    771.678   58.122    75.950  2.9129  75.845  2.8610  0.1043701      4.082963 
1 1 1 13  -10 14 o 145.139 3.0311  2832.38   117.831   2865.57   166.903   2799.41   166.374   145.989 4.2683  144.289 4.3049  1.700073       6.062211 
1 1 1 13  -10 15 o 110.254 2.4870  1632.63   73.443    1637.06   103.839   1628.20   103.891   110.404 3.5114  110.104 3.5228  0.3000107      4.973943 
1 1 1 13  -10 16 o 108.560 2.4832  1583.06   72.201    1562.35   101.839   1603.99   102.379   107.845 3.5255  109.275 3.4979  -1.430313      4.966311 
1 1 1 13  -10 17 o 103.980 2.4560  1452.85   68.384    1480.43   96.282    1424.78   97.142    104.980 3.4241  102.979 3.5218  2.000847       4.911989 
1 1 1 13  -10 18 o 177.699 3.5335  4256.49   168.103   4439.62   239.608   4078.98   235.902   181.478 4.9293  173.919 5.0640  7.558411       7.067005 
1 1 1 13  -10 19 o 146.131 3.0477  2875.14   119.257   2856.72   170.331   2892.84   167.027   145.663 4.3657  146.600 4.2537  -0.9377289     6.095339 
1 1 1 13  -10 20 o 27.586  2.1729  102.100   14.947    149.776   22.740    65.835    19.833    33.311  2.5685  21.861  3.5055  11.44979       4.345724 
1 1 1 13  -10 21 o 75.097  2.0585  754.888   41.330    820.141   60.286    697.018   56.773    78.152  2.8800  72.043  2.9421  6.108849       4.117053 
1 1 1 13  -10 22 o 92.844  2.2961  1158.79   57.040    1158.95   82.552    1158.64   78.905    92.842  3.3197  92.846  3.1729  -0.3349304E-02 4.592105 
1 1 1 13  -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -10 24 o 92.260  2.3838  1154.91   58.470    1034.64   84.783    1264.00   80.744    87.606  3.6131  96.913  3.1106  -9.306976      4.767613 
1 1 1 13  -10 25 o 36.472  2.0331  177.380   18.978    249.946   28.821    121.825   25.217    43.045  2.5106  29.899  3.1985  13.14582       4.066149 
1 1 1 13  -10 26 o 50.594  1.9985  344.737   26.858    358.445   40.206    333.692   36.091    51.485  2.9277  49.703  2.7213  1.782001       3.997068 
1 1 1 13  -10 27 o 42.376  1.9658  241.296   22.017    258.504   33.711    228.496   29.074    43.667  2.8987  41.085  2.6563  2.582539       3.931686 
1 1 1 13  -10 28 o 34.074  2.0006  154.260   17.871    185.692   27.974    132.587   23.229    36.952  2.8483  31.196  2.8102  5.756535       4.001234 
1 1 1 13  -10 29 o 39.223  2.0389  210.298   20.951    205.737   32.319    213.604   27.515    38.792  3.1373  39.655  2.6050  -0.8636208     4.077834 
1 1 1 13  -10 30 o 7.8171  2.3799  -1.9324   8.5985    4.0445    14.857    -4.9427   10.544    9.1602  3.7666  6.4739  2.9101  2.686298       4.759818 
1 1 1 13  -10 31 o 58.587  2.0593  463.761   32.038    508.473   48.996    430.364   42.344    61.032  2.9972  56.141  2.8250  4.890511       4.118679 
1 1 1 13  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -10 33 o 10.371  2.6796  11.282    10.651    -4.8970   17.764    20.362    13.308    8.6658  3.8438  12.075  3.7346  -3.409513      5.359290 
1 1 1 13  -10 34 o 20.052  2.7877  56.980    14.028    63.895    23.261    53.028    17.586    20.875  4.3033  19.229  3.5450  1.645712       5.575443 
1 1 1 13  -10 35 o 46.502  2.2144  303.190   26.798    296.524   42.267    307.671   34.654    45.856  3.4669  47.148  2.7561  -1.292408      4.428876 
1 1 1 13  -10 36 o 21.990  3.0027  80.138    15.997    48.729    26.862    97.397    19.912    17.669  5.2742  26.312  2.8720  -8.643021      6.005445 
1 1 1 13  -10 37 o 25.704  2.7764  97.636    17.600    98.864    29.749    96.974    21.830    25.427  4.5344  25.981  3.2049  -0.5539513     5.552702 
1 1 1 13  -10 38 o 10.234  2.8956  10.747    11.763    1.6020    21.875    14.466    13.951    9.9704  4.3489  10.497  3.8244  -0.5266018     5.791296 
1 1 1 13  -10 39 o 12.903  3.2266  25.864    13.953    16.431    25.189    30.039    16.759    12.017  4.9186  13.788  4.1773  -1.770492      6.453102 
1 1 1 13  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -10 41 o 9.0240  2.8352  2.1614    12.500    -12.3383  26.937    6.1403    14.111    9.2922  4.3463  8.7559  3.6419  0.5362997      5.670451 
1 1 1 13  -10 42 o 9.1825  2.8351  3.5179    13.229    -20.7564  26.992    11.192    15.177    8.6741  4.1430  9.6909  3.8712  -1.016791      5.670124 
1 1 1 13  -10 43 o 32.795  2.9581  171.849   24.174    207.819   42.163    154.234   29.505    34.440  4.6928  31.150  3.6027  3.289324       5.916241 
1 1 1 13  -10 44 f 8.6078  2.8627  -11.0720  13.088    17.270    28.568    -18.6008  14.724    11.196  4.9243  6.0196  2.9209  5.176456       5.725420 
1 1 1 13  -9  0  o 242.182 4.6457  7886.17   301.346   7825.53   426.594   7946.58   425.744   241.249 6.6018  243.117 6.5380  -1.867950      9.291338 
1 1 1 13  -9  1  o 115.090 2.5029  1775.90   77.155    1778.93   109.391   1772.91   108.839   115.188 3.5456  114.993 3.5337  0.1946869      5.005791 
1 1 1 13  -9  2  o 253.959 4.7880  8673.12   325.670   8570.75   460.810   8775.27   460.324   252.456 6.8147  255.463 6.7274  -3.007782      9.575914 
1 1 1 13  -9  3  o 30.137  1.6061  122.311   12.816    108.515   17.820    137.094   18.446    28.359  2.3676  31.914  2.1708  -3.554771      3.212131 
1 1 1 13  -9  4  o 57.353  1.7530  440.821   26.907    418.026   37.842    464.130   38.267    55.853  2.5296  58.853  2.4275  -3.000839      3.505936 
1 1 1 13  -9  5  o 240.717 4.5735  7791.72   294.880   7790.10   417.323   7793.33   416.724   240.691 6.4733  240.743 6.4626  -0.5154419E-01 9.147027 
1 1 1 13  -9  6  o 183.659 3.6135  4529.73   177.753   4504.94   252.007   4554.28   250.759   183.156 5.1369  184.162 5.0836  -1.005447      7.227057 
1 1 1 13  -9  7  o 138.826 2.8771  2586.60   106.954   2535.45   152.003   2636.76   150.520   137.463 4.1284  140.190 4.0086  -2.727066      5.754289 
1 1 1 13  -9  8  o 136.310 2.8151  2492.94   102.742   2588.26   146.191   2399.91   144.424   138.888 3.9298  133.732 4.0319  5.155640       5.630224 
1 1 1 13  -9  9  o 72.576  1.9324  706.430   37.534    697.964   53.993    714.347   52.213    72.154  2.7938  72.999  2.6704  -0.8451691     3.864703 
1 1 1 13  -9  10 o 136.417 2.8808  2498.19   105.258   2516.23   149.704   2480.55   148.023   136.903 4.0826  135.930 4.0656  0.9727936      5.761642 
1 1 1 13  -9  11 o 148.612 3.0244  2966.39   120.384   2989.55   171.007   2943.63   169.501   149.187 4.2795  148.037 4.2748  1.149918       6.048780 
1 1 1 13  -9  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -9  13 o 160.845 3.2904  3479.58   141.735   3548.19   200.459   3411.00   200.429   162.437 4.6074  159.253 4.6988  3.184128       6.580740 
1 1 1 13  -9  14 o 65.250  1.9228  571.058   33.604    569.237   47.355    572.906   47.695    65.146  2.7139  65.355  2.7246  -0.2092438     3.845587 
1 1 1 13  -9  15 o 79.873  2.0742  856.624   44.323    842.802   63.973    869.385   61.466    79.249  3.0138  80.498  2.8508  -1.248642      4.148467 
1 1 1 13  -9  16 o 112.513 2.5141  1700.34   75.745    1704.98   108.459   1695.93   105.828   112.659 3.5943  112.367 3.5162  0.2919235      5.028159 
1 1 1 13  -9  17 o 127.446 2.7525  2184.70   93.904    2138.93   134.212   2228.59   131.432   126.127 3.9728  128.764 3.8108  -2.636848      5.505003 
1 1 1 13  -9  18 o 227.791 4.4109  7020.77   269.109   6991.06   382.186   7049.98   378.990   227.298 6.2775  228.284 6.1982  -0.9853516     8.821849 
1 1 1 13  -9  19 f 71.190  2.1410  691.468   40.079    566.964   57.908    805.942   55.527    64.880  3.3436  77.499  2.6749  -12.61893      4.281963 
1 1 1 13  -9  20 o 49.062  1.9194  321.733   24.824    398.326   36.643    256.766   33.747    54.487  2.5108  43.638  2.9039  10.84989       3.838798 
1 1 1 13  -9  21 o 111.071 2.5423  1659.05   75.579    1653.38   108.886   1664.31   104.991   110.879 3.6664  111.262 3.5230  -0.3838501     5.084663 
1 1 1 13  -9  22 o 79.924  2.1712  860.055   46.341    832.009   67.537    885.008   63.704    78.678  3.2048  81.170  2.9301  -2.491089      4.342364 
1 1 1 13  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -9  24 o 27.168  2.2132  103.746   15.202    85.102    23.334    117.497   20.039    24.875  3.6074  29.461  2.5650  -4.586576      4.426342 
1 1 1 13  -9  25 o 44.069  2.0971  270.015   23.879    215.942   35.670    313.932   32.146    39.878  3.3710  48.261  2.4953  -8.382801      4.194115 
1 1 1 13  -9  26 o 9.0769  2.6293  4.2019    9.8474    1.6668    16.832    5.5213    12.142    9.3935  3.9474  8.7603  3.4743  0.6331644      5.258573 
1 1 1 13  -9  27 o 85.286  2.2746  983.036   51.819    990.724   76.261    976.441   70.629    85.567  3.3274  85.005  3.1020  0.5618820      4.549108 
1 1 1 13  -9  28 o 65.184  2.0779  573.225   36.104    590.739   54.108    559.168   48.474    66.052  3.0583  64.317  2.8138  1.735413       4.155840 
1 1 1 13  -9  29 o 93.420  2.3974  1187.03   59.846    1210.89   88.081    1166.57   81.563    94.245  3.4893  92.596  3.2886  1.649277       4.794808 
1 1 1 13  -9  30 o 51.431  2.0263  358.517   27.588    376.397   42.101    345.063   36.521    52.507  3.0061  50.355  2.7178  2.151634       4.052506 
1 1 1 13  -9  31 o 30.393  2.3163  132.598   17.612    108.371   27.780    148.880   22.775    27.778  3.8361  33.008  2.5970  -5.229965      4.632532 
1 1 1 13  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -9  33 o 12.541  2.9802  20.984    11.455    20.276    19.668    21.348    14.093    12.718  4.5534  12.364  3.8463  0.3541222      5.960458 
1 1 1 13  -9  34 o 34.130  2.2388  162.096   19.753    164.075   31.520    160.815   25.348    34.157  3.4945  34.104  2.7997  0.5329132E-01  4.477666 
1 1 1 13  -9  35 f 12.990  2.8667  24.515    12.609    0.6934    21.537    36.939    15.554    10.103  4.3612  15.878  3.7220  -5.774950      5.733490 
1 1 1 13  -9  36 o 49.371  2.3342  349.372   29.757    323.656   47.027    366.545   38.429    47.467  3.7288  51.275  2.8088  -3.808002      4.668329 
1 1 1 13  -9  37 o 28.165  2.6995  114.832   18.979    123.849   32.163    110.015   23.508    28.660  4.3242  27.671  3.2328  0.9893894      5.399059 
1 1 1 13  -9  38 o 22.863  3.1720  87.169    17.551    65.494    30.126    98.305    21.595    19.695  5.4999  26.031  3.1621  -6.336542      6.344099 
1 1 1 13  -9  39 o 36.044  2.6086  195.272   23.662    195.376   39.440    195.213   29.575    35.429  4.2404  36.660  3.0393  -1.231731      5.217169 
1 1 1 13  -9  40 o 5.6217  2.7100  -16.4055  12.176    0.0000    0.0000    -16.4055  12.176    ?       ?       5.6217  2.7100  ?              ?        
1 1 1 13  -9  41 o 9.8651  2.9704  7.8615    13.248    -2.0151   25.287    11.598    15.554    9.8332  4.4552  9.8969  3.9299  -0.6371593E-01 5.940814 
1 1 1 13  -9  42 o 10.601  3.1787  11.311    14.027    12.274    28.542    11.005    16.106    11.411  4.9727  9.7912  3.9608  1.619944       6.357324 
1 1 1 13  -9  43 o 10.295  3.0332  12.324    14.355    -9.0184   28.050    19.898    16.710    9.4012  4.4093  11.188  4.1663  -1.786791      6.066329 
1 1 1 13  -9  44 o 20.536  3.7034  71.624    19.124    132.628   37.015    49.410    22.336    25.265  5.6154  15.807  4.8299  9.458624       7.406810 
1 1 1 13  -8  0  o 408.251 7.6227  22517.00  833.541   22587.86  1179.36   22446.28  1178.25   408.897 10.768  407.606 10.792  1.291351       15.24550 
1 1 1 13  -8  1  f 162.546 3.2477  3543.98   141.396   3552.06   200.161   3535.94   199.768   162.731 4.5922  162.361 4.5936  0.3697205      6.495347 
1 1 1 13  -8  2  o 394.303 7.2916  20987.12  770.085   20874.65  1089.15   21099.56  1088.98   393.238 10.341  395.369 10.283  -2.130157      14.58324 
1 1 1 13  -8  3  o 285.372 5.3358  10957.32  407.644   10552.62  576.407   11362.26  576.585   280.076 7.6836  290.668 7.4059  -10.59195      10.67168 
1 1 1 13  -8  4  o 42.536  1.6585  243.352   18.806    235.794   26.863    250.618   26.337    41.881  2.4047  43.190  2.2848  -1.308197      3.317098 
1 1 1 13  -8  5  o 47.788  1.6671  306.476   21.288    303.383   30.561    309.392   29.672    47.523  2.4088  48.054  2.3053  -0.5309830     3.334136 
1 1 1 13  -8  6  o 115.459 2.5264  1787.47   78.124    1780.02   111.123   1794.74   109.855   115.220 3.6007  115.698 3.5449  -0.4774780     5.052849 
1 1 1 13  -8  7  o 395.004 7.3365  21117.29  776.201   21232.86  1098.57   21002.08  1096.86   396.091 10.355  393.916 10.396  2.174774       14.67296 
1 1 1 13  -8  8  o 87.198  2.1568  1020.12   50.334    991.877   71.966    1047.16   70.424    86.014  3.1237  88.383  2.9748  -2.368919      4.313608 
1 1 1 13  -8  9  o 125.904 2.6514  2126.33   89.368    2219.58   127.246   2035.56   125.541   128.631 3.6933  123.177 3.8051  5.453896       5.302745 
1 1 1 13  -8  10 o 102.423 2.3381  1406.85   64.119    1461.01   91.258    1354.06   90.110    104.371 3.2644  100.475 3.3483  3.896461       4.676260 
1 1 1 13  -8  11 o 116.821 2.5856  1831.40   80.906    1834.21   114.472   1828.58   114.364   116.911 3.6556  116.731 3.6578  0.1797333      5.171296 
1 1 1 13  -8  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -8  13 o 80.832  2.5661  875.557   51.327    885.881   92.186    870.919   61.791    81.084  4.2596  80.580  2.8629  0.5037231      5.132254 
1 1 1 13  -8  14 o 102.539 2.4123  1419.69   65.817    1250.67   94.065    1581.80   92.124    96.508  3.6389  108.570 3.1679  -12.06144      4.824695 
1 1 1 13  -8  15 o 121.955 2.6398  1997.36   86.097    2151.46   123.126   1849.92   120.437   126.566 3.6320  117.343 3.8319  9.223152       5.279642 
1 1 1 13  -8  16 o 133.154 2.8311  2382.92   100.957   2404.12   144.179   2362.51   141.412   133.732 4.0251  132.575 3.9823  1.157104       5.662183 
1 1 1 13  -8  17 o 100.241 2.3853  1352.81   63.883    1273.68   91.700    1427.42   89.046    97.374  3.5159  103.108 3.2243  -5.734131      4.770500 
1 1 1 13  -8  18 o 179.392 3.5869  4337.81   172.335   4404.90   245.576   4272.71   241.904   180.759 5.0722  178.026 5.0731  2.733047       7.173798 
1 1 1 13  -8  19 o 73.240  2.1406  727.615   41.554    632.230   60.325    813.744   57.323    68.609  3.2827  77.871  2.7483  -9.261902      4.281251 
1 1 1 13  -8  20 o 100.491 2.4320  1360.94   65.264    1282.34   94.147    1433.65   90.553    97.674  3.5986  103.309 3.2725  -5.634529      4.864085 
1 1 1 13  -8  21 o 73.487  2.1599  733.118   42.056    639.461   61.283    816.489   57.820    68.984  3.3167  77.990  2.7679  -9.005821      4.319898 
1 1 1 13  -8  22 o 86.018  2.2071  990.983   50.762    1071.71   74.117    919.663   69.667    89.308  3.0984  82.727  3.1440  6.581314       4.414195 
1 1 1 13  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -8  24 o 153.138 3.2804  3179.44   134.316   3029.71   192.503   3321.49   187.499   149.560 4.8054  156.717 4.4668  -7.156189      6.560819 
1 1 1 13  -8  25 o 67.632  2.0838  612.883   37.634    652.948   55.943    579.761   50.865    69.635  2.9993  65.629  2.8936  4.006233       4.167579 
1 1 1 13  -8  26 o 51.722  2.0050  358.477   27.522    390.380   41.635    333.717   36.679    53.743  2.9031  49.700  2.7663  4.043476       4.010004 
1 1 1 13  -8  27 f 82.098  2.2712  915.158   49.669    868.773   73.035    955.070   67.749    80.106  3.4039  84.090  3.0079  -3.983910      4.542474 
1 1 1 13  -8  28 o 37.262  2.0330  187.737   19.886    195.875   30.881    181.972   25.993    37.912  3.0673  36.612  2.6690  1.300472       4.065921 
1 1 1 13  -8  29 o 41.324  2.1245  238.763   22.611    203.638   34.922    264.115   29.669    38.517  3.4206  44.131  2.5205  -5.613876      4.248902 
1 1 1 13  -8  30 o 69.793  2.1199  654.449   39.352    769.531   59.373    564.285   52.554    75.213  2.9472  64.372  3.0480  10.84136       4.239866 
1 1 1 13  -8  31 o 15.978  2.7755  33.518    11.808    53.298    19.483    22.033    14.846    19.317  3.8998  12.638  3.9504  6.678922       5.551057 
1 1 1 13  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -8  33 o 14.850  3.0426  31.487    12.339    32.038    21.361    31.211    15.115    15.005  4.7456  14.694  3.8090  0.3112020      6.085127 
1 1 1 13  -8  34 o 20.347  2.9379  61.428    14.943    56.418    24.758    64.300    18.742    19.428  4.7885  21.266  3.4052  -1.838787      5.875825 
1 1 1 13  -8  35 o 25.206  2.5886  88.274    16.307    102.055   27.839    81.075    20.121    26.494  4.0517  23.918  3.2227  2.575693       5.177113 
1 1 1 13  -8  36 o 8.5771  2.6212  -0.2245   10.282    4.3221    18.379    -2.2957   12.405    9.7929  4.1206  7.3612  3.2411  2.431748       5.242483 
1 1 1 13  -8  37 o 34.419  2.5335  171.222   22.077    175.557   36.713    168.766   27.631    34.380  4.0655  34.458  3.0243  -0.7858276E-01 5.067084 
1 1 1 13  -8  38 o 7.6862  2.4113  -6.4001   10.943    -38.7588  20.682    6.1803    12.896    6.6548  3.2773  8.7175  3.5379  -2.062787      4.822575 
1 1 1 13  -8  39 o 23.429  3.3156  97.796    18.963    64.037    32.350    115.469   23.406    18.819  5.8231  28.038  3.1724  -9.219229      6.631166 
1 1 1 13  -8  40 o 21.264  3.3923  79.452    18.106    65.650    31.802    86.072    22.025    18.783  5.7672  23.745  3.5737  -4.962828      6.784670 
1 1 1 13  -8  41 o 11.772  3.3215  15.761    14.379    31.326    27.420    9.8564    16.888    13.719  5.2846  9.8253  4.0251  3.893654       6.642908 
1 1 1 13  -8  42 o 8.1556  2.7337  -12.6894  12.694    -0.7407   26.930    -16.1030  14.394    10.057  4.5726  6.2543  2.9974  3.802692       5.467435 
1 1 1 13  -8  43 o 18.165  3.6587  53.448    17.560    98.739    33.552    36.363    20.607    22.244  5.6272  14.085  4.6774  8.159093       7.317348 
1 1 1 13  -8  44 o 12.274  3.4834  28.818    16.747    26.625    33.137    29.570    19.408    12.062  5.3043  12.486  4.5166  -0.4246998     6.966727 
1 1 1 13  -7  0  o 339.109 6.3168  15479.36  573.739   15635.27  811.885   15323.83  810.896   340.823 8.8936  337.396 8.9730  3.426697       12.63368 
1 1 1 13  -7  1  o 87.271  2.0588  1020.62   48.122    1034.14   68.004    1007.06   68.106    87.850  2.8900  86.692  2.9330  1.158310       4.117630 
1 1 1 13  -7  2  o 170.081 3.3307  3879.68   151.729   3848.44   214.596   3910.90   214.557   169.395 4.7297  170.766 4.6909  -1.371048      6.661374 
1 1 1 13  -7  3  o 42.739  1.6594  245.726   18.895    239.659   27.265    251.333   26.209    42.225  2.4208  43.254  2.2702  -1.028671      3.318754 
1 1 1 13  -7  4  o 151.678 3.1169  3085.53   126.617   3061.33   179.915   3109.27   178.225   151.087 4.4458  152.269 4.3699  -1.181732      6.233844 
1 1 1 13  -7  5  o 363.218 6.7582  17788.18  657.477   17696.61  930.263   17879.56  929.364   362.277 9.5869  364.159 9.5281  -1.882874      13.51637 
1 1 1 13  -7  6  o 121.725 2.6142  1986.70   85.224    1973.08   121.138   2000.06   119.922   121.311 3.7281  122.140 3.6657  -0.8288803     5.228397 
1 1 1 13  -7  7  o 419.862 7.9363  23873.65  892.506   23856.00  1262.84   23891.28  1261.55   419.703 11.234  420.022 11.214  -0.3185730     15.87251 
1 1 1 13  -7  8  o 173.715 4.1737  4060.21   184.361   4070.67   227.620   4040.26   314.339   174.136 4.8802  173.294 6.7721  0.8416138      8.347317 
1 1 1 13  -7  9  o 295.229 5.5602  11757.01  439.586   11531.75  623.458   11979.71  619.895   292.390 7.9608  298.067 7.7645  -5.676819      11.12033 
1 1 1 13  -7  10 o 291.299 5.5035  11452.86  429.395   11437.64  608.833   11467.92  605.690   291.099 7.8085  291.499 7.7576  -0.3998718     11.00694 
1 1 1 13  -7  11 o 257.435 4.9356  8939.73   340.261   8773.73   482.343   9104.18   480.068   255.035 7.0610  259.836 6.8979  -4.800919      9.871110 
1 1 1 13  -7  12 o 176.986 4.3318  4204.49   194.035   4171.64   237.794   4269.92   335.655   176.129 5.0406  177.843 7.0464  -1.714417      8.663671 
1 1 1 13  -7  13 o 136.349 4.0560  2503.45   148.066   2541.23   213.083   2468.17   205.895   137.336 5.7926  135.363 5.6788  1.972504       8.111921 
1 1 1 13  -7  14 o 121.257 2.6573  1974.68   86.286    1969.55   123.272   1979.61   120.820   121.099 3.8005  121.415 3.7151  -0.3164902     5.314679 
1 1 1 13  -7  15 o 181.583 3.5892  4440.65   174.350   4733.73   248.265   4155.45   244.905   187.521 4.9428  175.645 5.2056  11.87636       7.178441 
1 1 1 13  -7  16 o 89.184  2.2535  1072.79   53.571    977.281   77.076    1162.03   74.510    85.314  3.3730  93.055  2.9894  -7.741066      4.507055 
1 1 1 13  -7  17 o 102.299 2.4019  1405.92   65.763    1392.01   94.605    1418.92   91.481    101.803 3.4695  102.795 3.3225  -0.9918900     4.803799 
1 1 1 13  -7  18 o 79.630  2.1355  853.026   45.428    819.115   65.848    883.823   62.753    78.108  3.1474  81.151  2.8870  -3.042732      4.270983 
1 1 1 13  -7  19 o 42.460  1.9074  242.020   21.512    253.165   31.981    232.811   29.071    43.347  2.7690  41.574  2.6241  1.772850       3.814892 
1 1 1 13  -7  20 o 43.821  2.0106  257.222   22.438    368.963   33.650    167.767   30.108    52.446  2.3954  35.196  3.2298  17.25076       4.021174 
1 1 1 13  -7  21 o 131.458 2.8600  2326.43   100.641   2308.74   144.567   2343.06   140.189   130.961 4.1213  131.956 3.9664  -0.9948883     5.719939 
1 1 1 13  -7  22 o 69.743  2.0857  654.022   38.841    644.633   56.996    662.164   53.073    69.267  3.0720  70.220  2.8218  -0.9532318     4.171313 
1 1 1 13  -7  23 o 99.132  4.6140  1327.41   122.512   0.0000    0.0000    1327.41   122.512   ?       ?       99.132  4.6140  ?              ?        
1 1 1 13  -7  24 o 54.150  2.0676  400.752   29.434    351.110   43.797    441.642   39.749    50.971  3.2247  57.330  2.5886  -6.359600      4.135103 
1 1 1 13  -7  25 o 96.533  2.4150  1256.36   62.327    1266.10   91.099    1247.79   85.460    96.865  3.5112  96.201  3.3166  0.6639709      4.829928 
1 1 1 13  -7  26 o 55.018  2.0067  405.086   29.307    445.833   44.407    373.645   39.008    57.442  2.8956  52.593  2.7790  4.849052       4.013336 
1 1 1 13  -7  27 o 41.511  2.0143  234.206   21.988    229.888   33.634    237.429   29.057    41.133  3.0750  41.890  2.6026  -0.7569313     4.028547 
1 1 1 13  -7  28 o 72.427  2.1312  702.877   41.122    805.218   61.743    621.296   55.127    77.122  2.9890  67.732  3.0387  9.390190       4.262331 
1 1 1 13  -7  29 o 18.870  2.6718  50.468    12.778    49.514    20.342    51.091    16.424    18.631  4.1792  19.108  3.3299  -0.4771442     5.343575 
1 1 1 13  -7  30 o 83.986  2.3093  958.338   51.745    1015.99   77.418    911.785   69.566    86.214  3.3526  81.758  3.1767  4.456497       4.618577 
1 1 1 13  -7  31 o 34.991  2.2249  171.517   20.070    154.115   31.123    183.906   26.260    33.304  3.5434  36.678  2.6918  -3.374195      4.449856 
1 1 1 13  -7  32 o 50.856  2.8539  382.875   33.299    315.554   62.261    409.845   39.408    46.877  5.0377  54.835  2.6831  -7.957779      5.707714 
1 1 1 13  -7  33 o 44.244  2.2047  274.548   25.195    252.516   39.713    289.390   32.594    42.541  3.5168  45.947  2.6599  -3.405407      4.409378 
1 1 1 13  -7  34 f 26.810  2.4276  94.771    16.423    131.902   27.973    75.240    20.288    30.584  3.4766  23.037  3.3892  7.546444       4.855267 
1 1 1 13  -7  35 o 23.123  2.6801  71.454    15.440    106.236   26.327    53.218    19.063    27.191  3.7117  19.055  3.8672  8.136522       5.360238 
1 1 1 13  -7  36 o 11.715  2.6335  17.443    12.026    -18.2849  21.111    34.607    14.632    8.1366  3.8191  15.293  3.6270  -7.156698      5.266948 
1 1 1 13  -7  37 o 16.205  3.3080  37.469    14.239    53.354    26.037    30.691    17.008    18.212  5.1227  14.198  4.1868  4.014057       6.615982 
1 1 1 13  -7  38 o 24.888  2.8467  90.342    17.400    107.851   30.651    82.016    21.136    26.234  4.5255  23.543  3.4546  2.691235       5.693347 
1 1 1 13  -7  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -7  40 o 13.491  3.3914  27.103    14.145    37.379    26.969    23.204    16.614    14.755  5.3262  12.228  4.1998  2.527201       6.782799 
1 1 1 13  -7  41 o 10.077  3.0385  8.3256    12.752    7.1441    26.732    8.6737    14.509    10.896  4.7785  9.2581  3.7543  1.637648       6.076910 
1 1 1 13  -7  42 o 12.342  3.3980  23.685    15.069    22.837    29.945    23.973    17.438    12.544  5.2679  12.140  4.2937  0.4036608      6.796050 
1 1 1 13  -7  43 o 12.029  3.3418  24.698    15.753    14.100    29.902    28.769    18.534    11.306  5.0023  12.751  4.4326  -1.444396      6.683666 
1 1 1 13  -6  0  o 213.931 4.0666  6140.79   232.997   6244.22   329.843   6037.78   329.174   215.732 5.7083  212.130 5.7934  3.601959       8.133131 
1 1 1 13  -6  1  o 157.616 3.1773  3330.96   134.127   3285.25   189.648   3376.70   189.720   156.533 4.5233  158.699 4.4632  -2.166275      6.354553 
1 1 1 13  -6  2  o 309.134 7.1624  12959.23  557.896   13132.34  684.370   12616.31  963.242   312.546 8.1750  305.722 11.763  6.823975       14.32481 
1 1 1 13  -6  3  o 86.170  2.6469  1015.53   57.551    1057.96   71.425    936.970   97.176    88.857  3.0010  83.483  4.3610  5.373672       5.293798 
1 1 1 13  -6  4  o 165.841 3.3431  3688.72   148.471   3781.84   210.412   3596.37   209.530   167.928 4.6780  163.754 4.7771  4.174347       6.686133 
1 1 1 13  -6  5  o 364.017 6.7742  17862.84  660.212   17299.85  935.205   18422.17  932.165   358.258 9.7459  369.776 9.4116  -11.51825      13.54848 
1 1 1 13  -6  6  o 178.805 3.5095  4292.96   167.947   4150.66   239.462   4430.72   235.610   175.878 5.0832  181.731 4.8403  -5.852951      7.019088 
1 1 1 13  -6  7  o 149.400 3.0125  2993.35   120.528   3012.92   172.407   2974.64   168.562   149.876 4.2947  148.924 4.2258  0.9514313      6.025085 
1 1 1 13  -6  8  o 325.449 6.0819  14286.70  529.868   14886.22  751.265   13693.27  747.443   332.286 8.4410  318.612 8.7584  13.67371       12.16389 
1 1 1 13  -6  9  o 228.758 4.4302  7038.08   271.439   7008.13   384.877   7067.73   382.877   228.269 6.2949  229.247 6.2354  -0.9777832     8.860349 
1 1 1 13  -6  10 o 167.619 3.3585  3777.94   150.326   4146.59   213.797   3417.47   211.410   175.736 4.5420  159.502 4.9485  16.23476       6.716943 
1 1 1 13  -6  11 o 204.355 4.0376  5626.44   220.601   5254.06   312.771   5995.06   311.189   197.584 5.9100  211.126 5.5029  -13.54225      8.075252 
1 1 1 13  -6  12 o 69.323  2.7977  647.318   51.726    656.941   73.142    637.691   73.162    69.843  3.9257  68.803  3.9871  1.040024       5.595379 
1 1 1 13  -6  13 o 43.937  2.3412  276.010   24.382    223.193   43.588    300.061   29.414    40.563  4.0667  47.312  2.3211  -6.748966      4.682494 
1 1 1 13  -6  14 o 94.995  2.3942  1228.44   59.876    983.481   85.659    1462.50   83.729    85.579  3.7369  104.410 2.9940  -18.83079      4.788375 
1 1 1 13  -6  15 o 60.002  1.9211  486.648   30.610    438.324   44.285    530.859   42.358    57.085  2.9059  62.918  2.5135  -5.832348      3.842111 
1 1 1 13  -6  16 o 154.452 3.2183  3212.34   133.030   3101.75   189.665   3319.44   186.638   151.816 4.6642  157.089 4.4357  -5.273605      6.436688 
1 1 1 13  -6  17 o 85.942  2.1817  989.248   50.145    1068.84   72.664    916.876   69.289    89.238  3.0401  82.645  3.1301  6.592438       4.363400 
1 1 1 13  -6  18 o 91.903  2.2665  1132.22   55.747    1188.63   80.724    1080.79   77.080    94.088  3.2031  89.718  3.2075  4.369766       4.533023 
1 1 1 13  -6  19 o 91.706  2.3203  1131.53   56.866    1091.33   82.307    1168.23   78.658    90.135  3.4092  93.277  3.1483  -3.142311      4.640580 
1 1 1 13  -6  20 o 273.942 5.3604  10219.18  392.865   9711.64   557.554   10719.66  553.657   267.058 7.7946  280.826 7.3606  -13.76831      10.72073 
1 1 1 13  -6  21 o 146.405 3.0735  2884.51   120.460   3017.95   173.018   2758.97   167.812   149.694 4.3152  143.115 4.3777  6.578690       6.146965 
1 1 1 13  -6  22 o 213.478 8.6486  6261.11   494.526   6261.11   494.526   0.0000    0.0000    213.478 8.6486  ?       ?       ?              ?        
1 1 1 13  -6  23 o 13.013  2.8805  22.686    11.041    20.626    17.697    23.999    14.129    12.824  4.3352  13.201  3.7941  -0.3772831     5.761047 
1 1 1 13  -6  24 o 101.726 2.4537  1390.27   66.759    1486.29   97.467    1305.41   91.625    105.026 3.4647  98.426  3.4755  6.599983       4.907500 
1 1 1 13  -6  25 o 80.584  2.2664  877.485   48.688    850.580   71.802    900.386   66.243    79.410  3.3758  81.759  3.0249  -2.349297      4.532776 
1 1 1 13  -6  26 o 59.858  2.0283  477.968   32.275    546.794   48.734    424.196   43.076    63.693  2.8566  56.024  2.8803  7.668301       4.056690 
1 1 1 13  -6  27 o 57.597  2.0300  444.184   31.094    490.267   47.091    408.562   41.402    60.249  2.9181  54.944  2.8228  5.304638       4.060002 
1 1 1 13  -6  28 o 67.320  2.1625  617.123   38.631    589.306   57.968    639.346   51.813    65.888  3.2847  68.751  2.8137  -2.863434      4.325013 
1 1 1 13  -6  29 o 54.453  2.0771  400.884   29.932    423.736   45.849    383.910   39.514    55.756  3.0821  53.149  2.7854  2.606346       4.154217 
1 1 1 13  -6  30 o 13.986  2.4714  30.182    11.203    -2.6295   18.572    48.952    14.047    9.2068  4.0117  18.765  2.8873  -9.558047      4.942714 
1 1 1 13  -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -6  32 o 41.946  2.1274  239.508   23.311    255.687   37.107    228.960   29.961    43.017  3.2444  40.874  2.7527  2.143776       4.254775 
1 1 1 13  -6  33 o 53.167  2.2627  396.246   31.265    362.993   48.804    419.392   40.717    50.986  3.5967  55.348  2.7465  -4.362041      4.525471 
1 1 1 13  -6  34 o 42.928  2.2267  255.635   24.792    261.253   39.820    252.078   31.681    43.134  3.4761  42.721  2.7839  0.4137955      4.453471 
1 1 1 13  -6  35 o 22.056  2.9890  75.062    16.060    61.855    27.276    82.070    19.869    20.044  5.0754  24.067  3.1585  -4.023018      5.977900 
1 1 1 13  -6  36 o 20.282  3.0885  58.202    15.463    76.573    27.582    49.782    18.673    22.302  4.7622  18.261  3.9339  4.040895       6.176923 
1 1 1 13  -6  37 o 20.283  3.1566  61.275    15.844    72.126    28.010    56.169    19.213    21.238  5.0058  19.327  3.8468  1.910795       6.313116 
1 1 1 13  -6  38 o 28.528  3.0313  132.482   20.141    104.408   34.546    146.939   24.791    25.070  5.3099  31.987  2.9260  -6.916689      6.062673 
1 1 1 13  -6  39 o 22.259  4.6328  80.609    26.722    0.0000    0.0000    80.609    26.722    ?       ?       22.259  4.6328  ?              ?        
1 1 1 13  -6  40 o 20.988  3.4599  68.330    17.904    95.352    32.926    56.987    21.333    23.285  5.3863  18.690  4.3440  4.595484       6.919742 
1 1 1 13  -6  41 o 14.450  3.5940  32.020    15.731    50.273    30.367    25.324    18.391    16.327  5.6740  12.573  4.4130  3.754148       7.188053 
1 1 1 13  -6  42 o 8.6965  2.8221  -2.4398   13.342    -12.3859  27.780    0.5422    15.211    9.2794  4.3637  8.1136  3.5799  1.165792       5.644199 
1 1 1 13  -6  43 o 11.744  3.4477  16.345    15.261    42.209    32.104    8.7949    17.346    14.102  5.6313  9.3872  3.9793  4.714488       6.895400 
1 1 1 13  -5  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -5  4  o 228.789 5.3049  6958.02   308.943   6797.23   379.529   7273.80   531.886   225.025 6.2969  232.553 8.5390  -7.527939      10.60970 
1 1 1 13  -5  5  o 289.420 5.4056  11262.82  418.933   11006.50  594.057   11516.40  590.878   286.129 7.7514  292.712 7.5365  -6.583435      10.81120 
1 1 1 13  -5  6  o 76.291  2.0260  792.916   40.633    633.437   58.495    941.632   56.486    68.749  3.1766  83.833  2.5156  -15.08363      4.052017 
1 1 1 13  -5  7  o 290.436 5.4807  11356.77  425.920   11982.11  603.676   10736.92  601.017   298.436 7.5520  282.436 7.9447  16.00031       10.96137 
1 1 1 13  -5  8  o 49.271  1.7232  326.720   22.623    303.003   32.390    349.314   31.613    47.483  2.5561  51.059  2.3116  -3.576271      3.446334 
1 1 1 13  -5  9  o 224.551 4.3421  6780.15   261.143   6715.89   370.182   6843.82   368.449   223.486 6.1841  225.617 6.0970  -2.131149      8.684271 
1 1 1 13  -5  10 o 232.700 4.4825  7287.53   279.378   7273.56   396.150   7301.35   394.059   232.474 6.3620  232.926 6.3162  -0.4519958     8.964914 
1 1 1 13  -5  11 o 110.922 2.4932  1649.91   74.019    1739.44   105.812   1564.11   103.581   113.870 3.4693  107.973 3.5816  5.897316       4.986330 
1 1 1 13  -5  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -5  13 o 233.648 4.5171  7364.26   282.668   7297.89   401.138   7429.72   398.382   232.589 6.4390  234.707 6.3370  -2.118149      9.034259 
1 1 1 13  -5  14 o 132.943 2.8470  2373.80   101.362   2405.35   144.859   2343.53   141.883   133.807 4.0418  132.079 4.0106  1.727676       5.693944 
1 1 1 13  -5  15 o 183.283 3.7244  4532.92   182.460   4231.92   259.451   4827.46   256.646   177.212 5.4660  189.355 5.0602  -12.14247      7.448723 
1 1 1 13  -5  16 o 204.721 3.9940  5652.21   218.888   5906.75   311.632   5404.35   307.517   209.292 5.5590  200.150 5.7362  9.142960       7.987937 
1 1 1 13  -5  17 o 111.068 2.5430  1656.60   75.622    1675.57   108.799   1638.88   105.183   111.679 3.6372  110.457 3.5552  1.221725       5.086083 
1 1 1 13  -5  18 o 99.480  2.4445  1335.17   64.846    1227.62   93.469    1434.96   90.038    95.584  3.6509  103.376 3.2518  -7.792068      4.889031 
1 1 1 13  -5  19 f 185.835 3.8249  4672.20   189.819   4305.69   270.447   5028.05   266.486   178.568 5.6544  193.101 5.1523  -14.53302      7.649748 
1 1 1 13  -5  20 o 211.586 4.1385  6050.64   234.454   6286.49   334.301   5822.35   328.901   215.665 5.7872  207.507 5.9176  8.157333       8.277044 
1 1 1 13  -5  21 o 87.113  2.2342  1014.71   51.767    1195.14   75.878    857.589   70.806    94.337  3.0029  79.888  3.3090  14.44854       4.468430 
1 1 1 13  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -5  23 o 102.476 2.4625  1409.37   67.484    1518.06   98.435    1312.99   92.697    106.196 3.4606  98.756  3.5044  7.439148       4.925089 
1 1 1 13  -5  24 f 155.751 3.2833  3286.04   136.894   3283.30   196.864   3288.61   190.487   155.658 4.7218  155.844 4.5634  -0.1859589     6.566554 
1 1 1 13  -5  25 o 47.364  2.0345  296.200   25.124    398.603   38.480    220.109   33.170    54.431  2.6394  40.297  3.0969  14.13427       4.068989 
1 1 1 13  -5  26 o 12.583  2.6074  17.366    9.7068    36.625    16.510    7.1916    12.000    16.120  3.8723  9.0460  3.4927  7.073542       5.214803 
1 1 1 13  -5  27 o 48.500  2.0726  323.879   26.276    285.532   39.842    353.395   34.955    45.806  3.2688  51.195  2.5491  -5.389126      4.145294 
1 1 1 13  -5  28 o 73.571  2.1869  729.631   42.908    780.232   64.436    689.320   57.513    75.825  3.1727  71.317  3.0108  4.507729       4.373895 
1 1 1 13  -5  29 o 85.981  2.3796  1010.06   54.494    989.959   81.002    1026.69   73.652    85.108  3.5533  86.853  3.1660  -1.744408      4.759171 
1 1 1 13  -5  30 o 38.498  2.0690  196.260   20.818    248.216   33.057    162.109   26.801    42.609  2.9140  34.387  2.9380  8.221729       4.138016 
1 1 1 13  -5  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -5  32 f 58.338  2.2696  476.389   34.462    427.390   53.297    511.594   45.176    55.465  3.6071  61.211  2.7554  -5.746502      4.539147 
1 1 1 13  -5  33 o 12.825  2.9582  17.332    11.507    38.071    20.792    8.1754    13.816    16.117  4.5933  9.5327  3.7290  6.583957       5.916380 
1 1 1 13  -5  34 o 28.247  2.4183  110.112   17.389    124.056   28.888    102.188   21.776    29.489  3.7417  27.006  3.0647  2.482601       4.836538 
1 1 1 13  -5  35 o 31.414  2.4454  140.175   19.406    141.959   32.223    139.160   24.308    31.303  3.9297  31.525  2.9117  -0.2216206     4.890855 
1 1 1 13  -5  36 o 30.236  2.5527  129.277   19.476    144.423   32.980    121.167   24.134    31.303  4.0268  29.169  3.1384  2.134373       5.105390 
1 1 1 13  -5  37 o 39.276  2.3472  211.328   23.736    274.365   39.916    176.845   29.522    43.477  3.4562  35.075  3.1769  8.401772       4.694475 
1 1 1 13  -5  38 o 18.066  5.4747  56.044    28.784    56.044    28.784    0.0000    0.0000    18.066  5.4747  ?       ?       ?              ?        
1 1 1 13  -5  39 o 17.213  3.4898  44.082    15.732    69.222    29.682    34.260    18.552    19.872  5.4246  14.555  4.3919  5.316990       6.979613 
1 1 1 13  -5  40 o 11.654  3.3753  14.624    15.041    23.827    29.613    11.424    17.461    13.078  5.3407  10.229  4.1289  2.848927       6.750610 
1 1 1 13  -5  41 o 22.555  3.6128  85.320    19.698    100.962   37.061    79.163    23.254    22.907  5.9772  22.202  4.0599  0.7044258      7.225632 
1 1 1 13  -5  42 o 21.419  3.6432  80.477    19.181    96.697    35.910    74.001    22.689    21.773  5.9761  21.066  4.1688  0.7076530      7.286458 
1 1 1 13  -5  43 o 19.564  3.6870  83.316    20.110    65.127    38.058    90.361    23.686    16.037  6.2122  23.091  3.9730  -7.054043      7.374060 
1 1 1 13  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -4  4  o 137.332 4.0296  2528.16   148.224   2528.16   148.224   0.0000    0.0000    137.332 4.0296  ?       ?       ?              ?        
1 1 1 13  -4  5  o 164.220 3.2948  3616.45   144.900   3707.62   205.718   3526.68   204.129   166.276 4.6191  162.164 4.6996  4.111740       6.589544 
1 1 1 13  -4  6  f 107.151 2.4192  1538.91   69.427    1536.47   98.669    1541.30   97.707    107.066 3.4406  107.236 3.4017  -0.1692886     4.838349 
1 1 1 13  -4  7  o 272.630 5.1750  9997.37   377.856   9845.74   535.039   10148.24  533.702   270.557 7.3831  274.703 7.2535  -4.145447      10.35001 
1 1 1 13  -4  8  o 121.792 2.6451  1988.69   86.268    2050.03   122.863   1929.04   121.157   123.646 3.7098  119.939 3.7714  3.706718       5.290182 
1 1 1 13  -4  9  o 126.548 2.7256  2147.66   92.374    2193.95   131.621   2102.74   129.674   127.892 3.8423  125.204 3.8668  2.687958       5.451152 
1 1 1 13  -4  10 f 243.318 4.7359  7982.43   308.137   7473.42   436.565   8487.76   434.981   235.533 6.9200  251.102 6.4674  -15.56892      9.471762 
1 1 1 13  -4  11 o 152.141 3.1298  3108.89   127.351   3334.55   181.557   2890.31   178.682   157.589 4.3013  146.694 4.5476  10.89464       6.259507 
1 1 1 13  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -4  13 o 182.399 3.6578  4477.86   178.652   4403.29   254.152   4550.70   251.179   180.885 5.2457  183.913 5.0990  -3.027603      7.315504 
1 1 1 13  -4  14 o 140.824 2.9801  2665.44   112.373   2645.18   160.525   2684.92   157.363   140.293 4.2719  141.356 4.1562  -1.063126      5.960125 
1 1 1 13  -4  15 o 104.879 2.4360  1475.44   68.402    1528.22   98.428    1426.14   95.127    106.691 3.4443  103.066 3.4459  3.624886       4.872083 
1 1 1 13  -4  16 o 46.464  1.8350  289.931   22.702    298.618   33.347    282.426   30.994    47.109  2.6536  45.820  2.5353  1.289242       3.670068 
1 1 1 13  -4  17 o 87.147  2.2071  1016.56   51.361    1134.73   74.638    910.284   70.785    91.949  3.0306  82.344  3.2094  9.604965       4.414121 
1 1 1 13  -4  18 o 63.559  2.0151  542.605   34.199    535.301   50.202    548.930   46.717    63.154  2.9678  63.963  2.7268  -0.8097076     4.030264 
1 1 1 13  -4  19 o 147.867 3.1378  2943.67   124.213   2922.00   178.160   2964.17   173.270   147.324 4.5149  148.410 4.3588  -1.085587      6.275632 
1 1 1 13  -4  20 o 175.093 3.5181  4131.65   164.823   4398.23   236.044   3877.98   230.253   180.625 4.8789  169.561 5.0698  11.06334       7.036114 
1 1 1 13  -4  21 o 49.052  1.9669  323.503   25.609    329.421   38.313    318.724   34.430    49.446  2.9056  48.659  2.6517  0.7872391      3.933739 
1 1 1 13  -4  22 o 73.014  3.9832  720.199   77.604    0.0000    0.0000    720.199   77.604    ?       ?       73.014  3.9832  ?              ?        
1 1 1 13  -4  23 o 197.643 3.9934  5308.94   211.299   5222.58   302.062   5391.70   295.685   196.016 5.7533  199.271 5.5398  -3.255371      7.986863 
1 1 1 13  -4  24 o 78.518  2.2763  835.211   47.524    782.139   70.193    880.130   64.577    76.169  3.4405  80.866  2.9814  -4.696968      4.552571 
1 1 1 13  -4  25 o 128.063 2.8599  2216.86   97.998    2336.33   142.433   2109.48   135.042   131.331 4.0491  124.795 4.0400  6.535492       5.719852 
1 1 1 13  -4  26 o 37.443  2.2329  201.467   20.825    143.490   31.876    244.637   27.506    32.324  3.7515  42.562  2.4228  -10.23781      4.465873 
1 1 1 13  -4  27 f 69.930  2.1304  655.184   39.708    733.225   59.795    593.621   53.109    73.615  3.0326  66.246  2.9931  7.368973       4.260885 
1 1 1 13  -4  28 o 67.655  2.1885  623.008   39.318    606.378   59.159    636.166   52.622    66.780  3.3074  68.529  2.8668  -1.749031      4.376947 
1 1 1 13  -4  29 o 82.658  2.3866  936.967   52.412    894.254   78.177    971.838   70.638    80.826  3.6111  84.490  3.1213  -3.664772      4.773152 
1 1 1 13  -4  30 f 13.502  4.6509  23.582    20.382    23.582    20.382    0.0000    0.0000    13.502  4.6509  ?       ?       ?              ?        
1 1 1 13  -4  31 o 15.041  2.7032  35.787    12.280    6.9650    20.584    51.715    15.302    10.862  4.4461  19.220  3.0760  -8.358015      5.406484 
1 1 1 13  -4  32 o 47.500  2.2329  313.896   27.549    299.355   43.406    323.705   35.650    46.398  3.5189  48.603  2.7497  -2.204880      4.465863 
1 1 1 13  -4  33 o 35.348  2.3014  168.929   21.089    200.737   34.387    149.753   26.700    37.877  3.4266  32.819  3.0731  5.057674       4.602763 
1 1 1 13  -4  34 o 13.703  3.1022  27.595    12.864    18.060    22.926    31.976    15.540    12.645  4.8417  14.760  3.8797  -2.115730      6.204354 
1 1 1 13  -4  35 o 14.339  3.0168  32.548    13.754    7.3256    24.538    44.103    16.609    11.365  4.7705  17.314  3.6940  -5.948727      6.033501 
1 1 1 13  -4  36 o 12.914  3.2199  21.939    12.898    28.837    23.871    19.095    15.327    14.115  5.0202  11.712  4.0333  2.402405       6.439733 
1 1 1 13  -4  37 o 20.044  3.3367  63.200    16.844    66.079    29.393    61.792    20.553    19.925  5.3811  20.163  3.9470  -0.2380772     6.673468 
1 1 1 13  -4  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -4  39 o 9.9145  2.9347  7.1373    13.439    -11.5514  24.825    14.885    15.984    9.1559  4.2452  10.673  4.0532  -1.517266      5.869469 
1 1 1 13  -4  40 o 23.968  3.5203  101.700   20.311    85.251    36.627    109.005   24.408    21.094  6.1224  26.842  3.4765  -5.748489      7.040558 
1 1 1 13  -4  41 f 25.153  3.6004  116.957   21.447    95.441    39.146    126.186   25.637    21.548  6.3511  28.758  3.3936  -7.210703      7.200872 
1 1 1 13  -4  42 o 14.336  3.6425  29.805    16.258    66.919    32.395    17.310    18.796    17.763  5.8629  10.910  4.3239  6.853724       7.284917 
1 1 1 13  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -3  4  o 151.729 3.1086  3086.30   126.322   3151.38   179.475   3022.42   177.831   153.315 4.3705  150.143 4.4219  3.171768       6.217270 
1 1 1 13  -3  5  o 98.018  2.2894  1287.32   60.043    1368.34   85.699    1209.20   84.150    101.049 3.1663  94.988  3.3075  6.060265       4.578756 
1 1 1 13  -3  6  o 122.851 2.6531  2023.91   87.135    2189.03   124.217   1863.95   122.260   127.789 3.6291  117.912 3.8711  9.877197       5.306235 
1 1 1 13  -3  7  o 151.822 3.1284  3093.40   127.151   3001.93   180.715   3183.09   178.936   149.593 4.5102  154.051 4.3366  -4.457336      6.256781 
1 1 1 13  -3  8  o 81.519  2.0841  889.893   45.471    941.329   65.291    841.451   63.362    83.805  2.9087  79.233  2.9856  4.572258       4.168287 
1 1 1 13  -3  9  o 17.912  1.9901  47.846    8.5447    25.045    12.508    67.794    11.700    13.415  3.4589  22.408  1.9693  -8.992802      3.980226 
1 1 1 13  -3  10 o 153.195 3.2738  3174.26   133.075   2693.51   189.155   3645.39   187.253   141.594 4.9875  164.796 4.2422  -23.20195      6.547648 
1 1 1 13  -3  11 o 101.204 3.4156  1376.97   92.542    1347.50   132.020   1405.44   129.757   100.133 4.9224  102.276 4.7366  -2.143623      6.831179 
1 1 1 13  -3  12 o 344.722 6.5243  16136.36  602.379   16016.17  853.541   16255.63  850.253   343.416 9.2793  346.027 9.1738  -2.611877      13.04851 
1 1 1 13  -3  13 o 253.326 4.9450  8683.99   334.819   8065.39   474.793   9295.93   472.230   244.252 7.2573  262.400 6.7189  -18.14740      9.890038 
1 1 1 13  -3  14 o 87.638  2.2143  1030.51   51.936    1031.91   74.999    1029.22   71.991    87.692  3.1931  87.585  3.0687  0.1073990      4.428636 
1 1 1 13  -3  15 o 113.781 2.5710  1736.45   78.283    1843.06   112.734   1637.17   108.790   117.153 3.5926  110.408 3.6787  6.744659       5.141995 
1 1 1 13  -3  16 o 192.377 3.8082  4987.28   196.080   5256.21   279.783   4727.69   274.879   197.494 5.2891  187.259 5.4804  10.23517       7.616338 
1 1 1 13  -3  17 o 101.864 2.4140  1390.31   65.747    1512.67   95.284    1279.11   90.837    106.138 3.3517  97.591  3.4751  8.546730       4.828008 
1 1 1 13  -3  18 o 102.179 2.5144  1408.66   68.512    1305.76   99.118    1502.80   94.806    98.572  3.7541  105.786 3.3460  -7.213287      5.028803 
1 1 1 13  -3  19 o 39.611  2.0021  215.241   20.706    185.674   30.902    239.334   27.895    37.055  3.1431  42.168  2.4807  -5.112438      4.004146 
1 1 1 13  -3  20 f 125.392 2.8508  2124.53   95.330    1954.43   137.333   2282.71   132.433   120.494 4.2552  130.290 3.7949  -9.795074      5.701571 
1 1 1 13  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -3  22 o 100.180 2.4614  1349.26   65.947    1370.42   96.248    1330.54   90.540    100.909 3.5610  99.451  3.3989  1.457489       4.922773 
1 1 1 13  -3  23 o 132.429 2.9134  2364.46   103.262   2465.67   149.550   2272.24   142.755   135.130 4.1319  129.727 4.1084  5.402512       5.826758 
1 1 1 13  -3  24 o 217.306 4.3074  6461.15   250.555   6786.15   358.530   6150.91   350.290   222.707 6.0104  211.905 6.1716  10.80157       8.614717 
1 1 1 13  -3  25 o 60.007  2.0875  484.296   33.274    500.867   50.328    471.427   44.351    60.859  3.0977  59.156  2.7990  1.702095       4.174939 
1 1 1 13  -3  26 o 51.055  2.0731  355.293   27.855    337.996   42.378    368.450   36.960    49.898  3.1875  52.211  2.6516  -2.313400      4.146195 
1 1 1 13  -3  27 o 28.228  2.2075  109.310   16.066    108.848   25.332    109.620   20.780    28.110  3.4361  28.347  2.7723  -0.2377262     4.414994 
1 1 1 13  -3  28 o 91.153  2.4533  1132.83   59.625    1131.17   88.578    1134.20   80.628    91.015  3.6335  91.292  3.2973  -0.2772064     4.906609 
1 1 1 13  -3  29 o 54.963  2.1793  416.604   31.405    385.137   48.083    440.015   41.474    52.980  3.4064  56.947  2.7190  -3.966751      4.358521 
1 1 1 13  -3  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -3  31 o 23.878  2.5869  81.832    15.313    74.835    24.995    86.037    19.374    22.832  4.2435  24.925  2.9599  -2.093285      5.173794 
1 1 1 13  -3  32 o 44.264  2.2352  270.536   25.733    273.068   40.946    268.884   33.082    44.289  3.4797  44.240  2.8064  0.4859543E-01  4.470322 
1 1 1 13  -3  33 o 36.852  2.3678  193.177   22.068    178.223   36.053    202.137   27.907    35.424  3.8624  38.279  2.7400  -2.854931      4.735517 
1 1 1 13  -3  34 o 12.542  2.9748  22.364    12.223    8.0670    21.880    28.849    14.736    11.058  4.5617  14.026  3.8195  -2.967985      5.949630 
1 1 1 13  -3  35 o 9.1033  2.8011  -0.6317   11.451    5.1722    21.936    -2.8059   13.426    10.609  4.4847  7.5978  3.3572  3.011027       5.602120 
1 1 1 13  -3  36 o 31.866  2.7547  151.643   21.569    143.408   36.478    156.069   26.745    30.628  4.5878  33.104  3.0506  -2.476112      5.509433 
1 1 1 13  -3  37 o 12.319  4.9684  17.217    25.262    17.217    25.262    0.0000    0.0000    12.319  4.9684  ?       ?       ?              ?        
1 1 1 13  -3  38 o 31.535  2.7918  145.134   22.032    174.605   38.304    130.563   26.933    33.410  4.3864  29.660  3.4550  3.749535       5.583630 
1 1 1 13  -3  39 o 14.437  3.4639  28.930    15.145    52.521    27.815    18.989    18.056    17.270  5.4087  11.604  4.3290  5.665303       6.927832 
1 1 1 13  -3  40 o 12.256  3.2931  22.597    14.894    11.308    27.837    27.124    17.629    11.520  4.9655  12.993  4.3268  -1.473064      6.586136 
1 1 1 13  -3  41 o 7.8805  2.6270  -12.6400  14.017    -43.4563  28.382    -2.6984   16.121    7.7904  3.8370  7.9706  3.5891  -0.1802187     5.253989 
1 1 1 13  -3  42 o 23.214  3.6018  90.780    20.147    132.350   38.217    74.780    23.710    25.761  5.6904  20.666  4.4172  5.094917       7.203667 
1 1 1 13  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -2  3  o 24.273  2.0232  83.927    11.682    70.105    20.384    90.687    14.256    22.610  3.4772  25.937  2.0693  -3.326666      4.046368 
1 1 1 13  -2  4  o 136.304 2.8643  2490.62   104.569   2511.55   147.732   2469.61   148.035   136.878 4.0295  135.729 4.0719  1.149124       5.728657 
1 1 1 13  -2  5  o 183.471 3.6830  4516.18   180.987   4535.91   255.782   4496.39   256.127   183.874 5.1935  183.069 5.2234  0.8047638      7.365901 
1 1 1 13  -2  6  o 296.818 5.5826  11853.59  443.825   11823.06  627.287   11884.18  628.041   296.435 7.9004  297.202 7.8895  -0.7670898     11.16511 
1 1 1 13  -2  7  o 91.408  2.1662  1119.81   53.031    1095.74   74.656    1144.32   75.344    90.417  3.0827  92.400  3.0443  -1.983513      4.332488 
1 1 1 13  -2  8  o 151.408 3.0739  3075.87   124.658   3066.73   175.949   3085.08   176.639   151.182 4.3451  151.633 4.3491  -0.4511414     6.147730 
1 1 1 13  -2  9  o 117.165 2.5750  1841.24   80.808    1825.96   113.922   1856.72   114.640   116.676 3.6453  117.655 3.6378  -0.9790421     5.149949 
1 1 1 13  -2  10 o 131.941 2.7831  2337.03   98.314    2405.85   138.732   2267.60   139.344   133.898 3.8682  129.984 4.0023  3.913208       5.566110 
1 1 1 13  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -2  12 o 19.508  1.7328  51.843    8.8387    48.435    12.439    55.318    12.562    18.839  2.5290  20.176  2.3696  -1.336916      3.465611 
1 1 1 13  -2  13 o 57.146  1.8239  437.836   27.916    432.633   39.247    443.164   39.715    56.802  2.5796  57.489  2.5791  -0.6871758     3.647755 
1 1 1 13  -2  14 o 77.298  2.0237  801.615   41.893    813.051   59.042    790.018   59.452    77.855  2.8313  76.741  2.8923  1.113335       4.047437 
1 1 1 13  -2  15 o 58.499  1.8497  458.899   28.980    449.977   40.736    468.043   41.238    57.923  2.6256  59.075  2.6062  -1.151993      3.699479 
1 1 1 13  -2  16 o 110.297 2.4924  1633.72   73.627    1606.21   103.784   1661.60   104.467   109.361 3.5431  111.234 3.5064  -1.873123      4.984767 
1 1 1 13  -2  17 o 149.514 3.1342  3007.98   125.497   3062.77   177.234   2952.89   177.727   150.887 4.3854  148.141 4.4791  2.745621       6.268474 
1 1 1 13  -2  18 o 163.943 3.3584  3619.34   147.471   3593.10   208.265   3645.74   208.849   163.345 4.7602  164.541 4.7388  -1.196152      6.716794 
1 1 1 13  -2  19 o 145.278 3.0774  2840.63   119.747   2811.52   169.119   2869.90   169.577   144.528 4.3687  146.027 4.3356  -1.498474      6.154867 
1 1 1 13  -2  20 o 200.379 4.0136  5428.58   215.387   5324.04   304.201   5533.68   305.008   198.428 5.7236  202.329 5.6281  -3.901016      8.027148 
1 1 1 13  -2  21 o 73.871  2.7740  759.060   49.715    679.548   89.104    795.001   59.906    70.807  4.7254  76.935  2.9071  -6.127937      5.548003 
1 1 1 13  -2  22 o 60.390  1.9070  490.076   30.836    498.433   43.311    481.486   43.912    60.916  2.6545  59.865  2.7385  1.050220       3.813926 
1 1 1 13  -2  23 o 140.910 2.9433  2683.29   111.085   2655.19   156.883   2711.54   157.313   140.166 4.1787  141.655 4.1461  -1.489609      5.886611 
1 1 1 13  -2  24 o 83.116  2.2047  931.178   49.075    943.004   69.148    919.177   69.659    83.653  3.0861  82.579  3.1493  1.074158       4.409324 
1 1 1 13  -2  25 o 43.983  1.8596  261.412   21.801    253.276   30.621    269.775   31.046    43.283  2.6541  44.683  2.6054  -1.399971      3.719179 
1 1 1 13  -2  26 o 73.861  2.0881  737.373   41.293    710.104   58.232    764.955   58.563    72.477  2.9997  75.246  2.9057  -2.768707      4.176267 
1 1 1 13  -2  27 o 35.828  1.8899  174.341   17.998    168.069   25.123    180.954   25.797    35.160  2.6881  36.496  2.6572  -1.336243      3.779723 
1 1 1 13  -2  28 o 90.590  2.4752  1123.17   59.645    1095.11   89.089    1145.97   80.296    89.451  3.7183  91.729  3.2681  -2.277802      4.950416 
1 1 1 13  -2  29 o 12.818  5.3239  7.8258    30.093    7.8258    30.093    0.0000    0.0000    12.818  5.3239  ?       ?       ?              ?        
1 1 1 13  -2  30 o 46.826  2.1788  299.219   26.778    310.090   41.868    291.694   34.835    47.458  3.3145  46.194  2.8290  1.263531       4.357633 
1 1 1 13  -2  31 o 32.646  2.3327  147.163   19.443    151.044   31.940    144.877   24.507    32.844  3.6948  32.447  2.8487  0.3970833      4.665486 
1 1 1 13  -2  32 o 11.641  3.0060  15.822    11.360    16.751    21.280    15.452    13.434    12.337  4.6787  10.945  3.7755  1.391854       6.012069 
1 1 1 13  -2  33 o 44.781  2.3437  283.648   26.981    266.490   43.198    294.623   34.550    43.385  3.7543  46.177  2.8067  -2.791153      4.687485 
1 1 1 13  -2  34 o 40.508  2.3515  226.150   24.602    255.467   40.602    209.141   30.926    42.358  3.6132  38.657  3.0105  3.700584       4.703031 
1 1 1 13  -2  35 o 39.620  2.4337  221.804   24.733    236.565   40.888    213.286   31.059    40.352  3.8289  38.888  3.0052  1.463490       4.867399 
1 1 1 13  -2  36 o 17.223  3.0341  53.203    15.634    12.856    27.889    71.691    18.879    12.249  5.1095  22.198  3.2734  -9.949676      6.068142 
1 1 1 13  -2  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -2  38 o 12.137  3.3155  15.098    14.191    34.821    26.762    7.3827    16.739    14.657  5.3034  9.6171  3.9806  5.040209       6.631085 
1 1 1 13  -2  39 o 7.9947  2.5985  -7.4514   12.478    -35.4181  25.586    1.2752    14.292    7.8089  3.8030  8.1806  3.5420  -0.3716421     5.196970 
1 1 1 13  -2  40 o 19.360  3.7247  63.304    18.330    78.109    34.988    57.703    21.520    20.038  6.0279  18.683  4.3771  1.354771       7.449470 
1 1 1 13  -2  41 o 25.302  3.5861  112.317   21.502    120.855   39.936    108.831   25.516    24.453  6.1137  26.152  3.7499  -1.699957      7.172131 
1 1 1 13  -1  0  o 124.585 3.2568  2069.52   101.918   2048.73   123.882   2113.07   179.286   123.643 3.7407  125.527 5.3324  -1.883934      6.513588 
1 1 1 13  -1  1  o 166.745 3.3502  3728.26   149.581   3839.35   211.797   3617.71   211.284   169.226 4.6727  164.264 4.8022  4.962128       6.700334 
1 1 1 13  -1  2  o 108.982 2.3894  1591.59   69.747    1596.80   98.464    1586.35   98.810    109.161 3.3676  108.803 3.3906  0.3582077      4.778786 
1 1 1 13  -1  3  o 123.036 2.6873  2029.71   88.523    2089.54   124.889   1969.31   125.494   124.860 3.7343  121.212 3.8653  3.648788       5.374567 
1 1 1 13  -1  4  o 310.827 5.8635  12994.79  488.148   12895.09  690.350   13094.49  690.342   309.629 8.3241  312.025 8.2601  -2.395081      11.72691 
1 1 1 13  -1  5  o 123.498 2.5973  2044.51   85.916    2041.91   121.568   2047.10   121.439   123.419 3.6775  123.576 3.6689  -0.1570053     5.194662 
1 1 1 13  -1  6  o 144.723 3.0028  2809.69   116.359   2895.98   164.586   2723.46   164.527   146.948 4.1816  142.497 4.3106  4.450378       6.005595 
1 1 1 13  -1  7  o 174.606 3.4167  4092.02   159.775   4021.93   225.753   4162.36   226.160   173.105 4.8689  176.107 4.7946  -3.002090      6.833349 
1 1 1 13  -1  8  o 157.887 3.2231  3346.00   136.302   3324.70   192.518   3367.41   193.004   157.383 4.5669  158.392 4.5493  -1.009171      6.446163 
1 1 1 13  -1  9  o 249.849 4.7957  8408.11   320.937   8441.18   453.657   8374.98   454.090   250.344 6.7655  249.354 6.7989  0.9905701      9.591497 
1 1 1 13  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -1  11 o 214.413 4.1500  6190.47   238.334   6177.78   336.794   6203.21   337.316   214.192 5.8705  214.633 5.8675  -0.4409790     8.299973 
1 1 1 13  -1  12 o 113.884 2.5401  1741.20   77.464    1780.09   109.357   1702.03   109.744   115.164 3.5452  112.604 3.6386  2.559967       5.080167 
1 1 1 13  -1  13 o 105.020 2.3557  1480.20   66.262    1487.25   93.507    1473.09   93.910    105.272 3.3162  104.768 3.3465  0.5041885      4.711322 
1 1 1 13  -1  14 o 213.275 4.1801  6134.72   238.788   6088.68   337.392   6180.93   338.004   212.469 5.9286  214.081 5.8946  -1.612152      8.360271 
1 1 1 13  -1  15 o 62.532  1.8812  524.680   31.496    538.123   44.352    511.005   44.733    63.342  2.6142  61.722  2.7058  1.619881       3.762353 
1 1 1 13  -1  16 o 186.413 3.7529  4683.50   187.380   4720.04   264.752   4646.82   265.238   187.147 5.2816  185.679 5.3332  1.468506       7.505882 
1 1 1 13  -1  17 o 181.719 3.6640  4450.33   178.335   4482.87   251.989   4417.67   252.420   182.390 5.1581  181.049 5.2052  1.341339       7.328072 
1 1 1 13  -1  18 f 98.851  2.3240  1312.12   61.533    1307.91   86.794    1316.37   87.250    98.692  3.2834  99.010  3.2900  -0.3183670     4.648077 
1 1 1 13  -1  19 o 76.765  2.0793  791.022   42.751    784.061   60.241    798.084   60.680    76.425  2.9429  77.105  2.9382  -0.6807022     4.158501 
1 1 1 13  -1  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  -1  21 o 73.979  2.0833  735.317   41.280    728.607   58.207    742.107   58.552    73.639  2.9511  74.319  2.9414  -0.6798935     4.166581 
1 1 1 13  -1  22 o 155.141 3.2106  3254.30   133.414   3247.81   188.460   3260.81   188.892   154.986 4.5398  155.296 4.5411  -0.3095703     6.421181 
1 1 1 13  -1  23 o 63.004  1.9968  533.935   33.693    523.675   47.253    544.546   48.056    62.388  2.8277  63.620  2.8201  -1.231884      3.993608 
1 1 1 13  -1  24 o 53.459  1.9326  385.417   27.615    392.258   38.872    378.447   39.237    53.979  2.6885  52.940  2.7768  1.039391       3.865106 
1 1 1 13  -1  25 o 81.973  2.2098  908.172   48.505    931.024   68.459    885.135   68.735    83.019  3.0787  80.926  3.1710  2.092934       4.419679 
1 1 1 13  -1  26 o 32.539  1.9034  144.275   16.377    157.762   23.138    130.737   23.182    34.101  2.5518  30.977  2.8250  3.123817       3.806852 
1 1 1 13  -1  27 o 58.757  1.9514  467.439   30.686    442.979   43.184    492.385   43.611    57.191  2.8191  60.324  2.6991  -3.133049      3.902874 
1 1 1 13  -1  28 o 20.470  2.2311  58.781    11.706    68.367    16.485    49.030    16.626    22.274  2.8269  18.666  3.4526  3.607637       4.462282 
1 1 1 13  -1  29 o 58.192  3.8351  468.294   59.441    0.0000    0.0000    468.294   59.441    ?       ?       58.192  3.8351  ?              ?        
1 1 1 13  -1  30 o 61.998  2.0635  524.620   34.266    522.398   48.271    526.877   48.649    61.868  2.9129  62.129  2.9234  -0.2604599     4.126929 
1 1 1 13  -1  31 o 42.796  1.9615  251.224   22.360    245.273   31.418    257.332   31.829    42.275  2.7903  43.318  2.7577  -1.042999      3.923099 
1 1 1 13  -1  32 o 9.9691  2.5807  11.113    9.1659    15.573    12.945    6.6277    12.980    10.891  3.7077  9.0470  3.5908  1.844240       5.161496 
1 1 1 13  -1  33 o 50.809  2.2695  356.827   30.107    380.346   48.187    341.767   38.560    51.987  3.4806  49.631  2.9134  2.355934       4.539020 
1 1 1 13  -1  34 o 15.168  3.3133  33.043    14.070    39.315    24.989    30.131    17.025    16.092  5.1374  14.244  4.1856  1.847499       6.626603 
1 1 1 13  -1  35 o 11.028  3.0696  13.005    12.549    10.294    23.367    14.104    14.876    11.400  4.7095  10.656  3.9384  0.7436466      6.139262 
1 1 1 13  -1  36 o 21.758  5.4081  78.405    31.381    78.405    31.381    0.0000    0.0000    21.758  5.4081  ?       ?       ?              ?        
1 1 1 13  -1  37 o 12.096  3.1673  20.749    13.415    10.148    25.674    24.730    15.733    11.456  4.8478  12.737  4.0775  -1.280730      6.334630 
1 1 1 13  -1  38 o 14.939  3.5255  33.760    15.314    46.264    28.777    28.820    18.088    16.357  5.5283  13.520  4.3766  2.837910       7.050952 
1 1 1 13  -1  39 o 32.859  2.9270  163.564   23.707    186.902   41.839    152.528   28.771    33.807  4.7516  31.912  3.4193  1.894836       5.854014 
1 1 1 13  -1  40 o 11.975  3.3553  20.231    14.758    19.818    29.428    20.369    17.058    12.382  5.2122  11.568  4.2267  0.8135424      6.710591 
1 1 1 13  -1  41 o 24.737  3.7129  122.591   22.102    96.206    41.001    133.398   26.240    20.279  6.5912  29.195  3.4204  -8.915878      7.425877 
1 1 1 13  0   0  o 159.622 3.2353  3416.21   138.294   3502.88   195.746   3329.84   195.409   161.645 4.5211  157.598 4.6292  4.046814       6.470658 
1 1 1 13  0   1  o 285.106 5.3535  10919.05  408.811   11000.02  578.076   10838.03  578.215   286.167 7.5418  284.045 7.6000  2.121521       10.70696 
1 1 1 13  0   2  o 102.214 2.3290  1400.73   63.727    1448.93   89.886    1352.01   90.364    103.984 3.2273  100.444 3.3588  3.540268       4.657992 
1 1 1 13  0   3  o 166.623 3.3428  3723.40   149.186   3742.11   210.677   3704.59   211.287   167.044 4.7087  166.202 4.7462  0.8414612      6.685655 
1 1 1 13  0   4  o 320.646 5.9704  13837.23  512.754   13720.45  725.173   13954.00  725.115   319.286 8.4795  322.006 8.4073  -2.719513      11.94087 
1 1 1 13  0   5  o 170.089 3.4387  3881.87   156.636   3968.14   221.760   3795.97   221.275   171.978 4.8142  168.199 4.9115  3.778381       6.877459 
1 1 1 13  0   6  o 141.855 2.9013  2699.11   110.228   2667.05   155.972   2731.11   155.801   141.012 4.1295  142.698 4.0763  -1.686142      5.802506 
1 1 1 13  0   7  f 175.847 3.5083  4152.12   165.215   4241.95   233.772   4062.48   233.526   177.752 4.9101  173.942 5.0124  3.809860       7.016607 
1 1 1 13  0   8  o 76.153  1.9892  777.445   40.569    760.039   57.296    794.944   57.450    75.297  2.8409  77.008  2.7852  -1.711021      3.978492 
1 1 1 13  0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  0   10 o 26.560  1.6358  95.308    11.514    91.868    16.300    98.733    16.266    26.074  2.3596  27.047  2.2663  -0.9731503     3.271644 
1 1 1 13  0   11 o 117.305 2.5936  1847.29   81.474    1886.43   115.064   1807.94   115.381   118.554 3.6235  116.055 3.7117  2.498787       5.187207 
1 1 1 13  0   12 o 111.950 2.4920  1682.19   74.718    1651.27   105.430   1713.40   105.906   110.914 3.5489  112.985 3.4995  -2.070839      4.984073 
1 1 1 13  0   13 o 72.849  2.0125  712.274   39.240    742.057   55.393    682.274   55.595    74.381  2.7804  71.317  2.9104  3.064270       4.025012 
1 1 1 13  0   14 o 86.960  2.1796  1014.72   50.767    1014.97   71.579    1014.46   72.012    86.971  3.0727  86.948  3.0921  0.2275085E-01  4.359219 
1 1 1 13  0   15 o 57.641  1.8551  445.596   28.639    441.071   40.313    450.208   40.694    57.346  2.6246  57.937  2.6223  -0.5909767     3.710117 
1 1 1 13  0   16 o 111.533 2.5553  1670.83   76.333    1645.27   107.651   1696.67   108.254   110.674 3.6315  112.392 3.5960  -1.718674      5.110655 
1 1 1 13  0   17 o 80.330  2.1702  866.210   46.691    873.971   65.778    858.329   66.288    80.695  3.0433  79.966  3.0948  0.7283554      4.340499 
1 1 1 13  0   18 o 89.217  2.2737  1068.74   54.330    1052.30   76.530    1085.44   77.142    88.524  3.2276  89.909  3.2033  -1.384857      4.547384 
1 1 1 13  0   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  0   20 o 70.773  2.0552  673.456   38.910    708.064   54.813    638.301   55.244    72.614  2.8182  68.932  2.9921  3.681747       4.110353 
1 1 1 13  0   21 o 145.475 3.0985  2857.45   120.711   2917.02   170.542   2797.63   170.880   147.008 4.3311  143.941 4.4322  3.066284       6.197010 
1 1 1 13  0   22 o 34.945  1.9117  165.243   17.705    150.715   24.853    180.214   25.229    33.362  2.8074  36.528  2.5955  -3.166183      3.823346 
1 1 1 13  0   23 o 131.638 2.8882  2345.76   101.831   2362.98   143.785   2328.42   144.238   132.130 4.0628  131.146 4.1062  0.9847260      5.776401 
1 1 1 13  0   24 o 57.615  1.9289  447.241   29.767    445.957   41.886    448.551   42.310    57.533  2.7181  57.698  2.7378  -0.1645432     3.857887 
1 1 1 13  0   25 o 11.388  2.4689  17.584    8.2673    19.262    11.690    15.904    11.694    11.818  3.4670  10.959  3.5160  0.8587255      4.937881 
1 1 1 13  0   26 o 63.878  2.0132  552.130   34.442    552.644   48.416    551.603   49.007    63.913  2.8282  63.844  2.8658  0.6884766E-01  4.026366 
1 1 1 13  0   27 o 29.402  1.9672  118.247   15.293    122.772   21.526    113.636   21.730    29.991  2.7089  28.814  2.8531  1.176830       3.934302 
1 1 1 13  0   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  0   29 o 84.360  2.2968  973.646   51.886    946.550   73.005    1001.30   73.758    83.158  3.2776  85.563  3.2184  -2.404449      4.593532 
1 1 1 13  0   30 o 15.620  2.5947  35.275    10.798    43.688    15.168    26.633    15.374    17.555  3.3481  13.686  3.9649  3.868818       5.189415 
1 1 1 13  0   31 o 8.8240  2.0393  -0.5692   8.0549    -25.1121  11.468    23.332    11.317    4.8828  2.4113  12.765  3.2893  -7.882434      4.078502 
1 1 1 13  0   32 o 19.931  2.4751  57.150    12.665    65.481    17.890    48.779    17.932    21.525  3.2002  18.337  3.7766  3.187920       4.950173 
1 1 1 13  0   33 o 16.440  2.8181  40.028    12.406    31.645    17.393    48.710    17.700    14.630  4.2111  18.251  3.7462  -3.620594      5.636247 
1 1 1 13  0   34 o 15.311  2.8071  35.064    11.674    29.982    16.335    40.370    16.690    14.168  4.0819  16.454  3.8546  -2.285969      5.614214 
1 1 1 13  0   35 o 20.044  2.5751  59.611    13.304    61.376    18.551    57.741    19.090    20.418  3.5191  19.670  3.7605  0.7478504      5.150243 
1 1 1 13  0   36 o 19.361  3.8905  57.055    19.476    0.0000    0.0000    57.055    19.476    ?       ?       19.361  3.8905  ?              ?        
1 1 1 13  0   37 o 6.8585  2.3541  -18.3781  10.885    -22.5851  22.817    -17.1385  12.385    8.0435  3.8327  5.6736  2.7346  2.369812       4.708197 
1 1 1 13  0   38 o 13.585  3.5072  26.425    15.118    35.841    29.420    23.047    17.623    14.808  5.5256  12.363  4.3209  2.445374       7.014399 
1 1 1 13  0   39 o 13.336  3.3128  29.850    16.243    -0.3836   32.016    40.328    18.848    11.028  5.0031  15.645  4.3437  -4.616776      6.625636 
1 1 1 13  0   40 o 23.581  3.6124  101.088   20.655    95.349    37.735    103.543   24.680    21.525  6.2048  25.638  3.7011  -4.112808      7.224798 
1 1 1 13  1   0  o 206.979 4.0585  5749.84   224.868   5975.44   318.078   5524.42   317.946   211.047 5.6269  202.912 5.8500  8.135162       8.116916 
1 1 1 13  1   1  o 122.311 2.6250  2005.11   85.998    2006.90   121.446   2003.31   121.794   122.366 3.7054  122.256 3.7193  0.1098022      5.250091 
1 1 1 13  1   2  o 209.333 4.0373  5881.25   226.347   5965.98   319.699   5796.10   320.508   210.849 5.6608  207.818 5.7579  3.031067       8.074574 
1 1 1 13  1   3  o 220.257 4.2784  6513.72   252.399   6447.14   356.595   6580.56   357.297   219.126 6.0756  221.387 6.0254  -2.260498      8.556824 
1 1 1 13  1   4  o 196.951 3.8972  5207.45   205.573   5129.19   290.663   5285.79   290.784   195.467 5.5517  198.435 5.4710  -2.968292      7.794425 
1 1 1 13  1   5  o 139.506 2.9378  2610.51   109.772   2588.71   155.401   2632.22   155.080   138.924 4.1763  140.089 4.1330  -1.164886      5.875616 
1 1 1 13  1   6  o 119.455 2.6090  1913.75   83.472    1895.98   118.195   1931.43   117.899   118.901 3.7113  120.009 3.6678  -1.108376      5.217917 
1 1 1 13  1   7  f 58.512  1.7989  458.934   28.187    448.974   39.900    468.857   39.826    57.878  2.5738  59.147  2.5139  -1.268761      3.597778 
1 1 1 13  1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  1   9  o 84.404  2.1341  955.348   48.246    960.798   68.225    949.896   68.235    84.645  3.0092  84.162  3.0269  0.4822388      4.268203 
1 1 1 13  1   10 o 182.781 3.6687  4493.65   179.606   4514.84   253.899   4472.44   254.104   183.214 5.1738  182.347 5.2026  0.8666229      7.337303 
1 1 1 13  1   11 o 110.134 2.5041  1628.02   73.868    1637.65   104.316   1618.34   104.615   110.462 3.5258  109.807 3.5569  0.6551056      5.008256 
1 1 1 13  1   12 o 74.219  2.0209  738.837   40.174    734.445   56.705    743.263   56.925    73.998  2.8610  74.441  2.8550  -0.4431076     4.041798 
1 1 1 13  1   13 f 51.935  1.8208  362.514   25.254    380.032   35.602    344.770   35.829    53.237  2.4967  50.634  2.6510  2.603027       3.641646 
1 1 1 13  1   14 o 171.363 3.4615  3952.61   158.863   3876.07   224.363   4029.56   224.971   169.692 4.9363  173.034 4.8541  -3.341843      6.923093 
1 1 1 13  1   15 o 107.954 2.4652  1564.89   71.272    1528.47   100.479   1601.76   101.111   106.688 3.5162  109.220 3.4563  -2.532921      4.930449 
1 1 1 13  1   16 o 79.224  2.1425  842.557   45.450    862.420   64.089    822.460   64.466    80.166  2.9847  78.282  3.0745  1.884102       4.285006 
1 1 1 13  1   17 o 43.977  1.8162  260.296   21.296    253.339   29.992    267.371   30.244    43.380  2.5931  44.574  2.5438  -1.193626      3.632461 
1 1 1 13  1   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  1   19 o 76.329  2.0642  782.429   42.196    790.101   59.417    774.623   59.935    76.708  2.8919  75.949  2.9462  0.7588196      4.128349 
1 1 1 13  1   20 o 132.215 2.8453  2355.67   100.759   2369.21   142.212   2342.02   142.778   132.600 4.0041  131.830 4.0435  0.7708282      5.690583 
1 1 1 13  1   21 o 54.996  1.9320  406.406   28.456    400.703   39.900    412.310   40.594    54.603  2.7281  55.388  2.7363  -0.7846222     3.863918 
1 1 1 13  1   22 o 79.715  2.1566  855.635   46.045    854.100   64.878    857.192   65.361    79.644  3.0412  79.786  3.0584  -0.1416092     4.313148 
1 1 1 13  1   23 o 80.887  2.1669  882.359   46.942    890.628   66.076    873.934   66.701    81.275  3.0353  80.500  3.0935  0.7757645      4.333883 
1 1 1 13  1   24 o 40.780  1.8622  224.968   20.225    217.562   28.322    232.676   28.891    40.089  2.6526  41.470  2.6144  -1.381233      3.724440 
1 1 1 13  1   25 o 78.369  2.1522  831.320   45.164    804.327   63.588    858.799   64.159    77.076  3.0801  79.663  3.0068  -2.587517      4.304460 
1 1 1 13  1   26 o 19.988  2.2500  55.521    11.635    54.802    16.134    56.299    16.795    19.860  3.1373  20.116  3.2261  -0.2561893     4.500054 
1 1 1 13  1   27 o 55.488  3.6669  423.228   54.192    423.228   54.192    0.0000    0.0000    55.488  3.6669  ?       ?       ?              ?        
1 1 1 13  1   28 f 49.633  1.9640  335.619   25.989    319.618   36.407    352.246   37.112    48.411  2.8199  50.856  2.7346  -2.445309      3.928059 
1 1 1 13  1   29 o 50.814  1.9724  352.574   26.733    339.876   37.438    365.785   38.186    49.870  2.8143  51.759  2.7644  -1.889416      3.944857 
1 1 1 13  1   30 o 27.077  2.1739  103.236   15.087    125.701   21.232    80.322    21.443    30.253  2.6468  23.901  3.4493  6.352154       4.347738 
1 1 1 13  1   31 o 18.492  2.5492  49.427    12.142    54.753    16.849    43.675    17.512    19.641  3.3213  17.344  3.8681  2.297197       5.098358 
1 1 1 13  1   32 o 26.048  2.2024  95.803    14.952    105.654   20.951    85.578    21.344    27.521  2.8850  24.574  3.3284  2.947104       4.404702 
1 1 1 13  1   33 o 15.727  2.8982  36.953    12.337    35.587    17.442    38.320    17.451    15.432  4.1359  16.022  4.0610  -0.5906343     5.796342 
1 1 1 13  1   34 o 15.693  2.8259  37.323    11.959    41.357    16.645    33.018    17.195    16.621  3.8190  14.766  4.1663  1.854914       5.651779 
1 1 1 13  1   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  1   36 o 21.952  2.6054  72.897    14.627    84.125    20.474    61.190    20.906    23.967  3.2751  19.937  4.0529  4.029522       5.210823 
1 1 1 13  1   37 o 21.069  2.7575  68.731    14.815    47.629    20.606    91.313    21.316    17.232  4.4375  24.906  3.2747  -7.674223      5.514982 
1 1 1 13  1   38 o 10.588  2.8087  12.017    11.944    25.634    16.510    -2.9372   17.302    12.802  4.1836  8.3743  3.7486  4.427251       5.617367 
1 1 1 13  1   39 o 15.315  3.6403  41.520    16.965    39.146    32.472    42.412    19.897    14.782  5.7349  15.848  4.4852  -1.066697      7.280519 
1 1 1 13  2   0  o 169.139 3.3351  3836.59   151.092   3819.89   213.392   3853.39   213.962   168.770 4.7206  169.509 4.7125  -0.7388916     6.670222 
1 1 1 13  2   1  o 358.168 6.6578  17282.43  638.703   17176.01  902.758   17389.08  903.768   357.059 9.4394  359.278 9.3916  -2.218536      13.31551 
1 1 1 13  2   2  o 190.476 3.7506  4870.09   191.292   5000.98   270.179   4738.53   270.879   193.048 5.2251  187.903 5.3821  5.145187       7.501275 
1 1 1 13  2   3  o 61.451  1.8453  506.040   30.370    509.241   42.766    502.784   43.135    61.647  2.5900  61.255  2.6291  0.3926125      3.690508 
1 1 1 13  2   4  o 60.390  1.8734  488.944   30.282    509.736   42.827    468.157   42.823    61.675  2.5925  59.105  2.7050  2.570488       3.746741 
1 1 1 13  2   5  o 193.455 3.8386  5027.29   198.902   5065.78   281.472   4988.91   281.108   194.197 5.4113  192.714 5.4459  1.482666       7.677278 
1 1 1 13  2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  2   7  o 161.248 4.6093  3499.21   198.809   3755.62   284.851   3255.67   277.605   167.024 6.3672  155.471 6.6663  11.55310       9.218543 
1 1 1 13  2   8  o 96.187  2.3175  1241.04   59.697    1268.93   84.556    1213.33   84.294    97.266  3.2456  95.108  3.3089  2.157509       4.634983 
1 1 1 13  2   9  o 211.915 4.1517  6046.85   235.652   6064.83   333.317   6028.89   333.207   212.231 5.8635  211.598 5.8791  0.6327515      8.303329 
1 1 1 13  2   10 o 76.117  2.0296  777.201   41.364    802.823   58.529    751.634   58.465    77.373  2.8242  74.862  2.9157  2.510658       4.059284 
1 1 1 13  2   11 o 237.927 4.6250  7640.39   294.738   7693.17   416.736   7587.57   416.908   238.756 6.5166  237.098 6.5648  1.657822       9.250004 
1 1 1 13  2   12 o 139.068 2.9377  2599.59   109.374   2690.77   154.605   2508.23   154.752   141.518 4.0787  136.617 4.2290  4.901077       5.875437 
1 1 1 13  2   13 o 42.568  1.7605  243.829   19.983    247.602   28.231    240.040   28.290    42.901  2.4672  42.235  2.5121  0.6659241      3.521010 
1 1 1 13  2   14 o 70.665  1.9772  669.837   37.422    660.295   52.739    679.514   53.110    70.158  2.8065  71.173  2.7859  -1.014595      3.954480 
1 1 1 13  2   15 o 53.841  1.9348  390.569   27.715    432.274   39.197    348.872   39.194    56.772  2.5777  50.911  2.8861  5.860706       3.869615 
1 1 1 13  2   16 o 72.487  2.0227  705.064   39.252    676.735   55.272    733.889   55.753    71.015  2.9058  73.958  2.8145  -2.942535      4.045371 
1 1 1 13  2   17 o 104.348 4.7448  1466.72   132.615   1466.72   132.615   0.0000    0.0000    104.348 4.7448  ?       ?       ?              ?        
1 1 1 13  2   18 o 24.621  1.9409  82.461    12.561    86.969    17.713    77.900    17.815    25.319  2.6512  23.923  2.8354  1.396282       3.881818 
1 1 1 13  2   19 o 138.945 3.0219  2602.64   112.446   2653.09   158.834   2551.94   159.212   140.305 4.2265  137.585 4.3203  2.720016       6.043898 
1 1 1 13  2   20 o 102.492 2.4336  1414.01   66.802    1387.12   94.070    1441.36   94.879    101.506 3.4599  103.477 3.4232  -1.971252      4.867211 
1 1 1 13  2   21 o 62.224  2.0138  520.766   33.562    517.889   47.187    523.711   47.745    62.051  2.8391  62.397  2.8568  -0.3461151     4.027620 
1 1 1 13  2   22 o 102.080 2.4538  1407.12   67.077    1436.19   94.631    1377.77   95.092    103.150 3.4251  101.010 3.5147  2.140755       4.907625 
1 1 1 13  2   23 o 41.791  1.8563  236.307   20.660    244.014   29.080    228.453   29.356    42.491  2.5672  41.091  2.6820  1.399632       3.712597 
1 1 1 13  2   24 o 82.838  2.2033  928.497   48.884    931.530   68.804    925.406   69.466    82.980  3.0956  82.696  3.1362  0.2841492      4.406645 
1 1 1 13  2   25 o 11.512  2.2452  16.030    8.4699    32.969    12.196    0.2467    11.772    15.331  3.0769  7.6942  3.2706  7.636440       4.490479 
1 1 1 13  2   26 o 23.818  2.0967  78.303    13.023    86.286    18.460    70.395    18.375    25.083  2.7953  22.553  3.1259  2.529720       4.193407 
1 1 1 13  2   27 o 33.980  2.8596  170.408   21.997    140.832   41.039    182.330   26.056    31.387  5.0531  36.573  2.6785  -5.185665      5.719129 
1 1 1 13  2   28 o 27.267  2.0762  102.848   14.816    114.789   20.880    90.739    21.026    28.937  2.7261  25.597  3.1322  3.339886       4.152340 
1 1 1 13  2   29 o 44.010  1.9667  265.089   23.061    259.355   32.290    271.058   32.946    43.522  2.7846  44.499  2.7780  -0.9770279     3.933357 
1 1 1 13  2   30 o 51.137  1.9961  359.130   27.232    353.538   38.282    364.858   38.745    50.730  2.8286  51.543  2.8171  -0.8134079     3.992138 
1 1 1 13  2   31 o 33.461  2.0602  155.459   18.270    159.663   25.704    151.166   25.973    33.945  2.8535  32.977  2.9725  0.9683723      4.120456 
1 1 1 13  2   32 o 22.987  2.4300  75.687    14.473    80.716    20.457    70.648    20.480    23.824  3.2940  22.151  3.5734  1.673088       4.860018 
1 1 1 13  2   33 o 20.542  2.5569  61.632    13.553    59.787    19.017    63.536    19.319    20.209  3.6476  20.876  3.5841  -0.6674805     5.113785 
1 1 1 13  2   34 o 26.546  3.4201  102.281   23.752    102.281   23.752    0.0000    0.0000    26.546  3.4201  ?       ?       ?              ?        
1 1 1 13  2   35 o 33.313  2.1979  159.388   19.285    140.809   26.797    179.348   27.775    31.178  3.2570  35.449  2.9521  -4.270920      4.395782 
1 1 1 13  2   36 o 16.294  2.9669  41.558    13.055    37.155    18.092    46.342    18.857    15.364  4.2521  17.225  4.1388  -1.861115      5.933773 
1 1 1 13  2   37 o 9.7251  2.7253  8.0583    11.127    17.821    15.758    -1.6511   15.715    11.259  4.0702  8.1911  3.6251  3.068061       5.450520 
1 1 1 13  2   38 o 12.917  3.0819  26.370    12.695    22.888    17.687    30.071    18.234    12.217  4.3239  13.618  4.3927  -1.401538      6.163718 
1 1 1 13  2   39 f 7.6316  2.4247  -6.2051   10.866    -18.0098  15.312    5.7719    15.423    6.3663  3.0616  8.8968  3.7607  -2.530570      4.849387 
1 1 1 13  3   0  o 191.720 3.7540  4932.65   192.776   4918.27   272.255   4947.10   272.999   191.439 5.3095  192.000 5.3085  -0.5602722     7.508061 
1 1 1 13  3   1  o 246.216 4.7363  8147.46   312.353   8133.47   441.187   8161.51   442.282   246.005 6.6956  246.428 6.7007  -0.4231110     9.472641 
1 1 1 13  3   2  o 54.854  1.7796  403.211   26.146    404.731   36.805    401.663   37.148    54.959  2.5003  54.750  2.5332  0.2090721      3.559249 
1 1 1 13  3   3  o 172.086 3.4285  3975.53   157.968   3838.13   222.961   4114.03   223.842   169.094 4.9228  175.079 4.7733  -5.984207      6.856984 
1 1 1 13  3   4  o 207.222 5.7885  5799.25   320.826   6103.64   451.218   5488.03   456.258   212.776 7.9173  201.668 8.4466  11.10750       11.57707 
1 1 1 13  3   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  3   6  o 65.090  1.9339  568.012   33.701    590.368   47.830    545.969   47.493    66.363  2.6908  63.817  2.7785  2.546211       3.867876 
1 1 1 13  3   7  o 68.793  1.9531  634.524   35.986    628.680   50.994    640.322   50.792    68.477  2.7803  69.109  2.7439  -0.6320953     3.906257 
1 1 1 13  3   8  o 170.321 3.4542  3899.95   157.541   4004.54   223.027   3795.80   222.568   172.609 4.8240  168.034 4.9451  4.574402       6.908320 
1 1 1 13  3   9  o 181.569 3.6298  4434.88   176.510   4359.02   249.646   4510.71   249.600   180.009 5.1777  183.129 5.0886  -3.119324      7.259682 
1 1 1 13  3   10 o 121.292 2.6660  1975.32   86.607    1953.81   122.500   1996.81   122.462   120.630 3.7913  121.954 3.7490  -1.323448      5.331918 
1 1 1 13  3   11 o 70.631  1.9792  669.186   37.434    686.648   52.977    651.774   52.901    71.552  2.7642  69.709  2.8333  1.843254       3.958340 
1 1 1 13  3   12 o 170.509 3.4767  3912.45   158.771   3960.63   224.473   3864.22   224.598   171.564 4.8848  169.453 4.9484  2.111588       6.953307 
1 1 1 13  3   13 o 79.176  2.1088  841.097   44.722    840.152   63.128    842.049   63.367    79.132  2.9784  79.221  2.9863  -0.8889008E-01 4.217666 
1 1 1 13  3   14 o 41.651  1.8470  233.607   20.492    224.688   28.874    242.658   29.087    40.843  2.6537  42.459  2.5697  -1.615604      3.694023 
1 1 1 13  3   15 o 91.901  2.2916  1133.80   56.394    1100.54   79.490    1167.51   80.021    90.541  3.2777  93.260  3.2034  -2.719086      4.583194 
1 1 1 13  3   16 o 61.197  3.7081  505.099   60.494    505.099   60.494    0.0000    0.0000    61.197  3.7081  ?       ?       ?              ?        
1 1 1 13  3   17 o 35.423  1.8472  169.279   17.402    170.988   24.662    167.584   24.558    35.603  2.6042  35.243  2.6203  0.3595924      3.694327 
1 1 1 13  3   18 o 123.153 2.7527  2041.59   90.799    2053.22   128.145   2029.86   128.673   123.508 3.8736  122.798 3.9121  0.7105865      5.505417 
1 1 1 13  3   19 o 250.399 4.9101  8564.17   329.312   8535.17   465.351   8593.25   466.085   249.970 6.9503  250.828 6.9375  -0.8581238     9.820128 
1 1 1 13  3   20 o 130.172 2.8501  2287.88   99.369    2261.45   140.219   2314.54   140.842   129.413 4.0452  130.931 4.0161  -1.517929      5.700229 
1 1 1 13  3   21 o 47.868  1.8596  309.150   23.748    311.922   33.443    306.331   33.728    48.089  2.6062  47.648  2.6533  0.4405670      3.719113 
1 1 1 13  3   22 o 35.466  1.8530  170.340   17.471    175.013   24.625    165.603   24.792    35.966  2.5732  34.967  2.6672  0.9989166      3.706091 
1 1 1 13  3   23 o 49.781  1.9021  335.188   25.267    333.933   35.568    336.466   35.899    49.688  2.6824  49.874  2.6974  -0.1860123     3.804130 
1 1 1 13  3   24 o 20.334  2.2549  58.761    11.423    38.392    16.015    79.854    16.297    16.477  3.7172  24.192  2.5537  -7.715126      4.509894 
1 1 1 13  3   25 o 48.328  1.9255  316.992   24.819    308.492   34.771    325.819   35.436    47.662  2.7351  48.993  2.7109  -1.330345      3.850958 
1 1 1 13  3   26 o 30.064  3.7908  125.732   29.847    0.0000    0.0000    125.732   29.847    ?       ?       30.064  3.7908  ?              ?        
1 1 1 13  3   27 o 33.720  1.9538  155.312   17.480    148.090   24.322    163.027   25.138    32.899  2.7863  34.541  2.7396  -1.641796      3.907525 
1 1 1 13  3   28 o 65.005  2.0771  576.783   36.161    580.353   50.855    573.131   51.430    65.220  2.9111  64.791  2.9636  0.4288025      4.154213 
1 1 1 13  3   29 o 8.2440  2.3355  1.2849    8.5535    12.011    12.315    -8.7133   11.889    10.030  3.6017  6.4578  2.9742  3.572329       4.671021 
1 1 1 13  3   30 o 33.203  2.0745  153.316   18.022    125.994   25.187    181.980   25.798    30.044  3.1781  36.363  2.6673  -6.319738      4.149100 
1 1 1 13  3   31 o 9.7062  2.6409  8.5517    9.9835    2.1167    14.153    14.925    14.085    8.5557  3.6088  10.857  3.8568  -2.301012      5.281896 
1 1 1 13  3   32 o 43.149  2.0572  260.064   23.585    238.882   32.987    282.216   33.733    41.287  3.0035  45.012  2.8120  -3.725307      4.114432 
1 1 1 13  3   33 o 13.418  2.8369  26.415    11.446    36.170    16.176    16.634    16.197    15.505  3.8989  11.330  4.1219  4.174603       5.673740 
1 1 1 13  3   34 o 29.783  2.2399  127.449   17.586    122.960   24.467    132.247   25.294    29.231  3.1761  30.335  3.1594  -1.104145      4.479889 
1 1 1 13  3   35 o 7.2031  2.2531  -8.3363   9.4636    -23.4202  13.496    6.2553    13.274    5.5834  2.7285  8.8227  3.5862  -3.239302      4.506138 
1 1 1 13  3   36 o 24.484  2.6157  90.254    16.294    70.115    22.617    111.984   23.494    21.285  4.1160  27.684  3.2290  -6.399399      5.231470 
1 1 1 13  3   37 o 7.0003  2.3022  -10.1994  10.469    -7.9763   14.679    -12.5013  14.937    7.1828  3.3069  6.8177  3.2040  0.3651190      4.604478 
1 1 1 13  3   38 o 9.0228  2.6054  1.3120    11.390    -16.8606  16.187    19.132    16.029    6.7279  3.2120  11.318  4.1030  -4.589784      5.210717 
1 1 1 13  4   0  o 130.088 2.7550  2269.62   95.985    2297.93   135.408   2241.04   136.080   130.905 3.8619  129.271 3.9301  1.633698       5.509961 
1 1 1 13  4   1  o 352.290 6.5880  16760.84  621.402   17292.76  878.680   16228.64  878.910   357.929 9.1653  346.651 9.4659  11.27789       13.17596 
1 1 1 13  4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  4   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  4   4  o 82.363  2.1449  909.522   47.317    906.143   66.844    912.917   66.990    82.210  3.0356  82.517  3.0309  -0.3068466     4.289718 
1 1 1 13  4   5  o 132.620 2.8938  2360.91   102.776   2414.56   145.513   2307.51   145.181   134.126 4.0504  131.114 4.1340  3.012741       5.787569 
1 1 1 13  4   6  o 172.431 3.4811  3996.71   160.733   3890.68   227.427   4102.52   227.194   170.137 4.9906  174.725 4.8546  -4.587540      6.962276 
1 1 1 13  4   7  o 52.861  1.7846  374.593   25.267    374.682   35.838    374.505   35.628    52.867  2.5308  52.855  2.5166  0.1218033E-01  3.569120 
1 1 1 13  4   8  o 147.195 3.1028  2910.97   122.329   2890.91   173.118   2930.98   172.882   146.686 4.4062  147.703 4.3699  -1.016983      6.205685 
1 1 1 13  4   9  o 139.235 2.9655  2604.35   110.591   2629.50   156.537   2579.30   156.263   139.907 4.1772  138.562 4.2104  1.345398       5.930998 
1 1 1 13  4   10 o 114.772 2.5830  1769.07   79.368    1706.23   112.246   1831.89   112.241   112.728 3.7175  116.816 3.5872  -4.087608      5.166047 
1 1 1 13  4   11 o 107.071 2.4632  1539.09   70.631    1509.35   99.865    1568.86   99.910    106.034 3.5162  108.108 3.4503  -2.074684      4.926319 
1 1 1 13  4   12 o 129.302 2.8026  2246.20   97.061    2262.14   137.280   2230.27   137.251   129.762 3.9498  128.842 3.9771  0.9201050      5.605181 
1 1 1 13  4   13 o 33.075  1.8861  147.748   16.522    134.587   23.162    161.383   23.574    31.555  2.7684  34.595  2.5623  -3.040243      3.772203 
1 1 1 13  4   14 o 93.581  2.2737  1175.58   56.986    1189.97   80.474    1161.11   80.707    94.157  3.1909  93.005  3.2398  1.152222       4.547339 
1 1 1 13  4   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  4   16 o 56.348  1.9312  426.927   29.070    445.848   41.020    407.837   41.202    57.643  2.6568  55.054  2.8034  2.588924       3.862374 
1 1 1 13  4   17 o 100.869 2.4121  1367.78   65.167    1373.78   91.977    1361.73   92.344    101.093 3.3968  100.645 3.4255  0.4475708      4.824156 
1 1 1 13  4   18 o 88.399  2.2417  1050.68   53.077    1050.31   74.836    1051.05   75.290    88.384  3.1612  88.413  3.1793  -0.2899933E-01 4.483422 
1 1 1 13  4   19 o 35.073  1.9206  166.074   17.879    155.269   24.818    177.733   25.779    33.876  2.7591  36.270  2.6724  -2.393330      3.841132 
1 1 1 13  4   20 o 90.927  2.2901  1114.25   55.738    1062.11   78.449    1167.40   79.208    88.768  3.2995  93.085  3.1769  -4.317406      4.580265 
1 1 1 13  4   21 o 33.164  1.8511  149.119   16.288    153.799   22.728    144.178   23.354    33.714  2.5354  32.613  2.6977  1.100548       3.702112 
1 1 1 13  4   22 o 41.537  1.8989  234.405   20.912    257.848   29.417    210.454   29.733    43.678  2.5252  39.395  2.8368  4.282909       3.797872 
1 1 1 13  4   23 o 32.153  1.8742  140.422   15.993    137.333   22.336    143.672   22.911    31.789  2.6474  32.518  2.6536  -0.7289619     3.748355 
1 1 1 13  4   24 o 17.193  2.3062  41.411    10.228    38.410    14.281    44.572    14.654    16.523  3.3417  17.864  3.1792  -1.340660      4.612420 
1 1 1 13  4   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  4   26 o 20.017  2.3529  56.629    12.021    68.261    17.014    45.032    16.988    22.223  2.9297  17.811  3.6826  4.412382       4.705822 
1 1 1 13  4   27 o 27.154  2.0720  101.649   14.819    103.061   20.669    100.156   21.258    27.367  2.8621  26.940  2.9969  0.4273567      4.143975 
1 1 1 13  4   28 o 65.945  2.1442  596.207   37.825    624.694   53.197    567.076   53.795    67.585  2.9386  64.306  3.1232  3.278595       4.288344 
1 1 1 13  4   29 f 31.580  2.1355  139.422   17.547    165.682   24.843    113.277   24.788    34.706  2.6935  28.453  3.3146  6.252766       4.271024 
1 1 1 13  4   30 o 32.013  2.1067  142.695   17.802    129.809   24.925    156.113   25.433    30.478  3.0962  33.548  2.8576  -3.070139      4.213354 
1 1 1 13  4   31 o 39.463  2.0498  217.493   21.459    231.959   30.157    202.657   30.541    40.867  2.7715  38.059  3.0208  2.807919       4.099518 
1 1 1 13  4   32 o 22.580  2.5005  74.699    14.375    90.638    20.381    58.920    20.279    25.249  3.0774  19.911  3.9420  5.338099       5.000947 
1 1 1 13  4   33 o 23.473  3.5250  80.611    21.477    0.0000    0.0000    80.611    21.477    ?       ?       23.473  3.5250  ?              ?        
1 1 1 13  4   34 o 16.128  2.9045  40.210    12.661    45.979    17.883    34.411    17.928    17.359  3.9368  14.898  4.2716  2.460978       5.809083 
1 1 1 13  4   35 o 15.754  2.8934  38.293    12.677    26.451    17.537    51.250    18.345    13.181  4.3120  18.326  3.8592  -5.145056      5.786788 
1 1 1 13  4   36 o 10.592  2.8973  13.588    11.736    15.758    16.174    11.176    17.054    10.922  4.0928  10.262  4.1021  0.6599426      5.794680 
1 1 1 13  4   37 o 15.631  3.1669  40.522    13.941    40.126    19.621    40.925    19.810    15.559  4.4711  15.703  4.4864  -0.1438789     6.333860 
1 1 1 13  5   0  o 123.361 3.7663  2056.86   123.507   1785.26   176.014   2320.29   173.348   115.262 5.7013  131.460 4.9231  -16.19779      7.532679 
1 1 1 13  5   1  o 163.618 3.3341  3594.41   146.104   3631.58   206.148   3556.89   207.100   164.471 4.6795  162.765 4.7504  1.706161       6.668159 
1 1 1 13  5   2  o 59.043  1.8159  467.171   28.715    458.541   40.367    476.010   40.854    58.491  2.5766  59.595  2.5594  -1.104076      3.631742 
1 1 1 13  5   3  o 91.536  2.2506  1124.03   55.154    1160.91   77.862    1086.88   78.138    93.046  3.1242  90.026  3.2405  3.019806       4.501254 
1 1 1 13  5   4  o 201.688 4.0043  5472.18   216.298   5385.42   305.735   5559.12   306.050   200.080 5.7049  203.295 5.6205  -3.214584      8.008533 
1 1 1 13  5   5  o 292.745 5.5802  11582.95  437.549   11577.56  618.840   11588.34  618.736   292.676 7.8941  292.814 7.8890  -0.1380005     11.16035 
1 1 1 13  5   6  o 46.014  1.7649  284.665   21.669    288.704   30.693    280.651   30.597    46.341  2.4818  45.686  2.5100  0.6550369      3.529787 
1 1 1 13  5   7  o 122.233 2.7221  2005.89   89.116    2037.05   126.281   1974.97   125.780   123.181 3.8274  121.286 3.8718  1.894829       5.444258 
1 1 1 13  5   8  o 33.364  1.7128  150.060   15.173    161.808   21.625    138.668   21.294    34.664  2.3428  32.064  2.4992  2.600040       3.425601 
1 1 1 13  5   9  o 111.943 2.5360  1682.27   76.035    1666.56   107.630   1697.91   107.429   111.420 3.6065  112.466 3.5662  -1.046227      5.071947 
1 1 1 13  5   10 o 106.747 2.4484  1529.64   69.998    1556.59   99.107    1502.80   98.879    107.688 3.4360  105.807 3.4890  1.880943       4.896821 
1 1 1 13  5   11 o 78.604  2.0855  828.915   43.905    822.818   62.197    834.971   61.986    78.315  2.9651  78.893  2.9334  -0.5776978     4.170908 
1 1 1 13  5   12 o 66.198  2.0058  587.839   35.562    597.167   50.402    578.592   50.182    66.721  2.8203  65.674  2.8528  1.047112       4.011517 
1 1 1 13  5   13 f 108.347 2.5108  1576.46   72.863    1564.37   103.028   1588.56   103.060   107.930 3.5639  108.763 3.5377  -0.8333282     5.021593 
1 1 1 13  5   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  5   15 o 147.865 3.0861  2943.63   122.175   2840.07   172.434   3048.02   173.131   145.242 4.4324  150.489 4.2952  -5.247299      6.172129 
1 1 1 13  5   16 o 124.450 2.7543  2084.37   91.797    2120.58   129.672   2048.00   129.971   125.539 3.8564  123.360 3.9335  2.178909       5.508564 
1 1 1 13  5   17 o 56.914  1.9186  435.104   29.242    445.817   41.356    424.392   41.352    57.617  2.6798  56.211  2.7465  1.405437       3.837273 
1 1 1 13  5   18 o 72.985  2.1160  716.334   41.363    704.078   58.289    728.766   58.705    72.355  3.0077  73.615  2.9773  -1.260696      4.232050 
1 1 1 13  5   19 o 59.118  1.9633  470.294   31.077    482.810   43.804    457.611   44.096    59.915  2.7296  58.322  2.8228  1.593098       3.926645 
1 1 1 13  5   20 o 40.008  1.8653  216.347   19.877    217.671   28.093    215.021   28.126    40.132  2.6280  39.883  2.6479  0.2488213      3.730656 
1 1 1 13  5   21 o 54.964  1.9274  407.797   28.324    411.224   39.835    404.293   40.281    55.236  2.6925  54.692  2.7586  0.5441780      3.854776 
1 1 1 13  5   22 o 60.587  1.9961  496.295   32.359    518.755   45.574    473.460   45.954    61.985  2.7450  59.189  2.8986  2.795475       3.992126 
1 1 1 13  5   23 o 38.629  1.9152  203.130   19.639    217.116   27.593    188.772   27.958    40.009  2.5888  37.248  2.8233  2.760765       3.830466 
1 1 1 13  5   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  5   25 o 44.999  1.9130  275.475   22.948    270.515   32.216    280.583   32.696    44.586  2.7105  45.413  2.7002  -0.8274956     3.825933 
1 1 1 13  5   26 o 44.785  1.9531  273.717   23.306    278.856   32.767    268.456   33.154    45.225  2.7176  44.345  2.8058  0.8802567      3.906143 
1 1 1 13  5   27 o 40.686  1.9966  226.731   21.620    222.632   30.268    231.000   30.892    40.309  2.8212  41.062  2.8260  -0.7523766     3.993213 
1 1 1 13  5   28 o 38.713  1.9977  206.555   20.525    217.720   28.710    194.883   29.353    39.832  2.7070  37.594  2.9384  2.237705       3.995302 
1 1 1 13  5   29 o 17.346  2.5719  44.588    12.073    71.179    17.279    19.220    16.877    22.563  2.9282  12.129  4.2291  10.43362       5.143869 
1 1 1 13  5   30 o 37.969  2.0957  201.107   21.119    209.203   29.666    192.789   30.072    38.792  2.8757  37.147  3.0494  1.645153       4.191447 
1 1 1 13  5   31 o 8.2441  2.4072  1.9150    8.9687    -5.0236   12.441    9.4218    12.941    7.0154  3.1566  9.4729  3.6351  -2.457438      4.814326 
1 1 1 13  5   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  5   33 o 13.007  2.7604  24.552    11.368    10.150    16.320    38.127    15.844    10.132  4.0247  15.883  3.7791  -5.751678      5.520865 
1 1 1 13  5   34 o 28.160  2.3386  115.356   17.286    109.789   24.288    121.069   24.607    27.417  3.3789  28.903  3.2340  -1.485775      4.677108 
1 1 1 13  5   35 o 12.303  3.0327  22.270    12.295    20.544    17.626    23.905    17.159    11.994  4.3088  12.612  4.2688  -0.6184330     6.065334 
1 1 1 13  5   36 o 29.791  2.4404  132.516   19.009    117.571   26.401    148.604   27.392    27.883  3.6205  31.700  3.2732  -3.816616      4.880790 
1 1 1 13  5   37 o 18.463  2.9014  57.104    14.979    26.965    20.975    88.475    21.400    12.873  4.6895  24.053  3.4178  -11.17931      5.802780 
1 1 1 13  6   0  o 187.879 3.7087  4743.23   186.628   4766.40   263.475   4719.89   264.391   188.342 5.2228  187.416 5.2668  0.9263153      7.417360 
1 1 1 13  6   1  o 135.061 2.8037  2447.91   101.423   2449.67   142.948   2446.12   143.924   135.111 3.9500  135.011 3.9799  0.9989929E-01  5.607379 
1 1 1 13  6   2  o 134.198 2.8473  2417.71   102.322   2466.01   144.298   2368.85   145.117   135.551 3.9744  132.846 4.0783  2.704636       5.694588 
1 1 1 13  6   3  o 164.448 3.3618  3633.57   148.076   3648.53   209.138   3618.54   209.686   164.789 4.7382  164.107 4.7704  0.6822815      6.723633 
1 1 1 13  6   4  o 127.516 2.7919  2183.29   95.322    2250.11   134.806   2116.48   134.805   129.472 3.8873  125.559 4.0084  3.912460       5.583715 
1 1 1 13  6   5  o 203.532 3.9825  5575.90   217.109   5587.38   307.085   5564.42   306.991   203.742 5.6272  203.321 5.6371  0.4207916      7.965016 
1 1 1 13  6   6  o 76.976  2.0583  794.955   42.419    768.417   60.059    821.370   59.921    75.692  2.9624  78.260  2.8585  -2.568512      4.116668 
1 1 1 13  6   7  f 163.081 3.3312  3575.63   145.512   3583.59   206.010   3567.70   205.560   163.262 4.7110  162.900 4.7112  0.3624268      6.662491 
1 1 1 13  6   8  o 204.932 4.0844  5658.88   224.186   5731.72   317.357   5586.34   316.738   206.255 5.7445  203.609 5.8078  2.646088       8.168885 
1 1 1 13  6   9  o 172.266 3.4483  3992.73   159.065   4106.91   225.252   3879.15   224.655   174.733 4.8129  169.799 4.9396  4.934174       6.896608 
1 1 1 13  6   10 o 126.823 2.7308  2160.35   92.764    2153.50   131.282   2167.18   131.094   126.622 3.8709  127.025 3.8531  -0.4031525     5.461656 
1 1 1 13  6   11 f 94.200  2.3208  1191.34   58.530    1150.28   82.773    1232.41   82.773    92.573  3.3382  95.828  3.2249  -3.255066      4.641509 
1 1 1 13  6   12 o 165.389 3.3672  3681.26   149.163   3653.00   210.956   3709.51   210.941   164.751 4.7805  166.027 4.7434  -1.275589      6.734497 
1 1 1 13  6   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  6   14 o 167.137 3.4071  3764.45   152.520   3796.96   215.633   3731.91   215.758   167.863 4.7959  166.410 4.8406  1.453583       6.814106 
1 1 1 13  6   15 o 8.7831  2.2408  6.5218    7.5024    15.183    10.341    -3.1028   10.901    10.652  3.2917  6.9140  3.0414  3.738202       4.481667 
1 1 1 13  6   16 o 61.408  1.9796  506.510   32.558    498.388   45.888    514.743   46.202    60.912  2.8126  61.905  2.7864  -0.9930840     3.959152 
1 1 1 13  6   17 o 104.574 2.4672  1472.72   69.107    1467.19   97.546    1478.30   97.919    104.377 3.4891  104.771 3.4893  -0.3942108     4.934484 
1 1 1 13  6   18 o 23.626  1.9899  76.206    12.331    73.237    17.556    79.097    17.323    23.153  2.8941  24.099  2.7319  -0.9465065     3.979848 
1 1 1 13  6   19 o 87.898  2.2849  1042.66   53.762    1081.40   75.924    1003.69   76.139    89.549  3.1654  86.247  3.2959  3.302185       4.569769 
1 1 1 13  6   20 o 30.030  1.9164  123.209   15.020    147.790   21.461    99.610    21.028    33.046  2.4419  27.014  2.9543  6.032059       3.832843 
1 1 1 13  6   21 o 17.444  2.2710  42.531    10.172    34.215    14.141    51.447    14.642    15.585  3.4760  19.302  2.9236  -3.716605      4.542065 
1 1 1 13  6   22 o 8.3515  2.2850  5.5369    7.3641    9.3779    10.819    2.2213    10.052    9.2162  3.3663  7.4869  3.0906  1.729362       4.569906 
1 1 1 13  6   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  6   24 o 42.630  1.9139  247.293   21.737    250.270   30.631    244.272   30.853    42.897  2.6794  42.364  2.7336  0.5324326      3.827702 
1 1 1 13  6   25 o 35.359  1.9770  171.387   18.495    187.096   26.064    155.455   26.249    37.043  2.6443  33.675  2.9396  3.367973       3.953912 
1 1 1 13  6   26 o 9.6817  2.5325  10.288    8.7114    9.2288    12.610    11.255    12.049    9.5237  3.6041  9.8396  3.5588  -0.3159237     5.065025 
1 1 1 13  6   27 o 35.406  1.9843  172.370   18.660    173.094   26.163    171.619   26.623    35.493  2.7741  35.319  2.8381  0.1733360      3.968690 
1 1 1 13  6   28 o 11.869  2.7090  19.345    9.8625    22.051    13.823    16.539    14.076    12.485  3.7963  11.253  3.8656  1.231503       5.418066 
1 1 1 13  6   29 o 47.310  2.0694  310.524   26.090    313.017   36.646    307.961   37.152    47.522  2.8928  47.098  2.9601  0.4239006      4.138870 
1 1 1 13  6   30 o 20.949  2.6090  65.439    13.742    91.227    19.623    40.620    19.251    25.462  2.9308  16.436  4.3172  9.026154       5.218003 
1 1 1 13  6   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  6   32 o 13.662  2.7725  27.726    11.359    39.916    15.959    15.211    16.170    16.308  3.7340  11.017  4.0994  5.290884       5.545034 
1 1 1 13  6   33 o 28.345  2.3384  116.652   17.385    122.583   24.447    110.583   24.729    29.161  3.1815  27.530  3.4279  1.631706       4.676796 
1 1 1 13  6   34 o 13.543  2.9238  26.817    12.498    42.130    17.995    12.546    17.372    16.469  4.0963  10.618  4.1732  5.851170       5.847632 
1 1 1 13  6   35 o 34.173  2.3110  172.112   20.772    186.080   28.965    157.321   29.806    35.806  3.0492  32.539  3.4736  3.266796       4.622033 
1 1 1 13  6   36 o 21.491  2.8117  73.492    15.447    54.690    21.512    93.506    22.195    18.152  4.4572  24.831  3.4287  -6.678793      5.623397 
1 1 1 13  7   0  o 124.344 2.6826  2075.84   89.291    2149.97   125.945   2000.92   126.612   126.582 3.7147  122.106 3.8712  4.476524       5.365166 
1 1 1 13  7   1  o 136.912 2.8645  2516.61   105.035   2548.39   148.089   2484.44   148.999   137.785 4.0126  136.039 4.0891  1.745911       5.729069 
1 1 1 13  7   2  o 251.751 4.8375  8552.69   325.894   8968.93   460.692   8135.77   461.074   257.930 6.6684  245.572 7.0097  12.35725       9.674913 
1 1 1 13  7   3  f 177.130 3.5840  4219.28   169.984   4085.01   239.944   4354.55   240.845   174.290 5.1398  179.969 4.9963  -5.678528      7.168056 
1 1 1 13  7   4  o 194.827 3.8713  5108.27   202.017   5119.20   285.553   5097.31   285.837   195.037 5.4661  194.616 5.4834  0.4203949      7.742512 
1 1 1 13  7   5  o 174.998 3.5244  4118.78   165.189   4173.11   233.670   4064.51   233.556   176.156 4.9524  173.840 5.0159  2.316513       7.048831 
1 1 1 13  7   6  o 254.482 4.8705  8745.90   331.978   8680.25   469.575   8811.50   469.400   253.519 6.9152  255.445 6.8605  -1.926331      9.740985 
1 1 1 13  7   7  o 122.364 2.7742  2011.02   90.904    2065.63   128.811   1956.85   128.307   124.023 3.8776  120.705 3.9686  3.317642       5.548470 
1 1 1 13  7   8  o 106.655 2.4963  1527.03   71.310    1522.79   101.123   1531.21   100.574   106.507 3.5447  106.803 3.5157  -0.2961960     4.992507 
1 1 1 13  7   9  o 181.837 3.6591  4451.27   178.207   4402.17   252.173   4500.26   251.873   180.830 5.2064  182.845 5.1429  -2.015060      7.318236 
1 1 1 13  7   10 o 174.341 3.5732  4091.61   166.847   4144.15   236.177   4039.27   235.739   175.463 5.0253  173.219 5.0810  2.244278       7.146317 
1 1 1 13  7   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  7   12 o 80.059  2.1548  860.206   46.204    872.766   65.630    847.864   65.060    80.639  3.0386  79.479  3.0561  1.159744       4.309608 
1 1 1 13  7   13 o 177.695 3.5734  4257.98   170.071   4218.03   240.503   4297.93   240.529   176.855 5.0771  178.534 5.0299  -1.678528      7.146776 
1 1 1 13  7   14 o 25.176  1.9627  86.101    12.944    97.218    18.623    75.710    18.004    26.785  2.6296  23.567  2.9144  3.218563       3.925335 
1 1 1 13  7   15 o 22.663  2.0279  70.090    12.034    69.980    16.979    70.202    17.059    22.645  2.8632  22.680  2.8724  -0.3516388E-01 4.055724 
1 1 1 13  7   16 o 21.402  2.2579  63.185    12.482    70.060    17.618    56.257    17.686    22.633  2.9785  20.171  3.3941  2.462349       4.515708 
1 1 1 13  7   17 o 31.566  1.8921  135.309   15.768    120.611   22.277    150.063   22.321    29.812  2.8235  33.321  2.5196  -3.509056      3.784247 
1 1 1 13  7   18 o 25.775  1.9288  90.571    13.071    83.065    18.485    98.077    18.485    24.675  2.8493  26.875  2.6004  -2.200897      3.857532 
1 1 1 13  7   19 o 86.151  2.2732  1003.10   52.425    1040.69   74.049    965.328   74.231    87.785  3.1493  84.517  3.2791  3.267860       4.546486 
1 1 1 13  7   20 o 45.710  1.8866  282.774   22.996    280.361   32.313    285.250   32.735    45.512  2.6623  45.907  2.6738  -0.3942566     3.773207 
1 1 1 13  7   21 o 32.375  1.9274  142.863   16.495    128.977   23.251    156.934   23.405    30.753  2.8553  33.997  2.5898  -3.244164      3.854868 
1 1 1 13  7   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  7   23 o 30.748  1.9764  129.186   16.096    128.458   22.515    129.947   23.020    30.664  2.7713  30.832  2.8186  -0.1683044     3.952810 
1 1 1 13  7   24 o 67.190  2.1077  614.492   37.924    623.846   53.411    604.981   53.858    67.719  2.9447  66.662  3.0164  1.057274       4.215377 
1 1 1 13  7   25 o 27.947  2.0655  107.569   15.232    108.405   21.676    106.752   21.409    28.053  2.9279  27.840  2.9142  0.2131405      4.131005 
1 1 1 13  7   26 o 7.6294  2.1577  -1.4039   7.8791    -16.0522  11.488    11.607    10.827    5.5782  2.6746  9.6807  3.3866  -4.102508      4.315345 
1 1 1 13  7   27 o 28.024  2.1651  109.706   15.894    120.230   22.316    98.872    22.643    29.473  2.8630  26.575  3.2487  2.898485       4.330235 
1 1 1 13  7   28 o 13.590  2.7812  25.784    11.262    38.213    16.331    14.514    15.551    16.168  3.8300  11.012  4.0338  5.156046       5.562446 
1 1 1 13  7   29 o 17.197  2.7531  43.700    12.390    41.371    17.653    45.962    17.394    16.702  3.9989  17.692  3.7850  -0.9898930     5.506154 
1 1 1 13  7   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  7   31 o 35.765  2.1563  181.500   20.450    174.555   28.686    188.678   29.161    35.040  3.0880  36.490  3.0105  -1.449944      4.312601 
1 1 1 13  7   32 o 30.366  2.3035  133.745   18.200    153.498   25.602    113.564   25.878    32.863  2.9396  27.868  3.5472  4.995193       4.606993 
1 1 1 13  7   33 o 11.081  2.9061  15.923    11.481    14.969    16.413    16.837    16.064    10.929  4.1176  11.233  4.1021  -0.3037062     5.812206 
1 1 1 13  7   34 o 9.0201  2.4791  1.6588    10.108    -15.3931  13.991    20.277    14.620    6.3223  3.0094  11.718  3.9405  -5.395611      4.958211 
1 1 1 13  7   35 o 9.2103  2.6927  6.1127    11.068    -0.2799   15.786    12.293    15.521    8.3070  3.6569  10.114  3.9535  -1.806774      5.385436 
1 1 1 13  8   0  o 167.566 3.3652  3775.19   150.936   3924.27   213.102   3625.11   213.811   170.900 4.6554  164.232 4.8605  6.667374       6.730322 
1 1 1 13  8   1  o 92.032  2.2255  1138.21   54.732    1221.46   77.129    1053.78   77.679    95.434  3.0174  88.630  3.2721  6.803558       4.450982 
1 1 1 13  8   2  o 191.973 3.8034  4959.02   195.557   5017.76   276.086   4899.87   277.035   193.121 5.3373  190.826 5.4201  2.295715       7.606892 
1 1 1 13  8   3  o 184.685 3.7069  4589.15   183.334   4477.25   258.800   4701.87   259.750   182.416 5.2968  186.953 5.1872  -4.537598      7.413714 
1 1 1 13  8   4  o 196.397 3.9030  5192.84   205.316   5167.14   290.155   5218.62   290.566   195.909 5.5295  196.886 5.5099  -0.9771729     7.806047 
1 1 1 13  8   5  o 66.081  1.9596  585.612   34.683    588.701   49.045    582.523   49.054    66.256  2.7637  65.907  2.7788  0.3490295      3.919105 
1 1 1 13  8   6  o 137.489 2.9347  2539.83   108.056   2487.67   152.816   2592.00   152.812   136.073 4.1928  138.906 4.1072  -2.832794      5.869357 
1 1 1 13  8   7  o 207.476 4.0687  5801.52   226.052   5659.12   319.707   5943.87   319.666   204.914 5.8249  210.038 5.6821  -5.124023      8.137327 
1 1 1 13  8   8  o 69.050  2.0690  639.573   38.266    643.918   54.328    635.294   53.907    69.283  2.9276  68.818  2.9245  0.4653702      4.138070 
1 1 1 13  8   9  o 79.774  2.8159  873.136   55.324    901.585   67.078    812.612   97.838    81.971  3.0551  77.577  4.7311  4.394569       5.631805 
1 1 1 13  8   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  8   11 o 76.887  2.1492  793.474   44.260    796.495   62.781    790.489   62.406    77.033  3.0427  76.742  3.0360  0.2905960      4.298335 
1 1 1 13  8   12 o 146.456 3.0804  2887.76   120.834   2919.86   171.013   2855.76   170.758   147.273 4.3353  145.640 4.3774  1.633011       6.160842 
1 1 1 13  8   13 o 115.989 2.6222  1810.04   81.450    1851.45   115.267   1768.75   115.110   117.319 3.6681  114.658 3.7482  2.661324       5.244431 
1 1 1 13  8   14 o 64.050  2.0307  551.920   34.754    597.602   49.256    506.629   49.044    66.701  2.7570  61.399  2.9822  5.301926       4.061325 
1 1 1 13  8   15 o 130.531 2.8674  2299.41   100.250   2284.97   141.749   2313.86   141.800   130.118 4.0672  130.944 4.0430  -0.8260345     5.734773 
1 1 1 13  8   16 f 102.724 2.4648  1422.90   67.817    1423.47   95.921    1422.34   95.895    102.744 3.4855  102.703 3.4860  0.4112244E-01  4.929581 
1 1 1 13  8   17 o 51.189  1.9042  353.635   26.012    362.911   36.923    344.497   36.650    51.861  2.6671  50.517  2.7186  1.343945       3.808483 
1 1 1 13  8   18 o 77.145  2.1466  803.226   44.354    793.112   62.596    813.424   62.857    76.654  3.0487  77.635  3.0228  -0.9805374     4.293261 
1 1 1 13  8   19 o 46.655  1.9129  294.642   23.801    296.465   33.731    292.834   33.588    46.799  2.7024  46.510  2.7079  0.2894516      3.825722 
1 1 1 13  8   20 o 49.472  1.9461  331.972   25.654    350.754   36.318    313.265   36.244    50.890  2.6737  48.053  2.8285  2.836971       3.892185 
1 1 1 13  8   21 o 72.229  3.0179  707.456   58.385    0.0000    0.0000    707.456   58.385    ?       ?       72.229  3.0179  ?              ?        
1 1 1 13  8   22 o 27.216  2.0867  102.539   14.709    83.064    20.766    122.151   20.839    24.503  3.2438  29.930  2.6259  -5.427258      4.173434 
1 1 1 13  8   23 o 39.816  1.9628  216.219   20.801    218.377   29.407    214.057   29.427    40.020  2.7602  39.612  2.7913  0.4075508      3.925573 
1 1 1 13  8   24 o 33.981  2.0196  159.194   18.033    182.486   25.471    135.787   25.534    36.566  2.6179  31.396  3.0759  5.170532       4.039154 
1 1 1 13  8   25 o 14.946  2.6332  32.159    10.530    35.260    14.760    28.945    15.027    15.684  3.5910  14.207  3.8521  1.476309       5.266321 
1 1 1 13  8   26 o 11.620  2.7217  18.018    9.8997    20.824    14.311    15.443    13.709    12.253  3.8852  10.986  3.8127  1.267136       5.443427 
1 1 1 13  8   27 o 12.120  2.8339  19.696    10.775    24.753    15.856    15.357    14.688    13.178  4.0765  11.062  3.9376  2.116570       5.667725 
1 1 1 13  8   28 o 24.355  2.3470  84.384    14.763    98.435    21.245    71.261    20.531    26.452  3.0547  22.258  3.5641  4.194309       4.693992 
1 1 1 13  8   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  8   30 o 10.425  2.7240  12.656    10.361    6.2784    14.801    18.783    14.508    9.2605  3.7780  11.590  3.9253  -2.329333      5.448087 
1 1 1 13  8   31 o 20.872  2.6263  64.684    14.133    67.064    19.801    62.213    20.177    21.335  3.5927  20.409  3.8318  0.9257469      5.252673 
1 1 1 13  8   32 o 12.801  2.7117  22.415    11.758    2.2686    16.894    41.343    16.375    9.0724  3.8887  16.530  3.7806  -7.457547      5.423499 
1 1 1 13  8   33 o 10.078  2.8000  10.997    11.064    9.4357    15.377    12.673    15.930    9.7560  3.8969  10.400  4.0218  -0.6442814     5.600072 
1 1 1 13  8   34 o 10.311  2.8713  12.320    11.649    13.979    16.860    10.804    16.114    10.628  4.1298  9.9940  3.9901  0.6336002      5.742509 
1 1 1 13  9   0  o 46.715  1.7599  294.132   21.839    329.312   30.877    258.909   30.895    49.566  2.3257  43.865  2.6419  5.701443       3.519717 
1 1 1 13  9   1  o 143.837 3.0200  2783.78   116.090   2989.61   163.864   2576.36   164.491   149.201 4.1004  138.473 4.4349  10.72813       6.040002 
1 1 1 13  9   2  o 239.379 4.6337  7730.29   297.100   7686.79   419.587   7774.03   420.741   238.701 6.5627  240.057 6.5435  -1.355927      9.267481 
1 1 1 13  9   3  o 113.939 2.5631  1742.77   78.214    1763.18   110.332   1722.15   110.893   114.612 3.5941  113.266 3.6552  1.345650       5.126220 
1 1 1 13  9   4  o 118.341 2.6385  1880.23   83.623    1841.65   117.964   1919.20   118.560   117.118 3.7604  119.563 3.7021  -2.444931      5.276984 
1 1 1 13  9   5  o 126.287 2.7415  2141.72   92.733    2135.25   131.060   2148.20   131.229   126.095 3.8805  126.478 3.8737  -0.3823700     5.483014 
1 1 1 13  9   6  o 103.254 2.4751  1431.70   68.402    1497.35   96.840    1366.34   96.630    105.623 3.4230  100.886 3.5759  4.736404       4.950188 
1 1 1 13  9   7  f 215.280 4.2258  6252.24   243.527   6004.17   344.262   6500.70   344.538   210.976 6.0921  219.585 5.8579  -8.609650      8.451575 
1 1 1 13  9   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  9   9  o 122.843 2.7557  2027.93   90.671    2022.80   128.448   2033.02   128.011   122.687 3.9088  122.999 3.8856  -0.3118591     5.511456 
1 1 1 13  9   10 o 75.540  2.1401  766.084   43.295    754.789   61.411    777.247   61.049    74.985  3.0576  76.095  2.9952  -1.110962      4.280241 
1 1 1 13  9   11 o 82.156  2.1965  906.541   48.331    897.389   68.526    915.599   68.176    81.742  3.1298  82.570  3.0826  -0.8287354     4.392997 
1 1 1 13  9   12 o 202.703 4.0331  5564.27   218.973   5581.06   309.866   5547.52   309.484   203.011 5.6986  202.396 5.7088  0.6150513      8.066257 
1 1 1 13  9   13 o 188.184 3.8026  4798.42   191.659   4746.69   271.047   4850.14   271.047   187.158 5.4069  189.211 5.3482  -2.052399      7.605126 
1 1 1 13  9   14 f 41.162  1.9004  228.573   20.829    237.795   29.759    219.716   29.163    41.983  2.6602  40.342  2.7146  1.640343       3.800770 
1 1 1 13  9   15 o 81.033  2.1914  884.473   47.551    861.299   67.251    907.640   67.243    79.966  3.1398  82.101  3.0578  -2.135094      4.382773 
1 1 1 13  9   16 o 120.081 2.6967  1951.06   86.724    1986.06   122.731   1916.16   122.562   121.166 3.7817  118.995 3.8454  2.171486       5.393303 
1 1 1 13  9   17 o 7.1003  2.0569  1.1054    6.5342    -4.5188   9.4613    6.2343    9.0350    6.1487  2.7608  8.0519  3.0498  -1.903142      4.113855 
1 1 1 13  9   18 o 18.898  2.2848  50.757    10.826    71.275    15.566    31.533    15.068    22.848  2.5893  14.949  3.7652  7.898918       4.569581 
1 1 1 13  9   19 o 27.494  3.7569  104.744   26.942    104.744   26.942    0.0000    0.0000    27.494  3.7569  ?       ?       ?              ?        
1 1 1 13  9   20 o 60.881  2.0296  501.988   33.089    514.669   46.857    489.375   46.732    61.655  2.8373  60.106  2.9028  1.549366       4.059131 
1 1 1 13  9   21 o 26.418  2.0444  95.749    14.228    94.123    20.111    97.379    20.132    26.185  2.9170  26.651  2.8652  -0.4654312     4.088823 
1 1 1 13  9   22 o 38.696  1.9579  204.214   20.159    204.448   28.455    203.978   28.564    38.721  2.7618  38.672  2.7760  0.4845047E-01  3.915839 
1 1 1 13  9   23 o 45.062  1.9907  277.496   23.878    293.139   33.818    261.943   33.720    46.358  2.7356  43.766  2.8928  2.592358       3.981493 
1 1 1 13  9   24 o 55.067  2.0387  415.180   29.959    404.718   42.161    425.850   42.579    54.355  2.9064  55.779  2.8596  -1.424419      4.077306 
1 1 1 13  9   25 o 33.352  2.0825  153.877   18.381    162.781   25.951    144.912   26.040    34.362  2.8451  32.342  3.0417  2.020348       4.164927 
1 1 1 13  9   26 o 34.930  2.1159  169.467   19.600    173.193   27.650    165.706   27.787    35.336  2.9483  34.524  3.0358  0.8127632      4.231851 
1 1 1 13  9   27 o 18.872  2.6256  51.831    12.797    54.912    18.146    48.784    18.048    19.480  3.6109  18.263  3.8127  1.216135       5.251157 
1 1 1 13  9   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  9   29 o 12.270  2.8203  20.820    11.148    30.348    15.762    11.283    15.769    14.231  3.9796  10.309  3.9973  3.922567       5.640506 
1 1 1 13  9   30 o 7.1357  2.2669  -7.1371   9.4177    -16.3044  13.435    1.7201    13.205    6.1341  2.9279  8.1374  3.4616  -2.003237      4.533768 
1 1 1 13  9   31 o 10.226  2.7583  10.630    11.075    1.0139    16.015    19.444    15.333    8.7205  3.7625  11.732  4.0343  -3.011086      5.516537 
1 1 1 13  9   32 f 11.982  2.9210  19.063    12.188    31.538    17.347    6.9003    17.128    14.249  4.2349  9.7139  4.0241  4.535358       5.841916 
1 1 1 13  9   33 o 7.6267  2.3967  -3.3083   10.018    2.4361    13.845    -9.6208   14.514    8.2695  3.5318  6.9838  3.2409  1.285748       4.793431 
1 1 1 13  10  0  o 65.517  1.9017  575.565   33.372    569.100   47.082    582.091   47.309    65.147  2.6982  65.887  2.6807  -0.7398834     3.803486 
1 1 1 13  10  1  o 87.321  2.1519  1022.86   50.324    1027.75   70.773    1017.86   71.572    87.533  3.0186  87.109  3.0676  0.4241180      4.303736 
1 1 1 13  10  2  o 126.147 2.7636  2137.15   93.367    2163.71   131.632   2110.27   132.454   126.939 3.8715  125.356 3.9449  1.583565       5.527237 
1 1 1 13  10  3  o 136.160 2.8926  2490.30   105.480   2438.68   148.699   2542.59   149.648   134.737 4.1203  137.584 4.0608  -2.846588      5.785113 
1 1 1 13  10  4  o 151.850 3.1770  3100.65   129.115   2949.97   182.181   3252.71   183.014   148.129 4.5917  155.570 4.3921  -7.440643      6.354056 
1 1 1 13  10  5  o 166.435 6.7464  3741.93   300.752   3741.93   300.752   0.0000    0.0000    166.435 6.7464  ?       ?       ?              ?        
1 1 1 13  10  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  10  7  o 103.536 2.4538  1439.41   68.045    1424.06   96.282    1454.72   96.180    102.983 3.4905  104.089 3.4498  -1.105942      4.907619 
1 1 1 13  10  8  o 144.907 3.0870  2825.11   119.805   2784.62   169.557   2865.47   169.302   143.865 4.4002  145.949 4.3308  -2.083893      6.173950 
1 1 1 13  10  9  o 53.078  1.9441  378.979   27.536    393.041   39.269    365.376   38.623    54.052  2.7211  52.105  2.7775  1.947208       3.888257 
1 1 1 13  10  10 o 76.459  2.1452  785.109   43.930    794.951   62.397    775.436   61.861    76.934  3.0280  75.983  3.0395  0.9510345      4.290389 
1 1 1 13  10  11 o 179.005 3.6663  4334.04   175.753   4241.14   248.729   4426.67   248.375   177.070 5.2444  180.941 5.1248  -3.871979      7.332637 
1 1 1 13  10  12 o 132.522 2.9096  2369.02   103.275   2389.90   146.258   2348.26   145.850   133.107 4.1023  131.937 4.1272  1.170547       5.819149 
1 1 1 13  10  13 o 86.521  2.2634  1007.91   52.445    989.193   74.279    1026.52   74.057    85.715  3.2353  87.328  3.1661  -1.612183      4.526767 
1 1 1 13  10  14 o 60.217  1.9792  488.060   31.900    511.435   45.268    465.000   44.961    61.656  2.7411  58.779  2.8558  2.877018       3.958444 
1 1 1 13  10  15 o 60.355  1.9838  490.699   32.069    489.084   45.542    492.287   45.167    60.255  2.8218  60.456  2.7893  -0.2010231     3.967695 
1 1 1 13  10  16 o 29.220  1.9313  116.175   14.926    112.595   21.313    119.620   20.909    28.762  2.8021  29.677  2.6585  -0.9146862     3.862584 
1 1 1 13  10  17 o 22.870  2.0732  72.244    12.273    61.718    17.408    82.647    17.306    21.130  3.1740  24.610  2.6681  -3.479815      4.146441 
1 1 1 13  10  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  10  19 o 64.426  2.0411  562.160   35.218    572.284   49.870    552.088   49.743    65.010  2.8640  63.841  2.9090  1.168545       4.082232 
1 1 1 13  10  20 o 13.777  2.4573  26.721    9.6556    13.234    13.651    40.224    13.659    10.606  3.7939  16.948  3.1240  -6.341520      4.914584 
1 1 1 13  10  21 o 34.266  1.9823  160.413   18.033    158.998   25.517    161.825   25.489    34.111  2.8181  34.422  2.7886  -0.3109741     3.964549 
1 1 1 13  10  22 o 6.6156  2.0586  -4.6661   7.3608    2.2847    10.554    -11.2481  10.271    7.6321  3.1600  5.5992  2.6392  2.032898       4.117184 
1 1 1 13  10  23 o 29.755  2.0792  122.039   16.348    126.292   23.348    117.947   22.899    30.275  2.9153  29.234  2.9654  1.040915       4.158419 
1 1 1 13  10  24 o 26.107  2.1927  94.954    15.026    97.377    21.183    92.499    21.319    26.465  3.0437  25.749  3.1572  0.7154884      4.385468 
1 1 1 13  10  25 o 18.887  2.6372  53.908    13.032    24.722    18.440    83.034    18.421    13.359  4.4241  24.416  2.8716  -11.05727      5.274360 
1 1 1 13  10  26 o 20.384  2.5393  59.982    13.333    65.432    18.909    54.592    18.804    21.392  3.4149  19.376  3.7590  2.016174       5.078528 
1 1 1 13  10  27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  10  28 o 30.628  2.2421  133.537   18.034    147.781   25.619    119.546   25.390    32.360  2.9895  28.896  3.3422  3.464527       4.484152 
1 1 1 13  10  29 o 10.950  2.6901  11.468    11.045    29.686    16.248    -4.1833   15.060    14.042  4.0784  7.8580  3.5089  6.183956       5.380167 
1 1 1 13  10  30 o 9.2683  2.6258  5.2179    10.634    -6.1214   15.578    15.112    14.551    7.7556  3.5069  10.781  3.9091  -3.025343      5.251626 
1 1 1 13  10  31 o 20.774  2.8564  66.976    15.252    90.269    21.736    44.384    21.406    24.844  3.3519  16.703  4.6261  8.141497       5.712782 
1 1 1 13  10  32 o 22.577  2.7258  77.858    15.870    71.844    22.153    84.197    22.747    21.576  3.9799  23.578  3.7255  -2.002089      5.451550 
1 1 1 13  11  0  o 189.281 3.7393  4824.93   189.408   5049.20   267.510   4599.47   268.218   193.718 5.1556  184.845 5.4174  8.873123       7.478557 
1 1 1 13  11  1  o 87.307  2.1864  1022.80   51.119    1037.86   71.907    1007.41   72.684    87.959  3.0521  86.655  3.1315  1.303856       4.372879 
1 1 1 13  11  2  o 139.712 3.7310  2637.40   130.223   2655.47   158.203   2599.41   229.332   140.586 4.2013  138.837 6.1669  1.749161       7.462030 
1 1 1 13  11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  11  4  o 110.305 3.2808  1667.74   89.653    1558.64   157.350   1720.18   109.092   107.422 5.4870  113.188 3.5984  -5.765755      6.561653 
1 1 1 13  11  5  o 107.144 2.5206  1541.73   72.328    1568.77   102.223   1514.63   102.351   108.088 3.5309  106.201 3.5981  1.886696       5.041193 
1 1 1 13  11  6  o 136.186 2.9374  2494.26   107.110   2418.25   151.435   2570.34   151.517   134.101 4.2160  138.270 4.0911  -4.169296      5.874720 
1 1 1 13  11  7  o 32.610  1.8967  143.821   16.390    134.569   23.215    153.015   23.143    31.546  2.7757  33.674  2.5856  -2.127678      3.793382 
1 1 1 13  11  8  o 219.096 4.3148  6499.04   253.206   6447.74   358.230   6550.25   357.945   218.222 6.1288  219.970 6.0752  -1.748840      8.629639 
1 1 1 13  11  9  o 89.655  2.2823  1080.28   54.806    1080.16   77.664    1080.40   77.353    89.649  3.2343  89.660  3.2210  -0.1126862E-01 4.564619 
1 1 1 13  11  10 o 95.131  2.3853  1217.47   60.756    1261.14   86.250    1174.47   85.598    96.830  3.3255  93.432  3.4204  3.398163       4.770566 
1 1 1 13  11  11 o 23.823  2.1034  77.462    13.106    77.952    19.134    77.030    17.988    23.882  3.0617  23.765  2.8850  0.1167870      4.206832 
1 1 1 13  11  12 o 47.648  1.9199  306.425   24.386    296.099   34.630    316.582   34.347    46.842  2.7724  48.455  2.6566  -1.613182      3.839762 
1 1 1 13  11  13 o 37.544  1.8948  190.788   18.907    181.810   26.853    199.615   26.626    36.653  2.7555  38.436  2.6016  -1.782986      3.789585 
1 1 1 13  11  14 o 73.112  2.1371  720.908   41.844    737.697   59.398    704.367   58.957    73.961  2.9983  72.262  3.0460  1.698128       4.274137 
1 1 1 13  11  15 o 23.902  2.0564  78.244    12.873    77.698    18.694    78.737    17.751    23.805  2.9984  23.999  2.8150  -0.1938610     4.112708 
1 1 1 13  11  16 o 29.459  2.7124  120.923   18.771    122.346   22.303    117.467   34.760    29.970  2.8111  28.949  4.6396  1.021744       5.424833 
1 1 1 13  11  17 o 43.543  2.7528  257.258   31.941    0.0000    0.0000    257.258   31.941    ?       ?       43.543  2.7528  ?              ?        
1 1 1 13  11  18 o 52.153  1.9732  369.108   27.462    374.742   38.967    363.547   38.710    52.552  2.7782  51.753  2.8029  0.7990799      3.946497 
1 1 1 13  11  19 o 62.420  2.0600  528.655   34.431    513.708   48.685    543.611   48.701    61.526  2.9543  63.315  2.8717  -1.788261      4.120019 
1 1 1 13  11  20 o 46.327  2.0175  292.696   24.864    315.410   35.378    270.526   34.951    48.138  2.7553  44.517  2.9479  3.621323       4.035048 
1 1 1 13  11  21 o 9.7467  2.5170  10.132    8.7182    15.005    12.569    5.6134    12.103    10.792  3.6536  8.7012  3.4630  2.091115       5.034000 
1 1 1 13  11  22 o 58.149  2.0652  462.740   32.070    437.644   45.241    488.086   45.467    56.493  3.0006  59.804  2.8384  -3.310455      4.130393 
1 1 1 13  11  23 o 15.279  2.7390  33.810    11.279    29.246    15.971    38.351    15.930    14.253  4.0131  16.304  3.7288  -2.051390      5.478046 
1 1 1 13  11  24 o 16.622  2.6707  40.305    11.952    57.127    17.165    24.474    16.651    20.060  3.3101  13.183  4.1920  6.876727       5.341318 
1 1 1 13  11  25 o 15.455  2.8466  34.832    12.084    44.516    17.605    26.205    16.615    17.426  3.8723  13.485  4.1733  3.940828       5.693135 
1 1 1 13  11  26 o 17.977  3.8953  47.756    18.214    0.0000    0.0000    47.756    18.214    ?       ?       17.977  3.8953  ?              ?        
1 1 1 13  11  27 o 52.526  2.1417  387.655   29.997    377.100   42.226    398.407   42.621    51.778  3.0583  53.274  2.9991  -1.495476      4.283431 
1 1 1 13  11  28 o 11.271  2.8384  16.316    11.068    9.9277    15.739    22.565    15.567    10.058  3.9661  12.484  4.0615  -2.425966      5.676739 
1 1 1 13  11  29 o 16.413  2.9206  41.167    13.041    51.324    18.555    31.251    18.333    18.492  3.8704  14.333  4.3750  4.158630       5.841280 
1 1 1 13  11  30 f 9.4784  2.6768  5.5899    11.053    -6.2893   15.834    16.880    15.436    7.7734  3.5234  11.183  4.0307  -3.409946      5.353530 
1 1 1 13  11  31 o 13.072  2.9228  25.238    12.420    11.189    17.637    39.060    17.494    10.379  4.1636  15.765  4.1032  -5.386144      5.845637 
1 1 1 13  12  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  12  1  o 170.645 4.1167  3873.77   178.262   4084.83   309.425   3768.92   218.091   173.913 6.6425  167.378 4.8646  6.535049       8.233363 
1 1 1 13  12  2  o 123.375 2.7126  2044.83   89.625    2073.12   126.276   2016.12   127.226   124.239 3.7947  122.511 3.8771  1.727402       5.425118 
1 1 1 13  12  3  o 91.964  2.3029  1135.12   56.721    1115.01   79.852    1155.61   80.584    91.141  3.2710  92.787  3.2424  -1.646301      4.605739 
1 1 1 13  12  4  o 120.939 2.7102  1965.40   87.790    1947.87   123.914   1983.07   124.395   120.396 3.8425  121.481 3.8230  -1.085098      5.420380 
1 1 1 13  12  5  o 53.112  1.9135  379.392   27.107    349.886   38.196    409.332   38.476    50.985  2.8078  55.238  2.6005  -4.252438      3.827034 
1 1 1 13  12  6  o 75.347  2.1248  762.279   42.878    751.774   60.570    772.831   60.708    74.825  3.0222  75.868  2.9874  -1.042961      4.249518 
1 1 1 13  12  7  o 82.233  2.1874  908.461   48.180    912.206   68.151    904.718   68.123    82.403  3.0877  82.063  3.0993  0.3398972      4.374891 
1 1 1 13  12  8  o 72.389  2.1162  704.091   41.031    712.425   58.211    695.861   57.843    72.815  2.9847  71.962  3.0009  0.8527603      4.232466 
1 1 1 13  12  9  o 32.584  1.9560  143.728   16.898    149.318   23.905    138.144   23.891    33.229  2.7094  31.939  2.8217  1.289841       3.911933 
1 1 1 13  12  10 o 55.535  1.9953  415.286   29.611    432.198   42.051    398.653   41.703    56.699  2.7689  54.372  2.8737  2.327793       3.990633 
1 1 1 13  12  11 o 86.376  2.2963  1005.38   53.126    1013.62   75.376    997.242   74.889    86.728  3.2448  86.024  3.2502  0.7043915      4.592632 
1 1 1 13  12  12 o 116.747 2.6953  1844.07   84.278    1824.28   119.407   1863.71   118.970   116.115 3.8393  117.380 3.7840  -1.265404      5.390657 
1 1 1 13  12  13 o 16.164  2.4122  36.631    10.119    33.234    14.189    40.148    14.436    15.373  3.5216  16.954  3.2976  -1.581754      4.824462 
1 1 1 13  12  14 o 53.798  1.9896  391.570   28.569    395.021   40.633    388.197   40.175    54.032  2.8174  53.564  2.8101  0.4683914      3.979191 
1 1 1 13  12  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  12  16 f 10.944  2.4915  15.279    8.5159    21.349    12.337    9.7548    11.769    12.380  3.5416  9.5080  3.5053  2.872492       4.982971 
1 1 1 13  12  17 o 47.224  1.9759  302.927   24.878    299.877   35.353    305.919   35.014    46.981  2.8225  47.467  2.7660  -0.4856834     3.951859 
1 1 1 13  12  18 o 14.540  2.6206  29.509    10.430    39.371    15.302    20.951    14.254    16.683  3.5344  12.396  3.8702  4.286459       5.241194 
1 1 1 13  12  19 o 72.990  2.2023  725.640   43.049    742.526   61.107    709.003   60.656    73.843  3.0896  72.137  3.1392  1.705498       4.404565 
1 1 1 13  12  20 o 6.6878  2.1050  -3.8634   7.5793    -4.2060   11.183    -3.5723   10.308    6.7990  3.0308  6.5767  2.9220  0.2222400      4.209948 
1 1 1 13  12  21 o 22.987  2.2720  73.797    13.604    73.285    19.392    74.292    19.088    22.895  3.2538  23.078  3.1719  -0.1830044     4.543978 
1 1 1 13  12  22 o 7.2237  2.1779  -5.8937   8.2334    7.9613    12.103    -17.8280  11.233    9.1183  3.5114  5.3292  2.5774  3.789061       4.355731 
1 1 1 13  12  23 o 30.185  2.1558  126.998   17.161    119.341   24.266    134.659   24.272    29.227  3.1495  31.143  2.9447  -1.915409      4.311697 
1 1 1 13  12  24 o 31.520  3.0870  139.105   25.728    139.105   25.728    0.0000    0.0000    31.520  3.0870  ?       ?       ?              ?        
1 1 1 13  12  25 f 28.572  2.2596  115.487   16.963    123.863   24.212    107.412   23.772    29.646  3.0947  27.497  3.2932  2.149052       4.519125 
1 1 1 13  12  26 o 33.799  2.2104  161.704   19.735    149.991   27.881    173.466   27.939    32.493  3.2470  35.106  3.0001  -2.612339      4.420800 
1 1 1 13  12  27 o 20.294  2.7158  61.052    14.211    66.333    20.219    55.896    19.978    21.255  3.6850  19.333  3.9903  1.922234       5.431568 
1 1 1 13  12  28 o 8.6428  2.5306  2.0174    10.031    11.235    14.431    -6.5999   13.953    10.032  3.8413  7.2533  3.2953  2.779143       5.061118 
1 1 1 13  12  29 o 29.647  2.3792  127.670   18.557    125.283   26.078    130.119   26.412    29.355  3.3784  29.940  3.3511  -0.5851994     4.758463 
1 1 1 13  12  30 o 23.110  2.6905  81.283    15.960    91.875    22.472    70.502    22.671    24.885  3.4654  21.334  4.1166  3.551207       5.380994 
1 1 1 13  13  0  o 138.597 2.9309  2582.45   108.770   2643.02   153.391   2521.20   154.261   140.239 4.0836  136.954 4.2052  3.284515       5.861726 
1 1 1 13  13  1  f 138.467 2.9276  2578.54   108.526   2658.55   153.040   2497.60   153.922   140.638 4.0627  136.296 4.2163  4.342651       5.855114 
1 1 1 13  13  2  o 111.513 2.5242  1670.27   75.387    1638.23   106.121   1702.91   107.113   110.432 3.5877  112.595 3.5517  -2.162369      5.048386 
1 1 1 13  13  3  o 30.043  1.9561  122.184   15.408    144.216   22.263    101.931   21.346    32.688  2.5634  27.399  2.9554  5.288496       3.912198 
1 1 1 13  13  4  o 41.422  1.8940  231.397   20.861    248.390   29.620    214.671   29.386    42.947  2.5870  39.897  2.7669  3.049950       3.787935 
1 1 1 13  13  5  o 163.246 3.3935  3595.85   148.374   3635.39   209.715   3556.23   209.949   164.152 4.7697  162.340 4.8284  1.811630       6.787016 
1 1 1 13  13  6  f 72.725  2.1004  710.785   40.894    683.004   57.735    738.753   57.930    71.295  3.0234  74.156  2.9165  -2.861191      4.200847 
1 1 1 13  13  7  o 59.257  2.0045  472.627   31.730    497.237   44.966    448.218   44.781    60.836  2.7595  57.677  2.9080  3.159084       4.008947 
1 1 1 13  13  8  o 67.459  2.0823  612.107   37.613    630.385   53.225    593.874   53.160    68.470  2.9022  66.449  2.9868  2.020287       4.164588 
1 1 1 13  13  9  o 64.768  2.0656  564.456   35.834    567.084   50.849    561.862   50.506    64.918  2.9244  64.619  2.9181  0.2988815      4.131240 
1 1 1 13  13  10 o 36.548  1.9443  180.867   18.841    197.610   26.879    164.693   26.419    38.236  2.6407  34.861  2.8544  3.375427       3.888516 
1 1 1 13  13  11 o 44.348  1.9254  266.123   22.734    252.571   32.247    279.513   32.054    43.209  2.8014  45.488  2.6422  -2.279243      3.850899 
1 1 1 13  13  12 o 78.972  2.2110  842.409   46.766    856.321   66.411    828.725   65.866    79.622  3.1140  78.323  3.1397  1.298950       4.422079 
1 1 1 13  13  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  13  14 o 69.751  2.1391  658.340   39.963    664.220   56.826    652.587   56.211    70.058  3.0283  69.444  3.0220  0.6147079      4.278241 
1 1 1 13  13  15 o 46.483  1.9693  293.201   24.404    294.696   34.782    291.751   34.249    46.597  2.7998  46.369  2.7703  0.2279472      3.938689 
1 1 1 13  13  16 o 53.890  2.0229  394.644   29.068    366.536   41.222    422.444   40.996    51.911  2.9772  55.870  2.7395  -3.959007      4.045785 
1 1 1 13  13  17 o 40.237  2.0116  220.568   21.518    234.036   30.759    207.659   30.114    41.460  2.7860  39.015  2.9025  2.444763       4.023181 
1 1 1 13  13  18 o 60.652  2.1039  501.115   34.102    522.154   48.493    480.531   47.966    61.966  2.9217  59.339  3.0280  2.627392       4.207779 
1 1 1 13  13  19 o 42.423  2.0313  246.177   22.942    249.445   32.818    243.053   32.085    42.696  2.8867  42.151  2.8587  0.5443840      4.062675 
1 1 1 13  13  20 o 14.744  2.6962  31.238    11.041    21.076    15.632    41.353    15.596    12.467  4.0707  17.020  3.5365  -4.553049      5.392395 
1 1 1 13  13  21 o 22.864  2.3977  73.735    14.226    72.376    20.427    75.015    19.824    22.626  3.4823  23.103  3.2970  -0.4772854     4.795481 
1 1 1 13  13  22 o 20.939  2.5263  62.681    13.656    62.709    19.547    62.654    19.087    20.927  3.6180  20.950  3.5268  -0.2223206E-01 5.052586 
1 1 1 13  13  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  13  24 o 17.780  2.7550  46.549    12.763    51.913    18.502    41.680    17.628    18.806  3.8039  16.754  3.9862  2.051996       5.510002 
1 1 1 13  13  25 o 9.0866  2.5961  6.2325    9.7897    7.8049    13.899    4.6845    13.791    9.3659  3.7163  8.8073  3.6261  0.5586548      5.192238 
1 1 1 13  13  26 o 15.975  2.9132  38.703    12.814    28.527    18.222    48.657    18.022    13.863  4.3829  18.086  3.8389  -4.223325      5.826441 
1 1 1 13  13  27 o 15.585  3.0036  37.405    13.177    27.856    19.136    46.015    18.172    13.702  4.5054  17.468  3.9735  -3.765932      6.007269 
1 1 1 13  13  28 o 20.578  2.8349  64.177    15.063    63.705    21.401    64.640    21.204    20.481  4.0448  20.675  3.9732  -0.1947441     5.669810 
1 1 1 13  13  29 o 30.503  2.4118  137.328   19.254    124.497   27.415    149.818   27.048    28.912  3.6195  32.094  3.1887  -3.182354      4.823697 
1 1 1 13  14  0  o 164.261 3.3921  3637.87   149.060   3836.02   210.489   3438.53   211.118   168.780 4.6561  159.743 4.9342  9.037384       6.784173 
1 1 1 13  14  1  o 130.702 2.8422  2299.12   99.446    2376.24   140.227   2221.10   141.051   132.919 3.9387  128.485 4.0986  4.434677       5.684370 
1 1 1 13  14  2  o 108.942 2.5566  1596.38   74.571    1641.80   105.118   1550.38   105.803   110.509 3.5513  107.374 3.6788  3.135788       5.113278 
1 1 1 13  14  3  o 155.307 3.2833  3254.08   136.559   3310.23   192.764   3197.51   193.486   156.664 4.5938  153.950 4.6923  2.713837       6.566578 
1 1 1 13  14  4  o 154.932 3.2492  3239.96   134.830   3192.54   190.269   3287.79   191.090   153.787 4.6191  156.077 4.5710  -2.289871      6.498488 
1 1 1 13  14  5  o 27.713  2.0400  104.813   14.782    89.862    20.866    119.876   20.944    25.668  3.0975  29.757  2.6556  -4.088972      4.080076 
1 1 1 13  14  6  o 35.157  1.8824  166.992   17.588    161.130   24.678    173.044   25.074    34.524  2.6900  35.791  2.6341  -1.267365      3.764896 
1 1 1 13  14  7  f 72.977  2.1511  717.563   41.972    666.863   59.262    768.590   59.452    70.376  3.1439  75.579  2.9368  -5.203094      4.302207 
1 1 1 13  14  8  o 106.450 2.5839  1530.31   73.668    1550.83   104.309   1509.90   104.057   107.167 3.6339  105.734 3.6742  1.433098       5.167729 
1 1 1 13  14  9  o 70.902  2.0970  677.587   39.820    689.160   56.347    666.041   56.281    71.510  2.9418  70.293  2.9892  1.216858       4.194008 
1 1 1 13  14  10 f 19.582  2.2745  53.582    11.420    46.035    16.409    60.671    15.903    18.148  3.5027  21.016  2.9026  -2.868235      4.549053 
1 1 1 13  14  11 o 72.365  3.0658  707.619   59.425    707.619   59.425    0.0000    0.0000    72.365  3.0658  ?       ?       ?              ?        
1 1 1 13  14  12 o 59.440  3.8672  482.695   61.234    0.0000    0.0000    482.695   61.234    ?       ?       59.440  3.8672  ?              ?        
1 1 1 13  14  13 o 46.641  1.9883  295.252   24.710    289.035   35.272    301.244   34.628    46.145  2.8679  47.137  2.7546  -0.9919662     3.976564 
1 1 1 13  14  14 o 64.795  2.0932  568.821   36.321    557.744   51.513    579.772   51.219    64.159  2.9976  65.432  2.9225  -1.273460      4.186487 
1 1 1 13  14  15 o 68.460  2.1471  636.019   39.369    645.371   55.933    626.836   55.423    68.961  3.0281  67.959  3.0448  1.002419       4.294230 
1 1 1 13  14  16 o 52.292  2.0442  372.316   28.517    370.934   40.577    373.666   40.087    52.189  2.9144  52.395  2.8673  -0.2065125     4.088387 
1 1 1 13  14  17 o 37.541  2.0284  192.679   20.236    193.615   28.993    191.790   28.256    37.622  2.8996  37.460  2.8372  0.1619110      4.056746 
1 1 1 13  14  18 o 12.087  1.9252  12.232    9.4342    -25.4886  13.516    48.067    13.174    5.5646  2.7217  18.610  2.7236  -13.04539      3.850365 
1 1 1 13  14  19 o 29.214  2.1599  118.498   16.585    109.956   23.768    126.605   23.154    28.124  3.2129  30.303  2.8876  -2.178682      4.319792 
1 1 1 13  14  20 o 17.548  2.7458  44.477    12.579    50.226    18.169    39.185    17.433    18.682  3.7611  16.414  4.0014  2.267990       5.491558 
1 1 1 13  14  21 o 16.763  2.7622  40.909    12.253    49.632    17.688    32.859    16.991    18.536  3.6923  14.990  4.1093  3.545552       5.524413 
1 1 1 13  14  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  14  23 o 67.654  2.2520  640.536   40.804    630.942   57.718    650.122   57.694    67.124  3.2102  68.184  3.1591  -1.059631      4.503948 
1 1 1 13  14  24 o 17.212  2.8071  43.710    13.078    63.641    19.214    26.506    17.852    20.932  3.5542  13.491  4.3459  7.440669       5.614180 
1 1 1 13  14  25 f 12.486  2.7503  20.472    11.670    2.6417    16.769    37.218    16.251    9.1925  3.9054  15.780  3.8735  -6.587808      5.500534 
1 1 1 13  14  26 o 18.788  2.8943  53.754    14.231    42.008    20.147    65.451    20.104    16.510  4.4535  21.066  3.6980  -4.555471      5.788646 
1 1 1 13  14  27 o 10.971  2.9197  14.256    11.948    7.6320    17.005    20.713    16.790    9.8550  4.0384  12.088  4.2179  -2.232769      5.839463 
1 1 1 13  14  28 o 7.1441  2.2808  -11.8311  10.061    4.7635    14.485    -27.2993  13.985    8.8147  3.6801  5.4736  2.6954  3.341100       4.561676 
1 1 1 13  15  0  o 104.522 2.4458  1469.15   68.459    1492.11   96.413    1445.81   97.224    105.351 3.4167  103.694 3.5005  1.657112       4.891578 
1 1 1 13  15  1  o 150.540 3.1540  3057.67   127.124   3143.17   179.287   2971.22   180.279   152.675 4.3842  148.405 4.5353  4.270309       6.307959 
1 1 1 13  15  2  o 139.134 2.9814  2610.90   111.096   2638.17   156.562   2583.25   157.670   139.874 4.1789  138.394 4.2535  1.480621       5.962801 
1 1 1 13  15  3  o 66.205  2.0337  589.387   36.045    605.310   50.711    573.128   51.245    67.113  2.8210  65.296  2.9300  1.817360       4.067351 
1 1 1 13  15  4  o 103.970 2.4780  1456.27   69.000    1425.65   97.182    1487.39   97.986    102.864 3.5272  105.076 3.4815  -2.211739      4.956051 
1 1 1 13  15  5  o 48.124  1.9105  312.384   24.525    309.260   34.710    315.498   34.658    47.881  2.7177  48.367  2.6858  -0.4859428     3.820912 
1 1 1 13  15  6  o 33.768  1.9282  154.433   17.287    151.471   24.499    157.370   24.397    33.439  2.7600  34.097  2.6933  -0.6583328     3.856361 
1 1 1 13  15  7  o 30.734  1.9505  128.385   15.851    136.814   22.350    119.856   22.484    31.774  2.6503  29.694  2.8624  2.079855       3.900958 
1 1 1 13  15  8  o 119.730 2.7642  1943.78   88.644    1925.73   125.381   1961.82   125.343   119.168 3.9281  120.293 3.8902  -1.125580      5.528442 
1 1 1 13  15  9  o 68.901  4.0159  647.304   73.793    647.304   73.793    0.0000    0.0000    68.901  4.0159  ?       ?       ?              ?        
1 1 1 13  15  10 o 40.905  3.6879  228.976   39.971    0.0000    0.0000    228.976   39.971    ?       ?       40.905  3.6879  ?              ?        
1 1 1 13  15  11 o 66.919  2.1070  605.769   37.765    607.596   53.572    603.964   53.245    67.019  2.9844  66.820  2.9750  0.1985092      4.213923 
1 1 1 13  15  12 o 55.672  2.0624  420.500   30.643    429.580   43.615    411.650   43.060    56.271  2.9037  55.074  2.9296  1.196243       4.124779 
1 1 1 13  15  13 o 56.889  2.0638  439.603   31.339    435.929   44.469    443.228   44.174    56.647  2.9409  57.132  2.8961  -0.4856262     4.127557 
1 1 1 13  15  14 o 42.389  2.0201  244.855   22.784    238.033   32.545    251.412   31.906    41.790  2.9260  42.988  2.7860  -1.198174      4.040228 
1 1 1 13  15  15 o 78.767  2.3148  846.121   48.836    852.454   69.392    839.907   68.741    79.058  3.2770  78.477  3.2703  0.5811081      4.629606 
1 1 1 13  15  16 o 30.097  2.1407  125.135   16.928    112.794   24.124    137.107   23.760    28.566  3.2084  31.627  2.8349  -3.061319      4.281360 
1 1 1 13  15  17 o 26.008  2.2654  94.249    15.379    86.422    21.921    101.837   21.583    24.876  3.3773  27.141  3.0202  -2.265099      4.530738 
1 1 1 13  15  18 o 59.159  2.1445  481.064   33.864    484.007   48.254    478.208   47.538    59.331  3.0467  58.987  3.0189  0.3435974      4.289050 
1 1 1 13  15  19 o 27.428  2.2960  105.167   16.433    119.655   23.688    91.727    22.815    29.334  3.0599  25.521  3.4239  3.812778       4.591967 
1 1 1 13  15  20 o 19.735  4.7701  58.316    24.935    58.316    24.935    0.0000    0.0000    19.735  4.7701  ?       ?       ?              ?        
1 1 1 13  15  21 o 11.353  2.7997  16.901    10.419    16.943    15.603    16.867    13.998    11.459  4.0606  11.247  3.8554  0.2127743      5.599319 
1 1 1 13  15  22 o 53.895  2.1865  406.641   31.429    403.452   44.583    409.790   44.312    53.668  3.1149  54.123  3.0693  -0.4555092     4.372992 
1 1 1 13  15  23 o 7.8542  2.4055  -4.3955   10.073    -17.3143  14.676    7.1119    13.851    6.4698  3.0803  9.2386  3.6955  -2.768778      4.810927 
1 1 1 13  15  24 o 12.077  2.9737  19.938    11.795    21.260    17.009    18.713    16.370    12.358  4.2492  11.796  4.1614  0.5618372      5.947483 
1 1 1 13  15  25 o 42.343  2.2482  255.064   25.302    248.729   35.872    261.337   35.695    41.778  3.2308  42.909  3.1273  -1.131241      4.496421 
1 1 1 13  15  26 o 34.352  2.3649  170.776   21.459    179.908   30.472    161.792   30.224    35.335  3.2563  33.369  3.4305  1.965878       4.729841 
1 1 1 13  15  27 o 8.9575  2.6208  3.8713    10.844    -6.7826   16.214    12.492    14.585    7.7683  3.5382  10.147  3.8674  -2.378343      5.241690 
1 1 1 13  16  0  o 35.060  1.9358  166.892   17.871    192.366   25.384    141.859   25.164    37.764  2.5241  32.355  2.9356  5.409458       3.871521 
1 1 1 13  16  1  o 69.022  2.0498  640.866   37.875    659.042   53.282    622.301   53.850    70.017  2.8411  68.027  2.9554  1.990196       4.099517 
1 1 1 13  16  2  o 45.646  1.8791  281.311   22.782    250.649   31.934    313.091   32.511    43.087  2.7819  48.206  2.5267  -5.119133      3.758143 
1 1 1 13  16  3  o 100.791 2.4096  1369.50   65.043    1338.40   91.529    1401.24   92.447    99.631  3.4299  101.952 3.3854  -2.320824      4.819226 
1 1 1 13  16  4  o 42.943  1.9001  249.085   21.744    251.802   30.760    246.372   30.741    43.180  2.6728  42.706  2.7014  0.4736519      3.800170 
1 1 1 13  16  5  o 37.308  1.9006  188.341   18.865    187.667   26.683    189.015   26.676    37.240  2.6932  37.376  2.6826  -0.1354713     3.801265 
1 1 1 13  16  6  o 62.582  2.0257  528.078   33.951    517.258   47.999    538.911   48.029    61.937  2.8933  63.228  2.8360  -1.291481      4.051447 
1 1 1 13  16  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  16  8  o 24.098  2.9211  81.135    16.307    80.942    30.999    81.209    19.174    23.861  5.0099  24.335  3.0055  -0.4741917     5.842280 
1 1 1 13  16  9  o 23.743  2.1287  77.431    13.232    76.397    18.659    78.477    18.767    23.579  3.0242  23.908  2.9965  -0.3292618     4.257330 
1 1 1 13  16  10 o 19.070  2.4192  51.727    11.735    37.279    16.623    66.081    16.569    16.221  3.8785  21.920  2.8928  -5.698692      4.838481 
1 1 1 13  16  11 o 15.699  2.6223  34.821    10.849    37.554    15.746    32.351    14.969    16.287  3.6944  15.112  3.7225  1.174883       5.244580 
1 1 1 13  16  12 o 38.548  2.0310  202.426   20.796    214.777   29.651    190.470   29.173    39.727  2.8046  37.370  2.9383  2.356960       4.061963 
1 1 1 13  16  13 o 36.571  2.0736  183.818   19.974    160.063   28.475    206.829   28.025    34.162  3.1473  38.980  2.7008  -4.817959      4.147267 
1 1 1 13  16  14 o 29.330  2.1571  118.894   16.599    107.799   23.806    129.394   23.158    27.929  3.2427  30.732  2.8456  -2.803518      4.314210 
1 1 1 13  16  15 f 24.117  2.2900  80.887    14.407    84.884    20.564    77.034    20.191    24.728  3.1783  23.506  3.2976  1.221371       4.579974 
1 1 1 13  16  16 o 56.576  2.1294  439.042   32.151    444.152   45.701    434.035   45.239    56.904  3.0092  56.248  3.0137  0.6553459      4.258793 
1 1 1 13  16  17 o 10.617  2.7706  12.582    10.472    15.873    14.976    9.4346    14.648    11.269  3.9798  9.9641  3.8557  1.304892       5.541233 
1 1 1 13  16  18 o 15.211  2.8026  33.452    11.799    23.749    16.435    43.771    16.949    13.029  4.1671  17.392  3.7489  -4.362603      5.605206 
1 1 1 13  16  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  16  20 o 28.393  2.3411  114.110   17.462    111.720   24.825    116.451   24.566    28.069  3.3694  28.717  3.2511  -0.6482658     4.682103 
1 1 1 13  16  21 o 13.877  2.8279  26.503    12.287    45.054    17.724    9.3373    17.050    17.460  3.8896  10.294  4.1061  7.166023       5.655819 
1 1 1 13  16  22 o 8.5911  2.5736  1.7004    10.272    5.1774    15.091    -1.3006   14.021    9.2019  3.7914  7.9803  3.4812  1.221656       5.147243 
1 1 1 13  16  23 f 11.710  2.8532  18.308    11.366    8.9917    16.955    25.911    15.316    10.167  4.0810  13.253  3.9886  -3.085661      5.706441 
1 1 1 13  16  24 o 48.054  2.2591  328.748   28.869    311.494   40.971    345.762   40.685    46.707  3.2962  49.402  3.0902  -2.695446      4.518222 
1 1 1 13  16  25 o 40.244  2.3171  233.333   24.733    247.542   35.402    219.786   34.568    41.503  3.2095  38.984  3.3428  2.519001       4.634166 
1 1 1 13  17  0  o 105.652 2.4842  1505.58   70.292    1518.98   99.007    1491.95   99.814    106.133 3.4828  105.172 3.5432  0.9609528      4.968346 
1 1 1 13  17  1  o 60.032  1.9576  484.958   31.477    484.851   44.338    485.067   44.695    60.027  2.7577  60.038  2.7793  -0.1114273E-01 3.915294 
1 1 1 13  17  2  o 120.050 2.7081  1949.85   87.068    1971.53   122.688   1927.84   123.584   120.734 3.7939  119.366 3.8654  1.367508       5.416143 
1 1 1 13  17  3  o 76.671  2.1377  792.640   43.893    772.566   61.731    813.166   62.422    75.685  3.0451  77.656  3.0010  -1.971046      4.275377 
1 1 1 13  17  4  o 35.021  2.7409  166.284   25.506    166.284   25.506    0.0000    0.0000    35.021  2.7409  ?       ?       ?              ?        
1 1 1 13  17  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  17  6  o 54.850  1.9905  406.772   29.171    390.276   41.157    423.426   41.353    53.685  2.8726  56.015  2.7562  -2.329601      3.981031 
1 1 1 13  17  7  o 59.485  2.0340  478.220   32.403    485.638   45.730    470.739   45.921    59.953  2.8477  59.016  2.9051  0.9373512      4.068048 
1 1 1 13  17  8  o 7.5902  2.1668  -0.4146   7.5460    -10.3296  10.546    9.9869    10.802    5.8226  2.7222  9.3577  3.3719  -3.535123      4.333579 
1 1 1 13  17  9  o 25.959  2.1254  92.757    14.384    80.258    20.234    105.528   20.454    24.119  3.2119  27.799  2.7844  -3.680380      4.250792 
1 1 1 13  17  10 o 52.587  2.0591  375.981   28.863    394.737   40.903    357.379   40.735    53.915  2.8425  51.258  2.9799  2.657372       4.118154 
1 1 1 13  17  11 o 27.332  2.1449  102.629   15.374    113.975   22.067    91.928    21.431    28.848  2.8950  25.817  3.1655  3.030794       4.289720 
1 1 1 13  17  12 o 19.716  2.4437  54.486    12.418    56.560    18.130    52.654    17.044    20.066  3.5007  19.365  3.4106  0.7002335      4.887410 
1 1 1 13  17  13 o 16.862  2.6298  40.605    11.565    37.706    16.420    43.459    16.291    16.233  3.8371  17.491  3.5974  -1.257929      5.259653 
1 1 1 13  17  14 o 55.103  2.1481  416.150   31.580    417.231   44.967    415.098   44.361    55.167  3.0551  55.039  3.0206  0.1273956      4.296252 
1 1 1 13  17  15 o 40.670  2.1151  227.838   22.859    218.699   32.468    236.819   32.188    39.828  3.0671  41.511  2.9134  -1.682816      4.230236 
1 1 1 13  17  16 o 25.321  2.3625  89.945    15.625    93.501    22.408    86.581    21.797    25.824  3.3163  24.819  3.3658  1.004919       4.725098 
1 1 1 13  17  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  17  18 o 47.241  2.1683  310.584   27.259    328.751   38.837    292.944   38.270    48.648  2.9951  45.834  3.1362  2.814793       4.336613 
1 1 1 13  17  19 o 9.9577  2.7304  9.0137    10.567    14.973    15.459    3.7876    14.477    11.039  4.0251  8.8767  3.6903  2.161905       5.460764 
1 1 1 13  17  20 o 12.835  3.0179  23.250    12.153    21.438    17.397    24.978    16.984    12.494  4.2972  13.177  4.2384  -0.6835613     6.035702 
1 1 1 13  17  21 o 41.425  2.2535  241.953   24.777    257.948   35.385    226.566   34.706    42.826  3.1058  40.023  3.2659  2.802979       4.506918 
1 1 1 13  17  22 o 9.9660  2.8073  8.1162    11.420    14.289    16.635    2.6128    15.707    10.994  4.1445  8.9382  3.7876  2.055634       5.614551 
1 1 1 13  17  23 o 15.356  3.1077  36.388    13.592    30.032    19.743    42.113    18.739    14.121  4.5726  16.592  4.2098  -2.470688      6.215402 
1 1 1 13  17  24 o 10.578  2.7326  10.923    11.393    25.967    15.956    -4.7248   16.273    13.101  4.0955  8.0559  3.6187  5.045044       5.465195 
1 1 1 13  18  0  o 99.388  2.4187  1334.74   64.379    1348.26   90.633    1320.96   91.463    99.905  3.3870  98.872  3.4537  1.033501       4.837313 
1 1 1 13  18  1  o 38.979  3.5168  207.153   36.322    207.153   36.322    0.0000    0.0000    38.979  3.5168  ?       ?       ?              ?        
1 1 1 13  18  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  18  3  f 81.456  2.2023  896.806   48.007    847.037   67.409    948.027   68.385    79.147  3.1798  83.765  3.0480  -4.617966      4.404672 
1 1 1 13  18  4  o 50.723  1.9548  348.254   26.454    340.643   37.254    355.995   37.571    50.158  2.7838  51.288  2.7449  -1.129025      3.909513 
1 1 1 13  18  5  o 42.577  1.9492  245.829   22.107    249.055   31.203    242.579   31.324    42.863  2.7321  42.291  2.7808  0.5724602      3.898339 
1 1 1 13  18  6  o 78.744  2.2275  840.097   46.981    838.983   66.205    841.227   66.681    78.695  3.1409  78.794  3.1595  -0.9982300E-01 4.455090 
1 1 1 13  18  7  o 49.597  2.0025  333.828   26.490    337.152   37.490    330.514   37.435    49.847  2.8195  49.347  2.8443  0.5005302      4.004955 
1 1 1 13  18  8  o 41.474  2.0115  234.867   22.086    208.586   31.333    260.818   31.135    39.109  3.0143  43.838  2.6642  -4.728943      4.022982 
1 1 1 13  18  9  o 28.696  2.0984  112.957   15.863    121.232   22.549    104.850   22.319    29.771  2.8631  27.622  3.0685  2.149000       4.196834 
1 1 1 13  18  10 o 44.611  2.0345  271.303   24.180    268.804   34.139    273.819   34.252    44.402  2.8862  44.821  2.8681  -0.4189987     4.068922 
1 1 1 13  18  11 o 30.131  2.1185  124.908   16.830    134.500   23.884    115.450   23.719    31.321  2.8792  28.941  3.1084  2.379660       4.237027 
1 1 1 13  18  12 o 27.757  2.2122  106.466   16.090    118.830   23.179    94.967    22.353    29.367  2.9884  26.147  3.2628  3.220409       4.424472 
1 1 1 13  18  13 o 35.859  2.1331  177.152   20.195    199.412   28.976    156.124   28.163    38.114  2.8591  33.603  3.1664  4.511131       4.266216 
1 1 1 13  18  14 o 24.887  2.4681  88.638    15.533    66.665    22.058    110.253   21.877    21.552  3.9672  28.221  2.9372  -6.668631      4.936138 
1 1 1 13  18  15 o 34.843  3.9832  172.419   36.505    172.419   36.505    0.0000    0.0000    34.843  3.9832  ?       ?       ?              ?        
1 1 1 13  18  16 f 16.672  2.8326  41.083    12.725    29.469    18.084    52.471    17.908    14.268  4.3430  19.075  3.6377  -4.807414      5.665235 
1 1 1 13  18  17 o 20.546  2.6963  61.897    14.203    73.863    20.003    49.731    20.170    22.769  3.3827  18.323  4.1997  4.446529       5.392585 
1 1 1 13  18  18 o 14.650  2.9837  31.726    12.494    25.685    17.806    37.584    17.536    13.396  4.3429  15.905  4.0925  -2.509815      5.967356 
1 1 1 13  18  19 f 15.644  2.8899  36.404    13.161    18.115    18.726    54.256    18.501    12.024  4.4232  19.264  3.7203  -7.239585      5.779715 
1 1 1 13  18  20 o 18.727  2.9194  52.774    14.765    78.797    21.351    28.921    20.441    23.364  3.5210  14.089  4.6576  9.274985       5.838716 
1 1 1 13  18  21 o 27.400  2.6605  110.121   18.519    138.191   26.631    83.836    25.771    31.131  3.2413  23.668  4.2199  7.463081       5.321056 
1 1 1 13  18  22 o 15.948  2.9887  39.647    13.732    22.948    19.991    54.565    18.895    12.808  4.5901  19.088  3.8291  -6.279683      5.977491 
1 1 1 13  18  23 o 18.986  3.0429  56.917    15.460    37.947    21.728    76.370    22.003    15.424  4.7722  22.548  3.7768  -7.123869      6.085885 
1 1 1 13  19  0  o 32.132  1.9466  140.249   16.572    149.171   23.646    131.638   23.231    33.154  2.6859  31.110  2.8185  2.044561       3.893291 
1 1 1 13  19  1  o 77.838  2.1606  818.927   45.037    796.607   63.295    841.816   64.097    76.759  3.0786  78.918  3.0323  -2.159172      4.321182 
1 1 1 13  19  2  o 90.066  2.3356  1099.07   56.342    1102.22   79.361    1095.86   80.003    90.203  3.2847  89.930  3.3213  0.2722778      4.671239 
1 1 1 13  19  3  o 33.770  1.9775  155.285   17.678    142.319   24.910    168.441   25.091    32.318  2.9088  35.223  2.6796  -2.904819      3.954972 
1 1 1 13  19  4  o 69.346  2.1081  650.827   39.154    640.073   55.125    661.777   55.623    68.765  2.9929  69.927  2.9698  -1.161888      4.216289 
1 1 1 13  19  5  o 26.075  2.1194  93.786    14.376    79.939    20.328    107.643   20.335    24.063  3.2360  28.086  2.7378  -4.023039      4.238786 
1 1 1 13  19  6  o 39.810  1.9993  215.693   21.174    218.442   29.736    212.865   30.158    40.078  2.7874  39.543  2.8669  0.5348167      3.998590 
1 1 1 13  19  7  o 68.012  2.1549  628.198   39.241    606.007   55.255    650.777   55.737    66.788  3.0888  69.237  3.0055  -2.449280      4.309713 
1 1 1 13  19  8  o 18.500  2.6171  49.447    12.521    67.405    17.746    31.643    17.669    22.056  3.0885  14.944  4.2258  7.111833       5.234116 
1 1 1 13  19  9  o 32.002  2.0762  140.471   17.596    139.098   24.976    141.825   24.794    31.839  2.9627  32.165  2.9094  -0.3265076     4.152325 
1 1 1 13  19  10 o 27.246  2.2425  103.282   15.830    85.120    22.206    122.049   22.572    24.687  3.4527  29.806  2.8626  -5.119091      4.485038 
1 1 1 13  19  11 o 28.301  2.2105  110.887   16.420    122.088   23.559    100.307   22.899    29.743  2.9982  26.859  3.2490  2.883377       4.420956 
1 1 1 13  19  12 o 32.501  2.2070  147.002   18.788    125.578   26.541    168.523   26.601    30.012  3.3592  34.991  2.8633  -4.978733      4.413970 
1 1 1 13  19  13 o 13.511  4.1506  25.892    16.470    25.892    16.470    0.0000    0.0000    13.511  4.1506  ?       ?       ?              ?        
1 1 1 13  19  14 o 32.284  3.1316  145.347   26.739    0.0000    0.0000    145.347   26.739    ?       ?       32.284  3.1316  ?              ?        
1 1 1 13  19  15 o 17.845  2.7778  47.593    13.267    27.701    18.792    67.364    18.735    13.917  4.4563  21.772  3.3174  -7.854518      5.555525 
1 1 1 13  19  16 o 13.144  2.8961  23.956    11.728    34.087    16.928    14.605    16.264    15.187  4.0761  11.101  4.1151  4.085974       5.792128 
1 1 1 13  19  17 o 7.7448  2.4240  -3.3175   9.9332    -3.9892   14.368    -2.7025   13.748    7.7528  3.4470  7.7367  3.4090  0.1614332E-01  4.847953 
1 1 1 13  19  18 o 15.173  3.0223  34.231    12.862    29.643    17.853    39.183    18.547    14.176  4.3151  16.170  4.2329  -1.994300      6.044642 
1 1 1 13  19  19 o 20.399  2.9452  62.173    15.547    63.843    22.159    60.554    21.819    20.685  4.1438  20.112  4.1864  0.5726681      5.890450 
1 1 1 13  19  20 o 8.4690  2.6063  -3.3141   11.383    6.9285    16.782    -12.0422  15.491    9.7841  4.0108  7.1539  3.3294  2.630230       5.212641 
1 1 1 13  19  21 o 30.588  2.5196  136.702   20.254    136.406   28.846    136.989   28.445    30.532  3.5963  30.644  3.5301  -0.1118488     5.039298 
1 1 1 13  20  0  o 47.520  1.9414  306.000   24.598    314.869   34.842    297.187   34.733    48.216  2.7089  46.824  2.7819  1.392044       3.882887 
1 1 1 13  20  1  o 39.623  1.9421  213.087   20.482    215.387   29.183    210.853   28.755    39.834  2.7520  39.412  2.7410  0.4213600      3.884145 
1 1 1 13  20  2  o 85.649  2.2734  995.395   52.137    1016.72   73.405    973.688   74.065    86.592  3.1649  84.706  3.2644  1.885483       4.546749 
1 1 1 13  20  3  o 51.325  1.9852  357.761   27.164    372.538   38.293    342.793   38.540    52.412  2.7372  50.238  2.8761  2.174561       3.970410 
1 1 1 13  20  4  o 56.394  2.0225  431.374   30.480    414.088   42.798    449.168   43.421    55.200  2.9048  57.588  2.8150  -2.387905      4.045035 
1 1 1 13  20  5  o 30.734  2.0812  130.108   16.728    109.476   23.636    150.811   23.676    28.200  3.1851  33.269  2.6797  -5.069040      4.162432 
1 1 1 13  20  6  o 60.595  2.0989  499.877   33.991    513.568   47.877    485.962   48.267    61.487  2.9070  59.703  3.0282  1.784027       4.197736 
1 1 1 13  20  7  o 17.149  2.6573  42.766    12.088    58.516    16.977    26.569    17.216    20.478  3.1998  13.821  4.2432  6.657309       5.314516 
1 1 1 13  20  8  o 53.849  2.0977  396.688   30.122    382.747   42.644    410.570   42.555    52.880  3.0233  54.818  2.9087  -1.937359      4.195328 
1 1 1 13  20  9  o 46.155  2.0885  292.068   25.674    281.750   36.042    302.695   36.580    45.312  2.9864  46.997  2.9204  -1.684994      4.176959 
1 1 1 13  20  10 o 41.577  2.0956  237.899   23.136    219.499   32.466    256.885   32.978    39.899  3.0613  43.255  2.8625  -3.356773      4.191120 
1 1 1 13  20  11 o 34.446  3.9140  167.707   35.471    167.707   35.471    0.0000    0.0000    34.446  3.9140  ?       ?       ?              ?        
1 1 1 13  20  12 o 16.757  4.0558  41.069    18.008    0.0000    0.0000    41.069    18.008    ?       ?       16.757  4.0558  ?              ?        
1 1 1 13  20  13 o 28.223  2.4041  112.840   17.543    92.638    24.517    134.033   25.112    25.461  3.7037  30.985  3.0661  -5.524504      4.808129 
1 1 1 13  20  14 o 12.056  2.9197  19.473    11.355    21.621    16.499    17.539    15.651    12.515  4.1863  11.597  4.0710  0.9185829      5.839313 
1 1 1 13  20  15 o 28.060  2.4227  111.915   17.828    110.207   25.243    113.614   25.183    27.828  3.4616  28.293  3.3906  -0.4651470     4.845490 
1 1 1 13  20  16 o 15.661  2.9303  35.580    13.327    54.507    19.329    18.433    18.398    19.264  3.8802  12.058  4.3921  7.206074       5.860579 
1 1 1 13  20  17 o 29.485  2.5579  125.419   19.404    151.634   27.805    100.530   27.092    32.744  3.2116  26.225  3.9821  6.519255       5.115825 
1 1 1 13  20  18 o 43.071  2.3336  263.488   26.715    267.157   37.858    259.849   37.703    43.385  3.2821  42.758  3.3181  0.6268387      4.667147 
1 1 1 13  20  19 o 10.279  2.8745  10.442    11.763    12.795    15.935    7.6243    17.436    10.566  4.0387  9.9929  4.0914  0.5727663      5.748939 
1 1 1 13  20  20 o 32.029  2.5034  150.330   21.117    150.481   29.830    150.179   29.898    32.051  3.5335  32.008  3.5470  0.4268265E-01  5.006702 
1 1 1 13  21  0  o 44.648  1.9537  271.326   23.153    298.886   32.762    243.831   32.723    46.958  2.6152  42.337  2.9032  4.620922       3.907411 
1 1 1 13  21  1  o 23.327  2.2734  75.306    13.797    80.942    19.616    69.789    19.408    24.234  3.0926  22.421  3.3332  1.812941       4.546877 
1 1 1 13  21  2  o 73.094  2.1444  725.393   41.983    720.978   59.135    729.881   59.614    72.871  3.0297  73.318  3.0357  -0.4465714     4.288842 
1 1 1 13  21  3  o 37.625  1.9942  192.991   19.931    182.021   27.895    204.432   28.487    36.514  2.8754  38.736  2.7638  -2.222397      3.988307 
1 1 1 13  21  4  o 11.800  2.6767  18.088    10.120    26.515    13.960    8.7539    14.692    13.679  3.7143  9.9214  3.8552  3.757531       5.353387 
1 1 1 13  21  5  o 36.617  2.0690  183.691   20.109    176.299   28.435    191.085   28.442    35.858  2.9878  37.375  2.8629  -1.517330      4.138025 
1 1 1 13  21  6  o 10.905  2.7496  14.208    10.238    17.541    14.038    10.419    14.964    11.553  3.8614  10.257  3.9154  1.296139       5.499145 
1 1 1 13  21  7  o 51.162  2.0890  358.893   28.481    342.090   40.186    375.853   40.372    49.929  3.0191  52.395  2.8879  -2.466637      4.177923 
1 1 1 13  21  8  o 58.292  2.1556  467.142   33.530    454.292   47.304    480.116   47.534    57.467  3.0845  59.118  3.0119  -1.650967      4.311102 
1 1 1 13  21  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  21  10 o 30.324  2.2767  128.478   18.207    127.797   25.914    129.141   25.586    30.232  3.2514  30.417  3.1879  -0.1847820     4.553453 
1 1 1 13  21  11 f 19.245  2.7218  53.842    13.536    49.453    19.180    58.197    19.106    18.389  4.0072  20.101  3.6845  -1.711414      5.443641 
1 1 1 13  21  12 o 10.139  2.6373  8.3022    10.425    -4.3458   14.420    22.151    15.089    7.7483  3.4486  12.530  3.9911  -4.782145      5.274662 
1 1 1 13  21  13 o 41.687  2.2194  243.335   24.567    251.609   34.355    234.675   35.145    42.471  3.0401  40.903  3.2342  1.567944       4.438721 
1 1 1 13  21  14 o 21.511  2.7333  67.665    15.114    58.350    21.285    77.139    21.465    19.861  4.1355  23.162  3.5750  -3.301281      5.466530 
1 1 1 13  21  15 o 33.487  2.3688  159.564   20.797    140.120   29.489    178.807   29.335    31.303  3.5816  35.672  3.1011  -4.369200      4.737555 
1 1 1 13  21  16 o 23.785  2.7863  83.567    17.000    71.761    24.189    95.091    23.897    21.903  4.2766  25.667  3.5728  -3.764658      5.572634 
1 1 1 13  21  17 o 46.449  2.3544  307.562   29.087    297.924   41.053    317.278   41.218    45.673  3.3798  47.225  3.2788  -1.552021      4.708894 
1 1 1 13  21  18 o 9.6163  2.7249  2.1343    12.063    -15.4411  17.008    19.924    17.111    7.2446  3.4092  11.988  4.2519  -4.743476      5.449828 
1 1 1 13  22  0  o 12.336  2.7299  20.760    10.097    23.737    13.886    17.421    14.708    13.020  3.7671  11.653  3.9522  1.366753       5.459892 
1 1 1 13  22  1  o 22.008  2.4393  68.284    13.744    79.696    19.328    56.613    19.547    24.012  3.0759  20.004  3.7868  4.007845       4.878613 
1 1 1 13  22  2  o 49.137  2.0346  329.603   26.644    340.238   37.522    318.786   37.840    49.958  2.8155  48.315  2.9379  1.643364       4.069242 
1 1 1 13  22  3  o 59.601  2.0723  484.704   33.019    493.482   46.489    475.769   46.905    60.198  2.8833  59.004  2.9775  1.193298       4.144696 
1 1 1 13  22  4  o 23.578  2.3432  77.669    14.378    80.449    20.249    74.842    20.419    24.036  3.2267  23.121  3.3985  0.9152298      4.686355 
1 1 1 13  22  5  o 14.961  2.8687  32.039    11.727    30.626    15.693    33.826    17.647    14.602  3.9269  15.320  4.1830  -0.7174597     5.737427 
1 1 1 13  22  6  o 11.324  3.9670  16.178    14.859    16.178    14.859    0.0000    0.0000    11.324  3.9670  ?       ?       ?              ?        
1 1 1 13  22  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  22  8  o 5.8734  1.9655  -13.1185  8.1983    -12.9596  11.382    -13.2899  11.818    5.8118  2.7512  5.9351  2.8077  -0.1232729     3.930907 
1 1 1 13  22  9  o 11.582  2.5405  11.359    10.876    -9.6213   14.658    37.061    16.224    7.2324  3.3204  15.931  3.8458  -8.698572      5.080900 
1 1 1 13  22  10 o 35.034  2.2564  171.795   20.931    164.984   29.422    178.774   29.782    34.303  3.2406  35.766  3.1406  -1.463043      4.512753 
1 1 1 13  22  11 o 7.4305  2.3636  -7.1020   10.052    -13.5404  14.181    -0.5997   14.251    6.6773  3.1328  8.1837  3.5401  -1.506396      4.727255 
1 1 1 13  22  12 o 21.199  2.6963  65.852    14.632    52.718    20.649    79.098    20.737    18.847  4.1982  23.551  3.3845  -4.704811      5.392574 
1 1 1 13  22  13 o 37.942  2.2945  202.738   23.089    197.411   32.480    208.181   32.829    37.419  3.2736  38.466  3.2159  -1.046623      4.588939 
1 1 1 13  22  14 o 38.255  2.3384  207.269   23.714    200.411   33.461    214.189   33.613    37.583  3.3595  38.927  3.2536  -1.344894      4.676727 
1 1 1 13  22  15 o 26.659  2.7360  104.582   18.455    77.782    25.577    133.688   26.654    22.721  4.3612  30.597  3.3048  -7.875999      5.471961 
1 1 1 13  22  16 o 46.679  2.3489  312.079   29.155    321.859   41.039    302.112   41.428    47.488  3.2459  45.870  3.3961  1.618393       4.697782 
1 1 1 13  23  0  o 60.537  2.0575  499.255   33.359    491.097   47.114    507.456   47.240    60.034  2.9300  61.040  2.8894  -1.006115      4.115013 
1 1 1 13  23  1  o 34.549  2.0953  164.287   19.160    174.775   26.984    153.623   27.210    35.704  2.8452  33.393  3.0768  2.310959       4.190693 
1 1 1 13  23  2  o 7.0298  2.2615  -9.0151   9.5857    -2.3222   12.870    -17.3543  14.366    7.6100  3.3271  6.4495  3.0640  1.160518       4.523007 
1 1 1 13  23  3  o 19.446  3.3134  49.834    15.474    42.988    17.950    69.644    30.532    17.251  3.9675  21.641  5.3078  -4.389574      6.626712 
1 1 1 13  23  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  23  5  o 28.692  2.3100  115.036   17.423    109.632   24.384    120.673   24.905    27.977  3.3186  29.407  3.2142  -1.429956      4.619972 
1 1 1 13  23  6  o 29.991  2.2944  125.896   18.113    118.712   25.495    133.218   25.738    29.084  3.3329  30.899  3.1541  -1.815371      4.588770 
1 1 1 13  23  7  o 23.806  2.4803  80.662    15.326    82.717    21.418    78.507    21.939    24.161  3.4039  23.450  3.6086  0.7111187      4.960649 
1 1 1 13  23  8  o 30.322  2.2857  129.283   18.201    116.672   25.581    142.210   25.901    28.740  3.3883  31.904  3.0688  -3.164478      4.571449 
1 1 1 13  23  9  o 19.579  2.8199  56.223    14.285    52.703    20.226    59.727    20.177    18.905  4.1113  20.253  3.8605  -1.347361      5.639703 
1 1 1 13  23  10 o 14.402  2.9989  30.590    12.406    33.654    16.949    27.053    18.210    15.089  4.0909  13.715  4.3862  1.373820       5.997852 
1 1 1 13  23  11 o 18.661  3.0032  51.846    15.030    33.250    20.755    72.352    21.795    14.996  4.6681  22.325  3.7797  -7.328812      6.006456 
1 1 1 13  23  12 o 22.096  2.8430  72.194    16.159    65.587    23.194    78.428    22.526    20.962  4.2758  23.229  3.7481  -2.267088      5.685987 
1 1 1 13  23  13 o 22.293  2.9022  74.930    16.537    88.768    22.974    60.051    23.823    24.764  3.5664  19.821  4.5794  4.943134       5.804323 
1 1 1 13  23  14 o 17.786  3.1055  48.325    14.653    45.293    19.721    52.061    21.893    17.202  4.2937  18.371  4.4877  -1.168503      6.210906 
1 1 1 13  24  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  24  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  24  2  o 23.728  2.5036  79.805    15.318    68.941    21.441    91.129    21.891    21.959  3.7819  25.496  3.2816  -3.537651      5.007173 
1 1 1 13  24  3  o 17.525  2.8510  44.832    13.104    45.586    18.322    44.041    18.748    17.696  3.9639  17.355  4.0987  0.3407440      5.701919 
1 1 1 13  24  4  o 29.582  2.2460  122.611   17.465    131.487   24.626    113.630   24.772    30.727  3.0317  28.437  3.3145  2.289860       4.491953 
1 1 1 13  24  5  o 24.035  2.4569  82.261    15.301    75.044    21.653    89.459    21.626    22.890  3.6546  25.179  3.2848  -2.289137      4.913892 
1 1 1 13  24  6  f 54.827  2.1877  418.138   31.993    421.460   45.099    414.772   45.393    55.062  3.0701  54.591  3.1173  0.4706078      4.375324 
1 1 1 13  24  7  o 44.131  2.1870  271.667   25.684    266.186   36.211    277.215   36.435    43.668  3.1164  44.594  3.0691  -0.9261436     4.373915 
1 1 1 13  24  8  o 31.659  2.3334  141.716   19.435    149.076   27.058    133.872   27.934    32.593  3.1382  30.725  3.4542  1.868599       4.666897 
1 1 1 13  24  9  o 56.879  2.2487  452.745   34.107    434.320   47.745    471.944   48.739    55.667  3.2159  58.091  3.1441  -2.424179      4.497487 
1 1 1 13  24  10 o 11.580  2.9727  15.188    12.594    4.0890    17.783    26.357    17.839    9.6647  4.0592  13.495  4.3440  -3.830532      5.945386 
1 1 1 13  24  11 o 13.346  3.1817  25.473    13.477    24.016    18.757    27.029    19.378    13.041  4.4630  13.651  4.5359  -0.6102571     6.363384 
1 1 1 13  24  12 o 9.3640  2.7609  3.6987    11.799    10.636    16.520    -3.5252   16.858    10.313  4.0644  8.4149  3.7379  1.898252       5.521870 
1 1 1 13  25  0  o 17.466  2.8463  44.817    13.074    50.155    18.072    38.954    18.939    18.642  3.7493  16.291  4.2834  2.351007       5.692528 
1 1 1 13  25  1  o 8.6566  2.5402  3.3251    9.6570    2.3339    13.197    4.4677    14.169    8.3567  3.5026  8.9565  3.6801  -0.5998020     5.080496 
1 1 1 13  25  2  o 24.404  2.6008  86.405    16.076    106.125   22.598    66.201    22.874    27.526  3.1202  21.282  4.1618  6.243549       5.201579 
1 1 1 13  25  3  o 24.442  2.4581  84.996    15.612    79.539    21.988    90.544    22.169    23.590  3.5935  25.294  3.3551  -1.703856      4.916246 
1 1 1 13  25  4  o 41.199  2.1578  236.467   23.640    234.641   33.198    238.346   33.673    41.043  3.0415  41.356  3.0615  -0.3137550     4.315513 
1 1 1 13  25  5  o 45.349  2.1586  286.566   26.065    283.967   36.613    289.237   37.115    45.144  3.0457  45.554  3.0596  -0.4105644     4.317122 
1 1 1 13  25  6  o 14.417  2.9105  28.375    12.814    12.022    17.379    47.859    18.969    10.829  4.1971  18.006  4.0334  -7.176425      5.821057 
1 1 1 13  25  7  o 25.187  2.6686  92.258    17.246    106.842   24.343    77.563    24.435    27.406  3.3884  22.967  4.1236  4.438478       5.337157 
1 1 1 13  25  8  o 34.886  2.3713  172.702   21.820    157.643   30.557    188.370   31.170    33.247  3.4831  36.526  3.2189  -3.278831      4.742698 
1 1 1 13  25  9  o 11.233  2.8735  13.650    12.140    26.692    16.928    -0.1580   17.418    13.473  4.2195  8.9922  3.9018  4.481147       5.746977 
1 1 1 13  25  10 o 24.857  2.7176  91.116    17.499    93.948    24.635    88.232    24.861    25.308  3.7475  24.407  3.9368  0.9008808      5.435251 
1 1 1 13  26  0  o 49.731  2.1381  343.580   28.333    351.123   39.817    335.843   40.324    50.318  2.9675  49.143  3.0790  1.174717       4.276229 
1 1 1 13  26  1  o 38.639  2.1670  208.408   22.119    234.634   31.605    183.231   30.967    41.122  2.8877  36.155  3.2318  4.966877       4.333991 
1 1 1 13  26  2  o 47.778  2.1549  317.809   27.428    325.190   38.999    310.585   38.583    48.341  3.0273  47.216  3.0675  1.125500       4.309714 
1 1 1 13  26  3  o 20.269  2.8546  60.442    14.945    67.646    21.153    53.261    21.118    21.600  3.7947  18.939  4.2656  2.660845       5.709208 
1 1 1 13  26  4  o 11.315  2.9162  15.013    11.343    11.194    14.651    20.727    17.920    10.186  3.8775  12.444  4.3568  -2.258299      5.832382 
1 1 1 13  26  5  o 27.001  2.5115  105.213   17.520    118.178   24.432    91.491    25.136    28.906  3.2098  25.095  3.8636  3.811632       5.022935 
1 1 1 13  26  6  o 18.869  2.9104  54.819    14.809    79.884    20.789    28.996    21.101    23.594  3.3867  14.143  4.7341  9.451700       5.820753 
1 1 1 13  26  7  o 15.605  3.1867  37.168    14.107    40.078    19.434    33.927    20.511    16.228  4.3725  14.982  4.6368  1.245595       6.373301 
1 1 1 13  26  8  f 27.864  2.6343  113.544   19.150    107.521   26.647    119.977   27.538    27.058  3.7801  28.671  3.6701  -1.613838      5.268628 
1 1 1 13  27  0  o 33.830  2.3310  161.047   20.699    138.614   28.695    185.383   29.888    31.259  3.4866  36.401  3.0947  -5.142094      4.661976 
1 1 1 13  27  1  o 22.734  2.7825  76.639    15.897    48.739    22.095    106.579   22.889    17.981  4.5762  27.488  3.1667  -9.506929      5.565046 
1 1 1 13  27  2  o 10.461  2.8439  10.780    11.231    6.4213    14.907    16.500    17.078    9.3863  3.8058  11.536  4.2270  -2.149509      5.687855 
1 1 1 13  27  3  o 16.853  3.0689  42.090    14.157    31.066    19.200    55.225    20.957    14.479  4.4870  19.227  4.1880  -4.748002      6.137789 
1 1 1 13  27  4  o 42.644  2.2830  258.070   25.746    284.958   36.340    230.973   36.481    45.026  3.0309  40.262  3.4150  4.763783       4.566022 
1 1 1 13  27  5  o 12.175  3.0188  20.143    12.288    15.689    17.287    24.691    17.469    11.312  4.2328  13.038  4.3055  -1.725624      6.037689 
1 1 1 13  27  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  28  0  o 12.559  3.2104  19.809    13.809    14.735    18.129    26.820    21.311    11.343  4.3145  13.775  4.7551  -2.431464      6.420725 
1 1 1 13  28  1  o 13.652  3.1038  27.045    12.787    25.014    16.931    29.743    19.510    13.126  4.2327  14.178  4.5407  -1.052185      6.207600 
1 1 1 13  28  2  o 24.242  2.7002  86.592    16.875    89.498    23.079    83.254    24.737    24.816  3.5754  23.668  4.0475  1.147604       5.400489 
1 1 1 13  28  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 13  29  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -36 9  o 14.663  3.4237  37.684    16.358    63.468    25.812    20.380    21.146    17.999  5.1137  11.327  4.5537  6.672062       6.847348 
1 1 1 14  -36 10 f 26.607  3.0644  120.513   20.706    155.573   30.975    92.191    27.840    30.731  3.8475  22.484  4.7707  8.247412       6.128839 
1 1 1 14  -36 11 o 26.130  3.1041  118.135   20.907    126.972   30.888    110.665   28.401    26.990  4.4262  25.270  4.3532  1.719809       6.208204 
1 1 1 14  -36 12 o 20.289  3.5600  77.621    19.109    83.373    29.225    73.324    25.256    20.648  5.2674  19.929  4.7905  0.7183075      7.120064 
1 1 1 14  -36 13 o 16.969  3.6372  56.529    17.814    61.391    27.371    52.956    23.463    17.345  5.3545  16.592  4.9239  0.7526035      7.274303 
1 1 1 14  -36 14 o 7.7057  2.5298  -6.0461   12.194    -18.3288  22.200    -0.7388   14.593    7.7360  3.7115  7.6754  3.4388  0.6056452E-01  5.059665 
1 1 1 14  -36 15 o 8.6054  2.5850  0.0480    12.531    -37.6368  22.397    17.221    15.119    6.7373  3.3349  10.473  3.9505  -3.736175      5.169935 
1 1 1 14  -36 16 o 12.816  3.4765  30.797    16.528    35.538    25.770    27.484    21.543    13.349  5.1279  12.282  4.6956  1.066063       6.953024 
1 1 1 14  -36 17 o 14.997  3.6689  46.290    17.777    51.777    27.391    42.297    23.366    15.503  5.3887  14.490  4.9804  1.013157       7.337727 
1 1 1 14  -36 18 o 11.862  3.2751  25.736    15.439    16.822    25.572    30.849    19.367    10.935  4.7362  12.789  4.5248  -1.854541      6.550166 
1 1 1 14  -36 19 o 8.0740  2.6683  -5.9719   13.995    -11.1013  23.319    -3.0842   17.497    8.2534  3.9159  7.8946  3.6256  0.3588157      5.336633 
1 1 1 14  -36 20 o 11.362  3.0714  22.377    15.028    -2.3142   25.121    36.137    18.754    9.0636  4.2254  13.660  4.4586  -4.595998      6.142710 
1 1 1 14  -36 21 o 8.6852  2.8130  -0.1688   15.163    -18.3215  26.327    8.8419    18.549    8.1489  3.9422  9.2214  4.0138  -1.072491      5.626002 
1 1 1 14  -36 22 o 13.815  3.6409  43.667    17.988    50.879    26.992    37.904    24.126    14.583  5.3186  13.047  4.9737  1.535231       7.281845 
1 1 1 14  -35 3  f 11.007  2.5643  9.0490    12.908    -35.1883  19.948    40.912    16.930    6.4292  3.1760  15.585  4.0268  -9.155764      5.128564 
1 1 1 14  -35 4  o 12.957  3.1799  25.038    13.865    45.336    22.378    12.392    17.664    15.781  4.8366  10.133  4.1298  5.648219       6.359900 
1 1 1 14  -35 5  o 13.492  3.1834  31.917    14.431    17.720    22.734    41.499    18.676    11.417  4.6728  15.567  4.3245  -4.149895      6.366827 
1 1 1 14  -35 6  f 15.155  3.3339  40.518    14.840    41.283    23.278    39.994    19.261    15.085  4.9695  15.225  4.4457  -0.1404657     6.667847 
1 1 1 14  -35 7  o 14.636  3.3293  36.673    14.740    45.498    22.774    30.312    19.335    15.924  4.8790  13.349  4.5314  2.574862       6.658699 
1 1 1 14  -35 8  o 7.3782  2.4594  -12.3839  12.076    -10.4104  19.915    -13.5312  15.186    8.0683  3.7616  6.6880  3.1694  1.380284       4.918817 
1 1 1 14  -35 9  o 19.848  3.4108  69.981    18.053    60.753    26.879    77.565    24.367    18.131  5.2396  21.565  4.3682  -3.434036      6.821665 
1 1 1 14  -35 10 o 25.179  2.9717  103.335   19.287    107.540   28.468    99.767    26.222    25.538  4.3155  24.820  4.0865  0.7179852      5.943352 
1 1 1 14  -35 11 o 14.783  3.5334  39.554    16.737    34.962    25.929    42.834    21.913    14.019  5.1961  15.546  4.7896  -1.526264      7.066796 
1 1 1 14  -35 12 o 33.957  2.6969  180.943   23.859    213.075   35.048    153.191   32.571    37.070  3.5740  30.844  4.0397  6.226696       5.393741 
1 1 1 14  -35 13 o 30.130  2.8866  147.075   22.622    145.520   33.053    148.445   31.028    29.742  4.2716  30.518  3.8838  -0.7761478     5.773253 
1 1 1 14  -35 14 o 13.493  3.5249  28.390    17.324    49.101    27.009    13.913    22.580    16.044  5.3561  10.942  4.5838  5.101504       7.049743 
1 1 1 14  -35 15 o 13.729  3.5099  32.034    16.316    43.211    26.134    24.895    20.886    15.125  5.2633  12.333  4.6451  2.792246       7.019882 
1 1 1 14  -35 16 o 17.978  3.3850  60.638    18.227    33.250    26.820    84.142    24.846    13.580  5.2277  22.377  4.3016  -8.796719      6.770038 
1 1 1 14  -35 17 f 16.370  3.5280  48.893    16.857    60.564    25.780    40.177    22.279    17.949  5.1143  14.791  4.8612  3.158641       7.056032 
1 1 1 14  -35 18 o 11.485  3.3172  18.078    15.852    27.245    25.378    12.213    20.300    12.630  5.0183  10.339  4.3395  2.290149       6.634350 
1 1 1 14  -35 19 o 8.0355  2.6246  -7.2725   13.516    -22.0891  22.316    1.3114    16.986    7.5995  3.6647  8.4715  3.7581  -0.8720078     5.249113 
1 1 1 14  -35 20 o 16.555  3.6810  53.085    18.191    66.619    27.916    43.098    23.982    18.235  5.3601  14.874  5.0466  3.361216       7.361956 
1 1 1 14  -35 21 o 13.657  3.5181  36.364    17.287    25.974    26.093    44.492    23.079    12.215  5.0036  15.099  4.9469  -2.883364      7.036205 
1 1 1 14  -35 22 o 12.685  3.3774  27.115    15.978    46.424    25.016    13.811    20.765    15.033  5.1540  10.336  4.3661  4.697409       6.754774 
1 1 1 14  -35 23 o 11.431  3.3178  20.849    17.366    3.9140    26.453    33.675    23.021    9.8283  4.4930  13.034  4.8831  -3.206134      6.635662 
1 1 1 14  -35 24 o 13.853  3.6204  38.699    18.413    60.602    28.082    22.182    24.386    16.383  5.4612  11.323  4.7544  5.060527       7.240777 
1 1 1 14  -35 25 o 31.984  3.0747  186.010   25.475    212.882   37.419    162.798   34.778    34.529  4.1278  29.438  4.5580  5.090414       6.149327 
1 1 1 14  -35 26 o 10.463  3.1934  12.951    16.946    35.683    25.718    -4.4927   22.528    12.551  5.0303  8.3745  3.9354  4.176839       6.386819 
1 1 1 14  -35 27 o 10.452  3.1236  14.831    17.374    -15.7586  26.430    38.105    23.054    8.0647  3.9133  12.839  4.8697  -4.774193      6.247195 
1 1 1 14  -34 0  o 9.4715  2.7106  4.3345    12.575    -21.2461  19.944    21.214    16.200    7.2926  3.5038  11.650  4.1366  -4.357811      5.421115 
1 1 1 14  -34 1  o 13.867  3.3904  31.354    15.383    42.874    23.665    22.926    20.243    15.544  5.0034  12.190  4.5766  3.354346       6.780812 
1 1 1 14  -34 2  o 22.512  3.0353  81.886    17.576    89.220    26.234    75.914    23.674    23.391  4.3472  21.633  4.2372  1.758299       6.070632 
1 1 1 14  -34 3  o 32.967  2.5404  164.983   21.768    198.219   31.864    135.898   29.808    36.389  3.3053  29.546  3.8587  6.842770       5.080826 
1 1 1 14  -34 4  o 12.439  3.2908  22.141    14.742    31.959    22.902    15.194    19.265    13.872  4.9191  11.006  4.3726  2.866602       6.581567 
1 1 1 14  -34 5  o 16.924  3.3204  48.506    15.532    47.485    23.554    49.292    20.660    16.586  4.9360  17.262  4.4424  -0.6758099     6.640738 
1 1 1 14  -34 6  o 16.012  3.1970  39.919    14.591    61.177    23.233    26.072    18.751    19.191  4.5829  12.833  4.4586  6.357727       6.393930 
1 1 1 14  -34 7  o 14.592  3.2851  35.397    14.360    35.704    22.159    35.174    18.854    14.570  4.8509  14.614  4.4314  -0.4371643E-01 6.570296 
1 1 1 14  -34 8  o 10.799  2.6098  10.996    12.583    -31.6914  21.393    33.573    15.559    7.0809  3.4548  14.518  3.9126  -7.436725      5.219627 
1 1 1 14  -34 9  o 13.476  3.1148  23.533    14.144    51.342    22.643    5.7390    18.112    17.423  4.7303  9.5290  4.0538  7.894270       6.229674 
1 1 1 14  -34 10 o 25.380  2.9458  101.033   19.083    127.345   28.498    79.644    25.694    28.716  3.7983  22.044  4.5038  6.672287       5.891639 
1 1 1 14  -34 11 o 27.949  2.8448  122.315   20.621    135.048   30.076    111.020   28.328    29.440  3.9108  26.458  4.1323  2.982008       5.689505 
1 1 1 14  -34 12 o 11.163  3.1675  15.574    14.343    12.635    22.851    17.485    18.425    11.063  4.6209  11.262  4.3336  -0.1983624     6.335024 
1 1 1 14  -34 13 f 25.007  2.9968  101.014   19.192    95.906    28.543    105.229   25.928    24.057  4.5973  25.957  3.8456  -1.900188      5.993684 
1 1 1 14  -34 14 o 11.854  3.2677  19.928    14.773    21.353    23.186    18.953    19.168    12.185  4.8110  11.522  4.4234  0.6633081      6.535470 
1 1 1 14  -34 15 o 14.926  3.2879  33.250    16.303    64.761    25.081    10.197    21.453    19.337  4.8508  10.516  4.4397  8.821294       6.575805 
1 1 1 14  -34 16 o 11.637  3.0414  18.154    14.380    -4.4505   22.559    33.625    18.663    9.1406  4.1672  14.133  4.4312  -4.992110      6.082793 
1 1 1 14  -34 17 o 15.682  3.4665  42.109    16.301    56.959    25.103    31.283    21.434    17.809  5.0372  13.555  4.7637  4.253942       6.933005 
1 1 1 14  -34 18 o 21.184  3.3826  80.384    18.952    60.690    28.289    96.420    25.527    17.920  5.4267  24.447  4.0395  -6.527012      6.765117 
1 1 1 14  -34 19 f 19.789  3.5025  70.480    18.586    64.151    27.305    75.944    25.370    18.570  5.2539  21.009  4.6331  -2.438587      7.004941 
1 1 1 14  -34 20 o 24.448  3.2471  102.126   20.427    103.836   30.100    100.667   27.811    24.431  4.7710  24.466  4.4059  -0.3521156E-01 6.494158 
1 1 1 14  -34 21 o 17.093  3.5796  53.704    17.498    63.583    26.589    46.158    23.240    18.383  5.1788  15.803  4.9431  2.579836       7.159223 
1 1 1 14  -34 22 o 10.324  3.0744  8.6539    15.785    -11.8327  24.360    23.481    20.724    8.6743  4.0814  11.975  4.5989  -3.300208      6.148792 
1 1 1 14  -34 23 o 15.168  3.2324  41.379    18.129    1.2430    27.273    73.156    24.267    10.017  4.5727  20.318  4.5698  -10.30076      6.464746 
1 1 1 14  -34 24 o 8.7439  2.7787  -5.0740   14.979    -31.3237  23.464    12.983    19.461    7.2695  3.5620  10.218  4.2658  -2.948706      5.557414 
1 1 1 14  -34 25 o 10.932  3.1300  14.361    16.409    -13.5472  25.775    33.379    21.278    8.6036  4.0923  13.260  4.7372  -4.656016      6.260062 
1 1 1 14  -34 26 o 7.5570  2.5811  -20.0394  15.687    -18.4172  23.364    -21.3707  21.167    7.8437  3.7745  7.2703  3.5216  0.5734396      5.162194 
1 1 1 14  -34 27 o 13.079  3.5712  36.048    18.169    27.219    26.701    43.661    24.794    11.927  4.9895  14.230  5.1106  -2.303218      7.142320 
1 1 1 14  -34 28 o 12.264  3.4675  31.170    17.882    19.547    26.208    41.296    24.461    10.891  4.7550  13.637  5.0483  -2.745882      6.935069 
1 1 1 14  -34 29 o 11.677  3.2863  19.465    18.021    56.209    26.468    -12.2846  24.604    15.258  5.2975  8.0962  3.8904  7.161935       6.572603 
1 1 1 14  -34 30 o 8.5564  2.8734  -3.4652   17.875    -7.6972   26.428    0.1037    24.269    8.4220  4.0430  8.6908  4.0842  -0.2687941     5.746888 
1 1 1 14  -33 0  o 21.370  3.0139  73.149    16.614    64.824    23.931    80.895    23.083    19.893  4.5852  22.846  3.9128  -2.953100      6.027841 
1 1 1 14  -33 1  o 16.100  3.3164  43.148    15.214    39.605    22.790    45.996    20.433    15.401  4.9050  16.798  4.4648  -1.397433      6.632752 
1 1 1 14  -33 2  o 27.944  2.6457  119.110   19.119    107.427   27.655    129.806   26.461    26.338  4.0499  29.550  3.4054  -3.211782      5.291356 
1 1 1 14  -33 3  o 12.002  3.1191  19.359    13.281    28.840    20.245    12.198    17.595    13.529  4.6366  10.475  4.1734  3.054030       6.238242 
1 1 1 14  -33 4  o 15.825  3.1144  38.136    14.335    60.085    22.080    22.142    18.848    19.379  4.3593  12.272  4.4491  7.107267       6.228822 
1 1 1 14  -33 5  o 11.674  2.9364  19.334    12.529    4.2089    20.209    28.779    15.969    9.8170  4.2311  13.532  4.0727  -3.714585      5.872765 
1 1 1 14  -33 6  o 15.262  3.2942  38.638    14.858    32.452    22.869    43.156    19.545    14.181  4.9241  16.342  4.3773  -2.161176      6.588427 
1 1 1 14  -33 7  o 30.445  2.5144  138.616   20.082    149.310   29.153    128.960   27.702    31.616  3.5014  29.273  3.6095  2.343266       5.028773 
1 1 1 14  -33 8  o 11.129  3.0256  14.894    12.439    22.428    20.196    10.288    15.790    12.384  4.5866  9.8732  3.9470  2.511014       6.051112 
1 1 1 14  -33 9  o 9.1657  2.8146  2.3979    12.722    -2.4616   20.604    5.3922    16.173    9.1436  4.0921  9.1878  3.8656  -0.4415035E-01 5.629208 
1 1 1 14  -33 10 o 26.337  2.8465  107.178   19.402    116.383   28.489    99.215    26.497    27.427  3.9954  25.247  4.0555  2.180021       5.692995 
1 1 1 14  -33 11 o 18.942  4.8695  60.282    24.842    0.0000    0.0000    60.282    24.842    ?       ?       18.942  4.8695  ?              ?        
1 1 1 14  -33 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -33 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -33 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -33 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -33 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -33 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -33 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -33 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -33 20 o 42.395  3.5193  275.628   39.602    0.0000    0.0000    275.628   39.602    ?       ?       42.395  3.5193  ?              ?        
1 1 1 14  -33 21 o 21.175  3.8537  79.456    21.141    100.553   36.304    68.631    26.005    22.698  5.9124  19.653  4.9445  3.045717       7.707436 
1 1 1 14  -33 22 o 17.823  3.4241  55.108    17.704    83.256    26.796    33.302    23.584    21.922  4.7043  13.724  4.9767  8.197977       6.848226 
1 1 1 14  -33 23 o 17.701  3.5723  56.469    17.758    71.357    27.411    45.700    23.312    19.639  5.1482  15.763  4.9540  3.875449       7.144684 
1 1 1 14  -33 24 o 21.986  3.4068  89.488    19.911    60.818    29.119    114.663   27.287    17.447  5.5432  26.525  3.9622  -9.077721      6.813643 
1 1 1 14  -33 25 o 8.7031  2.8303  -6.6105   15.525    -18.5322  22.718    3.8345    21.265    7.9173  3.7869  9.4888  4.2073  -1.571486      5.660522 
1 1 1 14  -33 26 o 14.408  3.6644  40.316    17.897    45.515    27.304    36.400    23.698    14.983  5.3648  13.832  4.9929  1.150518       7.328714 
1 1 1 14  -33 27 o 15.562  3.7604  49.081    18.622    57.894    28.988    42.889    24.299    16.452  5.5486  14.672  5.0768  1.779699       7.520706 
1 1 1 14  -33 28 f 17.868  3.7788  65.630    20.260    90.954    30.395    45.385    27.177    21.176  5.3554  14.560  5.3327  6.615623       7.557673 
1 1 1 14  -33 29 o 15.341  3.7197  52.254    19.346    38.106    28.627    64.147    26.246    13.233  5.3059  17.448  5.2145  -4.214605      7.439324 
1 1 1 14  -33 30 f 16.969  3.8404  67.083    20.372    54.428    29.539    78.560    28.132    14.925  5.5431  19.012  5.3167  -4.087623      7.680717 
1 1 1 14  -33 31 o 8.2817  2.7418  -14.7797  15.805    17.550    23.785    -40.3408  21.149    10.394  4.5341  6.1698  3.0840  4.223728       5.483510 
1 1 1 14  -33 32 o 10.810  3.2825  20.027    18.012    42.310    26.365    0.5244    24.665    12.859  5.1133  8.7613  4.1174  4.097679       6.564923 
1 1 1 14  -32 0  o 34.903  2.4064  178.990   22.015    206.454   31.679    153.338   30.617    37.714  3.1653  32.091  3.6255  5.623386       4.812831 
1 1 1 14  -32 1  o 20.565  3.0304  68.166    16.236    46.730    23.420    87.999    22.527    16.854  4.8968  24.276  3.5713  -7.421577      6.060749 
1 1 1 14  -32 2  o 11.279  3.0213  16.520    12.582    13.438    18.950    18.950    16.826    10.936  4.3392  11.622  4.2052  -0.6864681     6.042574 
1 1 1 14  -32 3  f 12.809  3.1126  24.757    12.993    21.022    19.373    27.810    17.516    12.214  4.4980  13.405  4.3035  -1.190835      6.225129 
1 1 1 14  -32 4  o 12.959  2.9603  21.649    13.046    43.310    19.647    4.5660    17.448    16.506  4.3738  9.4125  3.9905  7.093697       5.920625 
1 1 1 14  -32 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -32 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -32 7  o 9.8758  4.1682  5.8852    18.900    5.8852    18.900    0.0000    0.0000    9.8758  4.1682  ?       ?       ?              ?        
1 1 1 14  -32 8  o 15.184  2.5080  32.719    13.872    -14.0885  20.457    72.570    18.875    8.1502  3.8040  22.218  3.2695  -14.06765      5.016033 
1 1 1 14  -32 9  o 21.564  3.0428  73.533    16.882    62.766    24.727    82.934    23.104    19.707  4.7420  23.422  3.8141  -3.715139      6.085570 
1 1 1 14  -32 10 o 19.367  3.1430  61.493    16.275    42.281    24.047    77.730    22.107    16.048  5.0296  22.687  3.7704  -6.639006      6.285933 
1 1 1 14  -32 11 o 22.127  2.9009  75.558    16.516    75.325    24.256    75.760    22.552    21.972  4.2754  22.282  3.9219  -0.3103676     5.801777 
1 1 1 14  -32 12 o 10.456  2.8415  11.148    12.391    -6.6702   19.871    22.484    15.849    8.6547  3.9322  12.257  4.1030  -3.601897      5.683022 
1 1 1 14  -32 13 o 12.641  3.1022  23.811    12.633    24.271    20.306    23.520    16.136    12.812  4.6221  12.471  4.1389  0.3411398      6.204404 
1 1 1 14  -32 14 o 35.617  2.4295  187.355   22.871    183.480   32.698    191.067   32.003    35.176  3.5176  36.058  3.3520  -0.8822632     4.858961 
1 1 1 14  -32 15 o 31.624  2.5261  149.105   21.007    155.426   30.390    143.322   29.070    32.266  3.5765  30.982  3.5683  1.284513       5.052118 
1 1 1 14  -32 16 o 4.8221  1.6991  -23.4815  7.8610    -56.1430  17.290    -14.9699  8.8261    5.0706  2.5653  4.5735  2.2287  0.4971232      3.398216 
1 1 1 14  -32 17 o 12.764  3.1832  25.172    13.534    20.205    22.389    28.032    16.990    12.203  4.7543  13.325  4.2342  -1.122051      6.366468 
1 1 1 14  -32 18 o 8.9519  2.7897  -3.1971   13.078    9.9966    20.490    -12.2675  16.989    10.528  4.3846  7.3757  3.4504  3.152505       5.579483 
1 1 1 14  -32 19 o 30.503  2.7258  144.241   21.483    125.042   30.745    162.557   30.030    28.114  4.2125  32.892  3.4605  -4.777988      5.451633 
1 1 1 14  -32 20 o 12.603  3.3500  24.255    15.448    19.582    23.715    27.699    20.359    12.073  4.8333  13.134  4.6400  -1.061438      6.700061 
1 1 1 14  -32 21 f 10.743  3.0858  13.145    14.081    6.7578    21.389    18.029    18.706    10.137  4.3610  11.350  4.3669  -1.213944      6.171501 
1 1 1 14  -32 22 o 14.124  3.3836  33.321    15.246    41.812    23.118    26.786    20.281    15.405  4.9437  12.843  4.6210  2.561934       6.767161 
1 1 1 14  -32 23 o 21.673  4.8459  81.497    27.425    81.497    27.425    0.0000    0.0000    21.673  4.8459  ?       ?       ?              ?        
1 1 1 14  -32 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -32 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -32 26 o 29.071  3.9233  137.154   29.769    0.0000    0.0000    137.154   29.769    ?       ?       29.071  3.9233  ?              ?        
1 1 1 14  -32 27 o 19.801  3.2629  75.550    19.951    26.284    29.109    119.194   27.398    12.587  5.2328  27.015  3.8993  -14.42791      6.525803 
1 1 1 14  -32 28 o 9.3114  2.9974  -3.2762   16.457    11.349    25.031    -14.4098  21.841    10.642  4.6466  7.9810  3.7876  2.660630       5.994737 
1 1 1 14  -32 29 o 27.545  3.1423  132.779   22.363    142.605   32.450    123.892   30.862    28.624  4.3711  26.466  4.5156  2.158533       6.284670 
1 1 1 14  -32 30 o 19.321  3.6952  75.445    19.743    86.775    28.488    64.975    27.385    21.028  5.1085  17.614  5.3406  3.413620       7.390472 
1 1 1 14  -32 31 o 18.130  3.6375  68.259    20.144    102.062   29.847    39.981    27.299    22.747  5.0322  13.513  5.2539  9.233908       7.275069 
1 1 1 14  -32 32 o 17.274  3.8156  70.220    20.570    54.584    30.535    83.210    27.833    14.730  5.6002  19.819  5.1839  -5.088850      7.631176 
1 1 1 14  -32 33 o 9.4162  3.0095  -3.3833   17.471    32.097    26.072    -32.2987  23.536    11.932  4.9557  6.9002  3.4161  5.031936       6.019029 
1 1 1 14  -32 34 o 7.6763  2.6135  -11.2365  15.892    -7.9772   22.591    -14.4293  22.359    7.8874  3.7735  7.4653  3.6169  0.4221554      5.226988 
1 1 1 14  -31 0  o 12.458  2.9631  21.645    11.954    31.609    17.948    13.701    16.026    14.276  4.3225  10.640  4.0542  3.636097       5.926224 
1 1 1 14  -31 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -31 2  o 29.627  5.7851  146.198   44.261    146.198   44.261    0.0000    0.0000    29.627  5.7851  ?       ?       ?              ?        
1 1 1 14  -31 3  o 11.408  2.8154  17.194    11.511    3.7104    17.648    27.176    15.185    9.4240  4.0052  13.393  3.9580  -3.968779      5.630885 
1 1 1 14  -31 4  o 20.823  2.8419  66.682    15.168    54.665    22.153    77.288    20.811    18.709  4.4800  22.938  3.4979  -4.229202      5.683805 
1 1 1 14  -31 5  o 20.168  3.0048  63.915    15.722    48.307    23.136    77.307    21.431    17.445  4.8005  22.891  3.6154  -5.445679      6.009633 
1 1 1 14  -31 6  o 6.5181  2.1797  -16.6827  9.3239    -4.2849   16.006    -23.0506  11.471    8.0708  3.6097  4.9653  2.4444  3.105459       4.359452 
1 1 1 14  -31 7  o 48.772  2.1522  338.375   27.885    311.721   39.618    364.544   39.256    46.729  3.1843  50.815  2.8962  -4.086380      4.304382 
1 1 1 14  -31 8  o 28.051  2.5035  114.371   18.235    132.837   26.515    97.800    25.118    30.355  3.3151  25.747  3.7525  4.607685       5.007092 
1 1 1 14  -31 9  o 24.302  2.7165  88.314    16.929    77.537    24.484    98.184    23.432    22.625  4.1946  25.979  3.4530  -3.353394      5.433025 
1 1 1 14  -31 10 o 37.741  2.2610  203.631   22.634    209.544   32.421    198.010   31.613    38.283  3.1908  37.199  3.2041  1.084198       4.521912 
1 1 1 14  -31 11 o 21.501  2.9352  69.970    16.283    73.952    23.546    66.320    22.542    22.115  4.1270  20.888  4.1749  1.226212       5.870439 
1 1 1 14  -31 12 o 14.590  3.2089  30.049    14.383    48.265    22.287    17.049    18.828    17.517  4.6663  11.662  4.4062  5.854462       6.417885 
1 1 1 14  -31 13 o 41.494  2.2992  247.286   25.323    237.207   35.975    257.185   35.650    40.576  3.3398  42.413  3.1609  -1.836357      4.598398 
1 1 1 14  -31 14 o 24.583  2.9294  90.827    18.486    108.047   27.268    76.180    25.148    26.924  3.8942  22.241  4.3772  4.682913       5.858738 
1 1 1 14  -31 15 o 11.084  3.0852  13.236    13.456    17.219    19.822    9.8318    18.325    11.760  4.5023  10.407  4.2195  1.353965       6.170479 
1 1 1 14  -31 16 o 18.072  3.1473  52.519    15.548    36.634    22.756    66.426    21.292    15.211  4.9074  20.934  3.9418  -5.723613      6.294522 
1 1 1 14  -31 17 o 34.191  2.5256  172.600   22.587    194.588   31.956    150.650   31.929    36.616  3.2936  31.766  3.8299  4.850689       5.051274 
1 1 1 14  -31 18 o 12.858  3.1545  22.784    13.818    36.058    20.476    11.683    18.725    15.047  4.6289  10.670  4.2867  4.376930       6.308906 
1 1 1 14  -31 19 o 13.712  3.3371  29.129    14.734    28.735    22.884    29.408    19.255    13.700  4.9109  13.724  4.5197  -0.2332878E-01 6.674164 
1 1 1 14  -31 20 o 10.675  3.0272  11.594    13.614    1.7909    20.909    18.807    17.937    9.7021  4.2413  11.647  4.3207  -1.945037      6.054497 
1 1 1 14  -31 21 o 10.672  2.6579  -3.6475   12.852    39.197    19.551    -36.2525  17.056    15.523  4.4637  5.8214  2.8866  9.701746       5.315790 
1 1 1 14  -31 22 o 25.812  2.9688  106.080   19.566    90.996    28.329    119.838   27.055    23.580  4.6506  28.044  3.6916  -4.463421      5.937643 
1 1 1 14  -31 23 o 21.658  3.2024  77.765    17.930    70.008    26.408    84.399    24.422    20.252  4.9175  23.065  4.1035  -2.812475      6.404704 
1 1 1 14  -31 24 o 14.579  3.4746  36.464    16.018    38.414    23.852    34.863    21.618    14.846  5.0330  14.311  4.7917  0.5354462      6.949213 
1 1 1 14  -31 25 o 26.689  2.9843  116.736   20.231    96.890    29.283    134.858   27.982    23.857  4.7497  29.521  3.6144  -5.663946      5.968546 
1 1 1 14  -31 26 o 8.4131  2.7030  -9.7319   13.896    8.4819    20.299    -25.7942  19.062    10.038  4.2816  6.7878  3.3005  3.250697       5.406019 
1 1 1 14  -31 27 o 19.046  5.3399  68.838    28.340    68.838    28.340    0.0000    0.0000    19.046  5.3399  ?       ?       ?              ?        
1 1 1 14  -31 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -31 29 o 20.197  3.4637  78.922    19.878    47.218    28.983    107.082   27.315    15.182  5.5152  25.212  4.1920  -10.03028      6.927460 
1 1 1 14  -31 30 o 17.867  3.4664  61.659    19.161    31.343    27.002    92.412    27.196    12.975  5.1698  22.759  4.6190  -9.784653      6.932703 
1 1 1 14  -31 31 o 8.2500  2.7531  -11.6140  15.942    -17.4762  22.404    -5.6018   22.689    7.8060  3.7407  8.6940  4.0405  -0.8880115     5.506252 
1 1 1 14  -31 32 o 6.5470  2.2927  -35.7251  14.916    -28.2606  21.643    -42.4768  20.584    6.9775  3.4194  6.1165  3.0551  0.8610601      4.585391 
1 1 1 14  -31 33 o 10.653  3.2635  15.977    17.395    7.7467    24.453    24.408    24.750    9.7848  4.4118  11.521  4.8102  -1.735778      6.527051 
1 1 1 14  -31 34 o 21.821  3.6866  101.488   21.324    112.960   30.706    90.800    29.637    23.423  5.0434  20.219  5.3786  3.204103       7.373271 
1 1 1 14  -31 35 o 8.4707  2.8393  -4.5945   17.266    3.0500    24.974    -11.5941  23.898    9.0138  4.2058  7.9276  3.8154  1.086231       5.678559 
1 1 1 14  -31 36 o 9.5545  3.0988  13.168    18.066    21.199    26.002    5.6742    25.118    10.189  4.5757  8.9203  4.1802  1.268312       6.197660 
1 1 1 14  -30 0  o 33.022  2.3120  156.472   20.145    148.821   28.702    163.900   28.280    32.143  3.3846  33.901  3.1505  -1.757572      4.624020 
1 1 1 14  -30 1  o 27.254  2.4142  107.529   17.124    96.021    24.276    118.926   24.159    25.653  3.6347  28.855  3.1786  -3.201216      4.828491 
1 1 1 14  -30 2  o 15.507  3.1416  36.751    13.708    35.455    20.320    37.833    18.569    15.245  4.5955  15.768  4.2849  -0.5231314     6.283205 
1 1 1 14  -30 3  o 34.594  2.2090  169.451   20.241    173.096   29.094    166.031   28.177    34.946  3.1418  34.242  3.1060  0.7041054      4.417948 
1 1 1 14  -30 4  o 14.770  2.8992  32.768    13.096    13.402    19.254    49.440    17.865    11.257  4.4025  18.282  3.7734  -7.025448      5.798343 
1 1 1 14  -30 5  o 11.273  2.9696  15.486    11.987    13.361    18.283    17.090    15.876    11.110  4.3052  11.435  4.0913  -0.3251343     5.939136 
1 1 1 14  -30 6  o 33.762  2.2269  161.195   19.881    170.651   28.290    151.968   27.944    34.793  3.0670  32.731  3.2295  2.061646       4.453769 
1 1 1 14  -30 7  o 29.034  2.2763  119.688   17.401    121.250   24.876    118.192   24.351    29.214  3.2333  28.853  3.2050  0.3601952      4.552646 
1 1 1 14  -30 8  o 24.289  2.5587  85.504    16.109    82.294    23.136    88.524    22.442    23.769  3.7591  24.809  3.4724  -1.039803      5.117424 
1 1 1 14  -30 9  o 23.979  2.6346  83.281    16.338    90.798    23.913    76.701    22.374    25.032  3.6761  22.925  3.7751  2.106709       5.269234 
1 1 1 14  -30 10 o 27.770  2.4877  111.054   17.909    127.427   25.523    95.173    25.137    29.960  3.2317  25.580  3.7828  4.380140       4.975305 
1 1 1 14  -30 11 o 19.965  2.8710  59.087    14.942    86.013    22.058    36.256    20.312    24.446  3.4659  15.484  4.5780  8.961541       5.742002 
1 1 1 14  -30 12 o 26.610  2.5471  102.355   17.664    100.191   25.408    104.380   24.575    26.275  3.7139  26.945  3.4868  -0.6705818     5.094208 
1 1 1 14  -30 13 o 9.4433  2.6225  1.9731    11.828    -26.9468  19.266    19.467    14.984    7.0619  3.4054  11.825  3.9892  -4.762841      5.245067 
1 1 1 14  -30 14 o 19.732  2.8879  57.011    14.860    83.327    22.499    36.647    19.791    23.940  3.6220  15.525  4.4989  8.415018       5.775711 
1 1 1 14  -30 15 o 15.062  3.1705  34.509    14.069    25.582    20.432    42.556    19.401    13.407  4.6544  16.718  4.3062  -3.311550      6.340901 
1 1 1 14  -30 16 o 18.417  3.2202  53.111    16.179    37.805    23.359    67.225    22.431    15.664  4.9635  21.170  4.1039  -5.506069      6.440312 
1 1 1 14  -30 17 o 30.659  2.4309  135.923   19.507    150.228   27.646    121.737   27.530    32.413  3.2273  28.906  3.6362  3.506662       4.861849 
1 1 1 14  -30 18 o 11.543  3.1263  15.920    13.477    16.443    20.011    15.486    18.232    11.737  4.5163  11.348  4.3243  0.3885574      6.252700 
1 1 1 14  -30 19 o 26.358  2.7561  105.107   18.389    83.258    26.584    125.152   25.463    23.273  4.4265  29.443  3.2849  -6.170012      5.512150 
1 1 1 14  -30 20 o 23.494  2.7553  82.732    16.715    85.693    24.310    80.077    23.018    23.872  3.9394  23.116  3.8534  0.7567520      5.510650 
1 1 1 14  -30 21 o 24.562  2.9153  92.780    17.813    135.818   26.143    55.485    24.336    30.597  3.2392  18.527  4.8479  12.06943       5.830513 
1 1 1 14  -30 22 f 14.707  3.3338  34.523    14.894    32.016    22.174    36.585    20.105    14.272  4.8527  15.141  4.5727  -0.8698683     6.667664 
1 1 1 14  -30 23 o 25.011  2.8982  98.982    18.191    75.825    26.725    118.972   24.830    21.606  4.7476  28.415  3.3253  -6.808485      5.796311 
1 1 1 14  -30 24 o 11.939  3.1838  19.154    14.521    7.9183    21.668    28.315    19.565    10.485  4.4463  13.392  4.5582  -2.906224      6.367615 
1 1 1 14  -30 25 o 15.939  3.4690  43.500    16.284    40.545    24.627    45.797    21.707    15.362  5.1139  16.515  4.6887  -1.152842      6.937985 
1 1 1 14  -30 26 o 11.134  3.1954  12.853    15.227    24.724    22.548    2.9006    20.646    12.676  4.8140  9.5928  4.2035  3.082725       6.390894 
1 1 1 14  -30 27 o 16.038  3.0511  41.097    15.886    75.225    23.063    10.289    21.913    21.523  4.1510  10.553  4.4729  10.97012       6.102299 
1 1 1 14  -30 28 o 13.732  3.3797  31.983    16.540    14.329    24.277    47.279    22.597    11.200  4.7253  16.265  4.8333  -5.064923      6.759415 
1 1 1 14  -30 29 o 14.617  3.4438  36.756    16.816    57.615    24.958    19.416    22.756    17.645  5.0338  11.589  4.7010  6.055549       6.887598 
1 1 1 14  -30 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -30 31 o 13.093  4.9064  31.552    23.245    0.0000    0.0000    31.552    23.245    ?       ?       13.093  4.9064  ?              ?        
1 1 1 14  -30 32 o 13.617  3.4978  35.331    17.162    46.937    23.954    23.092    24.599    15.413  5.0394  11.821  4.8521  3.591911       6.995551 
1 1 1 14  -30 33 o 9.7115  3.0533  2.6690    16.874    -15.8942  24.318    19.904    23.432    8.1893  3.9172  11.234  4.6846  -3.044521      6.106545 
1 1 1 14  -30 34 o 17.165  3.6642  63.895    19.931    39.653    28.446    87.270    27.933    13.405  5.3173  20.926  5.0429  -7.521441      7.328308 
1 1 1 14  -30 35 o 11.381  3.3388  22.646    17.527    38.250    24.880    7.2760    24.694    13.121  5.0391  9.6409  4.3815  3.480145       6.677604 
1 1 1 14  -30 36 o 19.273  3.7791  87.195    20.687    72.952    29.648    100.709   28.880    16.860  5.6110  21.685  5.0639  -4.824654      7.558183 
1 1 1 14  -30 37 o 9.3167  3.0160  2.5222    18.402    -27.5679  26.279    31.471    25.776    7.3107  3.6176  11.323  4.8269  -4.011980      6.032082 
1 1 1 14  -29 0  o 16.365  2.9721  40.329    13.173    34.817    19.008    45.421    18.272    15.245  4.4064  17.484  3.9896  -2.239751      5.944220 
1 1 1 14  -29 1  o 42.564  2.1126  253.680   23.829    228.387   33.664    279.079   33.734    40.331  3.1410  44.796  2.8260  -4.465225      4.225174 
1 1 1 14  -29 2  o 33.633  2.1597  158.539   19.239    159.169   27.502    157.935   26.923    33.685  3.0824  33.580  3.0258  0.1044350      4.319303 
1 1 1 14  -29 3  o 8.4496  2.5347  1.4256    10.044    -3.9131   15.607    5.2002    13.123    8.1236  3.6030  8.7756  3.5662  -0.6520205     5.069488 
1 1 1 14  -29 4  o 43.679  2.0545  265.270   23.880    257.206   34.055    273.070   33.495    42.984  2.9762  44.373  2.8330  -1.389385      4.108973 
1 1 1 14  -29 5  o 52.389  2.0546  380.872   28.698    371.073   40.959    390.320   40.220    51.684  2.9713  53.094  2.8385  -1.410164      4.109178 
1 1 1 14  -29 6  o 11.039  2.8823  14.384    11.232    15.526    16.616    13.424    15.241    11.342  4.1675  10.735  3.9827  0.6075811      5.764518 
1 1 1 14  -29 7  o 21.306  2.7016  67.980    14.504    44.122    20.783    90.629    20.250    17.197  4.4706  25.415  3.0347  -8.217995      5.403266 
1 1 1 14  -29 8  o 8.2094  2.5109  -2.1275   10.545    -12.5079  16.252    5.4195    13.858    7.4065  3.4344  9.0124  3.6638  -1.605886      5.021831 
1 1 1 14  -29 9  o 15.507  2.8421  35.961    12.552    20.336    18.325    49.768    17.227    12.459  4.4021  18.554  3.5962  -6.095221      5.684284 
1 1 1 14  -29 10 o 11.113  2.7309  12.302    10.896    28.042    16.372    -0.2106   14.598    13.886  4.1114  8.3409  3.5955  5.544651       5.461779 
1 1 1 14  -29 11 o 21.646  2.7718  67.809    15.370    85.072    22.543    52.815    21.010    24.407  3.5527  18.885  4.2555  5.521595       5.543560 
1 1 1 14  -29 12 o 10.046  2.8431  7.0130    11.331    14.051    18.642    2.8893    14.270    11.391  4.3649  8.7002  3.6442  2.690722       5.686193 
1 1 1 14  -29 13 o 28.830  2.4358  117.740   18.415    125.336   26.596    110.744   25.521    29.753  3.3982  27.906  3.4908  1.847113       4.871691 
1 1 1 14  -29 14 o 73.514  2.2707  754.154   44.711    750.843   63.163    757.480   63.299    73.349  3.2150  73.680  3.2075  -0.3304520     4.541373 
1 1 1 14  -29 15 f 30.116  2.6973  131.355   20.963    152.382   29.581    110.141   29.712    32.784  3.4190  27.448  4.1728  5.335897       5.394625 
1 1 1 14  -29 16 o 36.023  2.2578  182.885   21.536    187.279   30.062    178.253   30.867    36.519  3.1027  35.526  3.2808  0.9927750      4.515593 
1 1 1 14  -29 17 o 63.661  2.1791  567.503   37.043    592.256   52.043    542.084   52.737    65.190  2.9805  62.132  3.1796  3.058395       4.358136 
1 1 1 14  -29 18 o 31.710  2.3448  143.012   19.616    147.076   27.930    139.056   27.556    32.174  3.2872  31.246  3.3446  0.9280968      4.689517 
1 1 1 14  -29 19 o 36.509  2.2579  188.932   21.856    190.221   30.847    187.633   30.972    36.646  3.1739  36.371  3.2123  0.2754707      4.515818 
1 1 1 14  -29 20 o 41.298  2.1628  241.026   23.753    239.521   33.656    242.520   33.529    41.157  3.0753  41.438  3.0421  -0.2814445     4.325690 
1 1 1 14  -29 21 o 30.065  2.4754  132.489   19.152    109.205   27.581    154.169   26.614    27.189  3.8989  32.940  3.0511  -5.750549      4.950806 
1 1 1 14  -29 22 o 12.968  3.2336  24.093    13.982    22.027    20.938    25.756    18.785    12.713  4.6771  13.222  4.4666  -0.5086737     6.467237 
1 1 1 14  -29 23 o 46.297  2.1879  306.501   26.966    302.147   38.431    310.723   37.846    45.925  3.1431  46.668  3.0444  -0.7429390     4.375782 
1 1 1 14  -29 24 o 20.388  3.1831  65.596    16.869    65.289    24.977    65.854    22.875    20.205  4.7032  20.572  4.2904  -0.3662491     6.366192 
1 1 1 14  -29 25 o 25.527  2.7791  98.595    18.333    109.303   27.172    89.648    24.838    26.837  3.8937  24.217  3.9666  2.620331       5.558285 
1 1 1 14  -29 26 o 16.734  3.0858  41.955    16.099    78.717    24.121    12.421    21.620    22.401  4.1735  11.067  4.5463  11.33463       6.171504 
1 1 1 14  -29 27 f 19.272  3.2787  63.016    17.480    39.410    24.937    85.822    24.511    15.179  5.1462  23.365  4.0640  -8.186335      6.557365 
1 1 1 14  -29 28 o 28.169  2.7588  124.518   20.127    113.250   28.738    135.364   28.196    26.628  4.1658  29.709  3.6181  -3.080833      5.517648 
1 1 1 14  -29 29 o 24.545  3.0940  99.860    19.205    136.365   27.919    67.072    26.459    29.698  3.5821  19.391  5.0458  10.30675       6.188019 
1 1 1 14  -29 30 o 14.068  3.4903  35.229    16.441    28.960    23.146    41.613    23.357    13.035  4.8937  15.101  4.9781  -2.066046      6.980699 
1 1 1 14  -29 31 o 8.6688  2.7973  -7.6825   15.056    8.0070    21.186    -23.6915  21.400    9.9730  4.3152  7.3646  3.5607  2.608407       5.594566 
1 1 1 14  -29 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -29 33 f 10.557  2.8291  -1.6772   15.620    -55.4000  23.410    41.431    20.970    6.2634  3.1467  14.850  4.7025  -8.586876      5.658137 
1 1 1 14  -29 34 o 17.638  3.5252  61.151    18.729    87.959    27.271    37.220    25.766    21.702  4.8172  13.573  5.1482  8.128217       7.050501 
1 1 1 14  -29 35 o 11.724  3.4421  24.219    18.086    15.698    25.905    32.322    25.263    10.774  4.7151  12.673  5.0160  -1.899239      6.884246 
1 1 1 14  -29 36 o 8.3135  2.8095  -11.8660  17.605    -10.7325  25.263    -12.9360  24.546    8.4316  4.0218  8.1954  3.9242  0.2362480      5.619098 
1 1 1 14  -29 37 o 9.2071  3.0021  4.3886    17.243    -1.0554   24.071    10.127    24.713    8.7350  4.0929  9.6793  4.3929  -0.9443655     6.004164 
1 1 1 14  -29 38 o 10.294  3.2933  19.866    19.441    26.240    28.395    14.242    26.674    10.805  4.8221  9.7830  4.4868  1.022352       6.586652 
1 1 1 14  -28 0  o 45.141  2.0729  282.436   24.907    270.713   35.255    294.119   35.194    44.167  2.9978  46.114  2.8635  -1.947006      4.145705 
1 1 1 14  -28 1  o 18.330  2.6940  48.655    12.869    65.992    18.809    33.399    17.644    21.558  3.3675  15.102  4.2061  6.455967       5.388093 
1 1 1 14  -28 2  o 34.393  2.1018  164.295   19.143    156.073   27.216    172.346   26.931    33.496  3.0676  35.290  2.8741  -1.793491      4.203637 
1 1 1 14  -28 3  o 30.125  2.2046  127.149   17.388    111.889   24.777    141.959   24.409    28.231  3.3415  32.019  2.8768  -3.787994      4.409271 
1 1 1 14  -28 4  o 28.680  2.1798  115.180   16.332    100.281   23.211    129.793   22.986    26.729  3.3130  30.630  2.8338  -3.900877      4.359600 
1 1 1 14  -28 5  f 17.506  2.7827  43.910    12.761    54.694    19.039    35.112    17.196    19.491  3.7832  15.521  4.0819  3.970375       5.565481 
1 1 1 14  -28 6  o 52.173  2.0461  374.783   28.478    381.785   40.358    367.839   40.190    52.670  2.8716  51.675  2.9156  0.9949875      4.092253 
1 1 1 14  -28 7  o 24.336  2.4410  83.317    15.389    94.507    22.388    73.293    21.190    25.961  3.2937  22.711  3.6037  3.249744       4.882090 
1 1 1 14  -28 8  o 15.784  2.8537  36.365    12.099    34.661    17.865    37.808    16.445    15.426  4.2074  16.141  3.8564  -0.7154722     5.707403 
1 1 1 14  -28 9  o 24.330  2.4962  83.667    15.782    87.602    22.607    79.927    22.043    24.914  3.4830  23.747  3.5765  1.167381       4.992303 
1 1 1 14  -28 10 o 31.981  2.2135  142.621   18.622    128.003   26.358    157.189   26.312    30.260  3.3059  33.703  2.9443  -3.443850      4.426903 
1 1 1 14  -28 11 o 15.218  3.0939  33.743    13.270    32.529    19.662    34.758    17.983    15.000  4.5201  15.436  4.2259  -0.4364223     6.187876 
1 1 1 14  -28 12 o 18.167  3.0170  48.314    14.424    51.247    20.898    45.645    19.935    18.698  4.2668  17.636  4.2665  1.062141       6.033925 
1 1 1 14  -28 13 o 58.378  2.1125  470.133   32.959    481.902   46.466    458.215   46.757    59.180  2.9313  57.575  3.0428  1.604679       4.225061 
1 1 1 14  -28 14 f 13.294  2.7200  19.440    11.831    46.641    18.519    0.6847    15.378    17.885  3.9694  8.7037  3.7198  9.181586       5.439971 
1 1 1 14  -28 15 o 11.488  2.8406  12.761    11.689    29.865    17.868    -0.0341   15.454    14.358  4.3051  8.6168  3.7070  5.741570       5.681160 
1 1 1 14  -28 16 o 15.365  3.0072  34.929    13.730    17.581    20.192    49.846    18.724    12.240  4.5757  18.491  3.9032  -6.250197      6.014312 
1 1 1 14  -28 17 o 43.921  2.1059  268.289   24.570    287.067   34.682    249.370   34.813    45.534  2.8582  42.308  3.0936  3.225716       4.211845 
1 1 1 14  -28 18 o 13.981  2.9001  27.604    13.200    6.0047    19.654    45.354    17.817    10.377  4.3057  17.584  3.8863  -7.207042      5.800208 
1 1 1 14  -28 19 o 27.018  2.4641  103.952   17.348    115.118   24.955    93.508    24.134    28.508  3.3309  25.528  3.6320  2.980715       4.928127 
1 1 1 14  -28 20 o 41.003  2.1300  235.229   23.227    233.048   32.975    237.376   32.722    40.798  3.0393  41.209  2.9848  -0.4103851     4.259899 
1 1 1 14  -28 21 o 15.000  2.8858  28.001    14.262    62.121    21.424    0.8447    19.113    20.470  4.0509  9.5303  4.1112  10.93986       5.771594 
1 1 1 14  -28 22 o 39.298  2.1871  219.049   22.674    195.302   32.460    241.676   31.685    37.056  3.3051  41.541  2.8652  -4.484680      4.374119 
1 1 1 14  -28 23 o 36.308  2.2334  187.322   21.503    189.390   30.501    185.280   30.320    36.514  3.1494  36.102  3.1676  0.4125710      4.466774 
1 1 1 14  -28 24 o 14.074  3.2801  29.608    14.292    32.339    21.261    27.356    19.304    14.569  4.7469  13.578  4.5280  0.9910440      6.560158 
1 1 1 14  -28 25 o 15.468  2.5591  31.427    14.884    -20.7225  21.816    76.845    20.359    8.0329  3.8044  22.904  3.4237  -14.87090      5.118115 
1 1 1 14  -28 26 o 27.412  2.6585  111.746   18.948    123.282   27.635    101.510   26.031    28.829  3.6615  25.995  3.8554  2.833845       5.317011 
1 1 1 14  -28 27 o 17.731  3.3190  50.917    15.977    54.699    23.575    47.705    21.728    18.302  4.7631  17.160  4.6233  1.142189       6.637907 
1 1 1 14  -28 28 o 20.635  3.2089  69.082    17.254    65.695    24.762    72.278    24.054    19.995  4.7026  21.275  4.3675  -1.279976      6.417869 
1 1 1 14  -28 29 o 14.277  3.4277  34.011    15.668    32.164    22.508    35.747    21.823    13.959  4.8830  14.595  4.8119  -0.6361780     6.855476 
1 1 1 14  -28 30 o 25.045  2.9826  101.541   18.977    127.073   27.323    77.749    26.376    28.694  3.6368  21.396  4.7284  7.297577       5.965203 
1 1 1 14  -28 31 o 8.5730  2.6958  -9.5420   13.861    13.774    19.448    -33.6127  19.760    10.627  4.3326  6.5188  3.2090  4.108400       5.391538 
1 1 1 14  -28 32 o 9.0829  2.9005  -0.9292   14.995    0.9358    21.768    -2.6134   20.686    9.3430  4.1919  8.8228  4.0099  0.5201778      5.801014 
1 1 1 14  -28 33 o 17.648  5.3522  61.688    27.502    61.688    27.502    0.0000    0.0000    17.648  5.3522  ?       ?       ?              ?        
1 1 1 14  -28 34 o 13.259  5.1318  33.655    25.954    0.0000    0.0000    33.655    25.954    ?       ?       13.259  5.1318  ?              ?        
1 1 1 14  -28 35 o 9.9064  2.9736  -4.1658   16.617    -42.6581  23.764    32.665    23.245    6.7725  3.3665  13.040  4.9026  -6.267929      5.947214 
1 1 1 14  -28 36 o 15.085  3.6047  46.340    19.173    72.963    27.709    21.886    26.556    18.700  5.2932  11.469  4.8945  7.231652       7.209356 
1 1 1 14  -28 37 o 11.729  3.4230  24.031    18.580    5.0376    26.170    43.335    26.384    9.6558  4.4343  13.803  5.2157  -4.146945      6.845930 
1 1 1 14  -28 38 o 10.506  3.3171  18.040    19.048    15.811    28.102    19.935    25.908    10.364  4.6960  10.648  4.6861  -0.2838573     6.634189 
1 1 1 14  -28 39 o 20.838  4.0245  111.272   23.177    104.888   32.869    117.586   32.687    19.799  5.8152  21.878  5.5650  -2.079165      8.048909 
1 1 1 14  -27 0  o 24.188  2.4364  82.344    15.291    90.519    21.946    74.630    21.318    25.422  3.3009  22.954  3.5844  2.467121       4.872765 
1 1 1 14  -27 1  o 13.584  2.7653  26.305    10.641    29.313    15.168    23.390    14.933    14.269  3.8706  12.899  3.9505  1.369904       5.530667 
1 1 1 14  -27 2  o 32.031  2.0992  141.852   17.708    159.132   25.282    125.212   24.809    34.017  2.7997  30.046  3.1286  3.970528       4.198365 
1 1 1 14  -27 3  o 30.686  2.1806  131.372   17.412    108.262   24.642    154.414   24.607    27.847  3.3726  33.524  2.7650  -5.676886      4.361148 
1 1 1 14  -27 4  o 36.372  2.0181  181.673   19.492    190.282   27.958    173.530   27.189    37.224  2.8252  35.520  2.8826  1.703880       4.036226 
1 1 1 14  -27 5  o 26.663  2.1948  98.526    15.363    104.792   22.174    92.742    21.305    27.499  3.0625  25.826  3.1448  1.672503       4.389622 
1 1 1 14  -27 6  o 12.722  2.9029  21.832    11.333    26.472    16.490    17.680    15.600    13.693  4.1426  11.751  4.0677  1.942725       5.805783 
1 1 1 14  -27 7  o 7.9244  2.3833  -4.6723   9.2645    8.9871    14.588    -13.9059  11.994    9.8918  3.8421  5.9571  2.8212  3.934674       4.766651 
1 1 1 14  -27 8  o 8.5958  3.4632  4.9417    12.260    0.0000    0.0000    4.9417    12.260    ?       ?       8.5958  3.4632  ?              ?        
1 1 1 14  -27 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 17 o 42.395  2.8915  247.929   32.638    0.0000    0.0000    247.929   32.638    ?       ?       42.395  2.8915  ?              ?        
1 1 1 14  -27 18 o 11.291  2.9498  14.558    12.033    8.3464    17.856    19.726    16.287    10.408  4.1844  12.173  4.1587  -1.764956      5.899523 
1 1 1 14  -27 19 o 22.533  2.5822  72.542    15.041    76.522    21.665    68.839    20.898    23.157  3.6107  21.910  3.6923  1.247364       5.164338 
1 1 1 14  -27 20 o 20.456  2.7908  62.278    14.584    49.530    21.609    72.943    19.764    18.246  4.4593  22.666  3.3569  -4.420237      5.581619 
1 1 1 14  -27 21 o 19.131  2.9298  55.095    14.674    40.055    21.233    68.846    20.303    16.370  4.6335  21.892  3.5868  -5.521233      5.859553 
1 1 1 14  -27 22 o 69.543  2.1861  673.838   40.696    655.932   57.960    691.250   57.155    68.575  3.1555  70.510  3.0263  -1.934807      4.372167 
1 1 1 14  -27 23 o 47.469  2.0740  314.145   26.220    331.665   37.778    297.862   36.420    48.766  2.9054  46.171  2.9606  2.595104       4.148021 
1 1 1 14  -27 24 o 16.878  3.1693  43.918    14.754    35.321    21.818    51.163    20.028    15.293  4.7904  18.462  4.1510  -3.169043      6.338664 
1 1 1 14  -27 25 o 30.754  2.3703  135.837   19.164    128.426   27.340    142.995   26.870    29.840  3.4864  31.669  3.2122  -1.829473      4.740582 
1 1 1 14  -27 26 o 10.193  2.9160  5.6683    12.903    18.907    19.202    -5.2295   17.422    12.045  4.4701  8.3411  3.7457  3.703481       5.831990 
1 1 1 14  -27 27 o 17.569  3.2722  48.929    15.597    47.334    23.016    50.284    21.210    17.215  4.8072  17.924  4.4407  -0.7087440     6.544374 
1 1 1 14  -27 28 o 25.008  2.7564  93.813    17.760    108.790   26.249    81.168    24.119    26.979  3.7325  23.037  4.0569  3.941389       5.512706 
1 1 1 14  -27 29 o 28.388  2.6132  122.710   18.884    97.745    27.036    146.491   26.387    25.086  4.1700  31.689  3.1505  -6.603321      5.226325 
1 1 1 14  -27 30 o 30.819  2.5167  143.324   20.355    139.084   29.258    147.302   28.337    30.251  3.6872  31.387  3.4263  -1.136240      5.033407 
1 1 1 14  -27 31 o 22.218  3.1910  84.521    18.594    48.926    26.398    119.569   26.195    16.490  5.2819  27.946  3.5820  -11.45538      6.381947 
1 1 1 14  -27 32 o 14.668  3.2949  35.288    16.503    59.603    23.506    11.648    23.177    18.514  4.7244  10.821  4.5942  7.692751       6.589860 
1 1 1 14  -27 33 o 23.304  3.2022  92.664    19.208    126.471   28.314    63.844    26.143    28.048  3.8722  18.559  5.1011  9.488600       6.404316 
1 1 1 14  -27 34 o 10.707  3.0663  5.2990    15.943    35.853    23.109    -22.4524  22.024    13.880  4.9392  7.5336  3.6348  6.346715       6.132513 
1 1 1 14  -27 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -27 36 o 7.8610  2.6636  -17.4711  16.072    -14.0325  22.859    -20.8324  22.601    8.0973  3.8522  7.6246  3.6796  0.4726682      5.327131 
1 1 1 14  -27 37 o 12.082  3.1708  16.567    17.583    55.164    24.583    -23.8648  25.161    16.350  5.0789  7.8134  3.7975  8.536768       6.341630 
1 1 1 14  -27 38 o 9.5512  3.0881  -1.7813   18.563    23.958    26.908    -25.1542  25.641    11.405  4.8986  7.6975  3.7615  3.707314       6.176123 
1 1 1 14  -27 39 o 9.9192  3.1942  11.575    18.758    16.058    26.098    6.7830    26.981    10.268  4.5996  9.5706  4.4334  0.6972656      6.388326 
1 1 1 14  -27 40 o 10.633  3.3477  22.316    20.205    2.2343    28.966    41.345    28.196    9.0525  4.3148  12.214  5.1196  -3.160992      6.695349 
1 1 1 14  -26 0  o 11.710  2.8059  16.685    10.804    25.347    15.903    9.2616    14.722    13.436  4.0689  9.9837  3.8648  3.452745       5.611818 
1 1 1 14  -26 1  o 31.407  2.1191  136.898   17.409    116.866   24.850    156.204   24.395    29.038  3.2507  33.776  2.7196  -4.737478      4.238286 
1 1 1 14  -26 2  o 44.050  1.9711  265.121   23.133    272.250   32.973    258.212   32.463    44.641  2.7714  43.460  2.8037  1.180519       3.942219 
1 1 1 14  -26 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -26 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -26 5  o 21.825  5.4032  70.124    31.418    70.124    31.418    0.0000    0.0000    21.825  5.4032  ?       ?       ?              ?        
1 1 1 14  -26 6  o 64.133  2.0541  560.452   35.279    551.383   50.025    569.425   49.761    63.605  2.9364  64.661  2.8731  -1.056213      4.108194 
1 1 1 14  -26 7  o 37.337  1.9852  191.049   19.643    208.277   27.830    173.948   27.729    39.062  2.6761  35.612  2.9330  3.449818       3.970423 
1 1 1 14  -26 8  o 12.548  2.8075  21.473    10.916    13.620    16.255    27.924    14.733    11.095  4.1137  14.001  3.8216  -2.905890      5.614929 
1 1 1 14  -26 9  o 13.947  2.7384  27.616    11.301    14.007    16.487    39.677    15.521    11.205  4.1452  16.689  3.5794  -5.484426      5.476736 
1 1 1 14  -26 10 o 19.284  2.5844  52.807    12.852    51.314    18.439    54.218    17.923    18.985  3.7591  19.582  3.5478  -0.5974922     5.168890 
1 1 1 14  -26 11 o 26.999  2.2709  101.573   15.940    87.297    22.538    115.858   22.545    24.994  3.4594  29.004  2.9429  -4.009487      4.541789 
1 1 1 14  -26 12 o 24.304  2.4476  82.943    15.398    74.321    21.856    91.440    21.698    22.958  3.6785  25.650  3.2298  -2.692373      4.895203 
1 1 1 14  -26 13 o 51.873  2.0334  368.121   28.137    367.207   39.452    369.068   40.140    51.815  2.8537  51.930  2.8974  -0.1149864     4.066728 
1 1 1 14  -26 14 o 57.749  2.0273  455.672   31.295    454.472   43.671    456.938   44.870    57.721  2.8247  57.777  2.9087  -0.5637741E-01 4.054595 
1 1 1 14  -26 15 o 67.535  2.1028  623.708   38.032    615.614   53.272    632.122   54.315    67.093  2.9644  67.977  2.9831  -0.8846970     4.205505 
1 1 1 14  -26 16 o 10.663  2.8644  11.639    11.216    13.059    17.001    10.546    14.924    11.084  4.1872  10.241  3.9099  0.8424015      5.728870 
1 1 1 14  -26 17 o 20.405  2.7837  59.767    14.608    77.310    21.251    44.051    20.114    23.424  3.4939  17.385  4.3345  6.039495       5.567331 
1 1 1 14  -26 18 o 40.547  2.0397  226.502   21.963    242.159   31.069    210.864   31.051    41.995  2.7778  39.099  2.9876  2.895931       4.079456 
1 1 1 14  -26 19 o 56.051  2.8752  431.857   43.021    431.857   43.021    0.0000    0.0000    56.051  2.8752  ?       ?       ?              ?        
1 1 1 14  -26 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -26 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -26 22 o 65.530  2.7123  613.446   44.000    583.393   76.822    628.117   53.676    63.614  4.5384  67.447  2.9712  -3.833183      5.424511 
1 1 1 14  -26 23 o 39.560  2.0936  217.615   22.005    228.877   31.351    206.680   30.892    40.603  2.9019  38.518  3.0185  2.084587       4.187147 
1 1 1 14  -26 24 o 13.802  3.1889  26.922    13.548    31.488    20.211    23.197    18.256    14.656  4.6138  12.947  4.4031  1.708990       6.377702 
1 1 1 14  -26 25 o 10.110  2.7025  2.1102    12.391    -23.6977  17.992    25.397    17.091    6.9580  3.3391  13.262  4.2501  -6.304165      5.404909 
1 1 1 14  -26 26 o 13.950  3.0223  25.859    13.761    46.927    20.141    7.4105    18.847    17.597  4.3078  10.304  4.2402  7.293661       6.044523 
1 1 1 14  -26 27 o 16.288  3.2474  40.757    14.777    45.363    21.694    36.769    20.184    17.102  4.6246  15.474  4.5603  1.628112       6.494877 
1 1 1 14  -26 28 o 12.208  3.0455  18.509    13.907    -0.4687   20.857    33.700    18.661    9.6239  4.2208  14.792  4.3916  -5.168192      6.091054 
1 1 1 14  -26 29 o 24.285  2.7923  88.973    17.524    90.778    25.404    87.333    24.206    24.480  4.0134  24.090  3.8835  0.3904381      5.584677 
1 1 1 14  -26 30 o 14.880  3.2290  33.873    15.271    52.956    21.990    16.097    21.224    18.150  4.5360  11.610  4.5969  6.539909       6.458048 
1 1 1 14  -26 31 o 15.688  3.1528  37.965    15.336    63.767    22.666    16.179    20.828    19.923  4.3680  11.454  4.5478  8.468657       6.305700 
1 1 1 14  -26 32 o 40.244  2.3797  242.695   25.413    244.341   36.275    241.108   35.613    40.350  3.3878  40.138  3.3430  0.2127113      4.759457 
1 1 1 14  -26 33 o 10.718  3.2026  10.826    15.999    4.1674    22.866    17.212    22.393    9.9836  4.3979  11.452  4.6568  -1.468761      6.405223 
1 1 1 14  -26 34 o 16.608  3.6616  51.972    18.072    55.163    25.762    48.881    25.359    17.122  5.1773  16.094  5.1792  1.027948       7.323166 
1 1 1 14  -26 35 o 10.568  3.2043  11.461    16.457    17.605    22.393    4.2455    24.268    11.200  4.6170  9.9364  4.4444  1.263482       6.408527 
1 1 1 14  -26 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -26 37 o 9.6878  3.0165  -4.3228   17.329    -37.4713  24.918    26.727    24.116    7.1984  3.5548  12.177  4.8744  -4.978877      6.032948 
1 1 1 14  -26 38 o 9.2307  3.0067  -0.1564   17.222    -4.2742   24.149    4.1060    24.569    8.8699  4.1376  9.5915  4.3635  -0.7215519     6.013322 
1 1 1 14  -26 39 o 15.476  3.9972  59.643    21.907    73.540    31.898    47.236    30.140    17.096  5.8202  13.856  5.4806  3.239113       7.994460 
1 1 1 14  -26 40 o 14.143  3.9167  55.500    22.049    45.093    31.753    65.191    30.641    12.868  5.4154  15.418  5.6601  -2.550127      7.833433 
1 1 1 14  -26 41 o 9.0208  3.0412  3.4640    20.376    3.6368    28.507    3.2835    29.136    9.0106  4.2909  9.0311  4.3109  -0.2042103E-01 6.082414 
1 1 1 14  -25 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -25 1  o 41.958  2.3147  241.104   24.905    239.215   31.351    244.335   41.000    41.870  2.8118  42.046  3.6776  -0.1755981     4.629387 
1 1 1 14  -25 2  o 33.285  1.9844  151.570   17.515    146.167   24.848    156.905   24.691    32.676  2.8681  33.894  2.7433  -1.217594      3.968865 
1 1 1 14  -25 3  o 132.952 2.9653  2440.48   105.591   2453.59   150.169   2427.66   148.503   133.293 4.2061  132.611 4.1809  0.6820831      5.930535 
1 1 1 14  -25 4  o 9.4725  2.5912  8.0387    9.3956    5.7378    13.667    10.101    12.938    9.1434  3.6661  9.8017  3.6629  -0.6583652     5.182418 
1 1 1 14  -25 5  o 9.9805  2.2669  8.1530    9.0393    -14.6628  13.707    25.713    12.025    6.4936  3.0572  13.467  3.3479  -6.973769      4.533771 
1 1 1 14  -25 6  o 68.132  2.0769  630.696   37.899    635.915   53.888    625.588   53.312    68.410  2.9410  67.854  2.9333  0.5552139      4.153744 
1 1 1 14  -25 7  o 51.355  1.9669  358.816   26.947    369.164   38.239    348.607   37.981    52.102  2.7498  50.608  2.8130  1.493408       3.933769 
1 1 1 14  -25 8  o 34.454  2.0591  162.842   18.709    182.589   26.524    143.287   26.395    36.598  2.7253  32.311  3.0874  4.287296       4.118208 
1 1 1 14  -25 9  o 53.551  1.9886  390.240   28.415    378.258   40.025    402.415   40.346    52.710  2.8455  54.392  2.7786  -1.681980      3.977130 
1 1 1 14  -25 10 o 29.439  2.1444  119.115   16.650    125.178   23.638    113.144   23.456    30.208  2.9594  28.670  3.1040  1.537806       4.288719 
1 1 1 14  -25 11 o 31.741  2.2337  141.369   18.086    178.142   25.459    103.902   25.698    36.156  2.6473  27.326  3.5987  8.830488       4.467499 
1 1 1 14  -25 12 o 100.494 2.4446  1382.05   65.775    1426.23   93.008    1337.85   93.031    102.136 3.3998  98.853  3.5136  3.283699       4.889152 
1 1 1 14  -25 13 o 32.454  2.1030  144.621   18.058    147.149   25.121    141.917   25.976    32.771  2.8916  32.137  3.0544  0.6342659      4.206030 
1 1 1 14  -25 14 o 26.647  2.2411  98.190    15.671    93.738    21.958    102.811   22.372    26.010  3.2207  27.284  3.1173  -1.273952      4.482259 
1 1 1 14  -25 15 o 89.260  2.2955  1089.83   54.878    1093.34   77.359    1086.27   77.863    89.414  3.2301  89.106  3.2624  0.3079529      4.590934 
1 1 1 14  -25 16 o 28.273  2.2158  110.496   16.481    116.692   23.541    104.539   23.082    29.077  3.0690  27.469  3.1970  1.607752       4.431641 
1 1 1 14  -25 17 o 28.939  2.1390  115.559   16.316    122.713   23.350    108.735   22.807    29.841  2.9604  28.038  3.0881  1.803125       4.277953 
1 1 1 14  -25 18 o 35.923  1.9922  177.085   19.015    176.489   26.896    177.681   26.886    35.860  2.8230  35.986  2.8117  -0.1252251     3.984308 
1 1 1 14  -25 19 o 33.543  2.1235  156.975   18.476    123.371   26.123    190.615   26.137    29.770  3.3332  37.316  2.6318  -7.546242      4.247001 
1 1 1 14  -25 20 o 11.434  2.8539  14.143    11.579    25.961    16.782    3.4039    15.998    13.575  4.1930  9.2930  3.8726  4.282424       5.707742 
1 1 1 14  -25 21 o 53.816  1.9972  397.722   28.677    392.664   40.932    402.599   40.190    53.458  2.8691  54.174  2.7791  -0.7160873     3.994395 
1 1 1 14  -25 22 o 26.483  2.3822  98.455    16.506    100.462   23.822    96.602    22.893    26.733  3.4042  26.232  3.3334  0.5003738      4.764473 
1 1 1 14  -25 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -25 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -25 25 o 31.836  2.2370  141.648   18.626    168.635   27.228    117.913   25.535    34.793  2.9494  28.879  3.3642  5.914064       4.473989 
1 1 1 14  -25 26 o 16.617  3.1423  41.112    14.308    48.258    21.023    34.945    19.529    17.924  4.4093  15.310  4.4783  2.614748       6.284693 
1 1 1 14  -25 27 o 15.309  3.1352  35.279    14.229    21.993    20.667    47.255    19.621    12.877  4.6603  17.740  4.1951  -4.863380      6.270352 
1 1 1 14  -25 28 o 20.341  3.0408  62.760    16.036    59.758    23.204    65.504    22.187    19.767  4.4853  20.915  4.1070  -1.147688      6.081600 
1 1 1 14  -25 29 o 13.036  3.2722  23.326    14.570    31.374    21.111    16.007    20.133    14.386  4.7322  11.686  4.5207  2.700067       6.544486 
1 1 1 14  -25 30 o 15.950  3.0165  37.621    15.512    7.5018    21.802    68.498    22.074    10.674  4.4894  21.226  4.0301  -10.55189      6.032959 
1 1 1 14  -25 31 o 45.469  2.2537  300.187   27.191    281.949   38.957    317.513   37.970    43.954  3.3338  46.985  3.0334  -3.030392      4.507306 
1 1 1 14  -25 32 o 29.358  2.6545  130.372   20.355    140.007   29.910    122.060   27.780    30.371  3.7568  28.344  3.7513  2.027107       5.309010 
1 1 1 14  -25 33 o 9.6947  2.9653  3.0687    14.566    12.026    19.868    -7.3397   21.417    10.629  4.3615  8.7600  4.0187  1.869369       5.930668 
1 1 1 14  -25 34 o 11.567  3.2482  17.310    15.658    28.185    21.750    5.6105    22.559    13.042  4.7716  10.092  4.4087  2.950141       6.496467 
1 1 1 14  -25 35 o 9.2647  2.8439  -10.8356  15.211    -42.0145  20.987    23.667    22.078    6.3679  3.1652  12.162  4.7259  -5.793628      5.687891 
1 1 1 14  -25 36 o 19.038  3.7688  70.829    20.007    68.072    28.849    73.383    27.770    18.477  5.4539  19.600  5.2029  -1.123177      7.537631 
1 1 1 14  -25 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -25 38 o 8.5976  2.8638  -18.8702  18.030    -47.7202  25.619    9.4450    25.380    6.9011  3.4409  10.294  4.5789  -3.393043      5.727605 
1 1 1 14  -25 39 o 9.2387  3.0428  -2.3014   18.465    3.3113    25.114    -8.9057   27.242    9.5465  4.3693  8.9309  4.2360  0.6156321      6.085560 
1 1 1 14  -25 40 o 11.120  3.5039  21.608    21.095    20.417    29.053    22.937    30.679    10.990  4.8929  11.249  5.0168  -0.2596664     7.007787 
1 1 1 14  -25 41 o 10.777  3.4480  23.052    21.345    18.862    29.771    27.485    30.618    10.431  4.7678  11.122  4.9822  -0.6914730     6.895957 
1 1 1 14  -24 0  o 12.161  2.6996  19.862    10.044    13.538    14.464    25.753    13.959    10.808  3.9007  13.513  3.7331  -2.704588      5.399218 
1 1 1 14  -24 1  o 75.484  2.1447  773.503   43.360    784.715   61.664    762.537   60.983    76.027  3.0281  74.941  3.0381  1.085373       4.289489 
1 1 1 14  -24 2  o 38.595  1.9284  202.603   19.805    206.325   28.074    198.915   27.943    38.954  2.7076  38.236  2.7467  0.7176247      3.856880 
1 1 1 14  -24 3  f 41.424  1.9183  233.473   21.132    220.896   30.092    245.710   29.682    40.297  2.8055  42.552  2.6170  -2.254723      3.836568 
1 1 1 14  -24 4  o 27.321  2.0392  102.243   14.661    110.383   20.858    94.294    20.612    28.429  2.7745  26.212  2.9893  2.217529       4.078453 
1 1 1 14  -24 5  o 105.037 2.4903  1501.82   70.055    1533.12   99.689    1471.28   98.469    106.126 3.5070  103.949 3.5366  2.176727       4.980658 
1 1 1 14  -24 6  o 129.023 2.8780  2278.03   99.455    2280.46   141.388   2275.66   139.923   129.078 4.0895  128.968 4.0506  0.1096802      5.756006 
1 1 1 14  -24 7  o 99.209  2.4291  1338.39   64.547    1354.59   91.735    1322.51   90.838    99.805  3.4316  98.613  3.4391  1.192284       4.858296 
1 1 1 14  -24 8  o 68.648  2.0743  638.374   38.122    614.468   53.821    662.443   54.005    67.345  2.9837  69.951  2.8823  -2.606537      4.148569 
1 1 1 14  -24 9  o 39.796  1.9771  215.293   20.940    212.806   29.499    217.818   29.728    39.562  2.8020  40.030  2.7901  -0.4679260     3.954220 
1 1 1 14  -24 10 f 51.281  1.9905  357.292   27.207    371.904   38.245    342.319   38.713    52.365  2.7362  50.196  2.8916  2.169056       3.981002 
1 1 1 14  -24 11 o 56.101  1.9890  426.810   29.820    437.955   41.970    415.448   42.377    56.890  2.7543  55.312  2.8702  1.577160       3.978001 
1 1 1 14  -24 12 o 44.508  1.9684  269.176   23.346    265.879   32.693    272.607   33.348    44.232  2.7735  44.785  2.7940  -0.5536156     3.936841 
1 1 1 14  -24 13 o 64.322  2.0069  560.619   34.573    556.350   48.491    565.032   49.307    64.077  2.8253  64.568  2.8511  -0.4911575     4.013858 
1 1 1 14  -24 14 o 56.399  1.9676  431.738   29.662    437.106   41.549    426.158   42.359    56.803  2.7308  55.994  2.8335  0.8090973      3.935258 
1 1 1 14  -24 15 o 43.856  1.9150  261.599   22.345    241.852   31.281    282.173   31.930    42.141  2.7870  45.572  2.6269  -3.431759      3.829933 
1 1 1 14  -24 16 o 27.344  2.1443  102.718   15.425    107.853   22.403    98.090    21.271    27.999  3.0358  26.689  3.0291  1.310392       4.288594 
1 1 1 14  -24 17 o 42.107  1.9091  241.587   21.417    243.322   30.312    239.858   30.265    42.260  2.6920  41.953  2.7078  0.3073540      3.818197 
1 1 1 14  -24 18 o 61.210  1.9938  509.632   32.686    517.273   46.439    502.129   46.014    61.667  2.8115  60.752  2.8277  0.9148064      3.987577 
1 1 1 14  -24 19 o 51.936  1.9487  368.321   26.983    343.216   38.388    392.839   37.936    50.107  2.8722  53.764  2.6343  -3.656597      3.897354 
1 1 1 14  -24 20 o 47.059  1.9328  302.452   24.246    314.961   34.707    290.528   33.887    48.020  2.7094  46.098  2.7571  1.922070       3.865586 
1 1 1 14  -24 21 o 39.583  1.9815  214.924   20.782    240.421   29.800    190.781   28.998    41.923  2.6677  37.242  2.9307  4.680256       3.963004 
1 1 1 14  -24 22 o 7.8909  2.4752  -7.1455   10.755    2.5545    15.592    -15.9494  14.855    9.0660  3.8040  6.7159  3.1681  2.350115       4.950480 
1 1 1 14  -24 23 o 27.311  2.2955  104.193   16.447    104.092   23.746    104.287   22.803    27.273  3.3192  27.349  3.1717  -0.7611275E-01 4.590948 
1 1 1 14  -24 24 o 23.637  2.6113  81.717    15.456    58.360    22.217    103.626   21.517    19.980  4.2803  27.293  2.9924  -7.313450      5.222587 
1 1 1 14  -24 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -24 26 o 24.341  6.5127  94.964    43.294    0.0000    0.0000    94.964    43.294    ?       ?       24.341  6.5127  ?              ?        
1 1 1 14  -24 27 o 39.629  2.1458  220.036   22.514    206.343   32.506    232.660   31.212    38.347  3.1939  40.910  2.8665  -2.563477      4.291569 
1 1 1 14  -24 28 o 37.896  2.1913  202.107   22.007    197.289   31.819    206.526   30.470    37.397  3.2077  38.395  2.9863  -0.9986992     4.382601 
1 1 1 14  -24 29 o 27.208  2.5367  106.745   17.947    120.608   26.126    94.359    24.696    28.980  3.4324  25.436  3.7361  3.543892       5.073455 
1 1 1 14  -24 30 o 12.808  3.1789  18.310    15.093    40.191    22.026    -1.0605   20.724    16.052  4.7723  9.5649  4.2008  6.486745       6.357775 
1 1 1 14  -24 31 o 18.891  3.3080  57.768    16.951    43.657    25.052    69.684    23.021    16.445  5.1302  21.337  4.1776  -4.892118      6.616003 
1 1 1 14  -24 32 o 27.708  2.7460  115.959   19.794    116.823   28.728    115.177   27.312    27.729  3.9823  27.686  3.7819  0.4245949E-01  5.491982 
1 1 1 14  -24 33 o 10.453  2.9949  2.2410    14.906    27.431    21.504    -21.0577  20.681    13.290  4.7608  7.6168  3.6347  5.673334       5.989726 
1 1 1 14  -24 34 o 10.827  3.0779  5.3197    15.588    31.148    22.471    -18.6356  21.641    13.733  4.8723  7.9212  3.7624  5.811371       6.155863 
1 1 1 14  -24 35 o 19.373  3.5860  67.345    18.828    68.906    26.621    65.782    26.632    19.648  5.0354  19.099  5.1071  0.5488472      7.172019 
1 1 1 14  -24 36 o 10.882  3.2569  11.677    16.885    -0.0141   23.840    23.446    23.918    9.5816  4.3349  12.183  4.8620  -2.601122      6.513885 
1 1 1 14  -24 37 o 12.399  5.1509  25.400    28.175    25.400    28.175    0.0000    0.0000    12.399  5.1509  ?       ?       ?              ?        
1 1 1 14  -24 38 o 10.124  4.5556  5.8644    25.920    0.0000    0.0000    5.8644    25.920    ?       ?       10.124  4.5556  ?              ?        
1 1 1 14  -24 39 o 11.127  3.3075  14.242    17.883    -5.7216   24.760    36.011    25.856    8.9317  4.1742  13.321  5.1316  -4.389659      6.614913 
1 1 1 14  -24 40 o 8.9650  2.9923  -6.1538   18.773    -5.1673   25.730    -7.2766   27.451    8.9276  4.1987  9.0023  4.2647  -0.7465744E-01 5.984674 
1 1 1 14  -24 41 o 6.2647  2.2344  -54.9530  17.260    -57.9405  23.151    -51.2146  25.897    5.9303  2.9972  6.5990  3.3146  -0.6687560     4.468759 
1 1 1 14  -24 42 o 9.0609  3.0150  -2.5575   19.672    -29.7945  27.810    24.723    27.832    7.4417  3.6894  10.680  4.7695  -3.238484      6.029909 
1 1 1 14  -23 0  o 61.069  2.0045  504.934   32.742    477.802   46.534    531.539   46.078    59.424  2.9236  62.715  2.7431  -3.291004      4.008997 
1 1 1 14  -23 1  o 45.440  1.9237  279.899   23.302    275.593   33.055    284.153   32.855    45.086  2.7504  45.795  2.6903  -0.7092171     3.847373 
1 1 1 14  -23 2  f 60.322  1.9649  491.491   31.744    487.089   45.049    495.834   44.738    60.049  2.8009  60.594  2.7565  -0.5448265     3.929791 
1 1 1 14  -23 3  o 55.216  1.9429  412.276   28.670    400.524   40.710    423.838   40.382    54.391  2.8039  56.042  2.6902  -1.651333      3.885787 
1 1 1 14  -23 4  o 62.051  1.9669  519.765   32.689    517.800   46.420    521.698   46.041    61.932  2.7983  62.171  2.7648  -0.2385559     3.933823 
1 1 1 14  -23 5  o 66.352  2.0068  594.426   35.660    589.365   50.721    599.372   50.146    66.067  2.8662  66.636  2.8095  -0.5691757     4.013591 
1 1 1 14  -23 6  o 51.414  1.9295  357.622   26.473    350.621   37.411    364.645   37.466    50.904  2.7541  51.924  2.7032  -1.020416      3.859093 
1 1 1 14  -23 7  o 72.645  2.0572  712.618   40.028    722.288   56.711    703.019   56.504    73.139  2.8949  72.151  2.9238  0.9881058      4.114498 
1 1 1 14  -23 8  o 52.729  1.9499  376.097   27.440    367.770   38.594    384.610   39.021    52.134  2.7738  53.324  2.7413  -1.189861      3.899844 
1 1 1 14  -23 9  o 42.772  1.9653  248.021   22.378    251.642   31.236    244.203   32.076    43.105  2.7194  42.439  2.8382  0.6660004      3.930654 
1 1 1 14  -23 10 o 59.385  1.9730  476.105   31.378    482.097   44.169    470.001   44.583    59.768  2.7591  59.003  2.8210  0.7648125      3.945963 
1 1 1 14  -23 11 o 64.253  2.0396  558.075   35.077    576.035   49.294    539.652   49.924    65.313  2.8177  63.192  2.9496  2.121159       4.079160 
1 1 1 14  -23 12 o 69.415  2.0522  651.665   38.128    673.423   53.574    629.333   54.276    70.605  2.8329  68.225  2.9701  2.379562       4.104474 
1 1 1 14  -23 13 o 44.087  1.9291  263.400   22.620    241.372   31.597    286.555   32.395    42.173  2.8133  46.001  2.6403  -3.827812      3.858234 
1 1 1 14  -23 14 o 19.819  2.5352  55.432    12.810    72.633    18.460    39.455    17.792    22.961  3.0793  16.677  4.0283  6.284111       5.070426 
1 1 1 14  -23 15 o 77.116  2.1070  805.425   43.519    791.098   61.312    819.971   61.780    76.421  2.9953  77.812  2.9642  -1.391220      4.214095 
1 1 1 14  -23 16 o 33.916  1.9415  156.995   17.435    145.165   24.811    168.535   24.504    32.618  2.8691  35.215  2.6166  -2.597149      3.883097 
1 1 1 14  -23 17 o 36.430  1.9407  180.718   18.797    179.250   26.669    182.167   26.496    36.278  2.7654  36.583  2.7236  -0.3050346     3.881458 
1 1 1 14  -23 18 o 49.989  1.9090  339.925   25.433    326.946   36.367    352.350   35.583    49.029  2.7807  50.948  2.6163  -1.918911      3.818009 
1 1 1 14  -23 19 o 14.322  2.8796  29.213    11.837    21.058    17.456    36.153    16.104    12.727  4.3057  15.918  3.8248  -3.190719      5.759168 
1 1 1 14  -23 20 o 91.632  2.3008  1147.68   56.453    1123.48   80.206    1171.44   79.471    90.646  3.3035  92.617  3.2035  -1.971275      4.601668 
1 1 1 14  -23 21 o 23.147  2.4226  74.903    14.543    76.299    21.253    73.674    19.944    23.330  3.5098  22.964  3.3403  0.3652706      4.845203 
1 1 1 14  -23 22 o 105.089 2.5131  1521.83   70.733    1549.42   100.644   1494.91   99.429    106.039 3.5435  104.139 3.5646  1.899651       5.026209 
1 1 1 14  -23 23 o 22.871  2.3749  73.478    14.094    72.146    20.345    74.708    19.543    22.634  3.4663  23.107  3.2472  -0.4727726     4.749714 
1 1 1 14  -23 24 o 30.313  2.1254  127.746   16.939    116.900   24.318    137.971   23.610    28.986  3.1847  31.639  2.8154  -2.652987      4.250712 
1 1 1 14  -23 25 o 42.108  2.0293  244.464   22.712    240.832   32.919    247.764   31.377    41.770  2.9616  42.446  2.7751  -0.6759987     4.058586 
1 1 1 14  -23 26 o 14.853  3.1494  32.011    13.592    28.109    19.481    35.712    18.972    14.097  4.5397  15.609  4.3665  -1.512525      6.298848 
1 1 1 14  -23 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -23 28 o 18.105  3.1385  49.359    15.168    42.723    22.010    55.361    20.933    16.855  4.6990  19.354  4.1617  -2.498877      6.276934 
1 1 1 14  -23 29 o 15.936  3.0238  36.082    14.804    62.424    21.433    12.052    20.471    20.559  4.0363  11.314  4.5035  9.244674       6.047569 
1 1 1 14  -23 30 o 15.084  3.3196  34.097    14.903    39.699    21.686    29.083    20.515    16.094  4.7225  14.075  4.6666  2.018815       6.639195 
1 1 1 14  -23 31 o 46.871  2.2753  314.173   28.264    288.886   40.511    338.156   39.452    44.859  3.3968  48.882  3.0281  -4.023056      4.550538 
1 1 1 14  -23 32 o 35.252  2.4575  180.849   22.872    193.362   33.028    169.318   31.704    36.474  3.4206  34.031  3.5295  2.443745       4.915096 
1 1 1 14  -23 33 f 18.946  3.3614  58.255    17.381    74.465    25.032    43.164    24.152    21.709  4.4541  16.182  5.0355  5.526968       6.722758 
1 1 1 14  -23 34 o 29.735  2.8287  136.905   21.856    128.620   31.476    144.618   30.371    28.628  4.2324  30.841  3.7539  -2.213196      5.657336 
1 1 1 14  -23 35 o 21.715  3.4827  82.770    20.168    59.486    29.119    104.239   27.960    17.967  5.5188  25.462  4.2496  -7.494541      6.965375 
1 1 1 14  -23 36 o 11.183  3.3804  12.888    17.994    15.152    25.183    10.526    25.721    11.404  4.8123  10.961  4.7488  0.4430981      6.760833 
1 1 1 14  -23 37 o 25.147  3.5274  115.165   22.805    96.307    33.213    131.986   31.367    22.269  5.5797  28.026  4.3172  -5.756529      7.054850 
1 1 1 14  -23 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -23 39 o 9.3271  3.0287  -1.1646   17.299    2.2372    24.131    -4.7606   24.811    9.5640  4.3407  9.0902  4.2248  0.4737692      6.057331 
1 1 1 14  -23 40 o 18.302  4.1269  77.661    23.084    68.437    32.902    86.603    32.394    16.889  5.9039  19.715  5.7680  -2.825907      8.253881 
1 1 1 14  -23 41 o 9.7591  3.1424  -4.0836   19.630    -36.7607  27.387    30.440    28.150    7.4420  3.6845  12.076  5.0914  -4.634171      6.284715 
1 1 1 14  -23 42 o 10.243  3.1350  13.963    13.564    34.858    28.129    7.6317    15.483    12.009  5.0777  8.4770  3.6784  3.532199       6.270082 
1 1 1 14  -22 0  o 133.622 2.9212  2428.13   104.546   2418.16   148.476   2437.94   147.233   133.337 4.1574  133.907 4.1050  -0.5701294     5.842469 
1 1 1 14  -22 1  o 89.512  2.2796  1082.53   54.654    1089.25   77.696    1075.94   76.895    89.786  3.2307  89.239  3.2170  0.5467453      4.559278 
1 1 1 14  -22 2  o 47.468  1.8882  305.021   23.835    277.890   33.681    332.240   33.735    45.325  2.7879  49.612  2.5472  -4.287792      3.776315 
1 1 1 14  -22 3  o 39.931  1.8985  215.889   20.168    207.021   28.678    224.566   28.369    39.105  2.7556  40.758  2.6124  -1.652546      3.797059 
1 1 1 14  -22 4  o 85.620  2.2248  989.323   51.012    978.989   72.556    999.425   71.736    85.171  3.1805  86.069  3.1117  -0.8984451     4.449520 
1 1 1 14  -22 5  o 30.296  2.0133  124.736   16.144    124.638   22.984    124.831   22.681    30.281  2.8680  30.311  2.8262  -0.3006935E-01 4.026531 
1 1 1 14  -22 6  o 39.820  1.9349  215.228   20.405    239.017   28.830    191.349   28.884    42.066  2.5711  37.574  2.8922  4.491734       3.869810 
1 1 1 14  -22 7  o 69.755  2.0459  655.683   38.223    660.952   54.049    650.412   54.063    70.038  2.8812  69.473  2.9053  0.5642395      4.091700 
1 1 1 14  -22 8  o 84.595  2.1994  965.514   49.817    995.857   70.461    935.186   70.443    85.934  3.0612  83.257  3.1589  2.677414       4.398812 
1 1 1 14  -22 9  o 70.017  2.0586  660.687   38.604    657.197   54.246    664.267   54.949    69.831  2.9002  70.202  2.9223  -0.3712463     4.117157 
1 1 1 14  -22 10 o 58.284  1.9792  457.609   30.893    452.758   43.250    462.662   44.143    57.971  2.7854  58.598  2.8125  -0.6272354     3.958379 
1 1 1 14  -22 11 o 13.149  2.8830  23.173    11.364    17.784    16.122    28.496    16.022    12.000  4.1363  14.299  4.0173  -2.298068      5.766020 
1 1 1 14  -22 12 o 73.524  2.0625  729.236   40.606    737.024   56.920    721.166   57.944    73.931  2.8744  73.116  2.9587  0.8144684      4.125091 
1 1 1 14  -22 13 o 25.578  2.1835  89.598    14.656    89.488    20.777    89.707    20.677    25.560  3.0981  25.596  3.0777  -0.3569221E-01 4.367006 
1 1 1 14  -22 14 o 60.908  1.9534  500.350   31.866    500.305   44.799    500.395   45.335    60.908  2.7461  60.908  2.7788  -0.3852844E-03 3.906754 
1 1 1 14  -22 15 o 101.229 2.4014  1388.07   65.106    1365.58   91.884    1410.76   92.264    100.399 3.4168  102.060 3.3751  -1.661407      4.802712 
1 1 1 14  -22 16 o 20.577  2.4470  58.872    13.001    61.618    18.738    56.322    18.054    21.054  3.4418  20.101  3.4793  0.9532795      4.894015 
1 1 1 14  -22 17 o 63.707  1.9678  549.042   33.536    520.851   47.625    576.769   47.232    62.066  2.8648  65.348  2.6984  -3.281746      3.935540 
1 1 1 14  -22 18 o 33.195  1.9353  149.747   17.041    156.731   24.654    143.358   23.582    33.941  2.7351  32.450  2.7387  1.490574       3.870627 
1 1 1 14  -22 19 o 32.291  1.9963  142.245   17.073    142.587   24.751    141.935   23.580    32.314  2.8901  32.268  2.7547  0.4653931E-01  3.992637 
1 1 1 14  -22 20 o 39.983  1.8987  217.273   20.205    223.529   29.151    211.489   28.030    40.535  2.7004  39.431  2.6698  1.104603       3.797342 
1 1 1 14  -22 21 f 33.068  2.0053  149.585   17.569    148.678   25.400    150.417   24.328    32.953  2.9076  33.182  2.7623  -0.2286835     4.010524 
1 1 1 14  -22 22 o 49.407  1.9115  332.491   25.175    333.305   36.430    331.747   34.830    49.447  2.7617  49.367  2.6437  0.7960892E-01  3.823087 
1 1 1 14  -22 23 o 45.282  1.9966  281.350   24.005    262.429   34.592    298.926   33.339    43.754  2.9692  46.810  2.6701  -3.056297      3.993208 
1 1 1 14  -22 24 o 7.7401  2.3833  -6.6088   9.8932    6.0546    14.349    -18.0825  13.659    9.3244  3.7502  6.1558  2.9421  3.168572       4.766541 
1 1 1 14  -22 25 f 43.400  2.0074  258.081   23.172    278.069   33.602    239.957   31.997    45.019  2.8005  41.780  2.8768  3.238873       4.014774 
1 1 1 14  -22 26 o 22.874  2.7061  77.731    15.414    51.489    22.347    101.550   21.290    18.712  4.5113  27.037  2.9900  -8.324385      5.412184 
1 1 1 14  -22 27 o 18.467  2.9461  50.669    14.283    40.690    20.944    59.344    19.528    16.610  4.5660  20.325  3.7243  -3.715586      5.892238 
1 1 1 14  -22 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -22 29 o 18.739  3.1622  53.682    15.928    38.538    23.378    66.803    21.761    16.074  4.9463  21.403  3.9410  -5.329382      6.324327 
1 1 1 14  -22 30 o 18.160  3.2305  50.005    15.696    50.630    22.458    49.407    21.947    18.262  4.5951  18.057  4.5419  0.2045135      6.460901 
1 1 1 14  -22 31 o 27.775  2.7159  113.674   19.410    100.084   28.249    125.828   26.716    25.940  4.2101  29.609  3.4323  -3.668940      5.431874 
1 1 1 14  -22 32 o 11.304  3.2510  11.584    15.451    12.897    21.863    10.274    21.838    11.482  4.6253  11.126  4.5699  0.3559465      6.502049 
1 1 1 14  -22 33 o 16.940  3.5708  46.540    17.488    51.419    24.846    41.749    24.619    17.793  5.0039  16.086  5.0953  1.707043       7.141521 
1 1 1 14  -22 34 o 15.523  3.5068  39.438    16.928    28.740    24.413    49.344    23.492    13.744  5.0513  17.302  4.8656  -3.557262      7.013505 
1 1 1 14  -22 35 o 15.051  3.5925  36.901    17.822    52.591    26.060    23.116    24.427    17.386  5.1960  12.715  4.9626  4.671448       7.185091 
1 1 1 14  -22 36 o 8.7469  2.8361  -6.5539   15.061    -6.2896   21.123    -6.8273   21.481    8.7354  4.0014  8.7584  4.0204  -0.2295589E-01 5.672277 
1 1 1 14  -22 37 o 11.437  3.3909  15.887    17.561    21.453    25.397    10.788    24.308    12.102  4.9445  10.773  4.6418  1.329441       6.781890 
1 1 1 14  -22 38 f 21.953  3.8781  93.621    22.759    90.034    32.796    96.953    31.610    21.256  5.6597  22.651  5.3036  -1.394684      7.756297 
1 1 1 14  -22 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -22 40 o 18.526  3.5391  67.177    17.102    68.127    32.880    66.824    20.024    17.168  5.9075  19.883  3.8991  -2.715260      7.078300 
1 1 1 14  -22 41 o 23.704  3.4697  106.485   19.885    115.618   35.838    102.423   23.902    22.780  5.8447  24.628  3.7410  -1.848280      6.939468 
1 1 1 14  -22 42 o 10.912  3.2882  17.425    14.554    38.745    30.229    10.992    16.605    12.647  5.3010  9.1773  3.8920  3.469671       6.576365 
1 1 1 14  -22 43 o 8.5213  2.5829  0.4414    14.033    -76.5395  29.409    23.135    15.968    6.2806  3.1943  10.762  4.0597  -4.481378      5.165721 
1 1 1 14  -21 0  o 72.302  2.0600  703.901   39.889    718.028   56.931    690.279   55.907    73.015  2.9110  71.589  2.9156  1.425400       4.120046 
1 1 1 14  -21 1  o 92.217  2.3117  1147.19   57.071    1113.41   81.073    1180.37   80.352    90.859  3.3313  93.575  3.2059  -2.716263      4.623353 
1 1 1 14  -21 2  o 25.146  2.0845  86.245    13.769    84.065    19.252    88.528    19.702    24.815  2.9545  25.477  2.9413  -0.6611691     4.168933 
1 1 1 14  -21 3  o 39.500  1.9404  211.058   20.381    220.495   28.730    201.497   28.917    40.404  2.6698  38.597  2.8166  1.806889       3.880861 
1 1 1 14  -21 4  o 105.990 2.5081  1515.97   71.173    1476.03   101.067   1555.26   100.246   104.591 3.6076  107.388 3.4851  -2.797173      5.016102 
1 1 1 14  -21 5  o 41.634  1.8991  234.040   21.064    236.290   29.875    231.816   29.704    41.834  2.6803  41.433  2.6911  0.4010277      3.798184 
1 1 1 14  -21 6  o 35.528  1.9854  171.457   18.574    145.568   26.067    198.158   26.472    32.750  3.0051  38.306  2.5954  -5.556339      3.970732 
1 1 1 14  -21 7  f 46.608  1.9377  293.223   24.076    296.250   33.744    290.085   34.361    46.859  2.6999  46.357  2.7802  0.5019493      3.875428 
1 1 1 14  -21 8  o 158.809 3.2903  3420.30   139.908   3325.05   198.161   3514.98   197.561   156.573 4.7251  161.044 4.5800  -4.470901      6.580503 
1 1 1 14  -21 9  o 57.630  1.9898  446.654   30.707    433.892   42.957    459.991   43.913    56.788  2.8241  58.473  2.8038  -1.684986      3.979595 
1 1 1 14  -21 10 o 58.632  1.9690  462.251   30.911    452.814   42.998    472.345   44.468    58.015  2.7671  59.249  2.8020  -1.234509      3.938027 
1 1 1 14  -21 11 f 38.698  1.9875  202.575   20.448    202.260   28.439    202.912   29.423    38.673  2.7636  38.723  2.8570  -0.4953766E-01 3.974913 
1 1 1 14  -21 12 o 123.082 2.6958  2048.71   88.835    2106.14   125.245   1990.56   126.023   124.839 3.7456  121.326 3.8780  3.512955       5.391518 
1 1 1 14  -21 13 f 42.246  1.9107  241.213   21.483    227.216   30.201    255.549   30.565    40.991  2.7670  43.501  2.6357  -2.509804      3.821399 
1 1 1 14  -21 14 o 136.494 2.9196  2526.04   106.738   2530.97   150.671   2521.07   151.233   136.632 4.1171  136.355 4.1408  0.2769928      5.839212 
1 1 1 14  -21 15 o 20.543  2.5477  59.665    13.324    45.194    18.973    73.743    18.714    17.908  4.0504  23.179  3.0913  -5.271547      5.095301 
1 1 1 14  -21 16 o 18.653  2.6933  48.748    13.009    60.088    18.864    38.465    17.964    20.797  3.5115  16.509  4.0847  4.287476       5.386619 
1 1 1 14  -21 17 f 43.829  1.9003  260.402   22.158    247.531   31.739    272.639   30.948    42.749  2.7872  44.908  2.5838  -2.158501      3.800578 
1 1 1 14  -21 18 o 45.132  1.8927  276.336   22.722    262.837   32.705    288.932   31.592    44.041  2.7869  46.224  2.5617  -2.183289      3.785358 
1 1 1 14  -21 19 o 43.125  1.8864  252.431   21.633    244.662   31.360    259.484   29.882    42.469  2.7721  43.782  2.5593  -1.312920      3.772894 
1 1 1 14  -21 20 f 48.236  1.8929  315.444   24.335    314.281   35.171    316.512   33.707    48.137  2.7391  48.336  2.6132  -0.1983032     3.785741 
1 1 1 14  -21 21 o 13.350  2.8279  24.675    10.869    25.111    16.183    24.317    14.672    13.487  4.1090  13.214  3.8863  0.2729521      5.655737 
1 1 1 14  -21 22 o 42.325  1.9148  243.241   21.565    253.379   31.493    234.290   29.592    43.149  2.7391  41.500  2.6764  1.648502       3.829595 
1 1 1 14  -21 23 o 34.049  1.9970  159.072   17.974    151.617   26.202    165.699   24.703    33.250  2.9734  34.848  2.6668  -1.598240      3.994096 
1 1 1 14  -21 24 o 57.029  1.9940  442.774   30.450    443.607   43.615    441.982   42.531    57.070  2.8533  56.987  2.7863  0.8255768E-01  3.988091 
1 1 1 14  -21 25 f 26.427  2.3328  97.393    16.081    95.813    23.716    98.738    21.879    26.173  3.4685  26.681  3.1205  -0.5082664     4.665624 
1 1 1 14  -21 26 o 15.512  3.0104  34.970    13.023    28.654    18.808    40.786    18.049    14.251  4.4451  16.773  4.0608  -2.522445      6.020715 
1 1 1 14  -21 27 o 11.378  2.9928  14.380    12.343    9.4218    17.777    18.996    17.150    10.591  4.2027  12.165  4.2620  -1.574174      5.985561 
1 1 1 14  -21 28 o 24.558  2.5951  85.718    16.377    102.054   23.744    70.896    22.618    26.939  3.3640  22.177  3.9525  4.761826       5.190235 
1 1 1 14  -21 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -21 30 o 27.686  2.6719  109.976   19.166    125.762   27.686    95.450    26.558    29.727  3.5472  25.645  3.9967  4.082460       5.343801 
1 1 1 14  -21 31 o 13.931  3.3563  27.047    15.419    17.591    21.998    36.179    21.618    12.351  4.7394  15.511  4.7537  -3.160288      6.712648 
1 1 1 14  -21 32 o 17.784  3.4852  49.480    17.194    47.171    24.859    51.598    23.807    17.355  5.0457  18.213  4.8091  -0.8579292     6.970420 
1 1 1 14  -21 33 o 31.235  2.8219  148.889   22.053    113.232   32.517    179.258   30.009    27.098  4.6475  35.373  3.2020  -8.275539      5.643749 
1 1 1 14  -21 34 o 13.881  3.4335  28.358    16.092    38.813    23.348    18.896    22.211    15.541  4.9663  12.222  4.7426  3.318919       6.867048 
1 1 1 14  -21 35 o 27.177  3.0942  116.420   21.671    111.813   31.583    120.519   29.790    26.425  4.6309  27.928  4.1050  -1.502232      6.188370 
1 1 1 14  -21 36 o 14.466  3.6162  35.140    17.745    27.613    25.281    42.450    24.914    13.310  5.0871  15.623  5.1409  -2.313178      7.232415 
1 1 1 14  -21 37 o 27.567  3.3022  128.022   23.510    130.415   33.329    125.652   33.168    27.879  4.6253  27.254  4.7142  0.6248207      6.604326 
1 1 1 14  -21 38 o 12.860  3.5790  27.530    18.406    35.404    25.668    19.196    26.406    13.900  5.1663  11.820  4.9544  2.080482       7.158005 
1 1 1 14  -21 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -21 40 o 8.2363  2.6816  -1.9813   11.922    -6.3237   24.881    -0.6870   13.583    9.0131  4.2029  7.4594  3.3316  1.553659       5.363192 
1 1 1 14  -21 41 o 9.8175  3.0426  9.8266    13.694    6.7130    29.167    10.707    15.509    10.330  4.7207  9.3049  3.8398  1.025280       6.085148 
1 1 1 14  -21 42 o 9.0862  2.9398  3.4970    14.375    6.4181    28.327    2.4838    16.683    9.9419  4.5832  8.2305  3.6828  1.711487       5.879582 
1 1 1 14  -21 43 o 9.5722  3.0161  11.097    13.734    19.614    28.266    8.4652    15.713    10.541  4.7490  8.6034  3.7194  1.937615       6.032182 
1 1 1 14  -20 0  o 126.854 2.7915  2172.03   94.844    2190.76   134.754   2153.64   133.515   127.396 3.9491  126.312 3.9463  1.083199       5.582924 
1 1 1 14  -20 1  o 96.735  2.3673  1260.84   61.295    1214.24   87.045    1306.68   86.329    94.949  3.4226  98.521  3.2714  -3.571854      4.734636 
1 1 1 14  -20 2  o 88.948  2.2244  1066.06   52.896    994.591   75.025    1136.70   74.589    85.965  3.2583  91.932  3.0292  -5.967194      4.448894 
1 1 1 14  -20 3  o 138.880 2.9698  2604.29   110.447   2554.23   156.766   2653.64   155.631   137.540 4.2553  140.221 4.1438  -2.680450      5.939584 
1 1 1 14  -20 4  o 82.492  2.1760  916.323   48.002    859.471   68.068    972.567   67.703    79.932  3.1793  85.052  2.9719  -5.120399      4.352053 
1 1 1 14  -20 5  o 125.702 5.5166  2144.20   185.741   0.0000    0.0000    2144.20   185.741   ?       ?       125.702 5.5166  ?              ?        
1 1 1 14  -20 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 14 o 18.936  2.6852  50.695    13.155    68.389    18.836    33.849    18.380    22.300  3.2491  15.573  4.2760  6.727307       5.370334 
1 1 1 14  -20 15 o 77.133  2.0807  801.183   42.983    789.105   60.830    813.228   60.745    76.549  2.9668  77.717  2.9181  -1.168228      4.161420 
1 1 1 14  -20 16 o 121.412 2.7033  1993.83   87.912    1990.82   124.585   1996.82   124.068   121.317 3.8340  121.507 3.8122  -0.1894760     5.406685 
1 1 1 14  -20 17 o 59.507  1.9303  476.858   30.761    477.987   43.976    475.775   43.044    59.573  2.7560  59.441  2.7036  0.1316948      3.860647 
1 1 1 14  -20 18 o 130.884 2.8692  2325.26   100.581   2350.94   142.901   2300.05   141.595   131.601 4.0540  130.166 4.0613  1.435150       5.738369 
1 1 1 14  -20 19 o 44.637  1.9494  273.933   22.755    220.066   32.853    323.603   31.547    40.247  3.0707  49.026  2.4024  -8.778049      3.898787 
1 1 1 14  -20 20 o 97.415  2.3638  1285.69   61.670    1284.56   87.886    1286.78   86.557    97.363  3.3700  97.466  3.3156  -0.1025620     4.727615 
1 1 1 14  -20 21 o 77.033  2.1173  803.076   43.680    807.639   62.416    798.697   61.148    77.241  3.0169  76.825  2.9716  0.4165802      4.234634 
1 1 1 14  -20 22 o 59.050  1.9447  472.473   30.710    453.042   44.044    490.858   42.843    57.846  2.8427  60.253  2.6547  -2.407650      3.889477 
1 1 1 14  -20 23 o 48.266  1.9511  317.735   25.029    298.115   36.137    335.825   34.699    46.788  2.8978  49.744  2.6134  -2.956200      3.902168 
1 1 1 14  -20 24 o 15.304  2.8632  33.753    12.275    22.772    17.875    43.551    16.885    13.106  4.3565  17.502  3.7166  -4.396069      5.726444 
1 1 1 14  -20 25 o 15.582  2.9311  34.951    12.503    30.733    18.043    38.848    17.342    14.715  4.3046  16.449  3.9794  -1.733521      5.862206 
1 1 1 14  -20 26 o 42.930  2.0432  253.244   23.288    243.320   33.795    262.218   32.136    42.079  3.0185  43.782  2.7544  -1.702717      4.086343 
1 1 1 14  -20 27 o 16.916  3.0636  41.721    13.934    40.616    20.262    42.713    19.194    16.692  4.4506  17.140  4.2112  -0.4478321     6.127110 
1 1 1 14  -20 28 o 8.0599  2.5185  -4.8647   10.920    1.3893    14.857    -12.2138  16.105    8.6884  3.6828  7.4314  3.4364  1.257041       5.037047 
1 1 1 14  -20 29 o 11.339  3.1049  12.841    13.480    10.201    19.317    15.346    18.820    10.974  4.3727  11.704  4.4092  -0.7303944     6.209800 
1 1 1 14  -20 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -20 31 o 25.357  2.7743  94.209    18.011    82.193    26.268    104.872   24.744    23.591  4.3162  27.124  3.4866  -3.533817      5.548525 
1 1 1 14  -20 32 o 26.779  2.8553  104.554   19.752    119.141   29.079    92.058    26.914    28.609  3.8962  24.950  4.1749  3.659222       5.710513 
1 1 1 14  -20 33 o 8.4287  2.7353  -10.9548  14.075    -7.8607   19.949    -14.0211  19.860    8.7170  3.9526  8.1404  3.7822  0.5765820      5.470692 
1 1 1 14  -20 34 o 22.475  3.3884  80.847    19.779    66.789    28.916    93.208    27.115    20.206  5.2831  24.744  4.2441  -4.537945      6.776717 
1 1 1 14  -20 35 o 13.232  3.4381  25.562    16.073    29.450    22.675    21.635    22.786    13.844  4.8962  12.620  4.8281  1.224493       6.876283 
1 1 1 14  -20 36 o 20.587  3.3957  70.793    19.115    100.124   27.648    43.935    26.457    25.201  4.2470  15.972  5.2997  9.228930       6.791441 
1 1 1 14  -20 37 o 20.112  3.1065  61.597    15.543    85.735    27.460    50.219    18.853    22.603  4.6895  17.621  4.0756  4.981647       6.212977 
1 1 1 14  -20 38 o 16.863  3.3301  50.546    15.126    48.098    27.385    51.621    18.145    15.903  5.3928  17.823  3.9085  -1.919668      6.660208 
1 1 1 14  -20 39 o 24.144  4.0751  110.480   25.571    90.205    32.478    143.545   41.475    21.429  5.5973  26.859  5.9243  -5.429296      8.150269 
1 1 1 14  -20 40 o 17.572  4.1182  52.940    19.045    0.0000    0.0000    52.940    19.045    ?       ?       17.572  4.1182  ?              ?        
1 1 1 14  -20 41 o 7.5436  2.4791  -8.4986   12.531    -42.3008  25.048    2.7853    14.472    7.0220  3.4847  8.0652  3.5270  -1.043236      4.958151 
1 1 1 14  -20 42 o 18.680  3.8189  67.158    18.637    101.994   35.339    53.736    21.936    20.849  6.0029  16.510  4.7224  4.338825       7.637808 
1 1 1 14  -20 43 o 8.7229  2.8319  3.3620    13.107    5.6810    27.395    2.6736    14.926    9.5951  4.4527  7.8507  3.5003  1.744410       5.663814 
1 1 1 14  -19 0  o 142.099 3.0087  2723.21   114.459   2836.49   162.678   2612.15   161.074   145.041 4.1874  139.157 4.3215  5.884277       6.017445 
1 1 1 14  -19 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -19 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -19 3  o 68.113  2.4237  625.182   41.969    625.785   51.962    624.049   71.182    68.260  2.8420  67.966  3.9269  0.2938766      4.847412 
1 1 1 14  -19 4  o 154.432 3.1363  3215.88   129.725   3211.70   184.131   3220.00   182.795   154.327 4.4545  154.536 4.4162  -0.2082367     6.272547 
1 1 1 14  -19 5  o 128.017 2.7769  2206.54   95.216    2208.32   135.149   2204.78   134.168   128.066 3.9399  127.968 3.9143  0.9815979E-01  5.553823 
1 1 1 14  -19 6  o 28.204  2.1788  108.877   16.039    122.383   22.458    94.818    22.913    30.056  2.8227  26.352  3.3199  3.704523       4.357638 
1 1 1 14  -19 7  o 115.260 2.5535  1787.55   78.818    1750.89   111.515   1824.14   111.415   114.074 3.6497  116.447 3.5721  -2.373253      5.106907 
1 1 1 14  -19 8  o 39.249  1.9733  207.989   20.455    176.951   28.408    241.405   29.476    36.173  2.9579  42.325  2.6129  -6.151478      3.946691 
1 1 1 14  -19 9  o 157.665 3.2396  3354.96   136.792   3289.57   193.356   3420.49   193.551   156.115 4.6241  159.214 4.5386  -3.098907      6.479292 
1 1 1 14  -19 10 o 55.851  1.9156  418.988   28.642    421.284   39.946    416.558   41.090    56.011  2.6626  55.691  2.7546  0.3203278      3.831153 
1 1 1 14  -19 11 o 166.440 3.3468  3742.68   149.201   3738.83   210.539   3746.56   211.467   166.357 4.7250  166.524 4.7411  -0.1670227     6.693548 
1 1 1 14  -19 12 o 45.054  1.8653  273.634   22.375    254.419   31.426    293.388   31.865    43.436  2.7148  46.672  2.5587  -3.236607      3.730601 
1 1 1 14  -19 13 o 124.210 2.6963  2079.51   89.684    2026.89   126.666   2132.40   127.001   122.625 3.8565  125.795 3.7692  -3.169434      5.392550 
1 1 1 14  -19 14 o 110.109 2.4884  1633.13   73.388    1621.69   103.740   1644.59   103.833   109.721 3.5299  110.497 3.5083  -0.7758102     4.976785 
1 1 1 14  -19 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -19 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -19 17 f 105.543 3.4827  1502.94   98.455    0.0000    0.0000    1502.94   98.455    ?       ?       105.543 3.4827  ?              ?        
1 1 1 14  -19 18 o 79.564  2.1129  853.205   45.008    842.720   64.359    863.241   62.967    79.077  3.0386  80.051  2.9367  -0.9734879     4.225774 
1 1 1 14  -19 19 o 89.333  2.2250  1076.64   53.229    1086.41   76.101    1067.27   74.480    89.725  3.1665  88.940  3.1265  0.7852936      4.449930 
1 1 1 14  -19 20 o 108.787 2.5235  1602.74   73.509    1578.94   104.676   1625.90   103.254   107.973 3.6195  109.601 3.5172  -1.628014      5.046925 
1 1 1 14  -19 21 o 42.570  1.9326  246.880   21.778    227.990   31.795    263.574   29.890    40.988  2.9151  44.152  2.5382  -3.163731      3.865241 
1 1 1 14  -19 22 o 27.583  2.1727  104.808   15.666    96.759    22.850    111.948   21.519    26.522  3.2869  28.644  2.8423  -2.121792      4.345401 
1 1 1 14  -19 23 o 38.093  1.9778  198.189   19.928    187.289   29.204    207.686   27.261    37.068  2.9663  39.119  2.6168  -2.051216      3.955547 
1 1 1 14  -19 24 o 79.693  2.2105  863.799   47.156    842.709   67.281    884.163   66.112    78.712  3.1913  80.675  3.0595  -1.962990      4.420979 
1 1 1 14  -19 25 o 47.201  2.0580  306.050   25.693    271.751   37.010    337.958   35.697    44.556  3.1209  49.845  2.6836  -5.288803      4.116016 
1 1 1 14  -19 26 f 36.881  2.1184  187.335   20.653    177.250   30.070    196.341   28.416    35.882  3.1610  37.880  2.8209  -1.998070      4.236712 
1 1 1 14  -19 27 o 43.194  2.1277  257.381   24.351    238.986   35.184    274.295   33.738    41.637  3.1788  44.752  2.8292  -3.114346      4.255476 
1 1 1 14  -19 28 o 29.727  2.3487  122.537   18.287    139.546   26.856    107.832   24.971    31.701  3.2071  27.754  3.4323  3.946692       4.697416 
1 1 1 14  -19 29 o 26.280  2.5375  97.117    17.352    104.235   25.641    91.103    23.570    27.169  3.6131  25.391  3.5639  1.778391       5.074984 
1 1 1 14  -19 30 o 7.2386  2.4577  -29.3942  12.713    -39.7600  15.758    -10.0645  21.518    5.4256  2.7041  9.0517  4.1047  -3.626153      4.915326 
1 1 1 14  -19 31 o 29.927  6.6220  143.449   51.677    0.0000    0.0000    143.449   51.677    ?       ?       29.927  6.6220  ?              ?        
1 1 1 14  -19 32 o 31.663  2.6480  143.989   21.501    180.860   31.271    110.929   29.610    35.785  3.2996  27.540  4.1424  8.245432       5.295916 
1 1 1 14  -19 33 o 23.465  3.0212  82.319    18.261    82.739    26.611    81.945    25.105    23.453  4.3978  23.477  4.1437  -0.2461243E-01 6.042407 
1 1 1 14  -19 34 o 13.868  3.4201  27.570    16.149    16.764    23.428    37.354    22.292    12.230  4.8337  15.505  4.8397  -3.275037      6.840158 
1 1 1 14  -19 35 o 13.215  2.9829  27.849    12.775    8.5533    23.465    35.978    15.230    11.047  4.6525  15.382  3.7342  -4.334901      5.965716 
1 1 1 14  -19 36 o 11.133  2.9022  6.5421    11.428    37.062    21.889    -4.8934   13.399    15.075  4.8077  7.1916  3.2521  7.882936       5.804338 
1 1 1 14  -19 37 o 18.497  3.2656  50.390    15.098    78.763    28.259    39.055    17.861    21.484  5.0040  15.510  4.1971  5.973007       6.531153 
1 1 1 14  -19 38 o 14.053  3.3954  27.354    14.512    55.440    27.341    16.337    17.124    17.267  5.3550  10.840  4.1760  6.427409       6.790773 
1 1 1 14  -19 39 o 14.525  3.0952  39.660    14.380    17.306    25.948    49.569    17.275    11.584  4.8863  17.466  3.8007  -5.881696      6.190446 
1 1 1 14  -19 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -19 41 o 10.109  2.8800  10.989    14.146    -24.9403  26.408    25.447    16.752    8.1024  3.9269  12.115  4.2140  -4.012362      5.760041 
1 1 1 14  -19 42 o 27.110  3.4587  140.277   22.263    131.091   38.797    144.788   27.185    24.362  5.9880  29.859  3.4634  -5.497107      6.917457 
1 1 1 14  -19 43 o 16.621  3.8166  58.823    18.182    82.963    33.445    48.696    21.663    17.952  5.9587  15.290  4.7707  2.662085       7.633207 
1 1 1 14  -19 44 o 13.692  3.7062  46.270    17.751    63.833    33.469    39.395    20.939    14.287  5.7340  13.096  4.6972  1.191100       7.412360 
1 1 1 14  -18 0  o 78.961  2.1005  837.065   44.415    861.467   63.317    813.427   62.318    80.095  2.9514  77.827  2.9895  2.267998       4.200940 
1 1 1 14  -18 1  o 82.929  2.1497  923.983   47.730    900.632   67.849    946.861   67.157    81.887  3.0934  83.971  2.9859  -2.083611      4.299391 
1 1 1 14  -18 2  o 103.005 2.4006  1427.75   66.120    1337.00   93.765    1517.51   93.252    99.733  3.5100  106.277 3.2759  -6.544525      4.801223 
1 1 1 14  -18 3  o 124.194 2.7092  2075.10   90.104    2036.89   127.900   2112.75   126.957   123.052 3.8805  125.337 3.7817  -2.284431      5.418482 
1 1 1 14  -18 4  o 96.984  2.2860  1263.58   59.381    1261.87   84.372    1265.27   83.587    96.917  3.2502  97.051  3.2155  -0.1336670     4.572004 
1 1 1 14  -18 5  o 85.505  2.1616  981.857   49.499    1000.76   70.128    963.087   69.879    86.327  3.0329  84.682  3.0808  1.644142       4.323153 
1 1 1 14  -18 6  o 125.576 2.7273  2121.35   91.729    2105.36   129.946   2137.24   129.504   125.101 3.8781  126.050 3.8357  -0.9496384     5.454568 
1 1 1 14  -18 7  o 96.457  2.3440  1250.60   60.509    1188.23   85.328    1313.69   85.820    94.030  3.3879  98.884  3.2402  -4.854248      4.687987 
1 1 1 14  -18 8  o 173.680 3.4540  4069.86   160.658   4150.50   227.341   3989.41   227.069   175.411 4.8387  171.950 4.9302  3.461197       6.908007 
1 1 1 14  -18 9  o 70.176  2.0116  660.933   37.786    628.372   52.879    694.908   54.015    68.408  2.8859  71.944  2.8030  -3.536003      4.023140 
1 1 1 14  -18 10 o 44.618  1.8522  267.879   22.027    258.226   30.650    278.193   31.679    43.783  2.6257  45.452  2.6131  -1.668079      3.704397 
1 1 1 14  -18 11 o 102.968 2.3565  1425.27   64.989    1428.45   91.554    1422.04   92.266    103.086 3.3158  102.851 3.3493  0.2357254      4.712958 
1 1 1 14  -18 12 o 83.706  2.1144  941.414   47.385    904.998   66.776    978.350   67.251    82.071  3.0377  85.341  2.9421  -3.269783      4.228841 
1 1 1 14  -18 13 o 64.181  1.9085  553.152   32.808    550.826   46.512    555.455   46.283    64.046  2.7114  64.316  2.6867  -0.2701416     3.817025 
1 1 1 14  -18 14 o 53.767  1.8448  388.177   26.564    389.462   37.890    386.934   37.253    53.854  2.6268  53.681  2.5909  0.1730499      3.689550 
1 1 1 14  -18 15 o 141.088 2.9640  2685.72   112.006   2667.73   158.840   2703.51   157.963   140.611 4.2175  141.564 4.1659  -0.9526215     5.928078 
1 1 1 14  -18 16 o 118.820 2.6055  1902.30   82.899    1966.32   117.943   1839.80   116.544   120.803 3.6451  116.837 3.7241  3.966446       5.211083 
1 1 1 14  -18 17 o 77.511  2.4166  806.515   48.568    798.066   61.273    820.795   79.661    77.023  2.9700  77.999  3.8130  -0.9765396     4.833230 
1 1 1 14  -18 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -18 19 o 75.400  2.6898  783.611   49.813    733.593   88.570    806.751   60.244    73.396  4.5274  77.405  2.9057  -4.008583      5.379665 
1 1 1 14  -18 20 o 80.261  2.1556  868.649   46.322    864.560   66.359    872.536   64.690    80.069  3.0942  80.454  3.0019  -0.3847504     4.311100 
1 1 1 14  -18 21 o 37.595  2.0477  192.503   20.353    181.819   29.775    201.873   27.885    36.578  3.0675  38.613  2.7134  -2.035854      4.095355 
1 1 1 14  -18 22 o 23.937  2.4468  80.764    14.884    65.681    21.827    93.875    20.350    21.670  3.9041  26.205  2.9506  -4.534901      4.893674 
1 1 1 14  -18 23 o 68.457  2.0602  633.568   37.759    634.347   54.254    632.838   52.583    68.488  2.9575  68.426  2.8690  0.6194305E-01  4.120439 
1 1 1 14  -18 24 o 50.501  1.9949  346.567   26.835    337.416   38.715    355.029   37.228    49.834  2.9132  51.167  2.7262  -1.333061      3.989834 
1 1 1 14  -18 25 o 71.375  2.1786  693.501   41.577    656.746   59.378    728.856   58.236    69.479  3.1906  73.272  2.9673  -3.792297      4.357200 
1 1 1 14  -18 26 o 37.989  2.0939  198.039   21.070    187.319   30.411    207.935   29.219    36.953  3.1012  39.025  2.8142  -2.072498      4.187745 
1 1 1 14  -18 27 o 16.984  2.9859  40.846    13.757    54.847    20.364    29.091    18.659    19.573  4.0188  14.395  4.4172  5.178073       5.971800 
1 1 1 14  -18 28 o 9.5614  2.7713  4.8053    11.428    0.3321    16.970    8.5170    15.459    9.1256  3.9041  9.9971  3.9342  -0.8714762     5.542572 
1 1 1 14  -18 29 o 31.167  2.3686  135.495   19.425    135.195   28.297    135.762   26.715    31.095  3.4560  31.239  3.2398  -0.1444511     4.737125 
1 1 1 14  -18 30 o 48.588  2.2059  327.141   28.521    311.957   40.552    342.006   40.122    47.420  3.2116  49.756  3.0249  -2.336456      4.411876 
1 1 1 14  -18 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -18 32 o 60.323  2.3189  509.645   37.286    537.460   52.914    482.213   52.548    62.028  3.1957  58.618  3.3609  3.410469       4.637710 
1 1 1 14  -18 33 o 69.977  2.3940  690.681   44.860    707.937   63.496    673.483   63.388    70.893  3.3439  69.061  3.4268  1.831879       4.787976 
1 1 1 14  -18 34 o 20.396  2.9310  61.117    14.613    66.897    25.906    58.419    17.696    20.764  4.7598  20.027  3.4218  0.7367687      5.862084 
1 1 1 14  -18 35 f 10.394  2.8891  2.4253    11.199    28.579    22.075    -6.6398   12.996    13.854  4.8363  6.9341  3.1619  6.919818       5.778191 
1 1 1 14  -18 36 o 11.525  3.1153  12.899    12.278    29.923    23.732    6.6768    14.347    13.956  5.0012  9.0936  3.7159  4.862787       6.230572 
1 1 1 14  -18 37 o 10.374  2.8393  12.481    12.125    -7.0205   21.979    21.012    14.537    8.9729  4.0995  11.776  3.9295  -2.802922      5.678576 
1 1 1 14  -18 38 o 26.831  2.8302  111.162   18.811    123.785   32.186    104.614   23.182    27.394  4.5459  26.268  3.3727  1.126076       5.660439 
1 1 1 14  -18 39 o 17.160  3.0464  57.550    15.682    21.780    27.516    74.757    19.085    12.289  5.0965  22.031  3.3388  -9.741538      6.092768 
1 1 1 14  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -18 41 o 25.255  3.4693  127.446   20.875    86.287    36.460    147.517   25.460    19.529  6.2024  30.980  3.1102  -11.45142      6.938550 
1 1 1 14  -18 42 o 8.9322  2.8741  1.7139    13.911    -4.9072   27.432    4.0060    16.140    9.3607  4.3808  8.5038  3.7217  0.8568544      5.748227 
1 1 1 14  -18 43 o 43.782  2.8583  331.705   31.492    352.646   52.977    320.261   39.162    43.163  4.6560  44.400  3.3169  -1.236984      5.716682 
1 1 1 14  -18 44 o 19.438  3.4132  63.716    18.666    159.585   35.685    27.603    21.902    27.494  5.0312  11.383  4.6138  16.11107       6.826430 
1 1 1 14  -17 0  o 136.358 2.9207  2502.27   106.640   2443.90   151.365   2559.80   150.265   134.770 4.1932  137.947 4.0668  -3.177887      5.841392 
1 1 1 14  -17 1  o 77.777  2.0787  812.564   43.273    781.391   61.467    843.196   60.930    76.293  3.0079  79.261  2.8700  -2.968338      4.157467 
1 1 1 14  -17 2  o 131.115 2.7916  2312.93   97.984    2235.46   139.031   2389.39   138.114   128.921 4.0262  133.308 3.8681  -4.386841      5.583213 
1 1 1 14  -17 3  o 132.271 2.8590  2353.46   101.281   2331.85   143.752   2374.75   142.718   131.664 4.0762  132.879 4.0099  -1.214920      5.717945 
1 1 1 14  -17 4  o 51.927  1.8555  362.700   25.724    363.191   36.329    362.207   36.429    51.963  2.6186  51.891  2.6296  0.7164383E-01  3.711039 
1 1 1 14  -17 5  o 74.318  2.0278  741.359   40.363    730.758   57.061    751.974   57.103    73.785  2.8872  74.851  2.8482  -1.065704      4.055636 
1 1 1 14  -17 6  o 120.152 2.6510  1941.04   85.301    1901.82   120.706   1980.16   120.561   118.935 3.7891  121.369 3.7086  -2.434776      5.301964 
1 1 1 14  -17 7  o 133.328 2.8469  2391.34   101.666   2387.94   143.751   2394.75   143.805   133.232 4.0282  133.423 4.0240  -0.1905060     5.693748 
1 1 1 14  -17 8  f 123.696 2.6716  2057.36   88.513    2059.75   124.962   2054.95   125.392   123.769 3.7694  123.622 3.7869  0.1468277      5.343141 
1 1 1 14  -17 9  o 76.740  2.0299  790.883   41.707    807.803   58.570    773.478   59.404    77.576  2.8187  75.904  2.9219  1.672523       4.059894 
1 1 1 14  -17 10 o 66.823  1.9235  599.123   34.412    574.063   48.227    625.120   49.119    65.398  2.7532  68.248  2.6870  -2.849899      3.847059 
1 1 1 14  -17 11 o 74.118  1.9977  737.705   39.638    765.846   56.105    709.660   56.009    75.533  2.7732  72.703  2.8762  2.829903       3.995367 
1 1 1 14  -17 12 o 51.566  1.8201  357.872   25.040    333.928   35.516    381.538   35.310    49.807  2.6720  53.324  2.4722  -3.517002      3.640193 
1 1 1 14  -17 13 o 88.531  2.1645  1052.79   51.319    1076.94   72.934    1029.11   72.224    89.539  3.0411  87.524  3.0808  2.014771       4.328949 
1 1 1 14  -17 14 o 125.605 2.6850  2123.39   90.329    2119.85   128.236   2126.87   127.259   125.498 3.8149  125.712 3.7794  -0.2136383     5.370047 
1 1 1 14  -17 15 o 88.555  2.1968  1053.83   52.101    1061.13   74.392    1046.80   72.991    88.854  3.1258  88.256  3.0877  0.5982285      4.393690 
1 1 1 14  -17 16 o 26.576  2.1018  96.123    14.666    95.663    21.491    96.523    20.063    26.500  3.0856  26.653  2.8548  -0.1529961     4.203694 
1 1 1 14  -17 17 o 163.022 3.3072  3592.73   144.407   3600.83   204.981   3584.75   203.471   163.201 4.6892  162.844 4.6649  0.3569946      6.614397 
1 1 1 14  -17 18 f 18.474  2.7052  48.179    12.876    43.319    19.250    52.114    17.322    17.564  4.1566  19.383  3.4636  -1.819324      5.410486 
1 1 1 14  -17 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -17 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -17 21 o 28.904  2.2912  115.220   17.225    102.359   25.198    126.502   23.601    27.305  3.5279  30.504  2.9245  -3.198999      4.582414 
1 1 1 14  -17 22 o 24.723  2.5128  84.187    16.130    86.778    23.698    81.951    22.017    25.067  3.6357  24.379  3.4696  0.6874943      5.025623 
1 1 1 14  -17 23 o 37.012  2.0983  186.074   20.607    188.473   29.884    183.900   28.453    37.230  3.0229  36.793  2.9109  0.4369202      4.196581 
1 1 1 14  -17 24 o 7.6121  2.4372  -8.4243   10.696    -10.1214  15.214    -6.7655   15.041    7.4522  3.4070  7.7720  3.4860  -0.3198256     4.874407 
1 1 1 14  -17 25 o 38.890  2.0567  205.485   21.242    217.700   30.943    194.598   29.213    39.986  2.9091  37.794  2.9082  2.192341       4.113398 
1 1 1 14  -17 26 o 32.777  2.1757  147.233   18.855    148.760   27.385    145.856   25.998    32.923  3.1437  32.630  3.0085  0.2924347      4.351330 
1 1 1 14  -17 27 o 11.240  2.8229  11.761    11.807    26.618    16.853    -2.5620   16.548    13.804  4.1905  8.6757  3.7834  5.127963       5.645728 
1 1 1 14  -17 28 o 23.923  2.5461  80.446    15.804    80.620    22.627    80.280    22.083    23.936  3.6444  23.911  3.5564  0.2488899E-01  5.092122 
1 1 1 14  -17 29 o 56.598  2.1613  440.343   32.629    457.239   46.461    423.899   45.835    57.691  3.0172  55.505  3.0953  2.185452       4.322574 
1 1 1 14  -17 30 o 50.146  2.2194  347.527   29.654    356.237   42.031    338.894   41.844    50.791  3.1045  49.501  3.1726  1.289070       4.438842 
1 1 1 14  -17 31 o 89.005  3.0275  1137.68   68.585    1171.50   85.981    1078.52   113.720   91.726  3.4996  86.284  4.9411  5.442055       6.054935 
1 1 1 14  -17 32 o 55.294  2.7095  420.611   40.129    0.0000    0.0000    420.611   40.129    ?       ?       55.294  2.7095  ?              ?        
1 1 1 14  -17 33 o 16.593  2.9893  42.946    13.047    32.981    22.904    47.733    15.874    15.005  4.9288  18.182  3.3841  -3.177215      5.978687 
1 1 1 14  -17 34 o 18.631  3.0024  54.892    14.102    43.617    24.564    60.434    17.222    16.770  5.0520  20.492  3.2459  -3.722172      6.004883 
1 1 1 14  -17 35 o 18.502  3.0706  50.339    14.230    60.603    25.100    45.478    17.274    19.606  4.8148  17.398  3.8121  2.207664       6.141187 
1 1 1 14  -17 36 o 13.897  3.2252  29.343    13.371    30.529    23.263    28.758    16.339    14.118  4.9628  13.675  4.1205  0.4431391      6.450372 
1 1 1 14  -17 37 o 16.196  3.2856  41.684    14.316    47.217    25.271    39.069    17.373    16.680  5.1443  15.713  4.0886  0.9668436      6.571188 
1 1 1 14  -17 38 o 20.003  3.2086  74.411    17.108    41.184    29.027    92.098    21.178    15.226  5.5212  24.780  3.2706  -9.553712      6.417207 
1 1 1 14  -17 39 o 13.388  3.3455  25.320    13.986    47.433    26.222    16.529    16.534    15.984  5.2748  10.791  4.1164  5.193344       6.690932 
1 1 1 14  -17 40 o 31.766  8.2697  262.473   71.049    262.473   71.049    0.0000    0.0000    31.766  8.2697  ?       ?       ?              ?        
1 1 1 14  -17 41 o 5.5755  1.9908  -28.5251  9.7702    -35.6368  21.323    -26.6353  10.992    6.6766  3.2955  4.4744  2.2346  2.202122       3.981663 
1 1 1 14  -17 42 o 16.656  3.6861  53.916    17.272    64.324    31.937    49.613    20.534    16.883  5.8215  16.429  4.5232  0.4546032      7.372169 
1 1 1 14  -17 43 o 20.211  3.8381  86.676    20.359    93.508    37.507    83.822    24.240    18.987  6.3106  21.435  4.3703  -2.447826      7.676138 
1 1 1 14  -17 44 o 20.914  3.4930  108.219   20.678    69.797    38.048    124.324   24.633    14.824  6.0536  27.005  3.4870  -12.18167      6.986058 
1 1 1 14  -16 0  o 85.680  2.2178  986.354   50.850    942.765   72.210    1029.23   71.618    83.795  3.2173  87.565  3.0536  -3.769447      4.435657 
1 1 1 14  -16 1  f 197.993 3.9130  5296.65   207.130   4936.88   293.303   5654.56   292.550   191.224 5.7264  204.761 5.3341  -13.53685      7.825920 
1 1 1 14  -16 2  o 158.089 3.2187  3364.89   136.267   3307.25   193.310   3421.82   192.117   156.733 4.6047  159.444 4.4985  -2.710846      6.437389 
1 1 1 14  -16 3  o 177.682 3.5697  4255.76   169.862   4183.11   240.806   4327.71   239.641   176.160 5.1035  179.204 4.9926  -3.043839      7.139468 
1 1 1 14  -16 4  o 92.547  2.2354  1150.24   55.396    1120.97   78.490    1179.29   78.196    91.370  3.2072  93.723  3.1149  -2.353676      4.470866 
1 1 1 14  -16 5  o 183.550 3.6565  4544.62   179.672   4383.81   254.383   4704.69   253.807   180.285 5.2679  186.815 5.0723  -6.529602      7.312931 
1 1 1 14  -16 6  f 174.845 3.5103  4121.08   164.354   4019.84   232.575   4222.06   232.288   172.686 5.0283  177.005 4.8995  -4.319336      7.020582 
1 1 1 14  -16 7  o 74.129  2.0237  737.348   40.174    717.650   56.400    757.636   57.238    73.123  2.8796  75.134  2.8442  -2.011520      4.047402 
1 1 1 14  -16 8  o 70.321  1.9705  663.411   37.109    651.653   51.899    675.712   53.081    69.683  2.7806  70.958  2.7929  -1.274055      3.941069 
1 1 1 14  -16 9  o 127.821 2.7334  2197.12   93.576    2212.90   131.905   2181.14   132.771   128.286 3.8388  127.356 3.8922  0.9308395      5.466764 
1 1 1 14  -16 10 o 65.674  1.8904  578.728   33.250    567.036   46.824    590.619   47.223    65.004  2.6893  66.343  2.6575  -1.339523      3.780810 
1 1 1 14  -16 11 o 92.912  2.2104  1159.40   55.004    1140.13   77.784    1178.68   77.791    92.137  3.1518  93.686  3.1000  -1.548889      4.420869 
1 1 1 14  -16 12 o 46.771  1.7878  294.256   22.299    308.977   31.857    280.115   31.223    47.925  2.4904  45.618  2.5657  2.306316       3.575583 
1 1 1 14  -16 13 o 66.325  1.9118  590.080   33.944    619.052   48.605    562.497   47.424    67.915  2.6719  64.735  2.7351  3.179893       3.823602 
1 1 1 14  -16 14 o 75.474  2.0099  764.555   40.622    775.666   58.220    754.013   56.707    76.007  2.8598  74.940  2.8251  1.066055       4.019896 
1 1 1 14  -16 15 o 167.090 3.3780  3767.03   151.175   3814.11   214.681   3720.73   212.919   168.128 4.7672  166.052 4.7872  2.075912       6.755977 
1 1 1 14  -16 16 o 20.083  2.4707  55.578    12.782    61.645    18.682    50.238    17.527    21.146  3.4148  19.019  3.5717  2.127249       4.941456 
1 1 1 14  -16 17 o 103.471 2.3938  1439.95   66.336    1448.22   94.566    1431.94   93.079    103.761 3.4026  103.180 3.3680  0.5803986      4.787572 
1 1 1 14  -16 18 o 85.442  2.1693  981.246   49.638    1000.31   70.953    962.971   69.469    86.255  3.0711  84.630  3.0646  1.624451       4.338624 
1 1 1 14  -16 19 o 73.802  2.0338  731.810   40.191    752.806   57.713    712.039   56.003    74.829  2.8795  72.775  2.8730  2.053680       4.067608 
1 1 1 14  -16 20 o 15.291  4.4144  32.320    19.087    32.320    19.087    0.0000    0.0000    15.291  4.4144  ?       ?       ?              ?        
1 1 1 14  -16 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -16 22 o 74.523  2.1869  749.216   43.630    736.804   62.370    761.109   61.055    73.908  3.1506  75.137  3.0337  -1.228630      4.373790 
1 1 1 14  -16 23 o 80.075  2.2486  865.951   48.220    874.270   68.912    857.971   67.496    80.448  3.1981  79.703  3.1617  0.7456360      4.497123 
1 1 1 14  -16 24 o 87.889  2.3245  1046.02   54.635    1122.45   77.824    971.741   76.719    91.084  3.1900  84.695  3.3819  6.388580       4.648976 
1 1 1 14  -16 25 o 91.292  2.3972  1131.62   58.610    1153.49   83.066    1109.93   82.709    92.180  3.3643  90.404  3.4157  1.775993       4.794321 
1 1 1 14  -16 26 o 40.916  2.0732  228.077   22.563    229.568   32.365    226.668   31.473    41.039  2.9643  40.793  2.8993  0.2459908      4.146475 
1 1 1 14  -16 27 o 11.366  2.8388  13.655    11.602    1.7315    16.557    25.159    16.262    9.2596  3.9043  13.471  4.1221  -4.211873      5.677601 
1 1 1 14  -16 28 o 35.999  2.2016  178.295   20.990    189.449   29.834    167.362   29.537    37.148  3.0246  34.849  3.2000  2.298779       4.403227 
1 1 1 14  -16 29 o 45.130  2.1674  280.046   26.042    284.660   36.930    275.482   36.729    45.508  3.0474  44.752  3.0829  0.7561760      4.334846 
1 1 1 14  -16 30 f 33.624  2.0912  156.924   18.186    151.974   28.730    160.234   23.492    33.058  3.2883  34.190  2.5844  -1.132374      4.182322 
1 1 1 14  -16 31 o 81.363  2.3062  919.403   49.861    877.179   74.261    954.062   67.282    79.470  3.4887  83.256  3.0171  -3.785759      4.612377 
1 1 1 14  -16 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -16 33 o 39.954  2.2569  230.554   22.908    193.944   36.066    255.311   29.658    36.895  3.6994  43.013  2.5863  -6.118698      4.513839 
1 1 1 14  -16 34 o 44.242  2.1526  273.273   24.880    282.820   39.354    266.915   32.112    44.700  3.3105  43.784  2.7522  0.9158249      4.305114 
1 1 1 14  -16 35 o 22.048  2.8576  72.741    15.458    72.387    26.388    72.925    19.074    21.619  4.6918  22.478  3.2634  -0.8590946     5.715151 
1 1 1 14  -16 36 o 11.311  3.0303  15.493    13.383    -1.8829   23.380    23.961    16.321    9.9311  4.4071  12.690  4.1602  -2.759082      6.060527 
1 1 1 14  -16 37 o 15.105  3.2688  33.939    13.768    47.647    24.346    27.495    16.693    16.909  5.0152  13.301  4.1939  3.607417       6.537626 
1 1 1 14  -16 38 o 24.001  2.9949  93.305    17.467    85.617    29.547    97.435    21.657    22.420  5.0425  25.583  3.2327  -3.162785      5.989732 
1 1 1 14  -16 39 o 11.575  3.0199  7.0818    12.726    45.653    24.144    -7.7575   14.975    15.960  5.0449  7.1894  3.3207  8.770395       6.039708 
1 1 1 14  -16 40 o 20.266  5.4993  78.696    30.612    78.696    30.612    0.0000    0.0000    20.266  5.4993  ?       ?       ?              ?        
1 1 1 14  -16 41 o 10.768  3.0567  15.844    14.261    -5.1547   26.957    24.004    16.805    9.5466  4.4255  11.989  4.2177  -2.442162      6.113450 
1 1 1 14  -16 42 o 13.116  3.6113  29.495    16.953    45.414    31.221    22.839    20.189    14.560  5.6305  11.672  4.5238  2.888233       7.222675 
1 1 1 14  -16 43 f 16.110  3.7424  50.119    16.995    74.016    33.232    41.655    19.778    17.506  5.9407  14.715  4.5530  2.791852       7.484797 
1 1 1 14  -16 44 f 10.418  2.9850  16.000    15.917    -27.1247  29.692    33.389    18.854    8.0525  3.9580  12.783  4.4692  -4.730693      5.969917 
1 1 1 14  -15 0  o 93.087  2.2341  1163.04   55.698    1183.89   79.270    1142.71   78.278    93.911  3.1514  92.263  3.1675  1.648582       4.468163 
1 1 1 14  -15 1  o 131.029 2.7787  2311.15   97.332    2154.39   138.034   2466.16   137.266   126.586 4.0711  135.472 3.7829  -8.886047      5.557351 
1 1 1 14  -15 2  o 137.971 2.8988  2559.57   107.122   2552.26   152.045   2566.78   150.948   137.773 4.1202  138.169 4.0787  -0.3968811     5.797627 
1 1 1 14  -15 3  o 39.574  1.7069  210.906   17.989    199.887   25.391    222.012   25.490    38.526  2.4736  40.621  2.3528  -2.094578      3.413877 
1 1 1 14  -15 4  o 104.359 2.3778  1462.73   66.455    1437.77   94.220    1487.44   93.745    103.470 3.3997  105.248 3.3254  -1.778572      4.755661 
1 1 1 14  -15 5  o 103.487 2.3399  1438.11   64.858    1429.59   91.811    1446.61   91.636    103.180 3.3221  103.795 3.2961  -0.6146317     4.679811 
1 1 1 14  -15 6  o 182.387 3.6537  4484.35   178.485   4446.79   252.506   4521.86   252.324   181.618 5.1907  183.156 5.1434  -1.537720      7.307366 
1 1 1 14  -15 7  o 94.557  2.2517  1200.38   57.015    1165.06   80.241    1236.40   81.028    93.150  3.2161  95.965  3.1524  -2.814369      4.503382 
1 1 1 14  -15 8  o 37.093  1.7712  185.096   17.457    169.211   24.197    202.338   25.209    35.423  2.5677  38.764  2.4404  -3.340477      3.542384 
1 1 1 14  -15 9  o 62.248  1.8379  519.995   30.635    530.837   43.152    508.978   43.497    62.904  2.5612  61.592  2.6366  1.311916       3.675760 
1 1 1 14  -15 10 o 14.991  2.4413  31.376    9.6036    33.333    13.729    29.501    13.438    15.452  3.4088  14.529  3.4957  0.9230461      4.882553 
1 1 1 14  -15 11 o 69.349  1.9145  645.570   35.550    632.687   50.559    658.169   49.996    68.662  2.7491  70.036  2.6652  -1.373421      3.828920 
1 1 1 14  -15 12 o 95.522  2.2639  1225.32   57.920    1241.08   82.481    1209.99   81.352    96.128  3.2035  94.916  3.1999  1.211258       4.527858 
1 1 1 14  -15 13 o 208.168 4.0476  5858.05   225.682   5846.99   319.935   5869.00   318.395   207.966 5.7435  208.370 5.7048  -0.4041290     8.095268 
1 1 1 14  -15 14 o 126.298 2.6877  2144.96   90.910    2188.61   129.486   2102.53   127.664   127.566 3.7897  125.029 3.8121  2.536926       5.375304 
1 1 1 14  -15 15 o 26.808  2.1333  99.740    14.685    83.441    21.839    113.190   19.840    24.689  3.3922  28.927  2.5879  -4.238575      4.266644 
1 1 1 14  -15 16 o 103.602 2.3792  1442.30   66.009    1479.35   94.206    1406.56   92.520    104.910 3.3525  102.294 3.3767  2.616241       4.758323 
1 1 1 14  -15 17 o 154.912 3.2050  3237.54   132.949   3166.22   188.599   3307.99   187.443   153.200 4.5961  156.624 4.4681  -3.423370      6.409994 
1 1 1 14  -15 18 o 15.254  2.9640  32.411    12.591    26.882    18.131    37.560    17.498    14.134  4.3571  16.374  4.0194  -2.240706      5.927945 
1 1 1 14  -15 19 o 185.504 3.7492  4663.57   186.238   4550.60   263.791   4775.84   262.972   183.234 5.3748  187.774 5.2286  -4.539902      7.498459 
1 1 1 14  -15 20 o 156.939 3.2823  3332.30   137.969   3303.90   195.529   3360.47   194.709   156.263 4.6716  157.616 4.6121  -1.352402      6.564696 
1 1 1 14  -15 21 o 136.936 5.9849  2560.72   219.513   2560.72   219.513   0.0000    0.0000    136.936 5.9849  ?       ?       ?              ?        
1 1 1 14  -15 22 o 164.955 7.1595  3764.49   316.327   0.0000    0.0000    3764.49   316.327   ?       ?       164.955 7.1595  ?              ?        
1 1 1 14  -15 23 o 93.778  2.3843  1188.07   59.841    1250.11   85.058    1127.27   84.205    96.219  3.3004  91.337  3.4420  4.882111       4.768598 
1 1 1 14  -15 24 o 70.220  2.1670  665.797   40.750    682.431   58.067    649.656   57.202    71.087  3.0497  69.353  3.0793  1.733681       4.333919 
1 1 1 14  -15 25 f 21.954  2.7270  69.952    15.048    47.157    21.837    90.567    20.767    18.213  4.5020  25.696  3.0786  -7.482672      5.453937 
1 1 1 14  -15 26 o 23.022  2.6262  74.790    15.340    94.455    21.909    55.878    21.486    26.198  3.1880  19.846  4.1742  6.352055       5.252372 
1 1 1 14  -15 27 o 26.376  2.4671  97.966    16.543    75.010    23.461    120.668   23.331    23.085  3.9354  29.667  2.9762  -6.581661      4.934103 
1 1 1 14  -15 28 o 17.402  2.6791  43.694    11.773    40.609    19.517    45.459    14.761    16.805  4.3141  18.000  3.1777  -1.195889      5.358116 
1 1 1 14  -15 29 o 38.898  1.9771  202.225   20.184    238.718   31.905    177.875   26.062    41.744  2.8709  36.051  2.7190  5.693443       3.954154 
1 1 1 14  -15 30 f 40.257  2.0231  221.470   21.381    229.662   33.291    215.718   27.896    40.815  3.0676  39.699  2.6384  1.116131       4.046205 
1 1 1 14  -15 31 o 23.547  2.6367  83.737    14.964    62.233    24.246    96.967    19.018    20.598  4.5189  26.497  2.7182  -5.898146      5.273396 
1 1 1 14  -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -15 33 o 18.362  2.9715  53.417    14.022    36.643    23.818    62.315    17.347    15.768  5.0136  20.956  3.1912  -5.188004      5.943016 
1 1 1 14  -15 34 o 12.609  2.8328  17.014    11.048    39.691    19.332    6.0166    13.462    16.244  4.3545  8.9754  3.6245  7.268111       5.665535 
1 1 1 14  -15 35 o 10.634  3.0261  9.9675    12.458    11.970    22.270    9.0555    15.030    11.485  4.6533  9.7827  3.8699  1.702185       6.052280 
1 1 1 14  -15 36 o 21.006  3.0252  64.975    15.846    78.448    27.043    57.930    19.556    22.395  4.6600  19.618  3.8591  2.777481       6.050473 
1 1 1 14  -15 37 o 18.880  3.0539  64.677    15.895    26.740    27.081    84.616    19.633    13.657  5.2543  24.102  3.1139  -10.44486      6.107709 
1 1 1 14  -15 38 o 25.990  3.0431  112.285   18.772    89.328    31.574    124.836   23.346    22.771  5.2796  29.210  3.0280  -6.439081      6.086290 
1 1 1 14  -15 39 o 8.2750  2.6051  -1.6870   11.824    -22.8192  22.608    6.2685    13.872    7.8083  3.7460  8.7417  3.6214  -0.9333816     5.210284 
1 1 1 14  -15 40 o 12.265  5.0388  22.003    26.559    22.003    26.559    0.0000    0.0000    12.265  5.0388  ?       ?       ?              ?        
1 1 1 14  -15 41 o 12.250  3.3821  22.435    14.808    33.555    27.679    17.976    17.527    13.538  5.2830  10.962  4.2243  2.576536       6.764231 
1 1 1 14  -15 42 o 18.013  3.3703  68.601    18.526    33.971    32.876    84.713    22.425    13.321  5.5515  22.706  3.8232  -9.384305      6.740579 
1 1 1 14  -15 43 o 20.828  3.1703  101.656   20.285    28.350    36.198    135.217   24.493    12.379  5.4889  29.278  3.1740  -16.89975      6.340544 
1 1 1 14  -15 44 o 13.707  3.7341  41.531    18.011    58.098    33.835    34.980    21.276    14.542  5.7894  12.871  4.7178  1.671322       7.468213 
1 1 1 14  -14 0  o 23.214  1.8523  73.997    11.075    58.273    15.622    89.880    15.701    20.638  2.9066  25.789  2.2971  -5.150753      3.704700 
1 1 1 14  -14 1  o 68.753  1.9266  635.429   35.387    585.829   50.237    684.279   49.855    66.080  2.8383  71.427  2.6059  -5.346870      3.853162 
1 1 1 14  -14 2  o 120.882 2.6320  1963.11   85.212    1946.16   120.979   1979.81   120.043   120.360 3.7526  121.403 3.6917  -1.042130      5.264078 
1 1 1 14  -14 3  o 84.563  2.0979  959.649   47.513    948.687   67.412    970.469   66.976    84.081  2.9933  85.044  2.9403  -0.9627533     4.195815 
1 1 1 14  -14 4  o 61.961  1.8787  515.225   31.141    483.655   43.878    547.265   44.203    60.045  2.7282  63.877  2.5836  -3.832066      3.757390 
1 1 1 14  -14 5  o 200.910 3.9706  5445.40   213.618   5309.88   302.274   5580.61   301.929   198.393 5.6883  203.426 5.5413  -5.032547      7.941201 
1 1 1 14  -14 6  o 72.280  2.0077  701.176   38.795    645.966   54.426    758.205   55.315    69.382  2.9287  75.177  2.7470  -5.795349      4.015369 
1 1 1 14  -14 7  o 87.872  2.1469  1036.33   50.495    985.020   70.966    1088.94   71.864    85.666  3.0928  90.078  2.9785  -4.412872      4.293846 
1 1 1 14  -14 8  o 143.351 2.9250  2763.50   112.303   2784.95   158.510   2741.87   159.134   143.913 4.1121  142.789 4.1608  1.124420       5.849970 
1 1 1 14  -14 9  o 56.904  1.7702  434.634   26.953    457.583   38.115    411.681   38.118    58.410  2.4363  55.399  2.5689  3.011654       3.540412 
1 1 1 14  -14 10 o 87.051  2.1260  1017.14   49.571    1026.85   70.398    1007.58   69.812    87.464  3.0050  86.639  3.0084  0.8245316      4.252094 
1 1 1 14  -14 11 o 112.852 2.4842  1711.06   75.085    1711.64   106.742   1710.49   105.639   112.869 3.5308  112.835 3.4954  0.3414917E-01  4.968328 
1 1 1 14  -14 12 o 116.308 2.5354  1817.61   78.978    1844.04   112.521   1791.95   110.882   117.141 3.5862  115.475 3.5850  1.666351       5.070780 
1 1 1 14  -14 13 o 85.040  2.1189  971.349   48.235    955.434   69.057    986.511   67.403    84.355  3.0564  85.725  2.9355  -1.369499      4.237775 
1 1 1 14  -14 14 o 52.566  1.8763  375.025   26.079    324.431   37.687    421.512   36.126    49.077  2.8796  56.056  2.4061  -6.978462      3.752524 
1 1 1 14  -14 15 o 42.986  1.8224  247.597   20.556    312.623   30.245    191.774   28.023    48.276  2.3390  37.695  2.7954  10.58107       3.644891 
1 1 1 14  -14 16 o 140.879 3.0002  2673.45   113.171   2612.13   160.758   2733.69   159.347   139.265 4.3096  142.493 4.1750  -3.228165      6.000318 
1 1 1 14  -14 17 o 114.489 2.5902  1762.97   79.424    1767.25   113.093   1758.81   111.568   114.623 3.6836  114.355 3.6425  0.2684479      5.180403 
1 1 1 14  -14 18 o 38.994  1.9537  204.798   20.227    210.702   29.802    199.756   27.541    39.509  2.8350  38.479  2.6891  1.029732       3.907493 
1 1 1 14  -14 19 o 79.635  2.1397  851.711   45.557    924.284   65.364    783.156   63.529    82.939  2.9423  76.331  3.1073  6.608505       4.279308 
1 1 1 14  -14 20 o 181.502 3.6809  4462.79   178.945   4476.32   253.312   4449.31   252.820   181.778 5.2027  181.227 5.2084  0.5515137      7.361708 
1 1 1 14  -14 21 f 87.997  2.2714  1042.41   53.502    1091.26   76.009    994.444   75.321    90.049  3.1514  85.945  3.2720  4.103714       4.542786 
1 1 1 14  -14 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -14 23 f 115.229 2.6778  1796.69   82.584    1875.79   116.709   1717.36   116.873   117.797 3.6990  112.662 3.8730  5.134964       5.355620 
1 1 1 14  -14 24 o 8.7917  2.6747  -2.6077   11.662    -10.0828  16.746    4.4314    16.250    7.9390  3.6081  9.6444  3.9494  -1.705387      5.349397 
1 1 1 14  -14 25 o 73.344  2.2036  727.226   43.284    711.067   60.837    743.791   61.596    72.516  3.1322  74.173  3.1004  -1.657043      4.407132 
1 1 1 14  -14 26 o 21.377  2.6021  78.212    13.313    22.443    20.926    116.136   17.256    13.475  4.7085  29.279  2.2168  -15.80454      5.204201 
1 1 1 14  -14 27 o 35.823  1.9650  169.149   18.327    223.977   28.777    131.738   23.771    40.601  2.6610  31.044  2.8921  9.556198       3.929982 
1 1 1 14  -14 28 o 52.228  1.9646  369.031   27.201    390.345   41.353    352.776   36.114    53.517  2.8956  50.940  2.6560  2.577019       3.929286 
1 1 1 14  -14 29 o 29.884  2.3829  133.618   17.022    86.820    26.344    167.158   22.302    24.726  4.1228  35.041  2.3905  -10.31422      4.765735 
1 1 1 14  -14 30 o 16.744  2.6509  44.275    11.765    22.449    19.004    57.839    14.981    13.084  4.4919  20.404  2.8162  -7.320587      5.301699 
1 1 1 14  -14 31 o 27.805  2.2841  109.733   16.075    99.336    25.532    116.560   20.691    26.514  3.6958  29.097  2.6851  -2.583036      4.568257 
1 1 1 14  -14 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -14 33 o 32.223  2.3310  148.373   19.081    134.984   30.439    157.040   24.489    30.763  3.7732  33.682  2.7382  -2.918795      4.662088 
1 1 1 14  -14 34 o 53.035  2.1747  394.066   30.303    387.685   46.741    398.693   39.802    52.461  3.3438  53.609  2.7814  -1.147976      4.349367 
1 1 1 14  -14 35 o 18.714  2.9692  50.367    14.025    62.814    23.844    43.783    17.342    20.295  4.5039  17.134  3.8702  3.161037       5.938342 
1 1 1 14  -14 36 o 17.816  3.1291  49.217    14.449    48.848    24.277    49.419    17.980    17.503  4.9547  18.130  3.8229  -0.6277523     6.258111 
1 1 1 14  -14 37 o 12.216  2.9301  21.480    13.296    -5.3721   23.343    34.377    16.177    9.5307  4.3027  14.900  3.9786  -5.369585      5.860236 
1 1 1 14  -14 38 o 13.755  3.2872  30.922    14.515    21.864    25.362    35.334    17.700    12.676  5.0230  14.834  4.2417  -2.158401      6.574395 
1 1 1 14  -14 39 o 18.947  3.2773  61.204    15.856    58.397    27.949    62.537    19.255    17.895  5.3885  20.000  3.7318  -2.104195      6.554513 
1 1 1 14  -14 40 o 11.429  4.7744  15.958    24.400    15.958    24.400    0.0000    0.0000    11.429  4.7744  ?       ?       ?              ?        
1 1 1 14  -14 41 o 10.784  2.9751  16.010    13.660    -10.4934  26.565    25.537    15.927    9.1794  4.3007  12.388  4.1120  -3.208295      5.950195 
1 1 1 14  -14 42 o 10.700  2.9743  15.265    14.343    -16.3379  27.045    27.633    16.918    8.7592  4.1734  12.641  4.2390  -3.882248      5.948692 
1 1 1 14  -14 43 o 16.190  3.6323  54.180    17.353    53.391    32.317    54.500    20.570    15.126  5.7587  17.253  4.4287  -2.127534      7.264695 
1 1 1 14  -14 44 o 10.806  3.2486  18.686    14.746    25.995    30.159    16.389    16.904    11.554  5.0711  10.059  4.0617  1.494521       6.497166 
1 1 1 14  -13 0  o 55.650  1.7883  415.388   26.650    409.173   37.911    421.460   37.471    55.237  2.5624  56.062  2.4953  -0.8251534     3.576678 
1 1 1 14  -13 1  o 101.367 2.3305  1379.68   63.251    1343.87   89.845    1414.86   89.060    100.058 3.3524  102.675 3.2384  -2.616745      4.661077 
1 1 1 14  -13 2  f 79.742  2.0133  852.974   43.000    855.289   61.087    850.701   60.538    79.848  2.8563  79.635  2.8382  0.2135696      4.026581 
1 1 1 14  -13 3  o 133.559 2.8002  2396.64   100.171   2388.68   142.069   2404.50   141.262   133.336 3.9780  133.781 3.9422  -0.4447784     5.600483 
1 1 1 14  -13 4  o 76.471  2.0065  785.280   41.032    733.229   58.007    837.407   58.049    73.928  2.9294  79.014  2.7429  -5.086075      4.013089 
1 1 1 14  -13 5  o 198.479 3.8927  5309.60   206.923   5227.01   292.774   5392.02   292.494   196.926 5.5506  200.031 5.4592  -3.105072      7.785394 
1 1 1 14  -13 6  o 126.620 2.6965  2154.23   91.414    2077.62   129.058   2231.36   129.502   124.354 3.8747  128.886 3.7513  -4.531723      5.393093 
1 1 1 14  -13 7  o 102.341 2.3384  1406.15   64.093    1420.56   90.324    1391.55   90.962    102.871 3.2781  101.811 3.3356  1.059944       4.676801 
1 1 1 14  -13 8  o 58.008  1.7614  451.245   27.357    435.005   38.493    467.821   38.888    56.952  2.5234  59.063  2.4582  -2.111294      3.522773 
1 1 1 14  -13 9  o 177.751 3.5455  4255.90   168.803   4263.05   238.985   4248.79   238.465   177.899 5.0154  177.602 5.0129  0.2973938      7.091078 
1 1 1 14  -13 10 o 35.574  1.6888  171.452   15.902    155.490   22.960    186.167   22.045    33.953  2.5431  37.196  2.2229  -3.242870      3.377696 
1 1 1 14  -13 11 o 72.529  1.9377  705.342   37.630    726.657   54.021    685.249   52.449    73.592  2.7405  71.465  2.7400  2.127548       3.875344 
1 1 1 14  -13 12 o 12.986  2.2643  23.901    8.6054    8.1780    12.576    37.744    11.801    9.4203  3.5910  16.551  2.7590  -7.130521      4.528521 
1 1 1 14  -13 13 o 66.374  1.8808  591.621   33.401    577.979   48.028    604.399   46.484    65.629  2.7322  67.119  2.5856  -1.490135      3.761657 
1 1 1 14  -13 14 o 45.034  1.7609  273.252   21.105    267.263   30.748    278.586   29.020    44.557  2.5876  45.511  2.3890  -0.9542389     3.521751 
1 1 1 14  -13 15 o 94.390  2.2899  1198.15   57.822    1145.86   82.478    1248.69   81.086    92.354  3.3342  96.426  3.1395  -4.072197      4.579717 
1 1 1 14  -13 16 o 109.967 2.4962  1625.06   73.515    1658.29   104.803   1592.88   103.149   111.074 3.5227  108.860 3.5376  2.214264       4.992379 
1 1 1 14  -13 17 o 66.898  2.0069  600.481   35.945    611.618   51.792    590.132   49.926    67.494  2.8649  66.301  2.8113  1.193039       4.013888 
1 1 1 14  -13 18 o 86.656  2.2079  1008.61   51.236    1038.38   73.036    979.762   71.894    87.917  3.1015  85.395  3.1432  2.521332       4.415761 
1 1 1 14  -13 19 o 135.936 2.8832  2489.33   104.967   2538.57   148.733   2440.46   148.160   137.282 4.0449  134.591 4.1099  2.691635       5.766450 
1 1 1 14  -13 20 o 128.073 2.8090  2210.48   96.348    2251.23   136.342   2169.83   136.172   129.259 3.9380  126.887 4.0066  2.371758       5.617950 
1 1 1 14  -13 21 o 51.629  2.0563  359.505   28.318    354.705   40.178    364.244   39.918    51.282  2.9373  51.976  2.8786  -0.6943207     4.112671 
1 1 1 14  -13 22 o 112.015 5.2414  1704.86   157.258   1704.86   157.258   0.0000    0.0000    112.015 5.2414  ?       ?       ?              ?        
1 1 1 14  -13 23 o 40.267  3.1280  220.206   33.007    196.505   44.272    249.864   49.525    37.817  4.4562  42.718  4.3909  -4.900295      6.256065 
1 1 1 14  -13 24 o 50.734  2.0344  355.945   26.853    293.859   40.238    405.801   36.057    46.547  3.2478  54.922  2.4511  -8.374874      4.068895 
1 1 1 14  -13 25 o 18.491  2.5933  48.335    12.022    45.962    19.678    49.749    15.186    18.032  4.1591  18.951  3.0988  -0.9191113     5.186532 
1 1 1 14  -13 26 o 29.022  2.0547  112.454   15.558    131.461   24.489    99.591    20.146    31.038  2.9824  27.006  2.8270  4.032080       4.109370 
1 1 1 14  -13 27 o 40.504  1.9681  224.579   20.909    213.223   31.933    233.103   27.664    39.539  3.0384  41.469  2.5023  -1.929096      3.936206 
1 1 1 14  -13 28 o 35.168  2.0241  170.808   18.522    158.360   28.516    179.894   24.361    33.962  3.1714  36.374  2.5159  -2.412102      4.048149 
1 1 1 14  -13 29 o 54.968  2.0169  410.444   29.423    428.918   44.423    396.008   39.271    56.025  2.9710  53.911  2.7285  2.113342       4.033749 
1 1 1 14  -13 30 o 50.035  2.0765  346.868   27.263    315.148   41.303    371.360   36.294    47.822  3.2437  52.249  2.5934  -4.426537      4.152969 
1 1 1 14  -13 31 o 20.420  2.7438  62.757    13.855    48.599    22.527    71.372    17.572    18.198  4.6149  22.641  2.9691  -4.443451      5.487519 
1 1 1 14  -13 32 o 39.823  5.0618  231.651   52.772    231.651   52.772    0.0000    0.0000    39.823  5.0618  ?       ?       ?              ?        
1 1 1 14  -13 33 o 66.580  2.1751  611.244   38.536    633.053   58.305    594.328   51.352    67.524  3.2237  65.635  2.9210  1.889557       4.350249 
1 1 1 14  -13 34 o 15.029  2.9170  28.650    12.369    53.482    20.961    15.383    15.321    18.961  4.2343  11.097  4.0132  7.864242       5.833941 
1 1 1 14  -13 35 o 28.352  2.4618  113.287   17.790    125.051   29.269    106.396   22.402    29.320  3.8176  27.384  3.1094  1.935785       4.923642 
1 1 1 14  -13 36 o 26.375  2.6986  104.271   17.223    97.411    29.519    107.811   21.206    25.201  4.5401  27.549  2.9183  -2.348372      5.397149 
1 1 1 14  -13 37 o 9.6550  2.8624  2.5639    11.818    16.072    21.122    -3.5926   14.259    11.676  4.5975  7.6342  3.4113  4.041477       5.724846 
1 1 1 14  -13 38 o 10.016  2.9672  8.2550    12.535    3.3383    23.982    10.103    14.703    10.361  4.5355  9.6710  3.8270  0.6903210      5.934364 
1 1 1 14  -13 39 o 30.249  2.7067  139.536   20.681    151.624   34.349    132.663   25.902    30.761  4.2852  29.738  3.3079  1.023617       5.413480 
1 1 1 14  -13 40 o 16.314  5.5409  50.762    28.910    50.762    28.910    0.0000    0.0000    16.314  5.5409  ?       ?       ?              ?        
1 1 1 14  -13 41 o 17.933  3.0735  65.913    17.371    15.316    30.781    89.558    21.043    11.793  5.1509  24.074  3.3546  -12.28055      6.146963 
1 1 1 14  -13 42 o 9.0307  2.8636  1.7610    13.914    -11.9903  26.482    7.0047    16.353    8.9727  4.2319  9.0887  3.8588  -0.1159182     5.727120 
1 1 1 14  -13 43 o 16.819  3.4195  40.802    16.805    105.421   31.981    16.152    19.752    23.091  5.2850  10.546  4.3406  12.54438       6.839029 
1 1 1 14  -13 44 o 21.588  3.6556  100.282   19.907    95.760    37.296    102.084   23.540    18.781  6.2939  24.395  3.7205  -5.613890      7.311284 
1 1 1 14  -12 0  o 135.385 2.8116  2462.06   101.917   2551.26   144.718   2374.29   143.554   137.824 3.9202  132.947 4.0313  4.876862       5.623142 
1 1 1 14  -12 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -12 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -12 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -12 4  o 41.344  3.7195  231.361   40.748    231.361   40.748    0.0000    0.0000    41.344  3.7195  ?       ?       ?              ?        
1 1 1 14  -12 5  o 173.485 4.9991  4071.82   232.145   3967.28   331.399   4172.54   325.290   171.260 7.2245  175.709 6.9118  -4.448166      9.998257 
1 1 1 14  -12 6  o 77.199  2.8862  800.242   59.363    890.676   86.005    717.956   82.039    81.427  3.9434  72.971  4.2154  8.456535       5.772312 
1 1 1 14  -12 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -12 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -12 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -12 10 o 175.012 3.4615  4123.75   162.247   4208.97   230.406   4039.94   228.510   176.811 4.8651  173.213 4.9253  3.598145       6.923042 
1 1 1 14  -12 11 f 159.205 3.2287  3411.35   137.666   3375.16   195.418   3447.00   193.969   158.360 4.6071  160.050 4.5247  -1.690536      6.457421 
1 1 1 14  -12 12 o 28.743  1.7358  111.712   13.187    110.360   19.423    112.868   17.960    28.569  2.5656  28.917  2.3388  -0.3483448     3.471651 
1 1 1 14  -12 13 o 129.881 2.7711  2268.38   96.385    2239.83   137.069   2296.30   135.560   129.067 3.9649  130.695 3.8724  -1.628601      5.542243 
1 1 1 14  -12 14 o 107.942 2.4604  1565.37   71.128    1567.93   101.375   1562.89   99.823    108.027 3.5036  107.858 3.4553  0.1688309      4.920819 
1 1 1 14  -12 15 f 18.300  2.4158  46.302    11.392    49.510    16.637    43.471    15.631    18.910  3.4102  17.690  3.4228  1.220100       4.831649 
1 1 1 14  -12 16 o 80.586  2.1428  871.487   46.231    908.933   66.175    835.785   64.615    82.278  3.0028  78.894  3.0578  3.383881       4.285622 
1 1 1 14  -12 17 o 28.838  2.1422  112.370   16.064    138.231   23.638    90.180    21.897    31.970  2.7884  25.707  3.2529  6.263269       4.284482 
1 1 1 14  -12 18 o 216.977 4.2598  6376.41   247.523   6514.05   350.186   6238.97   349.915   219.342 5.9606  214.611 6.0873  4.731354       8.519571 
1 1 1 14  -12 19 o 233.584 4.5688  7410.70   285.741   7634.71   403.926   7186.31   404.271   237.169 6.3585  229.999 6.5623  7.169678       9.137528 
1 1 1 14  -12 20 o 48.092  1.9966  311.737   25.597    302.467   36.109    321.102   36.293    47.367  2.8595  48.817  2.7872  -1.450199      3.993129 
1 1 1 14  -12 21 o 38.600  1.9194  202.720   19.455    190.140   29.451    212.460   25.914    37.496  2.9564  39.705  2.4486  -2.209255      3.838776 
1 1 1 14  -12 22 o 120.473 2.6609  1955.30   85.819    2025.66   123.726   1890.06   119.136   122.559 3.7690  118.388 3.7570  4.170570       5.321742 
1 1 1 14  -12 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -12 24 o 38.316  2.0146  199.930   20.234    191.706   30.949    206.069   26.742    37.581  3.1023  39.052  2.5710  -1.470219      4.029164 
1 1 1 14  -12 25 o 115.613 2.6390  1811.61   81.641    1808.51   117.996   1814.46   113.078   115.487 3.8146  115.738 3.6476  -0.2510071     5.277900 
1 1 1 14  -12 26 o 34.388  2.3349  175.742   19.115    104.550   28.913    231.018   25.476    27.423  4.0588  41.354  2.3093  -13.93029      4.669742 
1 1 1 14  -12 27 o 51.406  1.9708  358.781   26.844    356.013   40.326    360.983   35.971    51.187  2.9539  51.625  2.6098  -0.4382553     3.941642 
1 1 1 14  -12 28 o 44.226  1.9458  265.052   22.755    274.266   34.651    258.066   30.174    44.864  2.8990  43.588  2.5962  1.275879       3.891635 
1 1 1 14  -12 29 o 70.534  2.1141  675.205   39.801    707.062   59.285    649.064   53.703    72.009  3.0738  69.059  2.9033  2.949982       4.228144 
1 1 1 14  -12 30 o 62.830  2.0988  540.341   35.015    535.481   52.516    544.230   46.982    62.461  3.1491  63.198  2.7754  -0.7372360     4.197634 
1 1 1 14  -12 31 o 42.808  2.0570  250.311   23.130    261.274   36.072    242.656   30.142    43.523  3.1149  42.094  2.6874  1.428986       4.113985 
1 1 1 14  -12 32 o 13.119  5.5070  8.6407    32.700    8.6407    32.700    0.0000    0.0000    13.119  5.5070  ?       ?       ?              ?        
1 1 1 14  -12 33 o 29.872  2.2967  120.135   17.694    152.713   28.770    100.316   22.440    33.011  3.2979  26.734  3.1972  6.277596       4.593318 
1 1 1 14  -12 34 o 35.971  2.1978  177.544   20.604    201.120   33.005    162.491   26.373    37.804  3.2924  34.138  2.9121  3.666389       4.395507 
1 1 1 14  -12 35 o 7.4002  2.4088  -9.7122   8.9834    0.3934    18.960    -12.6376  10.201    9.4271  4.0806  5.3733  2.5610  4.053765       4.817687 
1 1 1 14  -12 36 o 29.283  2.8318  135.912   19.489    97.913    31.955    158.415   24.591    25.012  4.9451  33.553  2.7608  -8.541124      5.663519 
1 1 1 14  -12 37 o 30.838  2.5773  138.494   19.974    148.082   33.723    133.314   24.789    31.254  4.1295  30.421  3.0849  0.8326359      5.154572 
1 1 1 14  -12 38 o 25.773  2.9589  103.693   18.375    102.328   32.007    104.364   22.442    24.912  4.9710  26.633  3.2106  -1.721445      5.917706 
1 1 1 14  -12 39 o 34.524  2.6590  184.837   22.958    175.628   37.769    190.234   28.914    33.066  4.3716  35.982  3.0282  -2.915558      5.317981 
1 1 1 14  -12 40 o 12.289  5.7411  -0.2924   46.772    -0.2924   46.772    0.0000    0.0000    12.289  5.7411  ?       ?       ?              ?        
1 1 1 14  -12 41 o 8.7639  2.8075  -1.2083   12.764    -0.2041   24.551    -1.5802   14.942    9.7256  4.3997  7.8022  3.4887  1.923459       5.615010 
1 1 1 14  -12 42 o 15.758  3.4726  49.905    17.498    29.688    31.404    59.009    21.072    13.035  5.4283  18.481  4.3324  -5.445688      6.945272 
1 1 1 14  -12 43 o 25.935  3.6077  135.993   22.300    106.860   39.283    149.846   27.088    21.169  6.3914  30.701  3.3485  -9.531324      7.215401 
1 1 1 14  -12 44 o 7.4885  2.5638  -14.4133  14.351    -29.7235  28.871    -9.3896   16.538    7.9337  3.9003  7.0432  3.3287  0.8905001      5.127624 
1 1 1 14  -11 0  o 43.853  1.6638  258.653   19.443    276.077   27.630    241.563   27.364    45.326  2.2832  42.380  2.4206  2.945423       3.327509 
1 1 1 14  -11 1  o 85.999  2.0882  992.231   48.047    1052.00   68.275    933.588   67.628    88.568  2.8780  83.429  3.0263  5.139580       4.176337 
1 1 1 14  -11 2  o 54.046  1.7227  391.692   24.926    405.763   35.271    377.651   35.232    55.017  2.3935  53.075  2.4783  1.941925       3.445376 
1 1 1 14  -11 3  o 145.618 2.9716  2848.25   115.902   2837.34   164.185   2859.09   163.636   145.338 4.2176  145.898 4.1874  -0.5590668     5.943238 
1 1 1 14  -11 4  o 132.299 2.7540  2350.33   97.578    2310.52   138.096   2390.03   137.896   131.177 3.9304  133.421 3.8587  -2.244080      5.507950 
1 1 1 14  -11 5  o 66.042  1.8714  584.895   33.075    553.013   46.502    617.538   47.053    64.219  2.7034  67.866  2.5885  -3.646729      3.742861 
1 1 1 14  -11 6  o 127.819 2.7176  2194.00   93.025    2149.87   131.553   2238.12   131.561   126.530 3.8817  129.108 3.8044  -2.577744      5.435142 
1 1 1 14  -11 7  o 122.473 2.6353  2013.96   86.443    2044.29   122.534   1983.92   121.967   123.393 3.7075  121.554 3.7461  1.838844       5.270576 
1 1 1 14  -11 8  o 156.827 3.1798  3306.88   133.562   3282.68   189.578   3330.73   188.200   156.253 4.5297  157.401 4.4640  -1.148209      6.359669 
1 1 1 14  -11 9  o 65.672  1.8303  578.127   32.184    586.561   46.259    570.216   44.806    66.135  2.6114  65.208  2.5653  0.9264221      3.660654 
1 1 1 14  -11 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -11 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -11 12 o 84.053  2.0891  948.304   47.012    939.706   67.337    956.481   65.664    83.678  3.0043  84.428  2.9037  -0.7494049     4.178236 
1 1 1 14  -11 13 o 115.097 2.5822  1780.34   79.584    1751.97   113.236   1808.03   111.874   114.186 3.7024  116.009 3.6004  -1.822945      5.164335 
1 1 1 14  -11 14 f 181.278 3.6104  4430.00   175.292   4499.45   248.591   4361.32   247.217   182.697 5.0800  179.859 5.1317  2.838211       7.220840 
1 1 1 14  -11 15 o 101.814 2.3904  1392.30   65.183    1414.54   92.726    1370.59   91.647    102.618 3.3736  101.010 3.3874  1.607895       4.780746 
1 1 1 14  -11 16 o 42.745  1.8684  245.799   21.269    259.975   30.635    232.607   29.553    43.940  2.6148  41.549  2.6696  2.390865       3.736832 
1 1 1 14  -11 17 o 144.822 3.0629  2823.84   118.809   2814.79   167.820   2832.94   168.222   144.588 4.3333  145.055 4.3297  -0.4661407     6.125722 
1 1 1 14  -11 18 o 128.092 2.8247  2208.43   96.881    2264.61   136.703   2151.75   137.321   129.738 3.9339  126.446 4.0545  3.292198       5.649314 
1 1 1 14  -11 19 o 218.022 4.2547  6440.37   248.421   6374.39   353.404   6504.82   349.274   216.891 6.0833  219.154 5.9502  -2.263062      8.509485 
1 1 1 14  -11 20 o 96.086  2.3101  1239.43   59.409    1284.43   86.074    1198.50   82.101    97.747  3.2876  94.425  3.2462  3.321617       4.620168 
1 1 1 14  -11 21 o 33.390  1.9330  148.805   17.021    169.239   25.928    133.329   22.563    35.389  2.7571  31.391  2.7101  3.997988       3.866058 
1 1 1 14  -11 22 o 21.908  2.4057  63.424    13.002    102.273   20.583    37.626    16.773    27.438  2.8419  16.379  3.8825  11.05878       4.811447 
1 1 1 14  -11 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -11 24 f 16.584  2.7948  36.623    12.185    51.795    19.531    26.952    15.592    19.225  3.9256  13.943  3.9791  5.281502       5.589605 
1 1 1 14  -11 25 o 56.718  1.9674  430.948   29.781    464.388   44.485    403.790   40.090    58.694  2.8297  54.742  2.7341  3.951431       3.934795 
1 1 1 14  -11 26 o 73.965  2.1446  743.213   42.223    697.745   62.073    782.366   57.602    71.804  3.2275  76.126  2.8250  -4.322235      4.289205 
1 1 1 14  -11 27 o 68.902  2.0975  643.465   38.528    635.703   57.140    649.935   52.171    68.482  3.1151  69.322  2.8098  -0.8399429     4.195090 
1 1 1 14  -11 28 o 36.398  2.0494  184.053   19.337    162.354   29.585    200.237   25.550    34.393  3.2501  38.404  2.4974  -4.011013      4.098776 
1 1 1 14  -11 29 o 32.972  2.1220  150.823   18.085    140.845   28.226    157.773   23.556    31.932  3.3500  34.012  2.6055  -2.079599      4.243965 
1 1 1 14  -11 30 o 10.439  2.3007  10.207    9.6976    -19.0453  15.600    28.632    12.380    6.7025  3.1868  14.175  3.3192  -7.472798      4.601357 
1 1 1 14  -11 31 o 30.268  2.2448  128.326   17.359    121.485   27.696    132.752   22.278    29.448  3.5854  31.087  2.7023  -1.639351      4.489700 
1 1 1 14  -11 32 o 89.482  5.3861  1165.54   128.491   1165.54   128.491   0.0000    0.0000    89.482  5.3861  ?       ?       ?              ?        
1 1 1 14  -11 33 o 45.659  2.1188  286.376   25.357    302.064   39.972    275.812   32.802    46.583  3.2235  44.736  2.7508  1.846951       4.237673 
1 1 1 14  -11 34 o 34.845  2.2176  165.102   20.128    199.656   32.282    143.125   25.746    37.713  3.2269  31.976  3.0427  5.736919       4.435150 
1 1 1 14  -11 35 o 34.106  2.4012  169.060   20.648    152.077   33.355    179.611   26.290    32.335  3.9322  35.878  2.7569  -3.543285      4.802370 
1 1 1 14  -11 36 o 33.282  2.4568  159.598   20.801    161.504   34.112    158.470   26.246    33.115  3.9220  33.450  2.9600  -0.3349800     4.913645 
1 1 1 14  -11 37 o 29.556  2.6648  129.251   19.414    131.723   33.308    127.979   23.892    29.266  4.3840  29.847  3.0306  -0.5805073     5.329536 
1 1 1 14  -11 38 o 11.028  3.1112  13.877    12.808    13.674    24.602    13.953    15.002    11.629  4.8206  10.427  3.9347  1.201836       6.222501 
1 1 1 14  -11 39 o 17.225  3.3138  39.669    15.145    84.364    29.146    23.137    17.726    22.207  5.0183  12.243  4.3292  9.963865       6.627556 
1 1 1 14  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -11 41 o 14.166  3.3621  27.062    14.083    59.844    27.526    15.439    16.390    17.788  5.3456  10.544  4.0790  7.243196       6.724123 
1 1 1 14  -11 42 o 14.912  3.2482  44.031    17.695    2.1419    32.046    62.406    21.224    10.697  4.9105  19.126  4.2531  -8.428211      6.496340 
1 1 1 14  -11 43 o 12.853  3.1691  31.258    16.621    -8.1633   30.619    47.726    19.790    9.5676  4.5240  16.139  4.4393  -6.571605      6.338299 
1 1 1 14  -11 44 o 9.4590  3.0072  8.1672    15.045    -3.3504   31.143    11.673    17.183    9.5080  4.5154  9.4099  3.9731  0.9813118E-01  6.014476 
1 1 1 14  -10 0  o 126.432 2.7146  2145.55   91.924    2132.14   130.368   2158.80   129.635   126.037 3.8617  126.826 3.8161  -0.7887878     5.429188 
1 1 1 14  -10 1  o 129.433 2.7218  2248.52   94.358    2241.92   133.747   2255.06   133.140   129.243 3.8636  129.623 3.8348  -0.3805542     5.443581 
1 1 1 14  -10 2  o 44.829  1.6078  269.710   19.271    272.096   27.177    267.297   27.330    45.058  2.2519  44.599  2.2956  0.4587822      3.215699 
1 1 1 14  -10 3  o 123.254 2.6447  2039.21   87.280    1977.46   123.483   2100.86   123.383   121.385 3.7980  125.123 3.6815  -3.737968      5.289476 
1 1 1 14  -10 4  o 81.877  2.0624  899.294   45.197    858.041   63.815    940.815   64.022    79.990  2.9785  83.764  2.8535  -3.774055      4.124813 
1 1 1 14  -10 5  o 45.775  1.6841  281.628   20.577    281.203   29.095    282.053   29.106    45.741  2.3830  45.810  2.3803  -0.6946564E-01 3.368152 
1 1 1 14  -10 6  o 182.665 3.6011  4487.38   176.181   4454.64   249.607   4519.87   248.712   181.997 5.1204  183.333 5.0649  -1.335999      7.202177 
1 1 1 14  -10 7  o 50.951  1.6905  347.843   23.063    354.286   33.135    341.789   32.121    51.409  2.4064  50.494  2.3750  0.9142265      3.380986 
1 1 1 14  -10 8  o 62.769  1.7697  527.841   29.740    549.045   42.688    507.843   41.457    63.993  2.4905  61.545  2.5149  2.448620       3.539362 
1 1 1 14  -10 9  o 49.144  1.6788  323.885   22.077    321.528   31.884    326.055   30.598    48.971  2.4308  49.317  2.3163  -0.3460808     3.357697 
1 1 1 14  -10 10 o 93.570  2.2088  1174.49   55.350    1195.10   79.084    1154.70   77.494    94.374  3.1286  92.766  3.1188  1.608330       4.417597 
1 1 1 14  -10 11 o 84.189  2.8433  950.752   64.044    986.981   93.326    918.506   88.047    85.699  4.0657  82.679  3.9758  3.020065       5.686585 
1 1 1 14  -10 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -10 13 o 194.896 3.8380  5121.87   200.344   5196.30   283.918   5048.05   282.745   196.313 5.3995  193.479 5.4560  2.834305       7.676087 
1 1 1 14  -10 14 o 141.161 2.9651  2680.60   112.063   2776.11   158.791   2585.83   158.173   143.676 4.1262  138.646 4.2593  5.030212       5.930178 
1 1 1 14  -10 15 o 73.682  2.0512  728.671   40.479    737.912   57.267    719.443   57.224    74.150  2.8834  73.214  2.9181  0.9356766      4.102351 
1 1 1 14  -10 16 o 77.516  2.0363  804.932   42.233    840.245   61.528    773.474   58.073    79.119  2.9034  75.913  2.8561  3.205963       4.072673 
1 1 1 14  -10 17 o 121.603 2.6829  1992.03   87.219    1894.25   125.063   2084.61   121.698   118.674 3.9345  124.532 3.6485  -5.857872      5.365763 
1 1 1 14  -10 18 f 106.570 2.4451  1524.19   69.738    1610.10   100.580   1444.65   96.780    109.461 3.4305  103.679 3.4850  5.782089       4.890191 
1 1 1 14  -10 19 o 83.149  2.1503  928.370   47.836    932.447   69.399    924.679   66.026    83.318  3.1098  82.981  2.9707  0.3369675      4.300634 
1 1 1 14  -10 20 o 24.353  2.1098  79.561    13.359    91.706    20.553    70.677    17.579    25.955  3.0125  22.750  2.9546  3.205359       4.219563 
1 1 1 14  -10 21 o 127.381 2.7800  2186.53   94.797    2162.08   135.950   2209.68   132.252   126.673 4.0069  128.089 3.8548  -1.415733      5.560089 
1 1 1 14  -10 22 o 84.572  2.1908  959.744   49.570    1016.07   72.129    909.336   68.237    86.918  3.0982  82.226  3.0983  4.691628       4.381609 
1 1 1 14  -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -10 24 o 56.049  1.9806  421.072   29.586    451.084   44.132    396.574   39.872    57.884  2.8465  54.214  2.7549  3.669758       3.961290 
1 1 1 14  -10 25 o 46.031  1.9938  288.174   24.222    274.123   36.368    299.376   32.472    44.977  3.0366  47.085  2.5846  -2.108028      3.987633 
1 1 1 14  -10 26 o 123.504 2.7920  2075.25   92.240    2048.43   133.408   2099.82   127.674   122.686 4.0598  124.322 3.8341  -1.636543      5.584097 
1 1 1 14  -10 27 o 29.524  2.2807  127.341   16.417    88.367    25.359    155.458   21.539    25.179  3.8853  33.870  2.3896  -8.691267      4.561312 
1 1 1 14  -10 28 o 61.498  2.1334  522.912   34.391    453.714   51.559    578.376   46.160    57.623  3.3551  65.373  2.6362  -7.750484      4.266890 
1 1 1 14  -10 29 o 92.004  2.3610  1152.80   58.039    1214.12   85.809    1101.08   78.797    94.217  3.4003  89.791  3.2763  4.425903       4.721901 
1 1 1 14  -10 30 o 44.390  2.0205  264.408   23.633    306.322   36.915    235.301   30.763    47.301  2.9281  41.479  2.7850  5.821846       4.041061 
1 1 1 14  -10 31 o 26.001  2.4277  96.136    15.846    88.396    25.459    101.030   20.245    24.945  3.9414  27.057  2.8356  -2.112753      4.855446 
1 1 1 14  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -10 33 o 31.566  2.2875  138.406   18.632    144.013   29.857    134.830   23.845    31.956  3.5481  31.176  2.8883  0.7802296      4.575084 
1 1 1 14  -10 34 o 20.849  2.7806  61.263    14.601    73.762    24.049    53.966    18.375    22.418  4.1583  19.280  3.6927  3.137770       5.561227 
1 1 1 14  -10 35 o 13.640  3.1162  27.490    12.885    21.657    21.928    30.566    15.923    12.944  4.7822  14.336  3.9968  -1.391693      6.232482 
1 1 1 14  -10 36 o 19.484  3.1694  62.541    15.904    44.129    27.080    72.236    19.650    16.677  5.3505  22.291  3.3988  -5.613674      6.338731 
1 1 1 14  -10 37 o 28.222  2.9029  124.378   19.630    107.753   33.234    133.286   24.327    25.972  4.9583  30.472  3.0203  -4.500658      5.805767 
1 1 1 14  -10 38 o 7.6069  2.4948  -6.1191   10.170    -13.6011  22.232    -4.1391   11.437    8.5264  3.9749  6.6873  3.0161  1.839082       4.989665 
1 1 1 14  -10 39 o 17.573  3.3956  53.173    15.827    49.544    29.023    54.709    18.882    16.528  5.5520  18.618  3.9109  -2.089663      6.791196 
1 1 1 14  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -10 41 f 16.686  3.6388  45.481    16.420    69.736    31.459    36.399    19.250    18.841  5.7266  14.532  4.4911  4.308999       7.277673 
1 1 1 14  -10 42 o 15.799  3.4213  49.944    16.948    29.430    31.770    58.105    20.038    13.049  5.4493  18.548  4.1384  -5.499105      6.842581 
1 1 1 14  -10 43 o 7.4112  2.4484  -11.2415  12.832    -52.4484  25.636    2.5336    14.822    6.7341  3.3704  8.0884  3.5525  -1.354352      4.896879 
1 1 1 14  -9  0  o 211.953 4.0716  6042.33   231.130   6145.86   327.418   5939.49   326.319   213.769 5.7183  210.137 5.7976  3.632065       8.143202 
1 1 1 14  -9  1  o 217.994 4.1511  6392.31   242.380   6424.26   343.077   6360.46   342.478   218.539 5.8610  217.448 5.8801  1.091110       8.302267 
1 1 1 14  -9  2  o 89.897  2.1460  1083.59   51.671    1076.59   73.061    1090.59   73.088    89.606  3.0441  90.187  3.0256  -0.5812073     4.291933 
1 1 1 14  -9  3  o 113.528 2.4858  1729.58   75.542    1659.61   106.829   1799.56   106.837   111.227 3.5858  115.830 3.4436  -4.602394      4.971573 
1 1 1 14  -9  4  o 146.522 3.0070  2883.17   117.962   2799.12   167.267   2966.33   166.383   144.391 4.3250  148.653 4.1788  -4.262466      6.013914 
1 1 1 14  -9  5  o 100.082 2.3210  1343.19   62.213    1366.73   88.679    1320.38   87.302    100.946 3.2798  99.219  3.2850  1.726624       4.642008 
1 1 1 14  -9  6  o 199.874 3.8897  5373.64   208.223   5468.37   295.256   5279.91   293.693   201.632 5.4670  198.116 5.5346  3.515442       7.779441 
1 1 1 14  -9  7  o 260.854 4.9711  9181.91   347.317   9284.84   491.844   9079.54   490.519   262.321 7.0001  259.388 7.0602  2.933105       9.942238 
1 1 1 14  -9  8  o 83.487  2.0830  935.867   46.525    896.874   66.406    973.460   65.202    81.773  3.0318  85.200  2.8572  -3.427002      4.165988 
1 1 1 14  -9  9  o 266.248 5.0256  9577.84   358.388   9511.98   507.476   9643.36   506.199   265.324 7.1408  267.172 7.0736  -1.848236      10.05125 
1 1 1 14  -9  10 o 72.631  1.9022  706.877   36.991    731.806   53.163    683.480   51.503    73.871  2.6868  71.390  2.6934  2.480972       3.804420 
1 1 1 14  -9  11 f 121.507 2.6610  1982.73   86.601    1991.08   123.112   1974.56   121.842   121.759 3.7750  121.255 3.7515  0.5040970      5.322055 
1 1 1 14  -9  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -9  13 o 215.368 4.1623  6259.20   240.021   6488.38   341.640   6035.83   337.284   219.280 5.8168  211.456 5.9551  7.823517       8.324521 
1 1 1 14  -9  14 o 76.137  2.0430  782.791   41.398    709.614   60.010    849.238   57.184    72.710  3.0814  79.564  2.6833  -6.853783      4.085951 
1 1 1 14  -9  15 o 44.720  1.8077  273.358   21.205    229.572   31.141    311.208   28.954    41.265  2.8347  48.175  2.2438  -6.910587      3.615322 
1 1 1 14  -9  16 o 138.425 2.9027  2576.94   107.606   2606.99   153.813   2548.12   150.592   139.212 4.1250  137.637 4.0849  1.574860       5.805350 
1 1 1 14  -9  17 o 26.190  1.9813  92.166    13.607    102.608   20.587    84.065    18.133    27.505  2.8351  24.875  2.7685  2.629221       3.962601 
1 1 1 14  -9  18 o 19.817  2.4783  56.104    12.392    43.039    18.544    66.644    16.656    17.539  4.0318  22.096  2.8830  -4.556822      4.956502 
1 1 1 14  -9  19 o 212.779 4.2119  6132.49   239.845   5888.79   340.797   6371.65   337.610   208.532 6.1015  217.026 5.8079  -8.493637      8.423722 
1 1 1 14  -9  20 o 45.186  1.8818  271.928   22.498    323.703   33.706    230.324   30.214    49.043  2.5749  41.329  2.7450  7.713982       3.763631 
1 1 1 14  -9  21 o 71.998  2.0872  700.010   40.027    651.747   58.443    742.652   54.934    69.634  3.1334  74.362  2.7581  -4.728142      4.174368 
1 1 1 14  -9  22 o 101.336 2.3915  1378.10   64.655    1559.62   94.008    1215.17   89.064    107.667 3.2598  95.004  3.5000  12.66325       4.782935 
1 1 1 14  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -9  24 o 78.292  2.1871  825.441   45.750    832.646   67.240    819.230   62.429    78.594  3.1941  77.990  2.9885  0.6042938      4.374173 
1 1 1 14  -9  25 o 97.633  2.4190  1287.42   63.156    1303.13   92.222    1273.54   86.669    98.171  3.5072  97.095  3.3325  1.075966       4.838015 
1 1 1 14  -9  26 o 65.030  2.0753  572.265   35.928    559.843   53.534    582.446   48.463    64.354  3.1057  65.706  2.7537  -1.351524      4.150691 
1 1 1 14  -9  27 o 80.146  2.2234  870.150   47.550    875.359   70.446    865.791   64.446    80.326  3.2743  79.966  3.0089  0.3602524      4.446809 
1 1 1 14  -9  28 o 61.446  2.0244  505.588   33.112    577.671   50.202    450.080   44.054    65.273  2.8715  57.619  2.8545  7.653408       4.048869 
1 1 1 14  -9  29 o 35.343  2.0424  165.016   18.821    210.645   29.986    135.354   24.177    39.264  2.8711  31.422  2.9055  7.842592       4.084775 
1 1 1 14  -9  30 o 49.368  2.1226  339.165   27.301    301.194   41.871    367.248   36.008    46.743  3.3668  51.992  2.5857  -5.249367      4.245140 
1 1 1 14  -9  31 o 32.709  2.3173  153.862   19.031    125.324   29.920    173.253   24.664    29.837  3.8323  35.580  2.6061  -5.742464      4.634507 
1 1 1 14  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -9  33 o 16.955  2.8691  46.759    13.502    19.889    22.461    61.963    16.896    12.938  4.8281  20.972  3.1013  -8.034062      5.738295 
1 1 1 14  -9  34 o 26.525  2.5812  103.131   16.945    91.344    27.518    110.330   21.507    24.948  4.2717  28.102  2.8989  -3.154087      5.162453 
1 1 1 14  -9  35 o 34.457  2.4405  170.816   21.244    163.947   34.934    174.847   26.761    33.566  3.9620  35.347  2.8508  -1.781242      4.881052 
1 1 1 14  -9  36 o 18.698  3.1476  48.434    14.863    74.382    26.637    36.701    17.911    21.897  4.6833  15.499  4.2067  6.397664       6.295214 
1 1 1 14  -9  37 f 26.932  2.7516  105.762   18.499    120.381   31.513    98.077    22.850    27.983  4.3454  25.881  3.3767  2.101774       5.503144 
1 1 1 14  -9  38 o 8.2146  2.6091  -3.7159   10.187    4.0630    20.798    -6.1713   11.685    9.9187  4.2836  6.5106  2.9800  3.408101       5.218230 
1 1 1 14  -9  39 o 13.140  3.3182  23.352    13.973    42.038    25.391    15.235    16.734    15.528  5.1932  10.752  4.1318  4.776989       6.636315 
1 1 1 14  -9  40 o 23.198  3.6468  83.564    21.912    0.0000    0.0000    83.564    21.912    ?       ?       23.198  3.6468  ?              ?        
1 1 1 14  -9  41 o 22.022  3.4205  88.121    18.739    74.399    32.864    94.733    22.811    19.368  5.8455  24.676  3.5537  -5.307625      6.841007 
1 1 1 14  -9  42 o 14.972  3.5797  31.154    16.232    76.608    31.833    15.184    18.869    19.346  5.7339  10.597  4.2869  8.748610       7.159311 
1 1 1 14  -9  43 o 14.536  3.2073  44.635    16.944    7.1440    31.640    59.710    20.064    10.636  4.8813  18.436  4.1618  -7.799491      6.414611 
1 1 1 14  -8  0  o 166.016 3.2993  3700.45   146.695   3648.54   207.736   3752.09   207.181   164.852 4.7047  167.181 4.6267  -2.329880      6.598518 
1 1 1 14  -8  1  o 147.907 2.9208  2935.48   115.698   2990.45   163.774   2880.71   163.470   149.292 4.0956  146.522 4.1653  2.769348       5.841554 
1 1 1 14  -8  2  o 226.791 4.2644  6916.25   259.043   6953.48   366.401   6879.04   366.284   227.404 6.0155  226.178 6.0461  1.225067       8.528875 
1 1 1 14  -8  3  o 241.472 4.6011  7846.63   297.588   7868.85   421.628   7824.57   420.082   241.812 6.5097  241.132 6.5042  0.6802521      9.202192 
1 1 1 14  -8  4  o 136.815 2.8838  2512.82   105.633   2462.71   150.628   2561.31   148.179   135.467 4.1513  138.162 4.0041  -2.694946      5.767678 
1 1 1 14  -8  5  o 214.692 4.1765  6199.74   240.170   6206.48   340.303   6193.05   339.003   214.807 5.9146  214.577 5.8984  0.2300110      8.353067 
1 1 1 14  -8  6  o 94.338  2.1957  1193.85   55.459    1165.75   78.854    1221.36   78.015    93.237  3.1575  95.439  3.0519  -2.202263      4.391328 
1 1 1 14  -8  7  o 129.655 2.6931  2255.78   93.522    2288.08   132.834   2224.03   131.693   130.576 3.7980  128.734 3.8193  1.842239       5.386267 
1 1 1 14  -8  8  o 103.672 2.3177  1441.47   64.354    1467.48   91.709    1416.24   90.326    104.593 3.2736  102.751 3.2820  1.842873       4.635500 
1 1 1 14  -8  9  o 212.257 4.1139  6067.71   233.828   6240.91   331.390   5895.97   329.979   215.288 5.7469  209.225 5.8882  6.062210       8.227844 
1 1 1 14  -8  10 o 266.341 5.0399  9585.03   359.508   9761.91   510.941   9411.59   505.939   268.784 7.0970  263.897 7.1577  4.886963       10.07973 
1 1 1 14  -8  11 o 223.369 4.3396  6735.98   259.378   6440.97   368.639   7025.22   365.018   218.478 6.2995  228.259 5.9703  -9.781189      8.679167 
1 1 1 14  -8  12 f 87.562  2.6963  1046.96   59.567    1081.58   73.742    981.941   101.049   89.781  3.0665  85.343  4.4359  4.438461       5.392590 
1 1 1 14  -8  13 o 225.400 8.7252  6916.48   526.763   0.0000    0.0000    6916.48   526.763   ?       ?       225.400 8.7252  ?              ?        
1 1 1 14  -8  14 o 176.253 3.4934  4183.77   164.789   4407.27   234.585   3966.03   231.539   180.919 4.8409  171.586 5.0379  9.333679       6.986786 
1 1 1 14  -8  15 o 36.851  1.7460  182.525   17.100    189.429   25.141    176.582   23.328    37.496  2.5179  36.205  2.4195  1.291035       3.491949 
1 1 1 14  -8  16 o 183.887 3.6923  4563.05   181.736   4406.93   258.370   4715.93   255.679   180.743 5.3369  187.030 5.1038  -6.287094      7.384552 
1 1 1 14  -8  17 f 109.400 2.4944  1607.51   73.067    1631.59   104.998   1584.91   101.742   110.191 3.5575  108.609 3.4974  1.581841       4.988786 
1 1 1 14  -8  18 o 112.011 2.5770  1692.08   77.054    1570.69   110.668   1806.30   107.350   108.078 3.8229  115.944 3.4567  -7.865501      5.154006 
1 1 1 14  -8  19 o 68.803  2.1133  645.664   38.281    540.320   55.641    740.345   52.749    63.332  3.2914  74.274  2.6515  -10.94208      4.226523 
1 1 1 14  -8  20 o 51.379  1.9851  362.070   26.683    300.196   39.368    414.649   36.291    47.167  3.1339  55.590  2.4373  -8.422581      3.970157 
1 1 1 14  -8  21 o 58.622  1.9766  462.911   30.834    453.415   45.604    470.908   41.850    58.020  2.9441  59.223  2.6383  -1.202351      3.953251 
1 1 1 14  -8  22 o 115.041 2.5975  1779.26   79.941    1906.19   115.669   1663.19   110.609   118.969 3.6299  111.113 3.7165  7.856674       5.195069 
1 1 1 14  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -8  24 o 10.123  2.7607  8.0018    10.386    13.879    16.938    4.4601    13.149    11.399  4.2046  8.8471  3.5788  2.551879       5.521425 
1 1 1 14  -8  25 o 31.733  2.0918  136.762   17.388    138.168   26.625    135.717   22.960    31.842  3.1636  31.625  2.7375  0.2173786      4.183614 
1 1 1 14  -8  26 o 63.837  2.0539  548.500   34.965    568.206   52.313    532.589   47.008    64.850  3.0117  62.823  2.7936  2.026951       4.107843 
1 1 1 14  -8  27 o 49.246  2.0506  332.921   26.496    301.834   40.153    356.898   35.264    47.074  3.2036  51.417  2.5606  -4.342777      4.101165 
1 1 1 14  -8  28 o 62.394  2.0962  528.768   34.717    530.552   52.334    527.366   46.396    62.400  3.1412  62.388  2.7765  0.1224518E-01  4.192389 
1 1 1 14  -8  29 o 38.350  2.0533  198.343   20.660    217.721   32.472    185.164   26.779    39.866  3.0645  36.834  2.7338  3.031872       4.106650 
1 1 1 14  -8  30 o 46.844  2.0770  299.927   25.614    303.816   39.488    297.103   33.654    47.029  3.1531  46.659  2.7045  0.3698158      4.154053 
1 1 1 14  -8  31 o 8.9799  2.6283  4.2550    9.8188    -1.1765   18.058    6.5350    11.700    9.2075  3.9840  8.7522  3.4293  0.4553308      5.256646 
1 1 1 14  -8  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -8  33 o 76.620  2.3679  819.727   48.038    786.919   72.736    845.108   63.976    75.019  3.6198  78.221  3.0536  -3.201599      4.735734 
1 1 1 14  -8  34 o 34.836  2.3165  168.763   20.845    180.338   33.740    161.617   26.510    35.633  3.5837  34.039  2.9364  1.594395       4.633059 
1 1 1 14  -8  35 o 11.466  3.0326  13.825    11.954    23.907    21.066    9.0359    14.518    13.220  4.7146  9.7125  3.8157  3.507849       6.065219 
1 1 1 14  -8  36 o 21.115  3.1543  80.658    17.030    35.146    29.779    102.776   20.760    15.335  5.5874  26.896  2.9290  -11.56078      6.308632 
1 1 1 14  -8  37 o 29.864  2.7007  131.487   20.195    139.437   33.994    127.150   25.105    30.124  4.3381  29.603  3.2181  0.5211620      5.401402 
1 1 1 14  -8  38 o 34.214  2.6789  180.001   22.765    165.023   37.477    188.759   28.658    32.333  4.4450  36.094  2.9913  -3.760719      5.357761 
1 1 1 14  -8  39 o 20.809  5.5365  77.985    31.398    77.985    31.398    0.0000    0.0000    20.809  5.5365  ?       ?       ?              ?        
1 1 1 14  -8  40 o 13.425  3.4167  23.511    14.540    49.616    27.951    13.825    17.025    16.388  5.4477  10.462  4.1251  5.925828       6.833323 
1 1 1 14  -8  41 o 15.872  3.3467  48.664    16.702    23.437    30.993    58.989    19.828    12.728  5.3529  19.017  4.0185  -6.289148      6.693446 
1 1 1 14  -8  42 o 10.575  3.2214  9.8564    14.530    22.112    29.136    5.7995    16.764    12.146  5.1534  9.0037  3.8668  3.141999       6.442811 
1 1 1 14  -8  43 o 13.422  3.2040  37.200    17.026    -5.5047   33.544    52.021    19.761    9.9454  4.7123  16.898  4.3426  -6.952287      6.408090 
1 1 1 14  -7  0  o 41.035  1.5487  226.271   16.956    220.114   23.923    232.487   24.037    40.471  2.2153  41.599  2.1648  -1.128231      3.097426 
1 1 1 14  -7  1  o 365.938 6.7110  18091.57  657.728   17826.42  930.054   18356.86  930.281   363.232 9.5595  368.643 9.4215  -5.411011      13.42192 
1 1 1 14  -7  2  o 49.515  1.7006  330.277   22.413    300.937   32.072    358.285   31.336    47.320  2.5397  51.710  2.2624  -4.389950      3.401250 
1 1 1 14  -7  3  o 165.947 3.3465  3696.49   148.736   3692.48   211.473   3700.41   209.234   165.855 4.7603  166.038 4.7047  -0.1824493     6.692922 
1 1 1 14  -7  4  o 166.882 3.4152  3742.24   152.505   3571.17   216.528   3910.64   214.832   163.083 4.9570  170.681 4.6992  -7.597839      6.830388 
1 1 1 14  -7  5  o 36.692  1.6113  181.049   15.743    191.525   22.480    170.967   22.054    37.740  2.2338  35.643  2.3227  2.096973       3.222537 
1 1 1 14  -7  6  o 86.951  2.5626  1050.07   56.130    1133.93   70.369    903.406   93.064    91.970  2.8566  81.932  4.2554  10.03856       5.125262 
1 1 1 14  -7  7  o 13.470  1.8097  25.733    6.1621    21.924    9.5886    28.413    8.0428    12.537  2.9112  14.403  2.1507  -1.865728      3.619465 
1 1 1 14  -7  8  o 12.740  1.7467  21.454    5.6822    31.666    9.0034    14.694    7.3253    15.203  2.2814  10.277  2.6455  4.926426       3.493377 
1 1 1 14  -7  9  o 177.172 3.5026  4219.56   166.199   4244.81   237.053   4195.15   233.081   177.689 4.9807  176.654 4.9260  1.034988       7.005224 
1 1 1 14  -7  10 f 121.607 2.6719  1993.37   86.648    1805.85   123.829   2173.28   121.288   115.964 3.9867  127.251 3.5585  -11.28671      5.343824 
1 1 1 14  -7  11 o 53.827  1.7627  387.882   25.260    440.103   36.717    340.954   34.806    57.295  2.3925  50.359  2.5892  6.936127       3.525336 
1 1 1 14  -7  12 o 49.627  1.7418  329.786   23.037    367.583   33.464    295.736   31.762    52.360  2.3861  46.894  2.5382  5.466976       3.483650 
1 1 1 14  -7  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -7  14 o 202.801 3.9970  5548.82   217.075   5468.17   308.388   5628.02   305.613   201.323 5.7189  204.279 5.5855  -2.955994      7.993962 
1 1 1 14  -7  15 o 122.156 2.6923  2006.35   88.036    1969.69   125.984   2041.34   123.070   121.056 3.8854  123.256 3.7278  -2.199913      5.384536 
1 1 1 14  -7  16 o 169.140 3.4435  3856.08   155.926   3764.27   222.191   3945.17   218.871   167.136 4.9633  171.144 4.7746  -4.008163      6.887003 
1 1 1 14  -7  17 o 290.376 5.5535  11474.44  431.927   11530.06  612.856   11419.54  608.838   291.071 7.8609  289.681 7.8468  1.390106       11.10701 
1 1 1 14  -7  18 o 89.859  2.3040  1090.22   55.161    994.864   79.678    1177.98   76.441    86.049  3.4570  93.668  3.0468  -7.619026      4.608030 
1 1 1 14  -7  19 o 70.094  2.1548  670.736   39.726    556.497   57.724    773.523   54.755    64.269  3.3650  75.919  2.6927  -11.65004      4.309683 
1 1 1 14  -7  20 o 156.998 3.2370  3321.71   136.092   3393.96   194.852   3252.89   190.161   158.663 4.5850  155.333 4.5705  3.329208       6.473958 
1 1 1 14  -7  21 o 71.348  2.0773  682.278   39.628    709.815   58.159    658.414   54.142    72.685  2.9874  70.011  2.8872  2.673744       4.154562 
1 1 1 14  -7  22 o 82.050  2.2022  903.157   48.324    944.955   70.758    866.619   66.156    83.821  3.1516  80.280  3.0766  3.541481       4.404345 
1 1 1 14  -7  23 o 40.895  3.4838  227.007   37.796    0.0000    0.0000    227.007   37.796    ?       ?       40.895  3.4838  ?              ?        
1 1 1 14  -7  24 o 106.657 2.5940  1542.00   73.817    1456.14   107.262   1619.24   101.743   103.778 3.8588  109.536 3.4679  -5.757629      5.188093 
1 1 1 14  -7  25 o 34.620  2.0116  158.032   18.188    202.079   28.416    127.459   23.673    38.630  2.7645  30.610  2.9230  8.020729       4.023240 
1 1 1 14  -7  26 o 66.155  2.1211  593.428   37.310    572.664   55.687    610.343   50.259    65.062  3.1955  67.248  2.7903  -2.186646      4.242264 
1 1 1 14  -7  27 o 39.517  2.0144  211.167   20.908    219.394   32.505    205.361   27.308    40.131  3.0467  38.903  2.6362  1.227806       4.028892 
1 1 1 14  -7  28 o 69.929  2.1419  659.833   39.924    707.252   60.156    622.503   53.373    72.132  3.1135  67.726  2.9422  4.406158       4.283795 
1 1 1 14  -7  29 o 40.486  2.0394  219.904   21.708    250.541   34.063    198.953   28.169    42.798  2.9903  38.174  2.7739  4.624249       4.078755 
1 1 1 14  -7  30 o 28.438  2.3882  116.606   16.916    94.858    26.624    131.331   21.906    25.909  3.9624  30.967  2.6671  -5.058018      4.776361 
1 1 1 14  -7  31 o 50.437  2.6844  351.110   34.887    340.529   43.971    369.088   57.316    49.645  3.3260  51.229  4.2145  -1.583401      5.368801 
1 1 1 14  -7  32 o 22.276  2.8063  75.384    15.124    57.954    25.188    85.210    18.912    19.785  4.8017  24.767  2.9061  -4.982557      5.612655 
1 1 1 14  -7  33 o 28.785  2.4118  116.152   17.580    119.120   28.976    114.422   22.116    28.891  3.8396  28.679  2.9197  0.2114697      4.823609 
1 1 1 14  -7  34 o 9.5374  2.6211  7.0197    10.754    -19.8090  20.741    16.885    12.577    7.9861  3.7601  11.089  3.6528  -3.102683      5.242282 
1 1 1 14  -7  35 o 11.658  2.6672  17.950    11.815    -14.2810  21.126    32.620    14.252    8.4631  3.9213  14.852  3.6164  -6.388768      5.334319 
1 1 1 14  -7  36 o 25.256  2.8852  94.379    17.913    99.493    30.698    91.739    22.058    25.356  4.6929  25.155  3.3576  0.2006721      5.770338 
1 1 1 14  -7  37 o 32.089  2.6411  151.660   21.188    158.598   35.942    147.964   26.231    32.160  4.2786  32.017  3.0974  0.1431427      5.282109 
1 1 1 14  -7  38 o 23.791  3.1942  93.089    18.263    83.049    31.914    97.978    22.270    21.875  5.4633  25.707  3.3113  -3.832563      6.388419 
1 1 1 14  -7  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -7  40 o 12.423  3.3064  15.573    13.835    45.704    27.412    5.2751    16.025    15.829  5.3954  9.0168  3.8237  6.812600       6.612889 
1 1 1 14  -7  41 o 10.720  3.2058  8.9421    14.042    25.034    27.773    3.4159    16.275    12.711  5.1793  8.7281  3.7794  3.983040       6.411627 
1 1 1 14  -7  42 o 25.839  3.4191  112.108   21.270    143.836   39.038    98.712    25.366    27.305  5.5273  24.373  4.0260  2.932009       6.838165 
1 1 1 14  -7  43 o 22.274  3.7094  85.958    20.186    147.755   38.952    63.269    23.602    26.535  5.6535  18.014  4.8037  8.521324       7.418734 
1 1 1 14  -6  0  o 217.238 4.9329  6262.59   272.242   6088.66   333.398   6610.63   471.622   212.907 5.8463  221.569 7.9469  -8.662033      9.865705 
1 1 1 14  -6  1  o 113.171 3.5717  1717.16   108.267   1717.16   108.267   0.0000    0.0000    113.171 3.5717  ?       ?       ?              ?        
1 1 1 14  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -6  4  o 80.872  2.6284  902.870   53.342    956.756   66.232    803.389   89.991    84.487  2.9268  77.257  4.3667  7.229492       5.256804 
1 1 1 14  -6  5  o 142.582 2.9058  2729.72   110.490   3067.42   158.107   2407.38   154.470   151.220 3.9035  133.943 4.3056  17.27695       5.811659 
1 1 1 14  -6  6  o 94.605  2.1612  1197.62   54.697    1284.04   79.152    1118.63   75.672    97.866  3.0195  91.343  3.0929  6.522980       4.322463 
1 1 1 14  -6  7  o 100.155 2.2521  1342.86   60.355    1428.33   87.238    1264.39   83.588    103.208 3.1558  97.102  3.2138  6.105621       4.504172 
1 1 1 14  -6  8  o 268.787 5.0849  9744.14   366.044   9940.05   519.370   9550.79   515.977   271.484 7.1424  266.090 7.2396  5.394226       10.16981 
1 1 1 14  -6  9  o 155.552 3.1586  3249.92   131.534   3391.89   187.230   3111.56   184.828   158.913 4.3987  152.191 4.5341  6.722305       6.317193 
1 1 1 14  -6  10 o 131.107 2.7936  2308.68   98.073    2266.48   139.548   2349.86   137.859   129.918 4.0102  132.296 3.8904  -2.378632      5.587252 
1 1 1 14  -6  11 o 155.402 3.1992  3249.62   133.007   3090.80   189.033   3405.35   187.181   151.620 4.6547  159.183 4.3901  -7.562546      6.398384 
1 1 1 14  -6  12 o 183.089 3.6412  4512.04   178.550   4595.66   253.864   4430.17   251.174   184.772 5.1295  181.407 5.1693  3.364609       7.282413 
1 1 1 14  -6  13 o 45.483  2.4743  279.698   29.734    276.375   44.360    282.409   40.067    45.214  3.6953  45.752  3.2915  -0.5378990     4.948652 
1 1 1 14  -6  14 o 102.285 2.4069  1405.48   65.891    1382.55   94.565    1427.13   91.862    101.467 3.4795  103.102 3.3264  -1.634834      4.813730 
1 1 1 14  -6  15 o 221.410 4.3104  6622.18   255.609   6730.05   363.272   6516.41   359.724   223.202 6.0764  219.618 6.1152  3.583511       8.620809 
1 1 1 14  -6  16 o 63.888  1.9506  545.799   33.318    590.902   48.685    506.065   45.696    66.363  2.7389  61.413  2.7780  4.950069       3.901132 
1 1 1 14  -6  17 o 146.071 3.0628  2869.66   119.771   3002.03   171.471   2743.56   167.368   149.365 4.2860  142.776 4.3765  6.589050       6.125653 
1 1 1 14  -6  18 o 111.707 2.6056  1681.34   77.766    1592.57   111.948   1764.12   108.107   108.833 3.8403  114.581 3.5225  -5.747696      5.211165 
1 1 1 14  -6  19 o 99.376  2.3902  1324.62   63.566    1389.72   92.170    1265.58   87.783    101.700 3.3836  97.052  3.3769  4.647926       4.780398 
1 1 1 14  -6  20 o 132.076 2.8832  2348.61   101.940   2346.31   146.599   2350.77   141.849   132.001 4.1463  132.150 4.0075  -0.1489716     5.766439 
1 1 1 14  -6  21 o 140.750 3.0598  2674.75   115.192   2581.67   165.432   2762.36   160.492   138.339 4.4646  143.161 4.1854  -4.822174      6.119699 
1 1 1 14  -6  22 o 65.711  4.4599  585.923   78.033    585.923   78.033    0.0000    0.0000    65.711  4.4599  ?       ?       ?              ?        
1 1 1 14  -6  23 o 64.535  2.1188  566.143   36.179    516.242   53.577    607.969   49.051    61.828  3.2466  67.243  2.7234  -5.415314      4.237616 
1 1 1 14  -6  24 o 102.663 2.4935  1420.81   68.478    1465.98   99.964    1380.88   93.996    104.184 3.5822  101.142 3.4697  3.042946       4.987088 
1 1 1 14  -6  25 o 10.574  2.3214  12.261    9.4280    -14.4662  15.682    27.387    11.798    7.1822  3.3450  13.966  3.2199  -6.783637      4.642889 
1 1 1 14  -6  26 o 63.487  2.0810  542.230   35.173    565.420   53.172    524.188   46.901    64.664  3.0700  62.310  2.8102  2.353806       4.161965 
1 1 1 14  -6  27 o 16.206  2.6233  41.680    11.520    17.092    19.023    55.921    14.477    12.258  4.4658  20.155  2.7538  -7.897138      5.246559 
1 1 1 14  -6  28 o 32.994  2.1173  149.279   18.113    147.742   28.563    150.313   23.426    32.775  3.2984  33.214  2.6555  -0.4383812     4.234504 
1 1 1 14  -6  29 o 110.904 2.6964  1691.77   79.899    1706.70   117.395   1678.88   109.054   111.260 3.9393  110.548 3.6830  0.7112427      5.392852 
1 1 1 14  -6  30 o 47.571  2.1148  309.748   26.425    312.636   41.021    307.699   34.549    47.670  3.2318  47.471  2.7286  0.1983719      4.229661 
1 1 1 14  -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -6  32 o 19.200  2.8675  52.402    13.744    57.173    23.389    49.885    16.987    19.717  4.5247  18.684  3.5236  1.033184       5.734904 
1 1 1 14  -6  33 o 14.771  2.8729  34.479    12.459    14.000    21.735    44.502    15.205    11.919  4.6731  17.624  3.3433  -5.705050      5.745898 
1 1 1 14  -6  34 o 17.931  2.8390  55.681    14.840    10.347    24.671    81.383    18.576    11.809  4.8545  24.053  2.9449  -12.24403      5.677930 
1 1 1 14  -6  35 o 29.861  2.5254  121.880   19.179    158.095   32.430    102.399   23.785    33.031  3.7308  26.691  3.4045  6.340115       5.050727 
1 1 1 14  -6  36 o 14.287  3.3043  30.909    14.007    29.463    25.211    31.554    16.847    14.198  5.1459  14.376  4.1464  -0.1779747     6.608545 
1 1 1 14  -6  37 o 16.016  3.2197  43.639    14.725    27.692    26.798    50.537    17.625    13.797  5.2461  18.234  3.7343  -4.437543      6.439419 
1 1 1 14  -6  38 o 36.000  2.6033  182.773   23.736    244.072   41.391    152.736   28.974    39.969  3.9166  32.031  3.4305  7.937870       5.206500 
1 1 1 14  -6  39 o 7.3932  3.3338  -3.9729   13.966    0.0000    0.0000    -3.9729   13.966    ?       ?       7.3932  3.3338  ?              ?        
1 1 1 14  -6  40 o 10.568  3.1508  4.7775    13.284    27.879    27.336    -2.3639   15.199    13.280  5.2300  7.8564  3.5154  5.423839       6.301656 
1 1 1 14  -6  41 o 11.920  3.4124  13.541    15.121    42.030    30.334    4.1213    17.443    14.821  5.5944  9.0191  3.9090  5.801643       6.824769 
1 1 1 14  -6  42 f 16.376  3.5071  56.502    18.234    32.722    34.146    65.989    21.567    13.196  5.5879  19.556  4.2397  -6.359436      7.014256 
1 1 1 14  -5  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -5  5  o 154.402 3.1108  3205.03   128.391   3006.64   183.033   3397.21   180.145   149.678 4.5655  159.127 4.2266  -9.448776      6.221525 
1 1 1 14  -5  6  o 97.283  2.3082  1284.15   59.336    1064.32   85.169    1491.47   82.712    89.085  3.5694  105.481 2.9276  -16.39594      4.616380 
1 1 1 14  -5  7  o 124.956 2.6697  2094.32   89.328    2163.77   127.222   2026.79   125.453   127.001 3.7400  122.911 3.8107  4.089745       5.339340 
1 1 1 14  -5  8  o 140.921 2.9352  2665.85   110.730   2782.64   157.365   2551.32   155.836   143.984 4.0804  137.858 4.2203  6.125259       5.870376 
1 1 1 14  -5  9  o 236.454 4.5412  7533.63   287.561   7721.88   407.832   7347.51   405.525   239.406 6.3600  233.503 6.4839  5.902786       9.082440 
1 1 1 14  -5  10 o 108.544 2.4613  1580.59   71.547    1606.16   102.234   1556.05   100.164   109.404 3.4888  107.685 3.4727  1.719208       4.922522 
1 1 1 14  -5  11 o 64.197  1.9176  554.055   32.889    524.895   47.388    581.154   45.683    62.560  2.8280  65.835  2.5906  -3.274891      3.835246 
1 1 1 14  -5  12 o 79.166  4.2921  844.767   90.671    844.767   90.671    0.0000    0.0000    79.166  4.2921  ?       ?       ?              ?        
1 1 1 14  -5  13 o 52.602  1.8751  376.372   26.004    319.171   37.707    428.246   35.908    48.689  2.9046  56.515  2.3721  -7.825619      3.750147 
1 1 1 14  -5  14 o 110.793 2.5292  1648.91   75.016    1636.88   107.633   1660.28   104.609   110.394 3.6401  111.191 3.5124  -0.7974243     5.058410 
1 1 1 14  -5  15 o 34.739  1.9682  170.404   17.192    116.409   25.193    217.458   23.518    29.265  3.2699  40.213  2.1917  -10.94831      3.936473 
1 1 1 14  -5  16 o 68.985  2.0084  636.600   37.053    680.901   54.165    597.637   50.798    71.233  2.8389  66.736  2.8418  4.497475       4.016864 
1 1 1 14  -5  17 o 95.748  2.3729  1232.10   60.776    1214.51   87.876    1248.23   84.147    95.085  3.4504  96.412  3.2585  -1.326820      4.745844 
1 1 1 14  -5  18 o 100.075 2.4193  1345.06   64.788    1354.02   93.826    1336.89   89.571    100.387 3.4894  99.763  3.3521  0.6245270      4.838640 
1 1 1 14  -5  19 o 80.447  2.1858  868.961   47.011    871.459   68.658    866.757   64.502    80.549  3.1823  80.345  2.9973  0.2043991      4.371585 
1 1 1 14  -5  20 o 41.881  1.9149  234.334   21.269    262.024   31.895    212.162   28.541    44.097  2.7135  39.664  2.7026  4.433445       3.829756 
1 1 1 14  -5  21 o 163.333 3.4315  3610.00   149.875   3443.37   214.588   3768.70   209.417   159.597 5.0199  167.068 4.6798  -7.471344      6.862922 
1 1 1 14  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -5  23 o 42.117  2.0012  235.198   22.139    296.225   33.760    189.155   29.324    46.858  2.7013  37.376  2.9532  9.482178       4.002314 
1 1 1 14  -5  24 o 58.371  2.1133  465.183   32.506    418.508   48.556    503.089   43.757    55.602  3.2748  61.141  2.6720  -5.538410      4.226550 
1 1 1 14  -5  25 o 107.111 2.5536  1549.38   73.149    1632.94   107.141   1476.43   100.114   109.798 3.6431  104.424 3.5793  5.373734       5.107253 
1 1 1 14  -5  26 o 44.214  2.0683  269.451   23.857    240.429   36.327    291.461   31.636    42.009  3.2538  46.419  2.5543  -4.409534      4.136638 
1 1 1 14  -5  27 o 45.825  2.1269  293.505   25.172    243.393   38.305    331.593   33.395    42.167  3.4210  49.483  2.5281  -7.316299      4.253782 
1 1 1 14  -5  28 o 20.537  2.4793  53.992    12.649    84.258    21.673    38.358    15.577    24.637  3.3728  16.436  3.6347  8.200956       4.958515 
1 1 1 14  -5  29 o 31.632  2.1795  137.477   17.879    138.846   28.175    136.554   23.133    31.682  3.3720  31.582  2.7624  0.9999657E-01  4.359006 
1 1 1 14  -5  30 o 34.091  2.1660  155.174   19.146    184.148   31.261    137.782   24.220    36.526  3.2286  31.657  2.8882  4.868410       4.331934 
1 1 1 14  -5  31 o 35.537  3.7124  176.831   34.816    0.0000    0.0000    176.831   34.816    ?       ?       35.537  3.7124  ?              ?        
1 1 1 14  -5  32 o 9.8899  2.5659  -4.4241   9.6821    29.466    18.620    -16.9833  11.335    14.348  4.4142  5.4316  2.6174  8.916717       5.131847 
1 1 1 14  -5  33 o 31.115  2.4777  140.326   19.165    124.302   31.396    149.843   24.196    29.345  4.1068  32.884  2.7730  -3.538582      4.955312 
1 1 1 14  -5  34 o 15.134  3.1773  34.218    13.258    31.685    24.047    35.324    15.891    14.816  5.0533  15.452  3.8528  -0.6357155     6.354538 
1 1 1 14  -5  35 o 15.927  3.2480  35.101    13.898    52.588    24.974    27.255    16.728    18.307  4.9669  13.547  4.1866  4.759450       6.495991 
1 1 1 14  -5  36 o 34.688  2.5383  173.959   22.250    182.978   37.407    169.020   27.679    34.973  4.0694  34.402  3.0350  0.5705299      5.076504 
1 1 1 14  -5  37 o 13.570  3.3282  26.614    13.609    33.440    25.992    24.035    15.973    14.551  5.2319  12.589  4.1151  1.962429       6.656303 
1 1 1 14  -5  38 o 20.777  8.0377  103.452   63.644    103.452   63.644    0.0000    0.0000    20.777  8.0377  ?       ?       ?              ?        
1 1 1 14  -5  39 o 7.2853  2.4098  -11.6357  11.678    -44.7394  24.084    -1.4590   13.353    7.0273  3.4748  7.5433  3.3399  -0.5160832     4.819661 
1 1 1 14  -5  40 o 9.0290  2.8804  -0.5374   13.613    -12.4309  27.420    3.3529    15.682    9.3821  4.3873  8.6759  3.7333  0.7062674      5.760768 
1 1 1 14  -5  41 o 8.8942  2.8462  -0.4508   13.786    -18.2999  28.087    5.2135    15.822    8.9460  4.2599  8.8425  3.7760  0.1035442      5.692489 
1 1 1 14  -5  42 o 10.076  3.1524  8.3086    15.172    11.492    29.709    7.1853    17.647    10.949  4.9059  9.2026  3.9601  1.746378       6.304806 
1 1 1 14  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -4  5  f 212.044 4.0945  6042.90   232.351   6360.92   329.982   5730.17   327.224   217.594 5.6618  206.494 5.9163  11.09982       8.188924 
1 1 1 14  -4  6  o 115.541 2.5372  1790.21   78.515    1812.28   111.602   1768.59   110.481   116.247 3.5843  114.836 3.5919  1.410210       5.074314 
1 1 1 14  -4  7  o 124.442 2.6974  2079.42   89.826    1993.76   127.760   2163.15   126.317   121.900 3.9129  126.985 3.7138  -5.084702      5.394773 
1 1 1 14  -4  8  f 136.791 2.8804  2511.11   105.511   2587.79   150.244   2436.50   148.207   138.854 4.0397  134.729 4.1069  4.124969       5.760748 
1 1 1 14  -4  9  o 217.428 4.2403  6366.35   246.892   6247.62   350.250   6483.60   348.076   215.398 6.0708  219.458 5.9215  -4.059204      8.480539 
1 1 1 14  -4  10 f 87.918  2.2041  1038.64   51.811    991.218   74.333    1083.45   72.256    85.957  3.2286  89.878  3.0014  -3.920776      4.408205 
1 1 1 14  -4  11 o 92.734  2.2716  1154.96   56.361    1122.29   80.896    1185.78   78.567    91.453  3.3025  94.015  3.1200  -2.561295      4.543232 
1 1 1 14  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -4  13 o 250.586 4.8541  8495.10   325.642   8233.21   462.028   8753.60   459.042   246.701 6.9921  254.470 6.7348  -7.769043      9.708111 
1 1 1 14  -4  14 o 143.907 3.0210  2783.45   116.418   2864.12   166.481   2706.25   162.858   145.949 4.2587  141.866 4.2859  4.082840       6.041967 
1 1 1 14  -4  15 o 209.027 4.0935  5896.04   229.122   6089.43   326.205   5707.73   321.892   212.425 5.7332  205.629 5.8444  6.795883       8.186942 
1 1 1 14  -4  16 o 53.238  1.9543  385.309   27.462    338.973   40.345    425.313   37.487    50.164  3.0167  56.312  2.4854  -6.147522      3.908661 
1 1 1 14  -4  17 o 192.061 3.8537  4980.05   198.131   4848.29   282.419   5107.75   278.031   189.528 5.5633  194.594 5.3343  -5.066086      7.707414 
1 1 1 14  -4  18 o 211.967 4.1309  6071.28   234.268   6464.82   334.246   5691.29   328.440   218.763 5.7043  205.172 5.9765  13.59061       8.261842 
1 1 1 14  -4  19 o 89.409  2.2720  1069.35   54.259    1187.73   79.399    965.633   74.319    94.037  3.1523  84.781  3.2727  9.256180       4.543987 
1 1 1 14  -4  20 o 59.266  2.0615  477.968   32.241    423.499   47.635    524.010   43.796    56.050  3.1861  62.481  2.6170  -6.431244      4.123090 
1 1 1 14  -4  21 o 98.212  2.4029  1293.57   63.110    1390.00   92.143    1208.37   86.615    101.651 3.3842  94.774  3.4121  6.877167       4.805768 
1 1 1 14  -4  22 o 62.781  2.4602  517.128   38.244    571.554   69.862    493.839   45.700    64.953  4.0356  60.610  2.8151  4.343262       4.920450 
1 1 1 14  -4  23 o 101.584 2.4924  1389.69   67.712    1433.12   99.073    1351.62   92.758    103.057 3.5891  100.110 3.4593  2.946518       4.984815 
1 1 1 14  -4  24 o 42.569  1.9908  242.226   22.415    270.255   34.256    221.240   29.641    44.696  2.8767  40.441  2.7528  4.255478       3.981605 
1 1 1 14  -4  25 o 51.311  1.9986  351.536   27.171    399.375   41.472    315.557   35.966    54.332  2.8599  48.290  2.7925  6.041916       3.997118 
1 1 1 14  -4  26 o 26.039  2.4870  101.007   15.480    67.423    24.245    124.118   20.112    21.847  4.2964  30.232  2.5063  -8.385696      4.974008 
1 1 1 14  -4  27 o 39.791  2.1560  222.781   21.938    184.312   33.992    250.245   28.720    36.619  3.5086  42.963  2.5066  -6.344669      4.312032 
1 1 1 14  -4  28 o 37.784  2.0698  190.056   20.484    226.916   32.491    165.738   26.390    40.743  2.9983  34.824  2.8543  5.919662       4.139676 
1 1 1 14  -4  29 o 14.259  2.8520  26.106    11.262    40.939    18.913    17.959    14.017    16.865  4.2022  11.652  3.8572  5.212696       5.704068 
1 1 1 14  -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -4  31 o 10.349  2.7885  8.3634    10.251    19.099    18.274    3.4343    12.383    12.349  4.3924  8.3485  3.4364  4.000553       5.576966 
1 1 1 14  -4  32 o 44.320  2.3154  279.307   26.236    247.612   41.739    300.012   33.734    41.924  3.7568  46.717  2.7075  -4.792461      4.630810 
1 1 1 14  -4  33 o 32.207  2.5321  150.175   20.265    136.606   33.568    157.957   25.420    30.697  4.1922  33.717  2.8412  -3.020208      5.064291 
1 1 1 14  -4  34 o 32.363  2.5291  149.885   20.793    150.371   33.975    149.594   26.292    32.122  4.0381  32.603  3.0461  -0.4816132     5.058106 
1 1 1 14  -4  35 o 38.445  2.4053  205.802   23.844    239.622   39.533    186.463   29.894    40.660  3.6694  36.229  3.1108  4.430923       4.810582 
1 1 1 14  -4  36 o 10.397  3.0058  8.6244    11.988    14.287    23.196    6.5607    14.004    11.743  4.7522  9.0516  3.6818  2.691536       6.011596 
1 1 1 14  -4  37 o 18.908  3.3170  60.590    16.248    49.511    28.966    65.676    19.627    16.968  5.5413  20.849  3.6475  -3.880369      6.634034 
1 1 1 14  -4  38 o 7.8799  3.4884  -1.5638   14.562    0.0000    0.0000    -1.5638   14.562    ?       ?       7.8799  3.4884  ?              ?        
1 1 1 14  -4  39 o 15.094  3.4537  39.717    15.856    30.418    29.513    43.489    18.799    13.856  5.4414  16.332  4.2548  -2.476161      6.907369 
1 1 1 14  -4  40 o 11.673  3.0601  18.968    15.363    -24.9376  30.439    33.974    17.795    9.0821  4.3543  14.263  4.3007  -5.181328      6.120164 
1 1 1 14  -4  41 o 15.273  3.6193  44.601    17.141    40.444    32.113    46.257    20.270    14.355  5.6637  16.191  4.5078  -1.836077      7.238575 
1 1 1 14  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -3  4  o 259.669 5.9812  8976.38   394.480   8744.12   483.221   9440.40   683.022   254.946 7.0763  264.392 9.6449  -9.446075      11.96236 
1 1 1 14  -3  5  o 74.844  1.9999  750.513   40.078    760.780   57.564    740.854   55.832    75.340  2.8526  74.348  2.8037  0.9921417      3.999734 
1 1 1 14  -3  6  o 142.304 2.9599  2716.76   112.784   2814.13   160.631   2622.09   158.395   144.821 4.1410  139.786 4.2305  5.034378       5.919875 
1 1 1 14  -3  7  o 110.022 2.4933  1624.57   73.428    1585.79   104.867   1661.88   102.849   108.729 3.6008  111.315 3.4495  -2.585518      4.986513 
1 1 1 14  -3  8  o 102.858 2.3930  1419.82   65.886    1393.33   94.293    1445.09   92.099    101.916 3.4542  103.799 3.3126  -1.882599      4.785924 
1 1 1 14  -3  9  o 165.378 3.3874  3678.88   149.905   3524.85   213.243   3829.35   210.773   161.937 4.9163  168.818 4.6613  -6.880768      6.774801 
1 1 1 14  -3  10 f 250.709 4.8154  8482.58   323.355   8559.35   458.949   8406.91   455.655   251.837 6.8039  249.581 6.8161  2.256149       9.630766 
1 1 1 14  -3  11 o 45.865  2.6656  287.434   32.043    244.372   46.188    327.391   44.491    42.454  4.1134  49.276  3.3916  -6.821117      5.331277 
1 1 1 14  -3  12 o 102.859 2.3920  1418.12   65.785    1540.66   94.812    1304.35   91.352    107.143 3.3038  98.574  3.4599  8.568710       4.783941 
1 1 1 14  -3  13 o 171.284 3.5164  3954.16   161.117   3768.17   229.607   4134.58   226.140   167.284 5.1244  175.284 4.8167  -7.999939      7.032757 
1 1 1 14  -3  14 o 101.870 2.4700  1400.69   67.044    1271.02   96.501    1521.67   93.214    97.272  3.7039  106.468 3.2687  -9.195595      4.939914 
1 1 1 14  -3  15 o 104.279 2.5126  1467.94   69.821    1336.02   100.585   1590.61   96.997    99.716  3.7660  108.842 3.3271  -9.126266      5.025214 
1 1 1 14  -3  16 o 69.830  2.1533  665.618   39.547    556.320   57.710    762.389   54.302    64.276  3.3638  75.384  2.6894  -11.10780      4.306687 
1 1 1 14  -3  17 o 184.489 3.6982  4588.17   182.718   4683.42   261.118   4496.79   255.769   186.364 5.2310  182.613 5.2291  3.750473       7.396419 
1 1 1 14  -3  18 o 94.387  2.4558  1211.27   61.323    1030.76   88.843    1375.53   84.751    87.561  3.7881  101.213 3.1262  -13.65159      4.911519 
1 1 1 14  -3  19 o 140.124 3.0454  2646.59   114.167   2581.18   164.158   2707.86   158.885   138.424 4.4275  141.824 4.1826  -3.400650      6.090717 
1 1 1 14  -3  20 o 108.923 2.5701  1596.32   74.876    1592.36   108.755   1599.89   103.240   108.781 3.7326  109.064 3.5341  -0.2837830     5.140212 
1 1 1 14  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -3  22 o 70.742  2.1447  671.736   40.502    692.351   60.154    654.641   54.778    71.721  3.1313  69.762  2.9316  1.959106       4.289425 
1 1 1 14  -3  23 o 87.729  2.3381  1035.64   54.800    1066.92   80.917    1009.15   74.481    88.934  3.3969  86.525  3.2138  2.408623       4.676251 
1 1 1 14  -3  24 o 66.686  2.1062  597.286   37.432    623.005   56.275    576.878   50.129    67.951  3.0919  65.422  2.8607  2.528831       4.212354 
1 1 1 14  -3  25 o 78.467  2.2414  830.102   46.925    861.495   70.005    804.487   63.234    79.784  3.2759  77.150  3.0600  2.633545       4.482753 
1 1 1 14  -3  26 o 79.280  2.2581  848.346   47.754    895.339   71.503    810.508   64.161    81.224  3.2866  77.337  3.0974  3.886589       4.516144 
1 1 1 14  -3  27 o 75.557  2.2322  771.344   44.962    823.729   67.663    729.922   60.168    77.808  3.2467  73.306  3.0643  4.501373       4.464392 
1 1 1 14  -3  28 o 61.947  2.1476  519.907   35.258    546.715   54.061    500.064   46.512    63.235  3.2023  60.660  2.8627  2.574753       4.295272 
1 1 1 14  -3  29 o 54.162  2.1566  401.151   30.730    404.441   47.601    398.800   40.239    54.256  3.2911  54.068  2.7880  0.1884918      4.313265 
1 1 1 14  -3  30 o 9.2416  3.7725  4.9269    14.768    0.0000    0.0000    4.9269    14.768    ?       ?       9.2416  3.7725  ?              ?        
1 1 1 14  -3  31 f 57.958  2.3257  474.674   34.903    410.857   53.931    520.668   45.785    54.225  3.7360  61.692  2.7708  -7.467861      4.651365 
1 1 1 14  -3  32 o 13.593  3.0349  26.901    12.598    16.595    21.264    32.476    15.638    12.260  4.6703  14.926  3.8769  -2.665973      6.069803 
1 1 1 14  -3  33 o 26.160  2.6703  98.623    17.345    98.014    28.948    98.964    21.665    25.811  4.3414  26.510  3.1103  -0.6990147     5.340533 
1 1 1 14  -3  34 o 27.383  2.9025  115.068   19.091    94.845    31.837    126.421   23.855    24.835  4.9597  29.932  3.0166  -5.096752      5.805070 
1 1 1 14  -3  35 o 12.942  3.2167  22.050    12.861    30.131    23.781    18.710    15.289    14.276  5.0177  11.607  4.0264  2.668668       6.433488 
1 1 1 14  -3  36 o 31.113  2.6794  138.769   20.906    163.913   36.188    126.173   25.613    32.800  4.2167  29.426  3.3069  3.373867       5.358790 
1 1 1 14  -3  37 o 19.163  7.6998  77.806    60.426    77.806    60.426    0.0000    0.0000    19.163  7.6998  ?       ?       ?              ?        
1 1 1 14  -3  38 o 13.668  3.2512  31.356    15.105    9.1704    28.594    39.944    17.790    11.546  5.0046  15.789  4.1516  -4.242365      6.502441 
1 1 1 14  -3  39 o 8.3675  2.7382  -6.6881   13.055    -13.8533  25.686    -4.1923   15.159    9.0636  4.2409  7.6715  3.4650  1.392074       5.476436 
1 1 1 14  -3  40 o 12.393  3.4869  20.988    15.614    32.379    30.712    17.018    18.132    13.764  5.5038  11.022  4.2828  2.742066       6.973849 
1 1 1 14  -3  41 o 11.504  3.4110  16.826    15.525    28.174    31.983    13.328    17.757    12.834  5.4198  10.175  4.1431  2.659402       6.822000 
1 1 1 14  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -2  3  o 219.781 5.3119  6540.56   293.358   6618.87   358.763   6382.58   509.607   221.966 6.0344  217.596 8.7437  4.369583       10.62384 
1 1 1 14  -2  4  o 113.167 2.4773  1717.01   75.079    1674.48   105.727   1760.27   106.635   111.753 3.5321  114.582 3.4745  -2.829132      4.954627 
1 1 1 14  -2  5  o 204.734 3.9142  5631.38   214.647   5643.77   303.466   5618.98   303.647   204.960 5.5278  204.508 5.5433  0.4525452      7.828462 
1 1 1 14  -2  6  o 134.303 2.8007  2420.20   100.725   2355.16   142.186   2485.73   142.709   132.489 4.0067  136.118 3.9142  -3.628815      5.601339 
1 1 1 14  -2  7  o 21.896  1.5808  64.914    9.1215    59.928    12.768    70.112    13.036    21.021  2.3055  22.771  2.1633  -1.750547      3.161541 
1 1 1 14  -2  8  o 239.755 4.6035  7744.39   295.630   7736.73   417.692   7752.07   418.477   239.637 6.5075  239.873 6.5133  -0.2360687     9.207098 
1 1 1 14  -2  9  o 130.669 2.8367  2292.71   99.269    2328.49   140.097   2256.62   140.680   131.696 3.9716  129.641 4.0513  2.054565       5.673376 
1 1 1 14  -2  10 o 316.588 6.0537  13591.70  513.305   13772.30  725.709   13410.89  726.137   318.720 8.5009  314.456 8.6212  4.264343       12.10747 
1 1 1 14  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -2  12 o 58.326  1.7885  456.147   27.938    454.155   39.201    458.203   39.828    58.197  2.5148  58.455  2.5437  -0.2579079     3.576978 
1 1 1 14  -2  13 o 92.182  2.2676  1141.47   55.932    1195.19   78.844    1087.06   79.357    94.373  3.1191  89.992  3.2922  4.380737       4.535176 
1 1 1 14  -2  14 o 89.667  2.2262  1079.10   53.466    1072.56   75.298    1085.75   75.931    89.393  3.1448  89.941  3.1519  -0.5478516     4.452430 
1 1 1 14  -2  15 o 99.068  2.3446  1317.70   62.212    1313.09   87.637    1322.39   88.330    98.893  3.3085  99.242  3.3230  -0.3483734     4.689175 
1 1 1 14  -2  16 o 106.365 2.4401  1519.40   69.513    1494.32   97.911    1544.88   98.707    105.479 3.4656  107.251 3.4360  -1.772301      4.880200 
1 1 1 14  -2  17 o 64.225  1.9475  553.485   33.500    554.629   47.125    552.316   47.630    64.293  2.7366  64.157  2.7717  0.1357498      3.895025 
1 1 1 14  -2  18 o 52.646  1.8475  372.532   25.951    343.657   36.436    402.260   36.971    50.534  2.7017  54.757  2.5207  -4.223904      3.695045 
1 1 1 14  -2  19 o 165.694 3.3906  3703.46   150.463   3755.77   212.621   3651.00   212.954   166.875 4.7569  164.513 4.8328  2.362564       6.781139 
1 1 1 14  -2  20 o 108.318 3.0289  1558.30   82.424    1515.62   99.829    1649.68   146.093   106.142 3.5114  110.494 4.9363  -4.352028      6.057815 
1 1 1 14  -2  21 o 47.007  1.8636  297.857   23.313    271.790   32.654    324.956   33.294    44.892  2.7286  49.122  2.5391  -4.230297      3.727234 
1 1 1 14  -2  22 o 82.324  2.1987  912.436   48.480    908.088   68.200    916.878   68.929    82.127  3.1003  82.521  3.1185  -0.3939438     4.397413 
1 1 1 14  -2  23 o 50.546  1.8719  344.684   25.251    337.037   35.497    352.518   35.928    49.975  2.6614  51.117  2.6330  -1.142071      3.743799 
1 1 1 14  -2  24 o 91.979  2.3372  1144.11   57.543    1190.55   81.345    1097.58   81.412    93.866  3.2354  90.091  3.3738  3.774490       4.674459 
1 1 1 14  -2  25 o 74.526  2.0778  750.738   41.473    736.313   58.471    765.341   58.834    73.801  2.9579  75.251  2.9189  -1.449898      4.155684 
1 1 1 14  -2  26 o 102.927 2.4839  1442.23   68.476    1457.15   96.845    1427.31   96.834    103.468 3.4945  102.386 3.5310  1.082123       4.967826 
1 1 1 14  -2  27 o 26.543  2.7481  96.626    16.922    102.638   32.503    94.390    19.820    26.861  4.6882  26.225  2.8684  0.6361866      5.496111 
1 1 1 14  -2  28 o 56.044  2.1405  427.802   31.651    437.566   48.762    420.693   41.606    56.519  3.2345  55.570  2.8044  0.9495735      4.280929 
1 1 1 14  -2  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -2  30 o 41.357  2.4605  252.083   25.073    180.322   39.205    301.748   32.616    35.712  4.1776  47.003  2.6008  -11.29043      4.921012 
1 1 1 14  -2  31 o 35.359  2.3427  174.148   21.121    174.499   34.742    173.942   26.600    35.200  3.7423  35.519  2.8192  -0.3191681     4.685388 
1 1 1 14  -2  32 f 9.9356  2.7969  8.6525    10.826    1.5800    19.749    11.691    12.944    9.8584  4.2144  10.013  3.6783  -0.1544065     5.593873 
1 1 1 14  -2  33 f 49.139  2.3081  336.415   29.543    354.665   47.401    324.823   37.777    50.001  3.5627  48.278  2.9353  1.722916       4.616148 
1 1 1 14  -2  34 o 26.300  2.7721  95.900    18.315    126.470   31.135    79.726    22.647    29.274  4.0818  23.326  3.7521  5.948391       5.544279 
1 1 1 14  -2  35 o 9.5788  2.8749  2.3321    11.524    12.354    22.237    -1.3476   13.474    11.412  4.6406  7.7452  3.3948  3.667172       5.749719 
1 1 1 14  -2  36 o 52.908  2.4715  406.578   33.694    425.043   55.337    395.699   42.475    53.297  3.9035  52.518  3.0324  0.7793655      4.942956 
1 1 1 14  -2  37 o 36.645  3.1362  195.669   30.486    0.0000    0.0000    195.669   30.486    ?       ?       36.645  3.1362  ?              ?        
1 1 1 14  -2  38 o 16.485  3.6232  44.551    16.546    52.698    30.939    41.288    19.582    17.077  5.7324  15.893  4.4328  1.184663       7.246384 
1 1 1 14  -2  39 o 19.553  3.7109  62.554    18.457    85.251    34.420    53.394    21.866    21.276  5.8554  17.829  4.5605  3.447105       7.421844 
1 1 1 14  -2  40 o 20.526  3.4376  86.562    19.454    45.484    35.569    104.095   23.238    15.104  5.9601  25.948  3.4273  -10.84476      6.875283 
1 1 1 14  -1  0  o 294.791 7.0578  11955.34  519.023   12393.80  634.997   11072.81  900.891   303.517 7.8109  286.065 11.758  17.45261       14.11562 
1 1 1 14  -1  1  o 220.401 4.3259  6527.73   255.175   6830.20   361.098   6226.03   360.646   225.518 5.9780  215.284 6.2543  10.23344       8.651759 
1 1 1 14  -1  2  o 317.786 5.9580  13605.58  507.109   13761.01  717.058   13450.07  717.264   319.613 8.3761  315.959 8.4754  3.653534       11.91599 
1 1 1 14  -1  3  o 125.346 2.6229  2106.65   88.056    2081.26   123.986   2132.49   125.080   124.584 3.7155  126.109 3.7030  -1.524414      5.245709 
1 1 1 14  -1  4  o 346.896 6.4810  16252.47  602.056   15849.16  850.932   16656.74  851.942   342.552 9.2743  351.240 9.0556  -8.688110      12.96208 
1 1 1 14  -1  5  o 321.709 6.0309  13971.98  519.657   13839.63  734.910   14104.33  734.903   320.173 8.5696  323.245 8.4881  -3.071899      12.06172 
1 1 1 14  -1  6  o 274.095 5.2155  10128.40  382.888   10220.39  541.571   10036.47  541.401   275.347 7.3432  272.842 7.4083  2.504608       10.43098 
1 1 1 14  -1  7  o 244.377 4.6397  8044.25   303.696   8025.99   429.406   8062.51   429.575   244.098 6.5677  244.655 6.5553  -0.5573578     9.279408 
1 1 1 14  -1  8  o 37.145  1.6206  185.668   16.041    189.736   22.643    181.570   22.727    37.557  2.2614  36.733  2.3219  0.8245125      3.241148 
1 1 1 14  -1  9  o 101.619 2.3421  1385.46   63.734    1349.04   89.894    1422.28   90.376    100.274 3.3470  102.964 3.2770  -2.689804      4.684130 
1 1 1 14  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -1  11 o 147.893 3.0480  2939.43   120.737   2917.86   170.488   2961.13   171.008   147.347 4.3198  148.438 4.3011  -1.090805      6.095930 
1 1 1 14  -1  12 o 124.534 2.7282  2083.52   90.985    2125.21   128.479   2041.57   128.867   125.788 3.8133  123.279 3.9027  2.508514       5.456405 
1 1 1 14  -1  13 o 176.688 3.5699  4203.80   168.937   4252.73   238.692   4154.69   239.134   177.725 5.0142  175.652 5.0828  2.073471       7.139793 
1 1 1 14  -1  14 o 123.210 2.6855  2039.57   88.624    2030.02   125.059   2049.22   125.609   122.920 3.7984  123.501 3.7972  -0.5801773     5.370900 
1 1 1 14  -1  15 o 6.7044  2.0062  -1.0281   6.4388    4.0285    9.2117    -5.8589   9.0035    7.6214  3.0250  5.7873  2.6362  1.834117       4.012482 
1 1 1 14  -1  16 o 35.146  1.8223  166.556   16.997    152.505   23.760    181.283   24.325    33.612  2.6609  36.680  2.4906  -3.068085      3.644675 
1 1 1 14  -1  17 o 171.628 3.5245  3970.47   162.013   4014.74   228.881   3926.02   229.362   172.594 4.9510  170.662 5.0176  1.932312       7.049034 
1 1 1 14  -1  18 o 171.717 3.4673  3976.55   159.462   4024.29   225.267   3928.61   225.760   172.758 4.8682  170.675 4.9384  2.082870       6.934507 
1 1 1 14  -1  19 o 134.959 2.9372  2453.38   106.173   2469.36   149.916   2437.29   150.388   135.404 4.1336  134.514 4.1740  0.8898010      5.874445 
1 1 1 14  -1  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -1  21 o 170.594 3.5061  3944.83   160.205   3957.40   226.342   3932.21   226.786   170.872 4.9454  170.317 4.9713  0.5552521      7.012222 
1 1 1 14  -1  22 o 39.993  1.8896  215.906   20.115    206.633   28.048    225.726   28.862    39.102  2.6945  40.883  2.6500  -1.780632      3.779238 
1 1 1 14  -1  23 o 50.522  1.9026  345.038   25.621    362.009   36.065    327.746   36.405    51.794  2.6080  49.250  2.7710  2.543339       3.805256 
1 1 1 14  -1  24 o 87.996  2.2719  1047.31   53.542    1062.08   75.507    1032.37   75.934    88.629  3.1807  87.364  3.2450  1.265434       4.543895 
1 1 1 14  -1  25 o 77.311  2.1348  809.342   44.193    828.966   62.327    789.501   62.672    78.266  2.9731  76.356  3.0644  1.910423       4.269632 
1 1 1 14  -1  26 o 72.033  2.0915  703.821   40.347    715.020   56.896    692.493   57.223    72.620  2.9251  71.447  2.9902  1.172798       4.182965 
1 1 1 14  -1  27 o 9.6662  2.0620  5.3642    7.7287    -12.4345  10.446    26.891    11.488    5.5492  2.6294  13.783  3.1770  -8.233936      4.123935 
1 1 1 14  -1  28 o 31.445  1.9292  135.210   16.075    128.202   22.419    142.624   23.060    30.591  2.7660  32.298  2.6901  -1.706417      3.858463 
1 1 1 14  -1  29 o 13.184  2.6283  24.615    9.8048    19.539    13.907    29.632    13.825    11.978  3.8334  14.390  3.5968  -2.411169      5.256664 
1 1 1 14  -1  30 o 75.502  2.1863  782.890   44.211    789.237   62.399    776.492   62.650    75.821  3.0726  75.183  3.1111  0.6379089      4.372581 
1 1 1 14  -1  31 o 26.148  2.1485  95.924    14.650    105.568   20.429    85.712    21.021    27.602  2.8020  24.694  3.2577  2.908304       4.296935 
1 1 1 14  -1  32 o 29.937  2.9976  130.327   20.281    129.372   39.543    130.669   23.625    29.259  5.2380  30.614  2.9163  -1.355358      5.995108 
1 1 1 14  -1  33 o 16.929  3.2849  41.591    14.711    51.405    25.447    36.665    18.029    18.221  5.0429  15.636  4.2108  2.585416       6.569778 
1 1 1 14  -1  34 o 26.469  2.7349  97.275    18.013    124.869   31.505    83.872    21.956    28.933  4.1870  24.004  3.5195  4.929560       5.469756 
1 1 1 14  -1  35 o 37.070  2.4797  190.031   23.416    241.211   40.336    164.015   28.759    40.426  3.7686  33.715  3.2239  6.711220       4.959448 
1 1 1 14  -1  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  -1  37 o 27.211  3.3102  124.244   20.994    103.104   37.068    134.229   25.474    24.166  5.8004  30.256  3.1915  -6.089855      6.620442 
1 1 1 14  -1  38 o 36.407  2.8174  198.927   25.384    223.691   44.826    187.236   30.798    37.259  4.5886  35.555  3.2706  1.704163       5.634863 
1 1 1 14  -1  39 o 10.314  3.1016  -9.9940   13.584    37.894    28.791    -23.7066  15.406    14.600  5.4626  6.0285  2.9392  8.571083       6.203120 
1 1 1 14  -1  40 o 31.581  3.0535  153.338   23.482    211.159   43.603    129.719   27.868    34.679  4.8250  28.483  3.7436  6.196159       6.106916 
1 1 1 14  0   0  o 59.483  1.7572  474.035   27.988    490.229   39.813    458.212   39.353    60.487  2.4573  58.478  2.5125  2.009197       3.514399 
1 1 1 14  0   1  o 271.355 5.1473  9907.10   374.012   10183.40  529.112   9631.16   528.754   275.153 7.1793  267.556 7.3782  7.597198       10.29468 
1 1 1 14  0   2  o 244.010 4.7177  8006.12   308.336   8026.13   435.668   7986.04   436.439   244.317 6.6575  243.702 6.6861  0.6151886      9.435409 
1 1 1 14  0   3  o 259.206 4.9335  9041.61   342.501   9145.36   483.958   8937.52   484.783   260.704 6.9306  257.708 7.0231  2.995728       9.867000 
1 1 1 14  0   4  o 380.168 7.1170  19567.50  724.698   19442.59  1024.64   19692.53  1025.11   378.941 10.095  381.394 10.035  -2.452698      14.23408 
1 1 1 14  0   5  o 213.055 4.1700  6104.36   237.965   6063.40   336.645   6145.27   336.422   212.337 5.9191  213.772 5.8755  -1.435120      8.340094 
1 1 1 14  0   6  o 252.693 4.8422  8604.40   327.701   8468.16   463.500   8740.57   463.378   250.680 6.9031  254.705 6.7922  -4.025116      9.684302 
1 1 1 14  0   7  o 25.385  1.6084  87.049    10.818    89.434    15.387    84.716    15.213    25.734  2.2551  25.037  2.2941  0.6973248      3.216890 
1 1 1 14  0   8  o 113.620 2.5085  1732.35   76.341    1717.37   107.958   1747.33   107.966   113.128 3.5628  114.113 3.5324  -0.9844971     5.017101 
1 1 1 14  0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  0   10 o 137.902 2.9129  2554.82   107.588   2584.56   152.004   2524.96   152.301   138.710 4.0913  137.095 4.1475  1.614639       5.825856 
1 1 1 14  0   11 o 176.161 3.5935  4176.99   169.549   4224.31   239.576   4129.51   239.981   177.167 5.0486  175.156 5.1152  2.010742       7.187061 
1 1 1 14  0   12 o 151.106 3.1450  3070.30   127.287   3082.07   179.760   3058.47   180.264   151.398 4.4329  150.814 4.4625  0.5849457      6.290009 
1 1 1 14  0   13 o 175.036 3.4475  4124.02   161.626   4087.14   228.291   4161.09   228.858   174.248 4.8914  175.823 4.8596  -1.575104      6.895021 
1 1 1 14  0   14 o 102.181 2.3803  1401.84   65.147    1402.06   91.882    1401.62   92.383    102.190 3.3569  102.173 3.3758  0.1734161E-01  4.760690 
1 1 1 14  0   15 o 204.533 4.0250  5644.63   220.505   5611.49   311.556   5677.90   312.126   203.929 5.7039  205.138 5.6806  -1.209320      8.050046 
1 1 1 14  0   16 o 106.897 2.5171  1535.49   72.050    1571.39   101.659   1499.26   102.132   108.157 3.5091  105.637 3.6096  2.520531       5.034208 
1 1 1 14  0   17 o 152.573 3.1923  3134.84   130.451   3162.22   184.241   3107.31   184.732   153.246 4.4886  151.900 4.5404  1.345825       6.384566 
1 1 1 14  0   18 o 26.089  1.9013  92.353    13.081    87.459    18.428    97.324    18.572    25.377  2.7553  26.802  2.6206  -1.425335      3.802540 
1 1 1 14  0   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  0   20 o 33.035  1.8537  147.535   16.261    148.146   22.711    146.892   23.292    33.111  2.5813  32.960  2.6611  0.1506996      3.707336 
1 1 1 14  0   21 o 52.476  1.9505  371.451   27.308    376.904   38.272    365.796   38.976    52.875  2.7115  52.076  2.8047  0.7992363      3.901059 
1 1 1 14  0   22 o 93.215  2.3005  1172.03   57.417    1132.01   80.871    1212.71   81.534    91.601  3.2961  94.828  3.2101  -3.226677      4.600940 
1 1 1 14  0   23 o 43.702  1.8656  258.256   21.731    261.653   30.560    254.780   30.909    43.999  2.6047  43.405  2.6716  0.5940018      3.731194 
1 1 1 14  0   24 o 43.167  1.8956  252.699   21.774    267.614   30.723    237.647   30.863    44.469  2.5906  41.865  2.7679  2.604248       3.791124 
1 1 1 14  0   25 o 80.252  2.1822  873.273   46.905    873.082   66.079    873.466   66.591    80.247  3.0743  80.257  3.0977  -0.1016235E-01 4.364319 
1 1 1 14  0   26 o 62.017  1.9974  521.760   33.163    536.130   46.679    507.115   47.124    62.894  2.7709  61.140  2.8776  1.754108       3.994805 
1 1 1 14  0   27 o 48.355  1.9136  318.074   24.670    302.651   34.484    334.242   35.308    47.141  2.7430  49.569  2.6691  -2.428322      3.827282 
1 1 1 14  0   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  0   29 o 42.872  1.9961  252.485   22.727    270.965   31.938    233.528   32.348    44.516  2.6912  41.229  2.9487  3.287312       3.992194 
1 1 1 14  0   30 o 46.736  1.9868  300.281   24.744    307.423   34.762    292.945   35.230    47.325  2.7543  46.148  2.8643  1.177025       3.973699 
1 1 1 14  0   31 o 71.458  2.1746  706.214   41.619    710.630   58.622    701.726   59.096    71.700  3.0525  71.216  3.0981  0.4840012      4.349199 
1 1 1 14  0   32 o 42.754  2.0126  254.032   22.912    252.530   32.094    255.594   32.720    42.635  2.8264  42.873  2.8658  -0.2372360     4.025108 
1 1 1 14  0   33 o 15.254  2.8035  35.004    11.926    45.893    16.726    23.741    17.011    17.647  3.6586  12.861  4.2487  4.785851       5.606902 
1 1 1 14  0   34 o 12.122  2.7481  20.377    10.674    10.485    14.866    30.902    15.334    9.9512  3.8749  14.293  3.8978  -4.342316      5.496121 
1 1 1 14  0   35 o 11.811  2.8418  19.799    10.907    14.624    15.143    25.378    15.723    10.681  3.9684  12.942  4.0688  -2.260604      5.683611 
1 1 1 14  0   36 o 10.940  2.9546  0.6960    12.139    38.041    23.786    -12.4569  14.116    15.261  5.0233  6.6195  3.1121  8.641390       5.909188 
1 1 1 14  0   37 o 15.816  3.5665  40.659    15.909    44.076    30.660    39.400    18.611    15.969  5.6885  15.662  4.3036  0.3062620      7.133012 
1 1 1 14  0   38 o 32.919  3.3488  183.294   25.537    157.178   44.729    195.923   31.104    29.497  5.8678  36.341  3.2292  -6.843697      6.697693 
1 1 1 14  0   39 o 22.806  3.6525  95.092    20.315    88.895    37.934    97.584    24.055    20.696  6.2879  24.916  3.7183  -4.219187      7.305037 
1 1 1 14  1   0  o 337.142 6.3746  15332.84  575.534   15678.86  814.059   14987.04  813.798   340.972 8.9135  333.312 9.1154  7.660248       12.74916 
1 1 1 14  1   1  o 326.453 6.1766  14374.10  540.063   14504.49  763.562   14243.58  763.967   327.945 8.6927  324.960 8.7772  2.985138       12.35322 
1 1 1 14  1   2  o 28.612  1.5839  110.452   12.027    116.335   16.999    104.556   17.019    29.386  2.1752  27.839  2.3031  1.547045       3.167876 
1 1 1 14  1   3  o 85.852  2.1055  988.022   48.415    985.654   68.128    990.437   68.814    85.748  2.9663  85.955  2.9889  -0.2071762     4.210993 
1 1 1 14  1   4  o 81.297  2.1057  886.145   45.848    896.712   64.695    875.484   64.982    81.785  2.9533  80.810  3.0022  0.9752121      4.211357 
1 1 1 14  1   5  o 301.724 5.7201  12295.03  462.268   12203.60  653.836   12386.42  653.654   300.592 8.1209  302.855 8.0579  -2.262939      11.44023 
1 1 1 14  1   6  o 185.229 3.6707  4612.52   182.105   4565.67   257.694   4659.26   257.378   184.285 5.2207  186.172 5.1614  -1.887207      7.341338 
1 1 1 14  1   7  o 103.775 2.3871  1444.79   66.352    1450.66   93.947    1438.94   93.724    103.986 3.3730  103.565 3.3787  0.4210129      4.774197 
1 1 1 14  1   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  1   9  o 94.346  2.2880  1194.29   57.820    1194.54   81.799    1194.03   81.740    94.356  3.2366  94.336  3.2349  0.2008057E-01  4.576061 
1 1 1 14  1   10 f 93.073  2.3059  1162.49   57.482    1176.47   81.292    1148.51   81.292    93.634  3.2414  92.512  3.2806  1.121864       4.611825 
1 1 1 14  1   11 o 89.136  2.2049  1066.10   52.643    1062.23   74.333    1070.00   74.563    88.974  3.1191  89.299  3.1174  -0.3249664     4.409879 
1 1 1 14  1   12 o 101.160 2.3576  1373.64   63.877    1355.56   90.130    1391.89   90.543    100.490 3.3486  101.830 3.3196  -1.339943      4.715170 
1 1 1 14  1   13 o 141.360 2.9778  2686.57   112.740   2715.79   159.253   2657.22   159.624   142.134 4.1831  140.585 4.2391  1.548355       5.955523 
1 1 1 14  1   14 o 175.313 3.5476  4139.31   166.584   4131.91   235.318   4146.75   235.854   175.156 5.0158  175.470 5.0182  -0.3139038     7.095126 
1 1 1 14  1   15 o 182.493 3.6921  4488.84   180.466   4434.08   254.843   4543.94   255.595   181.371 5.2458  183.615 5.1970  -2.244080      7.384291 
1 1 1 14  1   16 o 102.594 2.4320  1413.93   66.828    1418.66   94.248    1409.15   94.773    102.768 3.4239  102.420 3.4547  0.3477707      4.863986 
1 1 1 14  1   17 o 46.761  1.8029  294.205   22.494    290.545   31.567    297.980   32.061    46.465  2.5461  47.057  2.5533  -0.5917549     3.605834 
1 1 1 14  1   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  1   19 o 83.829  2.1731  944.765   48.779    913.866   68.692    976.193   69.278    82.442  3.1108  85.215  3.0352  -2.773079      4.346213 
1 1 1 14  1   20 o 66.959  2.0231  603.240   36.260    625.831   51.155    580.427   51.405    68.226  2.7993  65.693  2.9215  2.532967       4.046146 
1 1 1 14  1   21 o 39.055  1.8638  206.105   19.379    208.252   27.247    203.909   27.568    39.266  2.6055  38.845  2.6658  0.4212875      3.727638 
1 1 1 14  1   22 o 33.889  1.8396  155.497   16.568    152.245   23.358    158.791   23.504    33.527  2.6219  34.250  2.5811  -0.7232246     3.679147 
1 1 1 14  1   23 o 42.948  1.8545  249.519   21.210    234.619   29.712    265.001   30.287    41.627  2.6790  44.270  2.5652  -2.642757      3.709091 
1 1 1 14  1   24 o 30.491  1.8982  126.457   15.338    122.135   21.442    130.987   21.950    29.950  2.7019  31.031  2.6668  -1.081038      3.796342 
1 1 1 14  1   25 o 90.578  2.3208  1115.81   56.305    1115.19   79.316    1116.45   79.942    90.558  3.2700  90.599  3.2943  -0.4111481E-01 4.641674 
1 1 1 14  1   26 o 49.969  1.9272  339.530   25.665    318.478   36.008    361.269   36.591    48.372  2.7910  51.566  2.6583  -3.194492      3.854403 
1 1 1 14  1   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  1   28 o 26.729  2.0645  98.556    14.528    93.830    20.388    103.431   20.707    26.056  2.9746  27.402  2.8636  -1.345749      4.128972 
1 1 1 14  1   29 o 48.261  1.9863  319.301   25.505    291.957   35.659    347.939   36.494    46.101  2.9026  50.420  2.7122  -4.319012      3.972576 
1 1 1 14  1   30 o 44.099  1.9831  267.758   23.297    259.913   32.660    275.883   33.241    43.431  2.8229  44.767  2.7860  -1.335667      3.966188 
1 1 1 14  1   31 f 21.019  2.5240  64.170    13.517    77.960    19.077    50.264    19.156    23.524  3.1035  18.514  3.9813  5.009575       5.048005 
1 1 1 14  1   32 o 29.592  2.1587  123.253   16.857    119.305   23.436    127.485   24.265    29.098  3.0525  30.087  3.0533  -0.9892807     4.317451 
1 1 1 14  1   33 o 20.258  2.6813  61.456    13.926    70.852    19.315    51.282    20.098    22.120  3.3662  18.396  4.1745  3.723354       5.362664 
1 1 1 14  1   34 o 15.267  2.7893  35.472    11.785    25.069    16.452    46.436    16.889    12.951  4.1720  17.582  3.7033  -4.630731      5.578525 
1 1 1 14  1   35 o 11.716  4.4939  17.504    19.772    0.0000    0.0000    17.504    19.772    ?       ?       11.716  4.4939  ?              ?        
1 1 1 14  1   36 o 15.873  2.9402  39.919    12.759    45.888    17.863    33.702    18.231    17.177  3.9632  14.569  4.3441  2.607766       5.880312 
1 1 1 14  1   37 o 9.8462  2.7858  9.6699    11.300    4.6029    15.923    14.810    16.038    9.0194  3.8173  10.673  4.0584  -1.653534      5.571580 
1 1 1 14  1   38 o 18.610  3.4442  72.038    19.844    19.236    40.243    89.002    22.811    13.232  5.8314  23.988  3.6667  -10.75534      6.888364 
1 1 1 14  1   39 f 23.204  3.7214  103.650   21.226    91.086    39.544    108.735   25.158    20.239  6.4627  26.169  3.6917  -5.930048      7.442842 
1 1 1 14  2   0  o 344.028 6.4553  15981.80  594.765   16266.81  841.023   15696.65  841.228   347.122 9.0456  340.934 9.2120  6.188080       12.91060 
1 1 1 14  2   1  o 142.072 2.9144  2708.21   110.892   2744.27   156.568   2671.92   157.084   143.023 4.0870  141.120 4.1558  1.902374       5.828744 
1 1 1 14  2   2  o 171.376 3.4010  3944.13   156.089   4018.62   220.351   3869.10   221.137   173.005 4.7552  169.747 4.8637  3.258942       6.802029 
1 1 1 14  2   3  o 170.452 3.4336  3902.26   156.756   3935.15   221.292   3869.14   222.082   171.176 4.8265  169.728 4.8851  1.447662       6.867261 
1 1 1 14  2   4  o 253.776 4.8324  8678.05   328.421   8488.72   464.151   8867.89   464.766   250.988 6.9043  256.564 6.7632  -5.576157      9.664842 
1 1 1 14  2   5  o 292.955 5.5631  11595.51  436.423   11306.58  617.048   11884.72  617.343   289.271 7.9639  296.638 7.7698  -7.366730      11.12625 
1 1 1 14  2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  2   7  o 127.215 2.7601  2172.85   94.044    2149.78   133.143   2195.83   132.854   126.539 3.9283  127.891 3.8783  -1.352325      5.520234 
1 1 1 14  2   8  o 24.862  1.6765  83.750    11.004    78.260    15.626    89.150    15.499    24.036  2.4619  25.689  2.2762  -1.652948      3.352920 
1 1 1 14  2   9  o 54.385  1.8226  396.583   26.549    399.779   37.643    393.419   37.450    54.603  2.5738  54.167  2.5813  0.4362144      3.645190 
1 1 1 14  2   10 o 117.397 2.6303  1850.72   82.706    1835.15   116.962   1866.28   116.966   116.902 3.7354  117.892 3.7041  -0.9900665     5.260553 
1 1 1 14  2   11 o 145.901 3.0585  2861.64   119.522   2856.28   168.960   2867.00   169.101   145.764 4.3276  146.038 4.3231  -0.2738342     6.116939 
1 1 1 14  2   12 o 107.965 2.4752  1565.26   71.571    1589.82   101.114   1540.59   101.321   108.817 3.4692  107.114 3.5316  1.702995       4.950462 
1 1 1 14  2   13 o 95.422  2.3134  1222.35   59.124    1235.86   83.465    1208.75   83.764    95.953  3.2476  94.891  3.2957  1.061409       4.626899 
1 1 1 14  2   14 o 91.614  2.2683  1126.66   55.661    1121.58   78.533    1131.79   78.900    91.406  3.2077  91.821  3.2081  -0.4150391     4.536616 
1 1 1 14  2   15 o 141.286 3.0075  2686.23   113.758   2776.61   160.688   2595.42   161.071   143.680 4.1754  138.891 4.3297  4.789307       6.014950 
1 1 1 14  2   16 o 32.876  1.8196  145.913   15.894    148.108   22.445    143.704   22.509    33.128  2.5491  32.624  2.5974  0.5041809      3.639287 
1 1 1 14  2   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  2   18 o 162.118 3.3420  3550.08   145.110   3495.97   204.824   3604.60   205.611   160.870 4.7535  163.366 4.6989  -2.496353      6.683985 
1 1 1 14  2   19 o 69.882  2.0173  656.711   37.748    672.151   53.211    641.070   53.559    70.714  2.8094  69.051  2.8958  1.662239       4.034619 
1 1 1 14  2   20 o 88.160  2.2712  1047.20   53.621    1062.29   75.554    1031.88   76.112    88.806  3.1764  87.514  3.2470  1.291565       4.542313 
1 1 1 14  2   21 o 79.558  2.1460  853.297   45.726    860.841   64.378    845.617   64.957    79.918  3.0075  79.198  3.0621  0.7190933      4.292042 
1 1 1 14  2   22 o 42.325  1.8498  242.357   20.793    216.958   29.067    268.973   29.755    40.027  2.7275  44.623  2.4996  -4.596405      3.699599 
1 1 1 14  2   23 o 15.881  2.3314  36.808    9.9101    57.329    13.976    16.056    14.054    20.451  2.6110  11.310  3.8632  9.141636       4.662795 
1 1 1 14  2   24 o 69.064  2.0622  646.054   38.113    609.830   53.543    683.261   54.264    67.084  2.9798  71.043  2.8517  -3.959084      4.124487 
1 1 1 14  2   25 o 41.480  1.8981  234.050   20.962    243.013   29.655    225.099   29.635    42.289  2.6311  40.670  2.7364  1.618969       3.796102 
1 1 1 14  2   26 o 55.313  3.6680  421.314   54.035    421.314   54.035    0.0000    0.0000    55.313  3.6680  ?       ?       ?              ?        
1 1 1 14  2   27 o 27.117  2.0940  101.641   14.721    81.824    20.441    122.995   21.219    24.261  3.2256  29.972  2.6711  -5.711315      4.187973 
1 1 1 14  2   28 o 17.893  2.4477  45.494    11.307    45.698    15.980    45.289    16.000    17.937  3.4514  17.849  3.4718  0.8787346E-01  4.895420 
1 1 1 14  2   29 o 40.108  1.9815  221.282   21.151    222.145   29.725    220.396   30.103    40.197  2.7779  40.019  2.8265  0.1776047      3.963046 
1 1 1 14  2   30 o 14.235  2.7080  29.482    10.575    26.917    14.946    32.053    14.965    13.637  3.8971  14.834  3.7612  -1.197120      5.416074 
1 1 1 14  2   31 o 29.989  2.1515  126.001   16.976    112.827   23.547    140.260   24.497    28.291  3.1615  31.687  2.9191  -3.395670      4.303016 
1 1 1 14  2   32 o 14.096  2.8224  29.392    11.241    24.002    15.611    35.198    16.201    12.846  4.0563  15.346  3.9255  -2.500497      5.644753 
1 1 1 14  2   33 o 31.728  2.1811  143.971   18.227    154.283   25.488    133.180   26.075    33.006  2.9130  30.451  3.2471  2.555271       4.362214 
1 1 1 14  2   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  2   35 o 15.785  2.9529  39.040    12.712    35.143    17.781    43.114    18.180    14.953  4.2429  16.617  4.1079  -1.664050      5.905700 
1 1 1 14  2   36 o 11.547  2.8194  17.290    11.628    3.7301    16.380    31.065    16.509    9.0401  3.8507  14.054  4.1193  -5.014010      5.638873 
1 1 1 14  2   37 f 12.816  3.0369  25.907    12.370    29.305    17.165    22.234    17.844    13.509  4.2518  12.122  4.3374  1.387202       6.073744 
1 1 1 14  2   38 o 12.600  2.9139  24.577    12.419    39.030    17.479    9.8397    17.650    15.324  4.1542  9.8749  4.0874  5.449354       5.827833 
1 1 1 14  3   0  o 253.716 4.8869  8667.21   332.081   8777.20   469.304   8556.93   469.962   255.338 6.8620  252.095 6.9600  3.243164       9.773878 
1 1 1 14  3   1  o 194.124 3.8347  5064.47   199.382   5108.29   281.572   5020.41   282.368   194.970 5.3918  193.278 5.4543  1.692001       7.669490 
1 1 1 14  3   2  o 231.895 4.4680  7240.24   277.380   7497.87   392.002   6981.90   392.548   236.050 6.2001  227.741 6.4352  8.308594       8.936017 
1 1 1 14  3   3  o 229.615 4.3936  7097.55   270.179   6947.38   381.497   7248.66   382.687   227.167 6.2698  232.062 6.1567  -4.894943      8.787279 
1 1 1 14  3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  3   5  o 61.589  2.8581  521.570   45.888    422.842   67.053    608.537   62.933    55.923  4.5150  67.254  3.5057  -11.33165      5.716228 
1 1 1 14  3   6  o 41.839  1.7315  235.500   19.314    229.790   27.312    241.211   27.317    41.328  2.4788  42.351  2.4182  -1.022633      3.462929 
1 1 1 14  3   7  o 181.941 3.6123  4453.20   176.026   4400.41   249.056   4505.90   248.820   180.859 5.1413  183.024 5.0756  -2.165314      7.224560 
1 1 1 14  3   8  o 133.167 2.8321  2381.79   101.015   2403.34   143.049   2360.35   142.666   133.769 3.9925  132.565 4.0179  1.204208       5.664241 
1 1 1 14  3   9  o 174.443 3.5491  4094.89   165.819   4145.39   234.694   4044.57   234.313   175.521 4.9921  173.365 5.0460  2.156387       7.098105 
1 1 1 14  3   10 o 128.051 2.7547  2202.56   94.482    2208.18   133.713   2196.95   133.524   128.214 3.8936  127.887 3.8980  0.3269882      5.509468 
1 1 1 14  3   11 o 159.276 3.2708  3412.65   139.525   3354.53   197.250   3470.85   197.387   157.913 4.6635  160.639 4.5875  -2.726120      6.541674 
1 1 1 14  3   12 o 88.844  2.2186  1059.36   52.788    1037.94   74.558    1080.89   74.748    87.942  3.1653  89.746  3.1095  -1.804344      4.437127 
1 1 1 14  3   13 o 73.450  2.0356  723.838   40.047    725.216   56.563    722.452   56.708    73.520  2.8723  73.379  2.8853  0.1408005      4.071234 
1 1 1 14  3   14 o 145.613 3.0770  2852.49   119.998   2805.52   169.453   2899.72   169.953   144.406 4.3810  146.819 4.3217  -2.413330      6.153914 
1 1 1 14  3   15 o 110.326 2.5544  1637.00   75.401    1722.85   106.547   1550.87   106.720   113.236 3.5129  107.416 3.7093  5.820511       5.108747 
1 1 1 14  3   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  3   17 o 70.694  2.0544  671.536   38.892    685.612   54.827    657.280   55.176    71.443  2.8652  69.945  2.9451  1.497650       4.108894 
1 1 1 14  3   18 o 59.245  1.9169  471.548   30.416    462.253   42.794    481.037   43.238    58.654  2.7239  59.835  2.6979  -1.181702      3.833836 
1 1 1 14  3   19 o 68.492  2.0463  631.071   37.540    627.648   52.812    634.567   53.371    68.305  2.8866  68.679  2.9013  -0.3738632     4.092688 
1 1 1 14  3   20 o 95.596  2.3469  1232.79   60.092    1219.45   84.693    1246.32   85.277    95.073  3.3258  96.118  3.3123  -1.044647      4.693895 
1 1 1 14  3   21 o 112.978 2.6033  1728.46   78.773    1703.15   111.015   1754.14   111.792   112.140 3.6960  113.816 3.6671  -1.676186      5.206526 
1 1 1 14  3   22 o 55.191  1.9247  411.047   28.450    411.966   40.019    410.108   40.452    55.256  2.7039  55.125  2.7397  0.1302185      3.849306 
1 1 1 14  3   23 o 66.940  2.0586  606.321   36.898    585.816   51.810    627.426   52.562    65.784  2.9404  68.095  2.8818  -2.310562      4.117140 
1 1 1 14  3   24 o 13.888  2.4719  27.299    9.1853    27.005    12.791    27.613    13.199    13.812  3.4636  13.964  3.5277  -0.1518974     4.943780 
1 1 1 14  3   25 o 60.020  2.7242  506.525   39.175    521.849   46.713    470.203   71.917    62.010  2.8125  58.030  4.6664  3.980366       5.448402 
1 1 1 14  3   26 o 73.620  2.1795  739.119   42.975    728.474   60.575    749.905   60.979    73.082  3.0945  74.159  3.0699  -1.077866      4.358973 
1 1 1 14  3   27 f 53.623  1.9991  392.907   28.607    385.000   40.125    401.080   40.797    53.071  2.8330  54.175  2.8213  -1.104309      3.998185 
1 1 1 14  3   28 o 37.112  1.9976  189.269   19.702    183.610   27.540    195.201   28.197    36.537  2.8364  37.686  2.8137  -1.149685      3.995219 
1 1 1 14  3   29 o 48.934  2.0056  329.970   26.168    334.938   36.817    324.898   37.201    49.326  2.7982  48.543  2.8739  0.7831993      4.011142 
1 1 1 14  3   30 o 38.959  2.0649  210.911   21.381    202.786   30.034    219.260   30.444    38.175  2.9604  39.743  2.8794  -1.567936      4.129789 
1 1 1 14  3   31 o 40.384  2.0433  227.850   21.951    231.575   30.915    224.062   31.172    40.740  2.8510  40.028  2.9278  0.7127266      4.086606 
1 1 1 14  3   32 f 34.057  2.1288  164.543   19.151    176.607   26.878    152.102   27.295    35.426  2.8570  32.687  3.1568  2.738327       4.257653 
1 1 1 14  3   33 o 52.090  3.0316  385.801   42.115    385.801   42.115    0.0000    0.0000    52.090  3.0316  ?       ?       ?              ?        
1 1 1 14  3   34 o 15.462  2.8579  36.794    12.332    25.304    17.161    49.064    17.734    12.956  4.2668  17.969  3.8032  -5.012418      5.715746 
1 1 1 14  3   35 f 8.3965  2.4309  -1.9349   10.107    -19.4760  14.324    15.455    14.262    6.1033  2.9415  10.690  3.8711  -4.586500      4.861808 
1 1 1 14  3   36 o 22.110  2.7142  75.262    15.441    66.672    21.656    84.144    22.021    20.633  4.0633  23.587  3.5996  -2.954523      5.428382 
1 1 1 14  3   37 f 14.079  3.0771  32.746    12.782    31.622    18.031    33.881    18.121    13.850  4.3576  14.309  4.3456  -0.4593945     6.154106 
1 1 1 14  4   0  o 236.455 4.5673  7529.35   289.117   7799.76   408.621   7258.28   409.125   240.730 6.3372  232.179 6.5788  8.551117       9.134594 
1 1 1 14  4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  4   3  o 96.893  2.2907  1259.19   59.443    1231.61   83.732    1287.20   84.403    95.823  3.2624  97.964  3.2166  -2.141045      4.581465 
1 1 1 14  4   4  o 143.653 2.9815  2771.38   114.698   2703.31   161.889   2840.00   162.526   141.877 4.2601  145.428 4.1724  -3.550903      5.962983 
1 1 1 14  4   5  o 89.446  2.2221  1073.32   53.224    1044.77   75.205    1101.97   75.334    88.252  3.1815  90.639  3.1030  -2.387230      4.444184 
1 1 1 14  4   6  o 132.208 2.8588  2347.90   101.205   2282.83   143.191   2412.84   143.061   130.372 4.1005  134.044 3.9846  -3.671799      5.717642 
1 1 1 14  4   7  o 152.664 3.1782  3132.61   129.950   3179.77   184.013   3085.69   183.541   153.814 4.4665  151.514 4.5226  2.299362       6.356378 
1 1 1 14  4   8  o 65.827  1.9178  581.140   33.812    578.231   47.988    584.007   47.650    65.663  2.7285  65.991  2.6958  -0.3281937     3.835629 
1 1 1 14  4   9  o 53.251  1.8168  380.245   25.913    382.920   36.772    377.606   36.521    53.437  2.5691  53.065  2.5695  0.3721085      3.633526 
1 1 1 14  4   10 o 26.179  1.7947  92.800    12.421    91.375    17.737    94.170    17.400    25.975  2.5836  26.384  2.4916  -0.4083424     3.589316 
1 1 1 14  4   11 o 27.284  1.9601  101.169   13.898    123.152   20.059    80.874    19.274    30.201  2.5023  24.366  3.0177  5.835312       3.920188 
1 1 1 14  4   12 o 46.265  1.8326  287.990   22.608    299.050   32.103    277.108   31.845    47.152  2.5514  45.378  2.6313  1.774685       3.665152 
1 1 1 14  4   13 o 48.307  1.8524  314.030   23.867    302.712   33.726    325.385   33.779    47.429  2.6656  49.186  2.5729  -1.757317      3.704774 
1 1 1 14  4   14 o 75.662  2.1082  768.802   42.698    799.087   60.331    738.411   60.436    77.159  2.9192  74.165  3.0424  2.994263       4.216337 
1 1 1 14  4   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  4   16 o 113.213 2.5873  1724.61   78.456    1710.34   110.697   1739.01   111.212   112.741 3.6657  113.684 3.6523  -0.9428864     5.174625 
1 1 1 14  4   17 o 26.393  1.9674  94.637    13.696    95.069    19.211    94.190    19.532    26.459  2.7510  26.327  2.8134  0.1320305      3.934870 
1 1 1 14  4   18 o 58.811  1.9672  465.090   30.984    467.253   43.532    462.868   44.111    58.951  2.7569  58.670  2.8070  0.2814789      3.934443 
1 1 1 14  4   19 o 119.091 2.6899  1916.94   85.800    1929.62   121.036   1904.13   121.644   119.493 3.7817  118.689 3.8264  0.8044968      5.379823 
1 1 1 14  4   20 o 23.472  1.9646  75.182    12.106    72.842    16.814    77.700    17.444    23.089  2.7744  23.856  2.7823  -0.7665405     3.929196 
1 1 1 14  4   21 o 54.149  1.9097  395.450   27.697    393.917   38.973    397.014   39.369    54.044  2.6923  54.254  2.7091  -0.2096710     3.819450 
1 1 1 14  4   22 o 41.635  1.8649  234.925   20.688    229.990   29.042    240.009   29.477    41.188  2.6466  42.082  2.6283  -0.8946877     3.729897 
1 1 1 14  4   23 o 32.316  1.9086  142.263   16.324    129.550   22.851    155.512   23.328    30.811  2.7995  33.821  2.5949  -3.009821      3.817202 
1 1 1 14  4   24 o 17.103  2.3477  41.141    10.362    44.887    14.843    37.578    14.474    17.900  3.2138  16.305  3.4232  1.595736       4.695399 
1 1 1 14  4   25 o 49.076  2.6637  335.783   31.281    324.995   57.883    340.233   37.178    48.176  4.5392  49.976  2.7885  -1.799606      5.327312 
1 1 1 14  4   26 o 11.496  2.3699  16.487    9.0709    0.5955    13.009    31.523    12.654    8.0928  3.4391  14.898  3.2616  -6.805459      4.739744 
1 1 1 14  4   27 o 43.253  1.9556  256.258   22.534    255.298   31.592    257.252   32.152    43.177  2.7460  43.329  2.7851  -0.1519241     3.911206 
1 1 1 14  4   28 o 23.308  2.2184  76.149    13.449    69.089    18.881    83.418    19.160    22.146  3.2824  24.470  2.9852  -2.323948      4.436858 
1 1 1 14  4   29 o 43.642  2.0229  263.480   23.507    254.507   33.055    272.660   33.437    42.870  2.8957  44.413  2.8254  -1.543194      4.045739 
1 1 1 14  4   30 o 51.720  2.0792  372.155   28.651    348.732   39.922    397.031   41.142    50.002  2.9946  53.438  2.8851  -3.435875      4.158324 
1 1 1 14  4   31 o 28.216  2.2367  113.344   16.556    103.648   23.308    123.219   23.521    26.912  3.3029  29.521  3.0171  -2.608858      4.473501 
1 1 1 14  4   32 o 16.088  2.6963  38.381    12.509    15.563    17.199    64.001    18.225    11.221  4.2174  20.955  3.3607  -9.733885      5.392673 
1 1 1 14  4   33 o 13.772  2.9064  28.372    11.939    38.786    17.235    18.764    16.555    15.878  4.0420  11.666  4.1773  4.212667       5.812725 
1 1 1 14  4   34 o 15.899  2.8456  38.528    13.107    60.444    19.026    18.728    18.084    20.048  3.6787  11.750  4.3424  8.297952       5.691147 
1 1 1 14  4   35 o 24.124  2.6043  87.818    16.285    90.955    23.006    84.667    23.054    24.625  3.5937  23.623  3.7703  1.002035       5.208650 
1 1 1 14  4   36 o 16.755  3.0262  45.701    13.733    52.776    19.515    38.758    19.330    18.173  4.1059  15.337  4.4467  2.835910       6.052349 
1 1 1 14  4   37 o 15.650  3.1752  42.132    14.013    40.772    20.014    43.441    19.628    15.359  4.5452  15.941  4.4349  -0.5827007     6.350392 
1 1 1 14  5   0  o 158.363 3.2173  3368.68   136.453   3420.32   192.594   3316.64   193.355   159.586 4.5057  157.140 4.5939  2.446259       6.434659 
1 1 1 14  5   1  f 133.326 2.8217  2386.90   100.726   2453.01   142.054   2320.05   142.845   135.188 3.9231  131.463 4.0567  3.724808       5.643330 
1 1 1 14  5   2  o 53.216  1.7607  379.599   25.095    378.387   35.269    380.841   35.715    53.130  2.4783  53.301  2.5016  -0.1715240     3.521394 
1 1 1 14  5   3  o 57.865  1.8331  448.908   28.410    449.691   39.993    448.109   40.366    57.916  2.5781  57.814  2.6068  0.1026192      3.666273 
1 1 1 14  5   4  o 169.121 3.4121  3845.27   154.544   3767.00   218.221   3924.02   218.896   167.389 4.8672  170.853 4.7833  -3.464279      6.824193 
1 1 1 14  5   5  f 48.275  1.8036  313.321   23.236    307.980   32.794    318.706   32.927    47.859  2.5676  48.690  2.5336  -0.8310547     3.607134 
1 1 1 14  5   6  o 90.210  2.2469  1092.05   54.277    1062.97   76.793    1121.07   76.725    89.008  3.2211  91.413  3.1336  -2.404572      4.493856 
1 1 1 14  5   7  o 138.249 2.9307  2567.88   108.518   2605.59   153.688   2530.40   153.248   139.264 4.1202  137.235 4.1691  2.029282       5.861483 
1 1 1 14  5   8  o 97.472  2.3931  1275.24   62.468    1305.65   88.552    1245.11   88.134    98.631  3.3519  96.313  3.4164  2.318008       4.786148 
1 1 1 14  5   9  o 100.801 2.3894  1364.02   64.505    1341.54   91.349    1386.37   91.099    99.970  3.4115  101.632 3.3465  -1.661163      4.778852 
1 1 1 14  5   10 f 65.843  1.9781  581.533   34.882    594.636   49.476    568.583   49.185    66.582  2.7743  65.105  2.8205  1.476685       3.956258 
1 1 1 14  5   11 o 125.188 2.7556  2105.79   92.392    2079.17   130.733   2132.36   130.592   124.394 3.9237  125.981 3.8701  -1.586723      5.511167 
1 1 1 14  5   12 o 96.885  2.3282  1260.32   60.414    1245.43   85.485    1275.18   85.392    96.312  3.3138  97.459  3.2712  -1.146484      4.656362 
1 1 1 14  5   13 o 163.053 3.3412  3580.92   145.916   3545.07   206.275   3616.83   206.438   162.231 4.7470  163.874 4.7032  -1.642502      6.682379 
1 1 1 14  5   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  5   15 o 95.115  2.3156  1216.20   58.976    1178.31   83.168    1254.52   83.642    93.620  3.3166  96.610  3.2323  -2.989395      4.631188 
1 1 1 14  5   16 o 58.713  1.9350  463.301   30.408    442.290   42.960    484.397   43.046    57.374  2.7955  60.051  2.6762  -2.677162      3.869998 
1 1 1 14  5   17 o 78.913  2.1759  837.954   45.992    835.864   64.827    840.072   65.258    78.815  3.0709  79.012  3.0836  -0.1966095     4.351871 
1 1 1 14  5   18 o 26.982  1.9110  98.857    13.621    101.857   19.507    96.003    19.028    27.387  2.6941  26.578  2.7109  0.8089600      3.821908 
1 1 1 14  5   19 o 51.484  1.8922  357.832   25.994    344.950   36.570    370.986   36.954    50.539  2.7114  52.428  2.6400  -1.888901      3.784318 
1 1 1 14  5   20 o 34.111  1.8448  157.644   16.723    154.339   23.343    161.129   23.969    33.743  2.6029  34.479  2.6148  -0.7366447     3.689500 
1 1 1 14  5   21 o 39.590  1.8615  212.444   19.624    207.563   27.598    217.436   27.910    39.126  2.6491  40.055  2.6158  -0.9298706     3.722915 
1 1 1 14  5   22 o 65.757  2.0600  585.965   36.262    601.447   50.948    570.069   51.624    66.652  2.8538  64.861  2.9715  1.791405       4.119977 
1 1 1 14  5   23 o 55.051  1.9377  410.519   28.571    406.318   40.151    414.829   40.665    54.767  2.7371  55.336  2.7436  -0.5691223     3.875431 
1 1 1 14  5   24 o 16.729  3.4928  39.636    15.145    0.0000    0.0000    39.636    15.145    ?       ?       16.729  3.4928  ?              ?        
1 1 1 14  5   25 o 41.573  1.9377  235.890   21.453    234.494   30.054    237.341   30.632    41.453  2.7220  41.694  2.7585  -0.2413063     3.875361 
1 1 1 14  5   26 o 14.349  2.6212  29.520    10.215    24.860    14.450    34.174    14.443    13.247  3.8457  15.451  3.5628  -2.203927      5.242418 
1 1 1 14  5   27 o 9.3995  2.4556  8.1448    8.7863    -0.7806   12.618    16.545    12.242    7.7354  3.3387  11.064  3.6018  -3.328160      4.911175 
1 1 1 14  5   28 o 6.6960  2.1159  -4.1236   7.7557    -3.8804   11.143    -4.3520   10.801    6.7881  3.0256  6.6038  2.9586  0.1842546      4.231771 
1 1 1 14  5   29 o 8.4713  2.4463  2.8228    9.2153    -5.1214   13.298    10.162    12.782    7.3038  3.2768  9.6387  3.6331  -2.334883      4.892531 
1 1 1 14  5   30 o 37.924  2.0991  202.565   21.043    220.438   29.439    183.892   30.090    39.754  2.7823  36.094  3.1439  3.660355       4.198196 
1 1 1 14  5   31 o 13.006  2.8315  24.676    11.049    18.115    15.400    31.635    15.861    11.524  4.0385  14.488  3.9698  -2.964272      5.662927 
1 1 1 14  5   32 o 14.410  4.1339  31.760    16.786    0.0000    0.0000    31.760    16.786    ?       ?       14.410  4.1339  ?              ?        
1 1 1 14  5   33 o 34.554  2.2091  172.000   20.169    184.588   28.490    159.354   28.555    35.932  2.9873  33.176  3.2553  2.755753       4.418298 
1 1 1 14  5   34 o 8.8981  2.4886  -3.7653   10.941    20.989    15.577    -27.8706  15.371    11.948  4.0672  5.8481  2.8691  6.100017       4.977281 
1 1 1 14  5   35 o 16.401  2.9548  43.535    13.436    56.211    18.768    30.207    19.244    19.062  3.8092  13.741  4.5180  5.321173       5.909523 
1 1 1 14  5   36 o 14.360  3.0960  34.502    13.121    39.160    18.216    29.480    18.916    15.362  4.2721  13.358  4.4823  2.003901       6.192072 
1 1 1 14  6   0  o 84.092  2.1046  948.691   47.383    977.047   66.801    919.979   67.221    85.359  2.9218  82.825  3.0301  2.534386       4.209277 
1 1 1 14  6   1  o 184.272 3.6552  4570.03   180.215   4804.83   254.520   4333.96   255.205   189.043 5.0266  179.501 5.3080  9.542221       7.310395 
1 1 1 14  6   2  o 206.707 4.0319  5755.11   223.078   5990.25   315.127   5518.92   315.835   210.965 5.5768  202.449 5.8245  8.515381       8.063809 
1 1 1 14  6   3  o 134.551 2.8870  2431.38   104.044   2443.81   146.804   2418.84   147.477   134.899 4.0630  134.204 4.1027  0.6947784      5.774072 
1 1 1 14  6   4  o 89.758  2.2492  1080.83   54.068    1059.29   76.229    1102.65   76.702    88.857  3.2028  90.660  3.1587  -1.802460      4.498380 
1 1 1 14  6   5  o 45.104  1.7719  273.754   21.296    257.662   30.034    290.025   30.201    43.761  2.5737  46.447  2.4360  -2.686337      3.543763 
1 1 1 14  6   6  o 79.587  2.1142  849.704   45.070    847.844   63.775    851.559   63.702    79.500  2.9950  79.675  2.9850  -0.1744461     4.228490 
1 1 1 14  6   7  o 114.407 2.6116  1757.50   80.029    1752.70   113.366   1762.28   112.991   114.250 3.7046  114.563 3.6822  -0.3135071     5.223265 
1 1 1 14  6   8  o 87.736  2.2167  1032.93   52.089    1025.37   73.854    1040.41   73.479    87.416  3.1542  88.056  3.1154  -0.6407013     4.433373 
1 1 1 14  6   9  o 187.571 3.7613  4738.80   188.964   4786.32   267.513   4691.47   266.959   188.514 5.2980  186.628 5.3405  1.885559       7.522585 
1 1 1 14  6   10 o 234.664 4.5811  7440.77   287.940   7447.42   407.343   7434.14   407.074   234.769 6.4778  234.559 6.4794  0.2097778      9.162131 
1 1 1 14  6   11 o 85.881  2.2049  989.959   50.718    992.690   71.883    987.253   71.570    85.998  3.1207  85.763  3.1156  0.2355270      4.409703 
1 1 1 14  6   12 o 95.054  4.5296  1216.41   115.325   1216.41   115.325   0.0000    0.0000    95.054  4.5296  ?       ?       ?              ?        
1 1 1 14  6   13 o 70.459  2.6265  673.321   45.534    657.115   81.660    680.633   54.853    69.714  4.3958  71.203  2.8762  -1.489532      5.253088 
1 1 1 14  6   14 o 190.110 3.8251  4889.88   194.763   4955.55   275.445   4824.21   275.428   191.400 5.3729  188.820 5.4459  2.579163       7.650188 
1 1 1 14  6   15 o 101.571 2.4139  1388.35   65.670    1376.59   92.777    1400.16   92.965    101.138 3.4248  102.004 3.4026  -0.8653946     4.827751 
1 1 1 14  6   16 o 77.401  2.1262  805.934   44.079    796.928   62.218    815.010   62.456    76.965  3.0181  77.836  2.9958  -0.8708496     4.252451 
1 1 1 14  6   17 o 114.087 2.6149  1757.61   79.900    1729.63   112.801   1785.78   113.191   113.170 3.7213  115.004 3.6746  -1.833984      5.229783 
1 1 1 14  6   18 o 30.854  1.8463  129.060   15.077    118.026   21.108    140.553   21.544    29.485  2.7028  32.224  2.5160  -2.738796      3.692620 
1 1 1 14  6   19 o 44.893  1.8603  272.503   22.263    263.292   31.320    281.911   31.652    44.118  2.6629  45.668  2.5984  -1.549221      3.720581 
1 1 1 14  6   20 o 27.147  1.9848  101.192   14.036    83.887    19.760    118.815   19.941    24.721  3.0489  29.574  2.5421  -4.853310      3.969640 
1 1 1 14  6   21 o 9.0372  2.3976  8.3030    7.8514    8.3114    11.292    8.2950    10.924    9.0822  3.4165  8.9922  3.3648  0.8998966E-01  4.795244 
1 1 1 14  6   22 o 32.939  1.9134  147.768   16.709    137.930   23.352    158.090   23.919    31.795  2.7697  34.083  2.6407  -2.287174      3.826829 
1 1 1 14  6   23 o 33.985  2.6068  157.244   21.222    166.376   39.494    153.536   25.164    34.449  4.3792  33.521  2.8291  0.9285126      5.213513 
1 1 1 14  6   24 o 45.148  1.9589  277.976   23.550    261.617   33.038    294.872   33.577    43.775  2.8330  46.522  2.7063  -2.746777      3.917879 
1 1 1 14  6   25 o 21.995  2.2246  67.469    12.717    71.445    18.103    63.595    17.869    22.669  3.0596  21.321  3.2302  1.348562       4.449138 
1 1 1 14  6   26 f 14.782  2.6485  31.409    10.545    36.082    15.133    26.998    14.701    15.838  3.6432  13.727  3.8451  2.110744       5.296974 
1 1 1 14  6   27 o 31.000  2.0714  133.939   16.800    112.563   23.665    155.659   23.854    28.385  3.1666  33.616  2.6714  -5.230457      4.142884 
1 1 1 14  6   28 o 40.892  2.0448  232.004   22.222    217.092   31.132    247.497   31.731    39.511  2.9633  42.273  2.8186  -2.762028      4.089687 
1 1 1 14  6   29 o 9.1956  2.5467  7.2766    9.3259    2.2286    13.245    12.240    13.133    8.2935  3.4943  10.098  3.7058  -1.804247      5.093413 
1 1 1 14  6   30 o 8.4844  2.4717  3.2212    9.3995    -3.8273   13.750    9.4046    12.879    7.5445  3.3620  9.4243  3.6240  -1.879723      4.943324 
1 1 1 14  6   31 o 9.4182  3.7536  8.1303    14.238    0.0000    0.0000    8.1303    14.238    ?       ?       9.4182  3.7536  ?              ?        
1 1 1 14  6   32 o 23.938  2.5981  85.663    15.871    101.248   22.340    69.783    22.551    26.453  3.2193  21.423  4.0789  5.029993       5.196273 
1 1 1 14  6   33 o 8.7326  2.5295  1.5076    10.119    14.567    15.000    -9.3993   13.708    10.643  3.9506  6.8220  3.1601  3.821110       5.059025 
1 1 1 14  6   34 o 13.708  2.8326  28.264    12.312    45.681    17.402    10.810    17.421    17.158  3.8778  10.258  4.1300  6.899683       5.665149 
1 1 1 14  6   35 o 10.775  2.5845  9.5458    11.307    34.673    16.281    -13.8668  15.715    14.678  4.0220  6.8719  3.2468  7.806032       5.168951 
1 1 1 14  7   0  o 319.641 5.9954  13849.25  512.823   14528.06  725.190   13170.25  725.293   327.571 8.2653  311.711 8.6871  15.85992       11.99083 
1 1 1 14  7   1  o 127.872 2.7564  2202.41   93.975    2439.37   132.708   1964.06   133.095   134.811 3.6752  120.933 4.1089  13.87847       5.512763 
1 1 1 14  7   2  o 230.324 4.4506  7158.70   274.215   7566.43   387.556   6749.95   388.042   236.943 6.1066  223.706 6.4761  13.23672       8.901165 
1 1 1 14  7   3  o 95.142  2.2854  1214.63   58.235    1226.89   82.042    1202.17   82.674    95.628  3.2030  94.656  3.2609  0.9712830      4.570846 
1 1 1 14  7   4  o 138.655 2.9236  2582.66   108.579   2586.92   153.314   2578.38   153.794   138.771 4.1247  138.539 4.1446  0.2313995      5.847288 
1 1 1 14  7   5  o 100.543 2.4154  1356.76   65.047    1361.22   91.889    1352.28   92.092    100.709 3.4065  100.377 3.4253  0.3325500      4.830842 
1 1 1 14  7   6  o 209.537 4.1036  5917.65   230.304   5978.58   325.764   5856.78   325.634   210.621 5.7745  208.452 5.8322  2.169586       8.207276 
1 1 1 14  7   7  o 130.687 2.8309  2294.40   99.091    2322.15   140.367   2266.82   139.906   131.476 3.9859  129.897 4.0211  1.579422       5.661897 
1 1 1 14  7   8  o 114.825 2.5881  1770.49   79.591    1801.40   112.843   1739.90   112.277   115.823 3.6374  113.826 3.6827  1.997971       5.176158 
1 1 1 14  7   9  o 141.022 3.0123  2673.71   113.783   2679.35   161.154   2668.11   160.674   141.170 4.2620  140.874 4.2582  0.2960205      6.024680 
1 1 1 14  7   10 o 142.292 3.0365  2723.23   115.726   2753.35   163.855   2693.24   163.469   143.080 4.2756  141.504 4.3130  1.575836       6.073068 
1 1 1 14  7   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  7   12 o 50.119  1.8612  337.994   24.895    339.980   35.521    336.077   34.901    50.262  2.6478  49.975  2.6164  0.2871132      3.722445 
1 1 1 14  7   13 o 66.735  2.0046  598.115   35.830    603.598   50.836    592.702   50.509    67.039  2.8311  66.431  2.8386  0.6083145      4.009123 
1 1 1 14  7   14 o 67.747  2.0184  616.868   36.604    643.796   51.958    590.333   51.577    69.220  2.8024  66.275  2.9055  2.944527       4.036725 
1 1 1 14  7   15 o 13.874  2.4632  27.205    9.3608    18.640    13.507    35.121    12.985    11.872  3.7755  15.877  3.1645  -4.005257      4.926341 
1 1 1 14  7   16 o 76.800  2.1465  794.442   44.141    769.255   62.319    819.799   62.530    75.572  3.0787  78.028  2.9919  -2.455673      4.293040 
1 1 1 14  7   17 o 59.539  1.9402  477.506   30.924    458.544   43.663    496.591   43.804    58.346  2.7939  60.731  2.6929  -2.384727      3.880396 
1 1 1 14  7   18 o 28.831  1.8969  113.027   14.475    115.638   20.394    110.377   20.547    29.176  2.6383  28.486  2.7263  0.6907368      3.793831 
1 1 1 14  7   19 o 31.234  1.8891  132.753   15.621    123.930   22.105    141.553   22.078    30.172  2.7660  32.295  2.5736  -2.123243      3.778152 
1 1 1 14  7   20 o 43.626  1.9094  258.321   22.185    246.830   31.375    269.810   31.373    42.639  2.7620  44.613  2.6372  -1.974178      3.818862 
1 1 1 14  7   21 o 50.283  2.7616  343.336   37.051    343.336   37.051    0.0000    0.0000    50.283  2.7616  ?       ?       ?              ?        
1 1 1 14  7   22 o 36.279  1.9433  179.571   18.695    164.796   26.307    194.647   26.574    34.737  2.8526  37.821  2.6398  -3.083588      3.886573 
1 1 1 14  7   23 o 43.295  1.9595  255.782   22.540    232.758   31.638    279.513   32.120    41.276  2.8797  45.313  2.6581  -4.036884      3.918942 
1 1 1 14  7   24 o 28.214  2.0950  109.820   15.581    114.115   21.950    105.458   22.120    28.797  2.8846  27.631  3.0391  1.166004       4.190097 
1 1 1 14  7   25 o 13.376  2.5051  24.925    10.103    40.714    14.226    8.8608    14.350    16.943  3.2531  9.8092  3.8105  7.133999       5.010239 
1 1 1 14  7   26 o 15.179  2.6060  33.335    10.636    25.037    14.900    41.957    15.187    13.241  3.9225  17.117  3.4320  -3.876633      5.211961 
1 1 1 14  7   27 o 27.539  2.1853  106.097   15.824    99.936    21.982    112.725   22.797    26.684  3.1353  28.394  3.0451  -1.710293      4.370651 
1 1 1 14  7   28 o 15.540  2.6266  35.783    11.425    18.289    16.111    53.479    16.204    11.759  4.1302  19.321  3.2462  -7.562572      5.253221 
1 1 1 14  7   29 o 24.621  2.3339  86.946    14.979    92.268    21.272    81.712    21.097    25.430  3.1934  23.813  3.4045  1.617132       4.667821 
1 1 1 14  7   30 o 45.289  3.0809  290.816   37.150    0.0000    0.0000    290.816   37.150    ?       ?       45.289  3.0809  ?              ?        
1 1 1 14  7   31 f 10.799  2.5496  10.568    10.544    -8.3904   14.577    31.372    15.270    7.2180  3.3128  14.380  3.8764  -7.162366      5.099144 
1 1 1 14  7   32 o 11.653  2.9049  18.309    11.658    10.540    16.524    26.008    16.450    10.191  4.0494  13.115  4.1662  -2.924317      5.809881 
1 1 1 14  7   33 o 18.033  2.7670  51.757    13.994    20.633    19.669    83.663    19.915    12.162  4.5221  23.903  3.1901  -11.74123      5.534048 
1 1 1 14  7   34 o 11.705  2.9257  19.915    11.674    13.771    16.342    26.317    16.682    10.495  4.0694  12.915  4.2047  -2.419885      5.851388 
1 1 1 14  8   0  o 74.655  1.9868  748.053   39.685    785.873   56.008    709.921   56.239    76.555  2.7314  72.756  2.8859  3.798691       3.973521 
1 1 1 14  8   1  o 91.303  2.2318  1119.88   54.490    1188.18   76.799    1050.64   77.325    94.116  3.0465  88.491  3.2624  5.625290       4.463660 
1 1 1 14  8   2  o 172.599 3.4842  4008.27   161.006   4132.78   227.270   3882.83   228.127   175.304 4.8402  169.894 5.0131  5.409424       6.968410 
1 1 1 14  8   3  o 119.011 2.6325  1901.49   83.903    1857.29   118.162   1946.44   119.157   117.614 3.7509  120.408 3.6947  -2.794258      5.264937 
1 1 1 14  8   4  f 134.078 2.8949  2415.12   103.944   2358.11   146.711   2472.57   147.290   132.485 4.1343  135.671 4.0532  -3.185745      5.789741 
1 1 1 14  8   5  o 211.787 4.1720  6046.42   236.663   6036.65   334.592   6056.19   334.792   211.615 5.9031  211.959 5.8970  -0.3436737     8.343957 
1 1 1 14  8   6  o 255.929 4.9497  8855.64   339.299   8900.82   479.891   8810.48   479.791   256.588 6.9826  255.270 7.0172  1.317490       9.899379 
1 1 1 14  8   7  o 124.666 2.7535  2087.89   91.940    2073.73   130.127   2102.00   129.919   124.242 3.9103  125.090 3.8776  -0.8470764     5.506928 
1 1 1 14  8   8  o 131.445 2.8704  2322.89   101.023   2255.68   143.034   2389.79   142.704   129.540 4.1224  133.350 3.9953  -3.810043      5.740783 
1 1 1 14  8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  8   10 o 97.599  2.3938  1280.06   62.556    1247.06   88.782    1312.61   88.157    96.344  3.4404  98.853  3.3295  -2.509613      4.787674 
1 1 1 14  8   11 o 208.883 4.1762  5906.98   233.648   5874.91   330.575   5939.00   330.282   208.309 5.9248  209.456 5.8871  -1.147476      8.352315 
1 1 1 14  8   12 o 101.161 2.4433  1376.69   66.187    1415.88   93.748    1337.75   93.458    102.603 3.4112  99.721  3.4990  2.882027       4.886673 
1 1 1 14  8   13 o 133.057 2.8805  2389.76   102.510   2544.56   145.286   2236.30   144.658   137.379 3.9483  128.734 4.1953  8.645477       5.761041 
1 1 1 14  8   14 o 50.951  1.9005  349.934   25.842    355.865   36.581    344.026   36.512    51.386  2.6669  50.517  2.7083  0.8692780      3.801012 
1 1 1 14  8   15 o 27.100  1.9161  99.752    13.720    100.882   19.613    98.668    19.198    27.250  2.7237  26.950  2.6957  0.2996197      3.832166 
1 1 1 14  8   16 o 101.930 2.4526  1404.12   66.945    1440.46   94.789    1367.96   94.561    103.257 3.4273  100.604 3.5092  2.653488       4.905167 
1 1 1 14  8   17 o 66.070  2.0183  588.909   35.716    589.996   50.583    587.829   50.439    66.130  2.8557  66.009  2.8528  0.1210556      4.036534 
1 1 1 14  8   18 o 45.795  1.8967  284.092   23.149    295.519   32.750    272.682   32.725    46.729  2.6272  44.861  2.7365  1.867943       3.793499 
1 1 1 14  8   19 o 85.499  2.2445  991.654   51.375    1025.49   72.605    957.724   72.707    86.979  3.1165  84.019  3.2308  2.960632       4.488931 
1 1 1 14  8   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  8   21 o 51.435  1.9758  359.780   27.110    349.283   38.295    370.324   38.383    50.670  2.8330  52.200  2.7550  -1.529976      3.951686 
1 1 1 14  8   22 o 52.978  2.0071  382.398   28.377    379.046   39.948    385.812   40.317    52.743  2.8382  53.213  2.8389  -0.4697647     4.014297 
1 1 1 14  8   23 o 13.541  2.6664  25.670    10.143    32.201    14.832    19.932    13.902    15.001  3.7117  12.082  3.8292  2.919355       5.332821 
1 1 1 14  8   24 o 17.367  2.4868  43.020    11.171    43.854    15.808    42.187    15.788    17.547  3.4863  17.188  3.5471  0.3589363      4.973570 
1 1 1 14  8   25 o 22.004  2.3815  68.967    13.287    87.187    19.052    51.714    18.539    25.055  2.8921  18.953  3.7844  6.102156       4.762976 
1 1 1 14  8   26 o 20.236  2.5302  59.144    13.107    70.880    18.621    47.618    18.453    22.411  3.1924  18.062  3.9263  4.348513       5.060371 
1 1 1 14  8   27 o 11.999  2.7360  19.563    10.389    27.601    14.765    11.683    14.620    13.727  3.8563  10.271  3.8822  3.456431       5.471987 
1 1 1 14  8   28 o 52.988  2.0934  392.965   29.581    378.294   41.365    408.321   42.319    51.954  2.9851  54.021  2.9357  -2.067078      4.186778 
1 1 1 14  8   29 o 39.154  3.0472  216.946   31.705    0.0000    0.0000    216.946   31.705    ?       ?       39.154  3.0472  ?              ?        
1 1 1 14  8   30 o 21.036  2.6320  65.667    14.276    69.901    20.305    61.527    20.075    21.781  3.6066  20.290  3.8344  1.491028       5.264061 
1 1 1 14  8   31 o 17.832  2.8859  48.768    13.495    51.662    19.060    45.859    19.110    18.425  3.9786  17.240  4.1814  1.185528       5.771826 
1 1 1 14  8   32 o 18.630  2.9442  54.110    14.392    64.167    20.580    44.484    20.134    20.524  3.8860  16.737  4.4242  3.786549       5.888490 
1 1 1 14  8   33 o 13.387  2.9605  27.850    12.266    37.681    17.366    18.065    17.326    15.373  4.1297  11.401  4.2432  3.971409       5.921072 
1 1 1 14  9   0  o 111.933 2.5184  1685.71   75.260    1836.44   106.210   1533.70   106.660   116.982 3.3897  106.883 3.7256  10.09877       5.036871 
1 1 1 14  9   1  o 57.287  1.8453  440.153   28.307    450.482   39.937    429.726   40.127    57.963  2.5724  56.610  2.6464  1.352978       3.690597 
1 1 1 14  9   2  o 41.974  1.8190  237.573   20.305    253.608   28.564    221.194   28.869    43.422  2.4661  40.526  2.6746  2.896461       3.638047 
1 1 1 14  9   3  f 64.656  1.9709  560.504   34.123    542.342   47.855    579.288   48.669    63.590  2.8096  65.722  2.7647  -2.131828      3.941761 
1 1 1 14  9   4  o 131.433 2.8646  2321.14   100.797   2231.48   142.197   2411.69   142.903   128.874 4.1194  133.991 3.9818  -5.116928      5.729207 
1 1 1 14  9   5  o 178.658 3.6487  4297.47   174.593   4348.38   246.847   4246.51   246.976   179.723 5.1278  177.594 5.1920  2.129227       7.297394 
1 1 1 14  9   6  o 120.725 2.6905  1958.78   86.922    1860.29   122.749   2057.85   123.104   117.671 3.8946  123.779 3.7131  -6.108490      5.380968 
1 1 1 14  9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  9   8  o 29.240  2.8569  125.963   18.553    99.353    35.109    136.274   21.854    26.713  5.0927  31.767  2.5909  -5.053951      5.713887 
1 1 1 14  9   9  o 123.083 2.7722  2037.76   91.381    2079.33   129.538   1996.58   128.929   124.337 3.8896  121.829 3.9510  2.507721       5.544334 
1 1 1 14  9   10 o 213.762 4.2349  6195.31   242.275   5909.84   342.619   6480.82   342.637   208.776 6.1269  218.749 5.8479  -9.972305      8.469773 
1 1 1 14  9   11 o 68.044  2.0436  622.234   37.233    606.284   52.771    638.046   52.542    67.172  2.9330  68.916  2.8464  -1.743683      4.087128 
1 1 1 14  9   12 o 112.403 2.6075  1702.40   78.502    1711.67   111.235   1693.20   110.803   112.708 3.6846  112.097 3.6904  0.6108246      5.214917 
1 1 1 14  9   13 o 73.832  2.1085  733.490   41.691    750.757   59.180    716.479   58.742    74.698  2.9578  72.967  3.0056  1.730736       4.216920 
1 1 1 14  9   14 o 54.988  1.9258  406.860   28.364    407.362   40.238    406.364   39.988    55.021  2.7304  54.955  2.7167  0.6615448E-01  3.851638 
1 1 1 14  9   15 o 136.741 2.9627  2538.05   108.507   2514.49   153.432   2561.63   153.473   136.098 4.2090  137.385 4.1707  -1.286606      5.925354 
1 1 1 14  9   16 o 39.093  1.8920  206.956   19.690    210.331   27.915    203.614   27.777    39.414  2.6598  38.771  2.6914  0.6422997      3.783984 
1 1 1 14  9   17 o 50.524  1.9436  345.648   26.200    353.663   37.183    337.745   36.923    51.112  2.7258  49.936  2.7714  1.175934       3.887265 
1 1 1 14  9   18 o 12.760  2.4612  21.891    9.1885    34.037    13.383    11.058    12.638    15.548  3.3147  9.9719  3.6390  5.576540       4.922311 
1 1 1 14  9   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  9   20 o 45.370  1.9598  280.064   23.689    290.598   33.558    269.601   33.446    46.236  2.7217  44.504  2.8204  1.731960       3.919502 
1 1 1 14  9   21 o 12.186  2.5572  20.572    9.2337    13.650    13.413    26.807    12.731    10.634  3.7652  13.738  3.4613  -3.103797      5.114379 
1 1 1 14  9   22 o 11.768  2.4078  16.607    9.4162    0.3410    13.113    33.926    13.530    8.0865  3.4449  15.450  3.3649  -7.363171      4.815600 
1 1 1 14  9   23 o 41.077  2.0234  231.730   22.095    219.706   31.312    243.652   31.181    39.982  2.9447  42.173  2.7759  -2.191586      4.046782 
1 1 1 14  9   24 o 21.678  2.3183  66.281    12.990    73.137    18.474    59.575    18.269    22.866  3.0960  20.491  3.4514  2.374668       4.636529 
1 1 1 14  9   25 o 30.320  2.1571  128.117   17.276    132.003   24.667    124.376   24.202    30.783  3.0310  29.857  3.0701  0.9254627      4.314230 
1 1 1 14  9   26 o 12.733  2.7627  22.933    10.557    16.388    14.812    29.689    15.049    11.242  3.9592  14.224  3.8542  -2.981786      5.525453 
1 1 1 14  9   27 o 40.316  2.0761  227.688   22.254    232.724   31.251    222.507   31.698    40.805  2.8778  39.827  2.9933  0.9776154      4.152262 
1 1 1 14  9   28 o 7.8020  3.4291  -2.0132   13.832    0.0000    0.0000    -2.0132   13.832    ?       ?       7.8020  3.4291  ?              ?        
1 1 1 14  9   29 o 17.711  2.8308  47.476    13.115    49.100    18.392    45.796    18.706    18.065  3.9141  17.356  4.0907  0.7086048      5.661676 
1 1 1 14  9   30 o 6.8814  2.2361  -8.5850   9.4998    -12.5662  13.486    -4.6642   13.384    6.4709  3.0421  7.2920  3.2781  -0.8211098     4.472219 
1 1 1 14  9   31 o 14.713  3.0574  33.809    12.850    32.508    18.022    35.155    18.327    14.442  4.3220  14.984  4.3255  -0.5418816     6.114717 
1 1 1 14  9   32 f 15.010  2.9769  35.082    13.251    51.825    19.173    19.771    18.335    18.187  4.0408  11.832  4.3726  6.355297       5.953807 
1 1 1 14  10  0  o 144.935 3.0220  2825.68   117.142   2993.25   165.324   2656.73   166.007   149.270 4.1350  140.600 4.4081  8.670700       6.043953 
1 1 1 14  10  1  o 75.216  2.0436  759.251   41.148    784.029   57.950    734.056   58.437    76.457  2.8298  73.976  2.9493  2.481422       4.087257 
1 1 1 14  10  2  o 198.671 3.8841  5317.62   206.612   5466.46   291.709   5167.79   292.680   201.479 5.4054  195.863 5.5789  5.616333       7.768102 
1 1 1 14  10  3  o 172.721 3.5164  4014.86   162.671   4045.65   229.585   3983.82   230.521   173.391 4.9434  172.051 5.0022  1.339874       7.032759 
1 1 1 14  10  4  o 189.499 3.7926  4837.85   192.498   4851.07   271.942   4824.58   272.527   189.761 5.3503  189.237 5.3767  0.5243073      7.585148 
1 1 1 14  10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  10  6  o 105.933 3.2719  1545.15   85.312    1427.05   150.897   1600.63   103.428   102.707 5.5052  109.159 3.5374  -6.452209      6.543794 
1 1 1 14  10  7  o 50.811  1.9233  347.483   26.076    342.300   36.989    352.602   36.764    50.430  2.7488  51.191  2.6907  -0.7607231     3.846536 
1 1 1 14  10  8  o 130.595 2.8655  2295.95   100.199   2370.02   141.938   2222.38   141.467   132.704 3.9933  128.485 4.1107  4.218384       5.730948 
1 1 1 14  10  9  o 165.108 3.4076  3681.03   150.686   3743.55   213.383   3618.84   212.821   166.516 4.7843  163.700 4.8538  2.816422       6.815280 
1 1 1 14  10  10 o 84.754  2.2411  965.959   50.877    968.779   72.042    963.154   71.859    84.877  3.1689  84.630  3.1700  0.2469254      4.482298 
1 1 1 14  10  11 o 92.458  2.3500  1150.83   58.191    1173.38   82.622    1128.62   81.972    93.360  3.3040  91.556  3.3426  1.803535       4.699990 
1 1 1 14  10  12 o 44.316  1.9279  265.402   22.703    290.994   32.308    240.437   31.909    46.452  2.6072  42.181  2.8408  4.271053       3.855894 
1 1 1 14  10  13 o 34.778  1.8868  163.689   17.439    167.757   24.782    159.699   24.543    35.212  2.6470  34.345  2.6895  0.8666573      3.773604 
1 1 1 14  10  14 o 87.059  2.2620  1023.36   52.742    1042.94   74.793    1003.99   74.386    87.892  3.1770  86.225  3.2208  1.666344       4.524097 
1 1 1 14  10  15 f 84.258  2.2593  959.974   50.987    970.578   72.260    949.459   71.954    84.725  3.1842  83.792  3.2060  0.9323196      4.518582 
1 1 1 14  10  16 o 39.984  1.9164  216.982   20.382    207.548   28.943    226.264   28.708    39.104  2.7815  40.864  2.6369  -1.759907      3.832754 
1 1 1 14  10  17 o 87.810  2.3171  1046.82   54.469    1087.68   77.116    1006.14   76.945    89.542  3.2154  86.077  3.3373  3.464500       4.634271 
1 1 1 14  10  18 o 46.611  3.6143  297.942   44.770    0.0000    0.0000    297.942   44.770    ?       ?       46.611  3.6143  ?              ?        
1 1 1 14  10  19 o 32.079  1.9710  140.481   16.763    144.699   23.855    136.367   23.560    32.564  2.7610  31.594  2.8136  0.9696121      3.941984 
1 1 1 14  10  20 o 34.219  1.9964  160.053   18.129    165.799   25.814    154.461   25.465    34.837  2.7899  33.601  2.8566  1.236023       3.992897 
1 1 1 14  10  21 o 25.507  2.1302  89.870    14.268    92.445    20.444    87.425    19.922    25.869  3.0067  25.145  3.0184  0.7240810      4.260337 
1 1 1 14  10  22 o 33.276  2.0243  152.303   17.863    154.279   25.126    150.283   25.402    33.507  2.8260  33.045  2.8992  0.4613800      4.048654 
1 1 1 14  10  23 o 25.684  2.1872  91.987    14.711    85.463    20.699    98.645    20.912    24.716  3.2019  26.652  2.9803  -1.935871      4.374328 
1 1 1 14  10  24 o 10.348  2.6951  12.190    9.9823    7.8559    14.609    15.986    13.672    9.6308  3.8136  11.065  3.8093  -1.433786      5.390175 
1 1 1 14  10  25 o 40.496  2.0909  228.384   22.497    240.879   31.903    216.023   31.731    41.644  2.8778  39.348  3.0341  2.295780       4.181814 
1 1 1 14  10  26 o 23.390  2.4751  78.871    15.010    76.667    21.565    80.942    20.904    23.014  3.6178  23.767  3.3788  -0.7537289     4.950245 
1 1 1 14  10  27 o 11.470  2.8211  17.628    10.792    12.692    15.541    22.226    14.997    10.533  3.9975  12.407  3.9819  -1.873908      5.642291 
1 1 1 14  10  28 o 26.107  2.3879  98.393    16.303    96.067    22.796    100.828   23.325    25.784  3.3824  26.430  3.3717  -0.6452904     4.775841 
1 1 1 14  10  29 o 23.040  2.5553  78.142    15.236    81.563    21.495    74.689    21.598    23.615  3.5047  22.465  3.7196  1.149904       5.110573 
1 1 1 14  10  30 o 12.116  3.0124  20.907    12.141    22.771    17.236    19.071    17.106    12.476  4.2781  11.757  4.2422  0.7194109      6.024780 
1 1 1 14  10  31 o 16.035  3.0216  40.645    13.704    55.144    19.740    27.156    19.039    18.817  4.0374  13.253  4.4966  5.564338       6.043191 
1 1 1 14  11  0  o 55.997  1.8513  420.572   27.759    407.674   39.224    433.513   39.289    55.136  2.6560  56.859  2.5798  -1.722664      3.702668 
1 1 1 14  11  1  o 71.391  1.9946  683.534   38.137    668.668   53.590    698.788   54.285    70.604  2.8337  72.178  2.8079  -1.573700      3.989295 
1 1 1 14  11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  11  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  11  4  o 111.080 2.5474  1657.96   75.743    1584.07   106.777   1732.79   107.460   108.582 3.6714  113.579 3.5323  -4.996414      5.094736 
1 1 1 14  11  5  o 29.237  1.9651  116.028   15.120    129.615   21.475    102.671   21.292    30.972  2.6130  27.502  2.9359  3.470657       3.930300 
1 1 1 14  11  6  o 146.534 3.1281  2892.64   122.759   2945.55   173.583   2839.70   173.632   147.883 4.3823  145.186 4.4650  2.697250       6.256207 
1 1 1 14  11  7  o 133.303 2.9608  2393.91   105.716   2393.92   149.523   2393.90   149.488   133.303 4.1877  133.303 4.1868  0.3967285E-03  5.921662 
1 1 1 14  11  8  o 79.783  2.1901  855.685   46.798    843.786   66.262    867.528   66.103    79.227  3.1225  80.339  3.0719  -1.111710      4.380266 
1 1 1 14  11  9  o 61.895  2.0143  514.839   33.391    524.980   47.523    504.952   46.927    62.498  2.8389  61.293  2.8584  1.205250       4.028628 
1 1 1 14  11  10 o 91.173  2.3416  1119.53   57.177    1142.91   81.128    1096.45   80.595    92.123  3.2879  90.224  3.3350  1.898933       4.683224 
1 1 1 14  11  11 o 29.407  1.9257  117.511   14.899    133.296   21.296    102.375   20.853    31.384  2.5556  27.430  2.8813  3.953066       3.851347 
1 1 1 14  11  12 o 75.485  2.1561  768.165   43.589    784.315   61.864    752.243   61.426    76.276  3.0280  74.694  3.0703  1.582672       4.312283 
1 1 1 14  11  13 f 43.395  1.8995  254.901   21.949    243.680   31.162    265.949   30.921    42.432  2.7568  44.359  2.6140  -1.926674      3.799097 
1 1 1 14  11  14 o 83.744  2.2747  948.817   51.022    945.661   72.351    951.938   71.962    83.602  3.2310  83.886  3.2027  -0.2844238     4.549382 
1 1 1 14  11  15 o 16.998  2.3730  41.196    10.381    31.134    14.902    50.682    14.469    14.845  3.7473  19.151  2.9126  -4.305574      4.746049 
1 1 1 14  11  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  11  17 o 27.634  2.0502  104.676   14.821    121.089   21.301    89.274    20.634    29.799  2.6980  25.470  3.0878  4.328989       4.100434 
1 1 1 14  11  18 o 10.328  2.5592  12.946    8.7494    14.219    12.612    11.765    12.148    10.646  3.6590  10.011  3.5791  0.6351633      5.118454 
1 1 1 14  11  19 o 55.617  2.0442  421.233   30.347    448.491   43.119    394.480   42.717    57.466  2.8013  53.768  2.9777  3.697742       4.088337 
1 1 1 14  11  20 o 20.576  2.3472  59.256    12.477    64.236    18.015    54.664    17.298    21.445  3.2370  19.708  3.3999  1.737759       4.694396 
1 1 1 14  11  21 o 20.068  2.4110  56.943    12.420    66.758    17.830    47.691    17.311    21.862  3.1347  18.275  3.6640  3.587059       4.821977 
1 1 1 14  11  22 o 17.493  2.6066  44.095    11.830    40.774    16.817    47.349    16.643    16.790  3.8249  18.197  3.5422  -1.406374      5.213152 
1 1 1 14  11  23 o 19.006  2.5870  52.046    12.690    49.851    17.935    54.246    17.956    18.569  3.7353  19.442  3.5800  -0.8728161     5.173910 
1 1 1 14  11  24 o 24.342  2.3869  84.375    15.106    79.258    21.516    89.348    21.214    23.542  3.5203  25.143  3.2243  -1.600721      4.773762 
1 1 1 14  11  25 o 35.460  3.0920  176.855   29.073    176.855   29.073    0.0000    0.0000    35.460  3.0920  ?       ?       ?              ?        
1 1 1 14  11  26 o 17.931  2.8085  48.046    13.123    47.714    19.006    48.348    18.142    17.831  4.0693  18.032  3.8718  -0.2016888     5.616970 
1 1 1 14  11  27 o 26.512  2.4076  101.575   16.609    90.799    23.378    112.558   23.601    24.962  3.6006  28.061  3.1971  -3.099209      4.815167 
1 1 1 14  11  28 o 25.107  2.4886  92.219    16.195    99.316    22.623    84.759    23.194    26.239  3.2913  23.974  3.7335  2.265051       4.977109 
1 1 1 14  11  29 o 15.905  3.0723  39.493    13.462    38.466    19.083    40.510    18.993    15.692  4.3757  16.119  4.3140  -0.4277267     6.144671 
1 1 1 14  11  30 o 18.526  2.9520  53.966    14.362    62.978    20.406    45.119    20.218    20.262  3.9015  16.790  4.4311  3.472141       5.903924 
1 1 1 14  12  0  o 121.171 3.1746  1935.02   97.764    2099.65   170.233   1854.00   119.421   124.865 5.0900  117.478 3.7952  7.386986       6.349128 
1 1 1 14  12  1  o 97.835  2.3306  1285.37   61.059    1307.78   85.943    1262.53   86.763    98.700  3.2509  96.971  3.3405  1.729362       4.661239 
1 1 1 14  12  2  o 77.207  2.1007  799.945   43.440    788.057   61.096    812.098   61.776    76.627  2.9768  77.787  2.9650  -1.160706      4.201471 
1 1 1 14  12  3  o 170.241 3.4470  3906.05   157.160   3830.70   221.668   3982.21   222.854   168.583 4.9091  171.900 4.8401  -3.317017      6.893909 
1 1 1 14  12  4  o 46.317  1.9162  288.973   23.660    297.350   33.464    280.600   33.455    46.995  2.6696  45.640  2.7496  1.354794       3.832315 
1 1 1 14  12  5  o 43.414  1.9093  253.992   22.092    251.942   31.087    256.083   31.401    43.237  2.6978  43.592  2.7027  -0.3546143     3.818688 
1 1 1 14  12  6  f 112.943 2.6111  1717.57   78.942    1644.03   111.402   1791.76   111.882   110.503 3.7638  115.384 3.6202  -4.880981      5.222251 
1 1 1 14  12  7  o 67.428  2.0696  611.114   37.378    610.779   52.865    611.448   52.855    67.409  2.9279  67.446  2.9258  -0.3707886E-01 4.139171 
1 1 1 14  12  8  o 119.980 2.7306  1942.12   87.739    1906.08   124.089   1978.16   124.074   118.858 3.8977  121.102 3.8251  -2.243141      5.461120 
1 1 1 14  12  9  o 124.333 2.8330  2089.15   94.345    2095.49   133.585   2082.84   133.263   124.521 4.0052  124.144 4.0077  0.3770065      5.665949 
1 1 1 14  12  10 o 49.910  1.9383  336.263   25.802    347.933   36.644    324.786   36.339    50.776  2.7040  49.043  2.7777  1.733307       3.876542 
1 1 1 14  12  11 o 38.794  1.9425  203.617   20.041    213.958   28.688    193.760   28.009    39.766  2.7095  37.822  2.7843  1.943768       3.885090 
1 1 1 14  12  12 o 65.193  2.0877  573.623   36.440    596.248   51.821    551.492   51.252    66.471  2.9106  63.914  2.9938  2.557415       4.175499 
1 1 1 14  12  13 f 11.502  2.4258  17.637    8.4624    9.5328    12.038    25.555    11.899    9.5312  3.5388  13.473  3.3189  -3.942201      4.851643 
1 1 1 14  12  14 o 78.399  2.9572  854.579   56.392    874.956   67.679    808.304   101.989   80.367  3.1440  76.431  5.0096  3.936485       5.914481 
1 1 1 14  12  15 o 23.871  3.8192  79.572    23.596    0.0000    0.0000    79.572    23.596    ?       ?       23.871  3.8192  ?              ?        
1 1 1 14  12  16 o 47.403  1.9939  305.404   25.200    303.372   35.709    307.420   35.569    47.242  2.8351  47.565  2.8043  -0.3224297     3.987729 
1 1 1 14  12  17 o 47.211  2.0157  303.425   25.358    316.135   36.073    291.009   35.653    48.203  2.8061  46.218  2.8946  1.985123       4.031492 
1 1 1 14  12  18 o 25.208  2.2146  87.658    14.597    95.645    21.187    80.442    20.140    26.332  3.0611  24.085  3.2012  2.246637       4.429225 
1 1 1 14  12  19 o 16.324  2.6375  38.263    11.340    31.284    16.046    45.227    16.028    14.785  3.9687  17.864  3.4748  -3.079368      5.274972 
1 1 1 14  12  20 f 65.591  2.1646  589.911   37.981    557.437   53.758    622.278   53.669    63.745  3.1486  67.438  2.9712  -3.693295      4.329113 
1 1 1 14  12  21 o 28.326  2.1962  112.024   16.292    100.558   23.165    123.245   22.918    26.806  3.2959  29.847  2.9035  -3.040903      4.392364 
1 1 1 14  12  22 o 19.072  2.6189  53.325    12.831    38.269    18.191    68.230    18.099    16.140  4.1760  22.005  3.1617  -5.864244      5.237891 
1 1 1 14  12  23 o 10.588  2.4887  10.301    9.7799    28.182    14.239    -5.6650   13.456    13.888  3.7431  7.2890  3.2809  6.599006       4.977497 
1 1 1 14  12  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  12  25 o 18.392  2.7703  50.780    13.272    39.995    18.906    61.259    18.636    16.257  4.2822  20.527  3.5159  -4.270189      5.540639 
1 1 1 14  12  26 o 8.4762  2.4951  1.1549    9.9232    -8.4093   14.125    10.475    13.944    7.1210  3.2656  9.8315  3.7732  -2.710482      4.990108 
1 1 1 14  12  27 o 31.684  2.2896  143.867   19.138    137.718   27.092    149.992   27.039    30.951  3.3198  32.418  3.1540  -1.466681      4.579134 
1 1 1 14  12  28 o 28.675  2.4247  119.975   18.190    110.017   25.630    130.080   25.820    27.358  3.5838  29.992  3.2669  -2.633984      4.849399 
1 1 1 14  12  29 o 8.6774  2.6364  2.1305    10.989    1.7024    16.413    2.4783    14.793    8.8104  3.8052  8.5445  3.6500  0.2659597      5.272746 
1 1 1 14  13  0  f 248.128 4.7543  8345.27   315.814   8633.36   446.176   8056.02   447.083   252.475 6.5978  243.782 6.8470  8.692886       9.508512 
1 1 1 14  13  1  o 115.879 2.5523  1804.78   79.212    1777.24   111.495   1832.84   112.559   114.985 3.6201  116.773 3.5987  -1.787506      5.104534 
1 1 1 14  13  2  o 99.100  2.3989  1319.86   63.675    1307.30   89.627    1332.65   90.479    98.625  3.3928  99.576  3.3924  -0.9517212     4.797859 
1 1 1 14  13  3  o 31.923  1.9511  137.923   16.437    121.555   22.942    155.183   23.560    29.946  2.8965  33.900  2.6149  -3.954916      3.902194 
1 1 1 14  13  4  f 81.426  2.1934  891.110   47.836    880.093   67.364    902.317   67.940    80.917  3.1081  81.934  3.0958  -1.016495      4.386847 
1 1 1 14  13  5  o 92.114  2.3433  1141.65   57.814    1146.64   81.687    1136.65   81.835    92.317  3.3036  91.911  3.3242  0.4057388      4.686558 
1 1 1 14  13  6  o 44.047  1.8955  261.682   22.253    256.242   31.385    267.182   31.558    43.582  2.7019  44.511  2.6592  -0.9290237     3.790949 
1 1 1 14  13  7  o 124.516 2.7972  2094.25   93.288    2073.67   131.810   2114.91   132.050   123.898 3.9719  125.133 3.9398  -1.234856      5.594454 
1 1 1 14  13  8  o 149.652 3.1917  3038.02   127.935   3057.04   180.987   3019.03   180.868   150.126 4.5009  149.179 4.5265  0.9468994      6.383412 
1 1 1 14  13  9  o 31.870  1.9556  137.852   16.521    134.774   23.510    140.855   23.220    31.508  2.8154  32.231  2.7149  -0.7229309     3.911193 
1 1 1 14  13  10 o 34.700  1.9509  163.805   17.908    148.641   25.462    178.649   25.192    33.073  2.9036  36.328  2.6064  -3.254360      3.901828 
1 1 1 14  13  11 f 55.493  2.0082  416.717   29.746    414.174   42.321    419.201   41.819    55.320  2.8660  55.666  2.8138  -0.3458862     4.016412 
1 1 1 14  13  12 o 35.295  1.9765  170.448   18.331    143.887   25.994    196.726   25.855    32.481  3.0225  38.109  2.5476  -5.628105      3.952979 
1 1 1 14  13  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  13  14 o 23.980  2.1953  79.137    13.733    86.449    19.786    72.338    19.077    25.085  3.0045  22.874  3.2015  2.211102       4.390501 
1 1 1 14  13  15 o 11.874  2.4645  17.205    9.3278    32.354    13.709    4.1453    12.729    15.118  3.4603  8.6303  3.5103  6.487319       4.929045 
1 1 1 14  13  16 o 28.694  2.1099  112.905   15.953    121.380   22.946    104.977   22.195    29.761  2.9160  27.626  3.0503  2.134693       4.219881 
1 1 1 14  13  17 o 38.655  2.0394  204.226   20.925    220.339   29.954    188.869   29.243    40.173  2.8013  37.136  2.9647  3.037533       4.078802 
1 1 1 14  13  18 o 48.652  2.0498  323.772   26.585    332.682   37.903    315.143   37.298    49.319  2.8818  47.985  2.9158  1.333679       4.099583 
1 1 1 14  13  19 o 37.184  2.0834  190.738   20.527    180.134   29.447    200.761   28.628    36.128  3.0723  38.241  2.8147  -2.113861      4.166740 
1 1 1 14  13  20 o 18.605  2.6465  49.852    12.746    66.863    18.543    34.615    17.549    21.786  3.2793  15.425  4.1546  6.360958       5.292912 
1 1 1 14  13  21 o 30.386  2.1954  128.889   17.559    141.338   25.117    116.991   24.556    31.884  2.9755  28.889  3.2287  2.995359       4.390714 
1 1 1 14  13  22 o 9.7194  2.6545  9.3553    9.8272    11.225    13.986    7.5321    13.811    10.082  3.8004  9.3570  3.7071  0.7247438      5.309006 
1 1 1 14  13  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  13  24 o 62.401  2.2441  548.005   37.421    528.432   52.817    567.731   53.025    61.189  3.2341  63.612  3.1121  -2.423172      4.488245 
1 1 1 14  13  25 f 12.723  2.9577  23.337    11.662    23.232    16.659    23.438    16.331    12.711  4.2048  12.734  4.1608  -0.2356148E-01 5.915421 
1 1 1 14  13  26 o 33.735  2.2959  162.757   20.487    166.238   29.200    159.383   28.750    34.100  3.2357  33.370  3.2581  0.7300644      4.591877 
1 1 1 14  13  27 o 25.284  2.5771  94.361    16.912    101.453   24.095    87.474    23.744    26.319  3.5052  24.249  3.7787  2.069359       5.154152 
1 1 1 14  13  28 o 14.184  2.9345  30.655    12.937    14.170    18.364    46.893    18.226    10.978  4.2978  17.391  3.9966  -6.413709      5.868902 
1 1 1 14  14  0  o 166.420 3.3561  3737.95   149.556   3826.73   210.941   3648.21   212.072   168.426 4.6759  164.415 4.8156  4.011429       6.712246 
1 1 1 14  14  1  o 85.292  2.2101  977.772   50.487    985.156   71.110    970.266   71.692    85.619  3.1008  84.965  3.1502  0.6541824      4.420243 
1 1 1 14  14  2  o 119.673 2.6801  1929.98   85.856    1997.47   120.997   1861.56   121.843   121.795 3.7090  117.551 3.8698  4.244728       5.360221 
1 1 1 14  14  3  o 33.292  1.9305  150.214   16.991    134.746   23.948    165.892   24.111    31.534  2.8665  35.049  2.5866  -3.514879      3.860995 
1 1 1 14  14  4  o 9.6668  2.3863  10.877    7.7418    7.0404    11.049    14.576    10.850    8.7891  3.3622  10.544  3.3872  -1.755392      4.772622 
1 1 1 14  14  5  o 65.684  2.0232  580.393   35.593    572.435   50.218    588.426   50.454    65.230  2.8743  66.137  2.8481  -0.9075775     4.046387 
1 1 1 14  14  6  o 73.124  2.1250  720.206   41.617    728.694   58.794    711.682   58.917    73.559  2.9841  72.690  3.0261  0.8694611      4.249910 
1 1 1 14  14  7  o 119.835 2.7657  1944.27   88.769    1956.97   125.433   1931.53   125.644   120.232 3.8949  119.437 3.9275  0.7947769      5.531323 
1 1 1 14  14  8  o 34.386  1.9574  160.457   17.859    167.625   25.213    153.240   25.300    35.173  2.6968  33.599  2.8378  1.574001       3.914855 
1 1 1 14  14  9  o 86.111  2.2891  1002.69   52.796    991.842   74.721    1013.50   74.607    85.641  3.2574  86.581  3.2171  -0.9403534     4.578300 
1 1 1 14  14  10 o 17.866  2.3609  45.069    10.819    36.177    15.420    53.693    15.184    16.012  3.6734  19.720  2.9666  -3.708424      4.721715 
1 1 1 14  14  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  14  12 o 27.049  2.0683  100.176   14.740    98.713    21.027    101.590   20.669    26.843  2.9745  27.255  2.8747  -0.4127045     4.136613 
1 1 1 14  14  13 o 55.292  2.0438  415.132   30.159    424.470   42.938    406.039   42.371    55.911  2.8769  54.673  2.9038  1.237591       4.087608 
1 1 1 14  14  14 o 32.976  2.0449  148.693   17.858    141.847   25.350    155.436   25.161    32.198  2.9731  33.754  2.8085  -1.556046      4.089837 
1 1 1 14  14  15 o 76.609  2.2416  799.570   45.994    793.506   65.184    805.583   64.908    76.312  3.1890  76.906  3.1510  -0.5941467     4.483143 
1 1 1 14  14  16 o 36.329  2.0596  180.747   19.871    182.438   28.327    179.109   27.882    36.494  2.9224  36.163  2.9030  0.3311806      4.119228 
1 1 1 14  14  17 o 52.166  2.0891  372.692   29.069    376.278   41.330    369.182   40.894    52.415  2.9559  51.918  2.9529  0.4969254      4.178195 
1 1 1 14  14  18 o 9.6370  2.6335  8.7130    9.6448    9.8136    14.054    7.7332    13.260    9.9205  3.7926  9.3535  3.6548  0.5669403      5.267039 
1 1 1 14  14  19 o 37.416  2.1440  193.651   21.293    199.556   30.657    188.148   29.595    37.966  3.0402  36.865  3.0238  1.100933       4.287932 
1 1 1 14  14  20 o 20.294  2.6280  59.898    13.585    80.871    19.636    40.639    18.816    23.986  3.1309  16.602  4.2217  7.384663       5.256032 
1 1 1 14  14  21 o 6.2562  2.9285  -11.4160  12.270    -11.4160  12.270    0.0000    0.0000    6.2562  2.9285  ?       ?       ?              ?        
1 1 1 14  14  22 o 32.768  2.2226  151.500   19.240    145.004   27.436    157.787   26.989    32.019  3.2439  33.518  3.0393  -1.499306      4.445203 
1 1 1 14  14  23 o 52.441  2.1966  386.835   30.697    372.821   43.419    400.841   43.406    51.439  3.1668  53.442  3.0449  -2.002731      4.393175 
1 1 1 14  14  24 o 26.955  2.4479  104.635   17.259    107.961   24.603    101.412   24.218    27.400  3.4273  26.509  3.4960  0.8905621      4.895776 
1 1 1 14  14  25 o 26.871  2.4798  104.730   17.415    108.410   24.933    101.224   24.337    27.351  3.4823  26.390  3.5314  0.9610271      4.959559 
1 1 1 14  14  26 o 32.673  2.3997  154.934   20.559    174.746   29.431    136.053   28.732    34.876  3.1858  30.469  3.5895  4.406799       4.799312 
1 1 1 14  14  27 o 15.723  3.1064  39.472    13.910    29.667    19.910    48.822    19.443    13.797  4.5983  17.649  4.1778  -3.851661      6.212815 
1 1 1 14  15  0  o 59.895  1.9505  482.605   31.236    515.347   44.144    449.774   44.204    61.939  2.6609  57.851  2.8527  4.087666       3.901049 
1 1 1 14  15  1  o 118.653 2.6226  1897.56   83.312    1824.00   117.236   1972.60   118.415   116.319 3.7629  120.987 3.6541  -4.668327      5.245162 
1 1 1 14  15  2  o 153.214 3.2180  3177.45   132.018   3073.74   186.014   3282.71   187.396   150.675 4.6091  155.755 4.4919  -5.079895      6.435925 
1 1 1 14  15  3  o 105.121 2.4778  1490.20   69.762    1469.36   98.191    1511.45   99.133    104.377 3.5122  105.865 3.4961  -1.487762      4.955601 
1 1 1 14  15  4  o 84.566  2.2357  963.825   50.640    954.169   71.326    973.640   71.909    84.138  3.1649  84.993  3.1587  -0.8552094     4.471494 
1 1 1 14  15  5  o 42.151  1.9042  240.134   21.384    236.889   30.131    243.427   30.355    41.862  2.7017  42.440  2.6841  -0.5785789     3.808333 
1 1 1 14  15  6  o 27.888  1.9983  105.888   14.715    102.642   20.745    109.176   20.877    27.447  2.8640  28.329  2.7874  -0.8815861     3.996533 
1 1 1 14  15  7  o 55.840  2.0114  421.732   29.981    425.699   42.291    417.723   42.510    56.108  2.8231  55.571  2.8658  0.5377426      4.022723 
1 1 1 14  15  8  o 56.258  2.0122  427.917   30.262    435.870   42.728    419.913   42.867    56.825  2.8073  55.690  2.8837  1.134506       4.024459 
1 1 1 14  15  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  15  10 o 34.542  2.0072  162.792   18.332    147.375   25.965    178.116   25.886    32.868  2.9818  36.215  2.6878  -3.347782      4.014411 
1 1 1 14  15  11 o 33.372  2.0280  151.932   17.937    146.848   25.537    156.883   25.200    32.803  2.9376  33.942  2.7968  -1.139175      4.056100 
1 1 1 14  15  12 o 34.027  2.0622  158.773   18.441    135.326   25.989    182.551   26.172    31.419  3.1299  36.636  2.6858  -5.216961      4.124340 
1 1 1 14  15  13 o 48.163  2.0460  315.851   26.260    328.432   37.399    303.616   36.882    49.122  2.8548  47.203  2.9316  1.919281       4.091943 
1 1 1 14  15  14 o 40.795  2.0241  227.274   21.972    223.673   31.188    230.823   30.960    40.463  2.8968  41.127  2.8277  -0.6634064     4.048163 
1 1 1 14  15  15 o 56.182  2.1234  431.670   31.832    442.606   45.247    420.952   44.792    56.897  2.9794  55.466  3.0264  1.431137       4.246836 
1 1 1 14  15  16 o 27.188  2.2271  102.628   15.903    99.741    22.708    105.406   22.279    26.784  3.2305  27.592  3.0665  -0.8081970     4.454162 
1 1 1 14  15  17 o 32.431  2.1870  145.673   18.765    147.444   26.837    143.978   26.247    32.620  3.1092  32.242  3.0766  0.3776207      4.374066 
1 1 1 14  15  18 o 15.471  2.8726  34.774    12.039    37.353    17.659    32.534    16.457    15.988  4.1032  14.953  4.0215  1.034872       5.745287 
1 1 1 14  15  19 o 28.101  2.3184  111.634   16.998    99.715    24.264    123.120   23.821    26.510  3.5030  29.692  3.0379  -3.182524      4.636779 
1 1 1 14  15  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  15  21 f 18.224  2.8429  49.316    13.503    48.247    19.342    50.332    18.858    17.996  4.1037  18.453  3.9356  -0.4572506     5.685870 
1 1 1 14  15  22 o 46.136  2.2239  299.923   27.305    292.211   38.762    307.520   38.470    45.504  3.2006  46.767  3.0885  -1.262650      4.447785 
1 1 1 14  15  23 o 35.820  2.2531  182.057   21.372    177.939   30.606    185.977   29.857    35.371  3.2674  36.268  3.1033  -0.8972740     4.506253 
1 1 1 14  15  24 o 18.676  2.9205  53.120    14.720    78.742    21.344    29.880    20.327    23.224  3.5434  14.127  4.6434  9.096745       5.840927 
1 1 1 14  15  25 o 9.3518  2.7296  5.4438    11.263    0.1669    16.008    10.617    15.849    8.5924  3.7344  10.111  3.9822  -1.518862      5.459252 
1 1 1 14  15  26 o 29.112  2.5642  126.438   19.450    140.581   27.754    112.789   27.265    30.895  3.4108  27.330  3.8298  3.565029       5.128424 
1 1 1 14  16  0  o 40.588  1.8861  222.499   20.385    228.926   28.839    216.080   28.818    41.182  2.6282  39.995  2.7061  1.186783       3.772298 
1 1 1 14  16  1  o 102.815 2.4533  1426.27   67.557    1435.09   95.194    1417.32   95.890    103.140 3.4458  102.490 3.4930  0.6508331      4.906617 
1 1 1 14  16  2  o 34.330  1.8974  159.536   17.290    150.402   24.246    168.986   24.663    33.316  2.7414  35.343  2.6239  -2.027534      3.794771 
1 1 1 14  16  3  o 145.157 3.1131  2862.72   121.037   2843.41   170.626   2882.27   171.724   144.664 4.4035  145.650 4.4018  -0.9857483     6.226284 
1 1 1 14  16  4  o 24.272  2.0439  80.599    13.006    75.817    18.360    85.415    18.426    23.524  2.9809  25.021  2.7973  -1.497189      4.087880 
1 1 1 14  16  5  o 93.429  2.3794  1181.01   59.540    1166.74   83.890    1195.49   84.519    92.858  3.3729  94.000  3.3569  -1.141769      4.758708 
1 1 1 14  16  6  o 41.457  3.5736  234.757   39.294    234.757   39.294    0.0000    0.0000    41.457  3.5736  ?       ?       ?              ?        
1 1 1 14  16  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  16  8  o 93.837  2.4206  1195.41   60.839    1190.41   85.933    1200.44   86.146    93.639  3.4262  94.035  3.4202  -0.3960419     4.841182 
1 1 1 14  16  9  o 75.396  2.2162  770.757   44.752    758.296   63.135    783.341   63.444    74.779  3.1521  76.014  3.1161  -1.235611      4.432354 
1 1 1 14  16  10 o 28.269  2.0951  109.456   15.628    108.770   21.975    110.158   22.228    28.180  2.9554  28.358  2.9705  -0.1779404     4.190223 
1 1 1 14  16  11 o 15.794  2.6357  35.669    11.132    45.264    15.698    25.964    15.787    17.946  3.3899  13.642  4.0368  4.303772       5.271347 
1 1 1 14  16  12 o 50.758  2.0608  351.230   27.891    342.269   39.528    360.115   39.360    50.098  2.9589  51.419  2.8693  -1.320976      4.121650 
1 1 1 14  16  13 o 20.945  2.3710  61.502    12.831    57.723    18.228    65.213    18.065    20.258  3.4850  21.632  3.2157  -1.373198      4.741943 
1 1 1 14  16  14 o 32.609  2.1146  146.387   18.199    161.239   26.008    132.136   25.476    34.280  2.8585  30.938  3.1168  3.342863       4.229145 
1 1 1 14  16  15 f 93.688  2.5070  1212.39   62.911    1206.36   89.098    1218.39   88.841    93.444  3.5598  93.932  3.5311  -0.4880371     5.014091 
1 1 1 14  16  16 o 24.186  2.4531  82.401    15.428    84.791    22.296    80.206    21.370    24.520  3.4936  23.852  3.4447  0.6676331      4.906222 
1 1 1 14  16  17 o 25.760  2.3855  93.664    16.033    89.106    22.869    98.068    22.484    25.086  3.4987  26.433  3.2437  -1.346991      4.770993 
1 1 1 14  16  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  16  19 o 17.122  2.8826  43.526    13.033    41.745    18.679    45.214    18.193    16.747  4.1781  17.498  3.9726  -0.7512970     5.765213 
1 1 1 14  16  20 o 33.521  2.3219  159.507   20.468    143.404   29.036    175.413   28.858    31.715  3.4751  35.328  3.0805  -3.613001      4.643901 
1 1 1 14  16  21 o 34.780  2.3047  171.535   21.207    167.744   30.228    175.209   29.759    34.359  3.3262  35.200  3.1910  -0.8410187     4.609407 
1 1 1 14  16  22 f 12.005  2.8634  17.117    11.964    33.163    17.551    3.1904    16.351    14.838  4.2172  9.1724  3.8745  5.665931       5.726778 
1 1 1 14  16  23 o 14.729  3.0768  33.052    12.980    32.054    18.120    34.103    18.602    14.520  4.3312  14.938  4.3711  -0.4183273     6.153505 
1 1 1 14  16  24 f 33.955  2.3964  168.245   21.321    148.744   30.434    187.038   29.877    31.801  3.6384  36.109  3.1198  -4.307932      4.792811 
1 1 1 14  17  0  o 13.353  2.5400  24.890    9.2866    26.397    13.319    23.464    12.955    13.724  3.5842  12.982  3.6000  0.7415886      5.080036 
1 1 1 14  17  1  o 87.367  2.2726  1031.33   53.142    1071.64   74.914    990.494   75.396    89.103  3.1389  85.630  3.2873  3.472420       4.545205 
1 1 1 14  17  2  o 80.508  2.1855  875.213   47.126    874.015   66.363    876.432   66.933    80.454  3.0795  80.561  3.1019  -0.1064148     4.370976 
1 1 1 14  17  3  o 85.031  2.9421  992.557   61.310    1003.60   73.663    967.650   110.605   86.155  3.1921  83.908  4.9432  2.247398       5.884280 
1 1 1 14  17  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  17  5  o 36.520  1.9398  181.067   18.835    178.677   26.604    183.469   26.670    36.274  2.7589  36.765  2.7277  -0.4914932     3.879658 
1 1 1 14  17  6  o 122.383 2.8165  2042.87   92.323    2031.13   130.237   2054.73   130.895   122.029 3.9846  122.737 3.9816  -0.7085342     5.632932 
1 1 1 14  17  7  o 73.024  2.1750  722.622   42.541    715.785   60.172    729.456   60.152    72.674  3.0912  73.374  3.0607  -0.6992264     4.350095 
1 1 1 14  17  8  o 32.337  2.0836  143.146   17.747    160.439   25.237    126.231   24.961    34.326  2.7685  30.349  3.1148  3.976885       4.167267 
1 1 1 14  17  9  o 28.087  2.0967  108.126   15.530    104.483   21.742    111.919   22.189    27.594  2.9896  28.580  2.9405  -0.9864197     4.193365 
1 1 1 14  17  10 o 75.768  2.2503  781.731   45.648    752.413   64.358    811.414   64.757    74.318  3.2331  77.218  3.1310  -2.899429      4.500653 
1 1 1 14  17  11 o 83.348  2.3611  949.464   52.706    964.229   74.658    934.794   74.418    84.005  3.3180  82.692  3.3599  1.313011       4.722115 
1 1 1 14  17  12 o 28.875  2.1879  115.267   16.611    123.745   23.469    106.756   23.515    29.988  2.9605  27.762  3.2222  2.225941       4.375725 
1 1 1 14  17  13 o 25.057  2.3276  87.679    15.216    83.093    21.647    92.157    21.391    24.362  3.4110  25.751  3.1681  -1.388893      4.655295 
1 1 1 14  17  14 o 30.776  2.2558  131.487   18.294    141.107   26.196    122.329   25.559    31.914  3.1038  29.638  3.2743  2.275801       4.511577 
1 1 1 14  17  15 o 46.484  2.1386  298.739   26.458    286.018   37.542    311.292   37.292    45.459  3.1017  47.508  2.9452  -2.048542      4.277253 
1 1 1 14  17  16 f 36.010  2.2230  180.814   21.176    195.837   30.221    166.322   29.682    37.539  3.0315  34.481  3.2522  3.057671       4.445968 
1 1 1 14  17  17 o 25.494  3.4495  92.435    22.950    0.0000    0.0000    92.435    22.950    ?       ?       25.494  3.4495  ?              ?        
1 1 1 14  17  18 o 43.224  2.2155  261.807   25.468    257.700   36.215    265.826   35.824    42.860  3.1772  43.588  3.0884  -0.7275467     4.430918 
1 1 1 14  17  19 o 19.709  2.7920  57.297    14.222    50.632    19.877    64.288    20.358    18.430  4.1289  20.988  3.7593  -2.558523      5.583971 
1 1 1 14  17  20 f 12.207  2.9910  20.372    11.954    18.470    17.179    22.158    16.646    11.871  4.2549  12.543  4.2047  -0.6715307     5.981978 
1 1 1 14  17  21 o 20.936  2.8748  65.717    15.512    58.713    22.198    72.401    21.685    19.679  4.3291  22.193  3.7837  -2.513887      5.749565 
1 1 1 14  17  22 o 10.504  2.8725  11.107    11.808    18.612    16.869    3.8949    16.535    11.748  4.2157  9.2594  3.9029  2.488407       5.745000 
1 1 1 14  17  23 f 14.287  3.0719  30.629    13.505    44.645    19.440    17.557    18.774    16.911  4.2863  11.663  4.4015  5.247334       6.143760 
1 1 1 14  18  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  18  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  18  2  o 60.745  1.9950  498.289   32.458    497.021   45.698    499.581   46.109    60.668  2.8122  60.821  2.8304  -0.1527519     3.989928 
1 1 1 14  18  3  o 57.546  1.9909  447.311   30.681    435.721   43.073    459.247   43.713    56.787  2.8319  58.306  2.7990  -1.518841      3.981724 
1 1 1 14  18  4  o 29.226  2.0644  117.252   15.820    131.317   22.248    102.869   22.500    31.066  2.7007  27.387  3.1231  3.679234       4.128853 
1 1 1 14  18  5  o 40.974  1.9486  227.922   21.252    219.352   29.810    236.781   30.307    40.181  2.7871  41.767  2.7240  -1.585800      3.897167 
1 1 1 14  18  6  o 25.463  2.1576  89.219    14.402    93.641    20.308    84.745    20.427    26.128  2.9537  24.799  3.1461  1.328529       4.315301 
1 1 1 14  18  7  o 66.453  2.1275  599.468   37.854    616.386   53.475    582.475   53.593    67.406  2.9619  65.499  3.0548  1.907158       4.254941 
1 1 1 14  18  8  o 33.134  2.0745  150.570   18.144    136.206   25.687    164.872   25.632    31.505  3.0836  34.763  2.7760  -3.258112      4.149005 
1 1 1 14  18  9  o 45.508  2.0246  282.698   24.527    296.374   34.644    268.956   34.728    46.638  2.7861  44.377  2.9383  2.260544       4.049145 
1 1 1 14  18  10 o 15.122  2.6889  32.932    11.056    40.755    15.418    24.650    15.864    16.939  3.5135  13.305  4.0713  3.633832       5.377712 
1 1 1 14  18  11 o 38.963  2.0808  208.411   21.545    200.682   30.361    216.251   30.578    38.217  2.9899  39.710  2.8948  -1.493504      4.161628 
1 1 1 14  18  12 f 15.587  2.8131  35.018    12.331    49.607    17.472    20.538    17.406    18.643  3.6294  12.531  4.2990  6.112632       5.626194 
1 1 1 14  18  13 o 26.073  2.3417  95.597    15.899    87.349    22.761    103.457   22.219    24.885  3.5125  27.261  3.0979  -2.376417      4.683465 
1 1 1 14  18  14 o 20.008  2.6194  57.915    13.432    44.814    18.808    71.551    19.188    17.500  4.0867  22.515  3.2780  -5.015825      5.238893 
1 1 1 14  18  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  18  16 o 38.421  2.2033  206.503   22.363    232.680   32.107    181.835   31.167    40.882  2.9519  35.959  3.2718  4.923645       4.406601 
1 1 1 14  18  17 o 27.378  2.4368  106.886   17.467    105.295   24.890    108.431   24.518    27.147  3.5048  27.610  3.3864  -0.4624500     4.873581 
1 1 1 14  18  18 o 18.862  2.9192  52.963    14.337    54.570    20.501    51.425    20.057    19.152  4.1188  18.572  4.1379  0.5794029      5.838449 
1 1 1 14  18  19 o 23.608  2.6937  81.225    16.345    95.077    23.748    68.755    22.531    25.678  3.5475  21.537  4.0545  4.140913       5.387373 
1 1 1 14  18  20 o 7.8731  2.3733  -10.7243  10.292    12.465    15.098    -30.8550  14.067    10.405  3.9422  5.3411  2.6436  5.064084       4.746534 
1 1 1 14  18  21 o 13.318  3.1075  26.298    12.995    21.675    18.726    30.592    18.048    12.465  4.4451  14.170  4.3435  -1.705275      6.214923 
1 1 1 14  18  22 o 30.957  2.6078  142.307   20.967    165.145   30.112    120.812   29.212    33.620  3.3901  28.294  3.9635  5.327002       5.215558 
1 1 1 14  19  0  o 33.628  1.9422  153.746   17.334    157.110   24.398    150.318   24.632    34.010  2.7006  33.246  2.7920  0.7643852      3.884332 
1 1 1 14  19  1  o 85.481  2.2777  990.449   52.140    1005.80   73.498    974.895   73.979    86.159  3.1848  84.802  3.2570  1.356583       4.555328 
1 1 1 14  19  2  o 97.339  2.4231  1286.92   63.166    1258.18   88.871    1316.26   89.796    96.232  3.4479  98.445  3.4055  -2.213081      4.846123 
1 1 1 14  19  3  o 43.397  1.9583  255.740   22.643    256.373   31.870    255.096   32.175    43.456  2.7523  43.339  2.7865  0.1161499      3.916611 
1 1 1 14  19  4  o 12.850  2.6772  22.814    9.9142    18.976    13.913    26.773    14.131    11.922  3.8362  13.778  3.7354  -1.855474      5.354381 
1 1 1 14  19  5  o 28.665  2.0967  112.628   15.854    117.755   22.560    107.626   22.285    29.328  2.9103  28.002  3.0190  1.326061       4.193349 
1 1 1 14  19  6  o 80.639  2.2468  885.176   48.514    855.451   68.236    915.562   68.989    79.254  3.2144  82.023  3.1402  -2.768417      4.493667 
1 1 1 14  19  7  o 23.601  2.2433  77.240    13.800    82.358    19.658    72.268    19.377    24.409  3.0750  22.794  3.2672  1.615114       4.486670 
1 1 1 14  19  8  o 37.041  2.0800  188.329   20.423    200.091   28.744    176.338   29.022    38.250  2.8256  35.832  3.0530  2.418278       4.159935 
1 1 1 14  19  9  o 48.980  2.1033  328.701   27.460    321.866   38.655    335.665   39.016    48.458  2.9928  49.503  2.9561  -1.045200      4.206595 
1 1 1 14  19  10 o 23.792  2.3947  79.383    14.826    80.250    20.838    78.494    21.099    23.939  3.3409  23.644  3.4319  0.2955933      4.789494 
1 1 1 14  19  11 o 32.998  2.1711  150.804   18.964    151.133   27.109    150.488   26.539    33.022  3.1012  32.973  3.0391  0.4917145E-01  4.342105 
1 1 1 14  19  12 o 25.987  2.3516  94.730    15.953    103.512   23.043    86.645    22.108    27.193  3.2266  24.781  3.4220  2.411745       4.703288 
1 1 1 14  19  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  19  14 o 35.375  2.2769  176.013   21.109    204.902   30.128    148.156   29.585    38.380  2.9534  32.369  3.4662  6.010979       4.553835 
1 1 1 14  19  15 o 21.160  2.7147  65.283    14.789    72.675    21.028    58.047    20.803    22.464  3.6176  19.857  4.0487  2.607056       5.429486 
1 1 1 14  19  16 o 21.292  2.7852  67.628    15.103    46.139    21.257    89.531    21.461    17.484  4.5097  25.101  3.2698  -7.616550      5.570343 
1 1 1 14  19  17 o 7.5688  2.3919  -4.6489   9.9305    -3.1798   14.072    -6.1065   14.016    7.7564  3.4316  7.3811  3.3330  0.3752780      4.783851 
1 1 1 14  19  18 o 12.811  2.9778  21.347    13.071    37.144    18.351    5.0800    18.622    15.683  4.2587  9.9393  4.1631  5.743407       5.955516 
1 1 1 14  19  19 o 29.008  2.5688  122.849   19.321    105.822   27.268    140.016   27.381    26.776  3.9180  31.240  3.3232  -4.464460      5.137535 
1 1 1 14  19  20 o 21.200  2.9904  69.065    16.371    61.636    23.330    76.271    22.978    19.884  4.4870  22.515  3.9545  -2.631363      5.980850 
1 1 1 14  20  0  o 17.143  2.4692  41.415    10.953    44.581    15.499    38.257    15.480    17.834  3.3682  16.453  3.6115  1.380125       4.938439 
1 1 1 14  20  1  o 63.227  2.0422  541.425   34.584    533.640   48.717    549.334   49.103    62.766  2.8978  63.688  2.8785  -0.9210739     4.084463 
1 1 1 14  20  2  o 68.575  2.1052  637.920   38.664    642.029   54.472    633.748   54.889    68.804  2.9558  68.346  2.9984  0.4575729      4.210322 
1 1 1 14  20  3  o 36.665  2.0015  183.363   19.474    171.090   27.348    195.988   27.737    35.394  2.9105  37.936  2.7484  -2.541481      4.003070 
1 1 1 14  20  4  o 59.972  2.0529  488.492   32.966    471.777   46.354    505.597   46.892    58.924  2.9370  61.020  2.8690  -2.095509      4.105752 
1 1 1 14  20  5  o 37.386  2.0303  191.242   20.127    176.193   28.325    206.590   28.606    35.862  2.9757  38.909  2.7628  -3.046551      4.060524 
1 1 1 14  20  6  o 69.216  2.1722  653.844   40.255    630.086   56.650    678.076   57.212    67.928  3.1136  70.503  3.0296  -2.575447      4.344316 
1 1 1 14  20  7  o 67.283  2.1957  619.282   39.569    615.482   55.707    623.151   56.214    67.076  3.1006  67.489  3.1098  -0.4124451     4.391414 
1 1 1 14  20  8  o 68.129  2.2176  636.739   40.456    618.140   57.078    655.516   57.350    67.109  3.1754  69.149  3.0964  -2.040367      4.435197 
1 1 1 14  20  9  o 31.461  2.2187  137.443   18.425    130.641   26.064    144.237   26.051    30.646  3.2236  32.277  3.0494  -1.631458      4.437402 
1 1 1 14  20  10 o 43.123  2.1415  257.201   24.563    247.295   34.678    267.175   34.797    42.260  3.0849  43.985  2.9710  -1.725136      4.282953 
1 1 1 14  20  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  20  12 o 11.893  2.8914  18.424    11.204    23.287    16.475    14.239    15.282    12.877  4.1777  10.908  3.9984  1.968237       5.782786 
1 1 1 14  20  13 o 16.942  2.9658  42.639    13.400    45.041    18.889    40.205    19.011    17.445  4.1100  16.439  4.2768  1.005777       5.931543 
1 1 1 14  20  14 o 17.366  3.0274  45.079    14.044    50.616    19.921    39.607    19.803    18.472  4.1299  16.260  4.4277  2.212418       6.054806 
1 1 1 14  20  15 o 18.281  2.9587  49.924    14.206    55.588    20.076    44.243    20.106    19.405  3.9956  17.157  4.3648  2.248354       5.917481 
1 1 1 14  20  16 o 11.234  2.7359  14.131    11.270    28.644    15.674    -1.4021   16.216    13.910  3.9958  8.5573  3.7381  5.353136       5.471733 
1 1 1 14  20  17 o 31.709  2.4606  144.417   20.493    157.789   29.397    131.775   28.584    33.228  3.3487  30.190  3.6061  3.037056       4.921154 
1 1 1 14  20  18 o 25.210  2.7658  94.497    17.999    85.146    25.362    103.984   25.547    23.794  4.1293  26.626  3.6807  -2.831963      5.531554 
1 1 1 14  21  0  o 14.603  2.5677  30.294    10.099    36.422    14.303    24.202    14.262    16.051  3.4311  13.155  3.8210  2.895363       5.135422 
1 1 1 14  21  1  o 65.011  2.0863  574.450   36.309    593.600   51.224    555.111   51.475    66.119  2.8924  63.904  3.0073  2.214931       4.172558 
1 1 1 14  21  2  o 88.046  2.3380  1058.34   55.133    1040.46   77.534    1076.64   78.413    87.289  3.3162  88.804  3.2966  -1.514557      4.676017 
1 1 1 14  21  3  o 41.225  2.0107  232.586   22.002    251.886   31.123    213.303   31.109    42.981  2.7175  39.470  2.9643  3.511028       4.021389 
1 1 1 14  21  4  o 16.473  2.7622  38.809    12.060    32.325    16.726    45.831    17.405    15.023  4.0601  17.923  3.7462  -2.900246      5.524333 
1 1 1 14  21  5  o 15.547  2.8321  34.999    11.917    38.955    16.354    30.519    17.401    16.474  3.7856  14.620  4.2133  1.854507       5.664146 
1 1 1 14  21  6  o 18.559  2.7184  49.416    13.079    41.341    18.185    58.069    18.825    16.899  4.0667  20.219  3.6084  -3.319487      5.436788 
1 1 1 14  21  7  o 19.493  2.6571  54.710    13.330    43.230    18.656    66.683    19.053    17.244  4.0993  21.741  3.3817  -4.496826      5.314165 
1 1 1 14  21  8  o 40.858  3.8015  235.126   41.126    235.126   41.126    0.0000    0.0000    40.858  3.8015  ?       ?       ?              ?        
1 1 1 14  21  9  o 30.707  3.2041  131.868   25.965    0.0000    0.0000    131.868   25.965    ?       ?       30.707  3.2041  ?              ?        
1 1 1 14  21  10 o 35.819  2.2433  179.382   21.218    161.415   29.701    198.108   30.323    33.907  3.3126  37.731  3.0259  -3.823639      4.486583 
1 1 1 14  21  11 o 11.974  2.9598  18.842    11.758    21.685    16.347    15.795    16.924    12.515  4.1665  11.432  4.2050  1.083499       5.919596 
1 1 1 14  21  12 o 12.121  2.9095  20.068    11.329    17.050    16.730    22.623    15.397    11.618  4.1949  12.624  4.0328  -1.006450      5.818937 
1 1 1 14  21  13 o 27.494  2.5066  108.453   17.783    90.051    24.915    127.564   25.390    24.920  3.8574  30.068  3.2019  -5.148523      5.013149 
1 1 1 14  21  14 o 37.532  2.3056  199.010   22.944    196.963   32.602    201.018   32.296    37.319  3.2955  37.745  3.2255  -0.4261398     4.611275 
1 1 1 14  21  15 o 9.8563  2.7282  4.6792    11.757    20.262    16.440    -11.6344  16.821    12.121  4.1769  7.5914  3.5109  4.529768       5.456460 
1 1 1 14  21  16 o 23.683  2.8166  83.454    17.213    87.018    24.143    79.768    24.549    24.289  3.8386  23.078  4.1228  1.210623       5.633133 
1 1 1 14  21  17 o 17.391  3.1370  47.224    14.662    48.242    20.672    46.193    20.798    17.599  4.3977  17.183  4.4748  0.4164619      6.274083 
1 1 1 14  22  0  o 24.178  2.3511  82.181    14.509    100.146   20.590    64.463    20.448    26.981  2.8943  21.375  3.7059  5.606762       4.702230 
1 1 1 14  22  1  o 21.198  2.4617  63.120    13.476    67.842    19.337    58.660    18.792    22.010  3.3887  20.386  3.5716  1.624231       4.923423 
1 1 1 14  22  2  o 46.950  2.0560  302.251   25.655    328.285   36.376    276.486   36.188    49.015  2.7822  44.885  3.0277  4.129635       4.111903 
1 1 1 14  22  3  o 15.464  2.7925  34.302    11.708    27.751    16.270    41.337    16.861    13.968  4.0882  16.960  3.8051  -2.992366      5.584968 
1 1 1 14  22  4  o 33.419  2.1459  154.883   18.861    174.478   26.702    135.370   26.646    35.622  2.8216  31.217  3.2338  4.405071       4.291732 
1 1 1 14  22  5  o 54.570  2.1167  410.023   30.801    391.396   43.229    429.230   43.898    53.284  3.0416  55.856  2.9445  -2.572552      4.233364 
1 1 1 14  22  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  22  7  f 33.798  2.2174  159.401   19.781    173.802   28.134    145.323   27.817    35.378  2.9972  32.219  3.2686  3.159042       4.434763 
1 1 1 14  22  8  o 26.031  2.3811  95.811    16.208    93.034    22.827    98.635    23.016    25.628  3.4100  26.434  3.3242  -0.8057251     4.762243 
1 1 1 14  22  9  o 16.142  2.9951  38.619    13.126    40.947    18.553    36.287    18.572    16.630  4.1721  15.653  4.2984  0.9768400      5.990221 
1 1 1 14  22  10 o 32.215  2.3445  146.755   19.849    133.194   28.143    160.177   27.999    30.629  3.4929  33.800  3.1282  -3.171799      4.688926 
1 1 1 14  22  11 o 44.759  2.2569  281.164   26.833    264.211   38.006    298.013   37.890    43.339  3.2989  46.179  3.0809  -2.840771      4.513832 
1 1 1 14  22  12 o 45.491  2.2775  291.041   27.569    288.611   38.682    293.550   39.303    45.306  3.2083  45.677  3.2334  -0.3708000     4.555023 
1 1 1 14  22  13 o 20.675  2.9342  63.734    15.682    64.287    21.997    63.163    22.362    20.794  4.0951  20.556  4.2033  0.2378979      5.868328 
1 1 1 14  22  14 o 40.092  2.3146  228.820   24.637    228.763   34.636    228.879   35.051    40.102  3.2526  40.082  3.2939  0.1928711E-01  4.629203 
1 1 1 14  22  15 o 14.677  2.9178  30.177    13.791    55.615    19.957    6.9274    19.080    19.173  4.0149  10.182  4.2350  8.990698       5.835609 
1 1 1 14  23  0  o 65.430  2.1328  585.998   37.368    601.413   52.831    570.565   52.862    66.310  2.9745  64.549  3.0575  1.761040       4.265649 
1 1 1 14  23  1  o 49.331  2.0584  334.805   26.969    301.718   38.090    368.068   38.191    46.813  3.0545  51.849  2.7599  -5.036026      4.116716 
1 1 1 14  23  2  o 50.765  2.7615  357.184   33.786    351.195   40.054    371.952   62.900    50.513  2.9736  51.018  4.6542  -0.5057526     5.522992 
1 1 1 14  23  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  23  4  o 25.003  2.4436  88.520    15.775    75.093    22.023    102.667   22.606    22.922  3.7141  27.085  3.1764  -4.162447      4.887149 
1 1 1 14  23  5  o 33.228  2.1929  153.922   19.291    152.507   27.150    155.364   27.414    33.072  3.1011  33.383  3.1013  -0.3109856     4.385775 
1 1 1 14  23  6  o 49.232  2.1682  336.824   28.448    333.607   39.949    340.134   40.520    48.997  3.0593  49.467  3.0734  -0.4704437     4.336483 
1 1 1 14  23  7  o 25.453  2.5127  92.641    16.595    100.151   23.324    84.940    23.616    26.602  3.3475  24.304  3.7483  2.297846       5.025460 
1 1 1 14  23  8  o 37.670  2.2607  199.328   22.532    213.427   31.737    184.999   31.995    39.097  3.0549  36.244  3.3332  2.853413       4.521344 
1 1 1 14  23  9  o 41.152  2.2351  237.256   24.442    230.348   34.308    244.376   34.830    40.527  3.1862  41.778  3.1354  -1.251408      4.470215 
1 1 1 14  23  10 o 50.903  2.2511  363.643   30.527    374.347   43.175    352.943   43.168    51.691  3.1331  50.115  3.2331  1.575798       4.502202 
1 1 1 14  23  11 o 46.458  2.2914  304.862   28.307    315.649   39.782    293.799   40.287    47.356  3.1544  45.560  3.3244  1.796570       4.582725 
1 1 1 14  23  12 o 21.945  2.9805  72.146    16.875    67.434    23.454    77.204    24.298    21.146  4.2876  22.743  4.1413  -1.596987      5.961065 
1 1 1 14  23  13 o 31.711  2.5076  146.054   20.862    133.382   29.279    159.124   29.734    30.196  3.6973  33.226  3.3885  -3.030264      5.015208 
1 1 1 14  24  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 14  24  1  o 38.189  2.0967  201.963   21.256    191.568   29.989    212.461   30.134    37.165  3.0392  39.214  2.8894  -2.048939      4.193460 
1 1 1 14  24  2  o 9.4924  2.6138  5.3961    9.9903    -2.9632   13.199    16.609    15.287    7.5784  3.3397  11.406  4.0217  -3.828017      5.227539 
1 1 1 14  24  3  o 30.664  2.3054  131.911   18.627    138.924   26.595    125.158   26.098    31.498  3.1967  29.830  3.3228  1.668276       4.610837 
1 1 1 14  24  4  o 19.956  2.7589  57.848    14.188    44.742    19.512    72.555    20.669    17.387  4.2301  22.525  3.5428  -5.138239      5.517717 
1 1 1 14  24  5  o 11.266  2.9137  15.341    11.405    14.321    15.249    16.636    17.182    10.906  3.9946  11.625  4.2429  -0.7187519     5.827410 
1 1 1 14  24  6  o 28.026  2.4187  111.543   17.758    115.195   24.874    107.747   25.360    28.547  3.3148  27.506  3.5232  1.041285       4.837465 
1 1 1 14  24  7  o 41.761  2.2675  245.336   25.005    275.917   35.475    215.142   35.250    44.488  2.9945  39.033  3.4056  5.454182       4.534939 
1 1 1 14  24  8  o 27.641  2.5303  110.250   17.967    131.113   25.488    89.640    25.332    30.485  3.1678  24.796  3.9464  5.688200       5.060506 
1 1 1 14  24  9  o 8.6126  2.5932  -1.3058   10.854    -9.9187   14.637    9.2188    16.180    7.1417  3.2931  10.084  4.0069  -2.941958      5.186488 
1 1 1 14  24  10 f 35.206  2.3581  176.933   21.959    172.115   31.191    181.667   30.920    34.685  3.4012  35.728  3.2673  -1.042862      4.716239 
1 1 1 14  24  11 o 22.132  3.0000  73.972    17.109    63.636    23.561    85.501    24.884    20.341  4.4483  23.923  4.0265  -3.581661      6.000060 
1 1 1 14  25  0  o 34.862  2.2071  170.467   20.234    189.756   28.358    150.464   28.879    36.997  2.8844  32.727  3.3414  4.270134       4.414156 
1 1 1 14  25  1  o 21.926  2.5976  69.044    14.646    59.334    20.313    79.558    21.137    20.199  3.8958  23.653  3.4370  -3.453699      5.195188 
1 1 1 14  25  2  o 25.818  2.4943  95.562    16.494    76.794    23.183    114.805   23.474    23.028  3.8976  28.608  3.1137  -5.580130      4.988675 
1 1 1 14  25  3  o 29.773  2.3378  124.936   18.301    116.606   25.484    133.807   26.298    28.705  3.3791  30.840  3.2315  -2.135021      4.675590 
1 1 1 14  25  4  o 42.316  2.2230  250.900   24.913    275.850   35.336    226.237   35.131    44.511  2.9811  40.120  3.2984  4.391251       4.445920 
1 1 1 14  25  5  o 10.331  2.8466  10.564    11.371    12.524    15.360    8.1862    16.914    10.554  3.9816  10.108  4.0694  0.4455767      5.693225 
1 1 1 14  25  6  f 14.670  2.8421  30.299    13.556    54.392    18.810    4.2663    19.553    19.265  3.7803  10.074  4.2450  9.191653       5.684282 
1 1 1 14  25  7  o 25.649  2.6312  95.483    17.548    95.047    24.712    95.926    24.923    25.594  3.7133  25.705  3.7287  -0.1119251     5.262314 
1 1 1 14  25  8  o 15.353  3.0279  35.583    14.062    52.960    19.469    16.634    20.331    18.815  3.9872  11.892  4.5580  6.923385       6.055814 
1 1 1 14  25  9  o 27.076  2.6419  107.596   18.617    100.080   25.927    115.597   26.749    26.026  3.8341  28.125  3.6358  -2.099285      5.283866 
1 1 1 14  26  0  o 30.693  2.3672  132.920   19.117    131.586   26.289    134.418   27.849    30.568  3.2612  30.819  3.4320  -0.2510033     4.734348 
1 1 1 14  26  1  o 30.494  2.2966  130.982   18.467    128.299   25.928    133.744   26.307    30.168  3.2606  30.820  3.2350  -0.6516762     4.593165 
1 1 1 14  26  2  o 12.093  2.9980  19.234    11.909    17.840    15.753    21.092    18.193    11.645  4.0844  12.542  4.3898  -0.8969851     5.996098 
1 1 1 14  26  3  o 10.032  2.7810  7.3155    11.786    18.013    15.690    -6.5377   17.854    11.652  4.0768  8.4119  3.7835  3.240174       5.561928 
1 1 1 14  26  4  o 18.683  3.0972  52.679    15.211    53.263    20.876    52.018    22.209    18.851  4.2375  18.515  4.5182  0.3365822      6.194433 
1 1 1 14  26  5  o 15.858  2.9624  36.338    13.723    17.812    18.630    58.315    20.291    11.900  4.4056  19.816  3.9615  -7.915815      5.924757 
1 1 1 14  26  6  o 11.460  2.8518  12.941    12.121    -2.3554   16.311    31.805    18.114    8.4170  3.7107  14.503  4.3314  -6.085698      5.703574 
1 1 1 14  27  0  o 13.546  3.0695  23.114    13.115    11.034    16.920    41.293    20.757    10.551  4.1269  16.541  4.5449  -5.989896      6.139026 
1 1 1 14  27  1  o 22.203  2.8637  73.145    16.325    78.270    22.378    67.314    23.869    23.208  3.7261  21.198  4.3497  2.009449       5.727417 
1 1 1 14  27  2  o 24.128  2.7127  85.190    16.935    85.313    23.588    85.059    24.330    24.183  3.7639  24.073  3.9074  0.1108837      5.425370 
1 1 1 14  27  3  o 47.729  2.2612  322.857   28.702    302.892   40.270    343.472   40.920    46.157  3.2786  49.301  3.1148  -3.144169      4.522325 
1 1 1 14  27  4  o 17.025  3.2283  44.527    15.194    34.975    20.738    55.598    22.326    15.077  4.6618  18.973  4.4672  -3.895591      6.456587 
1 1 1 14  28  0  o 20.659  3.0172  66.211    16.068    78.537    21.701    51.255    23.905    23.198  3.6099  18.119  4.8355  5.078896       6.034379 
1 1 1 14  28  1  o 14.917  3.2416  34.606    14.384    39.608    18.713    27.383    22.488    16.067  4.2738  13.768  4.8752  2.299611       6.483262 
1 1 1 15  -36 12 o 10.587  2.6660  12.804    13.242    -31.9160  22.603    36.177    16.341    6.9735  3.4326  14.200  4.0801  -7.226588      5.331992 
1 1 1 15  -36 13 o 11.927  3.2310  26.432    14.846    17.779    24.517    31.442    18.655    10.938  4.6862  12.916  4.4495  -1.978442      6.462092 
1 1 1 15  -36 14 o 14.262  3.3633  42.399    16.372    25.633    26.654    52.557    20.747    11.854  4.9737  16.671  4.5287  -4.816771      6.726581 
1 1 1 15  -36 15 o 16.230  3.5490  52.376    17.391    74.869    26.980    36.388    22.748    19.107  5.1536  13.354  4.8807  5.752584       7.097950 
1 1 1 15  -36 16 o 8.1734  2.6244  -1.2555   12.905    -19.7543  22.932    7.3176    15.611    7.6126  3.6819  8.7342  3.7407  -1.121603      5.248758 
1 1 1 15  -36 17 o 16.903  3.4398  62.503    18.484    35.860    28.236    82.482    24.452    12.797  5.2193  21.009  4.4818  -8.211855      6.879537 
1 1 1 15  -36 18 o 11.200  3.2431  23.083    15.616    16.659    26.438    26.526    19.353    10.655  4.7094  11.746  4.4601  -1.090731      6.486237 
1 1 1 15  -36 19 o 11.370  3.1768  11.912    16.375    54.382    26.011    -15.9730  21.077    15.331  5.2555  7.4098  3.5703  7.920926       6.353566 
1 1 1 15  -35 5  o 14.736  3.2167  40.493    14.976    25.017    23.177    51.586    19.623    12.212  4.8136  17.261  4.2683  -5.048843      6.433454 
1 1 1 15  -35 6  o 9.9943  2.9061  7.8686    14.299    -18.0941  23.232    23.703    18.143    8.0483  3.8439  11.940  4.3596  -3.891892      5.812240 
1 1 1 15  -35 7  o 16.915  3.4227  53.000    16.427    47.395    24.556    57.540    22.101    15.785  5.0983  18.046  4.5681  -2.260629      6.845493 
1 1 1 15  -35 8  f 22.271  3.2464  85.312    18.679    100.165   27.946    73.320    25.111    24.186  4.4790  20.356  4.7006  3.829903       6.492848 
1 1 1 15  -35 9  o 24.824  3.0598  102.821   19.500    121.348   28.985    87.501    26.357    27.115  4.1207  22.532  4.5244  4.583090       6.119657 
1 1 1 15  -35 10 o 10.242  3.0228  11.773    13.830    5.5539    22.669    15.461    17.454    9.9242  4.3749  10.559  4.1725  -0.6348906     6.045613 
1 1 1 15  -35 11 o 30.372  2.9287  150.949   22.865    182.646   33.681    123.854   31.140    33.778  3.7879  26.966  4.4678  6.812458       5.857411 
1 1 1 15  -35 12 o 16.299  3.3321  50.586    17.323    24.336    26.613    69.886    22.820    12.361  5.0572  20.236  4.3402  -7.875182      6.664279 
1 1 1 15  -35 13 o 12.537  3.3264  20.711    15.901    47.754    25.617    3.7606    20.282    15.716  5.2150  9.3578  4.1310  6.358360       6.652877 
1 1 1 15  -35 14 o 13.584  3.4697  33.987    16.226    29.851    26.470    36.478    20.538    12.979  5.1352  14.189  4.6675  -1.210299      6.939488 
1 1 1 15  -35 15 o 17.914  3.2713  53.680    18.324    103.855   28.469    18.191    23.942    24.457  4.5120  11.370  4.7378  13.08731       6.542583 
1 1 1 15  -35 16 o 7.8380  2.5780  -7.6480   12.992    -19.4934  22.353    -1.6056   15.965    7.7525  3.7207  7.9236  3.5695  -0.1710172     5.156063 
1 1 1 15  -35 17 o 15.593  3.5987  47.977    17.277    45.790    27.276    49.442    22.328    14.970  5.3619  16.216  4.8012  -1.245521      7.197344 
1 1 1 15  -35 18 o 11.794  3.2952  23.600    15.456    18.948    24.788    26.560    19.769    11.343  4.7798  12.246  4.5374  -0.9023762     6.590473 
1 1 1 15  -35 19 o 12.261  3.2816  24.306    14.830    41.100    23.803    13.651    18.960    14.346  5.0213  10.176  4.2263  4.169981       6.563151 
1 1 1 15  -35 20 o 10.385  3.1411  13.669    15.107    14.724    25.154    13.073    18.894    10.744  4.6753  10.027  4.1961  0.7164478      6.282159 
1 1 1 15  -35 21 o 10.307  3.0614  1.1317    15.558    39.488    25.253    -22.3312  19.751    13.701  5.1180  6.9130  3.3609  6.787720       6.122875 
1 1 1 15  -35 22 o 13.749  3.4691  37.089    16.291    54.826    25.527    24.902    21.159    15.900  5.2024  11.599  4.5907  4.300627       6.938233 
1 1 1 15  -35 23 o 12.309  3.3515  21.300    17.260    60.483    27.591    -3.8895   22.122    16.153  5.4134  8.4654  3.9527  7.687645       6.702919 
1 1 1 15  -35 24 o 10.074  3.1599  13.282    17.260    4.6038    26.829    19.411    22.545    9.5308  4.4170  10.617  4.5199  -1.086534      6.319804 
1 1 1 15  -35 25 o 9.8770  3.1181  13.343    16.437    14.961    26.904    12.380    20.762    10.180  4.6053  9.5744  4.2048  0.6053104      6.236129 
1 1 1 15  -34 0  o 17.925  3.3958  57.721    16.572    59.828    24.755    56.009    22.309    18.056  4.9643  17.793  4.6348  0.2630558      6.791585 
1 1 1 15  -34 1  o 9.3845  2.4902  5.9453    11.210    -31.3569  19.639    23.971    13.652    6.5936  3.2364  12.175  3.7854  -5.581895      4.980348 
1 1 1 15  -34 2  o 13.584  2.9296  22.785    14.142    59.571    21.989    -3.1621   18.467    18.738  4.4478  8.4292  3.8142  10.30902       5.859277 
1 1 1 15  -34 3  o 14.815  3.3200  37.333    14.830    46.576    22.356    30.069    19.817    16.267  4.8010  13.363  4.5870  2.903692       6.640009 
1 1 1 15  -34 4  o 17.505  3.2343  55.173    16.736    29.387    25.286    75.275    22.325    13.333  5.0896  21.676  3.9923  -8.343183      6.468607 
1 1 1 15  -34 5  o 38.014  2.4667  220.924   24.709    207.878   35.783    232.814   34.162    36.657  3.6949  39.372  3.2690  -2.714985      4.933381 
1 1 1 15  -34 6  o 11.634  3.1976  16.707    14.610    30.742    22.395    6.3081    19.277    13.551  4.8580  9.7176  4.1592  3.833223       6.395234 
1 1 1 15  -34 7  o 6.0579  2.0495  -21.5904  10.368    -55.9393  18.127    -4.8901   12.640    5.2366  2.6471  6.8792  3.1296  -1.642540      4.098999 
1 1 1 15  -34 8  o 13.331  3.0230  28.755    14.050    6.6981    21.659    44.780    18.462    10.144  4.3762  16.518  4.1717  -6.374270      6.046039 
1 1 1 15  -34 9  o 11.395  3.0236  18.620    13.148    6.6088    21.119    26.222    16.801    10.049  4.3283  12.741  4.2231  -2.692175      6.047231 
1 1 1 15  -34 10 o 18.153  3.3740  55.965    16.685    69.097    25.130    45.613    22.312    20.110  4.7424  16.195  4.8005  3.914679       6.748003 
1 1 1 15  -34 11 o 9.4330  2.8922  2.4239    13.036    12.885    21.845    -3.3620   16.246    10.890  4.5306  7.9762  3.5962  2.913716       5.784404 
1 1 1 15  -34 12 o 31.991  2.6997  159.944   22.652    168.310   32.946    152.444   31.194    32.781  3.8242  31.202  3.8118  1.579082       5.399465 
1 1 1 15  -34 13 o 12.351  3.3387  23.689    15.289    22.619    24.007    24.419    19.830    12.317  4.8851  12.386  4.5524  -0.6841660E-01 6.677454 
1 1 1 15  -34 14 o 12.744  2.9384  24.775    14.384    -6.6378   22.903    45.235    18.484    8.9825  4.1337  16.506  4.1773  -7.523216      5.876797 
1 1 1 15  -34 15 o 14.177  3.2728  30.392    14.957    55.541    24.096    14.628    19.077    17.629  4.9173  10.725  4.3204  6.903999       6.545671 
1 1 1 15  -34 16 o 14.790  3.3499  39.526    16.434    20.172    25.340    53.575    21.590    11.973  4.9208  17.606  4.5467  -5.632593      6.699726 
1 1 1 15  -34 17 o 10.867  3.1358  11.130    14.363    28.783    23.632    0.7887    18.087    13.003  4.9307  8.7322  3.8756  4.270522       6.271528 
1 1 1 15  -34 18 o 6.5500  2.2534  -19.7188  11.306    -22.7948  20.739    -18.4179  13.487    7.3039  3.5248  5.7960  2.8084  1.507861       4.506770 
1 1 1 15  -34 19 o 9.6301  2.9863  3.0656    14.553    15.236    23.211    -4.8177   18.681    11.044  4.6380  8.2161  3.7633  2.827914       5.972695 
1 1 1 15  -34 20 o 27.001  3.2601  127.711   22.522    116.933   33.026    137.081   30.794    25.300  5.0505  28.703  4.1238  -3.403883      6.520232 
1 1 1 15  -34 21 o 11.267  3.2008  19.361    14.685    17.634    23.069    20.538    19.041    11.185  4.6549  11.348  4.3947  -0.1631136     6.401609 
1 1 1 15  -34 22 o 13.064  3.3462  25.817    16.834    55.418    25.523    3.0244    22.396    16.680  5.1741  9.4485  4.2447  7.231697       6.692429 
1 1 1 15  -34 23 o 13.989  3.6324  37.065    17.993    55.905    28.217    24.154    23.358    16.143  5.4741  11.836  4.7762  4.306306       7.264867 
1 1 1 15  -34 24 o 13.915  3.6594  40.232    18.112    44.304    27.347    37.050    24.173    14.320  5.3305  13.510  5.0150  0.8100510      7.318829 
1 1 1 15  -34 25 o 25.249  3.3624  120.734   21.771    117.353   32.348    123.533   29.435    24.303  5.1303  26.194  4.3479  -1.890842      6.724877 
1 1 1 15  -34 26 o 8.3437  2.8038  -9.3045   16.755    -9.2132   26.262    -9.3672   21.758    8.6699  4.1258  8.0176  3.7978  0.6523447      5.607636 
1 1 1 15  -34 27 o 11.464  3.4659  25.377    18.494    35.372    29.506    18.908    23.736    12.335  5.2071  10.594  4.5757  1.740963       6.931880 
1 1 1 15  -34 28 o 9.1255  2.9328  3.9798    16.831    -19.7587  27.124    18.844    21.463    7.9469  3.8802  10.304  4.3989  -2.357195      5.865681 
1 1 1 15  -34 29 o 11.404  3.4196  26.048    18.474    54.164    29.146    7.1654    23.886    13.727  5.4022  9.0814  4.1943  4.645926       6.839227 
1 1 1 15  -33 0  o 5.6257  1.9724  -26.6605  9.7152    -23.4491  17.230    -28.1575  11.764    6.5586  3.1770  4.6928  2.3385  1.865750       3.944843 
1 1 1 15  -33 1  o 13.994  3.1048  31.583    15.008    6.9599    23.026    49.770    19.789    10.483  4.5173  17.505  4.2607  -7.021918      6.209680 
1 1 1 15  -33 2  o 20.424  3.2301  68.443    17.213    72.087    25.040    65.178    23.702    20.935  4.5919  19.914  4.5440  1.020496       6.460163 
1 1 1 15  -33 3  o 22.783  2.9352  81.883    17.237    86.276    25.040    77.927    23.762    23.374  4.1517  22.192  4.1503  1.182678       5.870358 
1 1 1 15  -33 4  o 17.263  3.1423  49.662    14.771    40.923    22.294    56.501    19.721    15.598  4.8352  18.927  4.0146  -3.328151      6.284667 
1 1 1 15  -33 5  o 16.024  3.0544  38.399    14.994    70.152    22.868    14.452    19.859    20.996  4.2128  11.052  4.4236  9.943852       6.108704 
1 1 1 15  -33 6  o 15.656  2.9816  35.736    14.758    69.582    22.377    9.6857    19.632    20.963  4.1323  10.348  4.2993  10.61473       5.963181 
1 1 1 15  -33 7  o 13.885  2.9316  26.513    12.861    52.101    20.305    9.3717    16.619    17.951  4.2828  9.8181  4.0042  8.132828       5.863104 
1 1 1 15  -33 8  o 22.732  3.0940  83.636    18.025    78.877    26.955    87.485    24.242    21.787  4.7528  23.676  3.9627  -1.889467      6.188058 
1 1 1 15  -33 9  o 8.4358  3.6804  0.9684    15.676    0.0000    0.0000    0.9684    15.676    ?       ?       8.4358  3.6804  ?              ?        
1 1 1 15  -33 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 15 o 19.434  6.6361  80.430    41.470    80.430    41.470    0.0000    0.0000    19.434  6.6361  ?       ?       ?              ?        
1 1 1 15  -33 16 o 13.700  5.8516  27.785    38.014    27.785    38.014    0.0000    0.0000    13.700  5.8516  ?       ?       ?              ?        
1 1 1 15  -33 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -33 22 o 9.4606  4.1908  3.4511    21.051    0.0000    0.0000    3.4511    21.051    ?       ?       9.4606  4.1908  ?              ?        
1 1 1 15  -33 23 o 21.377  3.3477  87.086    19.269    54.351    29.104    112.632   25.710    16.296  5.5594  26.459  3.7314  -10.16307      6.695499 
1 1 1 15  -33 24 o 22.570  3.2973  92.112    20.213    146.636   29.962    46.568    27.383    29.991  3.8162  15.149  5.3781  14.84228       6.594549 
1 1 1 15  -33 25 o 15.044  3.7350  46.560    18.723    43.407    28.511    48.950    24.827    14.434  5.4290  15.654  5.1309  -1.220342      7.469975 
1 1 1 15  -33 26 o 21.565  3.5697  89.528    20.619    116.303   30.436    66.816    28.031    25.261  4.6702  17.868  5.4000  7.393227       7.139387 
1 1 1 15  -33 27 o 12.551  3.5434  31.210    18.065    27.827    27.022    33.944    24.290    12.135  5.0431  12.966  4.9791  -0.8303862     7.086892 
1 1 1 15  -33 28 f 15.974  3.6784  54.062    19.638    84.684    29.408    29.419    26.382    19.837  5.3930  12.111  5.0037  7.726345       7.356762 
1 1 1 15  -33 29 o 13.595  3.6779  43.757    19.725    29.202    29.664    55.292    26.408    11.803  5.1066  15.387  5.2944  -3.583799      7.355811 
1 1 1 15  -33 30 o 13.449  3.4021  40.591    18.859    7.0346    28.441    66.923    25.194    9.6708  4.5042  17.227  5.0999  -7.556709      6.804187 
1 1 1 15  -33 31 f 9.9088  3.1392  16.212    17.164    16.159    25.496    16.256    23.213    9.9470  4.4931  9.8707  4.3853  0.7626438E-01  6.278447 
1 1 1 15  -32 0  o 10.195  2.8354  7.6852    11.924    23.019    18.408    -3.4015   15.652    12.426  4.4097  7.9653  3.5655  4.460349       5.670826 
1 1 1 15  -32 1  o 26.190  2.7310  105.411   18.327    90.815    26.448    118.892   25.418    24.077  4.2570  28.304  3.4222  -4.227722      5.461962 
1 1 1 15  -32 2  o 12.288  2.9642  18.349    13.112    39.239    19.512    1.1507    17.705    15.594  4.4517  8.9822  3.9153  6.611421       5.928473 
1 1 1 15  -32 3  o 10.201  2.9121  10.345    12.434    4.0016    19.446    14.732    16.172    9.6751  4.1602  10.727  4.0761  -1.051534      5.824265 
1 1 1 15  -32 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -32 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -32 6  o 8.1240  3.6671  -4.8801   16.950    -4.8801   16.950    0.0000    0.0000    8.1240  3.6671  ?       ?       ?              ?        
1 1 1 15  -32 7  o 15.022  3.1600  36.333    13.619    36.474    20.261    36.217    18.395    15.000  4.6029  15.044  4.3308  -0.4383755E-01 6.320024 
1 1 1 15  -32 8  f 19.216  3.0711  59.339    15.388    54.609    23.077    63.126    20.649    18.249  4.6944  20.184  3.9609  -1.935072      6.142115 
1 1 1 15  -32 9  o 22.468  2.8143  77.235    16.118    101.322   23.958    57.321    21.785    26.016  3.5293  18.919  4.3846  7.096943       5.628568 
1 1 1 15  -32 10 f 16.373  3.2860  43.912    15.029    44.665    22.467    43.302    20.218    16.413  4.8040  16.333  4.4847  0.8017540E-01  6.571987 
1 1 1 15  -32 11 o 11.093  3.0154  15.916    12.468    12.875    20.473    17.709    15.719    10.975  4.4564  11.210  4.0633  -0.2358084     6.030778 
1 1 1 15  -32 12 o 26.097  2.8067  104.873   18.979    108.017   27.642    102.070   26.103    26.416  4.0347  25.777  3.9028  0.6387749      5.613457 
1 1 1 15  -32 13 o 17.127  2.9707  44.073    15.189    81.210    23.101    15.797    20.158    22.929  3.9012  11.325  4.4812  11.60416       5.941431 
1 1 1 15  -32 14 o 9.8242  2.9489  5.0059    13.151    12.803    21.496    0.3420    16.625    11.047  4.5352  8.6010  3.7703  2.446445       5.897795 
1 1 1 15  -32 15 o 15.401  3.0631  33.736    15.187    68.364    23.320    8.2328    20.013    20.588  4.3645  10.214  4.2989  10.37323       6.126116 
1 1 1 15  -32 16 o 9.9554  2.8494  5.9404    13.292    -14.5791  20.229    21.529    17.632    7.9379  3.7299  11.973  4.3086  -4.034983      5.698829 
1 1 1 15  -32 17 o 21.258  3.1004  76.134    17.150    50.470    24.907    99.272    23.649    16.990  5.0802  25.526  3.5556  -8.535891      6.200878 
1 1 1 15  -32 18 o 21.271  3.1134  73.081    17.126    90.117    25.747    59.563    22.935    23.691  4.2117  18.850  4.5863  4.841434       6.226746 
1 1 1 15  -32 19 o 14.555  3.5350  36.305    16.646    42.448    24.709    31.201    22.525    15.462  5.1212  13.648  4.8743  1.813308       7.070055 
1 1 1 15  -32 20 o 25.112  3.0358  102.430   19.628    115.324   28.676    91.064    26.922    26.781  4.1305  23.444  4.4502  3.336601       6.071633 
1 1 1 15  -32 21 o 10.201  3.0638  9.1899    14.461    8.9330    22.336    9.3753    18.974    10.407  4.4662  9.9964  4.1954  0.4101830      6.127678 
1 1 1 15  -32 22 o 13.073  3.2988  25.646    15.419    45.657    23.480    10.473    20.446    15.855  4.9701  10.292  4.3391  5.562920       6.597679 
1 1 1 15  -32 23 o 13.183  3.4014  30.231    15.938    22.771    24.045    36.077    21.286    12.144  4.8650  14.223  4.7549  -2.079633      6.802710 
1 1 1 15  -32 24 o 17.180  5.3729  57.657    27.459    57.657    27.459    0.0000    0.0000    17.180  5.3729  ?       ?       ?              ?        
1 1 1 15  -32 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -32 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -32 27 o 9.8071  3.0773  5.5204    16.076    11.821    23.938    0.3442    21.697    10.516  4.5685  9.0984  4.1241  1.417438       6.154622 
1 1 1 15  -32 28 o 11.919  3.4712  23.793    17.702    31.385    27.295    18.281    23.256    12.765  5.1588  11.072  4.6458  1.692415       6.942354 
1 1 1 15  -32 29 o 10.641  3.1642  10.023    16.618    35.070    24.511    -11.2815  22.606    13.129  5.0112  8.1532  3.8647  4.975508       6.328317 
1 1 1 15  -32 30 o 11.434  3.2170  14.099    16.940    49.607    25.577    -13.6455  22.609    14.964  5.2069  7.9029  3.7794  7.061364       6.433926 
1 1 1 15  -32 31 o 12.563  3.1912  17.399    17.888    70.340    26.794    -25.1727  24.027    17.746  5.2607  7.3804  3.6138  10.36553       6.382375 
1 1 1 15  -32 32 f 15.535  3.6394  57.039    20.590    94.764    30.000    23.445    28.310    20.163  5.4326  10.907  4.8445  9.255470       7.278883 
1 1 1 15  -32 33 o 12.803  3.6630  45.549    19.574    42.348    28.395    48.448    27.020    12.351  5.1542  13.256  5.2062  -0.9048653     7.325962 
1 1 1 15  -31 0  f 15.485  4.4711  38.176    19.579    0.0000    0.0000    38.176    19.579    ?       ?       15.485  4.4711  ?              ?        
1 1 1 15  -31 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -31 2  o 14.369  3.0945  31.917    13.955    16.474    20.199    46.020    19.303    11.602  4.5170  17.135  4.2310  -5.533510      6.189067 
1 1 1 15  -31 3  o 13.384  3.0772  26.610    12.610    33.789    19.368    21.329    16.613    14.653  4.5009  12.114  4.1974  2.539193       6.154406 
1 1 1 15  -31 4  o 17.924  3.0081  49.402    14.310    62.707    21.414    38.665    19.236    20.188  4.1002  15.660  4.4026  4.528337       6.016156 
1 1 1 15  -31 5  o 29.271  2.4965  126.734   18.982    110.964   27.064    142.003   26.631    27.237  3.8143  31.306  3.2219  -4.068199      4.992982 
1 1 1 15  -31 6  o 9.5007  2.7321  6.8018    11.351    -4.8885   18.642    13.690    14.310    8.6062  3.8689  10.395  3.8587  -1.789008      5.464250 
1 1 1 15  -31 7  o 13.809  3.1435  29.220    13.178    30.345    19.448    28.265    17.919    14.023  4.5379  13.595  4.3514  0.4286366      6.287064 
1 1 1 15  -31 8  o 16.872  3.0143  42.213    14.149    65.706    21.824    25.177    18.584    20.732  4.0754  13.013  4.4424  7.719137       6.028592 
1 1 1 15  -31 9  o 13.984  3.1885  30.249    13.629    26.923    20.658    32.812    18.136    13.433  4.6792  14.534  4.3326  -1.100766      6.377008 
1 1 1 15  -31 10 o 13.161  2.6879  24.067    12.736    -6.2314   19.383    47.088    16.896    8.6481  3.9110  17.674  3.6883  -9.025923      5.375813 
1 1 1 15  -31 11 o 12.286  3.0533  18.367    13.006    34.848    20.252    6.7991    16.967    14.888  4.6074  9.6842  4.0079  5.203748       6.106677 
1 1 1 15  -31 12 o 19.447  2.9936  58.119    15.130    67.524    22.529    50.391    20.421    20.944  4.1626  17.950  4.3033  2.994308       5.987136 
1 1 1 15  -31 13 o 15.854  3.1504  40.961    14.618    25.886    22.416    52.114    19.281    13.309  4.8479  18.399  4.0245  -5.090009      6.300704 
1 1 1 15  -31 14 o 13.676  3.1499  28.742    14.000    15.948    20.948    39.068    18.820    11.614  4.5769  15.739  4.3290  -4.125071      6.299805 
1 1 1 15  -31 15 o 9.2623  2.7823  0.7987    11.883    13.617    19.631    -6.6137   14.928    11.073  4.4093  7.4519  3.3944  3.620796       5.564515 
1 1 1 15  -31 16 o 11.718  3.1271  17.750    13.344    23.463    20.393    13.473    17.646    12.687  4.6235  10.749  4.2116  1.938279       6.254207 
1 1 1 15  -31 17 o 19.859  3.0455  61.895    15.870    82.413    23.477    44.629    21.536    23.187  3.9198  16.531  4.6620  6.656048       6.090916 
1 1 1 15  -31 18 o 28.384  2.6292  121.794   19.500    125.527   28.048    118.301   27.129    28.805  3.7224  27.962  3.7141  0.8428040      5.258401 
1 1 1 15  -31 19 o 21.143  3.1986  74.724    17.771    50.682    25.730    96.654    24.574    17.144  5.1719  25.142  3.7649  -7.998478      6.397123 
1 1 1 15  -31 20 o 10.518  2.9331  9.8648    13.640    -9.9656   20.915    24.541    17.993    8.4693  3.9162  12.567  4.3675  -4.097373      5.866146 
1 1 1 15  -31 21 f 8.6006  2.5800  -2.5470   12.104    -30.4138  19.607    14.612    15.386    6.7282  3.2881  10.473  3.9768  -3.744819      5.160073 
1 1 1 15  -31 22 o 11.245  3.1534  12.090    14.930    30.935    22.641    -2.4105   19.861    13.621  4.8844  8.8695  3.9898  4.751859       6.306811 
1 1 1 15  -31 23 o 31.072  2.6644  150.092   21.531    174.206   31.451    128.821   29.539    33.679  3.5394  28.465  3.9834  5.214050       5.328736 
1 1 1 15  -31 24 o 11.665  3.3332  18.976    16.098    17.838    23.846    19.929    21.819    11.605  4.7719  11.725  4.6550  -0.1206484     6.666326 
1 1 1 15  -31 25 f 15.511  3.4034  44.212    17.116    23.559    25.591    60.931    23.025    12.344  4.9929  18.677  4.6265  -6.333002      6.806842 
1 1 1 15  -31 26 o 28.170  2.8717  130.178   21.012    132.178   30.571    128.388   28.929    28.247  4.1656  28.093  3.9540  0.1541824      5.743354 
1 1 1 15  -31 27 o 9.8016  3.0110  -3.1848   15.944    26.304    24.176    -25.8860  21.212    12.435  4.9116  7.1679  3.4845  5.267214       6.022089 
1 1 1 15  -31 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -31 29 o 14.972  5.0783  44.587    24.283    0.0000    0.0000    44.587    24.283    ?       ?       14.972  5.0783  ?              ?        
1 1 1 15  -31 30 o 12.934  3.4149  28.677    17.551    52.386    25.373    6.9258    24.303    15.934  5.1854  9.9338  4.4451  6.000201       6.829820 
1 1 1 15  -31 31 o 19.796  3.6392  79.753    19.906    99.739    28.999    61.943    27.375    22.736  4.9058  16.855  5.3766  5.881166       7.278365 
1 1 1 15  -31 32 o 11.020  3.2558  18.072    17.431    -2.3583   25.354    36.386    24.005    9.0142  4.2164  13.025  4.9622  -4.011196      6.511619 
1 1 1 15  -31 33 o 11.096  3.3652  23.682    18.046    18.831    26.415    27.927    24.712    10.626  4.7013  11.567  4.8161  -0.9414482     6.730305 
1 1 1 15  -31 34 o 8.7510  2.8912  -1.3133   17.337    14.717    24.114    -18.4664  24.944    9.8503  4.4163  7.6517  3.7327  2.198534       5.782467 
1 1 1 15  -31 35 o 11.730  3.4149  34.386    19.033    10.796    27.463    56.191    26.403    9.3562  4.3802  14.105  5.2402  -4.748272      6.829754 
1 1 1 15  -30 0  o 32.016  2.3417  147.911   19.658    169.069   28.433    128.537   27.208    34.350  3.1245  29.682  3.4889  4.668312       4.683467 
1 1 1 15  -30 1  o 9.3401  2.6948  5.7429    10.683    11.761    16.223    1.1348    14.196    10.392  4.0475  8.2882  3.5589  2.103819       5.389605 
1 1 1 15  -30 2  o 10.222  2.7922  8.9230    11.326    20.416    16.957    -0.3350   15.219    12.085  4.2376  8.3595  3.6372  3.725947       5.584496 
1 1 1 15  -30 3  f 9.4626  2.6351  7.1101    10.543    -5.1316   16.393    15.746    13.769    8.0934  3.6341  10.832  3.8170  -2.738455      5.270267 
1 1 1 15  -30 4  f 37.837  2.1521  202.914   21.623    207.725   30.897    198.297   30.271    38.283  3.0382  37.392  3.0490  0.8908463      4.304264 
1 1 1 15  -30 5  o 19.010  2.8326  53.909    13.917    59.307    20.849    49.571    18.692    19.858  4.0568  18.163  3.9543  1.694859       5.665203 
1 1 1 15  -30 6  o 25.055  2.5522  92.011    16.495    85.576    24.234    97.565    22.515    24.060  3.8935  26.049  3.3009  -1.989380      5.104474 
1 1 1 15  -30 7  o 20.208  2.8183  61.080    14.690    60.151    21.374    61.911    20.224    19.986  4.1293  20.430  3.8368  -0.4432411     5.636698 
1 1 1 15  -30 8  o 13.497  3.0397  27.154    12.660    19.576    19.265    32.914    16.796    12.228  4.4882  14.766  4.1007  -2.538405      6.079462 
1 1 1 15  -30 9  o 31.917  2.3105  145.442   19.443    155.681   27.891    135.762   27.119    33.065  3.1888  30.769  3.3444  2.295828       4.620976 
1 1 1 15  -30 10 o 12.593  3.1827  21.577    13.486    22.997    20.539    20.501    17.880    12.936  4.6507  12.249  4.3461  0.6870346      6.365395 
1 1 1 15  -30 11 o 12.334  2.9720  20.099    13.036    3.0854    19.793    33.133    17.324    9.8780  4.2209  14.790  4.1851  -4.912185      5.943943 
1 1 1 15  -30 12 o 18.909  3.0535  54.195    15.138    63.022    22.310    46.662    20.609    20.399  4.2222  17.419  4.4123  2.980860       6.107036 
1 1 1 15  -30 13 o 9.1422  2.7233  3.8257    11.202    3.3390    17.693    4.1513    14.473    9.4488  4.0129  8.8357  3.6828  0.6131630      5.446696 
1 1 1 15  -30 14 o 7.0067  2.2630  -8.0088   9.6609    -20.8997  16.275    -0.9953   12.005    6.6254  3.1785  7.3880  3.2221  -0.7626047     4.526012 
1 1 1 15  -30 15 o 16.370  2.7695  43.683    13.871    9.5677    21.269    68.934    18.298    10.922  4.5007  21.818  3.2286  -10.89608      5.538931 
1 1 1 15  -30 16 o 27.549  2.5909  112.456   18.294    133.065   25.828    91.708    25.915    30.407  3.2202  24.691  4.0596  5.715410       5.181731 
1 1 1 15  -30 17 o 15.799  3.1813  39.109    14.083    38.904    20.848    39.281    19.098    15.720  4.6353  15.877  4.3584  -0.1567202     6.362514 
1 1 1 15  -30 18 o 21.628  2.9566  71.914    16.479    69.665    23.939    73.938    22.718    21.178  4.3654  22.077  3.9886  -0.8996315     5.913193 
1 1 1 15  -30 19 o 16.619  3.2989  44.233    15.246    45.527    22.536    43.141    20.701    16.787  4.7813  16.451  4.5465  0.3354664      6.597893 
1 1 1 15  -30 20 o 22.771  2.9047  81.382    16.811    61.657    24.154    99.914    23.412    19.554  4.6750  25.988  3.4486  -6.433706      5.809329 
1 1 1 15  -30 21 o 25.877  2.7144  102.156   18.144    95.315    26.272    108.394   25.087    24.831  4.0928  26.922  3.5667  -2.091480      5.428858 
1 1 1 15  -30 22 o 25.797  2.7805  101.772   18.457    120.097   27.187    86.102    25.139    28.158  3.6938  23.436  4.1570  4.721684       5.560957 
1 1 1 15  -30 23 o 16.769  3.3668  47.296    15.789    48.646    23.341    46.158    21.439    16.908  4.8816  16.629  4.6381  0.2789822      6.733655 
1 1 1 15  -30 24 o 9.7965  2.9075  4.9578    13.868    -11.5843  21.146    17.443    18.370    8.3374  3.8834  11.256  4.3282  -2.918073      5.815021 
1 1 1 15  -30 25 o 9.7319  2.9611  0.1928    14.628    19.301    22.074    -14.7693  19.533    11.772  4.6794  7.6917  3.6298  4.080366       5.922199 
1 1 1 15  -30 26 o 13.823  3.4321  33.369    16.189    24.167    24.489    40.513    21.576    12.487  4.9397  15.159  4.7663  -2.672748      6.864292 
1 1 1 15  -30 27 o 17.932  3.4570  57.367    17.746    79.442    26.242    38.766    24.089    21.327  4.7188  14.536  5.0534  6.791034       6.914057 
1 1 1 15  -30 28 o 10.555  2.9836  8.7766    14.793    -15.9136  21.542    30.809    20.349    7.8906  3.7496  13.219  4.6419  -5.328639      5.967129 
1 1 1 15  -30 29 o 22.141  3.4349  88.828    19.779    93.106    28.983    85.098    27.060    22.560  4.9338  21.723  4.7804  0.8374844      6.869883 
1 1 1 15  -30 30 o 13.304  5.0867  33.837    25.282    33.837    25.282    0.0000    0.0000    13.304  5.0867  ?       ?       ?              ?        
1 1 1 15  -30 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -30 32 o 5.6797  2.0233  -50.1159  13.959    -45.9091  20.635    -53.6653  18.954    5.9950  3.0039  5.3645  2.7113  0.6304955      4.046563 
1 1 1 15  -30 33 o 15.124  3.7781  51.648    19.093    55.829    27.633    47.829    26.412    15.639  5.4138  14.609  5.2714  1.029667       7.556211 
1 1 1 15  -30 34 o 8.5080  2.8002  -8.7260   16.542    -33.6041  24.095    13.453    22.750    7.0056  3.4662  10.010  4.3988  -3.004720      5.600348 
1 1 1 15  -30 35 o 12.010  3.5004  33.032    18.647    45.493    26.707    21.178    26.048    13.385  5.1987  10.635  4.6889  2.749585       7.000841 
1 1 1 15  -30 36 o 10.207  3.2234  20.697    18.057    24.899    25.283    16.322    25.799    10.593  4.6464  9.8201  4.4690  0.7729502      6.446798 
1 1 1 15  -29 0  o 33.186  2.2364  156.387   19.590    145.074   27.681    167.739   27.727    31.900  3.2867  34.472  3.0339  -2.571295      4.472883 
1 1 1 15  -29 1  o 10.172  2.7662  10.880    10.784    5.3990    16.423    15.035    14.299    9.5217  3.9421  10.823  3.8817  -1.301220      5.532395 
1 1 1 15  -29 2  o 24.638  2.5129  87.405    16.033    98.203    23.203    77.538    22.180    26.193  3.3867  23.082  3.7135  3.110216       5.025852 
1 1 1 15  -29 3  o 52.899  2.0988  390.996   29.615    399.787   42.196    382.463   41.574    53.495  2.9564  52.302  2.9800  1.192383       4.197691 
1 1 1 15  -29 4  o 35.659  2.1151  178.077   20.000    187.397   28.715    169.296   27.873    36.588  2.9552  34.729  3.0267  1.859238       4.230142 
1 1 1 15  -29 5  o 37.511  2.1570  197.576   21.438    184.773   30.420    210.209   30.217    36.230  3.1665  38.791  2.9299  -2.561142      4.314076 
1 1 1 15  -29 6  o 37.015  2.1451  192.070   21.013    210.268   29.951    174.430   29.489    38.822  2.9013  35.209  3.1606  3.613560       4.290290 
1 1 1 15  -29 7  o 47.003  2.0690  307.971   25.885    326.080   36.728    290.097   36.488    48.431  2.8438  45.574  3.0060  2.857025       4.138003 
1 1 1 15  -29 8  o 38.647  2.1769  209.355   22.337    216.332   31.607    202.393   31.572    39.323  3.0240  37.970  3.1323  1.353611       4.353883 
1 1 1 15  -29 9  o 28.597  2.4210  116.418   18.170    115.407   25.896    117.398   25.503    28.451  3.4700  28.744  3.3768  -0.2927113     4.841907 
1 1 1 15  -29 10 o 30.341  2.3805  130.746   18.992    128.695   27.427    132.635   26.325    30.058  3.4704  30.625  3.2593  -0.5671062     4.760985 
1 1 1 15  -29 11 o 36.056  2.2644  184.078   21.480    163.426   30.705    203.870   30.059    33.925  3.4260  38.187  2.9620  -4.262272      4.528882 
1 1 1 15  -29 12 o 23.121  2.7614  77.601    16.003    113.708   23.947    48.469    21.510    28.338  3.2118  17.903  4.4928  10.43425       5.522730 
1 1 1 15  -29 13 f 12.261  3.0935  19.256    12.531    23.543    20.363    16.643    15.898    13.137  4.6405  11.385  4.0919  1.752225       6.186937 
1 1 1 15  -29 14 o 13.833  3.0832  28.148    12.776    25.917    18.987    29.994    17.270    13.450  4.4908  14.216  4.2257  -0.7652941     6.166335 
1 1 1 15  -29 15 o 27.926  2.5090  112.285   18.255    124.465   26.077    100.582   25.562    29.529  3.3567  26.323  3.7299  3.206184       5.017966 
1 1 1 15  -29 16 o 12.841  3.0427  20.930    13.243    36.738    19.426    7.2061    18.100    15.558  4.4419  10.124  4.1595  5.434075       6.085383 
1 1 1 15  -29 17 o 7.3441  2.4213  -12.9199  11.514    -12.3933  17.691    -13.3068  15.165    7.7401  3.5870  6.9481  3.2535  0.7920065      4.842695 
1 1 1 15  -29 18 o 18.378  3.0976  50.874    15.268    68.706    22.758    36.280    20.589    21.382  4.1231  15.373  4.6240  6.009709       6.195228 
1 1 1 15  -29 19 o 12.078  3.0279  19.238    13.025    7.0476    19.589    28.898    17.438    10.312  4.2903  13.845  4.2738  -3.532619      6.055761 
1 1 1 15  -29 20 o 9.2547  2.8239  1.5387    12.759    -2.0087   19.389    4.2480    16.945    9.1376  4.0362  9.3717  3.9506  -0.2340288     5.647828 
1 1 1 15  -29 21 o 29.847  2.4773  130.264   19.414    133.145   28.074    127.623   26.878    30.136  3.5458  29.558  3.4605  0.5782337      4.954549 
1 1 1 15  -29 22 o 28.177  2.5586  117.047   18.576    142.376   27.198    94.902    25.432    31.277  3.2963  25.077  3.9142  6.199938       5.117239 
1 1 1 15  -29 23 o 7.1500  2.3818  -15.9368  12.029    -28.0873  18.788    -7.4975   15.658    6.7515  3.2814  7.5484  3.4530  -0.7968950     4.763534 
1 1 1 15  -29 24 o 31.202  2.5054  144.915   20.465    162.808   29.669    128.675   28.266    33.185  3.3853  29.219  3.6942  3.966330       5.010717 
1 1 1 15  -29 25 o 7.6747  2.5357  -12.9020  12.639    -6.9215   19.730    -17.0634  16.458    8.5063  3.8854  6.8432  3.2592  1.663164       5.071384 
1 1 1 15  -29 26 o 10.411  3.0811  9.8560    14.279    10.361    21.980    9.4874    18.783    10.697  4.5039  10.125  4.2057  0.5725746      6.162245 
1 1 1 15  -29 27 o 19.568  3.3830  65.892    17.670    75.444    25.385    56.914    24.611    21.162  4.6090  17.974  4.9532  3.187870       6.765915 
1 1 1 15  -29 28 o 16.526  3.5374  49.260    17.032    55.722    24.926    43.602    23.326    17.514  5.0413  15.539  4.9638  1.975002       7.074864 
1 1 1 15  -29 29 o 11.385  3.2269  18.064    15.253    10.465    21.706    25.476    21.437    10.370  4.4254  12.400  4.6976  -2.029467      6.453779 
1 1 1 15  -29 30 o 22.140  3.2318  91.878    19.792    41.035    28.276    140.718   27.714    14.434  5.4110  29.846  3.5354  -15.41274      6.463537 
1 1 1 15  -29 31 o 10.086  3.0494  6.8443    15.625    -10.2525  22.398    23.054    21.809    8.3678  3.9296  11.804  4.6642  -3.436385      6.098886 
1 1 1 15  -29 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -29 33 o 10.883  4.6231  17.036    23.493    0.0000    0.0000    17.036    23.493    ?       ?       10.883  4.6231  ?              ?        
1 1 1 15  -29 34 o 7.0503  2.4062  -27.0875  14.355    -1.4360   19.860    -55.1537  20.774    8.4334  3.8692  5.6672  2.8616  2.766170       4.812446 
1 1 1 15  -29 35 o 7.3047  2.5022  -25.0354  15.314    -1.4864   22.100    -46.7880  21.240    8.6187  3.9995  5.9907  3.0081  2.628038       5.004427 
1 1 1 15  -29 36 o 10.311  3.2589  16.111    18.437    25.071    27.115    8.4058    25.145    11.097  4.8410  9.5259  4.3643  1.570858       6.517824 
1 1 1 15  -29 37 o 12.534  3.4721  37.771    19.901    4.9513    28.965    67.116    27.389    9.2290  4.3746  15.840  5.3931  -6.610843      6.944252 
1 1 1 15  -28 0  o 38.154  2.1310  203.231   21.596    200.958   30.717    205.454   30.368    37.923  3.0498  38.384  2.9770  -0.4612846     4.261908 
1 1 1 15  -28 1  o 21.202  2.5413  64.759    13.898    60.921    19.735    68.535    19.576    20.510  3.7297  21.893  3.4527  -1.382467      5.082549 
1 1 1 15  -28 2  o 54.468  2.0817  411.236   30.256    416.806   43.060    405.804   42.521    54.834  2.9425  54.102  2.9454  0.7323532      4.163386 
1 1 1 15  -28 3  o 28.056  2.2610  110.867   16.625    103.511   23.835    117.836   23.200    27.071  3.3595  29.042  3.0269  -1.970825      4.521970 
1 1 1 15  -28 4  o 37.818  2.0383  198.343   20.474    191.107   29.094    205.441   28.816    37.100  2.9523  38.536  2.8112  -1.436337      4.076574 
1 1 1 15  -28 5  o 9.5695  2.2217  4.4226    9.3513    -25.9181  14.602    25.515    12.175    5.8506  2.8545  13.288  3.4052  -7.437875      4.443366 
1 1 1 15  -28 6  o 32.173  2.1779  144.261   18.530    149.940   26.434    138.774   25.984    32.816  3.0420  31.530  3.1176  1.285734       4.355771 
1 1 1 15  -28 7  o 53.705  2.0530  398.436   29.420    392.504   41.561    404.393   41.651    53.293  2.9228  54.118  2.8838  -0.8252029     4.105955 
1 1 1 15  -28 8  o 21.772  2.7511  70.482    15.137    50.172    21.962    88.861    20.893    18.389  4.4963  25.154  3.1714  -6.764984      5.502251 
1 1 1 15  -28 9  o 45.303  2.0603  284.032   24.854    292.166   34.982    275.740   35.319    45.990  2.8539  44.617  2.9725  1.373779       4.120697 
1 1 1 15  -28 10 o 18.353  2.9271  49.389    14.035    51.197    20.349    47.749    19.384    18.668  4.1744  18.039  4.1043  0.6292286      5.854144 
1 1 1 15  -28 11 o 12.267  2.7822  14.753    11.904    38.714    18.372    -2.5830   15.628    16.210  4.1981  8.3251  3.6523  7.884575       5.564469 
1 1 1 15  -28 12 o 61.675  2.1469  527.326   35.324    566.012   50.053    488.938   49.859    64.044  2.9178  59.306  3.1501  4.738415       4.293812 
1 1 1 15  -28 13 o 42.503  2.1398  251.184   24.197    256.360   34.268    246.036   34.173    42.956  2.9971  42.049  3.0550  0.9070816      4.279674 
1 1 1 15  -28 14 o 13.962  3.0183  28.368    12.637    20.375    18.764    35.002    17.095    12.512  4.4509  15.411  4.0780  -2.899037      6.036598 
1 1 1 15  -28 15 o 25.123  2.5235  90.207    16.498    90.269    23.600    90.148    23.074    25.112  3.6125  25.133  3.5245  -0.2072906E-01 5.047014 
1 1 1 15  -28 16 o 12.267  2.9975  20.289    12.092    15.837    18.093    23.882    16.256    11.587  4.3314  12.947  4.1447  -1.360669      5.994910 
1 1 1 15  -28 17 o 11.057  3.0282  12.599    12.680    15.132    19.385    10.704    16.764    11.637  4.4529  10.476  4.1050  1.160684       6.056382 
1 1 1 15  -28 18 o 27.345  2.3824  106.431   17.038    115.935   24.555    97.607    23.660    28.584  3.2658  26.107  3.4696  2.477505       4.764806 
1 1 1 15  -28 19 o 37.873  2.1758  201.863   21.830    219.290   31.245    185.240   30.514    39.540  2.9719  36.207  3.1787  3.333374       4.351574 
1 1 1 15  -28 20 o 19.153  3.1128  55.994    15.641    51.621    22.723    59.931    21.560    18.320  4.6290  19.985  4.1629  -1.665440      6.225569 
1 1 1 15  -28 21 o 15.645  3.2457  37.800    14.598    32.529    21.551    42.269    19.843    14.685  4.7789  16.606  4.3933  -1.920654      6.491489 
1 1 1 15  -28 22 o 42.735  2.1751  259.209   24.726    265.243   35.390    253.454   34.560    43.222  3.0771  42.247  3.0752  0.9742317      4.350284 
1 1 1 15  -28 23 o 35.383  2.4625  186.182   22.078    137.542   31.857    231.132   30.624    30.340  4.0190  40.426  2.8464  -10.08586      4.924917 
1 1 1 15  -28 24 o 38.360  2.2400  211.730   22.788    216.001   33.080    207.872   31.436    38.684  3.2219  38.036  3.1129  0.6483002      4.480049 
1 1 1 15  -28 25 o 14.564  3.3100  33.714    14.710    30.463    21.267    36.695    20.368    13.978  4.7524  15.150  4.6086  -1.171440      6.619990 
1 1 1 15  -28 26 o 8.4496  2.6984  -5.4927   13.057    -0.8246   18.694    -9.9396   18.245    8.9619  3.9606  7.9374  3.6658  1.024486       5.396749 
1 1 1 15  -28 27 o 27.505  2.6901  116.461   18.932    138.865   26.949    94.632    26.601    30.538  3.3497  24.471  4.2103  6.067072       5.380208 
1 1 1 15  -28 28 o 13.847  2.4158  15.350    14.315    -40.8352  20.355    70.337    20.137    6.3694  3.1575  21.325  3.6571  -14.95532      4.831578 
1 1 1 15  -28 29 o 9.2716  2.9022  -0.1133   14.432    9.0225    21.047    -8.2202   19.827    10.273  4.3702  8.2701  3.8202  2.002986       5.804486 
1 1 1 15  -28 30 o 13.717  3.4664  32.830    16.343    40.877    23.425    25.197    22.813    14.968  4.9878  12.466  4.8152  2.501572       6.932796 
1 1 1 15  -28 31 o 10.038  2.9553  4.1438    14.966    -19.9945  21.634    26.298    20.726    7.6342  3.6630  12.442  4.6388  -4.807859      5.910677 
1 1 1 15  -28 32 o 12.299  3.2064  22.783    15.874    0.1966    22.819    43.961    22.097    9.3088  4.2234  15.289  4.8256  -5.980044      6.412812 
1 1 1 15  -28 33 o 18.508  3.6171  67.732    19.048    82.946    26.983    52.618    26.894    21.084  4.8753  15.931  5.3446  5.152795       7.234167 
1 1 1 15  -28 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -28 35 f 24.354  3.3993  112.727   21.355    140.568   30.985    87.537    29.473    28.166  4.2384  20.543  5.3157  7.623541       6.798576 
1 1 1 15  -28 36 o 13.063  3.5012  33.229    18.358    60.245    27.273    10.850    24.823    16.136  5.3821  9.9899  4.4797  6.145839       7.002484 
1 1 1 15  -28 37 o 10.321  3.2395  15.535    18.559    0.7913    27.279    28.240    25.323    9.1685  4.3154  11.474  4.8327  -2.305308      6.479064 
1 1 1 15  -28 38 o 11.367  3.4972  32.253    20.082    23.958    28.251    40.725    28.551    10.576  4.7579  12.158  5.1269  -1.582208      6.994449 
1 1 1 15  -27 0  f 54.779  2.0918  414.168   30.557    432.535   43.381    396.081   43.049    56.018  2.9012  53.539  3.0142  2.479225       4.183604 
1 1 1 15  -27 1  o 23.043  2.4575  75.201    14.511    90.967    21.007    60.812    20.068    25.507  3.1412  20.579  3.7802  4.928041       4.915001 
1 1 1 15  -27 2  o 12.978  2.6942  22.087    10.557    36.342    15.943    10.954    14.089    15.835  3.8059  10.120  3.8144  5.715627       5.388396 
1 1 1 15  -27 3  o 35.616  2.0297  175.217   19.164    166.184   27.336    183.947   26.875    34.670  2.9724  36.563  2.7647  -1.893150      4.059405 
1 1 1 15  -27 4  o 15.823  2.6952  35.991    11.313    41.855    16.546    30.842    15.504    17.039  3.7290  14.607  3.8923  2.431627       5.390343 
1 1 1 15  -27 5  o 13.782  2.0908  27.918    10.140    -13.2210  15.739    57.113    13.259    7.2309  3.3621  20.333  2.4863  -13.10223      4.181536 
1 1 1 15  -27 6  o 19.227  2.6530  52.760    13.152    62.382    19.229    44.303    18.027    20.960  3.5520  17.494  3.9418  3.465921       5.306089 
1 1 1 15  -27 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 13 o 12.288  5.0496  10.026    26.682    10.026    26.682    0.0000    0.0000    12.288  5.0496  ?       ?       ?              ?        
1 1 1 15  -27 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 19 o 31.160  2.8779  143.106   21.722    131.229   37.240    149.231   26.742    29.678  4.8525  32.642  3.0957  -2.963810      5.755896 
1 1 1 15  -27 20 o 24.159  2.5611  83.854    15.863    101.367   23.036    68.061    21.876    26.740  3.2854  21.578  3.9298  5.162533       5.122232 
1 1 1 15  -27 21 f 14.888  3.1453  32.624    13.660    40.275    19.840    25.729    18.834    16.346  4.4238  13.430  4.4722  2.915762       6.290515 
1 1 1 15  -27 22 o 30.865  2.3481  136.084   19.028    127.711   27.418    143.863   26.429    29.839  3.4968  31.890  3.1346  -2.051149      4.696104 
1 1 1 15  -27 23 o 36.911  2.1737  192.831   21.275    187.064   30.384    198.378   29.798    36.314  3.1551  37.507  2.9910  -1.193287      4.347496 
1 1 1 15  -27 24 o 31.355  2.3564  140.691   19.351    162.652   28.315    121.442   26.508    33.762  3.1682  28.948  3.4891  4.813318       4.712846 
1 1 1 15  -27 25 o 9.0831  2.7807  -1.9147   12.796    9.4652    18.933    -11.4824  17.360    10.485  4.2748  7.6812  3.5575  2.803835       5.561409 
1 1 1 15  -27 26 o 25.167  2.7751  97.592    17.472    70.975    25.141    122.455   24.299    21.235  4.5566  29.099  3.1688  -7.863621      5.550131 
1 1 1 15  -27 27 o 16.339  3.3209  43.337    15.289    42.442    22.653    44.086    20.719    16.117  4.8507  16.561  4.5369  -0.4444485     6.641729 
1 1 1 15  -27 28 o 9.6979  2.9027  4.9664    13.289    -2.3791   19.202    11.718    18.409    8.8808  3.9641  10.515  4.2411  -1.634089      5.805302 
1 1 1 15  -27 29 o 17.513  3.2057  51.265    16.138    29.913    22.719    73.008    22.927    13.602  4.8912  21.424  4.1452  -7.822179      6.411479 
1 1 1 15  -27 30 o 10.202  3.0282  8.2737    14.179    16.553    20.679    0.9267    19.479    11.274  4.5134  9.1297  4.0385  2.144183       6.056371 
1 1 1 15  -27 31 f 7.2648  2.4558  -18.3445  13.461    -18.5347  19.504    -18.1715  18.602    7.3551  3.5154  7.1744  3.4302  0.1806993      4.911627 
1 1 1 15  -27 32 o 14.193  3.5241  37.143    16.607    35.533    23.838    38.662    23.148    13.918  5.0097  14.467  4.9578  -0.5497704     7.048220 
1 1 1 15  -27 33 o 22.974  3.3149  94.441    19.751    118.532   28.421    71.938    27.468    26.601  4.1224  19.347  5.1923  7.253918       6.629744 
1 1 1 15  -27 34 o 10.151  3.1446  8.6037    16.606    0.1841    24.072    16.248    22.937    9.4045  4.2941  10.897  4.5951  -1.492488      6.289237 
1 1 1 15  -27 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -27 36 o 9.6852  3.0572  3.9498    16.865    -12.3584  23.921    20.069    23.782    8.2611  3.9331  11.109  4.6815  -2.848104      6.114375 
1 1 1 15  -27 37 o 16.481  3.6937  60.525    20.596    93.899    30.010    30.806    28.319    20.881  5.3436  12.082  5.1009  8.799111       7.387318 
1 1 1 15  -27 38 o 9.5919  3.1020  6.2462    18.269    -8.7835   25.422    22.296    26.271    8.3559  3.9991  10.828  4.7432  -2.471964      6.204093 
1 1 1 15  -27 39 o 13.800  3.8812  58.132    21.585    55.296    31.461    60.654    29.670    13.324  5.4802  14.276  5.4976  -0.9521055     7.762495 
1 1 1 15  -26 0  o 18.503  2.5821  48.913    12.342    51.068    17.506    46.783    17.402    18.936  3.5827  18.070  3.7193  0.8659573      5.164251 
1 1 1 15  -26 1  o 49.653  1.9986  337.704   26.464    328.448   37.326    347.060   37.526    48.954  2.8591  50.352  2.7934  -1.398033      3.997186 
1 1 1 15  -26 2  f 22.002  5.9073  72.696    35.546    0.0000    0.0000    72.696    35.546    ?       ?       22.002  5.9073  ?              ?        
1 1 1 15  -26 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -26 4  o 54.631  2.8601  408.342   41.706    408.342   41.706    0.0000    0.0000    54.631  2.8601  ?       ?       ?              ?        
1 1 1 15  -26 5  o 59.873  2.0421  489.284   32.748    494.541   46.532    484.124   46.097    60.192  2.8862  59.554  2.8899  0.6387787      4.084272 
1 1 1 15  -26 6  o 31.494  2.0900  136.745   17.397    129.098   24.651    144.332   24.554    30.581  3.0503  32.407  2.8580  -1.826498      4.179993 
1 1 1 15  -26 7  o 22.358  2.4053  70.267    13.924    66.799    19.922    73.578    19.470    21.767  3.5385  22.950  3.2590  -1.182627      4.810618 
1 1 1 15  -26 8  o 59.320  2.0299  480.251   32.252    475.732   45.551    484.794   45.673    59.037  2.8806  59.604  2.8609  -0.5672836     4.059870 
1 1 1 15  -26 9  o 54.056  2.0301  400.389   29.161    351.810   41.002    450.114   41.482    50.625  3.0378  57.488  2.6940  -6.862793      4.060276 
1 1 1 15  -26 10 o 48.462  2.0292  321.733   26.215    312.281   36.944    331.320   37.205    47.730  2.9036  49.194  2.8356  -1.463982      4.058460 
1 1 1 15  -26 11 o 37.131  2.0870  190.123   20.475    211.806   29.030    168.657   28.884    39.312  2.7748  34.950  3.1182  4.361904       4.174037 
1 1 1 15  -26 12 f 57.419  2.0905  452.238   32.039    454.307   45.037    450.118   45.590    57.565  2.9306  57.274  2.9821  0.2900925      4.181081 
1 1 1 15  -26 13 o 71.490  2.1464  701.274   41.043    738.682   57.814    663.266   58.276    73.465  2.9380  69.514  3.1299  3.951859       4.292830 
1 1 1 15  -26 14 o 57.144  2.0494  447.336   31.305    434.318   43.827    460.897   44.730    56.251  2.9189  58.036  2.8775  -1.785492      4.098759 
1 1 1 15  -26 15 o 24.740  2.3724  85.922    15.285    91.667    21.677    80.240    21.558    25.616  3.2312  23.864  3.4746  1.751781       4.744805 
1 1 1 15  -26 16 o 53.753  2.0376  397.012   29.225    389.232   40.948    405.089   41.723    53.214  2.8837  54.292  2.8794  -1.078056      4.075108 
1 1 1 15  -26 17 o 32.011  2.1517  142.740   18.088    124.800   25.608    160.601   25.552    29.902  3.2497  34.120  2.8212  -4.217983      4.303464 
1 1 1 15  -26 18 o 58.794  2.0499  475.914   32.168    508.978   45.706    443.459   45.282    60.905  2.8017  56.682  2.9932  4.222652       4.099866 
1 1 1 15  -26 19 o 14.169  3.0999  27.773    13.117    37.423    19.767    20.180    17.534    15.947  4.4556  12.392  4.3112  3.555411       6.199891 
1 1 1 15  -26 20 o 23.091  3.7402  76.523    22.341    76.523    22.341    0.0000    0.0000    23.091  3.7402  ?       ?       ?              ?        
1 1 1 15  -26 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -26 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -26 23 o 37.709  2.1279  199.151   21.210    223.564   30.420    176.056   29.588    40.052  2.8542  35.365  3.1567  4.687138       4.255781 
1 1 1 15  -26 24 o 36.070  2.1885  183.549   20.905    181.151   30.284    185.731   28.894    35.786  3.1929  36.354  2.9940  -0.5677376     4.377083 
1 1 1 15  -26 25 o 9.8312  2.8510  6.2010    12.270    -1.0529   18.222    12.218    16.596    9.0508  3.9579  10.612  4.1047  -1.560844      5.702046 
1 1 1 15  -26 26 o 15.267  3.2667  35.493    14.683    44.182    21.390    27.751    20.191    16.835  4.6089  13.699  4.6307  3.135729       6.533360 
1 1 1 15  -26 27 o 15.011  2.8544  33.035    14.429    0.8559    21.070    61.451    19.800    9.7824  4.2675  20.239  3.7918  -10.45648      5.708723 
1 1 1 15  -26 28 o 13.708  3.2294  27.814    14.439    39.915    20.857    16.678    20.009    15.799  4.6300  11.617  4.5033  4.181883       6.458841 
1 1 1 15  -26 29 o 14.834  3.3493  35.573    15.003    37.813    21.848    33.574    20.638    15.214  4.7980  14.454  4.6745  0.7604666      6.698627 
1 1 1 15  -26 30 o 16.669  3.4034  46.000    16.561    62.424    24.328    31.816    22.608    19.362  4.7313  13.975  4.8935  5.386896       6.806705 
1 1 1 15  -26 31 o 42.487  2.3351  270.621   26.311    260.114   37.761    280.538   36.682    41.511  3.4268  43.463  3.1729  -1.951893      4.670121 
1 1 1 15  -26 32 o 12.717  3.3751  26.162    15.622    30.992    22.613    21.752    21.607    13.447  4.8736  11.987  4.6705  1.459925       6.750195 
1 1 1 15  -26 33 o 10.313  3.0987  9.1109    15.388    19.392    21.618    -1.4466   21.907    11.487  4.6091  9.1381  4.1430  2.349170       6.197411 
1 1 1 15  -26 34 f 11.643  2.8508  3.7242    15.681    51.976    22.082    -45.3627  22.272    16.841  4.7107  6.4440  3.2122  10.39705       5.701685 
1 1 1 15  -26 35 o 8.5940  2.7950  -6.0337   15.246    5.8040    20.916    -19.4542  22.270    9.5069  4.1960  7.6810  3.6935  1.825851       5.590050 
1 1 1 15  -26 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -26 37 o 8.4968  2.8219  -11.3798  16.974    -30.8393  24.526    6.5102    23.516    7.3346  3.6035  9.6591  4.3435  -2.324537      5.643724 
1 1 1 15  -26 38 o 10.870  3.2744  9.9085    18.829    45.647    27.599    -21.2083  25.753    13.865  5.3115  7.8754  3.8309  5.989522       6.548857 
1 1 1 15  -26 39 o 11.764  3.4121  24.667    19.775    -8.2149   27.935    57.700    27.999    8.6324  4.1474  14.896  5.4193  -6.264089      6.824180 
1 1 1 15  -26 40 o 7.4640  2.6030  -22.7845  18.534    -25.6292  25.111    -19.3803  27.470    7.1849  3.5519  7.7432  3.8062  -0.5582647     5.206050 
1 1 1 15  -25 0  o 70.888  4.7473  707.410   89.617    707.410   89.617    0.0000    0.0000    70.888  4.7473  ?       ?       ?              ?        
1 1 1 15  -25 1  o 19.970  2.5006  56.818    12.726    42.123    17.809    72.150    18.191    17.136  3.9596  22.803  3.0551  -5.667408      5.001233 
1 1 1 15  -25 2  o 8.5053  2.4323  3.8893    8.5924    7.8331    13.022    0.8478    11.435    9.3532  3.6308  7.6574  3.2376  1.695820       4.864685 
1 1 1 15  -25 3  o 46.350  1.9572  293.375   24.159    280.981   34.410    305.423   33.928    45.356  2.8469  47.344  2.6865  -1.988186      3.914348 
1 1 1 15  -25 4  o 110.546 2.5883  1679.61   76.635    1687.00   109.100   1672.40   107.670   110.774 3.6771  110.319 3.6438  0.4546738      5.176677 
1 1 1 15  -25 5  o 61.952  2.0332  522.354   33.733    517.296   47.960    527.305   47.455    61.645  2.9047  62.259  2.8457  -0.6138153     4.066342 
1 1 1 15  -25 6  o 76.089  2.1656  789.499   44.134    787.829   62.676    791.142   62.158    76.002  3.0789  76.176  3.0464  -0.1741028     4.331272 
1 1 1 15  -25 7  o 80.643  2.1977  887.357   47.467    877.984   67.281    896.646   66.977    80.207  3.1318  81.078  3.0841  -0.8708115     4.395429 
1 1 1 15  -25 8  o 61.986  2.0313  522.928   33.714    506.149   47.570    539.861   47.788    60.974  2.9128  62.999  2.8320  -2.025932      4.062545 
1 1 1 15  -25 9  o 53.675  1.9913  392.887   28.518    379.145   40.148    406.881   40.514    52.712  2.8542  54.638  2.7775  -1.925663      3.982631 
1 1 1 15  -25 10 o 28.668  2.2735  113.944   17.038    128.143   24.212    100.015   23.981    30.520  3.0006  26.815  3.4165  3.704260       4.547095 
1 1 1 15  -25 11 o 68.896  2.0966  648.224   38.586    702.284   54.572    594.176   54.565    71.826  2.8366  65.967  3.0881  5.858147       4.193204 
1 1 1 15  -25 12 o 30.984  2.2168  133.440   17.891    155.998   25.287    110.827   25.317    33.736  2.8244  28.232  3.4176  5.503275       4.433628 
1 1 1 15  -25 13 o 49.834  1.9808  339.742   26.293    355.371   36.842    323.521   37.535    51.041  2.7046  48.628  2.8949  2.412647       3.961684 
1 1 1 15  -25 14 o 32.813  2.1221  148.290   18.422    139.866   25.915    156.895   26.193    31.841  3.0770  33.785  2.9232  -1.944510      4.244197 
1 1 1 15  -25 15 o 31.066  2.1373  133.318   17.511    122.719   24.694    144.039   24.836    29.774  3.1440  32.357  2.8962  -2.582838      4.274673 
1 1 1 15  -25 16 o 64.024  2.0460  561.049   35.019    597.842   49.367    523.782   49.683    66.188  2.7846  61.861  2.9985  4.327003       4.092091 
1 1 1 15  -25 17 o 22.082  2.5213  69.049    14.374    63.578    20.299    74.550    20.357    21.136  3.7216  23.029  3.4027  -1.893160      5.042656 
1 1 1 15  -25 18 o 28.061  2.2283  110.226   16.281    94.958    23.190    125.066   22.862    26.023  3.4089  30.099  2.8706  -4.075680      4.456605 
1 1 1 15  -25 19 o 10.149  2.8165  8.4630    11.204    13.509    16.836    4.4523    15.010    11.102  4.1727  9.1948  3.7840  1.907544       5.632941 
1 1 1 15  -25 20 o 31.535  2.1609  137.780   17.983    150.418   26.074    126.316   24.834    32.948  2.9870  30.123  3.1233  2.824596       4.321715 
1 1 1 15  -25 21 o 48.774  2.0108  327.958   26.147    326.862   37.421    329.004   36.549    48.675  2.8831  48.873  2.8037  -0.1983948     4.021577 
1 1 1 15  -25 22 o 53.215  2.0484  391.121   29.047    418.991   41.612    364.635   40.565    55.106  2.8287  51.324  2.9634  3.781872       4.096775 
1 1 1 15  -25 23 o 54.617  2.9431  413.577   42.895    413.577   42.895    0.0000    0.0000    54.617  2.9431  ?       ?       ?              ?        
1 1 1 15  -25 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -25 25 o 21.729  3.1609  66.174    17.114    89.586    29.658    54.486    20.955    24.357  4.7164  19.101  4.2095  5.256302       6.321752 
1 1 1 15  -25 26 o 28.637  2.4840  119.655   18.232    98.205    26.397    139.221   25.211    25.873  3.9329  31.401  3.0353  -5.527933      4.967991 
1 1 1 15  -25 27 o 15.417  2.8332  34.895    14.209    3.8003    20.582    63.212    19.641    10.119  4.3135  20.715  3.6745  -10.59601      5.666376 
1 1 1 15  -25 28 o 28.906  2.4849  121.667   18.808    124.732   27.573    119.001   25.720    29.190  3.6030  28.621  3.4229  0.5698662      4.969726 
1 1 1 15  -25 29 o 7.9008  2.5852  -12.1108  13.034    -18.2960  18.443    -5.9398   18.422    7.3583  3.4887  8.4433  3.8161  -1.085006      5.170466 
1 1 1 15  -25 30 o 12.329  3.2721  21.258    14.627    19.756    21.716    22.504    19.788    12.189  4.7008  12.469  4.5529  -0.2803307     6.544187 
1 1 1 15  -25 31 f 11.143  3.1525  13.653    14.702    4.2302    21.373    22.115    20.255    9.9830  4.3269  12.302  4.5859  -2.319308      6.304960 
1 1 1 15  -25 32 o 11.829  3.3044  19.174    15.532    16.088    22.370    22.047    21.582    11.439  4.6532  12.218  4.6930  -0.7795334     6.608822 
1 1 1 15  -25 33 o 14.327  3.3982  35.477    16.236    48.870    22.647    21.313    23.290    16.616  4.8118  12.037  4.7997  4.579154       6.796357 
1 1 1 15  -25 34 o 18.243  3.5976  62.358    18.680    48.693    26.315    76.237    26.521    15.887  5.2861  20.600  4.8813  -4.713164      7.195161 
1 1 1 15  -25 35 o 22.126  3.4005  91.500    20.284    127.310   28.754    56.029    28.618    27.753  3.9822  16.498  5.5133  11.25520       6.801092 
1 1 1 15  -25 36 o 11.767  3.4078  20.457    18.142    3.4127    26.005    36.617    25.321    9.9103  4.5011  13.623  5.1178  -3.712586      6.815533 
1 1 1 15  -25 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -25 38 o 6.5523  2.3090  -46.0146  16.231    -71.6132  23.328    -21.9925  22.598    5.6697  2.8798  7.4349  3.6101  -1.765202      4.618043 
1 1 1 15  -25 39 o 10.598  3.3767  15.024    20.334    26.404    29.628    4.8896    27.958    11.515  5.0409  9.6798  4.4942  1.835512       6.753398 
1 1 1 15  -25 40 o 7.8978  2.6941  -16.4042  17.642    2.4722    23.995    -38.6172  26.029    8.8457  4.1257  6.9498  3.4657  1.895904       5.388167 
1 1 1 15  -25 41 o 10.868  3.4346  30.454    21.001    44.929    29.499    15.580    29.904    12.062  5.1535  9.6728  4.5418  2.389557       6.869287 
1 1 1 15  -24 0  o 66.876  2.0948  608.217   37.514    626.390   53.305    590.385   52.804    67.876  2.9320  65.876  2.9926  2.000259       4.189557 
1 1 1 15  -24 1  o 54.087  1.9883  398.168   28.703    393.684   40.697    402.605   40.488    53.776  2.8354  54.398  2.7881  -0.6221352     3.976592 
1 1 1 15  -24 2  o 10.543  2.5080  13.195    9.0525    3.2405    13.295    21.799    12.361    8.6205  3.5560  12.465  3.5378  -3.844569      5.016100 
1 1 1 15  -24 3  o 41.902  1.9350  239.043   21.560    257.096   30.730    221.542   30.256    43.487  2.6508  40.316  2.8196  3.170982       3.870026 
1 1 1 15  -24 4  o 50.663  1.9272  348.987   26.042    339.455   37.045    358.299   36.616    49.963  2.7792  51.364  2.6707  -1.401535      3.854401 
1 1 1 15  -24 5  o 73.706  2.1174  737.800   41.782    768.646   59.444    707.683   58.738    75.243  2.9495  72.168  3.0387  3.075500       4.234775 
1 1 1 15  -24 6  o 105.891 2.5206  1531.57   71.488    1532.02   101.706   1531.13   100.502   105.895 3.5858  105.888 3.5436  0.6492615E-02  5.041285 
1 1 1 15  -24 7  o 94.030  2.3647  1205.27   59.530    1171.18   84.507    1238.86   83.873    92.680  3.4042  95.380  3.2831  -2.699348      4.729384 
1 1 1 15  -24 8  o 66.333  2.0522  597.231   36.440    572.697   51.458    621.909   51.609    64.949  2.9579  67.716  2.8454  -2.767250      4.104343 
1 1 1 15  -24 9  o 62.817  2.0300  535.389   34.153    538.109   48.095    532.622   48.506    62.983  2.8509  62.650  2.8906  0.3331032      4.059941 
1 1 1 15  -24 10 o 89.624  2.3111  1094.33   55.478    1085.45   78.548    1103.17   78.367    89.253  3.2857  89.995  3.2511  -0.7418289     4.622221 
1 1 1 15  -24 11 o 59.207  2.0472  476.942   32.378    493.925   45.477    459.483   46.109    60.336  2.8140  58.078  2.9740  2.257984       4.094334 
1 1 1 15  -24 12 o 65.484  2.0326  582.550   35.641    591.006   50.028    573.835   50.788    65.980  2.8308  64.987  2.9177  0.9929352      4.065293 
1 1 1 15  -24 13 o 52.772  1.9620  379.283   27.613    386.161   38.529    372.019   39.594    53.286  2.7084  52.259  2.8393  1.027008       3.923959 
1 1 1 15  -24 14 o 16.378  2.8165  38.385    12.223    38.829    17.768    37.986    16.841    16.460  4.0563  16.296  3.9086  0.1641979      5.633011 
1 1 1 15  -24 15 o 31.486  2.0540  136.038   17.127    136.493   24.270    135.588   24.173    31.539  2.9057  31.434  2.9039  0.1049995      4.107997 
1 1 1 15  -24 16 o 35.221  1.9928  169.930   18.632    163.706   26.341    176.163   26.360    34.557  2.8718  35.885  2.7637  -1.328709      3.985642 
1 1 1 15  -24 17 o 39.882  1.9590  217.584   20.795    221.510   29.474    213.693   29.344    40.248  2.7505  39.516  2.7903  0.7317123      3.918034 
1 1 1 15  -24 18 o 46.580  1.9402  296.659   24.088    285.726   33.952    307.739   34.179    45.697  2.7872  47.462  2.6998  -1.764153      3.880379 
1 1 1 15  -24 19 o 41.423  1.9903  236.209   21.848    214.218   31.194    257.385   30.610    39.459  2.9733  43.387  2.6467  -3.927811      3.980651 
1 1 1 15  -24 20 o 72.334  2.1147  717.140   40.966    734.839   58.427    700.026   57.454    73.218  2.9792  71.450  3.0021  1.768074       4.229464 
1 1 1 15  -24 21 o 88.492  2.3342  1081.26   55.313    1065.21   78.662    1096.96   77.794    87.807  3.3446  89.177  3.2569  -1.369972      4.668375 
1 1 1 15  -24 22 o 63.064  2.0571  546.531   34.723    537.795   49.793    554.802   48.446    62.538  2.9726  63.589  2.8444  -1.051067      4.114208 
1 1 1 15  -24 23 o 58.481  2.0483  471.295   32.004    466.066   45.995    476.202   44.560    58.094  2.9658  58.867  2.8261  -0.7730980     4.096646 
1 1 1 15  -24 24 o 10.778  2.9065  10.317    12.080    20.622    17.816    1.5485    16.434    12.480  4.3455  9.0753  3.8612  3.404923       5.813090 
1 1 1 15  -24 25 o 56.165  2.9442  437.764   44.138    437.764   44.138    0.0000    0.0000    56.165  2.9442  ?       ?       ?              ?        
1 1 1 15  -24 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -24 27 o 47.217  2.1436  312.772   26.949    313.714   38.809    311.894   37.452    47.248  3.0835  47.185  2.9786  0.6383133E-01  4.287196 
1 1 1 15  -24 28 o 54.866  2.1626  424.865   31.624    413.012   45.236    436.197   44.228    54.042  3.1386  55.690  2.9758  -1.648525      4.325106 
1 1 1 15  -24 29 o 12.343  3.2325  20.010    14.198    23.437    20.699    16.966    19.512    12.940  4.6670  11.745  4.4739  1.195416       6.465022 
1 1 1 15  -24 30 o 16.686  3.0589  43.729    15.951    12.542    23.041    72.429    22.103    11.482  4.7024  21.890  3.9133  -10.40864      6.117738 
1 1 1 15  -24 31 o 29.526  2.6271  130.869   20.262    127.938   29.411    133.517   27.955    29.076  3.8728  29.977  3.5507  -0.9005318     5.254135 
1 1 1 15  -24 32 o 12.283  3.3683  20.463    15.949    26.363    22.957    14.958    22.174    13.142  4.8856  11.424  4.6383  1.717320       6.736648 
1 1 1 15  -24 33 o 10.855  3.1749  12.618    15.049    11.985    21.512    13.225    21.059    10.803  4.4954  10.908  4.4847  -0.1047430     6.349842 
1 1 1 15  -24 34 o 18.473  3.6686  62.440    19.040    72.369    27.541    53.351    26.351    20.016  5.1173  16.931  5.2582  3.084196       7.337274 
1 1 1 15  -24 35 o 11.012  3.2312  11.355    16.806    30.111    23.883    -7.0431   23.654    13.083  4.9578  8.9419  4.1453  4.140659       6.462420 
1 1 1 15  -24 36 o 13.020  3.5341  28.556    18.457    47.689    26.475    10.465    25.744    15.408  5.3011  10.631  4.6752  4.777012       7.068222 
1 1 1 15  -24 37 o 12.977  3.6432  32.094    19.183    23.913    27.403    39.957    26.864    11.973  5.0343  13.982  5.2677  -2.008599      7.286490 
1 1 1 15  -24 38 o 12.543  5.3484  30.485    31.659    0.0000    0.0000    30.485    31.659    ?       ?       12.543  5.3484  ?              ?        
1 1 1 15  -24 39 f 15.082  3.8304  52.300    21.551    27.791    30.490    76.771    30.466    11.935  5.1705  18.229  5.6527  -6.293869      7.660735 
1 1 1 15  -24 40 o 10.946  3.3964  13.067    20.962    -18.9388  29.043    47.866    30.284    8.3214  4.0524  13.571  5.4517  -5.249809      6.792893 
1 1 1 15  -24 41 o 8.3523  2.8522  -9.4795   19.351    -18.3637  27.526    -0.7972   27.211    7.9040  3.8697  8.8006  4.1913  -0.8966031     5.704497 
1 1 1 15  -23 0  o 41.945  1.9200  239.130   21.442    230.033   30.296    248.260   30.352    41.131  2.7661  42.759  2.6634  -1.628418      3.839922 
1 1 1 15  -23 1  o 42.500  1.9084  245.595   21.526    272.421   30.661    219.521   30.227    44.829  2.5641  40.171  2.8273  4.657810       3.816875 
1 1 1 15  -23 2  o 80.508  2.1801  880.122   46.936    829.133   66.708    930.115   66.053    78.162  3.1864  82.855  2.9763  -4.692795      4.360227 
1 1 1 15  -23 3  o 66.294  2.0279  595.296   35.972    567.615   51.089    622.512   50.657    64.745  2.9460  67.842  2.7877  -3.097534      4.055887 
1 1 1 15  -23 4  o 46.468  1.8778  292.665   23.257    307.289   33.070    278.356   32.713    47.631  2.6020  45.305  2.7082  2.326324       3.755586 
1 1 1 15  -23 5  o 43.680  1.9139  258.978   22.259    247.675   31.614    270.090   31.345    42.716  2.7783  44.644  2.6330  -1.928123      3.827715 
1 1 1 15  -23 6  o 51.390  1.9186  357.803   26.312    363.829   37.239    351.795   37.183    51.827  2.6918  50.952  2.7345  0.8758621      3.837133 
1 1 1 15  -23 7  o 32.765  2.0280  146.346   17.552    131.429   24.567    161.899   25.086    31.021  2.9939  34.509  2.7364  -3.487907      4.056061 
1 1 1 15  -23 8  o 69.672  2.0502  656.700   38.259    651.630   54.061    661.787   54.151    69.400  2.9083  69.943  2.8905  -0.5430984     4.100380 
1 1 1 15  -23 9  o 129.615 2.8666  2295.21   99.499    2358.16   141.240   2233.19   140.192   131.406 4.0129  127.825 4.0947  3.580292       5.733165 
1 1 1 15  -23 10 o 67.566  2.0920  618.072   37.860    615.154   53.361    621.030   53.725    67.406  2.9555  67.726  2.9616  -0.3196793     4.184059 
1 1 1 15  -23 11 o 67.428  2.0458  615.403   36.925    586.461   51.862    645.158   52.585    65.808  2.9423  69.048  2.8433  -3.239944      4.091619 
1 1 1 15  -23 12 o 35.420  1.9887  170.692   18.704    164.813   26.030    176.968   26.894    34.785  2.8180  36.056  2.8069  -1.270210      3.977396 
1 1 1 15  -23 13 o 39.399  1.9546  211.509   20.453    221.648   28.557    200.830   29.308    40.398  2.6539  38.400  2.8702  1.998680       3.909173 
1 1 1 15  -23 14 o 57.354  1.9266  445.414   29.595    449.337   41.786    441.466   41.923    57.612  2.7079  57.097  2.7412  0.5143929      3.853158 
1 1 1 15  -23 15 o 40.846  1.9122  227.050   20.789    236.181   29.407    217.928   29.392    41.684  2.6476  40.008  2.7597  1.675522       3.824308 
1 1 1 15  -23 16 o 89.175  2.2703  1083.47   54.226    1072.32   76.639    1094.65   76.735    88.708  3.2255  89.641  3.1959  -0.9329147     4.540682 
1 1 1 15  -23 17 o 35.797  1.9613  174.842   18.644    184.035   26.764    166.175   25.988    36.723  2.7407  34.870  2.8062  1.853348       3.922514 
1 1 1 15  -23 18 o 47.991  1.9171  313.858   24.537    311.974   34.990    315.681   34.419    47.840  2.7421  48.143  2.6798  -0.3030281     3.834110 
1 1 1 15  -23 19 o 87.560  2.2621  1048.90   53.052    1058.53   75.354    1039.44   74.704    87.959  3.1984  87.161  3.1999  0.7978058      4.524278 
1 1 1 15  -23 20 o 30.463  2.1116  128.239   16.960    120.848   24.316    135.241   23.667    29.560  3.1182  31.366  2.8481  -1.806900      4.223125 
1 1 1 15  -23 21 o 28.918  2.1761  116.114   16.540    109.422   23.800    122.366   23.004    28.055  3.2260  29.780  2.9215  -1.725851      4.352255 
1 1 1 15  -23 22 o 38.354  1.9956  201.820   20.334    214.726   29.469    190.089   28.094    39.536  2.8010  37.173  2.8432  2.362858       3.991145 
1 1 1 15  -23 23 o 21.763  2.5739  67.236    14.438    74.990    20.951    60.223    19.925    23.024  3.5082  20.502  3.7672  2.521629       5.147729 
1 1 1 15  -23 24 o 27.711  2.2456  106.969   16.336    115.241   23.868    99.679    22.407    28.735  3.1528  26.686  3.1985  2.048704       4.491172 
1 1 1 15  -23 25 o 31.635  2.2689  140.114   18.407    181.886   26.907    103.370   25.236    36.275  2.7907  26.996  3.5782  9.279541       4.537829 
1 1 1 15  -23 26 o 34.120  2.1735  162.493   19.637    165.128   28.391    160.076   27.189    34.367  3.1183  33.873  3.0286  0.4933357      4.346977 
1 1 1 15  -23 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -23 28 o 40.090  2.9768  225.226   31.737    0.0000    0.0000    225.226   31.737    ?       ?       40.090  2.9768  ?              ?        
1 1 1 15  -23 29 o 15.321  3.1237  35.363    14.866    15.017    21.697    53.366    20.409    11.834  4.6597  18.808  4.1615  -6.973685      6.247480 
1 1 1 15  -23 30 o 36.387  2.3474  190.728   22.559    181.887   32.533    198.916   31.309    35.454  3.4704  37.320  3.1618  -1.865921      4.694736 
1 1 1 15  -23 31 o 10.748  2.9114  5.8523    13.956    29.051    19.370    -19.1898  20.125    13.777  4.5329  7.7180  3.6549  6.059147       5.822844 
1 1 1 15  -23 32 o 32.268  2.6235  155.926   22.251    156.902   31.983    155.011   30.976    32.317  3.7655  32.219  3.6540  0.9754181E-01  5.246958 
1 1 1 15  -23 33 o 6.7609  2.3358  -33.1390  13.932    -45.6050  19.281    -19.5183  20.154    5.9414  2.9660  7.5805  3.6093  -1.639177      4.671656 
1 1 1 15  -23 34 o 36.941  2.6290  210.268   25.545    232.700   36.661    189.100   35.613    39.087  3.5402  34.796  3.8876  4.290730       5.257962 
1 1 1 15  -23 35 o 9.1277  2.9752  -6.7217   16.936    -11.4935  24.019    -2.0033   23.884    8.7598  4.0994  9.4957  4.3131  -0.7359123     5.950459 
1 1 1 15  -23 36 o 11.223  3.3326  10.293    18.524    -13.3553  26.207    33.905    26.186    8.8829  4.1957  13.563  5.1790  -4.680109      6.665290 
1 1 1 15  -23 37 o 34.947  3.0649  209.296   28.054    218.809   40.372    200.413   39.012    35.775  4.2993  34.119  4.3693  1.656239       6.129830 
1 1 1 15  -23 38 o 16.999  7.3566  103.570   61.598    103.570   61.598    0.0000    0.0000    16.999  7.3566  ?       ?       ?              ?        
1 1 1 15  -23 39 o 7.9832  2.6955  -23.3556  17.077    3.8280    23.499    -53.7749  24.859    9.4625  4.2904  6.5038  3.2642  2.958726       5.390913 
1 1 1 15  -23 40 o 10.137  3.2296  10.017    18.891    -1.6352   27.467    20.476    26.022    9.2752  4.3544  10.999  4.7707  -1.723484      6.459132 
1 1 1 15  -23 41 o 7.9216  2.6985  -13.0931  12.747    15.655    27.492    -20.9663  14.387    10.222  4.6368  5.6217  2.7616  4.599908       5.396901 
1 1 1 15  -23 42 o 7.1676  2.3654  -3.0079   11.324    -47.9627  28.065    5.7346    12.376    6.7555  3.4004  7.5798  3.2889  -0.8243384     4.730721 
1 1 1 15  -22 0  f 60.810  1.9723  499.424   32.112    518.351   45.663    480.905   45.168    61.957  2.7516  59.664  2.8264  2.293369       3.944606 
1 1 1 15  -22 1  o 53.603  1.9212  388.784   27.479    363.729   38.931    413.659   38.792    51.827  2.8150  55.380  2.6151  -3.553162      3.842321 
1 1 1 15  -22 2  o 54.199  1.9213  397.098   27.815    381.125   39.504    412.803   39.172    53.070  2.7889  55.327  2.6433  -2.257370      3.842524 
1 1 1 15  -22 3  o 79.031  2.1418  843.966   45.332    835.784   64.483    851.960   63.741    78.645  3.0611  79.417  2.9965  -0.7722473     4.283667 
1 1 1 15  -22 4  o 19.354  2.2981  52.027    11.484    54.433    16.242    49.621    16.239    19.829  3.1646  18.880  3.3331  0.9487457      4.596169 
1 1 1 15  -22 5  o 13.559  2.6301  25.732    10.188    16.549    14.716    34.184    14.118    11.528  3.9531  15.590  3.4702  -4.062201      5.260119 
1 1 1 15  -22 6  o 36.881  1.8904  184.315   18.544    185.555   26.030    183.037   26.424    37.013  2.6430  36.750  2.7034  0.2629547      3.780715 
1 1 1 15  -22 7  o 78.256  2.1396  827.030   44.843    816.794   63.496    837.215   63.340    77.768  3.0483  78.744  3.0031  -0.9758759     4.279138 
1 1 1 15  -22 8  o 105.849 2.4778  1517.41   70.247    1512.11   99.557    1522.66   99.133    105.661 3.5178  106.038 3.4903  -0.3773193     4.955541 
1 1 1 15  -22 9  o 30.347  2.2504  128.023   17.443    160.994   24.662    95.021    24.674    34.452  2.6940  26.242  3.6056  8.210157       4.500883 
1 1 1 15  -22 10 o 40.355  1.9745  220.667   21.197    210.468   29.686    231.276   30.277    39.392  2.8325  41.317  2.7516  -1.924839      3.948934 
1 1 1 15  -22 11 o 39.999  1.9350  216.635   20.596    209.931   28.588    223.870   29.698    39.355  2.7289  40.644  2.7441  -1.288654      3.869986 
1 1 1 15  -22 12 o 86.303  2.2169  1007.61   51.245    1006.01   72.210    1009.23   72.735    86.236  3.1262  86.369  3.1441  -0.1326294     4.433784 
1 1 1 15  -22 13 o 37.866  1.9237  194.539   19.380    194.360   27.228    194.722   27.590    37.851  2.7034  37.880  2.7376  -0.2937698E-01 3.847474 
1 1 1 15  -22 14 o 45.126  1.8906  275.933   22.747    280.277   32.175    271.593   32.162    45.487  2.6524  44.766  2.6948  0.7207146      3.781191 
1 1 1 15  -22 15 f 61.491  1.9421  511.144   31.984    501.772   45.205    520.537   45.258    60.921  2.7703  62.060  2.7227  -1.138638      3.884282 
1 1 1 15  -22 16 o 39.569  1.8975  212.595   19.976    224.242   28.513    201.369   27.994    40.648  2.6330  38.490  2.7331  2.158154       3.795084 
1 1 1 15  -22 17 o 55.510  1.9121  417.102   28.426    415.581   40.495    418.581   39.913    55.405  2.7288  55.616  2.6793  -0.2103348     3.824265 
1 1 1 15  -22 18 o 61.646  1.9402  514.903   32.032    526.540   45.758    503.721   44.855    62.330  2.7408  60.963  2.7470  1.367237       3.880458 
1 1 1 15  -22 19 o 78.712  2.1462  843.124   45.244    844.438   64.453    841.848   63.525    78.765  3.0551  78.660  3.0151  0.1043854      4.292360 
1 1 1 15  -22 20 o 28.130  2.1321  109.444   15.731    102.030   22.797    116.183   21.735    27.160  3.1948  29.100  2.8241  -1.940451      4.264099 
1 1 1 15  -22 21 o 85.116  2.2387  991.357   51.014    967.314   72.628    1014.77   71.672    84.063  3.2256  86.169  3.1054  -2.105682      4.477462 
1 1 1 15  -22 22 o 21.243  2.5046  63.607    13.710    71.370    19.818    56.484    18.986    22.556  3.3849  19.931  3.6925  2.625124       5.009202 
1 1 1 15  -22 23 o 72.865  2.1099  727.741   41.150    704.448   58.564    750.455   57.832    71.676  3.0505  74.054  2.9156  -2.378189      4.219757 
1 1 1 15  -22 24 o 22.887  2.6386  78.160    14.896    49.532    21.681    103.760   20.502    18.382  4.4508  27.392  2.8354  -9.009590      5.277249 
1 1 1 15  -22 25 o 11.673  2.9998  16.485    12.086    15.937    18.137    16.923    16.209    11.721  4.3455  11.625  4.1366  0.9664631E-01  5.999568 
1 1 1 15  -22 26 o 23.538  2.5446  79.177    15.463    75.119    22.541    82.784    21.253    22.872  3.8136  24.203  3.3698  -1.331127      5.089131 
1 1 1 15  -22 27 o 18.902  2.9647  52.692    14.595    52.556    21.329    52.812    20.015    18.834  4.3199  18.970  4.0616  -0.1358490     5.929398 
1 1 1 15  -22 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -22 29 o 9.5535  4.0801  2.1499    18.478    0.0000    0.0000    2.1499    18.478    ?       ?       9.5535  4.0801  ?              ?        
1 1 1 15  -22 30 o 41.237  2.2668  241.507   24.819    234.880   35.431    247.892   34.778    40.621  3.2846  41.852  3.1249  -1.231827      4.533606 
1 1 1 15  -22 31 o 27.185  2.8143  109.969   19.748    125.864   28.469    95.227    27.417    29.276  3.7140  25.094  4.2294  4.181721       5.628701 
1 1 1 15  -22 32 o 10.908  2.9801  5.3885    14.453    30.348    20.696    -18.3727  20.193    14.029  4.6885  7.7880  3.6799  6.240767       5.960195 
1 1 1 15  -22 33 o 21.002  3.4036  71.771    18.700    77.462    27.604    66.943    25.422    21.754  4.8599  20.249  4.7664  1.504938       6.807162 
1 1 1 15  -22 34 o 21.158  3.4897  75.584    19.389    76.554    28.277    74.723    26.636    21.178  5.0550  21.139  4.8123  0.3931618E-01  6.979340 
1 1 1 15  -22 35 o 15.558  3.3180  38.424    18.367    2.7954    26.035    73.721    25.914    10.361  4.6211  20.755  4.7624  -10.39420      6.635899 
1 1 1 15  -22 36 o 14.968  3.7040  41.481    18.903    28.914    26.624    54.254    26.842    13.071  5.1570  16.866  5.3181  -3.795004      7.407911 
1 1 1 15  -22 37 o 15.232  3.8716  46.549    20.186    53.703    29.431    40.194    27.738    16.143  5.5872  14.321  5.3611  1.821805       7.743251 
1 1 1 15  -22 38 o 12.825  3.6939  29.757    20.095    39.002    29.302    21.548    27.611    13.845  5.4265  11.806  5.0134  2.038840       7.387885 
1 1 1 15  -22 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -22 40 o 9.0278  2.8862  4.3615    13.798    -4.3076   28.146    7.1040    15.831    9.3111  4.3828  8.7444  3.7566  0.5667801      5.772470 
1 1 1 15  -22 41 o 8.0557  2.6794  -3.3673   13.003    -3.9636   26.281    -3.1740   14.963    8.8769  4.1956  7.2345  3.3337  1.642478       5.358731 
1 1 1 15  -22 42 f 13.820  3.1768  48.691    17.209    10.914    33.050    62.742    20.157    9.9009  4.6872  17.738  4.2895  -7.837499      6.353688 
1 1 1 15  -21 0  o 26.343  2.0463  95.117    14.061    109.096   19.943    81.298    19.829    28.337  2.6585  24.349  3.1115  3.988117       4.092584 
1 1 1 15  -21 1  o 85.648  2.2245  990.021   51.027    987.638   72.608    992.346   71.725    85.542  3.1690  85.755  3.1226  -0.2132950     4.448970 
1 1 1 15  -21 2  o 21.598  2.2432  64.592    12.486    73.353    17.623    55.759    17.694    23.152  2.9058  20.045  3.4183  3.107870       4.486469 
1 1 1 15  -21 3  o 88.757  2.2425  1062.67   53.309    1067.48   75.831    1057.95   74.956    88.954  3.1827  88.560  3.1600  0.3933487      4.484954 
1 1 1 15  -21 4  o 63.537  1.9595  543.529   33.342    556.880   47.397    530.451   46.912    64.312  2.7515  62.763  2.7905  1.549442       3.918912 
1 1 1 15  -21 5  o 9.3209  2.5122  6.8985    9.0942    -0.1884   13.006    13.679    12.721    8.0404  3.4282  10.601  3.6730  -2.560910      5.024323 
1 1 1 15  -21 6  o 102.875 2.4370  1429.01   67.151    1434.09   95.353    1424.01   94.584    103.055 3.4544  102.696 3.4385  0.3592148      4.874071 
1 1 1 15  -21 7  o 121.074 2.7158  1983.60   88.059    1952.96   124.839   2013.94   124.232   120.131 3.8798  122.018 3.8012  -1.886604      5.431549 
1 1 1 15  -21 8  o 15.984  3.0543  35.428    14.045    20.330    19.915    50.366    19.810    13.035  4.5908  18.934  4.0299  -5.898936      6.108694 
1 1 1 15  -21 9  o 80.283  2.1774  869.049   46.816    849.395   65.995    888.959   66.423    79.364  3.1045  81.201  3.0540  -1.836372      4.354877 
1 1 1 15  -21 10 o 81.713  2.1684  900.515   47.455    906.589   66.778    894.319   67.449    81.996  3.0405  81.430  3.0925  0.5662918      4.336828 
1 1 1 15  -21 11 o 34.576  1.9821  163.406   18.022    183.909   25.129    141.692   25.860    36.877  2.5599  32.275  3.0268  4.602329       3.964172 
1 1 1 15  -21 12 o 8.9398  2.5924  3.6760    9.9006    3.0871    14.559    4.1825    13.503    8.9938  3.7167  8.8858  3.6150  0.1079245      5.184762 
1 1 1 15  -21 13 o 12.952  2.3996  21.099    10.659    -5.5950   15.693    43.958    14.523    8.1230  3.6074  17.781  3.1652  -9.658485      4.799172 
1 1 1 15  -21 14 o 70.393  2.0099  668.534   37.892    658.367   53.587    678.700   53.586    69.854  2.8641  70.932  2.8205  -1.078377      4.019699 
1 1 1 15  -21 15 o 31.265  1.9912  133.238   16.385    151.404   23.390    115.734   22.960    33.408  2.6353  29.121  2.9858  4.286411       3.982419 
1 1 1 15  -21 16 o 59.948  1.9179  485.208   30.786    476.383   43.818    493.811   43.263    59.402  2.7540  60.494  2.6700  -1.091377      3.835806 
1 1 1 15  -21 17 o 33.967  1.9130  157.072   17.225    150.735   24.804    162.975   23.938    33.281  2.8087  34.653  2.5979  -1.372219      3.825976 
1 1 1 15  -21 18 f 85.268  2.2148  986.294   50.566    968.879   71.993    1003.25   71.040    84.508  3.1806  86.027  3.0830  -1.519287      4.429564 
1 1 1 15  -21 19 o 76.740  2.0960  798.723   43.071    794.102   61.546    803.157   60.297    76.510  3.0033  76.970  2.9247  -0.4603577     4.192087 
1 1 1 15  -21 20 o 22.802  2.3058  72.205    13.511    86.770    19.551    58.892    18.692    25.111  2.9639  20.492  3.5331  4.619289       4.611647 
1 1 1 15  -21 21 o 25.388  2.1777  89.717    14.357    80.113    20.870    98.346    19.781    24.004  3.3362  26.772  2.8000  -2.767342      4.355477 
1 1 1 15  -21 22 o 17.438  2.6836  43.433    12.342    59.468    17.883    28.850    17.055    20.593  3.3580  14.283  4.1871  6.309749       5.367257 
1 1 1 15  -21 23 o 31.429  2.0763  136.446   17.198    127.867   24.912    144.257   23.772    30.426  3.1002  32.432  2.7628  -2.006037      4.152635 
1 1 1 15  -21 24 o 16.430  2.8494  38.781    12.624    49.666    18.285    28.867    17.451    18.616  3.7958  14.245  4.2508  4.370361       5.698859 
1 1 1 15  -21 25 o 16.875  2.8999  40.950    13.105    51.808    19.238    31.549    17.900    18.956  3.9185  14.795  4.2759  4.160536       5.799876 
1 1 1 15  -21 26 o 21.654  2.6489  67.299    14.753    63.647    21.504    70.547    20.279    21.006  3.9674  22.302  3.5109  -1.296562      5.297750 
1 1 1 15  -21 27 o 37.512  2.1550  196.027   21.383    183.401   30.826    207.736   29.685    36.266  3.2065  38.757  2.8801  -2.491245      4.310071 
1 1 1 15  -21 28 o 28.672  2.4047  115.842   18.080    123.937   26.351    108.642   24.852    29.636  3.3801  27.708  3.4213  1.927206       4.809360 
1 1 1 15  -21 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -21 30 o 20.883  3.5013  64.226    18.634    80.095    31.648    55.806    23.053    22.614  5.3149  19.153  4.5593  3.460388       7.002502 
1 1 1 15  -21 31 o 36.693  2.4372  194.294   23.496    175.918   33.903    211.277   32.592    34.825  3.6908  38.561  3.1840  -3.735298      4.874417 
1 1 1 15  -21 32 o 19.860  3.2872  63.157    17.716    40.803    25.339    84.534    24.779    16.024  5.1793  23.696  4.0495  -7.672037      6.574463 
1 1 1 15  -21 33 o 18.848  3.4811  58.667    18.054    46.751    26.377    69.169    24.763    16.792  5.2684  20.904  4.5516  -4.112022      6.962265 
1 1 1 15  -21 34 o 8.5112  2.7820  -11.2932  14.891    -5.5501   21.868    -16.2587  20.334    9.1260  4.1382  7.8963  3.7194  1.229716       5.564049 
1 1 1 15  -21 35 o 22.694  3.4204  87.369    20.257    68.450    28.577    106.477   28.719    19.637  5.3070  25.751  4.3165  -6.114141      6.840804 
1 1 1 15  -21 36 o 9.7266  2.9617  -6.3673   16.008    24.130    22.883    -35.5964  22.403    12.435  4.8171  7.0179  3.4471  5.417372       5.923471 
1 1 1 15  -21 37 f 9.5746  3.0432  -3.5281   16.921    14.943    24.603    -20.1101  23.311    11.171  4.7375  7.9781  3.8212  3.193017       6.086457 
1 1 1 15  -21 38 o 10.355  2.9186  14.571    13.051    -8.3759   25.686    22.556    15.152    9.0657  4.2416  11.645  4.0101  -2.579165      5.837122 
1 1 1 15  -21 39 o 11.245  5.4673  -13.5171  52.272    -13.5171  52.272    0.0000    0.0000    11.245  5.4673  ?       ?       ?              ?        
1 1 1 15  -21 40 o 12.369  3.2571  28.886    14.205    22.582    28.132    31.044    16.457    11.649  5.0062  13.088  4.1681  -1.439240      6.514264 
1 1 1 15  -21 41 o 10.617  3.2112  17.937    15.961    7.9577    31.061    21.517    18.605    10.265  4.7558  10.969  4.3163  -0.7036200     6.422447 
1 1 1 15  -21 42 o 11.409  3.0604  27.321    15.169    -2.4898   29.203    38.336    17.752    9.0873  4.3317  13.730  4.3244  -4.642481      6.120745 
1 1 1 15  -20 0  o 58.911  1.9435  467.225   30.648    451.137   43.531    483.037   43.156    57.899  2.8070  59.923  2.6888  -2.024025      3.887040 
1 1 1 15  -20 1  o 116.450 2.6337  1832.13   82.091    1764.06   116.534   1899.18   115.660   114.281 3.8071  118.620 3.6403  -4.339256      5.267397 
1 1 1 15  -20 2  o 25.721  2.0807  90.212    14.068    93.345    19.899    87.081    19.892    26.182  2.8855  25.260  2.9986  0.9219761      4.161421 
1 1 1 15  -20 3  o 46.028  1.8665  285.763   22.914    284.312   32.437    287.208   32.375    45.910  2.6490  46.147  2.6302  -0.2363586     3.733001 
1 1 1 15  -20 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 8  o 117.769 5.5735  1889.34   175.812   1889.34   175.812   0.0000    0.0000    117.769 5.5735  ?       ?       ?              ?        
1 1 1 15  -20 9  o 133.548 6.0074  2437.33   214.889   2437.33   214.889   0.0000    0.0000    133.548 6.0074  ?       ?       ?              ?        
1 1 1 15  -20 10 o 103.066 5.0707  1444.02   139.982   1444.02   139.982   0.0000    0.0000    103.066 5.0707  ?       ?       ?              ?        
1 1 1 15  -20 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 15 o 57.049  2.2915  428.202   33.105    480.717   57.933    402.740   40.340    59.492  3.6533  54.605  2.7672  4.887222       4.583008 
1 1 1 15  -20 16 o 61.490  1.9363  509.623   31.883    509.371   45.596    509.864   44.600    61.471  2.7693  61.509  2.7071  -0.3862000E-01 3.872660 
1 1 1 15  -20 17 o 13.652  2.5050  24.017    11.140    -0.2247   15.915    47.307    15.599    8.8709  3.7875  18.433  3.2795  -9.562502      5.010023 
1 1 1 15  -20 18 o 53.069  1.8757  380.638   26.592    375.000   38.228    385.923   37.013    52.644  2.7204  53.495  2.5832  -0.8508224     3.751468 
1 1 1 15  -20 19 o 51.207  1.8731  354.917   25.591    357.050   36.802    352.919   35.611    51.349  2.6851  51.066  2.6123  0.2836761      3.746177 
1 1 1 15  -20 20 o 8.1316  2.3868  -0.8060   9.2338    -11.7037  13.400    9.0470    12.742    6.6932  3.1088  9.5700  3.6225  -2.876741      4.773643 
1 1 1 15  -20 21 o 11.134  2.7619  14.703    10.298    19.352    14.914    10.466    14.238    12.108  3.9772  10.161  3.8334  1.946693       5.523869 
1 1 1 15  -20 22 o 17.459  2.6734  42.987    12.730    70.502    18.719    19.309    17.364    22.538  3.1898  12.379  4.2912  10.15909       5.346884 
1 1 1 15  -20 23 o 68.402  2.0618  637.600   37.733    611.589   53.810    662.762   52.924    66.996  2.9986  69.808  2.8305  -2.811722      4.123538 
1 1 1 15  -20 24 o 52.866  1.9892  381.620   28.057    388.370   40.309    375.277   39.076    53.313  2.8330  52.419  2.7932  0.8942986      3.978451 
1 1 1 15  -20 25 f 30.070  2.2186  124.742   17.466    145.869   25.551    106.211   23.930    32.527  2.9654  27.614  3.3008  4.913212       4.437208 
1 1 1 15  -20 26 o 57.794  2.0559  457.883   31.758    473.637   45.598    443.041   44.258    58.799  2.8952  56.788  2.9195  2.010612       4.111703 
1 1 1 15  -20 27 o 39.329  2.1367  214.862   22.229    199.795   32.164    228.637   30.755    37.923  3.1963  40.736  2.8364  -2.813030      4.273362 
1 1 1 15  -20 28 o 18.276  3.1248  49.299    15.123    52.211    21.888    46.639    20.919    18.794  4.4219  17.758  4.4164  1.035734       6.249630 
1 1 1 15  -20 29 o 15.133  3.0143  31.910    14.272    54.149    20.332    10.309    20.038    19.199  4.0796  11.067  4.4385  8.131983       6.028575 
1 1 1 15  -20 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -20 31 o 22.672  3.0666  76.970    17.912    78.188    26.228    75.905    24.522    22.779  4.4583  22.566  4.2119  0.2128868      6.133296 
1 1 1 15  -20 32 o 26.626  2.7798  104.778   19.225    107.209   27.552    102.473   26.837    26.928  3.9362  26.324  3.9263  0.6048412      5.559669 
1 1 1 15  -20 33 o 11.331  3.2362  11.246    15.604    1.4080    21.956    21.286    22.180    10.011  4.3620  12.652  4.7818  -2.640946      6.472448 
1 1 1 15  -20 34 o 10.651  3.2241  6.2556    16.380    7.5243    23.522    5.0611    22.824    10.846  4.6171  10.455  4.5014  0.3911495      6.448290 
1 1 1 15  -20 35 o 13.172  3.3694  22.430    17.498    -3.1352   25.265    45.996    24.257    9.9207  4.4778  16.423  5.0360  -6.501806      6.738813 
1 1 1 15  -20 36 o 17.672  3.1880  49.271    13.916    60.993    26.718    44.907    16.302    18.466  5.1875  16.879  3.7073  1.586977       6.376074 
1 1 1 15  -20 37 o 26.203  2.7959  103.956   17.757    130.055   32.446    92.797    21.216    27.795  4.5130  24.610  3.3018  3.184797       5.591866 
1 1 1 15  -20 38 o 16.973  3.4414  55.601    16.493    45.510    30.317    59.843    19.657    14.974  5.6050  18.972  3.9946  -3.997566      6.882751 
1 1 1 15  -20 39 o 9.4748  2.8229  6.8400    13.612    -22.7475  25.401    18.759    16.122    8.0761  3.8983  10.874  4.0839  -2.797379      5.645786 
1 1 1 15  -20 40 o 10.092  3.9726  15.021    15.764    0.0000    0.0000    15.021    15.764    ?       ?       10.092  3.9726  ?              ?        
1 1 1 15  -20 41 o 10.733  3.1996  17.938    14.998    13.983    29.100    19.368    17.502    10.742  4.8311  10.723  4.1964  0.1920128E-01  6.399135 
1 1 1 15  -20 42 o 16.588  3.3981  68.020    18.514    38.667    36.195    78.421    21.547    12.368  5.4861  20.808  4.0114  -8.440614      6.796226 
1 1 1 15  -20 43 o 17.946  3.6842  81.634    18.964    81.862    35.794    81.545    22.360    15.555  6.0249  20.338  4.2419  -4.783478      7.368429 
1 1 1 15  -19 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -19 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -19 2  o 37.291  2.1544  182.998   20.688    168.310   25.834    209.258   34.542    35.285  2.7552  39.296  3.3127  -4.010586      4.308713 
1 1 1 15  -19 3  o 91.070  2.2498  1116.15   54.849    1082.05   77.953    1149.60   77.190    89.683  3.2451  92.456  3.1170  -2.773094      4.499615 
1 1 1 15  -19 4  o 95.887  2.3218  1237.19   59.621    1219.06   84.683    1255.01   83.955    95.186  3.3215  96.589  3.2451  -1.403603      4.643632 
1 1 1 15  -19 5  o 96.185  2.3157  1244.92   59.643    1217.61   84.621    1271.89   84.078    95.130  3.3210  97.240  3.2281  -2.109909      4.631381 
1 1 1 15  -19 6  o 66.119  1.9936  587.412   35.303    576.000   49.754    598.984   50.101    65.471  2.8372  66.767  2.8015  -1.296249      3.987255 
1 1 1 15  -19 7  f 52.285  1.9164  368.047   26.763    378.376   37.495    357.318   38.214    53.075  2.6375  51.494  2.7809  1.580936       3.832750 
1 1 1 15  -19 8  o 82.681  2.1464  919.160   47.530    905.130   67.041    933.339   67.397    82.045  3.0507  83.317  3.0201  -1.272018      4.292756 
1 1 1 15  -19 9  o 110.025 2.4962  1630.23   73.562    1619.58   103.864   1640.95   104.201   109.663 3.5360  110.386 3.5243  -0.7231445     4.992375 
1 1 1 15  -19 10 o 63.595  1.9549  543.383   33.292    535.950   46.481    551.212   47.707    63.150  2.7480  64.040  2.7813  -0.8900986     3.909864 
1 1 1 15  -19 11 o 35.084  1.9425  166.527   18.100    169.885   25.404    163.064   25.796    35.452  2.6955  34.717  2.7979  0.7356567      3.885091 
1 1 1 15  -19 12 o 100.410 2.3411  1357.96   62.958    1373.19   88.870    1342.62   89.202    100.979 3.2857  99.840  3.3357  1.139046       4.682162 
1 1 1 15  -19 13 o 86.058  2.1736  997.411   50.071    957.373   70.828    1037.41   70.795    84.321  3.1360  87.794  3.0106  -3.472580      4.347196 
1 1 1 15  -19 14 o 125.514 2.7595  2128.89   92.769    2117.61   131.339   2140.12   131.051   125.178 3.9172  125.850 3.8877  -0.6719666     5.518983 
1 1 1 15  -19 15 o 63.293  1.9401  539.414   32.870    523.471   46.801    554.933   46.176    62.363  2.8019  64.223  2.6843  -1.859978      3.880210 
1 1 1 15  -19 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -19 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -19 18 o 21.693  2.4840  65.470    13.875    62.795    20.396    67.773    18.931    21.227  3.7230  22.159  3.2894  -0.9316063     4.967970 
1 1 1 15  -19 19 o 60.322  1.9243  491.189   31.061    479.740   44.577    501.992   43.305    59.627  2.7911  61.017  2.6497  -1.389748      3.848552 
1 1 1 15  -19 20 o 36.242  1.9167  178.004   18.452    184.597   26.848    172.102   25.403    36.876  2.7377  35.609  2.6832  1.267159       3.833316 
1 1 1 15  -19 21 f 66.750  2.0266  602.957   36.217    599.089   51.901    606.628   50.561    66.530  2.9125  66.970  2.8187  -0.4396439     4.053140 
1 1 1 15  -19 22 o 69.791  2.0732  660.867   38.725    644.869   55.417    676.134   54.135    68.944  3.0009  70.637  2.8613  -1.692772      4.146373 
1 1 1 15  -19 23 o 27.241  2.2181  101.686   15.688    123.423   23.112    83.114    21.362    30.011  2.9118  24.471  3.3470  5.540516       4.436268 
1 1 1 15  -19 24 o 13.239  2.8827  23.203    11.600    33.575    17.049    14.262    15.829    15.321  4.0812  11.156  4.0723  4.164882       5.765454 
1 1 1 15  -19 25 f 20.815  2.6445  62.237    13.942    87.330    20.211    39.451    19.259    25.104  3.0697  16.527  4.3069  8.576021       5.288926 
1 1 1 15  -19 26 f 41.483  2.1064  236.781   23.228    233.001   33.372    240.334   32.351    41.134  3.0507  41.833  2.9053  -0.6984863     4.212773 
1 1 1 15  -19 27 o 49.836  2.1317  342.940   28.246    324.402   40.624    360.291   39.300    48.463  3.1466  51.209  2.8769  -2.745770      4.263484 
1 1 1 15  -19 28 o 15.622  3.1042  35.146    14.317    19.529    20.334    50.500    20.162    12.643  4.6155  18.600  4.1522  -5.956103      6.208396 
1 1 1 15  -19 29 o 6.9378  2.2955  -18.5135  11.055    -31.8796  15.493    -4.6486   15.779    5.7574  2.8355  8.1183  3.6107  -2.360960      4.591046 
1 1 1 15  -19 30 o 22.360  3.0058  74.194    17.266    64.437    25.018    83.068    23.859    20.742  4.6214  23.979  3.8447  -3.237238      6.011570 
1 1 1 15  -19 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -19 32 o 23.991  2.9985  85.400    18.493    99.165    27.310    73.742    25.132    25.894  4.0720  22.087  4.4027  3.807417       5.997045 
1 1 1 15  -19 33 o 10.895  2.6592  -3.7577   13.746    38.368    19.194    -48.1128  19.696    15.761  4.3861  6.0293  3.0079  9.731833       5.318375 
1 1 1 15  -19 34 o 38.573  2.2825  217.295   22.297    205.936   36.664    223.962   28.088    37.302  3.7192  39.844  2.6470  -2.542515      4.564941 
1 1 1 15  -19 35 o 10.765  2.9667  13.998    12.596    -1.0935   23.541    20.052    14.910    9.8807  4.4014  11.650  3.9791  -1.768909      5.933383 
1 1 1 15  -19 36 o 9.7328  2.9295  1.8143    12.617    19.182    22.856    -5.7969   15.131    11.970  4.7606  7.4951  3.4154  4.475273       5.859004 
1 1 1 15  -19 37 o 34.720  2.5172  183.497   21.948    193.062   37.208    178.393   27.180    34.713  4.0797  34.727  2.9500  -0.1406860E-01 5.034495 
1 1 1 15  -19 38 o 13.353  3.3049  23.907    13.852    53.576    26.275    12.486    16.302    16.727  5.2598  9.9786  4.0029  6.748005       6.609766 
1 1 1 15  -19 39 o 14.834  3.4789  37.306    15.013    56.653    27.818    29.355    17.833    16.722  5.4288  12.945  4.3520  3.777149       6.957883 
1 1 1 15  -19 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -19 41 o 12.010  3.3220  26.581    15.070    22.934    28.756    27.961    17.695    11.678  5.0403  12.342  4.3288  -0.6634407     6.644017 
1 1 1 15  -19 42 o 19.659  3.7668  77.152    18.957    108.034   35.147    64.483    22.512    21.217  5.9461  18.102  4.6258  3.114637       7.533554 
1 1 1 15  -19 43 o 10.982  3.0859  25.410    15.335    -0.8086   30.413    34.348    17.758    9.1721  4.3855  12.792  4.3426  -3.619666      6.171787 
1 1 1 15  -18 0  o 66.389  1.9966  592.245   35.488    573.857   50.305    610.462   50.070    65.360  2.8735  67.419  2.7727  -2.059410      3.993139 
1 1 1 15  -18 1  o 97.783  2.3455  1286.71   61.367    1225.71   87.089    1346.86   86.487    95.469  3.4057  100.098 3.2258  -4.628250      4.690928 
1 1 1 15  -18 2  o 110.521 2.4796  1643.08   73.396    1628.35   104.268   1657.54   103.333   110.025 3.5381  111.016 3.4751  -0.9906082     4.959253 
1 1 1 15  -18 3  o 155.440 3.1846  3258.36   132.587   3292.63   188.180   3224.57   186.839   156.253 4.4963  154.626 4.5112  1.626938       6.369289 
1 1 1 15  -18 4  o 99.034  2.3616  1318.63   62.639    1309.26   88.974    1327.83   88.202    98.682  3.3662  99.386  3.3133  -0.7036133     4.723269 
1 1 1 15  -18 5  o 19.220  2.4280  51.316    12.013    46.535    17.106    55.969    16.876    18.282  3.6212  20.157  3.2352  -1.874119      4.855907 
1 1 1 15  -18 6  o 16.789  2.7688  39.498    12.232    36.852    17.344    42.117    17.253    16.225  4.0132  17.354  3.8156  -1.129852      5.537560 
1 1 1 15  -18 7  o 130.254 2.8217  2284.98   98.432    2333.07   139.459   2237.25   138.949   131.626 3.9556  128.882 4.0251  2.743866       5.643448 
1 1 1 15  -18 8  o 123.120 2.7065  2041.21   89.219    1973.96   126.036   2108.75   126.313   121.077 3.8864  125.163 3.7678  -4.085808      5.412932 
1 1 1 15  -18 9  o 93.208  2.2678  1168.02   56.574    1108.76   79.562    1228.63   80.462    90.810  3.2710  95.607  3.1420  -4.797394      4.535647 
1 1 1 15  -18 10 o 39.539  1.8869  210.680   19.842    196.842   27.628    225.421   28.515    38.188  2.7188  40.890  2.6173  -2.701916      3.773855 
1 1 1 15  -18 11 o 99.069  2.3207  1320.11   61.579    1321.19   86.849    1319.01   87.324    99.112  3.2715  99.027  3.2922  0.8463287E-01  4.641319 
1 1 1 15  -18 12 o 80.334  2.0758  867.513   44.660    881.362   63.110    853.620   63.209    80.979  2.9096  79.689  2.9614  1.289726       4.151558 
1 1 1 15  -18 13 o 75.337  2.0258  762.953   40.874    758.197   58.048    767.631   57.565    75.102  2.8857  75.572  2.8439  -0.4698334     4.051523 
1 1 1 15  -18 14 o 66.014  1.9271  585.629   34.071    591.834   48.593    579.628   47.785    66.357  2.7340  65.670  2.7166  0.6863174      3.854205 
1 1 1 15  -18 15 o 18.621  2.5505  48.316    12.256    48.735    17.634    47.924    17.047    18.694  3.6528  18.548  3.5606  0.1453495      5.101076 
1 1 1 15  -18 16 o 102.065 2.3867  1404.04   65.228    1453.49   93.000    1356.16   91.511    103.840 3.3437  100.290 3.4067  3.549454       4.773438 
1 1 1 15  -18 17 o 70.411  2.0003  667.149   37.716    678.438   54.039    656.427   52.664    70.989  2.8420  69.832  2.8156  1.157722       4.000575 
1 1 1 15  -18 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -18 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -18 20 o 42.588  1.9207  245.219   21.779    253.669   31.552    237.528   30.101    43.287  2.7354  41.888  2.6972  1.399143       3.841496 
1 1 1 15  -18 21 o 27.785  2.1467  106.285   15.591    97.263    22.736    114.292   21.420    26.608  3.2583  28.962  2.7960  -2.354189      4.293491 
1 1 1 15  -18 22 o 30.548  2.0546  127.110   16.591    133.978   24.114    120.936   22.864    31.337  2.9059  29.759  2.9055  1.577765       4.109282 
1 1 1 15  -18 23 o 51.667  1.9941  363.210   27.443    346.714   39.319    378.878   38.321    50.492  2.9198  52.842  2.7167  -2.350307      3.988165 
1 1 1 15  -18 24 o 18.111  2.7679  46.511    13.050    54.033    18.965    39.746    17.986    19.547  3.7588  16.675  4.0640  2.871983       5.535719 
1 1 1 15  -18 25 o 36.701  2.1161  184.802   20.590    181.961   29.781    187.403   28.499    36.403  3.0833  36.999  2.8990  -0.5961151     4.232121 
1 1 1 15  -18 26 o 23.322  2.5410  76.560    15.196    91.965    21.975    62.444    21.035    25.710  3.2647  20.935  3.8947  4.774780       5.082030 
1 1 1 15  -18 27 f 10.508  2.8927  10.203    11.700    10.477    17.030    9.9586    16.102    10.644  4.1467  10.371  4.0343  0.2730236      5.785374 
1 1 1 15  -18 28 o 16.418  3.1498  39.326    14.222    43.025    20.443    35.857    19.800    17.136  4.4237  15.700  4.4851  1.435684       6.299640 
1 1 1 15  -18 29 o 51.114  2.1871  361.731   29.797    358.802   42.449    364.575   41.836    50.889  3.1294  51.338  3.0563  -0.4482002     4.374242 
1 1 1 15  -18 30 o 34.256  2.4084  165.229   21.770    160.790   31.344    169.367   30.260    33.752  3.5187  34.759  3.2894  -1.006229      4.816785 
1 1 1 15  -18 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -18 32 o 26.389  3.1704  106.471   21.069    119.431   27.949    89.414    32.064    28.747  3.7169  24.032  5.1371  4.714916       6.340728 
1 1 1 15  -18 33 o 8.1348  2.4572  0.9971    9.6104    -17.3430  18.846    7.4422    11.172    7.6113  3.5838  8.6583  3.3626  -1.046975      4.914318 
1 1 1 15  -18 34 o 15.478  2.9948  40.768    13.654    16.809    24.651    51.373    16.400    12.298  4.9262  18.659  3.4071  -6.360981      5.989642 
1 1 1 15  -18 35 o 17.128  2.9856  53.587    14.842    17.407    26.765    69.653    17.835    12.435  5.0776  21.821  3.1422  -9.385835      5.971213 
1 1 1 15  -18 36 o 7.8934  2.5285  -3.5556   10.761    -10.0835  20.118    -0.9392   12.736    8.3111  3.8423  7.4757  3.2880  0.8354020      5.057062 
1 1 1 15  -18 37 o 14.591  3.2439  31.976    13.407    50.822    24.264    23.694    16.085    16.957  5.0009  12.225  4.1332  4.731805       6.487812 
1 1 1 15  -18 38 o 14.403  3.4017  35.013    14.519    43.463    26.397    31.347    17.385    15.202  5.2896  13.603  4.2785  1.598220       6.803406 
1 1 1 15  -18 39 o 15.070  3.5187  38.567    15.093    55.537    29.103    32.325    17.652    16.515  5.5597  13.624  4.3145  2.890930       7.037362 
1 1 1 15  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -18 41 o 7.3470  2.4711  -10.1466  12.166    -25.8678  24.723    -5.1232   13.975    7.6970  3.7463  6.9969  3.2233  0.7001128      4.942105 
1 1 1 15  -18 42 o 9.8416  3.0915  9.9735    14.801    12.855    29.158    8.9735    17.178    10.563  4.7852  9.1198  3.9154  1.443488       6.182957 
1 1 1 15  -18 43 o 20.848  3.9089  99.356    21.127    116.002   38.861    92.372    25.172    19.978  6.4095  21.718  4.4761  -1.740232      7.817753 
1 1 1 15  -17 0  o 121.176 2.6698  1975.15   86.650    1969.06   123.029   1981.13   122.061   120.988 3.7964  121.364 3.7549  -0.3760147     5.339662 
1 1 1 15  -17 1  o 128.218 2.7771  2215.53   95.170    2056.20   134.934   2373.24   134.251   123.601 4.0758  132.835 3.7732  -9.234581      5.554229 
1 1 1 15  -17 2  o 162.465 3.3061  3558.47   143.847   3503.25   204.022   3613.05   202.844   161.201 4.7252  163.730 4.6253  -2.529480      6.612209 
1 1 1 15  -17 3  o 180.480 3.5540  4394.91   171.803   4411.48   243.691   4378.53   242.249   180.816 5.0317  180.143 5.0206  0.6736450      7.108037 
1 1 1 15  -17 4  o 140.280 2.9478  2649.06   110.757   2647.37   157.123   2650.72   156.151   140.233 4.1831  140.327 4.1545  -0.9367371E-01 5.895581 
1 1 1 15  -17 5  o 25.129  2.0682  86.003    13.504    71.507    18.729    101.700   19.490    22.861  3.1417  27.396  2.6907  -4.534990      4.136452 
1 1 1 15  -17 6  o 41.368  1.8915  230.492   20.835    221.030   29.101    240.443   29.845    40.491  2.6986  42.244  2.6511  -1.752964      3.782958 
1 1 1 15  -17 7  o 184.529 3.7093  4599.97   183.272   4465.41   259.302   4734.30   259.070   181.808 5.3248  187.249 5.1654  -5.441666      7.418579 
1 1 1 15  -17 8  o 77.470  2.0901  805.805   43.335    762.080   60.756    851.085   61.828    75.327  3.0113  79.613  2.8994  -4.285637      4.180223 
1 1 1 15  -17 9  o 12.069  2.7649  17.957    10.631    26.769    15.248    9.6237    14.829    13.920  3.9220  10.218  3.8983  3.702038       5.529794 
1 1 1 15  -17 10 o 142.426 2.9611  2732.58   112.954   2692.42   159.454   2773.03   160.029   141.371 4.2110  143.481 4.1640  -2.110092      5.922139 
1 1 1 15  -17 11 f 170.953 3.4177  3945.97   156.476   4012.10   221.260   3879.79   221.321   172.398 4.7916  169.508 4.8746  2.889862       6.835303 
1 1 1 15  -17 12 o 119.671 2.6184  1927.63   83.924    1905.64   118.860   1949.50   118.514   118.986 3.7295  120.356 3.6763  -1.370323      5.236859 
1 1 1 15  -17 13 o 46.915  1.8310  297.268   22.849    276.157   32.697    317.417   31.943    45.265  2.7093  48.565  2.4637  -3.299778      3.661974 
1 1 1 15  -17 14 o 139.816 2.9530  2636.64   110.577   2688.95   157.003   2585.14   155.764   141.198 4.1513  138.434 4.2008  2.763916       5.905990 
1 1 1 15  -17 15 o 69.652  1.9660  651.376   36.660    679.355   52.694    625.131   51.035    71.102  2.7669  68.203  2.7937  2.898827       3.931969 
1 1 1 15  -17 16 o 97.642  2.2963  1283.10   60.049    1310.08   85.650    1257.01   84.212    98.652  3.2414  96.631  3.2536  2.020905       4.592687 
1 1 1 15  -17 17 o 29.440  2.1296  120.943   16.030    93.912    23.472    144.569   21.944    26.178  3.4302  32.702  2.5248  -6.524406      4.259198 
1 1 1 15  -17 18 f 57.168  1.9077  440.272   29.163    425.688   42.022    453.822   40.504    56.245  2.7894  58.091  2.6032  -1.846672      3.815376 
1 1 1 15  -17 19 o 52.007  1.9461  365.455   26.986    349.318   38.919    380.397   37.451    50.847  2.8694  53.168  2.6298  -2.320858      3.892210 
1 1 1 15  -17 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -17 21 o 77.711  2.1297  816.237   44.285    786.735   63.210    844.675   62.061    76.313  3.0924  79.108  2.9289  -2.795364      4.259303 
1 1 1 15  -17 22 o 69.672  2.1150  658.044   39.352    608.413   56.172    705.878   55.145    67.055  3.1275  72.290  2.8480  -5.234863      4.229978 
1 1 1 15  -17 23 o 18.853  2.6986  51.695    13.152    33.719    18.986    68.279    18.236    15.476  4.3819  22.230  3.1508  -6.754630      5.397105 
1 1 1 15  -17 24 o 35.814  2.1238  176.164   20.060    162.245   29.148    188.688   27.649    34.407  3.1995  37.221  2.7936  -2.814693      4.247539 
1 1 1 15  -17 25 o 12.145  2.5991  17.097    11.272    -6.1375   16.762    36.277    15.230    8.3207  3.7097  15.970  3.6413  -7.648944      5.198158 
1 1 1 15  -17 26 o 28.377  2.3242  111.426   17.250    125.484   24.893    98.441    23.925    30.162  3.1267  26.591  3.4397  3.570280       4.648406 
1 1 1 15  -17 27 o 4.6876  1.6541  -32.8782  8.4846    -22.3501  11.737    -44.4019  12.279    5.1728  2.5313  4.2025  2.1299  0.9703426      3.308177 
1 1 1 15  -17 28 o 61.739  2.1642  523.076   35.786    528.235   51.009    518.076   50.219    62.035  3.0699  61.444  3.0514  0.5904579      4.328414 
1 1 1 15  -17 29 o 50.048  2.1913  345.990   29.217    360.531   41.807    332.108   40.849    51.094  3.0691  49.003  3.1286  2.091213       4.382610 
1 1 1 15  -17 30 o 10.880  3.0363  9.4157    13.337    17.482    19.260    1.9850    18.486    12.118  4.4809  9.6418  4.0985  2.476452       6.072540 
1 1 1 15  -17 31 o 8.3083  2.5343  0.3758    9.9694    -10.6751  18.646    4.7993    11.797    8.2377  3.7682  8.3790  3.3897  -0.1413374     5.068499 
1 1 1 15  -17 32 o 25.212  3.7512  91.953    24.561    0.0000    0.0000    91.953    24.561    ?       ?       25.212  3.7512  ?              ?        
1 1 1 15  -17 33 o 18.598  2.9348  54.830    13.687    42.619    23.781    60.879    16.737    16.587  4.9650  20.609  3.1304  -4.022264      5.869503 
1 1 1 15  -17 34 o 16.988  2.9804  46.635    13.248    35.047    23.177    52.258    16.146    15.065  4.9585  18.910  3.3083  -3.844443      5.960860 
1 1 1 15  -17 35 o 14.942  3.2306  32.787    13.363    44.063    23.924    27.674    16.110    16.452  4.9925  13.433  4.1014  3.018888       6.461156 
1 1 1 15  -17 36 o 13.835  3.2223  28.381    13.083    38.263    23.380    23.876    15.786    15.195  4.9792  12.475  4.0916  2.720313       6.444622 
1 1 1 15  -17 37 o 8.5619  2.7153  -1.5281   11.747    0.0189    21.968    -2.1475   13.901    9.5403  4.2506  7.5836  3.3799  1.956717       5.430584 
1 1 1 15  -17 38 o 17.744  3.3615  48.874    15.660    79.642    28.171    35.114    18.839    21.147  5.0440  14.341  4.4447  6.806203       6.722941 
1 1 1 15  -17 39 o 12.580  3.1653  27.449    13.523    17.751    25.394    31.288    15.977    11.547  4.8503  13.613  4.0684  -2.065346      6.330694 
1 1 1 15  -17 40 o 7.5553  3.6794  -28.2527  23.946    -28.2527  23.946    0.0000    0.0000    7.5553  3.6794  ?       ?       ?              ?        
1 1 1 15  -17 41 f 16.296  3.6771  48.788    16.966    72.178    31.033    38.817    20.261    18.228  5.7137  14.364  4.6302  3.864418       7.354295 
1 1 1 15  -17 42 o 8.3421  2.7788  -5.1267   14.019    -5.5426   28.251    -4.9908   16.148    9.2565  4.3673  7.4277  3.4369  1.828783       5.557506 
1 1 1 15  -17 43 o 24.053  3.7599  115.141   21.719    156.688   41.146    99.094    25.572    25.183  6.1525  22.922  4.3235  2.260908       7.519730 
1 1 1 15  -16 0  o 139.815 2.9171  2630.10   109.237   2618.47   155.036   2641.56   153.940   139.505 4.1491  140.126 4.1015  -0.6210938     5.834148 
1 1 1 15  -16 1  o 159.595 3.2581  3433.74   139.105   3250.06   197.169   3615.77   196.284   155.315 4.7395  163.875 4.4718  -8.559372      6.516153 
1 1 1 15  -16 2  o 27.301  1.9314  101.188   13.897    108.333   19.593    93.955    19.715    28.295  2.6148  26.306  2.8432  1.989531       3.862823 
1 1 1 15  -16 3  o 124.141 2.6857  2072.56   89.274    2020.87   126.660   2123.59   125.848   122.595 3.8572  125.687 3.7382  -3.092354      5.371466 
1 1 1 15  -16 4  o 118.345 2.5930  1883.00   82.171    1838.85   116.504   1926.70   115.914   116.958 3.7190  119.732 3.6144  -2.773781      5.186001 
1 1 1 15  -16 5  o 147.088 3.0618  2912.38   120.623   2897.85   170.905   2926.80   170.270   146.719 4.3489  147.456 4.3111  -0.7378693     6.123587 
1 1 1 15  -16 6  o 118.172 2.6060  1877.34   82.481    1858.12   116.712   1896.51   116.581   117.566 3.7064  118.779 3.6644  -1.213280      5.211967 
1 1 1 15  -16 7  o 100.330 2.3648  1352.48   63.532    1310.61   89.623    1394.76   90.075    98.765  3.3879  101.895 3.3004  -3.129707      4.729698 
1 1 1 15  -16 8  o 19.461  2.4551  53.235    12.081    33.044    16.699    75.405    17.498    15.390  4.0104  23.533  2.8330  -8.142674      4.910105 
1 1 1 15  -16 9  o 54.092  1.8303  392.821   26.505    402.116   37.214    383.250   37.761    54.744  2.5379  53.440  2.6381  1.303680       3.660648 
1 1 1 15  -16 10 o 6.6253  2.1101  -9.5181   8.2151    0.6054    12.172    -17.9885  11.133    7.9232  3.3446  5.3273  2.5738  2.595869       4.220267 
1 1 1 15  -16 11 o 59.098  1.8630  468.762   29.489    468.800   41.892    468.724   41.517    59.100  2.6464  59.096  2.6229  0.3673553E-02  3.725954 
1 1 1 15  -16 12 o 122.421 2.6821  2016.68   87.939    1996.66   124.737   2036.46   123.995   121.812 3.8231  123.029 3.7628  -1.217308      5.364197 
1 1 1 15  -16 13 o 70.011  1.9335  657.734   36.246    679.600   51.926    636.956   50.617    71.145  2.7249  68.876  2.7437  2.269539       3.866933 
1 1 1 15  -16 14 o 61.862  1.8673  513.391   30.927    528.683   44.539    499.151   42.979    62.750  2.6499  60.974  2.6316  1.776726       3.734639 
1 1 1 15  -16 15 o 124.000 2.6941  2071.10   89.466    2050.78   127.185   2090.99   125.874   123.391 3.8483  124.609 3.7714  -1.217857      5.388164 
1 1 1 15  -16 16 o 77.888  2.1116  815.089   44.041    839.209   63.102    792.180   61.497    79.011  2.9817  76.765  2.9909  2.246689       4.223267 
1 1 1 15  -16 17 o 52.560  1.9033  371.976   26.711    366.400   38.568    377.116   37.028    52.139  2.7716  52.981  2.6093  -0.8416214     3.806621 
1 1 1 15  -16 18 o 114.592 2.6002  1771.41   79.796    1751.45   113.459   1790.95   112.247   113.944 3.7176  115.240 3.6365  -1.295837      5.200436 
1 1 1 15  -16 19 f 164.813 3.4024  3689.27   150.169   3612.75   212.750   3765.25   211.994   163.082 4.8705  166.545 4.7523  -3.462723      6.804861 
1 1 1 15  -16 20 o 109.033 2.5223  1606.02   73.658    1614.76   104.711   1597.45   103.633   109.324 3.5759  108.742 3.5581  0.5826416      5.044505 
1 1 1 15  -16 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -16 22 o 80.886  2.2109  884.350   47.888    872.949   68.205    895.435   67.252    80.361  3.1687  81.410  3.0842  -1.048195      4.421852 
1 1 1 15  -16 23 o 47.372  1.9591  303.783   24.729    310.646   35.860    297.559   34.147    47.875  2.8088  46.868  2.7320  1.007751       3.918293 
1 1 1 15  -16 24 f 15.041  3.0096  31.848    12.669    31.309    18.100    32.365    17.739    14.935  4.2949  15.147  4.2170  -0.2116003     6.019114 
1 1 1 15  -16 25 o 42.649  2.0347  247.434   23.087    261.434   33.330    234.520   32.011    43.817  2.8555  41.480  2.8994  2.337132       4.069417 
1 1 1 15  -16 26 o 13.156  2.9481  23.460    11.854    17.451    16.965    29.194    16.570    11.953  4.2342  14.360  4.1032  -2.407161      5.896179 
1 1 1 15  -16 27 o 20.183  2.8311  58.175    14.761    61.952    21.184    54.611    20.579    20.851  3.9375  19.514  4.0689  1.336836       5.662148 
1 1 1 15  -16 28 o 28.783  2.5025  116.458   18.408    146.673   26.594    88.664    25.506    32.578  3.0844  24.987  3.9416  7.590883       5.004919 
1 1 1 15  -16 29 o 42.897  2.0619  256.755   22.932    236.257   35.863    270.934   29.827    41.273  3.2709  44.521  2.5115  -3.248505      4.123878 
1 1 1 15  -16 30 o 29.352  2.3033  124.055   16.793    107.685   27.431    133.867   21.237    27.507  3.8269  31.198  2.5642  -3.691036      4.606531 
1 1 1 15  -16 31 o 20.312  2.6673  58.580    13.494    63.533    22.639    55.851    16.805    20.813  4.2056  19.812  3.2818  1.001642       5.334555 
1 1 1 15  -16 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -16 33 f 31.159  2.2833  134.622   18.288    151.720   30.082    124.598   23.032    32.551  3.5056  29.767  2.9267  2.784729       4.566658 
1 1 1 15  -16 34 o 40.811  2.2097  231.200   23.516    264.778   37.922    210.219   29.976    43.027  3.3160  38.594  2.9214  4.433533       4.419351 
1 1 1 15  -16 35 o 23.739  2.9576  88.969    16.988    75.837    28.618    96.114    21.110    21.675  5.0270  25.803  3.1177  -4.128004      5.915285 
1 1 1 15  -16 36 o 16.447  3.2192  45.822    14.792    33.462    25.640    51.989    18.111    14.490  5.1977  18.405  3.7996  -3.915459      6.438396 
1 1 1 15  -16 37 o 18.921  3.1570  51.232    15.241    88.755    27.493    34.587    18.312    23.296  4.5693  14.547  4.3574  8.749646       6.313964 
1 1 1 15  -16 38 o 9.7676  2.9333  8.1438    12.648    -0.6190   24.891    11.194    14.685    9.8568  4.4471  9.6785  3.8263  0.1783066      5.866665 
1 1 1 15  -16 39 o 20.877  3.3511  85.593    18.140    54.212    32.461    99.843    21.875    16.245  5.8461  25.508  3.2774  -9.263273      6.702146 
1 1 1 15  -16 40 o 18.997  5.7673  74.783    31.921    74.783    31.921    0.0000    0.0000    18.997  5.7673  ?       ?       ?              ?        
1 1 1 15  -16 41 o 10.044  3.0946  9.7068    14.502    6.9421    28.209    10.700    16.908    10.481  4.7311  9.6070  3.9905  0.8741980      6.189268 
1 1 1 15  -16 42 o 6.9470  2.3911  -19.0285  13.215    -41.4606  26.455    -11.5699  15.255    7.2263  3.5853  6.6676  3.1646  0.5586743      4.782162 
1 1 1 15  -16 43 o 17.764  3.7805  72.238    18.974    77.447    36.072    70.245    22.311    16.407  6.1192  19.120  4.4413  -2.713282      7.561068 
1 1 1 15  -15 0  o 151.219 3.0876  3078.18   125.007   2989.81   177.270   3165.59   176.309   149.047 4.4404  153.391 4.2913  -4.343811      6.175116 
1 1 1 15  -15 1  o 156.912 3.1913  3319.03   133.864   3088.31   189.643   3548.14   188.984   151.440 4.6753  162.384 4.3450  -10.94371      6.382595 
1 1 1 15  -15 2  o 87.730  2.1417  1033.05   50.307    1071.97   71.563    995.019   70.734    89.366  2.9897  86.093  3.0674  3.272423       4.283392 
1 1 1 15  -15 3  f 98.907  2.3388  1313.75   61.957    1318.00   87.944    1309.56   87.300    99.065  3.3143  98.748  3.3006  0.3167725      4.677505 
1 1 1 15  -15 4  o 201.444 3.9909  5481.58   215.213   5278.78   304.713   5683.44   304.002   197.692 5.7546  205.195 5.5312  -7.503555      7.981828 
1 1 1 15  -15 5  o 67.608  1.9565  613.368   35.398    580.021   49.724    647.635   50.405    65.742  2.8238  69.474  2.7087  -3.731972      3.912917 
1 1 1 15  -15 6  o 48.725  1.8044  319.576   23.451    326.544   32.802    312.290   33.539    49.275  2.4934  48.175  2.6089  1.100040       3.608838 
1 1 1 15  -15 7  f 105.647 2.4010  1499.61   67.915    1445.10   95.778    1554.73   96.316    103.711 3.4479  107.584 3.3424  -3.872513      4.802058 
1 1 1 15  -15 8  o 108.960 2.4738  1595.41   72.193    1609.18   101.826   1581.49   102.369   109.435 3.4739  108.484 3.5230  0.9507904      4.947656 
1 1 1 15  -15 9  o 30.111  1.8485  122.610   14.750    127.910   20.895    117.345   20.825    30.771  2.5584  29.451  2.6689  1.319410       3.697092 
1 1 1 15  -15 10 o 54.299  1.8228  396.855   26.329    445.574   37.519    349.583   36.957    57.632  2.4305  50.965  2.7171  6.666691       3.645536 
1 1 1 15  -15 11 o 45.556  1.7993  279.451   21.852    275.526   31.359    283.155   30.467    45.239  2.5989  45.873  2.4889  -0.6338997     3.598507 
1 1 1 15  -15 12 o 135.535 2.8792  2472.39   104.520   2481.70   148.493   2463.26   147.143   135.786 4.0828  135.284 4.0607  0.5018768      5.758398 
1 1 1 15  -15 13 o 121.968 2.6880  2001.78   87.792    1971.67   124.874   2031.20   123.452   121.054 3.8513  122.882 3.7508  -1.828514      5.375934 
1 1 1 15  -15 14 f 32.780  1.8424  144.986   16.022    147.958   23.360    142.344   22.018    33.094  2.6577  32.467  2.5524  0.6267891      3.684890 
1 1 1 15  -15 15 f 105.906 2.4419  1508.43   69.260    1505.09   98.634    1511.68   97.278    105.786 3.4810  106.025 3.4254  -0.2386093     4.883775 
1 1 1 15  -15 16 o 104.796 2.3952  1477.51   67.215    1456.58   95.683    1497.90   94.442    104.057 3.4330  105.535 3.3410  -1.478043      4.790391 
1 1 1 15  -15 17 o 115.843 2.6078  1807.75   80.896    1779.88   115.087   1834.97   113.734   114.951 3.7379  116.734 3.6375  -1.783234      5.215662 
1 1 1 15  -15 18 o 261.510 5.1173  9383.52   358.241   9032.00   506.702   9734.85   506.557   256.492 7.3755  266.528 7.0957  -10.03604      10.23459 
1 1 1 15  -15 19 o 61.991  2.0055  516.560   33.284    525.286   47.958    508.450   46.230    62.493  2.8651  61.489  2.8070  1.004311       4.011003 
1 1 1 15  -15 20 o 165.146 3.4097  3704.35   150.825   3712.84   213.616   3695.90   212.984   165.334 4.8237  164.958 4.8204  0.3761444      6.819452 
1 1 1 15  -15 21 o 62.866  2.0507  532.116   34.514    555.305   49.414    510.025   48.228    64.206  2.8733  61.526  2.9266  2.680012       4.101312 
1 1 1 15  -15 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -15 23 o 66.191  2.1064  592.117   37.327    577.969   53.152    605.883   52.432    65.400  3.0343  66.982  2.9225  -1.582306      4.212790 
1 1 1 15  -15 24 o 19.341  2.7200  52.797    13.583    49.630    19.503    55.779    18.928    18.732  4.0083  19.949  3.6779  -1.217253      5.440000 
1 1 1 15  -15 25 o 38.007  2.0877  197.167   21.060    189.526   30.078    204.515   29.496    37.259  3.0404  38.754  2.8618  -1.495056      4.175413 
1 1 1 15  -15 26 o 37.435  2.1383  191.789   21.237    201.794   30.141    181.926   29.927    38.430  2.9508  36.440  3.0954  1.989300       4.276529 
1 1 1 15  -15 27 o 62.567  1.9907  527.359   33.184    584.761   50.178    482.742   44.239    65.549  2.8580  59.585  2.7719  5.963562       3.981360 
1 1 1 15  -15 28 o 59.312  1.9985  477.155   31.549    502.940   47.841    457.311   41.969    60.676  2.9437  57.948  2.7040  2.728886       3.997062 
1 1 1 15  -15 29 o 20.811  2.5833  62.038    13.310    59.822    22.130    63.293    16.660    20.330  4.2030  21.293  3.0046  -0.9636879     5.166520 
1 1 1 15  -15 30 o 68.263  2.1209  637.598   38.572    670.052   58.150    612.099   51.543    69.738  3.1131  66.788  2.8813  2.949982       4.241861 
1 1 1 15  -15 31 o 49.929  2.1256  348.974   27.707    323.369   42.749    367.521   36.384    48.139  3.3360  51.720  2.6352  -3.580738      4.251215 
1 1 1 15  -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -15 33 o 13.018  2.9759  18.487    11.915    41.580    21.117    7.7000    14.432    16.555  4.5982  9.4811  3.7790  7.073997       5.951849 
1 1 1 15  -15 34 o 8.9911  2.6932  1.6162    10.371    9.2025    19.027    -1.5907   12.371    10.551  4.2917  7.4307  3.2550  3.120745       5.386444 
1 1 1 15  -15 35 o 21.920  2.9556  71.067    16.080    81.318    27.408    65.687    19.857    22.815  4.6430  21.026  3.6587  1.788326       5.911284 
1 1 1 15  -15 36 o 16.702  3.2808  45.375    14.690    42.484    26.245    46.694    17.727    16.001  5.2770  17.403  3.8996  -1.402647      6.561528 
1 1 1 15  -15 37 o 13.173  3.2880  25.147    13.481    35.054    24.782    20.983    16.066    14.522  5.1205  11.824  4.1261  2.698119       6.575987 
1 1 1 15  -15 38 o 11.112  2.9474  17.136    13.209    -7.3329   24.556    27.100    15.669    9.2777  4.2735  12.946  4.0603  -3.668832      5.894794 
1 1 1 15  -15 39 o 18.771  3.4128  64.866    16.985    55.499    29.889    69.334    20.643    16.774  5.6343  20.768  3.8528  -3.993704      6.825598 
1 1 1 15  -15 40 o 23.729  5.5670  108.755   34.772    108.755   34.772    0.0000    0.0000    23.729  5.5670  ?       ?       ?              ?        
1 1 1 15  -15 41 o 13.469  3.5176  29.977    15.253    48.405    29.478    23.240    17.825    15.189  5.5553  11.748  4.3164  3.440922       7.035116 
1 1 1 15  -15 42 o 12.284  3.4804  27.148    16.305    32.709    30.778    24.978    19.224    12.763  5.3492  11.805  4.4542  0.9576769      6.960825 
1 1 1 15  -15 43 o 9.7638  2.9932  12.363    14.549    -4.9624   29.303    18.031    16.761    9.2124  4.3764  10.315  4.0847  -1.102787      5.986497 
1 1 1 15  -14 0  o 47.279  1.7591  300.736   22.187    290.979   31.426    310.433   31.329    46.508  2.5323  48.049  2.4424  -1.541271      3.518193 
1 1 1 15  -14 1  o 121.092 2.6185  1972.77   84.793    1850.86   120.253   2093.31   119.579   117.353 3.8257  124.830 3.5764  -7.477318      5.237058 
1 1 1 15  -14 2  o 61.884  1.8348  513.711   30.413    515.908   43.134    511.539   42.888    62.016  2.5968  61.753  2.5929  0.2629852      3.669643 
1 1 1 15  -14 3  o 157.604 3.1770  3343.21   134.102   3305.33   190.121   3380.71   189.181   156.709 4.5294  158.499 4.4562  -1.789413      6.354004 
1 1 1 15  -14 4  o 68.790  1.9358  634.990   35.656    614.020   50.306    656.161   50.545    67.647  2.7764  69.934  2.6984  -2.286507      3.871621 
1 1 1 15  -14 5  o 139.074 2.9365  2601.79   109.369   2551.24   154.838   2652.12   154.505   137.719 4.1975  140.429 4.1077  -2.709213      5.873027 
1 1 1 15  -14 6  o 68.797  1.9547  635.008   36.017    623.830   50.634    646.457   51.244    68.184  2.7725  69.410  2.7563  -1.226318      3.909479 
1 1 1 15  -14 7  o 100.295 2.3204  1350.84   62.332    1335.34   87.883    1366.54   88.422    99.715  3.2904  100.875 3.2726  -1.159676      4.640774 
1 1 1 15  -14 8  o 12.336  2.3271  20.410    8.3617    31.807    12.064    9.8721    11.600    15.119  3.0835  9.5530  3.4863  5.565950       4.654294 
1 1 1 15  -14 9  f 52.923  1.7820  375.715   25.260    379.687   35.891    371.817   35.558    53.200  2.5187  52.646  2.5217  0.5543442      3.564095 
1 1 1 15  -14 10 o 77.238  2.0233  800.854   41.852    793.775   59.569    807.753   58.813    76.899  2.8921  77.577  2.8304  -0.6778717     4.046634 
1 1 1 15  -14 11 o 107.480 2.4365  1552.10   70.139    1564.20   99.903    1540.34   98.495    107.892 3.4570  107.068 3.4345  0.8238831      4.873085 
1 1 1 15  -14 12 o 223.356 4.3092  6752.58   257.783   6857.32   365.417   6648.81   363.709   225.093 6.0609  221.619 6.1271  3.474121       8.618382 
1 1 1 15  -14 13 o 26.295  1.9973  93.921    13.779    93.446    20.463    94.315    18.637    26.215  2.9665  26.375  2.6751  -0.1602631     3.994544 
1 1 1 15  -14 14 o 71.068  1.9844  678.094   37.758    676.631   54.148    679.479   52.677    70.991  2.8477  71.145  2.7643  -0.1543503     3.968726 
1 1 1 15  -14 15 o 62.361  1.9015  521.463   31.742    540.005   45.840    504.382   43.997    63.424  2.6984  61.298  2.6797  2.126717       3.802921 
1 1 1 15  -14 16 o 93.449  2.2394  1173.69   56.040    1168.74   79.967    1178.46   78.558    93.252  3.2016  93.646  3.1319  -0.3942719     4.478735 
1 1 1 15  -14 17 o 145.184 3.0324  2842.29   117.912   2893.46   167.379   2791.88   166.133   146.486 4.2659  143.881 4.3108  2.604767       6.064793 
1 1 1 15  -14 18 o 89.344  2.2370  1073.24   53.527    1089.27   76.445    1057.83   74.974    89.998  3.1712  88.691  3.1560  1.306587       4.474075 
1 1 1 15  -14 19 o 78.012  2.1702  818.970   45.324    806.842   64.855    830.547   63.365    77.441  3.1267  78.583  3.0105  -1.142487      4.340424 
1 1 1 15  -14 20 o 36.574  2.0702  180.350   20.026    204.073   29.294    159.534   27.440    38.849  2.8348  34.298  3.0176  4.550209       4.140309 
1 1 1 15  -14 21 o 100.390 2.4635  1360.12   66.241    1367.77   93.929    1352.55   93.432    100.671 3.4834  100.109 3.4844  0.5618210      4.927041 
1 1 1 15  -14 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -14 23 o 32.144  2.2240  141.464   18.810    129.712   27.011    152.531   26.210    30.797  3.3274  33.492  2.9518  -2.695442      4.447990 
1 1 1 15  -14 24 o 57.428  2.0917  447.017   32.058    455.958   45.225    437.986   45.451    58.016  2.9197  56.841  2.9959  1.175121       4.183309 
1 1 1 15  -14 25 o 56.157  1.9243  422.999   28.800    459.468   43.470    394.467   38.449    58.285  2.7845  54.029  2.6569  4.256123       3.848658 
1 1 1 15  -14 26 f 51.113  1.9624  356.648   26.471    340.371   40.120    369.196   35.227    49.977  3.0112  52.249  2.5172  -2.272274      3.924747 
1 1 1 15  -14 27 o 45.218  2.0288  286.064   23.733    237.218   36.060    323.394   31.523    41.557  3.2659  48.878  2.4079  -7.321087      4.057556 
1 1 1 15  -14 28 o 53.511  1.9694  385.437   27.979    435.901   42.735    347.578   37.015    56.562  2.8207  50.459  2.7491  6.103535       3.938787 
1 1 1 15  -14 29 o 21.855  2.4440  66.640    13.521    70.569    21.770    64.174    17.251    22.281  3.7831  21.429  3.0953  0.8519173      4.888042 
1 1 1 15  -14 30 o 72.938  2.1801  730.492   42.373    743.190   63.414    720.249   56.954    73.419  3.2246  72.456  2.9347  0.9636307      4.360125 
1 1 1 15  -14 31 o 52.804  2.0843  383.773   29.063    393.320   44.580    376.716   38.328    53.269  3.1384  52.338  2.7436  0.9308777      4.168558 
1 1 1 15  -14 32 o 30.936  6.0940  149.180   48.700    149.180   48.700    0.0000    0.0000    30.936  6.0940  ?       ?       ?              ?        
1 1 1 15  -14 33 o 14.009  2.8835  30.425    12.041    15.100    20.579    38.402    14.847    11.799  4.5688  16.218  3.5190  -4.419339      5.766906 
1 1 1 15  -14 34 o 23.347  2.7315  79.569    15.831    82.453    26.489    77.967    19.745    23.384  4.3904  23.310  3.2510  0.7402229E-01  5.463048 
1 1 1 15  -14 35 o 14.340  3.1941  31.367    13.319    29.957    23.070    32.072    16.312    14.170  4.9443  14.509  4.0453  -0.3385916     6.388283 
1 1 1 15  -14 36 o 12.497  3.1901  21.810    13.062    24.640    22.969    20.458    15.879    13.117  4.8848  11.876  4.1044  1.240903       6.380177 
1 1 1 15  -14 37 o 20.936  3.1602  80.064    17.063    42.481    28.760    100.478   21.196    15.693  5.5179  26.178  3.0820  -10.48487      6.320311 
1 1 1 15  -14 38 o 21.819  3.1452  91.815    17.464    42.697    29.826    117.440   21.543    15.337  5.5913  28.302  2.8821  -12.96517      6.290359 
1 1 1 15  -14 39 o 11.406  3.1756  18.394    13.595    18.295    24.562    18.438    16.323    11.714  4.8330  11.097  4.1208  0.6166534      6.351241 
1 1 1 15  -14 40 o 16.067  5.6189  52.126    29.803    52.126    29.803    0.0000    0.0000    16.067  5.6189  ?       ?       ?              ?        
1 1 1 15  -14 41 o 12.617  3.4339  24.784    14.557    39.001    29.451    20.188    16.745    14.020  5.4554  11.215  4.1718  2.805270       6.867728 
1 1 1 15  -14 42 o 15.720  3.6751  49.599    17.116    56.772    32.003    46.726    20.256    15.642  5.7776  15.799  4.5436  -0.1573124     7.350162 
1 1 1 15  -14 43 o 18.205  3.7608  69.310    18.311    86.229    34.267    62.548    21.663    18.367  6.0284  18.043  4.4982  0.3239460      7.521679 
1 1 1 15  -13 0  o 178.633 3.5395  4302.46   169.099   4037.81   239.437   4565.82   238.850   173.114 5.1638  184.152 4.8424  -11.03796      7.079080 
1 1 1 15  -13 1  o 68.209  1.9161  624.189   35.003    617.287   49.684    630.990   49.322    67.834  2.7345  68.585  2.6849  -0.7508469     3.832240 
1 1 1 15  -13 2  o 15.166  2.1183  32.196    8.2840    39.751    11.766    24.770    11.665    17.010  2.6704  13.321  3.2891  3.689270       4.236609 
1 1 1 15  -13 3  o 184.795 3.6827  4602.26   182.269   4544.66   258.185   4659.49   257.352   183.633 5.2492  185.957 5.1668  -2.323563      7.365469 
1 1 1 15  -13 4  o 48.762  2.0573  323.714   25.815    304.301   41.792    335.691   32.826    47.493  3.3059  50.031  2.4496  -2.537903      4.114562 
1 1 1 15  -13 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -13 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -13 7  o 96.175  4.5790  1245.09   117.956   0.0000    0.0000    1245.09   117.956   ?       ?       96.175  4.5790  ?              ?        
1 1 1 15  -13 8  o 182.566 3.6142  4493.94   176.656   4656.08   250.158   4332.65   249.503   185.872 5.0247  179.261 5.1964  6.610962       7.228432 
1 1 1 15  -13 9  o 118.978 2.5846  1902.20   82.364    1916.43   116.942   1888.20   116.023   119.419 3.6560  118.537 3.6543  0.8824463      5.169166 
1 1 1 15  -13 10 o 137.512 2.8870  2543.64   106.329   2537.41   151.095   2549.75   149.659   137.342 4.1073  137.683 4.0582  -0.3409119     5.773997 
1 1 1 15  -13 11 o 47.985  1.7260  309.449   22.097    315.581   31.912    303.800   30.628    48.440  2.4677  47.530  2.4138  0.9106331      3.451945 
1 1 1 15  -13 12 o 43.452  1.7538  254.766   20.271    241.805   29.250    266.742   28.118    42.373  2.5896  44.532  2.3659  -2.158306      3.507643 
1 1 1 15  -13 13 o 126.890 2.6996  2165.04   91.739    2214.85   130.466   2116.32   129.023   128.336 3.7954  125.443 3.8400  2.892967       5.399136 
1 1 1 15  -13 14 o 105.953 2.3739  1507.93   67.341    1570.87   96.118    1447.26   94.374    108.128 3.3188  103.778 3.3951  4.349297       4.747766 
1 1 1 15  -13 15 o 31.130  1.9937  132.279   16.285    117.396   23.646    145.706   22.460    29.409  3.0459  32.851  2.5731  -3.441862      3.987307 
1 1 1 15  -13 16 o 36.034  1.8878  174.970   18.055    179.464   26.514    171.085   24.654    36.460  2.7349  35.608  2.6029  0.8523369      3.775580 
1 1 1 15  -13 17 o 29.647  2.0671  118.643   16.158    130.002   23.760    108.869   22.039    30.977  2.8973  28.317  2.9490  2.659863       4.134154 
1 1 1 15  -13 18 o 135.719 2.9042  2483.13   105.511   2592.34   149.779   2375.55   148.658   138.697 4.0318  132.740 4.1812  5.957184       5.808370 
1 1 1 15  -13 19 o 9.8009  2.7407  6.6605    10.728    10.216    15.392    3.3015    14.961    10.442  3.9745  9.1602  3.7747  1.281312       5.481317 
1 1 1 15  -13 20 o 97.906  2.4020  1291.11   62.980    1321.28   89.267    1261.21   88.868    99.050  3.3647  96.762  3.4289  2.287918       4.804009 
1 1 1 15  -13 21 o 40.715  2.0473  224.143   22.159    237.534   31.647    211.262   31.038    41.922  2.8351  39.508  2.9544  2.413792       4.094644 
1 1 1 15  -13 22 o 57.712  1.9722  451.190   30.167    430.371   45.069    468.088   40.604    56.437  2.9921  58.986  2.5700  -2.549343      3.944301 
1 1 1 15  -13 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -13 24 o 42.419  1.9271  243.527   21.565    245.051   32.908    242.380   28.549    42.503  2.9081  42.335  2.5293  0.1675873      3.854116 
1 1 1 15  -13 25 o 44.239  1.9289  264.772   22.548    270.112   34.356    260.731   29.885    44.598  2.8917  43.880  2.5537  0.7171936      3.857850 
1 1 1 15  -13 26 o 54.490  1.9892  405.479   28.650    381.897   43.024    424.266   38.402    52.961  3.0458  56.019  2.5593  -3.058140      3.978337 
1 1 1 15  -13 27 o 35.581  2.0489  176.397   18.846    155.388   28.999    191.758   24.797    33.602  3.2632  37.559  2.4788  -3.957123      4.097861 
1 1 1 15  -13 28 o 24.284  2.2799  81.351    14.189    85.258    22.529    78.782    18.268    24.692  3.5046  23.876  2.9171  0.8160820      4.559819 
1 1 1 15  -13 29 o 29.588  2.2148  123.029   16.775    112.521   26.291    130.244   21.786    28.363  3.5376  30.813  2.6659  -2.450626      4.429630 
1 1 1 15  -13 30 o 77.490  2.2082  819.835   45.667    899.331   68.146    755.037   61.525    80.860  3.1464  74.119  3.0991  6.741119       4.416358 
1 1 1 15  -13 31 o 37.027  2.1218  186.761   20.568    208.106   32.500    172.501   26.564    38.706  3.1625  35.347  2.8295  3.358208       4.243516 
1 1 1 15  -13 32 o 23.107  4.3085  78.254    25.684    78.254    25.684    0.0000    0.0000    23.107  4.3085  ?       ?       ?              ?        
1 1 1 15  -13 33 f 37.736  2.2095  197.395   21.643    210.940   34.843    188.886   27.616    38.627  3.4025  36.845  2.8198  1.781902       4.419029 
1 1 1 15  -13 34 o 6.9672  2.2748  -8.2205   9.4541    -17.7218  17.298    -4.1733   11.289    7.1914  3.4004  6.7430  3.0226  0.4483895      4.549574 
1 1 1 15  -13 35 o 19.113  2.9147  49.972    14.316    84.508    24.378    31.795    17.687    23.789  3.9656  14.438  4.2728  9.350861       5.829469 
1 1 1 15  -13 36 o 9.2188  2.7649  4.2384    11.685    -7.6477   21.531    9.2006    13.912    8.9693  4.0821  9.4682  3.7302  -0.4988947     5.529769 
1 1 1 15  -13 37 o 9.1165  2.7830  1.5571    11.430    9.8214    20.925    -1.9572   13.645    10.626  4.4286  7.6072  3.3718  3.018648       5.566067 
1 1 1 15  -13 38 o 23.519  3.0743  90.501    17.640    86.223    30.041    92.752    21.792    22.263  5.1416  24.774  3.3717  -2.511202      6.148544 
1 1 1 15  -13 39 o 11.147  3.0649  17.501    13.804    -2.9466   26.736    24.933    16.119    9.9006  4.5225  12.394  4.1378  -2.493237      6.129818 
1 1 1 15  -13 40 o 18.972  5.7098  71.966    31.388    71.966    31.388    0.0000    0.0000    18.972  5.7098  ?       ?       ?              ?        
1 1 1 15  -13 41 o 9.6280  3.0075  3.0015    13.659    16.753    25.963    -2.2614   16.062    11.362  4.8440  7.8941  3.5660  3.467941       6.015056 
1 1 1 15  -13 42 o 5.9971  2.1237  -34.2352  12.613    -59.7387  25.623    -26.0794  14.490    6.4927  3.2657  5.5016  2.7157  0.9911761      4.247333 
1 1 1 15  -13 43 o 17.632  3.8240  70.854    19.630    71.649    35.319    70.499    23.613    16.252  6.0563  19.012  4.6705  -2.759989      7.648026 
1 1 1 15  -12 0  o 86.755  4.2512  1011.85   98.788    0.0000    0.0000    1011.85   98.788    ?       ?       86.755  4.2512  ?              ?        
1 1 1 15  -12 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -12 2  o 89.730  3.1513  1083.47   75.517    1098.63   109.835   1069.88   103.998   90.259  4.5579  89.200  4.3528  1.059608       6.302527 
1 1 1 15  -12 3  o 31.414  1.6623  133.150   13.845    121.046   19.424    145.652   19.741    29.946  2.4430  32.883  2.2549  -2.937704      3.324556 
1 1 1 15  -12 4  o 150.032 3.0201  3027.01   121.340   2962.29   171.802   3091.43   171.399   148.425 4.3215  151.640 4.2199  -3.215012      6.040133 
1 1 1 15  -12 5  o 87.016  2.1329  1016.67   49.662    962.565   70.143    1071.05   70.324    84.689  3.0922  89.343  2.9387  -4.653946      4.265861 
1 1 1 15  -12 6  o 92.431  2.2179  1146.74   54.908    1138.53   77.689    1154.94   77.614    92.100  3.1493  92.763  3.1238  -0.6630859     4.435773 
1 1 1 15  -12 7  o 236.022 4.5492  7531.65   287.575   7629.03   407.103   7434.65   406.284   237.557 6.3980  234.487 6.4688  3.070160       9.098359 
1 1 1 15  -12 8  f 152.129 3.8635  3173.25   147.822   3280.52   182.051   2965.66   253.256   156.160 4.3525  148.097 6.3845  8.063278       7.726915 
1 1 1 15  -12 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -12 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -12 11 o 8.8450  1.9077  5.3883    6.8071    -13.5056  10.057    21.363    9.2474    5.3192  2.5373  12.371  2.8496  -7.051615      3.815488 
1 1 1 15  -12 12 o 91.843  2.2117  1132.85   54.393    1122.19   77.630    1143.14   76.235    91.415  3.1705  92.271  3.0846  -0.8561325     4.423428 
1 1 1 15  -12 13 o 154.761 3.1495  3225.22   130.554   3228.96   185.283   3221.52   183.986   154.848 4.4673  154.674 4.4410  0.1735229      6.299088 
1 1 1 15  -12 14 o 110.736 2.5184  1648.40   74.685    1631.83   106.234   1664.59   105.018   110.181 3.5997  111.290 3.5230  -1.108978      5.036835 
1 1 1 15  -12 15 o 49.052  1.8797  322.335   24.556    361.252   35.787    287.710   33.756    51.886  2.5751  46.218  2.7390  5.668072       3.759377 
1 1 1 15  -12 16 o 53.052  1.9118  377.396   27.067    409.184   39.276    348.642   37.354    55.215  2.6557  50.889  2.7507  4.326015       3.823506 
1 1 1 15  -12 17 o 49.446  1.9235  328.918   25.361    337.366   36.681    321.182   35.102    50.053  2.7465  48.840  2.6937  1.213821       3.846986 
1 1 1 15  -12 18 o 126.027 2.7938  2139.19   94.293    2184.98   133.441   2093.52   133.259   127.381 3.9111  124.673 3.9906  2.708328       5.587599 
1 1 1 15  -12 19 o 105.898 2.5247  1509.50   71.609    1495.32   101.063   1523.80   101.479   105.397 3.5799  106.398 3.5608  -1.001823      5.049303 
1 1 1 15  -12 20 o 11.521  2.6182  17.253    8.8920    17.293    15.051    17.232    11.021    11.776  3.9980  11.265  3.3818  0.5110836      5.236484 
1 1 1 15  -12 21 o 129.464 2.7977  2261.84   96.970    2322.75   139.793   2205.34   134.626   131.136 3.9799  127.792 3.9331  3.344650       5.595466 
1 1 1 15  -12 22 o 28.033  2.2308  111.909   15.594    87.057    24.202    129.549   20.390    25.123  3.7081  30.943  2.4811  -5.819727      4.461581 
1 1 1 15  -12 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -12 24 o 39.649  1.9190  210.935   20.124    230.082   30.672    196.463   26.665    41.208  2.7954  38.091  2.6297  3.116879       3.837942 
1 1 1 15  -12 25 o 67.109  2.0698  611.869   36.958    578.885   54.612    639.735   50.198    65.390  3.1181  68.829  2.7229  -3.439133      4.139634 
1 1 1 15  -12 26 o 94.211  2.3663  1208.04   59.573    1190.02   86.886    1224.03   81.839    93.494  3.4696  94.928  3.2186  -1.434349      4.732616 
1 1 1 15  -12 27 o 29.113  2.0649  112.743   15.618    143.520   24.554    91.832    20.240    32.395  2.8592  25.832  2.9800  6.563297       4.129814 
1 1 1 15  -12 28 o 49.019  2.0342  331.934   26.177    299.028   39.480    357.750   34.970    46.684  3.1762  51.355  2.5423  -4.670761      4.068359 
1 1 1 15  -12 29 o 18.045  2.6237  44.774    12.013    55.647    19.590    38.220    15.209    19.738  3.8438  16.352  3.5723  3.385574       5.247495 
1 1 1 15  -12 30 o 31.924  2.1461  139.032   17.860    152.019   28.234    130.369   23.059    33.094  3.2261  30.754  2.8312  2.340836       4.292264 
1 1 1 15  -12 31 o 12.361  2.9648  19.326    11.200    24.871    19.383    16.546    13.724    13.501  4.5373  11.221  3.8176  2.280185       5.929651 
1 1 1 15  -12 32 o 14.768  4.7121  31.399    21.025    31.399    21.025    0.0000    0.0000    14.768  4.7121  ?       ?       ?              ?        
1 1 1 15  -12 33 o 16.874  3.0857  42.130    13.568    43.533    23.184    41.399    16.733    16.962  4.8558  16.786  3.8089  0.1763954      6.171473 
1 1 1 15  -12 34 o 17.825  2.9586  51.903    14.011    30.847    23.318    63.801    17.528    14.550  4.9761  21.100  3.2018  -6.550074      5.917190 
1 1 1 15  -12 35 o 7.5444  2.4613  -9.0820   9.4817    -0.8979   19.919    -11.4798  10.782    9.4071  4.1252  5.6817  2.6860  3.725331       4.922610 
1 1 1 15  -12 36 o 36.316  2.3776  188.348   22.260    207.783   36.455    176.795   28.108    37.514  3.6753  35.118  3.0174  2.395493       4.755270 
1 1 1 15  -12 37 f 23.911  3.1442  98.228    18.062    67.693    30.150    115.321   22.558    19.683  5.5040  28.138  3.0415  -8.454847      6.288453 
1 1 1 15  -12 38 o 18.736  3.2516  62.331    16.135    46.173    27.765    70.569    19.826    16.031  5.4302  21.440  3.5784  -5.408983      6.503224 
1 1 1 15  -12 39 o 14.453  3.4245  36.161    15.061    35.462    27.561    36.458    17.984    14.168  5.3361  14.738  4.2936  -0.5703793     6.849001 
1 1 1 15  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -12 41 o 9.1185  2.8100  3.8606    13.361    -20.3738  25.947    12.605    15.586    8.3858  4.0204  9.8511  3.9270  -1.465324      5.620043 
1 1 1 15  -12 42 o 8.6919  2.8464  -10.8359  13.040    19.067    26.777    -20.1315  14.929    11.391  4.8895  5.9926  2.9155  5.398709       5.692705 
1 1 1 15  -12 43 o 7.9910  2.7155  -11.3910  13.894    -0.7234   28.339    -14.7665  15.941    9.4678  4.4378  6.5142  3.1306  2.953534       5.430917 
1 1 1 15  -11 0  o 21.497  1.6823  62.725    9.5228    63.351    13.399    62.086    13.536    21.610  2.3529  21.384  2.4050  0.2257290      3.364553 
1 1 1 15  -11 1  o 64.417  1.8180  556.474   31.363    568.697   44.427    544.331   44.283    65.123  2.5470  63.711  2.5949  1.411930       3.636034 
1 1 1 15  -11 2  o 203.601 3.9305  5585.41   214.346   5611.60   303.550   5559.36   302.714   204.078 5.5532  203.124 5.5640  0.9545288      7.861034 
1 1 1 15  -11 3  o 62.568  1.7951  524.943   30.084    523.984   42.461    525.910   42.630    62.510  2.5360  62.625  2.5414  -0.1145821     3.590280 
1 1 1 15  -11 4  o 49.702  1.7195  331.705   22.816    309.140   32.027    354.958   32.512    47.950  2.5024  51.454  2.3590  -3.504036      3.439029 
1 1 1 15  -11 5  o 120.462 2.6112  1948.79   84.251    1967.12   119.446   1930.64   118.853   121.027 3.6847  119.897 3.7009  1.129173       5.222439 
1 1 1 15  -11 6  o 134.848 2.8455  2443.84   102.766   2416.53   145.818   2470.78   144.851   134.096 4.0598  135.601 3.9882  -1.505142      5.691018 
1 1 1 15  -11 7  f 93.456  2.2144  1172.43   55.419    1157.36   78.888    1187.11   77.872    92.861  3.1717  94.052  3.0912  -1.190880      4.428879 
1 1 1 15  -11 8  o 33.814  1.6383  154.613   14.689    143.664   21.180    164.760   20.389    32.640  2.4403  34.988  2.1867  -2.348179      3.276687 
1 1 1 15  -11 9  o 35.101  1.6216  165.867   15.148    166.863   21.932    164.959   20.947    35.198  2.3396  35.004  2.2461  0.1946373      3.243248 
1 1 1 15  -11 10 o 123.010 2.6482  2033.22   87.250    2040.90   123.997   2025.68   122.793   123.239 3.7564  122.781 3.7338  0.4580078      5.296428 
1 1 1 15  -11 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -11 12 o 75.529  2.4304  764.526   45.459    775.061   81.554    759.778   54.755    75.809  4.0309  75.249  2.7166  0.5604858      4.860856 
1 1 1 15  -11 13 o 124.387 2.6881  2079.97   89.555    2097.20   127.282   2063.08   126.027   124.896 3.8047  123.877 3.7982  1.019249       5.376125 
1 1 1 15  -11 14 o 115.114 2.5849  1780.97   79.688    1823.59   113.384   1739.38   112.021   116.477 3.6343  113.751 3.6767  2.726151       5.169733 
1 1 1 15  -11 15 o 149.140 3.1099  2995.35   124.210   3067.88   176.110   2923.56   175.213   150.944 4.3559  147.335 4.4399  3.608673       6.219837 
1 1 1 15  -11 16 o 98.042  2.3668  1291.77   62.124    1343.25   88.134    1240.94   87.581    99.989  3.2908  96.095  3.4027  3.894066       4.733675 
1 1 1 15  -11 17 o 56.795  1.8910  435.098   28.503    419.150   42.508    448.125   38.419    55.800  2.8536  57.790  2.4820  -1.989395      3.782030 
1 1 1 15  -11 18 o 71.053  1.9929  675.784   37.855    712.583   55.690    644.177   51.611    72.843  2.8543  69.263  2.7820  3.579750       3.985789 
1 1 1 15  -11 19 o 83.428  2.1534  936.245   48.011    922.162   70.015    948.744   65.961    82.824  3.1561  84.031  2.9306  -1.206963      4.306882 
1 1 1 15  -11 20 o 115.405 2.6153  1797.26   80.685    1727.21   116.260   1862.36   112.068   113.206 3.8342  117.604 3.5577  -4.397034      5.230512 
1 1 1 15  -11 21 o 94.402  2.3058  1198.78   58.247    1225.10   84.572    1175.02   80.339    95.379  3.3104  93.424  3.2105  1.954338       4.611555 
1 1 1 15  -11 22 o 82.177  2.2132  914.357   48.454    848.240   70.542    973.416   66.670    79.320  3.3203  85.034  2.9272  -5.714340      4.426353 
1 1 1 15  -11 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -11 24 o 47.415  1.9256  301.816   24.235    326.096   36.533    282.735   32.386    49.100  2.7894  45.730  2.6555  3.369637       3.851269 
1 1 1 15  -11 25 o 76.406  2.1267  787.768   43.434    814.062   63.898    765.184   59.219    77.572  3.0753  75.240  2.9385  2.331940       4.253488 
1 1 1 15  -11 26 o 35.934  1.9695  174.268   18.647    186.385   28.646    165.359   24.564    36.988  2.9151  34.879  2.6491  2.108250       3.938958 
1 1 1 15  -11 27 o 65.403  2.0747  581.926   36.143    569.770   53.708    591.987   48.862    64.727  3.0979  66.080  2.7607  -1.353691      4.149497 
1 1 1 15  -11 28 o 18.467  2.6546  45.896    12.533    66.254    20.211    33.176    15.976    21.704  3.6030  15.230  3.8994  6.473564       5.309128 
1 1 1 15  -11 29 o 29.745  2.1353  117.879   16.472    148.633   26.366    98.193    21.094    32.843  3.0315  26.647  3.0082  6.195667       4.270682 
1 1 1 15  -11 30 o 84.509  2.3116  979.170   52.143    1026.23   77.684    940.583   70.343    86.285  3.3613  82.733  3.1743  3.551926       4.623297 
1 1 1 15  -11 31 o 22.527  2.6880  75.787    14.628    62.040    24.501    83.402    18.235    20.538  4.5715  24.516  2.8288  -3.978678      5.375927 
1 1 1 15  -11 32 o 42.246  5.2049  263.889   57.650    263.889   57.650    0.0000    0.0000    42.246  5.2049  ?       ?       ?              ?        
1 1 1 15  -11 33 o 10.549  2.8164  7.5909    10.778    24.217    18.974    -0.3294   13.096    13.212  4.4889  7.8873  3.4028  5.324173       5.632853 
1 1 1 15  -11 34 f 23.973  2.6286  77.082    15.572    124.705   25.994    50.424    19.448    29.571  3.3404  18.376  4.0596  11.19511       5.257256 
1 1 1 15  -11 35 o 22.132  2.9030  75.146    15.738    68.264    26.545    78.876    19.542    20.859  4.8439  23.406  3.2011  -2.546324      5.806093 
1 1 1 15  -11 36 o 44.778  2.2589  283.059   26.302    315.884   42.746    263.060   33.366    46.573  3.4512  42.982  2.9154  3.590958       4.517775 
1 1 1 15  -11 37 f 15.176  3.2670  38.073    14.227    32.387    25.399    40.673    17.174    14.259  5.1656  16.092  4.0013  -1.833092      6.534047 
1 1 1 15  -11 38 o 11.354  3.1206  10.865    13.270    34.454    23.949    0.4135    15.941    14.302  5.0347  8.4069  3.6885  5.895175       6.241241 
1 1 1 15  -11 39 o 15.013  3.4671  40.078    15.813    35.174    28.468    42.266    19.017    14.167  5.4022  15.859  4.3472  -1.692298      6.934148 
1 1 1 15  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -11 41 f 19.407  3.6784  66.742    18.326    86.932    33.430    58.067    21.912    20.653  5.8029  18.161  4.5220  2.492222       7.356758 
1 1 1 15  -11 42 o 14.134  3.6287  36.144    16.320    54.883    30.861    28.868    19.229    15.672  5.6914  12.597  4.5031  3.075371       7.257353 
1 1 1 15  -11 43 o 9.5962  3.0414  8.3043    14.838    9.3613    28.694    7.9184    17.335    10.213  4.6729  8.9792  3.8943  1.233880       6.082853 
1 1 1 15  -10 0  o 210.858 4.0858  5990.55   230.755   6004.29   326.837   5976.91   325.840   211.099 5.7804  210.618 5.7759  0.4808655      8.171529 
1 1 1 15  -10 1  o 65.156  1.8214  569.228   31.787    571.155   44.979    567.305   44.929    65.266  2.5730  65.045  2.5788  0.2205276      3.642857 
1 1 1 15  -10 2  o 116.191 2.4973  1812.14   77.719    1829.86   110.006   1794.48   109.817   116.759 3.5175  115.622 3.5460  1.136398       4.994689 
1 1 1 15  -10 3  o 30.229  1.6053  123.130   12.872    112.439   17.959    134.427   18.460    28.866  2.3429  31.592  2.1952  -2.726059      3.210669 
1 1 1 15  -10 4  o 62.887  1.8408  530.309   31.005    529.857   43.988    530.755   43.709    62.860  2.6126  62.914  2.5938  -0.5382156E-01 3.681516 
1 1 1 15  -10 5  o 64.088  1.8672  550.549   32.042    568.868   45.834    533.036   44.813    65.131  2.6273  63.046  2.6537  2.085426       3.734308 
1 1 1 15  -10 6  o 62.575  1.8544  524.787   31.071    540.846   44.570    509.602   43.338    63.506  2.6202  61.644  2.6248  1.861752       3.708769 
1 1 1 15  -10 7  o 50.020  1.7209  335.338   23.050    342.341   33.021    328.684   32.191    50.529  2.4399  49.511  2.4274  1.017799       3.441703 
1 1 1 15  -10 8  o 123.276 2.6447  2041.20   87.325    2048.50   124.030   2034.03   122.969   123.493 3.7497  123.058 3.7308  0.4350586      5.289479 
1 1 1 15  -10 9  o 116.685 2.5525  1828.52   79.772    1843.93   113.398   1813.42   112.240   117.171 3.6132  116.198 3.6063  0.9728394      5.104965 
1 1 1 15  -10 10 o 132.852 2.7827  2371.95   99.018    2395.06   140.653   2349.24   139.420   133.493 3.9337  132.210 3.9371  1.283463       5.565467 
1 1 1 15  -10 11 o 66.834  1.9216  600.233   34.342    574.083   49.254    624.974   47.908    65.411  2.8113  68.257  2.6205  -2.846138      3.843198 
1 1 1 15  -10 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -10 13 o 106.260 2.4004  1516.51   68.298    1568.04   97.164    1466.18   96.023    108.048 3.3574  104.472 3.4315  3.575310       4.800740 
1 1 1 15  -10 14 f 175.530 4.3557  4224.89   192.952   4345.27   238.118   3994.68   329.279   179.535 4.9517  171.525 7.1672  8.010086       8.711345 
1 1 1 15  -10 15 o 120.981 2.6346  1966.61   85.334    2003.38   122.972   1932.45   118.512   122.067 3.7611  119.896 3.6904  2.171440       5.269260 
1 1 1 15  -10 16 o 59.115  1.8741  466.909   29.592    495.978   43.895    442.690   40.066    60.792  2.6957  57.438  2.6043  3.354538       3.748269 
1 1 1 15  -10 17 o 52.795  1.8630  374.246   26.197    378.343   38.847    370.829   35.478    53.020  2.7449  52.570  2.5196  0.4497986      3.725965 
1 1 1 15  -10 18 o 101.859 2.3999  1395.75   65.396    1371.76   94.351    1417.94   90.724    101.005 3.4875  102.713 3.2977  -1.707855      4.799707 
1 1 1 15  -10 19 o 39.283  1.8992  210.153   19.629    191.851   29.241    225.165   26.483    37.678  2.9202  40.888  2.4291  -3.209667      3.798442 
1 1 1 15  -10 20 o 139.244 2.9941  2621.53   111.420   2465.51   159.412   2770.54   155.792   135.143 4.4039  143.345 4.0576  -8.202194      5.988231 
1 1 1 15  -10 21 o 98.875  2.3948  1317.99   63.317    1287.89   91.584    1345.56   87.635    97.774  3.4971  99.976  3.2726  -2.201736      4.789526 
1 1 1 15  -10 22 o 96.343  2.3456  1248.59   60.469    1315.56   87.802    1188.16   83.400    98.795  3.3180  93.890  3.3163  4.905357       4.691210 
1 1 1 15  -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -10 24 o 66.514  2.0474  594.675   36.383    624.204   53.837    569.853   49.360    68.018  2.9550  65.009  2.8347  3.009552       4.094874 
1 1 1 15  -10 25 o 35.721  2.0694  179.819   18.826    142.393   28.804    207.731   24.875    32.244  3.3857  39.197  2.3805  -6.953072      4.138797 
1 1 1 15  -10 26 o 32.449  1.9657  140.887   16.744    161.549   26.076    126.391   21.842    34.437  2.8527  30.460  2.7053  3.976377       3.931474 
1 1 1 15  -10 27 o 12.424  2.7246  21.156    9.8042    19.570    16.367    22.043    12.244    12.318  4.1692  12.529  3.5089  -0.2114716     5.449247 
1 1 1 15  -10 28 o 15.181  2.7604  33.962    11.279    26.152    18.249    38.789    14.347    13.803  4.3884  16.559  3.3497  -2.756529      5.520772 
1 1 1 15  -10 29 o 68.051  2.1030  625.500   38.120    708.502   57.566    560.679   50.872    72.023  2.9840  64.079  2.9640  7.944206       4.205905 
1 1 1 15  -10 30 o 53.983  2.0501  393.869   29.280    445.148   45.180    356.733   38.448    56.944  2.9724  51.022  2.8243  5.921730       4.100283 
1 1 1 15  -10 31 f 47.848  2.1062  313.835   26.416    325.563   41.562    305.886   34.216    48.482  3.2189  47.213  2.7171  1.268284       4.212336 
1 1 1 15  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -10 33 o 27.999  2.5773  116.904   17.587    94.570    28.531    130.589   22.334    25.344  4.3601  30.654  2.7494  -5.309238      5.154609 
1 1 1 15  -10 34 o 12.094  3.0712  17.231    12.335    27.637    20.777    11.568    15.329    13.864  4.6974  10.324  3.9576  3.540464       6.142316 
1 1 1 15  -10 35 o 22.990  2.8696  74.846    16.450    96.894    28.082    63.327    20.297    25.339  4.2907  20.640  3.8118  4.698942       5.739300 
1 1 1 15  -10 36 o 27.753  2.8250  116.656   19.152    113.328   32.584    118.413   23.672    26.870  4.6985  28.635  3.1378  -1.764814      5.649922 
1 1 1 15  -10 37 o 31.338  2.6356  145.438   20.697    157.193   35.175    139.213   25.597    31.802  4.2347  30.873  3.1391  0.9296188      5.271294 
1 1 1 15  -10 38 o 21.370  3.2908  73.743    17.616    83.677    29.998    68.514    21.764    21.959  5.1834  20.780  4.0558  1.179199       6.581555 
1 1 1 15  -10 39 o 8.7824  2.7954  -2.8369   12.178    7.1818    23.561    -6.4892   14.226    10.437  4.5332  7.1282  3.2720  3.308444       5.590708 
1 1 1 15  -10 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -10 41 o 13.389  3.1590  32.865    16.064    -2.2415   29.183    48.126    19.241    10.074  4.6468  16.705  4.2807  -6.631370      6.318033 
1 1 1 15  -10 42 o 11.965  3.4376  22.205    15.478    35.318    30.634    17.709    17.936    13.231  5.4209  10.698  4.2289  2.533457       6.875282 
1 1 1 15  -10 43 o 16.501  3.8281  54.619    18.099    90.093    34.112    40.721    21.352    19.008  5.9953  13.994  4.7618  5.014810       7.656283 
1 1 1 15  -9  0  o 30.778  1.5509  127.756   12.680    135.811   17.914    119.669   17.950    31.762  2.1179  29.794  2.2663  1.968719       3.101842 
1 1 1 15  -9  1  o 130.042 2.7231  2270.45   94.848    2254.51   134.248   2286.34   134.022   129.585 3.8678  130.500 3.8342  -0.9144135     5.446214 
1 1 1 15  -9  2  o 87.932  2.1082  1037.05   49.654    1034.53   70.110    1039.58   70.334    87.825  2.9804  88.039  2.9826  -0.2137756     4.216469 
1 1 1 15  -9  3  o 37.219  1.6248  186.693   16.080    172.552   22.765    200.776   22.718    35.798  2.3879  38.640  2.2041  -2.842590      3.249659 
1 1 1 15  -9  4  o 75.694  2.0141  768.524   40.816    764.674   58.533    772.169   56.945    75.508  2.8942  75.881  2.8018  -0.3726044     4.028171 
1 1 1 15  -9  5  o 198.570 3.9070  5309.56   207.795   5303.89   295.097   5315.14   292.650   198.460 5.5514  198.681 5.4993  -0.2205505     7.814085 
1 1 1 15  -9  6  o 348.959 6.6176  16573.22  618.506   16777.94  875.467   16369.22  873.936   351.140 9.3083  346.778 9.4089  4.362885       13.23525 
1 1 1 15  -9  7  o 67.270  1.9049  607.237   34.303    591.224   48.901    622.751   48.131    66.394  2.7498  68.146  2.6369  -1.751213      3.809809 
1 1 1 15  -9  8  o 49.059  1.6589  322.521   21.791    328.567   31.318    316.847   30.340    49.504  2.3619  48.614  2.3301  0.8901825      3.317799 
1 1 1 15  -9  9  o 129.484 2.7414  2252.39   95.077    2264.67   135.035   2240.32   133.891   129.834 3.8830  129.135 3.8709  0.6985931      5.482879 
1 1 1 15  -9  10 o 62.965  1.8530  531.190   31.206    573.278   44.882    491.803   43.418    65.379  2.5629  60.551  2.6770  4.827801       3.706094 
1 1 1 15  -9  11 o 109.715 2.9355  1625.52   82.510    1643.02   102.969   1594.11   137.918   110.609 3.4756  108.821 4.7317  1.787529       5.871025 
1 1 1 15  -9  12 o 153.497 3.8785  3226.35   150.464   3331.23   186.129   3028.57   255.608   157.346 4.4164  149.648 6.3770  7.697128       7.756963 
1 1 1 15  -9  13 o 79.693  3.9600  853.909   84.528    0.0000    0.0000    853.909   84.528    ?       ?       79.693  3.9600  ?              ?        
1 1 1 15  -9  14 o 123.093 2.6635  2035.28   87.784    2100.36   126.130   1974.15   122.251   125.000 3.7672  121.187 3.7663  3.813507       5.326962 
1 1 1 15  -9  15 o 206.403 4.0502  5757.19   223.874   5696.65   318.443   5816.35   314.799   205.310 5.7907  207.496 5.6641  -2.186264      8.100315 
1 1 1 15  -9  16 o 108.414 2.5141  1586.63   72.674    1445.24   104.302   1720.04   101.316   103.676 3.7560  113.151 3.3429  -9.474663      5.028198 
1 1 1 15  -9  17 o 102.953 2.4361  1427.75   67.020    1352.16   96.328    1498.67   93.304    100.291 3.5860  105.615 3.2983  -5.324646      4.872120 
1 1 1 15  -9  18 o 116.499 2.6030  1824.95   81.197    1843.80   116.593   1807.20   113.144   117.078 3.7180  115.920 3.6441  1.157700       5.206007 
1 1 1 15  -9  19 o 96.938  2.3216  1261.31   60.231    1328.71   87.070    1199.46   83.407    99.419  3.2697  94.457  3.2967  4.961914       4.643183 
1 1 1 15  -9  20 o 71.118  2.0709  682.611   39.255    641.657   57.314    718.801   53.877    69.086  3.0973  73.151  2.7498  -4.064789      4.141763 
1 1 1 15  -9  21 o 9.2742  2.1974  -0.0445   8.0780    24.638    13.153    -14.9908  10.236    13.304  3.6025  5.2440  2.5171  8.060320       4.394732 
1 1 1 15  -9  22 o 26.074  2.0906  90.320    14.117    114.249   21.920    73.359    18.454    29.002  2.8590  23.146  3.0510  5.855404       4.181244 
1 1 1 15  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -9  24 o 85.859  2.2488  994.064   51.614    1019.26   75.765    972.247   70.506    86.855  3.2568  84.863  3.1018  1.991959       4.497528 
1 1 1 15  -9  25 o 81.161  2.2038  887.849   47.798    936.177   70.593    846.937   64.951    83.180  3.1685  79.142  3.0640  4.037483       4.407668 
1 1 1 15  -9  26 o 20.340  2.4276  55.568    12.529    75.266    19.811    42.436    16.175    23.333  3.2588  17.348  3.5990  5.984650       4.855194 
1 1 1 15  -9  27 o 80.909  2.2253  886.429   48.084    940.131   71.418    841.903   65.031    83.117  3.2080  78.702  3.0850  4.414848       4.450640 
1 1 1 15  -9  28 o 48.078  2.0468  317.580   25.881    301.570   39.358    329.776   34.352    46.916  3.1503  49.239  2.6140  -2.323502      4.093598 
1 1 1 15  -9  29 o 71.753  2.1826  701.119   41.742    732.431   62.712    676.213   55.931    73.129  3.2017  70.376  2.9671  2.752419       4.365143 
1 1 1 15  -9  30 o 12.790  2.4761  24.067    10.987    -8.6327   18.927    40.688    13.494    8.5959  3.8781  16.983  3.0798  -8.387409      4.952251 
1 1 1 15  -9  31 o 39.485  2.1357  214.987   21.915    217.641   34.877    213.256   28.170    39.560  3.3223  39.410  2.6847  0.1498985      4.271404 
1 1 1 15  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -9  33 o 13.418  3.0661  25.785    12.205    22.695    21.464    27.262    14.838    13.175  4.7523  13.661  3.8757  -0.4857464     6.132285 
1 1 1 15  -9  34 o 10.092  2.8484  8.7856    11.053    11.174    19.223    7.6059    13.511    10.936  4.3605  9.2493  3.6659  1.686360       5.696723 
1 1 1 15  -9  35 o 26.820  2.7573  106.514   18.060    105.434   30.983    107.070   22.226    26.256  4.5717  27.385  3.0838  -1.128595      5.514548 
1 1 1 15  -9  36 o 8.8137  2.7276  0.2974    11.287    1.6363    20.797    -0.2616   13.438    9.7742  4.2523  7.8532  3.4173  1.921064       5.455281 
1 1 1 15  -9  37 o 11.902  3.0694  8.5174    12.471    44.123    24.689    -3.6788   14.450    16.186  5.1000  7.6181  3.4168  8.567854       6.138827 
1 1 1 15  -9  38 o 24.583  3.1843  100.998   18.929    88.918    32.209    107.372   23.396    22.410  5.4243  26.757  3.3370  -4.347103      6.368581 
1 1 1 15  -9  39 o 13.272  3.1484  30.413    14.847    4.6293    27.305    41.237    17.692    10.701  4.7550  15.842  4.1277  -5.141587      6.296700 
1 1 1 15  -9  40 o 14.031  3.0691  37.538    16.324    -21.8414  35.690    53.248    18.357    9.9195  4.7450  18.143  3.8940  -8.223512      6.138292 
1 1 1 15  -9  41 o 25.535  3.3933  116.594   20.646    110.255   36.538    119.568   25.025    23.451  5.8393  27.619  3.4585  -4.168547      6.786687 
1 1 1 15  -9  42 o 7.4677  2.5721  -16.6740  12.418    -8.5962   27.225    -18.7960  13.954    9.1167  4.2971  5.8188  2.8281  3.297829       5.144219 
1 1 1 15  -8  0  o 280.980 5.2699  10662.93  396.572   10858.77  561.390   10467.87  560.286   283.574 7.3911  278.385 7.5141  5.189392       10.53989 
1 1 1 15  -8  1  o 172.361 3.4135  3992.71   157.589   3997.63   222.896   3987.80   222.833   172.467 4.8251  172.254 4.8297  0.2127838      6.826979 
1 1 1 15  -8  2  o 63.831  1.7915  546.700   30.570    588.584   43.381    505.384   43.086    66.264  2.4442  61.398  2.6199  4.865906       3.583034 
1 1 1 15  -8  3  o 78.685  2.0218  829.499   42.589    865.114   61.211    796.078   59.296    80.322  2.8451  77.049  2.8732  3.272430       4.043550 
1 1 1 15  -8  4  o 206.721 4.0505  5753.33   224.269   5743.46   318.346   5763.06   315.997   206.540 5.7545  206.902 5.7020  -0.3621063     8.101066 
1 1 1 15  -8  5  o 270.221 5.1754  9867.38   374.546   9720.32   530.418   10013.63  528.960   268.191 7.3839  272.250 7.2538  -4.059143      10.35081 
1 1 1 15  -8  6  o 74.619  2.0309  747.745   40.525    702.292   57.506    792.589   57.119    72.360  2.9670  76.878  2.7739  -4.518570      4.061762 
1 1 1 15  -8  7  o 81.593  2.0215  892.969   44.176    889.844   62.833    896.024   62.123    81.451  2.8801  81.736  2.8376  -0.2841873     4.043095 
1 1 1 15  -8  8  o 112.382 2.4579  1700.61   73.751    1595.82   106.311   1797.84   102.399   109.021 3.6406  115.742 3.3031  -6.720940      4.915729 
1 1 1 15  -8  9  o 158.076 3.1689  3359.17   134.143   3398.88   192.142   3321.40   187.361   158.983 4.5121  157.169 4.4507  1.813904       6.337799 
1 1 1 15  -8  10 o 215.799 4.1640  6283.45   240.636   6225.06   342.779   6340.19   337.895   214.791 5.9581  216.806 5.8186  -2.014496      8.327998 
1 1 1 15  -8  11 o 42.260  1.6822  237.736   18.524    316.209   27.705    174.288   24.911    48.567  2.1297  35.954  2.6045  12.61276       3.364359 
1 1 1 15  -8  12 o 52.989  1.8008  380.608   25.260    339.872   36.955    416.334   34.608    50.257  2.7558  55.721  2.3188  -5.464260      3.601591 
1 1 1 15  -8  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -8  14 o 38.758  1.7760  203.567   18.209    188.807   26.718    216.370   24.883    37.417  2.6837  40.100  2.3267  -2.682514      3.551915 
1 1 1 15  -8  15 o 8.7225  2.1736  7.2822    7.1808    -4.2576   11.221    15.287    9.3451    6.8630  3.0490  10.582  3.0986  -3.719025      4.347142 
1 1 1 15  -8  16 o 110.370 2.5021  1635.78   73.938    1692.98   106.232   1582.03   102.973   112.241 3.5336  108.499 3.5433  3.741318       5.004113 
1 1 1 15  -8  17 o 120.098 2.6954  1944.22   86.504    1832.80   124.038   2049.73   120.699   116.719 3.9676  123.477 3.6495  -6.757393      5.390773 
1 1 1 15  -8  18 o 80.387  2.1158  864.817   45.427    961.981   66.238    778.532   62.419    84.640  2.9217  76.134  3.0609  8.506729       4.231533 
1 1 1 15  -8  19 f 112.088 2.5506  1688.69   76.539    1734.98   110.399   1645.85   106.207   113.563 3.6295  110.613 3.5847  2.949448       5.101300 
1 1 1 15  -8  20 o 102.276 2.4374  1406.39   66.719    1432.30   96.629    1382.78   92.233    103.168 3.4968  101.383 3.3965  1.785667       4.874846 
1 1 1 15  -8  21 o 83.152  2.1934  927.925   48.783    972.020   71.335    889.187   66.862    85.000  3.1332  81.305  3.0703  3.694984       4.386763 
1 1 1 15  -8  22 o 10.121  2.5922  7.9501    9.4138    20.555    15.108    -0.0495   12.036    12.480  3.9957  7.7625  3.3035  4.717476       5.184467 
1 1 1 15  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -8  24 o 48.733  2.0537  329.045   25.998    269.993   38.962    376.443   34.906    44.582  3.2860  52.884  2.4643  -8.302021      4.107337 
1 1 1 15  -8  25 o 48.515  1.9675  318.317   25.270    322.386   38.224    315.157   33.681    48.760  2.9405  48.271  2.6148  0.4890785      3.934916 
1 1 1 15  -8  26 o 32.082  2.0119  138.499   16.935    152.880   26.310    128.326   22.129    33.471  2.9653  30.692  2.7200  2.779245       4.023852 
1 1 1 15  -8  27 o 41.097  1.9973  227.085   21.661    252.501   33.434    208.701   28.436    43.039  2.9175  39.155  2.7284  3.883286       3.994515 
1 1 1 15  -8  28 o 55.103  2.0702  413.237   30.221    418.594   45.952    409.154   40.118    55.319  3.1139  54.888  2.7288  0.4311829      4.140392 
1 1 1 15  -8  29 o 72.352  2.2232  716.245   42.777    717.333   64.434    715.388   57.201    72.308  3.3269  72.395  2.9499  -0.8681488E-01 4.446375 
1 1 1 15  -8  30 o 42.417  2.1582  250.164   23.809    235.014   37.082    260.790   31.055    41.171  3.3928  43.662  2.6683  -2.490360      4.316367 
1 1 1 15  -8  31 o 8.1080  2.4530  0.0772    9.5297    -9.2116   16.240    4.9554    11.769    7.7717  3.5402  8.4444  3.3963  -0.6726618     4.905942 
1 1 1 15  -8  32 o 13.020  4.2085  23.735    16.730    0.0000    0.0000    23.735    16.730    ?       ?       13.020  4.2085  ?              ?        
1 1 1 15  -8  33 o 50.881  2.2348  363.307   29.632    354.967   46.661    368.943   38.361    50.150  3.4956  51.612  2.7852  -1.461868      4.469507 
1 1 1 15  -8  34 o 9.3969  2.7614  4.8814    10.805    6.6966    19.111    4.0286    13.100    10.267  4.2518  8.5264  3.5247  1.740984       5.522785 
1 1 1 15  -8  35 o 32.737  2.5515  157.976   20.866    147.660   34.439    163.958   26.227    31.425  4.1964  34.048  2.9036  -2.623377      5.103021 
1 1 1 15  -8  36 o 27.337  2.7405  109.251   18.594    122.180   31.989    102.654   22.851    28.142  4.3869  26.533  3.2857  1.609312       5.480937 
1 1 1 15  -8  37 o 23.882  3.2392  97.737    18.341    74.404    32.302    108.838   22.280    20.484  5.6861  27.279  3.1046  -6.794859      6.478422 
1 1 1 15  -8  38 o 15.042  3.3944  37.982    14.929    37.610    26.553    38.154    18.052    14.796  5.2913  15.289  4.2531  -0.4931660     6.788750 
1 1 1 15  -8  39 f 5.8697  2.9352  -45.9515  19.246    -45.9515  19.246    0.0000    0.0000    5.8697  2.9352  ?       ?       ?              ?        
1 1 1 15  -8  40 o 12.714  3.3999  25.247    14.847    30.391    27.565    23.145    17.621    13.398  5.2596  12.031  4.3096  1.367072       6.799724 
1 1 1 15  -8  41 o 14.658  3.6403  36.098    16.188    57.644    31.043    28.050    18.972    16.592  5.7384  12.723  4.4809  3.868684       7.280641 
1 1 1 15  -8  42 o 26.452  3.3319  119.749   21.125    154.287   39.022    105.431   25.124    27.853  5.4256  25.052  3.8688  2.800417       6.663742 
1 1 1 15  -7  0  o 258.622 4.8637  9018.96   336.734   9372.13   476.732   8667.33   475.697   263.707 6.7494  253.537 7.0049  10.17081       9.727406 
1 1 1 15  -7  1  o 191.289 3.7568  4920.48   192.453   4828.84   272.679   5011.43   271.663   189.505 5.3721  193.072 5.2532  -3.566452      7.513650 
1 1 1 15  -7  2  o 140.677 3.6121  2686.31   128.497   2742.05   158.487   2579.36   219.518   142.917 4.1402  138.438 5.9201  4.478912       7.224164 
1 1 1 15  -7  3  o 152.760 3.8304  3149.27   148.407   3172.57   182.961   3104.45   253.753   153.694 4.4444  151.825 6.2399  1.868973       7.660886 
1 1 1 15  -7  4  o 107.957 3.0340  1594.62   82.797    1659.96   102.660   1473.02   140.049   111.233 3.4457  104.680 4.9949  6.552933       6.068096 
1 1 1 15  -7  5  o 208.337 4.0747  5845.88   227.270   5699.23   323.518   5988.77   319.338   205.735 5.8708  210.938 5.6521  -5.202820      8.149395 
1 1 1 15  -7  6  o 196.275 3.8087  5183.39   200.092   5447.48   285.069   4926.93   280.923   201.219 5.2892  191.331 5.4817  9.887878       7.617397 
1 1 1 15  -7  7  o 211.817 4.0663  6042.77   230.689   6098.26   328.411   5988.72   324.120   212.775 5.7625  210.860 5.7388  1.914658       8.132655 
1 1 1 15  -7  8  o 180.313 3.5230  4372.72   170.115   4488.85   242.925   4260.98   238.301   182.664 4.9651  177.962 4.9993  4.702255       7.045963 
1 1 1 15  -7  9  o 67.027  1.8676  603.715   33.412    585.852   48.916    619.339   45.748    66.091  2.7632  67.962  2.5131  -1.871323      3.735136 
1 1 1 15  -7  10 f 201.882 3.9781  5500.93   214.789   5193.36   305.284   5802.43   302.253   196.243 5.8079  207.520 5.4378  -11.27673      7.956215 
1 1 1 15  -7  11 o 78.528  2.0565  830.648   43.084    768.623   62.080    888.283   59.843    75.681  3.0625  81.375  2.7456  -5.694244      4.113029 
1 1 1 15  -7  12 o 31.731  1.7458  138.495   14.407    113.102   21.090    160.712   19.728    28.905  2.7576  34.557  2.1419  -5.652281      3.491694 
1 1 1 15  -7  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -7  14 o 83.514  2.1417  936.450   47.868    930.279   68.993    942.177   66.470    83.244  3.0943  83.783  2.9619  -0.5390549     4.283418 
1 1 1 15  -7  15 o 79.770  2.1172  854.718   45.178    842.789   65.309    865.664   62.562    79.231  3.0775  80.309  2.9084  -1.078613      4.234336 
1 1 1 15  -7  16 o 128.591 2.7926  2223.85   96.150    2224.78   137.845   2222.97   134.182   128.610 4.0015  128.572 3.8964  0.3799438E-01  5.585141 
1 1 1 15  -7  17 o 82.253  2.1710  907.336   47.786    934.385   69.426    882.984   65.873    83.414  3.1074  81.092  3.0328  2.321526       4.342045 
1 1 1 15  -7  18 o 151.945 3.1772  3112.88   129.221   3045.69   184.815   3177.15   180.745   150.319 4.5902  153.570 4.3941  -3.250916      6.354407 
1 1 1 15  -7  19 f 51.444  1.9086  353.392   26.156    391.608   38.869    321.763   35.361    54.009  2.6869  48.880  2.7115  5.128464       3.817274 
1 1 1 15  -7  20 o 86.903  2.2336  1012.01   51.891    1102.11   75.703    932.162   71.266    90.543  3.1215  83.263  3.1955  7.280907       4.467159 
1 1 1 15  -7  21 o 86.208  2.2647  1001.07   52.164    984.539   76.142    1015.69   71.610    85.520  3.3240  86.895  3.0767  -1.374374      4.529406 
1 1 1 15  -7  22 o 57.293  2.1119  452.596   31.560    366.300   46.537    526.082   42.944    52.026  3.3575  62.559  2.5629  -10.53282      4.223873 
1 1 1 15  -7  23 o 65.066  3.8504  574.709   66.805    0.0000    0.0000    574.709   66.805    ?       ?       65.066  3.8504  ?              ?        
1 1 1 15  -7  24 o 17.485  2.6140  46.928    11.833    24.972    18.626    61.784    15.321    13.733  4.4408  21.236  2.7588  -7.502556      5.227942 
1 1 1 15  -7  25 o 70.832  2.1539  679.415   40.636    669.050   60.487    687.941   54.861    70.300  3.2123  71.363  2.8701  -1.062805      4.307730 
1 1 1 15  -7  26 o 20.486  2.3952  58.879    12.399    56.447    19.545    60.517    16.040    20.031  3.7816  20.942  2.9405  -0.9112167     4.790313 
1 1 1 15  -7  27 o 16.742  2.5432  36.522    11.015    59.164    18.140    23.296    13.864    20.569  3.4122  12.915  3.7720  7.654293       5.086353 
1 1 1 15  -7  28 o 5.6756  1.8408  -7.6908   6.6328    -20.0568  11.342    -1.2630   8.1769    5.2081  2.5354  6.1431  2.6694  -0.9349928     3.681609 
1 1 1 15  -7  29 f 45.560  2.0696  282.611   24.834    295.787   38.473    273.199   32.514    46.402  3.1135  44.719  2.7276  1.682564       4.139282 
1 1 1 15  -7  30 o 70.422  2.2906  689.078   42.499    636.269   64.196    730.278   56.703    67.772  3.5488  73.072  2.8971  -5.300255      4.581193 
1 1 1 15  -7  31 o 22.972  4.1796  76.246    24.770    76.246    24.770    0.0000    0.0000    22.972  4.1796  ?       ?       ?              ?        
1 1 1 15  -7  32 o 14.932  3.1294  29.580    12.877    43.724    22.594    22.775    15.671    17.128  4.7559  12.736  4.0686  4.391815       6.258783 
1 1 1 15  -7  33 o 12.097  2.9466  13.994    11.144    34.808    20.948    5.7795    13.160    15.310  4.6774  8.8830  3.5849  6.427264       5.893137 
1 1 1 15  -7  34 o 29.073  2.5528  120.301   18.454    127.476   31.678    116.616   22.705    29.409  4.1358  28.738  2.9937  0.6709957      5.105577 
1 1 1 15  -7  35 o 25.306  2.7870  90.200    17.451    113.319   30.622    79.081    21.236    27.367  4.3209  23.245  3.5211  4.122105       5.573913 
1 1 1 15  -7  36 o 14.707  3.2448  35.067    13.963    26.036    26.139    38.673    16.518    13.569  5.1759  15.846  3.9146  -2.276669      6.489574 
1 1 1 15  -7  37 o 31.047  2.7525  146.579   21.048    148.407   36.015    145.630   25.938    30.522  4.5440  31.572  3.1075  -1.050274      5.504944 
1 1 1 15  -7  38 o 27.165  2.8505  110.545   19.278    135.173   33.338    98.174    23.629    28.951  4.4409  25.380  3.5749  3.571110       5.701027 
1 1 1 15  -7  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -7  40 o 12.085  3.3478  16.108    13.935    41.024    28.496    8.2769    15.975    14.814  5.4553  9.3568  3.8821  5.457165       6.695575 
1 1 1 15  -7  41 o 25.552  3.4123  113.089   20.762    126.025   37.953    107.564   24.802    25.215  5.7474  25.889  3.6802  -0.6745949     6.824684 
1 1 1 15  -7  42 o 18.628  3.6973  75.210    19.320    65.867    36.422    78.868    22.790    16.050  6.1129  21.206  4.1610  -5.155294      7.394684 
1 1 1 15  -6  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -6  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -6  5  o 280.823 6.4866  10579.56  462.956   10338.29  568.034   11056.87  798.969   276.631 7.6663  285.016 10.466  -8.385254      12.97321 
1 1 1 15  -6  6  o 180.669 3.5207  4387.95   170.361   4445.99   242.782   4331.65   239.114   181.845 4.9845  179.493 4.9736  2.351883       7.041451 
1 1 1 15  -6  7  o 201.085 3.9020  5452.66   209.738   5098.79   298.369   5798.33   294.892   194.585 5.7248  207.585 5.3037  -13.00015      7.803968 
1 1 1 15  -6  8  o 224.505 4.3066  6794.30   258.937   6950.12   368.071   6641.62   364.343   227.063 6.0520  221.947 6.1287  5.115051       8.613235 
1 1 1 15  -6  9  o 191.826 3.7747  4954.35   193.936   5005.51   275.567   4904.14   272.983   192.807 5.3360  190.844 5.3403  1.963226       7.549300 
1 1 1 15  -6  10 o 123.280 2.7010  2047.06   88.900    1874.82   126.543   2214.92   124.921   118.128 3.9994  128.432 3.6314  -10.30437      5.402051 
1 1 1 15  -6  11 o 112.985 2.5174  1713.51   76.145    1793.75   108.827   1636.55   106.577   115.579 3.5154  110.391 3.6045  5.187943       5.034863 
1 1 1 15  -6  12 o 73.264  2.0104  720.694   39.404    707.819   56.834    732.611   54.680    72.630  2.9215  73.898  2.7625  -1.268486      4.020783 
1 1 1 15  -6  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -6  14 o 113.454 2.5657  1728.74   77.945    1758.98   111.856   1700.19   108.675   114.416 3.6499  112.492 3.6068  1.923935       5.131342 
1 1 1 15  -6  15 o 82.286  2.1842  911.271   48.012    867.130   69.361    951.876   66.526    80.359  3.2225  84.212  2.9493  -3.853462      4.368433 
1 1 1 15  -6  16 o 264.335 5.0462  9486.22   356.965   9996.94   507.349   8985.54   502.337   271.459 6.9777  257.210 7.2915  14.24948       10.09232 
1 1 1 15  -6  17 o 119.265 2.6865  1913.12   85.764    1900.12   123.326   1925.31   119.350   118.863 3.8736  119.667 3.7235  -0.8044052     5.373072 
1 1 1 15  -6  18 o 168.078 3.4213  3808.47   153.955   3971.65   220.220   3652.48   215.314   171.609 4.7910  164.546 4.8853  7.062622       6.842529 
1 1 1 15  -6  19 o 76.895  2.1542  796.534   44.199    765.484   64.637    823.804   60.574    75.471  3.1975  78.319  2.8876  -2.847343      4.308366 
1 1 1 15  -6  20 o 118.811 2.6874  1899.98   85.465    1934.61   123.568   1868.22   118.334   119.839 3.8496  117.782 3.7509  2.056976       5.374863 
1 1 1 15  -6  21 o 62.702  2.0518  530.473   34.243    510.481   50.814    547.105   46.347    61.600  3.0797  63.804  2.7120  -2.203667      4.103585 
1 1 1 15  -6  22 o 138.864 6.2682  2641.19   233.143   2641.19   233.143   0.0000    0.0000    138.864 6.2682  ?       ?       ?              ?        
1 1 1 15  -6  23 o 76.812  2.1658  789.650   44.385    889.376   65.857    706.653   60.080    81.229  3.0269  72.395  3.0984  8.834656       4.331500 
1 1 1 15  -6  24 o 54.217  2.0386  399.177   29.235    381.307   43.986    413.317   39.128    53.047  3.1093  55.386  2.6376  -2.338737      4.077291 
1 1 1 15  -6  25 o 77.295  2.2371  810.838   46.038    788.862   68.439    829.001   62.219    76.286  3.3494  78.304  2.9665  -2.018211      4.474229 
1 1 1 15  -6  26 o 42.488  2.0263  245.492   22.622    245.617   34.905    245.402   29.705    42.444  3.0915  42.531  2.6203  -0.8725357E-01 4.052617 
1 1 1 15  -6  27 o 25.853  2.3062  94.685    14.986    82.667    23.690    102.703   19.349    24.299  3.7613  27.407  2.6697  -3.107944      4.612488 
1 1 1 15  -6  28 o 50.076  2.0980  343.784   27.605    336.097   42.523    349.383   36.293    49.498  3.2250  50.654  2.6845  -1.155910      4.196095 
1 1 1 15  -6  29 o 35.250  2.2230  174.741   20.086    155.339   31.504    188.029   26.072    33.408  3.5763  37.092  2.6416  -3.683475      4.446067 
1 1 1 15  -6  30 f 34.350  2.2222  162.676   19.635    165.750   31.843    160.791   24.941    34.484  3.4959  34.217  2.7444  0.2665138      4.444429 
1 1 1 15  -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -6  32 o 21.153  2.8313  66.357    14.700    60.418    24.880    69.542    18.221    20.104  4.7040  22.203  3.1525  -2.098982      5.662633 
1 1 1 15  -6  33 o 43.708  2.2604  264.598   25.644    284.886   41.598    252.161   32.570    44.855  3.4898  42.561  2.8739  2.294289       4.520844 
1 1 1 15  -6  34 o 14.719  3.1780  28.316    13.008    47.161    23.729    20.220    15.553    17.421  4.8869  12.018  4.0642  5.402995       6.356093 
1 1 1 15  -6  35 o 12.814  3.1924  23.766    13.586    15.702    23.838    27.646    16.534    12.095  4.8445  13.533  4.1589  -1.437938      6.384785 
1 1 1 15  -6  36 o 15.730  3.4220  38.543    14.796    43.446    27.844    36.614    17.466    16.166  5.4380  15.294  4.1555  0.8725100      6.843997 
1 1 1 15  -6  37 o 12.854  3.3110  22.048    13.528    35.149    25.836    17.100    15.879    14.618  5.2203  11.090  4.0741  3.527910       6.621974 
1 1 1 15  -6  38 o 18.274  3.4413  51.469    16.267    77.181    29.398    40.122    19.530    20.992  5.2438  15.556  4.4578  5.436373       6.882604 
1 1 1 15  -6  39 o 8.5823  2.6952  -0.7492   12.470    -30.8692  26.368    7.9278    14.152    8.0937  3.9230  9.0708  3.6968  -0.9770832     5.390334 
1 1 1 15  -6  40 o 26.154  3.5319  122.216   21.696    113.843   39.491    125.836   25.966    23.782  6.1528  28.526  3.4699  -4.744246      7.063741 
1 1 1 15  -6  41 o 11.500  3.2912  20.645    15.671    6.1999    31.347    25.458    18.094    10.823  4.9256  12.178  4.3666  -1.355249      6.582446 
1 1 1 15  -5  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -5  5  o 156.464 4.4380  3287.93   185.989   3287.93   185.989   0.0000    0.0000    156.464 4.4380  ?       ?       ?              ?        
1 1 1 15  -5  6  o 188.431 3.6764  4774.59   185.537   4804.39   264.266   4745.62   260.550   189.008 5.2200  187.855 5.1782  1.153305       7.352738 
1 1 1 15  -5  7  o 74.899  1.9606  751.652   39.317    775.573   56.547    729.263   54.705    76.051  2.7759  73.746  2.7695  2.305237       3.921210 
1 1 1 15  -5  8  o 227.403 4.3933  6975.14   267.358   7339.07   379.221   6615.48   376.991   233.339 6.0676  221.468 6.3552  11.87061       8.786619 
1 1 1 15  -5  9  o 79.345  2.0534  843.812   43.592    900.697   62.538    790.051   60.797    81.946  2.8492  76.744  2.9577  5.202728       4.106799 
1 1 1 15  -5  10 o 113.549 2.5578  1732.71   77.726    1677.56   111.006   1785.75   108.867   111.768 3.7080  115.331 3.5242  -3.562798      5.115591 
1 1 1 15  -5  11 o 134.859 2.8824  2444.86   104.081   2410.70   148.448   2477.90   145.970   133.924 4.1383  135.793 4.0132  -1.868439      5.764722 
1 1 1 15  -5  12 o 167.874 4.8907  3818.97   219.525   3567.05   310.798   4069.77   310.113   162.282 7.1502  173.466 6.6745  -11.18413      9.781317 
1 1 1 15  -5  13 o 101.291 2.4231  1381.60   65.559    1296.05   94.173    1462.05   91.322    98.227  3.5794  104.354 3.2672  -6.127029      4.846278 
1 1 1 15  -5  14 o 316.914 6.0100  13688.04  510.082   14007.11  723.550   13372.79  719.200   320.634 8.4250  313.195 8.5732  7.438843       12.02004 
1 1 1 15  -5  15 o 132.593 2.8692  2364.14   101.869   2373.02   146.001   2355.71   142.205   132.830 4.1037  132.357 4.0112  0.4729614      5.738473 
1 1 1 15  -5  16 o 171.998 3.4733  3986.23   159.747   4302.42   228.446   3683.68   223.467   178.701 4.7727  165.294 5.0474  13.40674       6.946601 
1 1 1 15  -5  17 o 42.472  1.9299  245.710   21.546    222.909   32.230    264.135   28.972    40.639  2.9818  44.306  2.4509  -3.667038      3.859741 
1 1 1 15  -5  18 o 89.573  2.2783  1076.93   54.593    1097.23   79.481    1058.79   75.117    90.366  3.2837  88.779  3.1589  1.586250       4.556503 
1 1 1 15  -5  19 o 21.069  2.4809  67.151    12.612    37.807    19.214    89.364    16.718    16.451  4.3092  25.688  2.4598  -9.236969      4.961864 
1 1 1 15  -5  20 f 156.291 3.2599  3297.50   136.422   3389.73   195.882   3210.64   190.106   158.410 4.6166  154.172 4.6036  4.237732       6.519714 
1 1 1 15  -5  21 f 138.088 3.0530  2584.03   112.610   2437.00   162.081   2721.23   156.571   134.224 4.5083  141.952 4.1179  -7.728149      6.105909 
1 1 1 15  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -5  23 o 62.281  2.0493  519.727   34.042    553.854   51.061    492.422   45.672    64.100  2.9740  60.461  2.8203  3.639740       4.098615 
1 1 1 15  -5  24 o 79.726  2.2738  863.453   48.225    816.653   71.302    902.913   65.472    77.674  3.4272  81.777  2.9891  -4.102913      4.547524 
1 1 1 15  -5  25 o 75.798  2.2022  775.720   44.529    801.563   66.464    754.674   59.980    76.910  3.2264  74.686  2.9983  2.223732       4.404490 
1 1 1 15  -5  26 o 14.059  2.6492  24.869    10.031    40.606    17.154    16.691    12.366    16.909  3.8710  11.208  3.6177  5.701148       5.298369 
1 1 1 15  -5  27 o 12.475  2.7896  20.661    10.022    22.579    17.344    19.699    12.280    13.025  4.2896  11.925  3.5674  1.099766       5.579107 
1 1 1 15  -5  28 o 10.457  2.6200  7.7438    9.3101    25.370    16.605    -0.3371   11.244    13.512  4.1705  7.4017  3.1725  6.109891       5.240008 
1 1 1 15  -5  29 o 28.685  2.4636  120.674   17.312    91.789    27.332    140.027   22.372    25.391  4.1632  31.980  2.6352  -6.588886      4.927144 
1 1 1 15  -5  30 o 54.164  2.1711  403.052   30.941    408.520   47.958    399.153   40.496    54.361  3.3094  53.967  2.8112  0.3944321      4.342262 
1 1 1 15  -5  31 o 16.245  3.6324  38.117    15.409    0.0000    0.0000    38.117    15.409    ?       ?       16.245  3.6324  ?              ?        
1 1 1 15  -5  32 o 13.005  2.9657  24.272    11.661    17.794    20.274    27.476    14.256    12.268  4.5852  13.741  3.7628  -1.472883      5.931496 
1 1 1 15  -5  33 f 14.656  2.9785  33.820    12.951    16.329    22.375    42.633    15.883    12.233  4.7565  17.079  3.5862  -4.845335      5.956957 
1 1 1 15  -5  34 o 42.118  2.3639  250.502   25.562    263.244   42.205    243.121   32.123    42.645  3.7325  41.591  2.9018  1.053822       4.727759 
1 1 1 15  -5  35 o 18.745  3.1931  56.036    15.267    50.669    26.636    58.661    18.631    17.634  5.2492  19.856  3.6372  -2.221939      6.386173 
1 1 1 15  -5  36 o 12.374  3.2405  18.048    13.128    33.506    24.909    12.103    15.448    14.540  5.1328  10.208  3.9568  4.332021       6.480924 
1 1 1 15  -5  37 o 19.946  3.3787  62.097    16.904    79.306    30.072    54.147    20.440    21.484  5.2665  18.408  4.2337  3.075808       6.757304 
1 1 1 15  -5  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -5  39 o 23.363  3.3823  85.854    19.071    113.067   35.314    74.650    22.660    25.159  5.4017  21.566  4.0721  3.593735       6.764657 
1 1 1 15  -5  40 o 13.947  3.2663  36.822    16.802    -2.4969   33.845    49.682    19.355    10.740  4.9718  17.154  4.2374  -6.413602      6.532576 
1 1 1 15  -5  41 o 9.7196  3.0234  -11.8558  13.392    37.705    28.402    -26.0253  15.187    13.725  5.3528  5.7143  2.8130  8.010582       6.046901 
1 1 1 15  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -4  5  o 117.779 3.0706  1852.66   92.759    1828.20   115.226   1897.68   156.358   116.725 3.6855  118.833 4.9124  -2.108185      6.141247 
1 1 1 15  -4  6  o 115.011 2.5451  1776.58   78.329    1701.60   111.390   1849.93   110.167   112.602 3.6932  117.420 3.5029  -4.817467      5.090196 
1 1 1 15  -4  7  o 56.639  1.8111  431.937   27.357    395.664   39.327    465.946   38.080    54.322  2.7029  58.956  2.4114  -4.634644      3.622267 
1 1 1 15  -4  8  o 157.714 3.2269  3343.32   136.308   3346.06   193.844   3340.64   191.710   157.775 4.5870  157.653 4.5400  0.1218719      6.453807 
1 1 1 15  -4  9  o 62.948  1.8914  531.273   31.868    534.109   46.005    528.656   44.186    63.108  2.7216  62.788  2.6274  0.3200493      3.782880 
1 1 1 15  -4  10 o 87.147  2.1749  1017.86   50.622    1128.05   72.943    915.476   70.310    91.697  2.9699  82.596  3.1781  9.100891       4.349777 
1 1 1 15  -4  11 o 79.861  2.1295  859.552   45.349    790.852   65.387    923.225   62.950    76.764  3.1801  82.958  2.8330  -6.194046      4.258995 
1 1 1 15  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -4  13 o 175.806 3.5433  4162.62   166.835   4233.81   237.856   4093.68   234.071   177.286 5.0090  174.326 5.0130  2.959381       7.086622 
1 1 1 15  -4  14 o 241.581 4.7057  7902.50   304.387   7723.55   432.412   8078.27   428.551   238.828 6.7596  244.333 6.5483  -5.505112      9.411333 
1 1 1 15  -4  15 o 109.370 2.5481  1607.53   74.586    1598.23   107.483   1616.18   103.585   109.057 3.6796  109.683 3.5259  -0.6258240     5.096200 
1 1 1 15  -4  16 o 80.403  2.2511  877.076   47.972    763.224   69.691    979.605   66.135    75.374  3.4520  85.432  2.8901  -10.05849      4.502117 
1 1 1 15  -4  17 o 36.642  1.9039  178.524   18.400    212.450   27.880    152.342   24.492    39.703  2.6367  33.580  2.7471  6.123081       3.807705 
1 1 1 15  -4  18 o 149.426 3.1879  3014.68   127.356   2868.99   182.582   3152.74   177.735   145.869 4.6731  152.984 4.3375  -7.114807      6.375866 
1 1 1 15  -4  19 o 18.921  2.4303  49.415    11.672    50.665    18.380    48.570    15.111    19.078  3.7305  18.764  3.1159  0.3138752      4.860606 
1 1 1 15  -4  20 f 92.061  2.3341  1137.65   57.470    1187.94   84.126    1093.64   78.696    93.959  3.3427  90.163  3.2586  3.796181       4.668247 
1 1 1 15  -4  21 o 114.077 3.3044  1775.24   95.692    1803.69   118.403   1721.66   162.488   115.615 3.8235  112.539 5.3905  3.076241       6.608830 
1 1 1 15  -4  22 o 89.237  2.8081  1056.94   62.378    1137.48   112.398   1021.10   74.985    91.440  4.6039  87.035  3.2166  4.405197       5.616270 
1 1 1 15  -4  23 o 64.474  2.1245  563.525   36.329    541.818   54.297    581.119   48.883    63.273  3.2144  65.675  2.7789  -2.402912      4.249062 
1 1 1 15  -4  24 o 50.657  1.9971  343.478   26.818    382.776   40.840    313.686   35.559    53.173  2.8782  48.141  2.7694  5.032333       3.994211 
1 1 1 15  -4  25 o 39.360  2.0081  208.631   20.790    222.925   32.313    198.535   27.158    40.472  3.0022  38.248  2.6676  2.223808       4.016161 
1 1 1 15  -4  26 o 56.696  2.0555  431.203   30.944    481.901   47.294    393.253   40.918    59.600  2.9626  53.793  2.8501  5.806793       4.110959 
1 1 1 15  -4  27 o 37.216  2.1026  190.467   20.400    184.305   31.707    194.820   26.647    36.615  3.2673  37.817  2.6474  -1.202057      4.205280 
1 1 1 15  -4  28 o 29.851  2.3741  128.202   17.652    104.740   27.989    143.696   22.745    27.280  3.9451  32.422  2.6422  -5.141899      4.748181 
1 1 1 15  -4  29 o 48.340  2.2095  326.056   27.734    296.736   43.114    346.753   36.223    46.290  3.5032  50.389  2.6936  -4.099403      4.419057 
1 1 1 15  -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -4  31 o 23.721  2.7381  81.590    15.842    77.558    26.989    83.710    19.568    22.975  4.5466  24.466  3.0525  -1.490871      5.476256 
1 1 1 15  -4  32 o 16.412  2.9977  33.637    13.035    62.955    23.497    20.605    15.666    20.593  4.3938  12.231  4.0790  8.362337       5.995365 
1 1 1 15  -4  33 o 10.419  2.9740  6.1068    11.588    18.746    22.540    1.5660    13.510    12.583  4.8048  8.2548  3.5062  4.327730       5.948049 
1 1 1 15  -4  34 o 15.502  3.3078  35.856    14.161    40.266    25.201    33.821    17.119    16.070  5.1622  14.934  4.1373  1.136374       6.615537 
1 1 1 15  -4  35 f 9.4056  2.8459  3.5740    12.058    2.7099    21.440    3.9737    14.582    10.041  4.3428  8.7703  3.6793  1.270568       5.691845 
1 1 1 15  -4  36 o 12.270  3.2064  21.623    13.668    14.212    25.158    24.727    16.281    11.821  4.8853  12.719  4.1544  -0.8978949     6.412894 
1 1 1 15  -4  37 o 21.786  3.3500  87.035    18.453    53.888    32.322    103.061   22.475    17.199  5.8587  26.373  3.2504  -9.174698      6.699969 
1 1 1 15  -4  38 o 6.8973  2.3829  -18.1934  11.429    -42.3071  27.170    -13.0097  12.597    7.7464  3.8032  6.0481  2.8721  1.698327       4.765868 
1 1 1 15  -4  39 o 11.025  3.2229  9.9269    13.876    28.503    27.207    3.3964    16.131    13.290  5.2227  8.7601  3.7779  4.529769       6.445899 
1 1 1 15  -4  40 o 10.447  3.1819  5.6325    13.771    27.560    28.751    -0.8964   15.688    12.876  5.2607  8.0190  3.5810  4.856922       6.363873 
1 1 1 15  -4  41 o 8.8777  2.7679  1.2438    14.134    -39.2583  28.680    14.236    16.244    7.7497  3.8246  10.006  4.0022  -2.256141      5.535758 
1 1 1 15  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -3  4  o 85.590  3.1929  1013.76   70.329    1287.11   98.082    724.480   100.898   97.942  3.7388  73.237  5.1769  24.70494       6.385793 
1 1 1 15  -3  5  o 166.536 3.3776  3726.79   150.642   3697.50   214.263   3755.41   211.839   165.883 4.8223  167.188 4.7306  -1.304352      6.755200 
1 1 1 15  -3  6  o 219.117 4.2484  6465.35   249.290   6646.33   354.148   6287.60   350.974   222.168 5.9513  216.067 6.0645  6.101349       8.496873 
1 1 1 15  -3  7  o 131.615 2.8049  2325.10   98.853    2400.68   141.152   2252.34   138.485   133.716 3.9411  129.514 3.9920  4.201355       5.609700 
1 1 1 15  -3  8  o 226.496 4.4172  6921.38   267.812   6675.31   380.034   7164.13   377.467   222.462 6.3779  230.530 6.1131  -8.067902      8.834451 
1 1 1 15  -3  9  o 90.445  2.2253  1096.85   53.886    1121.47   77.605    1073.93   74.880    91.423  3.1692  89.467  3.1248  1.956528       4.450578 
1 1 1 15  -3  10 o 167.134 3.4128  3759.65   152.720   3690.02   217.605   3827.24   214.388   165.596 4.9060  168.673 4.7453  -3.076752      6.825503 
1 1 1 15  -3  11 f 63.540  2.8185  544.059   47.700    562.054   68.842    527.443   66.153    64.551  4.0013  62.528  3.9705  2.023361       5.636979 
1 1 1 15  -3  12 o 157.439 3.2538  3335.22   137.186   3331.93   195.961   3338.38   192.116   157.356 4.6494  157.523 4.5533  -0.1675720     6.507688 
1 1 1 15  -3  13 o 70.790  2.0377  672.636   38.563    668.762   56.210    676.080   53.004    70.593  2.9728  70.987  2.7877  -0.3939285     4.075375 
1 1 1 15  -3  14 o 113.600 2.5936  1732.88   78.876    1763.39   113.730   1704.60   109.485   114.559 3.7065  112.641 3.6289  1.918098       5.187144 
1 1 1 15  -3  15 o 62.935  2.0029  528.066   33.369    641.205   49.422    433.281   45.236    69.133  2.6690  56.738  2.9872  12.39463       4.005835 
1 1 1 15  -3  16 o 91.236  2.2958  1115.59   56.043    1168.69   81.593    1068.18   77.110    93.285  3.2655  89.186  3.2279  4.098770       4.591644 
1 1 1 15  -3  17 o 175.012 3.6232  4140.70   169.509   3907.50   242.277   4364.32   237.246   170.126 5.3168  179.898 4.9236  -9.772568      7.246415 
1 1 1 15  -3  18 o 44.026  1.9186  258.553   22.389    287.086   33.911    236.504   29.810    46.161  2.7552  41.891  2.6707  4.270676       3.837161 
1 1 1 15  -3  19 o 144.313 3.1049  2810.76   119.904   2769.91   172.620   2848.85   166.675   143.274 4.4982  145.352 4.2811  -2.078644      6.209799 
1 1 1 15  -3  20 o 106.625 2.5402  1529.01   72.462    1580.93   105.621   1482.83   99.597    108.325 3.6403  104.926 3.5438  3.398376       5.080407 
1 1 1 15  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -3  22 o 78.220  2.3406  840.481   48.087    710.618   70.971    950.700   65.383    72.425  3.6705  84.016  2.9055  -11.59119      4.681271 
1 1 1 15  -3  23 o 34.048  2.1079  161.551   18.420    137.392   28.381    179.135   24.213    31.702  3.3952  36.394  2.4990  -4.692167      4.215720 
1 1 1 15  -3  24 o 33.066  2.0324  145.960   17.607    167.070   27.643    131.550   22.839    35.036  2.9737  31.097  2.7711  3.939472       4.064759 
1 1 1 15  -3  25 o 27.918  2.1362  105.701   15.433    112.476   24.546    101.272   19.848    28.607  3.2618  27.230  2.7594  1.376884       4.272443 
1 1 1 15  -3  26 o 19.514  2.4685  49.794    12.083    73.011    20.194    36.843    15.081    22.909  3.3936  16.119  3.5857  6.789749       4.936975 
1 1 1 15  -3  27 o 38.828  2.0796  202.781   21.144    225.851   33.534    187.557   27.241    40.593  3.1079  37.064  2.7639  3.529030       4.159100 
1 1 1 15  -3  28 o 12.287  2.8321  20.338    10.457    18.732    17.614    21.212    12.995    12.256  4.3175  12.318  3.6663  -0.6177235E-01 5.664134 
1 1 1 15  -3  29 o 39.694  2.1415  212.478   22.273    242.826   35.314    192.432   28.701    41.963  3.1652  37.425  2.8854  4.538139       4.282974 
1 1 1 15  -3  30 o 13.829  3.7378  27.527    14.175    0.0000    0.0000    27.527    14.175    ?       ?       13.829  3.7378  ?              ?        
1 1 1 15  -3  31 o 22.489  2.7001  70.425    15.063    80.978    25.776    64.952    18.563    23.585  4.2359  21.394  3.3493  2.191465       5.400114 
1 1 1 15  -3  32 o 25.695  2.6188  92.029    16.976    106.798   28.362    83.783    21.192    27.122  4.0263  24.267  3.3497  2.855366       5.237507 
1 1 1 15  -3  33 o 10.281  2.9119  9.7753    11.638    3.5241    21.688    12.303    13.792    10.369  4.4242  10.193  3.7872  0.1765499      5.823822 
1 1 1 15  -3  34 o 17.917  3.1724  44.136    14.533    70.367    26.241    32.532    17.454    21.226  4.7358  14.608  4.2224  6.617494       6.344816 
1 1 1 15  -3  35 o 36.304  2.5123  188.658   23.169    212.312   39.315    176.072   28.678    37.631  3.9600  34.978  3.0929  2.653316       5.024673 
1 1 1 15  -3  36 o 24.699  3.3345  106.475   19.595    75.030    33.934    122.204   24.000    20.474  5.8788  28.924  3.1488  -8.449787      6.668930 
1 1 1 15  -3  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -3  38 o 27.318  3.2633  120.752   21.307    125.530   37.993    118.559   25.735    26.679  5.4995  27.956  3.5145  -1.276651      6.526608 
1 1 1 15  -3  39 o 15.048  3.6251  38.626    16.215    46.912    31.235    35.569    18.971    15.637  5.7186  14.460  4.4568  1.176957       7.250160 
1 1 1 15  -3  40 o 13.239  3.5534  23.194    15.648    56.982    31.484    12.110    18.033    16.421  5.7734  10.057  4.1442  6.363498       7.106798 
1 1 1 15  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -2  3  f 138.277 3.5765  2554.49   124.695   2526.13   152.100   2612.61   217.764   137.189 4.1392  139.366 5.8337  -2.177216      7.152962 
1 1 1 15  -2  4  o 187.044 4.7741  4879.40   221.087   4261.35   382.538   5189.38   270.915   177.596 8.0418  196.491 5.1476  -18.89529      9.548173 
1 1 1 15  -2  5  o 151.317 3.1186  3075.27   126.385   3024.31   178.533   3126.47   178.939   150.057 4.4419  152.577 4.3785  -2.519485      6.237175 
1 1 1 15  -2  6  o 258.739 4.9190  9034.11   340.884   8918.92   481.903   9149.46   482.262   257.076 6.9985  260.401 6.9143  -3.325165      9.838078 
1 1 1 15  -2  7  o 167.470 3.3692  3770.46   151.126   3794.54   213.555   3746.29   213.895   168.008 4.7456  166.932 4.7838  1.076706       6.738364 
1 1 1 15  -2  8  o 212.498 4.1424  6084.42   235.770   6035.78   333.087   6133.26   333.771   211.643 5.8758  213.353 5.8406  -1.709991      8.284789 
1 1 1 15  -2  9  o 65.104  1.8698  568.316   32.602    557.193   45.824    579.717   46.394    64.459  2.6541  65.750  2.6344  -1.290573      3.739557 
1 1 1 15  -2  10 f 48.836  1.7520  320.394   22.863    328.501   32.112    312.060   32.558    49.498  2.4221  48.174  2.5321  1.323505       3.504009 
1 1 1 15  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -2  12 o 177.527 3.6039  4245.06   171.359   4187.44   241.964   4303.05   242.714   176.313 5.1236  178.741 5.0697  -2.428207      7.207877 
1 1 1 15  -2  13 o 91.672  2.2245  1127.97   54.602    1088.82   76.816    1167.94   77.629    90.062  3.1844  93.282  3.1070  -3.220116      4.448983 
1 1 1 15  -2  14 o 15.509  2.3091  33.407    9.2884    29.908    12.818    37.276    13.478    14.634  3.3433  16.385  3.1860  -1.750440      4.618247 
1 1 1 15  -2  15 o 42.499  1.8100  243.843   20.441    263.017   28.695    224.090   29.125    44.217  2.4322  40.781  2.6813  3.435585       3.620085 
1 1 1 15  -2  16 o 85.439  2.1551  979.972   49.302    945.170   69.332    1015.57   70.121    83.902  3.0851  86.976  3.0100  -3.073975      4.310189 
1 1 1 15  -2  17 o 67.946  1.9754  619.766   35.946    623.900   50.551    615.537   51.126    68.177  2.7682  67.716  2.8188  0.4612503      3.950791 
1 1 1 15  -2  18 o 154.579 3.1690  3221.79   131.208   3215.35   185.334   3228.25   185.780   154.425 4.4807  154.734 4.4825  -0.3091736     6.337979 
1 1 1 15  -2  19 o 36.851  1.8398  183.476   18.017    193.178   25.375    173.611   25.585    37.848  2.5174  35.853  2.6837  1.995014       3.679600 
1 1 1 15  -2  20 o 132.116 5.5943  2373.38   197.968   2373.38   197.968   0.0000    0.0000    132.116 5.5943  ?       ?       ?              ?        
1 1 1 15  -2  21 o 63.114  1.9669  535.825   33.246    524.487   46.690    547.486   47.350    62.436  2.7919  63.792  2.7712  -1.356411      3.933717 
1 1 1 15  -2  22 o 64.631  1.9648  562.540   34.007    547.563   47.872    577.798   48.318    63.759  2.8032  65.502  2.7540  -1.743198      3.929681 
1 1 1 15  -2  23 o 30.032  1.8600  122.533   14.800    126.740   20.847    118.257   21.015    30.565  2.5703  29.499  2.6893  1.066277       3.720074 
1 1 1 15  -2  24 o 35.272  1.8376  168.801   17.236    169.805   24.204    167.767   24.552    35.384  2.5714  35.160  2.6260  0.2235489      3.675293 
1 1 1 15  -2  25 o 23.614  2.0308  77.028    12.395    63.163    17.386    91.358    17.675    21.355  3.1328  25.873  2.5851  -4.518282      4.061645 
1 1 1 15  -2  26 o 78.483  2.7502  831.265   53.166    888.015   97.201    807.039   63.508    79.942  4.5583  77.023  3.0783  2.919205       5.500427 
1 1 1 15  -2  27 o 10.095  2.6393  10.049    8.9216    15.650    15.946    7.4968    10.764    11.442  4.0996  8.7468  3.3251  2.695520       5.278537 
1 1 1 15  -2  28 o 5.8033  1.9373  -10.9041  7.5478    -31.5856  15.513    -4.4900   8.6393    5.8121  2.8576  5.7946  2.6167  0.1749039E-01  3.874646 
1 1 1 15  -2  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -2  30 o 20.175  2.8042  58.583    14.015    59.247    23.763    58.229    17.354    20.065  4.5289  20.284  3.3082  -0.2190914     5.608454 
1 1 1 15  -2  31 o 15.710  3.1349  35.950    13.070    36.563    23.710    35.683    15.665    15.792  5.0002  15.629  3.7828  0.1632128      6.269855 
1 1 1 15  -2  32 o 26.702  2.5772  94.809    17.241    135.964   29.661    73.809    21.188    30.797  3.6679  22.607  3.6213  8.190205       5.154358 
1 1 1 15  -2  33 o 16.487  3.1033  45.143    14.374    23.917    25.751    54.749    17.324    13.598  5.1493  19.377  3.4652  -5.778589      6.206684 
1 1 1 15  -2  34 o 25.172  2.9837  98.154    18.070    88.841    31.020    102.938   22.231    23.603  5.0588  26.740  3.1653  -3.137325      5.967479 
1 1 1 15  -2  35 o 15.317  3.2740  39.373    14.991    23.937    26.871    46.348    18.063    13.310  5.2021  17.324  3.9769  -4.014531      6.548087 
1 1 1 15  -2  36 o 9.2870  2.8642  2.5923    12.469    -0.9067   23.389    3.9816    14.738    9.8629  4.3908  8.7112  3.6789  1.151711       5.728310 
1 1 1 15  -2  37 o 15.579  3.4689  41.238    15.617    36.421    29.670    43.084    18.367    14.774  5.5419  16.384  4.1737  -1.609313      6.937763 
1 1 1 15  -2  38 o 21.201  3.6217  76.245    19.033    84.571    35.182    72.800    22.630    21.069  5.9647  21.333  4.1095  -0.2643986     7.243320 
1 1 1 15  -2  39 o 26.721  3.5576  127.317   22.352    119.760   40.481    130.631   26.809    24.417  6.1833  29.025  3.5205  -4.607544      7.115235 
1 1 1 15  -2  40 o 17.927  3.8115  62.901    18.612    72.245    35.817    59.445    21.784    17.623  6.1599  18.232  4.4904  -0.6087303     7.622905 
1 1 1 15  -1  0  o 231.100 5.5697  7299.32   322.000   7481.21   393.620   6931.37   559.855   235.819 6.2317  226.380 9.2331  9.438385       11.13933 
1 1 1 15  -1  1  o 66.443  1.8237  591.770   32.435    563.974   45.655    620.094   46.087    64.866  2.6277  68.019  2.5296  -3.152908      3.647464 
1 1 1 15  -1  2  o 81.960  2.0036  900.599   43.976    923.900   62.301    877.463   62.081    83.017  2.8018  80.902  2.8649  2.115021       4.007230 
1 1 1 15  -1  3  o 207.515 4.0455  5797.38   224.571   6128.18   317.375   5465.68   317.809   213.475 5.5506  201.555 5.8869  11.92046       8.090971 
1 1 1 15  -1  4  o 125.618 2.6998  2117.56   90.831    2078.10   127.965   2157.63   128.948   124.437 3.8393  126.799 3.7967  -2.361603      5.399577 
1 1 1 15  -1  5  o 136.176 2.8916  2489.86   105.462   2518.58   149.109   2461.12   149.183   136.964 4.0645  135.388 4.1139  1.575531       5.783104 
1 1 1 15  -1  6  o 155.823 3.1306  3262.21   130.653   3308.25   184.884   3216.29   184.659   156.924 4.3986  154.722 4.4558  2.202759       6.261200 
1 1 1 15  -1  7  o 84.320  2.0882  953.849   47.143    921.430   66.628    986.350   66.713    82.883  3.0013  85.757  2.9044  -2.874313      4.176471 
1 1 1 15  -1  8  o 94.589  2.2349  1200.51   56.612    1172.54   79.974    1228.61   80.150    93.483  3.1939  95.695  3.1270  -2.212685      4.469812 
1 1 1 15  -1  9  o 68.210  1.9562  624.395   35.712    651.384   50.424    597.234   50.584    69.692  2.7012  66.728  2.8302  2.964165       3.912377 
1 1 1 15  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -1  11 o 163.080 3.3306  3578.90   145.468   3632.63   205.512   3524.96   205.933   164.313 4.6696  161.847 4.7504  2.466507       6.661181 
1 1 1 15  -1  12 o 120.893 2.6076  1963.23   84.433    1940.89   119.161   1985.74   119.653   120.202 3.7011  121.585 3.6741  -1.383469      5.215129 
1 1 1 15  -1  13 o 55.378  1.8489  411.600   27.406    425.887   38.594    397.068   38.924    56.350  2.5571  54.406  2.6711  1.943699       3.697715 
1 1 1 15  -1  14 o 46.790  1.8470  294.509   23.053    289.056   32.304    300.167   32.908    46.347  2.6129  47.232  2.6113  -0.8853302     3.694097 
1 1 1 15  -1  15 o 238.523 4.5892  7701.00   293.173   7806.10   414.431   7595.73   414.788   240.171 6.4423  236.876 6.5376  3.294998       9.178436 
1 1 1 15  -1  16 o 140.345 3.0149  2651.49   113.314   2701.16   160.022   2601.52   160.481   141.671 4.2170  139.019 4.3098  2.652603       6.029763 
1 1 1 15  -1  17 o 37.624  1.8254  190.983   18.272    195.806   25.616    185.988   26.070    38.116  2.5233  37.133  2.6384  0.9833603      3.650761 
1 1 1 15  -1  18 o 111.888 2.5300  1684.44   75.817    1695.07   106.963   1673.71   107.482   112.245 3.5578  111.530 3.5980  0.7154236      5.059937 
1 1 1 15  -1  19 o 66.188  1.9698  588.884   34.910    600.610   49.116    576.912   49.628    66.857  2.7427  65.518  2.8280  1.339111       3.939547 
1 1 1 15  -1  20 o 56.505  3.7261  432.584   56.076    0.0000    0.0000    432.584   56.076    ?       ?       56.505  3.7261  ?              ?        
1 1 1 15  -1  21 o 104.747 2.4536  1480.95   68.836    1480.32   97.065    1481.59   97.636    104.726 3.4603  104.767 3.4793  -0.4042816E-01 4.907110 
1 1 1 15  -1  22 o 55.018  1.9029  408.224   27.957    381.993   39.180    435.434   39.903    53.173  2.7604  56.863  2.6199  -3.689903      3.805805 
1 1 1 15  -1  23 o 68.758  2.0238  638.836   37.242    663.509   52.438    613.725   52.902    70.112  2.7923  67.404  2.9302  2.708176       4.047614 
1 1 1 15  -1  24 o 24.895  1.9642  84.737    12.849    78.338    17.899    91.540    18.456    23.901  2.8524  25.890  2.7012  -1.989746      3.928431 
1 1 1 15  -1  25 o 15.839  2.3507  35.402    9.6552    34.177    13.661    36.625    13.648    15.551  3.3765  16.127  3.2713  -0.5759373     4.701316 
1 1 1 15  -1  26 o 24.221  2.0708  80.963    13.037    68.752    18.158    93.955    18.729    22.259  3.1321  26.183  2.7098  -3.923958      4.141650 
1 1 1 15  -1  27 o 53.972  1.9586  397.067   28.216    389.240   39.670    405.081   40.142    53.429  2.7817  54.516  2.7580  -1.087215      3.917196 
1 1 1 15  -1  28 o 33.935  2.7861  157.984   25.101    157.984   25.101    0.0000    0.0000    33.935  2.7861  ?       ?       ?              ?        
1 1 1 15  -1  29 o 21.695  2.2897  66.159    12.883    63.162    18.293    69.108    18.148    21.167  3.3370  22.222  3.1362  -1.054674      4.579411 
1 1 1 15  -1  30 o 22.517  2.2795  71.736    13.251    62.637    18.780    80.759    18.701    20.980  3.4628  24.053  2.9655  -3.072481      4.559042 
1 1 1 15  -1  31 o 58.937  2.7987  488.250   39.460    511.109   74.531    479.348   46.514    59.107  4.7478  58.767  2.9646  0.3405991      5.597324 
1 1 1 15  -1  32 o 40.351  2.4271  232.995   24.934    224.789   40.827    237.876   31.488    39.429  3.9177  41.273  2.8661  -1.844189      4.854171 
1 1 1 15  -1  33 o 20.863  3.0845  81.288    16.974    24.900    29.874    108.169   20.627    14.043  5.4861  27.683  2.8212  -13.64025      6.169021 
1 1 1 15  -1  34 o 23.858  2.8920  80.323    17.075    109.416   29.899    66.242    20.801    26.737  4.3224  20.979  3.8434  5.758087       5.784019 
1 1 1 15  -1  35 o 34.317  2.6242  168.407   22.668    201.777   39.437    151.942   27.702    36.363  4.1218  32.271  3.2490  4.092476       5.248401 
1 1 1 15  -1  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  -1  37 o 29.694  3.4165  155.438   23.088    112.453   40.105    176.746   28.236    24.645  6.1067  34.744  3.0656  -10.09911      6.832952 
1 1 1 15  -1  38 o 19.441  3.6297  70.406    18.872    57.815    34.721    75.685    22.482    17.098  6.0575  21.784  4.0006  -4.685764      7.259356 
1 1 1 15  -1  39 o 35.726  3.0288  208.365   26.192    220.527   46.406    202.680   31.730    35.107  5.0829  36.345  3.2952  -1.237232      6.057607 
1 1 1 15  0   0  o 172.972 3.4686  4018.95   160.674   3930.34   226.988   4107.93   227.466   171.056 4.9542  174.888 4.8559  -3.831909      6.937145 
1 1 1 15  0   1  o 152.069 3.1203  3105.50   127.036   3217.76   179.754   2993.48   179.557   154.822 4.3347  149.316 4.4896  5.506058       6.240653 
1 1 1 15  0   2  o 160.668 3.2516  3468.01   139.867   3584.61   197.610   3350.95   197.994   163.383 4.5156  157.953 4.6799  5.430313       6.503212 
1 1 1 15  0   3  o 129.007 2.7487  2234.85   94.916    2321.19   133.908   2147.67   134.558   131.518 3.8013  126.496 3.9714  5.022942       5.497442 
1 1 1 15  0   4  o 59.990  1.8333  482.716   29.440    497.777   41.424    467.345   41.849    60.937  2.5380  59.042  2.6463  1.894543       3.666615 
1 1 1 15  0   5  f 42.067  1.7232  238.205   19.312    249.923   27.262    226.402   27.361    43.115  2.3698  41.019  2.5023  2.095253       3.446342 
1 1 1 15  0   6  o 123.524 2.6953  2048.41   89.170    2076.65   126.287   2020.34   125.925   124.374 3.7909  122.674 3.8324  1.700897       5.390548 
1 1 1 15  0   7  o 62.165  1.9116  518.451   31.801    545.718   45.079    491.438   44.869    63.795  2.6381  60.536  2.7673  3.259502       3.823276 
1 1 1 15  0   8  o 97.076  2.3127  1264.59   60.134    1257.51   85.075    1271.66   85.010    96.803  3.2811  97.348  3.2603  -0.5442429     4.625486 
1 1 1 15  0   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  0   10 f 66.618  1.9093  595.321   34.058    576.135   48.065    614.667   48.265    65.539  2.7380  67.698  2.6618  -2.158997      3.818641 
1 1 1 15  0   11 o 187.984 3.7021  4760.72   186.396   4811.61   263.412   4709.69   263.795   188.997 5.2035  186.971 5.2675  2.025803       7.404222 
1 1 1 15  0   12 o 50.711  1.7867  345.507   24.211    356.641   34.124    334.220   34.357    51.569  2.4705  49.852  2.5819  1.717010       3.573422 
1 1 1 15  0   13 o 106.480 2.4425  1522.59   69.660    1519.46   98.237    1525.75   98.792    106.371 3.4480  106.590 3.4603  -0.2188797     4.884927 
1 1 1 15  0   14 o 121.904 2.6869  1997.12   87.732    1991.30   123.805   2003.00   124.341   121.726 3.7972  122.082 3.8025  -0.3566971     5.373852 
1 1 1 15  0   15 o 100.842 2.3310  1365.73   62.958    1343.38   88.790    1388.33   89.283    100.011 3.3146  101.674 3.2785  -1.662666      4.662069 
1 1 1 15  0   16 o 118.818 2.6629  1898.56   84.743    1910.34   119.600   1886.68   120.091   119.190 3.7463  118.445 3.7853  0.7456207      5.325736 
1 1 1 15  0   17 o 45.291  1.8080  276.273   21.837    280.635   30.658    271.782   31.112    45.659  2.5166  44.923  2.5967  0.7357140      3.616083 
1 1 1 15  0   18 o 43.375  1.8200  253.574   21.043    256.944   29.545    250.105   29.978    43.672  2.5367  43.077  2.6105  0.5946503      3.639945 
1 1 1 15  0   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  0   20 o 32.874  1.9139  146.422   16.691    149.859   23.381    142.850   23.835    33.279  2.6449  32.470  2.7670  0.8088760      3.827813 
1 1 1 15  0   21 o 32.135  1.8511  139.890   15.757    128.082   22.042    152.230   22.534    30.726  2.7059  33.543  2.5267  -2.816729      3.702165 
1 1 1 15  0   22 o 95.018  2.3389  1221.10   59.525    1222.63   83.906    1219.55   84.460    95.082  3.2946  94.954  3.3208  0.1275711      4.677865 
1 1 1 15  0   23 o 54.560  1.8983  401.816   27.739    394.351   38.943    409.504   39.522    54.045  2.6902  55.075  2.6791  -1.030346      3.796693 
1 1 1 15  0   24 o 20.455  2.1950  59.270    11.332    73.340    15.809    44.397    16.254    23.155  2.5935  17.755  3.5420  5.400005       4.389980 
1 1 1 15  0   25 o 22.365  2.0956  69.096    12.206    62.954    17.106    75.466    17.420    21.307  3.0874  23.423  2.8344  -2.115532      4.191161 
1 1 1 15  0   26 o 24.850  2.0510  84.755    13.353    76.738    18.318    93.843    19.504    23.569  2.9675  26.131  2.8319  -2.562023      4.101967 
1 1 1 15  0   27 o 60.390  2.0166  496.722   32.614    485.154   45.766    508.660   46.489    59.672  2.8634  61.109  2.8403  -1.436852      4.033134 
1 1 1 15  0   28 o 29.660  2.9740  121.496   23.308    0.0000    0.0000    121.496   23.308    ?       ?       29.660  2.9740  ?              ?        
1 1 1 15  0   29 o 10.362  2.4425  8.8383    9.5712    -7.6815   13.215    27.067    13.881    7.0137  3.1944  13.711  3.6959  -6.697410      4.885054 
1 1 1 15  0   30 o 53.390  2.0429  394.046   29.053    365.490   40.827    423.340   41.351    51.372  2.9799  55.408  2.7953  -4.035713      4.085790 
1 1 1 15  0   31 o 78.955  2.3017  872.006   48.675    874.450   68.732    869.547   68.943    79.076  3.2451  78.834  3.2650  0.2426071      4.603357 
1 1 1 15  0   32 o 20.084  2.6311  59.158    13.623    55.107    18.872    63.565    19.685    19.323  3.7817  20.845  3.6592  -1.521566      5.262246 
1 1 1 15  0   33 o 19.567  2.5883  56.861    13.056    57.815    18.136    55.836    18.810    19.795  3.5509  19.339  3.7667  0.4559498      5.176599 
1 1 1 15  0   34 o 24.126  2.3463  85.254    14.742    87.084    20.546    83.312    21.164    24.458  3.2141  23.794  3.4191  0.6637821      4.692588 
1 1 1 15  0   35 f 13.180  5.5134  19.247    32.602    19.247    32.602    0.0000    0.0000    13.180  5.5134  ?       ?       ?              ?        
1 1 1 15  0   36 o 33.337  2.8762  165.814   23.797    189.296   41.628    154.415   29.004    34.415  4.6338  32.258  3.4084  2.157101       5.752302 
1 1 1 15  0   37 o 30.787  3.1392  146.351   23.476    170.444   42.168    135.530   28.260    31.724  5.1383  29.849  3.6078  1.874565       6.278435 
1 1 1 15  0   38 o 15.957  2.6612  47.088    17.349    -45.0078  32.221    84.688    20.588    8.3927  4.1248  23.522  3.3635  -15.12921      5.322304 
1 1 1 15  1   0  o 102.837 2.3350  1418.30   64.317    1411.19   91.022    1425.39   90.893    102.579 3.3128  103.095 3.2916  -0.5158463     4.670054 
1 1 1 15  1   1  o 425.706 8.0021  24687.20  912.380   24994.42  1290.24   24379.93  1290.36   428.401 11.244  423.011 11.389  5.389771       16.00418 
1 1 1 15  1   2  o 219.210 4.2855  6468.89   251.616   6523.21   355.461   6414.34   356.217   220.138 6.0285  218.281 6.0927  1.856659       8.571088 
1 1 1 15  1   3  o 185.323 3.6721  4618.80   182.238   4713.84   257.269   4523.08   258.180   187.246 5.1296  183.400 5.2557  3.845566       7.344104 
1 1 1 15  1   4  o 87.882  2.2005  1036.11   51.786    1054.45   72.983    1017.53   73.494    88.667  3.0731  87.098  3.1503  1.569305       4.400920 
1 1 1 15  1   5  o 76.498  2.0589  784.799   42.186    784.614   59.617    784.984   59.705    76.489  2.9099  76.506  2.9135  -0.1791382E-01 4.117816 
1 1 1 15  1   6  f 115.290 2.5934  1784.26   80.082    1776.79   113.377   1791.70   113.131   115.048 3.6792  115.532 3.6559  -0.4834900     5.186718 
1 1 1 15  1   7  o 156.862 6.3619  3319.60   267.295   3319.60   267.295   0.0000    0.0000    156.862 6.3619  ?       ?       ?              ?        
1 1 1 15  1   8  o 102.701 3.2265  1481.26   80.680    1265.17   142.062   1584.14   98.022    96.761  5.5041  108.642 3.3685  -11.88080      6.453080 
1 1 1 15  1   9  o 217.357 4.2552  6373.72   247.694   6239.52   350.234   6508.00   350.349   215.051 6.0803  219.663 5.9546  -4.610962      8.510481 
1 1 1 15  1   10 o 125.519 2.7353  2116.60   91.960    2110.37   130.067   2122.82   130.034   125.334 3.8744  125.704 3.8620  -0.3703842     5.470533 
1 1 1 15  1   11 o 103.384 2.3987  1434.98   66.422    1430.53   93.834    1439.45   94.037    103.223 3.3938  103.545 3.3906  -0.3212662     4.797353 
1 1 1 15  1   12 o 243.505 4.7623  8021.83   310.584   8126.92   439.149   7916.66   439.315   245.117 6.6888  241.893 6.7806  3.224609       9.524506 
1 1 1 15  1   13 o 45.388  1.8306  277.258   22.156    285.014   31.361    269.527   31.307    46.027  2.5539  44.749  2.6234  1.277668       3.661245 
1 1 1 15  1   14 o 89.267  2.2335  1070.10   53.392    1090.72   75.265    1049.20   75.754    90.136  3.1175  88.398  3.1994  1.738037       4.467095 
1 1 1 15  1   15 o 62.312  1.9291  521.055   32.195    520.425   45.327    521.696   45.736    62.274  2.7175  62.349  2.7387  -0.7501984E-01 3.858105 
1 1 1 15  1   16 o 57.766  1.8828  447.976   29.125    453.774   40.944    442.037   41.439    58.146  2.6289  57.386  2.6960  0.7601357      3.765600 
1 1 1 15  1   17 f 125.374 2.7368  2116.83   91.904    2107.90   129.660   2125.85   130.286   125.108 3.8693  125.639 3.8715  -0.5312729     5.473592 
1 1 1 15  1   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  1   19 o 107.793 2.5419  1567.07   73.390    1561.04   103.488   1573.16   104.092   107.586 3.5912  108.001 3.5983  -0.4151535     5.083815 
1 1 1 15  1   20 o 21.767  2.0491  65.064    11.570    56.831    16.239    73.554    16.490    20.310  3.0818  23.224  2.7014  -2.914454      4.098167 
1 1 1 15  1   21 o 115.424 2.6364  1805.42   81.467    1864.90   115.011   1745.53   115.413   117.357 3.6588  113.491 3.7967  3.865601       5.272741 
1 1 1 15  1   22 o 40.288  1.8448  219.741   19.794    212.910   27.783    226.783   28.209    39.646  2.6312  40.930  2.5864  -1.284340      3.689557 
1 1 1 15  1   23 o 80.220  2.1697  872.044   46.617    878.406   65.721    865.602   66.134    80.521  3.0472  79.919  3.0895  0.6018524      4.339429 
1 1 1 15  1   24 o 87.154  2.2835  1033.02   53.302    1016.65   75.049    1049.69   75.716    86.452  3.2410  87.855  3.2176  -1.403381      4.566963 
1 1 1 15  1   25 o 16.080  2.3859  36.821    9.9653    29.493    14.122    44.089    14.064    14.401  3.6550  17.759  3.0677  -3.358069      4.771736 
1 1 1 15  1   26 o 51.871  1.9662  366.845   27.215    371.032   38.344    362.595   38.633    52.179  2.7533  51.563  2.8078  0.6161079      3.932498 
1 1 1 15  1   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  1   28 o 27.073  2.0620  101.385   14.711    98.272    20.530    104.671   21.092    26.639  2.9255  27.507  2.9067  -0.8683376     4.124049 
1 1 1 15  1   29 o 21.357  2.3940  64.860    12.990    48.723    17.928    82.694    18.847    18.361  3.7716  24.353  2.9496  -5.991211      4.788040 
1 1 1 15  1   30 o 14.793  2.7703  32.403    11.282    26.059    16.528    37.937    15.437    13.456  4.1621  16.130  3.6574  -2.673990      5.540670 
1 1 1 15  1   31 o 19.935  2.5398  58.137    12.999    65.869    18.218    50.115    18.555    21.449  3.2748  18.421  3.8830  3.027746       5.079605 
1 1 1 15  1   32 o 25.719  2.3221  95.248    15.570    102.723   21.917    87.633    22.121    26.843  3.1058  24.595  3.4530  2.247084       4.644276 
1 1 1 15  1   33 o 26.403  2.2797  100.739   15.781    97.638    21.979    104.040   22.674    25.976  3.2285  26.830  3.2194  -0.8531036     4.559398 
1 1 1 15  1   34 o 7.4702  2.3271  -2.1927   9.1581    1.7552    12.895    -6.2109   13.009    7.9866  3.4096  6.9538  3.1680  1.032820       4.654186 
1 1 1 15  1   35 o 20.531  2.7538  64.753    14.588    66.180    20.600    63.317    20.662    20.799  3.8392  20.262  3.9490  0.5371513      5.507623 
1 1 1 15  1   36 f 13.940  3.0159  30.786    12.456    24.798    17.298    37.236    17.952    12.661  4.2861  15.218  4.2441  -2.557099      6.031796 
1 1 1 15  1   37 o 30.013  2.3977  136.161   18.896    139.974   26.244    132.056   27.229    30.584  3.2536  29.443  3.5227  1.141483       4.795393 
1 1 1 15  1   38 o 10.606  3.1254  13.290    14.437    -1.0592   28.729    18.138    16.698    10.211  4.6733  11.001  4.1512  -0.7900476     6.250794 
1 1 1 15  2   0  o 47.519  1.7274  303.495   21.908    300.698   31.161    306.229   30.808    47.300  2.4681  47.738  2.4173  -0.4376144     3.454711 
1 1 1 15  2   1  o 431.828 8.1552  25450.41  943.200   25791.20  1333.75   25109.48  1334.02   434.776 11.453  428.880 11.613  5.895538       16.31041 
1 1 1 15  2   2  f 316.810 6.0268  13588.02  511.410   13673.61  722.759   13502.20  723.728   317.822 8.4902  315.798 8.5561  2.024536       12.05370 
1 1 1 15  2   3  o 166.379 3.3296  3720.33   148.337   3607.05   209.173   3834.94   210.394   163.824 4.7669  168.934 4.6497  -5.110336      6.659110 
1 1 1 15  2   4  o 175.375 3.4762  4135.24   163.288   4101.13   230.552   4169.57   231.299   174.647 4.9285  176.102 4.9037  -1.454590      6.952443 
1 1 1 15  2   5  o 329.216 6.2485  14709.32  550.996   14721.05  779.159   14697.58  779.292   329.350 8.8324  329.083 8.8411  0.2669678      12.49707 
1 1 1 15  2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  2   7  o 159.813 3.3314  3434.80   142.591   3488.47   201.920   3381.41   201.390   161.063 4.6805  158.564 4.7418  2.499237       6.662751 
1 1 1 15  2   8  o 50.116  1.8068  337.666   24.173    339.596   34.307    335.763   34.066    50.259  2.5569  49.974  2.5535  0.2849884      3.613610 
1 1 1 15  2   9  o 80.451  2.0662  868.338   44.519    885.319   63.064    851.471   62.854    81.236  2.8983  79.666  2.9456  1.570313       4.132403 
1 1 1 15  2   10 o 98.678  2.3699  1307.17   62.638    1313.93   88.650    1300.44   88.516    98.934  3.3454  98.423  3.3577  0.5102310      4.739768 
1 1 1 15  2   11 o 131.168 2.8610  2312.89   100.479   2387.00   142.179   2238.94   142.019   133.275 3.9829  129.061 4.1083  4.213593       5.722004 
1 1 1 15  2   12 o 51.686  1.8097  358.750   25.011    353.121   35.317    364.414   35.424    51.246  2.5813  52.126  2.5372  -0.8800163     3.619487 
1 1 1 15  2   13 f 90.046  2.2455  1088.67   54.149    1107.61   76.457    1069.61   76.700    90.834  3.1426  89.257  3.2082  1.576126       4.490899 
1 1 1 15  2   14 o 162.252 3.2941  3545.96   143.154   3502.08   202.161   3590.10   202.740   161.240 4.6809  163.263 4.6362  -2.022675      6.588294 
1 1 1 15  2   15 o 98.337  2.3390  1299.28   61.605    1291.00   86.863    1307.66   87.386    98.021  3.3085  98.652  3.3071  -0.6307220     4.677905 
1 1 1 15  2   16 o 160.443 3.2881  3473.75   141.302   3463.30   199.489   3484.27   200.176   160.201 4.6490  160.685 4.6510  -0.4836731     6.576128 
1 1 1 15  2   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  2   18 o 95.415  2.3770  1226.30   60.746    1225.97   85.617    1226.63   86.202    95.404  3.3505  95.426  3.3726  -0.2214813E-01 4.753935 
1 1 1 15  2   19 o 61.544  1.9541  509.946   32.194    525.501   45.308    494.083   45.755    62.498  2.7066  60.589  2.8194  1.908798       3.908233 
1 1 1 15  2   20 o 44.694  1.8546  269.798   22.086    255.660   30.981    284.406   31.493    43.492  2.6724  45.896  2.5722  -2.403294      3.709162 
1 1 1 15  2   21 o 22.060  1.9847  66.820    11.433    70.459    16.008    63.031    16.334    22.705  2.6842  21.415  2.9242  1.290241       3.969344 
1 1 1 15  2   22 o 73.345  2.1004  727.793   41.261    724.948   58.021    730.704   58.689    73.203  2.9592  73.487  2.9816  -0.2843857     4.200839 
1 1 1 15  2   23 o 51.937  1.9074  365.737   26.437    354.747   37.037    377.154   37.748    51.136  2.7138  52.738  2.6810  -1.602516      3.814816 
1 1 1 15  2   24 o 55.244  1.9575  414.339   28.912    417.613   40.701    411.005   41.078    55.506  2.7377  54.982  2.7986  0.5239716      3.914973 
1 1 1 15  2   25 o 34.209  1.9239  159.794   17.480    158.804   24.477    160.824   24.971    34.105  2.7016  34.313  2.7399  -0.2080193     3.847792 
1 1 1 15  2   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  2   27 f 10.447  2.5165  11.777    9.2616    0.9438    12.936    23.170    13.266    8.1085  3.4368  12.786  3.6770  -4.677022      5.033073 
1 1 1 15  2   28 o 44.894  1.9775  277.056   23.660    276.731   33.331    277.387   33.593    44.872  2.7870  44.917  2.8063  -0.4537582E-01 3.955062 
1 1 1 15  2   29 o 25.499  2.2463  92.233    14.697    73.519    20.760    111.034   20.808    22.710  3.5274  28.289  2.7822  -5.579523      4.492573 
1 1 1 15  2   30 o 33.292  2.0970  154.964   18.439    139.883   25.772    170.779   26.392    31.562  3.0881  35.021  2.8380  -3.458656      4.194094 
1 1 1 15  2   31 o 45.677  2.0653  292.469   25.129    297.104   35.371    287.746   35.706    46.071  2.8808  45.283  2.9602  0.7882156      4.130617 
1 1 1 15  2   32 o 16.590  2.7023  41.377    12.234    23.678    16.876    60.981    17.761    12.735  4.2330  20.444  3.3603  -7.708353      5.404595 
1 1 1 15  2   33 o 8.0493  2.3217  -1.1720   9.0570    -15.7711  12.801    13.461    12.816    5.9471  2.8440  10.151  3.6705  -4.204288      4.643386 
1 1 1 15  2   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  2   35 o 31.685  2.2771  146.936   19.053    144.037   26.644    149.969   27.257    31.366  3.2170  32.004  3.2235  -0.6385040     4.554135 
1 1 1 15  2   36 o 10.602  2.8965  13.638    11.924    7.3054    16.819    20.036    16.906    9.5402  3.9728  11.665  4.2161  -2.124582      5.792996 
1 1 1 15  2   37 o 7.8811  2.4875  -1.7325   10.695    -2.4779   15.164    -0.9946   15.086    7.8019  3.4997  7.9602  3.5360  -0.1583219     4.975028 
1 1 1 15  3   0  o 212.099 4.1304  6055.31   234.636   6122.45   331.520   5987.92   332.132   213.284 5.8031  210.914 5.8792  2.369949       8.260793 
1 1 1 15  3   1  o 241.923 4.6873  7891.12   303.705   7993.76   429.122   7788.10   429.885   243.512 6.5792  240.335 6.6780  3.176697       9.374499 
1 1 1 15  3   2  o 170.644 3.4372  3914.85   157.082   3981.18   221.740   3848.03   222.557   172.102 4.8103  169.186 4.9112  2.915298       6.874487 
1 1 1 15  3   3  o 171.483 3.4362  3953.40   157.823   3896.41   222.608   4010.99   223.788   170.238 4.8820  172.729 4.8371  -2.490967      6.872492 
1 1 1 15  3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  3   5  o 235.628 4.6037  7491.98   290.542   7570.17   410.868   7413.79   410.908   236.867 6.4760  234.389 6.5451  2.477890       9.207476 
1 1 1 15  3   6  f 159.005 3.2816  3399.50   139.760   3408.46   197.736   3390.55   197.566   159.215 4.6367  158.795 4.6450  0.4198151      6.563202 
1 1 1 15  3   7  o 161.953 3.3437  3528.96   144.979   3407.81   205.088   3649.97   204.974   159.162 4.8107  164.745 4.6451  -5.582626      6.687351 
1 1 1 15  3   8  o 143.992 3.0705  2787.30   118.419   2767.90   167.642   2806.62   167.296   143.489 4.3619  144.495 4.3226  -1.005219      6.140930 
1 1 1 15  3   9  o 26.189  1.7912  93.026    12.378    87.784    17.707    98.035    17.311    25.448  2.6360  26.931  2.4259  -1.482517      3.582414 
1 1 1 15  3   10 o 77.721  2.0847  810.514   43.389    833.615   61.527    787.660   61.196    78.825  2.9142  76.618  2.9820  2.206726       4.169475 
1 1 1 15  3   11 o 116.112 2.5971  1810.99   80.767    1837.40   114.317   1784.68   114.125   116.959 3.6491  115.264 3.6966  1.694855       5.194295 
1 1 1 15  3   12 o 97.638  2.3354  1280.12   61.065    1253.10   86.322    1307.20   86.395    96.604  3.3361  98.672  3.2689  -2.068504      4.670710 
1 1 1 15  3   13 o 94.594  2.3005  1201.62   58.286    1195.77   82.334    1207.50   82.524    94.363  3.2576  94.825  3.2491  -0.4625244     4.600939 
1 1 1 15  3   14 o 134.592 2.8533  2437.53   102.862   2419.80   145.277   2455.36   145.660   134.100 4.0446  135.085 4.0257  -0.9846344     5.706618 
1 1 1 15  3   15 o 84.092  2.2006  950.136   49.565    944.769   69.919    955.557   70.273    83.853  3.1130  84.331  3.1111  -0.4775391     4.401117 
1 1 1 15  3   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  3   17 o 91.745  2.3234  1133.64   57.068    1169.54   80.521    1097.41   80.894    93.214  3.2251  90.276  3.3454  2.937622       4.646830 
1 1 1 15  3   18 o 110.134 2.5688  1637.06   75.778    1630.45   106.828   1643.76   107.507   109.911 3.6287  110.357 3.6371  -0.4455643     5.137694 
1 1 1 15  3   19 o 93.519  2.3539  1180.64   58.962    1177.06   83.071    1184.27   83.702    93.378  3.3213  93.661  3.3365  -0.2823792     4.707803 
1 1 1 15  3   20 o 23.727  1.9491  77.016    12.127    71.781    17.179    82.216    17.123    22.893  2.8642  24.561  2.6444  -1.667854      3.898280 
1 1 1 15  3   21 o 41.106  1.8587  228.877   20.351    221.676   28.606    236.256   28.960    40.444  2.6554  41.768  2.6015  -1.323967      3.717369 
1 1 1 15  3   22 o 50.451  1.9376  345.418   26.067    356.346   36.658    334.239   37.076    51.275  2.6784  49.627  2.8007  1.648186       3.875281 
1 1 1 15  3   23 o 23.446  2.0453  75.753    12.542    80.650    17.687    70.799    17.788    24.246  2.7735  22.647  3.0068  1.598879       4.090597 
1 1 1 15  3   24 o 24.165  2.0922  81.370    12.921    62.374    18.130    100.978   18.420    21.142  3.3102  27.189  2.5596  -6.046286      4.184352 
1 1 1 15  3   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  3   26 o 22.051  2.2104  67.863    12.627    60.248    17.680    75.791    18.040    20.717  3.2966  23.385  2.9454  -2.667860      4.420744 
1 1 1 15  3   27 o 24.754  2.1460  85.328    13.901    91.134    19.705    79.577    19.613    25.638  2.9217  23.871  3.1440  1.767179       4.292001 
1 1 1 15  3   28 o 35.234  2.0105  171.615   18.812    173.791   26.647    169.453   26.561    35.464  2.8288  35.005  2.8579  0.4590569      4.021096 
1 1 1 15  3   29 o 20.916  2.4566  62.708    13.254    57.172    18.545    68.488    18.949    19.900  3.6123  21.933  3.3301  -2.033466      4.913116 
1 1 1 15  3   30 f 26.200  2.3421  99.257    15.362    69.119    21.430    131.114   22.033    21.736  3.8204  30.664  2.7105  -8.928284      4.684218 
1 1 1 15  3   31 o 32.178  2.1831  148.170   18.287    174.553   25.851    121.742   25.873    35.272  2.7582  29.083  3.3847  6.188942       4.366231 
1 1 1 15  3   32 o 31.019  2.2269  138.590   17.983    114.167   25.144    164.162   25.729    28.002  3.4237  34.035  2.8485  -6.032625      4.453766 
1 1 1 15  3   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  3   34 o 29.426  2.2905  126.416   17.717    117.299   24.802    135.915   25.316    28.258  3.3416  30.595  3.1335  -2.337734      4.580936 
1 1 1 15  3   35 o 26.059  2.5627  102.954   17.276    111.899   24.049    93.416    24.834    27.463  3.3378  24.654  3.8896  2.809223       5.125444 
1 1 1 15  3   36 o 11.004  2.9247  16.985    11.714    18.720    16.634    15.278    16.499    11.319  4.1680  10.690  4.1039  0.6292038      5.849329 
1 1 1 15  4   0  o 67.128  2.9670  625.888   51.272    765.991   70.248    466.179   75.003    75.557  3.4711  58.699  4.8128  16.85851       5.933960 
1 1 1 15  4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  4   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  4   3  o 78.333  2.0693  823.118   43.409    834.731   61.134    811.309   61.648    78.892  2.8931  77.774  2.9593  1.117279       4.138534 
1 1 1 15  4   4  o 208.581 4.0936  5861.32   228.699   5826.77   323.024   5896.03   323.837   207.963 5.7991  209.200 5.7793  -1.236557      8.187180 
1 1 1 15  4   5  o 187.174 3.7548  4716.86   188.216   4812.38   266.147   4621.29   266.208   189.080 5.2552  185.268 5.3645  3.811966       7.509656 
1 1 1 15  4   6  o 149.606 3.1519  3008.96   126.298   2982.11   178.633   3035.79   178.590   148.936 4.4779  150.276 4.4369  -1.339691      6.303760 
1 1 1 15  4   7  o 136.628 2.9594  2508.73   108.295   2483.19   153.287   2534.19   153.019   135.931 4.2102  137.325 4.1601  -1.394379      5.918789 
1 1 1 15  4   8  o 158.292 3.2818  3370.71   139.124   3306.05   196.853   3435.23   196.650   156.769 4.6881  159.816 4.5939  -3.047638      6.563699 
1 1 1 15  4   9  o 55.268  1.9040  410.522   28.112    393.301   39.901    427.495   39.614    54.078  2.7639  56.458  2.6196  -2.379757      3.808045 
1 1 1 15  4   10 o 53.383  1.8640  382.768   26.602    374.883   37.677    390.607   37.566    52.799  2.6729  53.966  2.5989  -1.167011      3.728065 
1 1 1 15  4   11 o 54.164  1.8633  393.553   27.032    391.234   38.322    395.850   38.136    54.005  2.6493  54.324  2.6209  -0.3186035     3.726636 
1 1 1 15  4   12 o 80.630  2.1190  872.648   45.763    875.494   64.738    869.805   64.700    80.762  2.9927  80.498  3.0008  0.2633286      4.238030 
1 1 1 15  4   13 o 48.649  1.8634  318.528   24.188    324.580   34.268    312.520   34.146    49.113  2.6144  48.186  2.6559  0.9274216      3.726760 
1 1 1 15  4   14 o 82.400  2.1746  912.254   47.990    926.565   67.807    897.892   67.930    83.050  3.0482  81.751  3.1023  1.299614       4.349207 
1 1 1 15  4   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  4   16 o 59.538  1.9771  476.612   31.514    494.537   44.607    458.751   44.528    60.660  2.7454  58.416  2.8458  2.243660       3.954267 
1 1 1 15  4   17 o 51.067  1.8902  351.616   25.765    350.453   36.362    352.788   36.513    50.982  2.6721  51.152  2.6743  -0.1696320     3.780490 
1 1 1 15  4   18 o 53.241  1.8762  381.979   26.706    373.738   37.700    390.277   37.835    52.628  2.6834  53.855  2.6229  -1.226669      3.752329 
1 1 1 15  4   19 o 65.553  2.0139  579.444   35.358    577.572   49.724    581.359   50.288    65.447  2.8365  65.658  2.8595  -0.2106323     4.027707 
1 1 1 15  4   20 o 47.599  1.8853  306.635   23.937    310.116   33.746    303.109   33.960    47.876  2.6418  47.322  2.6904  0.5545959      3.770601 
1 1 1 15  4   21 o 9.3316  2.3622  10.063    7.4780    9.7160    10.308    10.449    10.865    9.1860  3.2956  9.4771  3.3852  -0.2910757     4.724456 
1 1 1 15  4   22 o 32.556  1.9297  145.270   16.525    165.005   23.290    125.261   23.451    34.854  2.5116  30.258  2.9303  4.595327       3.859387 
1 1 1 15  4   23 o 28.746  1.9421  113.495   14.687    124.518   20.591    102.078   20.956    30.222  2.5680  27.269  2.9142  2.953438       3.884266 
1 1 1 15  4   24 o 38.650  3.5361  206.326   36.201    206.326   36.201    0.0000    0.0000    38.650  3.5361  ?       ?       ?              ?        
1 1 1 15  4   25 o 28.460  2.0184  111.530   15.134    102.171   21.294    121.082   21.514    27.210  2.9699  29.710  2.7342  -2.499325      4.036849 
1 1 1 15  4   26 o 21.174  2.3227  63.140    12.588    50.801    17.472    76.457    18.151    18.884  3.5854  23.463  2.9537  -4.578663      4.645377 
1 1 1 15  4   27 o 25.834  2.1706  92.995    14.628    80.914    20.281    106.094   21.119    24.008  3.2364  27.659  2.8934  -3.651217      4.341216 
1 1 1 15  4   28 o 17.127  2.6277  43.114    11.774    53.141    16.536    32.804    16.768    19.299  3.3186  14.954  4.0751  4.344122       5.255377 
1 1 1 15  4   29 o 21.899  2.4817  69.705    13.620    46.865    18.798    94.945    19.761    17.777  4.0397  26.022  2.8836  -8.245310      4.963308 
1 1 1 15  4   30 o 11.265  2.6846  15.653    10.324    27.380    14.948    4.9570    14.276    13.579  3.9025  8.9507  3.6877  4.628222       5.369225 
1 1 1 15  4   31 o 54.002  2.1479  413.502   30.731    353.565   42.967    476.267   43.970    49.745  3.2425  58.258  2.8178  -8.513023      4.295756 
1 1 1 15  4   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  4   33 o 7.1710  2.2708  -5.7644   9.2376    2.1422    13.342    -13.0446  12.803    8.1634  3.4762  6.1787  2.9227  1.984708       4.541642 
1 1 1 15  4   34 o 20.116  2.8447  64.102    14.862    90.468    21.233    38.778    20.809    24.775  3.2803  15.457  4.6485  9.318050       5.689351 
1 1 1 15  4   35 o 8.9621  2.5663  3.9452    10.537    -9.5009   15.200    16.384    14.620    7.1482  3.3170  10.776  3.9167  -3.627705      5.132530 
1 1 1 15  4   36 o 11.929  2.9729  22.382    12.004    17.054    17.211    27.429    16.752    10.951  4.1946  12.907  4.2140  -1.955277      5.945788 
1 1 1 15  5   0  o 145.089 3.0211  2828.86   117.344   2925.75   165.642   2731.24   166.258   147.592 4.1900  142.585 4.3533  5.006821       6.042150 
1 1 1 15  5   1  o 184.554 3.6580  4586.30   180.597   4843.84   255.114   4327.58   255.692   189.777 5.0188  179.331 5.3232  10.44569       7.316057 
1 1 1 15  5   2  o 47.831  1.7323  307.535   22.117    308.855   31.122    306.189   31.436    47.937  2.4318  47.726  2.4676  0.2104378      3.464516 
1 1 1 15  5   3  o 152.982 3.1467  3145.53   128.936   3163.20   181.900   3127.70   182.790   153.417 4.4266  152.548 4.4736  0.8689880      6.293487 
1 1 1 15  5   4  o 85.436  2.1659  979.232   49.548    946.398   69.768    1012.65   70.380    83.989  3.1013  86.883  3.0243  -2.893600      4.331810 
1 1 1 15  5   5  o 324.510 6.1643  14308.06  535.711   14005.34  757.185   14611.46  758.035   321.026 8.8059  327.994 8.6285  -6.968140      12.32860 
1 1 1 15  5   6  o 157.673 3.2635  3343.59   137.804   3411.08   194.982   3276.24   194.788   159.270 4.5706  156.077 4.6594  3.192261       6.526919 
1 1 1 15  5   7  o 120.416 2.6722  1947.52   86.182    1928.39   122.015   1966.57   121.746   119.823 3.8018  121.008 3.7562  -1.184731      5.344394 
1 1 1 15  5   8  o 120.745 2.6705  1958.58   86.348    1914.68   122.246   2002.29   121.983   119.390 3.8228  122.099 3.7299  -2.709473      5.340950 
1 1 1 15  5   9  o 113.082 2.5537  1717.45   77.346    1702.49   109.541   1732.32   109.226   112.589 3.6324  113.575 3.5905  -0.9858246     5.107436 
1 1 1 15  5   10 o 99.083  2.3901  1318.53   63.392    1376.28   89.914    1261.44   89.389    101.245 3.3156  96.920  3.4434  4.325706       4.780174 
1 1 1 15  5   11 o 120.533 2.6312  1952.47   84.945    1964.39   120.258   1940.59   120.003   120.901 3.7136  120.165 3.7284  0.7363281      5.262303 
1 1 1 15  5   12 o 30.164  1.8465  123.062   14.747    131.423   20.957    114.862   20.755    31.196  2.5299  29.133  2.6902  2.063049       3.692906 
1 1 1 15  5   13 o 190.342 4.7925  4927.44   228.939   4931.12   279.013   4919.87   400.522   190.951 5.4552  189.733 7.8812  1.217880       9.585075 
1 1 1 15  5   14 o 17.311  3.9846  41.989    18.093    0.0000    0.0000    41.989    18.093    ?       ?       17.311  3.9846  ?              ?        
1 1 1 15  5   15 o 73.156  2.0745  719.725   40.631    693.289   57.325    746.414   57.598    71.802  2.9807  74.511  2.8860  -2.709801      4.148949 
1 1 1 15  5   16 o 18.089  2.2846  47.139    10.390    28.341    14.779    65.513    14.611    14.244  3.8025  21.934  2.5337  -7.689997      4.569252 
1 1 1 15  5   17 o 97.578  2.3946  1285.02   62.577    1258.22   88.274    1312.09   88.721    96.549  3.4135  98.606  3.3592  -2.057091      4.789153 
1 1 1 15  5   18 o 36.731  1.8705  182.876   18.241    195.922   25.805    169.848   25.787    38.063  2.5458  35.399  2.7411  2.664253       3.740960 
1 1 1 15  5   19 o 40.940  1.8669  227.117   20.346    235.656   28.642    218.420   28.906    41.731  2.5750  40.149  2.7037  1.582451       3.733708 
1 1 1 15  5   20 o 84.363  2.2275  964.516   50.310    926.349   70.834    1003.37   71.468    82.663  3.1992  86.063  3.1003  -3.399551      4.454972 
1 1 1 15  5   21 o 40.249  1.8899  220.044   20.257    216.984   28.531    223.155   28.767    39.964  2.6809  40.535  2.6645  -0.5702171     3.779733 
1 1 1 15  5   22 o 15.665  2.4051  34.782    9.8215    29.566    13.832    40.086    13.948    14.432  3.5924  16.897  3.1989  -2.465148      4.810220 
1 1 1 15  5   23 o 33.662  3.5682  156.822   31.682    156.822   31.682    0.0000    0.0000    33.662  3.5682  ?       ?       ?              ?        
1 1 1 15  5   24 o 20.585  2.2439  59.190    11.972    57.856    16.918    60.528    16.945    20.338  3.2122  20.833  3.1339  -0.4945831     4.487703 
1 1 1 15  5   25 o 26.963  2.1199  101.171   14.895    115.358   21.013    86.844    21.117    28.966  2.7410  24.961  3.2346  4.005447       4.239782 
1 1 1 15  5   26 o 8.8467  2.3031  4.9494    8.3473    -8.3579   12.076    17.126    11.552    6.5570  3.0116  11.137  3.4852  -4.579530      4.606112 
1 1 1 15  5   27 o 4.6996  1.6162  -17.0960  6.5977    -10.8321  8.9972    -24.3826  9.7040    5.1137  2.4281  4.2855  2.1336  0.8282795      3.232327 
1 1 1 15  5   28 o 20.084  2.5259  58.485    13.002    47.514    18.210    69.896    18.571    17.985  3.8930  22.184  3.2195  -4.198961      5.051792 
1 1 1 15  5   29 o 26.700  2.2367  101.108   15.582    88.106    21.586    115.255   22.515    24.807  3.3330  28.592  2.9838  -3.785318      4.473473 
1 1 1 15  5   30 o 23.157  2.4217  77.834    14.540    72.025    20.321    83.928    20.814    22.200  3.5360  24.114  3.3097  -1.913950      4.843302 
1 1 1 15  5   31 o 10.112  3.8701  11.704    14.643    11.704    14.643    0.0000    0.0000    10.112  3.8701  ?       ?       ?              ?        
1 1 1 15  5   32 o 9.5647  2.5728  5.7507    10.296    21.291    14.927    -8.3496   14.219    12.037  3.9802  7.0918  3.2612  4.945639       5.145573 
1 1 1 15  5   33 o 10.034  2.7920  10.932    11.013    10.264    15.814    11.560    15.345    9.9622  3.9605  10.106  3.9364  -0.1442919     5.584024 
1 1 1 15  5   34 o 14.321  3.0781  32.843    12.928    37.476    18.500    28.422    18.072    15.240  4.3291  13.402  4.3769  1.837899       6.156154 
1 1 1 15  5   35 o 15.232  3.0691  38.442    13.296    46.289    19.142    31.128    18.481    16.755  4.2567  13.709  4.4224  3.045767       6.138215 
1 1 1 15  6   0  o 166.373 3.3575  3721.83   149.601   3775.28   211.133   3667.94   212.006   167.579 4.7038  165.168 4.7922  2.411392       6.714965 
1 1 1 15  6   1  o 158.601 3.2149  3385.82   136.309   3620.00   192.461   3150.13   193.081   164.132 4.3778  153.069 4.7094  11.06256       6.429894 
1 1 1 15  6   2  o 17.415  1.9720  42.093    8.7485    51.834    12.460    32.622    12.286    19.512  2.4374  15.319  3.1007  4.192695       3.944018 
1 1 1 15  6   3  o 110.183 2.4956  1629.52   73.647    1603.74   103.735   1655.73   104.575   109.303 3.5433  111.063 3.5154  -1.759628      4.991248 
1 1 1 15  6   4  o 220.485 4.3154  6556.41   254.848   6520.48   360.021   6592.51   360.799   219.877 6.1131  221.093 6.0926  -1.216309      8.630708 
1 1 1 15  6   5  o 79.569  2.1552  849.393   45.931    837.833   64.751    861.100   65.164    79.024  3.0591  80.114  3.0368  -1.090797      4.310480 
1 1 1 15  6   6  o 135.738 2.9041  2476.11   105.559   2408.91   149.167   2543.52   149.398   133.887 4.1595  137.589 4.0539  -3.701874      5.808249 
1 1 1 15  6   7  o 68.577  2.0272  630.991   37.228    617.412   52.717    644.500   52.580    67.840  2.9012  69.315  2.8321  -1.475029      4.054356 
1 1 1 15  6   8  o 131.332 2.8310  2317.94   99.580    2353.00   141.048   2283.10   140.606   132.325 3.9796  130.339 4.0275  1.985672       5.661989 
1 1 1 15  6   9  o 110.043 2.5370  1626.95   74.738    1694.21   105.946   1560.32   105.446   112.313 3.5218  107.772 3.6528  4.541000       5.074082 
1 1 1 15  6   10 o 112.397 2.5778  1698.18   77.566    1637.92   109.758   1758.31   109.632   110.397 3.7118  114.396 3.5780  -3.999611      5.155541 
1 1 1 15  6   11 o 162.838 3.3220  3573.65   144.891   3578.03   205.030   3569.28   204.785   162.938 4.6979  162.738 4.6981  0.1995544      6.643970 
1 1 1 15  6   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  6   13 o 165.716 3.3576  3710.62   149.018   3652.76   210.690   3768.54   210.797   164.412 4.7843  167.020 4.7120  -2.607697      6.715138 
1 1 1 15  6   14 o 104.249 2.4657  1463.74   68.846    1482.46   97.402    1445.05   97.323    104.919 3.4660  103.580 3.5079  1.339226       4.931379 
1 1 1 15  6   15 o 33.968  1.8607  156.031   16.792    160.879   23.854    151.269   23.642    34.498  2.6007  33.438  2.6617  1.059929       3.721319 
1 1 1 15  6   16 o 141.231 3.0418  2705.26   115.001   2808.84   162.674   2601.77   162.599   143.967 4.2186  138.494 4.3833  5.473145       6.083528 
1 1 1 15  6   17 o 89.881  2.3072  1091.30   55.544    1083.55   78.512    1099.06   78.589    89.560  3.2729  90.203  3.2527  -0.6434250     4.614360 
1 1 1 15  6   18 o 51.673  1.8846  360.664   26.026    350.908   36.846    370.380   36.768    50.934  2.7105  52.413  2.6191  -1.478912      3.769168 
1 1 1 15  6   19 o 60.035  1.9684  487.157   31.646    497.611   44.663    476.618   44.845    60.689  2.7476  59.381  2.8195  1.307671       3.936836 
1 1 1 15  6   20 o 24.145  2.0250  80.028    12.836    77.999    18.188    82.041    18.117    23.826  2.9105  24.463  2.8163  -0.6371574     4.049989 
1 1 1 15  6   21 o 17.072  2.4167  41.231    10.659    33.445    14.954    49.273    15.198    15.344  3.6850  18.801  3.1278  -3.456747      4.833468 
1 1 1 15  6   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  6   23 o 28.679  2.0395  113.248   15.417    119.189   21.563    107.034   22.052    29.487  2.7623  27.871  3.0014  1.616596       4.079055 
1 1 1 15  6   24 o 29.857  2.0006  122.684   15.794    127.667   22.281    117.652   22.391    30.491  2.7581  29.223  2.8989  1.268343       4.001288 
1 1 1 15  6   25 o 44.668  1.9938  273.906   23.728    268.738   33.156    279.331   33.970    44.238  2.8129  45.099  2.8264  -0.8612938     3.987601 
1 1 1 15  6   26 o 11.783  2.6735  19.185    9.5613    18.868    13.502    19.504    13.541    11.707  3.7804  11.859  3.7813  -0.1518641     5.346964 
1 1 1 15  6   27 o 12.800  2.7952  23.433    10.561    24.847    14.850    21.985    15.023    13.119  3.9227  12.481  3.9832  0.6377687      5.590425 
1 1 1 15  6   28 o 10.326  2.6567  11.875    9.8103    19.536    14.420    5.2742    13.386    11.828  3.9120  8.8250  3.5957  3.002894       5.313471 
1 1 1 15  6   29 o 12.718  2.7057  22.450    10.764    35.948    15.532    9.9758    14.931    15.513  3.7741  9.9232  3.8780  5.589538       5.411350 
1 1 1 15  6   30 o 15.029  4.0721  34.442    16.800    34.442    16.800    0.0000    0.0000    15.029  4.0721  ?       ?       ?              ?        
1 1 1 15  6   31 o 17.196  2.8194  45.203    12.813    53.905    18.384    36.984    17.867    18.935  3.7576  15.456  4.2043  3.478218       5.638770 
1 1 1 15  6   32 o 10.764  2.5266  9.9191    10.768    -12.2333  15.147    32.549    15.310    6.9663  3.2587  14.561  3.8621  -7.594778      5.053194 
1 1 1 15  6   33 o 10.584  2.6887  11.205    11.072    -4.4455   15.406    27.918    15.921    7.7891  3.5079  13.379  4.0756  -5.590089      5.377359 
1 1 1 15  6   34 o 9.1027  2.6827  6.2278    10.917    3.2381    15.849    8.9272    15.060    8.7556  3.7600  9.4498  3.8274  -0.6942396     5.365369 
1 1 1 15  7   0  o 71.805  1.9482  691.392   37.467    681.654   52.759    701.298   53.215    71.295  2.7628  72.315  2.7473  -1.020554      3.896305 
1 1 1 15  7   1  o 157.905 3.1936  3354.66   134.915   3531.92   190.438   3176.06   191.162   162.113 4.3858  153.697 4.6435  8.416107       6.387287 
1 1 1 15  7   2  f 117.003 2.6164  1840.20   81.872    1948.03   115.475   1731.21   116.097   120.463 3.5789  113.543 3.8174  6.919991       5.232702 
1 1 1 15  7   3  o 135.569 2.8722  2468.98   104.295   2453.77   147.035   2484.37   147.960   135.149 4.0618  135.989 4.0621  -0.8398285     5.744472 
1 1 1 15  7   4  o 83.252  2.1924  930.101   48.879    945.394   68.893    914.599   69.362    83.943  3.0641  82.561  3.1366  1.382072       4.384806 
1 1 1 15  7   5  o 139.174 2.9832  2603.11   111.206   2584.44   157.034   2621.90   157.505   138.672 4.2278  139.675 4.2100  -1.003311      5.966466 
1 1 1 15  7   6  f 92.880  2.3096  1157.87   57.459    1154.25   81.175    1161.50   81.343    92.735  3.2681  93.026  3.2646  -0.2910309     4.619279 
1 1 1 15  7   7  o 128.972 2.7963  2235.89   96.555    2158.05   136.507   2313.81   136.592   126.717 4.0219  131.226 3.8861  -4.508705      5.592628 
1 1 1 15  7   8  o 66.075  2.0196  585.926   35.737    575.910   50.703    595.815   50.378    65.512  2.8895  66.637  2.8225  -1.125488      4.039259 
1 1 1 15  7   9  o 25.163  1.9067  85.924    12.650    86.354    18.001    85.505    17.780    25.225  2.7066  25.102  2.6862  0.1229115      3.813339 
1 1 1 15  7   10 o 95.006  3.0904  1245.73   72.239    1294.42   87.662    1142.69   127.520   98.151  3.3345  91.860  5.2041  6.290840       6.180745 
1 1 1 15  7   11 o 142.414 6.0037  2749.92   229.015   0.0000    0.0000    2749.92   229.015   ?       ?       142.414 6.0037  ?              ?        
1 1 1 15  7   12 o 34.828  1.8922  164.021   17.498    158.382   24.986    169.449   24.514    34.228  2.7485  35.428  2.6015  -1.199699      3.784489 
1 1 1 15  7   13 o 52.004  1.9489  364.494   27.050    364.503   38.289    364.486   38.220    52.004  2.7587  52.004  2.7537  0.5874634E-03  3.897854 
1 1 1 15  7   14 o 15.116  2.3405  32.591    9.2436    24.909    13.538    39.299    12.651    13.379  3.6683  16.854  2.9076  -3.474979      4.680905 
1 1 1 15  7   15 o 32.493  1.8577  142.953   16.027    143.799   22.903    142.140   22.434    32.585  2.6471  32.401  2.6071  0.1841774      3.715365 
1 1 1 15  7   16 o 61.847  2.0009  515.571   33.144    522.809   47.079    508.459   46.668    62.279  2.8223  61.416  2.8369  0.8627396      4.001704 
1 1 1 15  7   17 o 85.465  2.2443  987.837   51.375    982.403   72.629    993.279   72.680    85.228  3.1816  85.702  3.1662  -0.4745102     4.488528 
1 1 1 15  7   18 o 44.660  1.8752  270.206   22.328    265.858   31.540    274.574   31.614    44.295  2.6709  45.025  2.6329  -0.7301598     3.750458 
1 1 1 15  7   19 o 38.475  1.9169  201.133   19.627    199.085   27.642    203.215   27.874    38.276  2.7138  38.674  2.7080  -0.3980751     3.833826 
1 1 1 15  7   20 o 52.011  1.9443  367.292   26.952    335.263   37.909    400.031   38.327    49.651  2.8627  54.372  2.6317  -4.721775      3.888534 
1 1 1 15  7   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  7   22 o 63.701  2.0525  552.196   35.009    534.240   49.257    570.527   49.768    62.643  2.9357  64.759  2.8692  -2.116112      4.104929 
1 1 1 15  7   23 o 67.978  2.1227  631.213   38.639    610.822   54.297    652.132   54.997    66.853  3.0323  69.104  2.9713  -2.251305      4.245401 
1 1 1 15  7   24 o 49.237  1.9959  332.740   26.188    345.730   36.851    319.485   37.223    50.242  2.7488  48.233  2.8946  2.008686       3.991855 
1 1 1 15  7   25 o 19.879  2.4168  56.380    12.373    51.713    17.651    60.888    17.349    18.989  3.6022  20.769  3.2231  -1.779547      4.833635 
1 1 1 15  7   26 o 20.796  2.4770  62.015    13.282    60.787    19.286    63.123    18.319    20.546  3.6377  21.047  3.3628  -0.5012760     4.953931 
1 1 1 15  7   27 o 18.508  2.6340  50.286    12.615    65.922    18.243    35.958    17.463    21.478  3.2746  15.537  4.1266  5.941633       5.267995 
1 1 1 15  7   28 o 10.809  2.6949  15.157    9.8198    11.332    13.877    18.995    13.898    9.9998  3.7816  11.617  3.8404  -1.617591      5.389777 
1 1 1 15  7   29 o 21.671  3.4809  68.617    19.521    68.617    19.521    0.0000    0.0000    21.671  3.4809  ?       ?       ?              ?        
1 1 1 15  7   30 o 31.556  2.2275  142.880   18.575    142.923   26.297    142.838   26.243    31.559  3.1532  31.553  3.1471  0.5542755E-02  4.454988 
1 1 1 15  7   31 o 13.043  2.9926  25.647    11.995    23.308    17.371    27.779    16.584    12.594  4.2950  13.492  4.1683  -0.8980389     5.985134 
1 1 1 15  7   32 o 10.959  2.7562  12.184    11.620    30.291    16.840    -4.2763   16.056    13.922  4.1805  7.9960  3.5930  5.926164       5.512363 
1 1 1 15  7   33 o 8.2556  2.5049  1.3545    10.074    -3.7624   13.953    6.9254    14.559    7.4375  3.3450  9.0736  3.7296  -1.636075      5.009866 
1 1 1 15  8   0  o 158.099 3.2029  3362.08   135.525   3505.45   191.314   3217.67   192.010   161.498 4.4227  154.700 4.6339  6.798065       6.405736 
1 1 1 15  8   1  o 137.893 2.8976  2558.36   106.801   2738.90   150.731   2376.34   151.350   142.802 3.9408  132.984 4.2491  9.818069       5.795189 
1 1 1 15  8   2  o 193.503 3.7752  5042.81   195.607   5171.73   276.124   4912.94   277.138   196.001 5.2596  191.004 5.4171  4.996735       7.550391 
1 1 1 15  8   3  o 162.485 3.3126  3550.74   144.152   3479.97   203.297   3622.29   204.430   160.852 4.7186  164.118 4.6505  -3.266434      6.625150 
1 1 1 15  8   4  o 51.083  1.8669  350.474   25.477    334.245   35.843    367.047   36.220    49.849  2.6945  52.317  2.5848  -2.467808      3.733794 
1 1 1 15  8   5  o 274.315 5.3177  10197.87  390.709   10282.36  552.351   10113.26  552.742   275.467 7.4861  273.164 7.5546  2.303711       10.63548 
1 1 1 15  8   6  o 121.585 2.7359  1986.46   89.097    1992.05   125.888   1980.85   126.115   121.757 3.8601  121.412 3.8781  0.3445969      5.471748 
1 1 1 15  8   7  o 191.601 3.8870  4952.82   199.478   4967.67   282.158   4937.99   282.052   191.890 5.4897  191.312 5.5043  0.5776672      7.773929 
1 1 1 15  8   8  o 81.006  2.2033  881.116   47.801    899.815   67.797    862.632   67.406    81.862  3.0920  80.150  3.1398  1.712479       4.406680 
1 1 1 15  8   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  8   10 o 27.948  1.9245  105.827   14.221    108.005   20.392    103.765   19.841    28.230  2.7310  27.667  2.7123  0.5626907      3.849042 
1 1 1 15  8   11 o 94.395  2.3614  1199.16   59.684    1163.20   84.445    1235.06   84.366    92.974  3.3910  95.816  3.2873  -2.842461      4.722826 
1 1 1 15  8   12 o 80.750  2.2103  877.419   47.797    900.039   67.823    855.100   67.369    81.788  3.0960  79.713  3.1553  2.075157       4.420542 
1 1 1 15  8   13 o 31.763  1.8957  136.658   15.971    135.687   22.864    137.583   22.319    31.647  2.7238  31.880  2.6375  -0.2330780     3.791499 
1 1 1 15  8   14 o 30.872  1.8875  129.234   15.448    128.145   22.096    130.275   21.606    30.737  2.7116  31.006  2.6263  -0.2685089     3.774974 
1 1 1 15  8   15 o 30.362  1.8974  124.934   15.236    136.575   22.008    114.219   21.114    31.739  2.6120  28.985  2.7527  2.754076       3.794722 
1 1 1 15  8   16 o 74.542  2.1338  750.883   42.585    779.829   60.439    722.343   60.014    75.980  2.9698  73.105  3.0649  2.874512       4.267691 
1 1 1 15  8   17 f 29.757  1.9471  120.543   15.305    131.573   21.962    110.130   21.339    31.107  2.6616  28.407  2.8427  2.699631       3.894221 
1 1 1 15  8   18 o 35.996  1.9162  176.195   18.334    171.765   25.940    180.618   25.917    35.534  2.7468  36.458  2.6726  -0.9243050     3.832470 
1 1 1 15  8   19 o 25.922  2.0216  92.572    13.654    106.909   19.389    78.467    19.232    27.995  2.6162  23.850  3.0827  4.144949       4.043164 
1 1 1 15  8   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  8   21 o 94.858  2.4320  1232.08   61.731    1163.68   86.818    1302.02   87.791    92.147  3.5175  97.569  3.3593  -5.421280      4.863929 
1 1 1 15  8   22 o 40.631  1.9710  225.829   21.320    227.022   30.231    224.649   30.072    40.738  2.7873  40.523  2.7875  0.2145729      3.941973 
1 1 1 15  8   23 o 39.318  2.0043  212.314   20.946    200.774   29.422    224.174   29.827    38.208  2.8965  40.428  2.7712  -2.219982      4.008626 
1 1 1 15  8   24 o 23.656  2.2708  78.553    14.012    77.845    19.993    79.236    19.644    23.534  3.2592  23.778  3.1629  -0.2443085     4.541661 
1 1 1 15  8   25 o 34.650  2.0912  166.960   19.213    170.938   27.014    162.888   27.331    35.094  2.8998  34.205  3.0139  0.8893700      4.182392 
1 1 1 15  8   26 o 25.654  2.2876  93.248    15.328    85.623    21.442    101.216   21.919    24.516  3.3532  26.791  3.1125  -2.274981      4.575109 
1 1 1 15  8   27 o 9.8173  2.6389  10.417    9.6462    13.280    13.738    7.6318    13.548    10.380  3.7930  9.2545  3.6700  1.125698       5.277867 
1 1 1 15  8   28 o 42.673  2.9581  256.826   33.602    256.826   33.602    0.0000    0.0000    42.673  2.9581  ?       ?       ?              ?        
1 1 1 15  8   29 o 29.249  2.2546  122.790   17.373    119.836   24.383    125.835   24.761    28.877  3.2066  29.620  3.1702  -0.7431087     4.509126 
1 1 1 15  8   30 o 27.743  2.3440  111.676   17.070    110.736   23.873    112.658   24.417    27.638  3.2895  27.847  3.3402  -0.2095146     4.688073 
1 1 1 15  8   31 o 14.021  2.9983  29.828    13.048    15.910    18.425    43.832    18.481    11.289  4.3362  16.753  4.1420  -5.463945      5.996593 
1 1 1 15  8   32 o 15.731  2.9427  39.329    13.318    56.229    19.074    23.250    18.604    19.030  3.8737  12.431  4.4309  6.598846       5.885456 
1 1 1 15  9   0  o 100.638 2.3438  1359.95   63.137    1411.65   89.061    1307.71   89.520    102.567 3.2418  98.710  3.3859  3.857224       4.687599 
1 1 1 15  9   1  o 238.749 4.5744  7701.50   292.171   8130.55   412.929   7271.34   413.455   245.469 6.2804  232.030 6.6527  13.43840       9.148871 
1 1 1 15  9   2  o 142.143 2.9771  2717.57   113.232   2847.12   159.744   2586.74   160.527   145.564 4.0972  138.722 4.3203  6.841583       5.954137 
1 1 1 15  9   3  o 77.656  2.0896  809.357   43.450    827.045   61.159    791.331   61.739    78.515  2.9081  76.797  3.0014  1.718330       4.179208 
1 1 1 15  9   4  o 152.734 3.1756  3138.03   129.891   3062.79   183.237   3214.03   184.154   150.887 4.5339  154.580 4.4477  -3.693771      6.351272 
1 1 1 15  9   5  o 223.008 4.4038  6721.94   263.009   6575.18   371.562   6869.31   372.340   220.548 6.2899  225.467 6.1655  -4.919800      8.807690 
1 1 1 15  9   6  o 113.871 3.2783  1752.69   93.339    1764.51   113.480   1727.98   164.116   114.581 3.6976  113.161 5.4146  1.420647       6.556658 
1 1 1 15  9   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  9   8  o 134.170 2.9709  2425.00   106.767   2440.29   151.129   2409.77   150.853   134.594 4.1921  133.746 4.2110  0.8478241      5.941898 
1 1 1 15  9   9  o 57.134  1.9644  438.448   30.061    443.553   42.626    433.398   42.399    57.466  2.7693  56.803  2.7867  0.6626778      3.928747 
1 1 1 15  9   10 o 16.503  2.4719  38.165    10.592    42.398    14.900    33.839    15.061    17.466  3.3059  15.540  3.6758  1.926020       4.943798 
1 1 1 15  9   11 o 64.365  2.0461  557.226   35.274    555.141   50.002    559.292   49.769    64.244  2.9058  64.486  2.8814  -0.2420883     4.092194 
1 1 1 15  9   12 o 10.856  2.4387  15.458    8.0339    12.528    11.271    18.485    11.455    10.087  3.4595  11.624  3.4382  -1.537008      4.877408 
1 1 1 15  9   13 o 24.253  2.0012  80.373    12.686    89.963    18.126    71.166    17.762    25.716  2.6705  22.789  2.9813  2.926727       4.002466 
1 1 1 15  9   14 o 16.425  2.3290  37.966    9.8720    33.807    14.266    41.787    13.675    15.504  3.5163  17.345  3.0550  -1.841394      4.658029 
1 1 1 15  9   15 o 31.640  1.8986  135.952   15.934    139.940   22.720    132.092   22.354    32.103  2.6663  31.177  2.7037  0.9256382      3.797252 
1 1 1 15  9   16 o 83.257  2.2410  939.355   49.955    909.544   70.657    969.149   70.637    81.920  3.2201  84.593  3.1175  -2.673164      4.481991 
1 1 1 15  9   17 o 32.102  1.9335  140.411   16.458    137.744   23.510    142.974   23.047    31.790  2.7892  32.414  2.6785  -0.6235695     3.867074 
1 1 1 15  9   18 o 33.262  1.9400  150.719   17.105    161.500   24.477    140.427   23.914    34.447  2.6739  32.078  2.8116  2.368118       3.880053 
1 1 1 15  9   19 o 33.496  3.5294  154.904   31.189    0.0000    0.0000    154.904   31.189    ?       ?       33.496  3.5294  ?              ?        
1 1 1 15  9   20 o 72.808  2.1788  722.478   42.489    716.137   59.923    728.890   60.255    72.485  3.0865  73.132  3.0761  -0.6468735     4.357584 
1 1 1 15  9   21 o 36.925  1.9889  186.751   19.518    182.145   27.599    191.360   27.605    36.456  2.8491  37.393  2.7760  -0.9371452     3.977842 
1 1 1 15  9   22 o 50.650  2.0219  351.722   27.317    357.440   38.666    346.024   38.598    51.071  2.8377  50.229  2.8810  0.8420029      4.043849 
1 1 1 15  9   23 o 20.398  2.4722  59.327    12.967    51.621    18.239    67.202    18.437    18.950  3.7262  21.846  3.2499  -2.896019      4.944354 
1 1 1 15  9   24 o 25.079  2.2868  88.579    14.971    95.231    21.347    82.141    21.002    26.060  3.1202  24.098  3.3439  1.962517       4.573581 
1 1 1 15  9   25 o 36.333  2.0847  184.376   20.077    173.052   28.439    195.628   28.348    35.163  3.0497  37.504  2.8432  -2.340847      4.169452 
1 1 1 15  9   26 o 38.365  2.1381  207.272   21.655    233.802   30.835    181.452   30.419    40.916  2.8310  35.814  3.2050  5.101753       4.276258 
1 1 1 15  9   27 o 11.922  4.1897  19.415    16.580    19.415    16.580    0.0000    0.0000    11.922  4.1897  ?       ?       ?              ?        
1 1 1 15  9   28 o 23.232  2.5205  78.846    15.151    86.287    21.962    72.089    20.928    24.345  3.4658  22.119  3.6605  2.226870       5.040919 
1 1 1 15  9   29 f 15.656  2.8960  36.989    12.789    52.478    18.650    23.241    17.570    18.660  3.8587  12.651  4.3195  6.009212       5.792058 
1 1 1 15  9   30 o 15.583  2.9386  37.631    13.133    52.923    18.730    22.839    18.421    18.632  3.8792  12.533  4.4152  6.098905       5.877208 
1 1 1 15  9   31 o 13.282  2.9395  26.851    12.166    16.277    17.011    37.925    17.408    11.092  4.1888  15.472  4.1252  -4.380279      5.879005 
1 1 1 15  10  0  o 80.472  2.0739  868.837   44.698    879.630   63.045    857.929   63.380    80.976  2.9067  79.968  2.9590  1.007561       4.147895 
1 1 1 15  10  1  o 51.728  1.8422  359.645   25.440    381.132   36.004    338.220   35.951    53.311  2.5214  50.145  2.6865  3.166824       3.684361 
1 1 1 15  10  2  o 29.671  1.8733  119.462   14.632    134.490   20.723    104.521   20.663    31.572  2.4702  27.770  2.8169  3.801834       3.746577 
1 1 1 15  10  3  o 139.884 2.9502  2631.17   110.525   2578.09   155.753   2685.01   156.864   138.459 4.1998  141.309 4.1444  -2.849594      5.900383 
1 1 1 15  10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  10  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  10  6  o 115.030 2.6572  1780.04   81.870    1781.15   115.618   1778.92   115.945   115.067 3.7513  114.993 3.7644  0.7393646E-01  5.314421 
1 1 1 15  10  7  o 91.226  2.3455  1119.22   57.284    1076.98   80.876    1161.75   81.147    89.492  3.3740  92.960  3.2590  -3.468231      4.690963 
1 1 1 15  10  8  o 123.432 2.8139  2053.65   93.027    2072.20   131.657   2035.16   131.465   123.992 3.9643  122.872 3.9945  1.119469       5.627762 
1 1 1 15  10  9  o 25.025  2.0529  85.243    13.488    90.876    19.375    79.948    18.787    25.845  2.8460  24.205  2.9594  1.640476       4.105839 
1 1 1 15  10  10 o 81.667  2.2410  898.203   49.014    887.381   69.498    908.913   69.137    81.173  3.1965  82.160  3.1417  -0.9866791     4.481900 
1 1 1 15  10  11 o 26.232  1.9819  93.853    13.670    87.212    19.443    100.344   19.224    25.283  2.9250  27.181  2.6752  -1.897362      3.963882 
1 1 1 15  10  12 o 28.092  1.9563  107.286   14.517    112.964   20.716    101.807   20.348    28.837  2.7139  27.347  2.8184  1.490284       3.912635 
1 1 1 15  10  13 o 36.191  1.8939  177.672   18.205    169.152   25.892    186.002   25.602    35.315  2.7592  37.068  2.5950  -1.752895      3.787780 
1 1 1 15  10  14 o 25.534  2.0321  89.987    13.427    73.516    19.036    106.296   18.942    23.104  3.1589  27.964  2.5572  -4.860790      4.064229 
1 1 1 15  10  15 o 58.227  2.0170  458.396   31.457    459.152   44.666    457.651   44.310    58.273  2.8617  58.181  2.8433  0.9180069E-01  4.034093 
1 1 1 15  10  16 o 58.680  2.0367  466.826   31.932    488.613   45.343    445.389   44.977    60.089  2.8173  57.270  2.9420  2.818745       4.073348 
1 1 1 15  10  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  10  18 o 32.996  1.9994  148.672   17.429    166.087   25.069    132.380   24.248    34.907  2.7023  31.086  2.9475  3.820774       3.998744 
1 1 1 15  10  19 f 69.485  2.1400  657.835   39.800    626.917   56.131    689.096   56.442    67.818  3.0901  71.153  2.9616  -3.334351      4.280098 
1 1 1 15  10  20 o 33.158  2.0425  150.898   17.939    160.250   25.647    141.940   25.101    34.188  2.8260  32.128  2.9498  2.059769       4.085056 
1 1 1 15  10  21 o 58.039  2.0893  461.605   32.418    470.770   45.917    452.497   45.774    58.663  2.9223  57.414  2.9868  1.248524       4.178617 
1 1 1 15  10  22 o 51.750  2.0637  368.685   28.487    363.944   40.098    373.517   40.479    51.410  2.9240  52.089  2.9129  -0.6791878     4.127369 
1 1 1 15  10  23 o 23.638  2.3488  79.019    14.455    77.251    20.517    80.762    20.369    23.350  3.3787  23.926  3.2636  -0.5760708     4.697533 
1 1 1 15  10  24 o 25.664  2.2983  93.347    15.361    103.855   21.888    83.148    21.562    27.185  3.0590  24.143  3.4309  3.042261       4.596591 
1 1 1 15  10  25 o 19.531  2.6236  55.742    13.212    61.046    19.114    50.888    18.284    20.478  3.6170  18.584  3.8013  1.894499       5.247161 
1 1 1 15  10  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  10  27 o 26.425  2.3895  101.190   16.376    114.608   23.215    87.900    23.104    28.340  3.1094  24.510  3.6290  3.830034       4.778923 
1 1 1 15  10  28 o 18.345  2.8549  51.072    13.720    62.544    19.799    40.474    19.030    20.501  3.7436  16.190  4.3114  4.310801       5.709884 
1 1 1 15  10  29 o 17.257  3.0269  46.406    13.953    41.747    19.442    51.354    20.035    16.312  4.3644  18.203  4.1954  -1.891260      6.053865 
1 1 1 15  10  30 o 20.235  2.8456  63.470    14.878    64.913    21.242    62.080    20.846    20.471  4.0176  19.999  4.0309  0.4717236      5.691156 
1 1 1 15  11  0  o 203.206 3.9679  5576.38   215.582   5948.76   304.593   5202.60   305.165   210.062 5.4136  196.350 5.8025  13.71172       7.935728 
1 1 1 15  11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  11  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  11  3  o 58.312  1.9335  456.356   30.191    442.652   42.553    470.246   42.842    57.429  2.7664  59.195  2.7021  -1.765934      3.867084 
1 1 1 15  11  4  o 204.702 4.0465  5671.41   221.729   5430.67   312.888   5914.26   314.262   200.296 5.8321  209.107 5.6109  -8.810684      8.092969 
1 1 1 15  11  5  o 83.787  2.2330  943.641   50.104    960.914   70.704    926.217   71.012    84.560  3.1217  83.013  3.1937  1.547325       4.465976 
1 1 1 15  11  6  o 30.146  1.9633  123.034   15.657    115.743   21.876    130.691   22.419    29.216  2.8310  31.075  2.7209  -1.859339      3.926545 
1 1 1 15  11  7  o 111.420 2.6239  1672.90   78.301    1649.03   110.598   1696.88   110.872   110.619 3.7327  112.221 3.6886  -1.601768      5.247747 
1 1 1 15  11  8  o 53.737  1.9645  389.328   28.176    394.895   39.794    383.732   39.901    54.127  2.7539  53.348  2.8022  0.7786446      3.928937 
1 1 1 15  11  9  o 59.908  2.0143  483.004   32.313    496.984   45.819    469.171   45.578    60.774  2.8147  59.043  2.8820  1.731739       4.028504 
1 1 1 15  11  10 o 58.237  2.0119  457.670   31.298    436.829   44.365    478.315   44.158    56.870  2.9224  59.604  2.7659  -2.734470      4.023791 
1 1 1 15  11  11 o 82.938  2.2523  928.779   50.033    940.353   70.906    917.302   70.609    83.456  3.1720  82.421  3.1984  1.034805       4.504602 
1 1 1 15  11  12 o 7.1176  2.0175  0.3523    6.3915    8.6612    9.2881    -7.1211   8.8087    8.7142  3.1281  5.5209  2.5489  3.193277       4.035068 
1 1 1 15  11  13 o 33.821  1.9780  155.601   17.738    163.541   25.088    147.663   25.084    34.704  2.7208  32.939  2.8719  1.765179       3.956020 
1 1 1 15  11  14 o 70.393  2.1385  670.878   40.316    685.659   57.266    656.353   56.768    71.167  3.0042  69.619  3.0443  1.547569       4.277008 
1 1 1 15  11  15 o 11.464  2.4656  17.452    8.6861    9.2626    12.413    25.311    12.159    9.5395  3.5833  13.389  3.3878  -3.849793      4.931268 
1 1 1 15  11  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  11  17 o 37.884  1.9945  195.799   19.997    220.325   28.697    172.647   27.882    40.237  2.6780  35.531  2.9565  4.705315       3.989085 
1 1 1 15  11  18 o 35.436  2.0213  171.705   19.014    178.661   27.229    165.085   26.563    36.146  2.8351  34.725  2.8819  1.420853       4.042681 
1 1 1 15  11  19 o 49.579  2.0284  336.100   26.782    359.708   38.222    313.329   37.538    51.321  2.7910  47.836  2.9440  3.485447       4.056707 
1 1 1 15  11  20 o 34.561  2.0487  164.526   18.724    181.248   26.729    148.412   26.239    36.339  2.7669  32.784  3.0221  3.555222       4.097422 
1 1 1 15  11  21 o 63.220  2.1644  551.147   36.511    591.011   51.776    511.714   51.495    65.596  2.9469  60.843  3.1708  4.753227       4.328745 
1 1 1 15  11  22 o 27.515  2.2263  106.075   16.109    104.612   22.877    107.514   22.686    27.310  3.1874  27.720  3.1090  -0.4103985     4.452568 
1 1 1 15  11  23 f 53.683  2.1084  401.000   30.181    387.298   42.730    414.642   42.636    52.727  3.0384  54.640  2.9239  -1.912476      4.216755 
1 1 1 15  11  24 o 12.746  2.8842  23.348    11.131    23.782    15.572    22.894    15.917    12.832  4.0511  12.659  4.1063  0.1734180      5.768309 
1 1 1 15  11  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  11  26 o 14.811  2.9390  33.405    12.416    41.211    17.158    24.824    17.990    16.548  3.9297  13.074  4.3712  3.473168       5.877984 
1 1 1 15  11  27 o 23.469  2.5497  81.051    15.420    91.065    21.880    71.168    21.736    25.079  3.3403  21.860  3.8531  3.219549       5.099382 
1 1 1 15  11  28 o 18.795  2.9560  54.898    14.514    48.117    21.085    61.004    20.009    17.486  4.4812  20.103  3.8563  -2.617290      5.912058 
1 1 1 15  11  29 o 9.6334  2.7420  6.4882    11.217    17.052    16.831    -1.9540   15.046    11.258  4.1836  8.0088  3.5456  3.249182       5.483964 
1 1 1 15  12  0  o 62.368  1.9475  522.614   32.479    557.058   45.912    488.108   45.953    64.432  2.6603  60.304  2.8450  4.127598       3.895026 
1 1 1 15  12  1  o 181.938 3.6490  4470.14   177.725   4628.98   250.902   4310.19   251.782   185.211 5.0577  178.664 5.2614  6.546890       7.298069 
1 1 1 15  12  2  o 64.276  1.9741  555.010   33.967    573.576   47.835    536.128   48.239    65.364  2.7322  63.188  2.8502  2.176594       3.948287 
1 1 1 15  12  3  o 131.678 2.8657  2335.65   101.066   2300.09   142.448   2371.69   143.415   130.665 4.0701  132.690 4.0352  -2.024551      5.731384 
1 1 1 15  12  4  o 53.659  1.9362  387.282   27.753    367.442   38.992    407.654   39.510    52.225  2.7976  55.094  2.6774  -2.868637      3.872363 
1 1 1 15  12  5  o 53.277  1.9432  382.379   27.633    375.077   38.915    389.806   39.245    52.761  2.7633  53.793  2.7327  -1.032188      3.886339 
1 1 1 15  12  6  o 70.920  2.1229  676.763   40.318    690.153   56.884    663.245   57.153    71.629  2.9649  70.211  3.0391  1.418015       4.245815 
1 1 1 15  12  7  o 90.797  2.3336  1110.94   56.748    1091.76   80.082    1130.29   80.426    90.005  3.3218  91.588  3.2785  -1.582031      4.667237 
1 1 1 15  12  8  o 24.594  2.0226  82.733    13.006    74.016    18.368    91.497    18.417    23.248  3.0212  25.939  2.6899  -2.691311      4.045148 
1 1 1 15  12  9  o 89.122  2.3171  1072.48   55.300    1046.50   78.117    1098.59   78.295    88.032  3.3129  90.212  3.2403  -2.180122      4.634110 
1 1 1 15  12  10 o 103.367 2.5293  1446.93   70.024    1434.21   99.150    1459.58   98.907    102.907 3.5971  103.827 3.5566  -0.9191437     5.058508 
1 1 1 15  12  11 o 27.112  2.0288  100.455   14.484    95.469    20.636    105.297   20.336    26.423  2.9671  27.800  2.7678  -1.377373      4.057611 
1 1 1 15  12  12 o 73.336  2.1679  727.992   42.572    712.413   60.395    743.378   60.019    72.545  3.1082  74.127  3.0229  -1.581223      4.335756 
1 1 1 15  12  13 o 100.032 2.5215  1361.12   67.557    1378.97   95.792    1343.46   95.291    100.691 3.5518  99.374  3.5801  1.317017       5.043060 
1 1 1 15  12  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  12  15 o 21.445  2.2790  64.043    12.555    75.609    18.010    53.108    17.512    23.434  2.9336  19.456  3.4884  3.977648       4.557992 
1 1 1 15  12  16 o 57.579  2.0843  451.056   32.078    464.972   45.599    437.422   45.134    58.506  2.9098  56.651  2.9850  1.855343       4.168618 
1 1 1 15  12  17 o 58.008  2.0667  458.645   32.054    454.830   45.486    462.409   45.178    57.724  2.9518  58.293  2.8934  -0.5695724     4.133452 
1 1 1 15  12  18 o 24.814  2.2304  85.679    14.456    82.047    20.779    89.086    20.124    24.260  3.2820  25.368  3.0210  -1.108397      4.460716 
1 1 1 15  12  19 f 34.482  2.0776  163.841   19.004    166.331   27.021    161.404   26.733    34.745  2.9308  34.219  2.9455  0.5265350      4.155175 
1 1 1 15  12  20 o 25.034  2.2795  87.817    14.924    87.088    21.330    88.516    20.888    24.913  3.2760  25.155  3.1707  -0.2420425     4.559087 
1 1 1 15  12  21 o 31.688  2.1556  140.207   18.006    128.341   25.489    152.028   25.441    30.277  3.1910  33.098  2.8990  -2.820917      4.311254 
1 1 1 15  12  22 o 19.497  2.6344  55.236    13.244    61.395    19.005    49.421    18.466    20.636  3.5675  18.357  3.8772  2.278795       5.268764 
1 1 1 15  12  23 o 11.044  2.3773  11.563    9.9425    -10.7512  14.058    33.896    14.064    6.8856  3.1933  15.202  3.5228  -8.316797      4.754693 
1 1 1 15  12  24 o 33.833  3.0802  161.749   27.607    0.0000    0.0000    161.749   27.607    ?       ?       33.833  3.0802  ?              ?        
1 1 1 15  12  25 o 44.628  2.1908  282.171   25.953    303.600   36.646    260.607   36.760    46.439  2.9615  42.817  3.2291  3.622463       4.381539 
1 1 1 15  12  26 o 20.310  2.7621  61.734    14.467    68.948    20.672    54.809    20.252    21.602  3.7062  19.019  4.0966  2.583216       5.524295 
1 1 1 15  12  27 o 41.248  2.2801  246.254   24.557    198.388   34.546    295.148   34.916    36.857  3.5431  45.639  2.8709  -8.781555      4.560180 
1 1 1 15  12  28 o 13.117  2.7558  23.709    12.469    45.874    17.460    0.6430    17.812    17.251  3.8736  8.9826  3.9210  8.268168       5.511696 
1 1 1 15  13  0  o 13.861  2.6636  26.711    10.142    26.131    14.736    27.233    13.979    13.744  3.8496  13.977  3.6825  -0.2332993     5.327270 
1 1 1 15  13  1  o 77.941  2.1310  817.123   44.432    861.141   62.701    772.720   62.974    80.060  2.9239  75.823  3.1008  4.236580       4.261972 
1 1 1 15  13  2  o 86.462  2.2194  1005.90   51.361    1043.66   72.326    967.480   72.949    88.108  3.0647  84.816  3.2111  3.292496       4.438893 
1 1 1 15  13  3  o 149.986 3.1524  3040.04   126.590   2927.24   178.357   3154.54   179.702   147.162 4.5249  152.810 4.3905  -5.648087      6.304829 
1 1 1 15  13  4  o 43.560  1.8897  256.031   21.927    244.309   30.887    267.941   31.134    42.545  2.7247  44.576  2.6192  -2.030533      3.779439 
1 1 1 15  13  5  o 29.927  1.9649  121.512   15.568    123.119   21.929    119.879   22.104    30.132  2.7473  29.721  2.8099  0.4110718      3.929799 
1 1 1 15  13  6  o 63.044  2.0175  535.136   34.052    515.019   48.005    555.509   48.310    61.846  2.8979  64.242  2.8076  -2.395699      4.034902 
1 1 1 15  13  7  o 52.665  1.9578  374.526   27.518    370.169   38.744    378.961   39.092    52.354  2.7728  52.975  2.7646  -0.6209679     3.915503 
1 1 1 15  13  8  o 72.143  2.1293  702.532   41.126    725.308   58.076    679.623   58.246    73.326  2.9570  70.960  3.0645  2.365791       4.258550 
1 1 1 15  13  9  o 66.215  2.0804  592.081   36.884    574.003   52.138    610.191   52.186    65.195  2.9858  67.235  2.8978  -2.039940      4.160769 
1 1 1 15  13  10 o 51.879  2.0098  364.582   27.821    367.610   39.358    361.559   39.331    52.097  2.8311  51.661  2.8535  0.4362869      4.019664 
1 1 1 15  13  11 o 50.476  2.0164  345.495   27.150    347.193   38.564    343.827   38.230    50.598  2.8572  50.354  2.8462  0.2441444      4.032894 
1 1 1 15  13  12 o 87.033  4.5436  1043.68   105.552   1043.68   105.552   0.0000    0.0000    87.033  4.5436  ?       ?       ?              ?        
1 1 1 15  13  13 o 48.334  2.9976  342.945   32.857    281.473   62.300    366.632   38.673    44.699  5.3073  51.968  2.7885  -7.269711      5.995238 
1 1 1 15  13  14 o 19.142  2.4668  51.677    12.151    46.944    17.421    56.163    16.958    18.217  3.6966  20.067  3.2674  -1.850300      4.933643 
1 1 1 15  13  15 o 31.745  2.0939  138.170   17.493    156.924   25.139    120.565   24.357    33.890  2.7943  29.599  3.1192  4.291597       4.187798 
1 1 1 15  13  16 o 30.236  2.1048  125.648   16.819    129.242   24.146    122.260   23.442    30.660  2.9778  29.813  2.9754  0.8464241      4.209533 
1 1 1 15  13  17 o 34.839  2.0811  166.886   19.236    164.511   27.251    169.245   27.156    34.582  2.9709  35.096  2.9151  -0.5144348     4.162190 
1 1 1 15  13  18 o 67.279  2.1921  621.712   39.487    601.929   55.873    641.451   55.811    66.181  3.1520  68.376  3.0474  -2.195084      4.384240 
1 1 1 15  13  19 o 27.212  2.2803  103.754   16.261    98.605    23.259    108.677   22.741    26.497  3.3523  27.927  3.0920  -1.430651      4.560525 
1 1 1 15  13  20 o 31.342  2.2031  137.913   18.068    118.312   25.562    157.485   25.543    28.983  3.3548  33.700  2.8567  -4.716650      4.406258 
1 1 1 15  13  21 o 30.309  2.2272  129.205   17.811    128.127   25.432    130.242   24.951    30.162  3.1967  30.455  3.1020  -0.2931252     4.454376 
1 1 1 15  13  22 o 15.713  4.3912  37.132    19.197    37.132    19.197    0.0000    0.0000    15.713  4.3912  ?       ?       ?              ?        
1 1 1 15  13  23 f 25.410  2.4219  92.743    16.037    99.523    23.048    86.379    22.329    26.365  3.3386  24.456  3.5093  1.908854       4.843712 
1 1 1 15  13  24 o 44.950  2.1881  285.484   26.173    294.632   37.129    276.447   36.902    45.701  3.0507  44.199  3.1375  1.502445       4.376111 
1 1 1 15  13  25 o 18.805  2.8798  53.148    14.505    80.769    21.427    29.783    19.708    23.534  3.5063  14.076  4.5694  9.457141       5.759687 
1 1 1 15  13  26 o 28.096  2.4802  115.847   18.072    132.598   25.706    99.478    25.411    30.319  3.2144  25.874  3.7780  4.444248       4.960438 
1 1 1 15  13  27 o 11.801  2.8778  18.031    11.924    32.005    17.289    5.3554    16.467    14.283  4.2239  9.3188  3.9096  4.964738       5.755521 
1 1 1 15  14  0  o 137.700 2.9554  2562.26   108.807   2730.42   153.580   2392.80   154.175   142.279 4.0300  133.121 4.3239  9.158051       5.910775 
1 1 1 15  14  1  o 67.892  2.0159  620.081   36.634    642.765   51.622    597.067   51.997    69.150  2.7871  66.635  2.9133  2.514885       4.031803 
1 1 1 15  14  2  o 130.401 2.8274  2296.98   98.654    2165.97   138.792   2430.77   140.255   126.616 4.0925  134.186 3.9023  -7.569695      5.654785 
1 1 1 15  14  3  o 128.378 2.8181  2227.58   96.885    2169.58   136.438   2286.58   137.602   126.682 4.0210  130.074 3.9495  -3.392563      5.636225 
1 1 1 15  14  4  o 85.962  2.2321  996.100   51.371    956.888   72.327    1036.02   72.975    84.246  3.2053  87.678  3.1074  -3.431778      4.464269 
1 1 1 15  14  5  o 90.812  2.3199  1113.31   56.420    1128.61   79.516    1097.81   80.066    91.447  3.2463  90.176  3.3149  1.271118       4.639731 
1 1 1 15  14  6  o 28.308  2.0063  109.497   14.915    97.215    21.142    121.666   21.045    26.678  3.0115  29.939  2.6517  -3.261518      4.012584 
1 1 1 15  14  7  o 24.845  2.0929  84.493    13.650    86.190    19.285    82.789    19.325    25.105  2.9226  24.585  2.9967  0.5202751      4.185886 
1 1 1 15  14  8  o 84.577  2.2933  968.215   51.948    952.697   73.218    983.945   73.716    83.891  3.2585  85.264  3.2278  -1.373222      4.586532 
1 1 1 15  14  9  o 17.863  2.4456  45.067    11.246    39.205    16.216    50.498    15.608    16.661  3.7271  19.066  3.1676  -2.404928      4.891280 
1 1 1 15  14  10 o 83.226  4.4140  952.066   98.044    952.066   98.044    0.0000    0.0000    83.226  4.4140  ?       ?       ?              ?        
1 1 1 15  14  11 o 22.092  3.2085  67.571    18.430    0.0000    0.0000    67.571    18.430    ?       ?       22.092  3.2085  ?              ?        
1 1 1 15  14  12 o 46.159  2.0227  289.836   24.877    298.201   35.237    281.522   35.125    46.835  2.8221  45.483  2.8983  1.351963       4.045314 
1 1 1 15  14  13 o 40.145  2.0126  219.689   21.484    231.110   30.617    208.611   30.154    41.191  2.7915  39.099  2.9000  2.092094       4.025215 
1 1 1 15  14  14 f 73.861  2.2427  744.005   44.370    745.832   62.787    742.182   62.709    73.953  3.1698  73.770  3.1737  0.1828079      4.485498 
1 1 1 15  14  15 o 35.899  2.0858  176.814   19.849    189.160   28.324    164.901   27.824    37.162  2.8678  34.637  3.0296  2.524757       4.171621 
1 1 1 15  14  16 o 20.861  2.5014  61.723    13.415    69.790    19.004    53.712    18.939    22.327  3.2752  19.394  3.7817  2.932829       5.002800 
1 1 1 15  14  17 o 66.346  2.2165  605.287   39.388    610.132   55.930    600.521   55.478    66.610  3.1349  66.083  3.1343  0.5263824      4.432985 
1 1 1 15  14  18 o 46.141  2.1479  294.661   26.361    312.751   37.413    276.825   37.150    47.595  2.9493  44.686  3.1235  2.909061       4.295840 
1 1 1 15  14  19 o 49.746  2.1429  343.425   28.406    356.923   40.581    330.458   39.775    50.724  3.0002  48.768  3.0605  1.956982       4.285806 
1 1 1 15  14  20 o 27.096  2.3751  104.478   16.807    97.832    24.093    110.777   23.458    26.167  3.5275  28.024  3.1815  -1.857851      4.750283 
1 1 1 15  14  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  14  22 o 11.276  2.8426  13.978    11.440    26.947    17.159    3.6018    15.348    13.542  4.2493  9.0099  3.7769  4.532223       5.685247 
1 1 1 15  14  23 o 33.932  2.2699  163.684   20.382    164.222   29.074    163.163   28.581    33.973  3.2342  33.891  3.1859  0.8137131E-01  4.539788 
1 1 1 15  14  24 o 18.613  2.9318  52.609    14.238    52.614    20.455    52.604    19.829    18.584  4.2072  18.642  4.0843  -0.5731964E-01 5.863610 
1 1 1 15  14  25 o 11.396  2.8337  14.015    11.413    30.909    17.907    2.4561    14.811    14.180  4.3228  8.6127  3.6650  5.567545       5.667337 
1 1 1 15  14  26 o 10.901  2.9106  14.883    11.771    10.048    16.687    19.671    16.607    10.062  4.0451  11.739  4.1861  -1.677298      5.821203 
1 1 1 15  15  0  o 61.524  1.9576  509.730   32.208    541.240   45.475    478.014   45.623    63.443  2.6761  59.605  2.8577  3.837593       3.915115 
1 1 1 15  15  1  o 55.537  1.9273  414.974   28.669    414.965   40.475    414.983   40.614    55.536  2.7209  55.537  2.7303  -0.3547668E-03 3.854601 
1 1 1 15  15  2  o 81.770  2.1713  901.113   47.551    882.777   66.821    919.925   67.683    80.926  3.0827  82.615  3.0586  -1.689301      4.342645 
1 1 1 15  15  3  o 58.332  1.9692  459.047   30.655    424.030   43.008    495.206   43.705    56.022  2.8759  60.643  2.6907  -4.620895      3.938319 
1 1 1 15  15  4  o 97.048  2.3924  1273.31   62.174    1235.86   87.518    1311.46   88.342    95.598  3.4179  98.498  3.3485  -2.899704      4.784820 
1 1 1 15  15  5  o 53.113  1.9532  381.393   27.686    371.219   38.912    391.824   39.401    52.390  2.7830  53.836  2.7415  -1.445923      3.906495 
1 1 1 15  15  6  o 85.395  2.2890  986.917   52.347    961.984   73.787    1012.18   74.276    84.301  3.2678  86.490  3.2062  -2.188705      4.578046 
1 1 1 15  15  7  o 22.257  2.2180  68.312    12.854    69.787    18.363    66.895    17.998    22.498  3.1323  22.017  3.1411  0.4813786      4.435937 
1 1 1 15  15  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  15  9  o 30.144  2.8197  125.398   19.692    127.713   37.704    124.529   23.092    30.089  4.8426  30.199  2.8901  -0.1099205     5.639428 
1 1 1 15  15  10 o 18.489  2.4938  48.548    11.826    63.743    16.947    34.127    16.510    21.477  3.0302  15.502  3.9614  5.974525       4.987502 
1 1 1 15  15  11 f 50.194  2.0255  342.739   27.117    340.434   38.444    345.021   38.256    50.021  2.8816  50.367  2.8474  -0.3464088     4.051071 
1 1 1 15  15  12 o 36.082  2.0612  177.915   19.736    187.059   28.211    169.149   27.621    37.007  2.8685  35.157  2.9607  1.849766       4.122346 
1 1 1 15  15  13 o 29.832  2.1422  122.874   16.696    143.316   23.856    103.247   23.376    32.359  2.7794  27.306  3.2606  5.053118       4.284470 
1 1 1 15  15  14 o 36.480  2.1088  182.730   20.404    193.907   29.206    172.074   28.517    37.594  2.9235  35.366  3.0399  2.227402       4.217567 
1 1 1 15  15  15 f 28.122  2.2774  109.889   16.836    114.507   24.091    105.481   23.537    28.717  3.1858  27.527  3.2553  1.189724       4.554827 
1 1 1 15  15  16 o 52.155  2.1391  375.013   29.714    399.346   42.288    351.283   41.761    53.871  2.9419  50.438  3.1063  3.433247       4.278289 
1 1 1 15  15  17 o 18.166  2.7104  48.161    12.921    66.962    18.653    30.815    17.916    21.757  3.3048  14.575  4.2969  7.181589       5.420762 
1 1 1 15  15  18 o 29.668  2.2753  123.695   17.750    133.586   25.332    114.156   24.878    30.893  3.1034  28.444  3.3283  2.449507       4.550691 
1 1 1 15  15  19 o 14.080  4.2494  29.061    17.367    29.061    17.367    0.0000    0.0000    14.080  4.2494  ?       ?       ?              ?        
1 1 1 15  15  20 o 27.706  2.4478  110.889   17.402    89.486    24.724    131.903   24.498    24.793  3.8478  30.619  3.0268  -5.826281      4.895638 
1 1 1 15  15  21 o 25.041  2.5433  90.703    16.565    92.628    23.464    88.790    23.390    25.330  3.5565  24.752  3.6365  0.5779724      5.086520 
1 1 1 15  15  22 o 40.063  2.2729  227.639   24.181    233.126   34.486    222.332   33.915    40.549  3.2012  39.577  3.2275  0.9726486      4.545780 
1 1 1 15  15  23 o 32.104  2.4251  149.489   20.362    133.827   29.236    164.243   28.376    30.276  3.6809  33.932  3.1584  -3.655205      4.850178 
1 1 1 15  15  24 o 22.218  2.7923  74.853    15.928    64.850    22.677    84.593    22.376    20.513  4.2664  23.924  3.6037  -3.411530      5.584697 
1 1 1 15  15  25 o 13.967  2.9714  29.505    13.122    13.262    18.534    45.831    18.581    10.835  4.2939  17.099  4.1084  -6.263178      5.942749 
1 1 1 15  16  0  o 51.988  1.9046  364.568   26.446    382.826   37.490    346.484   37.311    53.330  2.6246  50.647  2.7608  2.682014       3.809253 
1 1 1 15  16  1  o 78.432  2.1458  830.273   45.059    853.718   63.470    806.452   63.979    79.559  2.9784  77.305  3.0899  2.254509       4.291675 
1 1 1 15  16  2  o 67.871  2.0506  621.370   37.277    612.527   52.443    630.401   52.995    67.382  2.9057  68.360  2.8943  -0.9779816     4.101236 
1 1 1 15  16  3  f 75.788  2.1231  775.694   43.082    747.039   60.571    805.034   61.291    74.363  3.0410  77.213  2.9636  -2.849350      4.246225 
1 1 1 15  16  4  f 46.030  1.9410  286.919   23.820    292.425   33.762    281.463   33.611    46.475  2.7241  45.585  2.7659  0.8899879      3.882066 
1 1 1 15  16  5  o 87.402  2.8774  1024.66   62.488    994.129   75.114    1093.27   112.605   85.656  3.2740  89.148  4.7328  -3.492241      5.754810 
1 1 1 15  16  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  16  7  o 50.155  2.0140  341.915   26.861    373.346   38.094    310.835   37.880    52.488  2.7189  47.823  2.9719  4.664719       4.028041 
1 1 1 15  16  8  o 68.084  2.1346  628.399   38.923    616.957   54.736    640.103   55.359    67.454  3.0296  68.713  3.0079  -1.259697      4.269152 
1 1 1 15  16  9  o 44.864  2.0140  274.140   24.024    295.291   34.070    253.225   33.880    46.619  2.7405  43.108  2.9520  3.511036       4.027990 
1 1 1 15  16  10 o 86.232  2.3878  1014.52   55.148    1029.50   78.048    999.585   77.934    86.879  3.3540  85.586  3.3997  1.293015       4.775691 
1 1 1 15  16  11 f 89.700  2.4272  1100.95   58.302    1128.18   82.498    1073.79   82.406    90.830  3.3910  88.569  3.4737  2.261505       4.854378 
1 1 1 15  16  12 o 40.000  2.0811  219.224   22.137    224.292   31.385    214.206   31.228    40.471  2.9148  39.529  2.9712  0.9421082      4.162204 
1 1 1 15  16  13 o 35.184  2.1055  170.457   19.640    164.336   27.908    176.463   27.643    34.532  3.0486  35.837  2.9048  -1.305790      4.210932 
1 1 1 15  16  14 o 22.901  2.4739  74.101    14.548    87.613    20.928    61.465    20.238    25.057  3.1906  20.744  3.7817  4.313009       4.947825 
1 1 1 15  16  15 o 35.853  2.1726  178.116   20.650    186.726   29.559    169.909   28.859    36.720  3.0325  34.986  3.1121  1.733925       4.345250 
1 1 1 15  16  16 o 48.469  2.1452  325.673   27.708    331.279   39.338    320.152   39.034    48.893  3.0186  48.046  3.0490  0.8472137      4.290490 
1 1 1 15  16  17 o 17.574  2.8563  45.848    13.215    38.708    19.015    52.520    18.380    16.141  4.3151  19.007  3.7436  -2.865788      5.712649 
1 1 1 15  16  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  16  19 o 29.571  2.3907  124.967   18.454    110.137   26.120    139.747   26.076    27.673  3.6099  31.468  3.1355  -3.794344      4.781452 
1 1 1 15  16  20 o 11.248  2.8805  14.112    11.771    25.362    17.102    3.9850    16.226    13.220  4.2531  9.2766  3.8858  3.943491       5.760931 
1 1 1 15  16  21 o 10.808  2.8328  11.420    11.670    24.365    17.023    -0.0580   16.029    12.966  4.2486  8.6493  3.7479  4.316909       5.665510 
1 1 1 15  16  22 o 17.630  3.0116  47.512    14.130    55.420    20.384    40.199    19.603    19.122  4.1029  16.138  4.4097  2.983904       6.023216 
1 1 1 15  16  23 o 19.745  2.9592  60.133    15.173    54.323    21.432    65.972    21.485    18.654  4.3666  20.836  3.9951  -2.181938      5.918477 
1 1 1 15  17  0  o 48.308  1.9074  315.679   24.566    302.159   34.668    329.314   34.816    47.256  2.7509  49.359  2.6430  -2.103676      3.814826 
1 1 1 15  17  1  f 62.231  2.0040  522.731   33.392    504.689   46.981    541.150   47.469    61.140  2.8688  63.323  2.7988  -2.182365      4.007906 
1 1 1 15  17  2  o 50.553  2.4838  341.960   30.580    332.859   36.330    364.080   56.642    49.584  2.7462  51.522  4.1394  -1.937584      4.967514 
1 1 1 15  17  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  17  4  o 24.514  2.7993  67.928    16.002    129.356   32.515    48.295    18.382    30.528  4.0785  18.501  3.8355  12.02660       5.598679 
1 1 1 15  17  5  o 45.657  1.9552  282.834   23.797    279.945   33.501    285.776   33.808    45.420  2.7669  45.893  2.7632  -0.4730377     3.910384 
1 1 1 15  17  6  o 23.733  2.2186  77.793    13.708    70.705    19.283    85.034    19.491    22.588  3.2833  24.877  2.9848  -2.288818      4.437208 
1 1 1 15  17  7  o 17.561  2.5194  43.505    11.443    44.415    16.395    42.641    15.978    17.742  3.5737  17.380  3.5523  0.3616352      5.038822 
1 1 1 15  17  8  o 99.726  2.5199  1359.17   67.304    1334.14   95.026    1384.36   95.338    98.789  3.5912  100.663 3.5360  -1.873398      5.039847 
1 1 1 15  17  9  o 10.949  2.6869  14.701    9.7166    18.351    13.866    11.179    13.620    11.742  3.8339  10.157  3.7656  1.585375       5.373869 
1 1 1 15  17  10 o 17.739  2.6279  44.815    12.087    42.942    17.001    46.730    17.188    17.346  3.7671  18.133  3.6649  -0.7868233     5.255701 
1 1 1 15  17  11 o 56.689  2.1194  440.150   32.067    439.514   45.234    440.793   45.465    56.650  2.9917  56.728  3.0029  -0.7800293E-01 4.238860 
1 1 1 15  17  12 o 36.733  2.1304  185.953   20.775    186.758   29.561    185.167   29.203    36.807  3.0252  36.658  3.0005  0.1494980      4.260862 
1 1 1 15  17  13 o 37.098  2.1300  190.181   20.982    191.021   29.812    189.356   29.536    37.177  3.0199  37.019  3.0046  0.1576500      4.260009 
1 1 1 15  17  14 o 14.701  2.8569  31.435    11.602    30.315    16.366    32.566    16.448    14.450  4.0603  14.951  4.0202  -0.5004349     5.713843 
1 1 1 15  17  15 o 52.873  2.1777  388.384   30.702    397.451   43.542    379.417   43.297    53.506  3.0508  52.239  3.1084  1.266689       4.355408 
1 1 1 15  17  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  17  17 o 24.615  2.5293  87.053    16.177    90.937    23.048    83.281    22.713    25.195  3.5107  24.036  3.6421  1.159370       5.058624 
1 1 1 15  17  18 o 45.220  2.2564  287.804   27.153    291.165   38.639    284.525   38.165    45.481  3.1921  44.959  3.1900  0.5224495      4.512780 
1 1 1 15  17  19 o 11.676  2.4070  7.2613    11.288    43.329    16.743    -22.7895  15.283    17.119  3.7548  6.2336  3.0126  10.88540       4.814008 
1 1 1 15  17  20 o 25.757  2.6575  96.815    17.748    106.217   25.713    88.260    24.528    27.029  3.6446  24.484  3.8686  2.545185       5.315006 
1 1 1 15  17  21 f 24.053  2.7845  87.226    17.028    68.628    24.181    105.521   23.983    21.126  4.4155  26.980  3.3939  -5.853302      5.569090 
1 1 1 15  17  22 o 22.391  2.8694  76.559    16.561    72.462    23.541    80.573    23.301    21.687  4.2044  23.095  3.9060  -1.407887      5.738791 
1 1 1 15  18  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  18  1  o 61.337  2.0108  508.478   33.027    492.441   46.448    524.878   46.971    60.353  2.8733  62.321  2.8139  -1.967957      4.021621 
1 1 1 15  18  2  o 29.283  2.0451  117.327   15.771    128.028   22.314    106.647   22.292    30.660  2.7463  27.906  3.0311  2.754047       4.090222 
1 1 1 15  18  3  o 50.855  1.9658  350.891   26.669    356.157   37.505    345.504   37.929    51.251  2.7420  50.459  2.8176  0.7920189      3.931618 
1 1 1 15  18  4  o 12.801  2.6682  22.477    10.247    31.231    14.156    12.839    14.853    14.849  3.5972  10.754  3.9418  4.094903       5.336442 
1 1 1 15  18  5  o 62.604  2.0723  531.526   34.748    524.542   48.939    538.626   49.346    62.187  2.9381  63.020  2.9234  -0.8333282     4.144680 
1 1 1 15  18  6  o 32.435  2.0408  143.835   17.541    139.999   24.646    147.774   24.971    31.988  2.9083  32.881  2.8639  -0.8931313     4.081666 
1 1 1 15  18  7  o 18.984  2.4983  50.870    12.226    55.102    17.340    46.688    17.239    19.822  3.3877  18.147  3.6728  1.675581       4.996598 
1 1 1 15  18  8  o 48.887  2.0480  326.482   26.675    342.713   37.879    310.513   37.573    50.117  2.8334  47.657  2.9580  2.460056       4.096088 
1 1 1 15  18  9  f 12.609  2.5609  20.725    10.253    36.469    14.557    5.2270    14.443    15.995  3.4954  9.2223  3.7437  6.772410       5.121820 
1 1 1 15  18  10 o 40.650  2.0915  227.257   22.596    236.731   31.872    217.682   32.040    41.532  2.8830  39.767  3.0309  1.764915       4.183002 
1 1 1 15  18  11 o 38.179  2.1362  201.394   21.633    213.111   30.567    189.635   30.621    39.336  2.9221  37.023  3.1169  2.312973       4.272375 
1 1 1 15  18  12 o 52.997  2.1771  388.382   30.710    418.324   43.709    359.192   43.158    55.077  2.9739  50.918  3.1804  4.158329       4.354182 
1 1 1 15  18  13 o 12.481  2.8681  21.210    11.106    26.818    16.142    16.171    15.303    13.647  4.0919  11.316  4.0201  2.331587       5.736243 
1 1 1 15  18  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  18  15 o 31.524  2.4278  142.794   19.526    178.752   27.680    107.178   27.548    35.811  2.9110  27.237  3.8863  8.573807       4.855655 
1 1 1 15  18  16 o 28.943  2.4472  119.686   18.455    134.934   26.255    104.793   25.947    30.906  3.2188  26.980  3.6871  3.926159       4.894409 
1 1 1 15  18  17 o 15.876  3.0262  37.850    13.285    31.338    18.790    44.358    18.785    14.528  4.4280  17.224  4.1260  -2.695689      6.052395 
1 1 1 15  18  18 f 33.087  2.3776  156.369   20.725    146.505   29.491    165.995   29.131    31.962  3.5021  34.212  3.2168  -2.249844      4.755244 
1 1 1 15  18  19 o 18.924  3.0242  54.716    14.999    48.364    21.455    60.787    20.977    17.711  4.5105  20.138  4.0296  -2.427578      6.048347 
1 1 1 15  18  20 o 12.738  2.9153  20.561    12.975    40.480    18.603    1.6903    18.107    16.193  4.2393  9.2834  4.0031  6.909934       5.830641 
1 1 1 15  19  0  o 76.451  2.1757  792.847   44.502    833.058   62.779    752.233   63.093    78.427  2.9886  74.475  3.1629  3.951622       4.351483 
1 1 1 15  19  1  o 93.690  2.3910  1193.66   59.997    1204.48   84.558    1182.69   85.142    94.129  3.3538  93.251  3.4088  0.8780060      4.782054 
1 1 1 15  19  2  f 44.116  1.9809  264.861   23.247    248.027   32.891    281.663   32.860    42.686  2.8938  45.545  2.7058  -2.859093      3.961776 
1 1 1 15  19  3  o 14.346  2.5356  27.833    10.515    11.708    14.302    46.803    15.513    10.415  3.8593  18.278  3.2898  -7.862897      5.071159 
1 1 1 15  19  4  o 34.562  2.0420  163.465   18.677    177.363   26.489    149.728   26.337    36.063  2.7634  33.060  3.0071  3.002743       4.083944 
1 1 1 15  19  5  o 16.739  2.6921  40.292    11.847    46.870    16.468    33.238    17.055    18.218  3.5022  15.261  4.0894  2.956587       5.384124 
1 1 1 15  19  6  o 39.012  2.0396  208.422   21.112    192.008   29.725    225.131   29.991    37.422  2.9906  40.602  2.7743  -3.180515      4.079289 
1 1 1 15  19  7  o 62.523  2.1446  535.124   35.807    562.400   50.512    507.572   50.767    64.202  2.9374  60.844  3.1257  3.358395       4.289269 
1 1 1 15  19  8  f 33.592  2.1456  155.595   19.088    149.513   26.771    161.884   27.224    32.907  3.0729  34.277  2.9953  -1.369774      4.291235 
1 1 1 15  19  9  o 34.900  2.1917  169.410   20.099    147.047   28.558    191.359   28.292    32.505  3.3270  37.295  2.8539  -4.790192      4.383373 
1 1 1 15  19  10 o 54.467  2.1521  409.397   31.271    408.962   44.088    409.837   44.361    54.442  3.0355  54.492  3.0516  -0.5003357E-01 4.304274 
1 1 1 15  19  11 o 22.103  2.5171  69.780    14.358    63.934    20.328    75.600    20.282    21.094  3.7345  23.112  3.3759  -2.018047      5.034141 
1 1 1 15  19  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  19  13 o 15.153  2.9720  33.847    12.530    38.003    17.958    29.905    17.490    16.014  4.1521  14.291  4.2534  1.723291       5.944032 
1 1 1 15  19  14 o 47.952  2.2348  322.243   28.514    337.491   40.291    306.943   40.359    49.149  3.0761  46.756  3.2427  2.392590       4.469602 
1 1 1 15  19  15 o 23.409  2.6826  80.241    16.044    65.453    22.725    94.938    22.655    21.007  4.1856  25.810  3.3565  -4.802279      5.365205 
1 1 1 15  19  16 f 9.4200  2.6167  2.4266    10.952    19.059    15.698    -13.3430  15.286    11.835  4.0814  7.0047  3.2756  4.830492       5.233342 
1 1 1 15  19  17 o 28.531  2.5545  117.964   19.028    113.471   27.509    122.086   26.348    27.907  3.7772  29.155  3.4402  -1.247950      5.109054 
1 1 1 15  19  18 f 27.963  2.6500  115.156   19.170    129.385   26.999    100.689   27.223    29.926  3.4302  26.000  4.0402  3.926126       5.299958 
1 1 1 15  19  19 o 14.978  3.1273  34.552    13.997    22.176    19.765    47.001    19.824    12.571  4.5563  17.385  4.2849  -4.814270      6.254622 
1 1 1 15  20  0  o 60.998  2.0366  504.762   33.260    518.627   46.857    490.682   47.218    61.856  2.8281  60.140  2.9313  1.716290       4.073176 
1 1 1 15  20  1  o 41.637  1.9854  236.224   21.979    220.415   30.891    252.431   31.277    40.199  2.8882  43.075  2.7250  -2.875374      3.970799 
1 1 1 15  20  2  o 68.183  2.1138  632.173   38.599    620.959   54.299    643.629   54.881    67.568  3.0003  68.798  2.9783  -1.230095      4.227506 
1 1 1 15  20  3  o 78.789  2.2613  847.267   47.719    841.333   67.224    853.294   67.749    78.511  3.1967  79.066  3.1990  -0.5550766     4.522501 
1 1 1 15  20  4  o 14.615  2.7075  30.441    10.808    25.185    15.136    35.909    15.438    13.381  3.9507  15.849  3.7034  -2.467883      5.415080 
1 1 1 15  20  5  o 45.129  2.0564  278.967   24.723    278.909   35.146    279.024   34.784    45.119  2.9240  45.140  2.8922  -0.2020264E-01 4.112707 
1 1 1 15  20  6  o 49.115  2.0793  331.079   27.210    345.568   38.535    316.673   38.425    50.216  2.8770  48.015  3.0029  2.201118       4.158680 
1 1 1 15  20  7  o 35.945  2.1243  178.364   20.265    176.957   28.683    179.766   28.635    35.798  3.0196  36.093  2.9888  -0.2957802     4.248661 
1 1 1 15  20  8  o 25.526  2.3724  91.581    15.812    95.288    22.312    87.841    22.410    26.083  3.2653  24.968  3.4424  1.114950       4.744710 
1 1 1 15  20  9  o 41.391  2.1468  237.495   23.633    240.224   33.397    234.757   33.447    41.640  3.0148  41.142  3.0570  0.4981270      4.293520 
1 1 1 15  20  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  20  11 o 36.104  2.2553  182.699   21.554    172.030   30.401    193.481   30.563    34.990  3.2822  37.218  3.0939  -2.227612      4.510551 
1 1 1 15  20  12 o 28.122  2.4216  113.324   17.506    91.232    24.764    135.391   24.751    25.144  3.7952  31.099  3.0089  -5.955223      4.843247 
1 1 1 15  20  13 f 8.0306  2.4702  -1.1342   9.9232    -1.1619   13.952    -1.1058   14.116    8.0035  3.4824  8.0576  3.5044  -0.5412579E-01 4.940452 
1 1 1 15  20  14 o 21.625  2.8579  69.772    15.830    83.688    22.157    55.264    22.623    24.122  3.5342  19.128  4.4922  4.993399       5.715785 
1 1 1 15  20  15 o 27.527  2.5614  109.361   18.393    101.812   25.721    117.260   26.311    26.484  3.7291  28.569  3.5124  -2.084753      5.122773 
1 1 1 15  20  16 o 29.258  2.5269  124.476   19.176    106.757   27.107    142.226   27.132    26.960  3.8645  31.556  3.2568  -4.596796      5.053782 
1 1 1 15  20  17 o 30.822  2.5458  139.415   20.426    122.543   29.115    155.767   28.663    28.758  3.8788  32.886  3.2985  -4.128241      5.091685 
1 1 1 15  21  0  o 42.479  1.9827  246.165   22.430    250.162   31.975    242.293   31.474    42.820  2.8033  42.138  2.8046  0.6820793      3.965435 
1 1 1 15  21  1  o 37.657  2.0348  194.439   20.326    182.746   28.946    205.812   28.548    36.501  2.9868  38.813  2.7641  -2.312393      4.069578 
1 1 1 15  21  2  o 51.455  2.0573  362.100   28.237    358.962   39.879    365.255   39.988    51.227  2.9185  51.682  2.9004  -0.4550896     4.114605 
1 1 1 15  21  3  o 38.239  2.0786  200.792   21.119    207.766   30.128    194.054   29.612    38.904  2.9124  37.574  2.9665  1.329922       4.157166 
1 1 1 15  21  4  o 16.596  2.7179  40.486    12.533    60.906    17.587    19.416    17.866    20.819  3.2609  12.373  4.3491  8.446495       5.435815 
1 1 1 15  21  5  o 33.626  2.1452  156.380   19.111    154.737   26.768    158.087   27.293    33.449  3.0203  33.803  3.0473  -0.3533630     4.290468 
1 1 1 15  21  6  o 11.470  2.7630  16.214    10.875    25.706    14.871    5.3040    15.943    13.398  3.9048  9.5417  3.9101  3.856085       5.525959 
1 1 1 15  21  7  o 27.035  3.2948  102.683   23.365    102.683   23.365    0.0000    0.0000    27.035  3.2948  ?       ?       ?              ?        
1 1 1 15  21  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  21  9  o 31.353  2.3933  140.809   19.128    176.468   27.051    105.152   27.050    35.651  2.8569  27.055  3.8406  8.595602       4.786624 
1 1 1 15  21  10 f 9.2816  2.7061  3.6017    11.029    -2.1063   14.898    10.524    16.405    8.1579  3.5728  10.405  4.0654  -2.247544      5.412187 
1 1 1 15  21  11 o 12.950  2.7266  18.999    12.189    -2.6173   16.562    44.542    18.004    8.5312  3.7509  17.368  3.9582  -8.837202      5.453149 
1 1 1 15  21  12 o 42.565  2.2698  254.649   25.681    247.352   35.981    262.225   36.666    41.929  3.2287  43.201  3.1912  -1.271908      4.539644 
1 1 1 15  21  13 o 26.898  2.6503  106.053   17.931    76.684    25.082    136.750   25.643    22.679  4.2861  31.118  3.1186  -8.438875      5.300642 
1 1 1 15  21  14 o 36.050  2.3910  185.635   22.816    185.734   32.035    185.533   32.503    36.079  3.3534  36.022  3.4093  0.5626297E-01  4.782090 
1 1 1 15  21  15 o 40.985  2.3726  241.200   25.783    251.541   36.243    230.605   36.687    41.963  3.2499  40.007  3.4576  1.956127       4.745196 
1 1 1 15  22  0  o 28.069  2.2749  109.488   16.762    113.551   23.375    105.187   24.048    28.648  3.0956  27.490  3.3343  1.158075       4.549713 
1 1 1 15  22  1  o 26.528  2.2504  98.214    15.550    85.973    21.963    110.516   22.018    24.775  3.3992  28.281  2.9501  -3.505398      4.500882 
1 1 1 15  22  2  o 7.0927  2.2432  -4.6727   8.6865    -1.7490   11.141    -9.2053   13.872    7.1216  3.1050  7.0639  3.2383  0.5770063E-01  4.486374 
1 1 1 15  22  3  o 29.579  2.2198  122.039   17.248    112.400   24.602    131.355   24.189    28.358  3.3008  30.799  2.9689  -2.441706      4.439534 
1 1 1 15  22  4  o 30.548  2.2016  129.971   17.756    127.235   25.218    132.661   25.004    30.208  3.1637  30.888  3.0626  -0.6805916     4.403232 
1 1 1 15  22  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  22  6  o 43.777  2.1441  266.406   24.950    251.427   35.294    281.369   35.275    42.493  3.1228  45.060  2.9388  -2.567009      4.288190 
1 1 1 15  22  7  o 17.985  2.9133  48.004    13.924    61.426    19.776    34.812    19.607    20.616  3.7181  15.354  4.4860  5.262203       5.826590 
1 1 1 15  22  8  o 11.139  2.6674  12.304    11.257    30.086    15.611    -6.9597   16.248    14.319  3.9444  7.9593  3.5918  6.359360       5.334760 
1 1 1 15  22  9  o 9.3966  2.7347  5.2412    11.096    4.2118    15.752    6.2553    15.634    9.2534  3.8483  9.5399  3.8864  -0.2865057     5.469332 
1 1 1 15  22  10 o 15.346  3.0699  35.129    13.214    32.332    18.818    37.849    18.561    14.773  4.4154  15.919  4.2663  -1.146001      6.139842 
1 1 1 15  22  11 o 32.858  2.5025  156.147   20.840    112.448   29.119    202.035   29.840    27.733  4.0386  37.984  2.9562  -10.25105      5.004959 
1 1 1 15  22  12 f 35.707  2.4199  181.929   22.788    164.770   31.699    200.281   32.783    33.873  3.5464  37.542  3.2934  -3.668671      4.839839 
1 1 1 15  22  13 o 10.085  2.8268  5.3753    12.281    -7.9894   16.842    20.552    17.947    7.9215  3.6072  12.248  4.3534  -4.327044      5.653656 
1 1 1 15  22  14 o 27.409  2.6272  110.766   18.776    105.983   26.012    115.970   27.130    26.776  3.7281  28.042  3.7026  -1.266092      5.254306 
1 1 1 15  23  0  f 32.161  2.1722  143.855   18.400    156.872   25.899    130.586   26.147    33.707  2.8967  30.615  3.2377  3.092203       4.344396 
1 1 1 15  23  1  o 16.426  3.9104  39.238    16.957    39.238    16.957    0.0000    0.0000    16.426  3.9104  ?       ?       ?              ?        
1 1 1 15  23  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 15  23  3  o 28.185  2.4400  112.184   17.966    123.493   25.703    101.380   25.123    29.656  3.2914  26.714  3.6029  2.941391       4.879943 
1 1 1 15  23  4  o 35.060  2.1991  172.011   20.260    147.144   28.399    197.784   28.912    32.355  3.3242  37.765  2.8799  -5.410412      4.398217 
1 1 1 15  23  5  o 31.177  2.3026  136.670   18.746    114.773   25.999    160.381   27.054    28.445  3.4854  33.908  3.0101  -5.463543      4.605266 
1 1 1 15  23  6  o 26.731  2.4742  102.177   17.093    117.754   24.244    86.780    24.103    28.928  3.1814  24.534  3.7901  4.394678       4.948378 
1 1 1 15  23  7  o 38.647  2.2472  209.563   22.999    192.910   32.337    226.611   32.718    37.018  3.2958  40.275  3.0556  -3.257244      4.494332 
1 1 1 15  23  8  o 32.488  2.3642  149.717   19.947    120.735   27.719    180.846   28.728    29.028  3.6455  35.948  3.0113  -6.920458      4.728402 
1 1 1 15  23  9  o 25.893  2.6016  96.855    17.523    97.539    24.414    96.127    25.167    26.028  3.5981  25.757  3.7586  0.2712193      5.203198 
1 1 1 15  23  10 o 12.461  2.9678  20.379    12.170    11.004    16.534    31.463    17.978    10.425  4.0790  14.497  4.3119  -4.071391      5.935600 
1 1 1 15  23  11 o 21.907  2.9988  73.348    16.872    86.333    23.429    59.358    24.318    24.263  3.7241  19.552  4.7014  4.710983       5.997691 
1 1 1 15  23  12 o 18.741  3.0731  55.097    15.853    79.938    22.544    30.799    22.297    23.210  3.7546  14.273  4.8660  8.937362       6.146121 
1 1 1 15  24  0  o 45.173  2.1375  283.520   25.587    251.678   35.987    316.076   36.389    42.508  3.1838  47.837  2.8529  -5.328976      4.275022 
1 1 1 15  24  1  o 19.274  2.7542  55.060    13.753    73.599    19.479    36.634    19.419    22.800  3.2844  15.749  4.4220  7.051668       5.508348 
1 1 1 15  24  2  o 22.289  2.6726  72.097    15.128    52.981    20.983    92.790    21.831    18.934  4.2426  25.644  3.2515  -6.709734      5.345232 
1 1 1 15  24  3  o 56.695  2.1756  447.291   32.914    444.227   46.402    450.393   46.693    56.498  3.0779  56.892  3.0756  -0.3934441     4.351198 
1 1 1 15  24  4  o 19.329  2.9662  55.164    14.914    51.350    20.659    59.314    21.551    18.601  4.2409  20.058  4.1484  -1.457108      5.932462 
1 1 1 15  24  5  o 17.013  2.8984  44.076    13.721    61.993    18.912    24.161    19.939    20.749  3.5293  13.277  4.5985  7.471758       5.796751 
1 1 1 15  24  6  f 11.044  2.8442  12.554    11.646    1.4093    16.067    24.890    16.905    8.9149  3.8060  13.172  4.2276  -4.257556      5.688393 
1 1 1 15  24  7  o 10.974  2.9732  12.344    12.345    6.8045    16.665    19.079    18.376    9.8097  4.0063  12.137  4.3942  -2.327696      5.946391 
1 1 1 15  24  8  o 12.289  3.0993  20.015    12.895    16.780    17.687    23.686    18.839    11.599  4.2929  12.980  4.4714  -1.380871      6.198605 
1 1 1 15  24  9  o 9.9561  2.8782  6.1092    12.299    -0.0936   16.457    13.957    18.511    8.7313  3.7905  11.181  4.3321  -2.449601      5.756354 
1 1 1 15  24  10 o 9.4903  2.8257  4.1020    12.214    0.8472    16.433    8.1188    18.256    8.8009  3.8043  10.180  4.1793  -1.378759      5.651465 
1 1 1 15  25  0  o 16.284  2.7353  40.172    13.831    69.069    18.760    5.7577    20.473    22.052  3.2757  10.517  4.3816  11.53547       5.470673 
1 1 1 15  25  1  o 28.987  2.3293  118.660   17.750    121.138   24.842    116.075   25.371    29.335  3.2143  28.639  3.3719  0.6950455      4.658535 
1 1 1 15  25  2  o 32.563  2.3209  149.753   19.830    168.473   28.191    131.421   27.898    34.701  3.0646  30.425  3.4863  4.276146       4.641728 
1 1 1 15  25  3  o 16.028  2.7355  38.062    13.220    64.665    18.484    10.205    18.914    21.256  3.3581  10.801  4.3192  10.45463       5.471059 
1 1 1 15  25  4  o 20.805  2.9581  63.937    15.894    57.585    21.732    71.242    23.306    19.642  4.2539  21.969  4.1117  -2.327299      5.916253 
1 1 1 15  25  5  o 12.327  3.0261  20.016    12.871    29.355    17.436    8.8339    19.079    14.078  4.2598  10.575  4.2990  3.502730       6.052103 
1 1 1 15  25  6  o 12.471  3.0813  21.088    13.112    28.453    17.702    12.137    19.515    13.845  4.3114  11.096  4.4033  2.749185       6.162574 
1 1 1 15  25  7  o 18.170  3.0878  50.001    15.101    35.634    20.508    67.020    22.320    15.230  4.6224  21.110  4.0953  -5.879413      6.175619 
1 1 1 15  26  0  o 36.539  2.2801  187.406   22.060    177.322   30.399    198.625   32.063    35.492  3.2332  37.586  3.2158  -2.094803      4.560155 
1 1 1 15  26  1  o 19.835  2.9027  57.859    15.004    38.819    20.368    80.449    22.186    16.057  4.5358  23.613  3.6234  -7.556005      5.805383 
1 1 1 15  26  2  o 7.8082  2.4486  -4.7400   10.029    -9.0077   12.893    1.7986    15.959    6.6977  3.0892  8.9188  3.8000  -2.221157      4.897251 
1 1 1 15  26  3  o 32.588  2.8201  157.269   22.967    163.965   29.082    146.172   37.437    33.986  3.2338  31.190  4.6211  2.795717       5.640158 
1 1 1 15  26  4  o 13.538  3.0956  26.062    12.969    18.686    17.411    35.256    19.437    11.868  4.2803  15.207  4.4733  -3.338295      6.191230 
1 1 1 15  26  5  o 19.027  3.0938  55.495    15.623    41.243    21.475    71.518    22.771    16.248  4.6800  21.806  4.0477  -5.558222      6.187578 
1 1 1 15  27  0  o 14.677  3.2338  32.242    13.996    32.220    18.504    32.272    21.398    14.649  4.3784  14.706  4.7602  -0.5664253E-01 6.467634 
1 1 1 15  27  1  o 17.936  3.1483  50.073    15.121    56.211    20.232    42.305    22.760    19.362  4.0322  16.509  4.8361  2.853592       6.296535 
1 1 1 15  27  2  o 31.267  2.4592  142.469   19.963    163.765   28.051    120.616   28.416    33.894  3.1251  28.640  3.7979  5.253361       4.918345 
1 1 1 16  -35 6  o 18.530  3.2655  61.666    16.628    88.136    25.379    41.755    22.011    22.361  4.3941  14.700  4.8319  7.660516       6.531074 
1 1 1 16  -35 7  o 9.5763  2.6208  12.924    10.075    -3.7934   20.223    18.444    11.619    8.4680  3.8922  10.685  3.5106  -2.216619      5.241508 
1 1 1 16  -35 8  o 13.278  3.3199  30.638    14.797    45.016    23.295    20.913    19.158    15.214  4.9693  11.342  4.4037  3.871833       6.639783 
1 1 1 16  -35 9  o 18.522  3.3613  62.066    16.784    78.176    25.721    50.118    22.150    20.699  4.7412  16.344  4.7661  4.354534       6.722682 
1 1 1 16  -35 10 f 12.935  3.3050  24.007    15.900    54.174    25.349    4.4397    20.416    16.539  5.1607  9.3300  4.1304  7.209348       6.610064 
1 1 1 16  -35 11 o 7.8234  2.5700  -6.4609   12.649    -17.0055  22.367    -1.5030   15.337    7.8772  3.7648  7.7696  3.4995  0.1075921      5.140078 
1 1 1 16  -35 12 o 14.521  3.5215  41.116    16.452    39.695    26.485    42.009    20.993    14.076  5.2446  14.967  4.7007  -0.8914042     7.042933 
1 1 1 16  -35 13 o 10.099  3.0515  4.7623    14.908    28.040    24.070    -9.7243   18.988    12.465  4.9080  7.7333  3.6273  4.731498       6.102901 
1 1 1 16  -35 14 o 14.431  3.2476  40.663    15.884    19.042    25.227    54.866    20.446    11.346  4.8036  17.517  4.3717  -6.170702      6.495129 
1 1 1 16  -35 15 o 12.474  3.3108  28.537    15.981    14.021    25.222    38.274    20.657    10.763  4.6826  14.184  4.6818  -3.421850      6.621624 
1 1 1 16  -35 16 o 12.115  3.4209  23.807    16.720    40.648    26.599    12.804    21.499    13.967  5.2457  10.263  4.3925  3.703746       6.841875 
1 1 1 16  -35 17 o 14.692  3.6548  45.096    17.737    46.820    27.436    43.857    23.250    14.677  5.3607  14.706  4.9691  -0.2819252E-01 7.309543 
1 1 1 16  -35 18 o 10.034  3.0089  12.259    14.633    -0.3836   23.438    20.336    18.733    9.0843  4.1809  10.984  4.3282  -1.899338      6.017776 
1 1 1 16  -35 19 o 8.4885  2.5935  0.7828    12.627    -32.7983  22.443    16.337    15.274    6.8566  3.3837  10.120  3.9314  -3.263842      5.187013 
1 1 1 16  -35 20 o 12.464  3.1747  30.356    16.018    3.2233    26.061    46.828    20.306    9.5296  4.3942  15.398  4.5832  -5.868801      6.349360 
1 1 1 16  -35 21 o 9.9763  3.1376  9.6810    16.283    24.136    26.818    1.2402    20.493    11.327  4.8781  8.6254  3.9474  2.701667       6.275177 
1 1 1 16  -35 22 o 7.0751  2.4250  -15.8909  13.281    -13.7240  22.821    -17.0007  16.332    7.7764  3.7392  6.3738  3.0889  1.402542       4.850049 
1 1 1 16  -35 23 o 6.8296  2.3643  -20.6850  14.051    -29.2989  23.947    -16.1631  17.351    7.0643  3.4879  6.5950  3.1930  0.4692912      4.728678 
1 1 1 16  -34 1  o 6.5320  2.2219  -14.7807  10.481    -18.1631  18.915    -13.2822  12.590    7.1528  3.4302  5.9112  2.8250  1.241617       4.443743 
1 1 1 16  -34 2  o 9.4935  2.8587  7.7329    12.780    1.4461    20.846    11.519    16.177    9.2140  4.1203  9.7729  3.9638  -0.5588465     5.717404 
1 1 1 16  -34 3  o 10.765  2.6270  7.8311    13.015    -32.7912  19.941    37.979    17.179    6.5647  3.2300  14.965  4.1439  -8.400496      5.254065 
1 1 1 16  -34 4  o 9.4706  2.7580  5.8295    12.727    -15.9635  20.550    19.391    16.211    7.7342  3.6715  11.207  4.1165  -3.472634      5.515923 
1 1 1 16  -34 5  o 12.918  3.3107  28.194    14.640    27.196    23.292    28.846    18.824    12.788  4.8841  13.047  4.4709  -0.2592335     6.621387 
1 1 1 16  -34 6  o 11.044  2.9205  17.265    12.796    0.3663    20.852    27.472    16.206    9.2135  4.1204  12.875  4.1400  -3.661899      5.841059 
1 1 1 16  -34 7  f 14.116  3.3558  35.004    14.934    32.820    23.904    36.401    19.125    13.691  5.0033  14.540  4.4737  -0.8494959     6.711697 
1 1 1 16  -34 8  o 10.687  3.1387  12.490    14.637    17.566    22.574    8.8085    19.226    11.448  4.6676  9.9261  4.1975  1.522166       6.277391 
1 1 1 16  -34 9  o 14.979  3.1807  39.587    15.569    16.517    23.490    57.661    20.791    11.393  4.7155  18.566  4.2700  -7.172918      6.361495 
1 1 1 16  -34 10 o 12.550  3.3122  25.007    14.899    32.156    22.694    19.591    19.753    13.591  4.8884  11.508  4.4707  2.082621       6.624461 
1 1 1 16  -34 11 o 10.822  3.1306  12.636    14.359    24.008    22.623    4.9641    18.581    12.316  4.7844  9.3282  4.0387  2.987885       6.261134 
1 1 1 16  -34 12 o 8.7444  2.8167  -5.4395   14.194    5.2404    22.700    -12.2960  18.189    9.9794  4.3894  7.5095  3.5312  2.469861       5.633475 
1 1 1 16  -34 13 o 11.026  2.8045  12.678    13.694    -21.8785  21.615    35.847    17.699    7.5614  3.6367  14.491  4.2703  -6.929935      5.608965 
1 1 1 16  -34 14 o 19.284  3.3581  65.106    17.313    80.261    25.934    52.921    23.254    21.487  4.6418  17.082  4.8539  4.404272       6.716153 
1 1 1 16  -34 15 o 15.110  3.3025  37.295    16.810    69.186    25.172    11.628    22.583    19.638  4.8211  10.582  4.5148  9.056362       6.605001 
1 1 1 16  -34 16 o 10.645  3.0877  13.487    14.854    -0.6710   23.328    23.142    19.265    9.3980  4.2663  11.893  4.4648  -2.494640      6.175415 
1 1 1 16  -34 17 o 7.9794  2.5817  -15.3312  11.967    13.666    20.913    -29.4484  14.592    10.568  4.4179  5.3907  2.6725  5.177344       5.163339 
1 1 1 16  -34 18 o 22.152  3.3124  88.016    18.955    84.098    28.287    91.209    25.535    21.207  5.0520  23.097  4.2854  -1.889528      6.624763 
1 1 1 16  -34 19 o 15.760  3.6675  49.754    17.961    47.628    27.265    51.383    23.873    15.225  5.3707  16.295  4.9957  -1.070427      7.334939 
1 1 1 16  -34 20 o 7.9337  2.6383  -9.2935   13.595    -6.7984   23.092    -10.6170  16.818    8.6829  4.0490  7.1846  3.3837  1.498257       5.276693 
1 1 1 16  -34 21 o 18.809  3.1434  64.310    18.265    115.177   27.186    22.451    24.661    26.002  4.0341  11.617  4.8218  14.38497       6.286825 
1 1 1 16  -34 22 o 19.138  3.7629  77.143    20.231    68.920    30.106    83.915    27.319    17.523  5.6436  20.752  4.9786  -3.229069      7.525738 
1 1 1 16  -34 23 o 12.312  3.5076  30.154    17.685    29.418    28.001    30.642    22.811    12.190  5.1053  12.433  4.8114  -0.2433596     7.015268 
1 1 1 16  -34 24 o 14.320  3.6477  42.693    18.658    69.363    28.932    23.705    24.413    17.295  5.5285  11.346  4.7602  5.949217       7.295471 
1 1 1 16  -34 25 o 10.148  3.1189  14.883    16.225    3.3805    26.758    21.571    20.404    9.4443  4.3888  10.852  4.4327  -1.408176      6.237772 
1 1 1 16  -34 26 f 7.0172  2.4454  -25.0357  15.400    -23.0141  25.744    -26.1622  19.217    7.6347  3.7388  6.3997  3.1531  1.235076       4.890879 
1 1 1 16  -34 27 o 10.503  3.2906  21.608    18.475    16.741    29.033    24.920    23.950    10.168  4.6700  10.838  4.6373  -0.6697245     6.581257 
1 1 1 16  -33 0  o 9.7024  2.5965  2.3954    12.363    -34.1481  19.377    27.484    16.055    6.4291  3.1673  12.976  4.1153  -6.546696      5.192990 
1 1 1 16  -33 1  o 11.780  3.0842  20.094    13.962    4.6992    21.848    30.721    18.152    9.9437  4.3415  13.615  4.3819  -3.671515      6.168436 
1 1 1 16  -33 2  o 23.163  2.9741  87.232    17.633    75.791    25.613    97.542    24.312    21.266  4.6282  25.060  3.7363  -3.793947      5.948146 
1 1 1 16  -33 3  o 23.932  2.9475  91.823    18.171    88.046    26.176    95.335    25.245    23.267  4.3605  24.596  3.9668  -1.329515      5.894917 
1 1 1 16  -33 4  o 7.2697  2.4216  -13.2774  11.165    -5.6237   19.613    -16.9470  13.580    8.5339  3.8886  6.0055  2.8869  2.528353       4.843111 
1 1 1 16  -33 5  o 6.4669  2.1759  -15.2545  10.383    -32.6132  18.267    -6.9706   12.619    6.2786  3.0897  6.6552  3.0648  -0.3766041     4.351870 
1 1 1 16  -33 6  o 14.056  3.3041  31.444    14.788    44.179    22.427    21.647    19.670    16.050  4.8256  12.062  4.5147  3.987562       6.608287 
1 1 1 16  -33 7  o 17.790  3.2265  52.148    15.444    62.848    23.366    43.847    20.580    19.423  4.5681  16.158  4.5577  3.265186       6.452906 
1 1 1 16  -33 8  o 7.9038  3.6047  -5.8753   16.900    0.0000    0.0000    -5.8753   16.900    ?       ?       7.9038  3.6047  ?              ?        
1 1 1 16  -33 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -33 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -33 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -33 12 o 17.446  5.1713  54.853    25.892    54.853    25.892    0.0000    0.0000    17.446  5.1713  ?       ?       ?              ?        
1 1 1 16  -33 13 o 11.816  4.7236  19.468    22.615    19.468    22.615    0.0000    0.0000    11.816  4.7236  ?       ?       ?              ?        
1 1 1 16  -33 14 o 11.833  3.1722  18.318    15.434    -1.9210   22.960    35.004    20.847    9.4172  4.2579  14.248  4.7033  -4.830729      6.344331 
1 1 1 16  -33 15 o 9.5988  2.8701  6.2613    13.300    -6.7775   21.066    14.903    17.149    8.6209  3.9662  10.577  4.1497  -1.955744      5.740290 
1 1 1 16  -33 16 o 6.7740  2.3016  -19.2207  12.183    -30.5551  19.741    -12.2475  15.484    6.6749  3.2699  6.8731  3.2399  -0.1981797     4.603186 
1 1 1 16  -33 17 o 8.6819  3.9496  -3.6036   20.127    -3.6036   20.127    0.0000    0.0000    8.6819  3.9496  ?       ?       ?              ?        
1 1 1 16  -33 18 o 20.005  5.1231  73.539    27.571    73.539    27.571    0.0000    0.0000    20.005  5.1231  ?       ?       ?              ?        
1 1 1 16  -33 19 o 19.333  5.2436  70.512    27.839    70.512    27.839    0.0000    0.0000    19.333  5.2436  ?       ?       ?              ?        
1 1 1 16  -33 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -33 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -33 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -33 23 o 14.587  5.0698  42.216    24.245    0.0000    0.0000    42.216    24.245    ?       ?       14.587  5.0698  ?              ?        
1 1 1 16  -33 24 o 35.081  2.7534  206.115   25.380    203.645   36.769    208.363   35.075    34.617  4.0417  35.545  3.7402  -0.9280701     5.506792 
1 1 1 16  -33 25 o 20.710  3.6665  85.264    20.742    114.566   31.337    62.419    27.670    24.442  4.9564  16.978  5.4044  7.463905       7.333053 
1 1 1 16  -33 26 o 8.8937  2.9195  -6.9728   16.219    15.246    26.295    -20.6183  20.606    10.650  4.7025  7.1373  3.4614  3.512868       5.839072 
1 1 1 16  -33 27 o 8.4152  2.7077  -8.5007   15.344    -44.5099  23.964    16.521    19.976    6.5749  3.2859  10.255  4.3045  -3.680606      5.415337 
1 1 1 16  -33 28 o 11.157  3.3245  23.577    18.112    6.0539    28.018    36.157    23.740    9.6548  4.4880  12.660  4.9058  -3.004910      6.649008 
1 1 1 16  -33 29 o 9.4547  3.0692  9.0590    17.586    11.292    26.553    7.3140    23.471    9.7226  4.4656  9.1868  4.2117  0.5357656      6.138399 
1 1 1 16  -33 30 o 8.4283  2.8156  -1.2151   16.995    -12.4850  25.109    8.3135    23.088    7.8403  3.8066  9.0163  4.1496  -1.176018      5.631147 
1 1 1 16  -32 0  o 22.657  3.0513  86.001    17.559    52.131    25.634    115.942   24.101    17.369  5.1448  27.946  3.2823  -10.57678      6.102639 
1 1 1 16  -32 1  o 8.1513  2.4059  0.7268    9.9213    -20.5142  16.970    11.757    12.229    6.7279  3.2324  9.5747  3.5645  -2.846829      4.811875 
1 1 1 16  -32 2  o 16.037  3.2992  42.321    15.070    48.558    22.030    36.835    20.661    17.113  4.6741  14.962  4.6576  2.151001       6.598486 
1 1 1 16  -32 3  o 14.099  4.5440  32.176    19.515    0.0000    0.0000    32.176    19.515    ?       ?       14.099  4.5440  ?              ?        
1 1 1 16  -32 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -32 5  o 31.631  3.6088  150.953   30.028    150.953   30.028    0.0000    0.0000    31.631  3.6088  ?       ?       ?              ?        
1 1 1 16  -32 6  o 25.450  2.6802  99.217    17.683    100.468   25.798    98.108    24.285    25.514  3.8989  25.387  3.6786  0.1267910      5.360365 
1 1 1 16  -32 7  o 14.156  3.3113  32.669    14.570    32.914    21.731    32.469    19.637    14.181  4.8040  14.130  4.5587  0.5171108E-01  6.622694 
1 1 1 16  -32 8  o 10.422  3.0010  9.6678    12.890    18.689    21.079    4.2788    16.291    11.813  4.6101  9.0311  3.8434  2.781465       6.002038 
1 1 1 16  -32 9  f 21.206  3.0106  73.448    16.395    58.099    24.239    86.394    22.260    18.575  4.8275  23.837  3.5985  -5.262611      6.021129 
1 1 1 16  -32 10 o 6.7605  2.2551  -12.6871  10.483    -19.2314  17.135    -8.7729   13.252    6.8482  3.2790  6.6728  3.0967  0.1753492      4.510123 
1 1 1 16  -32 11 o 15.997  3.3191  43.906    15.496    34.087    24.044    50.882    20.266    14.306  5.0437  17.688  4.3158  -3.382200      6.638178 
1 1 1 16  -32 12 o 19.407  3.3035  61.853    17.310    84.706    25.938    43.501    23.244    22.889  4.3904  15.924  4.9374  6.965199       6.607080 
1 1 1 16  -32 13 o 11.491  3.2420  13.856    15.212    29.005    23.877    3.5068    19.735    13.444  4.9855  9.5374  4.1458  3.906431       6.484046 
1 1 1 16  -32 14 o 23.981  2.9622  94.813    17.781    67.434    26.030    118.763   24.346    19.812  4.9262  28.150  3.2911  -8.338562      5.924436 
1 1 1 16  -32 15 o 19.306  3.3253  63.342    17.017    60.901    25.170    65.397    23.094    18.725  4.9452  19.887  4.4471  -1.161800      6.650654 
1 1 1 16  -32 16 o 25.344  2.9286  102.186   19.088    118.879   28.168    88.012    25.956    27.462  3.9426  23.226  4.3316  4.236414       5.857199 
1 1 1 16  -32 17 o 12.429  3.1668  20.258    14.487    41.478    22.186    4.4855    19.127    15.404  4.8315  9.4533  4.0953  5.950868       6.333589 
1 1 1 16  -32 18 o 14.079  2.9983  33.569    14.264    8.9212    21.969    51.530    18.754    10.375  4.4403  17.784  4.0303  -7.409286      5.996636 
1 1 1 16  -32 19 o 10.481  3.0676  11.871    13.934    16.123    21.341    8.7115    18.396    11.159  4.5428  9.8029  4.1235  1.356533       6.135137 
1 1 1 16  -32 20 o 8.7972  2.6981  3.1968    11.942    -5.5874   19.380    8.5733    15.162    8.3498  3.8277  9.2447  3.8036  -0.8948421     5.396187 
1 1 1 16  -32 21 o 10.963  3.1641  14.049    14.574    25.078    23.046    6.6993    18.813    12.399  4.8255  9.5268  4.0940  2.871710       6.328241 
1 1 1 16  -32 22 o 9.7089  2.9705  7.2414    13.995    2.2606    23.411    10.011    17.457    9.6922  4.3480  9.7257  4.0485  -0.3347683E-01 5.941017 
1 1 1 16  -32 23 o 10.658  3.0524  11.776    13.984    28.480    21.620    -0.2382   18.335    12.742  4.7403  8.5732  3.8468  4.168929       6.104774 
1 1 1 16  -32 24 o 26.161  3.1868  120.092   21.255    103.405   30.851    135.171   29.325    23.660  5.0233  28.662  3.9229  -5.001139      6.373586 
1 1 1 16  -32 25 o 11.138  4.8191  15.682    26.420    15.682    26.420    0.0000    0.0000    11.138  4.8191  ?       ?       ?              ?        
1 1 1 16  -32 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -32 27 o 19.446  5.2110  76.663    27.691    0.0000    0.0000    76.663    27.691    ?       ?       19.446  5.2110  ?              ?        
1 1 1 16  -32 28 o 17.521  3.1518  64.210    20.039    6.3899    30.371    108.792   26.668    10.251  4.7327  24.791  4.1638  -14.54052      6.303566 
1 1 1 16  -32 29 o 9.4295  3.0069  3.6480    16.274    19.631    24.399    -9.1621   21.843    10.838  4.6601  8.0212  3.8012  2.816645       6.013724 
1 1 1 16  -32 30 o 10.370  3.2292  15.850    17.264    26.616    26.573    7.9879    22.709    11.372  4.8757  9.3681  4.2352  2.003825       6.458301 
1 1 1 16  -32 31 o 7.9999  2.6829  -10.0508  16.326    -34.1982  25.146    7.5460    21.466    6.9818  3.4693  9.0181  4.0934  -2.036366      5.365793 
1 1 1 16  -32 32 o 26.300  3.6686  160.158   24.819    133.160   35.573    185.763   34.643    22.343  5.8685  30.257  4.4039  -7.913706      7.337156 
1 1 1 16  -31 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -31 1  o 15.310  4.5933  37.912    20.336    37.912    20.336    0.0000    0.0000    15.310  4.5933  ?       ?       ?              ?        
1 1 1 16  -31 2  o 18.905  3.1007  56.973    15.389    55.918    22.250    57.941    21.307    18.652  4.5046  19.159  4.2620  -0.5074673     6.201312 
1 1 1 16  -31 3  o 19.387  2.9837  59.773    15.049    51.465    22.130    66.920    20.524    17.823  4.6035  20.952  3.7971  -3.129463      5.967369 
1 1 1 16  -31 4  o 32.142  2.3357  151.327   19.807    155.831   28.707    147.234   27.365    32.573  3.3374  31.712  3.2686  0.8618317      4.671413 
1 1 1 16  -31 5  o 17.593  3.1363  49.169    14.784    55.947    21.784    43.382    20.129    18.742  4.4126  16.445  4.4580  2.296879       6.272547 
1 1 1 16  -31 6  o 41.256  2.2358  246.768   24.507    256.563   35.140    237.492   34.195    42.077  3.1406  40.435  3.1830  1.642067       4.471571 
1 1 1 16  -31 7  o 7.0169  2.3278  -12.6300  10.748    -10.1152  17.109    -14.2697  13.815    7.6659  3.5437  6.3680  3.0192  1.297928       4.655510 
1 1 1 16  -31 8  o 14.352  3.2482  32.597    14.038    33.400    21.372    31.988    18.616    14.473  4.7614  14.232  4.4196  0.2406588      6.496442 
1 1 1 16  -31 9  o 14.640  3.0451  34.208    12.981    26.831    19.234    40.378    17.592    13.228  4.5195  16.051  4.0824  -2.823345      6.090286 
1 1 1 16  -31 10 o 20.037  2.9020  61.888    15.038    74.501    22.272    51.320    20.387    22.068  3.9112  18.007  4.2883  4.060760       5.804077 
1 1 1 16  -31 11 o 8.6023  2.6876  -1.1344   11.728    0.7307    19.451    -2.1998   14.701    9.3199  4.0820  7.8846  3.4970  1.435285       5.375125 
1 1 1 16  -31 12 o 10.223  2.9677  9.0954    12.856    12.462    19.970    6.7132    16.799    10.896  4.4094  9.5505  3.9732  1.345213       5.935406 
1 1 1 16  -31 13 o 17.936  3.2912  52.499    15.880    53.045    23.894    52.067    21.254    17.881  4.8611  17.990  4.4382  -0.1092377     6.582417 
1 1 1 16  -31 14 o 34.710  2.3869  178.221   21.892    173.647   31.253    182.627   30.674    34.188  3.4606  35.232  3.2884  -1.043926      4.773835 
1 1 1 16  -31 15 o 11.782  2.9609  16.356    12.216    34.292    19.644    5.0466    15.599    14.536  4.5443  9.0273  3.7971  5.508649       5.921884 
1 1 1 16  -31 16 o 12.165  3.2145  21.217    13.883    23.116    21.931    19.948    17.933    12.570  4.7539  11.760  4.3281  0.8095322      6.429046 
1 1 1 16  -31 17 f 24.564  2.8589  94.320    18.126    98.243    26.557    90.898    24.801    24.990  4.1105  24.137  3.9746  0.8535061      5.717800 
1 1 1 16  -31 18 o 21.098  3.1567  72.656    17.269    77.269    25.128    68.527    23.772    21.752  4.4626  20.445  4.4661  1.306852       6.313488 
1 1 1 16  -31 19 o 11.622  2.9181  15.013    13.994    -12.4761  20.803    37.733    18.913    8.1847  3.8255  15.060  4.4077  -6.875282      5.836282 
1 1 1 16  -31 20 o 25.454  2.9543  104.155   19.418    106.059   28.273    102.456   26.715    25.577  4.2781  25.332  4.0755  0.2457352      5.908629 
1 1 1 16  -31 21 o 7.4433  2.4831  -15.2206  11.938    -2.3944   20.563    -21.7417  14.663    8.9487  4.0393  5.9380  2.8890  3.010676       4.966125 
1 1 1 16  -31 22 o 15.755  3.4748  43.419    16.324    56.132    24.938    33.888    21.593    17.580  5.0372  13.929  4.7877  3.651608       6.949546 
1 1 1 16  -31 23 o 23.362  3.1662  91.691    19.008    116.004   28.216    71.490    25.720    26.665  4.0805  20.058  4.8423  6.606575       6.332306 
1 1 1 16  -31 24 o 12.332  3.1823  18.261    15.570    47.727    23.625    -4.3667   20.703    16.009  4.9800  8.6543  3.9632  7.354585       6.364515 
1 1 1 16  -31 25 o 10.321  3.1465  9.4229    15.611    16.659    24.304    4.3407    20.368    11.239  4.7342  9.4031  4.1460  1.835588       6.292941 
1 1 1 16  -31 26 o 21.161  3.4502  81.940    19.517    109.004   28.896    59.236    26.466    25.017  4.4768  17.305  5.2510  7.711472       6.900347 
1 1 1 16  -31 27 o 13.773  3.4275  35.626    17.650    12.719    26.549    53.770    23.628    10.833  4.7562  16.713  4.9366  -5.880283      6.855002 
1 1 1 16  -31 28 o 10.071  4.4721  8.1958    24.114    8.1958    24.114    0.0000    0.0000    10.071  4.4721  ?       ?       ?              ?        
1 1 1 16  -31 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -31 30 o 10.831  3.2382  11.192    17.139    40.041    26.489    -9.5846   22.479    13.492  5.1949  8.1709  3.8674  5.321113       6.476423 
1 1 1 16  -31 31 o 7.7794  2.6476  -15.2277  16.261    -19.4945  24.383    -11.8103  21.822    7.7502  3.7602  7.8087  3.7284  -0.5853987E-01 5.295239 
1 1 1 16  -31 32 o 8.4791  2.7904  -11.8673  16.388    20.171    23.900    -40.2941  22.513    10.572  4.5788  6.3866  3.1908  4.185065       5.580866 
1 1 1 16  -31 33 o 7.3474  2.5397  -19.8744  16.687    -28.5014  24.669    -12.5960  22.658    7.0933  3.5091  7.6015  3.6723  -0.5081263     5.079381 
1 1 1 16  -31 34 o 8.5249  2.8734  0.6419    18.193    7.4158    26.076    -5.7833   25.396    8.9572  4.2169  8.0927  3.9042  0.8644972      5.746772 
1 1 1 16  -30 0  o 22.868  2.7112  79.255    15.789    97.594    22.580    61.705    22.088    25.818  3.3437  19.917  4.2687  5.901512       5.422394 
1 1 1 16  -30 1  o 22.124  2.6649  73.250    15.193    81.263    22.059    66.017    20.956    23.370  3.6427  20.877  3.8907  2.492937       5.329778 
1 1 1 16  -30 2  o 37.905  2.1981  206.185   22.114    212.623   31.506    199.934   31.046    38.514  3.0799  37.296  3.1369  1.218151       4.396127 
1 1 1 16  -30 3  o 13.166  2.9988  25.683    12.781    13.285    18.806    36.325    17.422    11.000  4.3360  15.333  4.1437  -4.333529      5.997571 
1 1 1 16  -30 4  o 28.713  2.3939  119.558   17.836    142.271   25.969    99.273    24.541    31.480  3.1209  25.945  3.6309  5.535366       4.787831 
1 1 1 16  -30 5  o 13.981  2.8510  30.440    12.430    12.157    19.203    43.624    16.307    10.914  4.3563  17.048  3.6791  -6.133529      5.702025 
1 1 1 16  -30 6  o 22.807  2.6448  77.215    15.590    78.448    22.416    76.059    21.698    22.966  3.7752  22.647  3.7051  0.3188114      5.289646 
1 1 1 16  -30 7  o 14.090  3.0327  30.436    12.556    26.321    18.587    33.890    17.030    13.307  4.4433  14.873  4.1287  -1.566367      6.065341 
1 1 1 16  -30 8  f 16.371  2.9883  42.474    13.807    26.284    20.504    55.906    18.675    13.399  4.6620  19.344  3.7397  -5.944885      5.976575 
1 1 1 16  -30 9  o 24.459  2.6057  88.438    16.486    86.450    24.090    90.189    22.609    24.086  3.8647  24.831  3.4961  -0.7446461     5.211454 
1 1 1 16  -30 10 o 12.438  3.0343  21.375    12.051    27.134    19.349    17.726    15.403    13.491  4.5333  11.385  4.0345  2.105646       6.068607 
1 1 1 16  -30 11 o 23.812  2.7669  84.530    16.918    99.847    24.685    70.963    23.232    26.040  3.6386  21.584  4.1693  4.455791       5.533732 
1 1 1 16  -30 12 o 20.508  3.0673  64.787    16.325    72.010    23.603    58.163    22.604    21.703  4.2123  19.313  4.4597  2.390020       6.134512 
1 1 1 16  -30 13 o 28.564  2.5104  119.740   18.785    117.277   26.672    122.164   26.460    28.228  3.6105  28.900  3.4889  -0.6721363     5.020768 
1 1 1 16  -30 14 o 6.9859  2.2908  -9.6873   10.102    -16.0592  16.513    -5.8763   12.770    7.0317  3.3241  6.9401  3.1529  0.9162951E-01  4.581507 
1 1 1 16  -30 15 o 7.6363  2.2928  -4.8325   9.7899    -32.4468  16.467    10.264    12.175    5.9078  2.9123  9.3649  3.5420  -3.457099      4.585559 
1 1 1 16  -30 16 o 13.774  3.2144  29.250    13.702    29.739    20.748    28.871    18.247    13.877  4.6942  13.671  4.3927  0.2056284      6.428897 
1 1 1 16  -30 17 o 31.281  2.4553  144.656   20.010    166.084   28.499    123.819   28.104    33.814  3.1841  28.747  3.7384  5.067083       4.910562 
1 1 1 16  -30 18 o 17.978  3.1984  52.403    15.408    47.983    22.824    56.105    20.886    17.090  4.7924  18.866  4.2368  -1.775782      6.396708 
1 1 1 16  -30 19 o 15.009  3.3002  36.720    14.651    36.395    21.689    36.994    19.870    14.916  4.7887  15.101  4.5426  -0.1853886     6.600468 
1 1 1 16  -30 20 o 24.285  2.8777  93.410    17.739    78.575    26.142    106.068   24.149    21.979  4.5888  26.590  3.4737  -4.611040      5.755333 
1 1 1 16  -30 21 o 12.269  3.1691  22.025    14.439    8.2081    22.267    32.050    18.968    10.529  4.4873  14.009  4.4763  -3.480918      6.338200 
1 1 1 16  -30 22 o 31.692  2.5366  153.038   21.129    162.279   30.462    144.469   29.332    32.671  3.5375  30.713  3.6362  1.957790       5.073099 
1 1 1 16  -30 23 o 17.027  3.1420  46.351    16.236    81.535    24.493    18.772    21.685    22.387  4.2400  11.668  4.6381  10.71839       6.284012 
1 1 1 16  -30 24 o 9.5505  2.9231  5.2678    13.493    6.7406    21.471    4.3064    17.347    10.032  4.3424  9.0690  3.9144  0.9629927      5.846291 
1 1 1 16  -30 25 o 10.631  3.1029  9.6445    14.847    26.331    22.542    -3.1399   19.731    12.621  4.8085  8.6407  3.9230  3.980036       6.205763 
1 1 1 16  -30 26 o 8.7893  2.8182  -3.2478   14.594    -11.8556  21.097    4.6506    20.209    8.1092  3.8099  9.4695  4.1538  -1.360341      5.636483 
1 1 1 16  -30 27 o 12.559  3.3927  27.462    16.040    22.731    24.101    31.224    21.492    11.949  4.8410  13.169  4.7546  -1.219876      6.785383 
1 1 1 16  -30 28 o 13.325  3.3931  30.797    16.401    49.119    24.111    15.018    22.375    15.879  5.0439  10.771  4.5401  5.108009       6.786284 
1 1 1 16  -30 29 o 14.040  3.5534  38.785    17.012    43.894    24.372    33.931    23.758    14.805  5.0866  13.275  4.9631  1.530185       7.106749 
1 1 1 16  -30 30 o 18.920  3.7206  73.711    20.250    55.508    28.487    92.302    28.790    15.932  5.4978  21.909  5.0144  -5.976710      7.441124 
1 1 1 16  -30 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -30 32 o 10.784  3.1835  7.9222    17.234    44.764    26.178    -20.2633  22.897    14.044  5.2178  7.5233  3.6486  6.520821       6.366945 
1 1 1 16  -30 33 o 5.8282  2.0721  -47.1732  14.582    -57.0463  21.281    -38.4360  20.020    5.6218  2.8443  6.0346  3.0140  -0.4128013     4.144211 
1 1 1 16  -30 34 o 8.0076  2.7071  -10.2926  16.419    3.2423    23.952    -22.2910  22.551    8.8940  4.1394  7.1212  3.4899  1.772809       5.414277 
1 1 1 16  -30 35 o 11.900  3.4006  34.649    18.736    9.4923    26.956    58.162    26.061    9.2676  4.3390  14.533  5.2373  -5.265079      6.801178 
1 1 1 16  -29 0  o 20.733  2.7334  64.736    14.507    80.511    20.592    49.191    20.442    23.567  3.3571  17.898  4.3146  5.669146       5.466741 
1 1 1 16  -29 1  o 12.900  2.7830  23.569    11.644    7.8442    16.899    37.786    16.068    9.9334  4.0429  15.866  3.8256  -5.932688      5.566008 
1 1 1 16  -29 2  o 10.749  2.8104  13.857    10.617    17.468    16.423    11.263    13.917    11.525  4.1569  9.9726  3.7833  1.552586       5.620807 
1 1 1 16  -29 3  o 31.706  2.2692  143.608   18.764    168.528   26.803    119.657   26.277    34.595  2.9199  28.817  3.4744  5.777781       4.538442 
1 1 1 16  -29 4  o 28.933  2.3158  119.697   17.601    114.758   25.153    124.436   24.639    28.280  3.3882  29.586  3.1579  -1.306757      4.631655 
1 1 1 16  -29 5  o 24.417  2.6639  87.851    16.198    121.549   23.597    57.823    22.275    29.305  3.0510  19.530  4.3677  9.775776       5.327814 
1 1 1 16  -29 6  o 21.613  2.6815  69.255    14.836    59.293    21.441    78.406    20.549    19.891  4.1582  23.335  3.3867  -3.443398      5.362926 
1 1 1 16  -29 7  o 9.0670  2.6413  3.9753    10.775    -5.4982   16.590    10.887    14.170    8.1553  3.6592  9.9786  3.8099  -1.823318      5.282528 
1 1 1 16  -29 8  o 40.637  2.1474  232.387   23.203    229.536   32.792    235.245   32.837    40.375  3.0549  40.899  3.0189  -0.5244217     4.294856 
1 1 1 16  -29 9  f 16.384  3.0974  41.122    14.027    33.355    20.523    47.931    19.216    14.896  4.6428  17.871  4.1013  -2.974934      6.194881 
1 1 1 16  -29 10 o 12.231  2.8350  18.926    12.332    -0.1907   18.234    35.040    16.741    9.1783  3.9873  15.285  4.0312  -6.106204      5.670045 
1 1 1 16  -29 11 o 23.197  2.9041  84.018    16.782    49.218    24.247    116.016   23.250    17.787  4.9225  28.607  3.0830  -10.82017      5.808253 
1 1 1 16  -29 12 o 11.900  3.0844  17.707    12.664    21.926    20.022    14.894    16.351    12.741  4.5907  11.060  4.1208  1.681200       6.168891 
1 1 1 16  -29 13 o 19.009  2.8899  52.880    14.389    75.596    21.933    35.716    19.065    22.697  3.7378  15.321  4.4085  7.376353       5.779859 
1 1 1 16  -29 14 o 20.005  2.9034  60.744    14.968    54.803    22.217    65.682    20.255    18.895  4.4613  21.115  3.7170  -2.219852      5.806864 
1 1 1 16  -29 15 o 30.949  2.4989  139.389   20.120    158.426   28.365    120.115   28.542    33.300  3.2204  28.598  3.8218  4.702232       4.997765 
1 1 1 16  -29 16 o 14.987  3.0556  34.839    13.603    21.328    20.266    45.916    18.350    12.569  4.6048  17.404  4.0179  -4.834040      6.111287 
1 1 1 16  -29 17 o 25.397  2.7405  96.481    17.471    127.746   25.303    67.998    24.152    29.803  3.2210  20.991  4.4346  8.812307       5.480909 
1 1 1 16  -29 18 o 8.6770  2.7058  -3.6703   12.757    -15.9238  19.460    5.5644    16.893    7.8276  3.6717  9.5264  3.9755  -1.698819      5.411664 
1 1 1 16  -29 19 o 37.487  2.2566  202.551   22.439    198.996   31.768    206.090   31.699    37.128  3.2265  37.846  3.1558  -0.7182617     4.513268 
1 1 1 16  -29 20 o 14.867  3.1838  35.335    14.719    19.402    22.244    47.743    19.630    12.274  4.7509  17.460  4.2399  -5.185819      6.367677 
1 1 1 16  -29 21 o 11.263  3.0273  14.240    13.706    -1.2886   20.506    26.781    18.428    9.3264  4.1336  13.200  4.4241  -3.873167      6.054682 
1 1 1 16  -29 22 o 11.958  3.1886  18.734    13.998    27.046    21.195    12.305    18.642    13.261  4.7291  10.656  4.2784  2.605766       6.377213 
1 1 1 16  -29 23 o 7.7211  2.5112  -8.0379   11.817    -8.5293   18.066    -7.6704   15.622    7.9831  3.6728  7.4592  3.4257  0.5238051      5.022494 
1 1 1 16  -29 24 o 15.908  3.0714  42.652    15.574    14.014    23.132    66.394    21.062    11.311  4.6803  20.505  3.9784  -9.194415      6.142701 
1 1 1 16  -29 25 o 18.860  3.2813  59.374    16.747    79.488    25.100    43.236    22.483    21.961  4.4200  15.759  4.8509  6.202914       6.562603 
1 1 1 16  -29 26 o 24.112  2.9606  95.297    18.294    87.780    26.814    101.843   25.022    22.823  4.5460  25.400  3.7941  -2.576885      5.921291 
1 1 1 16  -29 27 o 20.375  3.2832  73.241    17.665    59.389    25.603    85.825    24.404    17.927  5.0929  22.822  4.1449  -4.894196      6.566445 
1 1 1 16  -29 28 o 10.581  3.1367  13.146    14.980    14.605    21.387    11.741    20.988    10.782  4.4841  10.380  4.3873  0.4021549      6.273431 
1 1 1 16  -29 29 f 10.992  3.1939  13.891    15.726    29.856    23.210    0.3425    21.382    12.869  4.8849  9.1137  4.1159  3.755758       6.387736 
1 1 1 16  -29 30 o 14.665  3.5516  42.129    16.854    47.317    24.348    37.355    23.353    15.444  5.0822  13.885  4.9626  1.558768       7.103267 
1 1 1 16  -29 31 o 9.4086  2.9744  2.8292    15.517    13.154    22.711    -6.2107   21.251    10.433  4.4911  8.3840  3.9011  2.049128       5.948824 
1 1 1 16  -29 32 o 9.7232  4.3430  6.9445    23.088    6.9445    23.088    0.0000    0.0000    9.7232  4.3430  ?       ?       ?              ?        
1 1 1 16  -29 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -29 34 o 11.542  3.3933  26.825    17.406    23.258    25.944    29.745    23.473    11.150  4.7998  11.935  4.7978  -0.7852306     6.786518 
1 1 1 16  -29 35 o 8.0066  2.7206  -12.0955  17.224    -23.1341  25.096    -2.2663   23.681    7.4956  3.6750  8.5177  4.0126  -1.022103      5.441226 
1 1 1 16  -29 36 o 13.342  3.6121  48.366    19.914    24.646    28.473    71.078    27.862    10.532  4.7537  16.152  5.4398  -5.620347      7.224212 
1 1 1 16  -28 0  o 20.865  2.5725  63.724    13.771    54.982    19.676    72.120    19.281    19.286  3.9420  22.444  3.3064  -3.157898      5.145006 
1 1 1 16  -28 1  o 8.5307  2.5567  1.2717    10.345    -5.9403   15.889    6.5786    13.630    7.9450  3.5717  9.1164  3.6591  -1.171432      5.113348 
1 1 1 16  -28 2  o 32.946  2.1838  152.469   19.045    153.807   26.991    151.143   26.878    33.095  3.0803  32.797  3.0963  0.2978058      4.367511 
1 1 1 16  -28 3  o 14.505  2.6490  30.844    11.639    10.076    16.832    49.873    16.112    10.394  4.1006  18.616  3.3546  -8.221532      5.298002 
1 1 1 16  -28 4  o 21.815  2.6409  68.836    14.868    72.007    21.446    65.902    20.630    22.315  3.7189  21.315  3.7506  1.000721       5.281759 
1 1 1 16  -28 5  o 20.852  2.7352  64.013    14.623    53.953    21.101    73.309    20.283    19.065  4.2417  22.639  3.4544  -3.573811      5.470366 
1 1 1 16  -28 6  o 27.616  2.3658  109.740   16.673    86.038    23.905    132.190   23.266    24.427  3.7754  30.804  2.8522  -6.377041      4.731675 
1 1 1 16  -28 7  o 18.775  2.7513  54.834    13.867    23.496    20.078    83.413    19.174    13.186  4.6119  24.364  3.0017  -11.17712      5.502686 
1 1 1 16  -28 8  o 14.203  2.8849  29.695    12.060    18.561    17.699    39.347    16.478    12.036  4.3183  16.371  3.8265  -4.335488      5.769739 
1 1 1 16  -28 9  o 48.924  2.0839  332.774   27.153    350.620   38.513    315.137   38.287    50.277  2.8718  47.570  3.0206  2.706947       4.167870 
1 1 1 16  -28 10 o 12.489  3.0250  20.039    12.414    29.111    18.559    12.693    16.699    14.149  4.4159  10.829  4.1356  3.319995       6.050055 
1 1 1 16  -28 11 o 15.070  2.8680  33.746    13.626    7.8212    20.428    54.527    18.289    10.757  4.4192  19.384  3.6567  -8.627016      5.735934 
1 1 1 16  -28 12 o 37.691  2.1781  199.191   21.736    214.633   30.726    183.723   30.753    39.233  2.9454  36.149  3.2095  3.084564       4.356218 
1 1 1 16  -28 13 o 29.213  2.4824  123.607   18.022    167.673   25.950    82.557    25.046    34.698  2.8165  23.728  4.0885  10.97032       4.964760 
1 1 1 16  -28 14 o 13.067  3.1161  22.383    13.176    33.535    20.025    13.868    17.498    15.010  4.5704  11.124  4.2369  3.885101       6.232214 
1 1 1 16  -28 15 o 59.478  2.1492  494.888   34.123    485.528   48.022    504.435   48.496    58.897  3.0546  60.060  3.0243  -1.163799      4.298456 
1 1 1 16  -28 16 f 35.138  2.2045  174.184   20.532    173.652   28.938    174.724   29.136    35.087  3.1115  35.189  3.1237  -0.1019249     4.408939 
1 1 1 16  -28 17 o 36.387  2.2114  187.174   21.319    197.728   30.341    176.883   29.961    37.451  3.0512  35.322  3.2017  2.129646       4.422719 
1 1 1 16  -28 18 o 13.823  3.1794  28.188    13.442    28.444    20.153    27.983    18.042    13.908  4.6259  13.739  4.3631  0.1692686      6.358888 
1 1 1 16  -28 19 o 6.8971  2.3069  -20.1835  10.906    -4.8958   17.614    -29.6877  13.888    8.4469  3.7817  5.3472  2.6431  3.099709       4.613774 
1 1 1 16  -28 20 o 9.6118  2.8532  4.5626    12.410    8.1237    18.330    1.5488    16.863    10.216  4.1903  9.0077  3.8736  1.208228       5.706429 
1 1 1 16  -28 21 o 23.606  2.8058  83.655    16.977    99.628    24.549    69.016    23.502    26.014  3.6216  21.199  4.2864  4.814341       5.611534 
1 1 1 16  -28 22 o 10.990  3.0648  13.275    13.162    14.819    20.268    12.150    17.308    11.410  4.5002  10.570  4.1619  0.8403683      6.129694 
1 1 1 16  -28 23 f 20.531  3.1235  65.980    16.644    74.407    24.621    58.887    22.587    21.794  4.3698  19.267  4.4642  2.526539       6.246966 
1 1 1 16  -28 24 o 12.684  3.1433  20.010    14.334    40.622    21.629    3.8684    19.140    15.755  4.7393  9.6136  4.1304  6.141747       6.286582 
1 1 1 16  -28 25 o 28.381  2.6283  123.103   19.258    115.119   28.660    129.675   26.004    27.219  4.0548  29.543  3.3452  -2.323496      5.256644 
1 1 1 16  -28 26 o 32.512  2.4310  158.976   20.839    162.420   30.037    155.780   28.934    32.822  3.4693  32.203  3.4062  0.6189613      4.861965 
1 1 1 16  -28 27 o 8.8654  2.7823  -0.1984   13.199    2.7075    18.978    -2.9213   18.371    9.2333  4.0384  8.4975  3.8284  0.7357912      5.564656 
1 1 1 16  -28 28 o 12.396  3.0252  17.422    14.528    47.939    21.795    -6.9772   19.489    16.520  4.7010  8.2716  3.8090  8.248231       6.050413 
1 1 1 16  -28 29 o 22.954  3.1825  90.410    18.841    85.096    27.119    95.368    26.195    22.005  4.7411  23.903  4.2470  -1.898355      6.365092 
1 1 1 16  -28 30 o 8.1390  2.6772  -8.5280   14.152    -4.2284   20.407    -12.5120  19.644    8.5566  3.9244  7.7215  3.6427  0.8351512      5.354470 
1 1 1 16  -28 31 o 12.577  3.3894  28.403    16.043    22.612    23.366    33.566    22.066    11.766  4.7667  13.388  4.8198  -1.621900      6.778783 
1 1 1 16  -28 32 o 6.4207  2.2290  -30.4957  13.240    -45.1409  18.662    -15.6512  18.788    5.6314  2.8266  7.2100  3.4472  -1.578577      4.457911 
1 1 1 16  -28 33 o 12.072  3.3891  24.835    17.026    40.338    24.787    10.984    23.429    13.960  5.0958  10.183  4.4696  3.776141       6.778294 
1 1 1 16  -28 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -28 35 o 13.841  3.5179  37.861    18.886    73.074    28.319    9.6529    25.346    17.819  5.4371  9.8633  4.4654  7.956146       7.035724 
1 1 1 16  -28 36 o 11.828  3.5427  32.492    19.413    38.253    28.351    27.408    26.636    12.376  5.1561  11.281  4.8599  1.094628       7.085479 
1 1 1 16  -28 37 o 8.2842  2.8088  -6.5711   18.006    -17.7671  25.164    5.1761    25.776    7.5855  3.7108  8.9830  4.2175  -1.397527      5.617640 
1 1 1 16  -27 0  o 14.201  2.8652  28.850    11.549    36.573    17.113    22.391    15.649    15.770  4.0349  12.632  4.0690  3.137325       5.730373 
1 1 1 16  -27 1  o 15.926  2.7575  36.898    11.756    44.827    17.063    29.733    16.221    17.568  3.7409  14.285  4.0521  3.282276       5.514932 
1 1 1 16  -27 2  o 12.184  2.7669  20.384    10.710    11.359    15.893    27.891    14.496    10.503  4.0289  13.865  3.7934  -3.362444      5.533733 
1 1 1 16  -27 3  o 5.4584  1.8438  -14.2739  7.6112    -20.3618  11.794    -9.9289   9.9637    5.3192  2.5887  5.5975  2.6262  -0.2782440     3.687533 
1 1 1 16  -27 4  o 30.567  2.1387  129.944   17.278    132.711   24.654    127.273   24.222    30.891  3.0181  30.242  3.0311  0.6495838      4.277426 
1 1 1 16  -27 5  o 26.283  3.1743  96.732    21.894    0.0000    0.0000    96.732    21.894    ?       ?       26.283  3.1743  ?              ?        
1 1 1 16  -27 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -27 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -27 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -27 9  o 33.839  4.9485  167.936   43.527    167.936   43.527    0.0000    0.0000    33.839  4.9485  ?       ?       ?              ?        
1 1 1 16  -27 10 o 27.293  3.3385  104.713   23.897    104.713   23.897    0.0000    0.0000    27.293  3.3385  ?       ?       ?              ?        
1 1 1 16  -27 11 o 27.050  2.5253  102.440   17.741    92.335    23.594    115.586   26.910    25.520  3.5476  28.580  3.5949  -3.059692      5.050617 
1 1 1 16  -27 12 o 22.972  2.7637  76.626    16.281    66.895    23.457    85.671    22.615    21.386  4.2448  24.558  3.5403  -3.172405      5.527392 
1 1 1 16  -27 13 o 9.7282  2.7441  7.6784    10.732    7.8735    15.977    7.5181    14.487    9.9203  3.9687  9.5362  3.7908  0.3840504      5.488243 
1 1 1 16  -27 14 o 23.227  2.9315  81.648    17.080    98.470    22.847    60.334    25.716    26.424  3.3001  20.030  4.8460  6.393740       5.862986 
1 1 1 16  -27 15 f 39.089  2.9339  212.277   30.494    212.277   30.494    0.0000    0.0000    39.089  2.9339  ?       ?       ?              ?        
1 1 1 16  -27 16 o 30.452  3.4066  131.191   27.310    131.191   27.310    0.0000    0.0000    30.452  3.4066  ?       ?       ?              ?        
1 1 1 16  -27 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -27 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -27 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -27 20 o 25.516  3.5148  93.886    23.384    0.0000    0.0000    93.886    23.384    ?       ?       25.516  3.5148  ?              ?        
1 1 1 16  -27 21 o 20.787  2.8786  64.429    15.418    84.049    22.581    47.295    21.102    24.017  3.6229  17.557  4.4742  6.459528       5.757109 
1 1 1 16  -27 22 o 30.850  2.3499  136.888   19.087    133.978   27.432    139.618   26.576    30.468  3.4205  31.232  3.2232  -0.7637043     4.699844 
1 1 1 16  -27 23 o 12.088  3.0664  18.566    13.098    29.414    19.088    8.9113    18.007    13.928  4.4946  10.248  4.1726  3.679315       6.132852 
1 1 1 16  -27 24 o 15.477  2.5708  33.215    14.562    -15.6398  21.403    75.325    19.870    8.2927  3.8773  22.661  3.3768  -14.36808      5.141674 
1 1 1 16  -27 25 o 18.182  3.1808  52.683    15.388    52.552    22.460    52.798    21.125    18.086  4.6197  18.278  4.3736  -0.1919003     6.361597 
1 1 1 16  -27 26 o 11.828  3.2046  18.682    14.229    16.321    21.172    20.627    19.214    11.587  4.5902  12.069  4.4730  -0.4811325     6.409151 
1 1 1 16  -27 27 o 10.998  3.0824  13.886    13.956    4.4772    20.881    21.482    18.762    9.9158  4.2873  12.080  4.4299  -2.164570      6.164826 
1 1 1 16  -27 28 o 17.612  3.1829  53.591    16.056    31.590    23.579    72.613    21.924    13.793  4.9800  21.432  3.9653  -7.638527      6.365864 
1 1 1 16  -27 29 o 12.847  3.3124  27.027    14.864    24.009    21.460    29.810    20.607    12.376  4.6972  13.319  4.6715  -0.9435205     6.624722 
1 1 1 16  -27 30 o 18.401  3.1686  58.524    16.511    87.440    24.107    32.971    22.661    23.153  4.0339  13.649  4.8875  9.503560       6.337208 
1 1 1 16  -27 31 o 23.677  3.0837  95.629    18.594    129.385   27.170    65.894    25.500    28.500  3.6425  18.853  4.9767  9.646742       6.167315 
1 1 1 16  -27 32 o 10.768  3.0680  8.3505    15.960    -19.9108  22.760    35.692    22.386    7.7796  3.7392  13.756  4.8650  -5.976505      6.135903 
1 1 1 16  -27 33 o 16.047  3.5254  50.501    18.050    72.678    26.020    29.929    25.061    19.458  4.9736  12.636  4.9977  6.822051       7.050766 
1 1 1 16  -27 34 o 8.5646  2.8225  -8.6320   16.277    -23.4914  23.303    5.5266    22.747    7.5512  3.6665  9.5781  4.2921  -2.026940      5.644922 
1 1 1 16  -27 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -27 36 o 23.288  3.9129  119.921   24.079    114.486   35.063    124.771   33.125    22.120  5.8342  24.456  5.2160  -2.336346      7.825860 
1 1 1 16  -27 37 o 9.0804  2.9959  0.1003    18.188    16.192    26.302    -14.6467  25.179    10.205  4.5909  7.9557  3.8504  2.249302       5.991823 
1 1 1 16  -27 38 o 11.004  3.3992  29.262    19.070    36.083    27.210    22.676    26.735    11.643  4.9613  10.364  4.6481  1.279254       6.798490 
1 1 1 16  -26 0  o 24.456  2.3448  84.160    14.918    78.378    21.242    89.788    20.957    23.559  3.4701  25.352  3.1544  -1.792677      4.689531 
1 1 1 16  -26 1  o 15.961  3.9940  36.984    17.034    0.0000    0.0000    36.984    17.034    ?       ?       15.961  3.9940  ?              ?        
1 1 1 16  -26 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -26 3  o 38.983  2.9201  209.249   30.269    209.249   30.269    0.0000    0.0000    38.983  2.9201  ?       ?       ?              ?        
1 1 1 16  -26 4  o 28.807  2.1583  115.427   16.314    104.512   23.231    126.047   22.915    27.387  3.2290  30.226  2.8646  -2.838821      4.316524 
1 1 1 16  -26 5  o 17.943  2.6800  46.255    12.571    62.303    18.279    31.850    17.318    21.022  3.3593  14.864  4.1766  6.157659       5.359962 
1 1 1 16  -26 6  o 22.996  2.3587  74.570    13.903    89.402    19.902    60.434    19.430    25.382  2.9844  20.610  3.6534  4.771912       4.717453 
1 1 1 16  -26 7  o 40.237  2.0271  222.535   21.699    228.397   30.752    216.723   30.622    40.779  2.8330  39.694  2.9002  1.084419       4.054273 
1 1 1 16  -26 8  o 34.317  2.1033  162.760   19.091    174.824   26.958    150.622   27.040    35.646  2.8473  32.989  3.0965  2.656872       4.206571 
1 1 1 16  -26 9  o 11.479  2.8136  16.743    10.507    18.588    15.767    15.268    14.091    11.937  4.0917  11.021  3.8631  0.9156761      5.627238 
1 1 1 16  -26 10 o 15.533  2.9632  34.532    12.847    44.742    18.668    25.346    17.707    17.565  4.0507  13.502  4.3261  4.063169       5.926436 
1 1 1 16  -26 11 o 9.7633  2.7699  7.1272    10.979    5.6843    16.812    8.1999    14.496    9.8192  4.0186  9.7073  3.8131  0.1119003      5.539762 
1 1 1 16  -26 12 o 29.219  2.2269  118.801   17.131    125.562   24.335    112.158   24.119    30.081  3.0630  28.357  3.2334  1.723995       4.453849 
1 1 1 16  -26 13 o 12.665  2.9365  22.013    11.655    16.662    17.541    26.243    15.596    11.777  4.2887  13.554  4.0126  -1.776916      5.873096 
1 1 1 16  -26 14 o 15.671  2.8841  35.749    12.597    24.066    17.807    47.454    17.824    13.215  4.3461  18.128  3.7927  -4.913202      5.768261 
1 1 1 16  -26 15 o 34.883  2.1190  168.607   19.577    157.307   27.406    180.379   27.974    33.651  3.0746  36.114  2.9168  -2.463268      4.238025 
1 1 1 16  -26 16 o 17.402  2.9325  45.535    13.750    31.297    20.275    57.660    18.710    14.750  4.6175  20.054  3.6162  -5.304844      5.865013 
1 1 1 16  -26 17 o 25.055  2.3412  88.623    15.306    84.605    21.736    92.575    21.558    24.444  3.4129  25.666  3.2058  -1.221552      4.682438 
1 1 1 16  -26 18 o 30.604  2.2482  131.058   18.141    139.070   26.192    123.671   25.151    31.525  3.1437  29.684  3.2148  1.841888       4.496419 
1 1 1 16  -26 19 f 24.767  2.4728  87.840    15.850    80.932    22.934    94.157    21.931    23.714  3.7341  25.821  3.2426  -2.107164      4.945511 
1 1 1 16  -26 20 o 14.758  2.9748  32.452    12.810    21.171    18.883    42.072    17.437    12.629  4.4679  16.887  3.9290  -4.258115      5.949693 
1 1 1 16  -26 21 o 17.176  4.5971  44.715    21.567    44.715    21.567    0.0000    0.0000    17.176  4.5971  ?       ?       ?              ?        
1 1 1 16  -26 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -26 23 o 31.705  3.2160  143.094   26.933    0.0000    0.0000    143.094   26.933    ?       ?       31.705  3.2160  ?              ?        
1 1 1 16  -26 24 o 23.399  2.7523  82.523    16.354    66.057    23.661    97.585    22.629    20.785  4.3878  26.013  3.3238  -5.227583      5.504601 
1 1 1 16  -26 25 o 27.493  2.5022  110.319   17.979    115.909   26.180    105.330   24.733    28.151  3.5511  26.836  3.5263  1.315279       5.004452 
1 1 1 16  -26 26 o 9.4057  2.8603  2.6423    12.966    2.2069    19.277    3.0020    17.522    9.5386  4.1218  9.2728  3.9670  0.2658463      5.720665 
1 1 1 16  -26 27 o 13.827  3.1989  28.363    14.230    42.419    20.997    16.422    19.353    16.207  4.6148  11.448  4.4313  4.758977       6.397892 
1 1 1 16  -26 28 o 17.086  3.1961  48.596    15.550    31.699    22.652    63.654    21.384    14.046  4.8994  20.127  4.1056  -6.081929      6.392205 
1 1 1 16  -26 29 o 8.5196  2.6506  -5.8581   12.903    -26.0738  19.157    10.930    17.457    6.8839  3.3383  10.155  4.1181  -3.271497      5.301234 
1 1 1 16  -26 30 o 10.970  3.0290  13.363    14.033    -2.6821   20.366    27.866    19.363    8.9124  4.0217  13.027  4.5305  -4.114717      6.058017 
1 1 1 16  -26 31 f 11.930  3.2178  20.821    15.111    7.6438    21.852    32.898    20.920    10.129  4.3825  13.731  4.7129  -3.602429      6.435669 
1 1 1 16  -26 32 o 15.263  3.3057  41.648    16.524    18.970    23.417    64.137    23.320    11.497  4.7283  19.030  4.6211  -7.533525      6.611453 
1 1 1 16  -26 33 o 7.3929  2.4748  -23.2314  13.639    3.5197    19.896    -46.9477  18.734    9.1756  4.0690  5.6103  2.8181  3.565292       4.949555 
1 1 1 16  -26 34 o 11.653  3.3517  20.527    17.407    4.3923    25.094    35.489    24.165    9.8520  4.4533  13.455  5.0104  -3.602683      6.703371 
1 1 1 16  -26 35 o 13.243  3.1144  19.048    17.817    -27.6759  24.581    70.774    25.863    7.5526  3.6890  18.933  5.0189  -11.38008      6.228806 
1 1 1 16  -26 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -26 37 o 12.595  3.3313  26.542    19.361    -17.1758  28.571    63.663    26.327    8.4268  4.0842  16.764  5.2640  -8.337289      6.662634 
1 1 1 16  -26 38 o 18.640  4.0392  89.006    22.285    103.561   32.585    76.217    30.544    20.391  5.7291  16.889  5.6956  3.501778       8.078449 
1 1 1 16  -26 39 o 9.6833  3.1803  13.952    19.813    23.400    29.033    5.7178    27.106    10.341  4.7196  9.0254  4.2643  1.315852       6.360662 
1 1 1 16  -25 0  o 52.703  2.0334  380.297   28.592    388.545   40.624    372.200   40.249    53.278  2.8571  52.128  2.8941  1.150558       4.066821 
1 1 1 16  -25 1  o 49.917  1.9742  340.717   26.286    347.831   37.235    333.650   37.114    50.447  2.7662  49.386  2.8174  1.060673       3.948372 
1 1 1 16  -25 2  o 44.201  1.9635  267.296   23.120    262.684   32.951    271.768   32.447    43.808  2.8232  44.593  2.7297  -0.7848587     3.927055 
1 1 1 16  -25 3  o 35.347  2.0002  171.550   18.748    161.895   26.622    181.050   26.407    34.325  2.9234  36.369  2.7308  -2.043724      4.000458 
1 1 1 16  -25 4  o 44.499  1.9654  270.813   23.300    265.449   33.148    276.052   32.758    44.047  2.8245  44.951  2.7337  -0.9042511     3.930769 
1 1 1 16  -25 5  o 66.194  2.0666  597.841   36.639    606.403   52.017    589.411   51.617    66.668  2.9130  65.719  2.9323  0.9487152      4.133233 
1 1 1 16  -25 6  o 25.086  2.2905  87.836    14.804    105.278   21.262    71.424    20.624    27.634  2.9165  22.537  3.5327  5.097246       4.581058 
1 1 1 16  -25 7  o 43.884  1.9757  263.336   23.071    246.218   32.319    281.124   32.946    42.402  2.8624  45.366  2.7239  -2.964176      3.951326 
1 1 1 16  -25 8  o 26.221  2.2573  95.582    15.483    102.709   21.907    88.469    21.887    27.251  3.0538  25.191  3.3251  2.060087       4.514605 
1 1 1 16  -25 9  o 14.428  2.8294  29.350    11.339    35.077    16.888    24.649    15.301    15.609  4.0161  13.246  3.9867  2.363590       5.658860 
1 1 1 16  -25 10 o 34.680  2.1188  166.143   19.349    187.503   27.408    144.923   27.319    36.988  2.7870  32.371  3.1923  4.616581       4.237648 
1 1 1 16  -25 11 o 82.319  2.2545  929.329   49.705    914.094   70.222    944.625   70.365    81.629  3.2117  83.010  3.1648  -1.380653      4.508989 
1 1 1 16  -25 12 o 14.461  2.9520  28.854    12.529    41.450    18.344    17.840    17.153    16.929  4.0911  11.993  4.2567  4.936431       5.903949 
1 1 1 16  -25 13 o 96.993  2.4517  1297.73   63.692    1282.50   89.969    1313.03   90.180    96.409  3.4840  97.578  3.4504  -1.168228      4.903451 
1 1 1 16  -25 14 o 10.355  2.7471  10.976    10.338    15.482    15.490    7.3578    13.882    11.280  4.0407  9.4299  3.7227  1.850012       5.494159 
1 1 1 16  -25 15 o 35.384  2.0841  172.671   19.567    177.923   27.801    167.514   27.544    35.932  2.9137  34.836  2.9806  1.096363       4.168185 
1 1 1 16  -25 16 o 31.078  2.1253  133.639   17.433    145.034   25.043    122.925   24.282    32.403  2.9167  29.754  3.0921  2.649370       4.250658 
1 1 1 16  -25 17 o 61.309  2.0488  515.879   33.638    507.497   47.700    524.171   47.444    60.797  2.9292  61.821  2.8652  -1.023479      4.097533 
1 1 1 16  -25 18 f 60.818  2.0545  508.317   33.468    508.150   47.494    508.482   47.169    60.802  2.9163  60.834  2.8948  -0.3129196E-01 4.109087 
1 1 1 16  -25 19 o 14.016  3.0124  28.151    12.279    29.518    18.143    26.995    16.679    14.309  4.3488  13.722  4.1696  0.5875883      6.024772 
1 1 1 16  -25 20 o 17.318  2.9156  43.758    13.454    55.029    19.663    33.836    18.448    19.452  3.9096  15.184  4.3264  4.268115       5.831126 
1 1 1 16  -25 21 o 38.156  2.0738  202.262   21.019    204.516   30.323    200.178   29.161    38.341  2.9760  37.971  2.8889  0.3703728      4.147543 
1 1 1 16  -25 22 o 34.929  2.1456  170.572   19.853    171.617   28.762    169.621   27.438    34.999  3.1002  34.858  2.9669  0.1414299      4.291123 
1 1 1 16  -25 23 o 40.514  2.0983  229.226   22.600    238.876   32.504    220.194   31.445    41.350  2.9542  39.678  2.9806  1.672096       4.196548 
1 1 1 16  -25 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -25 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -25 26 o 24.254  2.7584  89.177    16.912    71.202    24.775    104.860   23.141    21.529  4.4438  26.978  3.2692  -5.449310      5.516779 
1 1 1 16  -25 27 o 16.609  3.1726  42.682    14.829    57.243    21.729    29.987    20.288    19.208  4.3273  14.010  4.6406  5.197827       6.345125 
1 1 1 16  -25 28 o 13.408  2.9596  21.396    14.205    51.086    21.000    -3.6470   19.286    17.965  4.3993  8.8504  3.9601  9.114249       5.919168 
1 1 1 16  -25 29 o 18.708  3.2809  56.607    16.405    66.785    24.247    48.015    22.278    20.335  4.5638  17.081  4.7148  3.253366       6.561824 
1 1 1 16  -25 30 o 23.096  3.0524  85.135    18.139    99.365    26.430    72.463    24.940    25.173  4.0578  21.019  4.5610  4.154291       6.104766 
1 1 1 16  -25 31 o 38.475  2.3939  223.367   24.401    233.686   35.227    213.848   33.832    39.345  3.3754  37.605  3.3955  1.739681       4.787793 
1 1 1 16  -25 32 o 18.860  3.3694  62.400    17.526    83.074    25.617    44.208    24.030    22.179  4.4667  15.540  5.0457  6.639024       6.738780 
1 1 1 16  -25 33 o 15.946  3.5471  47.541    17.651    63.593    25.325    32.379    24.613    18.524  4.9917  13.369  5.0410  5.154993       7.094257 
1 1 1 16  -25 34 o 10.002  3.0977  7.0193    15.988    15.449    23.184    -0.6234   22.076    10.901  4.6095  9.1032  4.1393  1.797723       6.195323 
1 1 1 16  -25 35 o 15.016  2.8796  32.890    17.095    84.272    24.211    -18.2027  24.142    21.973  4.2674  8.0592  3.8676  13.91398       5.759285 
1 1 1 16  -25 36 o 6.9687  2.4197  -31.0745  15.652    -41.2013  22.410    -21.4294  21.871    6.5361  3.2523  7.4012  3.5837  -0.8651743     4.839423 
1 1 1 16  -25 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -25 38 f 11.959  3.6106  31.295    20.418    36.032    29.881    27.146    27.966    12.393  5.2364  11.525  4.9724  0.8676853      7.221126 
1 1 1 16  -25 39 o 8.5184  2.8794  -9.4040   19.068    -30.7204  27.571    10.139    26.399    7.4493  3.6896  9.5875  4.4215  -2.138224      5.758707 
1 1 1 16  -25 40 o 10.107  3.2401  11.165    20.609    52.253    30.117    -25.0153  28.261    12.715  5.3073  7.4993  3.7182  5.215783       6.480166 
1 1 1 16  -24 0  o 44.913  1.9699  275.340   23.570    265.362   33.196    285.485   33.472    44.077  2.8267  45.749  2.7443  -1.672264      3.939727 
1 1 1 16  -24 1  o 67.913  2.0784  628.336   37.791    609.029   53.538    647.508   53.351    66.853  2.9899  68.972  2.8879  -2.119370      4.156814 
1 1 1 16  -24 2  o 13.769  2.5343  26.844    10.234    11.621    14.701    41.158    14.255    10.445  3.9043  17.093  3.2321  -6.647941      5.068550 
1 1 1 16  -24 3  o 59.598  1.9865  482.790   31.710    488.525   45.001    477.133   44.691    59.952  2.8024  59.245  2.8163  0.7075233      3.973021 
1 1 1 16  -24 4  o 37.910  1.9459  196.243   19.599    208.483   27.858    184.249   27.577    39.106  2.6757  36.714  2.8260  2.392159       3.891763 
1 1 1 16  -24 5  f 23.357  2.2996  76.485    13.827    65.360    19.809    87.057    19.310    21.577  3.5512  25.136  2.9226  -3.559423      4.599190 
1 1 1 16  -24 6  f 47.139  1.9348  302.887   24.294    320.081   34.389    285.757   34.324    48.502  2.6572  45.776  2.8131  2.726372       3.869630 
1 1 1 16  -24 7  o 40.349  1.9865  222.435   21.277    203.319   29.920    241.992   30.264    38.555  2.9189  42.143  2.6952  -3.587460      3.972934 
1 1 1 16  -24 8  o 56.054  1.9904  427.552   29.815    410.081   41.946    445.394   42.387    54.845  2.8653  57.262  2.7636  -2.416782      3.980878 
1 1 1 16  -24 9  o 42.355  1.9762  244.761   22.290    238.313   31.298    251.397   31.753    41.782  2.8130  42.929  2.7764  -1.146839      3.952417 
1 1 1 16  -24 10 o 29.913  2.1821  123.482   17.153    136.254   24.345    110.891   24.172    31.511  2.9175  28.315  3.2458  3.195580       4.364251 
1 1 1 16  -24 11 o 40.825  1.9834  227.943   21.526    239.489   30.308    216.189   30.579    41.899  2.7152  39.750  2.8919  2.148777       3.966819 
1 1 1 16  -24 12 o 62.461  2.0302  531.212   33.963    520.710   47.762    541.954   48.303    61.832  2.8839  63.090  2.8584  -1.257973      4.060480 
1 1 1 16  -24 13 o 31.784  2.0956  138.836   17.549    122.647   24.392    156.209   25.268    29.809  3.1004  33.758  2.8203  -3.948322      4.191253 
1 1 1 16  -24 14 o 17.866  2.7311  46.024    12.760    57.327    18.117    34.897    17.975    20.156  3.4817  15.575  4.2088  4.581394       5.462222 
1 1 1 16  -24 15 o 73.898  2.1312  746.819   42.154    712.407   59.390    781.757   59.842    72.152  3.0731  75.644  2.9536  -3.491913      4.262340 
1 1 1 16  -24 16 o 47.565  1.9474  309.528   24.702    315.670   35.071    303.480   34.798    48.041  2.7369  47.089  2.7712  0.9520721      3.894867 
1 1 1 16  -24 17 o 9.6362  2.4809  5.2265    10.191    -16.3335  15.552    21.448    13.490    6.9022  3.2516  12.370  3.7478  -5.468065      4.961766 
1 1 1 16  -24 18 o 31.044  2.0774  133.171   17.058    132.762   24.520    133.555   23.745    30.979  2.9923  31.108  2.8825  -0.1285248     4.154827 
1 1 1 16  -24 19 o 25.856  2.3349  94.594    15.538    78.313    22.173    110.301   21.779    23.497  3.6410  28.216  2.9242  -4.719257      4.669897 
1 1 1 16  -24 20 o 41.593  2.0067  238.576   22.186    234.154   32.106    242.617   30.693    41.184  2.9296  42.001  2.7433  -0.8174744     4.013492 
1 1 1 16  -24 21 o 44.277  2.0243  271.479   23.788    252.434   34.209    289.311   33.101    42.693  3.0108  45.860  2.7067  -3.167316      4.048621 
1 1 1 16  -24 22 o 30.145  2.1968  126.864   17.437    138.713   25.081    115.781   24.257    31.559  3.0034  28.731  3.2069  2.828051       4.393682 
1 1 1 16  -24 23 o 32.728  2.1568  150.198   18.603    141.061   26.969    158.491   25.694    31.690  3.2220  33.766  2.8681  -2.075874      4.313587 
1 1 1 16  -24 24 f 28.984  2.3145  118.742   17.570    132.449   25.231    105.837   24.482    30.697  3.1116  27.271  3.4272  3.426016       4.629014 
1 1 1 16  -24 25 f 25.774  2.4774  95.518    16.533    108.368   23.588    83.107    23.181    27.623  3.2503  23.925  3.7398  3.697863       4.954854 
1 1 1 16  -24 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -24 27 o 34.641  3.1509  170.959   28.915    0.0000    0.0000    170.959   28.915    ?       ?       34.641  3.1509  ?              ?        
1 1 1 16  -24 28 o 19.362  3.1658  58.471    16.045    58.083    23.808    58.795    21.718    19.185  4.6758  19.538  4.2693  -0.3528557     6.331671 
1 1 1 16  -24 29 o 37.028  2.3159  199.810   22.613    184.607   32.575    213.949   31.414    35.480  3.4723  38.576  3.0656  -3.096020      4.631893 
1 1 1 16  -24 30 o 32.557  2.5107  159.251   21.208    137.270   30.645    179.457   29.382    30.031  3.9019  35.083  3.1607  -5.051346      5.021458 
1 1 1 16  -24 31 o 12.450  3.1842  19.645    15.449    -1.6751   22.118    39.955    21.588    9.4657  4.2377  15.434  4.7537  -5.968710      6.368359 
1 1 1 16  -24 32 o 20.328  3.1929  72.613    18.570    30.796    26.456    113.225   26.072    13.630  5.2054  27.025  3.6989  -13.39472      6.385785 
1 1 1 16  -24 33 o 14.400  3.2682  33.580    16.576    7.7142    23.325    59.972    23.561    10.338  4.5005  18.462  4.7402  -8.123090      6.536406 
1 1 1 16  -24 34 o 14.443  3.6018  39.297    17.569    46.631    24.874    31.996    24.818    15.592  5.1371  13.293  5.0500  2.298172       7.203631 
1 1 1 16  -24 35 o 12.468  3.5479  27.401    18.181    26.030    25.909    28.731    25.520    12.300  5.0061  12.636  5.0288  -0.3359613     7.095724 
1 1 1 16  -24 36 o 16.082  3.4370  50.145    19.367    14.497    27.601    84.717    27.182    10.973  4.8328  21.192  4.8883  -10.21896      6.874017 
1 1 1 16  -24 37 o 9.8905  3.1890  4.7864    18.698    6.7749    26.578    2.8377    26.310    10.064  4.5628  9.7174  4.4565  0.3462324      6.378075 
1 1 1 16  -24 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -24 39 o 8.4304  2.8517  -11.8808  18.575    3.7337    25.929    -28.3410  26.622    9.3026  4.3220  7.5583  3.7214  1.744326       5.703421 
1 1 1 16  -24 40 o 9.4473  3.1350  6.3365    20.353    -7.8145   28.541    20.979    29.033    8.5138  4.1152  10.381  4.7306  -1.866945      6.270033 
1 1 1 16  -23 0  o 39.328  1.9705  211.785   20.395    176.079   28.609    248.680   29.082    35.870  3.0055  42.786  2.5492  -6.916412      3.940969 
1 1 1 16  -23 1  o 13.038  2.5846  23.857    9.3800    25.248    13.664    22.616    12.900    13.377  3.6925  12.699  3.6176  0.6771879      5.169275 
1 1 1 16  -23 2  f 7.4956  2.1309  -2.9071   7.5919    11.413    11.152    -15.2736  10.364    9.7435  3.4351  5.2476  2.5225  4.495917       4.261749 
1 1 1 16  -23 3  o 25.943  2.0455  92.397    13.962    96.188    19.792    88.641    19.698    26.492  2.8332  25.394  2.9511  1.097988       4.091015 
1 1 1 16  -23 4  o 28.200  2.0198  108.932   15.033    104.672   21.309    113.152   21.211    27.631  2.9237  28.769  2.7876  -1.138210      4.039653 
1 1 1 16  -23 5  o 42.812  1.9133  249.128   21.802    234.332   30.642    264.297   31.026    41.504  2.7724  44.120  2.6375  -2.615929      3.826533 
1 1 1 16  -23 6  o 39.695  1.9284  214.964   20.291    235.254   28.576    194.330   28.818    41.631  2.5754  37.758  2.8709  3.872929       3.856788 
1 1 1 16  -23 7  o 42.830  1.9450  249.278   22.189    243.067   30.988    255.815   31.787    42.280  2.7514  43.379  2.7500  -1.099289      3.890056 
1 1 1 16  -23 8  o 38.858  1.9598  205.574   20.254    207.332   28.299    203.729   29.000    39.039  2.7234  38.676  2.8188  0.3637581      3.919519 
1 1 1 16  -23 9  o 59.434  2.0097  479.117   31.974    495.556   45.051    462.431   45.387    60.477  2.7811  58.391  2.9020  2.086182       4.019456 
1 1 1 16  -23 10 o 54.052  1.9923  397.234   28.733    403.547   40.322    390.720   40.956    54.502  2.7712  53.601  2.8630  0.9010162      3.984536 
1 1 1 16  -23 11 o 30.088  2.1072  124.256   16.707    113.836   23.555    134.806   23.701    28.775  3.1054  31.400  2.8490  -2.625116      4.214342 
1 1 1 16  -23 12 o 40.161  1.9867  219.764   21.229    211.767   29.718    228.096   30.335    39.406  2.8345  40.917  2.7845  -1.510788      3.973413 
1 1 1 16  -23 13 o 60.288  1.9862  493.482   32.068    497.932   45.077    488.922   45.630    60.572  2.7784  60.004  2.8391  0.5679741      3.972394 
1 1 1 16  -23 14 o 66.734  2.0422  605.445   36.501    599.145   51.438    611.835   51.806    66.382  2.8929  67.085  2.8831  -0.7027435     4.084317 
1 1 1 16  -23 15 o 30.805  2.0620  131.192   16.649    114.315   23.854    147.221   23.247    28.782  3.1455  32.827  2.6669  -4.045427      4.123905 
1 1 1 16  -23 16 o 27.088  2.2147  102.903   15.434    82.979    22.119    121.809   21.546    24.362  3.4894  29.813  2.7285  -5.451200      4.429494 
1 1 1 16  -23 17 o 26.513  2.1192  97.276    14.757    92.605    21.090    101.756   20.655    25.851  3.1081  27.175  2.8817  -1.324095      4.238480 
1 1 1 16  -23 18 o 21.227  2.5099  64.007    13.692    58.446    19.892    69.013    18.874    20.249  3.8074  22.205  3.2714  -1.956608      5.019791 
1 1 1 16  -23 19 o 14.899  2.8506  31.889    11.648    34.164    16.919    29.839    16.059    15.381  4.0506  14.417  4.0119  0.9641380      5.701126 
1 1 1 16  -23 20 f 25.329  2.2722  89.640    15.043    88.264    21.773    90.895    20.807    25.106  3.3192  25.551  3.1040  -0.4452572     4.544420 
1 1 1 16  -23 21 o 15.022  2.9096  32.528    12.149    38.704    17.492    26.773    16.886    16.314  4.0274  13.729  4.2003  2.584273       5.819163 
1 1 1 16  -23 22 o 33.118  2.0566  151.565   18.045    157.986   26.118    145.700   24.961    33.791  2.9141  32.445  2.9029  1.345718       4.113259 
1 1 1 16  -23 23 o 22.741  2.5572  73.481    14.804    94.124    21.797    55.805    20.170    25.892  3.2120  19.589  3.9799  6.302654       5.114316 
1 1 1 16  -23 24 o 29.415  2.2062  121.192   17.063    120.771   25.078    121.555   23.282    29.314  3.2486  29.516  2.9860  -0.2023544     4.412417 
1 1 1 16  -23 25 o 40.387  2.0648  227.168   22.157    219.734   31.746    234.230   30.939    39.693  3.0083  41.081  2.8290  -1.387775      4.129591 
1 1 1 16  -23 26 o 24.618  2.6286  88.097    16.680    81.826    24.360    93.633    22.887    23.641  3.9890  25.595  3.4244  -1.954020      5.257209 
1 1 1 16  -23 27 o 13.546  4.5767  26.362    19.723    26.362    19.723    0.0000    0.0000    13.546  4.5767  ?       ?       ?              ?        
1 1 1 16  -23 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -23 29 o 22.972  2.9143  80.332    17.186    74.089    25.102    85.839    23.579    21.910  4.4296  24.034  3.7881  -2.124256      5.828530 
1 1 1 16  -23 30 o 13.353  3.3332  26.184    14.988    32.674    21.704    20.269    20.722    14.436  4.8006  12.269  4.6256  2.167312       6.666472 
1 1 1 16  -23 31 o 22.640  3.1637  81.433    18.491    92.242    26.769    71.570    25.572    24.265  4.2750  21.015  4.6647  3.249489       6.327316 
1 1 1 16  -23 32 o 19.587  3.3339  64.038    17.287    61.790    24.578    66.238    24.319    19.164  4.7989  20.011  4.6293  -0.8469639     6.667823 
1 1 1 16  -23 33 o 11.945  3.3201  18.448    16.151    31.816    23.383    6.2515    22.334    13.713  4.9580  10.178  4.4171  3.535089       6.640264 
1 1 1 16  -23 34 o 12.410  3.4336  22.595    17.352    37.436    24.812    8.3896    24.275    14.317  5.1155  10.504  4.5815  3.812846       6.867172 
1 1 1 16  -23 35 f 18.762  3.7068  67.918    20.241    91.097    29.355    46.909    27.947    22.236  5.0447  15.288  5.4326  6.947785       7.413642 
1 1 1 16  -23 36 o 26.553  3.4739  129.580   23.761    121.786   33.862    137.140   33.350    25.382  5.1568  27.724  4.6562  -2.341953      6.947826 
1 1 1 16  -23 37 o 16.633  3.7671  58.423    21.036    85.487    29.811    31.582    29.687    20.518  5.3640  12.748  5.2908  7.770656       7.534251 
1 1 1 16  -23 38 o 14.970  5.6860  53.501    31.459    53.501    31.459    0.0000    0.0000    14.970  5.6860  ?       ?       ?              ?        
1 1 1 16  -23 39 o 11.156  3.5089  13.033    21.408    47.622    33.734    -10.2913  27.702    13.573  5.6371  8.7386  4.1802  4.834196       7.017860 
1 1 1 16  -23 40 o 15.895  3.6433  54.325    16.409    77.525    30.992    45.288    19.343    17.042  5.7372  14.747  4.4922  2.294408       7.286668 
1 1 1 16  -23 41 o 6.3264  2.1771  -13.9395  11.325    -52.7637  25.770    -4.6454   12.608    6.3022  3.1828  6.3507  2.9714  -0.4852915E-01 4.354272 
1 1 1 16  -22 0  o 33.941  1.9338  156.793   17.430    158.851   24.673    154.743   24.627    34.168  2.7185  33.714  2.7512  0.4537773      3.867685 
1 1 1 16  -22 1  o 53.135  1.9135  382.603   27.142    379.011   38.391    386.192   38.379    52.882  2.7196  53.388  2.6925  -0.5060883     3.827013 
1 1 1 16  -22 2  o 24.051  2.1047  79.437    13.236    72.876    18.483    86.342    18.963    22.997  3.0779  25.106  2.8716  -2.108751      4.209486 
1 1 1 16  -22 3  o 40.096  1.8669  218.128   19.923    209.626   28.242    226.550   28.109    39.303  2.6992  40.888  2.5798  -1.585590      3.733781 
1 1 1 16  -22 4  o 33.427  1.9337  152.386   17.071    135.485   24.136    169.303   24.148    31.525  2.8905  35.328  2.5695  -3.803261      3.867485 
1 1 1 16  -22 5  o 33.847  1.9487  155.764   17.476    143.258   24.475    168.771   24.962    32.435  2.8460  35.258  2.6628  -2.823360      3.897468 
1 1 1 16  -22 6  o 54.503  1.9305  402.056   28.104    416.812   39.493    386.915   40.003    55.566  2.6535  53.440  2.8045  2.126076       3.860904 
1 1 1 16  -22 7  o 50.580  1.9427  346.580   26.215    348.169   36.757    344.935   37.397    50.704  2.7164  50.455  2.7780  0.2497559      3.885315 
1 1 1 16  -22 8  o 54.187  1.9732  397.817   28.536    400.829   40.056    394.713   40.663    54.403  2.7579  53.971  2.8227  0.4319878      3.946363 
1 1 1 16  -22 9  o 50.620  1.9483  347.070   26.295    328.605   36.806    366.320   37.579    49.231  2.8028  52.008  2.7070  -2.777649      3.896572 
1 1 1 16  -22 10 o 42.412  1.9329  244.778   21.768    261.473   30.399    227.209   31.186    43.933  2.5949  40.890  2.8655  3.043091       3.865783 
1 1 1 16  -22 11 o 28.915  2.0585  113.966   15.680    103.261   21.630    125.821   22.763    27.458  2.9893  30.372  2.8307  -2.913860      4.116903 
1 1 1 16  -22 12 o 43.627  1.9204  258.213   22.320    254.659   31.032    262.023   32.126    43.321  2.6876  43.934  2.7438  -0.6123276     3.840799 
1 1 1 16  -22 13 o 76.107  2.1050  785.189   42.910    783.097   60.552    787.299   60.816    76.006  2.9744  76.208  2.9794  -0.2020569     4.209963 
1 1 1 16  -22 14 o 40.547  1.8824  223.364   20.329    225.980   28.919    220.809   28.584    40.783  2.6620  40.311  2.6623  0.4712524      3.764848 
1 1 1 16  -22 15 o 33.770  1.9985  156.372   17.808    140.306   25.428    171.836   24.947    32.008  3.0009  35.532  2.6401  -3.523888      3.996964 
1 1 1 16  -22 16 o 22.414  2.2631  69.769    13.092    81.054    18.860    59.275    18.187    24.250  2.9653  20.578  3.4197  3.671879       4.526297 
1 1 1 16  -22 17 o 73.477  2.0882  734.431   41.095    741.484   58.510    727.565   57.732    73.823  2.9590  73.131  2.9473  0.6916504      4.176381 
1 1 1 16  -22 18 o 26.163  2.2341  96.695    14.905    76.142    21.613    115.334   20.582    23.303  3.5768  29.023  2.6777  -5.719946      4.468109 
1 1 1 16  -22 19 o 54.089  1.9649  399.902   28.325    375.420   40.660    422.985   39.482    52.396  2.9086  55.783  2.6425  -3.387657      3.929732 
1 1 1 16  -22 20 o 70.812  2.0864  685.856   39.532    660.267   56.410    710.550   55.415    69.474  3.0314  72.150  2.8675  -2.676666      4.172777 
1 1 1 16  -22 21 o 41.939  1.9517  240.691   21.779    249.489   31.709    232.835   29.965    42.656  2.7907  41.223  2.7293  1.433109       3.903471 
1 1 1 16  -22 22 o 29.524  2.1604  121.977   16.636    105.673   23.979    137.108   23.100    27.494  3.3235  31.554  2.7610  -4.059952      4.320736 
1 1 1 16  -22 23 o 48.033  1.9502  316.668   24.964    334.539   35.828    299.802   34.804    49.369  2.7199  46.696  2.7955  2.673058       3.900344 
1 1 1 16  -22 24 o 22.434  2.5380  71.537    14.655    82.842    21.289    61.353    20.204    24.224  3.3726  20.644  3.7937  3.579979       5.076041 
1 1 1 16  -22 25 o 12.210  2.9648  19.541    11.867    24.883    16.924    14.372    16.646    13.258  4.2273  11.162  4.1580  2.095638       5.929511 
1 1 1 16  -22 26 o 15.312  3.0107  33.273    13.293    49.110    19.854    20.405    17.896    18.217  4.1601  12.407  4.3532  5.810719       6.021407 
1 1 1 16  -22 27 o 18.413  3.0786  51.140    14.934    47.305    22.053    54.388    20.297    17.668  4.6110  19.157  4.0806  -1.489100      6.157292 
1 1 1 16  -22 28 o 13.041  4.5286  23.736    19.343    23.736    19.343    0.0000    0.0000    13.041  4.5286  ?       ?       ?              ?        
1 1 1 16  -22 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -22 30 o 13.959  3.3333  28.680    15.067    37.705    21.823    20.460    20.827    15.497  4.7807  12.421  4.6463  3.076679       6.666527 
1 1 1 16  -22 31 o 12.190  3.3359  19.028    15.499    19.711    22.365    18.397    21.497    12.333  4.7665  12.048  4.6684  0.2853937      6.671846 
1 1 1 16  -22 32 o 37.091  2.5164  204.866   24.595    226.927   35.383    184.243   34.211    39.189  3.4047  34.993  3.7065  4.196339       5.032864 
1 1 1 16  -22 33 o 9.3255  2.9380  -0.8118   14.860    1.6875    21.141    -3.2521   20.891    9.5994  4.2287  9.0515  4.0799  0.5479422      5.875961 
1 1 1 16  -22 34 o 11.309  3.3165  14.985    16.524    19.317    23.736    10.912    23.018    11.863  4.8049  10.756  4.5727  1.106936       6.633003 
1 1 1 16  -22 35 o 15.195  3.3417  38.901    18.062    6.6362    25.598    70.892    25.489    10.449  4.6253  19.942  4.8243  -9.493436      6.683365 
1 1 1 16  -22 36 o 12.943  3.6142  30.125    18.502    32.845    26.709    27.615    25.654    13.288  5.1884  12.597  5.0328  0.6910009      7.228327 
1 1 1 16  -22 37 o 17.088  3.8066  60.668    20.379    78.903    29.008    42.898    28.635    19.858  5.3384  14.318  5.4280  5.540861       7.613272 
1 1 1 16  -22 38 o 15.089  3.2639  46.058    14.865    33.972    28.191    50.712    17.494    12.977  5.2434  17.202  3.8883  -4.224495      6.527813 
1 1 1 16  -22 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -22 40 f 13.839  3.6538  33.017    16.979    82.643    33.320    15.611    19.733    17.665  5.9488  10.013  4.2443  7.652337       7.307643 
1 1 1 16  -22 41 o 9.3548  3.0143  5.0887    14.446    32.002    28.361    -4.3411   16.787    11.418  4.9665  7.2919  3.4172  4.125861       6.028512 
1 1 1 16  -21 0  o 133.878 2.9158  2443.76   104.451   2327.49   148.149   2558.69   147.287   130.648 4.2336  137.109 4.0106  -6.460876      5.831657 
1 1 1 16  -21 1  o 49.232  1.9082  328.042   25.043    312.501   35.428    343.562   35.404    48.050  2.7644  50.413  2.6311  -2.363106      3.816319 
1 1 1 16  -21 2  o 71.465  2.0497  689.416   39.229    682.281   55.730    696.423   55.230    71.093  2.9267  71.837  2.8704  -0.7438736     4.099349 
1 1 1 16  -21 3  o 12.036  2.4916  19.982    8.6474    15.972    12.524    23.636    11.954    11.090  3.6448  12.982  3.3982  -1.891159      4.983176 
1 1 1 16  -21 4  o 70.466  2.0425  669.888   38.549    671.608   54.742    668.195   54.293    70.554  2.8967  70.378  2.8802  0.1765518      4.084908 
1 1 1 16  -21 5  o 58.094  1.9142  455.036   29.758    430.495   41.943    479.909   42.225    56.507  2.7712  59.680  2.6415  -3.173157      3.828468 
1 1 1 16  -21 6  o 37.416  1.9399  189.684   19.304    188.038   27.071    191.388   27.536    37.252  2.7321  37.580  2.7548  -0.3285065     3.879873 
1 1 1 16  -21 7  o 71.636  2.0792  692.585   39.874    665.067   56.239    720.401   56.543    70.196  2.9912  73.077  2.8888  -2.880920      4.158355 
1 1 1 16  -21 8  o 78.461  2.1480  831.234   45.135    812.642   63.717    849.959   63.945    77.574  3.0666  79.347  3.0087  -1.773392      4.296078 
1 1 1 16  -21 9  o 109.546 2.5666  1626.67   75.288    1583.83   106.534   1669.40   106.412   108.087 3.6798  111.005 3.5790  -2.918022      5.133254 
1 1 1 16  -21 10 o 68.251  2.0328  628.549   37.125    591.248   52.027    667.248   52.993    66.177  2.9351  70.325  2.8133  -4.147606      4.065691 
1 1 1 16  -21 11 f 33.734  2.0156  155.327   17.956    166.682   24.947    143.120   25.866    35.057  2.6770  32.411  3.0140  2.645412       4.031210 
1 1 1 16  -21 12 o 45.021  1.8925  274.370   22.715    273.742   31.813    275.023   32.443    44.972  2.6527  45.069  2.7000  -0.9712601E-01 3.785093 
1 1 1 16  -21 13 o 15.024  2.6379  32.259    10.905    20.541    15.727    43.109    15.133    12.495  4.0832  17.553  3.3407  -5.058068      5.275709 
1 1 1 16  -21 14 o 18.547  2.5849  48.282    12.379    53.525    17.826    43.399    17.204    19.562  3.5321  17.532  3.7752  2.030617       5.169881 
1 1 1 16  -21 15 o 33.845  1.9368  156.463   17.328    143.814   24.908    168.325   24.121    32.476  2.8938  35.215  2.5752  -2.739437      3.873688 
1 1 1 16  -21 16 o 11.978  2.6689  18.198    10.472    5.2186    15.308    29.616    14.358    9.4919  3.8538  14.464  3.6931  -4.971894      5.337705 
1 1 1 16  -21 17 o 46.176  1.8788  289.036   23.113    308.812   33.357    270.776   32.054    47.707  2.6206  44.646  2.6930  3.060276       3.757620 
1 1 1 16  -21 18 o 53.652  1.9280  391.021   27.626    381.342   39.624    400.176   38.538    52.951  2.8038  54.353  2.6471  -1.401958      3.855981 
1 1 1 16  -21 19 o 71.349  2.0680  692.294   39.514    691.641   56.414    692.921   55.363    71.305  2.9538  71.393  2.8952  -0.8766174E-01 4.136063 
1 1 1 16  -21 20 o 64.436  1.9982  565.620   34.442    542.427   49.248    587.823   48.185    63.110  2.9134  65.762  2.7356  -2.652573      3.996420 
1 1 1 16  -21 21 o 43.954  1.9030  263.758   22.284    264.904   32.080    262.690   30.977    44.033  2.7335  43.874  2.6484  0.1585808      3.806077 
1 1 1 16  -21 22 o 25.219  2.2342  88.835    14.675    84.069    21.469    93.014    20.106    24.513  3.3582  25.925  2.9478  -1.412788      4.468468 
1 1 1 16  -21 23 o 32.399  2.0644  144.482   17.699    152.686   25.841    137.233   24.291    33.266  2.9300  31.532  2.9089  1.734196       4.128754 
1 1 1 16  -21 24 f 26.309  2.1962  96.684    15.117    93.937    22.136    99.085    20.694    25.901  3.2631  26.717  2.9404  -0.8159542     4.392495 
1 1 1 16  -21 25 o 16.319  2.9394  39.587    13.078    30.186    19.295    47.577    17.788    14.504  4.4987  18.135  3.7844  -3.630855      5.878727 
1 1 1 16  -21 26 o 12.683  2.9152  20.356    12.679    3.3043    18.445    35.629    17.457    9.7924  4.1245  15.574  4.1208  -5.781387      5.830357 
1 1 1 16  -21 27 o 25.795  2.4913  95.297    16.652    88.479    24.233    101.397   22.921    24.795  3.7674  26.795  3.2609  -2.000374      4.982622 
1 1 1 16  -21 28 o 11.610  3.0826  15.919    12.981    16.051    18.734    15.797    18.003    11.683  4.3996  11.537  4.3190  0.1467381      6.165242 
1 1 1 16  -21 29 o 14.764  4.8471  32.403    22.153    32.403    22.153    0.0000    0.0000    14.764  4.8471  ?       ?       ?              ?        
1 1 1 16  -21 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -21 31 o 35.635  2.5114  184.880   23.501    211.370   34.128    160.992   32.409    38.219  3.3682  33.052  3.7259  5.167397       5.022703 
1 1 1 16  -21 32 o 14.743  3.5878  34.605    17.139    34.697    24.944    34.521    23.590    14.766  5.1418  14.721  5.0052  0.4536629E-01  7.175675 
1 1 1 16  -21 33 o 15.984  3.6099  41.708    18.756    21.473    26.092    63.343    26.980    12.702  5.0752  19.266  5.1350  -6.564587      7.219836 
1 1 1 16  -21 34 o 16.745  3.5575  49.680    17.650    39.228    26.044    58.557    24.003    14.976  5.2517  18.514  4.8002  -3.537952      7.114980 
1 1 1 16  -21 35 o 19.679  3.5817  69.485    19.550    91.720    28.571    49.908    26.809    23.048  4.7847  16.309  5.3312  6.739090       7.163442 
1 1 1 16  -21 36 o 11.056  3.3992  11.209    18.341    4.7743    23.462    21.322    29.413    9.9396  4.4127  12.171  5.1717  -2.231801      6.798348 
1 1 1 16  -21 37 o 15.560  3.3854  44.604    14.823    47.762    27.179    43.267    17.685    15.309  5.3652  15.812  4.1303  -0.5034838     6.770861 
1 1 1 16  -21 38 o 9.7724  2.9433  9.7610    11.743    15.664    24.632    8.0248    13.359    10.897  4.6837  8.6479  3.5656  2.248996       5.886534 
1 1 1 16  -21 39 o 7.7360  3.8031  -33.2161  27.448    -33.2161  27.448    0.0000    0.0000    7.7360  3.8031  ?       ?       ?              ?        
1 1 1 16  -21 40 o 11.871  3.0170  28.021    14.806    -6.9527   29.367    39.940    17.144    9.1490  4.3563  14.593  4.1750  -5.444378      6.033934 
1 1 1 16  -21 41 o 7.4320  2.5681  -18.0637  12.024    10.473    26.249    -25.6416  13.527    9.7326  4.4590  5.1315  2.5490  4.601157       5.136153 
1 1 1 16  -21 42 o 10.151  3.1985  16.920    15.268    41.497    30.771    8.8934    17.585    11.749  5.1403  8.5537  3.8076  3.195159       6.396968 
1 1 1 16  -20 0  o 115.509 2.6135  1806.17   80.837    1767.44   114.749   1844.32   113.898   114.263 3.7494  116.756 3.6421  -2.493752      5.227068 
1 1 1 16  -20 1  o 23.930  2.0887  78.770    12.993    88.208    18.246    69.060    18.506    25.452  2.7184  22.408  3.1719  3.043989       4.177430 
1 1 1 16  -20 2  o 44.795  2.2506  279.870   25.414    245.009   41.753    300.388   32.032    42.407  3.7133  47.184  2.5440  -4.776512      4.501108 
1 1 1 16  -20 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -20 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -20 5  o 44.449  4.3278  270.378   50.872    270.378   50.872    0.0000    0.0000    44.449  4.3278  ?       ?       ?              ?        
1 1 1 16  -20 6  o 121.368 3.2827  2017.71   100.493   2051.57   123.581   1951.62   172.664   123.187 3.7454  119.549 5.3922  3.638535       6.565361 
1 1 1 16  -20 7  o 50.580  1.9922  345.559   26.792    309.833   37.414    383.160   38.383    47.870  2.9321  53.289  2.6979  -5.418640      3.984448 
1 1 1 16  -20 8  o 168.153 3.4368  3850.25   154.719   3724.84   219.181   3974.79   218.434   165.374 4.9482  170.933 4.7709  -5.558975      6.873619 
1 1 1 16  -20 9  o 58.200  1.9927  456.512   30.987    432.345   43.312    481.853   44.352    56.581  2.8673  59.820  2.7681  -3.238827      3.985394 
1 1 1 16  -20 10 f 46.897  1.9311  297.901   24.083    311.634   33.385    283.001   34.776    48.049  2.6038  45.744  2.8525  2.304249       3.862130 
1 1 1 16  -20 11 o 30.032  2.0431  122.561   16.220    120.090   22.422    125.273   23.493    29.718  2.8519  30.346  2.9265  -0.6285343     4.086299 
1 1 1 16  -20 12 o 73.041  2.4603  719.191   45.814    711.465   56.730    733.678   77.682    72.636  2.9159  73.445  3.9635  -0.8092651     4.920524 
1 1 1 16  -20 13 o 42.473  3.9088  246.766   43.969    246.766   43.969    0.0000    0.0000    42.473  3.9088  ?       ?       ?              ?        
1 1 1 16  -20 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -20 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -20 16 o 67.552  2.8082  616.427   50.811    0.0000    0.0000    616.427   50.811    ?       ?       67.552  2.8082  ?              ?        
1 1 1 16  -20 17 o 25.050  2.2266  87.155    14.433    76.202    20.926    97.095    19.934    23.450  3.4332  26.650  2.8362  -3.200100      4.453190 
1 1 1 16  -20 18 o 62.297  1.9587  525.418   32.658    515.116   46.828    535.173   45.569    61.687  2.8341  62.907  2.7045  -1.219501      3.917459 
1 1 1 16  -20 19 o 62.429  1.9571  527.667   32.679    567.620   46.827    489.734   45.628    64.749  2.7001  60.110  2.8340  4.639160       3.914293 
1 1 1 16  -20 20 o 39.610  1.8851  213.237   19.867    224.433   28.719    202.961   27.513    40.613  2.6547  38.608  2.6771  2.005112       3.770189 
1 1 1 16  -20 21 f 36.717  1.9351  183.523   18.834    204.496   27.394    164.726   25.935    38.731  2.6567  34.703  2.8144  4.027782       3.870264 
1 1 1 16  -20 22 o 40.763  1.9690  227.707   21.306    218.042   30.871    236.499   29.443    39.893  2.9091  41.632  2.6542  -1.739250      3.938007 
1 1 1 16  -20 23 o 32.669  2.0300  146.407   17.558    156.593   25.538    137.275   24.180    33.758  2.8510  31.581  2.8905  2.176977       4.059977 
1 1 1 16  -20 24 o 49.854  1.9841  340.647   26.370    343.339   38.028    338.153   36.600    50.026  2.8498  49.682  2.7613  0.3442802      3.968166 
1 1 1 16  -20 25 o 27.477  2.3455  106.875   16.652    92.169    24.240    120.018   22.915    25.520  3.6502  29.433  2.9463  -3.913118      4.690909 
1 1 1 16  -20 26 o 17.550  2.9596  45.225    13.722    42.817    19.766    47.466    19.066    17.062  4.3206  18.038  4.0458  -0.9758797     5.919131 
1 1 1 16  -20 27 o 32.694  2.2433  149.114   19.365    155.004   28.392    143.989   26.481    33.279  3.2257  32.110  3.1183  1.168873       4.486545 
1 1 1 16  -20 28 o 31.336  2.3740  138.544   19.600    141.707   28.399    135.667   27.084    31.659  3.4024  31.013  3.3116  0.6458035      4.748012 
1 1 1 16  -20 29 o 26.103  2.8059  101.197   18.526    79.458    26.833    120.996   25.608    23.024  4.5125  29.182  3.3361  -6.158579      5.611813 
1 1 1 16  -20 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -20 31 o 19.613  3.5620  66.358    19.714    37.090    33.002    82.597    24.583    15.748  5.8570  23.479  4.0556  -7.731239      7.124094 
1 1 1 16  -20 32 o 19.263  3.1436  61.683    17.176    27.357    25.387    90.659    23.325    13.785  5.1350  24.740  3.6277  -10.95427      6.287181 
1 1 1 16  -20 33 o 10.461  3.1422  6.5185    15.512    0.3421    22.853    11.796    21.124    9.9340  4.3852  10.988  4.5016  -1.053823      6.284474 
1 1 1 16  -20 34 o 47.391  2.4901  336.578   31.368    332.609   44.792    340.397   43.944    47.028  3.5829  47.753  3.4591  -0.7255058     4.980186 
1 1 1 16  -20 35 o 15.947  3.3513  40.130    14.427    57.150    26.340    32.837    17.243    17.797  5.1996  14.098  4.2295  3.698197       6.702590 
1 1 1 16  -20 36 o 11.682  2.9899  22.249    12.483    7.8027    23.803    27.728    14.660    10.381  4.5320  12.984  3.9010  -2.602978      5.979748 
1 1 1 16  -20 37 o 10.434  3.0136  11.975    12.147    23.584    23.039    7.5050    14.295    12.035  4.7817  8.8334  3.6692  3.201461       6.027224 
1 1 1 16  -20 38 o 9.0750  2.8381  -0.3474   11.546    20.162    23.987    -6.5326   13.172    11.462  4.7562  6.6885  3.0981  4.773108       5.676268 
1 1 1 16  -20 39 o 15.829  3.4106  51.828    16.155    39.750    31.451    56.158    18.830    13.613  5.5249  18.046  4.0006  -4.432869      6.821283 
1 1 1 16  -20 40 o 15.026  4.4566  43.296    19.225    0.0000    0.0000    43.296    19.225    ?       ?       15.026  4.4566  ?              ?        
1 1 1 16  -20 41 o 9.4307  3.0263  6.5425    14.915    18.128    28.237    2.0588    17.566    10.648  4.7762  8.2130  3.7179  2.435461       6.052656 
1 1 1 16  -20 42 o 10.933  3.3494  25.109    16.634    36.707    32.322    20.930    19.400    11.585  5.1591  10.282  4.2730  1.302665       6.698875 
1 1 1 16  -19 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -19 1  o 84.397  2.5938  951.134   55.924    928.397   68.985    994.721   95.513    83.032  3.1018  85.761  4.1580  -2.728279      5.187515 
1 1 1 16  -19 2  o 63.827  1.9681  548.153   33.632    531.737   47.710    564.367   47.416    62.872  2.8331  64.782  2.7326  -1.910362      3.936223 
1 1 1 16  -19 3  o 96.717  2.2999  1259.87   59.579    1268.70   84.738    1251.24   83.785    97.051  3.2598  96.384  3.2454  0.6673813      4.599897 
1 1 1 16  -19 4  o 41.853  1.8859  236.406   21.028    230.673   29.594    242.251   29.884    41.336  2.6875  42.370  2.6465  -1.033939      3.771840 
1 1 1 16  -19 5  o 109.147 2.4914  1605.96   72.835    1616.15   103.324   1595.88   102.689   109.491 3.5231  108.802 3.5237  0.6889496      4.982859 
1 1 1 16  -19 6  o 88.741  2.2383  1060.82   53.161    1012.60   75.168    1109.07   75.193    86.712  3.2364  90.770  3.0928  -4.058105      4.476577 
1 1 1 16  -19 7  o 116.265 2.6466  1824.28   82.406    1791.83   116.676   1856.58   116.403   115.224 3.7805  117.306 3.7047  -2.081512      5.293119 
1 1 1 16  -19 8  o 74.344  2.0978  743.721   41.771    731.591   58.723    756.144   59.429    73.730  2.9735  74.959  2.9600  -1.228676      4.195641 
1 1 1 16  -19 9  f 17.257  2.6561  42.013    12.050    29.155    16.888    55.350    17.200    14.509  4.1413  20.004  3.3269  -5.495725      5.312129 
1 1 1 16  -19 10 o 81.059  2.1275  884.494   46.185    863.585   64.842    906.023   65.800    80.085  3.0229  82.033  2.9947  -1.948265      4.255090 
1 1 1 16  -19 11 o 47.748  1.9043  307.624   24.253    300.780   34.087    314.641   34.516    47.207  2.7072  48.289  2.6791  -1.082664      3.808687 
1 1 1 16  -19 12 o 116.198 2.5967  1824.33   80.817    1839.49   114.204   1809.11   114.380   116.686 3.6540  115.709 3.6906  0.9775085      5.193497 
1 1 1 16  -19 13 o 44.715  1.8914  270.064   22.534    283.245   32.065    257.203   31.674    45.804  2.6245  43.627  2.7242  2.177635       3.782753 
1 1 1 16  -19 14 o 68.616  1.9902  634.244   36.548    669.252   52.079    600.272   51.303    70.489  2.7584  66.742  2.8698  3.747124       3.980493 
1 1 1 16  -19 15 o 51.991  1.8696  364.273   25.977    379.997   37.291    349.450   36.207    53.118  2.6211  50.865  2.6669  2.253239       3.739281 
1 1 1 16  -19 16 o 37.901  1.9390  195.285   19.483    183.011   28.073    206.690   27.060    36.720  2.8773  39.082  2.5999  -2.361904      3.877915 
1 1 1 16  -19 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -19 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -19 19 o 26.806  2.0546  98.203    14.504    102.601   21.000    94.190    20.056    27.385  2.9074  26.227  2.9038  1.158470       4.109122 
1 1 1 16  -19 20 o 28.302  2.0779  109.530   15.494    112.510   22.730    106.943   21.176    28.651  3.0067  27.954  2.8689  0.6963043      4.155817 
1 1 1 16  -19 21 o 47.150  1.9214  302.176   24.146    303.960   34.839    300.527   33.496    47.272  2.7635  47.028  2.6702  0.2445869      3.842810 
1 1 1 16  -19 22 o 66.658  2.0427  604.247   36.458    601.766   52.196    606.611   50.946    66.510  2.9299  66.806  2.8471  -0.2961121     4.085432 
1 1 1 16  -19 23 o 51.921  1.9834  368.073   27.463    364.451   39.415    371.490   38.287    51.653  2.8601  52.189  2.7486  -0.5366592     3.966731 
1 1 1 16  -19 24 o 39.152  2.0283  210.064   21.106    216.499   30.591    204.218   29.156    39.718  2.8955  38.586  2.8410  1.131172       4.056552 
1 1 1 16  -19 25 o 11.224  2.7375  12.595    11.311    28.122    15.984    -2.9789   16.008    14.017  4.0375  8.4313  3.6977  5.585524       5.474941 
1 1 1 16  -19 26 o 42.920  2.0937  253.810   23.890    271.813   34.372    236.986   33.229    44.421  2.9049  41.420  3.0159  3.000671       4.187352 
1 1 1 16  -19 27 o 26.653  2.4878  101.646   17.014    84.872    24.575    117.087   23.578    24.325  3.9038  28.980  3.0849  -4.654366      4.975558 
1 1 1 16  -19 28 o 16.603  3.2545  41.059    15.000    38.517    21.571    43.438    20.872    16.118  4.7043  17.088  4.4986  -0.9697285     6.509031 
1 1 1 16  -19 29 o 40.213  2.3051  226.688   24.375    268.269   35.425    189.298   33.592    43.853  3.0346  36.574  3.4706  7.278511       4.610187 
1 1 1 16  -19 30 o 27.438  2.8025  109.835   19.365    145.718   28.369    78.527    26.499    32.013  3.3585  22.864  4.4873  9.149294       5.604925 
1 1 1 16  -19 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -19 32 o 25.521  2.9756  98.387    19.616    101.653   28.437    95.421    27.095    25.907  4.2451  25.136  4.1708  0.7713947      5.951124 
1 1 1 16  -19 33 o 24.286  2.6484  83.976    16.042    105.320   27.632    73.125    19.702    26.321  4.0491  22.252  3.4147  4.069574       5.296742 
1 1 1 16  -19 34 f 17.660  3.1683  47.660    14.175    59.881    25.502    42.196    17.052    18.897  4.9715  16.422  3.9292  2.474356       6.336700 
1 1 1 16  -19 35 o 28.416  2.5172  111.074   17.773    171.123   31.372    82.694    21.567    33.592  3.5401  23.241  3.5794  10.35037       5.034343 
1 1 1 16  -19 36 o 25.222  2.7416  94.316    17.195    127.555   30.018    78.083    20.978    28.106  4.1088  22.337  3.6310  5.768852       5.483257 
1 1 1 16  -19 37 o 8.5868  2.6703  2.4614    11.662    -12.0018  22.511    7.7669    13.634    8.3682  3.9329  8.8054  3.6130  -0.4371901     5.340551 
1 1 1 16  -19 38 o 23.522  3.3553  103.691   19.160    86.011    33.252    112.479   23.443    20.253  5.8206  26.791  3.3394  -6.538754      6.710550 
1 1 1 16  -19 39 o 10.963  3.1734  18.177    14.359    12.299    27.236    20.440    16.898    10.795  4.7751  11.132  4.1811  -0.3373880     6.346874 
1 1 1 16  -19 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -19 41 o 10.742  3.0060  20.118    14.620    -9.5633   28.741    30.480    16.982    8.8937  4.2553  12.590  4.2468  -3.696356      6.011902 
1 1 1 16  -19 42 o 14.607  3.6002  51.151    16.734    58.183    32.575    48.630    19.504    13.958  5.6375  15.255  4.4792  -1.297607      7.200353 
1 1 1 16  -18 0  o 163.792 3.3290  3632.72   145.906   3459.31   206.762   3804.73   205.924   159.852 4.8291  167.732 4.5835  -7.880295      6.657980 
1 1 1 16  -18 1  o 59.031  1.8878  468.388   29.826    447.484   42.167    489.320   42.194    57.708  2.7280  60.354  2.6101  -2.645821      3.775523 
1 1 1 16  -18 2  o 32.820  1.8820  145.746   16.382    137.660   23.143    153.866   23.191    31.893  2.7357  33.748  2.5852  -1.855663      3.763990 
1 1 1 16  -18 3  o 38.796  1.8480  203.048   19.088    198.422   26.843    207.781   27.149    38.346  2.6294  39.247  2.5973  -0.9015083     3.695912 
1 1 1 16  -18 4  o 250.807 4.8331  8590.93   324.663   8527.14   459.902   8654.29   458.387   249.852 6.8722  251.761 6.7976  -1.909088      9.666107 
1 1 1 16  -18 5  f 135.314 2.8811  2469.72   104.404   2427.29   148.038   2511.72   147.263   134.147 4.1201  136.481 4.0284  -2.334396      5.762186 
1 1 1 16  -18 6  o 16.238  2.7496  37.184    12.488    18.213    17.711    55.942    17.611    12.358  4.3310  20.118  3.3887  -7.759540      5.499145 
1 1 1 16  -18 7  o 33.959  1.8949  156.014   17.077    159.807   23.804    151.992   24.511    34.396  2.6031  33.521  2.7543  0.8743820      3.789732 
1 1 1 16  -18 8  o 35.919  1.9332  174.179   18.434    162.488   25.668    186.631   26.491    34.662  2.7884  37.176  2.6784  -2.514214      3.866372 
1 1 1 16  -18 9  o 94.958  2.3004  1213.40   58.492    1172.97   82.293    1254.67   83.154    93.355  3.2911  96.562  3.2151  -3.207443      4.600835 
1 1 1 16  -18 10 o 48.607  1.8572  318.424   24.086    321.557   33.866    315.216   34.263    48.853  2.5974  48.361  2.6553  0.4920654      3.714461 
1 1 1 16  -18 11 o 29.799  1.9280  120.347   15.200    127.863   21.682    113.083   21.314    30.730  2.6604  28.868  2.7913  1.861727       3.856084 
1 1 1 16  -18 12 o 115.562 2.5687  1801.70   79.463    1876.28   112.587   1727.68   112.170   117.961 3.5634  113.163 3.7007  4.797958       5.137377 
1 1 1 16  -18 13 o 31.745  1.9562  136.436   16.417    150.644   23.638    123.198   22.817    33.365  2.6674  30.125  2.8621  3.239960       3.912372 
1 1 1 16  -18 14 o 24.481  2.2453  83.846    13.966    65.118    20.178    101.072   19.351    21.681  3.6010  27.281  2.6830  -5.599695      4.490581 
1 1 1 16  -18 15 o 109.636 2.4961  1623.70   73.288    1606.13   104.224   1640.89   103.074   109.039 3.5686  110.233 3.4910  -1.193932      4.992161 
1 1 1 16  -18 16 o 85.015  2.1545  974.389   49.023    1027.68   69.989    923.061   68.686    87.307  2.9929  82.724  3.0999  4.583389       4.308932 
1 1 1 16  -18 17 o 84.325  2.1866  959.833   49.382    962.445   70.380    957.300   69.306    84.434  3.1120  84.217  3.0724  0.2174530      4.373161 
1 1 1 16  -18 18 o 64.362  1.9444  558.447   33.512    571.812   47.983    545.720   46.825    65.114  2.7512  63.611  2.7483  1.502460       3.888715 
1 1 1 16  -18 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -18 20 o 24.713  2.6168  80.627    15.923    98.231    28.312    72.484    19.257    26.521  4.1193  22.905  3.2283  3.615759       5.233583 
1 1 1 16  -18 21 o 94.382  2.3542  1211.10   59.512    1220.16   84.718    1202.29   83.617    94.726  3.3390  94.038  3.3197  0.6881256      4.708457 
1 1 1 16  -18 22 o 19.919  2.6327  56.569    13.444    49.136    19.679    63.073    18.410    18.567  4.0693  21.271  3.3415  -2.703362      5.265433 
1 1 1 16  -18 23 o 45.352  1.9639  280.693   23.702    272.939   34.213    287.850   32.866    44.720  2.8715  45.984  2.6800  -1.264584      3.927849 
1 1 1 16  -18 24 o 44.371  2.0417  270.962   23.971    244.102   34.584    295.798   33.256    42.168  3.0834  46.574  2.6771  -4.405914      4.083384 
1 1 1 16  -18 25 o 15.911  2.9567  36.160    12.881    44.738    18.862    28.663    17.634    17.599  4.0808  14.223  4.2795  3.375955       5.913315 
1 1 1 16  -18 26 o 37.494  2.1563  194.995   21.355    179.774   30.847    209.004   29.592    36.004  3.2331  38.984  2.8539  -2.979252      4.312525 
1 1 1 16  -18 27 o 20.242  2.8838  59.406    15.205    88.028    22.363    34.795    20.737    24.997  3.4305  15.487  4.6365  9.509395       5.767598 
1 1 1 16  -18 28 o 13.301  3.1689  24.164    13.387    26.323    19.132    22.092    18.739    13.720  4.5045  12.882  4.4583  0.8378525      6.337751 
1 1 1 16  -18 29 o 28.236  2.5935  113.676   19.078    125.099   27.300    102.771   26.672    29.718  3.4965  26.754  3.8314  2.963449       5.187033 
1 1 1 16  -18 30 o 49.900  2.2808  350.072   30.248    327.449   43.063    372.103   42.496    48.206  3.3561  51.593  3.0894  -3.387081      4.561520 
1 1 1 16  -18 31 o 33.957  3.5686  165.508   31.972    165.508   31.972    0.0000    0.0000    33.957  3.5686  ?       ?       ?              ?        
1 1 1 16  -18 32 o 28.590  2.8242  110.864   18.438    143.696   37.847    100.647   21.113    30.595  4.7743  26.585  3.0185  4.010099       5.648445 
1 1 1 16  -18 33 o 22.238  2.9934  84.748    15.682    52.820    27.480    100.169   19.098    17.898  5.3327  26.579  2.7210  -8.680967      5.986758 
1 1 1 16  -18 34 o 14.832  3.0022  23.339    13.096    67.108    24.743    6.3054    15.436    20.424  4.6298  9.2402  3.8233  11.18331       6.004440 
1 1 1 16  -18 35 o 25.784  2.9245  107.409   17.973    93.776    30.745    114.486   22.152    23.596  5.0189  27.972  3.0036  -4.375778      5.849002 
1 1 1 16  -18 36 o 23.848  2.8710  86.157    16.887    108.511   29.573    75.341    20.571    25.659  4.4650  22.037  3.6102  3.622553       5.741990 
1 1 1 16  -18 37 o 10.159  3.0078  10.631    12.525    12.580    24.371    9.9311    14.600    10.954  4.6822  9.3639  3.7770  1.589859       6.015659 
1 1 1 16  -18 38 o 16.571  3.3901  45.679    14.884    67.174    27.443    36.720    17.717    18.634  5.2654  14.507  4.2717  4.126977       6.780206 
1 1 1 16  -18 39 o 12.071  3.0438  25.530    14.535    -3.1431   26.543    37.811    17.371    9.5026  4.4002  14.640  4.2069  -5.137682      6.087674 
1 1 1 16  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -18 41 o 9.8639  3.0612  11.506    14.515    6.9413    29.011    13.030    16.763    10.094  4.6477  9.6342  3.9852  0.4593515      6.122334 
1 1 1 16  -18 42 o 10.672  3.2382  20.174    15.245    25.800    30.325    18.271    17.636    11.178  4.9861  10.166  4.1331  1.011736       6.476346 
1 1 1 16  -17 0  o 69.317  1.9965  646.418   36.979    595.084   52.308    697.704   52.284    66.554  2.9343  72.081  2.7081  -5.527252      3.992987 
1 1 1 16  -17 1  o 100.475 2.3298  1358.18   62.653    1305.19   88.951    1410.35   88.263    98.520  3.3708  102.430 3.2171  -3.910812      4.659634 
1 1 1 16  -17 2  o 68.881  1.9753  637.145   36.443    644.069   51.702    630.309   51.374    69.254  2.7873  68.509  2.7997  0.7445908      3.950588 
1 1 1 16  -17 3  o 155.146 3.1923  3246.93   132.641   3207.95   188.176   3285.42   186.995   154.210 4.5558  156.081 4.4729  -1.871185      6.384520 
1 1 1 16  -17 4  o 169.829 3.4170  3894.85   155.404   3819.26   220.301   3969.72   219.251   168.171 4.8907  171.486 4.7734  -3.314331      6.834066 
1 1 1 16  -17 5  o 151.133 3.1034  3079.64   125.628   3090.34   178.125   3069.04   177.209   151.393 4.3927  150.872 4.3852  0.5209503      6.206892 
1 1 1 16  -17 6  o 107.694 2.4546  1560.07   70.797    1536.01   100.244   1584.02   100.000   106.862 3.5023  108.527 3.4401  -1.665359      4.909204 
1 1 1 16  -17 7  o 111.555 2.5249  1674.39   75.440    1656.13   106.690   1692.65   106.688   110.944 3.5903  112.166 3.5511  -1.222244      5.049794 
1 1 1 16  -17 8  o 136.413 2.8571  2507.31   104.392   2493.30   147.628   2521.33   147.637   136.030 4.0518  136.797 4.0293  -0.7669983     5.714203 
1 1 1 16  -17 9  o 26.652  2.2193  99.483    14.601    63.468    20.399    137.325   20.910    21.414  3.6896  31.890  2.4672  -10.47555      4.438508 
1 1 1 16  -17 10 o 159.271 3.2277  3425.73   137.689   3460.80   194.738   3390.68   194.706   160.092 4.5414  158.449 4.5877  1.643463       6.455380 
1 1 1 16  -17 11 o 71.348  1.9773  684.057   37.774    707.298   53.566    661.067   53.276    72.557  2.7563  70.139  2.8358  2.417892       3.954621 
1 1 1 16  -17 12 o 23.503  2.2727  78.710    13.240    54.124    19.228    100.879   18.258    19.715  3.7787  27.291  2.5264  -7.575514      4.545453 
1 1 1 16  -17 13 o 104.334 2.3903  1465.86   66.796    1465.68   94.915    1466.04   94.019    104.325 3.3967  104.344 3.3640  -0.1829529E-01 4.780611 
1 1 1 16  -17 14 o 108.397 2.5016  1583.65   72.624    1611.59   103.396   1556.43   102.030   109.342 3.5304  107.452 3.5451  1.890656       5.003119 
1 1 1 16  -17 15 o 71.291  2.0010  683.575   38.201    693.469   54.754    674.191   53.324    71.792  2.8474  70.791  2.8123  1.000877       4.002075 
1 1 1 16  -17 16 o 20.717  2.4219  59.327    12.961    62.135    18.732    56.748    17.953    21.200  3.4149  20.235  3.4353  0.9650822      4.843802 
1 1 1 16  -17 17 o 32.140  2.0443  142.975   17.019    116.022   24.837    166.833   23.367    29.151  3.2356  35.130  2.4997  -5.979141      4.088696 
1 1 1 16  -17 18 o 40.793  1.8824  224.095   20.331    260.070   29.746    192.557   27.851    43.883  2.5416  37.703  2.7775  6.179695       3.764888 
1 1 1 16  -17 19 f 27.850  2.1983  108.115   15.737    89.027    23.126    124.575   21.476    25.415  3.4894  30.286  2.6749  -4.870960      4.396681 
1 1 1 16  -17 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -17 21 o 67.797  4.6280  633.931   83.540    0.0000    0.0000    633.931   83.540    ?       ?       67.797  4.6280  ?              ?        
1 1 1 16  -17 22 o 31.311  2.0800  133.220   17.180    148.534   25.344    120.200   23.369    32.990  2.8975  29.632  2.9850  3.357229       4.160002 
1 1 1 16  -17 23 o 46.146  1.9928  290.611   24.445    274.840   35.205    305.294   33.969    44.896  2.9439  47.396  2.6868  -2.500286      3.985659 
1 1 1 16  -17 24 o 14.732  2.9221  30.819    11.983    31.701    17.476    30.036    16.462    14.926  4.1962  14.538  4.0676  0.3877726      5.844105 
1 1 1 16  -17 25 o 26.024  2.4186  95.067    16.300    87.860    23.980    101.257   22.224    25.003  3.6917  27.044  3.1256  -2.040974      4.837160 
1 1 1 16  -17 26 o 36.658  2.1043  184.684   20.461    191.952   29.817    178.215   28.128    37.332  3.0074  35.984  2.9442  1.347950       4.208692 
1 1 1 16  -17 27 o 16.685  3.0640  40.635    14.177    52.956    20.058    28.335    20.040    19.129  4.0414  14.241  4.6064  4.888285       6.127910 
1 1 1 16  -17 28 o 26.892  2.5210  101.987   17.690    108.514   25.575    95.999    24.495    27.745  3.5206  26.039  3.6091  1.705595       5.041915 
1 1 1 16  -17 29 o 32.149  2.7244  147.943   22.572    151.627   29.633    142.851   34.840    32.834  3.4197  31.465  4.2420  1.368807       5.448765 
1 1 1 16  -17 30 o 85.476  2.3107  1014.75   52.670    1071.11   78.998    969.649   70.669    87.491  3.3710  83.460  3.1613  4.030830       4.621411 
1 1 1 16  -17 31 o 23.125  2.6326  73.329    15.192    94.836    26.074    62.277    18.692    25.488  3.9470  20.762  3.4847  4.726038       5.265154 
1 1 1 16  -17 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -17 33 o 10.897  2.9158  8.4474    11.342    28.717    20.875    -0.0426   13.510    13.854  4.7084  7.9403  3.4408  5.913285       5.831661 
1 1 1 16  -17 34 o 12.582  3.0795  19.053    12.103    37.246    22.030    11.188    14.485    15.245  4.8190  9.9193  3.8353  5.325829       6.158923 
1 1 1 16  -17 35 o 24.428  2.7797  84.170    16.856    127.493   29.065    62.216    20.690    28.895  3.8513  19.960  4.0092  8.935127       5.559311 
1 1 1 16  -17 36 o 15.344  3.2551  38.296    13.709    44.319    24.599    35.582    16.511    15.866  5.1005  14.823  4.0456  1.042253       6.510148 
1 1 1 16  -17 37 o 29.496  2.8496  142.614   20.453    126.531   33.674    152.016   25.746    27.115  4.8128  31.877  3.0527  -4.762291      5.699291 
1 1 1 16  -17 38 f 8.8000  2.8199  -3.3007   12.204    11.472    24.729    -8.0570   14.032    10.773  4.6616  6.8274  3.1745  3.945152       5.639875 
1 1 1 16  -17 39 o 15.333  3.1026  47.992    15.951    11.792    29.729    62.627    18.902    11.110  4.9476  19.556  3.7451  -8.446186      6.205224 
1 1 1 16  -17 40 o 8.2563  3.9986  -23.7672  27.264    -23.7672  27.264    0.0000    0.0000    8.2563  3.9986  ?       ?       ?              ?        
1 1 1 16  -17 41 o 11.277  3.2373  22.551    15.483    8.2053    30.919    27.353    17.887    10.437  4.8029  12.118  4.3419  -1.681039      6.474558 
1 1 1 16  -17 42 o 11.294  3.2194  7.6633    14.574    61.934    28.903    -10.8391  16.876    15.660  5.5290  6.9278  3.2997  8.732124       6.438774 
1 1 1 16  -16 0  o 77.903  2.0831  815.790   43.412    771.900   61.576    859.166   61.215    75.811  3.0324  79.994  2.8570  -4.183411      4.166285 
1 1 1 16  -16 1  o 95.268  2.2886  1220.35   58.343    1165.26   82.786    1274.72   82.236    93.122  3.3191  97.413  3.1518  -4.291733      4.577114 
1 1 1 16  -16 2  o 120.290 2.6222  1946.13   84.477    1928.33   119.938   1963.65   119.005   119.740 3.7396  120.840 3.6767  -1.100151      5.244349 
1 1 1 16  -16 3  o 68.326  1.9668  626.897   35.979    606.277   50.926    647.446   50.837    67.201  2.8293  69.451  2.7328  -2.249832      3.933570 
1 1 1 16  -16 4  o 51.386  1.8318  354.814   25.165    354.586   35.289    355.050   35.897    51.404  2.5630  51.369  2.6177  0.3491974E-01  3.663511 
1 1 1 16  -16 5  o 106.791 2.4309  1532.88   69.533    1537.43   98.446    1528.36   98.224    106.950 3.4366  106.633 3.4390  0.3160477      4.861806 
1 1 1 16  -16 6  o 131.799 2.7949  2337.93   98.659    2310.17   139.721   2365.54   139.330   131.014 3.9816  132.584 3.9234  -1.570236      5.589826 
1 1 1 16  -16 7  o 214.971 4.2039  6258.90   242.052   6215.70   342.580   6301.96   342.046   214.219 5.9705  215.721 5.9197  -1.501892      8.407780 
1 1 1 16  -16 8  o 150.681 3.1036  3060.20   125.236   2989.55   177.003   3131.02   177.219   148.929 4.4372  152.433 4.3405  -3.503952      6.207191 
1 1 1 16  -16 9  o 95.671  2.2978  1230.17   58.880    1216.57   83.186    1243.82   83.353    95.139  3.2644  96.202  3.2348  -1.062714      4.595671 
1 1 1 16  -16 10 o 141.780 2.9734  2708.78   112.914   2737.84   159.823   2679.82   159.546   142.543 4.1861  141.016 4.2240  1.526245       5.946889 
1 1 1 16  -16 11 o 96.313  2.2932  1247.18   59.155    1235.83   83.840    1258.43   83.477    95.874  3.2648  96.752  3.2212  -0.8777084     4.586397 
1 1 1 16  -16 12 o 44.242  1.8149  263.784   21.399    260.569   30.723    266.815   29.824    43.973  2.6203  44.510  2.5118  -0.5367966     3.629794 
1 1 1 16  -16 13 o 94.357  2.2716  1197.81   57.391    1178.13   81.802    1216.89   80.540    93.587  3.2633  95.127  3.1610  -1.539787      4.543231 
1 1 1 16  -16 14 o 73.494  2.0068  725.779   39.496    734.357   56.562    717.617   55.175    73.916  2.8569  73.072  2.8191  0.8438492      4.013628 
1 1 1 16  -16 15 o 48.604  1.8126  317.610   23.403    364.906   33.816    274.135   32.421    52.124  2.4221  45.083  2.6973  7.041058       3.625181 
1 1 1 16  -16 16 o 53.731  1.8701  388.664   26.847    386.878   38.679    390.324   37.294    53.574  2.7042  53.889  2.5838  -0.3150635     3.740155 
1 1 1 16  -16 17 o 130.799 2.8400  2313.78   99.498    2314.61   141.136   2312.96   140.289   130.819 4.0279  130.780 4.0049  0.3953552E-01  5.680087 
1 1 1 16  -16 18 o 45.774  1.9493  283.963   23.707    267.829   34.280    298.753   32.820    44.500  2.8917  47.049  2.6147  -2.549053      3.898568 
1 1 1 16  -16 19 o 99.344  2.3823  1333.41   63.388    1336.97   90.132    1329.93   89.164    99.472  3.3829  99.217  3.3552  0.2550583      4.764567 
1 1 1 16  -16 20 o 90.467  2.3202  1107.84   56.153    1052.49   79.790    1162.15   79.040    88.201  3.3775  92.734  3.1821  -4.533638      4.640382 
1 1 1 16  -16 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -16 22 o 11.692  3.0261  14.345    12.128    20.132    19.658    10.788    15.410    12.897  4.5591  10.486  3.9803  2.411219       6.052157 
1 1 1 16  -16 23 o 51.101  2.0123  354.867   27.409    353.776   39.587    355.872   37.985    51.008  2.9096  51.193  2.7807  -0.1845818     4.024645 
1 1 1 16  -16 24 o 20.846  2.6217  61.160    14.090    62.291    20.429    60.133    19.459    21.020  3.7668  20.673  3.6476  0.3464546      5.243483 
1 1 1 16  -16 25 o 21.204  2.6408  63.813    14.403    57.809    20.665    69.485    20.084    20.141  3.9718  22.267  3.4815  -2.125961      5.281655 
1 1 1 16  -16 26 o 17.276  2.8247  42.765    13.129    59.854    19.058    27.329    18.113    20.567  3.5900  13.985  4.3621  6.582142       5.649461 
1 1 1 16  -16 27 o 40.987  2.4173  232.263   25.827    228.080   33.429    238.458   40.681    40.658  3.0928  41.315  3.7159  -0.6567268     4.834595 
1 1 1 16  -16 28 o 68.721  2.1085  648.149   38.508    653.762   58.277    643.799   51.305    68.879  3.1588  68.562  2.7937  0.3166199      4.216976 
1 1 1 16  -16 29 o 63.067  2.0649  541.167   34.622    599.192   53.053    498.125   45.693    65.928  3.0044  60.206  2.8335  5.721626       4.129776 
1 1 1 16  -16 30 o 41.706  2.1308  245.015   22.860    227.977   36.488    256.024   29.330    40.274  3.4147  43.138  2.5498  -2.863728      4.261636 
1 1 1 16  -16 31 f 14.088  2.5916  17.913    11.026    59.710    20.265    0.3359    13.141    20.188  3.8887  7.9880  3.4269  12.20028       5.183239 
1 1 1 16  -16 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -16 33 o 25.993  2.7039  100.849   17.293    95.253    28.822    103.997   21.617    24.985  4.4710  27.001  3.0420  -2.015385      5.407743 
1 1 1 16  -16 34 o 11.267  3.0010  16.399    12.035    10.155    21.884    19.106    14.409    11.000  4.5522  11.533  3.9119  -0.5322084     6.002066 
1 1 1 16  -16 35 o 25.101  2.9269  100.271   17.753    87.904    29.817    107.063   22.097    23.110  4.9651  27.092  3.1009  -3.982327      5.853890 
1 1 1 16  -16 36 o 15.368  3.1432  41.666    14.489    23.369    25.070    50.843    17.755    12.719  5.0087  18.016  3.7989  -5.296734      6.286404 
1 1 1 16  -16 37 o 6.4227  2.1368  -14.1184  10.084    -47.9958  19.470    -1.6988   11.788    5.8252  2.9187  7.0201  3.1217  -1.194923      4.273583 
1 1 1 16  -16 38 o 10.289  3.0137  12.398    13.335    2.2962    25.116    16.363    15.735    9.9835  4.4892  10.594  4.0219  -0.6103811     6.027349 
1 1 1 16  -16 39 o 8.8149  2.5376  2.9085    11.838    -44.0923  23.508    18.876    13.701    6.7478  3.3533  10.882  3.8096  -4.134074      5.075179 
1 1 1 16  -16 40 o 12.409  5.2090  26.815    29.259    26.815    29.259    0.0000    0.0000    12.409  5.2090  ?       ?       ?              ?        
1 1 1 16  -16 41 o 26.130  3.4596  126.314   21.358    137.827   39.122    121.426   25.491    25.133  5.9107  27.127  3.5971  -1.993492      6.919228 
1 1 1 16  -16 42 f 12.123  3.4062  31.640    17.082    20.322    31.472    36.367    20.338    11.035  4.9875  13.211  4.6405  -2.176628      6.812427 
1 1 1 16  -15 0  o 106.788 2.4495  1534.68   69.914    1424.02   99.069    1644.47   98.679    102.934 3.5933  110.642 3.3298  -7.708656      4.898899 
1 1 1 16  -15 1  o 61.650  1.8779  510.047   30.999    527.556   43.958    492.726   43.722    62.704  2.6173  60.596  2.6938  2.108601       3.755891 
1 1 1 16  -15 2  o 87.425  2.1486  1026.14   50.306    1050.80   71.442    1001.89   70.848    88.468  3.0149  86.382  3.0621  2.086632       4.297212 
1 1 1 16  -15 3  o 8.4515  2.0120  0.9911    7.1345    19.526    10.438    -15.2618  9.7742    11.863  3.2079  5.0404  2.4294  6.822217       4.023975 
1 1 1 16  -15 4  o 139.984 2.9316  2637.06   109.913   2611.74   155.762   2662.19   155.122   139.310 4.1743  140.658 4.1174  -1.348312      5.863268 
1 1 1 16  -15 5  o 177.326 3.5028  4240.39   166.366   4228.52   235.702   4252.16   234.854   177.075 4.9696  177.577 4.9377  -0.5020599     7.005522 
1 1 1 16  -15 6  o 96.839  2.2757  1259.69   59.023    1274.46   83.442    1244.89   83.500    97.409  3.1982  96.269  3.2383  1.139923       4.551339 
1 1 1 16  -15 7  o 53.639  1.8785  385.967   26.983    379.326   37.665    392.969   38.674    53.166  2.6450  54.113  2.6683  -0.9466591     3.757040 
1 1 1 16  -15 8  o 169.096 3.4232  3856.22   155.045   3848.27   219.347   3864.16   219.188   168.921 4.8480  169.272 4.8344  -0.3517151     6.846456 
1 1 1 16  -15 9  o 100.693 2.3526  1362.71   63.439    1336.61   89.863    1388.64   89.569    99.728  3.3641  101.659 3.2895  -1.930420      4.705102 
1 1 1 16  -15 10 o 175.595 3.5434  4162.30   166.657   4181.39   235.967   4143.31   235.411   175.998 5.0056  175.192 5.0168  0.8063507      7.086857 
1 1 1 16  -15 11 o 69.958  1.9878  657.049   37.243    663.049   53.168    651.269   52.186    70.270  2.8248  69.645  2.7975  0.6252823      3.975657 
1 1 1 16  -15 12 o 89.899  2.1832  1086.33   52.548    1067.69   74.947    1104.35   73.698    89.136  3.1392  90.663  3.0348  -1.527359      4.366307 
1 1 1 16  -15 13 o 142.268 2.9751  2728.84   113.344   2678.07   160.837   2778.94   159.753   140.941 4.2605  143.594 4.1536  -2.653091      5.950122 
1 1 1 16  -15 14 f 62.951  1.8918  532.011   31.892    541.800   45.694    522.715   44.531    63.515  2.6860  62.387  2.6649  1.127270       3.783644 
1 1 1 16  -15 15 o 100.509 2.3255  1359.04   62.603    1371.11   89.121    1347.29   87.957    100.949 3.2960  100.070 3.2816  0.8784256      4.651077 
1 1 1 16  -15 16 o 103.797 2.4287  1451.25   67.505    1429.90   96.053    1472.08   94.891    103.035 3.4805  104.560 3.3882  -1.524460      4.857336 
1 1 1 16  -15 17 o 157.994 3.2774  3382.43   138.627   3266.93   196.313   3497.31   195.784   155.270 4.7204  160.718 4.5480  -5.448868      6.554864 
1 1 1 16  -15 18 o 172.909 3.5395  4065.38   163.887   3965.52   231.942   4164.94   231.600   170.754 5.0713  175.064 4.9392  -4.309708      7.079090 
1 1 1 16  -15 19 o 126.869 2.7937  2178.86   94.931    2172.17   134.590   2185.50   133.919   126.670 3.9669  127.068 3.9347  -0.3990173     5.587344 
1 1 1 16  -15 20 o 76.149  2.1329  782.052   43.496    789.262   62.231    775.165   60.818    76.489  3.0376  75.810  2.9951  0.6785049      4.265866 
1 1 1 16  -15 21 o 52.649  2.0094  375.621   28.174    363.867   40.731    386.405   39.013    51.835  2.9459  53.462  2.7336  -1.626450      4.018765 
1 1 1 16  -15 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -15 23 o 48.928  2.0482  325.580   26.682    313.743   38.286    336.759   37.205    48.037  2.9904  49.819  2.7995  -1.782139      4.096321 
1 1 1 16  -15 24 o 64.183  2.1030  559.208   36.150    553.891   51.346    564.434   50.905    63.873  3.0012  64.494  2.9468  -0.6207466     4.206091 
1 1 1 16  -15 25 o 54.096  1.9744  401.093   28.102    378.435   42.929    418.082   37.174    52.631  3.0584  55.561  2.4979  -2.930157      3.948868 
1 1 1 16  -15 26 o 43.078  1.9295  251.049   21.868    267.762   34.153    239.436   28.469    44.234  2.8986  41.923  2.5474  2.311161       3.858939 
1 1 1 16  -15 27 o 51.067  1.9807  356.024   26.682    362.844   41.077    351.047   35.092    51.412  2.9960  50.723  2.5916  0.6889648      3.961369 
1 1 1 16  -15 28 o 61.368  2.0749  519.645   33.604    498.027   51.099    536.119   44.606    60.071  3.1872  62.666  2.6575  -2.594193      4.149809 
1 1 1 16  -15 29 o 52.527  2.0126  376.173   27.943    405.128   43.143    355.249   36.674    54.187  2.9840  50.868  2.7014  3.318836       4.025162 
1 1 1 16  -15 30 o 40.970  2.1056  235.366   22.349    220.395   35.108    245.567   28.980    39.679  3.3343  42.262  2.5724  -2.582775      4.211253 
1 1 1 16  -15 31 o 12.436  2.9948  17.841    11.616    32.375    20.328    10.794    14.154    14.847  4.6196  10.026  3.8125  4.820901       5.989686 
1 1 1 16  -15 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -15 33 o 13.950  3.2045  28.491    13.179    29.920    23.012    27.793    16.076    14.268  4.9403  13.633  4.0826  0.6352644      6.408946 
1 1 1 16  -15 34 o 19.445  3.0925  62.016    15.122    47.906    26.368    68.933    18.460    17.145  5.2493  21.744  3.2708  -4.599524      6.184935 
1 1 1 16  -15 35 o 23.542  2.9528  88.606    16.818    76.141    28.379    95.353    20.880    21.495  5.0201  25.589  3.1104  -4.093351      5.905555 
1 1 1 16  -15 36 o 11.476  3.0511  10.900    12.115    36.731    23.333    1.3667    14.175    14.795  4.9781  8.1557  3.5293  6.639655       6.102238 
1 1 1 16  -15 37 o 18.183  3.1666  63.087    16.154    32.001    28.773    77.397    19.521    13.805  5.3866  22.560  3.3307  -8.754678      6.333170 
1 1 1 16  -15 38 o 10.942  2.9578  16.897    13.285    -4.8272   24.147    26.326    15.909    9.2713  4.2584  12.613  4.1060  -3.341537      5.915513 
1 1 1 16  -15 39 o 6.6886  2.2871  -15.8975  10.385    -11.8226  20.395    -17.3239  12.067    7.9446  3.7369  5.4326  2.6379  2.511937       4.574191 
1 1 1 16  -15 40 o 15.073  5.6847  48.833    31.304    48.833    31.304    0.0000    0.0000    15.073  5.6847  ?       ?       ?              ?        
1 1 1 16  -15 41 o 21.054  3.6767  89.922    19.826    87.929    35.965    90.791    23.763    19.090  6.1704  23.017  3.9996  -3.927197      7.353308 
1 1 1 16  -15 42 o 16.304  3.7503  59.937    18.276    65.263    33.653    57.709    21.766    15.582  5.8899  17.026  4.6441  -1.444019      7.500627 
1 1 1 16  -14 0  o 119.902 2.6211  1934.60   84.038    1812.52   119.131   2055.53   118.566   116.118 3.8303  123.686 3.5789  -7.568787      5.242143 
1 1 1 16  -14 1  o 124.276 2.6838  2076.86   89.298    2013.96   126.633   2139.07   125.941   122.395 3.8627  126.156 3.7271  -3.761070      5.367678 
1 1 1 16  -14 2  o 61.923  1.8631  514.458   30.900    509.973   43.721    518.934   43.679    61.652  2.6476  62.193  2.6221  -0.5404167     3.726245 
1 1 1 16  -14 3  o 44.627  1.8040  268.093   21.417    243.684   29.972    293.559   30.614    42.536  2.6438  46.717  2.4552  -4.181629      3.607984 
1 1 1 16  -14 4  o 158.049 3.2129  3364.08   135.991   3303.53   192.596   3424.28   192.045   156.621 4.5910  159.476 4.4959  -2.855011      6.425780 
1 1 1 16  -14 5  o 101.444 2.3124  1382.26   62.825    1360.86   88.888    1403.62   88.807    100.657 3.2969  102.231 3.2432  -1.574020      4.624721 
1 1 1 16  -14 6  o 29.074  2.0082  114.322   15.407    105.090   21.336    124.383   22.273    27.830  2.9050  30.318  2.7735  -2.487509      4.016394 
1 1 1 16  -14 7  o 197.470 3.9109  5269.90   206.654   5002.94   292.267   5536.81   292.240   192.423 5.6706  202.517 5.3875  -10.09370      7.821867 
1 1 1 16  -14 8  o 218.017 4.2386  6430.23   247.512   6423.07   350.379   6437.37   349.691   217.893 6.0035  218.142 5.9849  -0.2490845     8.477099 
1 1 1 16  -14 9  o 181.860 3.6263  4463.82   176.550   4641.81   250.268   4287.50   249.094   185.493 5.0372  178.226 5.2180  7.267197       7.252632 
1 1 1 16  -14 10 o 64.970  1.9119  566.282   33.264    581.308   47.616    551.958   46.489    65.812  2.7012  64.129  2.7065  1.683220       3.823836 
1 1 1 16  -14 11 o 114.656 2.5624  1768.02   78.675    1742.75   111.892   1792.74   110.646   113.839 3.6696  115.472 3.5774  -1.632980      5.124818 
1 1 1 16  -14 12 o 171.601 3.4976  3974.75   160.751   3938.02   227.822   4011.17   226.854   170.802 4.9798  172.400 4.9127  -1.597183      6.995237 
1 1 1 16  -14 13 o 158.977 3.2727  3409.35   139.345   3371.96   197.422   3446.48   196.707   158.099 4.6620  159.854 4.5942  -1.754150      6.545314 
1 1 1 16  -14 14 o 56.446  1.8889  427.985   28.531    422.785   41.112    432.817   39.627    56.111  2.7354  56.780  2.6056  -0.6688652     3.777792 
1 1 1 16  -14 15 o 52.457  1.8630  369.917   26.106    371.643   37.767    368.337   36.126    52.537  2.6929  52.377  2.5751  0.1599083      3.725943 
1 1 1 16  -14 16 o 12.216  2.6770  17.992    10.403    31.113    15.260    6.5994    14.219    14.913  3.8072  9.5182  3.7645  5.394988       5.354060 
1 1 1 16  -14 17 o 57.563  1.9295  445.539   29.725    438.924   42.728    451.742   41.379    57.144  2.7916  57.982  2.6644  -0.8378677     3.858999 
1 1 1 16  -14 18 o 155.222 3.2411  3263.19   134.736   3329.68   190.950   3197.26   190.143   156.811 4.5463  153.633 4.6207  3.177460       6.482214 
1 1 1 16  -14 19 o 120.364 2.6840  1957.46   86.526    1981.54   122.741   1933.68   121.996   121.103 3.7840  119.625 3.8075  1.477913       5.367958 
1 1 1 16  -14 20 o 45.063  2.0012  274.038   24.009    289.303   34.826    260.212   33.144    46.262  2.8241  43.863  2.8362  2.398090       4.002446 
1 1 1 16  -14 21 o 72.990  2.1422  719.131   41.819    770.601   59.553    669.064   58.736    75.583  2.9416  70.397  3.1150  5.185936       4.284457 
1 1 1 16  -14 22 o 73.230  4.4147  734.419   86.187    734.419   86.187    0.0000    0.0000    73.230  4.4147  ?       ?       ?              ?        
1 1 1 16  -14 23 o 66.874  2.8069  606.357   49.746    662.106   75.619    563.824   66.050    69.528  4.0784  64.219  3.8578  5.308746       5.613865 
1 1 1 16  -14 24 o 55.650  1.9564  420.202   28.821    416.435   43.765    423.087   38.299    55.348  2.9629  55.952  2.5556  -0.6036415     3.912757 
1 1 1 16  -14 25 o 31.933  2.0232  141.528   16.628    129.755   26.122    149.547   21.559    30.702  3.2248  33.164  2.4442  -2.462494      4.046437 
1 1 1 16  -14 26 o 19.890  2.4523  56.839    12.116    51.037    19.674    60.385    15.379    18.889  4.0124  20.891  2.8205  -2.002178      4.904576 
1 1 1 16  -14 27 o 20.592  2.3813  57.686    12.402    69.183    20.303    50.843    15.664    22.161  3.5395  19.024  3.1867  3.136513       4.762688 
1 1 1 16  -14 28 o 19.857  2.4551  51.345    12.154    84.267    20.324    33.017    15.164    24.580  3.1602  15.135  3.7580  9.444803       4.910162 
1 1 1 16  -14 29 o 24.640  2.3932  84.761    14.964    88.358    24.254    82.550    19.014    24.935  3.7473  24.346  2.9780  0.5896816      4.786491 
1 1 1 16  -14 30 o 42.834  2.0502  249.501   23.114    280.997   36.174    227.768   30.049    45.035  3.0163  40.632  2.7777  4.402855       4.100425 
1 1 1 16  -14 31 o 52.455  2.1091  382.000   29.142    383.447   44.855    380.943   38.334    52.392  3.2119  52.519  2.7345  -0.1261139     4.218265 
1 1 1 16  -14 32 o 35.649  3.5876  181.515   33.792    181.515   33.792    0.0000    0.0000    35.649  3.5876  ?       ?       ?              ?        
1 1 1 16  -14 33 f 12.471  3.0452  22.147    12.236    14.412    22.037    25.595    14.712    11.793  4.6794  13.149  3.8983  -1.355754      6.090475 
1 1 1 16  -14 34 o 13.542  3.1906  27.299    12.980    25.213    23.867    28.175    15.467    13.442  4.9846  13.641  3.9840  -0.1994686     6.381106 
1 1 1 16  -14 35 o 33.007  2.5366  162.377   21.068    156.234   34.580    166.002   26.567    32.002  4.1307  34.012  2.9453  -2.010090      5.073212 
1 1 1 16  -14 36 o 9.6721  2.8688  7.2341    12.155    1.5466    21.592    9.8728    14.707    9.7345  4.2813  9.6096  3.8197  0.1249161      5.737551 
1 1 1 16  -14 37 o 10.366  3.0587  9.9004    13.146    14.475    24.025    7.9455    15.706    11.376  4.7435  9.3558  3.8627  2.019708       6.117348 
1 1 1 16  -14 38 o 20.188  3.3151  68.818    16.809    76.961    29.251    64.804    20.539    20.398  5.3042  19.978  3.9782  0.4200096      6.630263 
1 1 1 16  -14 39 o 34.000  2.6785  180.475   22.657    199.878   39.289    170.807   27.733    34.479  4.3513  33.522  3.1247  0.9565468      5.356997 
1 1 1 16  -14 40 o 27.755  5.2103  143.883   37.311    143.883   37.311    0.0000    0.0000    27.755  5.2103  ?       ?       ?              ?        
1 1 1 16  -14 41 o 16.181  3.6752  52.473    17.235    59.787    31.776    49.424    20.516    16.079  5.7843  16.284  4.5356  -0.2046299     7.350491 
1 1 1 16  -14 42 o 13.646  3.5349  39.381    16.099    43.776    31.335    37.805    18.766    13.429  5.4899  13.864  4.4547  -0.4354849     7.069868 
1 1 1 16  -13 0  o 98.603  2.3075  1307.88   60.798    1207.96   86.198    1406.80   85.767    94.838  3.3933  102.368 3.1280  -7.529755      4.615066 
1 1 1 16  -13 1  f 37.409  1.6956  188.782   16.853    204.700   23.843    172.888   23.824    39.003  2.2923  35.815  2.4991  3.188004       3.391241 
1 1 1 16  -13 2  o 65.724  2.2113  583.524   37.275    570.742   61.744    590.854   46.756    65.083  3.5554  66.365  2.6303  -1.281715      4.422615 
1 1 1 16  -13 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -13 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -13 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -13 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -13 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -13 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -13 9  o 52.652  3.8129  374.690   53.407    0.0000    0.0000    374.690   53.407    ?       ?       52.652  3.8129  ?              ?        
1 1 1 16  -13 10 o 93.110  2.2217  1163.97   55.398    1194.97   79.051    1134.05   77.656    94.329  3.1287  91.891  3.1551  2.438263       4.443391 
1 1 1 16  -13 11 o 108.741 2.4211  1588.84   70.513    1612.99   100.303   1565.24   99.148    109.559 3.4181  107.924 3.4299  1.635109       4.842232 
1 1 1 16  -13 12 o 227.378 4.4308  7006.53   269.819   6896.36   381.918   7116.31   381.245   225.570 6.3212  229.186 6.2105  -3.616287      8.861599 
1 1 1 16  -13 13 o 126.824 2.7584  2164.54   93.693    2149.42   133.042   2179.42   131.967   126.380 3.9303  127.268 3.8713  -0.8880234     5.516702 
1 1 1 16  -13 14 o 171.094 3.4462  3951.67   157.915   3900.22   223.724   4002.76   222.930   169.973 4.9141  172.215 4.8329  -2.242310      6.892422 
1 1 1 16  -13 15 f 188.599 3.7320  4811.16   188.511   4749.67   266.906   4872.37   266.284   187.383 5.3179  189.816 5.2375  -2.433212      7.464009 
1 1 1 16  -13 16 o 50.960  1.8655  349.622   25.349    350.293   36.724    349.012   35.034    51.000  2.6979  50.919  2.5771  0.8124542E-01  3.730985 
1 1 1 16  -13 17 o 114.461 2.6321  1764.85   80.692    1791.98   114.611   1738.18   113.626   115.335 3.7100  113.586 3.7348  1.749039       5.264300 
1 1 1 16  -13 18 o 103.180 2.4424  1433.93   67.473    1489.51   95.958    1379.57   94.894    105.166 3.4066  101.194 3.5010  3.971252       4.884857 
1 1 1 16  -13 19 o 58.911  2.0370  466.971   32.133    466.336   45.989    467.576   44.916    58.869  2.9166  58.954  2.8444  -0.8506775E-01 4.073992 
1 1 1 16  -13 20 o 108.047 2.5529  1578.16   73.771    1680.09   104.444   1476.68   104.212   111.560 3.4953  104.534 3.7220  7.026787       5.105893 
1 1 1 16  -13 21 o 72.009  2.0859  703.724   39.882    656.259   59.210    743.144   53.959    69.735  3.1700  74.283  2.7120  -4.548622      4.171759 
1 1 1 16  -13 22 o 62.488  1.9598  521.335   32.635    584.865   49.173    471.322   43.630    65.854  2.7878  59.122  2.7552  6.732063       3.919521 
1 1 1 16  -13 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -13 24 o 51.023  1.9678  356.266   26.435    327.948   39.893    378.437   35.298    49.099  3.0485  52.946  2.4890  -3.846737      3.935513 
1 1 1 16  -13 25 o 62.767  2.0623  540.904   34.155    490.676   50.999    581.756   45.993    59.975  3.1861  65.558  2.6193  -5.582851      4.124556 
1 1 1 16  -13 26 o 42.256  1.9375  238.302   21.570    289.803   33.315    201.134   28.302    46.128  2.7083  38.385  2.7715  7.743202       3.875036 
1 1 1 16  -13 27 o 35.944  1.9883  171.559   18.617    225.949   29.144    134.063   24.198    40.670  2.6906  31.219  2.9280  9.450853       3.976502 
1 1 1 16  -13 28 o 9.7902  2.4144  10.318    9.1266    -9.9246   15.880    20.301    11.152    7.6110  3.4801  11.969  3.3476  -4.358494      4.828844 
1 1 1 16  -13 29 o 58.041  2.0593  460.349   31.732    480.759   48.173    444.706   42.174    59.068  3.0553  57.013  2.7617  2.054573       4.118506 
1 1 1 16  -13 30 o 40.958  2.1036  230.549   22.616    241.928   35.277    222.609   29.469    41.721  3.1808  40.196  2.7537  1.524395       4.207144 
1 1 1 16  -13 31 o 32.047  2.3350  147.180   18.902    132.928   30.431    156.133   24.120    30.500  3.8080  33.593  2.7035  -3.092928      4.670064 
1 1 1 16  -13 32 o 25.164  4.0476  92.571    26.356    92.571    26.356    0.0000    0.0000    25.164  4.0476  ?       ?       ?              ?        
1 1 1 16  -13 33 o 47.069  2.2340  318.607   27.166    284.540   42.312    342.500   35.434    44.536  3.5771  49.601  2.6771  -5.064396      4.467947 
1 1 1 16  -13 34 o 11.306  3.0325  14.960    11.947    18.633    21.283    13.270    14.437    12.215  4.6678  10.397  3.8725  1.817952       6.065043 
1 1 1 16  -13 35 o 14.782  3.0204  36.278    13.413    18.517    22.873    45.585    16.558    12.215  4.7925  17.349  3.6776  -5.133435      6.040896 
1 1 1 16  -13 36 o 10.734  2.6156  13.757    11.936    -27.7898  22.668    29.695    14.040    7.6377  3.6857  13.830  3.7122  -6.192726      5.231152 
1 1 1 16  -13 37 o 12.895  3.1100  27.519    13.557    13.132    23.785    34.442    16.499    11.222  4.7029  14.568  4.0709  -3.346357      6.220044 
1 1 1 16  -13 38 o 11.787  3.1702  20.588    13.060    22.748    23.981    19.678    15.572    12.269  4.8773  11.306  4.0512  0.9633503      6.340339 
1 1 1 16  -13 39 o 17.559  3.4996  51.020    16.266    76.868    29.397    39.614    19.528    20.108  5.3604  15.010  4.5006  5.098231       6.999236 
1 1 1 16  -13 40 f 27.825  5.2684  144.618   37.827    144.618   37.827    0.0000    0.0000    27.825  5.2684  ?       ?       ?              ?        
1 1 1 16  -13 41 o 8.6226  2.7955  -0.8859   13.877    -18.5881  28.346    4.6941    15.915    8.6739  4.1700  8.5714  3.7244  0.1025076      5.591020 
1 1 1 16  -13 42 o 13.426  3.2813  39.665    16.355    13.709    32.352    48.575    18.955    10.787  4.9452  16.064  4.3142  -5.276652      6.562545 
1 1 1 16  -12 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -12 1  o 110.929 2.4429  1652.62   72.585    1651.55   102.840   1653.68   102.462   110.893 3.4623  110.965 3.4473  -0.7263184E-01 4.885889 
1 1 1 16  -12 2  o 10.631  2.1323  15.262    6.5339    20.602    9.3708    10.211    9.1151    12.148  2.9167  9.1145  3.1112  3.033743       4.264605 
1 1 1 16  -12 3  o 48.358  1.6928  313.601   21.925    312.613   30.829    314.612   31.187    48.281  2.3839  48.435  2.4040  -0.1535492     3.385571 
1 1 1 16  -12 4  o 104.949 2.3625  1479.11   66.410    1472.57   94.034    1485.61   93.803    104.717 3.3526  105.182 3.3296  -0.4646759     4.725025 
1 1 1 16  -12 5  o 80.745  2.0609  875.026   44.568    866.735   63.151    883.252   62.908    80.362  2.9339  81.127  2.8950  -0.7643509     4.121734 
1 1 1 16  -12 6  o 76.701  2.0497  790.324   42.066    756.765   59.877    823.030   59.112    75.088  2.9772  78.315  2.8180  -3.227554      4.099348 
1 1 1 16  -12 7  f 20.424  1.8191  57.049    9.6869    52.633    13.896    61.223    13.510    19.620  2.7172  21.228  2.4194  -1.607790      3.638190 
1 1 1 16  -12 8  f 25.032  1.7783  85.133    11.722    80.741    16.939    89.169    16.239    24.390  2.6348  25.674  2.3889  -1.283487      3.556515 
1 1 1 16  -12 9  o 152.647 3.1620  3137.23   129.282   3153.62   183.383   3121.04   182.287   153.043 4.4736  152.251 4.4700  0.7917633      6.324078 
1 1 1 16  -12 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -12 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -12 12 o 122.850 2.6360  2029.19   86.713    2095.60   123.245   1964.09   122.026   124.846 3.6856  120.854 3.7697  3.991867       5.272001 
1 1 1 16  -12 13 o 97.727  2.3471  1283.51   61.424    1268.38   87.460    1298.23   86.285    97.154  3.3609  98.299  3.2772  -1.144524      4.694187 
1 1 1 16  -12 14 o 183.796 3.6771  4563.64   180.961   4436.92   256.212   4689.78   255.623   181.226 5.2782  186.366 5.1209  -5.140030      7.354132 
1 1 1 16  -12 15 o 150.391 3.1476  3049.77   126.757   2976.42   179.596   3122.57   178.930   148.575 4.5130  152.207 4.3889  -3.631973      6.295191 
1 1 1 16  -12 16 o 80.868  2.1758  878.589   47.086    931.023   67.222    828.081   65.975    83.242  3.0150  78.494  3.1380  4.747406       4.351677 
1 1 1 16  -12 17 o 166.902 3.4665  3766.51   154.943   3844.25   219.296   3689.03   218.951   168.637 4.8550  165.167 4.9492  3.469650       6.932919 
1 1 1 16  -12 18 f 41.697  1.8439  236.794   20.129    220.530   30.873    248.820   26.547    40.404  2.8715  42.990  2.3140  -2.586090      3.687787 
1 1 1 16  -12 19 o 56.706  1.9607  441.078   29.117    377.380   43.576    492.459   39.137    52.864  3.0910  60.548  2.4132  -7.684418      3.921435 
1 1 1 16  -12 20 o 75.016  2.0560  753.304   41.196    822.820   60.968    694.896   55.884    78.183  2.9114  71.849  2.9039  6.333168       4.112033 
1 1 1 16  -12 21 o 112.322 2.5832  1709.06   77.524    1644.10   112.279   1768.25   107.169   110.234 3.8027  114.410 3.4972  -4.175873      5.166310 
1 1 1 16  -12 22 o 84.807  2.1925  967.284   49.706    1037.18   73.057    907.041   67.826    87.646  3.1120  81.968  3.0893  5.678055       4.384993 
1 1 1 16  -12 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -12 24 o 88.660  2.3002  1069.74   54.393    1020.61   79.513    1112.96   74.572    86.679  3.4248  90.641  3.0716  -3.961884      4.600415 
1 1 1 16  -12 25 o 10.922  2.6355  15.267    9.2352    10.503    15.362    17.963    11.557    10.403  3.9680  11.440  3.4695  -1.037253      5.270944 
1 1 1 16  -12 26 o 56.221  2.0173  431.776   30.053    415.057   44.997    445.239   40.379    55.133  3.0590  57.308  2.6306  -2.174576      4.034559 
1 1 1 16  -12 27 o 47.507  1.9898  307.882   24.959    311.251   38.112    305.352   33.027    47.672  3.0000  47.342  2.6147  0.3295250      3.979528 
1 1 1 16  -12 28 o 51.351  2.0055  357.918   27.280    386.571   41.673    336.433   36.086    53.096  2.9418  49.605  2.7265  3.490578       4.010926 
1 1 1 16  -12 29 o 18.822  2.6700  56.235    12.567    31.974    20.364    71.159    15.971    14.963  4.6184  22.680  2.6808  -7.717164      5.340072 
1 1 1 16  -12 30 o 53.414  2.0848  394.389   29.370    384.050   44.855    402.149   38.857    52.632  3.1969  54.197  2.6768  -1.564735      4.169610 
1 1 1 16  -12 31 o 11.398  2.7948  11.609    10.365    30.668    18.687    3.1416    12.456    14.522  4.4136  8.2737  3.4299  6.248421       5.589653 
1 1 1 16  -12 32 o 44.887  3.3495  283.926   39.981    283.926   39.981    0.0000    0.0000    44.887  3.3495  ?       ?       ?              ?        
1 1 1 16  -12 33 o 16.633  3.0820  40.430    13.344    47.805    22.977    36.676    16.392    17.601  4.7594  15.665  3.9170  1.936027       6.164003 
1 1 1 16  -12 34 f 9.8440  2.8754  4.1370    11.407    16.014    21.176    -0.7178   13.539    11.823  4.6188  7.8653  3.4263  3.957275       5.750896 
1 1 1 16  -12 35 o 29.021  2.5700  122.169   18.906    135.238   31.425    114.756   23.668    29.921  4.0231  28.121  3.1992  1.799793       5.139998 
1 1 1 16  -12 36 o 10.340  2.8059  12.426    11.808    -6.9590   21.419    20.888    14.152    8.9030  4.0595  11.777  3.8746  -2.873630      5.611763 
1 1 1 16  -12 37 o 18.307  3.0797  62.266    15.801    29.491    26.800    79.730    19.563    13.571  5.2254  23.042  3.2608  -9.470242      6.159343 
1 1 1 16  -12 38 o 10.338  3.0443  11.059    13.099    11.913    24.021    10.698    15.627    10.963  4.6663  9.7124  3.9110  1.250638       6.088532 
1 1 1 16  -12 39 o 15.054  3.5094  39.843    15.520    46.880    28.388    36.843    18.535    15.511  5.4792  14.597  4.3864  0.9139528      7.018712 
1 1 1 16  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -12 41 o 14.849  3.3470  46.822    17.168    17.413    33.346    57.429    20.026    11.617  5.2018  18.081  4.2132  -6.464441      6.694015 
1 1 1 16  -12 42 o 8.1319  2.7244  -5.6831   12.885    -1.3816   27.953    -6.8436   14.519    9.4088  4.4093  6.8550  3.2013  2.553858       5.448872 
1 1 1 16  -11 0  o 143.569 2.9913  2771.36   115.021   2814.25   163.150   2728.99   162.184   144.676 4.2102  142.462 4.2503  2.213730       5.982541 
1 1 1 16  -11 1  o 140.988 2.9194  2672.28   110.245   2660.49   156.214   2683.98   155.609   140.676 4.1458  141.300 4.1115  -0.6241302     5.838890 
1 1 1 16  -11 2  o 84.154  2.0959  950.890   47.192    899.381   66.669    1002.62   66.811    81.864  3.0405  86.443  2.8856  -4.579803      4.191779 
1 1 1 16  -11 3  o 200.121 3.9415  5402.92   211.182   5225.93   298.780   5579.62   298.531   196.822 5.6675  203.421 5.4790  -6.599640      7.882912 
1 1 1 16  -11 4  o 122.639 2.6251  2021.14   86.206    1969.75   122.100   2072.22   121.728   121.079 3.7650  124.199 3.6592  -3.120689      5.250184 
1 1 1 16  -11 5  o 114.042 2.5316  1747.43   77.308    1721.21   110.059   1772.96   108.616   113.193 3.6301  114.891 3.5295  -1.698494      5.063132 
1 1 1 16  -11 6  o 49.824  1.8057  335.120   23.918    303.495   34.344    364.900   33.328    47.485  2.7115  52.163  2.3854  -4.677486      3.611398 
1 1 1 16  -11 7  o 46.336  1.7581  289.616   21.676    266.344   31.153    311.454   30.178    44.481  2.6265  48.192  2.3379  -3.711575      3.516252 
1 1 1 16  -11 8  o 74.985  2.0031  754.402   40.228    765.455   57.375    743.713   56.419    75.525  2.8362  74.445  2.8294  1.079956       4.006251 
1 1 1 16  -11 9  o 215.629 4.2234  6284.62   243.914   6218.94   345.318   6350.00   344.576   214.492 6.0106  216.766 5.9348  -2.273499      8.446829 
1 1 1 16  -11 10 o 102.544 2.3789  1412.38   65.338    1425.52   92.911    1399.51   91.901    103.016 3.3672  102.072 3.3614  0.9435425      4.757862 
1 1 1 16  -11 11 o 79.135  2.9289  840.636   62.081    840.636   62.081    0.0000    0.0000    79.135  2.9289  ?       ?       ?              ?        
1 1 1 16  -11 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -11 13 o 141.452 2.9437  2693.14   111.526   2679.38   158.133   2706.75   157.312   141.089 4.1845  141.815 4.1415  -0.7262421     5.887410 
1 1 1 16  -11 14 o 148.008 3.0477  2950.23   120.819   2938.48   171.197   2961.90   170.534   147.711 4.3271  148.305 4.2930  -0.5941467     6.095391 
1 1 1 16  -11 15 o 76.931  2.1183  794.699   43.645    807.263   62.284    782.576   61.178    77.528  2.9994  76.334  2.9922  1.194130       4.236662 
1 1 1 16  -11 16 o 232.811 4.5204  7360.47   281.844   7334.72   401.416   7385.51   395.819   232.381 6.4492  233.241 6.3358  -0.8600159     9.040738 
1 1 1 16  -11 17 o 53.793  1.8624  389.813   26.572    382.893   39.954    395.302   35.583    53.318  2.8076  54.269  2.4479  -0.9507446     3.724885 
1 1 1 16  -11 18 o 110.246 2.5052  1635.87   73.908    1646.34   107.012   1626.32   102.198   110.572 3.6133  109.920 3.4711  0.6511383      5.010444 
1 1 1 16  -11 19 o 111.156 2.5293  1664.38   75.240    1678.75   108.876   1651.23   104.096   111.603 3.6422  110.709 3.5104  0.8936005      5.058553 
1 1 1 16  -11 20 o 31.553  1.9464  134.374   16.124    138.689   24.751    131.193   21.252    31.971  2.9226  31.135  2.5714  0.8360920      3.892766 
1 1 1 16  -11 21 o 7.9773  3.2819  -29.0870  6.3683    2.6304    11.286    -43.9027  7.7136    7.9773  3.2819  ?       ?       ?              ?        
1 1 1 16  -11 22 o 83.264  2.2260  939.873   49.401    883.033   72.112    990.140   67.814    80.843  3.3302  85.686  2.9547  -4.842773      4.452076 
1 1 1 16  -11 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -11 24 o 45.587  1.9763  285.459   23.624    257.242   35.618    307.619   31.566    43.482  3.0782  47.693  2.4796  -4.210869      3.952646 
1 1 1 16  -11 25 o 42.971  2.0355  259.367   22.470    203.663   33.892    303.055   30.015    38.561  3.3136  47.382  2.3650  -8.820625      4.071047 
1 1 1 16  -11 26 o 24.661  2.1618  82.739    13.774    90.948    21.747    77.240    17.799    25.638  3.2392  23.685  2.8638  1.953400       4.323623 
1 1 1 16  -11 27 o 36.358  1.9913  179.495   19.001    189.671   29.598    172.362   24.781    37.181  2.9975  35.534  2.6222  1.646427       3.982574 
1 1 1 16  -11 28 o 12.499  2.6007  16.366    10.169    39.597    16.874    3.1160    12.744    16.588  3.8688  8.4106  3.4766  8.177692       5.201325 
1 1 1 16  -11 29 o 12.247  2.8466  20.039    10.562    21.424    17.246    19.208    13.360    12.674  4.2797  11.819  3.7546  0.8558578      5.693236 
1 1 1 16  -11 30 o 23.262  2.4154  73.743    14.304    90.601    23.278    63.514    18.132    25.320  3.5282  21.203  3.2999  4.116617       4.830879 
1 1 1 16  -11 31 f 27.837  2.3058  105.441   16.535    127.392   26.821    91.983    21.002    30.073  3.3887  25.600  3.1278  4.473063       4.611595 
1 1 1 16  -11 32 o 17.564  6.3752  45.227    38.714    45.227    38.714    0.0000    0.0000    17.564  6.3752  ?       ?       ?              ?        
1 1 1 16  -11 33 o 21.070  2.8144  63.969    14.690    71.971    25.104    59.801    18.116    21.831  4.4441  20.308  3.4543  1.523716       5.628717 
1 1 1 16  -11 34 o 33.222  2.3676  152.835   20.132    183.482   33.890    136.123   25.026    35.532  3.6112  30.911  3.0629  4.620546       4.735198 
1 1 1 16  -11 35 o 19.797  3.1002  71.622    16.382    30.006    28.510    92.136    20.017    14.308  5.4181  25.287  3.0148  -10.97932      6.200359 
1 1 1 16  -11 36 o 18.895  3.2203  53.662    15.099    71.356    27.701    46.183    18.010    20.623  5.0541  17.167  3.9923  3.456652       6.440665 
1 1 1 16  -11 37 o 30.894  3.2079  171.453   22.025    100.288   36.223    213.200   27.743    23.347  5.8145  38.441  2.7119  -15.09411      6.415812 
1 1 1 16  -11 38 o 13.265  3.3207  29.752    14.636    23.696    26.126    32.522    17.668    12.581  5.0603  13.949  4.3014  -1.367207      6.641399 
1 1 1 16  -11 39 o 13.639  3.4342  31.031    14.554    36.870    28.641    28.999    16.898    14.146  5.4128  13.133  4.2280  1.013747       6.868380 
1 1 1 16  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -11 41 o 11.619  3.2594  22.977    15.119    12.179    29.015    27.002    17.714    10.915  4.8724  12.323  4.3306  -1.407964      6.518807 
1 1 1 16  -11 42 o 8.0497  2.7014  -6.4668   12.674    -0.3484   27.394    -8.1329   14.295    9.4187  4.3981  6.6808  3.1380  2.737960       5.402795 
1 1 1 16  -10 0  o 131.210 2.7525  2313.16   96.728    2291.04   137.120   2335.06   136.471   130.583 3.9204  131.837 3.8647  -1.254333      5.504990 
1 1 1 16  -10 1  o 14.609  3.1669  29.027    13.308    31.555    16.416    24.180    22.732    15.061  4.0013  14.156  4.9097  0.9047251      6.333725 
1 1 1 16  -10 2  f 300.409 5.6528  12251.02  454.797   12039.57  643.169   12462.49  643.192   297.781 8.0638  303.037 7.9242  -5.255890      11.30565 
1 1 1 16  -10 3  o 170.541 3.3967  3915.16   155.115   3811.22   219.456   4018.92   219.277   168.267 4.8692  172.815 4.7372  -4.547714      6.793412 
1 1 1 16  -10 4  o 51.780  1.7430  359.298   24.162    375.798   34.640    343.663   33.720    52.938  2.4430  50.622  2.4869  2.315166       3.486056 
1 1 1 16  -10 5  o 176.900 3.5588  4215.99   168.568   4131.35   239.770   4298.72   237.037   175.128 5.1115  178.672 4.9530  -3.543793      7.117589 
1 1 1 16  -10 6  o 85.366  2.1854  980.477   49.844    914.313   71.219    1044.00   69.782    82.529  3.2218  88.204  2.9537  -5.675476      4.370887 
1 1 1 16  -10 7  o 136.911 2.8974  2520.14   106.249   2538.82   150.715   2501.68   149.807   137.415 4.0948  136.406 4.1003  1.009384       5.794779 
1 1 1 16  -10 8  o 120.547 2.6600  1952.85   85.884    1942.29   121.807   1963.29   121.113   120.221 3.7827  120.873 3.7409  -0.6528397     5.320046 
1 1 1 16  -10 9  o 198.623 3.9193  5323.90   208.511   5309.63   295.195   5338.10   294.564   198.354 5.5562  198.892 5.5293  -0.5382996     7.838692 
1 1 1 16  -10 10 o 122.463 2.6510  2015.60   86.953    2045.23   123.457   1986.43   122.488   123.357 3.7365  121.568 3.7617  1.789162       5.302037 
1 1 1 16  -10 11 o 56.145  1.8316  422.963   27.528    421.524   39.590    424.310   38.303    56.051  2.6370  56.239  2.5427  -0.1885071     3.663258 
1 1 1 16  -10 12 o 31.234  3.9322  133.252   32.168    133.252   32.168    0.0000    0.0000    31.234  3.9322  ?       ?       ?              ?        
1 1 1 16  -10 13 f 130.984 3.9001  2311.40   136.324   2604.66   197.914   2046.65   188.047   138.908 5.3194  123.060 5.7051  15.84803       7.800222 
1 1 1 16  -10 14 o 78.249  2.0657  824.601   43.088    792.166   63.378    852.478   58.756    76.803  3.0808  79.696  2.7525  -2.892235      4.131319 
1 1 1 16  -10 15 o 44.976  1.7922  272.254   21.337    272.694   32.240    271.912   28.461    44.995  2.6874  44.958  2.3719  0.3626633E-01  3.584449 
1 1 1 16  -10 16 o 23.415  2.0746  72.281    12.174    106.313   19.070    48.870    15.816    28.028  2.5688  18.803  3.2585  9.224884       4.149257 
1 1 1 16  -10 17 o 117.249 2.6056  1849.51   81.786    1866.50   117.786   1833.68   113.650   117.762 3.7342  116.737 3.6347  1.024666       5.211120 
1 1 1 16  -10 18 f 40.422  1.9562  228.678   20.218    171.832   30.236    274.651   27.191    35.604  3.2049  45.240  2.2440  -9.635895      3.912393 
1 1 1 16  -10 19 o 62.457  1.9578  524.711   32.648    518.289   47.956    530.259   44.574    62.091  2.8835  62.822  2.6490  -0.7316132     3.915561 
1 1 1 16  -10 20 o 81.350  2.1500  888.800   46.792    932.718   68.211    849.763   64.309    83.242  3.0593  79.459  3.0216  3.782997       4.299972 
1 1 1 16  -10 21 o 34.381  1.9781  159.303   17.950    167.491   27.168    152.960   23.913    35.150  2.9118  33.613  2.6783  1.537109       3.956295 
1 1 1 16  -10 22 o 57.577  1.9614  445.812   30.157    456.463   44.629    436.862   40.911    58.198  2.8630  56.957  2.6817  1.241287       3.922751 
1 1 1 16  -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -10 24 f 51.358  1.9726  357.883   26.858    348.835   40.263    365.137   36.051    50.697  2.9781  52.018  2.5875  -1.321018      3.945147 
1 1 1 16  -10 25 o 48.182  2.0017  318.603   25.356    292.313   38.185    339.338   33.912    46.313  3.0961  50.051  2.5379  -3.738308      4.003330 
1 1 1 16  -10 26 o 46.984  2.0547  306.612   25.155    265.149   38.041    338.831   33.534    43.993  3.2514  49.974  2.5133  -5.980968      4.109483 
1 1 1 16  -10 27 o 17.740  2.6346  49.921    11.904    26.490    19.503    63.833    15.028    13.957  4.5463  21.524  2.6636  -7.566890      5.269156 
1 1 1 16  -10 28 o 37.667  2.0822  195.964   20.449    189.119   31.774    200.804   26.718    37.001  3.2387  38.334  2.6178  -1.333324      4.164385 
1 1 1 16  -10 29 o 64.189  2.1758  570.952   36.837    531.360   55.554    602.018   49.210    61.995  3.3581  66.382  2.7677  -4.387089      4.351635 
1 1 1 16  -10 30 o 50.992  2.0960  356.003   28.189    375.051   43.640    342.366   36.925    52.067  3.1440  49.917  2.7727  2.149807       4.191922 
1 1 1 16  -10 31 o 11.208  2.7372  9.3550    10.327    31.864    18.457    -0.9019   12.459    14.777  4.3626  7.6391  3.3073  7.138166       5.474495 
1 1 1 16  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -10 33 o 42.500  2.2601  256.795   24.798    247.602   39.555    262.748   31.830    41.582  3.5866  43.418  2.7513  -1.835968      4.520282 
1 1 1 16  -10 34 o 12.673  3.2672  20.045    13.423    28.756    24.637    16.369    16.007    14.118  5.0916  11.227  4.0956  2.891004       6.534389 
1 1 1 16  -10 35 o 24.342  2.9621  91.846    17.586    86.318    29.744    94.818    21.806    23.176  4.9423  25.509  3.2665  -2.332369      5.924229 
1 1 1 16  -10 36 o 39.398  2.4512  229.999   24.740    229.994   40.162    230.003   31.407    38.889  3.9086  39.907  2.9593  -1.018684      4.902493 
1 1 1 16  -10 37 o 8.3040  2.4969  2.2572    10.237    -21.3414  20.410    10.190    11.834    7.4740  3.5786  9.1340  3.4830  -1.660003      4.993791 
1 1 1 16  -10 38 o 10.709  2.9187  13.915    13.524    -14.2147  24.663    26.010    16.172    8.7530  4.1147  12.664  4.1407  -3.911178      5.837464 
1 1 1 16  -10 39 o 12.544  3.3337  25.157    14.363    26.435    26.899    24.648    16.988    12.815  5.1415  12.272  4.2449  0.5427122      6.667445 
1 1 1 16  -10 40 o 12.793  4.4657  28.311    18.821    0.0000    0.0000    28.311    18.821    ?       ?       12.793  4.4657  ?              ?        
1 1 1 16  -10 41 o 8.5879  2.8116  -16.1256  12.593    22.752    26.450    -27.5205  14.320    11.794  4.9519  5.3818  2.6644  6.412227       5.623174 
1 1 1 16  -10 42 o 9.2732  2.7189  7.3477    13.659    -52.4490  30.301    22.598    15.302    7.3250  3.6658  11.221  4.0165  -3.896388      5.437855 
1 1 1 16  -9  0  o 77.360  1.9586  802.896   40.572    782.932   57.483    822.714   57.273    76.400  2.8090  78.320  2.7301  -1.920334      3.917175 
1 1 1 16  -9  1  o 142.781 2.9033  2739.75   111.009   2676.00   156.992   2803.51   156.990   141.114 4.1535  144.448 4.0576  -3.334045      5.806561 
1 1 1 16  -9  2  o 100.752 2.2837  1362.83   61.590    1306.16   87.047    1419.64   87.155    98.650  3.2943  102.855 3.1636  -4.204750      4.567364 
1 1 1 16  -9  3  o 24.119  1.6113  78.853    10.261    74.322    14.682    83.179    14.345    23.424  2.3729  24.814  2.1804  -1.389875      3.222508 
1 1 1 16  -9  4  o 149.634 3.0890  3011.11   123.771   2974.30   176.361   3046.84   173.746   148.725 4.4272  150.544 4.3089  -1.818558      6.177910 
1 1 1 16  -9  5  o 92.209  2.2426  1140.40   55.363    1187.24   79.313    1095.88   77.317    94.056  3.1483  90.362  3.1945  3.694153       4.485112 
1 1 1 16  -9  6  f 38.122  1.7055  195.623   17.319    196.949   24.858    194.373   24.145    38.246  2.4392  37.999  2.3843  0.2475014      3.411011 
1 1 1 16  -9  7  o 141.811 2.9830  2704.00   113.304   2710.46   160.453   2697.59   160.021   141.980 4.2192  141.642 4.2179  0.3373108      5.965949 
1 1 1 16  -9  8  o 84.014  2.1098  947.224   47.476    949.611   67.441    944.879   66.847    84.119  2.9932  83.910  2.9743  0.2087708      4.219676 
1 1 1 16  -9  9  o 45.765  1.9211  279.991   23.008    272.018   29.627    292.108   36.522    44.968  2.4692  46.562  2.9436  -1.594246      3.842113 
1 1 1 16  -9  10 o 158.356 3.1654  3372.98   134.215   3490.61   192.432   3261.55   187.289   161.046 4.4611  155.667 4.4919  5.378876       6.330721 
1 1 1 16  -9  11 o 55.718  1.7558  416.343   26.064    417.222   38.934    415.629   35.087    55.767  2.6065  55.669  2.3531  0.9755707E-01  3.511542 
1 1 1 16  -9  12 f 132.852 2.8163  2377.51   100.038   2287.04   143.995   2461.91   139.085   130.385 4.1232  135.319 3.8374  -4.933762      5.632560 
1 1 1 16  -9  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -9  14 o 37.641  1.8148  192.176   17.992    181.768   27.053    200.432   24.093    36.697  2.7728  38.585  2.3423  -1.888363      3.629687 
1 1 1 16  -9  15 o 148.896 3.1197  2990.36   124.243   2856.71   177.563   3118.57   173.907   145.604 4.5529  152.188 4.2663  -6.583710      6.239389 
1 1 1 16  -9  16 o 26.287  2.0284  92.621    13.499    129.751   20.442    63.906    17.977    30.997  2.4830  21.576  3.2082  9.420645       4.056821 
1 1 1 16  -9  17 o 205.055 4.0352  5694.02   221.616   5746.71   315.401   5642.63   311.461   205.988 5.7165  204.122 5.6967  1.865997       8.070392 
1 1 1 16  -9  18 o 90.718  2.2497  1104.97   54.622    1145.53   79.168    1068.12   75.460    92.303  3.2022  89.134  3.1607  3.168564       4.499342 
1 1 1 16  -9  19 o 142.011 3.0145  2722.34   114.633   2737.62   164.225   2707.82   160.087   142.388 4.3060  141.633 4.2199  0.7541962      6.029042 
1 1 1 16  -9  20 o 74.115  2.0737  736.386   41.094    789.523   60.236    690.126   56.203    76.607  2.9356  71.623  2.9297  4.983711       4.147417 
1 1 1 16  -9  21 o 89.790  2.3177  1090.99   55.518    1027.94   80.671    1147.71   76.521    87.284  3.4506  92.296  3.0953  -5.011871      4.635468 
1 1 1 16  -9  22 o 6.3048  2.0684  -9.6343   7.8290    -7.6814   13.442    -10.6370  9.6314    7.1710  3.2487  5.4386  2.5611  1.732455       4.136847 
1 1 1 16  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -9  24 o 74.657  2.1451  753.779   42.744    758.218   63.240    750.046   57.996    74.828  3.1553  74.486  2.9069  0.3423538      4.290251 
1 1 1 16  -9  25 o 71.437  2.1478  693.459   40.867    678.218   60.710    706.088   55.263    70.667  3.2074  72.208  2.8573  -1.540962      4.295566 
1 1 1 16  -9  26 f 35.802  2.0271  175.067   18.991    175.052   29.443    175.078   24.851    35.740  3.1066  35.863  2.6048  -0.1235924     4.054101 
1 1 1 16  -9  27 o 50.365  2.0468  347.834   27.124    337.168   41.519    355.777   35.827    49.601  3.1413  51.130  2.6249  -1.529564      4.093654 
1 1 1 16  -9  28 o 107.733 2.6183  1599.46   75.415    1663.44   110.784   1544.21   102.952   109.675 3.7712  105.791 3.6333  3.883667       5.236671 
1 1 1 16  -9  29 o 34.781  2.1331  165.356   19.334    175.684   30.656    158.535   24.914    35.598  3.2511  33.965  2.7624  1.632389       4.266210 
1 1 1 16  -9  30 o 11.489  2.8444  13.301    10.508    27.541    18.655    6.6824    12.718    13.971  4.4365  9.0061  3.5608  4.965372       5.688721 
1 1 1 16  -9  31 o 26.042  2.3925  90.016    15.712    130.149   25.913    66.683    19.758    30.479  3.2230  21.606  3.5366  8.872696       4.784901 
1 1 1 16  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -9  33 o 50.171  2.2507  356.906   29.476    344.731   45.971    365.406   38.411    49.162  3.5143  51.181  2.8127  -2.018150      4.501306 
1 1 1 16  -9  34 o 65.569  2.3797  618.528   40.865    593.631   63.439    636.186   53.427    63.938  3.7204  67.200  2.9683  -3.261883      4.759399 
1 1 1 16  -9  35 o 10.649  3.0213  9.3945    12.279    19.906    22.293    4.8165    14.712    12.388  4.7669  8.9110  3.7136  3.476876       6.042683 
1 1 1 16  -9  36 o 24.145  2.9275  90.448    17.308    91.657    29.522    89.814    21.365    23.682  4.8183  24.609  3.3266  -0.9275169     5.855086 
1 1 1 16  -9  37 o 11.047  3.0768  9.7864    12.478    31.465    23.818    1.5861    14.649    13.827  5.0032  8.2666  3.5825  5.559986       6.153556 
1 1 1 16  -9  38 o 15.303  3.3828  32.255    14.598    67.225    28.088    19.313    17.087    19.221  5.2894  11.386  4.2184  7.834851       6.765584 
1 1 1 16  -9  39 o 12.257  3.6037  20.569    20.123    29.746    25.999    6.8577    31.781    13.251  5.1341  11.263  5.0584  1.987865       7.207395 
1 1 1 16  -9  40 o 13.217  3.5132  28.232    15.546    42.781    29.247    22.503    18.354    14.682  5.5033  11.751  4.3684  2.930628       7.026312 
1 1 1 16  -9  41 o 13.787  3.5956  33.341    15.635    52.626    31.556    27.066    18.000    15.269  5.7177  12.305  4.3613  2.963719       7.191157 
1 1 1 16  -9  42 o 9.6614  3.0107  10.589    14.793    -10.8765  32.861    16.044    16.566    9.2934  4.4731  10.029  4.0310  -0.7359762     6.021472 
1 1 1 16  -8  0  o 156.480 3.1331  3291.66   131.298   3231.65   185.879   3351.43   185.487   155.050 4.4758  157.909 4.3855  -2.859055      6.266191 
1 1 1 16  -8  1  o 24.854  1.5724  83.846    10.201    67.416    14.220    101.265   14.642    22.293  2.4203  27.414  2.0080  -5.120928      3.144807 
1 1 1 16  -8  2  o 147.815 3.0484  2937.86   120.637   2861.77   171.635   3012.15   169.597   145.913 4.3916  149.718 4.2292  -3.804474      6.096889 
1 1 1 16  -8  3  o 175.676 3.5435  4154.26   166.694   4068.40   236.626   4238.85   234.865   173.861 5.0812  177.490 4.9403  -3.628677      7.087006 
1 1 1 16  -8  4  o 96.421  2.3204  1248.39   59.894    1218.70   85.408    1277.12   84.017    95.288  3.3463  97.554  3.2154  -2.265511      4.640749 
1 1 1 16  -8  5  o 113.036 2.5677  1715.48   77.734    1740.80   110.670   1690.83   109.209   113.859 3.6289  112.213 3.6335  1.646561       5.135309 
1 1 1 16  -8  6  o 217.966 4.1801  6410.42   243.650   6888.35   347.220   5946.81   341.984   226.018 5.7355  209.915 6.0824  16.10324       8.360125 
1 1 1 16  -8  7  f 140.002 2.9012  2635.08   108.743   2614.76   155.801   2654.38   151.846   139.467 4.1707  140.537 4.0339  -1.069427      5.802344 
1 1 1 16  -8  8  o 94.380  2.1756  1194.99   54.941    1205.42   79.686    1185.54   75.851    94.768  3.1393  93.991  3.0129  0.7765579      4.351173 
1 1 1 16  -8  9  o 36.181  1.5736  175.104   15.091    185.901   22.818    166.710   20.119    37.163  2.3036  35.198  2.1442  1.965271       3.147131 
1 1 1 16  -8  10 o 132.191 2.7591  2347.05   97.651    2415.96   140.544   2282.73   135.778   134.064 3.9139  130.318 3.8899  3.746017       5.518127 
1 1 1 16  -8  11 o 136.038 2.8550  2488.33   103.986   2496.74   149.324   2480.41   144.893   136.254 4.0916  135.822 3.9828  0.4313812      5.709963 
1 1 1 16  -8  12 o 126.240 2.6966  2140.16   91.068    2295.62   130.906   1994.37   126.773   130.687 3.7397  121.793 3.8861  8.894081       5.393268 
1 1 1 16  -8  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -8  14 o 69.333  2.0018  648.029   37.007    603.079   53.675    688.758   51.093    67.023  2.9899  71.644  2.6625  -4.621140      4.003580 
1 1 1 16  -8  15 o 112.236 2.5402  1693.14   76.337    1699.97   109.535   1686.69   106.445   112.451 3.6367  112.021 3.5476  0.4295578      5.080440 
1 1 1 16  -8  16 o 66.495  1.9614  591.993   34.886    631.951   50.820    556.383   47.976    68.612  2.7653  64.378  2.7822  4.233795       3.922751 
1 1 1 16  -8  17 o 96.875  2.3332  1259.61   60.493    1326.38   87.390    1198.17   83.822    99.338  3.2844  94.412  3.3147  4.926201       4.666313 
1 1 1 16  -8  18 o 93.983  2.3029  1186.38   57.928    1219.57   83.961    1156.22   80.025    95.233  3.2915  92.734  3.2218  2.498741       4.605887 
1 1 1 16  -8  19 o 42.828  2.0008  254.464   22.156    201.423   32.895    298.505   29.974    38.563  3.2140  47.093  2.3841  -8.530201      4.001692 
1 1 1 16  -8  20 o 98.891  2.4491  1325.18   64.506    1209.71   93.374    1430.60   89.219    94.707  3.6809  103.075 3.2316  -8.367119      4.898186 
1 1 1 16  -8  21 o 17.553  2.5854  40.132    11.739    64.883    18.990    24.826    14.933    21.682  3.3801  13.425  3.9130  8.256737       5.170743 
1 1 1 16  -8  22 o 92.762  2.3441  1160.15   58.156    1191.74   85.005    1132.36   79.737    93.932  3.3786  91.591  3.2502  2.341263       4.688204 
1 1 1 16  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -8  24 f 64.111  2.0965  560.490   35.597    521.226   52.896    592.989   48.124    61.953  3.1986  66.270  2.7111  -4.317596      4.193014 
1 1 1 16  -8  25 o 17.013  2.5440  37.875    11.118    58.994    18.291    25.499    14.002    20.556  3.4438  13.469  3.7453  7.087142       5.087959 
1 1 1 16  -8  26 o 57.299  2.0809  449.366   31.520    425.883   47.413    467.964   42.194    55.836  3.1834  58.761  2.6808  -2.925327      4.161861 
1 1 1 16  -8  27 o 91.913  2.3851  1150.62   58.556    1247.33   86.782    1069.79   79.338    95.426  3.3953  88.400  3.3507  7.026184       4.770259 
1 1 1 16  -8  28 o 28.005  2.2610  110.176   16.121    102.335   25.558    115.358   20.776    27.023  3.6222  28.988  2.7072  -1.964708      4.522101 
1 1 1 16  -8  29 o 25.139  2.3936  89.965    15.080    82.707    24.277    94.525    19.242    24.113  3.8913  26.166  2.7885  -2.052553      4.787243 
1 1 1 16  -8  30 o 9.2247  2.4236  -3.1255   9.0576    23.944    15.933    -16.0514  11.010    13.055  4.0943  5.3944  2.5947  7.660617       4.847264 
1 1 1 16  -8  31 o 33.977  2.2454  160.081   19.704    166.721   31.734    155.914   25.137    34.405  3.4920  33.548  2.8236  0.8569336      4.490720 
1 1 1 16  -8  32 o 25.608  3.1247  92.541    20.988    0.0000    0.0000    92.541    20.988    ?       ?       25.608  3.1247  ?              ?        
1 1 1 16  -8  33 o 46.595  2.2500  305.177   27.361    313.778   43.341    299.478   35.279    46.911  3.4740  46.278  2.8601  0.6325378      4.499928 
1 1 1 16  -8  34 o 31.374  2.6444  147.150   20.473    133.242   33.934    155.110   25.671    29.662  4.4050  33.087  2.9268  -3.425570      5.288701 
1 1 1 16  -8  35 o 21.548  3.1263  78.692    16.537    54.500    28.404    91.098    20.340    18.011  5.4342  25.086  3.0926  -7.074860      6.252569 
1 1 1 16  -8  36 o 22.507  3.1249  82.867    17.125    73.702    29.508    87.521    21.028    20.731  5.2951  24.283  3.3200  -3.551966      6.249829 
1 1 1 16  -8  37 o 10.616  3.0960  11.157    13.144    14.919    24.611    9.6558    15.547    11.583  4.8132  9.6482  3.8955  1.935198       6.192037 
1 1 1 16  -8  38 o 23.070  3.3319  92.818    18.591    81.778    32.927    97.985    22.525    20.789  5.7294  25.352  3.4030  -4.562895      6.663838 
1 1 1 16  -8  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -8  40 f 12.862  3.4505  29.119    15.840    21.685    32.224    31.487    18.189    12.306  5.3234  13.418  4.3915  -1.111319      6.900984 
1 1 1 16  -8  41 o 16.403  3.8361  45.818    17.703    92.412    35.831    30.771    20.361    19.984  6.1193  12.822  4.6280  7.161637       7.672294 
1 1 1 16  -7  0  o 115.756 2.9971  1775.99   88.527    1723.10   108.894   1879.07   152.028   113.301 3.5883  118.211 4.8015  -4.910538      5.994154 
1 1 1 16  -7  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -7  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -7  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -7  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -7  5  o 189.849 4.6383  4893.33   222.818   4948.31   274.370   4786.83   381.861   191.689 5.3438  188.010 7.5829  3.679199       9.276687 
1 1 1 16  -7  6  o 160.850 3.2585  3478.91   140.371   3545.75   200.306   3414.41   196.771   162.368 4.6058  159.331 4.6107  3.036438       6.517075 
1 1 1 16  -7  7  o 162.591 3.2725  3561.53   142.298   3381.43   203.047   3735.35   199.480   158.521 4.7821  166.660 4.4687  -8.139694      6.545044 
1 1 1 16  -7  8  o 79.646  2.0042  853.199   42.615    819.160   62.092    883.509   58.593    78.134  2.9669  81.158  2.6954  -3.024429      4.008466 
1 1 1 16  -7  9  o 66.992  1.8389  598.242   32.786    701.709   48.301    509.836   44.648    72.334  2.4930  61.649  2.7039  10.68512       3.677781 
1 1 1 16  -7  10 o 191.142 3.7433  4926.70   191.274   5329.79   272.729   4536.51   268.328   198.879 5.1198  183.405 5.4622  15.47427       7.486517 
1 1 1 16  -7  11 o 141.641 2.9989  2705.85   113.441   2497.99   161.765   2906.99   159.126   136.245 4.4328  147.036 4.0404  -10.79103      5.997872 
1 1 1 16  -7  12 o 46.161  1.7444  285.151   21.462    316.073   31.367    257.932   29.429    48.545  2.4124  43.778  2.5204  4.766808       3.488808 
1 1 1 16  -7  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -7  14 o 45.017  1.8907  275.977   22.420    238.455   32.796    308.894   30.718    42.046  2.9305  47.989  2.3898  -5.942944      3.781396 
1 1 1 16  -7  15 o 122.840 2.6873  2027.39   88.307    2174.76   126.797   1888.58   123.057   127.181 3.7222  118.499 3.8771  8.682655       5.374597 
1 1 1 16  -7  16 o 161.823 3.3294  3530.51   144.282   3537.36   206.060   3523.92   202.089   161.967 4.7498  161.678 4.6666  0.2890625      6.658704 
1 1 1 16  -7  17 o 139.104 2.9535  2604.53   109.994   2712.88   157.807   2502.14   153.397   141.920 4.1514  136.287 4.2022  5.633316       5.906962 
1 1 1 16  -7  18 o 94.082  2.3037  1186.66   57.749    1365.99   84.056    1026.35   79.475    100.811 3.1129  87.354  3.3967  13.45699       4.607402 
1 1 1 16  -7  19 o 58.533  2.1494  477.293   32.359    351.069   47.445    587.074   44.248    50.946  3.4981  66.119  2.4985  -15.17340      4.298752 
1 1 1 16  -7  20 o 63.115  2.0271  535.857   34.146    534.709   50.426    536.830   46.405    63.041  2.9864  63.189  2.7418  -0.1479111     4.054133 
1 1 1 16  -7  21 o 138.412 2.9969  2592.40   111.056   2664.31   159.988   2525.52   154.281   140.255 4.2587  136.568 4.2177  3.687485       5.993798 
1 1 1 16  -7  22 o 121.974 2.7667  2014.46   90.315    2038.87   130.736   1992.18   124.911   122.656 3.9794  121.291 3.8449  1.364960       5.533422 
1 1 1 16  -7  23 o 27.035  3.5736  100.689   25.243    0.0000    0.0000    100.689   25.243    ?       ?       27.035  3.5736  ?              ?        
1 1 1 16  -7  24 o 47.566  1.9716  303.945   24.843    330.073   37.862    284.189   32.922    49.332  2.8779  45.800  2.6956  3.532665       3.943117 
1 1 1 16  -7  25 o 65.508  2.1519  586.403   37.323    553.010   55.803    613.431   50.204    63.701  3.2817  67.315  2.7844  -3.614109      4.303811 
1 1 1 16  -7  26 o 63.423  2.0749  542.473   35.063    585.358   52.988    509.067   46.767    65.610  3.0152  61.235  2.8514  4.375851       4.149891 
1 1 1 16  -7  27 o 37.862  2.2718  209.216   21.265    147.353   32.810    254.023   27.923    32.489  3.8450  43.234  2.4210  -10.74554      4.543679 
1 1 1 16  -7  28 o 62.114  2.1455  529.389   35.241    520.229   53.595    536.367   46.776    61.498  3.2654  62.730  2.7839  -1.232006      4.290987 
1 1 1 16  -7  29 o 10.827  2.7768  13.952    10.172    11.605    17.058    15.247    12.672    10.833  4.1694  10.821  3.6685  0.1133823E-01  5.553568 
1 1 1 16  -7  30 o 14.424  2.9073  30.810    11.773    23.919    19.494    34.766    14.770    13.334  4.5498  15.514  3.6205  -2.180569      5.814530 
1 1 1 16  -7  31 o 27.089  4.0752  105.905   28.653    105.905   28.653    0.0000    0.0000    27.089  4.0752  ?       ?       ?              ?        
1 1 1 16  -7  32 o 8.1170  2.4560  -0.1829   9.8343    -21.3125  19.116    7.4220    11.468    7.4471  3.5369  8.7869  3.4084  -1.339790      4.911947 
1 1 1 16  -7  33 o 13.084  3.1424  22.591    12.588    31.650    21.845    18.088    15.403    14.598  4.8143  11.569  4.0399  3.028892       6.284750 
1 1 1 16  -7  34 o 28.812  2.7949  126.402   19.538    112.015   32.764    134.342   24.339    26.903  4.7190  30.720  2.9961  -3.817764      5.589771 
1 1 1 16  -7  35 o 18.099  3.2508  54.848    15.365    43.308    27.797    59.926    18.439    16.183  5.4335  20.014  3.5705  -3.830927      6.501660 
1 1 1 16  -7  36 o 17.874  3.1182  59.362    15.684    25.699    28.659    73.756    18.740    13.437  5.3348  22.311  3.2298  -8.874632      6.236332 
1 1 1 16  -7  37 o 28.060  2.9050  122.352   19.862    129.312   34.596    118.930   24.258    27.902  4.8024  28.219  3.2700  -0.3164825     5.809982 
1 1 1 16  -7  38 o 14.525  3.4477  36.017    15.107    35.729    28.485    36.130    17.820    14.304  5.4160  14.746  4.2677  -0.4421272     6.895372 
1 1 1 16  -7  39 o 28.796  4.5632  139.585   34.022    0.0000    0.0000    139.585   34.022    ?       ?       28.796  4.5632  ?              ?        
1 1 1 16  -7  40 o 21.247  3.6747  77.691    19.212    107.938   36.176    65.808    22.674    23.079  5.8456  19.415  4.4547  3.663841       7.349488 
1 1 1 16  -7  41 o 9.3860  2.8788  7.1013    14.110    -32.1150  31.909    16.633    15.732    8.4593  4.1468  10.313  3.9943  -1.853393      5.757625 
1 1 1 16  -6  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -6  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -6  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -6  6  o 174.576 3.4303  4099.51   160.384   4178.61   228.581   4022.80   225.093   176.235 4.8424  172.916 4.8600  3.319717       6.860647 
1 1 1 16  -6  7  o 308.515 5.9121  12937.55  488.112   12358.62  691.995   13510.84  688.608   301.533 8.5680  315.498 8.1487  -13.96497      11.82418 
1 1 1 16  -6  8  o 143.897 2.9769  2784.02   114.696   2762.76   164.043   2804.35   160.426   143.351 4.2723  144.443 4.1466  -1.091217      5.953742 
1 1 1 16  -6  9  o 161.365 3.2688  3503.45   141.274   3525.56   201.249   3481.96   198.365   161.864 4.6419  160.866 4.6037  0.9977875      6.537694 
1 1 1 16  -6  10 o 81.818  2.0851  897.526   45.664    945.933   65.573    851.947   63.628    83.960  2.9158  79.677  2.9815  4.283722       4.170267 
1 1 1 16  -6  11 o 104.721 2.4205  1473.35   67.860    1451.84   97.037    1493.94   94.934    103.967 3.4846  105.474 3.3604  -1.507088      4.840907 
1 1 1 16  -6  12 o 78.844  2.0774  833.918   43.847    845.492   63.243    823.204   60.845    79.368  2.9749  78.319  2.9005  1.048820       4.154852 
1 1 1 16  -6  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -6  14 o 226.611 4.4033  6947.80   267.245   7078.44   379.957   6819.89   375.958   228.728 6.2019  224.494 6.2524  4.234848       8.806589 
1 1 1 16  -6  15 f 93.523  2.3034  1173.51   57.665    1215.67   83.332    1134.77   79.878    95.132  3.2704  91.915  3.2445  3.217690       4.606761 
1 1 1 16  -6  16 o 98.604  2.4070  1308.88   63.446    1261.50   91.583    1352.59   87.978    96.873  3.5296  100.336 3.2736  -3.462791      4.814007 
1 1 1 16  -6  17 o 89.529  2.2643  1075.23   54.248    1122.01   78.821    1033.13   74.776    91.374  3.2205  87.684  3.1838  3.690086       4.528648 
1 1 1 16  -6  18 o 22.753  2.1296  70.588    12.550    72.122    19.107    69.425    16.644    22.944  3.1959  22.561  2.8156  0.3829670      4.259244 
1 1 1 16  -6  19 o 127.035 2.8124  2174.86   95.648    2220.63   137.927   2132.46   132.754   128.314 4.0132  125.756 3.9412  2.557396       5.624832 
1 1 1 16  -6  20 o 59.542  2.0843  484.549   32.660    421.549   48.364    537.361   44.282    55.855  3.2468  63.229  2.6147  -7.373966      4.168678 
1 1 1 16  -6  21 o 72.027  2.1559  699.863   41.399    688.324   61.305    709.536   56.132    71.459  3.2030  72.596  2.8867  -1.136925      4.311886 
1 1 1 16  -6  22 o 52.516  4.4794  377.671   62.407    377.671   62.407    0.0000    0.0000    52.516  4.4794  ?       ?       ?              ?        
1 1 1 16  -6  23 f 36.165  1.9931  172.294   18.782    226.847   29.305    134.262   24.468    40.930  2.6880  31.400  2.9437  9.530670       3.986285 
1 1 1 16  -6  24 o 70.317  2.1926  675.041   40.877    622.684   60.811    718.202   55.213    67.744  3.3514  72.891  2.8280  -5.146873      4.385128 
1 1 1 16  -6  25 o 115.003 2.7197  1808.60   83.618    1812.89   122.095   1804.81   114.755   115.058 3.9618  114.947 3.7272  0.1111526      5.439480 
1 1 1 16  -6  26 o 58.497  2.0973  465.401   32.486    469.363   49.490    462.401   43.061    58.615  3.1640  58.379  2.7539  0.2360802      4.194581 
1 1 1 16  -6  27 f 28.642  2.1760  111.550   16.047    120.658   26.007    105.951   20.392    29.506  3.3502  27.779  2.7779  1.726973       4.352062 
1 1 1 16  -6  28 o 37.517  2.1071  186.117   20.580    242.252   32.953    150.223   26.350    42.014  2.9469  33.019  3.0126  8.995331       4.214231 
1 1 1 16  -6  29 o 29.731  2.2391  116.601   17.088    156.466   28.088    93.178    21.531    33.605  3.1576  25.857  3.1755  7.747578       4.478252 
1 1 1 16  -6  30 o 34.738  2.3283  171.507   20.416    156.102   33.261    180.820   25.861    33.223  3.8064  36.254  2.6823  -3.030666      4.656517 
1 1 1 16  -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -6  32 o 17.653  3.0863  48.555    14.099    39.350    24.675    53.017    17.180    16.161  5.0992  19.145  3.4784  -2.983887      6.172608 
1 1 1 16  -6  33 o 54.023  2.3294  413.456   32.771    418.082   52.189    410.445   42.106    53.945  3.6331  54.102  2.9165  -0.1568871     4.658878 
1 1 1 16  -6  34 o 15.160  3.1821  28.739    13.348    57.388    24.986    17.298    15.790    18.978  4.8863  11.343  4.0778  7.634751       6.364299 
1 1 1 16  -6  35 o 14.493  3.3126  32.967    14.126    32.417    25.190    33.219    17.061    14.411  5.1537  14.576  4.1631  -0.1648130     6.625121 
1 1 1 16  -6  36 o 24.682  3.1565  99.577    18.615    90.127    32.541    104.173   22.695    22.835  5.4044  26.529  3.2627  -3.693665      6.312938 
1 1 1 16  -6  37 o 13.078  3.3497  27.266    14.750    22.572    26.765    29.313    17.677    12.704  5.1175  13.451  4.3236  -0.7468204     6.699467 
1 1 1 16  -6  38 o 8.3709  3.9934  -21.1426  24.925    -21.1426  24.925    0.0000    0.0000    8.3709  3.9934  ?       ?       ?              ?        
1 1 1 16  -6  39 o 12.431  3.2030  25.919    15.159    0.4937    29.425    35.105    17.687    10.477  4.7697  14.386  4.2763  -3.908999      6.406010 
1 1 1 16  -6  40 o 13.936  3.1524  37.454    16.600    -3.0938   30.516    54.496    19.784    10.086  4.6869  17.786  4.2169  -7.699808      6.304727 
1 1 1 16  -6  41 o 9.0298  2.7682  5.3501    13.468    -31.2024  28.324    16.028    15.309    7.9394  3.8950  10.120  3.9345  -2.180761      5.536349 
1 1 1 16  -5  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -5  6  o 154.621 3.1438  3217.17   130.067   3104.71   185.867   3325.08   182.077   151.955 4.5667  157.288 4.3219  -5.333252      6.287520 
1 1 1 16  -5  7  o 82.282  2.0497  906.947   45.126    968.061   65.068    850.315   62.636    84.951  2.8596  79.613  2.9373  5.337311       4.099437 
1 1 1 16  -5  8  o 73.112  1.9686  717.767   38.306    826.316   54.995    615.474   53.387    78.493  2.6158  67.730  2.9428  10.76315       3.937296 
1 1 1 16  -5  9  o 193.298 3.8066  5036.08   196.967   5266.32   279.855   4810.07   277.270   197.698 5.2849  188.898 5.4801  8.800812       7.613276 
1 1 1 16  -5  10 o 217.497 4.2486  6388.63   247.457   6281.81   351.268   6493.88   348.661   215.670 6.0808  219.324 5.9351  -3.653717      8.497155 
1 1 1 16  -5  11 o 116.518 2.6288  1828.84   81.825    1705.15   117.016   1947.18   114.462   112.636 3.8786  120.400 3.5493  -7.763580      5.257540 
1 1 1 16  -5  12 o 37.097  1.7800  186.584   17.456    172.737   25.612    198.596   23.854    35.781  2.6921  38.412  2.3295  -2.631184      3.560018 
1 1 1 16  -5  13 o 220.382 5.4074  6669.06   298.148   6406.02   519.371   6798.35   364.121   216.506 8.9561  224.258 6.0619  -7.751877      10.81471 
1 1 1 16  -5  14 o 111.908 2.5389  1680.68   75.902    1856.96   109.451   1517.36   105.350   117.566 3.4758  106.251 3.7018  11.31526       5.077827 
1 1 1 16  -5  15 o 170.829 3.4414  3933.02   157.233   4228.55   224.799   3649.96   220.001   177.139 4.7380  164.518 4.9926  12.62093       6.882867 
1 1 1 16  -5  16 o 147.195 3.1537  2925.16   124.070   2757.72   177.591   3084.79   173.406   143.036 4.6354  151.353 4.2774  -8.316971      6.307401 
1 1 1 16  -5  17 f 91.025  2.3228  1115.73   56.484    1079.03   82.069    1148.76   77.858    89.586  3.4202  92.463  3.1437  -2.877167      4.645523 
1 1 1 16  -5  18 o 46.621  1.9987  299.362   24.271    245.793   36.070    343.686   32.810    42.641  3.1810  50.602  2.4208  -7.960777      3.997400 
1 1 1 16  -5  19 o 17.295  2.5527  44.747    11.254    28.657    17.825    55.410    14.511    14.470  4.2912  20.119  2.7659  -5.649465      5.105343 
1 1 1 16  -5  20 o 62.563  2.0287  523.678   33.870    559.217   50.620    494.870   45.575    64.468  2.9315  60.657  2.8051  3.810341       4.057409 
1 1 1 16  -5  21 o 125.233 2.8233  2121.64   94.615    2140.36   137.062   2104.60   130.772   125.735 4.0698  124.731 3.9143  1.004326       5.646645 
1 1 1 16  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -5  23 o 43.419  2.0001  255.782   22.897    253.635   34.857    257.412   30.368    43.220  3.0303  43.618  2.6113  -0.3984070     4.000194 
1 1 1 16  -5  24 o 73.306  2.1920  728.236   42.805    727.140   63.918    729.127   57.639    73.211  3.2596  73.401  2.9318  -0.1899719     4.384071 
1 1 1 16  -5  25 o 44.333  2.0007  265.069   23.408    283.777   36.126    251.531   30.732    45.639  2.9715  43.027  2.6799  2.612053       4.001428 
1 1 1 16  -5  26 o 19.460  2.5795  55.742    12.467    44.459    20.065    62.837    15.912    17.594  4.2953  21.325  2.8576  -3.731318      5.159043 
1 1 1 16  -5  27 o 80.981  2.2856  890.679   49.367    970.624   74.081    826.818   66.211    84.198  3.2849  77.764  3.1788  6.433205       4.571124 
1 1 1 16  -5  28 o 41.045  2.1269  230.487   22.834    237.516   35.887    225.705   29.598    41.481  3.2561  40.609  2.7371  0.8717499      4.253702 
1 1 1 16  -5  29 o 27.788  2.2969  102.979   16.378    132.203   26.859    85.681    20.664    30.806  3.3068  24.769  3.1888  6.037113       4.593827 
1 1 1 16  -5  30 o 36.320  2.2738  184.856   21.343    177.981   33.689    189.466   27.586    35.582  3.5836  37.059  2.7998  -1.476627      4.547668 
1 1 1 16  -5  31 o 12.058  3.1226  18.130    12.448    12.726    24.046    20.109    14.549    12.080  4.8560  12.036  3.9270  0.4337788E-01  6.245109 
1 1 1 16  -5  32 o 13.615  3.0498  27.443    12.361    21.235    21.388    30.556    15.146    12.855  4.7274  14.375  3.8546  -1.519776      6.099686 
1 1 1 16  -5  33 o 18.720  3.1759  52.880    14.949    56.227    26.485    51.315    18.109    18.846  5.1156  18.594  3.7652  0.2513103      6.351876 
1 1 1 16  -5  34 o 7.7647  2.3765  -5.0027   10.560    -45.8290  21.040    8.7463    12.210    6.4368  3.1942  9.0927  3.5197  -2.655893      4.753021 
1 1 1 16  -5  35 o 21.455  3.0912  69.791    16.405    81.950    28.474    63.749    20.072    22.450  4.8748  20.461  3.8025  1.989853       6.182444 
1 1 1 16  -5  36 o 13.111  3.0023  27.773    14.347    -4.7525   25.994    42.021    17.205    9.9116  4.5011  16.311  3.9744  -6.399644      6.004619 
1 1 1 16  -5  37 o 20.790  3.4526  76.859    17.983    64.328    33.061    82.124    21.430    18.405  5.9127  23.175  3.5667  -4.770878      6.905160 
1 1 1 16  -5  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -5  39 o 10.482  3.1671  4.4392    13.541    29.796    28.255    -3.1208   15.428    13.229  5.2830  7.7355  3.4946  5.493663       6.334208 
1 1 1 16  -5  40 o 9.4075  3.0304  0.3464    14.992    8.8853    28.690    -2.8608   17.583    10.721  4.8112  8.0939  3.6857  2.627298       6.060723 
1 1 1 16  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -4  5  o 106.139 4.6567  1514.67   132.386   1514.67   132.386   0.0000    0.0000    106.139 4.6567  ?       ?       ?              ?        
1 1 1 16  -4  6  o 49.609  1.7212  330.963   22.781    319.366   32.920    341.619   31.556    48.738  2.5304  50.480  2.3339  -1.741634      3.442412 
1 1 1 16  -4  7  o 131.407 2.7907  2319.37   98.127    2461.68   139.991   2181.92   137.586   135.377 3.8607  127.436 4.0308  7.941414       5.581442 
1 1 1 16  -4  8  o 152.636 3.1507  3133.14   128.795   3121.86   183.375   3144.12   180.936   152.360 4.4935  152.913 4.4177  -0.5530090     6.301346 
1 1 1 16  -4  9  o 175.125 3.5080  4128.48   164.521   4241.44   234.212   4018.46   231.154   177.496 4.9264  172.755 4.9955  4.741394       7.016060 
1 1 1 16  -4  10 o 156.513 3.2338  3297.63   135.505   3226.20   193.134   3366.88   190.166   154.829 4.6571  158.197 4.4879  -3.367081      6.467621 
1 1 1 16  -4  11 o 152.719 3.1591  3137.53   129.209   3182.85   184.489   3093.91   181.018   153.800 4.4784  151.639 4.4568  2.160751       6.318171 
1 1 1 16  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -4  13 o 213.415 4.1806  6152.33   238.942   6296.72   340.159   6011.68   335.715   215.895 5.8823  210.934 5.9420  4.961716       8.361201 
1 1 1 16  -4  14 o 118.661 2.6382  1890.21   83.564    2114.00   120.574   1683.37   115.918   125.427 3.5890  111.895 3.8677  13.53217       5.276362 
1 1 1 16  -4  15 o 250.396 4.8586  8507.88   325.827   8458.21   463.214   8556.53   458.401   249.646 6.9274  251.146 6.8144  -1.500366      9.717244 
1 1 1 16  -4  16 o 117.685 2.7412  1874.56   85.869    1678.87   123.586   2057.21   119.396   111.674 4.1317  123.695 3.6037  -12.02081      5.482462 
1 1 1 16  -4  17 o 18.978  2.3139  49.170    11.270    55.750    17.134    44.153    14.962    20.106  3.2957  17.850  3.2490  2.255959       4.627895 
1 1 1 16  -4  18 o 136.815 2.9951  2527.57   109.607   2455.16   157.761   2595.13   152.394   134.888 4.3665  138.742 4.1008  -3.853348      5.990272 
1 1 1 16  -4  19 o 123.688 2.8081  2067.59   92.848    1997.20   134.128   2132.36   128.658   121.629 4.1171  125.747 3.8199  -4.118202      5.616239 
1 1 1 16  -4  20 o 106.617 2.5188  1527.42   71.748    1687.02   104.882   1387.05   98.364    111.844 3.5010  101.390 3.6221  10.45475       5.037513 
1 1 1 16  -4  21 o 41.876  2.5219  233.163   27.048    218.960   33.656    259.071   45.455    40.175  3.1529  43.577  3.9369  -3.402035      5.043771 
1 1 1 16  -4  22 o 91.028  2.3490  1115.33   57.140    1192.53   84.376    1049.93   77.658    93.917  3.3542  88.139  3.2895  5.777863       4.698034 
1 1 1 16  -4  23 o 53.674  2.0167  387.843   28.697    409.630   43.605    371.197   38.114    54.974  2.9724  52.374  2.7263  2.599354       4.033382 
1 1 1 16  -4  24 o 49.815  2.0165  334.509   26.543    353.826   40.856    320.403   34.914    51.018  3.0030  48.613  2.6919  2.405514       4.032927 
1 1 1 16  -4  25 o 18.231  2.5331  43.609    11.588    62.088    19.647    33.751    14.350    21.038  3.6171  15.425  3.5472  5.612297       5.066174 
1 1 1 16  -4  26 o 18.280  2.6384  49.303    12.192    39.005    19.402    56.023    15.673    16.484  4.3361  20.076  3.0072  -3.591597      5.276858 
1 1 1 16  -4  27 o 71.702  2.2384  702.334   42.659    709.788   64.565    696.559   56.831    71.950  3.3502  71.455  2.9694  0.4954529      4.476752 
1 1 1 16  -4  28 o 37.316  2.2815  197.854   21.689    168.078   33.977    218.329   28.176    34.675  3.7162  39.957  2.6477  -5.281128      4.562933 
1 1 1 16  -4  29 o 20.410  2.6859  55.118    13.647    79.104    23.537    42.972    16.749    23.547  3.8660  17.273  3.7295  6.274599       5.371720 
1 1 1 16  -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -4  31 o 30.683  2.5347  137.578   19.328    119.916   31.360    148.396   24.543    28.703  4.2037  32.664  2.8333  -3.961143      5.069374 
1 1 1 16  -4  32 o 29.688  2.6691  130.983   19.505    114.525   31.973    140.738   24.617    27.717  4.4579  31.659  2.9364  -3.941727      5.338117 
1 1 1 16  -4  33 o 24.117  2.9732  89.014    17.403    81.859    29.673    92.766    21.487    22.824  4.9926  25.409  3.2301  -2.584970      5.946404 
1 1 1 16  -4  34 o 14.111  2.9724  33.135    13.624    5.2584    25.024    44.879    16.242    10.941  4.7120  17.282  3.6247  -6.340715      5.944828 
1 1 1 16  -4  35 o 36.396  2.5888  194.670   23.887    209.431   40.145    186.579   29.720    36.956  4.1260  35.835  3.1277  1.121014       5.177506 
1 1 1 16  -4  36 o 18.903  2.9647  69.927    17.692    4.4631    30.553    102.954   21.701    11.360  5.0397  26.446  3.1240  -15.08583      5.929420 
1 1 1 16  -4  37 o 14.120  3.9294  30.845    21.390    23.379    27.372    42.558    34.283    12.844  5.1747  15.396  5.9145  -2.551371      7.858746 
1 1 1 16  -4  38 o 8.2797  2.6973  -4.7800   12.549    -17.6196  25.753    -0.7822   14.370    8.7292  4.1339  7.8303  3.4659  0.8988910      5.394629 
1 1 1 16  -4  39 o 14.042  3.6324  29.416    16.224    58.095    31.692    19.231    18.887    16.787  5.7986  11.298  4.3764  5.489130       7.264703 
1 1 1 16  -4  40 o 12.635  3.5208  24.072    15.351    48.501    31.493    16.459    17.581    14.782  5.6712  10.488  4.1739  4.293895       7.041562 
1 1 1 16  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -3  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -3  5  o 51.834  1.7738  360.315   24.567    380.494   35.310    341.382   34.203    53.273  2.4746  50.395  2.5421  2.877697       3.547654 
1 1 1 16  -3  6  o 116.572 2.6041  1824.41   81.286    1831.41   116.489   1817.77   113.482   116.787 3.7239  116.358 3.6412  0.4289093      5.208256 
1 1 1 16  -3  7  o 50.633  1.7752  343.009   23.787    412.653   34.828    282.116   32.566    55.479  2.3437  45.787  2.6670  9.691532       3.550473 
1 1 1 16  -3  8  o 209.012 4.0952  5891.02   229.255   5909.88   325.972   5872.56   322.487   209.337 5.8136  208.686 5.7694  0.6511383      8.190466 
1 1 1 16  -3  9  o 252.406 4.8434  8618.08   327.425   8757.19   464.976   8481.26   461.146   254.436 6.8228  250.376 6.8763  4.060272       9.686810 
1 1 1 16  -3  10 o 176.360 3.5835  4192.57   169.153   4056.43   241.005   4324.74   237.472   173.512 5.1857  179.208 4.9473  -5.695114      7.167070 
1 1 1 16  -3  11 o 252.885 6.9961  8760.23   473.858   8871.54   672.647   8650.58   667.654   254.495 9.8678  251.276 9.9200  3.218903       13.99211 
1 1 1 16  -3  12 o 133.764 2.8703  2403.90   102.793   2503.45   147.602   2310.15   143.240   136.454 4.0385  131.074 4.0800  5.379150       5.740673 
1 1 1 16  -3  13 o 125.650 2.7914  2126.30   93.776    2034.69   134.740   2212.36   130.597   123.003 4.0897  128.297 3.8004  -5.294243      5.582887 
1 1 1 16  -3  14 o 93.948  2.3748  1191.03   59.477    1101.85   86.150    1272.25   82.214    90.556  3.5518  97.340  3.1533  -6.784370      4.749589 
1 1 1 16  -3  15 o 119.866 2.7236  1935.56   87.278    1860.79   125.764   2005.02   121.220   117.610 3.9923  122.121 3.7059  -4.510834      5.447221 
1 1 1 16  -3  16 o 74.825  2.1263  751.723   42.509    754.711   62.398    749.136   58.069    74.956  3.1080  74.693  2.9025  0.2630005      4.252550 
1 1 1 16  -3  17 o 145.174 3.1468  2851.06   121.982   2658.20   175.183   3032.57   169.954   140.344 4.6602  150.003 4.2300  -9.658691      6.293697 
1 1 1 16  -3  18 o 78.201  2.2097  824.766   46.065    794.385   67.811    850.800   62.772    76.842  3.2946  79.560  2.9456  -2.717918      4.419429 
1 1 1 16  -3  19 o 49.300  2.0032  329.405   26.077    316.086   39.290    339.890   34.862    48.374  3.0479  50.226  2.6003  -1.851643      4.006451 
1 1 1 16  -3  20 o 86.327  2.3145  1005.54   53.327    992.055   78.515    1017.10   72.656    85.764  3.4179  86.890  3.1219  -1.126442      4.629049 
1 1 1 16  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -3  22 o 35.329  2.0333  171.124   18.703    160.288   28.863    178.966   24.555    34.296  3.1782  36.362  2.5371  -2.066864      4.066623 
1 1 1 16  -3  23 o 28.943  2.1849  117.790   16.039    100.070   24.995    130.193   20.912    26.922  3.5531  30.964  2.5439  -4.042711      4.369848 
1 1 1 16  -3  24 o 22.600  2.5552  78.001    13.712    49.630    21.960    96.132    17.555    18.636  4.4591  26.564  2.4966  -7.928028      5.110483 
1 1 1 16  -3  25 f 45.018  2.0632  277.343   24.352    270.255   37.633    282.448   31.940    44.444  3.1824  45.592  2.6266  -1.148117      4.126354 
1 1 1 16  -3  26 o 27.233  2.5106  111.452   16.287    74.063    25.547    137.056   21.141    22.762  4.3488  31.704  2.5101  -8.941332      5.021254 
1 1 1 16  -3  27 f 26.102  2.4220  97.369    15.813    85.211    25.175    105.292   20.322    24.527  3.9676  27.676  2.7790  -3.148176      4.844030 
1 1 1 16  -3  28 o 7.8812  2.3864  0.5591    8.6290    -4.0877   15.289    2.7313    10.453    8.0979  3.5802  7.6645  3.1564  0.4334707      4.772882 
1 1 1 16  -3  29 o 37.449  2.8199  196.814   27.428    189.458   35.578    207.591   43.062    36.738  3.6644  38.160  4.2872  -1.422028      5.639884 
1 1 1 16  -3  30 o 26.091  2.7306  102.186   17.134    82.558    28.449    113.357   21.463    23.616  4.6630  28.567  2.8428  -4.951401      5.461243 
1 1 1 16  -3  31 o 18.784  3.0145  49.249    14.048    63.467    25.116    42.774    16.948    20.504  4.6767  17.064  3.8050  3.440468       6.029099 
1 1 1 16  -3  32 o 28.096  2.9001  123.415   19.075    95.209    32.476    138.270   23.569    24.797  5.0610  31.396  2.8332  -6.599337      5.800103 
1 1 1 16  -3  33 o 24.617  2.7846  84.039    17.105    116.873   29.374    67.195    21.039    28.005  4.0323  21.230  3.8414  6.775141       5.569203 
1 1 1 16  -3  34 o 17.607  2.9934  57.225    15.646    13.030    28.004    77.283    18.866    12.159  5.0996  23.056  3.1363  -10.89730      5.986865 
1 1 1 16  -3  35 o 10.187  2.9342  9.7509    12.844    -8.6372   24.650    16.604    15.048    9.4179  4.3171  10.956  3.9749  -1.537705      5.868323 
1 1 1 16  -3  36 o 27.922  3.2114  129.380   21.110    111.866   36.667    138.064   25.819    25.260  5.5694  30.584  3.1991  -5.324213      6.422763 
1 1 1 16  -3  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -3  38 o 11.958  3.2860  21.652    15.232    6.7331    29.379    27.136    17.813    11.077  4.9267  12.840  4.3494  -1.763125      6.571919 
1 1 1 16  -3  39 o 14.504  3.5361  40.666    16.859    29.845    32.436    44.672    19.733    13.107  5.4925  15.900  4.4552  -2.792331      7.072221 
1 1 1 16  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -2  3  o 138.228 3.8352  2678.65   130.358   2871.34   159.277   2287.74   226.867   146.220 4.0668  130.236 6.5036  15.98470       7.670455 
1 1 1 16  -2  4  o 138.326 2.9310  2575.06   108.364   2403.16   154.191   2742.84   152.327   133.739 4.3044  142.912 3.9794  -9.173233      5.862033 
1 1 1 16  -2  5  o 144.195 2.9569  2793.53   114.178   2717.04   160.992   2870.94   161.956   142.204 4.2267  146.186 4.1362  -3.982178      5.913831 
1 1 1 16  -2  6  o 111.987 2.4816  1684.66   74.344    1584.85   104.974   1785.09   105.305   108.650 3.6071  115.325 3.4091  -6.674942      4.963199 
1 1 1 16  -2  7  o 158.965 3.2095  3398.09   136.654   3403.54   193.199   3392.64   193.318   159.093 4.5338  158.837 4.5439  0.2562866      6.418965 
1 1 1 16  -2  8  o 73.089  1.9547  716.692   38.259    730.163   53.979    703.093   54.236    73.781  2.7314  72.398  2.7969  1.383316       3.909391 
1 1 1 16  -2  9  o 151.685 3.1363  3094.62   127.420   3119.35   179.964   3069.75   180.433   152.296 4.4117  151.074 4.4590  1.222580       6.272637 
1 1 1 16  -2  10 o 146.963 3.0310  2904.86   119.294   2955.55   168.420   2853.82   168.996   148.256 4.2412  145.670 4.3313  2.586426       6.062021 
1 1 1 16  -2  11 f 97.493  4.5374  1279.05   118.488   0.0000    0.0000    1279.05   118.488   ?       ?       97.493  4.5374  ?              ?        
1 1 1 16  -2  12 o 244.919 4.7415  8120.34   311.039   8032.50   439.454   8208.52   440.299   243.581 6.7357  246.259 6.6752  -2.678116      9.483058 
1 1 1 16  -2  13 o 63.039  1.9166  533.446   32.344    546.748   45.433    519.775   46.057    63.838  2.6570  62.239  2.7628  1.599007       3.833108 
1 1 1 16  -2  14 o 140.487 2.9289  2655.21   110.212   2648.46   155.544   2662.01   156.183   140.308 4.1389  140.665 4.1453  -0.3575439     5.857805 
1 1 1 16  -2  15 o 134.098 2.8870  2419.98   103.691   2435.94   146.339   2403.88   146.946   134.546 4.0607  133.650 4.1049  0.8952789      5.774012 
1 1 1 16  -2  16 o 110.177 2.5273  1632.43   74.581    1630.56   105.125   1634.32   105.827   110.115 3.5643  110.239 3.5840  -0.1245270     5.054640 
1 1 1 16  -2  17 o 123.773 2.7506  2063.34   91.189    2053.35   128.642   2073.43   129.282   123.472 3.8898  124.074 3.8902  -0.6020050     5.501249 
1 1 1 16  -2  18 o 32.436  1.8226  142.660   15.635    156.373   22.024    128.729   22.199    34.039  2.4317  30.834  2.7156  3.205181       3.645251 
1 1 1 16  -2  19 o 120.313 2.7257  1954.23   87.835    1959.68   123.948   1948.72   124.490   120.485 3.8408  120.141 3.8686  0.3441772      5.451370 
1 1 1 16  -2  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -2  21 o 99.557  2.4116  1339.75   64.299    1307.94   90.606    1372.03   91.263    98.359  3.4392  100.755 3.3817  -2.396530      4.823271 
1 1 1 16  -2  22 o 42.397  1.8322  243.136   20.696    232.611   28.998    254.062   29.546    41.453  2.6253  43.341  2.5564  -1.887817      3.664334 
1 1 1 16  -2  23 o 38.897  1.8239  205.196   18.889    209.117   26.595    201.204   26.834    39.281  2.5413  38.513  2.6168  0.7675095      3.647766 
1 1 1 16  -2  24 o 41.625  1.8367  235.295   20.369    239.314   28.632    231.178   28.983    41.994  2.5577  41.255  2.6366  0.7394295      3.673354 
1 1 1 16  -2  25 o 7.7475  2.3902  -1.9794   8.3857    0.8762    16.046    -3.0524   9.8357    9.0053  3.8229  6.4898  2.8703  2.515422       4.780440 
1 1 1 16  -2  26 o 31.617  2.1971  138.745   17.907    132.368   28.178    143.065   23.193    30.892  3.4652  32.342  2.7021  -1.450022      4.394228 
1 1 1 16  -2  27 o 34.658  2.1948  164.811   19.664    169.208   31.595    162.032   25.122    34.931  3.4208  34.385  2.7507  0.5460396      4.389543 
1 1 1 16  -2  28 o 31.384  2.3372  137.404   18.530    135.618   30.715    138.427   23.235    31.047  3.7709  31.721  2.7622  -0.6740532     4.674323 
1 1 1 16  -2  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -2  30 o 44.886  2.2824  281.371   26.508    281.745   42.636    281.135   33.844    44.692  3.5921  45.081  2.8170  -0.3899422     4.564878 
1 1 1 16  -2  31 o 17.224  3.0575  40.088    13.781    63.606    23.823    28.260    16.895    20.577  4.4518  13.871  4.1924  6.706413       6.115081 
1 1 1 16  -2  32 o 8.9066  2.6420  2.1916    11.240    -17.9952  20.461    10.915    13.451    7.9824  3.7509  9.8309  3.7218  -1.848534      5.284084 
1 1 1 16  -2  33 o 38.253  2.5165  212.817   24.243    213.768   40.795    212.298   30.142    37.832  4.0911  38.674  2.9316  -0.8427925     5.032982 
1 1 1 16  -2  34 o 22.565  3.0836  78.950    16.825    80.968    29.903    78.016    20.352    22.161  5.1378  22.970  3.4116  -0.8086910     6.167290 
1 1 1 16  -2  35 f 16.661  3.4063  39.979    15.338    67.553    27.998    28.155    18.334    19.933  5.1923  13.390  4.4103  6.542704       6.812541 
1 1 1 16  -2  36 o 12.592  5.1492  20.180    27.574    20.180    27.574    0.0000    0.0000    12.592  5.1492  ?       ?       ?              ?        
1 1 1 16  -2  37 o 23.923  3.3187  89.276    18.986    112.961   35.465    79.761    22.478    25.284  5.4008  22.562  3.8582  2.722294       6.637380 
1 1 1 16  -2  38 o 11.259  3.2662  10.197    13.797    35.250    28.376    2.4407    15.788    14.013  5.3815  8.5059  3.7028  5.507039       6.532339 
1 1 1 16  -2  39 o 26.781  3.6308  134.646   22.967    128.908   41.421    137.194   27.598    24.303  6.3081  29.260  3.5971  -4.957165      7.261627 
1 1 1 16  -1  0  o 179.344 4.4518  4375.12   199.985   4452.83   244.251   4217.07   348.331   181.986 5.0108  176.703 7.3597  5.282700       8.903556 
1 1 1 16  -1  1  o 124.631 2.6526  2085.67   88.519    2131.40   124.535   2038.98   125.844   126.017 3.6895  123.245 3.8122  2.771454       5.305212 
1 1 1 16  -1  2  o 38.398  1.5631  198.312   15.984    212.430   22.776    184.609   22.438    39.754  2.1469  37.042  2.2725  2.711777       3.126286 
1 1 1 16  -1  3  o 265.429 5.0553  9519.73   359.297   9780.11   507.832   9258.75   508.413   269.097 7.0457  261.761 7.2514  7.335938       10.11061 
1 1 1 16  -1  4  o 132.174 2.8081  2346.37   99.406    2364.69   139.989   2327.74   141.182   132.697 3.9386  131.650 4.0038  1.046753       5.616293 
1 1 1 16  -1  5  o 95.378  2.3245  1220.69   59.382    1207.58   83.677    1233.98   84.283    94.863  3.2933  95.894  3.2814  -1.031822      4.648982 
1 1 1 16  -1  6  o 87.781  2.1960  1033.90   51.628    1017.73   72.961    1050.13   73.064    87.092  3.1277  88.470  3.0833  -1.377716      4.391968 
1 1 1 16  -1  7  o 36.408  1.6499  178.470   15.999    183.692   22.653    173.274   22.600    36.944  2.3007  35.872  2.3654  1.072582       3.299735 
1 1 1 16  -1  8  f 153.727 3.1771  3178.25   130.817   3186.91   185.048   3169.60   184.957   153.937 4.4880  153.517 4.4981  0.4200439      6.354109 
1 1 1 16  -1  9  o 191.857 3.8433  4961.66   197.479   5051.29   279.304   4872.06   279.251   193.601 5.3862  190.113 5.4840  3.487595       7.686668 
1 1 1 16  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -1  11 o 205.050 4.0438  5673.71   222.086   5608.72   313.791   5738.93   314.364   203.866 5.7465  206.234 5.6909  -2.367966      8.087603 
1 1 1 16  -1  12 o 149.097 3.1253  2991.08   124.811   2992.26   176.248   2989.89   176.771   149.128 4.4124  149.067 4.4273  0.6140137E-01  6.250647 
1 1 1 16  -1  13 o 88.401  2.2331  1049.25   52.872    1054.70   74.506    1043.73   75.042    88.633  3.1384  88.168  3.1776  0.4646988      4.466201 
1 1 1 16  -1  14 o 124.520 2.6861  2084.73   89.586    2094.11   126.456   2075.28   126.932   124.803 3.7829  124.237 3.8144  0.5663528      5.372182 
1 1 1 16  -1  15 o 111.676 2.5131  1676.60   75.164    1644.53   106.003   1709.03   106.595   110.599 3.5783  112.753 3.5296  -2.153656      5.026142 
1 1 1 16  -1  16 f 85.623  2.2319  985.481   51.173    1005.03   72.075    965.613   72.668    86.484  3.1114  84.763  3.2007  1.721024       4.463819 
1 1 1 16  -1  17 o 102.681 2.4083  1419.05   66.178    1343.91   93.169    1495.56   94.018    99.927  3.4810  105.436 3.3291  -5.509689      4.816669 
1 1 1 16  -1  18 o 60.531  1.9085  492.375   30.938    479.495   43.463    505.603   44.047    59.728  2.7168  61.335  2.6811  -1.607361      3.817008 
1 1 1 16  -1  19 o 117.218 3.4637  1899.67   100.295   1954.64   121.751   1783.61   176.911   120.303 3.7784  114.132 5.8062  6.171028       6.927350 
1 1 1 16  -1  20 o 119.763 3.3790  1946.86   101.088   1968.08   178.957   1936.92   122.504   119.893 5.5727  119.634 3.8230  0.2589645      6.758010 
1 1 1 16  -1  21 o 47.589  1.8518  305.875   23.504    294.212   32.855    318.100   33.636    46.654  2.6401  48.523  2.5974  -1.869747      3.703605 
1 1 1 16  -1  22 o 22.040  2.0261  66.765    11.661    68.088    16.196    65.341    16.802    22.287  2.7731  21.792  2.9549  0.4955215      4.052301 
1 1 1 16  -1  23 o 12.269  2.4473  20.734    8.5061    15.802    11.732    26.201    12.351    10.919  3.5237  13.620  3.3971  -2.700956      4.894543 
1 1 1 16  -1  24 o 23.177  2.1136  74.933    12.383    54.145    17.221    97.185    17.818    19.664  3.3923  26.689  2.5223  -7.025043      4.227245 
1 1 1 16  -1  25 o 53.845  1.9379  394.205   27.893    398.506   39.174    389.783   39.726    54.189  2.6990  53.502  2.7817  0.6871643      3.875893 
1 1 1 16  -1  26 o 9.6966  2.4832  10.831    8.2933    10.349    11.476    11.358    11.998    9.5327  3.4693  9.8605  3.5536  -0.3277988     4.966316 
1 1 1 16  -1  27 o 11.313  2.4152  16.303    8.8335    4.1979    12.498    28.387    12.487    8.5287  3.4747  14.098  3.3554  -5.569043      4.830311 
1 1 1 16  -1  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  -1  29 o 31.347  2.0465  136.420   16.966    140.216   23.652    132.397   24.350    31.833  2.8025  30.861  2.9830  0.9724522      4.092957 
1 1 1 16  -1  30 o 15.730  2.7353  36.200    11.519    29.640    15.904    43.440    16.708    14.215  4.0054  17.245  3.7260  -3.030105      5.470520 
1 1 1 16  -1  31 o 13.019  3.0933  24.320    13.518    8.4072    22.847    32.890    16.768    11.196  4.6437  14.841  4.0879  -3.645248      6.186637 
1 1 1 16  -1  32 o 40.592  2.3914  230.554   25.068    261.596   41.364    212.534   31.516    42.472  3.6722  38.712  3.0645  3.759434       4.782860 
1 1 1 16  -1  33 f 34.720  2.5632  173.651   22.547    190.236   38.069    164.690   27.983    35.590  4.0665  33.849  3.1215  1.740398       5.126462 
1 1 1 16  -1  34 f 7.0419  2.3403  -11.0185  10.589    -43.1950  23.542    -2.8566   11.857    7.0748  3.4865  7.0089  3.1228  0.6586790E-01  4.680534 
1 1 1 16  -1  35 o 11.828  3.1994  11.112    13.396    38.397    25.718    0.9533    15.693    15.161  5.2243  8.4947  3.6947  6.666626       6.398739 
1 1 1 16  -1  36 o 7.0729  3.2324  -6.2227   13.677    0.0000    0.0000    -6.2227   13.677    ?       ?       7.0729  3.2324  ?              ?        
1 1 1 16  -1  37 o 23.125  3.5757  93.594    20.038    91.317    36.836    94.551    23.880    21.612  6.0980  24.638  3.7359  -3.025463      7.151356 
1 1 1 16  -1  38 o 21.609  3.7316  81.057    19.908    105.114   37.139    71.357    23.582    22.795  6.0007  20.424  4.4376  2.370792       7.463266 
1 1 1 16  0   0  o 75.759  1.9731  769.542   40.034    752.732   56.346    786.678   56.890    74.923  2.8078  76.595  2.7730  -1.672005      3.946240 
1 1 1 16  0   1  o 210.721 4.0909  5979.22   230.895   5978.08   326.464   5980.36   326.607   210.701 5.7847  210.741 5.7861  -0.3990173E-01 8.181802 
1 1 1 16  0   2  o 151.809 3.0833  3096.54   125.362   3137.73   177.108   3055.18   177.470   152.825 4.3267  150.794 4.3939  2.031052       6.166576 
1 1 1 16  0   3  o 166.805 3.3339  3741.03   148.942   3783.87   210.237   3697.86   211.037   167.769 4.6785  165.842 4.7509  1.927582       6.667809 
1 1 1 16  0   4  o 159.983 3.2646  3440.89   139.891   3435.15   197.316   3446.69   198.360   159.850 4.6085  160.116 4.6252  -0.2660065     6.529241 
1 1 1 16  0   5  o 140.152 2.9550  2639.32   110.919   2590.84   156.612   2688.12   157.117   138.857 4.2108  141.447 4.1471  -2.589767      5.910086 
1 1 1 16  0   6  o 82.651  2.1155  916.463   46.834    920.059   66.252    912.872   66.213    82.813  2.9868  82.489  2.9968  0.3245468      4.231098 
1 1 1 16  0   7  o 52.127  1.8039  364.893   25.134    377.000   35.614    352.879   35.476    53.023  2.5076  51.231  2.5938  1.792072       3.607739 
1 1 1 16  0   8  o 75.913  2.0161  773.279   40.975    800.895   58.022    745.802   57.874    77.268  2.8035  74.559  2.8980  2.709190       4.032145 
1 1 1 16  0   9  o 178.784 7.1227  4328.11   341.086   0.0000    0.0000    4328.11   341.086   ?       ?       178.784 7.1227  ?              ?        
1 1 1 16  0   10 o 138.634 2.9355  2583.95   108.999   2560.93   154.070   2607.01   154.226   138.014 4.1678  139.254 4.1349  -1.240402      5.870903 
1 1 1 16  0   11 o 147.482 3.0806  2925.76   121.691   2918.12   171.924   2933.42   172.270   147.288 4.3579  147.674 4.3553  -0.3860321     6.161160 
1 1 1 16  0   12 o 51.072  1.8149  350.311   24.781    342.691   34.897    358.063   35.198    50.478  2.5898  51.667  2.5434  -1.188671      3.629844 
1 1 1 16  0   13 o 95.033  2.2704  1212.70   57.786    1190.46   81.434    1235.25   82.013    94.154  3.2290  95.912  3.1924  -1.757896      4.540735 
1 1 1 16  0   14 o 170.661 3.4461  3927.05   157.521   3882.30   222.427   3972.07   223.112   169.681 4.8940  171.642 4.8530  -1.960266      6.892241 
1 1 1 16  0   15 o 37.423  1.7604  188.984   17.492    171.699   24.610    206.631   24.866    35.673  2.5933  39.172  2.3813  -3.498474      3.520769 
1 1 1 16  0   16 f 61.328  1.9439  505.114   31.931    500.434   44.997    509.862   45.319    61.041  2.7522  61.614  2.7460  -0.5727005     3.887821 
1 1 1 16  0   17 o 30.311  1.8239  124.306   14.663    127.972   20.801    120.684   20.673    30.762  2.5474  29.860  2.6111  0.9024811      3.647873 
1 1 1 16  0   18 o 116.080 2.5897  1817.68   80.511    1784.25   113.562   1851.45   114.161   115.002 3.6867  117.159 3.6379  -2.156799      5.179408 
1 1 1 16  0   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  0   20 o 75.605  2.1072  770.905   42.669    757.501   60.032    784.590   60.659    74.939  2.9908  76.271  2.9692  -1.332092      4.214390 
1 1 1 16  0   21 o 39.164  1.8347  208.085   19.096    218.338   26.649    197.266   27.376    40.179  2.4885  38.149  2.6966  2.029411       3.669356 
1 1 1 16  0   22 o 9.1286  2.2436  8.6307    7.3827    16.636    10.171    -0.2819   10.733    10.987  3.2371  7.2699  3.1073  3.717358       4.487117 
1 1 1 16  0   23 o 39.795  1.8411  215.139   19.474    197.926   27.328    232.898   27.758    38.152  2.6916  41.439  2.5128  -3.286758      3.682195 
1 1 1 16  0   24 o 39.625  1.8966  214.164   19.968    226.600   28.008    201.309   28.476    40.827  2.5743  38.422  2.7859  2.405285       3.793200 
1 1 1 16  0   25 o 20.354  2.1835  57.720    11.422    47.922    15.828    68.366    16.499    18.456  3.3240  22.253  2.8323  -3.796461      4.367011 
1 1 1 16  0   26 o 27.676  2.0432  105.637   14.902    108.604   20.765    102.487   21.398    28.106  2.7954  27.247  2.9806  0.8589211      4.086339 
1 1 1 16  0   27 o 81.355  2.2785  911.155   49.554    967.956   69.746    853.250   70.420    83.997  3.1000  78.713  3.3401  5.284561       4.557037 
1 1 1 16  0   28 o 67.690  2.1170  630.531   38.314    585.604   53.980    676.142   54.390    65.200  3.0910  70.180  2.8934  -4.979950      4.233912 
1 1 1 16  0   29 o 23.659  2.2899  78.989    13.903    63.111    19.158    96.654    20.207    20.996  3.5321  26.322  2.9152  -5.325901      4.579753 
1 1 1 16  0   30 o 33.081  2.0921  153.083   18.333    152.116   25.502    154.117   26.373    32.992  2.9159  33.170  3.0010  -0.1775055     4.184278 
1 1 1 16  0   31 o 32.492  2.1220  149.372   18.194    159.093   25.416    139.157   26.055    33.669  2.8450  31.314  3.1491  2.354792       4.243921 
1 1 1 16  0   32 o 25.544  2.2852  94.299    15.229    101.909   21.514    86.656    21.560    26.681  3.0662  24.408  3.3893  2.272686       4.570437 
1 1 1 16  0   33 o 17.480  2.7181  46.950    12.453    56.878    17.607    37.013    17.615    19.548  3.4908  15.412  4.1672  4.136846       5.436146 
1 1 1 16  0   34 o 21.740  3.5014  66.621    18.068    108.380   36.147    52.714    20.860    25.269  5.4971  18.211  4.3384  7.057783       7.002881 
1 1 1 16  0   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  0   36 o 16.435  3.7395  42.992    16.852    61.135    33.610    36.899    19.477    17.946  5.9742  14.924  4.4993  3.022095       7.478966 
1 1 1 16  0   37 o 36.225  3.2169  222.466   27.197    196.581   47.551    235.050   33.155    32.824  5.6100  39.625  3.1498  -6.800774      6.433798 
1 1 1 16  0   38 o 20.477  3.6906  83.780    19.611    73.548    37.601    87.603    22.985    17.794  6.3038  23.160  3.8397  -5.365656      7.381137 
1 1 1 16  1   0  o 84.935  2.0732  967.487   47.165    967.854   66.861    967.122   66.542    84.951  2.9384  84.919  2.9255  0.3162384E-01  4.146446 
1 1 1 16  1   1  o 79.018  1.9721  837.333   41.734    854.800   59.102    819.961   58.940    79.841  2.7637  78.195  2.8141  1.645767       3.944266 
1 1 1 16  1   2  o 272.376 5.1971  10028.48  379.154   10053.92  535.811   10002.98  536.599   272.727 7.3349  272.025 7.3647  0.7019958      10.39418 
1 1 1 16  1   3  o 134.769 2.8516  2439.83   102.922   2474.97   145.113   2404.25   145.998   135.750 3.9910  133.788 4.0742  1.961365       5.703228 
1 1 1 16  1   4  o 86.232  2.1417  997.617   49.463    1003.09   69.605    992.028   70.302    86.473  3.0052  85.992  3.0523  0.4805984      4.283385 
1 1 1 16  1   5  o 178.450 3.5650  4285.63   170.382   4212.87   240.629   4358.78   241.284   176.925 5.0777  179.975 5.0053  -3.050278      7.129944 
1 1 1 16  1   6  o 37.592  1.7245  190.354   17.259    197.974   24.410    182.737   24.405    38.352  2.3881  36.832  2.4884  1.519993       3.448911 
1 1 1 16  1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  1   8  o 166.910 3.3824  3749.25   151.202   3811.64   214.076   3687.13   213.590   168.301 4.7489  165.518 4.8178  2.783203       6.764814 
1 1 1 16  1   9  o 136.169 2.9041  2492.45   105.912   2529.75   149.952   2455.32   149.613   137.189 4.0808  135.150 4.1330  2.039566       5.808143 
1 1 1 16  1   10 o 176.078 3.5296  4175.38   166.463   4186.79   235.467   4163.97   235.361   176.320 4.9859  175.836 4.9973  0.4836273      7.059190 
1 1 1 16  1   11 o 74.804  2.0514  751.034   41.088    773.990   58.122    728.101   58.091    75.949  2.8571  73.659  2.9444  2.290230       4.102764 
1 1 1 16  1   12 o 172.559 3.4422  4011.75   159.073   3928.62   224.755   4095.20   225.173   170.758 4.9140  174.361 4.8215  -3.602158      6.884350 
1 1 1 16  1   13 o 84.523  2.1728  959.354   49.185    971.672   69.381    946.909   69.735    85.071  3.0449  83.976  3.1003  1.094910       4.345510 
1 1 1 16  1   14 o 158.236 3.2960  3376.48   139.646   3473.13   197.317   3279.50   197.661   160.521 4.5893  155.951 4.7320  4.570480       6.591908 
1 1 1 16  1   15 f 79.087  2.0978  840.742   44.411    872.278   62.648    808.886   62.965    80.584  2.9025  77.590  3.0297  2.993759       4.195693 
1 1 1 16  1   16 o 106.111 2.4774  1515.83   70.409    1524.58   99.276    1506.98   99.873    106.422 3.4828  105.799 3.5243  0.6226730      4.954856 
1 1 1 16  1   17 o 91.597  2.2809  1129.97   55.938    1160.89   78.830    1098.61   79.389    92.868  3.1691  90.326  3.2814  2.541817       4.561859 
1 1 1 16  1   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  1   19 o 12.325  2.0879  19.808    8.1062    0.9282    11.325    39.639    11.607    7.6878  3.2347  16.962  2.6407  -9.274716      4.175717 
1 1 1 16  1   20 o 83.242  2.1936  936.061   48.907    933.172   68.813    939.010   69.523    83.115  3.0910  83.369  3.1134  -0.2543564     4.387204 
1 1 1 16  1   21 o 88.523  2.2943  1061.82   54.395    1068.99   76.655    1054.55   77.200    88.832  3.2217  88.215  3.2673  0.6165466      4.588505 
1 1 1 16  1   22 o 40.871  1.8600  226.880   20.230    238.075   28.537    215.570   28.682    41.904  2.5547  39.837  2.7040  2.067364       3.719949 
1 1 1 16  1   23 o 16.301  2.2983  37.400    9.6822    38.045    13.785    36.772    13.602    16.444  3.2451  16.158  3.2554  0.2857494      4.596562 
1 1 1 16  1   24 o 31.092  1.9019  132.059   15.681    130.300   21.980    133.883   22.377    30.881  2.6841  31.303  2.6951  -0.4224110     3.803708 
1 1 1 16  1   25 o 25.496  2.0183  89.510    13.536    85.264    18.956    93.929    19.336    24.860  2.9013  26.132  2.8065  -1.271400      4.036580 
1 1 1 16  1   26 o 37.852  1.9546  196.422   19.666    202.965   27.665    189.737   27.962    38.513  2.6989  37.192  2.8281  1.321442       3.909274 
1 1 1 16  1   27 o 30.513  3.7829  131.288   30.254    0.0000    0.0000    131.288   30.254    ?       ?       30.513  3.7829  ?              ?        
1 1 1 16  1   28 o 26.911  2.1006  100.830   14.882    96.831    20.844    104.988   21.253    26.348  3.0075  27.473  2.9335  -1.125334      4.201236 
1 1 1 16  1   29 o 42.583  2.0267  251.688   22.975    254.270   32.241    249.025   32.748    42.826  2.8265  42.340  2.9052  0.4861984      4.053336 
1 1 1 16  1   30 o 25.248  2.2511  90.587    14.870    86.170    20.912    95.105    21.150    24.584  3.2559  25.911  3.1095  -1.326729      4.502208 
1 1 1 16  1   31 o 33.864  2.0800  161.935   18.670    155.333   26.107    168.844   26.709    33.135  2.9732  34.594  2.9095  -1.458427      4.159961 
1 1 1 16  1   32 o 6.6992  2.1731  -7.9677   8.8828    -11.6296  12.189    -3.8203   12.972    6.1347  2.8866  7.2638  3.2491  -1.129116      4.346182 
1 1 1 16  1   33 o 20.889  2.6353  66.152    14.144    72.117    19.636    59.721    20.389    22.065  3.4343  19.713  3.9982  2.351622       5.270680 
1 1 1 16  1   34 f 19.711  3.9236  59.955    19.987    59.955    19.987    0.0000    0.0000    19.711  3.9236  ?       ?       ?              ?        
1 1 1 16  1   35 o 25.282  2.4407  95.947    16.063    100.420   22.514    91.310    22.923    25.996  3.3084  24.569  3.5893  1.427299       4.881432 
1 1 1 16  1   36 o 30.285  2.3663  138.125   18.860    141.920   26.527    134.245   26.821    30.786  3.2669  29.785  3.4242  1.000551       4.732573 
1 1 1 16  1   37 o 15.496  3.8663  42.186    17.354    55.752    39.846    39.011    19.278    16.013  6.3117  14.980  4.4673  1.033308       7.732671 
1 1 1 16  2   0  o 115.363 2.5365  1786.34   78.369    1815.85   110.835   1756.84   110.827   116.318 3.5575  114.408 3.6166  1.910004       5.072985 
1 1 1 16  2   1  o 58.046  1.7749  451.770   27.586    466.801   39.112    436.889   38.915    59.007  2.4746  57.084  2.5452  1.923542       3.549881 
1 1 1 16  2   2  o 149.903 3.1014  3019.63   124.524   2989.91   175.666   3049.66   176.545   149.160 4.3969  150.646 4.3753  -1.485535      6.202899 
1 1 1 16  2   3  o 147.176 3.0093  2910.47   118.629   2891.69   167.258   2929.47   168.281   146.699 4.2567  147.654 4.2550  -0.9554138     6.018691 
1 1 1 16  2   4  o 86.629  2.1708  1006.73   50.354    972.333   70.798    1041.94   71.631    85.130  3.1049  88.128  3.0346  -2.997963      4.341570 
1 1 1 16  2   5  o 153.990 4.7168  3239.35   191.768   3752.65   268.360   2703.72   274.135   166.806 6.0064  141.175 7.2744  25.63123       9.433663 
1 1 1 16  2   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  2   7  o 99.116  2.3670  1318.78   62.838    1310.53   88.987    1327.00   88.748    98.806  3.3624  99.427  3.3325  -0.6210709     4.734041 
1 1 1 16  2   8  o 90.783  2.2708  1106.17   55.216    1110.80   78.243    1101.56   77.933    90.973  3.2110  90.594  3.2117  0.3791428      4.541538 
1 1 1 16  2   9  o 25.551  1.8928  88.780    12.715    81.866    18.137    95.462    17.830    24.544  2.8095  26.559  2.5373  -2.015478      3.785610 
1 1 1 16  2   10 o 44.208  1.8052  263.117   21.270    253.156   30.127    273.018   30.035    43.366  2.6058  45.050  2.4990  -1.683617      3.610370 
1 1 1 16  2   11 o 70.788  2.0212  672.568   38.305    696.955   54.252    648.324   54.092    72.070  2.8104  69.506  2.9055  2.564453       4.042325 
1 1 1 16  2   12 o 53.100  1.8258  378.288   25.967    375.204   36.751    381.363   36.695    52.883  2.5945  53.316  2.5695  -0.4331856     3.651585 
1 1 1 16  2   13 o 104.785 2.4906  1475.98   69.892    1502.30   98.818    1449.63   98.867    105.723 3.4896  103.846 3.5545  1.877121       4.981117 
1 1 1 16  2   14 o 63.606  1.9217  543.312   32.732    554.566   46.136    531.906   46.445    64.271  2.6800  62.940  2.7550  1.331093       3.843467 
1 1 1 16  2   15 o 32.564  1.7829  143.223   15.429    142.761   21.739    143.693   21.903    32.511  2.5160  32.617  2.5269  -0.1053352     3.565847 
1 1 1 16  2   16 o 70.241  1.9993  663.248   37.613    653.309   53.018    673.319   53.370    69.710  2.8395  70.772  2.8155  -1.061768      3.998689 
1 1 1 16  2   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  2   18 o 60.356  1.9136  490.243   30.930    476.770   43.423    504.118   44.067    59.513  2.7241  61.200  2.6883  -1.687134      3.827196 
1 1 1 16  2   19 o 71.992  2.0602  699.136   39.722    702.439   55.877    695.761   56.479    72.168  2.8907  71.816  2.9362  0.3518524      4.120317 
1 1 1 16  2   20 o 36.896  1.8630  185.393   18.162    208.479   25.615    162.054   25.755    39.258  2.4482  34.533  2.8088  4.725029       3.726010 
1 1 1 16  2   21 o 47.691  1.8746  308.572   23.817    324.192   33.488    292.583   33.880    48.935  2.5638  46.446  2.7355  2.489090       3.749121 
1 1 1 16  2   22 o 21.886  2.0799  66.200    11.855    69.947    16.625    62.323    16.910    22.554  2.8131  21.217  3.0644  1.337645       4.159791 
1 1 1 16  2   23 o 47.211  1.9077  303.025   24.019    297.662   33.597    308.631   34.353    46.784  2.6924  47.638  2.7034  -0.8539963     3.815433 
1 1 1 16  2   24 o 40.445  1.8815  223.010   20.263    226.792   28.493    219.140   28.822    40.804  2.6209  40.087  2.7001  0.7175865      3.762922 
1 1 1 16  2   25 o 36.257  1.9420  179.945   18.716    181.624   26.295    178.222   26.644    36.439  2.7136  36.076  2.7788  0.3631554      3.883977 
1 1 1 16  2   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  2   27 o 34.268  2.0032  162.422   18.152    177.458   25.658    147.355   25.683    35.920  2.6863  32.616  2.9725  3.303951       4.006436 
1 1 1 16  2   28 o 53.519  2.0330  395.890   29.029    383.835   40.738    408.326   41.376    52.675  2.8985  54.362  2.8515  -1.686680      4.066035 
1 1 1 16  2   29 o 31.007  2.1357  135.371   17.337    155.956   24.658    115.247   24.380    33.474  2.7752  28.540  3.2471  4.934385       4.271471 
1 1 1 16  2   30 o 32.639  2.1007  150.491   18.106    156.176   25.012    144.233   26.243    33.370  2.8249  31.909  3.1101  1.461164       4.201467 
1 1 1 16  2   31 o 13.048  2.8306  25.236    10.902    29.593    15.752    21.231    15.104    13.982  4.0026  12.114  4.0036  1.868301       5.661244 
1 1 1 16  2   32 o 17.727  2.6877  49.613    12.996    75.826    18.274    22.794    18.484    22.902  3.0553  12.553  4.4227  10.34911       5.375401 
1 1 1 16  2   33 o 8.3740  2.5065  -0.4044   10.308    -10.9492  14.308    10.973    14.862    6.8274  3.1848  9.9205  3.8712  -3.093132      5.012938 
1 1 1 16  2   34 o 16.008  4.1762  40.646    18.094    0.0000    0.0000    40.646    18.094    ?       ?       16.008  4.1762  ?              ?        
1 1 1 16  2   35 o 18.845  2.8744  57.517    14.433    81.038    20.580    34.747    20.248    23.189  3.4157  14.502  4.6239  8.686377       5.748702 
1 1 1 16  2   36 o 12.206  2.9432  22.157    12.299    35.640    17.890    10.073    16.936    14.588  4.2918  9.8248  4.0286  4.763212       5.886315 
1 1 1 16  3   0  o 230.546 4.4638  7169.68   275.542   7392.35   389.471   6946.53   389.879   234.157 6.2098  226.936 6.4141  7.221237       8.927649 
1 1 1 16  3   1  f 132.939 2.7827  2373.78   99.067    2422.59   139.866   2324.65   140.339   134.315 3.8877  131.563 3.9825  2.751862       5.565485 
1 1 1 16  3   2  o 93.490  2.1882  1172.51   54.792    1154.75   77.170    1190.57   77.808    92.775  3.1055  94.204  3.0837  -1.429070      4.376406 
1 1 1 16  3   3  o 56.224  3.5482  426.027   53.159    426.027   53.159    0.0000    0.0000    56.224  3.5482  ?       ?       ?              ?        
1 1 1 16  3   4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  3   5  o 53.183  1.7901  379.203   25.490    365.002   35.786    393.828   36.316    52.172  2.5609  54.194  2.5018  -2.022583      3.580116 
1 1 1 16  3   6  o 204.677 4.0570  5648.19   222.414   5654.71   314.511   5641.67   314.571   204.796 5.7336  204.558 5.7414  0.2382660      8.114002 
1 1 1 16  3   7  o 60.060  1.9163  483.836   30.824    492.777   43.676    474.963   43.508    60.613  2.6902  59.506  2.7297  1.106976       3.832584 
1 1 1 16  3   8  o 114.080 2.5499  1747.81   77.913    1743.48   110.357   1752.11   110.016   113.938 3.6161  114.221 3.5960  -0.2831345     5.099724 
1 1 1 16  3   9  o 60.864  1.9178  496.915   31.261    507.591   44.372    486.395   44.049    61.514  2.6931  60.215  2.7311  1.299461       3.835601 
1 1 1 16  3   10 o 72.242  2.0770  700.464   40.172    727.138   56.981    674.104   56.644    73.612  2.8900  70.872  2.9840  2.739899       4.154037 
1 1 1 16  3   11 o 48.939  1.8111  322.161   23.656    325.963   33.527    318.392   33.382    49.228  2.5515  48.649  2.5709  0.5782776      3.622105 
1 1 1 16  3   12 o 223.371 4.4033  6756.88   263.439   6690.13   372.468   6823.69   372.651   222.255 6.2567  224.486 6.1976  -2.231247      8.806650 
1 1 1 16  3   13 o 141.636 2.9849  2702.53   113.233   2733.26   160.120   2671.79   160.151   142.447 4.1967  140.826 4.2458  1.620529       5.969820 
1 1 1 16  3   14 o 91.497  2.2766  1125.89   55.782    1150.83   78.835    1100.87   78.941    92.517  3.1813  90.478  3.2574  2.039246       4.553195 
1 1 1 16  3   15 o 20.884  2.1651  61.378    11.277    41.586    15.885    81.484    16.010    17.259  3.5547  24.508  2.4727  -7.249821      4.330189 
1 1 1 16  3   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  3   17 o 55.697  1.8963  417.461   28.288    420.224   39.848    414.653   40.164    55.885  2.6621  55.510  2.7013  0.3755302      3.792625 
1 1 1 16  3   18 o 48.314  1.8629  315.278   24.016    315.389   33.854    315.165   34.076    48.324  2.6254  48.304  2.6437  0.1983261E-01  3.725836 
1 1 1 16  3   19 o 68.144  2.0192  626.779   36.853    619.005   51.777    634.760   52.464    67.716  2.8547  68.572  2.8564  -0.8559647     4.038377 
1 1 1 16  3   20 o 30.109  1.8638  123.316   14.878    123.269   20.900    123.365   21.183    30.106  2.6178  30.112  2.6536  -0.5556107E-02 3.727505 
1 1 1 16  3   21 o 58.848  1.9507  468.505   30.736    450.320   43.024    487.457   43.924    57.677  2.7850  60.020  2.7322  -2.343159      3.901428 
1 1 1 16  3   22 o 47.631  1.9256  308.603   24.446    320.370   34.457    296.677   34.689    48.566  2.6589  46.697  2.7861  1.868305       3.851256 
1 1 1 16  3   23 o 32.626  1.9482  146.373   16.712    166.192   23.517    126.156   23.753    34.938  2.5302  30.315  2.9631  4.622297       3.896397 
1 1 1 16  3   24 o 20.019  2.2648  56.015    11.615    45.266    16.000    67.990    16.887    17.879  3.4661  22.159  2.9161  -4.279291      4.529642 
1 1 1 16  3   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  3   26 o 48.363  1.9792  321.085   25.526    319.737   35.765    322.484   36.443    48.268  2.7781  48.458  2.8199  -0.1898651     3.958492 
1 1 1 16  3   27 o 24.322  2.2101  82.981    14.056    79.448    19.746    86.610    20.014    23.771  3.1810  24.874  3.0690  -1.103157      4.420170 
1 1 1 16  3   28 o 21.815  2.4849  69.117    13.712    50.961    19.259    87.783    19.528    18.619  3.9823  25.011  2.9733  -6.391539      4.969848 
1 1 1 16  3   29 o 28.561  2.1485  115.118   16.181    117.453   22.898    112.789   22.868    28.868  3.0053  28.253  3.0713  0.6151333      4.297071 
1 1 1 16  3   30 o 11.003  2.7565  16.125    10.181    17.304    14.104    14.842    14.713    11.223  3.8687  10.784  3.9276  0.4386330      5.513004 
1 1 1 16  3   31 o 29.478  2.2149  124.820   17.205    118.486   24.055    131.453   24.618    28.672  3.1861  30.284  3.0777  -1.611631      4.429805 
1 1 1 16  3   32 o 34.447  2.1671  170.430   19.768    162.165   27.328    179.501   28.630    33.560  3.0743  35.334  3.0551  -1.774357      4.334167 
1 1 1 16  3   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  3   34 o 18.898  2.8554  56.183    14.032    49.472    19.769    62.997    19.922    17.587  4.2451  20.210  3.8201  -2.623714      5.710855 
1 1 1 16  3   35 o 12.321  2.9973  23.874    11.980    24.938    16.846    22.785    17.040    12.532  4.2297  12.111  4.2480  0.4213724      5.994677 
1 1 1 16  3   36 o 19.985  2.9387  66.551    15.220    72.990    21.410    59.970    21.642    21.221  3.9108  18.748  4.3875  2.472580       5.877425 
1 1 1 16  4   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  4   1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  4   2  o 67.972  1.8930  619.903   34.444    641.981   48.588    597.599   48.836    69.191  2.6218  66.753  2.7314  2.438148       3.786024 
1 1 1 16  4   3  o 92.263  2.2323  1142.39   55.158    1155.56   77.635    1128.96   78.381    92.803  3.1233  91.724  3.1903  1.078339       4.464635 
1 1 1 16  4   4  o 95.499  2.2691  1223.73   58.029    1187.87   81.602    1260.42   82.538    94.082  3.2382  96.916  3.1796  -2.834267      4.538256 
1 1 1 16  4   5  o 199.326 3.9548  5354.42   211.141   5328.97   298.273   5379.98   298.926   198.850 5.6002  199.802 5.5857  -0.9526367     7.909577 
1 1 1 16  4   6  o 110.801 2.5244  1648.49   74.920    1645.51   105.845   1651.49   106.062   110.701 3.5697  110.902 3.5705  -0.2009506     5.048891 
1 1 1 16  4   7  o 59.332  1.9349  472.333   30.738    457.935   43.496    486.697   43.443    58.428  2.7794  60.237  2.6926  -1.809940      3.869710 
1 1 1 16  4   8  o 214.270 4.1722  6196.13   239.448   6163.23   338.782   6228.96   338.480   213.697 5.9188  214.843 5.8820  -1.146774      8.344432 
1 1 1 16  4   9  o 43.149  1.8123  250.693   20.842    243.072   29.527    258.262   29.424    42.489  2.6071  43.809  2.5181  -1.319798      3.624602 
1 1 1 16  4   10 o 160.074 3.3003  3451.04   141.480   3527.46   200.321   3374.98   199.845   161.851 4.6208  158.297 4.7134  3.554199       6.600606 
1 1 1 16  4   11 o 137.050 2.9365  2528.34   107.753   2615.68   152.597   2441.49   152.175   139.422 4.0863  134.679 4.2185  4.743118       5.873081 
1 1 1 16  4   12 o 69.440  2.0105  647.628   37.368    678.812   53.029    616.870   52.665    71.104  2.7844  67.775  2.9011  3.329063       4.021098 
1 1 1 16  4   13 o 47.627  1.8473  305.539   23.467    315.446   33.248    295.703   33.128    48.403  2.5737  46.852  2.6507  1.551224       3.694671 
1 1 1 16  4   14 f 69.996  2.5333  649.162   43.943    629.938   52.701    693.021   79.603    68.456  2.8742  71.536  4.1725  -3.080261      5.066651 
1 1 1 16  4   15 o 45.773  3.4717  283.992   42.247    0.0000    0.0000    283.992   42.247    ?       ?       45.773  3.4717  ?              ?        
1 1 1 16  4   16 o 86.068  2.2294  998.386   51.394    998.863   72.571    997.907   72.794    86.090  3.1472  86.047  3.1584  0.4312134E-01  4.458744 
1 1 1 16  4   17 o 47.288  1.8588  301.966   23.448    295.905   33.008    308.141   33.316    46.805  2.6437  47.771  2.6137  -0.9655647     3.717574 
1 1 1 16  4   18 f 102.437 2.4614  1421.43   67.530    1437.72   95.292    1405.01   95.713    103.036 3.4529  101.839 3.5089  1.197334       4.922849 
1 1 1 16  4   19 o 44.293  1.8616  265.696   21.929    241.642   30.655    290.906   31.383    42.215  2.7257  46.371  2.5363  -4.155766      3.723207 
1 1 1 16  4   20 o 46.789  1.8827  296.855   23.496    294.485   33.059    299.274   33.400    46.600  2.6596  46.977  2.6654  -0.3772850     3.765360 
1 1 1 16  4   21 o 14.601  2.4533  30.212    9.4532    30.902    13.423    29.533    13.316    14.768  3.4549  14.434  3.4840  0.3337193      4.906559 
1 1 1 16  4   22 o 54.880  1.9744  409.921   28.914    432.516   40.633    386.743   41.154    56.480  2.6860  53.280  2.8946  3.199776       3.948805 
1 1 1 16  4   23 o 29.414  1.9939  118.947   15.467    127.935   21.764    109.776   21.984    30.581  2.6842  28.246  2.9493  2.334896       3.987898 
1 1 1 16  4   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  4   25 o 22.056  2.2475  68.500    12.808    74.385    17.766    62.130    18.482    23.136  2.9328  20.977  3.4064  2.158985       4.494970 
1 1 1 16  4   26 o 18.737  2.4365  50.436    11.694    62.493    16.732    38.921    16.351    21.100  3.0490  16.375  3.8012  4.724379       4.872941 
1 1 1 16  4   27 o 19.310  2.5480  54.065    12.574    36.804    17.323    73.286    18.280    15.806  4.0681  22.815  3.0692  -7.009440      5.096009 
1 1 1 16  4   28 o 6.8580  2.1270  -4.0710   7.9318    -13.0624  11.752    3.4525    10.750    5.9029  2.7946  7.8131  3.2073  -1.910211      4.253998 
1 1 1 16  4   29 f 25.093  2.2685  90.119    14.862    96.632    21.094    83.700    20.944    26.066  3.0809  24.120  3.3306  1.945755       4.537044 
1 1 1 16  4   30 o 15.461  2.8081  36.629    11.928    27.292    17.108    45.462    16.640    13.478  4.2452  17.445  3.6771  -3.967028      5.616287 
1 1 1 16  4   31 o 27.967  2.3455  114.105   17.119    125.509   24.112    102.513   24.310    29.536  3.0938  26.399  3.5261  3.136726       4.690957 
1 1 1 16  4   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  4   33 o 15.353  3.0098  37.048    12.971    29.028    17.737    46.268    19.017    13.601  4.3267  17.106  4.1850  -3.504850      6.019546 
1 1 1 16  4   34 o 13.513  2.9564  28.900    12.364    18.068    17.631    39.382    17.344    11.363  4.2702  15.664  4.0898  -4.300780      5.912732 
1 1 1 16  4   35 o 19.436  2.8882  61.730    14.609    75.966    21.009    48.402    20.328    21.987  3.6987  16.884  4.4370  5.103174       5.776473 
1 1 1 16  5   0  o 280.430 5.3522  10643.93  401.971   10438.59  567.760   10850.31  569.189   277.693 7.6333  283.167 7.5045  -5.473907      10.70444 
1 1 1 16  5   1  o 116.728 2.5608  1830.29   80.013    1898.19   112.856   1761.65   113.458   118.913 3.5433  114.544 3.6981  4.368637       5.121586 
1 1 1 16  5   2  o 46.546  1.7498  291.362   21.706    316.265   30.770    266.693   30.625    48.569  2.3652  44.522  2.5792  4.047462       3.499504 
1 1 1 16  5   3  o 196.184 3.8628  5186.78   202.868   5373.19   286.483   4999.27   287.316   199.744 5.3547  192.625 5.5688  7.119156       7.725535 
1 1 1 16  5   4  o 85.981  2.1656  991.810   49.871    976.154   70.140    1007.82   70.922    85.295  3.0701  86.668  3.0552  -1.373085      4.331235 
1 1 1 16  5   5  o 143.993 3.0435  2787.23   117.381   2770.47   165.647   2804.13   166.358   143.558 4.3079  144.429 4.3003  -0.8704224     6.086942 
1 1 1 16  5   6  o 147.090 3.0899  2909.20   121.733   2878.20   172.033   2940.28   172.280   146.303 4.3900  147.878 4.3495  -1.574951      6.179882 
1 1 1 16  5   7  o 64.885  1.9939  564.844   34.651    571.859   49.020    557.838   48.987    65.289  2.8032  64.482  2.8363  0.8066940      3.987783 
1 1 1 16  5   8  o 228.684 4.4333  7070.14   271.465   6865.07   383.899   7275.23   383.919   225.336 6.3606  232.032 6.1774  -6.696182      8.866625 
1 1 1 16  5   9  o 46.102  1.8399  286.312   22.597    270.287   32.008    302.235   31.906    44.803  2.6795  47.400  2.5222  -2.596344      3.679819 
1 1 1 16  5   10 o 149.745 3.1600  3020.25   126.745   3010.65   179.406   3029.82   179.084   149.505 4.4801  149.985 4.4578  -0.4792938     6.320093 
1 1 1 16  5   11 o 105.109 2.5416  1485.92   71.543    1521.48   101.389   1450.66   100.968   106.366 3.5587  103.853 3.6297  2.513901       5.083276 
1 1 1 16  5   12 o 204.245 4.0799  5658.36   223.174   5754.63   315.791   5562.30   315.441   206.002 5.7232  202.489 5.8161  3.512680       8.159761 
1 1 1 16  5   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  5   14 o 94.270  2.3495  1197.11   59.324    1191.97   83.877    1202.26   83.918    94.067  3.3290  94.474  3.3163  -0.4074402     4.698952 
1 1 1 16  5   15 o 165.435 3.4543  3720.47   153.064   3711.82   216.311   3729.14   216.620   165.241 4.8873  165.628 4.8829  -0.3872681     6.908586 
1 1 1 16  5   16 o 55.945  1.9202  421.580   28.768    431.431   40.648    411.695   40.719    56.604  2.6810  55.286  2.7498  1.317612       3.840468 
1 1 1 16  5   17 o 114.623 2.6410  1782.05   81.082    1790.95   114.535   1773.11   114.801   114.915 3.7211  114.330 3.7488  0.5846252      5.282077 
1 1 1 16  5   18 o 79.590  2.1578  857.010   45.993    836.641   64.873    877.596   65.217    78.632  3.0802  80.549  3.0228  -1.916817      4.315688 
1 1 1 16  5   19 o 43.741  1.8695  259.446   21.798    254.526   30.725    264.432   30.931    43.319  2.6609  44.164  2.6267  -0.8449173     3.738940 
1 1 1 16  5   20 o 37.785  1.8789  194.467   18.846    209.005   26.584    179.781   26.719    39.238  2.5432  36.333  2.7664  2.905376       3.757738 
1 1 1 16  5   21 o 66.135  2.0640  594.034   36.560    595.171   51.463    592.875   51.948    66.205  2.9021  66.066  2.9356  0.1383362      4.128004 
1 1 1 16  5   22 o 19.715  2.2564  54.336    11.499    53.718    16.542    54.914    15.996    19.585  3.2685  19.845  3.1117  -0.2597771     4.512787 
1 1 1 16  5   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  5   24 o 11.891  2.6168  19.515    9.2661    16.991    13.112    22.034    13.097    11.288  3.7302  12.495  3.6710  -1.207534      5.233556 
1 1 1 16  5   25 o 22.855  2.2867  74.321    13.284    91.267    18.789    57.384    18.785    25.675  2.7763  20.035  3.6343  5.639536       4.573407 
1 1 1 16  5   26 o 38.800  2.0252  208.589   20.881    213.961   29.215    202.979   29.855    39.346  2.7903  38.254  2.9361  1.091305       4.050494 
1 1 1 16  5   27 o 11.396  2.4027  15.272    9.8067    -5.2323   14.262    33.661    13.506    7.5754  3.3964  15.217  3.3995  -7.641289      4.805422 
1 1 1 16  5   28 o 9.7722  2.5357  9.8207    9.3702    0.0896    13.529    18.792    12.990    8.0276  3.4609  11.517  3.7069  -3.489126      5.071424 
1 1 1 16  5   29 o 18.818  2.6358  52.645    12.816    51.063    18.079    54.244    18.170    18.505  3.7754  19.132  3.6793  -0.6275520     5.271646 
1 1 1 16  5   30 o 29.536  2.2633  125.675   17.318    100.943   23.938    152.834   25.085    26.267  3.4887  32.805  2.8842  -6.538481      4.526548 
1 1 1 16  5   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  5   32 o 32.784  2.2647  156.497   19.581    167.895   27.729    145.163   27.653    34.087  3.0701  31.480  3.3302  2.607233       4.529384 
1 1 1 16  5   33 o 21.630  2.7345  72.244    15.259    70.657    21.595    73.826    21.564    21.349  3.9210  21.911  3.8127  -0.5622368     5.469090 
1 1 1 16  5   34 o 6.9636  2.2750  -9.3743   10.050    -1.8997   14.711    -15.9162  13.762    7.7962  3.4756  6.1310  2.9364  1.665260       4.549949 
1 1 1 16  6   0  o 125.315 2.7196  2108.90   91.282    2083.80   128.693   2134.32   129.495   124.563 3.8572  126.066 3.8350  -1.502953      5.439267 
1 1 1 16  6   1  o 216.319 4.1786  6313.06   241.876   6624.70   341.747   6000.27   342.383   221.709 5.7548  210.929 6.0602  10.77985       8.357272 
1 1 1 16  6   2  o 99.486  2.3602  1329.70   62.813    1401.87   88.622    1256.85   89.042    102.208 3.2372  96.764  3.4355  5.443466       4.720392 
1 1 1 16  6   3  o 51.822  1.8349  360.640   25.423    363.557   35.753    357.656   36.157    52.068  2.5636  51.576  2.6260  0.4926109      3.669844 
1 1 1 16  6   4  o 99.448  2.3516  1327.35   62.625    1290.37   88.123    1365.08   89.014    98.046  3.3556  100.849 3.2953  -2.802750      4.703102 
1 1 1 16  6   5  o 92.348  2.2899  1144.65   56.641    1142.48   79.831    1146.84   80.377    92.261  3.2305  92.436  3.2464  -0.1748352     4.579839 
1 1 1 16  6   6  o 111.272 2.5784  1663.17   76.844    1680.24   108.604   1646.06   108.743   111.846 3.6253  110.699 3.6675  1.147087       5.156839 
1 1 1 16  6   7  o 197.518 3.9642  5264.38   209.709   5188.20   296.536   5340.59   296.610   196.078 5.6462  198.958 5.5659  -2.880081      7.928379 
1 1 1 16  6   8  o 97.300  2.3491  1271.57   61.222    1271.05   86.671    1272.08   86.493    97.280  3.3263  97.320  3.3181  -0.4033661E-01 4.698274 
1 1 1 16  6   9  o 45.540  1.8682  279.243   22.690    279.361   32.140    279.126   32.037    45.549  2.6458  45.531  2.6383  0.1845169E-01  3.736398 
1 1 1 16  6   10 o 92.369  2.3139  1146.74   57.243    1165.11   81.115    1128.53   80.794    93.108  3.2526  91.630  3.2919  1.477249       4.627744 
1 1 1 16  6   11 o 76.689  2.1390  790.467   43.936    787.565   62.305    793.338   61.967    76.548  3.0388  76.831  3.0112  -0.2825165     4.278009 
1 1 1 16  6   12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  6   13 o 43.920  1.8796  260.229   22.006    263.801   31.221    256.701   31.023    44.221  2.6480  43.618  2.6682  0.6038628      3.759209 
1 1 1 16  6   14 f 67.626  2.0521  615.893   37.151    640.910   52.632    591.050   52.447    69.002  2.8477  66.251  2.9556  2.751396       4.104277 
1 1 1 16  6   15 o 54.046  1.9042  393.825   27.520    391.183   38.948    396.460   38.890    53.830  2.7100  54.263  2.6758  -0.4329338     3.808388 
1 1 1 16  6   16 o 30.453  1.8659  125.922   15.065    128.701   21.276    123.128   21.335    30.798  2.6036  30.108  2.6734  0.6899738      3.731756 
1 1 1 16  6   17 o 87.336  2.2654  1032.86   52.989    1048.67   74.919    1017.04   74.956    88.012  3.1780  86.660  3.2293  1.352470       4.530774 
1 1 1 16  6   18 o 45.704  1.8905  283.203   23.041    285.056   32.589    281.350   32.582    45.856  2.6648  45.552  2.6822  0.3036270      3.780922 
1 1 1 16  6   19 o 85.797  2.2717  1000.54   52.198    1016.77   73.699    984.204   73.939    86.508  3.1807  85.086  3.2443  1.421417       4.543372 
1 1 1 16  6   20 o 62.087  2.0357  523.485   33.822    547.657   47.728    499.104   47.935    63.548  2.8040  60.625  2.9520  2.923229       4.071436 
1 1 1 16  6   21 o 12.779  2.6075  22.825    9.4504    20.077    13.159    25.752    13.581    12.077  3.7101  13.482  3.6648  -1.404768      5.214919 
1 1 1 16  6   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  6   23 o 41.545  1.9608  236.466   21.688    240.699   30.531    232.154   30.815    41.935  2.7331  41.155  2.8123  0.7800980      3.921558 
1 1 1 16  6   24 o 45.542  1.9884  284.918   24.121    271.690   33.824    298.606   34.408    44.444  2.8565  46.639  2.7667  -2.194859      3.976711 
1 1 1 16  6   25 o 20.169  2.4425  58.096    12.710    60.607    17.883    55.533    18.069    20.655  3.3469  19.683  3.5584  0.9727821      4.885059 
1 1 1 16  6   26 o 7.2478  2.2523  -2.5057   8.4394    -4.2482   11.597    -0.5443   12.304    6.8712  3.0729  7.6244  3.2938  -0.7532172     4.504638 
1 1 1 16  6   27 o 14.945  2.6179  33.363    10.932    19.233    15.609    46.969    15.317    11.860  4.0709  18.031  3.2927  -6.171240      5.235876 
1 1 1 16  6   28 o 10.367  2.6583  11.902    10.115    2.5986    14.194    21.499    14.417    8.5453  3.6097  12.188  3.9033  -3.642561      5.316576 
1 1 1 16  6   29 f 11.120  2.7659  16.281    10.617    8.6944    15.430    23.102    14.631    9.7414  3.8991  12.499  3.9241  -2.757525      5.531881 
1 1 1 16  6   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  6   31 o 14.559  3.0030  32.894    12.470    37.379    18.112    28.853    17.194    15.445  4.2462  13.672  4.2477  1.772325       6.006069 
1 1 1 16  6   32 o 15.591  3.0435  38.914    13.159    41.679    18.452    36.053    18.772    16.189  4.2142  14.992  4.3922  1.197101       6.086915 
1 1 1 16  6   33 o 11.818  2.6922  18.645    11.478    -0.7934   16.442    37.124    16.031    8.3741  3.7069  15.263  3.9053  -6.888850      5.384489 
1 1 1 16  7   0  o 91.297  2.2393  1118.81   54.739    1148.77   77.177    1088.48   77.652    92.531  3.1140  90.064  3.2189  2.466736       4.478633 
1 1 1 16  7   1  o 95.564  2.2634  1226.68   57.868    1289.34   81.596    1163.28   82.081    98.027  3.1077  93.101  3.2915  4.926048       4.526792 
1 1 1 16  7   2  o 78.820  2.0606  833.513   43.497    843.201   61.313    823.696   61.718    79.282  2.8873  78.357  2.9406  0.9247513      4.121117 
1 1 1 16  7   3  o 81.330  2.1305  888.134   46.375    922.451   65.312    853.238   65.861    82.919  2.9407  79.741  3.0836  3.178505       4.261003 
1 1 1 16  7   4  o 41.557  1.8243  232.580   20.199    238.794   28.495    226.304   28.636    42.121  2.5376  40.993  2.6217  1.127499       3.648677 
1 1 1 16  7   5  o 152.235 3.2106  3118.43   130.915   3125.15   184.846   3111.67   185.439   152.402 4.5283  152.069 4.5527  0.3328857      6.421252 
1 1 1 16  7   6  o 131.949 2.8498  2341.05   100.717   2341.38   142.194   2340.73   142.677   131.960 4.0230  131.939 4.0373  0.2021790E-01  5.699503 
1 1 1 16  7   7  o 107.062 2.5482  1540.58   73.064    1567.60   103.350   1513.58   103.306   108.004 3.5726  106.120 3.6345  1.883652       5.096340 
1 1 1 16  7   8  o 137.717 2.9756  2553.80   109.757   2523.47   155.270   2584.09   155.170   136.895 4.2346  138.539 4.1816  -1.643921      5.951284 
1 1 1 16  7   9  o 119.587 2.6687  1924.79   85.483    1925.14   121.026   1924.44   120.756   119.597 3.7781  119.577 3.7703  0.2063751E-01  5.337483 
1 1 1 16  7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  7   11 o 79.132  2.1566  842.331   45.703    828.185   64.715    856.407   64.554    78.466  3.0792  79.798  3.0202  -1.332390      4.313143 
1 1 1 16  7   12 o 50.321  1.8836  341.379   25.295    341.332   36.008    341.425   35.542    50.316  2.6815  50.327  2.6459  -0.1125717E-01 3.767120 
1 1 1 16  7   13 f 22.303  2.0078  68.026    11.722    67.888    16.611    68.162    16.544    22.278  2.8489  22.328  2.8299  -0.4921341E-01 4.015545 
1 1 1 16  7   14 o 93.678  2.3323  1185.03   58.522    1188.32   82.844    1181.75   82.681    93.808  3.2971  93.548  3.2997  0.2602310      4.664661 
1 1 1 16  7   15 o 83.236  2.1968  936.052   48.972    918.949   69.204    953.207   69.310    82.468  3.1330  84.003  3.0804  -1.535477      4.393681 
1 1 1 16  7   16 o 80.653  2.2028  880.210   47.586    876.978   67.234    883.454   67.359    80.504  3.1181  80.802  3.1123  -0.2982178     4.405565 
1 1 1 16  7   17 o 15.002  2.3580  31.625    9.3807    43.650    13.629    20.801    12.931    17.723  2.9765  12.280  3.6579  5.442859       4.715937 
1 1 1 16  7   18 o 61.167  2.0033  506.715   32.820    503.507   46.279    509.961   46.552    60.972  2.8338  61.362  2.8324  -0.3898544     4.006571 
1 1 1 16  7   19 f 23.135  2.0810  73.705    12.594    70.193    17.544    77.438    18.090    22.551  2.9773  23.719  2.9082  -1.168623      4.162023 
1 1 1 16  7   20 o 53.404  1.9880  388.298   28.336    384.293   39.976    392.342   40.170    53.124  2.8195  53.684  2.8034  -0.5599060     3.975974 
1 1 1 16  7   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  7   22 o 41.246  1.9578  232.891   21.499    226.481   30.273    239.415   30.538    40.662  2.7965  41.831  2.7407  -1.168266      3.915642 
1 1 1 16  7   23 o 11.620  2.5444  17.424    9.2852    27.994    13.541    8.0442    12.756    13.952  3.5996  9.2885  3.5970  4.663693       5.088801 
1 1 1 16  7   24 o 14.909  2.3928  31.985    10.955    59.338    15.384    3.8512    15.602    20.596  2.8664  9.2226  3.8323  11.37386       4.785633 
1 1 1 16  7   25 o 11.436  2.7491  17.424    10.076    15.339    13.927    19.715    14.598    10.923  3.8398  11.949  3.9353  -1.026607      5.498216 
1 1 1 16  7   26 o 10.279  2.5904  12.484    9.3540    5.6226    13.203    19.399    13.255    8.8449  3.5832  11.713  3.7417  -2.868051      5.180744 
1 1 1 16  7   27 o 18.212  2.6525  49.377    12.503    54.814    17.457    43.651    17.916    19.375  3.4923  17.049  3.9933  2.325888       5.304972 
1 1 1 16  7   28 o 15.484  2.8025  36.308    11.722    31.754    16.452    41.004    16.707    14.468  4.0728  16.499  3.8507  -2.030696      5.604983 
1 1 1 16  7   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  7   30 o 9.9974  2.5935  5.8634    10.640    26.041    15.832    -10.7558  14.368    13.103  4.0768  6.8915  3.2070  6.211846       5.187010 
1 1 1 16  7   31 o 21.907  2.7618  73.489    15.478    90.354    22.330    57.893    21.473    24.655  3.4780  19.158  4.2912  5.497044       5.523699 
1 1 1 16  7   32 o 9.4717  2.6728  5.6556    10.998    19.330    16.174    -6.1037   14.999    11.494  4.1277  7.4493  3.3968  4.044803       5.345630 
1 1 1 16  8   0  o 166.579 3.3840  3733.78   150.955   3809.43   213.014   3657.47   213.955   168.284 4.7258  164.875 4.8448  3.409149       6.767993 
1 1 1 16  8   1  o 262.957 4.9930  9364.70   351.095   9970.92   496.356   8757.66   496.690   271.570 6.8237  254.343 7.2908  17.22774       9.985970 
1 1 1 16  8   2  o 167.634 3.3635  3782.30   150.992   3859.35   213.032   3704.53   214.040   169.360 4.6962  165.908 4.8166  3.451981       6.727086 
1 1 1 16  8   3  o 98.635  2.3361  1306.03   61.716    1290.22   86.869    1322.13   87.696    98.033  3.3083  99.238  3.2992  -1.205582      4.672242 
1 1 1 16  8   4  o 197.655 3.8948  5270.00   206.194   5229.49   291.050   5310.82   292.158   196.890 5.5189  198.420 5.4972  -1.530762      7.789601 
1 1 1 16  8   5  o 65.037  1.9929  567.674   34.707    550.738   48.958    584.786   49.210    64.060  2.8533  66.013  2.7831  -1.953842      3.985889 
1 1 1 16  8   6  o 118.564 2.6821  1890.53   85.171    1912.02   120.281   1868.92   120.619   119.243 3.7659  117.885 3.8201  1.358665       5.364244 
1 1 1 16  8   7  o 59.698  1.9886  478.508   31.797    472.846   44.914    484.196   45.022    59.343  2.8257  60.052  2.7990  -0.7094536     3.977275 
1 1 1 16  8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  8   9  o 107.845 3.6435  1566.31   105.248   0.0000    0.0000    1566.31   105.248   ?       ?       107.845 3.6435  ?              ?        
1 1 1 16  8   10 o 48.922  1.9179  322.689   25.028    329.891   35.406    315.496   35.383    49.473  2.6819  48.371  2.7423  1.101704       3.835728 
1 1 1 16  8   11 o 50.704  1.9217  346.768   26.000    340.202   36.821    353.297   36.717    50.220  2.7478  51.188  2.6874  -0.9679642     3.843501 
1 1 1 16  8   12 o 73.712  2.1058  731.944   41.576    734.054   58.901    729.848   58.694    73.817  2.9791  73.606  2.9771  0.2114716      4.211645 
1 1 1 16  8   13 o 42.075  1.8823  239.380   21.100    235.178   29.909    243.544   29.771    41.701  2.6921  42.448  2.6314  -0.7471886     3.764528 
1 1 1 16  8   14 o 21.148  2.0628  61.654    11.326    56.360    16.116    66.820    15.921    20.202  3.0755  22.093  2.7500  -1.890800      4.125648 
1 1 1 16  8   15 o 99.086  2.4343  1331.71   64.602    1352.61   91.481    1310.91   91.240    99.870  3.4199  98.302  3.4653  1.568001       4.868625 
1 1 1 16  8   16 o 43.680  1.8955  259.110   22.022    240.668   31.185    277.454   31.103    42.101  2.7811  45.259  2.5764  -3.157871      3.791084 
1 1 1 16  8   17 o 10.183  2.3681  12.254    8.1547    2.7817    11.740    21.084    11.335    8.1099  3.3431  12.257  3.3549  -4.146739      4.736233 
1 1 1 16  8   18 o 37.797  1.9408  194.729   19.485    205.991   27.524    183.413   27.589    38.919  2.6561  36.675  2.8304  2.244068       3.881516 
1 1 1 16  8   19 o 19.326  2.2838  52.218    11.404    51.657    16.058    52.788    16.198    19.217  3.2345  19.434  3.2249  -0.2167091     4.567505 
1 1 1 16  8   20 o 43.661  2.8199  260.343   32.801    0.0000    0.0000    260.343   32.801    ?       ?       43.661  2.8199  ?              ?        
1 1 1 16  8   21 o 66.721  2.1341  608.628   38.138    605.676   53.808    611.609   54.064    66.558  3.0182  66.884  3.0179  -0.3253632     4.268177 
1 1 1 16  8   22 f 42.884  1.9904  252.542   22.732    246.514   32.075    258.624   32.222    42.357  2.8436  43.411  2.7859  -1.053970      3.980876 
1 1 1 16  8   23 o 5.7496  1.9024  -9.9379   7.3112    -8.8372   10.476    -10.9829  10.208    5.9196  2.7493  5.5796  2.6303  0.3399520      3.804893 
1 1 1 16  8   24 f 34.194  2.0756  162.668   18.811    170.222   26.704    155.228   26.502    35.014  2.8728  33.374  2.9966  1.639771       4.151167 
1 1 1 16  8   25 o 21.840  2.4379  69.250    13.588    81.726    19.067    56.375    19.370    24.062  3.0253  19.617  3.8238  4.445528       4.875877 
1 1 1 16  8   26 o 21.870  2.4608  69.531    13.882    74.992    19.436    63.844    19.834    22.862  3.2669  20.879  3.6810  1.982046       4.921614 
1 1 1 16  8   27 o 20.854  2.5593  63.966    13.769    64.324    19.180    63.586    19.780    20.952  3.5440  20.756  3.6933  0.1960354      5.118592 
1 1 1 16  8   28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  8   29 f 15.971  2.9091  38.559    13.029    55.482    19.189    24.084    17.746    19.153  3.8735  12.790  4.3412  6.363170       5.818110 
1 1 1 16  8   30 o 11.061  2.9302  15.704    11.884    10.830    17.330    20.031    16.329    10.311  4.1304  11.811  4.1573  -1.499686      5.860363 
1 1 1 16  8   31 o 9.2279  2.6254  5.2417    10.719    -6.3128   15.141    16.852    15.177    7.4851  3.4130  10.971  3.9901  -3.485428      5.250714 
1 1 1 16  9   0  o 192.628 3.8097  5001.27   196.518   5106.60   277.381   4895.12   278.460   194.680 5.3195  190.576 5.4551  4.103622       7.619393 
1 1 1 16  9   1  o 102.753 2.3755  1419.75   65.255    1513.50   91.987    1324.78   92.585    106.182 3.2344  99.323  3.4802  6.858498       4.751062 
1 1 1 16  9   2  o 151.995 3.1529  3109.70   128.308   3197.83   181.016   3020.70   181.897   154.172 4.3835  149.817 4.5329  4.354294       6.305727 
1 1 1 16  9   3  o 37.849  1.8431  193.115   18.564    199.445   26.318    186.846   26.190    38.473  2.5687  37.225  2.6439  1.247471       3.686257 
1 1 1 16  9   4  o 162.558 3.3719  3561.50   146.816   3561.41   207.210   3561.59   208.052   162.558 4.7590  162.558 4.7783  -0.3051758E-04 6.743900 
1 1 1 16  9   5  o 52.211  1.9062  366.901   26.563    374.381   37.579    359.431   37.553    52.747  2.6686  51.675  2.7228  1.071785       3.812457 
1 1 1 16  9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  9   7  o 74.130  3.0243  738.603   60.048    0.0000    0.0000    738.603   60.048    ?       ?       74.130  3.0243  ?              ?        
1 1 1 16  9   8  o 100.348 2.4710  1356.03   66.409    1376.67   93.919    1335.38   93.915    101.116 3.4677  99.579  3.5211  1.536140       4.941972 
1 1 1 16  9   9  o 43.635  1.9108  256.972   22.214    265.455   31.460    248.537   31.372    44.361  2.6599  42.909  2.7440  1.452187       3.821593 
1 1 1 16  9   10 o 40.901  1.8735  225.908   20.414    226.670   29.012    225.160   28.729    40.969  2.6582  40.834  2.6408  0.1349106      3.746999 
1 1 1 16  9   11 o 59.630  2.0132  478.909   32.141    497.055   45.648    461.068   45.263    60.755  2.8051  58.505  2.8884  2.250290       4.026341 
1 1 1 16  9   12 o 92.366  2.3641  1153.45   58.459    1115.05   82.801    1191.62   82.548    90.817  3.4039  93.914  3.2816  -3.097397      4.728159 
1 1 1 16  9   13 o 15.844  2.3418  34.958    9.6160    41.335    14.150    29.485    13.108    17.218  3.1855  14.471  3.4335  2.747659       4.683635 
1 1 1 16  9   14 o 40.011  1.9058  217.055   20.304    220.184   28.828    213.975   28.603    40.300  2.6860  39.722  2.7044  0.5781937      3.811674 
1 1 1 16  9   15 o 7.3436  2.1250  2.1532    6.7585    -1.1268   9.6762    5.2777    9.4440    6.7553  2.9196  7.9318  3.0885  -1.176473      4.250050 
1 1 1 16  9   16 f 64.348  2.0792  561.322   35.824    544.202   50.653    578.455   50.673    63.355  2.9849  65.342  2.8953  -1.987034      4.158454 
1 1 1 16  9   17 o 39.513  1.9480  212.515   20.485    216.914   29.085    208.185   28.857    39.925  2.7363  39.102  2.7733  0.8237000      3.895908 
1 1 1 16  9   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  9   19 o 30.902  2.0379  131.005   16.663    137.099   23.786    125.133   23.350    31.625  2.8383  30.180  2.9252  1.444559       4.075891 
1 1 1 16  9   20 o 25.183  2.1908  88.861    14.219    73.039    20.230    104.310   19.989    22.822  3.4142  27.544  2.7461  -4.721531      4.381514 
1 1 1 16  9   21 f 19.890  2.3738  55.924    12.191    55.571    17.476    56.258    17.013    19.809  3.4172  19.970  3.2957  -0.1601410     4.747542 
1 1 1 16  9   22 o 20.211  2.4753  58.603    12.817    48.550    18.138    68.628    18.113    18.322  3.8198  22.100  3.1491  -3.777784      4.950511 
1 1 1 16  9   23 o 63.085  2.1352  550.569   36.066    531.082   50.707    570.521   51.307    61.930  3.0568  64.240  2.9818  -2.309521      4.270327 
1 1 1 16  9   24 o 16.776  2.6670  41.848    12.080    60.215    17.235    24.113    16.936    20.534  3.2412  13.018  4.2364  7.516088       5.334061 
1 1 1 16  9   25 o 9.2397  2.6064  7.2885    9.6773    6.8832    13.046    7.7845    14.430    9.0079  3.5921  9.4716  3.7777  -0.4637318     5.212864 
1 1 1 16  9   26 o 9.6072  2.6701  8.9650    10.057    7.9920    13.940    10.021    14.524    9.3677  3.7203  9.8468  3.8312  -0.4790688     5.340268 
1 1 1 16  9   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  9   28 o 18.338  2.8346  51.786    13.638    38.919    19.403    64.351    19.174    15.810  4.4134  20.866  3.5584  -5.056488      5.669259 
1 1 1 16  9   29 o 23.558  2.6666  83.966    15.926    63.716    22.293    105.073   22.760    20.250  4.2458  26.867  3.2274  -6.617046      5.333220 
1 1 1 16  9   30 o 7.1349  2.2960  -5.8213   9.6296    -6.4250   13.734    -5.2376   13.505    7.1000  3.2425  7.1698  3.2515  -0.6982183E-01 4.591974 
1 1 1 16  10  0  o 180.862 3.5860  4413.57   173.437   4691.97   244.926   4133.58   245.629   186.627 4.8997  175.097 5.2374  11.52992       7.171983 
1 1 1 16  10  1  o 193.262 3.7984  5043.28   196.445   5277.38   277.374   4807.68   278.259   197.801 5.2354  188.723 5.5047  9.078400       7.596786 
1 1 1 16  10  2  o 79.212  2.0984  842.445   44.519    844.722   62.633    840.119   63.292    79.322  2.9480  79.103  2.9872  0.2190018      4.196892 
1 1 1 16  10  3  o 50.090  3.5695  339.043   47.577    339.043   47.577    0.0000    0.0000    50.090  3.5695  ?       ?       ?              ?        
1 1 1 16  10  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  10  5  o 92.725  2.3361  1156.65   57.999    1187.40   81.817    1125.58   82.232    93.971  3.2506  91.480  3.3560  2.490959       4.672159 
1 1 1 16  10  6  o 110.132 2.5845  1633.98   76.195    1564.88   107.411   1703.98   108.104   107.776 3.7208  112.488 3.5879  -4.711418      5.168901 
1 1 1 16  10  7  o 61.878  2.0430  514.828   33.858    505.165   47.697    524.643   48.070    61.291  2.9054  62.464  2.8731  -1.173275      4.086067 
1 1 1 16  10  8  o 84.079  2.2647  952.466   50.967    910.969   71.966    994.223   72.192    82.231  3.2674  85.927  3.1367  -3.695335      4.529316 
1 1 1 16  10  9  o 60.422  2.0013  491.588   32.377    475.838   45.811    507.306   45.764    59.450  2.8769  61.394  2.7830  -1.944721      4.002697 
1 1 1 16  10  10 o 68.497  2.0868  632.465   38.274    653.773   54.318    611.454   53.938    69.649  2.9117  67.346  2.9902  2.303444       4.173604 
1 1 1 16  10  11 o 6.2301  1.9318  -4.4813   6.4494    2.4247    9.4462    -10.5117  8.8270    7.3410  3.0092  5.1191  2.4231  2.221890       3.863533 
1 1 1 16  10  12 o 41.177  1.9415  229.981   21.259    216.218   30.070    243.734   30.059    39.924  2.8303  42.431  2.6583  -2.506424      3.882965 
1 1 1 16  10  13 o 37.911  1.9222  195.635   19.305    176.558   27.389    214.471   27.215    36.032  2.8615  39.789  2.5673  -3.756725      3.844365 
1 1 1 16  10  14 o 45.847  1.9595  285.244   23.950    286.488   33.852    283.998   33.888    45.949  2.7634  45.745  2.7789  0.2041092      3.918999 
1 1 1 16  10  15 o 27.645  2.0077  104.439   14.637    111.312   21.043    97.997    20.373    28.544  2.7879  26.745  2.8899  1.798986       4.015440 
1 1 1 16  10  16 o 42.691  1.9911  248.129   22.608    264.956   32.210    231.790   31.740    44.142  2.7378  41.239  2.8917  2.902905       3.982134 
1 1 1 16  10  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  10  18 o 22.560  2.2794  70.895    13.374    69.910    19.153    71.833    18.683    22.386  3.2926  22.734  3.1530  -0.3479977     4.558809 
1 1 1 16  10  19 o 67.201  2.1460  617.579   38.609    640.654   54.715    594.697   54.487    68.474  2.9833  65.927  3.0856  2.547356       4.291979 
1 1 1 16  10  20 f 20.594  2.3876  59.989    12.670    66.466    17.995    53.622    17.843    21.779  3.1785  19.408  3.5637  2.370537       4.775185 
1 1 1 16  10  21 o 44.651  2.0269  274.789   24.110    270.239   33.980    279.402   34.216    44.271  2.8813  45.031  2.8515  -0.7604256     4.053733 
1 1 1 16  10  22 o 54.316  2.1039  408.760   30.489    403.036   42.973    414.563   43.265    53.925  2.9869  54.707  2.9637  -0.7820015     4.207721 
1 1 1 16  10  23 o 25.358  2.4346  93.246    15.454    65.509    21.658    122.019   22.058    21.142  3.9704  29.574  2.8188  -8.432398      4.869261 
1 1 1 16  10  24 o 39.376  2.1045  217.517   22.025    211.129   30.879    224.132   31.424    38.772  2.9967  39.979  2.9555  -1.206902      4.208908 
1 1 1 16  10  25 o 26.101  2.3530  98.419    15.888    84.232    22.546    112.413   22.392    24.043  3.6126  28.158  3.0159  -4.114199      4.706038 
1 1 1 16  10  26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  10  27 o 23.852  2.5777  83.961    15.848    94.942    22.620    73.372    22.212    25.555  3.3881  22.149  3.8858  3.406086       5.155465 
1 1 1 16  10  28 o 10.691  2.6883  10.630    11.230    28.759    16.132    -6.4168   15.643    13.689  4.0875  7.6935  3.4930  5.995779       5.376651 
1 1 1 16  10  29 o 15.830  3.0808  40.157    13.512    43.586    19.117    36.735    19.099    16.534  4.2826  15.126  4.4300  1.407970       6.161578 
1 1 1 16  11  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  11  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  11  2  o 38.149  1.8662  196.376   18.941    189.292   26.784    203.462   26.790    37.452  2.6878  38.846  2.5896  -1.393566      3.732328 
1 1 1 16  11  3  o 142.208 3.0279  2727.54   115.330   2741.48   162.649   2713.44   163.558   142.579 4.2590  141.837 4.3052  0.7416229      6.055881 
1 1 1 16  11  4  o 123.506 2.7407  2055.92   90.633    1984.99   127.634   2128.06   128.721   121.347 3.9269  125.666 3.8242  -4.318268      5.481339 
1 1 1 16  11  5  o 97.322  2.3975  1276.03   62.462    1320.13   88.091    1231.43   88.581    99.025  3.3212  95.619  3.4587  3.405769       4.795086 
1 1 1 16  11  6  o 50.245  1.9130  340.437   25.647    345.773   36.195    335.058   36.345    50.645  2.6778  49.845  2.7327  0.7999306      3.825988 
1 1 1 16  11  7  o 52.909  1.9638  377.796   27.718    401.468   39.045    353.749   39.354    54.633  2.6682  51.185  2.8822  3.447941       3.927696 
1 1 1 16  11  8  o 96.579  2.3947  1259.23   61.940    1235.45   87.455    1283.16   87.739    95.658  3.4133  97.500  3.3597  -1.841614      4.789364 
1 1 1 16  11  9  o 69.932  2.1178  659.726   39.665    669.454   56.067    649.979   56.124    70.452  2.9712  69.412  3.0187  1.040215       4.235603 
1 1 1 16  11  10 o 31.355  1.9498  133.571   16.162    146.514   23.151    121.268   22.572    32.865  2.6526  29.846  2.8585  3.018707       3.899622 
1 1 1 16  11  11 o 49.977  1.9909  338.349   26.538    330.805   37.536    345.889   37.524    49.412  2.8482  50.542  2.7825  -1.130665      3.981788 
1 1 1 16  11  12 o 43.063  1.9531  251.790   22.335    277.253   31.838    227.120   31.339    45.241  2.6389  40.885  2.8801  4.355701       3.906265 
1 1 1 16  11  13 o 25.493  2.0870  89.055    13.979    91.860    20.190    86.472    19.375    25.880  2.9660  25.106  2.9367  0.7745399      4.173937 
1 1 1 16  11  14 o 13.460  2.5400  25.305    9.6095    34.086    13.729    16.871    13.455    15.535  3.3943  11.385  3.7795  4.150396       5.079947 
1 1 1 16  11  15 o 57.572  3.8859  456.295   59.571    456.295   59.571    0.0000    0.0000    57.572  3.8859  ?       ?       ?              ?        
1 1 1 16  11  16 o 42.556  2.0200  247.130   22.857    263.823   32.532    230.855   32.122    44.003  2.7744  41.108  2.9367  2.895676       4.039940 
1 1 1 16  11  17 o 37.628  2.0166  193.660   20.168    199.327   28.853    188.246   28.202    38.171  2.8424  37.084  2.8613  1.087368       4.033174 
1 1 1 16  11  18 o 58.537  2.0827  468.707   32.593    462.620   46.243    474.716   45.946    58.110  2.9811  58.965  2.9091  -0.8549805     4.165339 
1 1 1 16  11  19 o 8.5296  2.4057  3.3832    8.9585    -7.4829   13.595    11.722    11.910    7.1681  3.2552  9.8911  3.5431  -2.722934      4.811391 
1 1 1 16  11  20 o 21.495  2.4332  65.728    13.376    79.685    19.255    52.709    18.596    23.864  3.0846  19.126  3.7640  4.737776       4.866448 
1 1 1 16  11  21 o 19.306  2.5766  54.021    12.805    47.755    18.271    60.071    17.951    18.088  3.8869  20.523  3.3835  -2.435055      5.153261 
1 1 1 16  11  22 o 42.370  2.1227  251.083   23.867    233.086   33.953    268.663   33.558    40.784  3.1320  43.956  2.8660  -3.171909      4.245382 
1 1 1 16  11  23 o 21.324  2.5418  66.254    13.961    61.218    19.993    71.047    19.503    20.423  3.7946  22.225  3.3830  -1.801685      5.083610 
1 1 1 16  11  24 o 21.069  2.7161  67.692    14.465    88.940    20.130    45.002    20.801    25.002  3.0704  17.137  4.4811  7.865385       5.432122 
1 1 1 16  11  25 o 11.790  4.0600  19.352    15.531    0.0000    0.0000    19.352    15.531    ?       ?       11.790  4.0600  ?              ?        
1 1 1 16  11  26 o 21.053  2.7398  66.163    14.868    69.051    21.587    63.557    20.508    21.489  3.8939  20.617  3.8555  0.8714886      5.479697 
1 1 1 16  11  27 o 9.1729  2.6897  5.5532    10.842    6.4938    15.228    4.5862    15.440    9.2962  3.8169  9.0497  3.7906  0.2465124      5.379329 
1 1 1 16  11  28 o 13.602  3.0182  28.932    12.257    30.722    17.355    27.151    17.314    13.974  4.2548  13.231  4.2817  0.7429953      6.036306 
1 1 1 16  12  0  o 152.363 3.1586  3134.18   128.782   3278.08   181.720   2988.99   182.533   155.908 4.3516  148.819 4.5793  7.088791       6.317109 
1 1 1 16  12  1  o 113.733 2.5693  1742.36   78.224    1800.96   110.266   1683.00   110.987   115.671 3.5590  111.795 3.7065  3.876022       5.138508 
1 1 1 16  12  2  o 68.661  2.0246  633.746   37.226    646.584   52.507    620.772   52.785    69.363  2.8262  67.958  2.8999  1.404877       4.049252 
1 1 1 16  12  3  o 62.308  1.9767  521.897   32.979    505.420   46.458    538.635   46.824    61.314  2.8288  63.303  2.7616  -1.988361      3.953317 
1 1 1 16  12  4  o 60.050  1.9512  484.898   31.383    477.986   44.268    491.881   44.497    59.619  2.7721  60.482  2.7468  -0.8625946     3.902488 
1 1 1 16  12  5  o 45.879  1.8796  284.026   22.998    282.529   32.513    285.526   32.535    45.756  2.6644  46.001  2.6518  -0.2445717     3.759143 
1 1 1 16  12  6  o 97.674  2.4482  1288.43   64.028    1322.31   90.371    1254.29   90.727    98.976  3.4089  96.373  3.5148  2.603195       4.896322 
1 1 1 16  12  7  o 73.484  2.1315  728.265   41.952    731.907   59.255    724.605   59.404    73.670  3.0029  73.298  3.0258  0.3722839      4.262952 
1 1 1 16  12  8  o 60.589  2.0250  495.216   32.848    477.500   46.336    513.116   46.575    59.492  2.9078  61.685  2.8189  -2.192440      4.049901 
1 1 1 16  12  9  o 29.974  1.9715  122.256   15.646    121.742   22.001    122.782   22.255    29.911  2.7778  30.036  2.7985  -0.1249218     3.943063 
1 1 1 16  12  10 o 23.106  2.0942  73.356    12.658    74.981    17.834    71.706    17.969    23.378  2.9111  22.835  3.0114  0.5433769      4.188421 
1 1 1 16  12  11 o 25.783  2.0400  90.986    13.844    92.242    19.790    89.782    19.375    25.957  2.8958  25.609  2.8742  0.3484058      4.080041 
1 1 1 16  12  12 o 54.153  2.0332  398.100   29.380    407.471   41.662    388.831   41.437    54.795  2.8485  53.511  2.9019  1.284824       4.066315 
1 1 1 16  12  13 o 14.123  2.6037  28.300    10.184    36.275    14.264    20.009    14.544    16.027  3.4265  12.218  3.9213  3.809364       5.207452 
1 1 1 16  12  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  12  15 o 40.947  2.0141  228.831   21.949    234.201   31.260    223.609   30.826    41.426  2.8343  40.467  2.8625  0.9594841      4.028267 
1 1 1 16  12  16 o 22.911  2.2549  73.012    13.459    74.541    19.299    71.564    18.781    23.146  3.1983  22.676  3.1796  0.4703999      4.509871 
1 1 1 16  12  17 o 21.803  2.3635  66.724    13.360    65.932    19.005    67.499    18.785    21.659  3.3869  21.946  3.2976  -0.2869492     4.727045 
1 1 1 16  12  18 o 22.329  2.4456  70.978    14.007    60.611    20.068    80.825    19.559    20.588  3.7784  24.070  3.1062  -3.481836      4.891290 
1 1 1 16  12  19 o 30.428  2.1605  128.737   17.366    132.663   24.806    124.963   24.318    30.894  3.0370  29.962  3.0737  0.9313087      4.321013 
1 1 1 16  12  20 o 6.9254  2.1440  -4.5016   8.0079    -12.9138  11.387    3.7293    11.264    5.8074  2.7498  8.0435  3.2903  -2.236145      4.288076 
1 1 1 16  12  21 o 32.081  2.1899  144.646   18.546    154.401   26.283    134.973   26.172    33.220  2.9858  30.943  3.2042  2.276712       4.379710 
1 1 1 16  12  22 o 20.063  2.6619  59.420    13.728    51.441    19.679    66.983    19.159    18.576  4.0679  21.551  3.4344  -2.974279      5.323766 
1 1 1 16  12  23 o 20.825  3.9210  64.268    21.069    64.268    21.069    0.0000    0.0000    20.825  3.9210  ?       ?       ?              ?        
1 1 1 16  12  24 o 13.687  2.9682  27.981    11.920    27.340    17.088    28.589    16.636    13.557  4.2384  13.817  4.1565  -0.2599211     5.936382 
1 1 1 16  12  25 o 23.077  2.7125  79.054    16.041    94.352    23.175    64.984    22.225    25.449  3.4918  20.705  4.1520  4.743757       5.425089 
1 1 1 16  12  26 o 16.022  3.0513  39.746    13.625    30.132    18.844    50.278    19.722    13.999  4.4604  18.045  4.1650  -4.045749      6.102593 
1 1 1 16  12  27 o 10.706  2.9053  13.180    11.839    20.293    17.561    7.2535    16.029    11.915  4.2984  9.4981  3.9098  2.416741       5.810565 
1 1 1 16  13  0  o 74.919  2.0715  755.192   41.531    791.278   58.681    718.976   58.786    76.721  2.8556  73.117  3.0017  3.603531       4.142986 
1 1 1 16  13  1  o 75.650  2.0995  770.546   42.493    810.372   59.957    730.353   60.232    77.625  2.8837  73.674  3.0523  3.950623       4.199051 
1 1 1 16  13  2  o 39.571  1.8632  211.479   19.610    225.104   27.908    198.190   27.561    40.844  2.5640  38.297  2.7042  2.546818       3.726493 
1 1 1 16  13  3  o 49.510  1.8930  330.689   25.008    335.747   35.392    325.644   35.341    49.892  2.6580  49.128  2.6960  0.7635612      3.785932 
1 1 1 16  13  4  o 93.555  2.3278  1180.86   58.319    1149.77   82.186    1212.39   82.769    92.308  3.3241  94.802  3.2596  -2.493759      4.655563 
1 1 1 16  13  5  o 40.730  1.8884  224.380   20.463    211.028   28.783    238.026   29.098    39.489  2.7382  41.970  2.6012  -2.481148      3.776766 
1 1 1 16  13  6  o 43.413  1.9182  255.098   22.166    240.301   31.264    270.054   31.431    42.129  2.7863  44.696  2.6371  -2.566616      3.836415 
1 1 1 16  13  7  o 63.476  2.0587  543.928   35.000    536.981   49.309    550.983   49.689    63.066  2.9190  63.886  2.9038  -0.8196487     4.117378 
1 1 1 16  13  8  o 32.734  1.9584  145.645   17.008    144.282   23.849    147.054   24.261    32.579  2.7590  32.889  2.7801  -0.3098259     3.916736 
1 1 1 16  13  9  o 77.853  2.2341  821.157   46.578    799.923   65.771    842.521   65.972    76.833  3.1959  78.873  3.1228  -2.040062      4.468274 
1 1 1 16  13  10 f 22.279  2.2005  68.679    12.739    64.883    18.269    72.272    17.772    21.637  3.2530  22.920  2.9644  -1.283020      4.401074 
1 1 1 16  13  11 o 35.807  2.0096  174.692   19.111    171.749   27.147    177.583   26.908    35.498  2.8800  36.116  2.8035  -0.6179199     4.019215 
1 1 1 16  13  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  13  13 f 20.098  2.3638  56.499    12.270    56.260    17.658    56.722    17.063    20.040  3.4119  20.157  3.2726  -0.1170731     4.727695 
1 1 1 16  13  14 o 51.117  2.0608  356.603   28.098    358.880   39.725    354.324   39.748    51.285  2.9039  50.950  2.9249  0.3345947      4.121593 
1 1 1 16  13  15 o 23.917  2.2922  79.834    14.260    74.771    20.418    84.655    19.926    23.119  3.3988  24.715  3.0765  -1.596823      4.584380 
1 1 1 16  13  16 f 19.033  2.5801  51.827    12.652    46.082    18.044    57.382    17.745    17.904  3.8752  20.162  3.4073  -2.258152      5.160123 
1 1 1 16  13  17 o 59.992  2.1905  496.252   35.057    463.742   49.696    528.454   49.460    57.932  3.2153  62.053  2.9758  -4.121128      4.381058 
1 1 1 16  13  18 o 16.361  2.7573  39.109    11.931    35.633    17.131    42.382    16.626    15.616  4.0585  17.106  3.7336  -1.490090      5.514660 
1 1 1 16  13  19 f 10.339  2.6844  12.413    9.8604    8.6829    14.260    15.831    13.650    9.6771  3.7876  11.001  3.8051  -1.324213      5.368865 
1 1 1 16  13  20 o 24.083  2.4661  82.837    15.408    90.737    22.371    75.707    21.252    25.229  3.3969  22.936  3.5759  2.292440       4.932115 
1 1 1 16  13  21 o 47.137  2.1594  311.746   27.112    309.220   38.606    314.204   38.083    46.924  3.0890  47.351  3.0185  -0.4272461     4.318888 
1 1 1 16  13  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  13  23 f 10.611  2.7985  12.796    10.922    19.203    15.599    6.6348    15.298    11.788  4.0682  9.4345  3.8441  2.353570       5.597084 
1 1 1 16  13  24 o 23.569  2.6597  82.152    16.198    87.316    22.870    76.955    22.944    24.412  3.6063  22.726  3.9104  1.685625       5.319426 
1 1 1 16  13  25 o 17.932  3.0764  49.870    14.598    54.695    21.599    45.812    19.807    18.722  4.3844  17.141  4.3166  1.580545       6.152732 
1 1 1 16  13  26 o 6.0594  2.0483  -16.1087  9.3898    -18.9500  13.155    -13.1578  13.407    5.7783  2.7932  6.3405  2.9967  -0.5621891     4.096600 
1 1 1 16  14  0  o 112.454 2.5417  1708.33   76.457    1802.62   107.880   1613.17   108.375   115.601 3.4841  109.308 3.7016  6.293640       5.083375 
1 1 1 16  14  1  o 40.227  1.8619  218.591   19.950    220.372   28.372    216.848   28.058    40.389  2.6371  40.065  2.6292  0.3244209      3.723829 
1 1 1 16  14  2  o 11.439  2.4656  17.530    8.3159    21.311    11.973    14.006    11.559    12.389  3.4699  10.489  3.5039  1.900490       4.931248 
1 1 1 16  14  3  o 14.422  2.3797  29.368    9.0688    34.086    12.692    24.448    12.963    15.619  3.1427  13.226  3.5743  2.393450       4.759377 
1 1 1 16  14  4  o 37.374  1.9047  189.191   18.939    189.944   26.789    188.439   26.780    37.449  2.6886  37.299  2.6988  0.1508102      3.809439 
1 1 1 16  14  5  o 78.935  2.1938  841.969   46.379    827.718   65.306    856.470   65.877    78.258  3.1155  79.612  3.0893  -1.353676      4.387556 
1 1 1 16  14  6  o 23.913  2.0676  78.396    12.942    84.009    18.432    72.938    18.176    24.787  2.8268  23.038  3.0181  1.748791       4.135205 
1 1 1 16  14  7  o 71.726  2.1640  696.248   41.574    697.862   58.676    694.621   58.913    71.812  3.0505  71.640  3.0702  0.1717300      4.328050 
1 1 1 16  14  8  o 40.369  1.9656  221.604   21.079    237.401   29.796    205.778   29.823    41.839  2.6727  38.900  2.8829  2.939610       3.931218 
1 1 1 16  14  9  o 49.782  2.0014  336.446   26.567    324.524   37.435    348.543   37.709    48.881  2.8718  50.684  2.7884  -1.802254      4.002851 
1 1 1 16  14  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  14  11 o 46.309  2.0198  292.016   24.919    302.545   35.263    281.515   35.217    47.159  2.8043  45.459  2.9076  1.700855       4.039575 
1 1 1 16  14  12 o 71.620  2.2084  698.750   42.350    675.990   59.772    721.694   60.013    70.431  3.1684  72.809  3.0773  -2.377594      4.416861 
1 1 1 16  14  13 o 51.183  2.0686  357.889   28.236    351.189   39.982    364.556   39.881    50.692  2.9575  51.673  2.8931  -0.9810677     4.137235 
1 1 1 16  14  14 o 44.353  2.0812  269.984   24.519    247.711   34.582    292.500   34.770    42.462  3.0611  46.244  2.8206  -3.781364      4.162451 
1 1 1 16  14  15 o 39.453  2.1268  214.516   22.218    237.772   31.748    192.194   31.104    41.611  2.8660  37.295  3.1430  4.316040       4.253502 
1 1 1 16  14  16 o 32.525  2.1798  146.804   18.758    144.581   26.697    148.971   26.361    32.263  3.1286  32.787  3.0362  -0.5239296     4.359641 
1 1 1 16  14  17 o 32.352  2.1731  145.729   18.604    146.252   26.451    145.217   26.171    32.405  3.0846  32.299  3.0617  0.1064873      4.346150 
1 1 1 16  14  18 o 17.778  2.7360  46.715    12.710    37.006    18.173    56.010    17.782    15.813  4.2143  19.743  3.4903  -3.929609      5.471985 
1 1 1 16  14  19 o 25.864  2.3907  95.345    16.106    104.349   22.963    86.625    22.597    27.154  3.2200  24.575  3.5347  2.578901       4.781477 
1 1 1 16  14  20 o 15.116  4.3229  34.256    18.383    34.256    18.383    0.0000    0.0000    15.116  4.3229  ?       ?       ?              ?        
1 1 1 16  14  21 o 17.987  3.0139  48.599    14.252    52.835    21.259    45.141    19.207    18.676  4.3335  17.297  4.1899  1.378963       6.027822 
1 1 1 16  14  22 o 30.639  2.3403  134.293   18.900    134.339   26.853    134.249   26.606    30.635  3.3260  30.644  3.2932  -0.8701324E-02 4.680517 
1 1 1 16  14  23 o 10.606  2.8619  11.603    11.662    20.266    16.931    3.7807    16.087    12.070  4.2343  9.1426  3.8515  2.927093       5.723891 
1 1 1 16  14  24 o 9.7786  2.7733  8.0632    11.282    14.239    16.106    2.1143    15.808    10.767  4.0735  8.7905  3.7645  1.976166       5.546593 
1 1 1 16  14  25 o 7.0486  2.2706  -7.4522   9.6882    -15.0034  14.152    -0.7922   13.291    6.4015  3.0412  7.6957  3.3724  -1.294210      4.541104 
1 1 1 16  15  0  o 60.982  1.9572  500.939   31.969    500.648   45.263    501.229   45.158    60.964  2.7719  61.000  2.7638  -0.3639984E-01 3.914388 
1 1 1 16  15  1  o 27.566  1.9523  103.479   14.192    110.807   20.149    96.265    19.993    28.559  2.6648  26.572  2.8539  1.987068       3.904593 
1 1 1 16  15  2  o 32.381  1.9289  142.464   16.540    152.795   23.457    132.246   23.327    33.573  2.6295  31.189  2.8229  2.384394       3.857845 
1 1 1 16  15  3  o 61.402  2.0005  509.011   32.887    523.803   46.368    494.038   46.650    62.309  2.7783  60.496  2.8790  1.812683       4.000958 
1 1 1 16  15  4  o 66.430  2.0733  596.494   36.875    613.405   51.996    579.382   52.304    67.388  2.8807  65.472  2.9826  1.915657       4.146597 
1 1 1 16  15  5  o 51.061  1.9596  353.355   26.683    365.805   37.632    340.767   37.840    51.981  2.7122  50.142  2.8290  1.839447       3.919152 
1 1 1 16  15  6  o 34.568  2.1341  168.011   18.609    220.237   26.133    114.282   26.506    40.339  2.4300  28.798  3.5089  11.54078       4.268192 
1 1 1 16  15  7  o 29.745  2.9295  120.911   23.037    120.911   23.037    0.0000    0.0000    29.745  2.9295  ?       ?       ?              ?        
1 1 1 16  15  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  15  9  o 23.305  2.2019  75.060    13.342    67.081    18.630    83.461    19.116    21.977  3.2640  24.633  2.9564  -2.655035      4.403853 
1 1 1 16  15  10 o 56.582  2.0818  436.104   31.439    441.834   44.426    430.357   44.498    56.963  2.9216  56.202  2.9665  0.7611084      4.163630 
1 1 1 16  15  11 o 16.277  2.6339  37.952    11.370    48.344    16.164    27.773    15.998    18.531  3.3811  14.022  4.0394  4.509692       5.267702 
1 1 1 16  15  12 o 69.144  2.1987  653.596   40.678    618.770   57.471    688.559   57.583    67.261  3.1900  71.027  3.0268  -3.765556      4.397498 
1 1 1 16  15  13 o 11.752  2.5463  16.280    10.057    1.0555    13.988    32.570    14.469    8.4320  3.5738  15.071  3.6280  -6.639077      5.092597 
1 1 1 16  15  14 o 20.478  2.5774  59.748    13.588    66.811    19.411    52.963    19.026    21.751  3.4468  19.204  3.8331  2.547224       5.154848 
1 1 1 16  15  15 o 49.102  2.1241  332.872   27.800    334.020   39.593    331.757   39.043    49.178  3.0204  49.027  2.9875  0.1514778      4.248264 
1 1 1 16  15  16 o 8.0397  2.4193  -4.7580   9.8966    9.5649    14.587    -16.9737  13.471    9.9223  3.8454  6.1570  2.9369  3.765293       4.838599 
1 1 1 16  15  17 o 34.800  2.2016  169.514   20.303    170.265   28.899    168.782   28.530    34.870  3.1275  34.730  3.0996  0.1398201      4.403230 
1 1 1 16  15  18 o 16.054  2.8725  38.532    12.854    52.665    18.102    24.159    18.255    19.000  3.6900  13.108  4.4032  5.891140       5.744958 
1 1 1 16  15  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  15  20 o 12.381  2.9634  20.901    12.056    28.663    16.980    13.010    17.121    13.898  4.2035  10.864  4.1783  3.033605       5.926847 
1 1 1 16  15  21 f 35.904  2.2962  183.546   21.842    184.517   31.045    182.595   30.735    35.993  3.2555  35.815  3.2390  0.1785355      4.592309 
1 1 1 16  15  22 o 15.282  3.1460  35.799    13.789    42.455    19.768    29.493    19.243    16.577  4.3847  13.987  4.5127  2.589514       6.292028 
1 1 1 16  15  23 o 19.342  2.9799  57.867    15.037    66.717    21.485    49.371    21.051    20.963  3.9717  17.720  4.4434  3.243427       5.959778 
1 1 1 16  16  0  o 91.195  2.3112  1125.68   56.412    1169.18   79.503    1081.57   80.057    92.991  3.1919  89.398  3.3434  3.593018       4.622396 
1 1 1 16  16  1  o 18.006  2.3264  45.316    10.791    41.301    15.292    49.299    15.230    17.162  3.4464  18.851  3.1258  -1.689301      4.652806 
1 1 1 16  16  2  o 14.698  2.4892  30.475    9.6734    29.195    13.686    31.753    13.674    14.387  3.5688  15.008  3.4709  -0.6203794     4.978300 
1 1 1 16  16  3  o 53.913  1.9542  393.580   28.124    388.927   39.524    398.353   40.027    53.590  2.7629  54.237  2.7645  -0.6468697     3.908477 
1 1 1 16  16  4  o 23.833  2.1364  78.135    13.313    73.864    18.798    82.432    18.857    23.152  3.1101  24.515  2.9298  -1.363676      4.272767 
1 1 1 16  16  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  16  6  o 44.707  2.6806  280.574   28.460    261.021   52.535    288.696   33.859    43.303  4.5998  46.111  2.7540  -2.807487      5.361245 
1 1 1 16  16  7  o 67.548  2.1339  619.385   38.585    592.768   54.356    646.419   54.780    66.069  3.0716  69.027  2.9629  -2.958267      4.267723 
1 1 1 16  16  8  o 31.692  2.0781  137.758   17.400    129.688   24.816    145.562   24.404    30.742  3.0542  32.641  2.8189  -1.899319      4.156266 
1 1 1 16  16  9  o 63.764  2.1228  553.407   36.249    562.501   51.125    544.213   51.404    64.302  2.9684  63.226  3.0354  1.076385       4.245566 
1 1 1 16  16  10 o 34.948  2.0852  167.622   19.303    156.442   27.181    178.999   27.419    33.738  3.0405  36.158  2.8543  -2.420322      4.170314 
1 1 1 16  16  11 o 29.857  2.1818  123.465   17.065    107.198   23.979    140.158   24.291    27.778  3.2864  31.935  2.8705  -4.156483      4.363507 
1 1 1 16  16  12 o 58.700  2.1644  473.546   33.911    473.068   47.831    474.029   48.086    58.674  3.0541  58.727  3.0677  -0.5310822E-01 4.328726 
1 1 1 16  16  13 f 10.081  2.4595  8.6349    9.5772    -7.6280   13.727    24.058    13.368    7.1866  3.2664  12.975  3.6780  -5.788717      4.919026 
1 1 1 16  16  14 o 22.949  2.4502  74.693    14.588    73.249    20.692    76.121    20.570    22.706  3.5160  23.192  3.4135  -0.4858246     4.900465 
1 1 1 16  16  15 o 37.275  2.1711  193.634   21.445    207.890   30.569    179.817   30.093    38.679  2.9734  35.871  3.1646  2.808094       4.342285 
1 1 1 16  16  16 o 59.979  2.2451  502.792   35.924    489.202   50.969    516.208   50.641    59.128  3.2305  60.830  3.1185  -1.702614      4.490149 
1 1 1 16  16  17 o 47.629  4.0841  327.835   51.598    327.835   51.598    0.0000    0.0000    47.629  4.0841  ?       ?       ?              ?        
1 1 1 16  16  18 o 12.017  2.9628  18.940    11.916    12.932    16.555    25.399    17.165    10.785  4.1179  13.249  4.2608  -2.463602      5.925516 
1 1 1 16  16  19 o 21.623  2.8170  69.490    15.663    77.585    21.962    61.112    22.343    23.085  3.6752  20.162  4.2703  2.922983       5.634013 
1 1 1 16  16  20 o 32.087  2.3953  147.685   20.273    149.278   28.904    146.143   28.443    32.253  3.3970  31.921  3.3780  0.3318443      4.790627 
1 1 1 16  16  21 o 20.051  2.9258  61.069    15.193    63.124    21.610    59.060    21.363    20.417  4.0941  19.686  4.1807  0.7305145      5.851499 
1 1 1 16  16  22 o 21.707  2.9005  72.220    16.233    69.146    23.222    75.157    22.702    21.149  4.2469  22.264  3.9516  -1.115650      5.800973 
1 1 1 16  17  0  o 27.455  2.0212  102.894   14.626    109.677   20.919    96.407    20.458    28.362  2.7897  26.549  2.9255  1.813616       4.042377 
1 1 1 16  17  1  o 27.152  2.5705  93.744    17.080    80.343    20.309    126.131   31.571    24.143  3.2208  30.161  4.0072  -6.017410      5.141101 
1 1 1 16  17  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  17  3  o 35.711  2.7928  173.533   26.501    0.0000    0.0000    173.533   26.501    ?       ?       35.711  2.7928  ?              ?        
1 1 1 16  17  4  o 56.879  2.0098  438.626   30.566    430.843   43.066    446.526   43.389    56.331  2.8637  57.428  2.8208  -1.096878      4.019693 
1 1 1 16  17  5  o 34.412  2.0347  161.755   18.561    154.047   26.332    169.365   26.166    33.572  2.9586  35.251  2.7941  -1.678532      4.069425 
1 1 1 16  17  6  o 25.174  2.2041  87.574    14.420    75.060    20.118    100.795   20.678    23.245  3.3260  27.104  2.8931  -3.858795      4.408225 
1 1 1 16  17  7  o 10.640  2.6580  13.215    9.6918    18.586    13.536    7.5633    13.884    11.761  3.7838  9.5192  3.7341  2.241851       5.316041 
1 1 1 16  17  8  f 14.826  2.7254  31.416    10.981    35.720    15.504    27.084    15.554    15.812  3.7224  13.839  3.9820  1.972733       5.450884 
1 1 1 16  17  9  o 20.939  2.4548  61.800    13.254    67.585    18.824    56.114    18.664    21.980  3.2992  19.898  3.6359  2.081692       4.909647 
1 1 1 16  17  10 o 24.636  2.3551  84.848    14.877    67.029    20.491    104.707   21.633    21.757  3.6452  27.515  2.9831  -5.757912      4.710246 
1 1 1 16  17  11 f 26.106  2.3064  95.203    15.774    93.435    22.176    97.014    22.441    25.852  3.2761  26.359  3.2472  -0.5066605     4.612759 
1 1 1 16  17  12 o 39.096  2.1229  211.555   22.047    218.214   31.058    204.792   31.301    39.746  2.9381  38.446  3.0650  1.299679       4.245829 
1 1 1 16  17  13 o 8.5151  2.4627  1.9030    9.4593    -7.1581   13.451    10.769    13.305    7.1299  3.2378  9.9004  3.7117  -2.770559      4.925438 
1 1 1 16  17  14 o 26.810  2.3699  101.698   16.630    107.157   23.695    96.398    23.345    27.561  3.2737  26.060  3.4276  1.500874       4.739811 
1 1 1 16  17  15 o 14.646  4.2242  31.690    17.485    31.690    17.485    0.0000    0.0000    14.646  4.2242  ?       ?       ?              ?        
1 1 1 16  17  16 o 6.0140  2.8375  -12.5378  11.925    0.0000    0.0000    -12.5378  11.925    ?       ?       6.0140  2.8375  ?              ?        
1 1 1 16  17  17 o 15.330  3.0399  35.299    13.334    44.741    18.623    25.367    19.101    17.303  4.0840  13.358  4.5040  3.944711       6.079864 
1 1 1 16  17  18 o 34.664  2.3867  171.923   21.755    154.685   30.927    188.805   30.607    32.797  3.5787  36.532  3.1590  -3.735298      4.773491 
1 1 1 16  17  19 o 14.500  3.1526  31.273    13.669    40.030    19.829    23.344    18.868    16.145  4.4447  12.855  4.4721  3.290597       6.305167 
1 1 1 16  17  20 o 15.169  3.0540  35.049    13.514    47.791    19.366    22.954    18.867    17.648  4.1641  12.690  4.4685  4.957493       6.108018 
1 1 1 16  17  21 o 21.630  2.9509  73.016    16.392    97.806    23.555    49.741    22.824    25.714  3.5118  17.546  4.7432  8.167381       5.901767 
1 1 1 16  18  0  o 44.462  1.9378  268.293   22.948    281.469   32.602    255.356   32.305    45.559  2.6835  43.364  2.7963  2.195637       3.875598 
1 1 1 16  18  1  o 9.3553  2.2346  7.9889    7.8696    20.071    10.849    -5.4293   11.433    11.968  3.2847  6.7427  3.0306  5.225213       4.469226 
1 1 1 16  18  2  o 59.616  2.0292  481.534   32.402    477.224   45.629    485.919   46.020    59.347  2.8705  59.886  2.8690  -0.5385132     4.058450 
1 1 1 16  18  3  o 24.368  2.2108  81.975    14.088    78.717    19.864    85.272    19.983    23.859  3.1881  24.877  3.0638  -1.017740      4.421671 
1 1 1 16  18  4  o 34.886  2.0364  166.337   18.852    163.341   26.830    169.258   26.495    34.562  2.9257  35.209  2.8334  -0.6467133     4.072782 
1 1 1 16  18  5  o 102.127 2.5320  1428.79   69.255    1399.61   97.474    1458.53   98.416    101.062 3.6009  103.193 3.5606  -2.131149      5.064072 
1 1 1 16  18  6  o 32.955  2.0892  149.410   18.156    133.511   25.622    165.444   25.731    31.132  3.1144  34.777  2.7857  -3.644602      4.178483 
1 1 1 16  18  7  o 31.633  2.1381  137.936   17.841    150.250   25.389    125.923   25.077    33.077  2.8948  30.189  3.1475  2.887960       4.276281 
1 1 1 16  18  8  o 13.722  2.6507  25.178    10.974    9.7492    15.027    42.810    16.064    10.126  3.9088  17.318  3.5814  -7.191973      5.301436 
1 1 1 16  18  9  f 27.919  2.2867  108.582   16.784    109.725   23.757    107.443   23.714    28.073  3.2176  27.766  3.2501  0.3077011      4.573418 
1 1 1 16  18  10 f 22.153  2.5196  69.685    14.414    75.756    20.593    63.855    20.182    23.165  3.4221  21.140  3.6990  2.024204       5.039138 
1 1 1 16  18  11 o 30.996  2.2347  134.106   18.287    129.942   25.736    138.353   25.990    30.490  3.1989  31.501  3.1214  -1.011023      4.469475 
1 1 1 16  18  12 o 29.269  2.2794  120.288   17.536    111.333   24.536    129.639   25.073    28.101  3.3242  30.436  3.1197  -2.334742      4.558802 
1 1 1 16  18  13 o 28.610  2.3983  115.861   18.009    113.026   24.924    118.957   26.051    28.255  3.3592  28.966  3.4240  -0.7110291     4.796654 
1 1 1 16  18  14 o 34.416  3.3113  167.285   30.148    0.0000    0.0000    167.285   30.148    ?       ?       34.416  3.3113  ?              ?        
1 1 1 16  18  15 o 36.014  2.2739  183.008   21.692    178.090   30.819    187.836   30.537    35.495  3.2786  36.532  3.1516  -1.036671      4.547779 
1 1 1 16  18  16 o 16.533  3.0575  41.393    13.853    33.497    19.789    48.981    19.400    14.957  4.5409  18.109  4.0955  -3.151751      6.115003 
1 1 1 16  18  17 o 29.894  2.4883  128.805   19.500    121.677   27.719    135.790   27.438    28.987  3.6511  30.800  3.3816  -1.812622      4.976560 
1 1 1 16  18  18 o 36.011  2.3742  186.269   22.611    178.439   32.078    194.002   31.878    35.189  3.4477  36.833  3.2650  -1.644669      4.748363 
1 1 1 16  18  19 o 19.962  3.0378  62.371    15.847    47.570    22.659    76.542    22.171    17.287  4.7480  22.637  3.7906  -5.349976      6.075576 
1 1 1 16  19  0  o 31.167  2.0416  132.801   16.847    132.701   23.625    132.906   24.031    31.160  2.8627  31.174  2.9117  -0.1351738E-01 4.083230 
1 1 1 16  19  1  o 85.511  2.2952  995.901   52.561    1012.07   74.177    979.598   74.489    86.223  3.2119  84.799  3.2796  1.423698       4.590366 
1 1 1 16  19  2  f 43.709  2.0049  260.439   23.334    271.127   33.157    249.952   32.843    44.614  2.7887  42.805  2.8814  1.809002       4.009851 
1 1 1 16  19  3  o 36.478  2.0402  182.081   19.740    194.743   28.095    169.737   27.740    37.761  2.7977  35.195  2.9704  2.565979       4.080486 
1 1 1 16  19  4  o 47.797  2.0127  311.991   25.650    309.199   36.250    314.791   36.299    47.579  2.8577  48.016  2.8350  -0.4368210     4.025398 
1 1 1 16  19  5  o 32.363  2.1080  144.074   18.064    141.274   25.238    147.014   25.865    32.040  2.9749  32.685  2.9874  -0.6457138     4.215989 
1 1 1 16  19  6  f 21.589  2.5277  66.340    13.987    76.603    19.686    55.878    19.877    23.424  3.2231  19.755  3.8948  3.668112       5.055465 
1 1 1 16  19  7  o 10.707  2.7495  13.450    10.224    15.538    14.255    11.237    14.671    11.104  3.8859  10.310  3.8909  0.7936888      5.499025 
1 1 1 16  19  8  o 57.044  2.1662  448.812   32.926    417.343   46.120    481.527   47.023    54.954  3.1463  59.134  2.9784  -4.179741      4.332469 
1 1 1 16  19  9  o 33.849  2.2055  159.646   19.719    171.793   27.916    147.552   27.857    35.196  2.9895  32.501  3.2433  2.694908       4.410912 
1 1 1 16  19  10 o 38.302  2.1918  204.478   22.271    213.227   31.404    195.627   31.589    39.171  3.0164  37.434  3.1806  1.736362       4.383513 
1 1 1 16  19  11 o 28.859  3.2969  117.481   25.027    117.481   25.027    0.0000    0.0000    28.859  3.2969  ?       ?       ?              ?        
1 1 1 16  19  12 o 23.594  3.6781  80.191    22.486    0.0000    0.0000    80.191    22.486    ?       ?       23.594  3.6781  ?              ?        
1 1 1 16  19  13 o 28.198  2.5304  114.705   17.937    80.982    24.806    151.658   25.966    23.487  4.0919  32.910  2.9780  -9.422630      5.060845 
1 1 1 16  19  14 o 11.934  2.9500  18.125    12.020    9.8491    16.870    26.658    17.131    10.338  4.0967  13.530  4.2459  -3.192160      5.900060 
1 1 1 16  19  15 o 19.403  2.9407  56.434    14.846    48.961    20.879    64.077    21.114    17.975  4.3774  20.831  3.9281  -2.856199      5.881464 
1 1 1 16  19  16 o 31.744  2.4263  144.787   20.299    143.432   28.848    146.116   28.567    31.573  3.4684  31.916  3.3938  -0.3426476     4.852627 
1 1 1 16  19  17 o 12.449  3.0753  21.366    12.796    27.962    18.535    15.359    17.688    13.654  4.4313  11.244  4.2653  2.410039       6.150512 
1 1 1 16  19  18 o 37.535  2.4265  205.591   24.114    211.826   34.104    199.356   34.101    38.161  3.3713  36.910  3.4908  1.250698       4.852923 
1 1 1 16  20  0  o 69.569  2.1140  659.152   39.367    681.316   55.425    636.586   55.926    70.774  2.9238  68.363  3.0542  2.410698       4.228089 
1 1 1 16  20  1  o 27.855  2.1325  106.906   15.650    103.233   21.980    110.683   22.289    27.355  3.0519  28.355  2.9793  -0.9996643     4.265023 
1 1 1 16  20  2  o 57.279  2.0592  448.281   31.487    442.855   44.256    453.843   44.808    56.927  2.9121  57.631  2.9122  -0.7035789     4.118424 
1 1 1 16  20  3  o 23.354  2.4000  76.528    14.509    84.384    20.579    68.762    20.461    24.626  3.1951  22.081  3.5822  2.544687       4.800068 
1 1 1 16  20  4  o 24.756  2.3330  85.909    14.876    70.516    20.757    102.164   21.331    22.340  3.5905  27.172  2.9798  -4.831734      4.665936 
1 1 1 16  20  5  o 20.244  2.5497  58.296    13.312    61.434    19.039    55.293    18.622    20.808  3.5429  19.679  3.6677  1.128719       5.099440 
1 1 1 16  20  6  o 20.512  2.6359  60.208    13.941    59.258    19.340    61.236    20.113    20.354  3.6831  20.669  3.7719  -0.3154392     5.271850 
1 1 1 16  20  7  f 30.798  2.2368  132.354   18.187    129.471   25.637    135.276   25.804    30.447  3.1910  31.150  3.1353  -0.7030983     4.473560 
1 1 1 16  20  8  o 23.029  2.6649  77.858    15.357    104.144   21.830    52.102    21.609    27.297  3.0373  18.761  4.3797  8.535278       5.329790 
1 1 1 16  20  9  o 11.484  4.3201  15.085    18.055    15.085    18.055    0.0000    0.0000    11.484  4.3201  ?       ?       ?              ?        
1 1 1 16  20  10 f 16.414  4.1816  40.001    18.436    0.0000    0.0000    40.001    18.436    ?       ?       16.414  4.1816  ?              ?        
1 1 1 16  20  11 o 17.096  2.9616  43.428    13.708    56.287    19.714    31.390    19.074    19.595  3.8933  14.598  4.4638  4.997188       5.923115 
1 1 1 16  20  12 o 17.917  2.9696  48.171    14.107    39.073    20.045    57.098    19.855    16.120  4.4810  19.715  3.8982  -3.595278      5.939252 
1 1 1 16  20  13 f 7.6059  2.4087  -4.8931   10.113    -4.5659   14.093    -5.2405   14.522    7.5841  3.3899  7.6277  3.4230  -0.4353619E-01 4.817487 
1 1 1 16  20  14 o 27.493  2.6178  110.160   18.602    125.630   26.374    94.845    26.241    29.618  3.3853  25.369  3.9938  4.248489       5.235507 
1 1 1 16  20  15 o 14.142  3.0758  29.284    13.266    18.569    18.328    41.076    19.227    11.920  4.3772  16.364  4.3222  -4.444561      6.151543 
1 1 1 16  20  16 o 12.070  2.6783  13.677    12.601    42.532    17.872    -14.8425  17.768    16.655  4.0463  7.4846  3.5101  9.170154       5.356620 
1 1 1 16  21  0  o 30.269  2.1867  126.634   17.412    114.163   24.397    139.582   24.859    28.693  3.2307  31.846  2.9479  -3.152437      4.373462 
1 1 1 16  21  1  o 10.368  2.6193  10.712    9.9766    21.476    14.123    -0.0111   14.095    12.432  3.8476  8.3031  3.5553  4.128798       5.238698 
1 1 1 16  21  2  o 13.595  2.8148  26.393    11.048    31.121    15.161    21.039    16.131    14.698  3.8171  12.492  4.1379  2.205972       5.629617 
1 1 1 16  21  3  o 11.523  2.8440  16.846    10.896    20.195    14.985    13.088    15.872    12.181  3.9860  10.865  4.0577  1.316118       5.687931 
1 1 1 16  21  4  o 19.613  2.6998  55.582    13.647    65.933    19.484    45.612    19.121    21.548  3.4956  17.678  4.1154  3.870337       5.399558 
1 1 1 16  21  5  o 13.490  2.8507  26.252    11.268    31.203    15.266    20.326    16.701    14.647  3.8432  12.333  4.2113  2.313839       5.701312 
1 1 1 16  21  6  o 27.705  2.3641  108.518   17.106    117.070   23.944    99.601    24.448    28.916  3.1421  26.494  3.5332  2.422102       4.728264 
1 1 1 16  21  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  21  8  o 14.652  2.8795  29.992    12.771    12.746    17.609    49.131    18.550    10.998  4.2353  18.306  3.9024  -7.308071      5.759078 
1 1 1 16  21  9  o 34.468  2.2843  167.447   20.787    179.020   29.289    155.702   29.506    35.750  3.0891  33.187  3.3660  2.562519       4.568594 
1 1 1 16  21  10 o 17.177  2.8732  44.622    14.248    70.854    19.966    17.397    20.340    22.216  3.4687  12.139  4.5813  10.07641       5.746356 
1 1 1 16  21  11 o 21.432  2.8919  68.166    15.965    73.670    22.246    62.320    22.926    22.463  3.8351  20.401  4.3296  2.062204       5.783896 
1 1 1 16  21  12 o 19.991  3.0427  60.308    15.806    63.235    22.000    57.185    22.723    20.583  4.1341  19.400  4.4655  1.183044       6.085339 
1 1 1 16  21  13 o 16.070  2.9140  38.182    13.964    15.037    19.409    63.016    20.105    11.493  4.4407  20.647  3.7744  -9.154726      5.828074 
1 1 1 16  21  14 o 12.753  3.0814  22.453    13.107    12.905    18.171    32.807    18.923    10.895  4.2725  14.611  4.4414  -3.716795      6.162809 
1 1 1 16  22  0  o 42.475  2.0814  248.520   23.533    246.986   33.210    250.066   33.353    42.342  2.9466  42.609  2.9405  -0.2668686     4.162793 
1 1 1 16  22  1  o 29.775  2.1971  123.382   17.253    127.228   24.315    119.483   24.484    30.270  3.0401  29.279  3.1727  0.9911156      4.394114 
1 1 1 16  22  2  o 12.880  2.9092  23.186    11.354    25.067    15.923    21.240    16.196    13.279  4.0814  12.480  4.1467  0.7993288      5.818357 
1 1 1 16  22  3  o 13.583  2.8513  25.258    11.571    15.015    15.652    37.604    17.183    11.142  4.0521  16.023  4.0126  -4.881231      5.702672 
1 1 1 16  22  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  22  5  o 31.772  3.4406  143.295   23.975    161.436   50.207    137.936   27.287    32.239  6.0361  31.305  3.3042  0.9339886      6.881296 
1 1 1 16  22  6  o 22.788  2.6368  75.421    15.276    57.415    21.320    94.420    21.899    19.724  4.1661  25.852  3.2333  -6.128109      5.273583 
1 1 1 16  22  7  o 27.945  2.4728  111.494   18.028    119.896   25.272    102.788   25.724    29.123  3.2978  26.767  3.6857  2.355938       4.945688 
1 1 1 16  22  8  o 35.973  2.3282  183.053   22.070    200.408   31.051    165.335   31.375    37.819  3.0924  34.127  3.4812  3.692223       4.656384 
1 1 1 16  22  9  o 23.942  2.6977  83.380    16.713    84.725    23.462    81.995    23.813    24.175  3.7444  23.708  3.8845  0.4666576      5.395307 
1 1 1 16  22  10 o 21.440  2.8361  68.208    15.662    61.962    22.289    74.300    22.013    20.337  4.2295  22.543  3.7794  -2.205383      5.672125 
1 1 1 16  22  11 o 7.1807  2.3032  -9.3049   10.045    0.5850    13.867    -20.2244  14.571    8.1710  3.5132  6.1905  2.9794  1.980546       4.606462 
1 1 1 16  22  12 o 19.709  2.9992  60.101    15.496    43.217    21.951    76.876    21.880    16.603  4.7153  22.815  3.7077  -6.212362      5.998444 
1 1 1 16  23  0  o 31.983  3.1752  142.866   26.841    142.866   26.841    0.0000    0.0000    31.983  3.1752  ?       ?       ?              ?        
1 1 1 16  23  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 16  23  2  o 26.558  2.3691  99.745    16.464    97.063    23.487    102.335   23.085    26.168  3.4339  26.948  3.2649  -0.7802563     4.738270 
1 1 1 16  23  3  o 37.927  2.2038  201.110   22.145    215.385   31.404    186.991   31.232    39.330  3.0038  36.524  3.2257  2.805737       4.407688 
1 1 1 16  23  4  o 18.750  2.8575  52.683    14.443    26.811    20.174    79.883    20.685    13.799  4.6290  23.702  3.3518  -9.903534      5.715020 
1 1 1 16  23  5  o 38.404  2.2266  206.825   22.641    189.954   31.874    224.010   32.168    36.746  3.2727  40.063  3.0199  -3.317577      4.453142 
1 1 1 16  23  6  o 11.885  2.9479  18.668    11.617    17.197    16.307    20.184    16.553    11.578  4.1460  12.192  4.1918  -0.6145134     5.895804 
1 1 1 16  23  7  o 15.234  2.7512  32.828    13.794    62.461    19.114    0.6276    19.925    20.767  3.5648  9.7017  4.1914  11.06482       5.502320 
1 1 1 16  23  8  o 36.900  2.3479  193.421   22.692    160.488   31.485    229.018   32.734    33.446  3.5696  40.353  3.0510  -6.907082      4.695843 
1 1 1 16  23  9  o 8.9962  2.7057  2.1033    11.384    -0.3149   15.408    5.0106    16.894    8.4537  3.6689  9.5387  3.9777  -1.085017      5.411368 
1 1 1 16  23  10 o 12.853  2.9856  21.820    13.181    38.549    18.671    5.2005    18.609    15.836  4.2939  9.8711  4.1495  5.964389       5.971228 
1 1 1 16  24  0  o 20.854  2.7427  61.760    14.634    48.566    19.304    79.590    22.441    18.162  4.0692  23.546  3.6786  -5.384367      5.485422 
1 1 1 16  24  1  o 21.004  2.7058  64.078    14.631    64.445    20.055    63.660    21.391    21.128  3.6774  20.880  3.9700  0.2485313      5.411508 
1 1 1 16  24  2  o 13.819  2.8628  26.926    12.464    42.725    17.270    9.7503    18.006    17.054  3.8695  10.584  4.2203  6.470078       5.725688 
1 1 1 16  24  3  o 25.208  2.5918  91.854    16.724    109.567   23.789    74.546    23.515    27.843  3.2511  22.574  4.0374  5.269728       5.183651 
1 1 1 16  24  4  o 24.120  2.6700  84.435    16.643    89.456    23.306    79.210    23.773    24.950  3.5908  23.289  3.9523  1.661032       5.339955 
1 1 1 16  24  5  o 16.165  3.1766  39.386    14.246    37.010    19.687    41.999    20.642    15.678  4.4701  16.653  4.5145  -0.9748163     6.353156 
1 1 1 16  24  6  o 22.271  2.8238  74.172    15.910    46.998    21.964    104.169   23.077    17.513  4.6167  27.030  3.2527  -9.516624      5.647519 
1 1 1 16  24  7  o 7.5775  2.3821  -3.5889   9.7386    -0.1565   12.801    -8.3044   15.005    7.7655  3.3572  7.3895  3.3803  0.3759894      4.764149 
1 1 1 16  24  8  o 19.272  3.0349  57.979    15.472    74.075    21.604    41.034    22.167    22.369  3.7376  16.176  4.7825  6.193243       6.069793 
1 1 1 16  25  0  o 40.981  2.2326  235.217   24.312    233.849   33.964    236.655   34.815    40.876  3.1258  41.086  3.1886  -0.2101707     4.465223 
1 1 1 16  25  1  o 19.561  2.9640  56.019    15.003    48.595    19.973    65.634    22.729    18.056  4.2076  21.066  4.1757  -3.009476      5.927989 
1 1 1 16  25  2  o 22.863  2.7123  76.487    15.960    83.068    22.311    69.590    22.841    24.010  3.5787  21.715  4.0766  2.294535       5.424554 
1 1 1 16  25  3  o 10.169  2.6463  7.0518    11.334    24.335    15.327    -13.8066  16.838    12.932  4.0093  7.4069  3.4551  5.524838       5.292619 
1 1 1 16  25  4  o 14.847  3.0907  33.329    13.803    44.908    18.849    19.937    20.270    17.258  4.1323  12.436  4.5972  4.821980       6.181419 
1 1 1 16  25  5  o 8.7541  2.6612  -1.4837   11.919    8.9067    15.944    -14.6460  17.945    9.9158  3.9654  7.5924  3.5501  2.323390       5.322347 
1 1 1 16  26  0  o 10.219  2.6138  7.4606    11.564    25.278    14.724    -21.2203  18.681    13.128  3.9016  7.3110  3.4793  5.816921       5.227618 
1 1 1 16  26  1  o 21.569  2.9174  68.071    16.249    34.838    21.527    112.084   24.774    15.174  4.7592  27.965  3.3757  -12.79052      5.834848 
1 1 1 16  26  2  o 31.277  2.5359  142.170   20.209    105.759   27.957    182.021   29.247    26.718  4.0320  35.836  3.0768  -9.118322      5.071891 
1 1 1 16  26  3  o 13.854  2.9537  26.722    13.952    48.501    19.231    2.5235    20.271    17.844  4.1087  9.8635  4.2445  7.980017       5.907339 
1 1 1 17  -35 9  o 9.6530  2.7534  10.017    12.716    -14.1790  21.081    23.855    15.943    7.6902  3.6698  11.616  4.1058  -3.925598      5.506834 
1 1 1 17  -35 10 o 19.024  3.4684  69.849    17.620    77.624    27.219    64.240    23.118    19.666  5.1180  18.381  4.6824  1.284527       6.936787 
1 1 1 17  -35 11 o 8.3938  2.6909  0.0985    13.009    -10.1651  22.528    5.2334    15.935    8.2186  3.8844  8.5690  3.7250  -0.3504114     5.381888 
1 1 1 17  -35 12 o 9.3309  4.1664  -32.5834  10.755    5.4308    21.229    -45.7088  12.474    9.3309  4.1664  ?       ?       ?              ?        
1 1 1 17  -35 13 o 10.407  3.0678  14.670    15.321    -4.4326   25.604    25.324    19.122    9.0444  4.2326  11.769  4.4419  -2.724551      6.135592 
1 1 1 17  -35 14 o 11.777  3.0390  24.270    15.109    -6.0405   25.352    40.966    18.816    8.8709  4.1706  14.683  4.4212  -5.811946      6.077928 
1 1 1 17  -35 15 o 9.7470  3.0474  9.3352    15.450    10.977    24.186    8.2034    20.082    10.091  4.4800  9.4030  4.1323  0.6880198      6.094831 
1 1 1 17  -35 16 o 8.6408  2.7946  0.4748    14.488    -7.6915   23.833    5.2609    18.246    8.4744  4.0023  8.8072  3.9015  -0.3327198     5.589296 
1 1 1 17  -35 17 o 11.886  3.3924  25.089    16.738    44.184    26.517    12.441    21.581    13.865  5.2314  9.9073  4.3205  3.957861       6.784852 
1 1 1 17  -35 18 o 12.026  2.8681  23.455    15.499    -25.3426  25.523    51.962    19.508    7.6157  3.7281  16.437  4.3596  -8.821164      5.736248 
1 1 1 17  -35 19 o 10.808  3.0699  19.243    15.864    -8.9456   25.830    36.317    20.103    8.4808  4.0512  13.135  4.6136  -4.653854      6.139809 
1 1 1 17  -35 20 f 14.183  3.6677  48.695    18.011    53.357    27.844    45.341    23.618    14.419  5.3765  13.947  4.9901  0.4720755      7.335376 
1 1 1 17  -34 3  o 10.189  2.9172  10.017    14.178    -13.9803  22.213    26.515    18.418    8.0607  3.8238  12.316  4.4067  -4.255759      5.834361 
1 1 1 17  -34 4  o 9.9251  2.9453  10.216    12.708    16.124    21.390    6.9930    15.799    10.876  4.5006  8.9742  3.8006  1.901921       5.890625 
1 1 1 17  -34 5  o 17.107  3.4106  54.022    16.227    54.745    24.660    53.470    21.551    16.947  5.0521  17.268  4.5832  -0.3209229     6.821274 
1 1 1 17  -34 6  o 7.9918  2.6146  -10.8800  12.277    7.1744    21.554    -19.5497  14.936    9.8876  4.3147  6.0961  2.9542  3.791521       5.229159 
1 1 1 17  -34 7  o 10.984  2.8580  18.168    12.623    -4.6528   22.332    28.881    15.302    8.8825  4.0855  13.085  3.9976  -4.202581      5.715921 
1 1 1 17  -34 8  o 7.7052  2.5640  -12.7769  12.656    -1.3197   21.687    -18.6941  15.585    9.0746  4.1172  6.3358  3.0571  2.738859       5.128088 
1 1 1 17  -34 9  o 10.156  3.0169  11.312    13.767    9.9972    21.655    12.203    17.835    10.242  4.3967  10.070  4.1323  0.1719084      6.033808 
1 1 1 17  -34 10 o 6.9413  2.3553  -16.2956  11.650    -12.1353  20.164    -18.3802  14.273    7.8784  3.7088  6.0041  2.9041  1.874332       4.710535 
1 1 1 17  -34 11 o 10.174  3.0396  10.452    13.693    16.075    22.980    7.3565    17.051    11.080  4.6314  9.2687  3.9380  1.811146       6.079253 
1 1 1 17  -34 12 o 11.553  3.2910  19.031    15.139    28.056    25.203    13.936    18.936    12.700  5.0153  10.406  4.2625  2.293706       6.581985 
1 1 1 17  -34 13 o 14.530  3.4191  40.635    16.510    26.283    26.554    49.680    21.079    12.465  5.0701  16.595  4.5885  -4.130225      6.838120 
1 1 1 17  -34 14 o 18.506  3.5578  64.378    17.952    69.899    27.512    60.284    23.689    18.954  5.2426  18.058  4.8111  0.8966713      7.115618 
1 1 1 17  -34 15 o 12.297  3.2007  19.190    14.328    48.633    24.468    3.8239    17.676    15.748  5.0895  8.8465  3.8826  6.901381       6.401336 
1 1 1 17  -34 16 o 5.5066  1.9760  -28.4136  9.4974    -36.4785  21.783    -26.5205  10.553    6.6873  3.3064  4.3258  2.1647  2.361560       3.951921 
1 1 1 17  -34 17 o 13.644  3.4534  32.507    15.944    53.029    26.175    20.400    20.105    16.052  5.2688  11.235  4.4659  4.816741       6.906863 
1 1 1 17  -34 18 o 10.131  3.0650  10.773    14.207    20.119    23.880    5.6527    17.676    11.303  4.7227  8.9581  3.9082  2.345219       6.130085 
1 1 1 17  -34 19 o 10.375  3.1433  11.337    15.186    25.757    25.030    2.9371    19.103    11.931  4.8955  8.8192  3.9440  3.112082       6.286608 
1 1 1 17  -34 20 o 16.688  3.7455  60.928    19.076    54.930    29.184    65.401    25.205    15.431  5.5443  17.946  5.0374  -2.514883      7.490987 
1 1 1 17  -34 21 o 14.766  3.4048  46.516    17.435    23.762    26.406    64.103    23.215    11.477  4.8890  18.055  4.7401  -6.577905      6.809587 
1 1 1 17  -34 22 o 8.9596  2.7918  4.8143    14.039    -16.1067  23.817    15.954    17.379    7.8785  3.7960  10.041  4.0948  -2.162194      5.583636 
1 1 1 17  -34 23 o 21.521  3.9415  106.030   22.873    105.890   34.346    106.142   30.662    20.787  5.8964  22.254  5.2320  -1.467405      7.882978 
1 1 1 17  -34 24 o 19.423  3.9333  89.942    21.442    102.880   32.309    79.759    28.664    20.613  5.6731  18.232  5.4496  2.380926       7.866506 
1 1 1 17  -34 25 o 12.822  3.6139  41.504    18.466    52.847    28.662    33.455    24.145    13.794  5.3779  11.851  4.8290  1.943069       7.227807 
1 1 1 17  -33 0  f 16.160  3.2353  43.072    15.326    69.487    24.114    25.172    19.851    19.990  4.5994  12.331  4.5512  7.658831       6.470534 
1 1 1 17  -33 1  o 25.070  2.9429  104.415   18.687    86.373    27.362    120.186   25.582    22.326  4.7232  27.815  3.5121  -5.488892      5.885840 
1 1 1 17  -33 2  f 15.594  3.3042  43.187    15.466    31.125    22.705    53.629    21.125    13.453  4.8823  17.735  4.4534  -4.281972      6.608325 
1 1 1 17  -33 3  o 15.975  3.2829  44.500    14.879    42.612    22.379    45.996    19.920    15.504  4.8508  16.446  4.4250  -0.9421425     6.565862 
1 1 1 17  -33 4  o 28.097  2.8098  125.314   20.488    138.502   29.794    113.485   28.218    29.646  3.8425  26.547  4.1006  3.099340       5.619565 
1 1 1 17  -33 5  o 16.658  3.3717  48.965    15.939    43.192    23.897    53.591    21.393    15.535  5.0307  17.781  4.4906  -2.246535      6.743391 
1 1 1 17  -33 6  o 11.408  3.0014  18.378    13.299    3.3518    20.675    28.982    17.368    9.5721  4.2001  13.244  4.2888  -3.672344      6.002861 
1 1 1 17  -33 7  o 18.599  4.4578  58.202    21.918    0.0000    0.0000    58.202    21.918    ?       ?       18.599  4.4578  ?              ?        
1 1 1 17  -33 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -33 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -33 10 o 9.9675  4.3077  6.5242    21.063    6.5242    21.063    0.0000    0.0000    9.9675  4.3077  ?       ?       ?              ?        
1 1 1 17  -33 11 o 11.852  3.2701  20.778    14.917    22.349    22.443    19.534    19.966    12.141  4.7518  11.563  4.4940  0.5778360      6.540258 
1 1 1 17  -33 12 f 20.153  3.2971  69.436    17.411    78.161    25.935    62.277    23.492    21.335  4.6682  18.971  4.6574  2.363981       6.594190 
1 1 1 17  -33 13 o 9.6805  2.9985  2.8057    14.525    13.451    23.433    -3.8364   18.509    11.006  4.6430  8.3547  3.7956  2.651505       5.997031 
1 1 1 17  -33 14 o 14.514  3.4614  36.169    15.862    49.137    25.047    27.485    20.496    16.246  5.1388  12.783  4.6388  3.463652       6.922841 
1 1 1 17  -33 15 o 16.082  3.4165  47.780    16.455    36.103    24.771    57.002    22.013    14.067  5.1005  18.097  4.5470  -4.029722      6.833012 
1 1 1 17  -33 16 o 19.296  3.5421  67.489    18.523    80.831    27.677    56.666    24.930    21.139  4.9715  17.452  5.0468  3.687065       7.084271 
1 1 1 17  -33 17 o 12.312  3.3458  24.016    15.390    33.670    24.080    17.350    20.010    13.583  5.0128  11.040  4.4327  2.543313       6.691509 
1 1 1 17  -33 18 o 14.158  3.3645  32.689    15.949    58.433    25.112    15.285    20.647    17.559  5.0617  10.757  4.4338  6.801591       6.729003 
1 1 1 17  -33 19 o 11.502  3.2631  15.251    16.232    38.294    24.835    -1.9357   21.448    14.094  5.1075  8.9110  4.0628  5.182668       6.526296 
1 1 1 17  -33 20 o 14.292  5.0657  40.007    24.285    40.007    24.285    0.0000    0.0000    14.292  5.0657  ?       ?       ?              ?        
1 1 1 17  -33 21 o 10.826  4.6031  15.715    23.330    15.715    23.330    0.0000    0.0000    10.826  4.6031  ?       ?       ?              ?        
1 1 1 17  -33 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -33 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -33 24 o 13.267  5.0547  37.592    24.910    0.0000    0.0000    37.592    24.910    ?       ?       13.267  5.0547  ?              ?        
1 1 1 17  -33 25 o 8.3358  2.7976  -11.7306  16.290    6.5514    25.940    -23.6341  20.931    9.7076  4.4421  6.9640  3.4021  2.743569       5.595191 
1 1 1 17  -33 26 o 8.3509  2.7566  -8.4166   16.242    -33.0873  24.190    11.835    21.916    7.0025  3.4661  9.6994  4.2874  -2.696898      5.513214 
1 1 1 17  -33 27 o 9.1788  2.9908  5.9087    17.118    -1.6046   27.310    10.770    21.968    8.9314  4.2377  9.4263  4.2215  -0.4948292     5.981539 
1 1 1 17  -33 28 o 8.5200  2.8503  -1.8583   16.462    10.913    26.923    -9.4843   20.804    9.5336  4.4206  7.5065  3.5992  2.027092       5.700509 
1 1 1 17  -32 0  o 8.9611  2.7725  0.5875    12.659    7.7115    19.132    -4.9605   16.884    9.9270  4.1920  7.9952  3.6295  1.931729       5.544908 
1 1 1 17  -32 1  o 20.135  3.0642  65.976    15.999    65.427    23.550    66.447    21.804    19.895  4.5219  20.375  4.1365  -0.4799614     6.128448 
1 1 1 17  -32 2  o 29.958  3.4745  135.490   27.363    0.0000    0.0000    135.490   27.363    ?       ?       29.958  3.4745  ?              ?        
1 1 1 17  -32 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -32 4  o 28.579  3.7534  125.521   28.037    125.521   28.037    0.0000    0.0000    28.579  3.7534  ?       ?       ?              ?        
1 1 1 17  -32 5  o 10.315  2.9692  9.1916    12.926    19.964    20.255    1.7918    16.788    11.863  4.5489  8.7675  3.8174  3.095817       5.938469 
1 1 1 17  -32 6  o 12.672  3.1157  25.430    13.440    15.697    21.044    32.134    17.466    11.295  4.5420  14.049  4.2663  -2.753973      6.231498 
1 1 1 17  -32 7  o 12.098  2.8168  14.429    12.618    44.871    19.716    -6.6885   16.421    16.478  4.3886  7.7172  3.5324  8.760803       5.633633 
1 1 1 17  -32 8  o 12.667  3.0698  21.738    13.572    41.782    20.662    6.5251    18.000    15.745  4.6065  9.5899  4.0588  6.155218       6.139513 
1 1 1 17  -32 9  o 7.2596  2.3853  -7.9720   10.513    -13.4997  18.949    -5.5138   12.637    7.6963  3.6143  6.8229  3.1138  0.8734407      4.770631 
1 1 1 17  -32 10 o 28.476  2.6235  125.093   19.516    126.963   28.266    123.389   26.978    28.611  3.7811  28.341  3.6379  0.2700577      5.246995 
1 1 1 17  -32 11 f 15.176  3.2614  37.153    14.217    50.038    23.079    29.273    18.048    16.991  4.8383  13.362  4.3745  3.628489       6.522708 
1 1 1 17  -32 12 f 7.6331  2.4901  -8.7658   11.158    -0.4904   19.051    -13.0869  13.767    8.8981  3.9619  6.3680  3.0177  2.530122       4.980284 
1 1 1 17  -32 13 o 13.828  3.2463  32.745    14.352    24.677    22.917    37.951    18.410    12.596  4.8364  15.061  4.3317  -2.465616      6.492664 
1 1 1 17  -32 14 o 21.641  3.1417  77.943    17.563    78.628    25.786    77.350    23.986    21.575  4.6027  21.708  4.2775  -0.1330490     6.283420 
1 1 1 17  -32 15 o 20.589  3.2421  74.221    17.536    57.018    26.238    88.110    23.575    17.636  5.2000  23.542  3.8735  -5.906153      6.484118 
1 1 1 17  -32 16 o 22.377  3.1701  83.714    18.272    91.609    27.341    77.343    24.562    23.282  4.5475  21.472  4.4180  1.809774       6.340223 
1 1 1 17  -32 17 o 31.736  2.6575  159.102   21.957    179.842   31.343    139.114   30.769    34.116  3.4787  29.357  4.0185  4.758570       5.315079 
1 1 1 17  -32 18 o 11.425  3.0652  19.736    13.632    7.0853    22.086    27.521    17.326    10.060  4.3794  12.790  4.2898  -2.729695      6.130398 
1 1 1 17  -32 19 o 10.481  2.8752  12.361    13.481    -13.1023  22.076    27.504    17.024    8.2142  3.8710  12.748  4.2523  -4.533490      5.750363 
1 1 1 17  -32 20 o 20.549  3.2406  73.167    17.865    106.668   26.870    46.627    23.916    25.384  4.0911  15.713  5.0269  9.670508       6.481262 
1 1 1 17  -32 21 o 20.176  3.5422  75.349    18.993    79.535    28.245    71.893    25.661    20.536  5.1456  19.817  4.8694  0.7189026      7.084307 
1 1 1 17  -32 22 o 15.569  3.4314  47.182    17.487    25.689    26.331    64.143    23.390    12.320  5.0342  18.818  4.6641  -6.497556      6.862710 
1 1 1 17  -32 23 o 17.776  3.5758  61.757    17.915    57.573    26.761    65.154    24.116    16.834  5.3103  18.719  4.7902  -1.884209      7.151556 
1 1 1 17  -32 24 o 16.788  3.1803  47.328    18.068    99.169    27.532    8.1147    23.945    23.523  4.5341  10.054  4.4608  13.46918       6.360594 
1 1 1 17  -32 25 o 7.3997  2.5483  -33.5019  15.598    -0.4127   24.228    -56.9246  20.384    9.2380  4.2513  5.5614  2.8109  3.676570       5.096596 
1 1 1 17  -32 26 o 9.9460  4.5730  4.7965    27.945    4.7965    27.945    0.0000    0.0000    9.9460  4.5730  ?       ?       ?              ?        
1 1 1 17  -32 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -32 28 o 13.005  3.5955  40.532    20.568    13.716    35.069    54.593    25.393    10.650  4.9742  15.360  5.1931  -4.710078      7.191031 
1 1 1 17  -32 29 o 10.056  3.1874  14.950    17.954    8.0904    26.716    20.600    24.246    9.5646  4.4239  10.547  4.5899  -0.9825191     6.374809 
1 1 1 17  -32 30 o 9.0058  2.9216  2.8518    17.249    -21.9207  25.825    22.804    23.177    7.5185  3.6947  10.493  4.5268  -2.974452      5.843175 
1 1 1 17  -32 31 o 9.7872  3.1179  17.427    17.512    30.187    25.243    5.5870    24.316    10.859  4.7045  8.7150  4.0932  2.144229       6.235890 
1 1 1 17  -31 0  o 10.460  4.3182  10.193    19.625    10.193    19.625    0.0000    0.0000    10.460  4.3182  ?       ?       ?              ?        
1 1 1 17  -31 1  o 13.867  3.1038  27.858    13.447    46.530    21.077    15.039    17.464    16.840  4.5603  10.894  4.2115  5.946372       6.207535 
1 1 1 17  -31 2  o 32.890  2.4221  160.882   20.844    184.654   29.965    138.595   29.013    35.475  3.1875  30.304  3.6477  5.171068       4.844160 
1 1 1 17  -31 3  o 17.245  3.0042  47.028    13.954    60.601    20.699    35.719    18.893    19.638  4.0689  14.851  4.4210  4.786457       6.008399 
1 1 1 17  -31 4  o 18.855  3.0776  56.606    15.305    69.612    22.610    45.607    20.792    21.017  4.1637  16.693  4.5332  4.323627       6.155196 
1 1 1 17  -31 5  o 21.838  2.8265  76.199    15.614    58.709    23.172    90.745    21.132    18.931  4.6123  24.746  3.2683  -5.814850      5.652918 
1 1 1 17  -31 6  o 10.608  2.8653  12.843    12.204    -0.2608   18.504    22.931    16.236    8.9527  3.9493  12.264  4.1525  -3.311516      5.730632 
1 1 1 17  -31 7  o 8.1356  2.1746  3.3418    8.4744    -30.9443  16.415    15.801    9.8951    5.9280  2.9194  10.343  3.2238  -4.415265      4.349258 
1 1 1 17  -31 8  o 14.566  3.2290  34.046    14.162    42.091    20.747    27.027    19.378    15.991  4.5982  13.141  4.5345  2.849654       6.457965 
1 1 1 17  -31 9  o 17.361  3.0476  48.133    14.067    54.217    21.081    43.250    18.887    18.332  4.3575  16.391  4.2620  1.940626       6.095289 
1 1 1 17  -31 10 f 16.186  3.2241  42.874    14.444    45.038    22.305    41.312    18.955    16.404  4.7826  15.968  4.3250  0.4353752      6.448127 
1 1 1 17  -31 11 o 21.027  3.0831  72.227    16.784    57.566    24.399    85.396    23.124    18.485  4.8626  23.569  3.7916  -5.083994      6.166186 
1 1 1 17  -31 12 o 10.776  2.9944  11.302    12.754    24.911    20.416    2.5908    16.334    12.744  4.6290  8.8068  3.7998  3.937663       5.988800 
1 1 1 17  -31 13 o 32.198  2.4762  156.034   20.990    158.411   30.435    153.878   28.987    32.364  3.5703  32.031  3.4321  0.3333778      4.952425 
1 1 1 17  -31 14 o 10.576  2.9890  12.608    13.183    3.4686    20.521    19.030    17.202    9.6835  4.2183  11.469  4.2360  -1.785922      5.978077 
1 1 1 17  -31 15 o 19.495  3.1957  62.866    16.310    64.411    24.223    61.584    22.060    19.581  4.6819  19.410  4.3508  0.1702518      6.391375 
1 1 1 17  -31 16 o 11.756  3.1292  19.844    13.145    23.597    21.037    17.440    16.836    12.417  4.6648  11.094  4.1721  1.322695       6.258348 
1 1 1 17  -31 17 o 8.9471  2.7711  2.1086    12.538    -0.0400   19.750    3.5588    16.226    9.0772  4.0383  8.8171  3.7958  0.2601471      5.542205 
1 1 1 17  -31 18 o 11.451  3.1107  17.386    14.570    0.7816    22.418    29.529    19.172    9.5959  4.2833  13.307  4.5122  -3.710785      6.221491 
1 1 1 17  -31 19 o 13.217  3.3146  29.054    14.625    33.863    22.165    25.347    19.462    13.946  4.8474  12.489  4.5221  1.457206       6.629239 
1 1 1 17  -31 20 o 14.568  3.2320  34.463    15.747    59.401    23.041    12.603    21.572    18.450  4.6609  10.687  4.4787  7.763745       6.463913 
1 1 1 17  -31 21 o 14.551  3.2977  38.240    15.845    20.325    24.036    52.008    21.071    11.817  4.8169  17.286  4.5052  -5.469580      6.595410 
1 1 1 17  -31 22 o 25.519  3.0492  108.750   19.992    127.001   29.587    93.416    27.120    27.741  4.1060  23.298  4.5089  4.442904       6.098307 
1 1 1 17  -31 23 o 20.866  3.4927  79.549    19.141    83.000    28.601    76.750    25.759    21.059  5.1202  20.673  4.7516  0.3863983      6.985324 
1 1 1 17  -31 24 o 27.601  3.0645  129.610   21.823    145.917   32.357    116.003   29.558    29.315  4.2444  25.887  4.4216  3.427654       6.129099 
1 1 1 17  -31 25 f 25.132  3.1684  110.545   20.417    132.029   29.815    91.576    28.016    27.944  4.1059  22.320  4.8267  5.623474       6.336842 
1 1 1 17  -31 26 o 9.4288  2.9203  -8.0866   15.496    28.172    23.919    -34.3086  20.341    12.393  4.8885  6.4644  3.1959  5.928674       5.840517 
1 1 1 17  -31 27 o 10.138  3.1417  10.148    16.616    1.4205    24.722    17.339    22.440    9.4540  4.3299  10.822  4.5534  -1.368283      6.283403 
1 1 1 17  -31 28 o 9.6600  2.9915  3.9186    16.096    -18.1183  23.262    24.160    22.294    7.7785  3.7487  11.542  4.6630  -3.763019      5.983052 
1 1 1 17  -31 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -31 30 o 9.2151  4.1821  6.3565    22.394    0.0000    0.0000    6.3565    22.394    ?       ?       9.2151  4.1821  ?              ?        
1 1 1 17  -31 31 o 10.439  3.2341  19.760    17.551    11.994    25.680    26.567    24.042    9.7443  4.4438  11.133  4.7001  -1.388634      6.468289 
1 1 1 17  -31 32 o 8.2959  2.7732  -11.9858  17.184    21.233    24.672    -43.2847  23.949    10.229  4.5339  6.3625  3.1947  3.866756       5.546383 
1 1 1 17  -30 0  o 10.103  2.8258  10.012    11.301    16.673    17.498    5.2468    14.801    11.262  4.2495  8.9443  3.7259  2.317743       5.651607 
1 1 1 17  -30 1  o 15.454  2.7587  37.948    13.321    9.4894    19.605    62.358    18.157    10.457  4.3164  20.451  3.4366  -9.993618      5.517374 
1 1 1 17  -30 2  o 29.500  2.4154  128.091   18.707    136.285   26.830    120.339   26.097    30.482  3.3409  28.517  3.4894  1.964779       4.830877 
1 1 1 17  -30 3  o 9.9754  2.7435  10.778    10.855    3.0625    16.819    16.285    14.211    9.0880  3.8873  10.863  3.8724  -1.774756      5.486952 
1 1 1 17  -30 4  o 11.137  2.9067  15.999    11.296    20.416    17.791    13.015    14.622    12.003  4.3270  10.271  3.8825  1.731832       5.813495 
1 1 1 17  -30 5  o 10.849  2.8194  9.0789    12.078    30.506    18.480    -6.9006   15.959    13.990  4.4128  7.7080  3.5105  6.282328       5.638849 
1 1 1 17  -30 6  o 16.848  2.8971  43.802    12.872    47.243    19.502    41.145    17.134    17.372  4.2307  16.325  3.9591  1.046803       5.794247 
1 1 1 17  -30 7  o 13.331  3.1320  27.234    13.164    22.874    19.998    30.568    17.486    12.634  4.5825  14.028  4.2707  -1.394258      6.264047 
1 1 1 17  -30 8  o 18.672  2.9667  53.985    14.536    65.127    21.197    44.093    19.973    20.646  3.9773  16.697  4.4029  3.948521       5.933354 
1 1 1 17  -30 9  o 15.222  3.2150  36.478    14.158    42.056    20.675    31.552    19.429    16.235  4.5642  14.209  4.5292  2.025787       6.430073 
1 1 1 17  -30 10 o 14.842  3.1184  34.541    13.219    35.975    20.110    33.449    17.540    15.054  4.5792  14.629  4.2341  0.4250460      6.236737 
1 1 1 17  -30 11 o 13.950  3.1705  29.174    13.462    38.817    20.772    22.193    17.675    15.570  4.6358  12.331  4.3263  3.238708       6.340966 
1 1 1 17  -30 12 o 23.633  2.6696  83.839    16.293    90.456    24.048    78.224    22.152    24.498  3.7870  22.769  3.7637  1.729225       5.339192 
1 1 1 17  -30 13 o 22.846  2.7936  79.572    16.256    102.003   23.781    59.896    22.273    26.238  3.4689  19.453  4.3800  6.784529       5.587258 
1 1 1 17  -30 14 o 14.658  3.1324  34.942    14.176    20.106    21.830    45.761    18.642    12.249  4.7161  17.066  4.1240  -4.817427      6.264892 
1 1 1 17  -30 15 o 23.221  2.9147  82.538    17.287    106.534   25.992    63.503    23.150    26.525  3.7640  19.917  4.4514  6.608625       5.829470 
1 1 1 17  -30 16 o 12.318  3.1997  21.452    13.702    27.237    21.380    17.420    17.849    13.275  4.7479  11.360  4.2906  1.914665       6.399415 
1 1 1 17  -30 17 o 12.673  3.2117  24.464    13.796    24.192    20.748    24.680    18.471    12.683  4.6573  12.664  4.4238  0.1892471E-01  6.423400 
1 1 1 17  -30 18 o 14.085  3.2131  32.203    13.727    34.909    20.656    30.063    18.370    14.523  4.6744  13.647  4.4099  0.8762531      6.426299 
1 1 1 17  -30 19 o 16.002  3.3236  42.974    15.123    47.810    22.715    39.124    20.268    16.724  4.8121  15.280  4.5858  1.443387       6.647278 
1 1 1 17  -30 20 o 15.267  3.4694  40.275    16.028    42.513    23.984    38.469    21.545    15.552  5.0402  14.981  4.7689  0.5703325      6.938725 
1 1 1 17  -30 21 o 29.540  2.6085  135.288   20.168    141.654   29.360    129.600   27.752    30.179  3.7103  28.901  3.6675  1.277502       5.216985 
1 1 1 17  -30 22 o 30.282  2.6587  143.463   20.834    170.223   30.401    119.765   28.608    33.284  3.4606  27.280  4.0372  6.004387       5.317394 
1 1 1 17  -30 23 o 12.636  3.2161  24.997    15.691    3.4406    23.741    41.720    20.910    9.9338  4.4229  15.338  4.6703  -5.403803      6.432256 
1 1 1 17  -30 24 o 15.275  3.4215  43.049    16.310    31.074    23.662    53.888    22.511    13.232  4.9519  17.317  4.7228  -4.085788      6.842941 
1 1 1 17  -30 25 o 11.058  3.0944  13.900    15.482    -9.5507   23.100    33.028    20.862    8.6004  4.0234  13.515  4.7025  -4.914647      6.188807 
1 1 1 17  -30 26 o 11.546  3.2604  18.157    15.843    35.177    23.729    4.4678    21.281    13.615  4.9835  9.4780  4.2054  4.136810       6.520810 
1 1 1 17  -30 27 o 16.537  3.4646  54.471    17.563    36.395    26.192    69.239    23.674    13.558  5.1789  19.516  4.6035  -5.958354      6.929189 
1 1 1 17  -30 28 o 10.282  3.0600  10.523    15.563    -8.2501   23.154    25.994    21.019    8.5329  4.0034  12.032  4.6290  -3.498953      6.120055 
1 1 1 17  -30 29 o 12.776  3.1514  26.545    16.821    -9.4015   25.204    55.411    22.586    8.6884  4.1072  16.863  4.7810  -8.174322      6.302890 
1 1 1 17  -30 30 o 13.825  3.5085  38.153    18.038    62.275    26.347    16.872    24.747    16.946  5.2570  10.704  4.6477  6.241401       7.016930 
1 1 1 17  -30 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -30 32 o 6.0898  3.0418  -38.1113  20.408    0.0000    0.0000    -38.1113  20.408    ?       ?       6.0898  3.0418  ?              ?        
1 1 1 17  -30 33 o 7.1801  2.4847  -20.6050  16.008    -26.5374  22.607    -14.6386  22.672    6.8724  3.3924  7.4877  3.6312  -0.6152759     4.969301 
1 1 1 17  -30 34 o 8.3548  2.8126  -0.1857   17.344    -4.1715   25.004    3.5107    24.079    8.1506  3.9179  8.5590  4.0363  -0.4083614     5.625145 
1 1 1 17  -29 0  o 18.831  2.7355  54.312    13.671    84.156    19.931    27.796    18.787    24.111  3.1624  13.550  4.4645  10.56168       5.471016 
1 1 1 17  -29 1  o 31.473  2.3166  143.273   19.198    137.448   27.599    148.733   26.722    30.755  3.4075  32.190  3.1392  -1.435030      4.633156 
1 1 1 17  -29 2  o 15.861  2.8637  37.532    12.806    56.021    18.924    21.914    17.392    19.336  3.7894  12.387  4.2946  6.949481       5.727395 
1 1 1 17  -29 3  o 19.487  2.7474  56.486    13.821    74.275    20.516    41.706    18.701    22.505  3.5187  16.468  4.2204  6.036903       5.494793 
1 1 1 17  -29 4  o 11.923  2.9884  19.432    11.831    20.560    18.326    18.626    15.492    12.242  4.3940  11.605  4.0515  0.6375237      5.976804 
1 1 1 17  -29 5  o 14.699  3.0334  32.136    12.901    42.662    19.190    23.455    17.427    16.664  4.2776  12.733  4.3021  3.931088       6.066806 
1 1 1 17  -29 6  o 10.818  2.8565  11.404    11.762    24.595    17.568    0.6876    15.835    12.974  4.3193  8.6623  3.7394  4.311979       5.713083 
1 1 1 17  -29 7  o 28.484  2.4127  117.239   18.038    120.168   25.726    114.407   25.299    28.849  3.3942  28.120  3.4300  0.7288570      4.825474 
1 1 1 17  -29 8  o 14.648  3.1240  32.672    13.230    33.039    19.798    32.376    17.784    14.709  4.5561  14.586  4.2755  0.1229668      6.248033 
1 1 1 17  -29 9  o 16.913  2.9044  42.556    13.048    54.090    19.880    33.826    17.294    18.922  4.0450  14.905  4.1688  4.017097       5.808708 
1 1 1 17  -29 10 o 23.978  2.7386  84.941    16.954    92.409    24.885    78.473    23.160    24.994  3.8400  22.961  3.9056  2.032440       5.477175 
1 1 1 17  -29 11 o 26.132  2.6104  101.115   17.530    87.084    25.225    114.221   24.379    24.112  4.0493  28.153  3.2954  -4.040701      5.220787 
1 1 1 17  -29 12 o 24.745  2.7437  91.408    17.109    119.962   24.817    65.544    23.619    28.858  3.2683  20.632  4.4078  8.225452       5.487341 
1 1 1 17  -29 13 o 22.849  2.8672  79.302    16.791    69.200    24.259    88.594    23.265    21.180  4.4192  24.518  3.6543  -3.338234      5.734437 
1 1 1 17  -29 14 o 15.531  2.9367  38.167    13.962    14.173    20.947    57.351    18.729    11.466  4.5582  19.595  3.7042  -8.129260      5.873480 
1 1 1 17  -29 15 o 19.240  3.0371  57.189    15.194    59.130    22.705    55.615    20.447    19.449  4.4543  19.031  4.1298  0.4177189      6.074198 
1 1 1 17  -29 16 o 13.945  3.1919  29.433    13.576    35.230    20.525    24.925    18.101    14.957  4.6400  12.934  4.3845  2.023622       6.383823 
1 1 1 17  -29 17 o 16.216  3.1538  41.180    14.068    47.364    21.310    36.404    18.730    17.229  4.5502  15.202  4.3682  2.026620       6.307584 
1 1 1 17  -29 18 o 19.939  2.9807  61.921    15.631    87.588    22.997    39.881    21.310    24.167  3.6679  15.712  4.6994  8.455328       5.961364 
1 1 1 17  -29 19 o 11.042  3.0670  12.013    13.378    24.460    21.065    3.5983    17.320    12.859  4.6971  9.2243  3.9451  3.634496       6.134071 
1 1 1 17  -29 20 o 9.2846  2.8116  3.3215    12.335    8.0446    19.087    -0.0653   16.163    10.098  4.2209  8.4712  3.7154  1.626898       5.623227 
1 1 1 17  -29 21 f 23.820  2.8926  89.340    17.730    83.888    25.619    94.352    24.563    22.898  4.3360  24.743  3.8299  -1.845911      5.785265 
1 1 1 17  -29 22 o 13.468  3.0626  23.579    14.796    53.172    22.043    -0.6888   19.962    17.824  4.5896  9.1120  4.0564  8.712087       6.125262 
1 1 1 17  -29 23 o 12.797  3.1896  23.800    14.129    40.104    21.651    11.707    18.646    15.242  4.7716  10.351  4.2338  4.890607       6.379111 
1 1 1 17  -29 24 o 11.661  3.2445  19.540    14.966    15.521    22.031    22.983    20.393    11.181  4.5909  12.140  4.5860  -0.9588871     6.489021 
1 1 1 17  -29 25 o 20.903  3.2974  79.676    18.539    50.801    27.442    103.916   25.144    16.257  5.3976  25.549  3.7890  -9.292160      6.594748 
1 1 1 17  -29 26 o 10.794  3.1335  14.524    14.916    5.3680    22.340    21.889    20.035    9.8493  4.3424  11.739  4.5186  -1.890112      6.266904 
1 1 1 17  -29 27 o 7.8178  2.5882  -9.8567   13.525    -14.0545  20.724    -6.7420   17.851    7.8156  3.7033  7.8200  3.6167  -0.4440308E-02 5.176414 
1 1 1 17  -29 28 o 13.117  3.4850  32.270    16.718    28.408    24.679    35.545    22.727    12.562  4.9622  13.672  4.8947  -1.110330      6.970047 
1 1 1 17  -29 29 o 18.325  3.5357  65.415    18.335    83.126    26.587    49.353    25.319    21.121  4.8075  15.530  5.1859  5.591747       7.071440 
1 1 1 17  -29 30 o 17.764  3.5447  64.252    18.494    46.072    26.585    81.300    25.745    14.680  5.2898  20.849  4.7199  -6.169589      7.089430 
1 1 1 17  -29 31 o 17.574  3.6962  65.526    19.137    79.561    27.404    52.169    26.736    19.790  5.1281  15.358  5.3246  4.432239       7.392495 
1 1 1 17  -29 32 o 10.771  3.2590  18.581    16.880    25.180    23.938    12.055    23.806    11.495  4.7593  10.047  4.4534  1.447868       6.517949 
1 1 1 17  -29 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -29 34 o 14.328  3.5407  51.059    19.118    24.773    27.801    74.644    26.334    10.845  4.8095  17.811  5.1975  -6.966521      7.081334 
1 1 1 17  -29 35 o 7.9639  2.7093  -7.5526   17.010    1.3018    24.454    -15.8525  23.676    8.5089  4.0293  7.4189  3.6230  1.090060       5.418571 
1 1 1 17  -28 0  o 18.749  2.7565  53.110    13.450    68.586    19.040    37.694    19.003    21.771  3.3743  15.728  4.3596  6.042873       5.512901 
1 1 1 17  -28 1  o 9.2881  2.6195  2.0869    10.502    17.983    16.360    -9.0556   13.697    11.647  4.1546  6.9293  3.1917  4.717750       5.239045 
1 1 1 17  -28 2  o 10.650  2.8182  10.392    11.546    23.378    17.045    -0.6164   15.694    12.794  4.2543  8.5068  3.6974  4.287160       5.636477 
1 1 1 17  -28 3  o 10.087  2.7945  9.5848    11.030    13.742    16.226    6.0129    15.040    10.860  4.0935  9.3150  3.8052  1.544830       5.588968 
1 1 1 17  -28 4  o 26.175  2.4682  98.401    16.867    100.503   24.234    96.425    23.491    26.441  3.5085  25.909  3.4724  0.5313892      4.936323 
1 1 1 17  -28 5  o 22.073  2.6361  70.922    15.009    72.713    21.918    69.342    20.595    22.305  3.8054  21.842  3.6490  0.4627266      5.272212 
1 1 1 17  -28 6  o 15.633  2.8678  35.201    12.403    50.383    18.791    23.481    16.510    18.447  3.9238  12.818  4.1834  5.628552       5.735590 
1 1 1 17  -28 7  o 10.881  2.7804  10.253    12.140    -9.5201   17.770    27.561    16.625    8.0690  3.6863  13.692  4.1634  -5.623301      5.560801 
1 1 1 17  -28 8  o 10.085  2.6743  10.388    10.502    -1.5341   16.360    18.745    13.697    8.5835  3.7520  11.586  3.8118  -3.002166      5.348554 
1 1 1 17  -28 9  o 16.335  2.8181  41.390    12.900    22.036    19.224    57.242    17.398    12.753  4.5085  19.917  3.3823  -7.163771      5.636196 
1 1 1 17  -28 10 o 12.797  3.0464  22.289    12.239    28.406    19.163    18.074    15.906    13.939  4.5040  11.655  4.1031  2.284878       6.092718 
1 1 1 17  -28 11 o 9.4289  2.6325  7.8102    10.078    -1.2457   16.692    13.005    12.642    8.6930  3.7951  10.165  3.6494  -1.471766      5.265068 
1 1 1 17  -28 12 o 28.638  3.3201  117.029   24.995    0.0000    0.0000    117.029   24.995    ?       ?       28.638  3.3201  ?              ?        
1 1 1 17  -28 13 o 9.8167  3.7623  10.367    13.852    0.0000    0.0000    10.367    13.852    ?       ?       9.8167  3.7623  ?              ?        
1 1 1 17  -28 14 o 22.479  3.9186  74.679    22.736    0.0000    0.0000    74.679    22.736    ?       ?       22.479  3.9186  ?              ?        
1 1 1 17  -28 15 o 17.384  3.1405  32.868    16.118    91.419    29.073    6.8861    19.367    24.475  4.6038  10.293  4.2728  14.18185       6.281040 
1 1 1 17  -28 16 f 39.213  2.2136  218.629   22.969    240.901   32.751    197.072   32.221    41.294  2.9811  37.132  3.2731  4.161713       4.427203 
1 1 1 17  -28 17 o 21.386  2.8714  69.285    15.796    61.643    22.764    76.380    21.936    20.039  4.3647  22.733  3.7322  -2.693695      5.742820 
1 1 1 17  -28 18 o 13.803  3.1876  28.759    13.490    28.460    20.544    28.985    17.888    13.788  4.6709  13.819  4.3390  -0.3062248E-01 6.375299 
1 1 1 17  -28 19 o 11.575  2.8787  16.117    12.808    -4.9161   19.803    31.245    16.794    8.8907  3.9930  14.259  4.1478  -5.368207      5.757398 
1 1 1 17  -28 20 o 9.7323  2.8528  6.5584    12.332    0.9534    18.546    11.000    16.511    9.2253  4.0145  10.239  4.0543  -1.013960      5.705605 
1 1 1 17  -28 21 o 29.011  2.5295  124.682   19.167    138.265   27.771    112.325   26.486    30.632  3.4444  27.390  3.7053  3.241793       5.058999 
1 1 1 17  -28 22 o 17.489  2.8970  45.745    15.292    86.777    22.929    12.871    20.523    23.960  3.6913  11.017  4.4661  12.94281       5.794100 
1 1 1 17  -28 23 o 34.989  2.4110  183.042   22.112    164.697   31.900    200.008   30.677    33.010  3.6701  36.967  3.1276  -3.956875      4.821941 
1 1 1 17  -28 24 o 26.557  2.7346  109.535   18.798    106.462   27.503    112.230   25.753    26.002  4.0835  27.111  3.6382  -1.109001      5.469126 
1 1 1 17  -28 25 o 11.186  3.1400  16.404    14.031    15.119    20.761    17.483    19.037    11.098  4.4942  11.275  4.3864  -0.1772442     6.279958 
1 1 1 17  -28 26 o 14.687  3.3207  36.048    15.567    53.783    22.967    20.978    21.172    17.509  4.7683  11.864  4.6230  5.645432       6.641463 
1 1 1 17  -28 27 o 14.827  3.3423  39.258    16.393    19.852    23.960    56.335    22.476    11.764  4.8039  17.890  4.6483  -6.126638      6.684622 
1 1 1 17  -28 28 o 31.546  2.6085  159.318   21.463    146.009   30.858    171.789   29.871    29.899  3.9499  33.193  3.4082  -3.294239      5.217001 
1 1 1 17  -28 29 o 11.177  3.1343  15.073    15.049    34.358    22.134    -1.5038   20.521    13.574  4.8335  8.7796  3.9917  4.794295       6.268697 
1 1 1 17  -28 30 o 14.514  3.4049  40.385    17.148    19.141    24.921    59.485    23.631    11.337  4.7857  17.692  4.8446  -6.354899      6.809788 
1 1 1 17  -28 31 o 12.897  3.2205  27.692    16.298    1.4661    23.210    53.206    22.892    9.2927  4.2328  16.500  4.8549  -7.207655      6.441026 
1 1 1 17  -28 32 o 15.741  3.0450  42.987    17.074    88.226    24.892    2.7896    23.464    22.131  4.3543  9.3503  4.2578  12.78115       6.090044 
1 1 1 17  -28 33 o 7.7234  2.6003  -18.5344  15.118    4.6609    22.142    -38.7878  20.691    9.2239  4.1750  6.2229  3.1010  3.001030       5.200669 
1 1 1 17  -28 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -28 35 o 14.325  5.4162  55.515    28.461    0.0000    0.0000    55.515    28.461    ?       ?       14.325  5.4162  ?              ?        
1 1 1 17  -28 36 o 13.522  3.7276  53.073    20.455    72.338    29.362    34.906    28.513    15.702  5.5696  11.343  4.9558  4.358765       7.455251 
1 1 1 17  -27 0  o 28.776  2.2552  117.183   16.978    103.763   23.963    130.709   24.057    27.008  3.3871  30.544  2.9784  -3.536407      4.510366 
1 1 1 17  -27 1  o 31.895  2.2215  143.942   18.434    117.919   26.028    170.133   26.112    28.810  3.4409  34.980  2.8106  -6.169825      4.442935 
1 1 1 17  -27 2  o 14.077  2.8237  29.275    11.363    21.991    16.766    35.464    15.455    12.603  4.2200  15.551  3.7531  -2.948844      5.647470 
1 1 1 17  -27 3  o 25.970  2.2604  95.143    15.385    93.449    21.903    96.792    21.614    25.716  3.2526  26.224  3.1397  -0.5071583     4.520709 
1 1 1 17  -27 4  f 16.331  4.2123  39.505    18.547    0.0000    0.0000    39.505    18.547    ?       ?       16.331  4.2123  ?              ?        
1 1 1 17  -27 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -27 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -27 7  o 39.072  4.7619  223.947   48.804    223.947   48.804    0.0000    0.0000    39.072  4.7619  ?       ?       ?              ?        
1 1 1 17  -27 8  o 21.499  2.9157  69.803    15.968    86.193    21.740    50.601    23.530    24.653  3.3814  18.346  4.7508  6.306572       5.831329 
1 1 1 17  -27 9  o 21.707  2.7148  68.123    15.196    70.909    22.012    65.587    21.004    22.134  3.8528  21.279  3.8258  0.8547783      5.429636 
1 1 1 17  -27 10 o 25.681  2.4686  93.886    16.444    105.571   23.536    82.742    22.984    27.354  3.2776  24.009  3.6925  3.345469       4.937267 
1 1 1 17  -27 11 o 28.577  2.3642  115.409   17.753    116.544   25.245    114.299   24.972    28.717  3.3447  28.437  3.3423  0.2797928      4.728393 
1 1 1 17  -27 12 o 22.836  2.6240  75.867    15.338    64.142    21.980    86.996    21.415    20.907  4.0714  24.765  3.3112  -3.857864      5.247930 
1 1 1 17  -27 13 o 24.290  2.5885  84.813    16.016    106.720   23.338    65.310    22.020    27.485  3.2318  21.095  4.0443  6.389639       5.176968 
1 1 1 17  -27 14 f 20.629  2.8230  62.431    15.025    68.768    21.631    56.523    20.885    21.718  3.8600  19.539  4.1204  2.178543       5.645968 
1 1 1 17  -27 15 o 26.007  2.5332  97.496    17.078    88.256    24.366    106.419   23.945    24.661  3.8118  27.353  3.3374  -2.692680      5.066353 
1 1 1 17  -27 16 f 23.986  2.5621  83.084    15.807    97.619    22.874    69.800    21.868    26.154  3.3417  21.817  3.8845  4.336409       5.124118 
1 1 1 17  -27 17 o 29.189  2.6216  120.252   19.678    95.699    25.847    154.109   30.351    25.577  3.8959  32.800  3.5091  -7.223034      5.243235 
1 1 1 17  -27 18 o 25.072  5.8370  101.850   38.465    101.850   38.465    0.0000    0.0000    25.072  5.8370  ?       ?       ?              ?        
1 1 1 17  -27 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -27 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -27 21 o 15.259  4.4464  36.144    19.285    0.0000    0.0000    36.144    19.285    ?       ?       15.259  4.4464  ?              ?        
1 1 1 17  -27 22 o 18.290  3.1549  52.996    15.436    44.255    22.206    61.170    21.473    16.637  4.7488  19.942  4.1549  -3.305098      6.309840 
1 1 1 17  -27 23 o 29.014  2.5415  125.545   19.151    115.460   27.957    134.462   26.287    27.674  3.8782  30.353  3.2858  -2.679583      5.083011 
1 1 1 17  -27 24 o 32.161  2.4012  151.311   20.216    177.225   30.036    129.848   27.335    34.788  3.2615  29.534  3.5251  5.253870       4.802477 
1 1 1 17  -27 25 o 27.346  2.6767  115.080   18.803    99.614    27.146    129.343   26.070    25.200  4.1674  29.492  3.3602  -4.292021      5.353371 
1 1 1 17  -27 26 o 16.915  3.2203  48.324    16.213    25.600    23.136    70.247    22.726    12.904  4.8822  20.925  4.2006  -8.021258      6.440596 
1 1 1 17  -27 27 o 13.461  3.3501  30.245    15.043    27.326    21.289    33.157    21.261    12.960  4.7239  13.962  4.7517  -1.001910      6.700232 
1 1 1 17  -27 28 o 28.912  2.6573  132.145   20.017    124.088   28.608    139.873   28.017    27.820  3.9502  30.005  3.5553  -2.184668      5.314509 
1 1 1 17  -27 29 o 19.243  3.3481  66.901    17.343    55.521    25.210    77.124    23.896    17.166  5.1060  21.320  4.3322  -4.153812      6.696215 
1 1 1 17  -27 30 o 11.079  3.1105  14.975    14.780    32.196    21.447    -0.6015   20.397    13.290  4.7552  8.8679  4.0111  4.422280       6.220932 
1 1 1 17  -27 31 o 17.077  3.4310  56.308    17.134    40.766    24.458    71.290    24.012    14.331  5.0832  19.823  4.6097  -5.492020      6.862092 
1 1 1 17  -27 32 o 13.930  3.4017  36.950    17.280    14.685    24.894    57.653    24.005    10.747  4.6638  17.113  4.9533  -6.366565      6.803440 
1 1 1 17  -27 33 o 10.034  3.1353  9.9577    16.598    7.0793    23.949    12.618    23.023    9.8038  4.3979  10.265  4.4699  -0.4612150     6.270699 
1 1 1 17  -27 34 o 6.9984  2.4199  -25.8398  15.157    -33.4881  21.774    -18.6497  21.111    6.6708  3.2996  7.3259  3.5406  -0.6550503     4.839710 
1 1 1 17  -27 35 o 9.3062  4.3253  2.7345    26.007    2.7345    26.007    0.0000    0.0000    9.3062  4.3253  ?       ?       ?              ?        
1 1 1 17  -27 36 o 9.7706  4.4534  12.368    25.745    0.0000    0.0000    12.368    25.745    ?       ?       9.7706  4.4534  ?              ?        
1 1 1 17  -27 37 o 8.5380  2.8800  -0.7667   18.398    -5.7187   26.594    3.7790    25.479    8.2975  4.0011  8.7786  4.1436  -0.4810562     5.760072 
1 1 1 17  -26 0  o 36.416  2.3756  182.220   22.320    201.140   36.544    170.963   28.189    37.760  3.6592  35.073  3.0304  2.687382       4.751127 
1 1 1 17  -26 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -26 2  o 23.844  5.1780  85.217    32.122    85.217    32.122    0.0000    0.0000    23.844  5.1780  ?       ?       ?              ?        
1 1 1 17  -26 3  o 36.849  2.0159  187.690   19.705    176.276   27.953    198.966   27.783    35.689  2.9507  38.010  2.7474  -2.320530      4.031709 
1 1 1 17  -26 4  o 11.960  2.0464  14.826    9.6355    -20.6774  14.297    44.376    13.043    6.1377  2.9533  17.782  2.8335  -11.64477      4.092742 
1 1 1 17  -26 5  o 34.642  2.0619  165.964   18.943    159.791   26.771    172.153   26.807    33.971  2.9721  35.312  2.8588  -1.340542      4.123809 
1 1 1 17  -26 6  o 56.039  2.0230  431.559   30.304    423.551   42.973    439.479   42.740    55.467  2.9026  56.611  2.8187  -1.143929      4.045987 
1 1 1 17  -26 7  o 23.438  2.5272  77.746    15.243    91.365    22.155    65.502    21.006    25.506  3.3217  21.371  3.8095  4.135048       5.054311 
1 1 1 17  -26 8  o 27.615  2.2550  106.778   16.306    97.584    23.131    115.859   22.989    26.358  3.3521  28.872  3.0173  -2.514153      4.510065 
1 1 1 17  -26 9  o 18.468  2.8370  49.627    13.733    63.654    19.802    36.629    19.062    21.114  3.6326  15.822  4.3588  5.291816       5.674003 
1 1 1 17  -26 10 o 61.867  2.1000  526.728   34.798    526.598   49.088    526.858   49.337    61.864  2.9624  61.871  2.9771  -0.7080078E-02 4.199921 
1 1 1 17  -26 11 o 21.866  2.7481  68.864    15.494    67.735    22.261    69.925    21.579    21.651  3.9855  22.081  3.7848  -0.4297256     5.496248 
1 1 1 17  -26 12 o 34.169  2.1590  163.150   19.375    184.814   27.294    141.144   27.508    36.580  2.8071  31.758  3.2812  4.821936       4.318069 
1 1 1 17  -26 13 o 10.446  2.7734  10.505    10.710    18.866    16.256    4.0931    14.236    11.982  4.1521  8.9103  3.6781  3.071331       5.546890 
1 1 1 17  -26 14 o 27.879  2.3214  109.300   17.000    111.539   24.216    107.125   23.870    28.169  3.2704  27.589  3.2953  0.5794201      4.642726 
1 1 1 17  -26 15 o 13.057  2.7504  24.348    11.363    8.7130    17.218    36.413    15.125    10.297  4.1198  15.816  3.6450  -5.519189      5.500798 
1 1 1 17  -26 16 o 47.849  2.0651  317.572   26.332    328.368   37.602    307.181   36.888    48.662  2.8980  47.036  2.9427  1.626057       4.130147 
1 1 1 17  -26 17 o 43.842  2.0915  267.545   24.415    269.528   34.770    265.617   34.292    43.997  2.9679  43.686  2.9478  0.3104668      4.183035 
1 1 1 17  -26 18 o 36.155  2.1461  182.884   20.580    189.917   29.667    176.359   28.572    36.829  3.0344  35.482  3.0357  1.347603       4.292211 
1 1 1 17  -26 19 o 12.606  3.1133  21.510    12.856    23.072    19.472    20.303    17.118    12.975  4.5416  12.236  4.2595  0.7389536      6.226531 
1 1 1 17  -26 20 o 10.226  2.8824  8.4391    11.975    15.008    17.876    3.0903    16.130    11.328  4.2900  9.1239  3.8507  2.203771       5.764772 
1 1 1 17  -26 21 f 20.661  2.8836  68.451    15.557    31.291    22.601    101.914   21.447    14.530  4.8994  26.792  3.0427  -12.26212      5.767292 
1 1 1 17  -26 22 o 12.927  5.3441  15.374    30.117    15.374    30.117    0.0000    0.0000    12.927  5.3441  ?       ?       ?              ?        
1 1 1 17  -26 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -26 24 o 17.109  3.2660  51.730    17.363    14.590    30.319    69.856    21.181    12.660  5.3078  21.558  3.8072  -8.898484      6.532092 
1 1 1 17  -26 25 o 18.466  3.1447  54.110    15.521    65.928    22.366    43.130    21.557    20.590  4.1977  16.342  4.6836  4.248770       6.289473 
1 1 1 17  -26 26 o 16.007  3.2197  41.957    14.789    32.274    21.382    50.837    20.476    14.185  4.7655  17.829  4.3307  -3.643807      6.439307 
1 1 1 17  -26 27 o 16.498  3.3281  45.612    15.429    44.518    22.458    46.590    21.233    16.241  4.8167  16.754  4.5940  -0.5133343     6.656260 
1 1 1 17  -26 28 o 23.007  3.0154  85.486    17.863    96.242    25.700    75.432    24.847    24.642  4.0332  21.371  4.4838  3.271549       6.030848 
1 1 1 17  -26 29 o 20.319  3.2116  70.018    17.054    75.895    24.421    64.424    23.825    21.293  4.4263  19.346  4.6545  1.947285       6.423109 
1 1 1 17  -26 30 o 26.405  2.8196  112.951   19.253    125.725   28.022    101.530   26.497    27.993  3.8384  24.818  4.1314  3.175390       5.639300 
1 1 1 17  -26 31 o 15.171  3.4494  42.431    16.440    57.175    24.072    29.543    22.505    17.474  4.9292  12.867  4.8266  4.607516       6.898754 
1 1 1 17  -26 32 o 10.677  3.1952  14.465    15.891    9.7152    22.991    18.810    21.989    10.186  4.4502  11.169  4.5862  -0.9829273     6.390433 
1 1 1 17  -26 33 o 16.341  3.4446  51.460    17.727    78.526    26.045    28.098    24.197    20.368  4.8447  12.315  4.8981  8.052427       6.889266 
1 1 1 17  -26 34 o 17.569  3.5007  64.492    19.576    32.970    28.181    93.886    27.213    12.722  5.2042  22.416  4.6834  -9.693803      7.001308 
1 1 1 17  -26 35 o 9.0913  2.9651  -2.8169   17.195    13.908    24.862    -18.1523  23.807    10.370  4.5759  7.8127  3.7719  2.557050       5.930111 
1 1 1 17  -26 36 o 9.2708  4.3370  1.2849    26.841    1.2849    26.841    0.0000    0.0000    9.2708  4.3370  ?       ?       ?              ?        
1 1 1 17  -26 37 o 15.190  5.5719  64.062    29.686    0.0000    0.0000    64.062    29.686    ?       ?       15.190  5.5719  ?              ?        
1 1 1 17  -26 38 o 10.721  3.3067  20.951    20.268    -14.4275  29.086    54.345    28.258    8.0593  3.9524  13.382  5.3024  -5.322805      6.613393 
1 1 1 17  -25 0  o 58.998  2.0565  477.714   32.411    456.564   45.873    498.797   45.799    57.623  2.9824  60.373  2.8322  -2.750263      4.112919 
1 1 1 17  -25 1  o 65.694  2.0849  591.370   36.680    581.411   51.970    601.256   51.778    65.127  2.9792  66.261  2.9174  -1.133469      4.169754 
1 1 1 17  -25 2  o 10.498  2.6813  11.559    10.069    20.203    14.704    3.9256    13.817    12.174  3.9466  8.8227  3.6307  3.351264       5.362561 
1 1 1 17  -25 3  o 8.1659  2.4026  1.8235    8.8791    -3.3800   12.972    6.4102    12.179    7.4874  3.3046  8.8445  3.4884  -1.357116      4.805171 
1 1 1 17  -25 4  o 32.263  2.1024  143.930   17.817    165.318   25.475    123.448   24.929    34.696  2.7641  29.829  3.1687  4.867434       4.204873 
1 1 1 17  -25 5  o 34.827  2.0250  166.863   18.720    168.748   26.373    164.948   26.576    35.036  2.8346  34.618  2.8926  0.4175606      4.049942 
1 1 1 17  -25 6  o 41.245  2.0153  233.593   22.115    242.062   31.296    225.146   31.254    42.014  2.7970  40.477  2.9021  1.537403       4.030538 
1 1 1 17  -25 7  o 42.871  1.9785  252.015   22.589    244.909   31.823    259.233   32.070    42.248  2.8285  43.493  2.7673  -1.244984      3.957048 
1 1 1 17  -25 8  o 47.126  2.0025  304.481   25.141    289.280   35.262    320.197   35.855    45.906  2.8824  48.345  2.7806  -2.439461      4.004989 
1 1 1 17  -25 9  o 43.215  2.0101  256.393   23.134    251.604   32.693    261.197   32.741    42.799  2.8684  43.630  2.8167  -0.8309669     4.020149 
1 1 1 17  -25 10 o 39.749  2.0405  217.307   21.568    209.412   30.356    225.355   30.650    39.002  2.9272  40.497  2.8437  -1.495464      4.081092 
1 1 1 17  -25 11 o 13.775  2.8867  26.199    11.583    35.109    17.303    18.965    15.591    15.560  4.0957  11.991  4.0691  3.569649       5.773377 
1 1 1 17  -25 12 o 42.876  2.0329  253.484   23.143    271.655   32.496    234.785   32.966    44.497  2.7399  41.255  3.0039  3.242229       4.065771 
1 1 1 17  -25 13 o 29.330  2.2154  119.817   17.087    128.853   24.179    110.802   24.150    30.492  2.9993  28.167  3.2613  2.325094       4.430789 
1 1 1 17  -25 14 f 41.534  2.0333  237.716   22.467    227.167   31.544    248.577   32.007    40.576  2.9219  42.493  2.8283  -1.916344      4.066554 
1 1 1 17  -25 15 o 25.093  2.4151  89.140    15.699    79.010    22.310    99.075    22.094    23.565  3.6530  26.621  3.1602  -3.056402      4.830235 
1 1 1 17  -25 16 o 43.697  2.0532  264.593   23.716    228.228   33.355    301.772   33.727    40.549  3.0944  46.846  2.6993  -6.296917      4.106321 
1 1 1 17  -25 17 o 45.942  2.0380  291.676   24.949    298.406   35.519    285.122   35.051    46.474  2.8674  45.410  2.8969  1.064064       4.076021 
1 1 1 17  -25 18 o 35.639  2.1417  176.872   20.238    176.767   29.122    176.971   28.144    35.604  3.0842  35.674  2.9725  -0.7059097E-01 4.283453 
1 1 1 17  -25 19 o 18.723  2.8586  51.761    13.883    48.900    20.468    54.199    18.893    18.147  4.2805  19.300  3.7900  -1.153452      5.717237 
1 1 1 17  -25 20 o 44.025  2.0527  269.690   24.061    267.308   34.399    271.972   33.669    43.808  2.9487  44.242  2.8564  -0.4340134     4.105400 
1 1 1 17  -25 21 o 19.128  2.9181  54.250    14.488    57.126    21.251    51.753    19.804    19.590  4.1776  18.666  4.0754  0.9241314      5.836164 
1 1 1 17  -25 22 o 43.170  2.0752  261.204   23.829    255.820   34.216    266.274   33.205    42.687  3.0119  43.654  2.8555  -0.9679527     4.150374 
1 1 1 17  -25 23 o 48.168  2.0886  326.375   26.789    317.448   38.371    334.864   37.418    47.461  3.0343  48.876  2.8708  -1.415039      4.177192 
1 1 1 17  -25 24 o 37.688  3.1442  202.307   31.450    202.307   31.450    0.0000    0.0000    37.688  3.1442  ?       ?       ?              ?        
1 1 1 17  -25 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -25 26 o 9.7342  3.0151  1.1050    14.785    -12.3306  26.457    7.2059    17.828    9.5766  4.4199  9.8919  4.1023  -0.3153324     6.030293 
1 1 1 17  -25 27 o 31.146  2.4196  142.889   19.789    157.471   28.653    129.590   27.364    32.764  3.3103  29.527  3.5299  3.237072       4.839257 
1 1 1 17  -25 28 o 13.559  3.2701  29.124    14.668    20.100    21.458    37.039    20.095    12.090  4.6699  15.029  4.5789  -2.938395      6.540214 
1 1 1 17  -25 29 o 11.591  3.1663  17.351    14.567    6.2325    20.923    27.812    20.294    10.041  4.3163  13.141  4.6337  -3.100506      6.332533 
1 1 1 17  -25 30 o 11.667  3.2747  18.762    15.466    12.428    22.021    24.927    21.727    10.807  4.5268  12.528  4.7332  -1.721031      6.549411 
1 1 1 17  -25 31 o 22.761  3.2161  92.302    18.947    58.488    27.346    123.524   26.277    17.458  5.3458  28.064  3.5771  -10.60577      6.432215 
1 1 1 17  -25 32 o 10.360  3.0110  6.8842    14.764    29.738    21.754    -12.6293  20.102    12.917  4.7650  7.8033  3.6824  5.113293       6.022033 
1 1 1 17  -25 33 o 13.839  3.5868  37.442    17.376    39.399    25.193    35.666    23.997    14.090  5.1384  13.589  5.0059  0.5017347      7.173699 
1 1 1 17  -25 34 o 11.970  3.0895  16.593    16.371    -18.9581  23.358    50.916    22.952    7.8468  3.7755  16.094  4.8913  -8.247126      6.178936 
1 1 1 17  -25 35 o 10.816  3.3202  16.357    17.872    14.490    25.647    18.119    24.918    10.653  4.6760  10.979  4.7148  -0.3268728     6.640338 
1 1 1 17  -25 36 o 9.8558  3.0989  0.0864    17.904    31.411    26.119    -27.6774  24.590    12.286  5.0163  7.4254  3.6400  4.860889       6.197846 
1 1 1 17  -25 37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -25 38 o 14.248  3.9044  59.894    22.989    37.108    33.332    80.566    31.749    11.708  5.2246  16.788  5.8034  -5.080914      7.808724 
1 1 1 17  -25 39 o 10.893  3.4283  30.782    20.970    11.510    29.622    50.145    29.691    9.3351  4.4246  12.451  5.2380  -3.115908      6.856685 
1 1 1 17  -24 0  o 23.541  2.2535  77.180    13.829    81.637    19.743    72.886    19.377    24.240  3.1127  22.843  3.2595  1.396894       4.507043 
1 1 1 17  -24 1  o 50.222  1.9671  344.593   26.358    345.645   37.347    343.549   37.206    50.299  2.7829  50.146  2.7810  0.1525726      3.934259 
1 1 1 17  -24 2  o 22.493  2.2835  70.777    13.323    66.232    19.066    75.114    18.625    21.729  3.3861  23.257  3.0644  -1.527662      4.566903 
1 1 1 17  -24 3  o 45.191  1.9045  278.851   22.937    270.895   32.560    286.689   32.316    44.533  2.7431  45.849  2.6427  -1.315979      3.808969 
1 1 1 17  -24 4  o 39.985  1.9642  218.664   20.905    221.020   29.700    216.350   29.431    40.201  2.7753  39.770  2.7803  0.4305000      3.928407 
1 1 1 17  -24 5  o 37.337  1.9512  190.799   19.368    196.327   27.347    185.236   27.434    37.896  2.7120  36.778  2.8061  1.118053       3.902446 
1 1 1 17  -24 6  o 22.035  2.4934  70.545    13.648    45.678    19.399    94.916    19.205    17.803  4.1457  26.267  2.7715  -8.464058      4.986771 
1 1 1 17  -24 7  o 56.992  1.9959  443.198   30.385    420.945   42.828    465.749   43.115    55.491  2.8915  58.493  2.7519  -3.002079      3.991727 
1 1 1 17  -24 8  o 40.703  1.9900  226.766   21.560    227.878   30.336    225.632   30.647    40.812  2.7919  40.595  2.8363  0.2162590      3.979906 
1 1 1 17  -24 9  o 16.065  2.6428  36.184    11.720    57.115    17.306    18.455    15.928    20.159  3.3207  11.971  4.1121  8.188580       5.285505 
1 1 1 17  -24 10 o 31.015  2.1117  132.674   17.297    140.642   24.478    124.726   24.445    31.981  2.8887  30.048  3.0809  1.933334       4.223330 
1 1 1 17  -24 11 o 38.593  1.9965  204.335   20.480    210.324   28.742    198.158   29.190    39.192  2.7555  37.994  2.8900  1.197926       3.993099 
1 1 1 17  -24 12 o 54.934  2.0198  413.176   29.605    415.594   41.360    410.635   42.395    55.118  2.8109  54.750  2.9013  0.3680153      4.039629 
1 1 1 17  -24 13 o 13.811  2.8835  27.061    11.387    27.985    16.628    26.245    15.625    14.024  4.1410  13.599  4.0137  0.4247551      5.766946 
1 1 1 17  -24 14 o 15.139  2.8297  32.973    11.661    36.455    16.904    29.812    16.107    15.875  3.9822  14.403  4.0212  1.471874       5.659345 
1 1 1 17  -24 15 o 7.9071  2.3553  -4.4768   9.1590    10.038    14.041    -15.2266  12.084    9.9542  3.7944  5.8599  2.7914  4.094368       4.710546 
1 1 1 17  -24 16 o 43.440  1.9691  259.155   22.787    264.595   32.493    253.890   31.963    43.893  2.7782  42.987  2.7911  0.9055405      3.938104 
1 1 1 17  -24 17 o 14.479  2.9221  29.811    12.010    37.237    17.652    23.411    16.388    15.984  4.1025  12.975  4.1622  3.008638       5.844188 
1 1 1 17  -24 18 o 23.332  2.5308  80.061    14.702    56.973    21.482    100.402   20.164    19.758  4.1891  26.905  2.8410  -7.147026      5.061629 
1 1 1 17  -24 19 f 42.150  1.9961  245.459   22.377    239.327   32.192    251.193   31.127    41.600  2.9074  42.700  2.7359  -1.099617      3.992293 
1 1 1 17  -24 20 o 18.892  2.7984  52.614    13.668    46.330    20.153    57.967    18.600    17.698  4.2948  20.086  3.5888  -2.388033      5.596900 
1 1 1 17  -24 21 o 31.852  2.1610  142.105   18.169    136.302   26.155    147.518   25.259    31.164  3.1778  32.541  2.9294  -1.377035      4.322018 
1 1 1 17  -24 22 o 59.166  2.0832  485.858   32.948    498.928   47.424    473.663   45.809    59.963  2.9528  58.369  2.9395  1.593845       4.166459 
1 1 1 17  -24 23 o 61.512  2.0844  526.524   34.338    537.771   48.954    515.630   48.178    62.164  2.9401  60.859  2.9555  1.305244       4.168840 
1 1 1 17  -24 24 o 17.671  3.0601  47.386    14.358    46.126    20.911    48.509    19.750    17.394  4.4655  17.948  4.1853  -0.5535698     6.120288 
1 1 1 17  -24 25 o 50.984  2.0982  366.384   28.499    352.528   40.608    379.833   40.007    49.961  3.0491  52.007  2.8833  -2.045692      4.196450 
1 1 1 17  -24 26 o 12.920  4.6987  23.195    21.046    23.195    21.046    0.0000    0.0000    12.920  4.6987  ?       ?       ?              ?        
1 1 1 17  -24 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -24 28 o 31.146  2.4632  143.057   20.175    151.309   29.276    135.595   27.841    32.018  3.4692  30.274  3.4978  1.744444       4.926463 
1 1 1 17  -24 29 o 13.224  3.2177  26.235    14.817    11.331    21.515    39.680    20.435    10.893  4.5111  15.556  4.5898  -4.662965      6.435494 
1 1 1 17  -24 30 o 20.239  3.2554  68.280    17.277    62.149    24.705    74.149    24.171    19.119  4.8243  21.359  4.3722  -2.240105      6.510821 
1 1 1 17  -24 31 o 8.9846  2.7554  -6.6442   13.760    18.022    19.861    -29.4156  19.083    11.360  4.4629  6.6096  3.2330  4.750167       5.510883 
1 1 1 17  -24 32 o 12.080  3.3330  21.177    16.225    34.715    23.370    8.5798    22.542    13.884  4.9642  10.276  4.4488  3.607520       6.665977 
1 1 1 17  -24 33 o 8.8453  2.8583  -2.9736   15.165    -6.2751   21.817    0.1132    21.096    8.6225  3.9915  9.0681  4.0924  -0.4455929     5.716649 
1 1 1 17  -24 34 o 13.183  3.5260  33.140    17.060    33.252    24.419    33.033    23.845    13.191  5.0097  13.176  4.9631  0.1560497E-01  7.051952 
1 1 1 17  -24 35 o 7.8372  2.6406  -21.1573  15.919    1.6512    22.459    -44.1849  22.566    9.2112  4.1833  6.4631  3.2236  2.748085       5.281261 
1 1 1 17  -24 36 o 15.867  3.8819  57.232    21.269    38.379    30.194    75.800    29.966    13.231  5.3969  18.502  5.5814  -5.270383      7.763898 
1 1 1 17  -24 37 o 11.651  3.4177  22.803    19.186    45.135    26.676    -1.1274   27.615    13.975  5.2524  9.3258  4.3743  4.649510       6.835392 
1 1 1 17  -24 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -24 39 o 9.6986  3.1341  -3.3762   20.380    -48.7906  28.289    45.633    29.387    6.8253  3.4327  12.572  5.2447  -5.746588      6.268184 
1 1 1 17  -23 0  o 42.078  1.9261  241.672   21.568    253.084   30.422    230.140   30.583    43.102  2.6479  41.053  2.7979  2.048649       3.852240 
1 1 1 17  -23 1  o 31.425  1.9992  135.673   16.527    154.090   23.516    117.699   23.231    33.601  2.6340  29.250  3.0081  4.351387       3.998330 
1 1 1 17  -23 2  o 28.558  2.0089  111.983   15.149    108.410   21.586    115.451   21.265    28.088  2.9116  29.029  2.7686  -0.9410496     4.017719 
1 1 1 17  -23 3  o 27.875  2.0011  106.697   14.671    118.264   20.954    95.576    20.547    29.404  2.6904  26.346  2.9631  3.058701       4.002268 
1 1 1 17  -23 4  o 43.196  1.9051  254.247   21.917    244.951   31.091    263.431   30.900    42.392  2.7531  44.000  2.6340  -1.608086      3.810170 
1 1 1 17  -23 5  f 31.645  1.9828  137.017   16.632    136.483   23.436    137.560   23.606    31.583  2.7994  31.706  2.8087  -0.1230640     3.965545 
1 1 1 17  -23 6  o 39.031  1.9451  208.077   20.125    186.708   28.298    229.945   28.627    36.957  2.8815  41.106  2.6137  -4.148441      3.890283 
1 1 1 17  -23 7  f 41.894  1.9489  239.334   21.739    243.839   30.533    234.701   30.960    42.308  2.7086  41.480  2.8030  0.8285103      3.897864 
1 1 1 17  -23 8  o 34.276  2.0464  160.914   18.598    166.612   26.198    155.124   26.406    34.909  2.8261  33.643  2.9605  1.266552       4.092858 
1 1 1 17  -23 9  o 32.078  2.0835  141.502   17.627    154.511   24.865    128.360   24.991    33.615  2.7868  30.541  3.0980  3.074751       4.166949 
1 1 1 17  -23 10 o 70.023  2.0935  667.555   39.265    663.746   55.469    671.380   55.589    69.820  2.9661  70.225  2.9554  -0.4045105     4.187086 
1 1 1 17  -23 11 o 23.965  2.3205  79.909    14.498    81.843    20.446    77.953    20.561    24.277  3.2241  23.653  3.3382  0.6235638      4.640919 
1 1 1 17  -23 12 o 23.424  2.2889  76.431    13.930    83.375    19.814    69.644    19.589    24.535  3.0832  22.313  3.3837  2.221848       4.577731 
1 1 1 17  -23 13 o 21.919  2.4021  67.887    13.499    57.270    19.253    78.153    18.933    20.095  3.7139  23.743  3.0474  -3.648314      4.804124 
1 1 1 17  -23 14 o 49.867  1.9519  339.605   25.969    342.955   36.809    336.286   36.643    50.115  2.7527  49.618  2.7682  0.4964790      3.903878 
1 1 1 17  -23 15 o 53.336  1.9627  388.790   27.942    387.729   39.590    389.843   39.442    53.260  2.7849  53.412  2.7664  -0.1525116     3.925386 
1 1 1 17  -23 16 o 33.178  2.0228  151.246   17.788    158.293   25.640    144.707   24.700    33.932  2.8475  32.425  2.8737  1.506683       4.045558 
1 1 1 17  -23 17 o 9.1096  2.5964  5.6687    9.7621    2.2506    15.069    8.1408    12.815    8.8898  3.7353  9.3294  3.6074  -0.4395857     5.192849 
1 1 1 17  -23 18 o 10.036  2.7328  9.4929    10.424    12.929    15.097    6.3623    14.410    10.703  3.9652  9.3687  3.7616  1.334352       5.465616 
1 1 1 17  -23 19 o 14.338  2.8695  29.130    11.672    37.340    17.159    22.059    15.923    16.022  4.0082  12.655  4.1073  3.367935       5.738997 
1 1 1 17  -23 20 o 53.737  1.9845  396.412   28.484    418.556   40.856    375.469   39.734    55.253  2.7606  52.220  2.8515  3.032806       3.968908 
1 1 1 17  -23 21 o 9.2525  2.6925  3.0403    10.982    10.973    16.243    -3.6385   14.905    10.506  4.0617  7.9986  3.5356  2.507847       5.384969 
1 1 1 17  -23 22 o 32.332  2.1104  146.104   17.991    136.462   25.977    154.991   24.940    31.226  3.1488  33.438  2.8108  -2.211674      4.220849 
1 1 1 17  -23 23 o 13.145  2.8904  23.225    12.344    7.9773    17.565    38.103    17.351    10.230  4.1369  16.059  4.0379  -5.829577      5.780896 
1 1 1 17  -23 24 o 28.889  2.3295  119.658   17.359    98.505    24.911    139.627   24.204    26.170  3.6534  31.607  2.8911  -5.436096      4.658944 
1 1 1 17  -23 25 o 22.324  2.6676  72.406    15.339    81.301    22.562    64.761    20.916    23.661  3.6796  20.986  3.8634  2.675299       5.335297 
1 1 1 17  -23 26 o 12.895  3.0417  22.336    13.072    35.288    18.756    10.102    18.228    15.238  4.3693  10.552  4.2328  4.685865       6.083373 
1 1 1 17  -23 27 o 12.067  3.1549  19.035    13.587    15.428    19.687    22.315    18.774    11.534  4.4680  12.601  4.4553  -1.067535      6.309747 
1 1 1 17  -23 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -23 29 o 11.738  3.0163  11.269    14.649    37.730    20.967    -13.9668  20.476    15.317  4.6794  8.1589  3.8073  7.158015       6.032644 
1 1 1 17  -23 30 o 14.009  3.0289  26.908    15.473    -4.5173   22.209    56.547    21.568    9.2707  4.1900  18.748  4.3749  -9.477522      6.057757 
1 1 1 17  -23 31 o 11.014  3.0844  12.231    14.542    -3.0143   20.778    26.869    20.359    9.0351  4.0710  12.992  4.6347  -3.956915      6.168718 
1 1 1 17  -23 32 o 12.374  3.3682  23.767    15.808    20.701    22.887    26.563    21.860    11.966  4.7622  12.783  4.7644  -0.8167572     6.736338 
1 1 1 17  -23 33 o 13.731  3.2011  27.990    16.675    -2.7781   23.486    59.263    23.678    9.2913  4.2421  18.171  4.7951  -8.879943      6.402217 
1 1 1 17  -23 34 o 11.322  3.3533  17.362    17.286    10.323    24.454    24.395    24.440    10.508  4.5903  12.136  4.8896  -1.627555      6.706629 
1 1 1 17  -23 35 o 13.035  3.5767  32.539    17.865    30.997    25.126    34.114    25.407    12.823  5.0253  13.247  5.0910  -0.4235735     7.153466 
1 1 1 17  -23 36 o 12.737  3.6135  30.940    19.495    17.321    27.926    43.888    27.229    11.169  4.8915  14.305  5.3202  -3.136178      7.227080 
1 1 1 17  -23 37 o 18.288  3.7938  75.833    22.674    40.274    32.462    109.704   31.682    13.262  5.5207  23.314  5.2053  -10.05199      7.587669 
1 1 1 17  -23 38 o 17.001  5.9916  77.506    33.927    77.506    33.927    0.0000    0.0000    17.001  5.9916  ?       ?       ?              ?        
1 1 1 17  -23 39 o 19.156  4.2812  71.217    21.413    0.0000    0.0000    71.217    21.413    ?       ?       19.156  4.2812  ?              ?        
1 1 1 17  -23 40 o 9.0442  2.9676  6.8441    14.391    26.334    30.136    1.0871    16.379    10.499  4.7981  7.5894  3.4937  2.909514       5.935272 
1 1 1 17  -22 0  o 54.266  1.9452  399.831   28.200    382.052   39.827    417.706   39.934    53.004  2.8154  55.528  2.6850  -2.524357      3.890446 
1 1 1 17  -22 1  o 44.235  1.9042  266.229   22.412    284.736   31.722    247.785   31.667    45.800  2.5966  42.670  2.7860  3.129414       3.808439 
1 1 1 17  -22 2  o 45.451  1.8951  280.634   22.965    275.857   32.539    285.375   32.416    45.058  2.7088  45.845  2.6512  -0.7870827     3.790277 
1 1 1 17  -22 3  o 54.348  1.9289  400.576   27.974    430.876   39.834    371.093   39.294    56.434  2.6353  52.262  2.8175  4.172024       3.857841 
1 1 1 17  -22 4  o 46.874  1.9014  298.333   23.763    308.712   33.666    288.029   33.545    47.699  2.6454  46.049  2.7319  1.650471       3.802833 
1 1 1 17  -22 5  o 55.650  1.9199  419.737   28.553    436.325   40.461    403.280   40.300    56.792  2.6599  54.508  2.7694  2.283573       3.839855 
1 1 1 17  -22 6  o 83.120  2.2010  938.287   48.990    916.560   69.425    959.836   69.139    82.145  3.1553  84.094  3.0695  -1.948593      4.402051 
1 1 1 17  -22 7  o 45.846  1.9274  285.412   23.559    280.301   33.079    290.674   33.560    45.427  2.7313  46.265  2.7202  -0.8382301     3.854793 
1 1 1 17  -22 8  o 38.761  1.9562  204.441   20.175    203.744   28.385    205.154   28.681    38.696  2.7566  38.826  2.7763  -0.1298332     3.912368 
1 1 1 17  -22 9  o 69.696  2.0654  658.920   38.548    673.760   54.402    643.956   54.628    70.496  2.8811  68.896  2.9603  1.600235       4.130875 
1 1 1 17  -22 10 o 18.221  2.5525  46.875    12.016    48.330    16.941    45.402    17.045    18.526  3.5432  17.916  3.6752  0.6096821      5.105010 
1 1 1 17  -22 11 o 24.363  2.2764  82.729    14.180    64.413    19.813    101.961   20.302    21.445  3.5752  27.282  2.8189  -5.836737      4.552849 
1 1 1 17  -22 12 o 10.532  2.3900  10.446    8.7686    27.019    13.338    -2.1688   11.637    13.803  3.5780  7.2612  3.1694  6.542042       4.779908 
1 1 1 17  -22 13 o 76.225  2.1296  790.400   43.468    767.847   61.295    813.216   61.652    75.117  3.0465  77.332  2.9764  -2.215195      4.259129 
1 1 1 17  -22 14 o 28.991  2.0683  116.050   15.704    101.097   22.326    130.692   22.093    27.060  3.1386  30.921  2.6945  -3.860575      4.136560 
1 1 1 17  -22 15 o 60.524  1.9724  498.020   31.972    498.891   45.552    497.175   44.885    60.570  2.8078  60.478  2.7708  0.9225464E-01  3.944762 
1 1 1 17  -22 16 o 17.503  2.6719  43.768    12.126    43.671    17.908    43.850    16.480    17.453  3.9259  17.552  3.6254  -0.9947968E-01 5.343762 
1 1 1 17  -22 17 o 21.864  2.4051  67.321    13.353    86.102    19.384    50.358    18.422    24.949  2.9583  18.779  3.7929  6.169802       4.810190 
1 1 1 17  -22 18 o 21.901  2.3969  67.161    13.581    72.174    19.926    62.812    18.560    22.678  3.3839  21.123  3.3954  1.554323       4.793716 
1 1 1 17  -22 19 o 23.816  2.3048  79.786    14.214    71.843    20.442    87.222    19.779    22.569  3.4944  25.063  3.0063  -2.494020      4.609646 
1 1 1 17  -22 20 o 23.592  2.3176  78.144    14.227    76.549    20.546    79.614    19.718    23.321  3.3883  23.863  3.1629  -0.5420494     4.635189 
1 1 1 17  -22 21 o 18.668  2.7263  51.653    13.195    36.023    19.120    65.866    18.232    15.711  4.3794  21.624  3.2482  -5.912835      5.452507 
1 1 1 17  -22 22 o 60.749  2.0350  507.418   33.104    502.435   47.154    512.261   46.486    60.435  2.9130  61.062  2.8423  -0.6268501     4.069900 
1 1 1 17  -22 23 o 28.607  2.1684  114.063   16.310    125.359   23.636    103.795   22.534    30.001  2.9808  27.212  3.1499  2.789450       4.336726 
1 1 1 17  -22 24 o 9.4470  2.7002  4.8393    10.979    -3.2417   15.501    12.975    15.553    8.1909  3.6139  10.703  4.0129  -2.512197      5.400301 
1 1 1 17  -22 25 o 7.4164  2.3968  -8.6218   10.572    -7.9115   15.814    -9.1958   14.216    7.7210  3.5080  7.1119  3.2669  0.6090913      4.793559 
1 1 1 17  -22 26 o 10.913  3.0093  12.242    12.736    9.6632    18.454    14.588    17.599    10.589  4.2550  11.237  4.2565  -0.6485271     6.018514 
1 1 1 17  -22 27 o 26.507  2.6253  103.394   17.336    139.480   25.083    70.389    23.987    31.406  3.0190  21.608  4.2958  9.797777       5.250536 
1 1 1 17  -22 28 o 17.669  3.1907  48.573    15.204    43.646    21.565    53.442    21.438    16.713  4.6483  18.625  4.3721  -1.912470      6.381383 
1 1 1 17  -22 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -22 30 o 13.370  3.2122  25.393    15.002    8.3256    21.330    42.103    21.105    10.593  4.4472  16.146  4.6362  -5.552777      6.424337 
1 1 1 17  -22 31 o 14.553  3.4833  34.680    16.206    39.085    23.279    30.538    22.574    15.284  4.9665  13.822  4.8856  1.461494       6.966694 
1 1 1 17  -22 32 f 16.689  3.6109  49.069    17.670    52.339    25.240    45.926    24.746    17.228  5.1056  16.150  5.1077  1.077694       7.221897 
1 1 1 17  -22 33 o 18.717  3.2582  63.263    18.654    24.381    26.955    99.000    25.842    12.644  5.1207  24.791  4.0302  -12.14666      6.516471 
1 1 1 17  -22 34 o 12.991  3.5251  28.208    17.721    40.779    25.520    16.500    24.627    14.654  5.1931  11.328  4.7683  3.326449       7.050159 
1 1 1 17  -22 35 o 12.667  3.5721  28.554    18.390    23.487    26.694    33.132    25.371    12.062  5.0125  13.273  5.0906  -1.210305      7.144217 
1 1 1 17  -22 36 f 8.6047  2.8783  -12.9894  17.748    -1.9302   25.054    -24.1287  25.145    9.3181  4.3008  7.8914  3.8264  1.426674       5.756546 
1 1 1 17  -22 37 o 29.404  2.9162  143.996   20.936    167.353   37.085    133.070   25.364    30.007  4.7741  28.801  3.3505  1.205612       5.832469 
1 1 1 17  -22 38 o 14.002  3.4347  42.652    16.247    32.587    31.379    46.339    18.991    12.376  5.3020  15.627  4.3677  -3.251480      6.869376 
1 1 1 17  -22 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -22 40 o 15.675  3.7540  61.125    17.901    75.836    33.864    55.420    21.088    15.447  5.8916  15.904  4.6541  -0.4570112     7.508095 
1 1 1 17  -21 0  o 78.792  2.1658  842.375   45.633    791.265   64.745    892.827   64.327    76.382  3.1647  81.201  2.9576  -4.818466      4.331568 
1 1 1 17  -21 1  o 155.818 3.2906  3337.68   137.320   3298.77   194.847   3376.07   193.557   154.878 4.6969  156.758 4.6099  -1.879349      6.581222 
1 1 1 17  -21 2  o 62.357  1.9875  525.621   33.193    522.521   47.109    528.678   46.778    62.171  2.8290  62.543  2.7923  -0.3727493     3.974969 
1 1 1 17  -21 3  o 93.723  2.3285  1190.84   58.446    1220.22   83.166    1162.16   82.152    94.873  3.2728  92.574  3.3132  2.298553       4.657037 
1 1 1 17  -21 4  o 36.996  1.9012  185.783   18.701    192.751   26.496    178.865   26.400    37.700  2.6406  36.293  2.7359  1.407177       3.802350 
1 1 1 17  -21 5  o 24.424  2.1757  82.795    13.653    66.537    19.323    99.003    19.293    21.900  3.4047  26.947  2.7098  -5.046585      4.351395 
1 1 1 17  -21 6  f 61.844  2.7635  516.555   45.777    0.0000    0.0000    516.555   45.777    ?       ?       61.844  2.7635  ?              ?        
1 1 1 17  -21 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -21 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -21 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -21 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -21 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -21 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -21 13 o 33.380  2.7502  151.791   24.370    0.0000    0.0000    151.791   24.370    ?       ?       33.380  2.7502  ?              ?        
1 1 1 17  -21 14 o 88.401  2.2650  1062.69   53.628    1051.87   75.990    1073.42   75.693    87.943  3.2260  88.859  3.1803  -0.9154587     4.530046 
1 1 1 17  -21 15 o 31.154  1.9722  132.543   16.278    136.934   23.325    128.374   22.728    31.663  2.7783  30.645  2.7998  1.018087       3.944357 
1 1 1 17  -21 16 o 27.801  2.0664  106.747   15.041    94.997    21.552    117.906   21.002    26.235  3.1287  29.367  2.7002  -3.131645      4.132833 
1 1 1 17  -21 17 o 16.937  2.6563  42.443    11.959    25.796    17.562    56.837    16.330    13.680  4.3000  20.194  3.1197  -6.513235      5.312510 
1 1 1 17  -21 18 o 47.971  1.8930  313.489   24.219    320.194   34.785    307.180   33.741    48.467  2.6901  47.476  2.6641  0.9900513      3.786016 
1 1 1 17  -21 19 f 53.300  1.9522  387.747   27.792    378.687   39.807    396.363   38.818    52.632  2.8341  53.969  2.6854  -1.336418      3.904312 
1 1 1 17  -21 20 o 72.261  2.1038  714.943   40.687    691.582   57.992    737.591   57.100    71.061  3.0469  73.462  2.9019  -2.401299      4.207656 
1 1 1 17  -21 21 o 67.544  2.0546  624.578   37.167    636.458   52.934    613.025   52.198    68.181  2.8985  66.907  2.9127  1.274101       4.109170 
1 1 1 17  -21 22 o 20.431  2.5374  59.402    13.308    70.641    19.290    49.195    18.383    22.397  3.3158  18.466  3.8418  3.931059       5.074778 
1 1 1 17  -21 23 o 27.779  2.1872  108.259   15.869    98.963    23.096    116.573   21.841    26.547  3.3208  29.011  2.8475  -2.463423      4.374473 
1 1 1 17  -21 24 o 39.530  2.0172  215.688   21.195    227.293   30.714    205.139   29.284    40.551  2.8458  38.509  2.8596  2.042145       4.034340 
1 1 1 17  -21 25 f 20.483  2.7406  61.900    14.361    52.322    21.178    70.054    19.540    18.791  4.3008  22.176  3.3979  -3.385210      5.481107 
1 1 1 17  -21 26 o 14.407  3.1591  30.046    13.558    36.308    19.716    24.427    18.675    15.599  4.4816  13.214  4.4536  2.384429       6.318161 
1 1 1 17  -21 27 o 38.035  2.1661  202.866   21.823    223.136   31.605    184.395   30.171    39.905  2.9784  36.165  3.1460  3.740921       4.332227 
1 1 1 17  -21 28 o 17.847  3.2085  48.468    15.512    60.017    22.763    38.454    21.196    19.861  4.3953  15.832  4.6754  4.028828       6.416987 
1 1 1 17  -21 29 o 7.7972  2.5442  -11.3125  12.432    -15.3970  17.432    -7.0845   17.735    7.3728  3.4637  8.2216  3.7275  -0.8487535     5.088393 
1 1 1 17  -21 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -21 31 o 12.199  3.1403  13.542    15.762    -12.8516  22.091    40.913    22.497    8.5894  3.9902  15.808  4.8501  -7.218592      6.280562 
1 1 1 17  -21 32 o 18.610  3.4501  59.472    18.324    38.075    26.295    79.675    25.550    14.995  5.2758  22.226  4.4472  -7.230853      6.900134 
1 1 1 17  -21 33 o 12.170  3.2173  15.674    16.423    42.361    23.415    -10.1666  23.041    15.545  4.9740  8.7950  4.0822  6.750401       6.434682 
1 1 1 17  -21 34 o 8.1923  2.6958  -18.3328  15.327    -42.6392  21.797    5.4361    21.555    6.5365  3.2450  9.8481  4.3057  -3.311663      5.391533 
1 1 1 17  -21 35 o 20.405  3.1869  80.165    16.155    55.271    29.767    90.559    19.234    16.384  5.6219  24.426  3.0031  -8.042540      6.373757 
1 1 1 17  -21 36 o 11.909  3.1981  22.804    12.974    29.321    24.853    20.363    15.212    12.681  4.9891  11.138  4.0026  1.543042       6.396250 
1 1 1 17  -21 37 o 8.4049  2.7072  0.8753    11.321    -2.0075   25.186    1.6052    12.673    9.2960  4.2981  7.5138  3.2929  1.782171       5.414492 
1 1 1 17  -21 38 o 8.6154  2.7550  1.8308    13.251    -16.5770  26.791    7.7929    15.247    8.4398  4.0566  8.7910  3.7289  -0.3512087     5.510029 
1 1 1 17  -21 39 o 8.3690  3.9905  -10.2727  24.825    -10.2727  24.825    0.0000    0.0000    8.3690  3.9905  ?       ?       ?              ?        
1 1 1 17  -21 40 o 8.1559  2.7250  -2.3351   12.983    3.5111    27.763    -3.9716   14.689    9.3062  4.3718  7.0057  3.2542  2.300586       5.450023 
1 1 1 17  -21 41 o 12.014  2.9288  33.472    16.381    -23.2298  31.025    55.389    19.289    7.8963  3.9115  16.132  4.3602  -8.235573      5.857572 
1 1 1 17  -20 0  o 61.761  1.9691  515.102   32.537    487.772   46.052    542.342   45.977    60.111  2.8602  63.410  2.7070  -3.299519      3.938138 
1 1 1 17  -20 1  o 56.625  2.2847  442.718   32.924    405.483   54.206    464.485   41.445    54.548  3.7325  58.702  2.6359  -4.153954      4.569435 
1 1 1 17  -20 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -20 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -20 4  o 106.602 3.1317  1580.56   83.558    1644.73   102.951   1456.69   143.037   110.239 3.4866  102.966 5.2033  7.273163       6.263436 
1 1 1 17  -20 5  o 70.786  2.0257  676.112   38.384    650.644   54.361    701.433   54.205    69.446  2.9225  72.126  2.8058  -2.680229      4.051355 
1 1 1 17  -20 6  o 56.724  1.9550  434.344   29.609    405.674   41.558    463.904   42.197    54.774  2.8424  58.673  2.6851  -3.898151      3.910083 
1 1 1 17  -20 7  o 106.399 2.5002  1532.65   71.253    1541.31   101.065   1524.09   100.473   106.698 3.5364  106.101 3.5354  0.5973129      5.000495 
1 1 1 17  -20 8  f 115.713 2.6337  1815.36   81.625    1812.22   115.716   1818.47   115.157   115.609 3.7369  115.817 3.7122  -0.2086334     5.267314 
1 1 1 17  -20 9  o 103.318 2.4223  1445.13   67.022    1416.47   94.811    1473.76   94.756    102.283 3.4607  104.354 3.3901  -2.070824      4.844518 
1 1 1 17  -20 10 o 20.780  2.4357  60.261    12.957    72.199    18.528    48.836    18.125    22.912  3.0986  18.647  3.7588  4.264757       4.871352 
1 1 1 17  -20 11 o 46.325  1.8891  290.365   23.331    279.387   32.803    301.604   33.191    45.430  2.7081  47.221  2.6347  -1.790882      3.778290 
1 1 1 17  -20 12 o 68.004  2.0125  624.624   36.657    622.784   51.862    626.461   51.819    67.903  2.8515  68.105  2.8407  -0.2023315     4.024990 
1 1 1 17  -20 13 f 37.237  1.8906  188.325   18.709    180.340   26.655    196.079   26.267    36.440  2.7511  38.034  2.5939  -1.593601      3.781150 
1 1 1 17  -20 14 o 46.545  2.1655  289.736   26.176    273.795   33.115    316.287   42.736    44.926  2.7654  48.165  3.3332  -3.239445      4.330967 
1 1 1 17  -20 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -20 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -20 17 o 63.261  2.4942  549.364   39.013    542.371   69.369    552.599   47.181    62.668  4.1563  63.855  2.7586  -1.187679      4.988425 
1 1 1 17  -20 18 o 23.514  2.2757  77.724    13.702    64.003    19.735    90.495    19.038    21.356  3.5765  25.672  2.8149  -4.315968      4.551404 
1 1 1 17  -20 19 o 33.758  2.0101  157.474   17.812    138.281   25.856    174.811   24.574    31.704  3.0838  35.812  2.5791  -4.108210      4.020162 
1 1 1 17  -20 20 o 26.943  2.1067  99.916    14.917    108.816   21.673    91.905    20.562    28.108  2.9213  25.778  3.0362  2.329979       4.213372 
1 1 1 17  -20 21 f 16.313  2.7389  37.939    12.047    51.938    17.564    25.501    16.556    19.128  3.5592  13.498  4.1639  5.629561       5.477785 
1 1 1 17  -20 22 o 52.975  1.9691  384.691   27.815    363.629   39.848    404.706   38.844    51.474  2.9020  54.476  2.6622  -3.001423      3.938113 
1 1 1 17  -20 23 o 13.115  2.9111  23.170    11.624    32.038    17.222    15.751    15.753    14.879  4.1595  11.350  4.0739  3.529006       5.822218 
1 1 1 17  -20 24 o 9.1684  2.6754  2.9719    10.870    9.8752    15.809    -3.2183   14.970    10.254  3.9950  8.0831  3.5597  2.170701       5.350853 
1 1 1 17  -20 25 o 42.060  2.0410  244.597   22.835    245.346   32.980    243.907   31.648    42.096  2.9435  42.024  2.8281  0.7151031E-01  4.081969 
1 1 1 17  -20 26 o 9.1058  2.5741  -3.1908   11.348    18.519    16.094    -24.6554  16.003    11.858  4.1301  6.3534  3.0736  5.504858       5.148251 
1 1 1 17  -20 27 o 39.083  2.1499  213.135   22.212    242.646   32.192    186.320   30.686    41.749  2.8967  36.417  3.1777  5.332066       4.299851 
1 1 1 17  -20 28 o 21.115  2.9742  67.172    16.176    57.469    23.518    75.883    22.284    19.427  4.5922  22.803  3.7810  -3.376312      5.948409 
1 1 1 17  -20 29 o 12.499  3.1940  20.657    13.964    14.113    20.127    26.731    19.391    11.460  4.4958  13.537  4.5382  -2.077203      6.388098 
1 1 1 17  -20 30 o 25.824  4.1420  100.443   27.681    100.443   27.681    0.0000    0.0000    25.824  4.1420  ?       ?       ?              ?        
1 1 1 17  -20 31 o 12.876  4.8747  22.769    23.075    0.0000    0.0000    22.769    23.075    ?       ?       12.876  4.8747  ?              ?        
1 1 1 17  -20 32 o 10.580  3.1416  8.3619    15.035    12.594    22.288    4.8281    20.368    11.213  4.6124  9.9461  4.2666  1.267054       6.283172 
1 1 1 17  -20 33 o 21.231  3.4218  75.240    19.046    87.929    28.131    64.501    25.881    23.039  4.7173  19.423  4.9580  3.616604       6.843583 
1 1 1 17  -20 34 o 16.652  3.2429  43.050    13.744    60.924    26.214    36.274    16.141    18.390  5.1286  14.914  3.9703  3.475612       6.485771 
1 1 1 17  -20 35 o 25.651  2.8305  100.955   17.840    128.086   31.732    88.416    21.572    27.527  4.4561  23.775  3.4915  3.751476       5.661084 
1 1 1 17  -20 36 o 7.8286  2.4089  0.1788    10.263    -33.8250  21.993    9.6463    11.605    6.8968  3.3932  8.7604  3.4201  -1.863566      4.817774 
1 1 1 17  -20 37 o 13.385  3.4100  30.821    14.437    45.352    27.074    25.046    17.067    14.774  5.3361  11.996  4.2472  2.777791       6.819996 
1 1 1 17  -20 38 o 13.321  3.1238  35.394    14.225    15.938    27.147    42.758    16.702    10.993  4.8185  15.648  3.9766  -4.654310      6.247530 
1 1 1 17  -20 39 o 10.937  3.2298  10.871    14.755    44.822    27.969    -2.2225   17.369    13.974  5.3484  7.8994  3.6221  6.074925       6.459514 
1 1 1 17  -20 40 o 15.511  4.4287  48.010    19.310    0.0000    0.0000    48.010    19.310    ?       ?       15.511  4.4287  ?              ?        
1 1 1 17  -20 41 o 11.935  3.3208  33.930    15.391    32.478    30.919    34.408    17.745    11.259  5.0275  12.612  4.3400  -1.353229      6.641641 
1 1 1 17  -19 0  o 44.791  2.2603  275.615   25.564    283.973   31.841    260.458   42.880    45.858  2.6030  43.725  3.6959  2.133564       4.520551 
1 1 1 17  -19 1  o 19.509  2.2770  52.689    11.481    52.319    16.352    53.050    16.125    19.433  3.2567  19.585  3.1832  -0.1518326     4.553995 
1 1 1 17  -19 2  o 24.932  2.0354  84.837    13.341    86.222    18.842    83.445    18.891    25.144  2.8480  24.721  2.9087  0.4227562      4.070843 
1 1 1 17  -19 3  o 90.772  2.2583  1111.09   54.902    1129.32   78.128    1093.32   77.167    91.509  3.1875  90.036  3.1998  1.472786       4.516561 
1 1 1 17  -19 4  o 111.165 2.5158  1669.95   74.878    1623.32   106.302   1715.88   105.489   109.608 3.6209  112.723 3.4938  -3.115753      5.031663 
1 1 1 17  -19 5  o 50.630  1.9218  345.950   25.964    342.318   36.387    349.718   37.061    50.360  2.7074  50.901  2.7283  -0.5400887     3.843649 
1 1 1 17  -19 6  o 29.580  2.2248  119.483   17.241    104.267   24.144    135.315   24.628    27.602  3.3331  31.558  2.9477  -3.955612      4.449599 
1 1 1 17  -19 7  o 162.397 3.3665  3587.59   146.428   3567.20   207.630   3607.77   206.534   161.924 4.7873  162.871 4.7343  -0.9463196     6.732913 
1 1 1 17  -19 8  o 93.210  2.3201  1172.44   57.922    1181.44   81.953    1163.46   81.876    93.570  3.2700  92.850  3.2922  0.7191925      4.640147 
1 1 1 17  -19 9  o 88.862  2.2486  1065.42   53.496    1024.44   75.336    1107.09   75.979    87.129  3.2281  90.596  3.1311  -3.467003      4.497175 
1 1 1 17  -19 10 o 62.777  1.9735  530.888   33.183    526.121   46.694    535.752   47.164    62.492  2.7896  63.061  2.7923  -0.5690269     3.946991 
1 1 1 17  -19 11 o 67.988  2.0108  623.145   36.610    607.999   51.764    638.305   51.784    67.156  2.8777  68.820  2.8093  -1.664032      4.021628 
1 1 1 17  -19 12 o 36.223  1.9062  178.054   18.329    168.497   26.143    187.292   25.704    35.246  2.7921  37.201  2.5959  -1.955399      3.812406 
1 1 1 17  -19 13 o 93.640  2.3049  1185.64   57.806    1204.28   81.992    1167.22   81.510    94.376  3.2435  92.904  3.2755  1.472115       4.609744 
1 1 1 17  -19 14 o 80.931  2.1329  884.870   46.215    920.493   65.817    850.225   64.908    82.546  2.9768  79.315  3.0553  3.231506       4.265714 
1 1 1 17  -19 15 o 73.171  2.0535  723.984   40.216    704.273   57.423    742.960   56.341    72.177  2.9703  74.164  2.8362  -1.986534      4.106908 
1 1 1 17  -19 16 o 28.191  2.0078  108.414   14.939    110.212   21.697    106.795   20.599    28.405  2.8921  27.977  2.7859  0.4283352      4.015666 
1 1 1 17  -19 17 o 100.122 2.8466  1373.27   73.201    1379.78   91.578    1361.74   121.821   100.750 3.3936  99.493  4.5713  1.256958       5.693227 
1 1 1 17  -19 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -19 19 o 31.343  2.4911  134.230   18.849    139.774   34.405    131.852   22.531    31.614  4.1644  31.073  2.7350  0.5414867      4.982255 
1 1 1 17  -19 20 o 40.476  1.9121  223.440   20.586    219.898   29.709    226.712   28.552    40.146  2.7799  40.806  2.6262  -0.6598473     3.824250 
1 1 1 17  -19 21 o 30.123  2.0454  124.562   16.279    126.952   23.722    122.435   22.380    30.383  2.9523  29.864  2.8316  0.5186710      4.090763 
1 1 1 17  -19 22 o 13.801  2.8897  26.934    11.545    22.326    16.540    31.313    16.123    12.830  4.1871  14.771  3.9838  -1.941498      5.779494 
1 1 1 17  -19 23 o 46.901  1.9760  301.165   24.695    315.766   35.502    287.479   34.373    48.013  2.7724  45.788  2.8163  2.224312       3.951922 
1 1 1 17  -19 24 o 11.028  2.8838  13.407    11.535    7.2175    16.755    18.982    15.903    10.037  4.0469  12.019  4.1095  -1.981888      5.767621 
1 1 1 17  -19 25 o 33.294  2.1576  153.646   19.008    162.813   27.441    145.191   26.355    34.266  3.0208  32.322  3.0816  1.944000       4.315284 
1 1 1 17  -19 26 o 13.767  3.0917  26.407    12.989    33.764    18.887    19.805    17.893    15.184  4.3933  12.349  4.3513  2.835217       6.183487 
1 1 1 17  -19 27 o 13.412  3.1463  23.692    13.734    36.025    20.056    12.801    18.847    15.593  4.5318  11.231  4.3657  4.362435       6.292611 
1 1 1 17  -19 28 o 19.100  3.2649  55.179    16.512    55.652    23.737    54.736    22.983    19.160  4.6682  19.039  4.5658  0.1210365      6.529884 
1 1 1 17  -19 29 o 30.515  2.5947  135.398   20.528    118.018   29.547    151.616   28.541    28.386  3.9967  32.643  3.3100  -4.256849      5.189415 
1 1 1 17  -19 30 o 42.853  2.3712  262.834   26.501    325.398   38.451    206.228   36.574    48.005  3.0056  37.700  3.6684  10.30511       4.742442 
1 1 1 17  -19 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -19 32 o 17.935  3.1749  50.711    14.485    52.545    25.836    49.870    17.492    17.762  5.1382  18.107  3.7308  -0.3452873     6.349790 
1 1 1 17  -19 33 o 28.153  2.5168  109.715   17.738    156.424   31.125    87.247    21.586    32.174  3.6778  24.131  3.4368  8.042582       5.033627 
1 1 1 17  -19 34 o 6.6750  2.3014  -24.1907  10.053    -4.0630   20.565    -30.5102  11.523    8.8639  4.0167  4.4862  2.2474  4.377666       4.602736 
1 1 1 17  -19 35 o 10.194  2.9999  10.898    12.412    11.759    24.073    10.587    14.487    10.894  4.6550  9.4931  3.7854  1.401350       5.999866 
1 1 1 17  -19 36 o 8.3503  2.6291  -10.9199  10.975    19.076    21.150    -21.9724  12.839    11.358  4.5584  5.3424  2.6212  6.015819       5.258274 
1 1 1 17  -19 37 o 11.401  3.1090  20.118    12.292    23.529    24.483    18.968    14.213    11.948  4.8650  10.854  3.8724  1.094022       6.218060 
1 1 1 17  -19 38 o 10.292  2.7747  13.239    13.290    -25.0889  24.562    29.107    15.804    7.7344  3.7574  12.850  4.0837  -5.115576      5.549357 
1 1 1 17  -19 39 o 8.7772  2.8878  -2.7766   13.987    7.4036    28.350    -6.0522   16.081    10.224  4.6650  7.3307  3.4052  2.892953       5.775613 
1 1 1 17  -19 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -19 41 o 9.9822  3.0819  16.645    14.699    14.006    29.658    17.505    16.923    10.055  4.6544  9.9093  4.0409  0.1456890      6.163791 
1 1 1 17  -18 0  o 89.989  2.2655  1092.44   54.517    1023.38   77.256    1160.93   76.941    87.134  3.3102  92.843  3.0940  -5.708694      4.531036 
1 1 1 17  -18 1  o 47.957  1.8582  310.166   23.771    300.758   33.521    319.683   33.714    47.219  2.6612  48.695  2.5942  -1.475979      3.716414 
1 1 1 17  -18 2  o 82.749  2.1537  922.094   47.716    895.847   67.654    948.075   67.310    81.570  3.0965  83.928  2.9942  -2.358566      4.307405 
1 1 1 17  -18 3  o 36.786  1.8574  182.852   18.177    178.242   25.673    187.486   25.739    36.315  2.6578  37.257  2.5954  -0.9421997     3.714876 
1 1 1 17  -18 4  o 125.463 2.7623  2126.03   92.807    2087.30   131.648   2164.30   130.855   124.314 3.9537  126.612 3.8586  -2.297745      5.524523 
1 1 1 17  -18 5  o 107.690 2.4842  1563.81   71.644    1536.12   101.509   1591.29   101.131   106.732 3.5508  108.647 3.4752  -1.915123      4.968368 
1 1 1 17  -18 6  o 19.750  2.6765  54.942    13.576    40.824    19.091    69.385    19.310    17.043  4.2075  22.458  3.3093  -5.415043      5.353008 
1 1 1 17  -18 7  o 68.209  2.0342  625.881   37.146    599.583   52.164    652.935   52.908    66.751  2.9176  69.667  2.8353  -2.915764      4.068315 
1 1 1 17  -18 8  o 82.176  2.1397  909.317   47.062    866.089   66.289    953.250   66.827    80.198  3.0859  84.154  2.9647  -3.956451      4.279341 
1 1 1 17  -18 9  o 35.362  1.9080  169.260   17.921    172.188   24.997    166.164   25.706    35.687  2.6337  35.037  2.7615  0.6500397      3.816080 
1 1 1 17  -18 10 o 55.011  1.9079  407.165   28.108    413.009   39.669    401.273   39.833    55.409  2.6729  54.612  2.7232  0.7975731      3.815719 
1 1 1 17  -18 11 o 91.385  2.2704  1126.03   55.572    1122.94   78.742    1129.10   78.439    91.258  3.2214  91.512  3.2001  -0.2540283     4.540739 
1 1 1 17  -18 12 o 35.100  1.9329  166.782   17.976    183.553   25.791    150.938   25.069    36.840  2.6310  33.360  2.8323  3.479809       3.865794 
1 1 1 17  -18 13 f 94.239  2.2920  1198.66   57.841    1233.93   82.209    1164.09   81.396    95.619  3.2099  92.859  3.2726  2.759254       4.584000 
1 1 1 17  -18 14 o 85.024  2.1780  975.451   49.595    987.548   70.726    963.748   69.565    85.541  3.0869  84.507  3.0733  1.034233       4.355936 
1 1 1 17  -18 15 o 122.437 2.7354  2034.40   89.702    2028.18   127.441   2040.51   126.284   122.242 3.8922  122.633 3.8446  -0.3909760     5.470882 
1 1 1 17  -18 16 o 76.763  2.1025  796.920   43.176    762.059   61.571    830.649   60.562    75.090  3.0613  78.437  2.8826  -3.346886      4.204907 
1 1 1 17  -18 17 o 72.394  2.0394  708.239   39.538    708.769   56.429    707.727   55.416    72.415  2.9093  72.373  2.8587  0.4184723E-01  4.078727 
1 1 1 17  -18 18 o 52.185  1.8841  368.651   26.262    359.321   37.599    377.539   36.698    51.492  2.7360  52.878  2.5911  -1.386192      3.768209 
1 1 1 17  -18 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -18 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -18 21 o 26.617  2.1540  98.659    14.881    87.561    21.848    108.264   20.325    25.116  3.3298  28.118  2.7333  -3.001650      4.307963 
1 1 1 17  -18 22 o 63.390  2.0485  547.893   34.744    526.568   49.579    568.472   48.704    62.146  2.9785  64.634  2.8133  -2.487202      4.097050 
1 1 1 17  -18 23 o 66.310  2.0832  600.738   36.991    592.913   52.676    608.352   51.959    65.867  2.9858  66.754  2.9060  -0.8873672     4.166490 
1 1 1 17  -18 24 o 55.086  2.0903  417.605   30.643    383.685   43.891    449.860   42.801    52.783  3.1183  57.388  2.7845  -4.604359      4.180621 
1 1 1 17  -18 25 o 34.666  2.2013  167.355   20.108    155.316   29.180    178.242   27.749    33.390  3.3062  35.942  2.9073  -2.551620      4.402631 
1 1 1 17  -18 26 o 13.380  3.0272  24.446    12.867    13.397    18.537    34.718    17.874    11.343  4.3511  15.417  4.2098  -4.073762      6.054347 
1 1 1 17  -18 27 o 8.4768  2.5648  -8.0041   11.770    -28.2922  16.861    11.276    16.437    6.3723  3.0998  10.581  4.0872  -4.208967      5.129649 
1 1 1 17  -18 28 o 67.493  2.2823  635.060   41.255    637.156   58.865    633.036   57.834    67.583  3.2519  67.404  3.2034  0.1789474      4.564697 
1 1 1 17  -18 29 o 7.8991  2.5469  -14.3525  12.691    -31.4113  18.389    1.1615    17.537    6.5739  3.2065  9.2243  3.9581  -2.650365      5.093894 
1 1 1 17  -18 30 o 50.827  2.0671  356.805   27.565    392.302   43.818    333.558   35.460    52.739  3.1157  48.916  2.7172  3.822998       4.134116 
1 1 1 17  -18 31 o 13.259  3.5962  21.298    17.247    16.504    21.391    30.206    29.157    11.922  4.6464  14.597  5.4902  -2.675102      7.192470 
1 1 1 17  -18 32 o 10.640  3.8440  15.076    14.052    0.0000    0.0000    15.076    14.052    ?       ?       10.640  3.8440  ?              ?        
1 1 1 17  -18 33 o 8.7852  2.7086  -2.4438   11.196    11.227    20.303    -8.4182   13.421    10.767  4.4124  6.8032  3.1428  3.963939       5.417244 
1 1 1 17  -18 34 o 22.773  3.0230  88.207    16.347    67.668    28.426    98.355    19.982    19.612  5.2898  25.934  2.9278  -6.321964      6.046030 
1 1 1 17  -18 35 o 13.528  3.0237  32.509    14.025    5.4763    25.916    43.706    16.679    10.564  4.6663  16.491  3.8466  -5.926846      6.047365 
1 1 1 17  -18 36 o 22.726  2.9510  79.022    16.558    111.427   29.167    63.613    20.113    25.728  4.3900  19.724  3.9448  6.003817       5.901972 
1 1 1 17  -18 37 o 14.089  3.4569  33.949    14.768    48.100    27.608    28.277    17.479    15.421  5.4072  12.757  4.3086  2.663152       6.913847 
1 1 1 17  -18 38 o 10.137  2.9618  13.591    12.733    3.2531    25.268    17.109    14.741    9.8170  4.4502  10.458  3.9096  -0.6407681     5.923574 
1 1 1 17  -18 39 o 17.212  3.5154  51.329    15.948    84.255    30.076    38.449    18.811    20.093  5.4503  14.332  4.4413  5.760749       7.030765 
1 1 1 17  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -18 41 o 12.930  3.4807  38.930    16.466    38.436    31.864    39.109    19.233    12.246  5.2954  13.613  4.5187  -1.367037      6.961344 
1 1 1 17  -17 0  o 53.104  1.8638  379.376   26.466    374.884   37.368    383.897   37.490    52.754  2.6530  53.454  2.6185  -0.6993027     3.727627 
1 1 1 17  -17 1  o 24.801  1.9913  83.758    12.939    75.041    18.083    92.902    18.521    23.443  2.9449  26.160  2.6811  -2.716793      3.982565 
1 1 1 17  -17 2  o 72.848  1.9841  713.300   38.695    742.191   54.911    684.799   54.538    74.318  2.7585  71.378  2.8526  2.939583       3.968210 
1 1 1 17  -17 3  o 38.354  1.8206  198.426   18.592    195.736   26.069    201.210   26.524    38.089  2.5703  38.619  2.5790  -0.5302238     3.641119 
1 1 1 17  -17 4  o 95.625  2.3017  1230.32   58.953    1226.34   83.554    1234.27   83.192    95.469  3.2675  95.781  3.2428  -0.3114853     4.603471 
1 1 1 17  -17 5  o 78.731  2.0734  833.261   43.724    827.438   61.675    839.145   61.996    78.454  2.9350  79.008  2.9296  -0.5535736     4.146870 
1 1 1 17  -17 6  o 51.993  1.8689  364.111   25.941    380.169   36.393    347.525   36.987    53.202  2.5539  50.784  2.7291  2.418411       3.737723 
1 1 1 17  -17 7  o 17.071  2.4108  40.812    10.629    32.101    14.908    49.820    15.160    15.136  3.7067  19.006  3.0836  -3.870066      4.821611 
1 1 1 17  -17 8  o 35.992  1.8973  175.100   18.078    155.115   25.236    196.166   25.910    33.855  2.8084  38.129  2.5517  -4.274220      3.794514 
1 1 1 17  -17 9  o 45.166  1.8829  276.065   22.539    310.677   31.926    241.677   31.823    48.027  2.4904  42.304  2.8247  5.722919       3.765764 
1 1 1 17  -17 10 o 134.106 2.8967  2429.74   104.030   2380.43   147.336   2478.76   146.905   132.735 4.1441  135.476 4.0484  -2.740997      5.793402 
1 1 1 17  -17 11 o 176.536 3.5702  4232.28   168.782   4338.33   239.078   4126.90   238.313   178.768 4.9930  174.304 5.1045  4.463516       7.140426 
1 1 1 17  -17 12 o 79.024  2.1052  840.429   44.541    874.115   63.530    807.862   62.465    80.585  2.9433  77.462  3.0106  3.123161       4.210329 
1 1 1 17  -17 13 o 148.250 3.1196  2979.44   123.861   3036.85   175.774   2922.81   174.565   149.680 4.3843  146.820 4.4390  2.859314       6.239118 
1 1 1 17  -17 14 o 25.533  2.3852  95.189    14.529    53.706    20.856    134.299   20.251    19.554  4.1124  31.512  2.4176  -11.95841      4.770395 
1 1 1 17  -17 15 o 56.228  1.8716  425.247   28.173    443.472   40.504    408.165   39.213    57.395  2.6347  55.060  2.6589  2.334759       3.743159 
1 1 1 17  -17 16 o 8.1993  2.4684  -0.0684   9.4725    1.2221    14.102    -1.1293   12.787    8.5753  3.6089  7.8233  3.3688  0.7520499      4.936847 
1 1 1 17  -17 17 o 42.620  1.8791  246.704   21.259    228.239   30.577    263.984   29.579    41.040  2.7983  44.199  2.5088  -3.158291      3.758274 
1 1 1 17  -17 18 o 47.460  1.9007  305.696   23.992    289.882   34.646    320.268   33.257    46.251  2.8100  48.670  2.5602  -2.418774      3.801360 
1 1 1 17  -17 19 o 33.676  1.9473  155.022   17.307    144.188   25.242    164.633   23.776    32.519  2.9294  34.833  2.5664  -2.314026      3.894626 
1 1 1 17  -17 20 o 7.9506  2.3867  -2.9383   9.6639    7.4577    12.679    -17.3507  14.929    9.2377  3.5837  6.6635  3.1533  2.574120       4.773462 
1 1 1 17  -17 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -17 22 o 50.614  2.0016  349.963   26.951    328.783   38.685    369.938   37.568    49.078  2.9567  52.149  2.6988  -3.071320      4.003201 
1 1 1 17  -17 23 o 23.772  2.4325  78.501    14.789    98.831    21.863    61.350    20.081    26.730  3.1119  20.814  3.7395  5.916721       4.864965 
1 1 1 17  -17 24 o 32.425  2.1552  144.562   18.422    162.638   26.843    128.467   25.329    34.382  2.9431  30.468  3.1492  3.914053       4.310373 
1 1 1 17  -17 25 o 21.858  2.6983  67.620    15.151    79.965    22.404    57.215    20.567    23.782  3.6324  19.935  3.9911  3.846729       5.396564 
1 1 1 17  -17 26 o 48.843  2.0902  328.532   27.207    338.239   39.117    319.436   37.866    49.541  2.9614  48.145  2.9506  1.396385       4.180443 
1 1 1 17  -17 27 o 34.648  2.2747  167.467   20.829    167.100   30.344    167.795   28.644    34.568  3.3180  34.728  3.1124  -0.1596222     4.549302 
1 1 1 17  -17 28 o 52.253  2.0213  376.391   27.785    381.614   43.302    372.735   36.227    52.387  3.0998  52.119  2.5950  0.2681694      4.042649 
1 1 1 17  -17 29 o 54.460  2.0422  409.722   29.292    422.328   45.682    400.921   38.171    54.982  3.1148  53.938  2.6421  1.043839       4.084428 
1 1 1 17  -17 30 o 50.231  2.0888  351.996   27.462    358.568   43.264    347.561   35.540    50.422  3.2203  50.040  2.6612  0.3820305      4.177577 
1 1 1 17  -17 31 o 16.588  2.9961  37.249    12.948    60.322    22.910    26.420    15.696    19.851  4.4221  13.325  4.0438  6.526142       5.992271 
1 1 1 17  -17 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -17 33 o 21.541  2.9531  71.360    15.596    73.567    26.982    70.253    19.112    21.300  4.8394  21.782  3.3859  -0.4816170     5.906263 
1 1 1 17  -17 34 o 13.839  3.2240  27.281    13.180    43.694    23.634    19.873    15.878    16.067  4.9782  11.612  4.0982  4.455130       6.448054 
1 1 1 17  -17 35 o 8.7688  2.6804  3.6633    11.040    -4.5956   20.823    6.8925    13.021    8.8480  4.0221  8.6896  3.5442  0.1584177      5.360824 
1 1 1 17  -17 36 o 23.169  3.0611  84.777    17.403    105.586   30.687    74.911    21.129    24.656  4.8194  21.682  3.7755  2.973881       6.122201 
1 1 1 17  -17 37 o 16.165  3.3017  37.729    14.634    79.609    27.867    21.783    17.196    20.743  5.0606  11.586  4.2422  9.156807       6.603460 
1 1 1 17  -17 38 o 12.070  3.0684  25.898    14.425    -2.5144   28.170    35.997    16.794    9.7809  4.5305  14.360  4.1393  -4.578859      6.136731 
1 1 1 17  -17 39 o 18.476  3.1311  76.464    18.343    21.713    33.581    99.749    21.899    11.934  5.2894  25.019  3.3523  -13.08507      6.262244 
1 1 1 17  -17 40 o 17.227  5.9893  74.594    33.838    74.594    33.838    0.0000    0.0000    17.227  5.9893  ?       ?       ?              ?        
1 1 1 17  -17 41 o 14.992  3.6224  53.496    17.699    50.580    32.762    54.698    21.033    13.608  5.5942  16.375  4.6035  -2.767371      7.244760 
1 1 1 17  -17 42 o 12.770  3.1891  42.232    17.681    -0.5943   34.455    57.541    20.600    9.2260  4.4747  16.314  4.5451  -7.088469      6.378214 
1 1 1 17  -16 0  o 28.226  1.8488  107.929   13.789    99.599    19.355    116.512   19.648    27.100  2.7026  29.352  2.5236  -2.252600      3.697675 
1 1 1 17  -16 1  o 46.381  1.7970  289.664   22.239    291.658   31.371    287.648   31.530    46.543  2.5258  46.219  2.5569  0.3249283      3.594089 
1 1 1 17  -16 2  o 67.057  1.9408  603.924   34.855    594.690   49.358    613.110   49.227    66.544  2.7692  67.570  2.7200  -1.026077      3.881602 
1 1 1 17  -16 3  o 66.015  1.9284  585.225   34.097    587.546   48.199    582.899   48.243    66.146  2.7204  65.883  2.7338  0.2629852      3.856771 
1 1 1 17  -16 4  o 80.136  2.0962  862.879   44.985    842.183   63.546    883.670   63.691    79.170  2.9967  81.102  2.9319  -1.932243      4.192406 
1 1 1 17  -16 5  o 119.667 2.6584  1928.35   85.180    1872.27   120.573   1984.22   120.352   117.921 3.8174  121.414 3.7008  -3.493759      5.316832 
1 1 1 17  -16 6  o 73.305  2.0051  721.803   39.368    714.859   55.466    728.853   55.885    72.950  2.8387  73.661  2.8325  -0.7110901     4.010102 
1 1 1 17  -16 7  o 52.441  1.8716  370.133   26.198    366.337   36.591    374.125   37.527    52.166  2.6272  52.715  2.6664  -0.5488052     3.743246 
1 1 1 17  -16 8  o 62.456  1.9510  524.161   32.603    493.825   45.910    555.025   46.309    60.627  2.8271  64.284  2.6895  -3.656746      3.902041 
1 1 1 17  -16 9  o 60.665  1.9048  494.638   30.928    474.271   43.830    514.836   43.648    59.416  2.7541  61.913  2.6320  -2.497231      3.809528 
1 1 1 17  -16 10 o 132.113 2.8365  2353.83   100.369   2344.77   142.308   2362.79   141.582   131.856 4.0294  132.370 3.9933  -0.5139465     5.672965 
1 1 1 17  -16 11 o 117.119 2.6152  1848.54   82.037    1854.39   116.447   1842.78   115.594   117.302 3.7063  116.937 3.6906  0.3645859      5.230352 
1 1 1 17  -16 12 o 87.704  2.1923  1035.01   51.492    1035.17   73.459    1034.87   72.199    87.707  3.1270  87.701  3.0735  0.5531311E-02  4.384584 
1 1 1 17  -16 13 o 7.9964  2.4060  0.0034    9.0023    -0.9387   13.404    0.7776    12.151    8.0586  3.4592  7.9343  3.3451  0.1243110      4.812009 
1 1 1 17  -16 14 o 105.964 2.4266  1513.98   68.867    1540.93   97.899    1487.59   96.894    106.900 3.4191  105.028 3.4443  1.871902       4.853170 
1 1 1 17  -16 15 o 79.847  2.1039  858.882   44.985    848.692   64.078    868.786   63.170    79.374  3.0140  80.320  2.9363  -0.9460526     4.207850 
1 1 1 17  -16 16 o 106.696 2.4445  1537.66   69.856    1533.39   99.171    1541.88   98.416    106.544 3.4751  106.848 3.4388  -0.3040771     4.888955 
1 1 1 17  -16 17 o 34.030  1.9599  156.589   17.682    166.275   25.883    148.113   24.212    35.019  2.7824  33.042  2.7611  1.977177       3.919838 
1 1 1 17  -16 18 o 117.630 2.6338  1876.60   82.972    1848.65   117.651   1904.25   117.032   116.744 3.7625  118.516 3.6867  -1.772606      5.267643 
1 1 1 17  -16 19 o 34.585  1.9796  163.309   18.078    151.829   26.319    173.564   24.875    33.390  2.9740  35.780  2.6136  -2.390717      3.959220 
1 1 1 17  -16 20 o 11.239  2.4451  11.565    9.9368    32.595    14.499    -7.0626   13.645    15.185  3.6166  7.2942  3.2917  7.890529       4.890266 
1 1 1 17  -16 21 o 52.410  2.8426  373.021   39.755    373.021   39.755    0.0000    0.0000    52.410  2.8426  ?       ?       ?              ?        
1 1 1 17  -16 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -16 23 o 46.692  2.0455  298.644   25.358    277.374   36.487    318.515   35.267    45.025  3.0434  48.359  2.7339  -3.333241      4.091022 
1 1 1 17  -16 24 f 41.036  2.0488  230.449   22.302    255.478   32.098    207.090   31.009    43.233  2.7868  38.840  3.0041  4.392834       4.097639 
1 1 1 17  -16 25 o 29.129  2.3013  118.086   17.594    114.790   25.608    121.033   24.215    28.692  3.3982  29.566  3.1041  -0.8737011     4.602521 
1 1 1 17  -16 26 o 42.877  1.9251  246.518   21.678    285.872   34.405    220.608   27.916    45.621  2.8295  40.132  2.6112  5.488541       3.850293 
1 1 1 17  -16 27 o 35.233  2.1190  177.307   18.799    151.502   30.326    193.410   23.956    32.862  3.4992  37.604  2.3909  -4.742172      4.238045 
1 1 1 17  -16 28 o 63.288  2.0469  545.043   34.402    603.290   53.024    502.698   45.210    66.111  2.9944  60.466  2.7915  5.644855       4.093737 
1 1 1 17  -16 29 o 41.141  2.0686  233.734   22.195    242.956   35.301    227.705   28.543    41.671  3.1869  40.610  2.6384  1.061172       4.137293 
1 1 1 17  -16 30 o 16.628  2.8825  44.493    12.719    27.885    22.076    52.744    15.561    14.043  4.8402  19.213  3.1316  -5.170968      5.764900 
1 1 1 17  -16 31 o 25.775  2.3890  90.797    15.590    115.535   26.388    77.532    19.323    28.275  3.5634  23.275  3.1829  5.000088       4.777907 
1 1 1 17  -16 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -16 33 o 28.286  2.7184  125.215   18.415    100.777   30.444    139.314   23.124    25.284  4.6672  31.288  2.7886  -6.003706      5.436836 
1 1 1 17  -16 34 o 8.3206  2.4965  -0.6161   10.989    -33.4451  21.137    11.542    12.863    6.9858  3.4140  9.6554  3.6435  -2.669616      4.992992 
1 1 1 17  -16 35 f 15.748  3.3163  39.777    14.146    48.983    25.749    35.797    16.929    16.633  5.2031  14.862  4.1131  1.771631       6.632514 
1 1 1 17  -16 36 o 22.075  3.2146  82.520    17.155    81.322    30.785    83.059    20.661    20.922  5.4419  23.228  3.4235  -2.305754      6.429235 
1 1 1 17  -16 37 o 15.066  3.2374  28.010    14.270    76.936    27.826    10.553    16.622    20.424  5.1016  9.7087  3.9871  10.71514       6.474845 
1 1 1 17  -16 38 o 11.125  3.0062  18.821    14.130    -8.5355   26.517    29.670    16.699    9.1805  4.2999  13.069  4.2025  -3.888675      6.012466 
1 1 1 17  -16 39 o 15.283  3.5188  41.129    15.362    62.011    28.583    32.646    18.218    17.154  5.4963  13.413  4.3952  3.740431       7.037518 
1 1 1 17  -16 40 o 10.394  4.7525  8.1609    29.617    8.1609    29.617    0.0000    0.0000    10.394  4.7525  ?       ?       ?              ?        
1 1 1 17  -16 41 o 9.4251  2.9820  8.8193    15.111    -2.3140   28.879    13.017    17.732    9.2738  4.3877  9.5764  4.0394  -0.3026428     5.963905 
1 1 1 17  -16 42 o 9.0498  2.7866  9.1132    14.505    -33.6989  30.522    21.603    16.486    7.6323  3.7974  10.467  4.0793  -2.834933      5.573193 
1 1 1 17  -15 0  o 138.743 2.9075  2595.76   107.840   2417.21   152.805   2772.93   152.215   133.956 4.2588  143.531 3.9594  -9.575058      5.814972 
1 1 1 17  -15 1  o 45.558  1.7651  279.370   21.454    283.511   30.319    275.217   30.363    45.899  2.4753  45.217  2.5170  0.6821022      3.530212 
1 1 1 17  -15 2  o 117.772 2.6250  1866.20   82.781    1822.06   117.399   1909.86   116.744   116.379 3.7662  119.166 3.6576  -2.786278      5.249953 
1 1 1 17  -15 3  o 51.764  1.8324  359.923   25.345    342.859   35.454    377.760   36.247    50.474  2.6316  53.055  2.5506  -2.581841      3.664855 
1 1 1 17  -15 4  o 50.002  1.8362  336.539   24.495    339.027   34.174    333.909   35.128    50.197  2.5501  49.807  2.6426  0.3899460      3.672374 
1 1 1 17  -15 5  o 66.019  1.9559  585.054   34.574    563.697   48.554    607.021   49.244    64.795  2.7976  67.243  2.7341  -2.447716      3.911791 
1 1 1 17  -15 6  o 136.601 2.8784  2512.72   105.313   2503.78   149.205   2521.60   148.667   136.356 4.0853  136.846 4.0560  -0.4897766     5.756766 
1 1 1 17  -15 7  o 77.076  2.0620  798.182   42.548    768.525   60.173    827.835   60.169    75.640  2.9700  78.513  2.8612  -2.872879      4.124012 
1 1 1 17  -15 8  o 100.209 2.3525  1350.92   63.093    1292.16   89.410    1409.20   89.044    98.028  3.4052  102.390 3.2468  -4.362343      4.705047 
1 1 1 17  -15 9  o 108.701 2.4780  1589.39   72.141    1622.71   102.454   1556.62   101.596   109.835 3.4826  107.568 3.5262  2.266052       4.956016 
1 1 1 17  -15 10 o 69.255  1.9924  644.060   36.952    659.321   52.765    629.371   51.765    70.060  2.8118  68.449  2.8235  1.610634       3.984749 
1 1 1 17  -15 11 o 70.617  1.9896  669.862   37.626    675.229   53.777    664.715   52.662    70.892  2.8321  70.341  2.7951  0.5511475      3.979103 
1 1 1 17  -15 12 o 133.103 2.8727  2389.40   102.413   2386.63   145.380   2392.12   144.295   133.023 4.0803  133.184 4.0449  -0.1610718     5.745444 
1 1 1 17  -15 13 o 19.114  2.4428  51.857    11.878    39.787    17.301    62.620    16.338    16.843  3.9101  21.385  2.9293  -4.541323      4.885633 
1 1 1 17  -15 14 o 126.617 2.7488  2163.62   93.214    2140.66   132.189   2186.33   131.462   125.941 3.9187  127.293 3.8557  -1.352081      5.497507 
1 1 1 17  -15 15 o 5.7347  1.8883  -15.8854  7.5472    -1.6224   10.949    -28.7965  10.417    7.1502  3.0980  4.3193  2.1598  2.830829       3.776552 
1 1 1 17  -15 16 o 144.529 3.0181  2829.40   116.834   2857.32   165.552   2801.69   164.907   145.245 4.2554  143.814 4.2811  1.430679       6.036245 
1 1 1 17  -15 17 o 35.293  1.9885  168.684   18.604    170.429   27.253    167.161   25.457    35.453  2.8953  35.134  2.7266  0.3190842      3.977034 
1 1 1 17  -15 18 o 87.680  2.2149  1037.48   52.013    1052.19   74.087    1023.18   73.038    88.293  3.1328  87.067  3.1319  1.225388       4.429783 
1 1 1 17  -15 19 o 47.347  1.9622  303.663   24.743    295.436   35.574    311.373   34.438    46.709  2.8571  47.986  2.6902  -1.277199      3.924369 
1 1 1 17  -15 20 o 53.215  1.9434  382.970   27.592    392.264   39.785    374.358   38.300    53.834  2.7685  52.596  2.7280  1.238094       3.886767 
1 1 1 17  -15 21 o 34.747  2.0349  164.339   18.731    165.720   27.412    163.129   25.656    34.867  2.9632  34.627  2.7899  0.2408524      4.069874 
1 1 1 17  -15 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -15 23 o 7.4090  2.2994  -3.2377   8.8193    -6.1280   12.369    -0.2484   12.579    6.9652  3.1394  7.8529  3.3604  -0.8876491     4.598717 
1 1 1 17  -15 24 o 51.604  1.9512  364.175   26.501    352.654   40.750    372.619   34.886    50.779  3.0095  52.429  2.4842  -1.650410      3.902358 
1 1 1 17  -15 25 o 14.145  2.7139  28.358    10.183    28.718    17.456    28.173    12.537    14.240  4.2519  14.050  3.3738  0.1895800      5.427813 
1 1 1 17  -15 26 o 42.024  1.9393  236.411   21.421    278.421   33.827    208.288   27.677    45.053  2.8173  38.995  2.6658  6.058735       3.878673 
1 1 1 17  -15 27 o 59.989  2.0038  486.134   31.944    551.555   49.068    438.011   42.084    63.415  2.8888  56.563  2.7778  6.852947       4.007648 
1 1 1 17  -15 28 o 27.560  2.2167  101.978   15.691    126.364   25.855    87.762    19.741    30.045  3.2654  25.075  2.9988  4.970671       4.433471 
1 1 1 17  -15 29 o 21.250  2.7484  71.871    14.059    45.559    23.118    87.314    17.711    17.425  4.8001  25.075  2.6784  -7.649992      5.496840 
1 1 1 17  -15 30 o 27.106  2.3386  101.656   16.153    115.004   26.758    94.004    20.262    28.349  3.6056  25.863  2.9793  2.485558       4.677272 
1 1 1 17  -15 31 o 28.838  2.3573  109.013   16.844    175.156   28.371    73.007    20.932    35.264  3.0332  22.413  3.6093  12.85008       4.714560 
1 1 1 17  -15 32 o 33.837  6.0476  188.081   52.798    188.081   52.798    0.0000    0.0000    33.837  6.0476  ?       ?       ?              ?        
1 1 1 17  -15 33 o 9.4147  2.6652  6.6118    11.153    -16.5044  20.827    15.905    13.205    8.0938  3.7972  10.736  3.7410  -2.641769      5.330461 
1 1 1 17  -15 34 o 9.4847  2.8658  4.8432    12.332    -1.4100   22.543    7.5136    14.732    9.6903  4.3125  9.2791  3.7755  0.4112120      5.731697 
1 1 1 17  -15 35 o 15.672  3.2842  40.837    14.336    40.792    24.908    40.860    17.532    15.390  5.1436  15.954  4.0850  -0.5642490     6.568354 
1 1 1 17  -15 36 o 13.006  3.2483  24.489    13.299    40.253    24.118    17.602    15.941    15.033  5.0611  10.979  4.0732  4.053575       6.496623 
1 1 1 17  -15 37 o 10.506  3.1049  10.466    13.220    21.793    25.237    6.1828    15.520    12.087  4.9324  8.9252  3.7726  3.161412       6.209794 
1 1 1 17  -15 38 o 9.2643  2.8201  6.5643    12.574    -6.1836   23.507    11.673    14.882    8.9295  4.1370  9.5990  3.8338  -0.6695776     5.640287 
1 1 1 17  -15 39 o 10.803  3.1544  1.8436    13.916    44.756    27.888    -12.3833  16.058    14.722  5.4005  6.8833  3.2611  7.838761       6.308782 
1 1 1 17  -15 40 o 15.240  5.7772  55.267    32.436    55.267    32.436    0.0000    0.0000    15.240  5.7772  ?       ?       ?              ?        
1 1 1 17  -15 41 o 13.845  3.2949  43.896    17.092    13.835    32.678    55.216    20.053    10.689  4.9259  17.002  4.3773  -6.312543      6.589812 
1 1 1 17  -15 42 o 7.5208  2.6036  -12.3049  13.719    -8.9713   30.434    -13.1552  15.370    8.7118  4.2205  6.3299  3.0498  2.381855       5.207109 
1 1 1 17  -14 0  o 76.157  2.0137  779.176   41.035    741.596   58.165    816.416   57.901    74.323  2.9218  77.992  2.7717  -3.668694      4.027317 
1 1 1 17  -14 1  o 120.684 2.6040  1958.09   84.159    2008.28   119.443   1908.61   118.599   122.224 3.6485  119.144 3.7164  3.079964       5.207976 
1 1 1 17  -14 2  o 68.537  1.9409  630.568   35.617    609.850   50.319    651.370   50.421    67.406  2.7871  69.668  2.7021  -2.261459      3.881860 
1 1 1 17  -14 3  o 15.621  2.3548  34.522    9.7034    20.668    13.617    48.816    13.831    12.379  3.7687  18.863  2.8244  -6.484127      4.709558 
1 1 1 17  -14 4  o 13.596  2.0745  26.774    7.4246    16.268    10.883    35.921    10.155    11.005  3.3729  16.187  2.4162  -5.182020      4.149006 
1 1 1 17  -14 5  o 22.825  2.0234  71.152    12.064    73.047    16.622    69.042    17.537    23.170  2.7308  22.480  2.9865  0.6896839      4.046790 
1 1 1 17  -14 6  o 55.624  1.8389  415.211   27.396    416.451   38.658    413.960   38.830    55.708  2.5908  55.540  2.6102  0.1677589      3.677718 
1 1 1 17  -14 7  o 127.634 2.7358  2191.86   93.523    2178.90   132.752   2204.63   131.775   127.255 3.8947  128.012 3.8432  -0.7568283     5.471665 
1 1 1 17  -14 8  o 96.882  2.3289  1261.40   60.430    1258.06   85.934    1264.67   84.996    96.753  3.3160  97.011  3.2710  -0.2580948     4.657836 
1 1 1 17  -14 9  o 99.807  2.3605  1338.72   63.095    1371.69   89.839    1306.62   88.633    101.022 3.3202  98.592  3.3563  2.429390       4.721073 
1 1 1 17  -14 10 o 48.639  1.8137  318.097   23.523    338.418   33.817    299.049   32.741    50.151  2.5256  47.128  2.6038  3.022522       3.627454 
1 1 1 17  -14 11 o 145.859 3.0765  2868.51   120.186   2905.84   170.462   2831.60   169.480   146.806 4.3351  144.911 4.3664  1.894455       6.152928 
1 1 1 17  -14 12 o 148.016 3.0869  2955.41   122.383   2961.96   173.421   2948.91   172.733   148.178 4.3695  147.853 4.3617  0.3249512      6.173876 
1 1 1 17  -14 13 o 37.531  1.8004  189.855   17.974    193.289   26.099    186.757   24.789    37.851  2.5898  37.212  2.5016  0.6386719      3.600733 
1 1 1 17  -14 14 o 34.092  1.8518  156.817   16.760    161.517   24.434    152.640   23.033    34.572  2.6590  33.612  2.5780  0.9598198      3.703595 
1 1 1 17  -14 15 o 48.350  1.8639  314.997   24.029    316.968   34.710    313.183   33.299    48.490  2.6829  48.210  2.5882  0.2803726      3.727834 
1 1 1 17  -14 16 o 72.903  2.0229  714.864   39.494    723.123   56.485    706.965   55.242    73.313  2.8765  72.493  2.8450  0.8201218      4.045769 
1 1 1 17  -14 17 o 25.714  2.1346  89.902    14.387    98.189    21.075    82.670    19.687    26.840  2.9820  24.588  3.0552  2.251873       4.269244 
1 1 1 17  -14 18 o 145.495 3.1007  2873.92   120.836   2864.73   171.058   2883.07   170.717   145.258 4.3966  145.732 4.3735  -0.4745483     6.201418 
1 1 1 17  -14 19 o 147.126 3.1065  2945.12   122.384   3027.89   173.294   2862.76   172.863   149.218 4.3358  145.034 4.4498  4.184464       6.212908 
1 1 1 17  -14 20 o 61.581  2.0183  511.330   33.235    553.875   47.755    471.367   46.283    64.075  2.7826  59.087  2.9244  4.987343       4.036690 
1 1 1 17  -14 21 o 65.159  2.0595  573.919   35.938    576.654   51.309    571.284   50.354    65.307  2.9332  65.011  2.8917  0.2961884      4.118938 
1 1 1 17  -14 22 o 11.603  2.6178  18.147    8.9502    15.437    15.493    19.504    10.965    11.385  4.0450  11.820  3.3241  -0.4353819     5.235625 
1 1 1 17  -14 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -14 24 o 49.208  1.9359  329.484   25.098    331.056   38.666    328.340   32.994    49.246  2.9448  49.169  2.5136  0.7683563E-01  3.871756 
1 1 1 17  -14 25 o 62.883  2.0003  533.485   33.498    586.706   50.813    492.576   44.550    65.607  2.8916  60.159  2.7648  5.447674       4.000666 
1 1 1 17  -14 26 o 20.058  2.6508  65.845    12.889    31.746    20.970    86.551    16.341    14.994  4.6963  25.122  2.4600  -10.12841      5.301632 
1 1 1 17  -14 27 o 12.712  2.1434  9.2334    9.1935    53.715    16.462    -10.9281  11.083    19.502  3.2671  5.9214  2.7754  13.58026       4.286818 
1 1 1 17  -14 28 o 38.377  2.0877  206.298   20.716    190.383   32.476    217.216   26.900    36.949  3.3168  39.805  2.5362  -2.855373      4.175369 
1 1 1 17  -14 29 o 23.461  2.4528  77.150    14.463    82.476    23.937    74.088    18.150    23.944  3.8640  22.979  3.0223  0.9650326      4.905566 
1 1 1 17  -14 30 o 28.467  2.3269  112.769   16.951    122.216   27.697    107.112   21.434    29.268  3.6096  27.666  2.9375  1.601477       4.653832 
1 1 1 17  -14 31 o 17.402  2.9785  47.083    13.420    38.475    22.851    51.615    16.580    15.925  4.8886  18.880  3.4040  -2.954733      5.956967 
1 1 1 17  -14 32 o 37.449  3.6282  202.912   35.938    202.912   35.938    0.0000    0.0000    37.449  3.6282  ?       ?       ?              ?        
1 1 1 17  -14 33 o 39.410  2.2854  220.194   23.350    238.176   37.797    209.096   29.693    40.446  3.5242  38.373  2.9107  2.072578       4.570735 
1 1 1 17  -14 34 o 10.499  2.9716  11.576    12.045    11.435    21.480    11.640    14.548    11.014  4.5290  9.9845  3.8483  1.029764       5.943205 
1 1 1 17  -14 35 o 12.207  2.8995  22.556    13.058    -2.5737   22.397    35.496    16.072    9.4475  4.2445  14.966  3.9512  -5.518282      5.798940 
1 1 1 17  -14 36 o 9.2968  2.6547  6.6757    11.628    -24.9859  22.906    17.668    13.496    7.7365  3.7264  10.857  3.7821  -3.120543      5.309450 
1 1 1 17  -14 37 o 16.648  3.4052  48.150    15.278    54.144    27.487    45.470    18.378    16.823  5.3898  16.474  4.1632  0.3494225      6.810473 
1 1 1 17  -14 38 o 11.828  3.2327  22.315    14.070    20.821    25.209    22.990    16.956    11.839  4.8914  11.816  4.2281  0.2307320E-01  6.465464 
1 1 1 17  -14 39 o 11.525  3.2783  13.365    13.781    42.518    28.092    4.1266    15.815    14.479  5.4001  8.5716  3.7186  5.907326       6.556613 
1 1 1 17  -14 40 o 14.242  5.7560  46.923    33.980    46.923    33.980    0.0000    0.0000    14.242  5.7560  ?       ?       ?              ?        
1 1 1 17  -14 41 o 11.984  3.3820  11.835    15.507    67.167    31.341    -6.1012   17.844    16.379  5.7602  7.5898  3.5459  8.788952       6.764097 
1 1 1 17  -14 42 o 6.8524  2.4049  -20.2212  13.182    -22.6683  28.351    -19.5462  14.890    7.8996  3.8797  5.8052  2.8430  2.094345       4.809892 
1 1 1 17  -13 0  o 222.866 4.2957  6716.87   256.427   6759.30   363.295   6674.74   361.993   223.570 6.0668  222.161 6.0834  1.408646       8.591439 
1 1 1 17  -13 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -13 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -13 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -13 4  o 87.984  2.6141  1039.74   58.185    1037.96   71.375    1043.25   100.465   87.926  3.0307  88.042  4.2603  -0.1158600     5.228282 
1 1 1 17  -13 5  o 87.659  2.1687  1031.89   50.913    1012.11   72.022    1051.63   71.981    86.817  3.0972  88.501  3.0366  -1.683372      4.337454 
1 1 1 17  -13 6  o 89.566  2.2102  1077.78   53.002    1050.39   75.350    1104.61   74.567    88.435  3.1811  90.698  3.0694  -2.262962      4.420481 
1 1 1 17  -13 7  o 162.814 4.0278  3575.98   166.263   3560.43   204.342   3606.44   285.994   162.534 4.6938  163.093 6.5468  -0.5596466     8.055609 
1 1 1 17  -13 8  o 135.946 5.9093  2500.70   215.175   2500.70   215.175   0.0000    0.0000    135.946 5.9093  ?       ?       ?              ?        
1 1 1 17  -13 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -13 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -13 11 o 82.370  2.1028  911.320   46.388    910.681   66.045    911.943   65.170    82.340  2.9946  82.400  2.9528  -0.6040192E-01 4.205528 
1 1 1 17  -13 12 o 73.357  2.0222  723.188   39.708    704.407   56.658    741.317   55.667    72.416  2.9210  74.298  2.7972  -1.882179      4.044371 
1 1 1 17  -13 13 o 51.818  1.8028  361.223   24.950    353.588   35.885    368.368   34.713    51.251  2.6229  52.386  2.4739  -1.135532      3.605552 
1 1 1 17  -13 14 o 133.744 2.8768  2411.62   103.052   2402.88   146.064   2420.28   145.413   133.499 4.0848  133.989 4.0518  -0.4897156     5.753512 
1 1 1 17  -13 15 o 47.233  1.8367  300.770   23.117    296.341   33.412    304.836   32.016    46.890  2.6713  47.576  2.5214  -0.6858368     3.673367 
1 1 1 17  -13 16 o 108.553 2.5390  1589.15   73.775    1529.94   104.668   1647.61   104.002   106.527 3.6683  110.578 3.5114  -4.051590      5.078028 
1 1 1 17  -13 17 o 115.625 2.6351  1804.50   81.596    1846.21   115.787   1763.35   115.006   116.959 3.6960  114.290 3.7569  2.669487       5.270167 
1 1 1 17  -13 18 o 67.447  2.0204  612.044   36.462    652.012   52.267    574.153   50.891    69.597  2.8038  65.297  2.9098  4.300293       4.040808 
1 1 1 17  -13 19 f 83.001  2.1191  922.099   46.929    1037.57   69.639    826.034   63.518    87.733  2.9635  78.268  3.0298  9.464172       4.238189 
1 1 1 17  -13 20 o 70.152  2.0130  662.072   37.659    680.778   56.275    646.902   50.678    71.028  2.9580  69.277  2.7312  1.751228       4.026013 
1 1 1 17  -13 21 o 102.421 2.4087  1418.33   65.976    1477.54   96.616    1366.60   90.312    104.402 3.4550  100.440 3.3570  3.962067       4.817307 
1 1 1 17  -13 22 o 16.685  2.5410  41.101    10.710    31.815    17.692    46.472    13.455    15.039  4.2201  18.331  2.8316  -3.292389      5.082063 
1 1 1 17  -13 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -13 24 o 28.028  2.1183  109.629   15.123    100.704   24.034    115.478   19.458    26.955  3.4048  29.101  2.5212  -2.145761      4.236654 
1 1 1 17  -13 25 o 63.026  2.0492  541.969   34.350    532.075   51.449    549.925   46.140    62.440  3.0763  63.613  2.7080  -1.172596      4.098381 
1 1 1 17  -13 26 o 35.222  2.0235  170.769   18.610    167.907   28.884    172.801   24.334    34.884  3.1244  35.559  2.5723  -0.6749878     4.046992 
1 1 1 17  -13 27 o 48.523  2.0546  328.107   26.021    293.020   39.788    354.329   34.397    46.034  3.2477  51.012  2.5175  -4.977730      4.109192 
1 1 1 17  -13 28 f 33.516  2.1068  154.306   18.364    161.645   29.157    149.480   23.643    34.080  3.2328  32.951  2.7027  1.128933       4.213697 
1 1 1 17  -13 29 o 16.148  2.8572  37.965    11.972    38.471    20.063    37.685    14.919    16.149  4.4806  16.146  3.5465  0.3074646E-02  5.714363 
1 1 1 17  -13 30 o 22.057  2.4876  65.498    13.778    89.925    23.129    52.061    17.154    25.103  3.5379  19.010  3.4979  6.093355       4.975154 
1 1 1 17  -13 31 o 32.089  2.3323  147.306   19.012    140.039   30.759    151.798   24.185    31.177  3.7592  33.000  2.7616  -1.823139      4.664514 
1 1 1 17  -13 32 o 8.2163  3.7806  -11.2803  19.150    -11.2803  19.150    0.0000    0.0000    8.2163  3.7806  ?       ?       ?              ?        
1 1 1 17  -13 33 o 30.701  2.4750  138.500   19.150    131.911   31.158    142.500   24.276    29.721  4.0169  31.682  2.8927  -1.961073      4.950058 
1 1 1 17  -13 34 o 8.8684  2.7176  2.0156    11.515    -9.3235   21.714    6.4520    13.582    8.8356  4.0508  8.9012  3.6239  -0.6561089E-01 5.435213 
1 1 1 17  -13 35 o 11.307  2.9855  17.649    12.731    2.2139    22.916    24.540    15.312    10.040  4.4131  12.574  4.0222  -2.534955      5.971044 
1 1 1 17  -13 36 o 23.756  3.0247  92.316    17.521    87.269    29.686    95.014    21.705    22.420  5.0632  25.092  3.3103  -2.672342      6.049310 
1 1 1 17  -13 37 o 13.406  3.2772  30.560    13.911    29.153    24.861    31.201    16.785    13.157  5.0409  13.655  4.1894  -0.4976807     6.554493 
1 1 1 17  -13 38 o 10.354  2.9330  12.937    13.531    -9.8822   24.525    22.924    16.224    8.8766  4.1504  11.831  4.1453  -2.954648      5.865942 
1 1 1 17  -13 39 o 11.254  3.2279  11.476    14.325    39.251    26.753    0.3114    16.961    14.161  5.2722  8.3470  3.7258  5.814138       6.455767 
1 1 1 17  -13 40 o 13.905  6.4105  48.519    55.425    48.519    55.425    0.0000    0.0000    13.905  6.4105  ?       ?       ?              ?        
1 1 1 17  -13 41 f 17.335  3.6064  52.933    17.200    104.218   32.472    32.933    20.278    21.858  5.5395  12.812  4.6195  9.045993       7.212855 
1 1 1 17  -12 0  o 114.561 2.5281  1763.24   77.571    1785.53   110.120   1741.30   109.288   115.281 3.5663  113.842 3.5841  1.438812       5.056139 
1 1 1 17  -12 1  o 94.829  2.2502  1207.53   57.150    1193.68   81.005    1221.26   80.640    94.286  3.2076  95.373  3.1567  -1.087067      4.500396 
1 1 1 17  -12 2  o 221.044 4.2517  6604.41   251.729   6620.83   356.304   6588.04   355.693   221.319 6.0105  220.768 6.0152  0.5502625      8.503483 
1 1 1 17  -12 3  o 84.999  2.1097  969.832   48.031    973.796   67.875    965.857   67.978    85.174  2.9752  84.825  2.9920  0.3489990      4.219422 
1 1 1 17  -12 4  o 52.685  1.8059  374.176   25.254    322.661   35.531    426.770   35.902    48.961  2.7201  56.409  2.3762  -7.447094      3.611819 
1 1 1 17  -12 5  o 155.380 3.1400  3250.16   130.677   3289.01   185.569   3211.94   184.050   156.302 4.4325  154.457 4.4488  1.845245       6.280025 
1 1 1 17  -12 6  o 24.717  1.9201  84.703    12.150    65.829    17.529    102.156   16.857    21.931  3.0680  27.502  2.3097  -5.570669      3.840206 
1 1 1 17  -12 7  o 75.630  2.0614  767.312   41.745    790.251   59.951    745.722   58.162    76.726  2.9172  74.533  2.9134  2.192749       4.122858 
1 1 1 17  -12 8  o 159.425 3.2568  3424.34   139.025   3543.26   197.404   3307.31   195.827   162.184 4.5442  156.666 4.6667  5.517807       6.513681 
1 1 1 17  -12 9  o 32.045  1.8240  138.856   15.499    134.406   22.293    143.019   21.563    31.535  2.6642  32.555  2.4919  -1.019394      3.647902 
1 1 1 17  -12 10 o 146.892 3.0766  2906.04   121.046   2923.35   171.532   2888.88   170.840   147.328 4.3468  146.455 4.3551  0.8729248      6.153162 
1 1 1 17  -12 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -12 12 o 181.743 4.7544  4551.10   215.534   4312.56   376.175   4667.68   262.980   177.641 7.9060  185.844 5.2831  -8.202255      9.508712 
1 1 1 17  -12 13 o 97.867  2.2811  1287.24   59.792    1299.53   85.035    1275.23   84.090    98.328  3.2287  97.405  3.2231  0.9231873      4.562132 
1 1 1 17  -12 14 o 21.372  2.2000  62.772    12.165    61.469    17.978    63.872    16.522    21.135  3.2823  21.608  2.9303  -0.4735870     4.400032 
1 1 1 17  -12 15 o 55.532  1.9169  414.215   28.498    415.049   40.975    413.433   39.660    55.584  2.7522  55.481  2.6689  0.1032104      3.833742 
1 1 1 17  -12 16 o 9.0535  2.4623  5.7167    8.9015    -2.3757   12.880    13.115    12.316    7.6880  3.3456  10.419  3.6138  -2.731019      4.924675 
1 1 1 17  -12 17 o 61.164  1.9110  505.436   31.002    483.140   46.653    523.067   41.486    59.932  2.9063  62.396  2.4823  -2.464050      3.822084 
1 1 1 17  -12 18 o 61.168  1.9013  501.711   30.983    517.545   46.580    489.146   41.493    62.019  2.8041  60.316  2.5683  1.702816       3.802516 
1 1 1 17  -12 19 o 76.902  2.0899  796.251   42.897    803.209   63.492    790.407   58.185    77.192  3.0708  76.611  2.8355  0.5810852      4.179717 
1 1 1 17  -12 20 o 11.679  2.0025  15.375    9.3753    -24.9244  15.058    40.885    11.981    6.1359  2.9717  17.221  2.6849  -11.08522      4.004910 
1 1 1 17  -12 21 o 98.637  2.3914  1318.09   63.037    1302.29   91.981    1332.09   86.562    98.040  3.5027  99.233  3.2567  -1.193207      4.782811 
1 1 1 17  -12 22 o 26.149  2.2553  99.998    14.317    71.320    22.440    119.684   18.592    22.589  3.8467  29.710  2.3557  -7.120565      4.510685 
1 1 1 17  -12 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -12 24 o 7.4469  2.2143  0.5702    7.7075    -8.8675   13.141    5.5199    9.5164    6.9010  3.1592  7.9927  3.1036  -1.091688      4.428660 
1 1 1 17  -12 25 o 24.788  2.3231  88.798    14.267    70.723    22.331    101.263   18.544    22.368  3.8672  27.208  2.5753  -4.839848      4.646220 
1 1 1 17  -12 26 o 32.378  2.1281  147.628   17.650    128.308   27.399    161.331   23.076    30.380  3.4271  34.376  2.5239  -3.996120      4.256190 
1 1 1 17  -12 27 o 13.469  2.8175  25.957    10.694    23.005    17.910    27.592    13.332    13.067  4.3616  13.871  3.5680  -0.8047409     5.635067 
1 1 1 17  -12 28 o 36.525  2.1429  187.378   20.226    169.461   31.394    200.093   26.446    34.848  3.4070  38.202  2.6000  -3.353916      4.285799 
1 1 1 17  -12 29 o 50.492  2.0687  351.432   27.575    356.088   42.173    347.956   36.446    50.680  3.1220  50.305  2.7149  0.3756447      4.137328 
1 1 1 17  -12 30 o 16.614  2.7298  34.714    12.397    69.548    20.937    15.910    15.383    21.982  3.6866  11.246  4.0269  10.73535       5.459556 
1 1 1 17  -12 31 o 50.685  2.1178  355.823   28.299    377.354   43.900    340.514   37.016    51.863  3.1755  49.507  2.8030  2.355587       4.235631 
1 1 1 17  -12 32 o 16.585  4.7338  42.418    22.066    42.418    22.066    0.0000    0.0000    16.585  4.7338  ?       ?       ?              ?        
1 1 1 17  -12 33 o 23.439  2.7434  78.995    16.075    93.596    27.121    71.086    19.959    24.867  4.2230  22.011  3.5029  2.855658       5.486714 
1 1 1 17  -12 34 o 24.328  2.9296  93.283    17.126    82.142    29.269    99.083    21.119    22.488  4.9896  26.169  3.0715  -3.680771      5.859239 
1 1 1 17  -12 35 o 7.1797  2.3514  -8.4771   10.458    -30.5117  20.874    -1.0924   12.085    7.0734  3.4427  7.2859  3.2037  -0.2124453     4.702728 
1 1 1 17  -12 36 f 18.690  3.1950  64.876    16.098    38.311    28.635    77.151    19.466    14.777  5.4637  22.602  3.3137  -7.825015      6.390071 
1 1 1 17  -12 37 o 18.393  3.4067  58.116    16.276    64.283    28.482    55.126    19.833    18.503  5.4071  18.284  4.1454  0.2191753      6.813299 
1 1 1 17  -12 38 o 30.004  3.3125  164.722   22.760    117.332   38.122    190.969   28.371    24.332  5.9084  35.676  2.9967  -11.34459      6.624965 
1 1 1 17  -12 39 o 11.880  3.0130  22.765    14.865    -13.3046  27.390    37.824    17.698    9.0277  4.2718  14.732  4.2501  -5.704238      6.025910 
1 1 1 17  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -12 41 o 8.7443  2.7392  4.7596    12.907    -19.0959  26.725    12.016    14.740    8.1970  3.9671  9.2916  3.7781  -1.094590      5.478344 
1 1 1 17  -11 0  o 30.502  1.6638  125.632   13.459    116.336   18.979    135.036   19.090    29.351  2.4362  31.653  2.2666  -2.301785      3.327545 
1 1 1 17  -11 1  o 189.208 3.7071  4828.05   187.807   4690.22   265.829   4965.40   265.371   186.492 5.3217  191.924 5.1622  -5.432083      7.414124 
1 1 1 17  -11 2  o 72.298  1.9500  703.614   37.533    611.682   52.856    797.120   53.307    67.511  2.9230  77.086  2.5818  -9.574814      3.899943 
1 1 1 17  -11 3  o 209.220 4.0673  5911.03   227.927   5890.56   322.504   5931.46   322.171   208.854 5.7651  209.586 5.7390  -0.7316742     8.134609 
1 1 1 17  -11 4  o 138.031 2.9081  2563.26   107.488   2510.43   152.625   2615.26   151.406   136.611 4.1711  139.451 4.0535  -2.840134      5.816283 
1 1 1 17  -11 5  o 62.964  1.8977  531.382   31.989    552.516   46.084    511.729   44.438    64.171  2.6811  61.757  2.6865  2.414204       3.795487 
1 1 1 17  -11 6  o 79.358  2.1112  846.210   44.821    824.423   64.460    866.603   62.364    78.362  3.0711  80.353  2.8976  -1.990532      4.222305 
1 1 1 17  -11 7  o 87.332  2.2075  1024.38   51.621    1010.90   73.664    1037.39   72.360    86.764  3.1697  87.901  3.0734  -1.136353      4.415080 
1 1 1 17  -11 8  o 136.921 2.9124  2522.45   106.805   2511.52   151.425   2533.26   150.667   136.623 4.1379  137.219 4.0994  -0.5960846     5.824710 
1 1 1 17  -11 9  o 48.491  1.7691  316.435   22.890    300.817   32.731    331.385   32.024    47.278  2.5946  49.703  2.4055  -2.424934      3.538111 
1 1 1 17  -11 10 o 28.781  1.7899  111.790   13.588    127.110   19.687    97.854    18.777    30.687  2.4147  26.875  2.6427  3.812340       3.579712 
1 1 1 17  -11 11 o 55.960  1.8177  420.291   27.232    417.503   39.061    422.928   37.985    55.778  2.6146  56.143  2.5260  -0.3649979     3.635469 
1 1 1 17  -11 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -11 13 o 58.288  2.3216  459.302   33.317    453.175   59.803    462.059   40.119    57.900  3.8786  58.675  2.5527  -0.7755013     4.643265 
1 1 1 17  -11 14 o 100.992 2.3268  1371.51   62.816    1365.00   91.640    1377.27   86.274    100.753 3.3958  101.230 3.1819  -0.4767685     4.653543 
1 1 1 17  -11 15 o 51.967  1.9312  377.194   25.761    289.920   38.930    445.183   34.361    46.333  3.1557  57.601  2.2271  -11.26780      3.862487 
1 1 1 17  -11 16 o 82.454  2.1371  918.056   46.921    870.030   69.110    959.124   63.908    80.425  3.2082  84.484  2.8242  -4.058990      4.274176 
1 1 1 17  -11 17 o 126.082 2.7391  2143.68   92.431    2161.71   133.609   2127.13   128.006   126.575 3.9409  125.590 3.8053  0.9848938      5.478244 
1 1 1 17  -11 18 f 40.106  1.8430  216.836   19.488    219.251   29.835    215.039   25.737    40.279  2.7825  39.933  2.4176  0.3463287      3.686037 
1 1 1 17  -11 19 o 57.032  1.9068  436.887   28.997    445.724   43.298    429.701   39.045    57.543  2.8092  56.522  2.5791  1.021107       3.813590 
1 1 1 17  -11 20 o 35.948  1.9530  175.665   18.411    171.322   28.218    178.885   24.295    35.522  2.9936  36.375  2.5089  -0.8531303     3.905967 
1 1 1 17  -11 21 o 6.2029  1.9281  -2.1204   6.1020    -8.6417   10.772    0.9613    7.4048    6.1094  2.8199  6.2965  2.6302  -0.1870608     3.856129 
1 1 1 17  -11 22 o 47.622  1.9487  310.490   24.397    280.790   36.711    333.984   32.651    45.466  3.0319  49.778  2.4489  -4.311337      3.897378 
1 1 1 17  -11 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -11 24 o 31.190  2.0220  130.595   16.534    150.719   25.711    116.406   21.589    33.204  2.9207  29.176  2.7970  4.028185       4.043932 
1 1 1 17  -11 25 o 70.871  2.1324  685.169   40.268    671.820   59.744    696.283   54.510    70.173  3.1786  71.570  2.8435  -1.397713      4.264873 
1 1 1 17  -11 26 o 11.223  2.6472  16.729    9.2291    13.170    15.478    18.692    11.496    10.865  4.0170  11.581  3.4488  -0.7164965     5.294436 
1 1 1 17  -11 27 o 21.812  2.3527  64.773    13.091    79.073    20.957    55.623    16.765    23.744  3.3916  19.880  3.2615  3.864149       4.705317 
1 1 1 17  -11 28 o 64.006  2.1120  561.846   35.948    566.199   54.240    558.437   48.006    64.135  3.1574  63.876  2.8059  0.2591248      4.224030 
1 1 1 17  -11 29 o 17.362  2.7932  41.080    12.399    57.232    20.808    32.188    15.439    19.842  4.0521  14.882  3.8456  4.960845       5.586393 
1 1 1 17  -11 30 o 54.681  2.1395  415.633   30.791    407.579   47.437    421.498   40.477    54.013  3.2947  55.349  2.7303  -1.335850      4.278946 
1 1 1 17  -11 31 o 15.861  2.9654  39.052    12.660    29.428    21.894    43.887    15.518    14.327  4.8221  17.394  3.4527  -3.066317      5.930743 
1 1 1 17  -11 32 o 32.297  5.9168  167.276   49.298    167.276   49.298    0.0000    0.0000    32.297  5.9168  ?       ?       ?              ?        
1 1 1 17  -11 33 o 23.188  2.9915  86.419    16.617    66.399    28.251    97.009    20.547    20.306  5.1782  26.069  2.9971  -5.763432      5.983016 
1 1 1 17  -11 34 o 32.875  2.5598  162.454   20.911    148.885   34.536    170.308   26.275    31.199  4.2428  34.551  2.8651  -3.352119      5.119552 
1 1 1 17  -11 35 o 12.942  3.2032  25.045    13.101    28.228    22.999    23.517    15.940    13.492  4.9112  12.391  4.1137  1.101222       6.406426 
1 1 1 17  -11 36 o 21.945  3.0725  70.916    16.789    110.245   29.397    51.879    20.452    26.126  4.3541  17.764  4.3363  8.361959       6.145055 
1 1 1 17  -11 37 o 16.824  3.3424  45.572    14.541    61.155    27.323    39.414    17.175    18.199  5.2895  15.449  4.0874  2.750159       6.684760 
1 1 1 17  -11 38 o 11.726  3.2080  17.687    13.319    33.931    24.684    11.016    15.819    13.745  5.0747  9.7073  3.9258  4.037764       6.415949 
1 1 1 17  -11 39 o 12.796  3.4774  23.666    15.090    45.701    29.643    15.958    17.532    15.004  5.5567  10.588  4.1825  4.415163       6.954877 
1 1 1 17  -11 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -11 41 o 11.271  3.2279  23.029    14.697    14.352    31.050    25.534    16.684    10.788  4.9068  11.754  4.1953  -0.9662981     6.455730 
1 1 1 17  -10 0  o 78.605  1.9901  829.140   41.894    816.314   59.401    841.834   59.093    77.999  2.8432  79.212  2.7852  -1.212845      3.980145 
1 1 1 17  -10 1  o 225.040 4.3031  6842.17   259.338   6985.06   367.100   6699.80   366.421   227.405 6.0269  222.676 6.1435  4.728790       8.606196 
1 1 1 17  -10 2  o 117.523 2.5274  1855.61   79.543    1812.81   112.491   1898.40   112.489   116.164 3.6154  118.883 3.5327  -2.718887      5.054794 
1 1 1 17  -10 3  o 138.711 2.8885  2587.05   107.314   2614.97   152.344   2559.54   151.194   139.455 4.0785  137.967 4.0914  1.487610       5.776986 
1 1 1 17  -10 4  o 187.764 3.7136  4753.01   186.754   4820.07   265.475   4687.31   262.765   189.077 5.2420  186.451 5.2616  2.626633       7.427132 
1 1 1 17  -10 5  o 93.677  2.2725  1178.10   57.005    1185.43   81.690    1171.14   79.584    93.959  3.2459  93.396  3.1813  0.5629654      4.545013 
1 1 1 17  -10 6  o 127.090 2.7691  2171.57   94.250    2171.36   134.326   2171.78   132.278   127.080 3.9463  127.100 3.8855  -0.1988220E-01 5.538122 
1 1 1 17  -10 7  o 111.658 2.5451  1675.21   76.113    1695.89   108.094   1654.88   107.192   112.342 3.5923  110.974 3.6062  1.367989       5.090115 
1 1 1 17  -10 8  o 116.118 2.5895  1812.22   80.537    1803.43   114.046   1820.97   113.748   115.836 3.6758  116.401 3.6484  -0.5652161     5.178990 
1 1 1 17  -10 9  o 124.523 2.7232  2084.99   90.827    2101.93   128.605   2068.14   128.292   125.029 3.8402  124.017 3.8622  1.012108       5.446446 
1 1 1 17  -10 10 o 54.883  1.8080  404.730   26.539    386.415   37.952    422.255   37.126    53.663  2.6404  56.103  2.4706  -2.440273      3.616014 
1 1 1 17  -10 11 o 55.132  1.7439  405.637   25.630    428.854   38.540    387.228   34.319    56.536  2.5451  53.728  2.3848  2.807747       3.487752 
1 1 1 17  -10 12 o 63.156  1.8301  532.895   30.852    562.322   45.995    508.826   41.597    64.730  2.6528  61.581  2.5219  3.149761       3.660288 
1 1 1 17  -10 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -10 14 o 72.431  1.9804  705.027   38.262    697.963   56.594    710.974   51.927    72.088  2.9310  72.775  2.6639  -0.6869736     3.960721 
1 1 1 17  -10 15 o 69.397  1.9925  651.371   36.735    602.018   54.225    693.234   49.941    66.935  3.0245  71.859  2.5947  -4.923599      3.985020 
1 1 1 17  -10 16 o 81.762  2.1576  903.944   46.951    835.353   68.654    964.211   64.353    78.810  3.2523  84.714  2.8361  -5.903625      4.315248 
1 1 1 17  -10 17 o 28.859  1.9590  115.123   14.556    101.353   22.395    125.196   19.154    27.274  3.1218  30.445  2.3675  -3.171026      3.917988 
1 1 1 17  -10 18 o 76.284  2.1323  789.454   43.207    711.197   63.131    858.408   59.260    72.670  3.2434  79.898  2.7691  -7.227776      4.264662 
1 1 1 17  -10 19 o 29.776  2.3409  133.477   16.137    71.548    24.132    183.569   21.703    22.651  4.1296  36.902  2.2059  -14.25060      4.681841 
1 1 1 17  -10 20 o 78.737  2.1912  843.105   45.816    752.946   66.736    923.482   63.012    74.679  3.3364  82.796  2.8414  -8.117416      4.382318 
1 1 1 17  -10 21 o 52.341  1.9632  372.409   27.199    348.276   40.489    392.256   36.718    50.712  2.9941  53.969  2.5401  -3.256664      3.926372 
1 1 1 17  -10 22 o 49.682  1.9171  333.555   25.278    338.799   37.878    329.344   33.942    50.009  2.8395  49.354  2.5765  0.6549377      3.834234 
1 1 1 17  -10 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -10 24 o 62.190  2.0197  522.692   33.504    542.338   50.062    506.755   45.091    63.218  2.9565  61.163  2.7525  2.055660       4.039429 
1 1 1 17  -10 25 o 54.215  2.0180  402.002   28.921    385.285   43.651    415.083   38.613    53.097  3.0825  55.333  2.6053  -2.236301      4.036053 
1 1 1 17  -10 26 o 22.428  2.3084  67.864    13.216    83.730    21.290    57.918    16.857    24.510  3.3291  20.347  3.1986  4.163111       4.616705 
1 1 1 17  -10 27 o 42.806  2.0085  248.520   22.672    270.138   35.109    233.056   29.694    44.345  2.9731  41.268  2.7013  3.077168       4.017009 
1 1 1 17  -10 28 o 26.557  2.3438  100.846   15.580    89.714    25.022    107.895   19.910    25.127  3.8397  27.987  2.6891  -2.859337      4.687675 
1 1 1 17  -10 29 o 38.446  2.1260  203.911   21.352    208.859   33.520    200.533   27.699    38.729  3.2617  38.164  2.7276  0.5646591      4.251916 
1 1 1 17  -10 30 o 48.320  2.1158  321.327   26.888    339.707   42.002    308.564   35.000    49.370  3.1934  47.270  2.7765  2.099243       4.231679 
1 1 1 17  -10 31 f 21.625  2.7453  68.215    14.638    68.184    24.736    68.232    18.158    21.345  4.4699  21.905  3.1885  -0.5597858     5.490561 
1 1 1 17  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -10 33 o 22.843  2.8873  76.400    16.426    86.795    27.689    70.755    20.404    23.763  4.5154  21.923  3.5997  1.840006       5.774647 
1 1 1 17  -10 34 f 32.060  2.5704  152.944   20.711    147.891   34.019    155.921   26.107    31.154  4.1825  32.967  2.9891  -1.813278      5.140824 
1 1 1 17  -10 35 o 17.531  3.0650  56.690    15.686    20.623    27.550    73.992    19.081    12.746  5.1717  22.317  3.2909  -9.570758      6.129976 
1 1 1 17  -10 36 f 8.8978  2.7293  -6.2161   11.821    18.147    21.002    -17.5131  14.301    11.619  4.5815  6.1766  2.9675  5.442359       5.458617 
1 1 1 17  -10 37 f 24.931  3.1085  100.137   18.507    108.956   33.476    96.256    22.210    24.773  5.2103  25.090  3.3918  -0.3173599     6.217070 
1 1 1 17  -10 38 o 34.924  2.7439  191.684   24.094    205.009   40.580    184.430   29.943    35.035  4.4230  34.814  3.2486  0.2203369      5.487775 
1 1 1 17  -10 39 o 15.306  2.9602  19.463    14.565    93.996    28.358    -7.2440   16.975    23.005  4.7592  7.6080  3.5215  15.39666       5.920382 
1 1 1 17  -10 40 o 7.3249  3.3199  -2.5296   14.055    0.0000    0.0000    -2.5296   14.055    ?       ?       7.3249  3.3199  ?              ?        
1 1 1 17  -10 41 o 9.7583  3.0947  7.5673    14.630    19.567    29.369    3.6069    16.872    11.109  4.9341  8.4079  3.7369  2.700820       6.189461 
1 1 1 17  -9  0  o 100.838 2.2834  1365.02   61.662    1396.87   87.385    1333.44   87.023    102.012 3.1981  99.664  3.2599  2.347603       4.566738 
1 1 1 17  -9  1  o 111.993 2.4606  1685.80   73.711    1584.07   104.208   1787.66   104.277   108.599 3.5825  115.386 3.3740  -6.786964      4.921197 
1 1 1 17  -9  2  o 124.424 2.6614  2080.16   88.688    2071.82   126.115   2088.32   124.744   124.175 3.7918  124.674 3.7355  -0.4996872     5.322792 
1 1 1 17  -9  3  f 207.414 4.0609  5806.60   225.566   5718.03   320.214   5893.85   317.795   205.826 5.8083  209.003 5.6768  -3.176712      8.121771 
1 1 1 17  -9  4  o 39.779  1.6952  213.014   17.963    211.987   25.888    213.968   24.946    39.682  2.4476  39.876  2.3460  -0.1939507     3.390321 
1 1 1 17  -9  5  o 93.758  2.2994  1180.32   57.733    1178.24   82.444    1182.31   80.872    93.675  3.2858  93.842  3.2175  -0.1665421     4.598782 
1 1 1 17  -9  6  o 55.071  1.8521  406.673   27.313    418.124   39.077    395.737   38.191    55.829  2.6132  54.313  2.6252  1.515556       3.704151 
1 1 1 17  -9  7  o 87.474  2.1170  1025.88   48.960    1261.30   71.386    816.797   67.275    96.954  2.7489  77.994  3.2204  18.96017       4.234049 
1 1 1 17  -9  8  o 40.134  1.5941  214.772   16.991    241.253   25.431    193.420   22.835    42.356  2.2497  37.911  2.2590  4.444633       3.188153 
1 1 1 17  -9  9  o 111.515 2.4632  1674.70   73.387    1595.28   105.935   1747.98   101.761   108.951 3.6301  114.078 3.3304  -5.126648      4.926343 
1 1 1 17  -9  10 o 102.438 2.3204  1409.39   63.583    1410.45   92.330    1408.44   87.689    102.467 3.3641  102.409 3.1968  0.5788422E-01  4.640788 
1 1 1 17  -9  11 f 192.816 3.7733  5017.45   194.846   5084.96   278.334   4952.57   272.857   194.083 5.3541  191.550 5.3182  2.533035       7.546523 
1 1 1 17  -9  12 o 56.557  1.9282  445.165   28.092    338.123   41.852    532.935   37.897    50.078  3.1360  63.037  2.2445  -12.95824      3.856449 
1 1 1 17  -9  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -9  14 o 45.081  1.7702  269.791   21.161    319.701   31.852    230.358   28.312    48.812  2.4362  41.350  2.5689  7.461761       3.540416 
1 1 1 17  -9  15 o 79.982  2.1484  866.744   45.635    772.476   66.403    951.118   62.822    75.806  3.2704  84.158  2.7869  -8.352890      4.296790 
1 1 1 17  -9  16 o 111.538 2.5929  1685.00   76.975    1506.27   110.728   1852.15   107.081   105.740 3.9096  117.336 3.4071  -11.59666      5.185891 
1 1 1 17  -9  17 o 65.401  1.9822  576.318   34.584    555.434   50.689    594.507   47.305    64.278  2.9442  66.524  2.6549  -2.246101      3.964396 
1 1 1 17  -9  18 o 47.572  1.8727  304.236   23.686    315.186   35.224    295.197   32.002    48.344  2.7314  46.801  2.5626  1.543018       3.745338 
1 1 1 17  -9  19 o 127.456 2.7914  2195.00   95.262    2233.05   136.962   2159.34   132.586   128.516 3.9788  126.396 3.9163  2.120132       5.582855 
1 1 1 17  -9  20 o 60.328  2.0802  500.894   32.840    411.094   48.275    578.251   44.805    55.097  3.2861  65.558  2.5516  -10.46088      4.160406 
1 1 1 17  -9  21 o 90.094  2.3058  1097.97   55.513    1078.59   80.905    1115.21   76.310    89.311  3.3820  90.876  3.1351  -1.564453      4.611583 
1 1 1 17  -9  22 o 45.039  1.9602  276.917   23.252    258.888   34.978    291.192   31.125    43.665  3.0090  46.414  2.5130  -2.748451      3.920405 
1 1 1 17  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -9  24 o 39.631  1.9429  210.248   20.324    243.651   31.240    185.735   26.762    42.323  2.7711  36.939  2.7241  5.384392       3.885851 
1 1 1 17  -9  25 o 52.486  2.0378  378.148   28.194    352.607   42.549    398.140   37.644    50.772  3.1443  54.199  2.5931  -3.426781      4.075581 
1 1 1 17  -9  26 f 27.600  2.3684  111.721   15.968    83.098    25.127    131.111   20.681    24.214  4.0149  30.986  2.5134  -6.772165      4.736765 
1 1 1 17  -9  27 o 45.088  2.0365  277.149   24.218    289.702   37.303    268.003   31.842    45.905  3.0512  44.271  2.6982  1.634224       4.073061 
1 1 1 17  -9  28 o 12.739  2.7464  17.731    10.440    38.571    18.224    7.5507    12.737    16.287  4.1620  9.1905  3.5845  7.096910       5.492791 
1 1 1 17  -9  29 o 15.131  2.9263  32.679    11.814    35.623    19.919    31.082    14.674    15.617  4.5099  14.646  3.7302  0.9704494      5.852664 
1 1 1 17  -9  30 o 26.209  2.3499  90.818    15.578    127.696   26.134    70.494    19.401    30.139  3.2908  22.278  3.3553  7.860317       4.699758 
1 1 1 17  -9  31 o 19.129  2.8443  52.948    13.441    57.175    23.435    50.877    16.407    19.468  4.5721  18.789  3.3846  0.6785278      5.688568 
1 1 1 17  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -9  33 o 29.256  2.6213  127.498   18.979    117.891   31.372    133.044   23.835    27.905  4.3382  30.607  2.9437  -2.702555      5.242668 
1 1 1 17  -9  34 o 13.161  3.1691  25.522    12.908    28.197    22.030    24.124    15.929    13.664  4.8268  12.659  4.1080  1.004634       6.338283 
1 1 1 17  -9  35 o 10.526  2.9543  12.638    11.665    11.430    21.809    13.122    13.805    10.957  4.5401  10.094  3.7815  0.8632326      5.908660 
1 1 1 17  -9  36 o 21.139  3.1963  78.016    16.694    60.929    29.163    86.344    20.359    18.273  5.5047  24.005  3.2500  -5.731642      6.392513 
1 1 1 17  -9  37 o 18.098  3.0152  66.878    17.024    10.700    31.215    90.663    20.311    11.649  5.1345  24.547  3.1627  -12.89870      6.030361 
1 1 1 17  -9  38 o 12.070  3.3284  21.963    14.384    22.509    28.459    21.775    16.670    12.429  5.1711  11.710  4.1921  0.7189407      6.656897 
1 1 1 17  -9  39 o 11.726  5.0217  18.287    28.131    18.287    28.131    0.0000    0.0000    11.726  5.0217  ?       ?       ?              ?        
1 1 1 17  -9  40 o 10.260  3.1477  5.1064    13.978    32.102    28.279    -3.6210   16.079    12.869  5.2331  7.6504  3.4995  5.218959       6.295333 
1 1 1 17  -9  41 f 8.7647  2.8838  -5.7728   13.561    20.174    27.794    -13.8792  15.536    11.052  4.8592  6.4775  3.1070  4.574510       5.767542 
1 1 1 17  -8  0  o 67.712  1.8357  615.068   33.278    637.390   47.127    592.868   46.997    68.939  2.5522  66.485  2.6391  2.454536       3.671324 
1 1 1 17  -8  1  o 33.674  1.9584  157.417   16.612    168.797   20.975    138.267   27.209    35.413  2.2225  31.934  3.2253  3.479702       3.916882 
1 1 1 17  -8  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -8  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -8  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -8  5  o 38.519  1.9553  195.400   19.598    179.329   24.830    221.952   31.916    36.476  2.5577  40.561  2.9581  -4.085464      3.910524 
1 1 1 17  -8  6  o 112.985 2.5974  1725.35   78.132    1560.17   112.873   1877.32   108.261   107.737 3.9114  118.232 3.4186  -10.49487      5.194803 
1 1 1 17  -8  7  o 66.651  1.8531  594.048   33.030    637.124   48.276    556.136   45.290    68.916  2.6153  64.387  2.6262  4.529366       3.706291 
1 1 1 17  -8  8  o 153.040 3.0987  3154.74   126.897   3055.95   181.539   3249.11   177.449   150.676 4.4982  155.405 4.2630  -4.728989      6.197364 
1 1 1 17  -8  9  o 98.787  2.2445  1306.71   59.264    1433.21   86.129    1192.97   81.672    103.320 3.1123  94.254  3.2351  9.065605       4.489084 
1 1 1 17  -8  10 o 48.194  1.7214  308.282   21.385    433.787   32.310    210.444   28.527    56.879  2.1208  39.509  2.7121  17.36941       3.442869 
1 1 1 17  -8  11 f 86.479  2.1147  999.396   48.731    1153.18   71.377    865.136   66.693    92.689  2.8750  80.269  3.1020  12.42096       4.229462 
1 1 1 17  -8  12 o 159.254 3.2746  3422.50   139.456   3252.40   199.281   3585.74   195.222   155.337 4.7896  163.171 4.4668  -7.834198      6.549255 
1 1 1 17  -8  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -8  14 o 122.670 2.6713  2022.41   87.696    2144.29   125.970   1907.78   122.160   126.261 3.7248  119.079 3.8301  7.181458       5.342639 
1 1 1 17  -8  15 o 71.481  2.0308  687.767   38.772    660.756   56.293    712.145   53.479    70.134  2.9967  72.828  2.7415  -2.694283      4.061523 
1 1 1 17  -8  16 o 109.293 2.5122  1607.22   73.503    1611.39   105.735   1603.31   102.249   109.422 3.6077  109.164 3.4970  0.2584686      5.024334 
1 1 1 17  -8  17 o 120.032 2.7125  1947.32   86.952    1818.90   124.790   2068.52   121.226   116.139 4.0115  123.925 3.6521  -7.786003      5.424991 
1 1 1 17  -8  18 o 131.941 2.8351  2347.87   99.931    2590.60   143.854   2121.50   138.923   138.560 3.8761  125.323 4.1386  13.23695       5.670296 
1 1 1 17  -8  19 o 69.936  2.0393  653.874   38.002    756.022   56.099    567.255   51.660    74.961  2.7941  64.912  2.9712  10.04878       4.078596 
1 1 1 17  -8  20 o 126.818 2.8211  2178.42   95.744    2164.86   138.053   2190.99   132.900   126.407 4.0774  127.229 3.8999  -0.8230209     5.642195 
1 1 1 17  -8  21 f 55.000  1.9900  408.534   29.083    407.122   43.499    409.674   39.109    54.854  2.9717  55.146  2.6477  -0.2921982     3.980099 
1 1 1 17  -8  22 o 85.910  2.3148  1003.81   52.968    943.269   77.612    1056.59   72.468    83.415  3.4737  88.404  3.0605  -4.988388      4.629600 
1 1 1 17  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -8  24 o 56.744  2.0169  435.817   30.414    448.122   45.826    426.131   40.659    57.387  2.9917  56.101  2.7058  1.285580       4.033771 
1 1 1 17  -8  25 o 71.740  2.1897  704.562   41.733    669.534   62.187    733.263   56.291    70.021  3.3158  73.459  2.8609  -3.437950      4.379401 
1 1 1 17  -8  26 o 32.681  2.0367  142.233   17.336    183.536   27.147    113.789   22.528    36.622  2.7885  28.740  2.9693  7.881395       4.073385 
1 1 1 17  -8  27 o 28.505  2.2269  113.807   16.180    107.407   25.808    117.952   20.768    27.697  3.5612  29.312  2.6746  -1.615208      4.453784 
1 1 1 17  -8  28 o 33.812  2.1102  154.884   18.658    176.233   29.481    140.619   24.098    35.686  3.1156  31.938  2.8468  3.748005       4.220343 
1 1 1 17  -8  29 o 24.179  2.4316  80.719    14.897    90.640    24.525    74.919    18.753    25.237  3.7416  23.121  3.1067  2.115812       4.863230 
1 1 1 17  -8  30 o 12.286  2.9259  18.122    10.806    28.998    19.454    13.270    12.994    14.216  4.5323  10.355  3.7018  3.860579       5.851872 
1 1 1 17  -8  31 o 12.121  2.5682  20.078    11.433    -11.2531  19.398    36.756    14.152    8.3474  3.8276  15.895  3.4251  -7.548091      5.136343 
1 1 1 17  -8  32 o 26.203  3.1462  97.762    21.640    0.0000    0.0000    97.762    21.640    ?       ?       26.203  3.1462  ?              ?        
1 1 1 17  -8  33 o 37.675  2.3925  204.965   23.071    203.049   37.470    206.135   29.279    37.170  3.8179  38.179  2.8844  -1.009022      4.784985 
1 1 1 17  -8  34 o 28.121  2.6589  115.852   18.787    127.221   31.551    109.607   23.385    28.821  4.2115  27.422  3.2468  1.398310       5.317780 
1 1 1 17  -8  35 o 24.479  2.8693  87.014    17.367    115.873   30.504    73.172    21.126    27.082  4.3526  21.876  3.7398  5.206497       5.738554 
1 1 1 17  -8  36 o 13.936  3.3081  31.870    13.870    30.476    26.454    32.399    16.289    13.710  5.2124  14.162  4.0749  -0.4524460     6.616199 
1 1 1 17  -8  37 f 14.448  3.4841  32.645    14.570    47.478    28.955    27.616    16.859    15.910  5.5398  12.986  4.2269  2.923960       6.968219 
1 1 1 17  -8  38 f 12.013  3.1067  23.287    14.369    -0.8657   27.139    32.695    16.938    10.076  4.5847  13.949  4.1936  -3.873321      6.213342 
1 1 1 17  -8  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -8  40 o 15.029  3.6411  39.726    16.108    67.847    31.205    29.511    18.808    17.379  5.7552  12.679  4.4619  4.699377       7.282210 
1 1 1 17  -7  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -7  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -7  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -7  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -7  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -7  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -7  6  o 89.880  2.6852  1078.23   61.896    1060.75   76.826    1110.56   104.488   88.890  3.2267  90.869  4.2930  -1.979149      5.370414 
1 1 1 17  -7  7  o 260.145 4.9451  9168.54   344.484   9446.48   489.380   8895.55   484.998   264.085 6.9185  256.205 7.0675  7.879486       9.890150 
1 1 1 17  -7  8  o 75.602  1.9530  768.804   39.412    740.172   57.546    794.097   54.087    74.266  2.8929  76.938  2.6246  -2.671669      3.906093 
1 1 1 17  -7  9  o 81.920  2.0211  897.499   44.264    974.423   64.672    829.705   60.712    85.213  2.8335  78.628  2.8828  6.584785       4.042153 
1 1 1 17  -7  10 o 47.905  1.7705  313.041   22.296    270.892   33.037    348.297   30.215    44.846  2.7639  50.965  2.2134  -6.119106      3.540926 
1 1 1 17  -7  11 o 109.113 2.4555  1597.65   71.685    1706.73   103.181   1495.87   99.667    112.714 3.4177  105.511 3.5266  7.202980       4.910983 
1 1 1 17  -7  12 o 89.398  2.2160  1074.13   53.000    1051.27   76.343    1095.40   73.636    88.473  3.2216  90.324  3.0437  -1.851395      4.432005 
1 1 1 17  -7  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -7  14 o 25.277  1.9934  89.094    12.861    71.319    19.061    103.948   17.425    22.819  3.2071  27.735  2.3682  -4.915915      3.986754 
1 1 1 17  -7  15 o 95.205  2.3455  1220.64   59.686    1171.58   86.104    1266.02   82.811    93.346  3.4438  97.063  3.1853  -3.716888      4.691009 
1 1 1 17  -7  16 o 218.198 4.3275  6468.59   252.773   6280.46   359.560   6652.41   355.427   214.998 6.2438  221.397 5.9936  -6.399323      8.654959 
1 1 1 17  -7  17 o 60.219  1.9726  488.120   31.689    476.998   46.664    497.639   43.169    59.572  2.9245  60.867  2.6479  -1.295155      3.945170 
1 1 1 17  -7  18 o 31.367  1.9332  130.857   15.919    157.732   24.373    110.862   21.023    34.152  2.6860  28.583  2.7812  5.569929       3.866488 
1 1 1 17  -7  19 o 39.841  1.9465  215.888   20.419    204.123   30.709    225.213   27.337    38.827  2.9755  40.855  2.5103  -2.028706      3.892959 
1 1 1 17  -7  20 o 67.929  2.0991  624.260   37.976    594.711   55.974    649.463   51.695    66.407  3.1469  69.450  2.7790  -3.042488      4.198283 
1 1 1 17  -7  21 o 102.238 2.4785  1412.11   67.793    1460.30   98.781    1369.22   93.210    103.870 3.5506  100.605 3.4590  3.264328       4.956933 
1 1 1 17  -7  22 o 87.851  2.3345  1048.34   54.692    1004.82   80.170    1086.22   74.802    86.087  3.4768  89.614  3.1164  -3.527290      4.669044 
1 1 1 17  -7  23 o 33.687  3.4599  155.803   30.776    0.0000    0.0000    155.803   30.776    ?       ?       33.687  3.4599  ?              ?        
1 1 1 17  -7  24 o 94.873  2.4275  1225.88   61.535    1242.64   90.506    1211.48   83.915    95.423  3.5411  94.324  3.3215  1.098145       4.855026 
1 1 1 17  -7  25 o 25.454  2.1868  88.369    14.315    95.048    22.918    84.096    18.330    26.178  3.3450  24.729  2.8177  1.449095       4.373615 
1 1 1 17  -7  26 f 59.363  2.0883  479.688   32.901    493.698   49.892    468.907   43.766    60.031  3.1136  58.695  2.7838  1.335682       4.176622 
1 1 1 17  -7  27 o 12.764  2.6919  18.203    10.413    38.874    17.442    6.7570    12.979    16.411  4.0037  9.1172  3.5995  7.293691       5.383888 
1 1 1 17  -7  28 o 16.860  2.5019  49.196    12.501    1.4140    20.699    76.627    15.684    10.131  4.3223  23.590  2.5212  -13.45954      5.003844 
1 1 1 17  -7  29 o 42.098  2.2464  252.642   24.119    217.709   38.157    275.887   31.126    39.352  3.6621  44.843  2.6026  -5.491066      4.492729 
1 1 1 17  -7  30 o 26.890  2.3547  99.196    16.188    115.251   26.641    89.799    20.382    28.486  3.5701  25.294  3.0714  3.191851       4.709431 
1 1 1 17  -7  31 f 24.037  6.8426  96.640    46.168    96.640    46.168    0.0000    0.0000    24.037  6.8426  ?       ?       ?              ?        
1 1 1 17  -7  32 o 67.418  2.4042  651.996   42.428    612.131   65.531    680.768   55.672    65.142  3.7719  69.695  2.9823  -4.552429      4.808451 
1 1 1 17  -7  33 f 20.256  3.0847  75.928    17.045    23.518    29.341    102.623   20.941    13.694  5.4103  26.818  2.9648  -13.12404      6.169414 
1 1 1 17  -7  34 o 25.531  2.8184  95.995    17.658    109.112   30.922    89.648    21.510    26.364  4.5429  24.698  3.3370  1.666033       5.636784 
1 1 1 17  -7  35 o 11.023  3.0641  10.203    12.616    28.684    22.995    2.2434    15.090    13.532  4.9130  8.5144  3.6630  5.017602       6.128257 
1 1 1 17  -7  36 o 6.7575  2.3199  -15.4339  10.142    -21.0718  22.626    -14.0162  11.346    7.9680  3.8022  5.5471  2.6592  2.420844       4.639859 
1 1 1 17  -7  37 o 23.508  3.3966  100.807   19.313    76.431    34.087    112.332   23.439    19.745  5.9521  27.270  3.2743  -7.525818      6.793248 
1 1 1 17  -7  38 o 20.108  3.5489  66.862    17.956    92.382    32.579    55.726    21.520    22.179  5.5089  18.037  4.4757  4.141682       7.097865 
1 1 1 17  -7  39 o 14.885  4.4677  39.523    19.236    0.0000    0.0000    39.523    19.236    ?       ?       14.885  4.4677  ?              ?        
1 1 1 17  -7  40 f 8.8204  2.8753  -6.7785   13.081    18.950    26.971    -14.6924  14.958    11.274  4.8735  6.3668  3.0525  4.907255       5.750541 
1 1 1 17  -6  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  7  o 186.889 3.6538  4706.13   182.885   4754.16   260.770   4659.65   256.560   187.824 5.1834  185.955 5.1510  1.869064       7.307583 
1 1 1 17  -6  8  o 157.099 3.1735  3321.73   133.492   3300.76   190.911   3341.78   186.730   156.603 4.5514  157.595 4.4237  -0.9916077     6.346964 
1 1 1 17  -6  9  o 239.129 4.5888  7738.30   293.754   8075.35   417.479   7407.78   413.413   244.328 6.3793  233.930 6.5979  10.39825       9.177590 
1 1 1 17  -6  10 f 44.715  1.7425  269.426   20.735    262.246   30.180    275.846   28.537    44.140  2.5637  45.291  2.3606  -1.150570      3.484987 
1 1 1 17  -6  11 o 169.136 3.4276  3855.08   155.262   3829.88   220.891   3879.69   218.281   168.580 4.8919  169.692 4.8025  -1.111679      6.855282 
1 1 1 17  -6  12 o 100.048 2.3738  1344.81   63.579    1338.51   91.293    1350.74   88.596    99.815  3.4147  100.281 3.2984  -0.4656677     4.747620 
1 1 1 17  -6  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  14 o 145.148 3.0473  2835.81   118.414   2962.08   169.516   2715.47   165.482   148.310 4.2673  141.986 4.3513  6.323532       6.094519 
1 1 1 17  -6  15 o 104.683 2.4549  1471.52   68.786    1542.27   99.310    1406.28   95.365    107.099 3.4619  102.266 3.4815  4.833183       4.909761 
1 1 1 17  -6  16 o 65.085  1.9904  565.954   34.570    639.073   50.815    502.956   47.167    68.982  2.7502  61.188  2.8780  7.793762       3.980769 
1 1 1 17  -6  17 o 68.838  2.0361  634.224   37.463    684.052   55.105    591.400   51.085    71.342  2.8837  66.335  2.8752  5.006493       4.072169 
1 1 1 17  -6  18 o 81.090  2.2026  885.778   47.717    872.942   69.752    897.069   65.419    80.522  3.2341  81.658  2.9910  -1.136322      4.405151 
1 1 1 17  -6  19 o 32.050  2.1570  145.297   17.450    109.157   26.284    173.785   23.335    28.225  3.5556  35.876  2.4429  -7.651424      4.313945 
1 1 1 17  -6  20 o 99.598  2.4420  1337.49   65.068    1386.30   94.903    1294.19   89.385    101.299 3.4977  97.897  3.4088  3.401588       4.884072 
1 1 1 17  -6  21 o 76.981  2.2024  801.987   45.211    780.725   66.643    820.118   61.539    76.000  3.2738  77.962  2.9470  -1.961731      4.404783 
1 1 1 17  -6  22 f 24.996  5.2061  89.052    33.723    89.052    33.723    0.0000    0.0000    24.996  5.2061  ?       ?       ?              ?        
1 1 1 17  -6  23 o 18.830  2.4408  47.809    11.668    61.332    18.707    39.199    14.927    20.978  3.4493  16.683  3.4543  4.294523       4.881583 
1 1 1 17  -6  24 o 85.083  2.2936  979.601   52.112    1064.90   77.411    908.910   70.472    88.440  3.2678  81.726  3.2194  6.714149       4.587265 
1 1 1 17  -6  25 o 58.678  2.0897  468.022   32.516    478.030   49.393    460.368   43.196    59.135  3.1295  58.220  2.7700  0.9147339      4.179323 
1 1 1 17  -6  26 o 44.166  2.0374  263.008   23.687    291.949   37.079    243.052   30.789    46.152  3.0161  42.180  2.7400  3.971809       4.074848 
1 1 1 17  -6  27 o 27.502  2.4487  110.401   16.530    88.163    26.475    124.608   21.161    24.864  4.1196  30.140  2.6482  -5.275097      4.897311 
1 1 1 17  -6  28 o 50.851  2.1124  350.711   28.264    387.381   44.476    325.869   36.607    52.979  3.1484  48.722  2.8171  4.256054       4.224737 
1 1 1 17  -6  29 o 25.740  2.6244  97.587    16.380    83.198    27.310    105.671   20.470    23.867  4.4353  27.613  2.8067  -3.746483      5.248789 
1 1 1 17  -6  30 o 50.625  2.1910  352.345   29.054    380.668   46.215    333.835   37.361    52.146  3.3262  49.104  2.8529  3.041279       4.382058 
1 1 1 17  -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -6  32 o 53.110  2.3103  399.517   32.047    406.493   50.685    394.871   41.364    53.196  3.5780  53.025  2.9237  0.1713715      4.620669 
1 1 1 17  -6  33 o 26.261  2.9787  108.873   18.527    90.773    31.802    118.172   22.795    23.770  5.1443  28.753  3.0042  -4.982300      5.957304 
1 1 1 17  -6  34 o 12.977  3.2288  25.533    13.736    18.850    24.687    28.530    16.530    12.394  4.9417  13.560  4.1571  -1.165806      6.457697 
1 1 1 17  -6  35 o 7.8352  2.5729  -9.5785   11.615    -4.6902   21.541    -11.5825  13.792    9.1015  4.1189  6.5688  3.0844  2.532697       5.145768 
1 1 1 17  -6  36 o 20.824  3.3463  76.526    17.124    63.457    31.833    81.848    20.314    18.364  5.7915  23.283  3.3541  -4.919626      6.692654 
1 1 1 17  -6  37 o 23.770  3.3855  98.490    19.514    88.342    34.173    103.400   23.770    21.584  5.7909  25.956  3.5090  -4.371683      6.771066 
1 1 1 17  -6  38 o 19.550  5.9201  77.255    33.666    77.255    33.666    0.0000    0.0000    19.550  5.9201  ?       ?       ?              ?        
1 1 1 17  -6  39 o 13.835  3.6092  32.185    16.212    51.769    30.696    24.609    19.092    15.633  5.6763  12.038  4.4593  3.594666       7.218422 
1 1 1 17  -6  40 o 9.9558  3.1274  8.8714    14.524    15.674    30.189    6.8227    16.567    11.051  4.9489  8.8608  3.8250  2.189968       6.254733 
1 1 1 17  -5  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -5  6  o 111.105 4.9604  1662.25   147.619   1662.25   147.619   0.0000    0.0000    111.105 4.9604  ?       ?       ?              ?        
1 1 1 17  -5  7  o 85.134  2.0844  971.339   47.492    1003.47   68.868    942.201   65.581    86.474  2.9733  83.795  2.9219  2.678658       4.168740 
1 1 1 17  -5  8  o 149.217 3.0807  2994.93   123.120   3026.10   175.360   2964.61   172.902   149.981 4.3652  148.452 4.3484  1.529007       6.161442 
1 1 1 17  -5  9  o 71.908  1.9836  694.307   38.166    680.927   54.894    706.828   53.101    71.233  2.8771  72.583  2.7314  -1.349411      3.967118 
1 1 1 17  -5  10 o 110.027 2.5068  1626.54   73.849    1620.91   105.770   1631.89   103.156   109.837 3.5952  110.218 3.4943  -0.3811417     5.013526 
1 1 1 17  -5  11 o 74.760  2.0762  752.756   41.426    706.600   59.918    795.021   57.337    72.548  3.0835  76.971  2.7811  -4.423004      4.152434 
1 1 1 17  -5  12 o 56.242  1.8843  423.146   28.252    471.324   41.351    380.967   38.690    59.270  2.6047  53.213  2.7237  6.057095       3.768652 
1 1 1 17  -5  13 o 164.298 6.6568  3660.32   292.944   0.0000    0.0000    3660.32   292.944   ?       ?       164.298 6.6568  ?              ?        
1 1 1 17  -5  14 o 122.438 2.7183  2015.94   89.113    2042.12   128.117   1991.40   124.031   123.202 3.8824  121.674 3.8058  1.528603       5.436625 
1 1 1 17  -5  15 o 106.589 2.4701  1524.65   70.292    1704.79   101.771   1360.33   97.201    112.611 3.3741  100.566 3.6085  12.04540       4.940234 
1 1 1 17  -5  16 o 50.108  1.9313  339.125   25.681    324.588   38.100    351.229   34.766    49.067  2.9120  51.149  2.5376  -2.082470      3.862570 
1 1 1 17  -5  17 o 114.588 2.6468  1771.04   81.109    1732.96   117.285   1805.95   112.290   113.383 3.8619  115.792 3.6205  -2.408699      5.293657 
1 1 1 17  -5  18 f 59.988  1.9783  480.361   31.671    532.966   47.172    437.188   42.734    62.956  2.7974  57.019  2.7981  5.936825       3.956639 
1 1 1 17  -5  19 o 151.596 3.2517  3120.34   131.900   3051.90   189.534   3184.62   183.675   149.931 4.7196  153.262 4.4743  -3.330627      6.503412 
1 1 1 17  -5  20 o 115.047 2.6644  1788.35   82.026    1857.20   119.214   1726.46   113.037   117.136 3.7997  112.958 3.7361  4.178345       5.328785 
1 1 1 17  -5  21 o 53.047  2.0099  381.248   28.218    372.251   42.647    388.254   37.634    52.416  3.0508  53.678  2.6175  -1.261768      4.019845 
1 1 1 17  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -5  23 o 71.811  2.1373  693.993   40.950    759.372   61.288    641.266   55.038    74.834  3.0576  68.788  2.9872  6.045876       4.274651 
1 1 1 17  -5  24 o 16.669  2.5804  38.666    10.939    42.770    17.868    36.206    13.834    17.325  3.9395  16.014  3.3338  1.311346       5.160824 
1 1 1 17  -5  25 o 28.432  2.1507  110.580   15.771    114.975   25.221    107.757   20.209    28.821  3.3283  28.043  2.7249  0.7780323      4.301435 
1 1 1 17  -5  26 o 72.505  2.2312  717.386   43.057    735.313   64.961    703.339   57.503    73.233  3.3117  71.777  2.9910  1.456329       4.462484 
1 1 1 17  -5  27 o 31.095  2.1698  132.623   17.492    138.987   27.811    128.457   22.500    31.627  3.3333  30.564  2.7788  1.062775       4.339629 
1 1 1 17  -5  28 o 28.578  2.2746  112.080   16.644    121.426   27.248    106.517   21.022    29.412  3.5292  27.744  2.8703  1.667931       4.549110 
1 1 1 17  -5  29 o 53.468  2.1710  390.484   30.544    428.414   48.045    364.757   39.569    55.521  3.2449  51.415  2.8850  4.105984       4.341920 
1 1 1 17  -5  30 o 28.503  3.8812  116.885   28.861    116.885   28.861    0.0000    0.0000    28.503  3.8812  ?       ?       ?              ?        
1 1 1 17  -5  31 o 20.674  2.8917  61.156    14.944    72.474    25.203    55.019    18.559    21.963  4.4371  19.384  3.7096  2.578255       5.783495 
1 1 1 17  -5  32 o 33.239  2.5049  160.418   21.086    156.328   34.449    162.869   26.665    32.537  4.0398  33.941  2.9628  -1.404652      5.009828 
1 1 1 17  -5  33 o 29.296  2.6270  125.441   19.337    132.229   32.321    121.656   24.133    29.537  4.2039  29.055  3.1516  0.4824944      5.254048 
1 1 1 17  -5  34 o 41.975  2.3899  250.869   25.854    291.246   43.095    228.165   32.316    44.220  3.6717  39.731  3.0602  4.488499       4.779797 
1 1 1 17  -5  35 o 36.118  2.7635  203.490   24.612    186.226   41.003    213.213   30.772    33.994  4.6233  38.243  3.0288  -4.249691      5.527059 
1 1 1 17  -5  36 o 16.314  3.4859  39.560    15.297    66.657    29.247    29.356    17.947    19.194  5.4399  13.433  4.3605  5.761000       6.971876 
1 1 1 17  -5  37 o 16.851  3.1925  55.721    16.649    17.657    31.479    70.503    19.617    12.358  5.3028  21.344  3.5566  -8.986121      6.385077 
1 1 1 17  -5  38 o 12.688  4.7276  26.995    21.521    0.0000    0.0000    26.995    21.521    ?       ?       12.688  4.7276  ?              ?        
1 1 1 17  -5  39 o 10.057  3.1364  7.5078    14.645    14.376    29.026    5.1621    16.963    11.230  4.9504  8.8841  3.8526  2.345530       6.272891 
1 1 1 17  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -4  6  o 107.588 2.4704  1558.19   71.011    1459.11   101.667   1652.58   99.226    104.228 3.6417  110.948 3.3390  -6.720627      4.940748 
1 1 1 17  -4  7  o 54.668  1.8120  402.513   26.399    381.863   38.251    421.295   36.480    53.287  2.6887  56.050  2.4299  -2.763000      3.624035 
1 1 1 17  -4  8  o 147.545 3.0911  2931.82   122.018   2804.12   173.947   3055.52   171.205   144.359 4.4987  150.731 4.2406  -6.371933      6.182269 
1 1 1 17  -4  9  o 101.058 2.3644  1369.97   63.937    1458.26   91.930    1287.24   88.984    104.213 3.2934  97.904  3.3933  6.309105       4.728743 
1 1 1 17  -4  10 o 111.227 2.5531  1664.54   75.950    1600.40   108.986   1725.09   105.899   109.129 3.7286  113.325 3.4888  -4.195778      5.106273 
1 1 1 17  -4  11 o 97.821  2.3441  1284.53   61.381    1300.67   88.589    1269.62   85.128    98.408  3.3609  97.234  3.2686  1.173958       4.688259 
1 1 1 17  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -4  13 o 96.415  2.3859  1253.00   61.409    1177.59   88.720    1322.35   85.084    93.606  3.5386  99.224  3.2014  -5.618301      4.771876 
1 1 1 17  -4  14 o 114.640 2.6555  1773.34   81.274    1657.03   116.992   1881.83   112.990   110.971 3.9360  118.309 3.5656  -7.338264      5.310915 
1 1 1 17  -4  15 o 54.544  1.9410  400.705   28.174    392.003   41.589    408.086   38.303    53.949  2.8885  55.138  2.5935  -1.188744      3.882026 
1 1 1 17  -4  16 o 55.475  1.9649  415.112   28.957    402.642   43.025    425.438   39.152    54.661  2.9496  56.289  2.5968  -1.628262      3.929870 
1 1 1 17  -4  17 o 41.257  1.9442  232.559   21.045    209.072   31.534    251.419   28.258    39.315  3.0176  43.200  2.4522  -3.884560      3.888363 
1 1 1 17  -4  18 o 29.072  2.0256  114.284   15.361    117.778   23.868    111.813   20.070    29.422  3.0741  28.721  2.6385  0.7016773      4.051114 
1 1 1 17  -4  19 o 88.756  2.3989  1073.31   56.455    951.966   82.598    1179.70   77.341    83.945  3.6735  93.567  3.0860  -9.621933      4.797716 
1 1 1 17  -4  20 o 132.652 2.9353  2386.90   104.202   2418.71   150.930   2357.93   144.040   133.466 4.2220  131.839 4.0790  1.627579       5.870515 
1 1 1 17  -4  21 o 109.175 3.8210  1618.34   111.735   1618.34   111.735   0.0000    0.0000    109.175 3.8210  ?       ?       ?              ?        
1 1 1 17  -4  22 o 25.843  2.1855  92.177    14.458    89.228    22.838    94.149    18.676    25.416  3.4433  26.270  2.6923  -0.8537235     4.370943 
1 1 1 17  -4  23 o 64.667  2.1078  565.616   36.279    579.462   54.737    554.768   48.449    65.330  3.1281  64.003  2.8262  1.327354       4.215691 
1 1 1 17  -4  24 f 43.126  1.9957  248.581   22.684    288.813   35.340    220.393   29.581    46.033  2.8807  40.219  2.7627  5.814228       3.991411 
1 1 1 17  -4  25 f 15.598  2.5651  29.854    10.871    58.840    18.326    14.115    13.504    20.459  3.4680  10.738  3.7805  9.721348       5.130269 
1 1 1 17  -4  26 o 23.210  2.5184  78.393    14.383    65.572    23.190    86.407    18.336    21.379  4.1997  25.042  2.7806  -3.663099      5.036750 
1 1 1 17  -4  27 o 20.576  2.5921  57.436    13.496    77.070    21.867    45.354    17.153    23.363  3.6108  17.788  3.7199  5.575438       5.184124 
1 1 1 17  -4  28 o 30.204  2.2889  122.487   17.764    148.512   29.432    107.572   22.281    32.590  3.4228  27.818  3.0397  4.771257       4.577738 
1 1 1 17  -4  29 o 38.263  2.3187  209.472   22.513    184.512   36.056    225.421   28.822    36.074  3.7881  40.452  2.6751  -4.378025      4.637461 
1 1 1 17  -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -4  31 o 35.882  2.4283  183.684   22.196    183.419   36.417    183.841   27.997    35.557  3.8871  36.207  2.9116  -0.6501198     4.856654 
1 1 1 17  -4  32 o 46.552  2.3230  303.493   28.039    337.611   45.936    283.233   35.399    48.336  3.5734  44.767  2.9690  3.569405       4.645914 
1 1 1 17  -4  33 o 27.810  2.9350  123.254   19.406    97.736    32.309    137.656   24.272    24.610  5.0702  31.011  2.9581  -6.401630      5.869999 
1 1 1 17  -4  34 o 14.192  3.2910  27.323    13.937    49.018    24.960    17.495    16.800    17.076  5.0810  11.307  4.1841  5.768971       6.582057 
1 1 1 17  -4  35 o 36.367  2.7219  204.204   24.567    194.471   41.135    209.600   30.629    34.848  4.5130  37.885  3.0441  -3.036987      5.443715 
1 1 1 17  -4  36 o 10.586  3.0986  11.677    13.070    9.2974    26.331    12.456    15.056    11.137  4.8147  10.035  3.9019  1.101363       6.197273 
1 1 1 17  -4  37 o 7.2549  3.5373  -30.9795  22.319    -30.9795  22.319    0.0000    0.0000    7.2549  3.5373  ?       ?       ?              ?        
1 1 1 17  -4  38 o 12.816  3.5027  25.709    15.769    36.890    29.569    21.265    18.641    14.021  5.4634  11.611  4.3849  2.409492       7.005423 
1 1 1 17  -4  39 o 16.904  3.7116  48.980    17.493    90.154    33.059    32.968    20.615    20.548  5.7696  13.259  4.6708  7.288912       7.423204 
1 1 1 17  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -3  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -3  5  o 124.237 2.6479  2073.35   88.106    2061.94   125.227   2084.55   123.983   123.896 3.7736  124.579 3.7156  -0.6832199     5.295808 
1 1 1 17  -3  6  o 139.046 2.9809  2603.54   110.830   2464.39   158.189   2737.71   155.326   135.371 4.3627  142.720 4.0632  -7.348419      5.961829 
1 1 1 17  -3  7  o 159.053 3.2802  3404.59   139.713   3395.88   199.577   3412.95   195.650   158.846 4.6908  159.262 4.5865  -0.4160461     6.560440 
1 1 1 17  -3  8  o 119.154 2.6372  1905.95   84.131    1976.72   120.925   1839.56   117.124   121.296 3.7220  117.011 3.7371  4.285660       5.274395 
1 1 1 17  -3  9  o 134.128 2.8767  2418.68   103.317   2425.59   148.084   2412.12   144.216   134.309 4.1164  133.948 4.0197  0.3609161      5.753463 
1 1 1 17  -3  10 o 35.124  1.7960  165.608   16.731    175.560   24.869    157.379   22.615    36.084  2.5903  34.164  2.4884  1.919983       3.591961 
1 1 1 17  -3  11 o 144.076 3.7272  2779.98   136.570   2738.06   167.947   2861.82   234.646   142.637 4.3959  145.515 6.0203  -2.878128      7.454395 
1 1 1 17  -3  12 f 204.018 5.0218  5674.25   257.069   5575.48   448.158   5722.68   313.834   202.206 8.2746  205.829 5.6925  -3.623352      10.04361 
1 1 1 17  -3  13 o 109.193 2.5135  1599.38   73.418    1716.71   106.294   1492.32   101.529   113.021 3.5112  105.366 3.5975  7.654320       5.026989 
1 1 1 17  -3  14 o 111.403 2.6128  1675.28   77.672    1563.31   112.158   1778.48   107.668   107.788 3.8848  115.018 3.4949  -7.230293      5.225513 
1 1 1 17  -3  15 o 10.971  2.4108  16.233    8.1115    9.1882    12.727    21.052    10.526    9.6549  3.6281  12.287  3.1755  -2.631985      4.821509 
1 1 1 17  -3  16 o 46.142  1.9205  286.494   23.480    291.185   35.371    282.798   31.396    46.465  2.8559  45.819  2.5685  0.6455345      3.841035 
1 1 1 17  -3  17 o 153.545 3.2550  3189.88   133.792   3184.43   192.380   3194.99   186.193   153.391 4.6824  153.699 4.5227  -0.3080444     6.510030 
1 1 1 17  -3  18 o 15.196  2.6966  33.767    11.094    22.821    17.633    40.937    14.272    13.235  4.3235  17.157  3.2240  -3.922430      5.393233 
1 1 1 17  -3  19 o 42.670  2.0410  250.934   22.687    217.067   34.243    277.433   30.289    39.990  3.2243  45.349  2.5033  -5.358669      4.081954 
1 1 1 17  -3  20 o 10.575  2.5405  11.919    8.6021    21.527    14.204    6.3535    10.810    12.587  3.8525  8.5637  3.3127  4.023615       5.080907 
1 1 1 17  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -3  22 o 18.606  2.3920  46.310    11.233    59.283    18.431    38.643    14.168    20.620  3.4597  16.592  3.3042  4.027977       4.784060 
1 1 1 17  -3  23 o 24.340  2.1792  77.437    13.475    107.729   22.011    59.280    17.041    28.026  2.9778  20.654  3.1825  7.371666       4.358359 
1 1 1 17  -3  24 o 53.473  2.0589  385.741   29.114    418.704   44.901    361.829   38.243    55.389  3.0382  51.558  2.7796  3.830372       4.117826 
1 1 1 17  -3  25 o 9.0086  2.5033  6.3804    8.4979    8.7863    14.408    5.0970    10.523    9.8465  3.8201  8.1707  3.2363  1.675783       5.006662 
1 1 1 17  -3  26 o 43.492  2.0818  255.409   23.786    283.497   37.471    236.454   30.783    45.417  3.0988  41.567  2.7809  3.850552       4.163640 
1 1 1 17  -3  27 o 26.242  2.4154  97.275    15.851    93.328    26.085    99.586    19.958    25.630  3.9247  26.855  2.8166  -1.224783      4.830828 
1 1 1 17  -3  28 o 9.6101  2.3006  -7.0283   8.1914    31.446    16.367    -19.8866  9.4617    14.720  4.0322  4.5003  2.2163  10.21966       4.601180 
1 1 1 17  -3  29 o 41.377  3.5701  241.314   39.179    241.314   39.179    0.0000    0.0000    41.377  3.5701  ?       ?       ?              ?        
1 1 1 17  -3  30 o 17.642  3.0578  49.101    14.080    36.455    24.347    55.456    17.260    15.661  5.0784  19.623  3.4074  -3.961454      6.115655 
1 1 1 17  -3  31 o 36.601  2.3685  186.404   22.344    211.295   36.860    171.943   28.095    38.302  3.6365  34.901  3.0356  3.401669       4.736994 
1 1 1 17  -3  32 o 13.171  3.1089  19.052    12.274    43.812    23.424    9.6791    14.411    16.625  4.9165  9.7173  3.8065  6.907189       6.217808 
1 1 1 17  -3  33 o 24.946  3.0752  101.828   18.119    80.199    31.194    112.840   22.258    21.912  5.3592  27.979  3.0179  -6.066339      6.150500 
1 1 1 17  -3  34 o 15.751  3.3881  40.258    14.808    41.400    27.301    39.782    17.626    15.651  5.3832  15.850  4.1154  -0.1988602     6.776103 
1 1 1 17  -3  35 o 8.0333  2.6208  -7.1648   11.054    -1.3668   22.592    -8.9897   12.675    9.5876  4.2883  6.4790  3.0141  3.108603       5.241550 
1 1 1 17  -3  36 o 25.358  3.2651  104.216   19.980    110.732   35.399    101.169   24.204    25.025  5.4367  25.691  3.6175  -0.6664410     6.530213 
1 1 1 17  -3  37 f 8.8018  3.8014  3.5760    16.381    0.0000    0.0000    3.5760    16.381    ?       ?       8.8018  3.8014  ?              ?        
1 1 1 17  -3  38 o 32.262  3.1026  169.707   24.561    198.523   43.397    156.126   29.792    33.155  5.0459  31.369  3.6117  1.785648       6.205297 
1 1 1 17  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -2  3  o 235.564 9.1322  7554.89   576.201   7554.89   576.201   0.0000    0.0000    235.564 9.1322  ?       ?       ?              ?        
1 1 1 17  -2  4  o 143.603 2.9380  2771.94   112.793   2999.91   160.981   2552.10   158.086   149.419 4.0223  137.786 4.2835  11.63336       5.876021 
1 1 1 17  -2  5  o 183.489 3.6376  4533.96   178.770   4551.47   254.253   4516.83   251.408   183.836 5.1635  183.142 5.1251  0.6934814      7.275218 
1 1 1 17  -2  6  o 57.178  1.8174  407.282   26.170    531.737   47.868    354.223   31.255    62.956  2.8387  51.400  2.2702  11.55592       3.634818 
1 1 1 17  -2  7  o 93.399  2.2877  1171.08   57.225    1188.48   80.899    1153.66   80.959    94.095  3.2099  92.703  3.2605  1.392120       4.575367 
1 1 1 17  -2  8  o 213.303 4.1793  6142.62   238.760   6225.95   337.714   6059.33   337.602   214.761 5.8709  211.845 5.9497  2.915741       8.358628 
1 1 1 17  -2  9  o 216.315 4.2435  6320.14   245.858   6383.38   347.641   6256.87   347.750   217.407 5.9699  215.223 6.0324  2.183990       8.487032 
1 1 1 17  -2  10 o 143.655 2.9800  2775.69   114.663   2757.45   161.920   2794.03   162.397   143.181 4.2221  144.129 4.2066  -0.9486389     5.960024 
1 1 1 17  -2  11 o 107.750 4.8374  1564.09   139.611   0.0000    0.0000    1564.09   139.611   ?       ?       107.750 4.8374  ?              ?        
1 1 1 17  -2  12 o 176.258 3.5539  4188.86   167.777   4155.45   236.885   4222.49   237.663   175.550 5.0379  176.966 5.0140  -1.415970      7.107772 
1 1 1 17  -2  13 o 148.122 3.0849  2954.63   122.389   2946.23   172.745   2963.10   173.425   147.911 4.3603  148.333 4.3650  -0.4221344     6.169713 
1 1 1 17  -2  14 o 169.405 3.4329  3872.80   155.764   3891.94   219.994   3853.56   220.574   169.829 4.8363  168.980 4.8734  0.8492279      6.865805 
1 1 1 17  -2  15 o 118.863 2.6065  1901.64   82.969    1856.49   116.979   1947.35   117.696   117.438 3.7189  120.288 3.6530  -2.850121      5.212904 
1 1 1 17  -2  16 o 122.671 2.7340  2028.81   89.815    2069.29   126.778   1988.02   127.259   123.910 3.8199  121.433 3.9126  2.476593       5.468071 
1 1 1 17  -2  17 o 116.532 2.6169  1831.58   81.677    1843.53   115.259   1819.52   115.759   116.918 3.6805  116.145 3.7210  0.7725677      5.233758 
1 1 1 17  -2  18 o 109.516 2.5232  1618.77   74.013    1602.53   104.357   1635.21   104.987   108.962 3.5757  110.071 3.5610  -1.109001      5.046409 
1 1 1 17  -2  19 o 50.985  1.8743  350.744   25.501    340.403   35.723    361.490   36.416    50.214  2.6655  51.755  2.6357  -1.540611      3.748592 
1 1 1 17  -2  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -2  21 o 82.074  2.1537  911.432   47.340    923.915   66.783    898.825   67.115    82.646  3.0169  81.501  3.0744  1.145462       4.307388 
1 1 1 17  -2  22 o 23.538  1.9487  75.898    12.009    68.380    16.726    83.897    17.253    22.297  2.8669  24.778  2.6402  -2.480606      3.897454 
1 1 1 17  -2  23 o 17.778  2.2147  44.922    10.034    54.117    13.974    35.136    14.417    19.811  2.7041  15.745  3.5082  4.065465       4.429375 
1 1 1 17  -2  24 o 82.472  2.9333  950.922   58.932    915.862   106.754   966.289   70.678    80.759  4.9592  84.186  3.1344  -3.426453      5.866697 
1 1 1 17  -2  25 o 33.212  2.2109  155.109   18.777    137.361   29.467    167.242   24.363    31.429  3.5634  34.996  2.6181  -3.567060      4.421815 
1 1 1 17  -2  26 f 29.923  2.2945  124.913   17.523    121.150   28.165    127.290   22.383    29.413  3.6538  30.434  2.7764  -1.021444      4.588919 
1 1 1 17  -2  27 o 38.971  2.1979  206.496   22.284    226.967   35.924    193.692   28.411    40.427  3.3478  37.515  2.8487  2.911533       4.395763 
1 1 1 17  -2  28 o 42.199  2.3033  252.416   24.857    228.791   39.756    267.580   31.850    40.294  3.7257  44.104  2.7092  -3.809845      4.606620 
1 1 1 17  -2  29 o 38.037  3.7481  205.796   37.690    0.0000    0.0000    205.796   37.690    ?       ?       38.037  3.7481  ?              ?        
1 1 1 17  -2  30 o 27.822  2.9536  123.934   19.052    83.219    31.581    147.231   23.889    23.160  5.2163  32.485  2.7721  -9.325350      5.907152 
1 1 1 17  -2  31 o 12.893  2.4368  22.993    12.439    -27.7745  21.628    48.086    15.205    7.5796  3.6435  18.206  3.2367  -10.62624      4.873567 
1 1 1 17  -2  32 o 14.659  3.2536  29.763    13.220    44.793    24.728    23.747    15.644    16.678  5.0789  12.640  4.0680  4.038856       6.507150 
1 1 1 17  -2  33 o 10.778  2.7985  0.0196    11.464    37.872    21.500    -15.0187  13.552    15.329  4.7479  6.2275  2.9636  9.101181       5.596930 
1 1 1 17  -2  34 o 19.198  3.1353  49.485    15.536    98.644    28.505    28.709    18.531    24.912  4.4345  13.483  4.4335  11.42837       6.270623 
1 1 1 17  -2  35 o 15.884  3.4644  39.088    14.953    54.235    28.331    33.239    17.606    17.433  5.4584  14.336  4.2677  3.097438       6.928768 
1 1 1 17  -2  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -2  37 o 13.096  3.2871  29.674    16.442    0.8170    30.041    42.016    19.646    10.587  4.8197  15.604  4.4710  -5.017404      6.574111 
1 1 1 17  -2  38 f 26.765  3.4598  117.744   22.244    169.405   41.675    97.163    26.304    29.717  5.4362  23.814  4.2813  5.903152       6.919623 
1 1 1 17  -1  0  o 74.199  2.4960  744.329   46.063    751.722   55.931    728.740   81.212    74.866  2.7892  73.533  4.1402  1.333115       4.992074 
1 1 1 17  -1  1  o 25.253  1.9403  85.305    11.887    83.419    14.216    89.693    21.676    24.853  2.1569  25.653  3.2261  -0.7996635     3.880679 
1 1 1 17  -1  2  o 85.249  2.1202  975.295   48.388    1011.03   68.440    939.581   68.422    86.813  2.9433  83.684  3.0525  3.128906       4.240395 
1 1 1 17  -1  3  o 159.823 3.2841  3437.57   140.481   3582.53   198.382   3291.77   198.961   163.220 4.5377  156.426 4.7486  6.794144       6.568150 
1 1 1 17  -1  4  o 108.589 2.3835  1582.87   69.321    1584.01   97.506    1581.71   98.572    108.630 3.3511  108.548 3.3903  0.8156586E-01  4.767026 
1 1 1 17  -1  5  o 33.064  1.6155  147.325   14.212    149.598   19.887    144.953   20.316    33.329  2.2408  32.798  2.3278  0.5313454      3.231015 
1 1 1 17  -1  6  o 53.884  1.8064  389.578   26.059    400.743   36.699    378.224   37.009    54.665  2.5064  53.104  2.6019  1.560928       3.612761 
1 1 1 17  -1  7  o 172.313 3.4773  3997.97   160.488   4034.86   227.114   3961.17   226.814   173.111 4.8981  171.515 4.9372  1.595520       6.954659 
1 1 1 17  -1  8  o 165.126 3.3587  3670.58   148.546   3705.32   210.231   3635.95   209.921   165.910 4.7308  164.343 4.7689  1.567337       6.717342 
1 1 1 17  -1  9  o 89.698  2.2396  1080.06   53.806    1081.44   76.099    1078.69   76.088    89.755  3.1654  89.641  3.1690  0.1141281      4.479105 
1 1 1 17  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -1  11 o 106.111 2.4140  1512.44   68.608    1501.71   96.891    1523.22   97.163    105.733 3.4212  106.489 3.4065  -0.7560272     4.827942 
1 1 1 17  -1  12 f 189.632 3.7601  4853.64   190.984   4857.16   269.864   4850.12   270.322   189.703 5.3111  189.562 5.3240  0.1411591      7.520173 
1 1 1 17  -1  13 o 143.720 3.0074  2781.56   115.766   2795.52   163.446   2767.51   163.991   144.085 4.2351  143.355 4.2709  0.7303009      6.014707 
1 1 1 17  -1  14 o 114.858 2.5728  1774.75   79.149    1760.14   111.615   1789.53   112.256   114.382 3.6431  115.334 3.6338  -0.9522247     5.145588 
1 1 1 17  -1  15 o 116.232 2.5729  1818.83   80.099    1806.73   112.964   1831.06   113.593   115.843 3.6407  116.621 3.6365  -0.7783279     5.145761 
1 1 1 17  -1  16 o 80.006  2.1254  861.294   45.524    888.433   64.178    833.807   64.586    81.281  2.9478  78.730  3.0627  2.551270       4.250893 
1 1 1 17  -1  17 o 115.898 2.6136  1812.96   81.120    1846.39   114.507   1779.29   114.937   116.981 3.6545  114.816 3.7374  2.165047       5.227164 
1 1 1 17  -1  18 o 87.799  2.2306  1039.26   52.457    1037.40   73.973    1041.14   74.401    87.721  3.1483  87.877  3.1609  -0.1552887     4.461297 
1 1 1 17  -1  19 o 49.389  2.5998  329.367   34.272    329.367   34.272    0.0000    0.0000    49.389  2.5998  ?       ?       ?              ?        
1 1 1 17  -1  20 o 74.632  2.0905  752.362   41.771    723.043   58.759    782.316   59.392    73.153  2.9988  76.111  2.9133  -2.958199      4.180957 
1 1 1 17  -1  21 o 20.744  2.0228  59.285    10.934    60.548    15.356    57.986    15.574    20.984  2.8021  20.505  2.9180  0.4791126      4.045541 
1 1 1 17  -1  22 o 84.866  2.2358  978.792   50.800    1006.13   71.610    951.094   72.077    86.081  3.1058  83.652  3.2169  2.429153       4.471504 
1 1 1 17  -1  23 o 52.456  1.9023  373.484   26.652    353.046   37.419    394.527   37.969    50.948  2.7523  53.963  2.6269  -3.015434      3.804692 
1 1 1 17  -1  24 o 65.077  2.0246  576.132   35.286    579.261   49.675    572.945   50.133    65.262  2.8417  64.891  2.8844  0.3717575      4.049106 
1 1 1 17  -1  25 o 24.926  2.0471  85.955    13.380    89.877    18.655    81.801    19.202    25.551  2.7702  24.301  3.0148  1.250196       4.094251 
1 1 1 17  -1  26 o 57.069  1.9858  445.353   30.297    451.488   42.613    439.081   43.084    57.517  2.7660  56.622  2.8499  0.8951759      3.971509 
1 1 1 17  -1  27 o 63.287  2.0883  550.300   35.374    571.521   49.891    528.847   50.162    64.550  2.8856  62.024  3.0194  2.526104       4.176589 
1 1 1 17  -1  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  -1  29 o 27.780  2.1127  108.300   15.457    111.287   21.635    105.186   22.092    28.209  2.9049  27.351  3.0685  0.8578434      4.225431 
1 1 1 17  -1  30 o 17.535  3.1619  45.618    14.257    50.484    24.835    43.226    17.412    18.030  4.9786  17.040  3.8993  0.9896183      6.323809 
1 1 1 17  -1  31 o 15.260  3.0059  38.954    14.070    11.788    24.909    51.683    17.051    11.796  4.8670  18.724  3.5292  -6.927983      6.011893 
1 1 1 17  -1  32 o 40.056  2.4958  233.369   25.456    239.554   42.250    229.844   31.895    40.001  3.9969  40.111  2.9902  -0.1098976     4.991651 
1 1 1 17  -1  33 o 7.8335  2.5650  -11.4728  10.626    2.6068    21.652    -15.9398  12.196    9.9572  4.3353  5.7098  2.7425  4.247319       5.129924 
1 1 1 17  -1  34 o 44.240  2.5416  284.862   28.643    322.439   48.782    265.089   35.385    45.849  4.0127  42.631  3.1206  3.218250       5.083276 
1 1 1 17  -1  35 o 14.162  3.2229  34.839    15.478    8.3295    28.514    45.914    18.430    11.397  4.9683  16.928  4.1066  -5.531182      6.445806 
1 1 1 17  -1  36 o 12.751  3.4466  16.869    14.574    48.918    30.269    7.1961    16.629    16.116  5.6611  9.3870  3.9330  6.728796       6.893222 
1 1 1 17  -1  37 o 25.959  3.4611  114.076   21.275    132.159   39.571    106.723   25.232    26.058  5.8169  25.860  3.7524  0.1981621      6.922183 
1 1 1 17  0   0  o 39.239  1.6156  207.191   16.898    210.388   23.648    203.855   24.156    39.553  2.2413  38.926  2.3275  0.6274910      3.231266 
1 1 1 17  0   1  o 144.872 2.9901  2820.51   116.025   2846.26   164.059   2794.74   164.110   145.536 4.2086  144.208 4.2487  1.327835       5.980296 
1 1 1 17  0   2  f 186.152 3.7073  4666.34   184.820   4754.15   261.251   4578.36   261.498   187.915 5.1905  184.389 5.2948  3.526611       7.414539 
1 1 1 17  0   3  o 104.142 2.3182  1455.65   64.663    1458.49   91.170    1452.77   91.725    104.246 3.2652  104.039 3.2916  0.2067947      4.636370 
1 1 1 17  0   4  o 141.729 2.9324  2699.95   111.308   2727.00   156.891   2672.53   157.941   142.448 4.1120  141.010 4.1817  1.438156       5.864751 
1 1 1 17  0   5  o 66.836  1.9435  599.358   34.784    608.869   48.920    589.633   49.469    67.374  2.7108  66.299  2.7857  1.075684       3.887018 
1 1 1 17  0   6  o 34.076  1.7008  156.471   15.424    155.883   21.727    157.068   21.899    34.011  2.4004  34.140  2.4102  -0.1287880     3.401681 
1 1 1 17  0   7  o 206.676 4.0840  5763.09   226.080   5779.62   319.899   5746.60   319.552   206.973 5.7705  206.378 5.7808  0.5949097      8.167971 
1 1 1 17  0   8  o 168.093 4.2181  3828.16   178.217   3854.12   217.758   3775.50   310.146   169.197 4.8050  166.989 6.9341  2.207870       8.436222 
1 1 1 17  0   9  o 11.194  2.4882  15.760    9.6486    -3.0231   15.821    26.884    12.175    8.5149  3.7066  13.874  3.3206  -5.358595      4.976476 
1 1 1 17  0   10 o 37.304  1.7279  187.442   17.169    186.720   24.271    188.165   24.290    37.232  2.4475  37.377  2.4397  -0.1450310     3.455737 
1 1 1 17  0   11 o 122.214 2.6897  2008.11   88.036    1971.35   124.389   2044.99   124.616   121.090 3.8352  123.339 3.7721  -2.248856      5.379348 
1 1 1 17  0   12 o 73.538  2.0171  726.209   39.713    750.214   56.092    702.083   56.234    74.760  2.8012  72.316  2.9032  2.444016       4.034218 
1 1 1 17  0   13 o 44.078  1.7775  261.909   20.868    275.137   29.339    248.363   29.689    45.217  2.4313  42.939  2.5936  2.278072       3.554992 
1 1 1 17  0   14 o 47.914  1.8197  309.304   23.251    320.074   32.727    298.327   33.040    48.765  2.5141  47.063  2.6315  1.701904       3.639436 
1 1 1 17  0   15 o 122.389 2.6677  2018.73   87.448    2036.41   123.397   2000.91   123.944   122.932 3.7476  121.845 3.7978  1.086296       5.335487 
1 1 1 17  0   16 o 95.184  2.3235  1220.10   59.237    1211.10   83.463    1229.24   84.087    94.830  3.2859  95.538  3.2860  -0.7076569     4.647024 
1 1 1 17  0   17 o 42.909  1.8311  248.537   20.942    250.698   29.352    246.295   29.888    43.105  2.5536  42.714  2.6251  0.3905602      3.662294 
1 1 1 17  0   18 o 99.087  2.3846  1326.43   63.266    1359.66   89.207    1292.81   89.738    100.349 3.3189  97.826  3.4248  2.523727       4.769103 
1 1 1 17  0   19 o 26.714  2.6557  97.113    18.751    0.0000    0.0000    97.113    18.751    ?       ?       26.714  2.6557  ?              ?        
1 1 1 17  0   20 o 60.962  1.9659  502.243   32.077    521.172   45.210    483.054   45.520    62.131  2.7167  59.793  2.8422  2.337921       3.931751 
1 1 1 17  0   21 o 96.723  2.3788  1271.80   61.617    1291.63   86.867    1251.72   87.415    97.498  3.3264  95.948  3.4014  1.549377       4.757556 
1 1 1 17  0   22 o 25.522  1.9864  90.012    13.166    105.173   18.599    74.785    18.639    27.775  2.5277  23.270  3.0650  4.504650       3.972870 
1 1 1 17  0   23 o 38.986  1.8527  207.070   19.219    214.889   27.081    199.134   27.281    39.746  2.5574  38.226  2.6815  1.520458       3.705462 
1 1 1 17  0   24 o 56.371  1.9442  432.019   29.354    429.537   41.252    434.564   41.778    56.210  2.7399  56.532  2.7591  -0.3220596     3.888382 
1 1 1 17  0   25 o 11.015  2.5368  16.178    8.7527    20.118    11.914    11.558    12.901    11.968  3.4970  10.062  3.6759  1.906503       5.073578 
1 1 1 17  0   26 f 26.200  2.0750  95.259    14.283    98.993    19.922    91.308    20.488    26.768  2.8211  25.632  3.0437  1.136179       4.150016 
1 1 1 17  0   27 o 14.669  3.7700  31.205    14.893    31.205    14.893    0.0000    0.0000    14.669  3.7700  ?       ?       ?              ?        
1 1 1 17  0   28 o 11.959  2.6873  20.052    9.6795    19.529    13.774    20.562    13.605    11.845  3.8176  12.073  3.7830  -0.2278261     5.374543 
1 1 1 17  0   29 o 14.946  2.7340  33.050    11.031    32.145    15.576    33.961    15.624    14.739  3.8890  15.153  3.8437  -0.4136629     5.467946 
1 1 1 17  0   30 o 51.300  2.0454  368.969   27.967    349.293   39.238    389.288   39.873    49.859  2.9512  52.741  2.8329  -2.881340      4.090881 
1 1 1 17  0   31 o 40.109  2.0627  227.816   22.000    219.873   30.647    236.260   31.599    39.379  2.9265  40.840  2.9077  -1.461887      4.125402 
1 1 1 17  0   32 o 30.893  2.1884  137.835   17.829    128.522   25.080    147.349   25.349    29.756  3.1969  32.030  2.9893  -2.273659      4.376804 
1 1 1 17  0   33 o 23.424  2.4491  81.886    14.853    89.071    21.086    74.811    20.925    24.575  3.2856  22.273  3.6327  2.302309       4.898149 
1 1 1 17  0   34 o 12.356  3.3289  18.214    13.759    33.471    26.988    12.856    15.993    14.379  5.3068  10.334  4.0204  4.045732       6.657725 
1 1 1 17  0   35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  0   36 o 24.199  3.5409  104.791   20.498    96.120    37.407    108.512   24.504    21.913  6.1318  26.486  3.5429  -4.572325      7.081779 
1 1 1 17  0   37 o 10.982  3.1263  -6.0638   13.526    52.450    28.813    -22.6054  15.320    15.980  5.5283  5.9849  2.9208  9.995141       6.252514 
1 1 1 17  1   0  o 101.338 2.3419  1378.26   63.559    1405.00   89.971    1351.62   89.801    102.321 3.2828  100.354 3.3408  1.966454       4.683816 
1 1 1 17  1   1  o 73.772  1.9366  729.921   38.263    743.525   54.242    716.447   53.982    74.457  2.7198  73.087  2.7575  1.369820       3.873146 
1 1 1 17  1   2  o 99.901  2.2929  1339.46   61.350    1353.44   86.587    1325.37   86.938    100.425 3.2190  99.376  3.2662  1.049774       4.585827 
1 1 1 17  1   3  o 95.079  2.2169  1213.97   56.410    1264.47   79.502    1162.78   80.052    97.076  3.0576  93.082  3.2108  3.994041       4.433758 
1 1 1 17  1   4  o 110.363 2.4567  1635.15   72.619    1616.39   102.202   1654.28   103.205   109.723 3.4775  111.002 3.4712  -1.278984      4.913482 
1 1 1 17  1   5  o 255.659 4.9425  8844.53   338.442   8755.89   478.120   8933.54   479.140   254.365 7.0176  256.954 6.9618  -2.588669      9.885002 
1 1 1 17  1   6  o 69.259  2.0035  643.526   37.166    641.721   52.406    645.354   52.717    69.162  2.8290  69.357  2.8378  -0.1951218     4.006987 
1 1 1 17  1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  1   8  o 179.223 3.5908  4327.30   172.373   4307.88   243.971   4346.65   243.573   178.818 5.0937  179.628 5.0625  -0.8094940     7.181595 
1 1 1 17  1   9  o 80.847  2.1166  877.632   45.806    842.416   64.812    912.777   64.746    79.222  3.0543  82.472  2.9310  -3.249397      4.233196 
1 1 1 17  1   10 o 54.909  1.8216  404.464   26.788    410.639   37.963    398.339   37.807    55.327  2.5617  54.491  2.5903  0.8359375      3.643110 
1 1 1 17  1   11 o 161.982 3.3624  3536.27   145.870   3594.75   206.352   3477.86   206.232   163.329 4.7169  160.635 4.7932  2.693420       6.724889 
1 1 1 17  1   12 o 66.691  1.9962  597.614   35.610    634.120   50.405    561.239   50.315    68.731  2.7380  64.651  2.9056  4.079697       3.992383 
1 1 1 17  1   13 o 44.213  1.7984  263.246   21.207    262.213   29.874    264.297   30.110    44.125  2.5384  44.300  2.5483  -0.1746063     3.596818 
1 1 1 17  1   14 o 47.643  1.8005  305.651   22.892    302.182   32.248    309.175   32.502    47.369  2.5511  47.916  2.5415  -0.5475883     3.600985 
1 1 1 17  1   15 o 72.328  2.0400  703.440   39.517    688.871   55.707    718.197   56.065    71.572  2.9059  73.084  2.8640  -1.511909      4.080041 
1 1 1 17  1   16 o 48.920  1.8452  322.740   24.084    327.313   33.854    318.053   34.269    49.276  2.5739  48.563  2.6445  0.7127953      3.690324 
1 1 1 17  1   17 o 48.458  1.8489  317.329   23.868    335.249   33.573    299.016   33.939    49.860  2.5221  47.056  2.7041  2.803902       3.697733 
1 1 1 17  1   18 o 56.255  3.6502  430.286   54.704    0.0000    0.0000    430.286   54.704    ?       ?       56.255  3.6502  ?              ?        
1 1 1 17  1   19 o 69.087  2.0125  644.734   37.226    660.724   52.394    628.433   52.901    69.962  2.7959  68.211  2.8955  1.750488       4.025057 
1 1 1 17  1   20 o 55.725  1.8904  419.500   28.213    419.609   39.654    419.389   40.148    55.735  2.6563  55.714  2.6904  0.2079010E-01  3.780718 
1 1 1 17  1   21 o 39.814  1.8330  215.224   19.426    204.661   27.299    226.060   27.649    38.810  2.6419  40.818  2.5416  -2.008480      3.665972 
1 1 1 17  1   22 o 32.822  1.8504  146.830   16.123    140.598   22.704    153.171   22.900    32.105  2.6643  33.540  2.5686  -1.434700      3.700830 
1 1 1 17  1   23 o 49.569  1.9150  334.978   25.282    356.575   35.688    313.218   35.821    51.208  2.6106  47.930  2.8025  3.278599       3.830025 
1 1 1 17  1   24 o 24.482  2.0553  82.889    13.188    84.848    18.266    80.756    19.060    24.815  2.7968  24.148  3.0124  0.6675701      4.110573 
1 1 1 17  1   25 o 77.825  2.2138  831.035   46.121    857.161   64.971    804.497   65.482    79.095  3.0668  76.554  3.1935  2.541077       4.427587 
1 1 1 17  1   26 o 17.302  2.4482  43.103    10.938    51.219    15.449    34.944    15.489    19.060  3.1351  15.543  3.7611  3.517128       4.896417 
1 1 1 17  1   27 o 13.135  3.0433  24.637    11.962    15.695    23.201    27.874    13.961    12.406  4.8380  13.863  3.6933  -1.456443      6.086657 
1 1 1 17  1   28 o 11.326  2.7456  17.046    10.090    19.623    14.272    14.471    14.266    11.880  3.8901  10.771  3.8757  1.108969       5.491285 
1 1 1 17  1   29 o 16.162  2.6549  38.728    11.316    33.218    15.931    44.341    16.078    14.931  3.9299  17.394  3.5706  -2.463095      5.309716 
1 1 1 17  1   30 o 9.6050  2.6091  9.0466    9.6609    15.257    14.009    3.4141    13.341    10.768  3.8441  8.4417  3.5287  2.326619       5.218174 
1 1 1 17  1   31 o 17.361  2.6484  45.655    11.961    49.872    16.775    41.293    17.060    18.288  3.5525  16.435  3.9289  1.853292       5.296830 
1 1 1 17  1   32 o 7.6904  2.3716  -2.0907   9.4472    -8.8234   13.115    5.1703    13.620    6.6887  3.0958  8.6922  3.5936  -2.003546      4.743186 
1 1 1 17  1   33 o 11.196  2.8093  17.607    10.703    21.907    15.065    13.225    15.210    12.058  3.9991  10.334  3.9468  1.723994       5.618679 
1 1 1 17  1   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  1   35 o 10.274  2.6878  7.4942    11.577    29.615    17.014    -11.5750  15.797    13.474  4.2319  7.0735  3.3148  6.400995       5.375571 
1 1 1 17  1   36 o 10.703  2.8375  15.601    11.484    25.078    16.471    6.6353    16.020    12.324  4.1824  9.0825  3.8357  3.241011       5.674925 
1 1 1 17  2   0  o 187.205 3.7258  4719.16   186.789   4815.77   264.074   4622.43   264.244   189.133 5.2128  185.277 5.3247  3.856354       7.451556 
1 1 1 17  2   1  o 156.160 3.2017  3279.29   133.905   3325.75   189.166   3232.62   189.575   157.274 4.4905  155.046 4.5649  2.227905       6.403366 
1 1 1 17  2   2  o 45.588  1.6702  279.456   20.318    271.501   28.747    287.397   28.722    44.936  2.3971  46.241  2.3264  -1.305641      3.340390 
1 1 1 17  2   3  o 69.461  1.9081  647.205   35.495    653.083   49.939    641.203   50.460    69.781  2.6719  69.141  2.7247  0.6396332      3.816136 
1 1 1 17  2   4  o 179.668 3.5429  4345.80   170.498   4335.95   240.483   4355.76   241.762   179.465 5.0028  179.872 5.0181  -0.4066467     7.085858 
1 1 1 17  2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  2   6  o 54.719  2.7821  408.757   40.000    367.241   59.317    443.380   54.169    52.087  4.2898  57.351  3.5437  -5.264690      5.564176 
1 1 1 17  2   7  o 195.328 3.9015  5144.69   204.113   5096.50   288.716   5192.84   288.602   194.407 5.5446  196.249 5.4904  -1.841995      7.803019 
1 1 1 17  2   8  o 65.073  1.9832  568.155   34.566    576.161   48.973    560.207   48.794    65.531  2.7901  64.616  2.8193  0.9149323      3.966496 
1 1 1 17  2   9  o 72.932  2.0116  713.830   39.291    728.781   55.661    698.981   55.471    73.695  2.8199  72.170  2.8696  1.524986       4.023200 
1 1 1 17  2   10 o 24.142  1.8701  79.701    11.782    69.643    16.875    89.267    16.458    22.601  2.8510  25.684  2.4209  -3.082510      3.740206 
1 1 1 17  2   11 o 74.245  2.0378  740.085   40.525    738.476   57.366    741.687   57.255    74.164  2.8878  74.326  2.8760  -0.1618423     4.075623 
1 1 1 17  2   12 o 84.791  2.2119  966.100   50.233    977.781   71.040    954.418   71.039    85.305  3.1092  84.276  3.1470  1.028702       4.423874 
1 1 1 17  2   13 o 182.125 3.6511  4489.71   178.097   4429.11   251.726   4550.43   252.009   180.883 5.1957  183.368 5.1310  -2.484848      7.302222 
1 1 1 17  2   14 o 46.780  1.8456  294.936   23.031    299.448   32.547    290.411   32.596    47.142  2.5875  46.418  2.6326  0.7239609      3.691298 
1 1 1 17  2   15 o 47.246  1.8311  301.060   23.070    289.878   32.655    312.202   32.598    46.361  2.6407  48.131  2.5376  -1.770069      3.662291 
1 1 1 17  2   16 o 65.280  1.9797  573.691   34.612    578.723   48.767    568.583   49.132    65.571  2.7767  64.988  2.8226  0.5823898      3.959377 
1 1 1 17  2   17 o 63.995  3.7864  556.548   64.613    0.0000    0.0000    556.548   64.613    ?       ?       63.995  3.7864  ?              ?        
1 1 1 17  2   18 o 53.845  1.8858  391.451   27.149    394.385   38.157    388.442   38.636    54.088  2.6338  53.603  2.6997  0.4844017      3.771665 
1 1 1 17  2   19 o 70.543  2.0652  672.929   39.020    668.461   54.862    677.503   55.509    70.308  2.9133  70.779  2.9280  -0.4704285     4.130413 
1 1 1 17  2   20 o 77.939  2.1361  823.630   44.589    828.080   62.768    819.097   63.353    78.158  2.9983  77.719  3.0434  0.4392548      4.272199 
1 1 1 17  2   21 o 64.020  2.0018  555.808   34.324    555.336   48.303    556.288   48.785    63.996  2.8179  64.044  2.8439  -0.4750061E-01 4.003561 
1 1 1 17  2   22 o 56.465  1.9489  432.726   29.474    430.529   41.409    434.982   41.962    56.323  2.7449  56.607  2.7675  -0.2843018     3.897892 
1 1 1 17  2   23 o 27.402  1.9669  102.998   14.207    95.015    19.764    111.535   20.438    26.276  2.8541  28.528  2.7071  -2.252037      3.933783 
1 1 1 17  2   24 o 41.022  1.9154  230.285   20.909    237.308   29.299    222.997   29.848    41.684  2.6378  40.360  2.7780  1.324486       3.830803 
1 1 1 17  2   25 o 25.718  2.0563  91.728    13.867    83.514    19.501    100.132   19.723    24.500  3.0367  26.936  2.7734  -2.435595      4.112583 
1 1 1 17  2   26 o 56.321  3.8828  446.728   58.216    0.0000    0.0000    446.728   58.216    ?       ?       56.321  3.8828  ?              ?        
1 1 1 17  2   27 f 32.325  2.0279  145.405   17.310    131.386   24.331    159.773   24.631    30.680  2.9992  33.970  2.7301  -3.290668      4.055735 
1 1 1 17  2   28 o 14.137  2.7602  29.519    10.846    32.806    15.235    26.142    15.443    14.902  3.8040  13.372  4.0006  1.529899       5.520418 
1 1 1 17  2   29 o 12.246  2.6489  21.091    10.288    9.0820    14.819    32.264    14.294    9.7527  3.8475  14.739  3.6419  -4.986110      5.297807 
1 1 1 17  2   30 o 15.852  2.6733  38.109    11.596    23.615    16.241    53.179    16.561    12.667  4.1499  19.037  3.3713  -6.370368      5.346665 
1 1 1 17  2   31 o 21.608  2.4850  69.264    13.826    60.858    19.316    78.097    19.800    20.115  3.7223  23.101  3.2932  -2.986225      4.969940 
1 1 1 17  2   32 o 26.987  2.3913  107.780   16.791    117.021   23.420    98.006    24.086    28.363  3.1353  25.610  3.6115  2.752295       4.782548 
1 1 1 17  2   33 o 11.878  4.2043  20.671    16.723    20.671    16.723    0.0000    0.0000    11.878  4.2043  ?       ?       ?              ?        
1 1 1 17  2   34 o 23.290  2.5914  83.124    15.630    81.811    21.905    84.485    22.309    23.102  3.6621  23.478  3.6674  -0.3763199     5.182705 
1 1 1 17  2   35 o 8.3769  2.5371  0.9329    10.738    -9.8592   15.531    10.818    14.864    7.1231  3.3212  9.6306  3.8362  -2.507447      5.074152 
1 1 1 17  3   0  o 23.841  1.7573  78.240    10.820    62.701    15.527    92.912    15.087    21.444  2.7679  26.238  2.1661  -4.793821      3.514696 
1 1 1 17  3   1  o 115.299 2.5278  1784.85   78.065    1776.57   110.165   1793.19   110.636   115.030 3.5756  115.567 3.5742  -0.5370255     5.055619 
1 1 1 17  3   2  o 99.955  2.3200  1341.50   62.085    1381.02   87.533    1301.49   88.073    101.441 3.2216  98.469  3.3393  2.972069       4.639969 
1 1 1 17  3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  3   4  o 113.396 3.6473  1740.87   110.082   1581.69   157.561   1892.67   153.863   108.204 5.4540  118.589 4.8440  -10.38496      7.294538 
1 1 1 17  3   5  o 243.391 4.7587  8010.54   310.222   7944.73   438.186   8076.68   439.257   242.382 6.7495  244.400 6.7101  -2.018234      9.517385 
1 1 1 17  3   6  o 16.930  2.0831  39.630    9.0912    36.994    12.912    42.222    12.803    16.339  3.0629  17.520  2.8243  -1.181038      4.166241 
1 1 1 17  3   7  o 87.241  2.2087  1021.68   51.601    996.761   72.866    1046.74   73.083    86.172  3.1570  88.310  3.0897  -2.138336      4.417347 
1 1 1 17  3   8  o 234.958 4.5512  7469.07   286.418   7514.95   405.282   7423.30   404.831   235.685 6.4200  234.231 6.4527  1.453598       9.102409 
1 1 1 17  3   9  o 241.767 4.6371  7918.23   300.284   7911.56   424.897   7924.90   424.434   241.662 6.5643  241.871 6.5514  -0.2089996     9.274210 
1 1 1 17  3   10 o 112.892 2.5823  1713.72   78.062    1764.79   110.613   1663.05   110.182   114.573 3.6044  111.210 3.6989  3.363167       5.164676 
1 1 1 17  3   11 o 85.837  2.2005  989.957   50.590    998.643   71.634    981.315   71.456    86.213  3.1021  85.460  3.1217  0.7529831      4.400913 
1 1 1 17  3   12 o 152.302 3.2145  3131.62   131.130   3157.97   185.497   3105.29   185.396   152.947 4.5280  151.657 4.5640  1.290771       6.429096 
1 1 1 17  3   13 o 12.055  2.4390  20.025    8.2792    20.826    11.636    19.203    11.782    12.262  3.4159  11.847  3.4822  0.4150314      4.877921 
1 1 1 17  3   14 o 47.697  1.8688  306.887   23.763    320.848   33.622    292.955   33.588    48.792  2.5819  46.602  2.7025  2.189842       3.737577 
1 1 1 17  3   15 o 29.716  2.4297  119.965   17.104    119.009   20.235    122.357   32.009    29.637  2.5746  29.794  4.1214  -0.1564083     4.859450 
1 1 1 17  3   16 o 21.949  2.7681  65.901    15.912    0.0000    0.0000    65.901    15.912    ?       ?       21.949  2.7681  ?              ?        
1 1 1 17  3   17 o 49.778  1.8851  334.936   25.040    338.496   35.395    331.369   35.430    50.046  2.6499  49.509  2.6817  0.5365562      3.770137 
1 1 1 17  3   18 o 82.966  2.2140  931.914   49.188    950.784   69.360    912.823   69.766    83.823  3.0893  82.109  3.1722  1.713364       4.427936 
1 1 1 17  3   19 f 89.220  2.2878  1080.50   54.669    1086.39   77.056    1074.53   77.574    89.472  3.2154  88.968  3.2553  0.5041351      4.575540 
1 1 1 17  3   20 o 49.368  1.8898  330.796   24.880    316.236   34.979    345.705   35.396    48.254  2.7175  50.481  2.6269  -2.227402      3.779569 
1 1 1 17  3   21 o 37.892  1.8647  195.647   18.735    175.239   26.271    216.766   26.725    35.842  2.7577  39.943  2.5107  -4.101383      3.729421 
1 1 1 17  3   22 o 34.065  1.9007  158.498   17.199    160.448   24.220    156.514   24.426    34.285  2.6582  33.845  2.7173  0.4396172      3.801331 
1 1 1 17  3   23 o 15.179  2.4637  32.891    9.8057    33.831    13.763    31.922    13.974    15.411  3.4233  14.948  3.5441  0.4629784      4.927417 
1 1 1 17  3   24 o 39.315  1.9645  213.261   20.393    238.058   28.531    187.358   29.160    41.745  2.5641  36.885  2.9770  4.859901       3.928956 
1 1 1 17  3   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  3   26 o 10.914  2.6183  15.760    9.2285    12.129    13.696    18.778    12.489    10.243  3.7804  11.584  3.6237  -1.340884      5.236653 
1 1 1 17  3   27 o 27.456  2.2532  107.095   16.046    123.603   22.619    90.370    22.767    29.753  2.8740  25.159  3.4709  4.594002       4.506310 
1 1 1 17  3   28 o 18.809  2.6218  52.169    12.724    61.433    18.143    43.202    17.849    20.614  3.4047  17.004  3.9880  3.610027       5.243646 
1 1 1 17  3   29 o 16.324  2.7391  40.008    11.958    51.108    17.299    29.850    16.549    18.589  3.6045  14.059  4.1253  4.530664       5.478204 
1 1 1 17  3   30 o 57.034  2.1596  463.569   32.866    453.829   46.089    473.647   46.881    56.415  3.0615  57.653  3.0467  -1.238266      4.319184 
1 1 1 17  3   31 o 28.397  2.3561  118.934   17.154    144.138   24.306    93.922    24.213    31.741  2.8906  25.052  3.7214  6.688967       4.712180 
1 1 1 17  3   32 o 17.506  2.8500  47.804    13.087    46.149    18.816    49.355    18.215    17.139  4.1443  17.872  3.9135  -0.7334557     5.700008 
1 1 1 17  3   33 o 26.717  2.5197  107.508   17.580    108.956   25.064    106.106   24.666    26.893  3.5676  26.542  3.5593  0.3508472      5.039450 
1 1 1 17  3   34 o 8.8265  2.5693  4.2145    10.464    -6.6973   15.088    14.329    14.526    7.3616  3.3756  10.291  3.8743  -2.929880      5.138600 
1 1 1 17  3   35 o 11.001  2.8679  17.098    11.920    5.6134    17.153    27.823    16.576    9.1293  3.9158  12.872  4.1912  -3.742962      5.735855 
1 1 1 17  4   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  4   1  o 145.657 5.8841  2861.02   229.562   0.0000    0.0000    2861.02   229.562   ?       ?       145.657 5.8841  ?              ?        
1 1 1 17  4   2  o 174.019 3.4537  4078.22   160.820   4278.44   227.118   3876.88   227.749   178.327 4.7549  169.710 5.0103  8.617508       6.907408 
1 1 1 17  4   3  o 159.392 3.2264  3419.41   137.633   3566.75   194.189   3270.68   195.099   162.861 4.4516  155.923 4.6715  6.938248       6.452879 
1 1 1 17  4   4  o 80.119  2.1239  861.544   45.565    876.860   64.100    845.899   64.784    80.841  2.9603  79.397  3.0463  1.444412       4.247768 
1 1 1 17  4   5  o 63.086  1.9621  533.911   33.143    514.644   46.660    553.529   47.084    61.936  2.8126  64.237  2.7365  -2.300255      3.924216 
1 1 1 17  4   6  o 258.892 4.9429  9080.51   342.561   8713.96   483.812   9449.02   485.101   253.596 7.1227  264.188 6.8553  -10.59248      9.885784 
1 1 1 17  4   7  o 43.897  1.8153  259.342   21.249    254.329   29.896    264.460   30.208    43.466  2.5794  44.328  2.5550  -0.8622551     3.630611 
1 1 1 17  4   8  o 126.499 2.8001  2152.08   94.872    2170.66   134.263   2133.56   134.075   127.047 3.9455  125.952 3.9742  1.094330       5.600131 
1 1 1 17  4   9  o 130.314 2.8517  2285.44   99.526    2250.29   140.896   2320.44   140.606   129.309 4.0680  131.320 3.9975  -2.011246      5.703368 
1 1 1 17  4   10 o 164.195 3.3662  3638.15   148.033   3692.36   209.613   3584.21   209.090   165.423 4.7308  162.967 4.7901  2.456100       6.732400 
1 1 1 17  4   11 o 73.839  2.0680  732.593   40.899    734.966   57.942    730.237   57.738    73.958  2.9250  73.719  2.9241  0.2382584      4.135925 
1 1 1 17  4   12 o 101.905 2.4424  1398.24   66.659    1423.15   94.395    1373.47   94.147    102.814 3.4277  100.995 3.4803  1.818855       4.884849 
1 1 1 17  4   13 o 60.603  1.9739  493.865   32.040    491.432   45.234    496.314   45.390    60.453  2.7936  60.753  2.7894  -0.2998695     3.947747 
1 1 1 17  4   14 o 43.756  3.4759  259.911   40.402    259.911   40.402    0.0000    0.0000    43.756  3.4759  ?       ?       ?              ?        
1 1 1 17  4   15 o 38.775  1.8418  203.277   19.015    201.506   27.032    205.011   26.753    38.603  2.6300  38.946  2.5792  -0.3428650     3.683647 
1 1 1 17  4   16 o 94.547  2.3746  1209.60   60.096    1260.05   84.990    1159.14   84.987    96.539  3.2868  92.554  3.4282  3.984741       4.749269 
1 1 1 17  4   17 o 22.248  1.9591  67.850    11.414    65.150    16.119    70.565    16.164    21.787  2.8289  22.709  2.7110  -0.9223156     3.918179 
1 1 1 17  4   18 o 21.993  2.0301  66.534    11.666    65.590    16.697    67.434    16.306    21.826  2.9302  22.160  2.8104  -0.3337479     4.060102 
1 1 1 17  4   19 o 82.009  2.1809  912.960   47.905    906.340   67.557    919.654   67.940    81.709  3.0868  82.309  3.0817  -0.5998230     4.361790 
1 1 1 17  4   20 o 19.648  2.1627  53.680    11.008    54.701    15.511    52.645    15.625    19.850  3.0119  19.445  3.1043  0.4050064      4.325305 
1 1 1 17  4   21 o 24.107  2.0606  80.118    13.034    79.773    18.491    80.459    18.376    24.050  2.9311  24.163  2.8971  -0.1126366     4.121237 
1 1 1 17  4   22 o 48.626  1.9415  323.254   25.118    345.211   35.255    300.621   35.795    50.350  2.6233  46.902  2.8630  3.448433       3.883094 
1 1 1 17  4   23 o 16.094  2.4564  37.790    10.336    27.203    15.018    47.316    14.246    13.809  3.8927  18.380  2.9971  -4.570248      4.912808 
1 1 1 17  4   24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  4   25 o 15.986  2.5631  37.065    10.736    40.566    15.125    33.510    15.241    16.791  3.4775  15.181  3.7662  1.610162       5.126150 
1 1 1 17  4   26 o 49.795  2.0315  343.667   26.978    337.490   37.982    349.958   38.326    49.334  2.8870  50.256  2.8590  -0.9221306     4.063092 
1 1 1 17  4   27 o 19.088  2.5878  53.773    12.682    67.488    18.011    40.286    17.861    21.751  3.1859  16.424  4.0788  5.327904       5.175569 
1 1 1 17  4   28 o 24.755  2.3170  89.083    14.528    66.838    20.430    111.837   20.663    21.313  3.7138  28.197  2.7717  -6.884535      4.634099 
1 1 1 17  4   29 o 38.030  2.0987  206.221   21.005    236.353   29.765    176.327   29.647    40.990  2.7266  35.069  3.1911  5.920895       4.197331 
1 1 1 17  4   30 o 38.245  2.1460  209.880   21.700    230.781   30.691    188.986   30.685    40.298  2.8620  36.191  3.1984  4.106468       4.291945 
1 1 1 17  4   31 o 8.7084  2.5586  3.2072    10.055    10.903    14.902    -3.2247   13.623    9.9275  3.8757  7.4894  3.3413  2.438050       5.117144 
1 1 1 17  4   32 o 11.149  4.1663  16.702    16.738    0.0000    0.0000    16.702    16.738    ?       ?       11.149  4.1663  ?              ?        
1 1 1 17  4   33 f 16.573  2.9638  44.283    13.395    55.960    19.363    33.566    18.550    18.822  3.9657  14.324  4.4057  4.498113       5.927692 
1 1 1 17  4   34 o 15.150  3.0712  38.870    13.123    40.549    18.390    37.128    18.731    15.524  4.2832  14.776  4.4027  0.7476110      6.142432 
1 1 1 17  5   0  o 202.543 3.9466  5528.08   214.104   5533.41   302.270   5522.71   303.309   202.644 5.5689  202.443 5.5936  0.2014160      7.893154 
1 1 1 17  5   1  o 88.940  2.1685  1061.45   51.638    1021.06   72.723    1102.53   73.335    87.231  3.1125  90.650  3.0203  -3.418518      4.337071 
1 1 1 17  5   2  o 51.655  1.8049  359.428   24.779    403.986   35.153    315.423   34.934    54.891  2.3910  48.419  2.7044  6.471565       3.609802 
1 1 1 17  5   3  o 172.487 3.4337  4004.90   158.622   4056.84   223.764   3952.43   224.891   173.619 4.8118  171.355 4.8999  2.264420       6.867452 
1 1 1 17  5   4  o 52.418  1.8247  368.955   25.571    359.046   35.991    379.056   36.338    51.673  2.6088  53.163  2.5519  -1.489548      3.649372 
1 1 1 17  5   5  o 60.996  1.9371  499.156   31.645    501.527   44.571    496.747   44.937    61.142  2.7216  60.849  2.7572  0.2934723      3.874120 
1 1 1 17  5   6  o 241.865 4.6660  7920.58   302.202   7703.37   426.875   8138.82   427.882   238.508 6.6820  245.223 6.5144  -6.715500      9.332033 
1 1 1 17  5   7  o 94.062  2.3436  1188.89   58.996    1129.18   83.226    1249.20   83.640    91.680  3.3892  96.443  3.2379  -4.762276      4.687233 
1 1 1 17  5   8  o 128.045 2.8204  2206.30   96.728    2228.59   136.861   2184.06   136.728   128.694 3.9704  127.396 4.0069  1.297714       5.640858 
1 1 1 17  5   9  o 75.195  2.0757  759.850   41.773    724.770   59.052    794.988   59.101    73.452  3.0015  76.938  2.8679  -3.486145      4.151382 
1 1 1 17  5   10 o 29.171  1.9228  115.400   14.772    129.708   21.128    101.716   20.661    30.975  2.5697  27.368  2.8609  3.607687       3.845542 
1 1 1 17  5   11 o 50.119  1.9211  338.534   25.682    350.912   36.444    326.325   36.196    51.036  2.6753  49.202  2.7577  1.834980       3.842182 
1 1 1 17  5   12 o 61.573  1.9843  509.826   32.725    510.668   46.432    508.996   46.131    61.623  2.8131  61.523  2.7994  0.9971619E-01  3.968650 
1 1 1 17  5   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  5   14 o 75.811  2.1015  774.705   42.667    790.918   60.412    758.568   60.268    76.607  2.9442  75.015  2.9995  1.591988       4.203036 
1 1 1 17  5   15 o 10.340  2.3351  13.978    7.3498    16.817    10.599    11.348    10.201    11.091  3.3135  9.5891  3.2910  1.502224       4.670101 
1 1 1 17  5   16 o 82.704  2.2413  925.596   49.645    940.934   70.188    910.240   70.228    83.397  3.1421  82.011  3.1970  1.386063       4.482621 
1 1 1 17  5   17 o 39.466  1.8496  211.296   19.424    200.820   27.409    221.865   27.531    38.467  2.6769  40.465  2.5532  -1.997795      3.699275 
1 1 1 17  5   18 o 62.966  1.9927  536.897   33.603    546.391   47.463    527.357   47.581    63.531  2.7892  62.401  2.8468  1.130280       3.985448 
1 1 1 17  5   19 o 50.921  1.9104  351.859   25.965    329.373   36.516    374.853   36.926    49.219  2.7813  52.624  2.6198  -3.404102      3.820826 
1 1 1 17  5   20 o 20.464  2.2464  59.176    11.658    73.424    16.484    44.918    16.490    23.114  2.7142  17.814  3.5801  5.300312       4.492701 
1 1 1 17  5   21 o 41.793  1.9178  238.289   21.350    239.978   30.043    236.566   30.346    41.950  2.6879  41.636  2.7363  0.3139839      3.835625 
1 1 1 17  5   22 f 31.318  1.9950  134.732   16.554    132.264   23.281    137.255   23.543    31.023  2.8330  31.614  2.8096  -0.5907955     3.989964 
1 1 1 17  5   23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  5   24 o 31.373  2.0295  136.190   16.846    128.247   23.603    144.436   24.050    30.411  2.9341  32.334  2.8047  -1.923372      4.058972 
1 1 1 17  5   25 o 16.615  2.6431  40.532    11.649    53.198    16.583    28.193    16.367    19.300  3.3281  13.930  4.1069  5.370417       5.286123 
1 1 1 17  5   26 o 20.344  2.4587  59.978    12.810    71.048    18.241    49.206    17.994    22.375  3.1292  18.312  3.7934  4.062592       4.917489 
1 1 1 17  5   27 o 10.020  2.5386  11.385    9.2682    2.1583    13.399    19.850    12.834    8.2925  3.5053  11.748  3.6731  -3.455070      5.077260 
1 1 1 17  5   28 o 20.682  2.5226  63.658    13.304    76.044    18.659    50.848    18.975    23.010  3.1070  18.354  3.9749  4.656000       5.045099 
1 1 1 17  5   29 o 8.9127  2.5724  5.9677    9.7192    4.8252    13.742    7.1112    13.748    8.7202  3.6078  9.1051  3.6677  -0.3848925     5.144739 
1 1 1 17  5   30 o 18.405  2.6733  52.199    13.285    22.771    18.258    85.305    19.365    12.512  4.3967  24.298  3.0422  -11.78609      5.346551 
1 1 1 17  5   31 o 4.4399  2.2347  -35.9425  12.109    0.0000    0.0000    -35.9425  12.109    ?       ?       4.4399  2.2347  ?              ?        
1 1 1 17  5   32 o 6.9317  2.2764  -10.2854  10.230    -15.1658  14.350    -5.2416   14.588    6.4142  3.0516  7.4493  3.3786  -1.035059      4.552773 
1 1 1 17  5   33 o 18.354  2.9198  54.741    14.004    55.503    20.049    54.016    19.569    18.462  4.1547  18.246  4.1036  0.2162781      5.839607 
1 1 1 17  6   0  o 43.817  1.7563  258.708   20.484    240.984   29.081    276.160   28.857    42.312  2.5783  45.321  2.3856  -3.008537      3.512601 
1 1 1 17  6   1  o 53.897  1.7921  389.553   25.870    383.366   36.485    395.810   36.688    53.467  2.5476  54.328  2.5212  -0.8616600     3.584262 
1 1 1 17  6   2  o 271.600 5.1478  9996.00   374.298   10352.80  529.014   9638.34   529.662   276.513 7.1427  266.688 7.4149  9.824921       10.29562 
1 1 1 17  6   3  o 139.061 2.9733  2602.70   110.608   2743.21   156.076   2460.94   156.774   142.851 4.0791  135.270 4.3270  7.580795       5.946560 
1 1 1 17  6   4  o 82.445  2.1640  912.596   47.774    928.909   67.193    895.919   67.939    83.193  3.0154  81.697  3.1047  1.495972       4.328089 
1 1 1 17  6   5  o 89.862  2.2596  1084.31   54.383    1086.10   76.536    1082.48   77.288    89.938  3.1771  89.785  3.2138  0.1524353      4.519133 
1 1 1 17  6   6  o 79.130  2.1457  840.696   45.473    821.391   64.047    860.320   64.572    78.213  3.0573  80.048  3.0117  -1.835060      4.291494 
1 1 1 17  6   7  o 143.079 3.0579  2757.59   117.188   2742.05   165.582   2773.18   165.875   142.673 4.3329  143.484 4.3161  -0.8109283     6.115790 
1 1 1 17  6   8  o 141.676 3.0229  2705.50   114.713   2708.76   162.192   2702.23   162.266   141.762 4.2715  141.589 4.2786  0.1725006      6.045873 
1 1 1 17  6   9  o 113.476 2.6013  1733.94   79.061    1757.48   111.939   1710.52   111.680   114.248 3.6580  112.704 3.6995  1.543655       5.202625 
1 1 1 17  6   10 o 52.781  1.9551  375.295   27.517    406.151   39.109    345.045   38.723    54.981  2.6557  50.582  2.8700  4.398659       3.910203 
1 1 1 17  6   11 o 119.661 5.2882  1946.19   169.492   1946.19   169.492   0.0000    0.0000    119.661 5.2882  ?       ?       ?              ?        
1 1 1 17  6   12 o 63.067  3.8212  539.429   64.245    0.0000    0.0000    539.429   64.245    ?       ?       63.067  3.8212  ?              ?        
1 1 1 17  6   13 o 69.681  2.0484  654.349   38.224    640.244   54.088    668.421   54.026    68.926  2.9298  70.436  2.8637  -1.510155      4.096842 
1 1 1 17  6   14 o 40.963  1.8461  227.030   20.140    220.545   28.564    233.441   28.401    40.371  2.6564  41.554  2.5643  -1.182644      3.692172 
1 1 1 17  6   15 o 86.960  2.2557  1023.32   52.535    1041.59   74.364    1005.13   74.229    87.742  3.1642  86.178  3.2158  1.563583       4.511499 
1 1 1 17  6   16 o 70.677  2.0813  675.897   39.399    669.202   55.709    682.597   55.728    70.324  2.9576  71.031  2.9291  -0.7073441     4.162580 
1 1 1 17  6   17 o 40.967  1.8873  228.020   20.561    243.960   29.201    212.346   28.956    42.412  2.5829  39.523  2.7525  2.888779       3.774564 
1 1 1 17  6   18 o 61.468  1.9992  512.275   32.908    523.825   46.462    500.650   46.615    62.173  2.7900  60.763  2.8642  1.410072       3.998484 
1 1 1 17  6   19 o 11.792  2.5140  18.935    8.6570    23.016    12.653    15.343    11.870    12.784  3.5623  10.799  3.5483  1.984874       5.027941 
1 1 1 17  6   20 o 37.054  1.9360  187.484   19.079    188.980   27.024    185.998   26.939    37.204  2.7310  36.904  2.7450  0.2997971      3.872076 
1 1 1 17  6   21 o 51.865  1.9996  367.835   27.645    385.570   39.069    350.050   39.124    53.148  2.7539  50.582  2.8998  2.566189       3.999109 
1 1 1 17  6   22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  6   23 o 33.373  2.0282  153.945   17.942    157.628   25.167    150.137   25.587    33.804  2.8049  32.942  2.9305  0.8621254      4.056495 
1 1 1 17  6   24 o 7.6318  2.2619  -2.4520   8.4819    -12.9164  11.731    9.0129    12.279    5.9324  2.8036  9.3312  3.5503  -3.398825      4.523834 
1 1 1 17  6   25 o 31.608  2.1150  140.407   17.538    159.552   24.831    121.348   24.775    33.884  2.7599  29.333  3.2056  4.551811       4.230007 
1 1 1 17  6   26 o 21.805  2.4044  68.742    13.422    82.396    19.276    55.890    18.701    24.097  3.0552  19.514  3.7136  4.583000       4.808870 
1 1 1 17  6   27 o 13.835  2.7905  28.231    11.174    19.305    15.478    37.947    16.148    11.775  4.0531  15.895  3.8367  -4.120220      5.581056 
1 1 1 17  6   28 o 14.972  2.8358  34.173    11.650    30.139    16.359    38.323    16.595    14.070  4.0939  15.874  3.9251  -1.803987      5.671584 
1 1 1 17  6   29 o 9.4327  2.6172  7.5516    10.053    15.729    14.446    -0.1289   14.000    10.834  3.8998  8.0311  3.4914  2.803150       5.234325 
1 1 1 17  6   30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  6   31 o 13.618  2.9003  27.633    12.467    12.375    17.247    44.330    18.042    10.463  4.1435  16.774  4.0595  -6.311185      5.800669 
1 1 1 17  6   32 o 8.3822  2.5736  0.8264    10.879    6.2193    15.461    -4.4621   15.310    9.0890  3.7990  7.6755  3.4731  1.413550       5.147288 
1 1 1 17  7   0  o 180.099 3.6655  4370.94   176.723   4526.31   249.517   4214.54   250.332   183.332 5.0813  176.866 5.2843  6.466385       7.330957 
1 1 1 17  7   1  o 70.239  1.9798  662.272   37.218    691.245   52.568    633.151   52.701    71.783  2.7341  68.695  2.8642  3.088219       3.959652 
1 1 1 17  7   2  o 255.154 4.8744  8821.25   332.862   9215.82   470.430   8425.64   471.048   260.937 6.7309  249.371 7.0523  11.56573       9.748802 
1 1 1 17  7   3  o 118.204 2.6029  1877.62   82.405    1885.96   116.080   1869.16   117.001   118.471 3.6581  117.937 3.7038  0.5336456      5.205782 
1 1 1 17  7   4  f 47.879  1.8318  308.520   23.365    286.201   32.790    331.542   33.303    46.107  2.6665  49.650  2.5124  -3.542461      3.663672 
1 1 1 17  7   5  o 135.204 2.9119  2460.29   105.449   2432.94   148.623   2488.02   149.636   134.446 4.1272  135.962 4.1089  -1.516327      5.823804 
1 1 1 17  7   6  o 63.089  1.9697  534.369   33.267    511.350   46.746    557.989   47.353    61.710  2.8281  64.468  2.7423  -2.757866      3.939310 
1 1 1 17  7   7  o 48.396  1.9146  315.548   24.716    320.188   34.865    310.861   35.044    48.758  2.6799  48.035  2.7351  0.7232628      3.829206 
1 1 1 17  7   8  o 77.801  2.1554  813.853   44.903    789.987   63.345    837.958   63.662    76.651  3.0854  78.951  3.0105  -2.300507      4.310716 
1 1 1 17  7   9  o 87.315  2.2905  1026.18   53.564    1009.23   75.678    1043.20   75.825    86.589  3.2630  88.041  3.2154  -1.451370      4.581061 
1 1 1 17  7   10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  7   11 o 54.225  1.9322  396.183   28.014    400.911   39.652    391.472   39.584    54.585  2.7121  53.866  2.7528  0.7195587      3.864343 
1 1 1 17  7   12 o 76.286  2.1642  784.861   44.221    782.904   62.634    786.806   62.441    76.190  3.0692  76.383  3.0520  -0.1926193     4.328356 
1 1 1 17  7   13 o 39.321  1.9020  209.286   19.909    212.732   28.434    205.971   27.884    39.639  2.6941  39.002  2.6856  0.6364555      3.803968 
1 1 1 17  7   14 o 90.872  2.3294  1118.23   56.697    1124.11   80.369    1112.41   79.995    91.110  3.2933  90.634  3.2952  0.4760818      4.658815 
1 1 1 17  7   15 o 53.215  1.9555  383.779   27.770    375.212   39.355    392.275   39.190    52.614  2.8027  53.817  2.7277  -1.203049      3.910947 
1 1 1 17  7   16 o 77.129  2.1704  806.824   44.835    798.860   63.433    814.774   63.379    76.743  3.0860  77.514  3.0526  -0.7711868     4.340703 
1 1 1 17  7   17 o 28.487  1.9351  110.892   14.582    109.452   20.680    112.315   20.564    28.296  2.7639  28.679  2.7091  -0.3825111     3.870178 
1 1 1 17  7   18 o 54.827  1.9895  408.529   29.140    427.046   41.334    390.234   41.086    56.116  2.7500  53.539  2.8756  2.577881       3.978923 
1 1 1 17  7   19 o 24.912  2.0744  85.495    13.479    98.101    19.463    73.877    18.684    26.739  2.7570  23.085  3.1001  3.654467       4.148742 
1 1 1 17  7   20 o 38.494  2.7990  209.693   24.683    212.834   28.802    201.004   47.899    39.458  2.7423  37.531  4.8803  1.926609       5.597989 
1 1 1 17  7   21 o 80.539  3.1952  890.713   68.928    0.0000    0.0000    890.713   68.928    ?       ?       80.539  3.1952  ?              ?        
1 1 1 17  7   22 o 48.364  2.0056  321.597   25.865    322.925   36.408    320.244   36.753    48.473  2.8163  48.254  2.8563  0.2198486      4.011278 
1 1 1 17  7   23 f 26.103  2.1755  95.514    14.868    87.964    21.058    103.018   20.994    25.009  3.2184  27.198  2.9280  -2.189631      4.350999 
1 1 1 17  7   24 o 38.891  2.0642  211.036   21.266    228.591   29.916    193.105   30.236    40.613  2.7666  37.170  3.0643  3.442764       4.128435 
1 1 1 17  7   25 o 8.3793  2.3619  0.3031    9.0303    -12.7569  12.494    14.588    13.067    6.1794  2.9121  10.579  3.7194  -4.399913      4.723783 
1 1 1 17  7   26 o 21.707  2.4690  68.497    13.856    64.759    19.225    72.538    19.989    21.060  3.5333  22.354  3.4495  -1.294640      4.937899 
1 1 1 17  7   27 o 12.661  2.8840  23.542    11.098    22.608    15.175    24.615    16.273    12.422  4.0074  12.900  4.1487  -0.4778557     5.768099 
1 1 1 17  7   28 o 24.218  2.5540  87.637    15.456    116.127   22.186    60.775    21.543    28.523  2.9464  19.913  4.1726  8.609913       5.108001 
1 1 1 17  7   29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  7   30 o 6.6441  2.1938  -11.5584  9.7980    -5.6528   13.260    -18.6610  14.542    7.0688  3.2119  6.2193  2.9891  0.8494945      4.387614 
1 1 1 17  7   31 f 15.927  3.0296  40.961    13.404    51.117    19.504    31.871    18.453    17.851  4.1567  14.002  4.4087  3.849267       6.059298 
1 1 1 17  8   0  o 39.736  1.7738  212.619   18.782    210.219   26.527    215.032   26.597    39.510  2.5198  39.963  2.4972  -0.4533768     3.547627 
1 1 1 17  8   1  o 98.276  2.3270  1299.26   61.111    1396.43   86.221    1201.18   86.628    101.985 3.1564  94.567  3.4200  7.418404       4.653947 
1 1 1 17  8   2  o 102.948 2.3982  1425.85   65.997    1525.90   93.162    1325.06   93.506    106.590 3.2631  99.305  3.5154  7.284798       4.796467 
1 1 1 17  8   3  o 105.443 2.4399  1493.98   68.901    1461.62   96.970    1526.98   97.917    104.287 3.4715  106.598 3.4294  -2.310379      4.879797 
1 1 1 17  8   4  o 99.994  2.4020  1343.90   64.331    1329.26   90.547    1358.81   91.415    99.444  3.3995  100.544 3.3945  -1.099854      4.804039 
1 1 1 17  8   5  o 135.986 2.9195  2491.40   106.337   2474.57   149.889   2508.45   150.881   135.523 4.1292  136.448 4.1284  -0.9246674     5.838996 
1 1 1 17  8   6  o 127.140 2.8223  2178.43   96.111    2173.45   135.584   2183.46   136.262   126.995 3.9860  127.285 3.9968  -0.2898636     5.644635 
1 1 1 17  8   7  o 31.050  1.9509  130.832   15.916    110.952   22.214    151.801   22.815    28.579  2.9442  33.522  2.5603  -4.943022      3.901736 
1 1 1 17  8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  8   9  o 31.776  1.9135  136.951   16.094    127.132   22.767    146.761   22.755    30.614  2.8078  32.938  2.6004  -2.323948      3.826968 
1 1 1 17  8   10 o 53.512  1.9426  386.011   27.786    375.719   39.262    396.338   39.328    52.757  2.7884  54.268  2.7056  -1.510899      3.885287 
1 1 1 17  8   11 o 51.664  1.9457  360.678   26.812    375.111   37.973    346.327   37.864    52.706  2.6989  50.622  2.8035  2.084686       3.891434 
1 1 1 17  8   12 o 80.066  2.2315  866.643   47.827    831.846   67.651    901.413   67.624    78.444  3.2198  81.688  3.0906  -3.244194      4.463081 
1 1 1 17  8   13 o 38.510  1.9025  201.518   19.448    187.374   27.713    215.244   27.300    37.149  2.8058  39.871  2.5700  -2.722542      3.804980 
1 1 1 17  8   14 o 56.431  1.9699  430.453   29.773    427.246   42.250    433.616   41.963    56.218  2.8058  56.643  2.7659  -0.4249992     3.939898 
1 1 1 17  8   15 o 69.528  2.1054  655.274   39.198    640.583   55.580    669.812   55.290    68.741  3.0187  70.315  2.9357  -1.573830      4.210753 
1 1 1 17  8   16 o 24.425  2.0532  81.984    13.167    83.973    18.685    80.023    18.556    24.729  2.8746  24.120  2.9325  0.6084633      4.106497 
1 1 1 17  8   17 o 26.028  2.0804  93.410    14.077    109.896   20.172    77.762    19.654    28.355  2.6882  23.700  3.1758  4.654430       4.160816 
1 1 1 17  8   18 o 20.516  2.2580  58.854    11.968    63.424    16.825    54.173    17.029    21.382  3.0220  19.650  3.3559  1.731602       4.515995 
1 1 1 17  8   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  8   20 o 78.709  2.2494  850.512   47.391    885.601   67.042    815.468   66.999    80.372  3.1143  77.047  3.2466  3.325409       4.498760 
1 1 1 17  8   21 o 30.364  2.0847  127.699   16.685    115.824   23.402    139.975   23.795    28.873  3.0732  31.855  2.8178  -2.982141      4.169483 
1 1 1 17  8   22 o 27.134  2.1688  102.846   15.482    100.621   21.876    105.079   21.914    26.824  3.1021  27.444  3.0318  -0.6198959     4.337618 
1 1 1 17  8   23 o 64.983  2.1469  585.954   37.356    598.138   52.629    573.583   53.033    65.697  2.9908  64.269  3.0807  1.428535       4.293705 
1 1 1 17  8   24 o 43.186  2.0551  260.659   23.572    239.528   33.216    282.098   33.456    41.344  3.0203  45.028  2.7877  -3.683987      4.110168 
1 1 1 17  8   25 o 32.977  2.1800  154.120   18.876    177.273   27.077    132.232   26.327    35.523  2.8702  30.430  3.2821  5.093557       4.360084 
1 1 1 17  8   26 o 19.970  2.6544  60.923    13.599    94.995    19.688    29.836    18.806    25.876  2.8900  14.065  4.4531  11.81124       5.308743 
1 1 1 17  8   27 o 19.649  2.6852  57.673    13.604    50.147    18.783    65.977    19.729    18.181  3.9685  21.116  3.6184  -2.934851      5.370433 
1 1 1 17  8   28 f 13.966  4.2839  29.987    17.552    0.0000    0.0000    29.987    17.552    ?       ?       13.966  4.2839  ?              ?        
1 1 1 17  8   29 o 10.679  2.8560  13.134    11.592    21.640    16.623    5.0816    16.173    12.134  4.1990  9.2234  3.8723  2.910670       5.711959 
1 1 1 17  8   30 f 12.586  2.8602  22.000    12.218    39.981    17.762    5.8510    16.833    15.805  4.1446  9.3678  3.9426  6.437025       5.720339 
1 1 1 17  9   0  o 205.834 4.1409  5728.64   228.238   5864.33   322.256   5592.07   323.301   208.306 5.7758  203.361 5.9354  4.944656       8.281811 
1 1 1 17  9   1  o 84.514  2.1493  959.792   48.614    1002.22   68.633    917.071   68.867    86.395  2.9659  82.633  3.1115  3.762413       4.298595 
1 1 1 17  9   2  o 57.756  1.8943  448.264   29.261    475.325   41.319    421.038   41.445    59.511  2.5922  56.002  2.7630  3.509590       3.788611 
1 1 1 17  9   3  o 84.909  2.1692  968.584   49.328    950.183   69.370    987.406   70.158    84.092  3.0798  85.725  3.0555  -1.633583      4.338346 
1 1 1 17  9   4  o 46.981  1.8641  297.301   23.361    290.701   32.891    304.019   33.186    46.452  2.6545  47.511  2.6179  -1.059143      3.728244 
1 1 1 17  9   5  o 35.015  2.4270  161.441   20.765    153.625   24.745    180.046   38.178    33.702  2.7657  36.329  3.9892  -2.627254      4.854097 
1 1 1 17  9   6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  9   7  o 100.169 2.4301  1352.38   65.196    1358.16   91.941    1346.53   92.463    100.387 3.4193  99.950  3.4538  0.4370041      4.860101 
1 1 1 17  9   8  o 24.376  1.9781  80.961    12.668    76.479    17.724    85.640    18.111    23.669  2.8533  25.082  2.7403  -1.413485      3.956125 
1 1 1 17  9   9  o 60.707  2.0086  496.358   32.659    493.413   46.023    499.345   46.352    60.525  2.8389  60.888  2.8422  -0.3623085     4.017102 
1 1 1 17  9   10 o 64.373  2.0282  558.882   34.945    532.995   49.298    585.025   49.541    62.865  2.9277  65.881  2.8075  -3.015430      4.056313 
1 1 1 17  9   11 o 103.617 2.5223  1455.13   70.000    1472.47   99.106    1437.87   98.884    104.238 3.5496  102.995 3.5845  1.243874       5.044613 
1 1 1 17  9   12 o 25.628  2.0512  90.537    13.681    78.087    19.558    102.469   19.146    23.821  3.1419  27.435  2.6379  -3.613367      4.102491 
1 1 1 17  9   13 o 50.314  1.9525  343.173   26.211    339.319   37.045    347.036   37.091    50.027  2.7755  50.601  2.7470  -0.5735855     3.905031 
1 1 1 17  9   14 o 25.530  2.0414  89.286    13.706    93.391    19.654    85.399    19.124    26.114  2.8564  24.945  2.9172  1.168257       4.082837 
1 1 1 17  9   15 o 55.339  2.0534  416.301   30.325    426.828   43.115    405.994   42.661    56.039  2.8822  54.639  2.9256  1.400379       4.106881 
1 1 1 17  9   16 o 46.527  1.9598  294.508   24.304    305.290   34.638    284.052   34.110    47.377  2.7413  45.678  2.8015  1.698936       3.919580 
1 1 1 17  9   17 o 35.525  1.9866  172.491   18.742    172.810   26.879    172.188   26.147    35.547  2.8469  35.502  2.7717  0.4505920E-01  3.973277 
1 1 1 17  9   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  9   19 o 25.696  2.1588  91.996    14.465    101.907   20.330    81.834    20.587    27.182  2.8339  24.209  3.2575  2.973064       4.317654 
1 1 1 17  9   20 o 41.195  2.0356  233.725   22.307    225.567   31.587    241.843   31.508    40.453  2.9352  41.938  2.8214  -1.485447      4.071269 
1 1 1 17  9   21 o 18.367  2.5837  48.913    12.250    58.773    17.389    39.200    17.259    20.355  3.3025  16.379  3.9745  3.976294       5.167471 
1 1 1 17  9   22 o 41.088  2.0649  235.118   22.482    212.866   31.877    257.141   31.712    39.062  3.0715  43.114  2.7606  -4.052139      4.129761 
1 1 1 17  9   23 o 56.754  2.1267  449.862   32.212    449.497   45.320    450.235   45.794    56.742  2.9925  56.765  3.0227  -0.2329254E-01 4.253454 
1 1 1 17  9   24 o 13.461  2.8201  26.526    10.960    31.784    16.025    21.906    15.022    14.575  3.9889  12.347  3.9876  2.227539       5.640254 
1 1 1 17  9   25 o 21.947  2.4732  70.319    14.026    75.252    19.874    65.425    19.796    22.797  3.3551  21.096  3.6346  1.701338       4.946441 
1 1 1 17  9   26 o 20.948  2.6120  65.045    14.115    62.505    19.904    67.614    20.020    20.490  3.7654  21.406  3.6210  -0.9160442     5.223969 
1 1 1 17  9   27 f 6.7946  3.1024  -6.6466   12.564    0.0000    0.0000    -6.6466   12.564    ?       ?       6.7946  3.1024  ?              ?        
1 1 1 17  9   28 o 16.376  3.0689  42.377    13.685    43.875    19.259    40.850    19.448    16.694  4.2854  16.058  4.3940  0.6360779      6.137796 
1 1 1 17  9   29 o 12.057  2.9724  21.641    11.878    25.211    16.693    17.979    16.906    12.755  4.2086  11.359  4.1985  1.395689       5.944731 
1 1 1 17  10  0  o 252.737 4.9328  8693.06   333.928   8682.03   471.501   8704.15   472.994   252.580 6.9694  252.894 6.9828  -0.3139343     9.865669 
1 1 1 17  10  1  o 155.915 3.2264  3284.03   134.509   3494.07   189.878   3072.45   190.574   160.965 4.4041  150.865 4.7161  10.10034       6.452723 
1 1 1 17  10  2  o 136.231 3.6031  2479.72   123.107   2424.35   149.062   2598.49   218.332   134.098 4.1501  138.365 5.8912  -4.267136      7.206184 
1 1 1 17  10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  10  4  o 95.330  3.2987  1223.30   84.229    0.0000    0.0000    1223.30   84.229    ?       ?       95.330  3.2987  ?              ?        
1 1 1 17  10  5  o 109.348 2.5502  1612.28   74.690    1615.52   105.174   1608.98   106.086   109.463 3.5872  109.233 3.6259  0.2297592      5.100479 
1 1 1 17  10  6  o 100.457 2.4096  1361.09   64.770    1283.99   91.150    1439.73   92.053    97.566  3.4879  103.347 3.3255  -5.781189      4.819160 
1 1 1 17  10  7  o 55.622  1.9671  416.996   29.255    410.046   41.251    424.030   41.496    55.118  2.8034  56.126  2.7603  -1.007729      3.934250 
1 1 1 17  10  8  o 55.728  1.9668  418.975   29.287    400.902   41.251    437.345   41.588    54.473  2.8370  56.984  2.7248  -2.511208      3.933597 
1 1 1 17  10  9  o 85.365  2.2700  984.688   51.901    969.075   73.209    1000.46   73.590    84.681  3.2277  86.050  3.1929  -1.368790      4.540074 
1 1 1 17  10  10 o 70.734  2.1145  676.061   40.055    660.546   56.600    691.628   56.692    69.914  3.0224  71.554  2.9580  -1.639526      4.229071 
1 1 1 17  10  11 o 20.148  2.2382  56.882    11.528    46.901    16.496    66.410    16.117    18.295  3.4938  22.000  2.7984  -3.705034      4.476353 
1 1 1 17  10  12 o 46.460  1.9678  292.842   24.369    301.643   34.653    284.233   34.276    47.159  2.7554  45.761  2.8100  1.397385       3.935515 
1 1 1 17  10  13 o 30.627  1.9877  127.859   16.114    133.755   23.226    122.387   22.375    31.316  2.7985  29.939  2.8235  1.376106       3.975462 
1 1 1 17  10  14 o 23.784  2.1337  78.361    13.197    70.675    18.944    85.607    18.394    22.581  3.2235  24.987  2.7963  -2.405970      4.267377 
1 1 1 17  10  15 o 14.963  2.5341  32.028    10.095    26.074    14.503    37.624    14.060    13.598  3.8227  16.328  3.3277  -2.730062      5.068255 
1 1 1 17  10  16 o 70.541  3.1046  678.377   58.660    678.377   58.660    0.0000    0.0000    70.541  3.1046  ?       ?       ?              ?        
1 1 1 17  10  17 o 49.276  2.8451  331.804   37.391    0.0000    0.0000    331.804   37.391    ?       ?       49.276  2.8451  ?              ?        
1 1 1 17  10  18 o 29.210  2.1260  117.994   16.384    113.939   23.251    121.993   23.092    28.686  3.0739  29.734  2.9379  -1.047539      4.252056 
1 1 1 17  10  19 o 25.640  2.1938  91.697    14.648    104.742   21.017    79.376    20.425    27.501  2.8968  23.779  3.2955  3.721962       4.387673 
1 1 1 17  10  20 o 31.998  2.1437  142.409   18.148    139.760   25.765    145.016   25.567    31.683  3.0748  32.312  2.9879  -0.6289845     4.287430 
1 1 1 17  10  21 f 63.564  2.1755  560.561   37.033    573.165   52.501    548.079   52.245    64.295  3.0486  62.833  3.1044  1.462288       4.350986 
1 1 1 17  10  22 o 42.907  2.1249  258.135   24.138    286.616   34.166    229.753   34.106    45.392  2.8241  40.422  3.1756  4.969711       4.249769 
1 1 1 17  10  23 o 10.642  2.6971  13.880    10.118    6.8668    14.656    20.264    13.984    9.3607  3.7812  11.923  3.8470  -2.562533      5.394171 
1 1 1 17  10  24 o 26.067  2.3580  97.753    16.074    96.857    22.269    98.727    23.226    25.973  3.2737  26.161  3.3945  -0.1886330     4.715949 
1 1 1 17  10  25 o 17.103  4.1787  44.714    18.980    44.714    18.980    0.0000    0.0000    17.103  4.1787  ?       ?       ?              ?        
1 1 1 17  10  26 o 18.292  2.9012  50.749    13.880    59.969    20.491    42.931    18.868    19.907  3.9819  16.677  4.2204  3.230038       5.802334 
1 1 1 17  10  27 o 24.868  2.6077  92.292    16.821    87.420    23.764    97.184    23.813    24.121  3.8042  25.614  3.5678  -1.492388      5.215466 
1 1 1 17  10  28 o 11.010  2.8783  16.184    11.349    20.606    16.217    11.940    15.887    11.830  4.1444  10.191  3.9953  1.639072       5.756587 
1 1 1 17  11  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  11  1  f 64.540  2.4194  551.253   39.027    591.372   69.637    532.882   47.122    66.109  3.9508  62.972  2.7938  3.137825       4.838772 
1 1 1 17  11  2  o 94.976  2.3178  1214.20   58.961    1204.25   83.031    1224.31   83.740    94.584  3.2774  95.368  3.2783  -0.7841873     4.635568 
1 1 1 17  11  3  o 58.757  1.9301  464.290   30.368    474.708   42.823    453.750   43.072    59.423  2.6905  58.090  2.7682  1.332973       3.860265 
1 1 1 17  11  4  o 94.902  2.3535  1214.62   59.788    1254.86   84.237    1173.76   84.874    96.500  3.2590  93.304  3.3961  3.195450       4.706903 
1 1 1 17  11  5  o 60.634  1.9838  494.789   32.204    474.892   45.188    515.323   45.906    59.392  2.8406  61.876  2.7699  -2.484535      3.967513 
1 1 1 17  11  6  o 66.141  2.0647  589.697   36.568    600.677   51.505    578.536   51.928    66.768  2.8800  65.515  2.9592  1.253181       4.129329 
1 1 1 17  11  7  o 106.516 2.5353  1535.64   72.314    1490.66   101.847   1581.38   102.694   104.930 3.6238  108.101 3.5467  -3.170662      5.070570 
1 1 1 17  11  8  o 66.004  2.0693  588.090   36.581    578.632   51.538    597.692   51.931    65.467  2.9391  66.541  2.9137  -1.074142      4.138605 
1 1 1 17  11  9  o 43.387  1.9309  255.028   22.323    253.824   31.292    256.277   31.853    43.285  2.7127  43.488  2.7487  -0.2029877     3.861892 
1 1 1 17  11  10 o 17.160  2.3643  41.474    10.455    37.816    15.116    44.828    14.475    16.378  3.5484  17.943  3.1256  -1.565283      4.728631 
1 1 1 17  11  11 o 65.918  2.1039  588.561   37.140    575.212   52.526    601.907   52.520    65.162  3.0095  66.674  2.9409  -1.512009      4.207833 
1 1 1 17  11  12 o 28.700  2.0458  112.607   15.487    120.948   22.200    104.700   21.614    29.760  2.8187  27.640  2.9659  2.119793       4.091664 
1 1 1 17  11  13 o 62.754  2.1049  534.512   35.380    535.543   50.097    533.486   49.972    62.814  2.9776  62.694  2.9758  0.1202621      4.209706 
1 1 1 17  11  14 o 39.162  2.0133  209.169   20.969    214.081   30.029    204.495   29.295    39.613  2.8492  38.712  2.8452  0.9004288      4.026535 
1 1 1 17  11  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  11  16 o 51.700  2.0581  365.773   28.370    357.309   40.431    373.981   39.818    51.087  2.9675  52.312  2.8526  -1.224792      4.116193 
1 1 1 17  11  17 o 34.977  2.0629  168.383   19.140    174.958   27.193    161.927   26.946    35.673  2.8702  34.281  2.9638  1.392197       4.125766 
1 1 1 17  11  18 o 18.464  2.6332  51.399    12.588    29.498    18.338    70.918    17.312    14.367  4.3734  22.561  2.9342  -8.194076      5.266497 
1 1 1 17  11  19 o 34.162  2.1175  162.083   19.170    157.409   27.201    166.695   27.022    33.646  3.0514  34.677  2.9368  -1.031555      4.235098 
1 1 1 17  11  20 o 58.023  2.1849  468.472   33.830    475.260   47.828    461.675   47.859    58.462  3.0650  57.584  3.1145  0.8781395      4.369719 
1 1 1 17  11  21 o 25.486  2.4285  93.742    15.744    116.008   22.411    72.044    22.123    28.753  2.9517  22.219  3.8573  6.534712       4.857095 
1 1 1 17  11  22 o 15.763  2.8205  37.054    12.156    27.031    16.942    47.687    17.450    13.554  4.2174  17.973  3.7463  -4.419105      5.641041 
1 1 1 17  11  23 o 20.257  2.6761  60.662    13.910    75.856    20.188    46.925    19.194    22.901  3.3938  17.614  4.1387  5.287516       5.352274 
1 1 1 17  11  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  11  25 o 31.956  2.3178  147.031   19.550    149.369   28.129    144.846   27.189    32.181  3.3106  31.730  3.2448  0.4509907      4.635590 
1 1 1 17  11  26 o 25.908  2.5396  99.244    17.135    102.169   24.845    96.591    23.664    26.250  3.6308  25.566  3.5517  0.6843739      5.079123 
1 1 1 17  11  27 o 6.1678  2.0666  -14.0219  9.2389    -8.6477   12.667    -20.1307  13.505    6.5460  3.0342  5.7895  2.8065  0.7564487      4.133127 
1 1 1 17  12  0  o 129.148 2.7987  2253.16   96.721    2353.98   136.358   2151.07   137.214   132.084 3.8543  126.212 4.0589  5.872185       5.597317 
1 1 1 17  12  1  o 100.213 2.3758  1353.55   63.757    1377.16   89.798    1329.54   90.538    101.102 3.3160  99.323  3.4032  1.779167       4.751638 
1 1 1 17  12  2  o 100.092 2.4050  1351.32   64.460    1377.24   90.838    1325.03   91.487    101.068 3.3555  99.116  3.4461  1.952522       4.809913 
1 1 1 17  12  3  o 76.446  2.1163  787.171   43.327    769.220   60.914    805.553   61.640    75.561  3.0097  77.330  2.9760  -1.769043      4.232577 
1 1 1 17  12  4  o 28.888  1.9396  113.376   14.826    115.286   21.002    111.478   20.934    29.136  2.7227  28.640  2.7631  0.4951973      3.879176 
1 1 1 17  12  5  o 74.704  2.1381  753.106   42.774    763.531   60.221    742.491   60.766    75.233  2.9885  74.176  3.0585  1.056503       4.276157 
1 1 1 17  12  6  o 111.022 2.6648  1672.88   79.195    1732.40   111.690   1612.69   112.310   113.039 3.6889  109.005 3.8467  4.033691       5.329615 
1 1 1 17  12  7  o 49.995  1.9670  338.392   26.235    342.075   37.040    334.684   37.163    50.273  2.7613  49.717  2.8021  0.5555267      3.934070 
1 1 1 17  12  8  f 61.096  2.0349  504.457   33.289    487.365   46.843    521.896   47.316    60.044  2.9126  62.148  2.8424  -2.104488      4.069766 
1 1 1 17  12  9  o 21.705  2.2001  65.072    12.424    64.522    17.466    65.636    17.675    21.611  3.1067  21.798  3.1160  -0.1873894     4.400100 
1 1 1 17  12  10 o 73.652  2.1817  735.584   43.036    747.369   60.852    723.791   60.872    74.249  3.0598  73.054  3.1109  1.195480       4.363491 
1 1 1 17  12  11 o 49.857  2.0441  338.070   27.159    353.779   38.479    322.476   38.337    51.032  2.8261  48.683  2.9540  2.349258       4.088201 
1 1 1 17  12  12 o 39.256  1.9993  210.019   20.875    204.228   29.462    215.858   29.583    38.701  2.8624  39.811  2.7920  -1.109356      3.998588 
1 1 1 17  12  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  12  14 o 21.050  2.3662  61.913    12.883    65.187    18.702    58.957    17.771    21.591  3.3418  20.509  3.3508  1.082098       4.732441 
1 1 1 17  12  15 o 43.987  2.0387  265.185   23.844    246.844   33.620    283.747   33.822    42.417  2.9780  45.557  2.7851  -3.139835      4.077400 
1 1 1 17  12  16 o 11.658  2.7627  17.980    10.153    18.536    14.743    17.479    14.002    11.817  3.9572  11.499  3.8563  0.3177633      5.525476 
1 1 1 17  12  17 o 30.441  2.2071  128.859   17.681    141.396   25.270    116.835   24.747    31.951  2.9874  28.930  3.2499  3.021624       4.414290 
1 1 1 17  12  18 o 47.217  2.0849  308.348   26.235    309.783   37.237    306.935   36.968    47.325  2.9524  47.110  2.9445  0.2149010      4.169730 
1 1 1 17  12  19 o 48.703  2.1459  330.553   27.736    365.991   39.448    295.903   39.006    51.389  2.8775  46.017  3.1843  5.372639       4.291762 
1 1 1 17  12  20 o 35.503  2.1728  176.905   20.455    179.107   29.267    174.802   28.600    35.711  3.0902  35.295  3.0554  0.4163666      4.345635 
1 1 1 17  12  21 o 23.449  2.5222  80.401    15.098    65.551    21.508    94.826    21.199    21.058  3.9587  25.840  3.1264  -4.782927      5.044369 
1 1 1 17  12  22 o 18.523  2.8095  51.437    13.528    46.995    19.260    55.762    19.004    17.636  4.1468  19.409  3.7915  -1.772823      5.618915 
1 1 1 17  12  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  12  24 o 32.044  2.3604  148.679   19.809    165.808   27.927    131.335   28.102    34.084  3.0928  30.005  3.5665  4.078875       4.720725 
1 1 1 17  12  25 o 19.531  2.9762  60.219    15.201    44.618    22.010    74.448    21.020    16.700  4.7143  22.362  3.6342  -5.661406      5.952416 
1 1 1 17  12  26 o 7.8573  2.4789  -4.0815   10.798    -10.4905  15.366    2.1695    15.176    7.1515  3.3241  8.5631  3.6784  -1.411634      4.957879 
1 1 1 17  13  0  o 71.054  2.0481  679.774   38.956    649.068   54.806    711.131   55.384    69.426  2.9472  72.683  2.8449  -3.257088      4.096295 
1 1 1 17  13  1  o 115.130 2.6244  1793.56   80.848    1875.51   113.947   1710.48   114.729   117.809 3.6110  112.450 3.8091  5.359055       5.248707 
1 1 1 17  13  2  o 50.329  1.8957  342.058   25.460    337.858   36.112    346.208   35.901    50.017  2.7056  50.641  2.6561  -0.6236305     3.791433 
1 1 1 17  13  3  o 46.888  1.8999  297.492   23.721    316.290   33.504    278.600   33.589    48.395  2.5941  45.382  2.7766  3.012413       3.799873 
1 1 1 17  13  4  o 39.661  1.9052  213.027   20.116    214.456   28.272    211.563   28.628    39.801  2.6674  39.521  2.7210  0.2791557      3.810360 
1 1 1 17  13  5  o 64.330  2.0456  558.901   35.242    566.893   49.702    550.819   49.980    64.798  2.8637  63.862  2.9219  0.9358101      4.091190 
1 1 1 17  13  6  o 74.419  2.1511  749.004   42.873    734.929   60.255    763.438   61.017    73.708  3.0520  75.129  3.0322  -1.420868      4.302176 
1 1 1 17  13  7  o 39.375  1.9595  210.727   20.495    195.932   28.939    225.615   29.029    37.962  2.8672  40.789  2.6718  -2.827030      3.919095 
1 1 1 17  13  8  o 20.804  2.2673  60.147    12.198    64.395    17.158    55.806    17.345    21.596  3.0512  20.012  3.3546  1.584110       4.534665 
1 1 1 17  13  9  o 66.834  2.1181  605.477   37.914    594.479   53.417    616.643   53.824    66.218  3.0117  67.450  2.9792  -1.231941      4.236274 
1 1 1 17  13  10 o 46.469  2.0128  293.749   24.929    289.551   35.326    297.915   35.185    46.131  2.8733  46.808  2.8196  -0.6772652     4.025630 
1 1 1 17  13  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  13  12 o 35.084  2.9042  169.595   23.425    176.794   45.962    167.069   27.227    35.237  5.0109  34.930  2.9374  0.3077927      5.808431 
1 1 1 17  13  13 o 39.145  2.0415  210.094   21.206    224.663   29.917    195.382   30.063    40.551  2.7710  37.738  2.9989  2.812870       4.083084 
1 1 1 17  13  14 o 69.890  2.2440  669.399   42.006    674.743   59.638    664.138   59.177    70.167  3.1732  69.613  3.1737  0.5538483      4.487951 
1 1 1 17  13  15 o 22.200  2.4775  69.881    14.087    83.323    20.166    57.070    19.687    24.439  3.1543  19.961  3.8213  4.477779       4.954974 
1 1 1 17  13  16 o 23.844  2.3743  80.287    14.665    88.779    20.752    71.815    20.727    25.199  3.1430  22.489  3.5595  2.709520       4.748521 
1 1 1 17  13  17 o 41.606  2.1090  240.103   23.323    227.672   32.892    252.673   33.076    40.482  3.0560  42.729  2.9073  -2.246960      4.217987 
1 1 1 17  13  18 o 35.597  2.1751  177.166   20.503    189.377   29.245    165.363   28.753    36.853  2.9884  34.342  3.1613  2.511456       4.350234 
1 1 1 17  13  19 o 15.758  2.8916  37.142    12.337    33.810    17.985    40.104    16.956    15.060  4.2651  16.455  3.9056  -1.394617      5.783137 
1 1 1 17  13  20 o 42.084  2.1627  249.027   24.210    253.486   34.364    244.633   34.113    42.471  3.0409  41.697  3.0762  0.7742729      4.325469 
1 1 1 17  13  21 o 35.824  3.1540  181.913   29.955    181.913   29.955    0.0000    0.0000    35.824  3.1540  ?       ?       ?              ?        
1 1 1 17  13  22 o 28.190  3.4836  108.499   21.445    152.107   47.166    97.135    24.078    30.535  5.9809  25.846  3.5735  4.688116       6.967155 
1 1 1 17  13  23 o 10.374  2.8246  9.6851    11.661    -0.3441   16.031    20.955    16.994    8.5593  3.7285  12.190  4.2441  -3.630292      5.649196 
1 1 1 17  13  24 o 32.425  2.3911  153.135   20.449    160.008   29.220    146.538   28.627    33.180  3.3329  31.670  3.4295  1.510197       4.782204 
1 1 1 17  13  25 o 17.190  3.0797  47.526    14.251    42.528    20.703    52.027    19.645    16.184  4.5734  18.197  4.1258  -2.013165      6.159410 
1 1 1 17  14  0  o 56.880  1.9278  435.888   29.370    440.048   41.487    431.709   41.583    57.154  2.7100  56.606  2.7426  0.5481262      3.855664 
1 1 1 17  14  1  o 37.174  1.8604  187.165   18.396    183.401   26.217    190.815   25.818    36.797  2.6784  37.551  2.5826  -0.7546768     3.720754 
1 1 1 17  14  2  f 47.963  1.8972  311.165   24.268    303.365   34.371    318.920   34.270    47.355  2.7213  48.571  2.6442  -1.216053      3.794349 
1 1 1 17  14  3  o 24.754  2.0136  83.740    13.098    87.882    18.765    79.805    18.290    25.365  2.8093  24.143  2.8856  1.221760       4.027223 
1 1 1 17  14  4  o 46.181  1.9170  288.835   23.588    273.753   33.129    304.344   33.594    44.944  2.7654  47.418  2.6557  -2.474449      3.834076 
1 1 1 17  14  5  o 33.684  1.9454  154.251   17.396    157.959   24.759    150.637   24.447    34.089  2.7347  33.279  2.7678  0.8104172      3.890866 
1 1 1 17  14  6  o 41.469  1.9427  233.609   21.439    241.880   30.149    225.147   30.494    42.229  2.6793  40.709  2.8138  1.519596       3.885421 
1 1 1 17  14  7  o 18.966  2.4561  51.012    11.897    64.924    16.926    37.430    16.724    21.693  2.9927  16.238  3.8952  5.454626       4.912160 
1 1 1 17  14  8  o 13.492  2.6784  25.365    10.143    20.991    14.026    30.161    14.687    12.396  3.8340  14.588  3.7411  -2.191586      5.356771 
1 1 1 17  14  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  14  10 o 38.919  2.8648  215.578   25.855    199.323   48.748    221.941   30.498    37.504  4.9755  40.334  2.8411  -2.829445      5.729537 
1 1 1 17  14  11 o 25.576  2.2272  90.825    14.862    98.585    20.853    82.814    21.188    26.753  2.9597  24.399  3.3290  2.354120       4.454438 
1 1 1 17  14  12 o 22.940  2.3517  74.439    13.686    56.473    19.265    92.740    19.444    19.936  3.7453  25.943  2.8449  -6.006443      4.703320 
1 1 1 17  14  13 o 56.148  2.1235  432.609   31.815    441.962   45.126    423.365   44.861    56.764  2.9784  55.532  3.0274  1.232082       4.246935 
1 1 1 17  14  14 o 16.341  2.7631  38.741    11.988    44.515    16.951    32.963    16.957    17.595  3.7135  15.088  4.0924  2.506623       5.526099 
1 1 1 17  14  15 o 18.782  2.7314  51.972    13.299    37.502    19.031    65.783    18.592    15.995  4.3342  21.568  3.3252  -5.573726      5.462780 
1 1 1 17  14  16 o 14.500  2.8637  30.687    11.572    28.100    16.267    33.337    16.466    13.919  4.0918  15.082  4.0077  -1.163091      5.727463 
1 1 1 17  14  17 o 21.965  2.5811  69.858    14.466    54.690    20.133    86.043    20.798    19.276  4.0292  24.653  3.2272  -5.376377      5.162237 
1 1 1 17  14  18 o 34.251  2.2580  165.556   20.361    186.163   29.142    145.904   28.459    36.443  3.0125  32.058  3.3644  4.385246       4.516025 
1 1 1 17  14  19 o 26.012  2.4724  97.156    16.769    103.496   24.249    91.345    23.214    26.858  3.4506  25.166  3.5419  1.691797       4.944854 
1 1 1 17  14  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  14  21 o 14.570  3.0385  31.958    12.719    36.499    18.352    27.759    17.645    15.481  4.2817  13.660  4.3123  1.821116       6.076949 
1 1 1 17  14  22 o 17.662  2.9695  47.794    14.774    73.695    21.332    23.918    20.481    22.320  3.6977  13.003  4.6475  9.316575       5.939003 
1 1 1 17  14  23 o 38.025  2.3233  209.627   23.372    194.234   32.982    225.152   33.123    36.502  3.4131  39.548  3.1532  -3.046116      4.646646 
1 1 1 17  14  24 o 11.758  2.9622  18.717    12.250    28.916    17.689    9.3175    16.982    13.561  4.3215  9.9549  4.0524  3.606552       5.924336 
1 1 1 17  15  0  o 49.192  1.9251  327.413   25.263    320.580   35.675    334.287   35.780    48.671  2.7477  49.713  2.6971  -1.042099      3.850268 
1 1 1 17  15  1  f 79.273  2.1773  850.416   46.194    885.314   65.135    815.101   65.522    80.928  3.0048  77.617  3.1517  3.311409       4.354555 
1 1 1 17  15  2  o 14.689  2.4654  30.442    9.5563    29.506    13.515    31.377    13.515    14.461  3.5219  14.917  3.4510  -0.4561443     4.930834 
1 1 1 17  15  3  o 6.6089  1.9728  -4.2071   6.7924    6.4892    9.4983    -15.4018  9.7171    8.2272  3.1245  4.9906  2.4095  3.236625       3.945613 
1 1 1 17  15  4  o 55.892  1.9967  422.957   29.830    409.447   41.936    436.794   42.442    54.945  2.8593  56.839  2.7878  -1.893467      3.993438 
1 1 1 17  15  5  o 42.966  1.9720  250.907   22.547    237.259   31.829    264.654   31.944    41.772  2.8620  44.161  2.7138  -2.388569      3.944072 
1 1 1 17  15  6  o 56.991  2.0297  440.753   30.915    450.206   43.460    431.070   43.986    57.659  2.8141  56.323  2.9257  1.336716       4.059418 
1 1 1 17  15  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  15  8  o 85.413  2.3508  995.004   53.780    988.701   75.873    1001.37   76.241    85.140  3.3271  85.686  3.3219  -0.5461044     4.701569 
1 1 1 17  15  9  o 50.551  2.0566  348.638   27.728    346.652   39.076    350.654   39.353    50.406  2.9066  50.696  2.9103  -0.2898979     4.113173 
1 1 1 17  15  10 o 45.316  2.0453  280.817   24.695    281.950   34.794    279.668   35.054    45.414  2.8752  45.218  2.9098  0.1959839      4.090680 
1 1 1 17  15  11 o 9.8984  2.6049  10.359    9.3766    14.117    12.910    6.1629    13.641    10.620  3.6990  9.1766  3.6686  1.443503       5.209750 
1 1 1 17  15  12 o 27.773  2.2449  107.572   16.231    124.313   23.155    91.400    22.758    30.007  2.9178  25.539  3.4123  4.468197       4.489707 
1 1 1 17  15  13 o 41.344  2.1256  236.629   23.250    209.244   32.757    264.433   33.006    38.844  3.1762  43.845  2.8256  -5.000931      4.251133 
1 1 1 17  15  14 o 25.087  2.3659  88.715    15.486    93.295    22.066    84.269    21.739    25.761  3.2717  24.412  3.4184  1.349277       4.731734 
1 1 1 17  15  15 o 18.825  2.7150  51.837    13.218    45.981    18.877    57.472    18.516    17.672  4.0718  19.978  3.5923  -2.306307      5.429925 
1 1 1 17  15  16 o 20.181  2.7308  59.833    14.148    78.205    20.418    42.865    19.622    23.425  3.3496  16.936  4.3138  6.489477       5.461531 
1 1 1 17  15  17 o 36.136  2.2429  183.975   21.482    189.389   30.509    178.650   30.255    36.687  3.1348  35.584  3.2088  1.102600       4.485875 
1 1 1 17  15  18 o 10.457  4.0749  11.193    16.450    11.193    16.450    0.0000    0.0000    10.457  4.0749  ?       ?       ?              ?        
1 1 1 17  15  19 f 16.044  3.8023  27.952    16.008    66.365    37.259    19.256    17.728    20.041  6.2572  12.046  4.3219  7.994784       7.604673 
1 1 1 17  15  20 o 23.884  2.6884  83.976    16.620    86.062    23.682    81.952    23.331    24.195  3.7777  23.573  3.8262  0.6217861      5.376891 
1 1 1 17  15  21 o 35.421  2.3994  181.309   22.272    210.298   32.010    154.107   31.008    38.367  3.1424  32.475  3.6267  5.892113       4.798722 
1 1 1 17  15  22 o 29.629  2.5290  130.306   19.330    107.552   27.287    153.227   27.386    26.712  3.9314  32.546  3.1823  -5.833868      5.057927 
1 1 1 17  16  0  o 37.957  1.9371  195.615   19.543    206.162   27.774    185.270   27.505    38.988  2.6759  36.927  2.8017  2.060841       3.874241 
1 1 1 17  16  1  o 24.123  2.1095  80.243    13.220    91.272    18.739    69.313    18.654    25.849  2.7488  22.397  3.2006  3.451986       4.218927 
1 1 1 17  16  2  o 57.036  1.9831  440.426   30.234    425.565   42.504    455.647   43.016    56.019  2.8420  58.053  2.7664  -2.033375      3.966139 
1 1 1 17  16  3  o 34.225  1.9991  159.752   18.126    170.582   25.633    148.922   25.634    35.414  2.7232  33.035  2.9274  2.379845       3.998144 
1 1 1 17  16  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  16  5  o 34.188  3.8694  161.984   34.809    0.0000    0.0000    161.984   34.809    ?       ?       34.188  3.8694  ?              ?        
1 1 1 17  16  6  o 39.859  1.9976  216.964   21.106    195.165   29.719    239.151   29.981    37.791  2.9596  41.927  2.6838  -4.135120      3.995262 
1 1 1 17  16  7  o 72.553  2.1971  717.253   42.689    698.671   60.147    736.115   60.599    71.595  3.1365  73.512  3.0777  -1.917328      4.394279 
1 1 1 17  16  8  o 40.241  2.0532  222.151   21.901    202.516   31.079    241.520   30.868    38.419  3.0451  42.063  2.7550  -3.644112      4.106392 
1 1 1 17  16  9  o 9.4413  2.5548  8.3398    9.1501    11.964    12.719    4.4523    13.174    10.119  3.6569  8.7634  3.5685  1.355739       5.109552 
1 1 1 17  16  10 o 18.088  2.6648  47.146    12.515    37.068    17.606    57.441    17.794    16.009  4.0907  20.167  3.4162  -4.157816      5.329545 
1 1 1 17  16  11 o 32.507  2.1666  146.501   18.573    132.471   26.089    160.917   26.446    30.866  3.2022  34.148  2.9194  -3.282476      4.333290 
1 1 1 17  16  12 o 33.938  2.1575  159.872   19.396    155.039   27.388    164.736   27.472    33.403  3.0964  34.474  3.0052  -1.071667      4.315021 
1 1 1 17  16  13 o 44.427  2.1538  274.101   25.460    284.133   35.999    264.062   36.012    45.275  2.9853  43.580  3.1054  1.695118       4.307609 
1 1 1 17  16  14 o 12.979  2.9177  23.964    11.408    23.986    16.113    23.943    16.154    12.983  4.1232  12.976  4.1293  0.6685257E-02  5.835377 
1 1 1 17  16  15 o 36.697  2.2188  189.066   21.593    190.033   30.230    188.059   30.853    36.817  3.0943  36.578  3.1808  0.2387161      4.437561 
1 1 1 17  16  16 o 8.7752  2.5752  3.9154    9.9480    4.8658    14.178    2.9939    13.961    8.9512  3.6800  8.5993  3.6034  0.3518801      5.150432 
1 1 1 17  16  17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  16  18 o 6.3397  2.1088  -12.8058  9.2079    -15.0715  13.264    -10.6980  12.793    6.2074  2.9476  6.4720  3.0165  -0.2645421     4.217543 
1 1 1 17  16  19 o 16.490  3.1769  41.581    14.424    47.638    21.298    36.449    19.603    17.563  4.5055  15.417  4.4803  2.146435       6.353893 
1 1 1 17  16  20 f 17.194  3.0830  46.306    14.499    34.766    20.758    57.302    20.261    14.960  4.6704  19.428  4.0258  -4.468644      6.166003 
1 1 1 17  16  21 o 5.9169  2.0257  -21.4124  9.9192    -27.3444  14.015    -15.4588  14.041    5.4865  2.7011  6.3473  3.0194  -0.8607779     4.051312 
1 1 1 17  17  0  o 77.285  2.8491  821.051   53.547    825.435   63.917    810.732   98.062    78.038  3.0579  76.533  4.8081  1.504631       5.698145 
1 1 1 17  17  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  17  2  o 47.522  2.7788  306.829   35.217    0.0000    0.0000    306.829   35.217    ?       ?       47.522  2.7788  ?              ?        
1 1 1 17  17  3  o 13.734  2.5629  26.548    9.9912    37.155    14.089    15.820    14.170    16.228  3.3523  11.240  3.8776  4.988666       5.125802 
1 1 1 17  17  4  o 31.588  2.0406  136.567   17.074    135.673   24.135    137.462   24.157    31.482  2.8947  31.695  2.8769  -0.2128906     4.081148 
1 1 1 17  17  5  f 43.249  2.0191  255.263   23.258    255.648   32.794    254.873   32.991    43.285  2.8444  43.213  2.8666  0.7208633E-01  4.038295 
1 1 1 17  17  6  o 54.827  2.0622  410.770   30.151    425.299   42.405    395.914   42.879    55.837  2.8448  53.818  2.9863  2.018692       4.124434 
1 1 1 17  17  7  o 48.593  2.0816  324.093   26.871    352.698   37.908    295.204   38.095    50.813  2.7960  46.374  3.0846  4.439041       4.163196 
1 1 1 17  17  8  o 26.138  2.2780  95.753    15.461    84.848    22.287    105.868   21.465    24.592  3.4806  27.683  2.9399  -3.090523      4.556082 
1 1 1 17  17  9  o 27.067  2.2794  102.107   16.196    103.098   23.232    101.169   22.591    27.186  3.2551  26.948  3.1918  0.2382984      4.558881 
1 1 1 17  17  10 o 39.237  2.1526  213.899   22.295    188.298   31.626    239.195   31.436    36.797  3.2419  41.678  2.8328  -4.880814      4.305235 
1 1 1 17  17  11 o 16.147  2.7592  38.308    12.034    49.217    16.953    27.231    17.083    18.510  3.5486  13.785  4.2260  4.725085       5.518316 
1 1 1 17  17  12 o 28.385  2.3522  114.262   17.274    134.888   24.559    94.066    24.302    31.102  2.9847  25.669  3.6362  5.432219       4.704353 
1 1 1 17  17  13 o 13.956  2.9116  28.006    11.918    19.771    16.569    36.835    17.157    12.132  4.1925  15.781  4.0413  -3.648369      5.823196 
1 1 1 17  17  14 o 26.254  2.4939  98.685    17.089    97.755    24.325    99.590    24.014    26.109  3.5720  26.398  3.4811  -0.2897453     4.987720 
1 1 1 17  17  15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  17  16 o 12.577  3.0333  21.879    12.412    26.730    17.334    16.776    17.780    13.520  4.2748  11.633  4.3046  1.886353       6.066535 
1 1 1 17  17  17 f 21.813  2.8243  70.856    15.853    63.266    22.518    78.316    22.323    20.494  4.2419  23.131  3.7299  -2.636997      5.648526 
1 1 1 17  17  18 f 46.454  2.3090  308.017   28.540    316.555   40.475    299.574   40.248    47.132  3.2255  45.777  3.3048  1.354317       4.617952 
1 1 1 17  17  19 o 25.201  2.7449  94.972    17.920    95.049    25.833    94.901    24.880    25.156  3.9652  25.247  3.7969  -0.9031677E-01 5.489869 
1 1 1 17  18  0  o 24.830  2.2534  85.258    14.614    88.391    20.389    81.948    20.959    25.334  3.0672  24.325  3.3021  1.008492       4.506827 
1 1 1 17  18  1  o 75.441  2.1915  774.846   44.221    818.410   62.375    730.822   62.703    77.611  3.0005  73.271  3.1950  4.340721       4.383054 
1 1 1 17  18  2  o 59.511  2.0410  481.126   32.532    474.493   45.897    487.823   46.117    59.095  2.8996  59.927  2.8731  -0.8321838     4.081949 
1 1 1 17  18  3  o 22.438  2.3552  70.154    13.681    77.635    19.680    63.156    19.033    23.653  3.1875  21.223  3.4681  2.430645       4.710367 
1 1 1 17  18  4  o 51.511  2.0465  362.464   28.121    359.958   39.857    364.949   39.682    51.327  2.9111  51.695  2.8773  -0.3673630     4.093086 
1 1 1 17  18  5  o 45.640  2.0405  285.137   24.815    282.377   34.931    287.949   35.259    45.416  2.8865  45.864  2.8849  -0.4482040     4.080987 
1 1 1 17  18  6  o 39.188  2.0760  211.314   21.595    199.928   30.725    222.431   30.360    38.103  3.0357  40.272  2.8326  -2.168854      4.151947 
1 1 1 17  18  7  o 41.570  2.0767  237.831   22.958    226.852   32.312    249.024   32.624    40.575  2.9943  42.565  2.8784  -1.990601      4.153462 
1 1 1 17  18  8  o 49.439  2.1186  337.189   27.907    349.074   39.413    325.239   39.519    50.345  2.9355  48.534  3.0556  1.810490       4.237214 
1 1 1 17  18  9  o 32.183  2.1803  144.148   18.564    145.399   26.250    142.895   26.256    32.329  3.0681  32.036  3.0985  0.2935295      4.360538 
1 1 1 17  18  10 o 37.886  2.1940  200.059   22.056    192.640   31.170    207.498   31.214    37.150  3.1625  38.623  3.0419  -1.472298      4.388021 
1 1 1 17  18  11 o 23.666  2.5770  80.911    15.608    66.418    22.028    95.521    22.118    21.326  4.0034  26.006  3.2460  -4.679485      5.154003 
1 1 1 17  18  12 o 18.852  2.8104  52.325    13.744    52.389    19.371    52.260    19.502    18.870  3.9590  18.834  3.9900  0.3548050E-01  5.620849 
1 1 1 17  18  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  18  14 o 17.200  2.9226  44.174    13.565    58.053    19.517    31.203    18.868    19.896  3.8010  14.503  4.4404  5.392241       5.845104 
1 1 1 17  18  15 o 14.232  2.9825  29.278    13.245    44.890    18.524    12.947    18.945    17.310  4.0645  11.154  4.3658  6.155965       5.964927 
1 1 1 17  18  16 o 28.572  2.5624  118.832   18.997    103.371   26.809    134.427   26.924    26.513  3.8908  30.631  3.3355  -4.117817      5.124846 
1 1 1 17  18  17 o 12.507  3.0370  21.368    12.812    31.367    18.198    11.541    18.041    14.340  4.3548  10.673  4.2343  3.666821       6.073983 
1 1 1 17  18  18 o 7.3490  2.2844  -15.6094  10.382    9.7926    14.581    -41.7260  14.785    9.7115  3.8212  4.9865  2.5046  4.724963       4.568893 
1 1 1 17  19  0  o 82.820  2.2732  936.007   50.423    937.141   70.969    934.850   71.654    82.879  3.1970  82.761  3.2324  0.1183167      4.546320 
1 1 1 17  19  1  o 17.034  2.7057  41.291    12.061    35.657    16.620    47.560    17.531    15.776  3.9438  18.291  3.7053  -2.514705      5.411371 
1 1 1 17  19  2  o 23.249  2.2933  75.305    13.891    75.649    19.781    74.970    19.512    23.298  3.2591  23.200  3.2274  0.9802246E-01  4.586680 
1 1 1 17  19  3  o 36.046  2.0863  178.713   19.939    168.917   28.224    188.472   28.172    35.026  3.0386  37.067  2.8597  -2.041306      4.172611 
1 1 1 17  19  4  o 51.433  2.0729  363.505   28.344    396.603   40.137    330.578   40.033    53.835  2.7931  49.030  3.0637  4.805408       4.145826 
1 1 1 17  19  5  f 17.022  2.7469  41.871    12.252    44.107    17.363    39.653    17.292    17.495  3.8129  16.548  3.9552  0.9473782      5.493777 
1 1 1 17  19  6  o 4.9229  1.7101  -22.1959  7.5931    -26.9387  10.145    -16.1547  11.450    4.2996  2.1472  5.5463  2.6622  -1.246755      3.420136 
1 1 1 17  19  7  o 23.949  2.4698  81.173    15.362    76.766    21.333    85.920    22.141    23.247  3.5377  24.652  3.4475  -1.405182      4.939677 
1 1 1 17  19  8  o 13.329  2.9235  25.290    11.647    20.541    16.648    29.842    16.300    12.347  4.2047  14.311  4.0629  -1.963791      5.846918 
1 1 1 17  19  9  o 41.764  2.1648  243.077   23.964    218.885   33.521    268.363   34.271    39.559  3.1908  43.969  2.9266  -4.410305      4.329690 
1 1 1 17  19  10 o 27.860  2.4233  110.521   17.562    96.553    24.733    124.725   24.940    25.948  3.6603  29.771  3.1767  -3.823082      4.846553 
1 1 1 17  19  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  19  12 o 23.244  2.7074  79.274    16.125    89.409    22.429    68.431    23.199    24.996  3.4412  21.491  4.1807  3.505835       5.414820 
1 1 1 17  19  13 o 8.0546  2.3354  -6.6545   9.8979    14.265    13.703    -29.4736  14.312    10.599  3.8001  5.5101  2.7160  5.088980       4.670896 
1 1 1 17  19  14 o 11.724  2.9944  17.641    12.108    21.688    17.627    14.025    16.660    12.492  4.3239  10.957  4.1435  1.535946       5.988729 
1 1 1 17  19  15 o 34.535  2.4432  171.818   22.294    175.594   31.697    168.121   31.361    34.930  3.4323  34.141  3.4780  0.7885056      4.886418 
1 1 1 17  19  16 o 11.584  2.9676  16.331    12.588    27.716    17.774    4.8729    17.830    13.540  4.3338  9.6282  4.0553  3.911599       5.935236 
1 1 1 17  20  0  o 40.298  2.0642  223.458   22.038    241.513   30.855    204.655   31.488    42.024  2.7565  38.571  3.0733  3.453285       4.128369 
1 1 1 17  20  1  o 42.885  2.0158  252.139   23.022    248.602   32.522    255.692   32.594    42.577  2.8685  43.194  2.8329  -0.6177406     4.031596 
1 1 1 17  20  2  o 38.386  2.0632  202.923   21.024    213.998   29.677    191.763   29.789    39.476  2.8254  37.296  3.0075  2.179459       4.126485 
1 1 1 17  20  3  o 15.399  2.7841  34.328    11.522    33.705    16.004    34.999    16.602    15.259  3.9008  15.538  3.9735  -0.2785797     5.568227 
1 1 1 17  20  4  o 14.812  2.8755  31.819    11.956    39.110    16.816    24.366    17.002    16.410  3.8859  13.215  4.2396  3.195151       5.751012 
1 1 1 17  20  5  o 13.699  2.8479  26.874    11.199    23.047    15.574    30.971    16.114    12.808  4.0522  14.589  4.0029  -1.781593      5.695873 
1 1 1 17  20  6  o 14.402  2.9471  30.162    12.017    28.379    16.662    32.094    17.348    13.995  4.1485  14.810  4.1869  -0.8148155     5.894102 
1 1 1 17  20  7  o 19.511  2.7341  55.588    13.768    42.006    19.107    70.255    19.856    16.837  4.2395  22.186  3.4537  -5.349566      5.468243 
1 1 1 17  20  8  o 6.7992  3.1082  -7.6348   12.658    -7.6348   12.658    0.0000    0.0000    6.7992  3.1082  ?       ?       ?              ?        
1 1 1 17  20  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  20  10 o 30.949  2.3362  135.688   19.021    126.012   26.820    145.480   26.981    29.766  3.4265  32.132  3.1766  -2.366575      4.672419 
1 1 1 17  20  11 o 20.833  2.8141  63.969    15.130    65.252    21.385    62.682    21.408    21.068  3.9343  20.599  4.0245  0.4689198      5.628113 
1 1 1 17  20  12 o 19.382  2.9945  56.680    15.186    45.024    21.323    68.677    21.633    17.167  4.5602  21.598  3.8823  -4.430704      5.988958 
1 1 1 17  20  13 o 25.380  2.7384  95.227    17.689    74.118    24.648    117.646   25.401    22.152  4.3091  28.608  3.3803  -6.455853      5.476772 
1 1 1 17  20  14 o 23.373  2.7730  81.954    16.606    68.925    23.488    94.974    23.480    21.251  4.2746  25.495  3.5335  -4.243822      5.545934 
1 1 1 17  21  0  o 35.486  2.1523  174.201   20.243    178.170   28.315    170.051   28.951    35.930  2.9689  35.043  3.1169  0.8863106      4.304593 
1 1 1 17  21  1  o 52.223  2.0820  375.636   29.001    373.003   41.210    378.221   40.822    52.029  2.9694  52.418  2.9191  -0.3882408     4.163948 
1 1 1 17  21  2  o 34.647  2.1292  166.483   19.560    164.019   27.714    168.928   27.609    34.378  3.0411  34.916  2.9807  -0.5379028     4.258337 
1 1 1 17  21  3  o 30.134  2.2520  127.241   17.827    115.700   25.224    138.758   25.197    28.687  3.3456  31.580  3.0155  -2.892544      4.504074 
1 1 1 17  21  4  o 15.723  2.9451  36.274    12.745    43.911    18.213    28.946    17.841    17.301  4.0088  14.145  4.3155  3.155918       5.890170 
1 1 1 17  21  5  f 15.556  2.9926  35.812    12.813    37.751    17.719    33.687    18.549    15.992  4.1134  15.119  4.3478  0.8722553      5.985262 
1 1 1 17  21  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  21  7  f 44.847  2.2110  281.853   26.319    261.282   37.411    302.010   37.033    43.133  3.2623  46.561  2.9852  -3.427696      4.422025 
1 1 1 17  21  8  o 10.856  2.9134  12.324    11.744    7.4305    15.778    18.404    17.586    9.7493  3.9285  11.962  4.3032  -2.212976      5.826707 
1 1 1 17  21  9  o 20.559  2.8406  62.574    15.063    68.597    21.118    56.337    21.491    21.698  3.7704  19.420  4.2496  2.278154       5.681141 
1 1 1 17  21  10 o 10.853  2.7565  9.9596    12.119    28.139    16.504    -11.3132  17.852    13.796  4.1376  7.9091  3.6433  5.886837       5.513077 
1 1 1 17  21  11 o 15.971  3.0852  38.097    14.040    25.106    19.266    52.813    20.505    13.244  4.5231  18.698  4.1971  -5.453994      6.170451 
1 1 1 17  21  12 o 23.050  2.8281  79.441    16.823    77.887    23.944    80.956    23.640    22.780  4.0738  23.321  3.9239  -0.5409641     5.656224 
1 1 1 17  21  13 o 39.431  2.4365  226.783   25.189    262.491   35.817    191.840   35.431    42.784  3.1476  36.077  3.7200  6.707108       4.872972 
1 1 1 17  22  0  o 30.469  2.2926  129.502   18.199    106.601   24.957    155.507   26.595    27.480  3.4679  33.458  2.9994  -5.977924      4.585102 
1 1 1 17  22  1  o 28.192  2.3493  111.613   17.364    103.136   23.991    120.939   25.164    27.030  3.3881  29.353  3.2554  -2.323376      4.698628 
1 1 1 17  22  2  o 35.339  2.1799  174.103   20.407    184.557   29.239    164.175   28.494    36.406  3.0259  34.273  3.1387  2.132214       4.359813 
1 1 1 17  22  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  22  4  o 31.002  3.2457  135.322   26.552    0.0000    0.0000    135.322   26.552    ?       ?       31.002  3.2457  ?              ?        
1 1 1 17  22  5  o 23.544  2.7643  81.114    16.657    67.387    23.633    94.664    23.480    21.333  4.2848  25.756  3.4938  -4.423183      5.528629 
1 1 1 17  22  6  o 29.403  2.3656  122.692   18.250    131.225   25.776    114.116   25.842    30.507  3.2022  28.299  3.4829  2.207693       4.731233 
1 1 1 17  22  7  o 38.638  2.2804  210.492   23.368    217.913   32.979    203.010   33.116    39.367  3.1540  37.908  3.2942  1.459084       4.560707 
1 1 1 17  22  8  o 14.456  3.1279  29.488    13.833    17.049    18.739    44.381    20.504    11.809  4.4093  17.103  4.4377  -5.293795      6.255781 
1 1 1 17  22  9  o 16.489  2.7894  40.516    14.099    71.739    19.900    9.0482    19.978    22.254  3.4502  10.724  4.3839  11.52950       5.578755 
1 1 1 17  22  10 o 12.876  3.1042  23.358    13.280    31.691    18.400    14.296    19.187    14.442  4.3774  11.310  4.4027  3.131813       6.208453 
1 1 1 17  22  11 o 21.199  3.0038  69.124    16.453    59.816    23.184    78.567    23.353    19.552  4.5178  22.846  3.9598  -3.293312      6.007537 
1 1 1 17  23  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 17  23  1  o 9.0484  2.7071  2.4356    11.196    3.5930    14.546    0.7535    17.536    8.8803  3.6960  9.2164  3.9564  -0.3361092     5.414230 
1 1 1 17  23  2  o 11.003  2.4479  8.7266    11.293    34.485    15.006    -24.9130  17.149    15.346  3.6949  6.6603  3.2120  8.686089       4.895828 
1 1 1 17  23  3  o 23.781  2.5335  81.104    15.550    70.698    21.599    92.302    22.405    22.080  3.7885  25.482  3.3649  -3.402294      5.067076 
1 1 1 17  23  4  o 18.490  3.0297  51.372    14.753    57.449    20.459    44.789    21.293    19.747  4.0050  17.232  4.5471  2.515732       6.059401 
1 1 1 17  23  5  o 15.793  3.0859  37.587    13.854    47.557    19.272    26.926    19.930    17.859  4.1137  13.726  4.6009  4.133131       6.171723 
1 1 1 17  23  6  o 9.7662  2.7154  4.2275    11.277    -8.2436   15.157    19.689    16.877    7.4669  3.4087  12.065  4.2278  -4.598491      5.430786 
1 1 1 17  23  7  o 15.450  3.1128  35.858    13.529    30.521    18.301    42.289    20.089    14.269  4.3740  16.631  4.4302  -2.362249      6.225605 
1 1 1 17  23  8  o 14.025  3.1638  29.343    13.928    38.833    19.188    18.776    20.249    15.890  4.3714  12.160  4.5749  3.729723       6.327681 
1 1 1 17  24  0  o 21.372  2.9143  70.608    15.861    94.857    21.689    42.731    23.255    25.916  3.1920  16.827  4.8768  9.088741       5.828547 
1 1 1 17  24  1  o 31.457  2.4074  140.116   19.947    135.622   27.589    145.037   28.873    30.934  3.3850  31.980  3.4239  -1.046179      4.814750 
1 1 1 17  24  2  o 22.711  2.7949  75.271    16.360    71.668    22.396    79.395    23.956    22.132  3.9216  23.291  3.9833  -1.158791      5.589806 
1 1 1 17  24  3  o 20.266  2.8684  60.841    15.020    51.770    20.879    70.573    21.625    18.560  4.2864  21.971  3.8129  -3.411047      5.736881 
1 1 1 17  24  4  o 23.100  2.6665  77.922    15.913    72.891    22.093    83.346    22.940    22.276  3.8415  23.924  3.6992  -1.647930      5.333079 
1 1 1 17  24  5  o 32.315  2.4359  150.128   20.757    149.344   29.125    150.938   29.591    32.241  3.4251  32.390  3.4646  -0.1485176     4.871800 
1 1 1 17  24  6  o 12.369  2.8173  18.660    12.918    39.335    17.481    -6.2103   19.173    16.070  4.0598  8.6668  3.9073  7.403623       5.634626 
1 1 1 17  25  0  o 7.6103  2.4382  -6.5238   10.560    -1.9165   13.066    -15.2037  17.934    7.6272  3.3430  7.5935  3.5500  0.3371477E-01  4.876315 
1 1 1 17  25  1  o 25.201  2.7773  94.736    17.738    111.625   24.437    75.930    25.788    27.958  3.3288  22.445  4.4467  5.513205       5.554621 
1 1 1 17  25  2  o 24.206  2.6975  85.319    16.712    68.401    22.680    105.417   24.720    21.391  4.1077  27.022  3.4975  -5.630762      5.394927 
1 1 1 17  25  3  o 10.586  2.7385  7.5424    11.399    -7.5415   14.999    28.167    17.538    7.4567  3.3989  13.716  4.2948  -6.258786      5.477011 
1 1 1 17  26  0  o 12.859  2.6481  21.092    12.862    45.795    16.803    -13.8585  19.987    17.544  3.6925  8.1744  3.7968  9.369977       5.296243 
1 1 1 18  -34 5  o 12.536  3.3244  29.412    15.307    24.040    23.206    33.549    20.367    11.772  4.7570  13.300  4.6453  -1.528221      6.648886 
1 1 1 18  -34 6  o 7.8305  2.4720  -11.7402  12.790    -51.3583  20.593    13.140    16.319    5.8166  2.9258  9.8445  3.9853  -4.027935      4.943972 
1 1 1 18  -34 7  o 10.812  3.0441  12.262    13.923    34.864    22.094    -2.6250   17.931    13.489  4.8263  8.1349  3.7112  5.353650       6.088233 
1 1 1 18  -34 8  o 7.4770  2.4548  -6.1013   10.999    -3.5849   19.292    -7.3132   13.388    8.3037  3.8111  6.6503  3.0951  1.653422       4.909589 
1 1 1 18  -34 9  o 10.731  2.9977  16.708    13.652    2.5806    21.399    26.405    17.729    9.2303  4.1477  12.232  4.3290  -3.001857      5.995328 
1 1 1 18  -34 10 o 10.177  3.0555  7.8648    14.587    26.496    23.430    -3.9275   18.640    12.204  4.8305  8.1514  3.7430  4.052179       6.110948 
1 1 1 18  -34 11 o 11.840  3.2245  24.188    15.188    11.824    24.085    32.350    19.570    10.461  4.5631  13.219  4.5571  -2.758259      6.448957 
1 1 1 18  -34 12 o 13.478  3.3017  28.361    15.814    59.773    25.261    8.1154    20.280    17.326  5.1005  9.6294  4.1941  7.696404       6.603476 
1 1 1 18  -34 13 o 10.404  4.2280  15.764    18.444    0.0000    0.0000    15.764    18.444    ?       ?       10.404  4.2280  ?              ?        
1 1 1 18  -34 14 f 8.4694  3.7916  1.5004    17.706    0.0000    0.0000    1.5004    17.706    ?       ?       8.4694  3.7916  ?              ?        
1 1 1 18  -34 15 o 10.122  4.3299  12.646    20.870    0.0000    0.0000    12.646    20.870    ?       ?       10.122  4.3299  ?              ?        
1 1 1 18  -34 16 o 18.663  4.6220  65.802    22.984    0.0000    0.0000    65.802    22.984    ?       ?       18.663  4.6220  ?              ?        
1 1 1 18  -34 17 o 19.724  4.7595  75.172    24.856    0.0000    0.0000    75.172    24.856    ?       ?       19.724  4.7595  ?              ?        
1 1 1 18  -34 18 o 11.139  4.4031  22.225    19.442    0.0000    0.0000    22.225    19.442    ?       ?       11.139  4.4031  ?              ?        
1 1 1 18  -34 19 o 11.503  4.5190  25.313    20.363    0.0000    0.0000    25.313    20.363    ?       ?       11.503  4.5190  ?              ?        
1 1 1 18  -34 20 o 9.6584  3.0611  9.3099    15.924    15.769    25.715    5.2925    20.281    10.385  4.6145  8.9321  4.0235  1.452589       6.122291 
1 1 1 18  -34 21 o 7.8855  2.6283  -5.3005   14.053    -10.5682  23.724    -2.4531   17.442    8.0584  3.8584  7.7126  3.5698  0.3458900      5.256505 
1 1 1 18  -34 22 o 8.8151  2.8714  -12.1164  15.502    31.978    26.202    -35.8634  19.229    11.709  4.9229  5.9215  2.9570  5.787193       5.742752 
1 1 1 18  -34 23 o 15.054  3.7672  60.827    19.250    56.452    28.998    64.274    25.740    14.071  5.4304  16.038  5.2229  -1.967004      7.534474 
1 1 1 18  -33 0  o 14.484  3.4974  40.336    16.267    39.736    24.580    40.802    21.699    14.262  5.0919  14.706  4.7957  -0.4437742     6.994771 
1 1 1 18  -33 1  o 28.291  2.8330  132.879   20.562    115.538   29.556    149.144   28.624    25.924  4.4146  30.658  3.5516  -4.733280      5.665936 
1 1 1 18  -33 2  o 8.8308  2.6929  2.9693    12.302    -11.8660  19.655    12.523    15.773    7.7927  3.6664  9.8688  3.9450  -2.076019      5.385702 
1 1 1 18  -33 3  o 7.1079  2.3848  -12.6569  11.152    -8.1992   19.775    -14.7356  13.504    8.1381  3.7788  6.0778  2.9103  2.060362       4.769650 
1 1 1 18  -33 4  f 13.383  3.2478  31.652    14.581    21.875    22.591    38.634    19.090    11.904  4.7333  14.862  4.4484  -2.957769      6.495584 
1 1 1 18  -33 5  o 14.025  3.2883  34.921    14.407    32.384    22.500    36.684    18.757    13.521  4.8671  14.529  4.4232  -1.007775      6.576690 
1 1 1 18  -33 6  o 9.2374  3.9293  6.5938    17.013    0.0000    0.0000    6.5938    17.013    ?       ?       9.2374  3.9293  ?              ?        
1 1 1 18  -33 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -33 8  o 9.2509  4.3706  -14.3361  28.469    -14.3361  28.469    0.0000    0.0000    9.2509  4.3706  ?       ?       ?              ?        
1 1 1 18  -33 9  o 18.666  5.0639  64.121    25.960    64.121    25.960    0.0000    0.0000    18.666  5.0639  ?       ?       ?              ?        
1 1 1 18  -33 10 o 13.361  3.3500  28.642    15.418    46.266    23.936    16.143    20.157    15.779  5.0270  10.942  4.4293  4.836434       6.699961 
1 1 1 18  -33 11 o 9.8195  2.7748  8.4452    12.929    -19.5197  22.130    22.938    15.931    7.7895  3.7288  11.850  4.1101  -4.060124      5.549520 
1 1 1 18  -33 12 o 14.863  2.9342  27.600    15.056    77.349    24.365    -3.1319   19.150    21.249  4.4246  8.4768  3.8548  12.77252       5.868318 
1 1 1 18  -33 13 o 12.199  3.2522  22.314    14.686    37.421    22.985    11.893    19.091    14.220  4.9367  10.178  4.2350  4.042195       6.504327 
1 1 1 18  -33 14 o 12.491  3.4082  26.626    16.010    27.208    24.990    26.221    20.851    12.597  4.9878  12.385  4.6458  0.2117348      6.816327 
1 1 1 18  -33 15 o 14.927  3.3255  37.335    15.080    60.979    24.653    23.200    19.062    18.039  4.9518  11.816  4.4401  6.222830       6.650966 
1 1 1 18  -33 16 o 8.4654  2.5838  0.9742    11.893    -22.6486  20.407    13.124    14.635    7.1586  3.4650  9.7722  3.8337  -2.613655      5.167568 
1 1 1 18  -33 17 o 9.5906  2.9768  4.3948    14.304    16.590    23.411    -2.8696   18.069    11.006  4.6418  8.1751  3.7280  2.831072       5.953506 
1 1 1 18  -33 18 o 12.875  3.4426  30.953    16.091    32.811    25.232    29.679    20.891    13.054  5.0579  12.696  4.6716  0.3580923      6.885199 
1 1 1 18  -33 19 o 8.6114  2.7515  -5.2614   13.099    15.652    22.189    -16.4479  16.228    10.661  4.5088  6.5619  3.1548  4.099008       5.502929 
1 1 1 18  -33 20 o 8.7220  2.8274  -1.0444   14.853    -3.7392   23.057    0.8671    19.419    8.7950  4.0826  8.6491  3.9127  0.1459236      5.654864 
1 1 1 18  -33 21 o 6.9560  2.3540  -14.6421  12.495    -23.8363  19.852    -8.6106   16.079    6.8251  3.3296  7.0869  3.3285  -0.2618213     4.707962 
1 1 1 18  -33 22 o 17.066  5.4092  65.549    27.741    65.549    27.741    0.0000    0.0000    17.066  5.4092  ?       ?       ?              ?        
1 1 1 18  -33 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -33 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -33 25 o 8.0473  3.7080  0.2130    18.510    0.0000    0.0000    0.2130    18.510    ?       ?       8.0473  3.7080  ?              ?        
1 1 1 18  -33 26 o 10.365  3.2426  21.366    17.761    18.920    27.719    23.069    23.133    10.196  4.6370  10.535  4.5339  -0.3393469     6.485181 
1 1 1 18  -33 27 o 9.0908  4.3061  6.8336    27.970    6.8336    27.970    0.0000    0.0000    9.0908  4.3061  ?       ?       ?              ?        
1 1 1 18  -32 0  f 18.085  3.2372  58.000    16.188    41.777    24.345    70.857    21.674    15.215  5.0851  20.956  4.0075  -5.740850      6.474427 
1 1 1 18  -32 1  o 13.190  3.2360  26.033    14.113    42.902    22.673    15.362    18.032    15.596  4.8831  10.784  4.2475  4.811749       6.471938 
1 1 1 18  -32 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -32 3  o 11.108  5.0273  2.1602    32.098    2.1602    32.098    0.0000    0.0000    11.108  5.0273  ?       ?       ?              ?        
1 1 1 18  -32 4  o 8.4842  2.6407  -1.5512   11.281    8.6686    18.774    -7.3262   14.113    9.9476  4.1740  7.0207  3.2360  2.926931       5.281478 
1 1 1 18  -32 5  o 13.651  2.7231  28.249    13.530    -5.7282   20.448    54.713    18.046    8.6591  3.9553  18.643  3.7439  -9.984300      5.446197 
1 1 1 18  -32 6  o 26.345  2.7117  108.618   18.475    121.336   26.494    96.580    25.776    28.074  3.6067  24.615  4.0504  3.458952       5.423485 
1 1 1 18  -32 7  f 12.605  3.1184  25.479    13.716    13.462    21.236    34.080    17.966    10.903  4.4955  14.307  4.3230  -3.404483      6.236821 
1 1 1 18  -32 8  o 22.416  3.0459  81.818    17.534    113.201   25.978    55.556    23.764    26.992  3.6898  17.839  4.8471  9.153013       6.091770 
1 1 1 18  -32 9  f 14.935  3.3457  36.433    16.258    58.896    24.025    17.453    22.083    18.381  4.8203  11.489  4.6412  6.892700       6.691432 
1 1 1 18  -32 10 o 30.243  2.7051  143.539   21.385    149.019   31.365    138.777   29.235    30.697  3.9029  29.789  3.7469  0.9083366      5.410296 
1 1 1 18  -32 11 o 14.402  3.4992  36.423    16.232    38.745    24.442    34.592    21.710    14.698  5.0914  14.106  4.8016  0.5920229      6.998417 
1 1 1 18  -32 12 o 9.2660  2.7724  4.6389    12.773    -14.3881  21.580    14.898    15.847    8.1052  3.8220  10.427  4.0171  -2.321538      5.544806 
1 1 1 18  -32 13 o 21.270  3.0722  76.127    17.356    117.737   25.663    41.057    23.560    27.495  3.5689  15.045  5.0016  12.44976       6.144351 
1 1 1 18  -32 14 o 11.602  2.9920  12.575    13.117    42.168    21.914    -3.9470   16.374    15.336  4.8005  7.8677  3.5727  7.468364       5.984029 
1 1 1 18  -32 15 o 28.091  2.9111  129.478   21.150    123.753   30.735    134.628   29.149    27.184  4.3691  28.997  3.8481  -1.812347      5.822099 
1 1 1 18  -32 16 o 13.584  3.2244  32.848    15.235    14.471    24.036    45.189    19.696    11.068  4.6876  16.101  4.4287  -5.032496      6.448795 
1 1 1 18  -32 17 o 16.018  3.1627  47.284    16.308    18.500    24.453    70.341    21.885    11.525  4.7940  20.511  4.1266  -8.985826      6.325475 
1 1 1 18  -32 18 o 13.621  3.2477  28.611    15.259    55.434    23.810    9.9170    19.877    17.257  4.9143  9.9850  4.2472  7.272145       6.495362 
1 1 1 18  -32 19 o 11.604  2.6818  9.5292    14.700    -46.8549  23.012    48.400    19.106    6.5311  3.2571  16.678  4.2614  -10.14650      5.363645 
1 1 1 18  -32 20 o 11.305  3.2348  18.370    14.957    27.658    23.796    12.303    19.231    12.484  4.8911  10.125  4.2349  2.359347       6.469680 
1 1 1 18  -32 21 o 8.8659  2.8282  1.0748    14.002    -3.2179   23.024    3.5943    17.638    8.9643  4.1323  8.7674  3.8623  0.1968498      5.656306 
1 1 1 18  -32 22 o 11.053  3.0024  11.948    15.979    -27.2533  24.657    40.331    20.980    7.6252  3.7179  14.482  4.7153  -6.856503      6.004706 
1 1 1 18  -32 23 o 16.272  3.7338  56.603    18.666    54.526    28.291    58.204    24.841    15.656  5.4745  16.889  5.0788  -1.233612      7.467538 
1 1 1 18  -32 24 o 10.222  3.1437  10.384    15.973    25.788    25.167    -0.0080   20.671    11.766  4.8763  8.6784  3.9690  3.087403       6.287370 
1 1 1 18  -32 25 o 18.568  3.7837  76.415    19.976    71.938    29.916    80.018    26.834    17.444  5.6265  19.691  5.0604  -2.246809      7.567385 
1 1 1 18  -32 26 o 20.234  5.6768  96.348    32.018    96.348    32.018    0.0000    0.0000    20.234  5.6768  ?       ?       ?              ?        
1 1 1 18  -32 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -32 28 o 9.2407  4.2024  9.6595    22.762    0.0000    0.0000    9.6595    22.762    ?       ?       9.2407  4.2024  ?              ?        
1 1 1 18  -32 29 o 6.3084  3.1667  -41.5190  23.457    -41.5190  23.457    0.0000    0.0000    6.3084  3.1667  ?       ?       ?              ?        
1 1 1 18  -31 0  o 9.8855  2.9021  8.2438    12.463    11.599    19.446    5.9050    16.236    10.551  4.3205  9.2200  3.8758  1.331108       5.804202 
1 1 1 18  -31 1  o 20.391  3.0293  66.333    16.018    79.589    23.722    55.225    21.715    22.444  4.0969  18.338  4.4633  4.106815       6.058541 
1 1 1 18  -31 2  o 20.075  3.0472  64.731    15.923    77.156    23.297    53.838    21.813    22.097  4.0867  18.052  4.5211  4.044502       6.094363 
1 1 1 18  -31 3  o 12.711  3.1648  23.214    13.729    36.713    20.986    13.115    18.152    14.824  4.7054  10.598  4.2337  4.226229       6.329671 
1 1 1 18  -31 4  o 8.1005  2.5951  -4.3095   11.800    -5.7814   19.331    -3.4354   14.898    8.4951  3.8669  7.7058  3.4619  0.7893443      5.190168 
1 1 1 18  -31 5  o 16.904  3.1322  46.198    14.707    62.978    21.933    32.488    19.825    19.754  4.2697  14.054  4.5840  5.700775       6.264495 
1 1 1 18  -31 6  o 11.185  3.0547  16.497    12.720    18.560    20.504    15.206    16.219    11.675  4.5494  10.694  4.0777  0.9804506      6.109425 
1 1 1 18  -31 7  o 25.780  2.6827  103.162   17.824    92.378    25.570    113.353   24.858    24.173  4.0955  27.388  3.4662  -3.215235      5.365366 
1 1 1 18  -31 8  o 14.750  3.1632  36.239    13.546    33.795    21.242    37.914    17.587    14.230  4.7500  15.270  4.1785  -1.040230      6.326328 
1 1 1 18  -31 9  o 23.686  2.9676  90.881    17.895    76.013    26.185    103.908   24.512    21.310  4.7126  26.062  3.6082  -4.751364      5.935239 
1 1 1 18  -31 10 o 18.860  3.0178  61.036    15.232    39.362    23.064    77.803    20.285    15.115  4.9450  22.604  3.4606  -7.489638      6.035607 
1 1 1 18  -31 11 o 5.1297  1.8055  -14.8083  6.7249    -30.7902  16.950    -11.8225  7.3261    6.0351  2.9711  4.2243  2.0522  1.810856       3.610929 
1 1 1 18  -31 12 o 16.368  3.2717  46.402    15.148    39.098    23.422    51.652    19.860    14.984  4.9872  17.752  4.2359  -2.767525      6.543312 
1 1 1 18  -31 13 o 17.740  3.3165  53.445    16.333    69.154    23.977    39.845    22.309    20.341  4.5182  15.139  4.8563  5.202895       6.633092 
1 1 1 18  -31 14 o 41.829  2.3306  263.481   25.861    278.620   36.669    248.500   36.477    43.168  3.1941  40.489  3.3948  2.678493       4.661222 
1 1 1 18  -31 15 o 18.250  3.1940  58.845    15.970    42.124    24.278    71.599    21.203    15.303  5.0768  21.197  3.8774  -5.894737      6.388059 
1 1 1 18  -31 16 o 19.907  3.2556  67.227    17.110    83.225    25.374    53.890    23.169    22.337  4.3977  17.477  4.8017  4.859659       6.511267 
1 1 1 18  -31 17 o 30.369  2.7158  146.767   21.527    140.526   30.998    152.581   29.918    29.513  4.0263  31.225  3.6458  -1.711950      5.431683 
1 1 1 18  -31 18 o 10.172  2.9101  11.968    12.823    1.1201    20.232    19.251    16.578    9.1457  4.0767  11.199  4.1539  -2.052969      5.820196 
1 1 1 18  -31 19 o 16.772  3.2988  49.067    15.733    67.037    23.732    34.975    21.015    19.564  4.6052  13.979  4.7243  5.585056       6.597503 
1 1 1 18  -31 20 o 20.574  3.2179  74.385    18.203    114.786   26.961    40.545    24.675    26.544  3.9092  14.605  5.1124  11.93892       6.435759 
1 1 1 18  -31 21 o 5.9503  2.0814  -31.4416  12.146    -44.9523  19.988    -23.5318  15.293    5.9827  2.9916  5.9178  2.8946  0.6492233E-01  4.162701 
1 1 1 18  -31 22 o 15.400  3.4997  44.378    16.422    56.826    25.113    35.077    21.707    17.095  5.0988  13.706  4.7952  3.388232       6.999461 
1 1 1 18  -31 23 o 17.296  3.5527  58.510    17.484    55.408    26.279    60.973    23.419    16.519  5.2677  18.073  4.7685  -1.554184      7.105468 
1 1 1 18  -31 24 o 22.149  3.4920  93.770    20.250    81.433    29.632    104.581   27.739    19.985  5.4053  24.313  4.4225  -4.328096      6.983936 
1 1 1 18  -31 25 o 10.063  3.1286  7.7768    16.248    21.275    25.150    -1.8925   21.286    11.423  4.8141  8.7017  3.9972  2.721744       6.257280 
1 1 1 18  -31 26 o 16.065  3.2334  45.926    17.713    92.070    26.925    10.715    23.520    22.073  4.6984  10.056  4.4435  12.01642       6.466792 
1 1 1 18  -31 27 o 27.319  3.2349  140.028   22.813    148.678   32.914    132.032   31.647    28.262  4.4988  26.375  4.6496  1.886824       6.469775 
1 1 1 18  -31 28 o 11.269  3.3185  22.979    17.503    7.2688    25.163    37.706    24.362    9.5938  4.3844  12.945  4.9826  -3.350974      6.636978 
1 1 1 18  -31 29 o 8.9344  4.1929  0.6061    25.428    0.6061    25.428    0.0000    0.0000    8.9344  4.1929  ?       ?       ?              ?        
1 1 1 18  -31 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -31 31 o 7.2717  3.5790  -20.4131  24.545    -20.4131  24.545    0.0000    0.0000    7.2717  3.5790  ?       ?       ?              ?        
1 1 1 18  -30 0  o 10.915  2.8638  13.607    12.419    -2.6680   18.443    27.108    16.798    8.6817  3.8794  13.148  4.2137  -4.466301      5.727562 
1 1 1 18  -30 1  o 29.344  2.4642  128.587   18.984    126.977   27.001    130.161   26.698    29.119  3.5342  29.570  3.4348  -0.4501591     4.928391 
1 1 1 18  -30 2  o 31.404  2.3626  145.664   19.507    159.425   28.045    132.764   27.153    32.955  3.2183  29.853  3.4599  3.101557       4.725237 
1 1 1 18  -30 3  o 9.0188  2.6326  3.9016    11.163    -10.4085  17.366    13.979    14.573    7.6681  3.5538  10.370  3.8851  -2.701478      5.265289 
1 1 1 18  -30 4  o 12.524  2.7511  22.827    12.222    -0.4985   18.780    39.964    16.097    9.0057  3.9754  16.042  3.8040  -7.036337      5.502161 
1 1 1 18  -30 5  o 9.0765  2.7280  3.5288    11.537    8.1324    17.476    -0.0280   15.361    9.8530  4.0718  8.3001  3.6317  1.552874       5.456072 
1 1 1 18  -30 6  o 8.1716  2.4473  3.3155    8.9415    0.5502    15.510    4.6920    10.943    8.4106  3.6654  7.9325  3.2438  0.4780483      4.894650 
1 1 1 18  -30 7  f 22.084  2.7424  75.096    15.550    72.752    22.993    77.071    21.109    21.575  4.1293  22.592  3.6099  -1.016813      5.484725 
1 1 1 18  -30 8  f 13.322  3.2276  27.099    13.866    33.370    20.901    22.168    18.532    14.377  4.7076  12.268  4.4170  2.109132       6.455293 
1 1 1 18  -30 9  f 8.2045  2.5634  -9.3882   11.258    11.546    18.610    -21.4704  14.138    10.529  4.2581  5.8799  2.8552  4.649231       5.126773 
1 1 1 18  -30 10 o 11.404  2.9892  17.972    12.450    9.8062    19.799    23.313    16.011    10.455  4.3284  12.354  4.1239  -1.899151      5.978400 
1 1 1 18  -30 11 o 11.157  3.0373  13.180    12.899    26.993    20.725    4.4467    16.480    13.190  4.6793  9.1235  3.8737  4.066927       6.074626 
1 1 1 18  -30 12 o 27.822  2.6121  116.921   18.877    132.978   27.588    102.786   25.885    29.766  3.5290  25.877  3.8520  3.888863       5.224112 
1 1 1 18  -30 13 o 15.629  3.3776  40.739    15.391    42.018    23.032    39.707    20.689    15.772  4.9189  15.486  4.6300  0.2856503      6.755171 
1 1 1 18  -30 14 o 32.729  2.4843  161.268   21.412    159.860   30.882    162.571   29.713    32.493  3.6093  32.965  3.4147  -0.4716034     4.968639 
1 1 1 18  -30 15 o 19.671  3.1731  63.233    16.311    68.974    24.186    58.442    22.092    20.477  4.5298  18.866  4.4448  1.610458       6.346267 
1 1 1 18  -30 16 o 16.354  3.2894  44.817    15.039    50.314    22.596    40.446    20.150    17.181  4.7508  15.527  4.5510  1.653973       6.578874 
1 1 1 18  -30 17 f 16.181  3.2089  41.432    15.955    71.356    24.155    18.275    21.249    20.754  4.4768  11.607  4.5984  9.146864       6.417713 
1 1 1 18  -30 18 o 17.240  3.2477  49.880    15.381    62.820    23.112    39.595    20.606    19.296  4.5465  15.185  4.6389  4.110731       6.495426 
1 1 1 18  -30 19 o 23.600  2.9649  90.877    18.015    89.685    26.247    91.939    24.772    23.270  4.3715  23.929  4.0066  -0.6586609     5.929808 
1 1 1 18  -30 20 o 21.150  3.2632  76.194    18.190    103.118   27.027    53.901    24.593    25.104  4.1654  17.195  5.0243  7.908537       6.526437 
1 1 1 18  -30 21 o 18.185  3.3117  57.433    16.406    74.137    24.714    44.274    21.936    20.704  4.5781  15.665  4.7865  5.039107       6.623376 
1 1 1 18  -30 22 o 14.459  3.4559  38.579    15.953    35.990    23.391    40.829    21.813    13.984  4.9700  14.935  4.8032  -0.9510345     6.911704 
1 1 1 18  -30 23 o 25.959  3.0149  113.152   20.087    133.792   29.592    95.515    27.355    28.501  3.9854  23.418  4.5248  5.082542       6.029728 
1 1 1 18  -30 24 o 24.310  3.1836  102.884   19.910    117.584   29.418    90.459    27.046    26.114  4.3596  22.507  4.6406  3.606886       6.367207 
1 1 1 18  -30 25 o 20.648  3.4505  79.300    18.722    86.002    27.873    73.790    25.272    21.362  4.9656  19.934  4.7924  1.428808       6.901081 
1 1 1 18  -30 26 o 14.565  3.4226  40.726    16.660    58.708    23.956    23.885    23.183    17.363  4.9242  11.768  4.7549  5.595379       6.845150 
1 1 1 18  -30 27 o 10.778  3.1445  11.246    15.930    36.467    23.965    -8.7198   21.322    13.415  4.9908  8.1413  3.8267  5.273723       6.289029 
1 1 1 18  -30 28 o 10.557  3.1401  14.614    16.259    -3.5457   24.570    28.759    21.685    8.9284  4.1678  12.186  4.6980  -3.257236      6.280275 
1 1 1 18  -30 29 o 8.1006  2.6543  -20.6130  14.823    18.660    22.220    -52.1062  19.898    10.651  4.5087  5.5503  2.8023  5.100498       5.308634 
1 1 1 18  -30 30 o 14.004  3.7008  47.761    19.171    37.540    27.617    57.267    26.634    12.579  5.1496  15.429  5.3165  -2.849713      7.401608 
1 1 1 18  -30 31 o 7.7511  3.7628  -15.8520  24.514    -15.8520  24.514    0.0000    0.0000    7.7511  3.7628  ?       ?       ?              ?        
1 1 1 18  -30 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -30 33 o 15.178  5.6526  76.946    30.758    76.946    30.758    0.0000    0.0000    15.178  5.6526  ?       ?       ?              ?        
1 1 1 18  -29 0  o 26.529  2.4775  104.291   17.161    102.916   24.591    105.596   23.960    26.299  3.5842  26.759  3.4213  -0.4592819     4.955011 
1 1 1 18  -29 1  o 14.833  3.1327  34.987    13.535    29.529    20.139    39.483    18.278    13.810  4.6250  15.857  4.2267  -2.047015      6.265408 
1 1 1 18  -29 2  o 18.447  2.7988  52.056    13.580    71.610    19.907    35.035    18.573    21.965  3.5013  14.929  4.3674  7.035676       5.597632 
1 1 1 18  -29 3  o 8.7008  2.3719  3.9788    9.4349    -17.9116  15.520    16.812    11.883    6.5918  3.1465  10.810  3.5501  -4.217848      4.743772 
1 1 1 18  -29 4  o 19.204  2.9318  57.311    14.646    50.246    21.180    63.785    20.274    17.854  4.4458  20.554  3.8233  -2.699905      5.863696 
1 1 1 18  -29 5  o 14.041  3.0667  30.513    12.951    23.393    18.932    36.775    17.754    12.698  4.4757  15.385  4.1936  -2.686296      6.133382 
1 1 1 18  -29 6  o 15.955  3.0731  39.708    13.485    42.776    19.614    36.958    18.571    16.522  4.3664  15.387  4.3256  1.134553       6.146267 
1 1 1 18  -29 7  o 6.7473  2.1821  -20.6817  8.8334    6.8954    15.351    -34.3328  10.801    9.3886  3.8409  4.1060  2.0721  5.282611       4.364197 
1 1 1 18  -29 8  o 18.798  2.9662  54.273    14.543    60.736    21.427    48.753    19.803    19.874  4.1588  17.722  4.2304  2.151924       5.932323 
1 1 1 18  -29 9  o 13.986  3.0229  27.545    12.831    44.808    20.048    15.567    16.699    16.897  4.3899  11.074  4.1569  5.823547       6.045743 
1 1 1 18  -29 10 o 24.270  2.7734  90.725    16.956    70.924    24.864    107.938   23.182    21.273  4.5041  27.267  3.2374  -5.994322      5.546823 
1 1 1 18  -29 11 o 14.771  3.1172  32.852    13.449    45.046    20.511    23.654    17.814    16.878  4.4672  12.663  4.3488  4.215065       6.234422 
1 1 1 18  -29 12 o 9.0105  2.6295  4.4871    10.812    -6.8075   17.110    11.996    13.951    8.0245  3.6470  9.9966  3.7890  -1.972148      5.259038 
1 1 1 18  -29 13 o 16.078  3.1841  41.456    14.308    37.304    21.379    44.824    19.257    15.265  4.7355  16.891  4.2578  -1.625251      6.368145 
1 1 1 18  -29 14 o 8.8037  2.6831  -0.8400   11.149    10.610    18.855    -6.9954   13.825    10.512  4.2736  7.0955  3.2454  3.416325       5.366187 
1 1 1 18  -29 15 o 20.191  2.9491  65.925    15.439    45.076    22.642    84.043    21.107    16.576  4.8144  23.806  3.4073  -7.230686      5.898139 
1 1 1 18  -29 16 o 11.813  3.1586  18.636    13.602    22.670    20.705    15.574    18.042    12.522  4.6428  11.103  4.2839  1.418575       6.317271 
1 1 1 18  -29 17 o 13.986  3.1142  29.150    13.802    46.667    20.677    15.074    18.535    16.930  4.4874  11.042  4.3192  5.888152       6.228337 
1 1 1 18  -29 18 o 18.857  3.1815  58.456    15.884    52.656    23.088    63.668    21.887    17.736  4.7605  19.979  4.2221  -2.243265      6.363020 
1 1 1 18  -29 19 o 20.984  3.1807  73.497    17.339    59.903    25.639    84.954    23.537    18.628  5.0235  23.341  3.9027  -4.712885      6.361356 
1 1 1 18  -29 20 o 22.516  3.0954  82.358    17.969    89.113    26.364    76.497    24.555    23.407  4.3658  21.625  4.3893  1.781570       6.190804 
1 1 1 18  -29 21 o 11.841  3.1981  20.771    14.291    15.437    21.500    24.991    19.127    11.180  4.5564  12.502  4.4888  -1.321499      6.396140 
1 1 1 18  -29 22 o 27.994  2.7732  124.032   20.039    145.509   29.405    105.410   27.382    30.532  3.6691  25.457  4.1594  5.075331       5.546465 
1 1 1 18  -29 23 o 12.640  3.1532  25.424    15.086    4.0319    23.073    41.397    19.938    9.8956  4.3854  15.384  4.5321  -5.488320      6.306468 
1 1 1 18  -29 24 o 39.730  2.4168  245.010   25.452    247.088   36.675    243.078   35.352    39.802  3.4749  39.657  3.3597  0.1450386      4.833518 
1 1 1 18  -29 25 o 12.092  3.3311  24.272    15.538    27.501    22.621    21.388    21.379    12.557  4.8090  11.628  4.6105  0.9289818      6.662108 
1 1 1 18  -29 26 o 12.565  3.0108  19.212    15.153    54.474    22.289    -11.0917  20.662    17.156  4.7080  7.9746  3.7541  9.181145       6.021513 
1 1 1 18  -29 27 o 16.498  3.5455  53.296    17.196    63.460    25.214    44.457    23.513    18.027  5.0307  14.969  4.9975  3.058193       7.090997 
1 1 1 18  -29 28 o 10.741  3.1670  15.158    15.844    2.0411    22.769    27.472    22.061    9.2804  4.2137  12.203  4.7290  -2.922177      6.333922 
1 1 1 18  -29 29 o 13.969  3.2365  34.698    17.275    1.4511    24.573    67.181    24.289    9.3751  4.3023  18.564  4.8365  -9.188617      6.473079 
1 1 1 18  -29 30 o 10.249  3.1732  13.528    16.669    10.034    24.557    16.513    22.700    9.9857  4.4683  10.513  4.5069  -0.5274296     6.346462 
1 1 1 18  -29 31 o 15.083  3.3634  46.266    18.132    82.365    26.425    14.145    24.926    19.957  4.9641  10.209  4.5396  9.747471       6.726788 
1 1 1 18  -29 32 o 7.5792  2.5875  -16.1473  16.029    -28.1530  23.137    -5.0667   22.227    6.9867  3.4457  8.1717  3.8611  -1.184961      5.175015 
1 1 1 18  -29 33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -29 34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -28 0  o 15.833  2.8917  37.708    12.653    51.218    18.659    26.207    17.215    18.422  3.9029  13.245  4.2678  5.177317       5.783303 
1 1 1 18  -28 1  o 19.811  2.8407  60.462    14.511    46.397    21.156    72.957    19.941    17.265  4.5213  22.356  3.4404  -5.090918      5.681413 
1 1 1 18  -28 2  o 32.777  2.2179  153.268   19.231    156.235   27.236    150.319   27.158    33.115  3.1070  32.440  3.1659  0.6742592      4.435772 
1 1 1 18  -28 3  o 15.738  2.8607  38.132    12.676    23.535    18.354    51.446    17.528    12.831  4.4138  18.645  3.6403  -5.814028      5.721334 
1 1 1 18  -28 4  o 14.125  3.1000  29.973    12.949    31.804    18.715    28.291    17.935    14.488  4.4200  13.763  4.3479  0.7250614      6.200016 
1 1 1 18  -28 5  o 36.275  2.2099  187.820   20.990    156.531   29.579    219.559   29.791    33.014  3.3932  39.536  2.8320  -6.521805      4.419738 
1 1 1 18  -28 6  o 32.306  2.2682  148.827   19.364    145.895   27.340    151.779   27.432    31.966  3.2378  32.646  3.1774  -0.6799736     4.536455 
1 1 1 18  -28 7  o 23.415  2.6912  81.338    15.786    111.628   22.976    54.252    21.727    27.993  3.1172  18.836  4.3879  9.156349       5.382476 
1 1 1 18  -28 8  o 10.212  2.8007  9.1317    11.819    -4.4262   18.040    19.328    15.644    8.6136  3.8438  11.810  4.0743  -3.196692      5.601314 
1 1 1 18  -28 9  o 22.328  3.4279  72.378    19.846    0.0000    0.0000    72.378    19.846    ?       ?       22.328  3.4279  ?              ?        
1 1 1 18  -28 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -28 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -28 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -28 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -28 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -28 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -28 16 f 32.082  4.1573  155.518   34.885    0.0000    0.0000    155.518   34.885    ?       ?       32.082  4.1573  ?              ?        
1 1 1 18  -28 17 o 28.418  3.4042  118.272   25.397    0.0000    0.0000    118.272   25.397    ?       ?       28.418  3.4042  ?              ?        
1 1 1 18  -28 18 o 9.2094  2.8284  1.3779    12.992    -3.8538   20.147    5.1019    16.998    9.0114  4.0387  9.4074  3.9607  -0.3959532     5.656729 
1 1 1 18  -28 19 o 34.594  2.3135  174.886   21.167    180.384   30.648    169.871   29.270    35.092  3.2993  34.096  3.2441  0.9965248      4.627070 
1 1 1 18  -28 20 o 20.191  3.0584  65.744    15.927    58.843    24.249    70.980    21.122    18.861  4.7907  21.521  3.8033  -2.659966      6.116854 
1 1 1 18  -28 21 o 12.410  2.9788  21.443    13.878    -2.1208   21.189    39.144    18.365    9.2673  4.1484  15.552  4.2759  -6.284713      5.957600 
1 1 1 18  -28 22 o 13.032  3.1908  23.932    14.356    42.678    21.925    9.8634    18.994    15.843  4.7731  10.220  4.2360  5.623438       6.381647 
1 1 1 18  -28 23 f 11.559  3.1607  18.720    14.318    9.4511    22.409    25.114    18.612    10.571  4.5035  12.546  4.4361  -1.974993      6.321382 
1 1 1 18  -28 24 o 28.892  2.6565  131.063   20.058    130.975   28.827    131.145   27.926    28.800  3.8321  28.984  3.6801  -0.1843491     5.312956 
1 1 1 18  -28 25 o 7.5483  2.4954  -14.0073  13.078    -29.7196  19.346    -0.7833   17.748    6.6072  3.2368  8.4895  3.7987  -1.882260      4.990703 
1 1 1 18  -28 26 o 7.6920  2.5539  -12.3265  13.191    -3.8863   20.183    -18.6203  17.428    8.5809  3.9235  6.8032  3.2704  1.777755       5.107757 
1 1 1 18  -28 27 o 9.9658  3.0215  9.6211    14.431    11.040    20.692    8.2768    20.137    10.165  4.3288  9.7669  4.2166  0.3978863      6.042997 
1 1 1 18  -28 28 o 8.0023  2.6560  -9.7855   14.437    -10.1774  20.673    -9.4124   20.170    8.0196  3.7690  7.9850  3.7432  0.3461933E-01  5.311953 
1 1 1 18  -28 29 o 7.8017  2.6047  -11.4096  14.334    -17.1206  21.004    -6.4311   19.610    7.5374  3.6146  8.0659  3.7512  -0.5284872     5.209327 
1 1 1 18  -28 30 o 9.5328  2.9199  3.1697    15.000    -17.2180  21.230    23.497    21.198    7.5245  3.6152  11.541  4.5863  -4.016560      5.839821 
1 1 1 18  -28 31 o 8.8660  2.8279  -3.0890   15.530    -27.2397  23.130    16.736    20.957    7.2419  3.5459  10.490  4.4062  -3.248239      5.655832 
1 1 1 18  -28 32 o 7.4799  2.5436  -16.9755  15.204    -29.4680  22.346    -6.2080   20.746    6.9142  3.4053  8.0456  3.7794  -1.131447      5.087269 
1 1 1 18  -28 33 o 5.3806  1.9267  -54.4246  13.925    -54.6487  20.435    -54.2303  19.027    5.5127  2.7889  5.2486  2.6591  0.2641373      3.853421 
1 1 1 18  -28 34 o 16.639  5.6470  76.290    30.028    76.290    30.028    0.0000    0.0000    16.639  5.6470  ?       ?       ?              ?        
1 1 1 18  -28 35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -27 0  o 36.201  2.1634  184.962   20.714    201.132   29.392    169.006   29.197    37.863  2.9207  34.538  3.1923  3.325130       4.326788 
1 1 1 18  -27 1  o 45.182  2.1164  286.991   25.288    325.508   35.945    249.243   35.584    48.336  2.7882  42.027  3.1847  6.308949       4.232790 
1 1 1 18  -27 2  o 50.025  2.0874  349.808   27.843    355.294   39.480    344.378   39.273    50.428  2.9356  49.622  2.9684  0.8059616      4.174831 
1 1 1 18  -27 3  o 8.0005  3.3999  1.3065    12.715    0.0000    0.0000    1.3065    12.715    ?       ?       8.0005  3.3999  ?              ?        
1 1 1 18  -27 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -27 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -27 6  o 21.821  3.8092  69.411    21.454    69.411    21.454    0.0000    0.0000    21.821  3.8092  ?       ?       ?              ?        
1 1 1 18  -27 7  o 23.140  2.6476  77.871    15.803    72.687    22.671    82.770    22.039    22.282  3.9430  23.999  3.5345  -1.717131      5.295212 
1 1 1 18  -27 8  o 25.880  2.4997  96.485    16.612    114.923   23.716    78.724    23.277    28.524  3.1572  23.237  3.8764  5.286673       4.999403 
1 1 1 18  -27 9  o 27.072  2.4611  104.984   17.389    98.947    24.796    110.825   24.392    26.222  3.6275  27.921  3.3271  -1.698324      4.922239 
1 1 1 18  -27 10 o 24.419  2.5798  85.998    16.337    91.857    23.563    80.575    22.670    25.263  3.5826  23.574  3.7131  1.688402       5.159640 
1 1 1 18  -27 11 o 37.843  2.1518  201.675   21.484    177.056   30.323    226.487   30.442    35.391  3.2345  40.294  2.8388  -4.902447      4.303609 
1 1 1 18  -27 12 o 8.6033  2.6379  -0.2591   11.127    -0.9064   17.169    0.2095    14.610    8.8572  3.8584  8.3495  3.5981  0.5077448      5.275741 
1 1 1 18  -27 13 o 54.074  2.1497  410.305   30.996    394.818   43.577    426.165   44.096    53.004  3.0828  55.144  2.9967  -2.140533      4.299309 
1 1 1 18  -27 14 o 13.319  2.7168  25.620    12.095    1.9876    18.523    43.186    15.969    9.5098  4.0738  17.128  3.5956  -7.617753      5.433617 
1 1 1 18  -27 15 o 34.651  2.2878  171.233   20.872    190.146   29.612    152.561   29.423    36.687  3.0408  32.614  3.4190  4.072731       4.575583 
1 1 1 18  -27 16 o 29.647  2.3132  125.946   18.054    122.753   25.644    129.085   25.421    29.234  3.3347  30.060  3.2067  -0.8264694     4.626359 
1 1 1 18  -27 17 o 38.595  2.2158  211.814   22.672    228.046   32.616    196.638   31.537    40.083  3.0610  37.107  3.2045  2.976563       4.431565 
1 1 1 18  -27 18 o 37.019  2.2486  196.863   21.970    180.416   31.483    212.475   30.673    35.357  3.3650  38.682  2.9835  -3.324772      4.497161 
1 1 1 18  -27 19 o 13.776  4.7124  28.575    20.912    28.575    20.912    0.0000    0.0000    13.776  4.7124  ?       ?       ?              ?        
1 1 1 18  -27 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -27 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -27 22 o 29.373  3.4219  127.861   26.417    0.0000    0.0000    127.861   26.417    ?       ?       29.373  3.4219  ?              ?        
1 1 1 18  -27 23 o 13.856  3.3038  31.022    14.607    27.513    21.626    33.966    19.808    13.275  4.7723  14.437  4.5702  -1.162419      6.607691 
1 1 1 18  -27 24 o 11.285  2.9664  15.569    13.515    -3.8616   20.641    30.150    17.880    8.9385  4.0397  13.631  4.3450  -4.692339      5.932800 
1 1 1 18  -27 25 o 9.5079  2.8441  3.9134    13.318    -10.4345  19.705    15.980    18.071    8.0870  3.7608  10.929  4.2676  -2.841640      5.688189 
1 1 1 18  -27 26 o 10.787  3.0563  11.831    14.469    -3.7322   20.559    27.105    20.367    8.7855  3.9948  12.788  4.6267  -4.002468      6.112629 
1 1 1 18  -27 27 o 11.280  3.1840  18.333    14.497    18.593    21.104    18.102    19.948    11.359  4.5552  11.202  4.4498  0.1569872      6.367918 
1 1 1 18  -27 28 o 8.8775  2.7273  -5.4459   13.498    19.500    19.642    -27.7673  18.580    11.271  4.4350  6.4842  3.1756  4.786601       5.454665 
1 1 1 18  -27 29 o 12.268  3.2650  24.142    15.456    40.565    22.557    9.6055    21.222    14.537  4.8946  9.9982  4.3225  4.538875       6.530006 
1 1 1 18  -27 30 o 10.425  3.0734  11.710    14.981    27.041    21.713    -2.2179   20.696    12.213  4.7031  8.6371  3.9579  3.575644       6.146896 
1 1 1 18  -27 31 o 21.504  3.4761  89.294    19.583    84.280    28.727    93.648    26.767    20.421  5.2293  22.587  4.5811  -2.166426      6.952112 
1 1 1 18  -27 32 o 10.023  2.9661  -2.4314   15.801    38.189    23.681    -35.0264  21.213    13.520  4.9740  6.5248  3.2326  6.995456       5.932139 
1 1 1 18  -27 33 o 6.1954  2.1843  -38.3792  14.526    -37.6999  21.293    -38.9706  19.867    6.3623  3.1665  6.0285  3.0097  0.3338251      4.368633 
1 1 1 18  -27 34 o 10.358  3.2145  16.470    17.662    4.5010    25.957    26.787    24.100    9.3426  4.3351  11.373  4.7474  -2.030170      6.428916 
1 1 1 18  -27 35 o 14.637  5.4424  59.380    28.491    59.380    28.491    0.0000    0.0000    14.637  5.4424  ?       ?       ?              ?        
1 1 1 18  -27 36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -26 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -26 1  o 30.131  5.1256  136.382   39.885    136.382   39.885    0.0000    0.0000    30.131  5.1256  ?       ?       ?              ?        
1 1 1 18  -26 2  o 51.681  2.0353  369.857   28.037    389.391   39.829    350.670   39.474    53.077  2.8116  50.286  2.9435  2.790436       4.070560 
1 1 1 18  -26 3  o 41.263  2.0312  236.121   22.274    222.014   31.511    250.208   31.489    39.980  2.9636  42.545  2.7785  -2.564842      4.062409 
1 1 1 18  -26 4  o 33.630  2.1213  157.884   18.796    176.221   26.645    139.721   26.519    35.670  2.8116  31.590  3.1772  4.079454       4.242618 
1 1 1 18  -26 5  o 34.291  2.1090  164.187   18.991    189.567   27.014    139.390   26.702    37.037  2.7426  31.546  3.2047  5.490995       4.218073 
1 1 1 18  -26 6  o 60.132  2.0606  498.927   33.180    487.382   46.995    510.403   46.853    59.415  2.9531  60.849  2.8747  -1.434830      4.121209 
1 1 1 18  -26 7  o 49.048  2.0604  332.931   26.945    331.905   37.908    333.979   38.309    48.977  2.9026  49.118  2.9251  -0.1409454     4.120796 
1 1 1 18  -26 8  o 45.373  2.0787  285.292   25.126    285.292   35.456    285.293   35.613    45.376  2.9329  45.369  2.9465  0.7053375E-02  4.157410 
1 1 1 18  -26 9  o 40.300  2.1250  225.712   22.769    220.621   32.096    230.869   32.305    39.827  3.0315  40.772  2.9787  -0.9449120     4.250013 
1 1 1 18  -26 10 o 8.5519  2.5763  0.7451    10.081    4.2126    16.457    -1.3374   12.754    9.4482  3.9318  7.6556  3.3303  1.792621       5.152616 
1 1 1 18  -26 11 o 43.888  2.0665  267.438   24.140    274.555   33.926    260.139   34.355    44.514  2.8606  43.262  2.9831  1.252068       4.132983 
1 1 1 18  -26 12 o 11.592  2.7084  17.936    10.550    5.8057    16.238    26.795    13.877    9.6217  3.9449  13.561  3.7121  -3.939768      5.416816 
1 1 1 18  -26 13 o 17.829  2.8498  46.900    13.262    47.021    19.494    46.795    18.094    17.806  4.1620  17.851  3.8939  -0.4476357E-01 5.699574 
1 1 1 18  -26 14 o 56.282  2.1144  441.103   31.743    423.761   44.700    458.746   45.086    55.128  3.0390  57.436  2.9405  -2.308155      4.228737 
1 1 1 18  -26 15 o 15.664  2.9222  36.881    12.569    30.106    18.429    42.773    17.185    14.302  4.3901  17.025  3.8579  -2.722951      5.844302 
1 1 1 18  -26 16 o 56.985  2.1227  453.896   32.285    453.251   45.781    454.534   45.536    56.936  3.0127  57.034  2.9912  -0.9775543E-01 4.245463 
1 1 1 18  -26 17 o 40.677  2.1963  234.019   23.595    207.903   33.571    259.513   33.169    38.282  3.3065  43.073  2.8918  -4.790646      4.392614 
1 1 1 18  -26 18 o 29.840  2.3162  128.189   17.933    108.380   25.699    146.990   25.036    27.369  3.5925  32.312  2.9245  -4.943657      4.632329 
1 1 1 18  -26 19 o 17.003  3.1567  44.061    14.537    50.051    21.660    39.152    19.609    18.026  4.5001  15.980  4.4282  2.045906       6.313436 
1 1 1 18  -26 20 o 33.693  2.2428  162.167   19.982    163.243   28.928    161.185   27.634    33.756  3.2392  33.630  3.1028  0.1257210      4.485542 
1 1 1 18  -26 21 o 39.189  2.1864  219.131   22.754    226.527   32.754    212.232   31.632    39.829  3.0945  38.550  3.0895  1.279507       4.372748 
1 1 1 18  -26 22 o 22.862  2.8523  79.261    16.810    85.502    24.298    73.531    23.281    23.794  3.9510  21.929  4.1149  1.865841       5.704622 
1 1 1 18  -26 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -26 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -26 25 o 16.820  3.3130  47.127    15.462    47.122    22.628    47.131    21.176    16.745  4.7984  16.895  4.5694  -0.1491814     6.626027 
1 1 1 18  -26 26 o 11.157  3.1267  15.810    14.003    11.660    20.399    19.509    19.258    10.638  4.3980  11.676  4.4454  -1.037818      6.253312 
1 1 1 18  -26 27 o 9.6256  2.8637  3.0828    13.386    19.491    19.559    -11.3743  18.360    11.570  4.4614  7.6813  3.5914  3.888570       5.727338 
1 1 1 18  -26 28 o 12.818  3.2152  26.975    14.532    15.241    20.833    38.095    20.280    10.925  4.4726  14.710  4.6203  -3.784945      6.430452 
1 1 1 18  -26 29 o 9.7852  2.9500  7.9733    13.709    14.721    20.094    2.0981    18.750    10.655  4.3808  8.9155  3.9520  1.739351       5.899954 
1 1 1 18  -26 30 o 11.140  3.1715  15.806    15.441    31.970    22.205    0.6717    21.486    13.154  4.8199  9.1264  4.1234  4.027464       6.343017 
1 1 1 18  -26 31 o 21.296  3.4190  86.193    19.321    67.218    27.653    104.292   27.007    18.105  5.3384  24.486  4.2732  -6.381409      6.838073 
1 1 1 18  -26 32 o 12.360  3.4160  28.287    16.954    17.122    24.311    38.857    23.654    10.900  4.6683  13.820  4.9882  -2.919606      6.831923 
1 1 1 18  -26 33 o 13.799  3.6009  39.994    18.069    52.552    25.989    28.244    25.138    15.515  5.2537  12.083  4.9258  3.432896       7.201722 
1 1 1 18  -26 34 o 18.068  3.8479  73.752    20.301    85.670    29.679    63.275    27.829    19.638  5.4500  16.498  5.4335  3.140764       7.695859 
1 1 1 18  -26 35 o 11.693  3.4993  29.787    18.963    35.843    27.421    24.236    26.252    12.307  5.0945  11.078  4.7985  1.228898       6.998507 
1 1 1 18  -26 36 o 12.476  5.2294  43.288    29.415    43.288    29.415    0.0000    0.0000    12.476  5.2294  ?       ?       ?              ?        
1 1 1 18  -26 37 o 14.102  6.8911  238.551   86.062    0.0000    0.0000    238.551   86.062    ?       ?       14.102  6.8911  ?              ?        
1 1 1 18  -25 0  o 76.914  2.2310  817.411   45.958    808.072   65.102    826.688   64.888    76.458  3.1790  77.369  3.1312  -0.9117050     4.462051 
1 1 1 18  -25 1  o 26.239  2.3008  96.457    15.818    99.652    22.682    93.432    22.070    26.672  3.2417  25.807  3.2660  0.8650589      4.601645 
1 1 1 18  -25 2  o 76.903  2.2020  815.524   45.343    797.475   64.419    833.246   63.834    76.024  3.1635  77.781  3.0640  -1.757172      4.404082 
1 1 1 18  -25 3  o 52.554  2.0118  379.992   28.163    407.656   40.047    352.924   39.613    54.496  2.7525  50.612  2.9347  3.884354       4.023547 
1 1 1 18  -25 4  o 40.565  2.0195  226.728   21.796    232.500   30.822    220.953   30.827    41.099  2.8169  40.031  2.8946  1.068153       4.039010 
1 1 1 18  -25 5  o 30.653  2.0890  130.204   16.928    125.400   23.976    134.979   23.903    30.063  3.0183  31.244  2.8889  -1.181253      4.178050 
1 1 1 18  -25 6  o 22.905  2.4005  74.060    14.255    79.463    20.267    68.770    20.052    23.789  3.2670  22.021  3.5181  1.768101       4.801060 
1 1 1 18  -25 7  o 22.176  2.5716  73.422    14.014    42.753    20.045    102.746   19.600    17.075  4.3657  27.277  2.7190  -10.20144      5.143181 
1 1 1 18  -25 8  o 54.740  2.0327  412.252   29.679    393.631   41.801    431.180   42.145    53.462  2.9303  56.018  2.8178  -2.556053      4.065310 
1 1 1 18  -25 9  o 20.587  2.7316  61.057    14.442    75.536    20.876    47.765    20.001    23.102  3.4818  18.073  4.2100  5.029371       5.463274 
1 1 1 18  -25 10 o 14.554  3.0408  30.733    12.837    24.716    18.865    35.921    17.517    13.420  4.4763  15.688  4.1170  -2.268059      6.081662 
1 1 1 18  -25 11 o 17.698  2.6604  46.603    12.382    28.789    17.759    63.456    17.273    14.160  4.3023  21.236  3.1305  -7.076118      5.320729 
1 1 1 18  -25 12 o 29.222  2.2437  119.395   17.254    112.685   24.357    126.153   24.445    28.353  3.2671  30.091  3.0762  -1.738195      4.487423 
1 1 1 18  -25 13 o 50.101  2.0339  346.537   27.176    346.488   38.125    346.588   38.748    50.110  2.8523  50.093  2.9003  0.1754379E-01  4.067866 
1 1 1 18  -25 14 f 27.428  2.3142  105.829   16.483    124.250   23.775    88.780    22.872    29.852  3.0147  25.003  3.5120  4.848917       4.628474 
1 1 1 18  -25 15 o 55.055  2.0427  419.010   30.037    400.478   42.455    437.582   42.502    53.758  2.9599  56.352  2.8159  -2.594074      4.085367 
1 1 1 18  -25 16 o 13.279  2.9462  23.136    12.109    37.164    18.536    12.693    15.993    15.835  4.2717  10.723  4.0587  5.112275       5.892405 
1 1 1 18  -25 17 o 32.087  2.1639  144.096   18.361    148.386   26.553    140.165   25.416    32.537  3.0837  31.637  3.0366  0.9001541      4.327822 
1 1 1 18  -25 18 o 28.199  2.3219  112.396   17.184    119.393   25.093    106.216   23.582    29.032  3.2847  27.367  3.2827  1.665663       4.643822 
1 1 1 18  -25 19 o 27.245  2.3697  106.189   16.847    98.355    24.191    113.567   23.477    26.158  3.5439  28.331  3.1469  -2.172861      4.739385 
1 1 1 18  -25 20 o 12.167  2.9777  19.780    12.346    10.136    18.227    27.955    16.782    10.591  4.2383  13.742  4.1839  -3.151578      5.955487 
1 1 1 18  -25 21 f 10.056  2.5801  -1.8484   11.631    29.863    17.342    -27.7755  15.680    14.108  4.2437  6.0046  2.9357  8.103676       5.160161 
1 1 1 18  -25 22 o 25.072  2.5163  92.150    16.327    85.525    23.653    98.180    22.566    24.056  3.7968  26.088  3.3033  -2.032131      5.032691 
1 1 1 18  -25 23 o 23.628  2.7504  85.133    16.426    66.327    23.843    102.124   22.663    20.685  4.4364  26.571  3.2522  -5.885321      5.500793 
1 1 1 18  -25 24 o 33.342  2.2912  161.290   20.160    154.739   28.955    167.455   28.087    32.581  3.3665  34.103  3.1090  -1.522358      4.582447 
1 1 1 18  -25 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -25 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -25 27 f 18.842  3.2034  58.752    15.979    55.876    22.951    61.456    22.259    18.264  4.6726  19.420  4.3833  -1.155674      6.406766 
1 1 1 18  -25 28 o 22.781  2.9579  84.608    17.261    71.941    24.849    96.420    23.995    20.670  4.6060  24.892  3.7124  -4.221928      5.915785 
1 1 1 18  -25 29 o 29.812  2.6775  140.842   20.826    135.999   30.157    145.256   28.795    29.095  3.9736  30.530  3.5899  -1.434374      5.355051 
1 1 1 18  -25 30 o 8.0643  2.6385  -10.9538  14.001    -26.1005  20.133    3.2329    19.485    6.9496  3.3821  9.1791  4.0507  -2.229520      5.277033 
1 1 1 18  -25 31 o 9.5541  2.9793  4.9254    14.982    10.684    21.372    -0.6392   21.009    10.172  4.3673  8.9358  4.0535  1.236563       5.958580 
1 1 1 18  -25 32 o 27.698  2.9903  132.380   21.475    134.464   30.792    130.407   29.966    27.866  4.2608  27.529  4.1967  0.3371944      5.980535 
1 1 1 18  -25 33 o 11.420  3.3351  21.580    16.751    15.265    23.888    27.689    23.495    10.668  4.5990  12.173  4.8313  -1.505886      6.670233 
1 1 1 18  -25 34 o 10.361  3.2266  12.975    17.410    15.531    24.779    10.482    24.468    10.622  4.6310  10.100  4.4940  0.5220556      6.453108 
1 1 1 18  -25 35 o 11.906  3.5144  28.024    18.924    40.095    27.663    17.406    25.945    13.157  5.2358  10.655  4.6894  2.501936       7.028796 
1 1 1 18  -25 36 o 10.128  3.2201  12.967    18.655    26.386    26.606    -0.0097   26.164    11.251  4.8521  9.0054  4.2348  2.245909       6.440236 
1 1 1 18  -25 37 o 11.434  5.0392  34.102    30.056    34.102    30.056    0.0000    0.0000    11.434  5.0392  ?       ?       ?              ?        
1 1 1 18  -25 38 o 9.5491  3.1814  14.380    22.139    -9.6297   34.615    31.001    28.800    8.5063  4.1987  10.592  4.7808  -2.085512      6.362755 
1 1 1 18  -24 0  o 12.111  2.6390  19.788    9.8301    11.395    13.850    28.308    13.954    10.186  3.7931  14.037  3.6701  -3.850827      5.278039 
1 1 1 18  -24 1  o 29.990  2.0568  124.114   16.312    125.201   23.296    123.069   22.847    30.115  2.9250  29.865  2.8924  0.2497902      4.113526 
1 1 1 18  -24 2  o 66.304  2.0643  601.703   36.641    584.518   52.108    618.510   51.533    65.339  2.9775  67.269  2.8601  -1.929802      4.128658 
1 1 1 18  -24 3  f 28.186  2.1372  110.211   15.649    132.404   22.546    89.582    21.737    31.039  2.7400  25.332  3.2807  5.707426       4.274379 
1 1 1 18  -24 4  o 48.331  1.9555  319.732   25.207    324.897   35.733    314.616   35.562    48.727  2.7491  47.935  2.7818  0.7916527      3.911006 
1 1 1 18  -24 5  o 47.391  1.9541  307.613   24.666    289.912   34.801    325.481   34.965    45.988  2.8391  48.794  2.6856  -2.806854      3.908127 
1 1 1 18  -24 6  f 15.198  2.8028  33.336    11.525    32.430    16.690    34.161    15.934    15.002  4.0564  15.394  3.8688  -0.3927546     5.605501 
1 1 1 18  -24 7  o 35.827  1.9872  176.506   18.889    184.796   26.550    168.007   26.881    36.713  2.7193  34.941  2.8984  1.772236       3.974326 
1 1 1 18  -24 8  o 58.722  2.0111  471.298   31.630    475.794   44.682    466.783   44.780    59.009  2.8270  58.434  2.8611  0.5755501      4.022144 
1 1 1 18  -24 9  o 35.470  2.0656  174.302   19.227    202.730   27.242    146.082   27.141    38.471  2.6600  32.470  3.1609  6.001152       4.131235 
1 1 1 18  -24 10 o 8.0067  2.3467  1.1558    8.7387    -9.1368   13.754    8.1226    11.316    7.0345  3.2247  8.9789  3.4102  -1.944373      4.693441 
1 1 1 18  -24 11 o 16.017  2.7780  37.702    12.015    27.878    17.541    46.386    16.491    14.015  4.2798  18.020  3.5429  -4.005559      5.555966 
1 1 1 18  -24 12 o 16.847  2.6821  41.378    11.867    33.478    17.091    48.734    16.491    15.197  4.1029  18.498  3.4554  -3.301046      5.364102 
1 1 1 18  -24 13 o 74.983  2.1935  773.895   44.052    767.565   62.356    780.202   62.244    74.667  3.1179  75.300  3.0861  -0.6329193     4.386950 
1 1 1 18  -24 14 o 17.232  2.6902  42.837    12.069    45.562    17.670    40.454    16.524    17.747  3.8297  16.717  3.7790  1.029390       5.380301 
1 1 1 18  -24 15 o 43.781  2.0137  264.183   23.478    273.176   33.438    255.439   32.974    44.531  2.8179  43.030  2.8775  1.501217       4.027482 
1 1 1 18  -24 16 o 19.988  2.6469  58.584    13.522    46.169    19.628    69.799    18.656    17.730  4.1980  22.246  3.2249  -4.515959      5.293715 
1 1 1 18  -24 17 o 21.625  2.5344  66.465    14.012    83.036    20.683    52.408    19.049    24.263  3.2655  18.988  3.8767  5.275043       5.068728 
1 1 1 18  -24 18 o 18.511  2.7308  50.299    13.052    46.434    19.352    53.524    17.679    17.741  4.1468  19.281  3.5542  -1.539309      5.461519 
1 1 1 18  -24 19 o 28.914  2.3138  120.535   17.007    92.230    24.586    146.502   23.549    25.331  3.7358  32.497  2.7309  -7.165464      4.627536 
1 1 1 18  -24 20 o 6.7951  2.2537  -13.4938  10.196    -12.2650  15.719    -14.3864  13.398    7.2521  3.3680  6.3380  2.9956  0.9140725      4.507414 
1 1 1 18  -24 21 o 32.629  2.1532  149.858   18.567    147.213   26.885    152.270   25.673    32.298  3.1477  32.959  2.9390  -0.6605339     4.306484 
1 1 1 18  -24 22 o 33.521  2.1888  158.963   19.386    155.756   28.150    161.856   26.735    33.129  3.2127  33.912  2.9734  -0.7823677     4.377514 
1 1 1 18  -24 23 o 38.310  2.1712  208.827   21.941    187.163   31.452    229.363   30.623    36.211  3.2784  40.409  2.8475  -4.198402      4.342326 
1 1 1 18  -24 24 o 12.389  2.9811  20.332    12.769    6.9117    18.183    33.390    17.936    10.012  4.1467  14.766  4.2840  -4.753801      5.962191 
1 1 1 18  -24 25 f 13.733  3.0216  25.753    13.615    46.678    20.128    8.1030    18.486    17.289  4.3500  10.177  4.1951  7.112424       6.043283 
1 1 1 18  -24 26 o 22.850  2.7628  79.283    16.290    80.437    23.555    78.224    22.553    22.969  3.9724  22.732  3.8410  0.2370834      5.525671 
1 1 1 18  -24 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -24 28 o 10.484  3.0689  10.195    14.088    14.022    20.555    6.8040    19.347    11.055  4.4736  9.9124  4.2022  1.142825       6.137754 
1 1 1 18  -24 29 o 14.014  3.3355  32.970    15.265    23.405    22.030    41.804    21.171    12.409  4.7473  15.620  4.6867  -3.211242      6.671004 
1 1 1 18  -24 30 o 11.328  3.2356  17.382    15.165    18.260    21.934    16.578    20.990    11.484  4.6303  11.171  4.5206  0.3133230      6.471193 
1 1 1 18  -24 31 o 12.257  3.3716  24.649    16.052    19.589    23.165    29.323    22.265    11.575  4.7249  12.939  4.8111  -1.363681      6.743256 
1 1 1 18  -24 32 o 17.188  3.5607  57.210    17.588    51.294    25.473    62.599    24.313    16.079  5.1926  18.297  4.8737  -2.217735      7.121488 
1 1 1 18  -24 33 o 13.209  3.5136  33.787    17.056    28.202    24.373    39.145    23.875    12.395  4.9202  14.023  5.0172  -1.628706      7.027139 
1 1 1 18  -24 34 o 13.533  3.5847  36.218    18.466    53.627    26.601    20.027    25.654    15.790  5.3153  11.276  4.8113  4.514104       7.169452 
1 1 1 18  -24 35 o 7.8205  2.6368  -12.9858  15.334    -10.2507  20.917    -16.1638  22.547    7.8790  3.7297  7.7620  3.7283  0.1170330      5.273600 
1 1 1 18  -24 36 o 9.8309  3.1788  5.6000    19.120    20.992    27.434    -8.9394   26.663    11.003  4.8328  8.6591  4.1307  2.343761       6.357558 
1 1 1 18  -24 37 o 17.321  4.0430  82.060    24.230    49.990    33.785    116.023   34.768    13.136  5.5601  21.507  5.8710  -8.371234      8.085938 
1 1 1 18  -24 38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -23 0  o 47.077  1.9444  302.906   24.372    282.369   34.308    323.828   34.628    45.432  2.8334  48.723  2.6635  -3.290546      3.888753 
1 1 1 18  -23 1  o 15.015  2.6585  32.277    10.669    33.926    15.295    30.715    14.891    15.385  3.7465  14.645  3.7728  0.7395821      5.316972 
1 1 1 18  -23 2  o 6.8150  2.0251  -6.5236   7.5686    -24.2410  11.243    8.1622    10.236    4.8708  2.4021  8.7593  3.2610  -3.888487      4.050242 
1 1 1 18  -23 3  o 32.696  1.9457  146.480   16.879    144.784   23.954    148.152   23.788    32.500  2.7785  32.892  2.7246  -0.3927078     3.891398 
1 1 1 18  -23 4  o 7.5635  2.2050  -0.8468   7.6200    8.9088    11.665    -8.1086   10.064    9.2525  3.4741  5.8744  2.7164  3.378170       4.409989 
1 1 1 18  -23 5  o 26.587  2.0504  97.874    14.270    107.846   20.009    87.551    20.358    28.038  2.6977  25.137  3.0886  2.900209       4.100830 
1 1 1 18  -23 6  o 27.168  2.1876  102.265   15.558    91.644    21.907    113.074   22.100    25.679  3.2584  28.657  2.9200  -2.978243      4.375294 
1 1 1 18  -23 7  o 31.826  2.0468  139.609   17.155    155.482   24.265    123.746   24.257    33.703  2.7109  29.948  3.0672  3.754923       4.093522 
1 1 1 18  -23 8  o 36.735  1.9946  184.983   19.462    191.362   27.436    178.523   27.611    37.394  2.7587  36.076  2.8814  1.318352       3.989127 
1 1 1 18  -23 9  o 41.181  1.9974  232.214   21.885    222.777   30.866    241.752   31.033    40.319  2.8770  42.042  2.7714  -1.723400      3.994719 
1 1 1 18  -23 10 o 31.577  2.0902  137.305   17.472    137.583   24.593    137.021   24.826    31.615  2.9379  31.539  2.9740  0.7578278E-01  4.180408 
1 1 1 18  -23 11 o 17.963  2.5877  45.906    12.018    50.214    17.513    42.072    16.523    18.787  3.6116  17.140  3.7069  1.646011       5.175369 
1 1 1 18  -23 12 o 50.662  1.9839  351.278   26.808    340.227   37.734    362.541   38.094    49.842  2.8382  51.481  2.7729  -1.638966      3.967885 
1 1 1 18  -23 13 o 26.468  2.2552  98.288    15.381    79.485    21.700    117.273   21.805    23.764  3.5153  29.172  2.8261  -5.407948      4.510391 
1 1 1 18  -23 14 o 33.854  2.0382  157.886   18.250    173.295   26.111    143.169   25.518    35.516  2.7667  32.191  2.9939  3.325272       4.076482 
1 1 1 18  -23 15 o 40.496  1.9881  225.345   21.426    232.234   30.518    218.650   30.087    41.118  2.7875  39.875  2.8355  1.243057       3.976203 
1 1 1 18  -23 16 o 20.094  2.5622  57.877    13.226    54.576    19.409    60.739    18.071    19.468  3.8586  20.720  3.3722  -1.251852      5.124448 
1 1 1 18  -23 17 o 42.508  2.0020  248.568   22.557    281.280   32.567    218.404   31.272    45.257  2.6988  39.759  2.9577  5.498436       4.003968 
1 1 1 18  -23 18 o 19.913  2.5629  56.933    13.136    55.360    19.149    58.332    18.054    19.591  3.7862  20.234  3.4553  -0.6429272     5.125883 
1 1 1 18  -23 19 o 41.866  2.0050  241.725   22.322    258.833   32.310    226.103   30.876    43.302  2.8008  40.430  2.8698  2.871914       4.010028 
1 1 1 18  -23 20 o 23.862  2.3479  80.517    14.463    94.537    20.980    67.819    19.966    25.959  3.0772  21.764  3.5471  4.195047       4.695877 
1 1 1 18  -23 21 o 13.103  2.9737  24.202    11.886    28.409    17.187    20.346    16.456    13.964  4.2303  12.241  4.1804  1.722318       5.947327 
1 1 1 18  -23 22 f 11.844  2.9699  18.372    11.803    18.756    16.904    18.006    16.487    11.941  4.2270  11.747  4.1728  0.1931667      5.939719 
1 1 1 18  -23 23 o 8.5597  2.5587  -2.4010   11.014    -16.5900  15.772    11.107    15.389    6.8613  3.2452  10.258  3.9568  -3.396752      5.117368 
1 1 1 18  -23 24 o 24.643  2.5648  90.086    15.901    67.188    22.770    111.881   22.215    21.171  4.1637  28.116  2.9961  -6.944225      5.129680 
1 1 1 18  -23 25 o 13.888  3.1375  28.732    13.171    32.422    19.420    25.589    17.923    14.585  4.5116  13.192  4.3613  1.392154       6.274947 
1 1 1 18  -23 26 o 26.398  2.5244  103.321   17.142    90.167    24.934    115.110   23.605    24.531  3.9273  28.265  3.1727  -3.734268      5.048751 
1 1 1 18  -23 27 o 19.665  3.0683  61.719    15.860    46.283    22.941    75.850    21.950    16.894  4.8283  22.436  3.7875  -5.541840      6.136603 
1 1 1 18  -23 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -23 29 o 20.141  3.7034  66.701    19.204    84.188    33.812    58.374    23.332    21.540  5.7521  18.741  4.6661  2.798988       7.406725 
1 1 1 18  -23 30 o 8.4808  2.7264  -5.0178   13.574    -8.2166   19.471    -1.9936   18.932    8.2371  3.7982  8.7245  3.9122  -0.4874191     5.452709 
1 1 1 18  -23 31 o 11.307  3.0546  11.937    14.889    37.004    21.510    -11.1230  20.631    14.469  4.7776  8.1443  3.8076  6.324487       6.109240 
1 1 1 18  -23 32 o 23.047  3.2892  92.964    19.602    101.226   28.144    85.180    27.317    24.252  4.4983  21.843  4.8001  2.408968       6.578475 
1 1 1 18  -23 33 f 15.070  3.6606  45.117    17.845    47.923    25.861    42.566    24.656    15.440  5.2406  14.699  5.1124  0.7412338      7.321246 
1 1 1 18  -23 34 o 9.9473  3.0872  4.5245    16.791    22.740    23.592    -14.1759  23.904    11.640  4.7616  8.2550  3.9306  3.384567       6.174321 
1 1 1 18  -23 35 o 11.763  3.4744  24.275    18.318    29.334    26.373    19.560    25.462    12.333  5.0386  11.193  4.7851  1.140042       6.948702 
1 1 1 18  -23 36 o 12.329  3.6571  31.567    20.400    34.798    28.979    28.393    28.723    12.671  5.2406  11.986  5.1023  0.6849594      7.314144 
1 1 1 18  -23 37 o 11.601  3.4687  21.331    21.596    52.641    28.983    -17.7552  32.383    14.421  5.4624  8.7801  4.2765  5.640883       6.937341 
1 1 1 18  -23 38 o 12.734  5.4369  47.269    32.794    47.269    32.794    0.0000    0.0000    12.734  5.4369  ?       ?       ?              ?        
1 1 1 18  -23 39 o 6.5523  3.1413  -9.5457   15.837    0.0000    0.0000    -9.5457   15.837    ?       ?       6.5523  3.1413  ?              ?        
1 1 1 18  -22 0  o 60.774  1.9974  502.316   32.500    486.643   46.052    517.868   45.872    59.813  2.8745  61.735  2.7741  -1.921810      3.994835 
1 1 1 18  -22 1  o 56.587  1.9713  435.035   29.878    435.025   42.319    435.046   42.190    56.586  2.7921  56.589  2.7834  -0.3871918E-02 3.942542 
1 1 1 18  -22 2  o 69.587  2.0607  658.641   38.403    648.991   54.474    668.176   54.146    69.069  2.9446  70.105  2.8836  -1.035805      4.121340 
1 1 1 18  -22 3  o 67.025  2.0193  610.485   36.221    643.880   51.543    577.905   50.911    68.857  2.7947  65.194  2.9155  3.662804       4.038640 
1 1 1 18  -22 4  o 65.245  2.0293  578.684   35.439    552.832   50.059    604.657   50.177    63.763  2.9311  66.727  2.8075  -2.963261      4.058687 
1 1 1 18  -22 5  o 59.557  1.9805  481.695   31.588    491.398   44.638    471.961   44.707    60.167  2.7699  58.947  2.8316  1.219749       3.961062 
1 1 1 18  -22 6  o 20.910  2.3574  61.273    12.710    55.089    18.023    67.393    17.928    19.785  3.5304  22.035  3.1251  -2.250179      4.714886 
1 1 1 18  -22 7  o 45.242  1.9264  278.767   23.231    281.628   32.642    275.830   33.069    45.487  2.6911  44.997  2.7571  0.4901848      3.852750 
1 1 1 18  -22 8  o 27.419  2.1909  104.037   15.708    115.391   22.160    92.570    22.270    28.997  2.8918  25.842  3.2921  3.154375       4.381803 
1 1 1 18  -22 9  o 22.330  2.3833  69.637    13.759    77.268    19.679    62.340    19.246    23.595  3.1961  21.065  3.5362  2.529644       4.766554 
1 1 1 18  -22 10 o 34.474  1.9903  162.762   18.138    145.050   25.424    181.120   25.884    32.514  2.9515  36.434  2.6710  -3.920071      3.980636 
1 1 1 18  -22 11 o 42.489  1.9393  246.258   21.948    240.464   30.758    252.268   31.328    41.975  2.7510  43.002  2.7341  -1.026676      3.878555 
1 1 1 18  -22 12 o 15.306  2.6932  33.963    11.223    24.195    16.273    42.826    15.500    13.230  4.1360  17.383  3.4506  -4.153822      5.386414 
1 1 1 18  -22 13 o 37.770  1.9263  195.226   19.319    181.333   27.243    209.278   27.399    36.384  2.8174  39.157  2.6276  -2.772690      3.852567 
1 1 1 18  -22 14 o 51.759  1.9667  366.171   27.156    359.638   38.673    372.525   38.142    51.286  2.8262  52.233  2.7358  -0.9469528     3.933444 
1 1 1 18  -22 15 o 31.271  2.0245  134.878   16.723    127.239   23.994    142.095   23.320    30.364  2.9889  32.178  2.7316  -1.813971      4.049063 
1 1 1 18  -22 16 o 26.678  2.1924  99.468    15.244    91.022    22.247    106.944   20.930    25.517  3.3348  27.839  2.8470  -2.322056      4.384785 
1 1 1 18  -22 17 o 22.278  2.4000  69.552    13.820    78.052    20.312    62.225    18.859    23.590  3.3055  20.965  3.4804  2.624632       4.799914 
1 1 1 18  -22 18 o 14.760  2.9000  31.448    11.847    32.449    17.507    30.602    16.089    14.968  4.1972  14.551  4.0028  0.4167156      5.799909 
1 1 1 18  -22 19 o 18.885  2.6534  52.713    12.882    37.524    18.684    66.479    17.786    16.017  4.2752  21.753  3.1439  -5.736193      5.306740 
1 1 1 18  -22 20 f 21.517  2.6432  68.830    14.264    46.664    20.699    88.878    19.685    17.788  4.3747  25.245  2.9678  -7.456831      5.286390 
1 1 1 18  -22 21 o 37.385  1.9848  193.135   19.718    198.146   28.493    188.529   27.316    37.842  2.8316  36.928  2.7821  0.9138031      3.969666 
1 1 1 18  -22 22 o 8.3880  2.4647  -2.9171   10.405    -20.4457  15.273    12.264    14.213    6.4371  3.0857  10.339  3.8440  -3.901739      4.929337 
1 1 1 18  -22 23 o 12.056  2.8685  18.818    11.742    6.8787    17.089    29.497    16.161    9.9477  4.0591  14.164  4.0541  -4.215966      5.736933 
1 1 1 18  -22 24 o 11.844  2.9772  18.115    12.150    11.379    17.798    23.994    16.628    10.746  4.2239  12.941  4.1970  -2.194192      5.954497 
1 1 1 18  -22 25 o 20.250  2.8379  62.517    14.798    42.761    21.171    81.387    20.691    16.703  4.5904  23.797  3.3380  -7.094219      5.675720 
1 1 1 18  -22 26 o 10.033  2.7231  5.7047    11.618    22.749    16.646    -10.4860  16.223    12.565  4.2048  7.5002  3.4614  5.064593       5.446252 
1 1 1 18  -22 27 o 32.050  2.3004  148.075   19.451    148.031   28.159    148.116   26.899    31.988  3.3357  32.111  3.1688  -0.1238213     4.600885 
1 1 1 18  -22 28 o 13.468  2.5150  12.667    13.682    62.613    20.203    -29.6432  18.595    20.308  3.8552  6.6275  3.2308  13.68004       5.029994 
1 1 1 18  -22 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -22 30 o 9.1058  2.9201  -4.0326   14.952    -6.9098   24.885    -2.4070   18.705    9.4959  4.3473  8.7158  3.8999  0.7801867      5.840215 
1 1 1 18  -22 31 o 8.8197  2.7629  -6.6721   13.933    12.839    19.979    -25.1451  19.441    10.675  4.3762  6.9643  3.3738  3.710835       5.525725 
1 1 1 18  -22 32 o 18.086  3.6190  59.920    18.439    70.575    27.003    50.609    25.241    19.687  5.0851  16.485  5.1507  3.201363       7.237908 
1 1 1 18  -22 33 o 10.774  3.2674  12.547    16.942    8.3341    23.771    16.896    24.153    10.285  4.5085  11.262  4.7304  -0.9769115     6.534766 
1 1 1 18  -22 34 o 11.493  3.0755  9.5950    16.503    -27.4084  23.261    47.097    23.417    7.4266  3.6189  15.560  4.9737  -8.133372      6.150936 
1 1 1 18  -22 35 f 8.6923  2.8635  -9.5151   16.789    6.9962    23.637    -26.3284  23.852    9.8635  4.4008  7.5212  3.6649  2.342263       5.726969 
1 1 1 18  -22 36 o 14.828  3.4262  34.073    15.100    77.696    29.030    17.893    17.679    19.101  5.4219  10.556  4.1904  8.545156       6.852443 
1 1 1 18  -22 37 o 14.411  3.5810  43.455    16.101    53.130    30.851    39.834    18.876    14.577  5.6082  14.245  4.4547  0.3318491      7.162095 
1 1 1 18  -22 38 o 10.252  3.1971  10.792    14.717    38.639    30.002    1.9685    16.889    12.451  5.2532  8.0529  3.6455  4.398272       6.394189 
1 1 1 18  -22 39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 0  o 39.448  1.8761  211.619   19.707    211.102   27.713    212.147   28.030    39.402  2.6412  39.495  2.6653  -0.9250641E-01 3.752297 
1 1 1 18  -21 1  o 29.221  1.9660  116.700   15.202    116.602   21.580    116.797   21.417    29.206  2.7927  29.236  2.7680  -0.3000641E-01 3.932016 
1 1 1 18  -21 2  o 103.346 2.4588  1456.41   68.039    1423.90   96.647    1488.35   95.803    102.174 3.5315  104.518 3.4221  -2.344566      4.917588 
1 1 1 18  -21 3  o 60.582  1.9857  497.165   32.220    495.083   45.651    499.232   45.483    60.453  2.8193  60.711  2.7970  -0.2581902     3.971325 
1 1 1 18  -21 4  o 106.194 3.0009  1561.30   81.150    1508.37   136.536   1590.21   100.907   104.358 4.8847  108.030 3.4873  -3.672813      6.001754 
1 1 1 18  -21 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 15 o 43.929  2.3360  262.870   25.681    273.584   44.871    257.651   31.317    44.398  3.8101  43.460  2.7037  0.9386520      4.671940 
1 1 1 18  -21 16 o 28.976  2.0530  116.056   15.631    109.440   22.841    121.884   21.438    28.140  3.0808  29.812  2.7144  -1.672586      4.106020 
1 1 1 18  -21 17 o 60.622  1.9920  501.315   32.336    501.071   46.257    501.549   45.219    60.594  2.8501  60.649  2.7836  -0.5501556E-01 3.983912 
1 1 1 18  -21 18 o 56.025  1.9507  428.978   29.207    427.003   41.928    430.841   40.710    55.846  2.8120  56.204  2.7043  -0.3578682     3.901307 
1 1 1 18  -21 19 o 36.563  2.0305  185.920   19.474    157.979   28.009    212.065   27.094    33.767  3.1325  39.358  2.5844  -5.591610      4.060985 
1 1 1 18  -21 20 o 36.249  1.9798  180.727   19.049    193.551   27.451    168.818   26.454    37.512  2.7514  34.987  2.8476  2.524952       3.959682 
1 1 1 18  -21 21 o 32.832  2.0527  149.037   17.812    164.352   25.661    134.798   24.743    34.506  2.8006  31.159  3.0019  3.347511       4.105396 
1 1 1 18  -21 22 o 12.771  2.8495  23.013    10.969    19.657    16.058    25.948    15.019    12.120  4.1295  13.421  3.9277  -1.301763      5.699089 
1 1 1 18  -21 23 o 19.080  2.7147  52.748    13.406    71.222    19.704    36.828    18.292    22.371  3.3951  15.789  4.2370  6.581449       5.429385 
1 1 1 18  -21 24 o 31.865  2.1972  142.224   18.495    147.626   26.919    137.395   25.455    32.427  3.1386  31.302  3.0758  1.124483       4.394406 
1 1 1 18  -21 25 o 14.330  3.0412  30.365    12.596    30.974    18.246    29.810    17.409    14.458  4.3538  14.203  4.2473  0.2552471      6.082423 
1 1 1 18  -21 26 o 9.6139  2.6966  0.9285    11.928    20.512    17.021    -17.9691  16.721    12.218  4.2478  7.0101  3.3231  5.207589       5.393231 
1 1 1 18  -21 27 o 12.309  3.1078  20.135    13.292    12.355    19.017    27.565    18.585    10.992  4.3516  13.625  4.4381  -2.632604      6.215577 
1 1 1 18  -21 28 o 17.503  3.0347  49.742    15.491    21.223    23.002    73.411    20.955    12.743  4.8567  22.263  3.6400  -9.519688      6.069362 
1 1 1 18  -21 29 o 14.450  3.0953  30.607    15.070    6.2169    21.618    53.665    21.018    10.421  4.4308  18.480  4.3233  -8.058940      6.190555 
1 1 1 18  -21 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 31 o 7.5479  2.5239  -16.2234  13.492    -18.6805  18.996    -13.7223  19.165    7.3391  3.4971  7.7567  3.6402  -0.4175549     5.047810 
1 1 1 18  -21 32 o 16.699  2.9499  43.609    17.809    -7.7303   25.541    92.181    24.843    9.3810  4.3343  24.018  4.0027  -14.63655      5.899778 
1 1 1 18  -21 33 o 21.776  3.6003  87.069    20.762    74.476    29.883    98.820    28.866    19.669  5.4724  23.883  4.6797  -4.214417      7.200503 
1 1 1 18  -21 34 o 7.6503  2.4261  -2.6086   10.746    -32.0822  22.175    6.4368    12.285    7.0214  3.4450  8.2791  3.4171  -1.257722      4.852216 
1 1 1 18  -21 35 o 6.8804  2.3029  -8.7596   10.254    -22.3891  20.955    -4.4679   11.759    7.2411  3.5066  6.5197  2.9861  0.7213840      4.605719 
1 1 1 18  -21 36 o 14.671  3.3440  38.842    13.952    52.039    25.806    33.391    16.584    15.734  5.2348  13.609  4.1625  2.125135       6.687993 
1 1 1 18  -21 37 o 9.1343  2.8116  7.9394    12.644    -12.4335  27.490    13.406    14.240    8.7316  4.1734  9.5370  3.7687  -0.8053389     5.623159 
1 1 1 18  -21 38 o 10.906  3.2940  16.842    14.896    38.303    30.035    9.8406    17.154    12.698  5.3002  9.1137  3.9128  3.584469       6.588005 
1 1 1 18  -21 39 o ?       ?       -75.4502  21.352    -75.4502  21.352    0.0000    0.0000    ?       ?       ?       ?       ?              ?        
1 1 1 18  -21 40 o 10.735  3.2233  28.459    16.928    9.9113    39.171    32.718    18.771    9.6448  4.6990  11.825  4.4134  -2.179938      6.446597 
1 1 1 18  -20 0  o 61.858  1.9612  517.529   32.482    501.445   45.993    533.534   45.879    60.889  2.8201  62.827  2.7263  -1.938168      3.922480 
1 1 1 18  -20 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -20 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -20 3  f 81.831  2.1628  906.638   47.390    882.860   67.172    930.201   66.868    80.749  3.1057  82.913  3.0110  -2.163864      4.325676 
1 1 1 18  -20 4  o 54.941  1.8881  408.307   27.696    432.967   39.216    383.767   39.120    56.646  2.5846  53.235  2.7529  3.411411       3.776107 
1 1 1 18  -20 5  o 37.039  1.8861  186.133   18.583    186.600   26.071    185.651   26.495    37.091  2.6415  36.987  2.6929  0.1043243      3.772195 
1 1 1 18  -20 6  o 38.427  1.9148  200.331   19.580    198.610   27.468    202.110   27.919    38.261  2.6976  38.594  2.7181  -0.3335457     3.829506 
1 1 1 18  -20 7  o 45.919  1.9036  285.738   23.279    267.280   32.717    304.664   33.130    44.397  2.7650  47.440  2.6174  -3.043179      3.807298 
1 1 1 18  -20 8  o 43.008  1.9457  251.113   22.163    217.969   30.925    286.118   31.781    40.045  2.9028  45.971  2.5916  -5.925556      3.891389 
1 1 1 18  -20 9  o 68.018  2.0323  625.682   37.020    611.250   52.124    640.372   52.589    67.222  2.8949  68.814  2.8532  -1.592522      4.064609 
1 1 1 18  -20 10 o 85.204  2.2391  984.854   51.051    934.200   72.076    1035.85   72.320    82.978  3.2429  87.429  3.0883  -4.450516      4.478165 
1 1 1 18  -20 11 f 49.273  1.8976  329.161   24.949    326.642   35.292    331.678   35.275    49.082  2.6948  49.465  2.6723  -0.3830681     3.795198 
1 1 1 18  -20 12 o 55.870  1.9471  423.599   29.018    393.180   41.103    453.826   40.972    53.806  2.8623  57.934  2.6404  -4.127975      3.894194 
1 1 1 18  -20 13 o 15.132  2.6239  32.096    10.689    41.624    15.681    23.825    14.610    17.171  3.5274  13.093  3.8854  4.077982       5.247776 
1 1 1 18  -20 14 o 86.899  2.2531  1027.55   52.439    1025.92   74.502    1029.16   73.822    86.823  3.2037  86.975  3.1688  -0.1519394     4.506102 
1 1 1 18  -20 15 o 16.463  2.6585  38.790    11.463    35.362    16.755    41.806    15.718    15.739  3.9739  17.186  3.5325  -1.447393      5.316973 
1 1 1 18  -20 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -20 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -20 18 o 12.829  2.8703  22.440    11.037    25.296    16.333    20.040    14.972    13.457  4.1332  12.201  3.9839  1.255863       5.740617 
1 1 1 18  -20 19 o 22.100  2.2905  68.245    13.140    72.908    18.968    63.942    18.220    22.854  3.1852  21.347  3.2925  1.507088       4.581073 
1 1 1 18  -20 20 o 46.027  1.9180  289.805   23.510    310.559   33.778    270.302   32.743    47.649  2.6572  44.405  2.7667  3.244461       3.836032 
1 1 1 18  -20 21 o 24.862  2.3513  89.398    14.607    64.612    21.187    111.854   20.166    21.228  3.8688  28.496  2.6734  -7.268101      4.702589 
1 1 1 18  -20 22 o 14.467  2.8938  29.809    11.815    37.131    17.441    23.601    16.060    15.953  4.0689  12.981  4.1158  2.971400       5.787605 
1 1 1 18  -20 23 o 52.284  2.0171  376.781   28.131    389.654   40.345    364.602   39.243    53.160  2.8437  51.409  2.8613  1.751301       4.034099 
1 1 1 18  -20 24 o 24.902  2.3698  87.512    15.377    92.363    22.586    83.322    20.995    25.540  3.3851  24.265  3.3173  1.275177       4.739550 
1 1 1 18  -20 25 o 60.732  2.1187  512.187   34.385    536.219   49.149    489.148   48.122    62.194  2.9504  59.270  3.0415  2.923588       4.237377 
1 1 1 18  -20 26 o 21.454  2.8107  67.669    15.423    89.204    22.541    48.712    21.149    24.943  3.4677  17.965  4.4244  6.978107       5.621411 
1 1 1 18  -20 27 o 7.2102  2.3903  -15.2871  11.658    -10.2521  16.885    -19.8729  16.115    7.7353  3.5558  6.6852  3.1953  1.050018       4.780558 
1 1 1 18  -20 28 o 13.783  3.2046  27.021    14.658    12.224    20.982    41.127    20.486    11.270  4.5342  16.295  4.5299  -5.025198      6.409270 
1 1 1 18  -20 29 o 19.989  3.1821  62.232    16.677    73.484    24.282    52.184    22.945    21.850  4.3021  18.128  4.6899  3.721743       6.364264 
1 1 1 18  -20 30 o 17.507  3.3848  50.267    16.584    40.567    23.927    59.235    23.006    15.750  5.0269  19.263  4.5341  -3.513629      6.769653 
1 1 1 18  -20 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -20 32 o 20.372  3.7423  72.945    20.709    60.444    27.986    88.075    30.789    18.308  5.3625  22.435  5.2215  -4.127377      7.484695 
1 1 1 18  -20 33 o 12.528  2.6612  3.6981    11.306    62.376    22.712    -15.6348  13.037    19.150  4.5034  5.9068  2.8366  13.24346       5.322350 
1 1 1 18  -20 34 o 32.629  2.4688  160.145   20.362    190.461   35.006    144.644   25.032    34.359  3.8712  30.899  3.0650  3.459871       4.937603 
1 1 1 18  -20 35 o 10.041  3.0299  10.347    13.148    13.606    25.247    9.1346    15.401    10.876  4.7082  9.2059  3.8149  1.669694       6.059783 
1 1 1 18  -20 36 o 23.252  3.2272  91.945    18.294    115.434   32.759    81.300    22.052    24.498  5.1557  22.007  3.8831  2.490589       6.454408 
1 1 1 18  -20 37 o 15.293  3.3816  49.105    16.016    36.237    30.344    54.073    18.856    13.087  5.3823  17.499  4.0955  -4.411917      6.763291 
1 1 1 18  -20 38 o 20.225  3.5518  85.074    18.435    82.837    33.858    86.016    21.979    18.119  5.9945  22.331  3.8114  -4.211931      7.103587 
1 1 1 18  -20 39 o 15.076  3.6919  49.614    16.927    71.977    31.311    40.381    20.120    16.390  5.7577  13.762  4.6227  2.628021       7.383829 
1 1 1 18  -20 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -19 0  o 89.987  2.2398  1095.65   53.952    1056.77   76.567    1133.99   76.035    88.382  3.2344  91.592  3.0993  -3.209969      4.479623 
1 1 1 18  -19 1  o 96.284  2.3428  1255.01   60.383    1211.69   85.718    1297.67   85.073    94.613  3.3825  97.954  3.2425  -3.341179      4.685596 
1 1 1 18  -19 2  o 59.798  1.9177  482.081   30.711    493.205   43.585    471.110   43.281    60.486  2.6902  59.110  2.7337  1.376675       3.835427 
1 1 1 18  -19 3  o 82.496  2.1509  919.099   47.521    905.754   67.379    932.307   67.032    81.894  3.0717  83.099  3.0116  -1.205238      4.301796 
1 1 1 18  -19 4  o 111.857 2.5454  1695.28   76.244    1658.63   108.091   1731.57   107.561   110.637 3.6475  113.078 3.5513  -2.440697      5.090818 
1 1 1 18  -19 5  o 63.535  1.9715  544.668   33.496    506.325   47.159    583.705   47.585    61.264  2.8739  65.807  2.6996  -4.543106      3.943015 
1 1 1 18  -19 6  o 116.257 2.6042  1832.13   81.085    1811.09   114.991   1852.94   114.356   115.581 3.7144  116.933 3.6512  -1.351753      5.208444 
1 1 1 18  -19 7  o 59.075  2.0025  471.388   31.604    446.111   44.442    497.249   44.951    57.426  2.8987  60.724  2.7637  -3.298233      4.005062 
1 1 1 18  -19 8  o 77.021  2.1151  801.171   43.616    772.387   61.506    830.286   61.859    75.620  3.0367  78.422  2.9449  -2.802925      4.230126 
1 1 1 18  -19 9  o 57.186  1.9293  441.082   29.549    434.368   41.630    447.900   41.950    56.746  2.7389  57.627  2.7178  -0.8802834     3.858524 
1 1 1 18  -19 10 f 86.093  2.2140  1002.50   51.051    991.127   72.357    1013.77   72.039    85.600  3.1559  86.586  3.1062  -0.9857788     4.428092 
1 1 1 18  -19 11 f 19.492  2.3016  52.928    11.563    48.549    16.459    57.195    16.248    18.641  3.4226  20.342  3.0782  -1.701241      4.603202 
1 1 1 18  -19 12 o 65.875  2.0109  586.994   35.436    554.666   50.211    619.075   50.018    64.048  2.9269  67.701  2.7583  -3.652702      4.021808 
1 1 1 18  -19 13 o 48.222  1.8920  315.039   24.334    315.497   34.844    314.603   33.999    48.250  2.7071  48.194  2.6439  0.5552292E-01  3.783949 
1 1 1 18  -19 14 o 41.135  1.8741  229.415   20.450    258.350   29.468    202.536   28.402    43.669  2.5302  38.601  2.7653  5.067436       3.748171 
1 1 1 18  -19 15 o 11.046  2.6425  13.832    9.7532    23.805    14.478    5.5444    13.197    13.086  3.8639  9.0071  3.6057  4.078641       5.284986 
1 1 1 18  -19 16 o 55.142  1.9183  412.535   28.261    407.908   40.638    416.869   39.329    54.793  2.7780  55.491  2.6461  -0.6973801     3.836577 
1 1 1 18  -19 17 o 30.935  1.9464  130.506   15.931    141.426   23.102    120.605   21.997    32.186  2.7048  29.684  2.7997  2.501795       3.892868 
1 1 1 18  -19 18 o 47.080  3.7900  306.687   47.388    306.687   47.388    0.0000    0.0000    47.080  3.7900  ?       ?       ?              ?        
1 1 1 18  -19 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -19 20 o 25.768  2.1598  93.185    14.379    80.400    21.042    104.386   19.695    23.974  3.3698  27.562  2.7026  -3.587326      4.319677 
1 1 1 18  -19 21 o 37.442  1.9436  191.885   19.324    207.563   28.014    177.655   26.689    38.919  2.7041  35.965  2.7925  2.954498       3.887173 
1 1 1 18  -19 22 o 66.967  2.0913  615.206   37.508    617.941   53.429    612.548   52.669    67.106  2.9725  66.829  2.9424  0.2772446      4.182556 
1 1 1 18  -19 23 o 29.258  2.2645  120.993   17.155    102.348   24.908    137.819   23.662    26.934  3.5383  31.581  2.8272  -4.647331      4.529096 
1 1 1 18  -19 24 o 14.714  2.9666  31.540    12.262    31.799    17.436    31.286    17.246    14.770  4.2053  14.657  4.1855  0.1121702      5.933186 
1 1 1 18  -19 25 o 28.830  2.2671  116.646   17.202    120.072   24.808    113.474   23.874    29.235  3.2215  28.425  3.1907  0.8103905      4.534180 
1 1 1 18  -19 26 o 18.607  3.0534  51.794    14.940    47.563    21.491    55.751    20.785    17.792  4.5052  19.423  4.1227  -1.631424      6.106836 
1 1 1 18  -19 27 f 13.894  3.1861  27.036    14.239    14.764    20.120    39.347    20.153    11.652  4.5160  16.135  4.4957  -4.483159      6.372257 
1 1 1 18  -19 28 o 25.289  2.8357  94.664    18.510    91.906    26.970    97.121    25.450    24.819  4.2074  25.759  3.8030  -0.9403133     5.671414 
1 1 1 18  -19 29 o 44.958  2.3263  289.405   27.806    293.395   40.037    285.687   38.647    45.224  3.3286  44.692  3.2508  0.5324135      4.652675 
1 1 1 18  -19 30 o 18.447  3.4324  54.445    17.351    66.286    25.347    44.002    23.803    20.397  4.7312  16.496  4.9740  3.900721       6.864751 
1 1 1 18  -19 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -19 32 o 18.745  3.1448  63.957    15.710    37.075    27.821    76.543    19.036    14.813  5.4000  22.677  3.2248  -7.864256      6.289668 
1 1 1 18  -19 33 o 13.715  3.0432  33.168    13.340    14.211    24.861    40.832    15.808    11.402  4.7947  16.027  3.7490  -4.625544      6.086423 
1 1 1 18  -19 34 o 27.178  2.8165  117.649   18.732    123.938   32.265    114.452   23.006    26.918  4.6427  27.438  3.1900  -0.5197468     5.632988 
1 1 1 18  -19 35 o 14.446  2.8420  40.661    13.321    9.3324    24.988    53.101    15.746    10.508  4.6139  18.384  3.3198  -7.876624      5.684048 
1 1 1 18  -19 36 o 27.219  2.8830  120.349   19.115    139.380   33.891    111.469   23.149    27.841  4.7129  26.597  3.3219  1.243742       5.765980 
1 1 1 18  -19 37 o 8.2123  2.6190  0.9816    11.478    -10.5832  23.089    4.7778    13.229    8.3417  3.9395  8.0829  3.4521  0.2587643      5.238047 
1 1 1 18  -19 38 f 12.155  3.3956  28.002    15.506    28.753    30.347    27.737    18.039    12.133  5.2064  12.177  4.3606  -0.4461861E-01 6.791273 
1 1 1 18  -19 39 o 7.1634  2.4576  -12.3330  12.553    -30.5477  28.218    -7.8386   14.017    7.7465  3.8174  6.5804  3.0961  1.166097       4.915125 
1 1 1 18  -19 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -18 0  o 24.756  1.9535  83.538    12.710    77.704    17.778    89.639    18.179    23.849  2.8388  25.663  2.6844  -1.814314      3.906963 
1 1 1 18  -18 1  o 37.630  1.8081  191.579   18.098    199.286   25.462    183.708   25.730    38.408  2.4884  36.851  2.6238  1.556576       3.616140 
1 1 1 18  -18 2  f 67.460  1.9929  612.974   36.009    611.627   51.028    614.309   50.821    67.385  2.8272  67.535  2.8095  -0.1500244     3.985734 
1 1 1 18  -18 3  o 143.348 3.0081  2787.62   115.487   2759.48   163.846   2815.40   162.804   142.614 4.2893  144.082 4.2186  -1.468124      6.016184 
1 1 1 18  -18 4  o 166.512 3.3877  3773.71   151.082   3739.90   214.217   3807.17   213.112   165.751 4.8251  167.273 4.7566  -1.522354      6.775439 
1 1 1 18  -18 5  o 88.171  2.2289  1049.59   52.545    976.406   74.236    1123.07   74.385    85.066  3.2581  91.275  3.0426  -6.209038      4.457889 
1 1 1 18  -18 6  o 62.027  1.9636  518.073   32.623    513.405   45.906    522.834   46.368    61.745  2.7758  62.309  2.7783  -0.5641174     3.927299 
1 1 1 18  -18 7  o 23.158  2.3055  74.384    13.492    53.827    18.669    96.854    19.519    19.639  3.6844  26.676  2.7723  -7.036638      4.610935 
1 1 1 18  -18 8  o 43.183  1.8693  251.848   21.503    239.716   30.075    264.536   30.756    42.110  2.6804  44.255  2.6062  -2.145302      3.738536 
1 1 1 18  -18 9  o 52.498  1.9022  372.044   26.645    346.118   37.587    398.233   37.778    50.609  2.7835  54.388  2.5933  -3.778675      3.804367 
1 1 1 18  -18 10 o 51.776  1.8885  361.682   26.132    351.820   36.976    371.524   36.938    51.029  2.7150  52.522  2.6257  -1.492485      3.776946 
1 1 1 18  -18 11 o 35.177  1.8959  167.665   17.727    170.282   25.319    165.149   24.828    35.447  2.6866  34.908  2.6758  0.5397873      3.791839 
1 1 1 18  -18 12 o 56.534  1.9039  430.808   28.827    440.023   41.096    421.883   40.446    57.130  2.6856  55.938  2.6995  1.191891       3.807873 
1 1 1 18  -18 13 o 41.935  1.8626  237.959   20.809    241.561   29.870    234.562   29.006    42.241  2.6535  41.629  2.6147  0.6122513      3.725280 
1 1 1 18  -18 14 o 37.914  1.8597  195.078   18.739    189.966   27.022    199.814   26.010    37.418  2.7146  38.410  2.5425  -0.9923325     3.719378 
1 1 1 18  -18 15 o 52.655  1.8830  375.086   26.494    368.518   37.881    381.375   37.070    52.159  2.7209  53.151  2.6039  -0.9916306     3.766066 
1 1 1 18  -18 16 o 40.187  1.8824  219.989   20.065    201.228   28.682    237.971   28.081    38.467  2.8031  41.908  2.5133  -3.440586      3.764795 
1 1 1 18  -18 17 o 46.672  1.8587  295.572   23.132    295.051   33.189    296.065   32.259    46.623  2.6688  46.721  2.5879  -0.9878540E-01 3.717426 
1 1 1 18  -18 18 o 32.719  1.9152  145.798   16.384    179.606   23.920    115.920   22.487    36.360  2.4708  29.078  2.9269  7.281410       3.830340 
1 1 1 18  -18 19 o 16.430  2.5326  37.936    10.875    48.518    16.089    29.036    14.755    18.575  3.3574  14.286  3.7927  4.288730       5.065252 
1 1 1 18  -18 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -18 21 o 18.512  3.0820  49.722    14.297    48.352    25.324    50.363    17.321    18.189  5.0293  18.835  3.5639  -0.6458244     6.164067 
1 1 1 18  -18 22 o 12.340  2.9040  20.431    11.238    18.790    16.630    21.809    15.247    12.097  4.1991  12.583  4.0124  -0.4862156     5.807967 
1 1 1 18  -18 23 o 30.498  2.1796  129.486   17.486    121.479   25.264    136.850   24.227    29.524  3.2485  31.473  2.9068  -1.948996      4.359189 
1 1 1 18  -18 24 o 41.704  2.0769  241.654   22.874    214.242   32.849    267.458   31.871    39.291  3.1478  44.118  2.7101  -4.827271      4.153709 
1 1 1 18  -18 25 o 9.6405  2.7956  5.5648    11.539    6.3971    16.199    4.7077    16.440    9.7415  3.9609  9.5396  3.9464  0.2019157      5.591284 
1 1 1 18  -18 26 o 28.229  2.4248  113.201   17.858    107.406   26.088    118.310   24.497    27.444  3.6387  29.013  3.2059  -1.568590      4.849526 
1 1 1 18  -18 27 o 35.505  2.3153  177.970   21.718    173.011   31.476    182.476   30.004    34.958  3.4049  36.053  3.1384  -1.094654      4.630636 
1 1 1 18  -18 28 o 55.995  2.2296  440.563   33.243    477.502   47.820    406.020   46.244    58.338  3.0712  53.651  3.2331  4.686787       4.459279 
1 1 1 18  -18 29 o 28.059  2.2949  109.881   16.269    123.243   27.601    102.768   20.139    29.133  3.6148  26.986  2.8282  2.146872       4.589728 
1 1 1 18  -18 30 o 34.591  2.2373  168.396   19.805    184.122   33.012    159.553   24.755    35.577  3.5100  33.604  2.7752  1.973171       4.474568 
1 1 1 18  -18 31 o 11.962  3.0359  20.368    11.957    15.975    22.030    22.202    14.236    11.749  4.6733  12.175  3.8766  -0.4260979     6.071899 
1 1 1 18  -18 32 o 31.756  3.8019  153.107   31.696    0.0000    0.0000    153.107   31.696    ?       ?       31.756  3.8019  ?              ?        
1 1 1 18  -18 33 o 21.902  2.9742  77.263    15.932    75.644    27.375    78.092    19.592    21.031  4.9431  22.773  3.3088  -1.742615      5.948307 
1 1 1 18  -18 34 o 8.7583  2.7480  -3.2981   10.957    14.872    22.618    -8.8697   12.525    11.142  4.6207  6.3744  2.9756  4.767817       5.495941 
1 1 1 18  -18 35 o 7.8543  2.5252  -3.0056   11.317    -21.6141  22.520    3.2818    13.090    7.7216  3.7133  7.9870  3.4232  -0.2654071     5.050414 
1 1 1 18  -18 36 o 15.662  3.2035  49.213    15.651    25.064    28.411    59.735    18.753    12.308  5.1477  19.016  3.8145  -6.707707      6.406932 
1 1 1 18  -18 37 o 10.412  3.0893  13.118    13.282    20.633    25.206    10.230    15.627    11.496  4.8307  9.3270  3.8521  2.169070       6.178579 
1 1 1 18  -18 38 o 13.556  3.4972  34.872    15.310    45.350    29.223    30.908    17.974    14.228  5.4619  12.884  4.3690  1.344234       6.994344 
1 1 1 18  -18 39 o 12.830  3.4980  29.144    15.427    56.023    29.863    19.359    18.018    15.058  5.5772  10.602  4.2235  4.456081       6.995960 
1 1 1 18  -18 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -17 0  o 85.186  2.1654  978.211   49.355    929.444   69.961    1026.53   69.637    83.057  3.1448  87.314  2.9776  -4.257103      4.330811 
1 1 1 18  -17 1  o 10.679  2.5728  13.830    8.9685    9.4390    12.677    18.229    12.689    9.6806  3.6243  11.677  3.6526  -1.996016      5.145573 
1 1 1 18  -17 2  o 100.095 2.3539  1350.74   63.096    1325.84   89.541    1375.29   88.923    99.171  3.3709  101.020 3.2864  -1.848907      4.707821 
1 1 1 18  -17 3  o 88.741  2.2080  1060.55   52.481    1072.04   74.424    1049.19   74.017    89.220  3.1143  88.262  3.1309  0.9585953      4.416057 
1 1 1 18  -17 4  o 93.162  2.2692  1169.48   56.608    1137.01   80.076    1201.92   80.035    91.861  3.2545  94.463  3.1632  -2.601578      4.538455 
1 1 1 18  -17 5  o 211.909 4.1658  6134.75   236.445   6164.25   335.051   6105.49   333.719   212.418 5.8889  211.400 5.8937  1.018280       8.331525 
1 1 1 18  -17 6  o 98.901  2.3642  1320.57   62.486    1218.38   88.383    1422.69   88.353    95.045  3.4718  102.757 3.2101  -7.712624      4.728424 
1 1 1 18  -17 7  o 46.075  1.8642  286.334   22.905    277.912   32.100    295.070   32.693    45.381  2.6524  46.770  2.6203  -1.388702      3.728417 
1 1 1 18  -17 8  o 63.311  1.9564  539.383   33.175    533.403   46.903    545.369   46.931    62.959  2.7813  63.664  2.7522  -0.7054520     3.912833 
1 1 1 18  -17 9  o 61.571  1.9464  510.441   32.081    491.589   45.456    529.149   45.283    60.432  2.8083  62.710  2.6959  -2.278690      3.892869 
1 1 1 18  -17 10 o 68.648  2.0206  634.591   37.152    638.369   52.854    630.901   52.232    68.849  2.8661  68.447  2.8490  0.4016342      4.041242 
1 1 1 18  -17 11 o 19.209  2.4139  51.551    11.751    72.249    17.216    33.494    16.080    22.985  2.8580  15.433  3.8909  7.551955       4.827743 
1 1 1 18  -17 12 o 87.291  2.2234  1028.27   51.891    1111.20   74.113    948.524   72.678    90.763  3.0486  83.819  3.2372  6.944511       4.446744 
1 1 1 18  -17 13 o 33.983  1.9241  158.126   17.177    137.914   24.907    176.459   23.721    31.841  2.9541  36.124  2.4663  -4.283382      3.848271 
1 1 1 18  -17 14 o 52.230  1.8586  368.379   25.934    358.503   37.054    377.864   36.310    51.500  2.6956  52.960  2.5597  -1.460255      3.717283 
1 1 1 18  -17 15 o 61.970  1.9339  518.175   32.094    516.711   45.788    519.590   44.998    61.879  2.7626  62.061  2.7070  -0.1814842     3.867814 
1 1 1 18  -17 16 o 76.150  2.0883  784.086   42.592    787.518   60.565    780.729   59.910    76.313  2.9630  75.988  2.9435  0.3248520      4.176565 
1 1 1 18  -17 17 o 11.918  2.6831  18.993    9.7378    15.336    14.133    22.300    13.436    11.155  3.8711  12.680  3.7162  -1.525293      5.366123 
1 1 1 18  -17 18 f 22.721  2.4529  77.261    13.353    42.014    19.436    108.765   18.375    17.165  4.2500  28.276  2.4504  -11.11123      4.905842 
1 1 1 18  -17 19 o 24.987  2.2239  88.532    14.036    67.288    20.463    107.411   19.290    21.919  3.6112  28.055  2.5965  -6.135460      4.447799 
1 1 1 18  -17 20 o 40.540  1.9285  223.825   20.801    228.236   30.160    219.825   28.725    40.911  2.7687  40.169  2.6853  0.7428398      3.856978 
1 1 1 18  -17 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -17 22 o 65.690  2.0702  589.160   36.420    595.385   52.039    583.185   50.987    66.023  2.9427  65.356  2.9126  0.6670151      4.140379 
1 1 1 18  -17 23 o 32.455  2.0996  145.095   18.029    151.015   26.279    139.832   24.780    33.074  2.9991  31.836  2.9392  1.238686       4.199212 
1 1 1 18  -17 24 o 24.231  2.4136  82.324    15.200    88.425    22.351    77.074    20.733    25.076  3.4166  23.386  3.4102  1.689598       4.827286 
1 1 1 18  -17 25 o 45.279  2.1357  283.367   25.742    289.063   37.061    278.057   35.783    45.708  3.0445  44.849  2.9960  0.8595352      4.271414 
1 1 1 18  -17 26 o 41.160  2.1768  234.615   23.642    275.008   34.536    198.990   32.433    44.579  2.9083  37.741  3.2398  6.837311       4.353659 
1 1 1 18  -17 27 o 25.923  2.2813  94.111    14.916    97.767    24.768    92.031    18.684    26.144  3.6354  25.702  2.7571  0.4415493      4.562626 
1 1 1 18  -17 28 o 28.722  2.1943  108.984   16.051    149.845   27.185    87.119    19.887    32.609  3.1518  24.835  3.0539  7.773796       4.388668 
1 1 1 18  -17 29 o 11.031  2.8198  15.760    10.936    4.3568    19.619    20.901    13.173    10.041  4.2429  12.021  3.7152  -1.979365      5.639610 
1 1 1 18  -17 30 o 25.413  2.6503  98.558    16.036    84.256    27.482    105.942   19.746    23.412  4.5464  27.414  2.7252  -4.002275      5.300590 
1 1 1 18  -17 31 o 8.7953  2.4960  5.2857    9.8263    -17.1838  18.849    13.671    11.515    7.5564  3.5659  10.034  3.4935  -2.477760      4.992001 
1 1 1 18  -17 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -17 33 o 16.770  3.1826  41.892    14.013    63.768    24.835    31.675    16.973    19.504  4.7891  14.036  4.1930  5.468208       6.365294 
1 1 1 18  -17 34 o 8.7938  2.6110  2.7296    11.691    -28.0591  22.397    14.261    13.707    7.4408  3.6086  10.147  3.7745  -2.705996      5.221990 
1 1 1 18  -17 35 o 15.045  3.2622  40.225    13.913    37.379    26.255    41.337    16.406    14.230  5.2370  15.860  3.8914  -1.630123      6.524494 
1 1 1 18  -17 36 o 10.323  2.9454  8.3074    11.553    30.402    22.459    0.3574    13.472    13.019  4.8338  7.6271  3.3669  5.392352       5.890810 
1 1 1 18  -17 37 o 8.8813  2.6437  5.8250    11.697    -20.8194  22.896    15.234    13.606    7.7250  3.7220  10.038  3.7553  -2.312571      5.287348 
1 1 1 18  -17 38 o 13.151  3.4744  32.048    15.353    39.982    29.111    28.990    18.071    13.704  5.3971  12.597  4.3770  1.107117       6.948850 
1 1 1 18  -17 39 o 19.146  3.7133  78.334    18.964    80.548    35.701    77.464    22.383    17.509  6.1483  20.784  4.1658  -3.274868      7.426652 
1 1 1 18  -17 40 o 8.8770  4.2178  -4.2476   27.238    -4.2476   27.238    0.0000    0.0000    8.8770  4.2178  ?       ?       ?              ?        
1 1 1 18  -17 41 o 8.3614  2.7125  2.2648    14.898    -31.7154  29.269    14.147    17.308    7.4774  3.7200  9.2454  3.9487  -1.768068      5.424988 
1 1 1 18  -16 0  o 51.183  1.8273  352.487   25.005    346.327   35.351    358.654   35.372    50.700  2.6121  51.666  2.5561  -0.9658585     3.654632 
1 1 1 18  -16 1  o 22.800  1.9976  70.972    11.892    64.019    16.638    78.234    17.004    21.621  2.9500  23.978  2.6941  -2.357046      3.995135 
1 1 1 18  -16 2  o 124.997 2.7281  2107.42   91.330    2087.27   129.548   2127.33   128.776   124.396 3.8881  125.598 3.8279  -1.201729      5.456196 
1 1 1 18  -16 3  o 57.356  1.8595  442.162   28.555    455.417   40.295    428.791   40.471    58.223  2.5838  56.489  2.6748  1.733978       3.718951 
1 1 1 18  -16 4  o 37.396  1.8654  188.838   18.559    189.051   25.927    188.614   26.578    37.422  2.6028  37.371  2.6728  0.5154037E-01  3.730776 
1 1 1 18  -16 5  o 133.751 2.8661  2415.00   102.658   2364.78   145.440   2464.85   144.921   132.352 4.1026  135.149 4.0034  -2.796936      5.732262 
1 1 1 18  -16 6  o 64.757  1.9426  563.626   33.691    551.132   47.438    576.343   47.857    64.031  2.7659  65.483  2.7286  -1.451408      3.885278 
1 1 1 18  -16 7  o 11.806  2.5672  18.519    9.2070    11.702    13.320    24.755    12.740    10.294  3.7390  13.318  3.5188  -3.023702      5.134384 
1 1 1 18  -16 8  o 75.683  2.0724  770.905   41.989    748.672   59.673    792.709   59.095    74.595  2.9866  76.771  2.8738  -2.175636      4.144729 
1 1 1 18  -16 9  o 75.664  2.0957  770.216   42.467    786.538   60.540    754.404   59.586    76.454  2.9564  74.874  2.9712  1.579811       4.191401 
1 1 1 18  -16 10 o 113.016 2.5624  1723.36   77.564    1735.84   110.352   1711.17   109.044   113.418 3.6325  112.613 3.6151  0.8046646      5.124888 
1 1 1 18  -16 11 o 107.809 2.4783  1568.03   71.556    1604.44   101.847   1532.54   100.555   109.048 3.4869  106.569 3.5228  2.479530       4.956676 
1 1 1 18  -16 12 o 112.335 2.5385  1704.15   76.364    1755.54   108.626   1653.93   107.375   114.018 3.5569  110.652 3.6229  3.366081       5.077063 
1 1 1 18  -16 13 o 38.193  1.8658  197.152   18.959    199.884   27.341    194.620   26.313    38.444  2.6718  37.941  2.6050  0.5028534      3.731581 
1 1 1 18  -16 14 o 60.275  1.9159  489.278   30.928    492.467   44.135    486.202   43.352    60.465  2.7251  60.084  2.6938  0.3819160      3.831832 
1 1 1 18  -16 15 o 56.283  1.9180  428.253   28.803    404.017   41.148    451.538   40.332    54.668  2.8198  57.898  2.6007  -3.230190      3.835988 
1 1 1 18  -16 16 f 32.524  1.9004  144.278   16.319    132.755   23.589    154.855   22.600    31.237  2.8509  33.811  2.5135  -2.574070      3.800709 
1 1 1 18  -16 17 o 56.548  1.9008  431.476   28.783    435.590   41.229    427.564   40.201    56.807  2.7096  56.289  2.6664  0.5188637      3.801555 
1 1 1 18  -16 18 o 27.989  2.0192  106.895   14.911    109.748   21.665    104.326   20.554    28.339  2.8948  27.638  2.8158  0.7010365      4.038386 
1 1 1 18  -16 19 o 79.580  2.1631  859.429   46.092    843.172   65.604    875.277   64.773    78.820  3.1075  80.339  3.0101  -1.519371      4.326297 
1 1 1 18  -16 20 o 53.647  1.9662  391.102   28.164    380.225   40.428    401.358   39.257    52.864  2.8659  54.430  2.6927  -1.566750      3.932423 
1 1 1 18  -16 21 f 33.308  2.0555  152.280   18.096    146.939   26.333    157.060   24.910    32.715  3.0399  33.901  2.7675  -1.185955      4.110947 
1 1 1 18  -16 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -16 23 o 23.603  2.5316  78.924    15.389    70.919    22.248    86.268    21.308    22.337  3.8581  24.869  3.2788  -2.532330      5.063164 
1 1 1 18  -16 24 o 58.869  2.0985  475.453   33.027    478.349   47.265    472.689   46.168    58.994  3.0010  58.744  2.9342  0.2502022      4.197089 
1 1 1 18  -16 25 o 17.507  2.6254  47.908    11.459    31.867    19.517    56.347    14.156    14.881  4.5078  20.132  2.6927  -5.251502      5.250782 
1 1 1 18  -16 26 o 38.307  1.9686  192.962   19.575    256.720   31.947    154.637   24.769    43.162  2.7782  33.453  2.7898  9.709229       3.937123 
1 1 1 18  -16 27 o 20.487  2.5434  55.275    12.910    81.006    22.534    42.704    15.750    23.788  3.6534  17.185  3.5396  6.603151       5.086886 
1 1 1 18  -16 28 o 30.338  2.1607  125.890   16.803    142.537   27.943    116.461   21.031    31.752  3.3354  28.923  2.7477  2.828850       4.321386 
1 1 1 18  -16 29 o 13.484  2.7036  28.844    11.474    5.5059    20.068    40.180    13.986    10.311  4.3203  16.657  3.2515  -6.346030      5.407157 
1 1 1 18  -16 30 o 14.476  2.9392  31.916    11.636    28.711    20.579    33.422    14.108    13.947  4.6751  15.005  3.5634  -1.058228      5.878330 
1 1 1 18  -16 31 o 12.712  3.0475  23.536    11.907    21.680    21.400    24.368    14.331    12.664  4.7152  12.759  3.8622  -0.9474850E-01 6.095040 
1 1 1 18  -16 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -16 33 o 7.2568  2.4120  -10.9048  10.360    -8.0852   20.099    -11.9249  12.089    8.5003  3.8972  6.0132  2.8431  2.487107       4.824039 
1 1 1 18  -16 34 o 16.302  3.2757  43.715    14.207    49.300    25.647    41.242    17.064    16.613  5.1921  15.992  3.9953  0.6212893      6.551373 
1 1 1 18  -16 35 o 11.233  3.0764  18.524    13.357    6.0243    25.024    23.504    15.795    10.407  4.5917  12.059  4.0956  -1.651830      6.152874 
1 1 1 18  -16 36 o 10.308  2.7093  13.233    12.403    -23.0944  23.395    27.435    14.628    7.7892  3.7552  12.826  3.9064  -5.037323      5.418609 
1 1 1 18  -16 37 o 16.468  3.2574  40.608    14.974    84.509    27.430    21.971    17.872    21.414  4.8897  11.522  4.3052  9.892374       6.514883 
1 1 1 18  -16 38 o 18.016  3.4246  68.122    17.666    47.046    32.434    77.012    21.065    14.514  5.7028  21.519  3.7933  -7.005466      6.849184 
1 1 1 18  -16 39 o 14.793  3.5986  46.233    16.836    47.456    31.239    45.732    19.988    14.169  5.5874  15.417  4.5366  -1.247718      7.197213 
1 1 1 18  -16 40 o 8.7784  4.2175  -10.3143  28.884    -10.3143  28.884    0.0000    0.0000    8.7784  4.2175  ?       ?       ?              ?        
1 1 1 18  -16 41 o 11.998  5.3029  42.348    33.518    42.348    33.518    0.0000    0.0000    11.998  5.3029  ?       ?       ?              ?        
1 1 1 18  -15 0  o 67.875  1.9542  618.969   35.513    642.368   50.387    595.872   50.061    69.153  2.7203  66.597  2.8064  2.556152       3.908484 
1 1 1 18  -15 1  o 50.928  1.7934  348.715   24.420    353.216   34.478    344.183   34.592    51.292  2.5096  50.565  2.5625  0.7272339      3.586714 
1 1 1 18  -15 2  o 53.951  1.8211  392.075   26.200    421.922   36.946    361.881   37.160    56.062  2.4604  51.840  2.6854  4.222694       3.642124 
1 1 1 18  -15 3  o 68.171  1.9598  624.228   35.781    612.106   50.398    636.549   50.809    67.503  2.7874  68.840  2.7556  -1.336929      3.919534 
1 1 1 18  -15 4  o 116.190 2.5752  1817.66   80.134    1790.83   113.503   1844.33   113.150   115.330 3.6743  117.051 3.6090  -1.721008      5.150329 
1 1 1 18  -15 5  o 146.417 3.0716  2893.10   120.447   2848.68   170.612   2937.24   170.064   145.286 4.3843  147.548 4.3032  -2.261703      6.143220 
1 1 1 18  -15 6  o 80.183  2.1080  864.189   45.272    872.531   64.091    855.883   63.957    80.571  2.9698  79.796  2.9924  0.7745590      4.215964 
1 1 1 18  -15 7  o 45.123  1.8189  274.406   21.886    270.093   31.161    278.605   30.748    44.768  2.6100  45.479  2.5342  -0.7102699     3.637871 
1 1 1 18  -15 8  o 45.177  1.8421  274.964   22.179    289.758   31.681    260.744   31.060    46.378  2.5603  43.977  2.6492  2.400219       3.684192 
1 1 1 18  -15 9  o 36.992  1.8591  185.010   18.274    177.930   26.193    191.724   25.506    36.288  2.7145  37.695  2.5411  -1.407722      3.718289 
1 1 1 18  -15 10 o 42.552  1.8733  245.458   21.132    222.122   30.333    267.464   29.455    40.551  2.8100  44.554  2.4780  -4.002789      3.746586 
1 1 1 18  -15 11 o 55.172  1.8795  409.171   27.765    408.779   39.781    409.543   38.769    55.143  2.6933  55.200  2.6222  -0.5692673E-01 3.758971 
1 1 1 18  -15 12 o 26.247  1.9744  93.434    13.645    100.244   19.893    87.382    18.751    27.160  2.7734  25.333  2.8109  1.826962       3.948766 
1 1 1 18  -15 13 o 66.681  1.9681  598.162   35.145    613.485   50.123    583.344   49.291    67.522  2.7714  65.839  2.7951  1.682266       3.936171 
1 1 1 18  -15 14 f 44.910  1.8284  272.611   21.866    262.531   31.414    282.084   30.455    44.089  2.6727  45.731  2.4958  -1.641899      3.656843 
1 1 1 18  -15 15 o 82.783  2.1182  924.171   46.957    908.308   66.729    939.733   66.090    82.072  3.0355  83.494  2.9552  -1.422607      4.236474 
1 1 1 18  -15 16 o 42.264  1.8694  241.182   21.013    263.283   30.316    220.747   29.151    44.142  2.5753  40.386  2.7106  3.756340       3.738862 
1 1 1 18  -15 17 o 79.925  2.1347  863.008   45.690    853.545   65.016    872.241   64.223    79.484  3.0539  80.366  2.9835  -0.8817368     4.269345 
1 1 1 18  -15 18 o 64.160  1.9977  555.942   34.328    561.359   49.003    550.723   48.102    64.465  2.8380  63.856  2.8124  0.6086960      3.995473 
1 1 1 18  -15 19 o 59.184  1.9649  473.215   31.134    493.387   44.659    454.140   43.427    60.414  2.7599  57.954  2.7976  2.460037       3.929821 
1 1 1 18  -15 20 o 60.877  2.0097  501.932   32.762    506.289   46.937    497.793   45.752    61.129  2.8667  60.625  2.8175  0.5031853      4.019496 
1 1 1 18  -15 21 o 23.757  2.3621  78.121    14.531    89.629    21.187    67.901    19.966    25.472  3.1743  22.041  3.4988  3.431385       4.724166 
1 1 1 18  -15 22 o 11.862  4.0395  18.121    15.366    18.121    15.366    0.0000    0.0000    11.862  4.0395  ?       ?       ?              ?        
1 1 1 18  -15 23 o 23.430  3.4153  76.829    20.803    0.0000    0.0000    76.829    20.803    ?       ?       23.430  3.4153  ?              ?        
1 1 1 18  -15 24 o 44.966  1.9798  282.200   23.019    252.191   36.018    302.918   29.928    42.759  3.1674  47.174  2.3762  -4.414608      3.959688 
1 1 1 18  -15 25 o 26.824  2.1053  94.733    14.435    122.766   24.233    79.315    17.971    29.740  3.0870  23.908  2.8634  5.832638       4.210544 
1 1 1 18  -15 26 f 27.289  2.1422  99.313    15.017    124.797   24.795    84.548    18.873    29.928  3.1398  24.649  2.9150  5.279245       4.284374 
1 1 1 18  -15 27 o 22.721  2.4406  73.208    13.777    73.804    23.008    72.875    17.202    22.601  3.9442  22.841  2.8755  -0.2403774     4.881110 
1 1 1 18  -15 28 o 11.589  2.7857  14.008    10.101    30.006    18.128    6.8041    12.164    14.332  4.3451  8.8454  3.4871  5.486695       5.571303 
1 1 1 18  -15 29 o 20.875  2.6236  58.128    13.657    90.950    23.203    40.729    16.893    25.160  3.5409  16.589  3.8724  8.571585       5.247262 
1 1 1 18  -15 30 o 15.507  2.7832  40.453    13.144    8.2870    22.488    57.146    16.200    11.065  4.5996  19.950  3.1350  -8.884851      5.566382 
1 1 1 18  -15 31 o 26.933  2.5505  105.518   17.180    108.480   28.662    103.857   21.462    26.899  4.1084  26.967  3.0234  -0.6823921E-01 5.100990 
1 1 1 18  -15 32 o 8.4003  3.8238  -7.4543   18.903    -7.4543   18.903    0.0000    0.0000    8.4003  3.8238  ?       ?       ?              ?        
1 1 1 18  -15 33 o 9.9367  2.9352  4.1473    11.915    18.939    22.656    -1.5077   14.008    12.102  4.7627  7.7716  3.4319  4.330084       5.870354 
1 1 1 18  -15 34 o 37.175  2.5057  212.372   23.258    195.397   38.384    222.220   29.236    35.191  4.1522  39.159  2.8059  -3.968128      5.011370 
1 1 1 18  -15 35 o 15.550  3.1143  44.436    14.653    23.413    25.178    55.205    18.019    12.454  4.9822  18.646  3.7382  -6.191609      6.228680 
1 1 1 18  -15 36 f 9.3925  2.8565  6.8036    11.923    5.7895    22.978    7.1773    13.948    10.010  4.4090  8.7753  3.6330  1.234380       5.712993 
1 1 1 18  -15 37 o 14.220  3.1891  39.014    15.411    15.032    26.982    50.626    18.775    11.227  4.8639  17.212  4.1261  -5.984335      6.378292 
1 1 1 18  -15 38 o 24.108  3.3673  104.761   19.682    108.456   34.668    103.003   23.909    23.048  5.6576  25.168  3.6533  -2.120113      6.734652 
1 1 1 18  -15 39 o 21.221  3.6355  86.406    19.377    102.199   34.647    79.219    23.375    21.398  5.8688  21.044  4.2924  0.3548813      7.271048 
1 1 1 18  -15 40 o 9.6552  4.5247  2.2975    29.432    2.2975    29.432    0.0000    0.0000    9.6552  4.5247  ?       ?       ?              ?        
1 1 1 18  -15 41 o 10.068  4.6955  14.521    31.071    14.521    31.071    0.0000    0.0000    10.068  4.6955  ?       ?       ?              ?        
1 1 1 18  -14 0  o 89.948  2.2103  1087.24   53.247    1081.36   75.607    1093.02   75.001    89.704  3.1467  90.191  3.1046  -0.4865646     4.420505 
1 1 1 18  -14 1  o 147.218 3.0507  2921.22   120.286   2894.44   170.525   2947.74   169.699   146.540 4.3445  147.896 4.2838  -1.356384      6.101333 
1 1 1 18  -14 2  o 86.682  2.1735  1009.54   50.460    995.816   71.303    1023.32   71.419    86.090  3.0922  87.274  3.0552  -1.184006      4.346941 
1 1 1 18  -14 3  o 74.740  1.9918  750.146   39.868    732.071   56.220    768.429   56.544    73.832  2.8429  75.647  2.7906  -1.814987      3.983653 
1 1 1 18  -14 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -14 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -14 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -14 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -14 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -14 9  o 41.356  1.8199  230.430   20.047    233.797   28.940    227.324   27.796    41.644  2.6077  41.068  2.5393  0.5757942      3.639789 
1 1 1 18  -14 10 o 74.106  2.0425  737.975   40.538    747.032   57.823    729.221   56.848    74.553  2.8957  73.660  2.8813  0.8927841      4.084952 
1 1 1 18  -14 11 o 45.271  1.8256  276.018   22.022    293.507   31.551    259.403   30.752    46.678  2.5330  43.863  2.6296  2.814442       3.651174 
1 1 1 18  -14 12 f 21.973  2.1900  67.683    12.194    52.586    17.654    81.459    16.864    19.462  3.5160  24.484  2.6118  -5.021563      4.379943 
1 1 1 18  -14 13 o 111.284 2.5033  1669.77   74.612    1697.27   105.801   1642.56   105.237   112.200 3.5205  110.368 3.5599  1.831459       5.006687 
1 1 1 18  -14 14 o 89.726  2.2355  1084.97   53.709    1058.51   76.189    1111.12   75.725    88.630  3.2094  90.822  3.1128  -2.192261      4.470999 
1 1 1 18  -14 15 o 68.339  1.9850  628.526   36.326    646.727   51.863    610.997   50.897    69.312  2.7936  67.366  2.8207  1.945244       3.969972 
1 1 1 18  -14 16 o 45.023  1.8472  273.779   22.158    273.298   32.039    274.220   30.677    44.977  2.6715  45.070  2.5517  -0.9337234E-01 3.694354 
1 1 1 18  -14 17 o 94.214  2.3153  1199.45   58.422    1223.57   82.902    1175.65   82.343    95.161  3.2525  93.268  3.2961  1.893570       4.630690 
1 1 1 18  -14 18 o 6.4362  2.1045  -9.9466   8.5320    -10.4097  11.819    -9.4426   12.330    6.2914  2.9213  6.5810  3.0302  -0.2896409     4.209038 
1 1 1 18  -14 19 o 98.299  2.4484  1311.47   64.450    1283.36   91.284    1339.42   91.008    97.232  3.5051  99.365  3.4194  -2.132843      4.896735 
1 1 1 18  -14 20 o 29.376  1.9264  112.395   14.634    147.354   23.853    91.294    18.532    32.903  2.7313  25.848  2.7173  7.054678       3.852758 
1 1 1 18  -14 21 o 40.320  1.8968  223.345   19.877    209.387   31.138    232.945   25.823    39.169  2.9906  41.472  2.3342  -2.303486      3.793693 
1 1 1 18  -14 22 o 45.847  1.9127  289.300   22.871    266.752   35.515    305.276   29.895    44.180  3.0193  47.515  2.3490  -3.334476      3.825410 
1 1 1 18  -14 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -14 24 o 78.870  2.1844  851.153   45.906    855.306   68.549    847.777   61.814    78.958  3.2413  78.782  2.9294  0.1762314      4.368865 
1 1 1 18  -14 25 o 20.076  2.5710  61.658    12.515    43.368    20.534    72.466    15.785    17.237  4.4251  22.916  2.6188  -5.678993      5.141906 
1 1 1 18  -14 26 o 12.102  2.7681  19.737    9.8641    20.968    16.941    19.105    12.133    12.525  4.2416  11.679  3.5579  0.8457270      5.536194 
1 1 1 18  -14 27 o 31.722  2.1694  143.170   17.437    127.216   27.898    153.397   22.338    30.032  3.5359  33.412  2.5145  -3.379187      4.338780 
1 1 1 18  -14 28 o 15.121  2.8957  30.474    11.832    47.371    20.071    21.474    14.648    17.888  4.2518  12.354  3.9322  5.533105       5.791327 
1 1 1 18  -14 29 o 30.694  2.3108  134.692   17.971    126.692   29.060    139.646   22.868    29.697  3.7360  31.690  2.7205  -1.992958      4.621506 
1 1 1 18  -14 30 o 22.486  2.6634  71.785    14.966    82.704    25.161    65.806    18.618    23.610  4.1291  21.361  3.3654  2.249649       5.326859 
1 1 1 18  -14 31 o 17.865  3.1162  49.292    14.358    48.092    24.401    49.927    17.757    17.430  4.9790  18.300  3.7486  -0.8706703     6.232424 
1 1 1 18  -14 32 o 18.486  3.9640  56.268    20.429    54.092    24.722    60.955    36.276    18.287  4.9334  18.686  6.2059  -0.3982716     7.927964 
1 1 1 18  -14 33 o 34.020  3.1603  180.193   23.556    180.532   47.373    180.082   27.150    32.637  5.6220  35.403  2.8883  -2.766048      6.320544 
1 1 1 18  -14 34 o 13.884  3.0973  32.917    13.507    17.025    24.544    39.821    16.177    11.881  4.8582  15.888  3.8432  -4.006408      6.194564 
1 1 1 18  -14 35 o 28.370  2.7753  125.261   19.610    134.310   33.063    120.351   24.357    28.527  4.4743  28.212  3.2847  0.3149185      5.550553 
1 1 1 18  -14 36 o 11.806  2.7811  20.694    13.529    -18.8803  23.906    39.340    16.410    8.1983  3.9110  15.414  3.9550  -7.216088      5.562209 
1 1 1 18  -14 37 o 10.251  2.7234  11.265    13.137    -33.1878  24.711    28.778    15.510    7.4767  3.6618  13.025  4.0324  -5.548032      5.446901 
1 1 1 18  -14 38 o 11.362  2.9671  20.377    14.429    -16.3251  27.656    34.106    16.914    8.7999  4.2004  13.924  4.1917  -5.123683      5.934122 
1 1 1 18  -14 39 o 17.961  3.7457  66.878    18.578    70.752    34.746    65.327    21.984    16.964  6.0543  18.958  4.4122  -1.993483      7.491492 
1 1 1 18  -14 40 o 12.950  5.5162  40.985    33.618    40.985    33.618    0.0000    0.0000    12.950  5.5162  ?       ?       ?              ?        
1 1 1 18  -14 41 o 9.6257  4.5416  6.9044    30.554    6.9044    30.554    0.0000    0.0000    9.6257  4.5416  ?       ?       ?              ?        
1 1 1 18  -13 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -13 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -13 2  o 73.954  1.9793  734.213   39.207    726.437   55.333    742.053   55.561    73.561  2.8083  74.348  2.7900  -0.7876205     3.958661 
1 1 1 18  -13 3  o 85.885  2.1328  990.750   49.051    964.769   69.302    1016.83   69.434    84.754  3.0528  87.016  2.9791  -2.262619      4.265505 
1 1 1 18  -13 4  o 154.089 3.1655  3199.85   130.644   3179.46   185.022   3220.13   184.497   153.595 4.4974  154.583 4.4559  -0.9881287     6.330998 
1 1 1 18  -13 5  f 107.710 2.4406  1559.59   70.409    1560.99   100.053   1558.23   99.101    107.756 3.4666  107.664 3.4365  0.9179688E-01  4.881262 
1 1 1 18  -13 6  o 165.836 3.3703  3710.03   149.696   3767.04   212.868   3654.25   210.556   167.099 4.7561  164.573 4.7766  2.525894       6.740647 
1 1 1 18  -13 7  o 41.168  1.7966  227.975   19.696    241.812   28.452    215.243   27.292    42.373  2.5183  39.964  2.5631  2.408501       3.593243 
1 1 1 18  -13 8  o 149.938 3.1752  3034.24   127.416   2920.75   181.201   3145.24   179.202   147.138 4.5978  152.739 4.3803  -5.601425      6.350322 
1 1 1 18  -13 9  o 187.280 3.7548  4745.48   188.349   4747.52   266.895   4743.46   265.841   187.317 5.3195  187.244 5.3006  0.7345581E-01  7.509592 
1 1 1 18  -13 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -13 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -13 12 o 41.739  1.8130  235.500   20.113    221.152   28.893    248.991   28.016    40.485  2.6796  42.993  2.4430  -2.508392      3.626088 
1 1 1 18  -13 13 o 85.613  2.1820  986.449   50.018    962.092   71.004    1010.44   70.472    84.558  3.1350  86.669  3.0357  -2.111420      4.363945 
1 1 1 18  -13 14 o 42.791  1.7943  247.151   20.445    241.814   29.490    252.090   28.370    42.335  2.6135  43.247  2.4593  -0.9113159     3.588687 
1 1 1 18  -13 15 o 69.607  2.0260  652.250   37.758    644.086   53.946    660.091   52.866    69.174  2.9116  70.039  2.8180  -0.8653717     4.051985 
1 1 1 18  -13 16 o 13.061  2.3496  21.421    10.420    -5.0901   15.127    45.355    14.373    8.0236  3.5535  18.099  3.0750  -10.07506      4.699266 
1 1 1 18  -13 17 o 30.866  2.2871  132.873   18.078    146.638   23.864    114.335   27.694    32.884  2.7341  28.847  3.6671  4.037813       4.574224 
1 1 1 18  -13 18 o 26.495  2.1258  100.674   13.896    78.355    22.065    115.344   17.889    23.801  3.5714  29.190  2.3068  -5.388252      4.251596 
1 1 1 18  -13 19 o 71.317  1.9980  682.478   37.999    730.054   57.074    644.599   50.926    73.521  2.8983  69.113  2.7510  4.407921       3.996014 
1 1 1 18  -13 20 o 43.735  1.8538  257.955   21.328    266.360   33.183    252.037   27.841    44.304  2.8109  43.166  2.4177  1.137756       3.707586 
1 1 1 18  -13 21 o 82.528  2.1827  925.237   48.017    913.154   71.220    935.306   65.016    81.978  3.2435  83.079  2.9217  -1.101158      4.365398 
1 1 1 18  -13 22 o 35.492  1.9038  169.101   17.720    186.688   27.923    157.243   22.928    36.989  2.8400  33.996  2.5363  2.992912       3.807692 
1 1 1 18  -13 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -13 24 o 55.489  1.9971  421.976   29.276    407.208   44.408    433.329   38.935    54.505  3.0541  56.473  2.5741  -1.967663      3.994150 
1 1 1 18  -13 25 o 43.703  2.0359  267.524   23.055    232.986   35.437    292.873   30.359    41.053  3.2493  46.354  2.4539  -5.301296      4.071805 
1 1 1 18  -13 26 o 14.792  2.7906  30.129    10.931    38.284    18.350    25.645    13.608    16.213  4.1939  13.372  3.6824  2.840637       5.581146 
1 1 1 18  -13 27 o 25.872  2.2952  94.587    15.018    90.820    24.197    96.948    19.155    25.280  3.6815  26.464  2.7421  -1.183451      4.590447 
1 1 1 18  -13 28 o 23.108  2.4521  72.146    14.327    98.902    23.389    56.076    18.126    26.457  3.3776  19.759  3.5557  6.697977       4.904187 
1 1 1 18  -13 29 o 21.771  2.6198  62.825    14.130    107.900   23.576    37.559    17.651    27.631  3.2475  15.912  4.1119  11.71948       5.239632 
1 1 1 18  -13 30 o 30.222  2.2814  127.262   17.725    140.109   28.941    119.551   22.421    31.276  3.5156  29.169  2.9086  2.107208       4.562844 
1 1 1 18  -13 31 o 36.249  2.2436  183.220   21.146    206.601   34.080    168.584   26.964    37.953  3.3880  34.544  2.9422  3.408768       4.487251 
1 1 1 18  -13 32 o 30.297  3.3255  134.053   25.291    99.281    31.832    193.583   41.650    25.019  4.9254  35.575  4.4696  -10.55615      6.651086 
1 1 1 18  -13 33 o 12.646  3.0691  24.913    13.880    -4.6320   28.078    34.468    15.967    10.401  4.7053  14.890  3.9417  -4.488750      6.138102 
1 1 1 18  -13 34 o 23.320  3.1277  92.946    17.513    70.523    29.919    104.631   21.599    19.963  5.4449  26.677  3.0794  -6.713873      6.255326 
1 1 1 18  -13 35 o 32.828  3.0345  187.270   22.563    122.001   36.726    226.842   28.596    26.119  5.4269  39.537  2.7168  -13.41819      6.068924 
1 1 1 18  -13 36 o 15.765  3.3221  45.304    14.996    37.806    27.197    48.579    17.975    14.332  5.3196  17.199  3.9807  -2.867020      6.644142 
1 1 1 18  -13 37 o 12.333  3.3128  24.176    14.144    30.826    25.979    21.375    16.862    13.149  5.1218  11.516  4.2031  1.633289       6.625645 
1 1 1 18  -13 38 o 28.324  3.3057  146.025   21.767    124.317   37.862    156.742   26.603    24.757  5.8096  31.890  3.1560  -7.132618      6.611486 
1 1 1 18  -13 39 o 12.673  3.4961  28.999    15.740    36.658    31.177    26.379    18.235    13.242  5.4520  12.103  4.3780  1.138294       6.992216 
1 1 1 18  -13 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -13 41 o 7.6808  3.7718  -23.3672  26.767    -23.3672  26.767    0.0000    0.0000    7.6808  3.7718  ?       ?       ?              ?        
1 1 1 18  -12 0  o 28.751  1.7240  111.712   13.143    116.001   18.608    107.444   18.565    29.310  2.3911  28.191  2.4841  1.118977       3.447909 
1 1 1 18  -12 1  o 93.229  2.2177  1167.90   55.334    1114.06   78.277    1221.67   78.231    91.075  3.2088  95.384  3.0620  -4.309334      4.435410 
1 1 1 18  -12 2  o 159.084 3.2119  3409.24   136.857   3381.20   193.741   3437.17   193.350   158.426 4.5657  159.742 4.5189  -1.315460      6.423874 
1 1 1 18  -12 3  o 149.692 3.0652  3017.79   122.854   2927.33   173.788   3108.16   173.697   147.437 4.4007  151.947 4.2679  -4.510666      6.130341 
1 1 1 18  -12 4  o 165.751 3.3330  3703.19   147.969   3684.84   209.782   3721.36   208.740   165.337 4.7371  166.165 4.6901  -0.8278961     6.666072 
1 1 1 18  -12 5  o 54.859  1.8460  404.960   27.035    388.190   38.759    420.850   37.730    53.713  2.7027  56.005  2.5152  -2.292210      3.691940 
1 1 1 18  -12 6  o 226.833 4.3967  6971.11   267.123   7030.35   379.480   6912.92   376.080   227.787 6.2197  225.878 6.2161  1.908829       8.793440 
1 1 1 18  -12 7  o 76.040  2.0724  775.798   42.192    805.279   60.637    748.126   58.746    77.440  2.9233  74.640  2.9384  2.799683       4.144897 
1 1 1 18  -12 8  o 102.834 2.4170  1422.00   66.552    1394.69   94.692    1448.65   93.556    101.852 3.4710  103.815 3.3645  -1.963776      4.834038 
1 1 1 18  -12 9  o 29.374  1.8109  116.564   14.098    121.139   20.315    112.315   19.580    29.934  2.5583  28.814  2.5637  1.119514       3.621835 
1 1 1 18  -12 10 o 130.031 2.8272  2277.20   98.466    2273.60   139.384   2280.79   139.121   129.928 4.0052  130.135 3.9912  -0.2078705     5.654341 
1 1 1 18  -12 11 o 71.764  1.9999  692.093   38.424    674.622   54.667    709.153   54.019    70.864  2.8801  72.663  2.7755  -1.798996      3.999812 
1 1 1 18  -12 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -12 13 o 93.038  2.2523  1164.45   56.126    1159.56   79.645    1169.29   79.107    92.842  3.2028  93.235  3.1677  -0.3930817     4.504689 
1 1 1 18  -12 14 o 41.074  1.7828  227.028   19.499    239.557   28.317    215.730   26.889    42.154  2.5195  39.995  2.5229  2.159290       3.565558 
1 1 1 18  -12 15 o 16.984  2.1316  51.947    10.111    -1.5931   16.315    85.337    12.884    8.8240  3.8025  25.144  1.9278  -16.32000      4.263214 
1 1 1 18  -12 16 o 92.705  2.3388  1178.49   57.071    979.954   83.540    1352.23   78.150    85.188  3.6612  100.221 2.9112  -15.03315      4.677593 
1 1 1 18  -12 17 o 92.179  2.2720  1150.62   55.795    1095.84   82.082    1197.67   76.073    90.092  3.4015  94.266  3.0129  -4.174568      4.544011 
1 1 1 18  -12 18 o 22.130  2.4252  74.273    12.713    46.617    20.230    92.323    16.344    18.169  4.2351  26.091  2.3643  -7.922171      4.850389 
1 1 1 18  -12 19 o 54.527  1.8931  402.869   27.315    390.332   41.285    412.630   36.429    53.703  2.8807  55.351  2.4572  -1.648167      3.786276 
1 1 1 18  -12 20 o 78.916  2.1202  840.628   44.682    862.863   66.143    821.964   60.600    79.849  3.0926  77.983  2.9012  1.866776       4.240439 
1 1 1 18  -12 21 o 89.759  2.2726  1091.90   54.514    1115.25   80.179    1071.83   74.339    90.616  3.3035  88.901  3.1219  1.715202       4.545241 
1 1 1 18  -12 22 o 77.758  2.1468  820.332   44.556    831.573   66.015    810.926   60.383    78.204  3.1515  77.311  2.9160  0.8932877      4.293620 
1 1 1 18  -12 23 o 74.257  4.5684  768.849   90.424    768.849   90.424    0.0000    0.0000    74.257  4.5684  ?       ?       ?              ?        
1 1 1 18  -12 24 o 69.766  2.7633  692.370   45.937    630.769   84.726    718.019   54.670    66.911  4.7585  72.621  2.8106  -5.710716      5.526574 
1 1 1 18  -12 25 o 11.606  2.7043  17.238    9.3185    21.011    16.182    15.366    11.398    12.510  4.1445  10.702  3.4751  1.808290       5.408575 
1 1 1 18  -12 26 o 44.684  2.0219  276.533   23.668    260.803   36.294    288.172   31.220    43.450  3.1397  45.919  2.5484  -2.468494      4.043751 
1 1 1 18  -12 27 o 62.042  2.1207  533.231   34.788    506.297   52.346    554.537   46.558    60.450  3.2448  63.633  2.7316  -3.182682      4.241496 
1 1 1 18  -12 28 f 29.853  2.3128  128.914   17.254    109.546   27.622    141.307   22.095    27.691  3.8263  32.015  2.5991  -4.323517      4.625575 
1 1 1 18  -12 29 o 52.930  2.0949  388.639   29.220    393.642   45.032    385.000   38.401    53.078  3.1822  52.782  2.7256  0.2957420      4.189897 
1 1 1 18  -12 30 o 42.301  2.1325  248.018   23.612    266.199   37.376    235.943   30.460    43.442  3.2354  41.161  2.7791  2.280663       4.265087 
1 1 1 18  -12 31 o 36.131  2.2318  182.080   21.000    203.468   33.631    168.411   26.886    37.709  3.3651  34.554  2.9326  3.155422       4.463635 
1 1 1 18  -12 32 o 29.237  4.0106  127.878   30.579    127.878   30.579    0.0000    0.0000    29.237  4.0106  ?       ?       ?              ?        
1 1 1 18  -12 33 o 18.535  3.1339  58.100    15.126    42.114    26.180    66.111    18.533    15.955  5.2708  21.115  3.3917  -5.160124      6.267779 
1 1 1 18  -12 34 o 28.996  2.7907  133.247   19.404    116.244   32.799    142.401   24.067    26.658  4.7686  31.334  2.9004  -4.675955      5.581437 
1 1 1 18  -12 35 o 18.991  3.2089  62.247    15.716    54.197    26.774    66.478    19.412    17.290  5.2889  20.691  3.6352  -3.401430      6.417709 
1 1 1 18  -12 36 o 11.298  2.8793  19.151    12.855    -6.5663   23.362    30.320    15.396    9.0317  4.1631  13.565  3.9787  -4.532887      5.758622 
1 1 1 18  -12 37 o 23.404  3.2259  89.518    18.426    111.207   32.901    79.607    22.241    24.686  5.1428  22.121  3.8959  2.564537       6.451874 
1 1 1 18  -12 38 o 9.4066  2.9197  -2.8633   12.601    25.280    25.043    -12.4047  14.582    12.275  4.9482  6.5384  3.1006  5.736350       5.839353 
1 1 1 18  -12 39 o 11.334  3.3039  20.515    15.559    18.561    28.857    21.316    18.474    11.407  4.9846  11.261  4.3377  0.1456633      6.607703 
1 1 1 18  -12 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -11 0  o 204.611 3.9801  5653.63   218.122   5712.69   309.077   5595.03   307.869   205.681 5.6103  203.541 5.6471  2.140213       7.960211 
1 1 1 18  -11 1  o 66.749  1.8940  598.400   33.818    631.749   47.748    564.831   47.905    68.620  2.5978  64.877  2.7568  3.743324       3.787948 
1 1 1 18  -11 2  o 41.952  1.7217  236.772   19.248    224.584   26.942    249.479   27.510    40.842  2.4744  43.061  2.3946  -2.218685      3.443413 
1 1 1 18  -11 3  o 152.582 3.1348  3135.00   128.096   3080.83   181.495   3188.77   180.818   151.260 4.4797  153.904 4.3863  -2.644379      6.269604 
1 1 1 18  -11 4  o 110.703 2.4931  1646.93   73.912    1643.85   105.463   1649.90   103.617   110.597 3.5601  110.808 3.4912  -0.2106094     4.986246 
1 1 1 18  -11 5  o 149.075 3.1178  2993.87   124.431   2926.02   177.329   3059.69   174.645   147.395 4.4917  150.755 4.3251  -3.359955      6.235510 
1 1 1 18  -11 6  o 148.863 3.0886  2983.66   123.143   3017.16   175.381   2951.09   172.946   149.686 4.3743  148.040 4.3616  1.645767       6.177206 
1 1 1 18  -11 7  o 35.827  1.7911  173.288   17.051    168.251   24.556    177.978   23.695    35.313  2.6147  36.341  2.4486  -1.027908      3.582219 
1 1 1 18  -11 8  o 130.232 2.8395  2282.73   99.041    2255.75   140.377   2309.47   139.755   129.461 4.0483  131.004 3.9829  -1.542862      5.679049 
1 1 1 18  -11 9  o 49.544  1.7893  330.246   23.663    330.434   33.714    330.063   33.219    49.556  2.5486  49.531  2.5121  0.2471542E-01  3.578556 
1 1 1 18  -11 10 o 32.744  1.6992  144.856   14.774    138.728   21.179    150.663   20.619    32.056  2.4861  33.431  2.3169  -1.375114      3.398360 
1 1 1 18  -11 11 o 55.060  1.7747  406.703   26.161    423.897   37.405    390.241   36.602    56.199  2.4849  53.920  2.5343  2.279472       3.549308 
1 1 1 18  -11 12 o 85.443  2.1163  987.974   48.068    902.745   70.392    1062.44   65.798    81.944  3.2071  88.941  2.7620  -6.997116      4.232516 
1 1 1 18  -11 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -11 14 o 90.620  2.1885  1105.19   52.966    1095.25   77.742    1113.81   72.359    90.224  3.2170  91.016  2.9681  -0.7926865     4.377055 
1 1 1 18  -11 15 f 47.527  1.7725  302.948   22.305    314.717   34.020    294.073   29.541    48.320  2.6385  46.734  2.3677  1.586327       3.545100 
1 1 1 18  -11 16 o 112.947 2.5777  1729.37   77.610    1607.61   112.678   1839.27   107.052   109.096 3.8560  116.797 3.4219  -7.701233      5.155451 
1 1 1 18  -11 17 o 151.064 3.1402  3094.58   127.006   3139.48   182.799   3052.68   176.589   152.103 4.4869  150.026 4.3945  2.077408       6.280428 
1 1 1 18  -11 18 o 72.368  2.0173  699.874   38.908    804.576   57.837    613.319   52.586    77.281  2.7941  67.456  2.9104  9.824501       4.034566 
1 1 1 18  -11 19 o 40.915  1.8411  222.951   19.914    258.833   30.474    196.208   26.309    43.754  2.6122  38.076  2.5951  5.677723       3.682143 
1 1 1 18  -11 20 o 65.324  1.9829  572.406   34.578    625.866   51.496    528.511   46.662    68.080  2.8240  62.568  2.7843  5.511513       3.965793 
1 1 1 18  -11 21 o 157.456 3.3168  3409.62   139.830   3434.24   200.801   3386.45   194.831   157.958 4.7461  156.954 4.6344  1.004395       6.633505 
1 1 1 18  -11 22 o 36.255  2.0262  185.015   18.800    149.021   28.677    212.139   24.895    32.940  3.2945  39.570  2.3596  -6.629742      4.052352 
1 1 1 18  -11 23 o 25.787  3.3487  92.204    22.583    92.204    22.583    0.0000    0.0000    25.787  3.3487  ?       ?       ?              ?        
1 1 1 18  -11 24 o 35.044  2.3757  162.124   20.094    188.352   38.072    151.997   23.656    36.742  3.9295  33.346  2.6710  3.395954       4.751365 
1 1 1 18  -11 25 o 17.689  2.5430  42.045    11.326    56.441    19.028    34.147    14.094    19.921  3.7025  15.458  3.4870  4.462572       5.086056 
1 1 1 18  -11 26 o 44.682  1.9810  270.050   23.387    303.642   36.074    245.697   30.715    47.024  2.8779  42.339  2.7229  4.685108       3.961930 
1 1 1 18  -11 27 o 31.855  2.0950  137.752   17.414    156.661   27.620    125.277   22.434    33.597  3.1044  30.113  2.8140  3.483925       4.189956 
1 1 1 18  -11 28 o 33.997  2.1898  164.177   19.013    146.221   30.022    176.202   24.569    32.205  3.5387  35.788  2.5803  -3.583622      4.379588 
1 1 1 18  -11 29 o 8.2575  2.4070  0.8056    9.6206    -20.5384  17.043    10.788    11.655    6.9497  3.3117  9.5653  3.4939  -2.615621      4.814074 
1 1 1 18  -11 30 o 21.478  2.7977  70.369    14.717    58.714    24.444    76.997    18.433    19.625  4.7102  23.331  3.0205  -3.706707      5.595481 
1 1 1 18  -11 31 o 29.998  2.3792  127.122   18.308    137.943   29.808    120.568   23.200    30.824  3.6834  29.172  3.0126  1.651911       4.758445 
1 1 1 18  -11 32 o 29.024  6.7058  148.260   51.083    148.260   51.083    0.0000    0.0000    29.024  6.7058  ?       ?       ?              ?        
1 1 1 18  -11 33 o 11.457  3.0967  15.632    12.206    21.388    22.958    13.363    14.412    12.608  4.8408  10.306  3.8631  2.301916       6.193307 
1 1 1 18  -11 34 o 16.536  3.1306  48.329    14.696    28.228    25.941    57.829    17.833    13.571  5.1611  19.501  3.5447  -5.930800      6.261150 
1 1 1 18  -11 35 o 13.713  3.3038  30.341    13.757    33.486    25.284    29.019    16.396    14.053  5.1442  13.372  4.1469  0.6805496      6.607533 
1 1 1 18  -11 36 o 24.983  3.0084  101.432   18.161    104.550   31.717    99.910    22.153    24.376  5.0249  25.590  3.3095  -1.214289      6.016860 
1 1 1 18  -11 37 o 9.6889  2.9404  7.1424    12.569    11.651    23.461    5.3276    14.885    10.708  4.5859  8.6701  3.6814  2.037543       5.880713 
1 1 1 18  -11 38 o 14.943  3.1454  44.456    15.698    13.510    29.006    57.274    18.668    11.271  4.9595  18.616  3.8702  -7.344661      6.290847 
1 1 1 18  -11 39 o 12.154  3.4381  24.246    15.545    36.074    29.573    19.729    18.273    13.294  5.3707  11.014  4.2940  2.279394       6.876280 
1 1 1 18  -11 40 o 8.8993  4.0265  3.2973    20.572    0.0000    0.0000    3.2973    20.572    ?       ?       8.8993  4.0265  ?              ?        
1 1 1 18  -10 0  o 167.826 3.3151  3793.04   149.018   3799.55   211.120   3786.57   210.368   167.968 4.6926  167.683 4.6838  0.2852325      6.630140 
1 1 1 18  -10 1  o 123.628 2.6149  2054.33   86.573    2011.00   122.502   2097.56   122.362   122.321 3.7390  124.936 3.6566  -2.614426      5.229761 
1 1 1 18  -10 2  o 216.382 4.1829  6327.17   242.426   6386.72   343.427   6268.03   342.261   217.403 5.8977  215.361 5.9334  2.041336       8.365838 
1 1 1 18  -10 3  o 51.154  1.7653  350.664   24.174    361.723   34.899    340.463   33.519    51.928  2.5091  50.380  2.4840  1.548260       3.530672 
1 1 1 18  -10 4  o 130.922 2.8116  2304.93   98.590    2327.72   140.388   2282.75   138.487   131.559 3.9840  130.285 3.9685  1.274826       5.623267 
1 1 1 18  -10 5  o 150.348 3.1324  3043.19   126.138   3056.47   179.367   3030.20   177.420   150.669 4.4445  150.026 4.4152  0.6435852      6.264812 
1 1 1 18  -10 6  o 75.302  2.1061  761.131   42.468    767.267   60.815    755.290   59.332    75.597  3.0034  75.008  2.9532  0.5892639      4.212107 
1 1 1 18  -10 7  o 87.018  2.2300  1016.97   51.972    1013.90   73.946    1019.97   73.060    86.886  3.1774  87.150  3.1299  -0.2636414     4.460053 
1 1 1 18  -10 8  o 94.476  2.7663  1210.07   66.627    1232.24   82.844    1169.48   112.112   95.777  3.2293  93.175  4.4922  2.602043       5.532512 
1 1 1 18  -10 9  o 81.847  2.0766  903.874   45.283    842.502   66.057    958.281   62.196    79.200  3.1139  84.494  2.7482  -5.293961      4.153212 
1 1 1 18  -10 10 o 27.817  1.6619  105.447   12.041    99.355    18.557    109.877   15.824    27.086  2.5894  28.548  2.0839  -1.462164      3.323791 
1 1 1 18  -10 11 o 114.099 2.5042  1753.74   76.370    1694.69   110.508   1807.72   105.662   112.240 3.6759  115.959 3.4019  -3.719574      5.008490 
1 1 1 18  -10 12 o 89.298  2.1819  1079.48   51.787    980.385   75.696    1166.67   71.004    85.394  3.3094  93.201  2.8443  -7.807259      4.363739 
1 1 1 18  -10 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -10 14 o 143.897 3.9020  2878.28   137.628   2630.08   245.432   2992.12   166.221   138.867 6.5985  148.927 4.1670  -10.06007      7.804078 
1 1 1 18  -10 15 o 29.565  1.8382  114.471   14.051    155.842   22.015    86.032    18.252    33.978  2.4351  25.152  2.7544  8.826542       3.676439 
1 1 1 18  -10 16 o 80.868  2.1454  884.615   46.193    829.519   67.798    932.349   63.107    78.480  3.2253  83.256  2.8299  -4.776199      4.290811 
1 1 1 18  -10 17 o 70.491  2.0381  671.071   38.277    645.318   56.488    692.933   52.047    69.215  3.0470  71.766  2.7076  -2.551666      4.076169 
1 1 1 18  -10 18 o 106.994 2.5250  1553.24   72.068    1450.09   104.305   1647.46   99.691    103.528 3.7615  110.460 3.3695  -6.931190      5.049955 
1 1 1 18  -10 19 o 34.314  1.8892  157.271   17.098    181.155   26.130    139.389   22.609    36.570  2.6864  32.058  2.6570  4.512569       3.778465 
1 1 1 18  -10 20 o 48.557  1.8901  316.182   24.379    352.245   36.565    287.324   32.709    51.033  2.6844  46.081  2.6614  4.952168       3.780138 
1 1 1 18  -10 21 o 79.817  2.1826  864.063   46.517    846.058   68.104    879.808   63.687    78.998  3.2186  80.637  2.9487  -1.639038      4.365119 
1 1 1 18  -10 22 o 33.809  2.0138  159.357   17.572    136.394   26.792    176.691   23.278    31.525  3.2180  36.093  2.4219  -4.567947      4.027510 
1 1 1 18  -10 23 o 11.751  4.7753  8.7231    23.529    8.7231    23.529    0.0000    0.0000    11.751  4.7753  ?       ?       ?              ?        
1 1 1 18  -10 24 o 16.040  2.5825  40.311    10.861    22.063    18.099    50.580    13.578    12.970  4.3843  19.109  2.7303  -6.139315      5.164968 
1 1 1 18  -10 25 o 57.161  2.0190  441.061   30.673    499.617   46.494    395.935   40.816    60.514  2.8685  53.809  2.8420  6.704933       4.037971 
1 1 1 18  -10 26 o 64.688  2.1154  573.427   36.383    572.382   54.815    574.249   48.642    64.546  3.1706  64.830  2.8012  -0.2848740     4.230769 
1 1 1 18  -10 27 o 59.577  2.1277  491.400   33.432    468.024   50.791    509.271   44.409    58.137  3.2750  61.018  2.7172  -2.880699      4.255483 
1 1 1 18  -10 28 o 19.053  2.6913  50.619    12.994    62.533    21.143    43.386    16.473    20.784  3.9422  17.322  3.6649  3.462421       5.382560 
1 1 1 18  -10 29 o 29.963  2.5191  135.616   18.167    98.186    28.958    159.911   23.329    25.891  4.3285  34.036  2.5782  -8.145208      5.038168 
1 1 1 18  -10 30 o 32.661  2.2656  149.696   19.119    155.134   30.590    146.210   24.493    32.978  3.5174  32.343  2.8566  0.6346283      4.531237 
1 1 1 18  -10 31 f 32.666  2.2975  148.297   19.329    169.181   31.798    136.058   24.342    34.295  3.5111  31.037  2.9641  3.257761       4.594992 
1 1 1 18  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -10 33 o 10.016  2.8431  9.9131    11.660    0.5226    20.467    14.426    14.188    9.5435  4.1834  10.488  3.8513  -0.9446402     5.686255 
1 1 1 18  -10 34 o 8.1641  2.4518  -2.7847   11.030    -35.2373  19.693    12.049    13.314    6.5318  3.2131  9.7963  3.7043  -3.264499      4.903630 
1 1 1 18  -10 35 o 30.794  2.7850  149.063   20.954    144.456   35.657    151.493   25.898    29.568  4.6563  32.020  3.0568  -2.451910      5.570007 
1 1 1 18  -10 36 o 13.006  3.2743  28.455    14.068    21.930    26.729    30.955    16.545    12.355  5.0630  13.658  4.1533  -1.302490      6.548559 
1 1 1 18  -10 37 o 24.817  3.1544  100.848   19.240    115.948   33.312    93.288    23.569    25.447  5.0654  24.186  3.7605  1.261717       6.308707 
1 1 1 18  -10 38 o 17.533  3.4465  61.233    17.451    43.418    30.815    69.644    21.174    14.607  5.6084  20.459  4.0073  -5.851452      6.892966 
1 1 1 18  -10 39 o 17.750  3.5440  66.633    18.163    51.118    33.683    72.993    21.566    14.861  5.8199  20.640  4.0458  -5.778480      7.088017 
1 1 1 18  -10 40 o 9.6394  2.9208  11.117    14.255    -28.6171  33.710    19.769    15.731    8.6151  4.2310  10.664  4.0279  -2.048608      5.841692 
1 1 1 18  -9  0  o 77.035  1.9623  796.458   40.470    826.597   57.328    766.516   57.140    78.491  2.7268  75.580  2.8226  2.911301       3.924591 
1 1 1 18  -9  1  o 184.204 3.6298  4574.50   179.069   4513.50   253.978   4634.80   252.512   182.971 5.1823  185.437 5.0839  -2.465485      7.259637 
1 1 1 18  -9  2  o 68.168  1.9386  623.180   35.380    633.776   50.972    613.329   49.147    68.726  2.7690  67.611  2.7139  1.115158       3.877168 
1 1 1 18  -9  3  o 122.571 3.3001  2055.30   102.354   2126.65   126.833   1922.07   173.316   125.787 3.7645  119.354 5.4214  6.433342       6.600241 
1 1 1 18  -9  4  o 43.072  1.9777  238.868   22.165    196.893   27.988    309.482   36.301    38.207  2.7534  47.938  2.8398  -9.731037      3.955430 
1 1 1 18  -9  5  o 261.775 5.0314  9301.24   352.705   9170.01   501.680   9429.50   495.970   259.905 7.2065  263.645 7.0234  -3.740601      10.06287 
1 1 1 18  -9  6  o 73.533  2.1574  747.165   41.186    577.859   60.573    892.740   56.167    65.491  3.4654  81.574  2.5707  -16.08219      4.314770 
1 1 1 18  -9  7  o 81.532  2.0844  888.823   45.428    963.666   66.627    823.804   62.102    84.727  2.9359  78.336  2.9597  6.390877       4.168859 
1 1 1 18  -9  8  o 81.862  2.0481  896.256   44.745    1010.89   65.292    794.747   61.441    86.784  2.8088  76.939  2.9814  9.845795       4.096168 
1 1 1 18  -9  9  o 107.018 2.3965  1540.91   68.571    1499.10   99.162    1579.22   94.925    105.613 3.5054  108.423 3.2687  -2.810608      4.792909 
1 1 1 18  -9  10 o 99.925  2.2614  1337.23   60.384    1472.85   87.900    1216.03   83.095    104.715 3.1340  95.136  3.2609  9.578323       4.522747 
1 1 1 18  -9  11 o 78.050  2.0020  818.585   41.709    809.414   61.395    826.446   56.839    77.635  2.9525  78.465  2.7045  -0.8300018     4.003929 
1 1 1 18  -9  12 o 163.497 3.2662  3602.88   142.784   3906.51   205.060   3317.13   198.933   170.208 4.4979  156.786 4.7371  13.42276       6.532319 
1 1 1 18  -9  13 o 71.916  1.9733  693.074   37.908    714.697   56.048    674.844   51.464    72.942  2.8688  70.890  2.7104  2.051414       3.946625 
1 1 1 18  -9  14 o 20.735  2.5932  56.982    13.600    83.329    21.566    39.585    17.525    24.665  3.3511  16.805  3.9585  7.860043       5.186479 
1 1 1 18  -9  15 o 41.923  1.8030  236.001   20.046    245.757   30.154    228.274   26.835    42.688  2.6504  41.158  2.4452  1.530182       3.606037 
1 1 1 18  -9  16 o 44.948  1.8513  273.282   22.033    264.847   32.882    280.155   29.682    44.294  2.7857  45.602  2.4389  -1.307987      3.702509 
1 1 1 18  -9  17 o 59.135  1.9375  470.922   30.570    464.884   45.112    476.048   41.569    58.772  2.8657  59.499  2.6084  -0.7266769     3.875055 
1 1 1 18  -9  18 o 36.214  1.9283  177.152   18.472    181.186   27.683    173.914   24.799    36.569  2.8488  35.859  2.5997  0.7106667      3.856651 
1 1 1 18  -9  19 o 72.486  2.1122  712.567   40.772    662.057   59.545    757.153   55.944    70.021  3.1749  74.952  2.7866  -4.930832      4.224353 
1 1 1 18  -9  20 o 35.641  1.9558  174.803   18.205    155.563   27.360    190.088   24.386    33.794  3.0557  37.488  2.4420  -3.693283      3.911565 
1 1 1 18  -9  21 o 38.411  1.9087  199.286   19.382    208.055   29.406    192.551   25.772    39.135  2.8244  37.688  2.5683  1.446774       3.817479 
1 1 1 18  -9  22 o 75.330  2.1637  771.209   43.467    754.690   64.148    785.233   59.103    74.533  3.2133  76.127  2.8986  -1.594040      4.327450 
1 1 1 18  -9  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -9  24 o 61.170  2.0923  512.313   33.890    494.444   51.009    526.434   45.344    60.092  3.1804  62.249  2.7196  -2.156624      4.184644 
1 1 1 18  -9  25 o 77.256  2.2198  814.466   45.764    845.922   68.202    788.703   61.722    78.553  3.2415  75.959  3.0337  2.594322       4.439634 
1 1 1 18  -9  26 o 70.771  2.1801  685.804   41.085    697.471   61.722    676.521   55.053    71.227  3.2352  70.316  2.9231  0.9106598      4.360187 
1 1 1 18  -9  27 o 38.144  2.0483  194.614   20.450    239.820   32.468    164.888   26.328    41.715  2.9243  34.573  2.8690  7.141384       4.096694 
1 1 1 18  -9  28 o 27.490  2.4571  110.956   16.588    90.527    26.718    123.770   21.159    25.036  4.1282  29.944  2.6661  -4.908451      4.914291 
1 1 1 18  -9  29 o 34.909  2.3105  174.872   20.465    154.989   32.648    187.741   26.266    32.965  3.7651  36.853  2.6793  -3.888142      4.621091 
1 1 1 18  -9  30 o 16.114  2.8377  42.118    12.800    20.338    21.239    54.541    16.041    12.699  4.7036  19.528  3.1759  -6.828362      5.675386 
1 1 1 18  -9  31 o 22.705  2.8503  80.366    15.702    63.808    26.019    89.851    19.692    20.244  4.8601  25.166  2.9792  -4.922314      5.700589 
1 1 1 18  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -9  33 o 13.276  3.0882  22.918    12.214    40.988    21.985    14.851    14.690    15.920  4.7758  10.633  3.9166  5.287405       6.176413 
1 1 1 18  -9  34 o 34.782  2.4504  173.473   21.896    211.779   36.555    152.038   27.345    37.439  3.6934  32.124  3.2214  5.314369       4.900863 
1 1 1 18  -9  35 o 23.119  3.0508  86.580    17.175    86.136    29.665    86.804    21.065    22.295  5.0808  23.942  3.3788  -1.646269      6.101688 
1 1 1 18  -9  36 o 21.127  3.2840  76.470    17.090    74.838    30.385    77.225    20.669    19.985  5.5021  22.269  3.5870  -2.283834      6.568080 
1 1 1 18  -9  37 o 29.614  2.9899  143.366   21.563    145.553   36.986    142.241   26.540    28.744  4.9846  30.484  3.3033  -1.740059      5.979848 
1 1 1 18  -9  38 o 11.345  3.2344  19.333    15.144    9.0521    27.644    23.741    18.101    10.764  4.7837  11.926  4.3545  -1.161477      6.468851 
1 1 1 18  -9  39 o 21.681  6.0586  105.043   36.546    105.043   36.546    0.0000    0.0000    21.681  6.0586  ?       ?       ?              ?        
1 1 1 18  -9  40 o 9.7124  3.1126  7.6392    15.205    15.237    31.424    5.3167    17.374    10.778  4.9156  8.6464  3.8199  2.132079       6.225294 
1 1 1 18  -8  0  o 153.620 6.3878  3191.34   262.839   3191.34   262.839   0.0000    0.0000    153.620 6.3878  ?       ?       ?              ?        
1 1 1 18  -8  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -8  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -8  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -8  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -8  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -8  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -8  7  o 125.797 2.7292  2127.58   91.910    2132.52   132.233   2122.97   127.840   125.931 3.9203  125.664 3.7981  0.2667084      5.458433 
1 1 1 18  -8  8  o 88.113  2.1263  1043.17   50.097    1027.07   72.686    1057.74   69.143    87.458  3.1028  88.769  2.9080  -1.310295      4.252578 
1 1 1 18  -8  9  o 105.570 2.3627  1497.70   66.731    1487.89   96.560    1506.67   92.325    105.230 3.4258  105.910 3.2546  -0.6791916     4.725335 
1 1 1 18  -8  10 o 111.690 2.4699  1676.13   73.826    1687.88   106.821   1665.38   102.148   112.057 3.5590  111.323 3.4258  0.7344437      4.939872 
1 1 1 18  -8  11 o 131.305 2.7478  2316.59   96.275    2606.02   139.038   2050.00   133.441   139.198 3.7292  123.413 4.0368  15.78439       5.495673 
1 1 1 18  -8  12 o 44.167  1.7384  261.677   20.374    270.857   30.660    254.419   27.264    44.851  2.5628  43.483  2.3496  1.367481       3.476832 
1 1 1 18  -8  13 o 73.553  2.0133  725.445   39.602    746.719   57.960    706.816   54.237    74.559  2.9023  72.548  2.7911  2.011360       4.026615 
1 1 1 18  -8  14 o 39.141  3.2897  207.479   34.169    0.0000    0.0000    207.479   34.169    ?       ?       39.141  3.2897  ?              ?        
1 1 1 18  -8  15 f 120.196 2.6850  1950.49   86.285    1864.01   123.869   2032.01   120.262   117.576 3.9333  122.816 3.6558  -5.240822      5.369902 
1 1 1 18  -8  16 o 77.979  2.1070  815.917   43.950    870.491   63.991    767.191   60.466    80.441  2.9700  75.516  2.9894  4.925835       4.213951 
1 1 1 18  -8  17 o 8.3908  2.2596  4.4423    7.2314    12.417    11.432    -0.8771   9.3367    10.090  3.4827  6.6913  2.8800  3.398903       4.519263 
1 1 1 18  -8  18 o 71.252  2.0659  682.372   39.358    708.557   57.773    659.696   53.763    72.517  2.9744  69.987  2.8680  2.530113       4.131843 
1 1 1 18  -8  19 o 46.526  1.8980  290.136   23.450    320.959   35.169    265.461   31.467    48.737  2.7048  44.316  2.6633  4.420898       3.795907 
1 1 1 18  -8  20 o 76.470  2.1382  787.727   43.705    824.943   64.383    755.920   59.520    78.129  3.0766  74.812  2.9703  3.316956       4.276477 
1 1 1 18  -8  21 o 82.753  2.2309  926.458   49.339    945.276   72.518    910.240   67.323    83.508  3.2421  81.998  3.0653  1.510017       4.461765 
1 1 1 18  -8  22 o 14.428  2.3273  32.661    10.071    3.7428    15.922    51.942    13.001    9.4138  3.8882  19.443  2.5587  -10.02886      4.654579 
1 1 1 18  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -8  24 o 62.918  2.0932  539.357   35.021    537.807   52.725    540.580   46.849    62.773  3.1359  63.063  2.7736  -0.2905731     4.186436 
1 1 1 18  -8  25 o 75.955  2.2184  787.445   44.934    812.452   67.177    767.198   60.447    76.979  3.2580  74.931  3.0118  2.048126       4.436840 
1 1 1 18  -8  26 o 26.675  2.3271  102.090   15.459    88.091    24.844    110.935   19.748    24.930  3.8442  28.421  2.6238  -3.491186      4.654261 
1 1 1 18  -8  27 o 8.1429  2.3880  2.7465    8.5819    -6.4682   15.146    7.1040    10.415    7.7536  3.4863  8.5322  3.2642  -0.7785826     4.775917 
1 1 1 18  -8  28 o 43.434  2.1035  260.408   23.917    264.661   37.462    257.482   31.075    43.609  3.2302  43.258  2.6953  0.3503914      4.207022 
1 1 1 18  -8  29 o 30.198  2.2462  123.578   17.520    150.940   28.568    107.083   22.181    32.753  3.3015  27.643  3.0465  5.110126       4.492311 
1 1 1 18  -8  30 o 28.794  2.3995  118.531   17.547    116.165   28.322    120.005   22.354    28.325  3.8314  29.262  2.8898  -0.9374027     4.799015 
1 1 1 18  -8  31 o 20.440  2.8279  56.793    14.462    88.185    24.913    40.839    17.761    24.431  3.9412  16.449  4.0566  7.982084       5.655889 
1 1 1 18  -8  32 o 10.906  3.1022  10.932    11.860    15.784    25.676    9.6152    13.373    12.316  4.9943  9.4967  3.6814  2.819320       6.204491 
1 1 1 18  -8  33 o 16.311  3.0347  45.739    14.169    23.867    24.276    57.040    17.450    13.070  4.9875  19.551  3.4587  -6.481396      6.069389 
1 1 1 18  -8  34 o 16.196  3.1367  47.159    15.076    21.834    26.974    58.664    18.181    12.784  5.1417  19.608  3.5941  -6.824711      6.273311 
1 1 1 18  -8  35 o 8.8305  2.7626  1.1307    11.284    2.9843    22.807    0.5300    12.984    9.9652  4.3908  7.6959  3.3538  2.269327       5.525163 
1 1 1 18  -8  36 o 12.545  3.3069  23.781    13.957    30.618    25.482    20.850    16.682    13.474  5.1175  11.616  4.1897  1.857993       6.613793 
1 1 1 18  -8  37 o 17.309  3.5849  53.998    16.851    58.240    30.968    52.213    20.085    17.054  5.7351  17.565  4.3031  -0.5109158     7.169898 
1 1 1 18  -8  38 o 19.864  3.6539  75.185    18.702    75.494    34.924    75.061    22.144    18.513  6.0864  21.215  4.0446  -2.702118      7.307706 
1 1 1 18  -8  39 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  7  o 107.205 2.9212  1528.93   80.467    1487.33   99.870    1605.91   135.854   105.212 3.5439  109.198 4.6448  -3.986031      5.842366 
1 1 1 18  -7  8  o 28.747  1.5621  109.228   11.767    137.985   18.009    87.804    15.544    32.010  2.1123  25.484  2.3020  6.526337       3.124298 
1 1 1 18  -7  9  o 208.936 4.0742  5898.90   227.989   5952.25   324.941   5847.17   319.967   209.860 5.7808  208.012 5.7429  1.848389       8.148477 
1 1 1 18  -7  10 o 125.824 2.7177  2133.02   91.419    2042.53   131.517   2217.62   127.164   123.218 3.9849  128.431 3.6966  -5.212914      5.435497 
1 1 1 18  -7  11 o 70.091  1.9500  657.162   36.545    709.397   53.444    611.291   50.083    72.698  2.7447  67.483  2.7708  5.215347       3.900069 
1 1 1 18  -7  12 o 40.427  1.8303  225.314   19.225    179.624   28.315    264.389   26.186    36.457  2.9243  44.397  2.2020  -7.940582      3.660678 
1 1 1 18  -7  13 o 57.227  2.3887  450.183   34.334    469.454   42.538    414.161   58.159    59.132  2.6857  55.322  3.9510  3.810390       4.777372 
1 1 1 18  -7  14 o 83.381  2.6813  929.762   55.387    958.279   99.677    917.024   66.619    84.157  4.4377  82.605  3.0109  1.552170       5.362700 
1 1 1 18  -7  15 o 207.527 4.1105  5851.65   228.469   5949.11   325.278   5756.77   320.972   209.237 5.8040  205.817 5.8223  3.419647       8.221064 
1 1 1 18  -7  16 o 67.535  2.0128  612.052   36.347    633.741   53.317    593.221   49.680    68.645  2.8998  66.424  2.7923  2.220512       4.025687 
1 1 1 18  -7  17 o 61.830  1.9819  513.752   32.728    521.991   48.304    506.760   44.500    62.278  2.8957  61.382  2.7066  0.8963737      3.963703 
1 1 1 18  -7  18 o 24.374  2.5068  88.929    14.564    53.244    22.089    116.369   19.370    19.438  4.3511  29.311  2.4909  -9.872366      5.013596 
1 1 1 18  -7  19 o 15.416  2.4383  31.428    9.8542    47.830    15.698    20.761    12.659    18.549  3.2795  12.284  3.6092  6.265578       4.876607 
1 1 1 18  -7  20 o 96.153  2.3966  1249.72   61.640    1293.21   90.064    1211.41   84.542    97.707  3.4414  94.599  3.3365  3.108345       4.793295 
1 1 1 18  -7  21 f 31.355  2.0064  135.193   16.408    125.709   24.910    142.461   21.806    30.313  3.1122  32.397  2.5331  -2.084345      4.012766 
1 1 1 18  -7  22 o 82.583  2.2379  921.347   49.368    998.635   73.100    856.540   66.938    85.744  3.1829  79.423  3.1466  6.321548       4.475721 
1 1 1 18  -7  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  24 o 5.9057  1.8995  -7.8504   7.0306    -21.3731  11.693    -0.1931   8.7989    5.2347  2.5541  6.5767  2.8123  -1.341999      3.798988 
1 1 1 18  -7  25 o 26.282  2.1894  92.637    14.835    112.528   23.957    80.264    18.894    28.498  3.1935  24.066  2.9959  4.431181       4.378755 
1 1 1 18  -7  26 o 27.675  2.2521  107.521   15.909    101.440   25.176    111.563   20.527    26.876  3.5868  28.474  2.7246  -1.598030      4.504284 
1 1 1 18  -7  27 o 52.368  2.1241  379.865   29.186    365.850   44.985    390.052   38.354    51.383  3.2858  53.353  2.6926  -1.969803      4.248158 
1 1 1 18  -7  28 o 16.853  2.8163  41.595    12.098    40.412    20.508    42.227    14.982    16.541  4.5063  17.165  3.3791  -0.6233654     5.632502 
1 1 1 18  -7  29 o 20.301  2.8396  61.595    14.240    55.618    24.004    64.841    17.688    19.220  4.7015  21.383  3.1856  -2.162817      5.679141 
1 1 1 18  -7  30 o 18.484  2.9254  48.624    13.560    59.766    23.409    42.997    16.634    19.884  4.5002  17.085  3.7389  2.799023       5.850761 
1 1 1 18  -7  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -7  32 o 34.588  2.6253  181.014   22.215    157.860   37.155    193.897   27.715    32.158  4.4313  37.017  2.8164  -4.859371      5.250546 
1 1 1 18  -7  33 o 23.974  3.1237  94.950    17.800    75.963    30.915    104.366   21.770    21.143  5.4305  26.806  3.0886  -5.663361      6.247339 
1 1 1 18  -7  34 o 7.7720  2.3359  -4.5337   10.418    -44.5025  19.541    11.337    12.313    6.0518  3.0155  9.4921  3.5683  -3.440259      4.671804 
1 1 1 18  -7  35 o 11.213  3.1006  14.076    11.799    26.538    24.349    10.251    13.489    13.036  4.9900  9.3904  3.6815  3.645204       6.201113 
1 1 1 18  -7  36 o 18.231  3.3775  51.123    16.062    83.865    28.877    36.455    19.328    21.827  5.0410  14.635  4.4965  7.192711       6.754999 
1 1 1 18  -7  37 f 10.968  3.2017  13.175    13.427    23.353    27.246    9.9110    15.431    12.439  5.1062  9.4968  3.8641  2.941957       6.403435 
1 1 1 18  -7  38 o 11.703  3.0875  -1.2122   14.325    58.456    27.311    -23.8559  16.825    17.118  5.3593  6.2884  3.0672  10.83006       6.174901 
1 1 1 18  -7  39 o 11.511  3.3208  22.991    15.853    1.3552    38.218    27.487    17.422    10.721  5.0647  12.301  4.2964  -1.580108      6.641585 
1 1 1 18  -6  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  7  o 89.529  2.5384  1080.25   58.667    1089.44   73.893    1064.58   96.493    90.085  3.0624  88.972  4.0491  1.113167       5.076722 
1 1 1 18  -6  8  o 135.280 2.8138  2460.52   101.921   2479.44   146.348   2442.70   142.024   135.779 4.0241  134.781 3.9341  0.9971008      5.627630 
1 1 1 18  -6  9  o 41.518  1.6759  229.726   18.439    269.280   27.497    197.410   24.854    44.750  2.3019  38.286  2.4364  6.464260       3.351813 
1 1 1 18  -6  10 o 109.018 2.4884  1600.55   72.509    1514.71   103.959   1681.87   101.183   106.151 3.6564  111.886 3.3763  -5.734726      4.976799 
1 1 1 18  -6  11 o 64.681  1.9862  569.758   33.851    474.971   48.908    656.921   46.900    59.390  3.0852  69.972  2.5024  -10.58215      3.972443 
1 1 1 18  -6  12 o 31.257  1.7688  132.391   14.598    127.227   21.582    136.745   19.819    30.674  2.6530  31.841  2.3402  -1.166988      3.537668 
1 1 1 18  -6  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  14 o 153.709 3.1935  3187.69   131.453   3253.39   188.060   3124.92   183.818   155.255 4.5223  152.162 4.5102  3.093201       6.386941 
1 1 1 18  -6  15 o 111.378 2.5511  1668.11   76.033    1772.48   109.827   1572.05   105.365   114.725 3.5741  108.032 3.6413  6.692253       5.102243 
1 1 1 18  -6  16 o 26.110  1.9663  92.612    13.395    93.167    20.484    92.197    17.705    26.150  2.9777  26.069  2.5689  0.8080292E-01  3.932677 
1 1 1 18  -6  17 o 55.379  2.0069  418.302   29.314    369.142   43.268    460.013   39.855    52.261  3.1049  58.496  2.5437  -6.234547      4.013872 
1 1 1 18  -6  18 o 82.556  2.2329  919.177   49.259    917.581   72.130    920.570   67.432    82.469  3.2654  82.642  3.0463  -0.1736298     4.465731 
1 1 1 18  -6  19 o 53.725  1.9556  385.970   27.957    434.775   41.890    346.775   37.540    56.800  2.7534  50.650  2.7777  6.150192       3.911139 
1 1 1 18  -6  20 o 45.520  1.9659  280.948   23.653    278.113   35.725    283.161   31.561    45.280  2.9620  45.759  2.5856  -0.4794922     3.931775 
1 1 1 18  -6  21 o 23.985  2.2290  76.207    13.152    119.545   20.775    47.219    16.991    29.639  2.6447  18.332  3.5888  11.30675       4.458061 
1 1 1 18  -6  22 o 68.998  4.6970  660.505   86.289    660.505   86.289    0.0000    0.0000    68.998  4.6970  ?       ?       ?              ?        
1 1 1 18  -6  23 o 25.678  2.2448  93.737    14.439    80.029    22.842    102.862   18.635    23.912  3.6848  27.445  2.5648  -3.533216      4.489508 
1 1 1 18  -6  24 o 70.795  2.1644  680.195   40.851    718.817   61.378    649.481   54.736    72.548  3.1587  69.042  2.9599  3.505829       4.328736 
1 1 1 18  -6  25 f 35.095  2.0862  168.967   19.051    171.006   30.064    167.599   24.626    35.185  3.2260  35.005  2.6460  0.1802940      4.172355 
1 1 1 18  -6  26 o 25.775  2.2483  88.345    14.827    115.041   24.285    72.478    18.722    28.772  3.2058  22.778  3.1532  5.993404       4.496613 
1 1 1 18  -6  27 o 42.434  2.1402  249.194   23.720    245.991   37.065    251.416   30.869    42.074  3.3159  42.795  2.7069  -0.7213287     4.280470 
1 1 1 18  -6  28 o 14.079  2.5971  31.495    11.752    -0.2256   20.111    47.944    14.482    9.7423  4.2099  18.415  3.0423  -8.673110      5.194107 
1 1 1 18  -6  29 o 45.535  2.1595  282.772   25.729    322.831   41.269    257.303   32.907    48.021  3.2273  43.048  2.8703  4.972466       4.319054 
1 1 1 18  -6  30 o 10.771  2.9247  12.406    11.123    13.877    20.262    11.772    13.307    11.524  4.5137  10.018  3.7205  1.506133       5.849441 
1 1 1 18  -6  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  32 o 6.5273  2.1924  -20.9398  8.6951    0.8278    16.988    -28.6671  10.122    8.8987  3.8572  4.1560  2.0854  4.742734       4.384866 
1 1 1 18  -6  33 o 12.572  3.1818  22.756    12.721    23.378    24.120    22.516    14.972    12.929  4.9624  12.215  3.9837  0.7139606      6.363602 
1 1 1 18  -6  34 o 27.442  2.9999  120.467   19.473    112.500   34.314    124.253   23.651    25.790  5.1477  29.094  3.0819  -3.303844      5.999750 
1 1 1 18  -6  35 o 11.862  3.1437  21.152    13.233    10.867    26.064    24.724    15.361    11.239  4.8241  12.484  4.0323  -1.244891      6.287425 
1 1 1 18  -6  36 f 18.350  3.3391  64.492    17.289    37.725    30.842    76.758    20.878    14.507  5.6000  22.193  3.6384  -7.686189      6.678152 
1 1 1 18  -6  37 o 10.083  2.8640  -17.4925  12.911    42.339    24.804    -39.7299  15.121    15.098  5.1323  5.0668  2.5433  10.03157       5.727939 
1 1 1 18  -6  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -6  39 o 14.283  3.3649  44.292    16.831    21.168    32.268    52.935    19.727    11.581  5.1563  16.984  4.3248  -5.403534      6.729860 
1 1 1 18  -5  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  7  o 4.5235  2.1321  -22.2130  1.3070    -7.5712   6.7015    -22.7919  1.3325    4.5235  2.1321  ?       ?       ?              ?        
1 1 1 18  -5  8  o 126.007 2.7158  2134.77   91.627    2122.80   131.195   2146.17   128.024   125.655 3.8981  126.359 3.7826  -0.7041550     5.431690 
1 1 1 18  -5  9  o 58.518  1.8415  458.888   28.843    473.908   41.743    445.165   39.900    59.432  2.6223  57.603  2.5860  1.829056       3.682921 
1 1 1 18  -5  10 o 93.943  2.2696  1183.95   57.068    1246.94   82.157    1125.22   79.331    96.357  3.1832  91.529  3.2359  4.828026       4.539169 
1 1 1 18  -5  11 o 175.461 3.5424  4152.98   166.467   4178.83   237.308   4127.94   233.575   175.992 5.0342  174.930 4.9851  1.062241       7.084817 
1 1 1 18  -5  12 o 63.034  2.0121  542.155   33.377    454.225   48.611    620.579   45.909    58.064  3.1373  68.004  2.5204  -9.940128      4.024298 
1 1 1 18  -5  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  14 o 176.238 3.5815  4200.80   169.033   4203.28   241.426   4198.41   236.740   176.272 5.1134  176.204 5.0161  0.6896973E-01  7.163003 
1 1 1 18  -5  15 o 18.537  2.2583  45.964    10.517    71.078    16.380    28.350    13.718    22.839  2.7319  14.235  3.5967  8.603949       4.516560 
1 1 1 18  -5  16 o 38.886  1.9177  205.936   19.607    191.649   29.469    217.284   26.263    37.630  2.9473  40.142  2.4544  -2.512074      3.835409 
1 1 1 18  -5  17 o 47.125  2.0206  305.633   24.864    257.077   37.066    345.354   33.525    43.563  3.1990  50.688  2.4693  -7.124695      4.041206 
1 1 1 18  -5  18 o 13.009  2.2342  24.640    9.4105    -2.0191   14.671    43.276    12.267    8.2816  3.5871  17.737  2.6643  -9.455791      4.468312 
1 1 1 18  -5  19 o 123.534 2.8141  2072.34   92.985    2051.86   134.719   2090.98   128.501   122.903 4.0924  124.165 3.8638  -1.261230      5.628226 
1 1 1 18  -5  20 o 87.104  2.2716  1020.14   52.787    1155.73   77.995    905.549   71.705    92.427  3.1505  81.781  3.2735  10.64583       4.543276 
1 1 1 18  -5  21 o 27.086  2.0499  97.436    14.402    123.176   22.632    79.920    18.670    30.046  2.8462  24.125  2.9508  5.921457       4.099755 
1 1 1 18  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -5  23 o 43.947  2.0192  262.801   23.347    267.268   36.064    259.579   30.633    44.210  3.0645  43.685  2.6302  0.5245056      4.038466 
1 1 1 18  -5  24 o 9.6014  2.5326  9.6598    9.0182    -0.6118   15.728    14.691    11.007    8.6970  3.7406  10.506  3.4152  -1.808725      5.065104 
1 1 1 18  -5  25 o 20.935  2.4608  60.265    12.961    68.313    21.386    55.593    16.295    21.950  3.7736  19.921  3.1593  2.029243       4.921501 
1 1 1 18  -5  26 o 34.899  2.0977  159.275   18.859    222.274   30.725    121.195   23.888    40.217  2.8711  29.580  3.0591  10.63685       4.195446 
1 1 1 18  -5  27 o 29.115  2.4032  122.424   17.320    105.877   28.316    132.316   21.893    27.230  4.0017  31.001  2.6624  -3.770670      4.806474 
1 1 1 18  -5  28 o 29.542  2.4009  124.646   17.718    116.541   29.277    129.329   22.256    28.519  3.9377  30.565  2.7479  -2.045317      4.801738 
1 1 1 18  -5  29 o 7.5794  2.3860  -3.5188   9.5299    -10.9249  16.599    0.1224    11.639    7.6404  3.5172  7.5183  3.2253  0.1220345      4.772089 
1 1 1 18  -5  30 o 30.406  4.0042  135.188   31.818    135.188   31.818    0.0000    0.0000    30.406  4.0042  ?       ?       ?              ?        
1 1 1 18  -5  31 f 31.076  2.5719  139.904   20.091    143.163   33.556    138.083   25.083    30.994  4.1460  31.158  3.0445  -0.1634884     5.143709 
1 1 1 18  -5  32 o 22.528  3.1113  86.056    17.041    56.667    28.686    102.084   21.184    18.413  5.4394  26.642  3.0221  -8.228464      6.222579 
1 1 1 18  -5  33 o 25.418  2.8361  92.850    17.736    121.308   31.619    79.786    21.423    27.799  4.3925  23.037  3.5888  4.761141       5.672157 
1 1 1 18  -5  34 o 24.236  3.1098  90.648    18.061    104.400   32.981    84.757    21.585    24.805  5.1333  23.666  3.5117  1.138630       6.219530 
1 1 1 18  -5  35 o 24.462  3.1549  91.851    18.515    115.444   34.224    82.088    22.014    25.898  5.1152  23.026  3.6944  2.871931       6.309822 
1 1 1 18  -5  36 o 19.147  3.5773  58.835    17.125    84.198    32.781    49.315    20.083    21.139  5.6717  17.156  4.3611  3.983261       7.154539 
1 1 1 18  -5  37 o 25.306  3.6020  119.635   21.594    103.076   39.299    126.797   25.846    22.035  6.3262  28.577  3.4462  -6.541401      7.203981 
1 1 1 18  -5  38 o 27.186  3.5948  119.054   25.535    0.0000    0.0000    119.054   25.535    ?       ?       27.186  3.5948  ?              ?        
1 1 1 18  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  6  o 141.653 4.3105  2763.10   158.068   3563.85   224.784   1979.80   222.320   162.606 5.1611  120.701 6.9054  41.90516       8.620959 
1 1 1 18  -4  7  o 21.937  1.8869  68.282    10.290    47.817    15.084    86.091    14.072    18.620  3.1360  25.253  2.0994  -6.633327      3.773826 
1 1 1 18  -4  8  o 27.881  1.7594  105.610   12.901    100.159   19.130    110.157   17.472    27.194  2.6605  28.568  2.3028  -1.374584      3.518713 
1 1 1 18  -4  9  o 136.579 2.9022  2507.82   106.133   2600.74   151.997   2419.41   148.263   139.050 4.0811  134.108 4.1275  4.941803       5.804433 
1 1 1 18  -4  10 o 92.123  2.3199  1146.33   56.918    1036.68   82.051    1248.05   79.024    87.835  3.4876  96.411  3.0602  -8.576683      4.639823 
1 1 1 18  -4  11 o 67.766  2.0047  618.222   36.254    591.651   52.891    641.771   49.792    66.381  2.9747  69.151  2.6882  -2.770882      4.009446 
1 1 1 18  -4  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  13 o 129.564 2.8535  2262.76   98.925    2213.14   142.198   2309.29   137.712   128.166 4.1422  130.961 3.9259  -2.794189      5.707075 
1 1 1 18  -4  14 o 51.172  1.8817  349.329   25.628    394.569   38.175    312.212   34.578    54.205  2.6293  48.139  2.6925  6.065517       3.763385 
1 1 1 18  -4  15 o 136.861 2.9501  2526.80   108.098   2590.30   155.650   2467.64   150.242   138.515 4.1953  135.208 4.1486  3.307251       5.900124 
1 1 1 18  -4  16 o 49.211  1.9356  326.854   25.256    324.578   37.795    328.691   33.948    49.036  2.8904  49.386  2.5753  -0.3506508     3.871224 
1 1 1 18  -4  17 o 94.941  2.4222  1221.38   61.296    1145.18   89.374    1289.06   84.227    92.092  3.6233  97.791  3.2156  -5.699158      4.844413 
1 1 1 18  -4  18 o 19.236  2.4618  56.418    11.575    33.464    18.192    72.031    15.003    15.464  4.2573  23.008  2.4734  -7.544260      4.923664 
1 1 1 18  -4  19 o 55.372  2.0355  418.065   29.750    385.248   44.566    444.443   39.955    53.310  3.1349  57.434  2.5973  -4.124020      4.071028 
1 1 1 18  -4  20 o 74.022  2.1760  740.525   42.969    749.888   63.869    732.784   58.077    74.418  3.2043  73.627  2.9450  0.7909622      4.352015 
1 1 1 18  -4  21 o 16.048  5.3450  34.229    26.902    34.229    26.902    0.0000    0.0000    16.048  5.3450  ?       ?       ?              ?        
1 1 1 18  -4  22 o 50.026  2.0456  341.635   26.971    333.353   41.111    347.893   35.736    49.425  3.1215  50.627  2.6445  -1.201733      4.091113 
1 1 1 18  -4  23 o 49.129  2.1112  334.987   27.035    295.743   41.331    364.334   35.742    46.410  3.3474  51.847  2.5737  -5.437477      4.222438 
1 1 1 18  -4  24 o 26.370  2.2553  97.319    15.104    92.142    24.103    100.667   19.382    25.657  3.6071  27.083  2.7082  -1.426096      4.510551 
1 1 1 18  -4  25 o 49.517  2.0604  330.336   26.926    375.766   41.913    298.412   35.136    52.342  3.0022  46.692  2.8227  5.650414       4.120764 
1 1 1 18  -4  26 o 33.557  2.1994  157.012   18.975    150.750   30.250    161.074   24.365    32.857  3.4908  34.258  2.6766  -1.401012      4.398838 
1 1 1 18  -4  27 o 46.384  2.2328  302.861   26.785    275.122   41.941    321.968   34.809    44.343  3.5612  48.425  2.6944  -4.081615      4.465636 
1 1 1 18  -4  28 o 8.4131  2.5793  -0.3576   9.9448    0.3433    18.154    -0.6581   11.887    9.3324  4.0163  7.4939  3.2374  1.838512       5.158639 
1 1 1 18  -4  29 o 13.850  3.0392  27.853    12.107    27.069    20.664    28.263    14.940    13.831  4.6846  13.868  3.8732  -0.3753948E-01 6.078425 
1 1 1 18  -4  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  31 o 25.957  2.6345  90.567    16.973    134.098   29.844    69.757    20.635    30.194  3.7725  21.719  3.6783  8.475191       5.268949 
1 1 1 18  -4  32 o 9.1732  2.7482  4.6379    11.118    -0.6680   20.438    6.8682    13.250    9.4281  4.1552  8.9182  3.5978  0.5098667      5.496368 
1 1 1 18  -4  33 o 25.155  2.9507  97.168    17.998    102.400   31.546    94.642    21.915    25.023  4.8820  25.286  3.3156  -0.2623539     5.901440 
1 1 1 18  -4  34 o 21.845  3.0810  66.961    16.474    112.981   30.388    47.805    19.605    26.520  4.4346  17.171  4.2784  9.348839       6.161965 
1 1 1 18  -4  35 o 11.115  3.1510  15.005    13.335    17.248    24.688    14.081    15.846    11.821  4.8575  10.408  4.0150  1.413257       6.302041 
1 1 1 18  -4  36 o 14.564  3.5162  36.633    15.727    38.587    28.870    35.808    18.754    14.591  5.4679  14.537  4.4223  0.5394650E-01  7.032408 
1 1 1 18  -4  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -4  38 o 17.280  3.7821  57.741    17.741    74.144    35.034    52.084    20.574    17.678  6.0971  16.882  4.4768  0.7957954      7.564147 
1 1 1 18  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -3  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -3  5  o 232.861 7.2584  7692.94   426.244   10533.18  604.323   4881.17   601.289   278.314 8.1067  187.409 12.042  90.90485       14.51675 
1 1 1 18  -3  6  o 125.302 2.7308  2109.68   91.641    2145.75   130.773   2074.87   128.457   126.354 3.8640  124.249 3.8599  2.104034       5.461639 
1 1 1 18  -3  7  o 76.353  2.1872  795.638   43.950    648.990   63.739    928.561   60.683    69.514  3.4233  83.192  2.7233  -13.67876      4.374403 
1 1 1 18  -3  8  o 100.930 2.4714  1377.98   66.340    1230.00   95.816    1514.23   91.941    95.667  3.7393  106.193 3.2324  -10.52665      4.942720 
1 1 1 18  -3  9  o 102.923 2.4594  1426.33   67.632    1364.28   97.762    1483.28   93.661    100.757 3.6225  105.088 3.3275  -4.330650      4.918769 
1 1 1 18  -3  10 o 191.919 3.8531  4977.11   197.916   4817.14   282.215   5131.92   277.634   188.845 5.5794  194.994 5.3157  -6.149277      7.706257 
1 1 1 18  -3  11 o 48.065  1.8298  309.540   23.401    328.214   34.766    294.071   31.643    49.384  2.6379  46.746  2.5367  2.637753       3.659650 
1 1 1 18  -3  12 o 114.616 3.1880  1767.40   91.472    1780.84   161.336   1761.03   111.045   114.804 5.2467  114.428 3.6231  0.3757019      6.376073 
1 1 1 18  -3  13 o 165.547 3.3901  3698.58   150.275   3820.07   215.376   3583.33   209.776   168.198 4.7807  162.895 4.8079  5.302933       6.780193 
1 1 1 18  -3  14 o 141.195 2.9686  2686.00   111.884   3004.11   161.428   2391.92   155.212   149.269 4.0376  133.121 4.3530  16.14728       5.937226 
1 1 1 18  -3  15 o 57.051  1.9546  435.492   29.759    460.223   44.424    415.359   40.082    58.508  2.8348  55.593  2.6918  2.914291       3.909144 
1 1 1 18  -3  16 o 94.322  2.3700  1197.35   59.774    1226.23   87.526    1172.11   81.828    95.373  3.4263  93.271  3.2754  2.102028       4.740043 
1 1 1 18  -3  17 o 80.225  2.2249  867.406   47.658    870.352   70.288    864.898   64.839    80.331  3.2667  80.120  3.0214  0.2112885      4.449723 
1 1 1 18  -3  18 o 48.222  1.9990  317.329   25.351    294.163   38.299    335.394   33.821    46.591  3.0865  49.852  2.5413  -3.261028      3.998089 
1 1 1 18  -3  19 o 38.892  1.9931  206.907   20.259    194.689   31.140    215.874   26.677    37.832  3.1003  39.952  2.5056  -2.120491      3.986231 
1 1 1 18  -3  20 o 63.678  2.0768  547.762   35.223    554.725   52.827    542.190   47.261    64.010  3.0812  63.345  2.7855  0.6646957      4.153667 
1 1 1 18  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -3  22 o 44.740  2.0079  270.002   23.706    290.986   36.648    254.906   31.085    46.189  2.9781  43.292  2.6941  2.897018       4.015893 
1 1 1 18  -3  23 o 35.109  2.1172  171.048   19.222    158.746   30.039    179.578   25.013    33.918  3.3503  36.301  2.5895  -2.383339      4.234401 
1 1 1 18  -3  24 o 21.294  2.4135  61.769    12.971    72.150    21.376    55.719    16.320    22.630  3.6508  19.958  3.1579  2.672001       4.827065 
1 1 1 18  -3  25 o 27.275  2.1947  99.150    15.414    124.664   25.098    83.700    19.531    29.994  3.1721  24.556  3.0340  5.438263       4.389498 
1 1 1 18  -3  26 o 51.120  2.1651  361.528   28.976    352.581   45.089    367.822   37.818    50.431  3.3572  51.808  2.7350  -1.376564      4.330219 
1 1 1 18  -3  27 o 48.641  2.1721  325.537   27.689    339.087   43.603    316.381   35.844    49.354  3.3177  47.927  2.8044  1.426971       4.344156 
1 1 1 18  -3  28 o 25.899  2.5538  97.883    16.350    87.698    26.718    103.981   20.673    24.493  4.2253  27.305  2.8696  -2.812534      5.107652 
1 1 1 18  -3  29 o 52.008  6.0574  424.875   82.800    424.875   82.800    0.0000    0.0000    52.008  6.0574  ?       ?       ?              ?        
1 1 1 18  -3  30 o 11.931  3.1029  18.277    12.429    16.794    22.511    18.927    14.908    12.192  4.7625  11.670  3.9789  0.5229416      6.205897 
1 1 1 18  -3  31 o 15.335  3.2387  35.892    13.720    38.661    24.130    34.569    16.678    15.644  5.0540  15.026  4.0514  0.6181011      6.477419 
1 1 1 18  -3  32 o 18.836  3.2286  58.346    15.572    50.743    27.348    61.994    18.943    17.357  5.3512  20.314  3.6139  -2.956715      6.457204 
1 1 1 18  -3  33 o 9.3985  2.8631  3.5974    11.246    8.4966    23.389    2.1242    12.825    10.831  4.6071  7.9662  3.4006  2.864505       5.726210 
1 1 1 18  -3  34 o 11.875  3.2003  19.894    13.619    18.022    24.249    20.756    16.460    11.981  4.8553  11.769  4.1705  0.2127819      6.400609 
1 1 1 18  -3  35 o 23.191  3.4465  97.905    19.355    74.030    34.912    108.498   23.256    19.515  6.0511  26.866  3.3011  -7.351545      6.892970 
1 1 1 18  -3  36 o 21.504  3.5942  81.277    19.122    86.513    35.141    79.074    22.792    20.857  5.9805  22.151  3.9882  -1.293667      7.188363 
1 1 1 18  -3  37 o 18.262  3.9408  62.204    18.976    82.177    39.049    56.029    21.712    18.764  6.4390  17.760  4.5451  1.003532       7.881559 
1 1 1 18  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -2  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -2  4  o 133.874 2.8688  2408.88   102.854   2426.83   146.991   2391.66   143.970   134.359 4.0845  133.389 4.0296  0.9702148      5.737645 
1 1 1 18  -2  5  o 62.107  1.8982  521.166   31.349    466.456   45.391    571.065   43.349    58.960  2.8742  65.254  2.4802  -6.293091      3.796385 
1 1 1 18  -2  6  o 94.643  2.3555  1208.34   59.432    1106.71   85.642    1302.76   82.544    90.772  3.5225  98.515  3.1282  -7.743027      4.710988 
1 1 1 18  -2  7  o 79.048  2.6744  839.636   52.079    844.716   94.066    837.391   62.539    79.105  4.4577  78.991  2.9559  0.1143036      5.348713 
1 1 1 18  -2  8  o 198.133 3.9160  5298.11   207.809   5372.94   294.085   5223.49   293.688   199.541 5.5024  196.727 5.5736  2.814026       7.832062 
1 1 1 18  -2  9  o 247.930 4.8042  8332.35   319.034   8339.79   451.259   8324.91   451.106   248.041 6.7922  247.818 6.7960  0.2230988      9.608367 
1 1 1 18  -2  10 o 65.046  1.9139  567.789   33.344    565.588   47.028    570.014   47.284    64.920  2.7046  65.173  2.7087  -0.2533112     3.827758 
1 1 1 18  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -2  12 o 174.288 3.4411  4100.55   160.629   4041.65   226.891   4159.73   227.439   173.025 4.8957  175.551 4.8370  -2.525909      6.882183 
1 1 1 18  -2  13 o 78.428  2.0587  826.356   43.236    801.342   60.845    851.872   61.451    77.227  2.9415  79.629  2.8811  -2.402901      4.117427 
1 1 1 18  -2  14 o 109.459 2.5320  1613.94   74.220    1643.54   104.711   1584.06   105.216   110.475 3.5387  108.443 3.6223  2.031654       5.063937 
1 1 1 18  -2  15 f 111.053 2.5669  1662.80   76.351    1646.61   107.675   1679.18   108.281   110.508 3.6378  111.598 3.6225  -1.090668      5.133766 
1 1 1 18  -2  16 o 62.627  1.9224  527.768   32.237    537.318   45.312    517.980   45.873    63.205  2.6766  62.049  2.7602  1.156231       3.844796 
1 1 1 18  -2  17 o 68.555  2.0125  633.111   36.952    637.255   51.998    628.883   52.521    68.785  2.8223  68.325  2.8699  0.4598770      4.025084 
1 1 1 18  -2  18 o 61.540  1.9373  510.406   31.916    488.406   44.856    532.964   45.422    60.191  2.7823  62.889  2.6965  -2.698280      3.874573 
1 1 1 18  -2  19 o 43.186  1.8078  252.228   20.808    242.104   29.160    262.733   29.701    42.295  2.5864  44.077  2.5264  -1.781773      3.615523 
1 1 1 18  -2  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -2  21 o 30.504  1.8386  126.657   14.838    115.009   20.670    139.039   21.312    29.030  2.6888  31.978  2.5083  -2.947275      3.677127 
1 1 1 18  -2  22 o 10.729  2.7210  13.603    9.1496    11.009    18.220    14.478    10.580    11.044  4.2927  10.415  3.3447  0.6281853      5.441923 
1 1 1 18  -2  23 o 52.661  2.1338  383.382   29.417    351.078   45.072    407.353   38.827    50.545  3.3482  54.777  2.6463  -4.232128      4.267674 
1 1 1 18  -2  24 o 7.9916  2.3932  1.3702    8.4741    -0.7001   14.749    2.3905    10.354    8.4023  3.6180  7.5810  3.1336  0.8213639      4.786425 
1 1 1 18  -2  25 o 61.621  2.1911  518.750   35.703    539.391   55.073    503.787   46.892    62.537  3.2996  60.704  2.8840  1.832447       4.382276 
1 1 1 18  -2  26 o 49.070  2.2019  334.014   28.189    325.873   44.237    339.580   36.577    48.400  3.4346  49.740  2.7562  -1.340031      4.403803 
1 1 1 18  -2  27 o 16.154  2.9410  34.666    12.264    51.804    21.796    26.727    14.835    18.712  4.4193  13.596  3.8818  5.116650       5.882004 
1 1 1 18  -2  28 o 42.312  2.2535  248.586   24.770    261.237   39.826    240.605   31.632    43.005  3.4876  41.620  2.8548  1.384495       4.506984 
1 1 1 18  -2  29 o 11.270  3.8107  17.409    13.674    0.0000    0.0000    17.409    13.674    ?       ?       11.270  3.8107  ?              ?        
1 1 1 18  -2  30 o 29.223  2.5853  112.952   18.658    182.635   32.034    77.175    22.954    35.647  3.3961  22.798  3.8990  12.84899       5.170686 
1 1 1 18  -2  31 o 7.9902  2.5474  -3.8766   10.630    -6.6725   19.685    -2.7256   12.631    8.6829  3.9327  7.2976  3.2388  1.385301       5.094714 
1 1 1 18  -2  32 o 22.812  3.1381  83.283    17.447    77.930    30.136    85.982    21.397    21.536  5.2678  24.089  3.4117  -2.553226      6.276105 
1 1 1 18  -2  33 o 18.556  3.2996  58.789    15.901    49.412    28.466    63.041    19.170    16.788  5.4938  20.324  3.6560  -3.535810      6.599116 
1 1 1 18  -2  34 o 17.795  3.1985  60.798    16.710    22.643    31.091    76.295    19.815    13.093  5.4227  22.498  3.3938  -9.404337      6.397099 
1 1 1 18  -2  35 o 25.987  3.4533  119.247   21.050    100.299   37.696    127.833   25.375    22.838  6.0616  29.135  3.3104  -6.297020      6.906633 
1 1 1 18  -2  36 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -2  37 o 10.054  3.0727  10.289    14.490    -1.7879   29.272    14.209    16.676    9.9673  4.6174  10.140  4.0554  -0.1730070     6.145404 
1 1 1 18  -1  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -1  1  o 157.537 4.0292  3390.00   158.295   3469.49   192.885   3226.01   277.028   160.609 4.4837  154.464 6.6959  6.144882       8.058420 
1 1 1 18  -1  2  o 48.748  1.6541  318.582   21.593    309.098   30.334    328.324   30.746    48.013  2.3588  49.484  2.3197  -1.471649      3.308265 
1 1 1 18  -1  3  o 124.530 2.6585  2083.86   88.650    2137.11   125.195   2030.31   125.545   126.132 3.7057  122.929 3.8129  3.202766       5.317020 
1 1 1 18  -1  4  o 70.318  1.8564  663.274   34.961    666.206   49.150    660.271   49.740    70.476  2.6037  70.160  2.6469  0.3164368      3.712840 
1 1 1 18  -1  5  f 109.086 2.4564  1598.65   71.748    1629.83   100.836   1566.68   102.110   110.169 3.4172  108.004 3.5297  2.164963       4.912857 
1 1 1 18  -1  6  o 195.185 3.8671  5138.00   202.170   5099.75   285.439   5176.50   286.387   194.453 5.4804  195.917 5.4575  -1.463409      7.734249 
1 1 1 18  -1  7  o 125.444 2.7574  2115.25   92.650    2110.20   130.956   2120.31   131.098   125.294 3.9022  125.594 3.8970  -0.3004150     5.514873 
1 1 1 18  -1  8  o 100.472 2.3788  1355.81   64.014    1367.55   90.620    1344.12   90.440    100.908 3.3529  100.037 3.3753  0.8701248      4.757522 
1 1 1 18  -1  9  o 42.261  1.7379  240.641   19.556    225.684   27.675    255.558   27.638    40.937  2.5365  43.586  2.3764  -2.648540      3.475795 
1 1 1 18  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -1  11 o 164.290 3.3326  3640.33   146.643   3683.09   207.383   3597.58   207.386   165.261 4.6850  163.318 4.7409  1.943298       6.665224 
1 1 1 18  -1  12 o 65.243  1.9106  571.587   33.380    555.250   47.085    588.094   47.330    64.304  2.7337  66.183  2.6699  -1.878548      3.821235 
1 1 1 18  -1  13 o 35.795  1.7270  172.867   16.451    177.849   23.204    167.831   23.327    36.320  2.3988  35.269  2.4852  1.051182       3.454022 
1 1 1 18  -1  14 o 110.714 2.5380  1651.63   75.263    1649.24   106.157   1654.05   106.720   110.634 3.5824  110.793 3.5962  -0.1584930     5.076033 
1 1 1 18  -1  15 o 64.342  1.9428  556.760   33.446    522.536   46.940    592.054   47.667    62.327  2.8117  66.357  2.6819  -4.029602      3.885655 
1 1 1 18  -1  16 o 133.985 2.8786  2430.18   103.306   2421.29   145.754   2439.14   146.443   133.740 4.0688  134.230 4.0731  -0.4906158     5.757253 
1 1 1 18  -1  17 o 77.003  2.1111  800.197   43.504    833.566   61.299    766.334   61.750    78.635  2.9104  75.371  3.0588  3.263649       4.222106 
1 1 1 18  -1  18 f 8.8137  2.1130  8.7483    6.4548    1.4767    9.4173    15.192    8.8648    7.1427  2.9734  10.485  3.0030  -3.342106      4.226041 
1 1 1 18  -1  19 o 71.458  3.8788  697.361   73.961    697.361   73.961    0.0000    0.0000    71.458  3.8788  ?       ?       ?              ?        
1 1 1 18  -1  20 o 17.082  2.1445  40.704    9.4515    39.880    13.345    41.532    13.388    16.899  3.0610  17.265  3.0041  -0.3663464     4.288904 
1 1 1 18  -1  21 o 35.669  1.8346  173.155   17.397    175.966   24.313    170.205   24.903    35.979  2.5392  35.359  2.6487  0.6200027      3.669213 
1 1 1 18  -1  22 o 25.945  1.9348  92.713    13.174    100.445   18.393    84.567    18.877    27.109  2.5634  24.780  2.8988  2.329027       3.869690 
1 1 1 18  -1  23 o 31.579  1.8818  136.352   15.766    133.332   22.079    139.494   22.520    31.219  2.6660  31.940  2.6565  -0.7206478     3.763584 
1 1 1 18  -1  24 o 71.755  2.1198  703.819   40.740    706.753   57.385    700.839   57.848    71.915  2.9791  71.595  3.0166  0.3196335      4.239685 
1 1 1 18  -1  25 o 55.524  1.9713  421.887   29.262    424.295   41.084    419.408   41.688    55.733  2.7522  55.316  2.8231  0.4171333      3.942597 
1 1 1 18  -1  26 o 63.834  2.0770  560.088   35.508    548.345   49.898    572.135   50.541    63.149  2.9501  64.519  2.9246  -1.369747      4.154050 
1 1 1 18  -1  27 o 47.901  1.9782  316.969   25.268    314.992   35.430    319.015   36.046    47.757  2.7818  48.045  2.8133  -0.2885475     3.956417 
1 1 1 18  -1  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  -1  29 o 14.831  3.1170  27.769    12.828    51.046    23.416    17.787    15.334    18.165  4.7565  11.496  4.0298  6.668560       6.234074 
1 1 1 18  -1  30 o 25.222  2.7170  87.508    17.065    121.592   29.687    70.687    20.855    28.588  3.9853  21.856  3.6942  6.732796       5.434097 
1 1 1 18  -1  31 o 21.686  3.0870  67.964    16.384    90.987    29.505    57.698    19.701    23.919  4.7726  19.453  3.9166  4.465479       6.173938 
1 1 1 18  -1  32 o 42.990  2.5137  269.947   27.392    288.509   46.488    260.075   33.902    43.518  4.0341  42.463  3.0001  1.055367       5.027407 
1 1 1 18  -1  33 o 24.055  3.1173  85.995    17.926    110.683   33.527    76.111    21.213    25.765  5.0386  22.345  3.6718  3.420351       6.234545 
1 1 1 18  -1  34 o 7.1478  2.4132  -11.7138  10.724    -26.7512  24.029    -7.9741   11.983    7.9327  3.8198  6.3630  2.9500  1.569623       4.826368 
1 1 1 18  -1  35 o 7.5543  3.6566  -27.2407  22.728    -27.2407  22.728    0.0000    0.0000    7.5543  3.6566  ?       ?       ?              ?        
1 1 1 18  -1  36 o 11.243  3.2609  14.444    14.041    29.098    27.508    9.2798    16.329    13.009  5.2064  9.4762  3.9277  3.532756       6.521750 
1 1 1 18  0   0  o 226.705 4.4188  6941.65   268.233   7122.06   378.438   6759.52   380.247   229.694 6.1511  223.715 6.3457  5.979401       8.837697 
1 1 1 18  0   1  o 171.692 3.4786  3969.42   159.908   4095.38   225.980   3843.09   226.309   174.436 4.8367  168.948 5.0010  5.487198       6.957258 
1 1 1 18  0   2  o 71.043  1.8984  676.992   36.123    686.688   51.182    667.370   50.988    71.551  2.6706  70.536  2.6988  1.014778       3.796828 
1 1 1 18  0   3  o 85.994  2.0625  992.247   47.505    997.307   66.986    987.129   67.379    86.215  2.9008  85.772  2.9329  0.4428177      4.125053 
1 1 1 18  0   4  o 70.422  1.8965  665.391   35.764    675.697   50.322    654.873   50.838    70.975  2.6470  69.870  2.7165  1.105148       3.792918 
1 1 1 18  0   5  o 98.535  2.3233  1303.79   61.304    1323.35   86.220    1283.80   87.183    99.285  3.2421  97.784  3.3287  1.501389       4.646686 
1 1 1 18  0   6  o 69.296  1.9987  644.559   37.083    660.258   52.181    628.541   52.709    70.151  2.7771  68.441  2.8753  1.710167       3.997435 
1 1 1 18  0   7  o 29.537  1.7344  117.852   13.584    111.642   19.139    124.156   19.282    28.741  2.5114  30.332  2.3928  -1.591274      3.468760 
1 1 1 18  0   8  o 73.481  2.8178  723.110   55.052    655.044   74.443    805.262   81.784    69.678  4.0056  77.284  3.9642  -7.606544      5.635585 
1 1 1 18  0   9  o 140.052 3.8978  2708.60   134.792   2490.90   237.882   2811.55   163.588   135.572 6.5509  144.533 4.2257  -8.960785      7.795574 
1 1 1 18  0   10 o 129.463 2.8477  2255.78   98.743    2286.60   139.724   2225.03   139.563   130.350 4.0019  128.576 4.0525  1.774750       5.695462 
1 1 1 18  0   11 o 136.275 2.9333  2501.91   107.041   2569.06   151.462   2434.90   151.297   138.112 4.0943  134.438 4.2017  3.674576       5.866640 
1 1 1 18  0   12 o 26.627  1.7798  96.052    12.539    98.335    17.704    93.755    17.761    26.952  2.4802  26.303  2.5533  0.6493549      3.559597 
1 1 1 18  0   13 f 128.924 2.7939  2241.68   96.472    2272.52   136.355   2210.78   136.510   129.818 3.9214  128.029 3.9808  1.788956       5.587862 
1 1 1 18  0   14 o 59.899  1.9187  482.303   30.779    472.114   43.345    492.666   43.714    59.259  2.7308  60.538  2.6959  -1.279064      3.837329 
1 1 1 18  0   15 o 121.996 2.7137  2011.16   88.668    2029.86   125.182   1992.33   125.610   122.572 3.8129  121.420 3.8623  1.152306       5.427339 
1 1 1 18  0   16 o 72.104  2.0464  700.427   39.510    676.504   55.592    724.844   56.162    70.854  2.9293  73.353  2.8585  -2.498604      4.092878 
1 1 1 18  0   17 o 57.854  1.9107  451.157   29.603    456.502   41.635    445.692   42.098    58.205  2.6706  57.504  2.7333  0.7016411      3.821373 
1 1 1 18  0   18 o 126.822 3.5579  2208.22   112.561   2204.38   136.439   2216.41   199.173   127.244 4.0032  126.400 5.8829  0.8440933      7.115795 
1 1 1 18  0   19 o 36.886  2.4398  188.645   21.543    180.983   39.459    191.898   25.713    36.157  4.1496  37.615  2.5675  -1.457943      4.879671 
1 1 1 18  0   20 f 65.691  2.0060  584.927   35.282    599.536   49.656    570.031   50.141    66.533  2.7864  64.849  2.8867  1.684341       4.012097 
1 1 1 18  0   21 o 22.498  1.9992  69.837    11.743    64.103    16.592    75.594    16.624    21.529  2.9552  23.468  2.6934  -1.938658      3.998492 
1 1 1 18  0   22 o 67.522  2.0478  620.516   37.023    634.132   52.114    606.641   52.607    68.287  2.8492  66.757  2.9421  1.530144       4.095611 
1 1 1 18  0   23 o 36.987  1.8950  186.992   18.640    189.855   26.184    184.049   26.542    37.287  2.6388  36.687  2.7205  0.5996704      3.790001 
1 1 1 18  0   24 o 25.044  2.0372  86.718    13.412    83.985    18.803    89.550    19.137    24.631  2.9060  25.458  2.8558  -0.8268166     4.074329 
1 1 1 18  0   25 o 26.049  2.0644  94.149    14.150    95.730    19.878    92.524    20.147    26.288  2.8697  25.809  2.9685  0.4786072      4.128823 
1 1 1 18  0   26 o 40.096  1.9569  221.609   20.858    206.532   29.139    237.450   29.869    38.665  2.8334  41.528  2.6999  -2.863205      3.913757 
1 1 1 18  0   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  0   28 o 13.197  2.6009  24.742    10.712    40.602    14.921    7.8767    15.387    16.685  3.4525  9.7086  3.8909  6.976253       5.201863 
1 1 1 18  0   29 o 30.214  2.0894  129.178   16.691    130.632   23.557    127.712   23.652    30.400  2.9293  30.028  2.9801  0.3717728      4.178723 
1 1 1 18  0   30 o 25.489  2.2502  93.889    15.025    94.955    21.147    92.803    21.352    25.660  3.1426  25.319  3.2213  0.3402042      4.500337 
1 1 1 18  0   31 o 12.115  2.7866  21.811    10.493    17.463    14.970    26.011    14.712    11.187  3.9759  13.042  3.9055  -1.855814      5.573214 
1 1 1 18  0   32 f 7.4852  2.2590  -5.8209   8.8939    -19.1843  11.930    10.902    13.345    5.3556  2.6057  9.6147  3.6910  -4.259061      4.518060 
1 1 1 18  0   33 o 9.0621  2.8218  1.1837    11.434    4.5737    23.671    0.1520    13.059    10.404  4.5314  7.7201  3.3640  2.683930       5.643546 
1 1 1 18  0   34 o 10.552  3.1830  4.0546    13.742    25.221    28.255    -2.5029   15.727    13.105  5.2655  7.9988  3.5777  5.106606       6.365951 
1 1 1 18  0   35 o 8.7003  3.6797  5.2014    14.779    0.0000    0.0000    5.2014    14.779    ?       ?       8.7003  3.6797  ?              ?        
1 1 1 18  0   36 o 11.270  3.3055  13.363    14.536    34.964    28.848    6.0130    16.828    13.526  5.3580  9.0134  3.8727  4.512497       6.611071 
1 1 1 18  1   0  o 88.085  2.1490  1041.36   50.686    1010.46   71.682    1072.25   71.679    86.775  3.0841  89.394  2.9936  -2.619255      4.298054 
1 1 1 18  1   1  o 128.813 2.7644  2229.42   95.377    2236.26   134.789   2222.55   134.979   129.012 3.9006  128.614 3.9182  0.3978729      5.528801 
1 1 1 18  1   2  o 110.015 2.4138  1625.01   71.127    1624.08   100.400   1625.94   100.779   109.984 3.4081  110.046 3.4190  -0.6217194E-01 4.827539 
1 1 1 18  1   3  o 95.507  2.2259  1224.40   56.936    1238.31   80.253    1210.31   80.789    96.055  3.1193  94.959  3.1763  1.095695       4.451831 
1 1 1 18  1   4  o 147.593 3.0333  2930.26   119.875   3001.24   169.046   2858.46   170.016   149.400 4.2244  145.785 4.3540  3.615067       6.066527 
1 1 1 18  1   5  o 149.948 3.0660  3024.21   123.118   2947.51   173.445   3102.10   174.794   148.026 4.3746  151.870 4.2970  -3.844086      6.131952 
1 1 1 18  1   6  o 194.274 3.8831  5091.48   202.037   4994.71   285.278   5188.86   286.171   192.411 5.5354  196.137 5.4472  -3.726776      7.766173 
1 1 1 18  1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  1   8  o 186.544 3.7624  4696.57   187.965   4611.15   265.920   4781.87   265.725   184.835 5.3713  188.253 5.2699  -3.417679      7.524808 
1 1 1 18  1   9  o 133.992 2.9208  2416.55   104.824   2408.56   148.426   2424.50   148.062   133.769 4.1425  134.214 4.1187  -0.4456329     5.841576 
1 1 1 18  1   10 o 81.289  2.1839  887.716   47.547    902.201   67.344    873.318   67.140    81.951  3.0680  80.626  3.1090  1.325790       4.367898 
1 1 1 18  1   11 o 137.875 2.9506  2562.26   108.961   2589.15   154.191   2535.44   153.996   138.601 4.1534  137.148 4.1921  1.453186       5.901207 
1 1 1 18  1   12 o 94.135  2.3194  1192.86   58.427    1251.94   82.680    1133.92   82.578    96.475  3.1996  91.795  3.3586  4.680206       4.638712 
1 1 1 18  1   13 o 26.943  1.8647  98.727    13.238    90.849    18.837    106.416   18.608    25.851  2.7632  28.035  2.5045  -2.183453      3.729330 
1 1 1 18  1   14 o 73.442  2.0468  726.044   40.248    748.428   56.871    703.583   56.968    74.582  2.8469  72.302  2.9417  2.280319       4.093660 
1 1 1 18  1   15 o 97.104  2.3473  1272.26   61.042    1244.23   86.111    1300.57   86.544    96.023  3.3481  98.186  3.2908  -2.162590      4.694541 
1 1 1 18  1   16 o 84.818  2.1972  971.008   49.914    978.197   70.419    963.748   70.761    85.137  3.0880  84.498  3.1265  0.6391830      4.394396 
1 1 1 18  1   17 o 72.485  2.6650  718.972   47.364    725.966   56.917    703.221   85.410    73.329  2.8979  71.642  4.4733  1.686508       5.329949 
1 1 1 18  1   18 o 29.929  2.3738  118.930   17.202    133.372   31.872    112.994   20.435    31.052  3.9194  28.807  2.6791  2.244963       4.747544 
1 1 1 18  1   19 o 56.028  1.9200  425.602   28.725    446.080   40.414    404.696   40.835    57.445  2.6266  54.611  2.8011  2.833500       3.839912 
1 1 1 18  1   20 o 41.024  1.8330  228.673   20.035    230.256   28.144    227.046   28.528    41.175  2.5647  40.873  2.6196  0.3015823      3.666060 
1 1 1 18  1   21 o 56.991  1.9486  440.869   29.745    440.582   41.872    441.161   42.262    56.975  2.7437  57.006  2.7678  -0.3081894E-01 3.897292 
1 1 1 18  1   22 o 31.274  1.8802  133.738   15.593    128.595   21.920    139.006   22.186    30.652  2.6974  31.896  2.6200  -1.244165      3.760374 
1 1 1 18  1   23 o 29.555  1.9419  119.965   15.164    110.705   21.259    129.558   21.637    28.360  2.8367  30.750  2.6529  -2.390079      3.883885 
1 1 1 18  1   24 o 45.880  1.9288  288.414   23.587    294.154   33.170    282.543   33.547    46.360  2.6827  45.400  2.7720  0.9602509      3.857575 
1 1 1 18  1   25 o 9.0368  2.3248  6.8578    8.1079    17.015    11.448    -3.3657   11.485    11.087  3.4695  6.9868  3.0952  4.100071       4.649506 
1 1 1 18  1   26 o 7.4803  3.2206  -0.3330   11.683    -0.3330   11.683    0.0000    0.0000    7.4803  3.2206  ?       ?       ?              ?        
1 1 1 18  1   27 o 11.786  2.7390  19.257    10.037    21.702    14.263    16.858    14.128    12.332  3.8749  11.240  3.8721  1.092981       5.477976 
1 1 1 18  1   28 o 21.549  2.4812  68.250    13.602    81.992    19.077    54.041    19.398    24.030  3.0313  19.068  3.9289  4.962408       4.962358 
1 1 1 18  1   29 o 25.045  2.2911  90.746    14.904    100.622   21.006    80.734    21.149    26.561  3.0055  23.530  3.4590  3.031179       4.582283 
1 1 1 18  1   30 o 14.809  2.8347  33.797    11.558    37.045    16.293    30.507    16.399    15.540  3.9158  14.079  4.0997  1.461705       5.669299 
1 1 1 18  1   31 o 28.178  2.2118  115.498   16.351    105.162   22.969    126.117   23.280    26.787  3.2692  29.568  2.9801  -2.781084      4.423655 
1 1 1 18  1   32 o 18.829  2.7514  55.029    13.440    43.871    18.735    66.860    19.291    16.603  4.2075  21.055  3.5466  -4.452234      5.502861 
1 1 1 18  1   33 o 25.464  2.4911  98.123    16.417    109.460   23.254    86.857    23.180    27.150  3.2631  23.779  3.7648  3.370226       4.982103 
1 1 1 18  1   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  1   35 o 5.1651  1.7915  -21.0829  8.4666    -17.6370  12.031    -24.4642  11.917    5.4156  2.6306  4.9146  2.4327  0.5009794      3.583040 
1 1 1 18  2   0  o 146.568 3.0531  2888.26   119.858   2875.01   169.386   2901.53   169.623   146.231 4.3246  146.906 4.3108  -0.6747437     6.106169 
1 1 1 18  2   1  o 139.640 2.9893  2621.42   111.796   2573.49   157.857   2669.65   158.350   138.355 4.2597  140.924 4.1951  -2.569351      5.978629 
1 1 1 18  2   2  o 118.331 2.5711  1880.67   81.489    1889.69   114.936   1871.56   115.551   118.618 3.6176  118.044 3.6546  0.5737686      5.142271 
1 1 1 18  2   3  o 107.396 2.4228  1549.37   69.661    1594.62   98.140    1503.42   98.894    108.983 3.3620  105.810 3.4894  3.172661       4.845545 
1 1 1 18  2   4  o 131.167 2.7985  2313.03   98.288    2364.13   138.490   2261.16   139.517   132.634 3.8983  129.700 4.0161  2.934372       5.596910 
1 1 1 18  2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  2   6  o 121.871 3.5401  2064.72   106.195   1841.89   185.989   2172.50   129.354   116.605 5.9750  127.136 3.7986  -10.53040      7.080274 
1 1 1 18  2   7  f 60.321  1.9602  488.594   31.645    510.048   44.686    467.012   44.818    61.653  2.7060  58.989  2.8366  2.664005       3.920319 
1 1 1 18  2   8  o 101.071 2.4104  1372.72   65.249    1391.69   92.356    1353.82   92.197    101.771 3.3881  100.372 3.4294  1.398338       4.820756 
1 1 1 18  2   9  o 150.310 3.1056  3044.42   125.028   3070.12   177.039   3018.85   176.596   150.946 4.3788  149.675 4.4050  1.271164       6.211110 
1 1 1 18  2   10 f 52.509  1.8830  370.730   26.420    386.866   37.538    354.891   37.190    53.681  2.6107  51.338  2.7142  2.342499       3.766036 
1 1 1 18  2   11 o 72.680  2.0395  709.870   39.702    718.992   56.275    700.831   56.021    73.146  2.8723  72.214  2.8963  0.9317780      4.079053 
1 1 1 18  2   12 o 145.142 3.1167  2847.96   121.123   2936.40   171.445   2759.83   171.142   147.412 4.3421  142.872 4.4722  4.539566       6.233358 
1 1 1 18  2   13 o 76.290  2.1023  783.289   42.958    788.776   60.723    777.791   60.781    76.559  2.9612  76.021  2.9850  0.5379639      4.204638 
1 1 1 18  2   14 o 21.635  1.9751  64.432    11.028    53.409    15.528    75.650    15.665    19.684  3.0432  23.586  2.5185  -3.901627      3.950187 
1 1 1 18  2   15 o 61.511  1.9371  509.635   31.915    508.398   45.046    510.882   45.223    61.436  2.7374  61.586  2.7415  -0.1493568     3.874221 
1 1 1 18  2   16 o 40.692  2.3252  220.250   23.004    212.939   27.303    238.140   42.709    39.671  2.5836  41.712  3.8667  -2.041481      4.650383 
1 1 1 18  2   17 o 37.910  2.2907  187.622   21.246    217.913   39.557    175.341   25.187    39.865  3.7486  35.954  2.6338  3.911911       4.581365 
1 1 1 18  2   18 o 51.070  1.8926  353.532   25.792    360.804   36.352    346.161   36.599    51.609  2.6386  50.531  2.7140  1.077477       3.785266 
1 1 1 18  2   19 o 37.143  1.8510  187.693   18.280    194.808   25.704    180.413   26.002    37.874  2.5486  36.413  2.6850  1.461021       3.701934 
1 1 1 18  2   20 o 15.917  2.2882  35.706    9.4233    41.174    13.541    30.571    13.122    17.153  3.0596  14.680  3.4034  2.472251       4.576496 
1 1 1 18  2   21 o 43.016  1.8877  253.067   21.502    284.561   30.392    221.504   30.425    45.764  2.4888  40.268  2.8390  5.495098       3.775426 
1 1 1 18  2   22 o 19.746  2.1859  54.753    11.024    43.398    15.385    66.737    15.805    17.505  3.4037  21.986  2.7437  -4.480389      4.371864 
1 1 1 18  2   23 o 45.873  1.9285  287.938   23.583    293.295   33.242    282.509   33.461    46.316  2.6912  45.429  2.7630  0.8874168      3.857037 
1 1 1 18  2   24 f 8.8343  2.3971  7.5815    7.9287    6.8533    11.958    8.1527    10.591    8.8608  3.4684  8.8079  3.3097  0.5294418E-01  4.794173 
1 1 1 18  2   25 o 38.967  1.9588  209.526   20.295    199.324   28.543    219.959   28.863    37.980  2.8260  39.954  2.7131  -1.973957      3.917572 
1 1 1 18  2   26 o 14.529  3.2296  30.585    12.891    26.836    26.590    31.737    14.739    14.339  5.2713  14.719  3.7330  -0.3799305     6.459252 
1 1 1 18  2   27 f 13.163  2.6399  25.271    10.095    16.589    14.373    33.722    14.182    11.179  3.9025  15.148  3.5563  -3.969244      5.279829 
1 1 1 18  2   28 o 35.763  2.0586  181.172   19.424    197.056   27.013    164.168   27.949    37.523  2.7059  34.002  3.1030  3.520840       4.117103 
1 1 1 18  2   29 o 36.853  2.0698  192.875   20.259    190.910   28.323    194.932   28.990    36.674  2.9071  37.031  2.9471  -0.3574753     4.139647 
1 1 1 18  2   30 o 7.3692  2.2732  -5.8629   9.1964    7.4211    13.223    -18.3068  12.798    9.0086  3.6082  5.7297  2.7661  3.278902       4.546469 
1 1 1 18  2   31 o 14.119  2.7234  30.533    11.402    45.519    16.170    15.714    16.080    17.312  3.6045  10.927  4.0836  6.384218       5.446842 
1 1 1 18  2   32 o 13.148  2.9586  26.843    12.045    19.230    17.208    34.157    16.867    11.625  4.2455  14.672  4.1217  -3.047250      5.917176 
1 1 1 18  2   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  2   34 o 13.989  2.9216  31.116    12.862    14.148    17.726    49.982    18.691    10.523  4.1901  17.454  4.0726  -6.930494      5.843192 
1 1 1 18  3   0  o 132.755 2.8494  2368.43   101.312   2393.91   143.160   2342.88   143.396   133.472 4.0044  132.037 4.0546  1.435867       5.698730 
1 1 1 18  3   1  o 129.408 2.7312  2250.00   94.665    2265.82   133.638   2234.07   134.117   129.866 3.8419  128.949 3.8831  0.9174805      5.462471 
1 1 1 18  3   2  o 157.644 4.5690  3355.36   192.743   3156.45   268.347   3567.33   277.019   152.801 6.5566  162.486 6.3651  -9.685028      9.138025 
1 1 1 18  3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  3   4  o 49.139  1.7964  324.610   23.573    338.476   33.197    310.508   33.480    50.237  2.4671  48.042  2.6117  2.195156       3.592705 
1 1 1 18  3   5  o 171.395 3.4548  3957.45   158.589   3882.66   223.557   4033.23   225.007   169.758 4.9167  173.031 4.8549  -3.273270      6.909688 
1 1 1 18  3   6  o 79.889  2.1464  856.773   45.927    850.231   64.633    863.445   65.274    79.581  3.0322  80.196  3.0387  -0.6156082     4.292812 
1 1 1 18  3   7  o 104.159 2.4345  1458.16   67.890    1405.36   95.799    1511.43   96.224    102.258 3.4976  106.059 3.3873  -3.800621      4.868983 
1 1 1 18  3   8  o 65.884  1.9712  582.838   34.779    595.542   49.180    570.129   49.191    66.604  2.7567  65.164  2.8183  1.440071       3.942403 
1 1 1 18  3   9  o 44.980  1.8212  272.487   21.849    275.351   30.946    269.640   30.851    45.218  2.5656  44.743  2.5853  0.4748230      3.642326 
1 1 1 18  3   10 o 95.524  2.3248  1227.43   59.482    1235.24   84.260    1219.68   83.981    95.827  3.2828  95.220  3.2928  0.6069641      4.649621 
1 1 1 18  3   11 o 133.665 2.9007  2411.62   103.848   2436.12   147.008   2387.21   146.719   134.347 4.0853  132.983 4.1191  1.363983       5.801447 
1 1 1 18  3   12 o 140.841 3.0509  2684.18   115.022   2797.94   162.908   2571.08   162.424   143.846 4.2282  137.837 4.3994  6.009460       6.101870 
1 1 1 18  3   13 o 48.348  1.8560  315.321   23.943    320.900   33.955    309.805   33.766    48.777  2.6085  47.919  2.6410  0.8575363      3.711985 
1 1 1 18  3   14 o 56.675  1.9059  432.494   28.929    441.182   41.022    423.898   40.802    57.244  2.6755  56.107  2.7150  1.136948       3.811771 
1 1 1 18  3   15 o 75.367  4.0165  773.631   80.789    773.631   80.789    0.0000    0.0000    75.367  4.0165  ?       ?       ?              ?        
1 1 1 18  3   16 o 30.671  1.8197  127.775   14.804    124.599   21.034    130.894   20.841    30.283  2.6190  31.058  2.5271  -0.7758846     3.639397 
1 1 1 18  3   17 o 58.447  1.9397  461.715   30.365    458.460   42.813    465.010   43.075    58.240  2.7445  58.655  2.7418  -0.4150848     3.879385 
1 1 1 18  3   18 o 36.607  1.8487  182.110   18.002    176.466   25.365    187.837   25.553    36.026  2.6471  37.188  2.5814  -1.161850      3.697415 
1 1 1 18  3   19 o 51.274  1.9112  357.159   26.154    376.509   36.859    337.536   37.117    52.733  2.6095  49.815  2.7930  2.918179       3.822377 
1 1 1 18  3   20 o 16.804  2.3044  39.799    9.9934    43.337    14.239    36.364    14.029    17.582  3.1387  16.026  3.3748  1.556070       4.608761 
1 1 1 18  3   21 o 35.134  1.9061  168.760   17.790    174.251   25.091    163.207   25.229    35.727  2.6407  34.542  2.7496  1.184635       3.812291 
1 1 1 18  3   22 o 30.315  1.9425  126.318   15.577    133.082   21.959    119.466   22.100    31.163  2.6561  29.467  2.8350  1.696030       3.884916 
1 1 1 18  3   23 o 10.631  2.3920  13.828    8.5917    2.0081    12.397    24.753    11.918    8.1113  3.3970  13.151  3.3686  -5.039480      4.784050 
1 1 1 18  3   24 o 41.969  1.9535  242.636   21.821    248.620   30.566    236.416   31.163    42.526  2.6974  41.412  2.8263  1.113159       3.906917 
1 1 1 18  3   25 o 46.671  2.8144  301.204   35.018    0.0000    0.0000    301.204   35.018    ?       ?       46.671  2.8144  ?              ?        
1 1 1 18  3   26 o 14.576  2.6015  30.839    11.035    13.570    15.468    48.736    15.747    10.755  4.0079  18.397  3.3178  -7.641595      5.202978 
1 1 1 18  3   27 o 32.328  2.1060  147.404   18.027    143.898   25.500    150.906   25.487    31.920  3.0184  32.737  2.9379  -0.8172684     4.212095 
1 1 1 18  3   28 o 40.204  2.0527  228.533   21.942    232.652   30.711    224.238   31.362    40.620  2.8405  39.788  2.9641  0.8323631      4.105434 
1 1 1 18  3   29 o 20.368  2.6041  62.178    13.646    54.732    19.221    69.747    19.377    18.978  3.9113  21.758  3.4392  -2.780064      5.208285 
1 1 1 18  3   30 o 42.361  2.1302  257.615   24.008    254.775   33.571    260.587   34.347    42.138  2.9939  42.583  3.0312  -0.4447441     4.260449 
1 1 1 18  3   31 o 18.043  2.8207  50.731    13.309    58.265    18.910    43.335    18.735    19.545  3.7485  16.542  4.2160  3.002789       5.641440 
1 1 1 18  3   32 o 15.985  4.3267  41.447    18.978    41.447    18.978    0.0000    0.0000    15.985  4.3267  ?       ?       ?              ?        
1 1 1 18  3   33 o 11.457  2.9245  19.625    11.511    22.174    16.671    17.302    15.914    11.944  4.2010  10.970  4.0698  0.9740677      5.849057 
1 1 1 18  3   34 o 7.9636  2.4852  0.3264    10.354    2.3947    15.192    -1.4678   14.149    8.3242  3.6277  7.6030  3.3976  0.7212410      4.970350 
1 1 1 18  4   0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  4   1  o 218.978 4.2330  6473.74   248.180   6253.75   350.322   6695.38   351.642   215.216 6.0772  222.739 5.8941  -7.523102      8.465951 
1 1 1 18  4   2  o 90.372  2.1870  1096.13   52.918    1057.03   74.475    1135.99   75.207    88.742  3.1332  92.002  3.0519  -3.260078      4.373927 
1 1 1 18  4   3  o 72.946  2.0013  715.652   38.983    776.770   54.979    653.859   55.282    76.092  2.6976  69.801  2.9569  6.291435       4.002505 
1 1 1 18  4   4  o 107.695 2.4814  1559.16   71.527    1617.66   100.732   1499.66   101.582   109.742 3.4269  105.648 3.5898  4.093636       4.962887 
1 1 1 18  4   5  o 92.214  2.2753  1141.94   56.195    1136.16   79.035    1147.85   79.917    91.979  3.2080  92.450  3.2273  -0.4703751     4.550511 
1 1 1 18  4   6  o 217.264 4.3004  6389.91   250.254   6353.60   353.431   6426.42   354.395   216.642 6.0908  217.887 6.0725  -1.244919      8.600762 
1 1 1 18  4   7  o 209.207 4.1579  5927.17   232.960   5813.64   329.158   6041.11   329.755   207.179 5.9316  211.234 5.8282  -4.055054      8.315753 
1 1 1 18  4   8  f 49.002  1.8691  323.368   24.438    328.498   34.485    318.193   34.637    49.396  2.6158  48.608  2.6706  0.7888107      3.738263 
1 1 1 18  4   9  o 80.979  2.2067  881.872   47.850    908.307   67.760    855.577   67.581    82.194  3.0778  79.764  3.1632  2.430183       4.413473 
1 1 1 18  4   10 o 69.544  2.0720  650.328   38.592    660.254   54.635    640.445   54.520    70.076  2.9108  69.013  2.9494  1.062851       4.143921 
1 1 1 18  4   11 o 153.296 3.2505  3183.11   133.448   3248.44   188.965   3118.11   188.483   154.881 4.5551  151.711 4.6384  3.169601       6.501016 
1 1 1 18  4   12 o 78.233  2.1548  824.423   45.151    837.088   63.981    811.858   63.726    78.834  3.0300  77.632  3.0647  1.202217       4.309690 
1 1 1 18  4   13 o 53.969  1.9076  392.683   27.520    404.259   39.027    381.235   38.812    54.800  2.6588  53.139  2.7362  1.660698       3.815237 
1 1 1 18  4   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  4   15 o 40.560  1.8557  222.879   20.030    235.265   28.402    210.625   28.251    41.698  2.5553  39.422  2.6916  2.275276       3.711391 
1 1 1 18  4   16 o 24.856  1.9096  84.650    12.453    76.924    17.683    92.253    17.541    23.688  2.8438  26.024  2.5492  -2.336050      3.819149 
1 1 1 18  4   17 o 46.904  1.8948  298.535   23.697    307.441   33.511    289.627   33.513    47.615  2.6379  46.192  2.7207  1.422848       3.789521 
1 1 1 18  4   18 o 8.6086  2.2080  6.8158    7.0143    13.965    10.083    0.1126    9.7639    10.226  3.2632  6.9916  2.9754  3.234015       4.416097 
1 1 1 18  4   19 o 62.632  2.0145  533.752   33.704    576.571   47.560    490.552   47.771    65.198  2.7234  60.067  2.9692  5.131424       4.029074 
1 1 1 18  4   20 o 63.140  2.0173  542.343   34.115    545.588   48.086    539.055   48.407    63.336  2.8345  62.944  2.8712  0.3928947      4.034659 
1 1 1 18  4   21 o 15.228  2.4453  33.302    9.8081    39.932    13.774    26.483    13.969    16.822  3.1734  13.633  3.7213  3.189374       4.890660 
1 1 1 18  4   22 o 32.419  1.9498  144.773   16.720    154.721   23.452    134.489   23.844    33.600  2.6268  31.238  2.8823  2.361864       3.899693 
1 1 1 18  4   23 o 18.046  2.4870  46.815    11.569    42.137    16.609    51.225    16.125    17.082  3.7342  19.010  3.2858  -1.927448      4.973988 
1 1 1 18  4   24 o 48.247  2.8379  321.474   36.512    0.0000    0.0000    321.474   36.512    ?       ?       48.247  2.8379  ?              ?        
1 1 1 18  4   25 o 9.6813  2.6181  9.6643    9.5244    12.081    13.351    7.1603    13.591    10.130  3.7336  9.2321  3.6712  0.8982859      5.236146 
1 1 1 18  4   26 o 40.785  2.0142  232.372   21.809    211.869   30.451    253.963   31.249    38.872  2.9466  42.699  2.7469  -3.826591      4.028371 
1 1 1 18  4   27 o 21.571  2.3874  67.873    13.273    73.002    18.415    62.329    19.147    22.551  3.1334  20.592  3.6027  1.959539       4.774719 
1 1 1 18  4   28 o 9.9111  2.5953  10.095    9.7614    20.044    14.031    0.7625    13.589    11.756  3.8575  8.0663  3.4731  3.689640       5.190644 
1 1 1 18  4   29 o 15.914  2.8006  38.750    12.133    50.705    17.627    27.988    16.724    18.319  3.7194  13.510  4.1880  4.809813       5.601177 
1 1 1 18  4   30 o 16.356  2.8177  41.527    12.230    42.577    17.372    40.495    17.222    16.574  3.9662  16.139  4.0034  0.4352570      5.635430 
1 1 1 18  4   31 f 30.536  3.1812  136.640   25.636    136.640   25.636    0.0000    0.0000    30.536  3.1812  ?       ?       ?              ?        
1 1 1 18  4   32 o 6.4627  2.1496  -11.4549  9.4023    -9.0749   14.392    -13.2272  12.419    6.9537  3.2271  5.9718  2.8405  0.9818840      4.299113 
1 1 1 18  4   33 o 10.066  2.8336  12.553    11.465    12.930    16.128    12.167    16.301    10.117  4.0068  10.014  4.0078  0.1037884      5.667141 
1 1 1 18  5   0  o 61.164  1.8516  501.795   30.334    501.107   42.989    502.477   42.811    61.122  2.6258  61.206  2.6114  -0.8396530E-01 3.703276 
1 1 1 18  5   1  o 240.169 4.6025  7801.36   296.063   7719.46   418.054   7883.77   419.342   238.895 6.5333  241.442 6.4843  -2.546951      9.204952 
1 1 1 18  5   2  o 93.936  2.2486  1184.77   56.571    1194.98   79.713    1174.41   80.297    94.346  3.1544  93.527  3.2054  0.8192902      4.497169 
1 1 1 18  5   3  o 56.347  1.8444  425.945   27.835    419.560   39.248    432.406   39.484    55.922  2.6203  56.773  2.5965  -0.8505440     3.688857 
1 1 1 18  5   4  o 113.059 2.5533  1718.84   77.283    1768.55   108.808   1668.23   109.789   114.717 3.5411  111.400 3.6794  3.316467       5.106649 
1 1 1 18  5   5  o 117.028 2.6408  1841.72   82.775    1823.02   116.552   1860.76   117.577   116.428 3.7375  117.628 3.7319  -1.199944      5.281607 
1 1 1 18  5   6  o 130.601 2.8713  2296.80   100.440   2289.01   141.656   2304.67   142.434   130.380 4.0564  130.823 4.0648  -0.4435425     5.742537 
1 1 1 18  5   7  f 46.098  1.8730  286.226   23.026    279.935   32.342    292.693   32.790    45.582  2.6606  46.615  2.6370  -1.033104      3.746026 
1 1 1 18  5   8  o 63.106  1.9773  535.132   33.407    515.072   47.084    555.469   47.408    61.911  2.8393  64.300  2.7526  -2.388542      3.954582 
1 1 1 18  5   9  o 61.446  1.9988  507.560   32.897    507.514   46.489    507.607   46.557    61.443  2.8248  61.448  2.8287  -0.5298615E-02 3.997650 
1 1 1 18  5   10 o 61.460  2.0096  508.141   33.077    497.535   46.766    518.759   46.791    60.815  2.8710  62.104  2.8129  -1.289093      4.019295 
1 1 1 18  5   11 o 63.781  2.0171  547.600   34.459    546.962   48.812    548.233   48.653    63.744  2.8589  63.819  2.8462  -0.7544327E-01 4.034178 
1 1 1 18  5   12 o 86.639  2.2382  1012.93   51.918    979.219   73.432    1046.63   73.413    85.186  3.2183  88.091  3.1114  -2.904877      4.476398 
1 1 1 18  5   13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  5   14 o 40.225  1.8463  219.098   19.776    227.513   28.069    210.805   27.866    41.002  2.5689  39.448  2.6527  1.554188       3.692679 
1 1 1 18  5   15 o 21.144  2.0373  61.465    11.230    64.340    16.186    58.795    15.594    21.632  2.8640  20.656  2.8983  0.9758472      4.074670 
1 1 1 18  5   16 o 40.330  1.8805  220.825   20.198    216.377   28.507    225.308   28.621    39.916  2.6819  40.744  2.6367  -0.8284531     3.760962 
1 1 1 18  5   17 o 72.849  2.1261  720.473   41.484    729.028   58.641    711.903   58.693    73.289  2.9873  72.410  3.0262  0.8785019      4.252255 
1 1 1 18  5   18 o 58.210  1.9846  461.034   30.808    497.165   43.568    424.899   43.571    60.564  2.6858  55.856  2.9225  4.708458       3.969152 
1 1 1 18  5   19 o 57.101  1.9823  443.726   30.249    426.513   42.706    461.057   42.851    55.938  2.8599  58.265  2.7457  -2.327579      3.964595 
1 1 1 18  5   20 f 10.784  2.4982  15.128    8.5260    10.090    12.152    20.012    11.965    9.6113  3.5582  11.956  3.5076  -2.344440      4.996442 
1 1 1 18  5   21 o 12.504  2.1276  18.260    9.0709    45.085    13.230    -5.5367   12.461    17.965  2.8441  7.0433  3.1650  10.92203       4.255149 
1 1 1 18  5   22 o 8.2843  2.3384  3.6023    8.2001    -3.1152   11.614    10.280    11.579    7.0728  3.1240  9.4957  3.4805  -2.422852      4.676837 
1 1 1 18  5   23 o 22.153  3.2536  69.305    18.731    0.0000    0.0000    69.305    18.731    ?       ?       22.153  3.2536  ?              ?        
1 1 1 18  5   24 o 12.415  2.4152  18.840    10.154    41.002    14.581    -2.0257   14.148    16.869  3.3453  7.9619  3.4845  8.906845       4.830348 
1 1 1 18  5   25 o 24.963  2.2218  88.431    14.513    85.159    20.615    91.646    20.434    24.462  3.2249  25.463  3.0572  -1.000799      4.443666 
1 1 1 18  5   26 o 13.397  2.2706  23.540    10.466    -5.8452   14.843    52.600    14.761    7.6169  3.4356  19.177  2.9696  -11.56052      4.541123 
1 1 1 18  5   27 o 11.679  2.7598  19.459    10.216    16.377    14.802    22.262    14.118    11.064  3.9514  12.294  3.8539  -1.229384      5.519551 
1 1 1 18  5   28 f 24.348  2.3893  86.647    15.153    84.762    20.993    88.697    21.893    24.088  3.3439  24.607  3.4136  -0.5191002     4.778579 
1 1 1 18  5   29 o 11.054  2.4458  11.339    10.407    -11.3298  14.501    35.413    14.944    6.8618  3.2027  15.246  3.6975  -8.384103      4.891675 
1 1 1 18  5   30 o 8.2518  2.4975  -0.6473   10.192    9.2880    15.034    -9.0978   13.865    9.6336  3.8513  6.8699  3.1808  2.763721       4.995026 
1 1 1 18  5   31 o 24.913  2.6259  95.665    16.742    82.084    24.195    108.141   23.190    22.846  4.1047  26.979  3.2763  -4.132971      5.251894 
1 1 1 18  5   32 o 10.931  2.6234  13.516    11.578    -11.4771  17.317    33.719    15.570    7.4394  3.4813  14.422  3.9254  -6.982999      5.246787 
1 1 1 18  6   0  o 116.412 2.5544  1821.41   79.610    1877.43   112.284   1764.79   112.891   118.219 3.5460  114.605 3.6776  3.614517       5.108723 
1 1 1 18  6   1  o 273.975 5.1863  10191.48  380.501   9922.74   537.232   10461.98  538.992   270.307 7.4202  277.643 7.2478  -7.335876      10.37257 
1 1 1 18  6   2  o 250.663 4.7735  8525.32   320.103   8998.80   452.443   8050.79   452.944   257.725 6.5542  243.601 6.9419  14.12335       9.547082 
1 1 1 18  6   3  o 167.000 3.3790  3760.96   151.089   3866.55   213.174   3654.38   214.174   169.374 4.6989  164.625 4.8571  4.748322       6.758079 
1 1 1 18  6   4  o 75.638  2.0760  768.412   42.052    777.167   59.124    759.449   59.822    76.076  2.9015  75.199  2.9700  0.8769684      4.152094 
1 1 1 18  6   5  o 13.794  2.2496  27.102    8.4515    14.865    12.089    38.803    11.820    10.801  3.5823  16.787  2.7221  -5.985994      4.499206 
1 1 1 18  6   6  o 37.737  1.8653  192.221   18.726    199.180   26.494    185.273   26.472    38.429  2.5890  37.046  2.6860  1.382656       3.730685 
1 1 1 18  6   7  o 85.495  2.2381  983.242   51.247    990.864   72.176    975.493   72.775    85.832  3.1394  85.158  3.1906  0.6742935      4.476137 
1 1 1 18  6   8  o 82.140  2.2188  907.891   48.811    888.827   68.752    927.266   69.311    81.268  3.1585  83.012  3.1172  -1.743942      4.437698 
1 1 1 18  6   9  o 42.788  1.8730  247.143   21.351    238.861   30.180    255.441   30.210    42.062  2.6930  43.514  2.6040  -1.451935      3.746049 
1 1 1 18  6   10 o 112.720 2.6326  1716.76   79.484    1717.77   112.514   1715.75   112.302   112.753 3.7256  112.688 3.7207  0.6508636E-01  5.265285 
1 1 1 18  6   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  6   12 o 14.452  2.3364  29.332    8.8489    30.864    12.649    27.864    12.383    14.827  3.2728  14.078  3.3353  0.7491484      4.672809 
1 1 1 18  6   13 o 65.163  2.0513  573.515   35.795    588.568   50.746    558.610   50.499    66.019  2.8697  64.306  2.9318  1.713707       4.102580 
1 1 1 18  6   14 o 86.002  2.2587  1002.33   52.029    996.409   73.631    1008.22   73.529    85.745  3.2060  86.260  3.1825  -0.5143433     4.517333 
1 1 1 18  6   15 o 66.242  2.0600  594.330   36.538    613.609   51.774    575.202   51.571    67.323  2.8712  65.161  2.9548  2.161766       4.120009 
1 1 1 18  6   16 o 77.315  2.1932  812.092   45.402    786.964   64.168    837.283   64.249    76.100  3.1480  78.529  3.0545  -2.428490      4.386381 
1 1 1 18  6   17 o 34.546  1.9194  162.704   17.617    164.675   25.005    160.762   24.825    34.757  2.7073  34.336  2.7216  0.4210587      3.838833 
1 1 1 18  6   18 o 16.185  2.4206  37.107    10.165    38.415    14.511    35.846    14.245    16.475  3.4012  15.895  3.4452  0.5793123      4.841274 
1 1 1 18  6   19 o 35.583  1.9400  173.210   18.341    169.598   26.051    176.761   25.828    35.201  2.7857  35.964  2.7009  -0.7626991     3.880098 
1 1 1 18  6   20 o 42.903  1.9620  252.140   22.401    265.017   31.673    239.253   31.685    44.029  2.6988  41.777  2.8486  2.251957       3.923997 
1 1 1 18  6   21 o 10.743  3.6709  14.939    12.690    14.939    12.690    0.0000    0.0000    10.743  3.6709  ?       ?       ?              ?        
1 1 1 18  6   22 o 36.136  2.0219  180.729   19.365    193.360   27.343    168.019   27.430    37.456  2.7446  34.817  2.9698  2.639057       4.043786 
1 1 1 18  6   23 o 33.390  2.0483  155.060   18.133    151.696   25.696    158.396   25.592    33.010  2.9369  33.770  2.8561  -0.7604294     4.096682 
1 1 1 18  6   24 o 17.009  2.6171  42.652    11.669    31.764    16.340    53.985    16.671    14.642  4.0364  19.376  3.3323  -4.734220      5.234186 
1 1 1 18  6   25 o 21.634  2.4114  67.696    13.508    67.188    18.924    68.223    19.288    21.559  3.3890  21.708  3.4313  -0.1492901     4.822762 
1 1 1 18  6   26 o 11.550  2.6583  18.148    10.007    8.6712    14.131    27.681    14.174    9.5048  3.7548  13.596  3.7639  -4.091021      5.316549 
1 1 1 18  6   27 o 18.818  2.7262  53.536    13.278    48.733    18.853    58.263    18.703    17.864  4.0354  19.773  3.6665  -1.909019      5.452301 
1 1 1 18  6   28 o 8.3107  2.4373  1.5534    9.3917    11.011    13.554    -7.1796   13.025    9.7590  3.7261  6.8624  3.1429  2.896572       4.874644 
1 1 1 18  6   29 o 13.155  2.6643  23.641    12.027    47.023    16.918    -0.2516   17.102    17.580  3.7094  8.7305  3.8256  8.849957       5.328682 
1 1 1 18  6   30 o 21.070  3.8119  77.202    19.440    75.231    41.235    77.765    22.043    19.602  6.6176  22.539  3.7855  -2.937157      7.623835 
1 1 1 18  6   31 o 12.331  2.8163  21.946    11.748    38.056    16.935    7.0025    16.310    15.321  4.0611  9.3418  3.9030  5.978842       5.632627 
1 1 1 18  7   0  o 100.955 2.3397  1368.95   63.265    1352.86   89.159    1385.27   89.784    100.357 3.3169  101.553 3.3008  -1.196548      4.679391 
1 1 1 18  7   1  o 41.582  1.7698  232.821   19.619    229.830   27.685    235.837   27.806    41.312  2.5139  41.852  2.4918  -0.5402298     3.539599 
1 1 1 18  7   2  o 142.294 3.0008  2731.85   114.078   2948.70   161.082   2513.66   161.582   148.003 4.0634  136.586 4.4167  11.41670       6.001518 
1 1 1 18  7   3  o 232.985 4.5274  7374.92   282.318   7688.08   398.862   7060.52   399.656   238.016 6.2564  227.953 6.5456  10.06277       9.054741 
1 1 1 18  7   4  o 96.512  2.3527  1252.81   60.808    1267.95   85.557    1237.34   86.440    97.106  3.2894  95.918  3.3646  1.188225       4.705368 
1 1 1 18  7   5  o 51.538  1.8914  357.370   26.024    335.272   36.579    380.019   37.033    49.882  2.7484  53.195  2.5991  -3.313137      3.782705 
1 1 1 18  7   6  o 43.856  1.8953  259.421   22.154    262.015   31.167    256.773   31.496    44.082  2.6520  43.631  2.7085  0.4512520      3.790605 
1 1 1 18  7   7  o 50.778  1.9237  347.741   26.057    355.778   36.645    339.522   37.058    51.379  2.6720  50.176  2.7680  1.202526       3.847323 
1 1 1 18  7   8  o 112.657 2.6332  1713.46   79.456    1718.32   112.215   1708.58   112.522   112.819 3.7135  112.494 3.7344  0.3253326      5.266435 
1 1 1 18  7   9  o 170.427 7.0277  4018.07   320.805   4018.07   320.805   0.0000    0.0000    170.427 7.0277  ?       ?       ?              ?        
1 1 1 18  7   10 o 77.148  4.2110  810.272   86.688    0.0000    0.0000    810.272   86.688    ?       ?       77.148  4.2110  ?              ?        
1 1 1 18  7   11 o 34.245  1.8918  159.309   17.124    140.420   24.047    178.740   24.390    32.146  2.8213  36.344  2.5210  -4.198036      3.783586 
1 1 1 18  7   12 o 18.420  2.1921  47.099    10.429    48.625    14.833    45.608    14.666    18.729  3.0628  18.111  3.1370  0.6175900      4.384189 
1 1 1 18  7   13 o 80.424  2.1946  876.141   47.263    855.875   66.916    896.316   66.765    79.485  3.1431  81.364  3.0636  -1.879410      4.389150 
1 1 1 18  7   14 o 26.445  1.9810  95.779    13.725    108.750   19.640    83.397    19.189    28.250  2.6256  24.641  2.9671  3.609146       3.962046 
1 1 1 18  7   15 o 51.129  1.9640  355.136   26.789    347.533   37.994    362.652   37.776    50.573  2.8160  51.685  2.7386  -1.111668      3.928061 
1 1 1 18  7   16 o 11.073  2.4420  16.139    8.3605    22.862    11.801    9.3635    11.846    12.727  3.3980  9.4197  3.5080  3.306996       4.883899 
1 1 1 18  7   17 o 71.279  2.1337  691.585   40.725    713.379   57.756    670.036   57.432    72.411  2.9779  70.147  3.0567  2.263687       4.267462 
1 1 1 18  7   18 o 71.726  2.1503  701.914   41.307    712.538   58.418    691.290   58.416    72.279  3.0175  71.173  3.0643  1.105927       4.300573 
1 1 1 18  7   19 o 52.681  2.0230  379.741   28.437    376.606   40.116    382.908   40.318    52.459  2.8659  52.902  2.8560  -0.4420891     4.045936 
1 1 1 18  7   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  7   21 o 28.837  2.0672  115.391   15.746    116.183   22.291    114.602   22.245    28.939  2.9156  28.734  2.9313  0.2047653      4.134408 
1 1 1 18  7   22 o 24.896  2.2000  87.088    14.349    87.578    20.401    86.609    20.186    24.963  3.1193  24.829  3.1031  0.1343575      4.399929 
1 1 1 18  7   23 o 11.358  2.6058  16.560    9.6711    26.969    13.959    6.9512    13.411    13.572  3.7264  9.1447  3.6435  4.426784       5.211669 
1 1 1 18  7   24 o 56.688  2.1127  450.651   31.942    467.117   45.043    433.993   45.304    57.790  2.9194  55.587  3.0545  2.203033       4.225304 
1 1 1 18  7   25 o 15.722  2.7578  37.275    11.554    36.022    16.815    38.396    15.902    15.428  4.0263  16.015  3.7696  -0.5871210     5.515520 
1 1 1 18  7   26 o 6.8583  2.1665  -5.6116   8.5579    -15.6868  12.986    2.1230    11.378    6.0327  2.8792  7.6838  3.2381  -1.651041      4.333029 
1 1 1 18  7   27 o 21.637  2.6584  70.379    14.671    54.431    20.483    87.176    21.022    18.799  4.1766  24.475  3.2901  -5.676126      5.316773 
1 1 1 18  7   28 o 33.402  2.2546  161.341   19.884    148.826   27.665    174.717   28.600    31.986  3.2752  34.817  3.0992  -2.830853      4.509130 
1 1 1 18  7   29 o 30.293  2.3690  135.947   18.767    123.093   26.901    148.134   26.194    28.689  3.5786  31.898  3.1051  -3.209475      4.737944 
1 1 1 18  7   30 o 12.556  2.8476  23.593    11.818    37.210    16.695    9.9176    16.731    15.224  4.0308  9.8888  4.0236  5.334970       5.695272 
1 1 1 18  8   0  o 179.610 3.6107  4356.26   173.700   4330.27   245.010   4382.52   246.294   179.071 5.1082  180.150 5.1043  -1.078354      7.221303 
1 1 1 18  8   1  o 68.819  1.9956  635.952   36.782    627.140   51.772    644.934   52.267    68.337  2.8285  69.301  2.8158  -0.9635544     3.991120 
1 1 1 18  8   2  o 191.894 3.7889  4990.41   194.374   5333.21   274.622   4646.30   275.150   198.578 5.1632  185.210 5.5465  13.36826       7.577713 
1 1 1 18  8   3  o 90.021  2.2313  1089.57   53.800    1081.43   75.711    1097.87   76.464    89.682  3.1519  90.360  3.1593  -0.6782608     4.462675 
1 1 1 18  8   4  o 55.480  1.9203  414.012   28.480    400.259   40.009    428.139   40.549    54.509  2.7491  56.451  2.6818  -1.941933      3.840520 
1 1 1 18  8   5  o 92.069  2.3157  1141.16   57.104    1138.56   80.295    1143.82   81.227    91.965  3.2597  92.173  3.2901  -0.2076111     4.631460 
1 1 1 18  8   6  o 56.778  1.9455  434.144   29.504    409.631   41.492    459.217   41.963    55.114  2.8201  58.442  2.6807  -3.328110      3.890938 
1 1 1 18  8   7  o 89.828  4.4437  1093.84   106.916   1093.84   106.916   0.0000    0.0000    89.828  4.4437  ?       ?       ?              ?        
1 1 1 18  8   8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  8   9  o 52.125  1.9545  367.194   27.185    373.722   38.356    360.605   38.536    52.598  2.7320  51.653  2.7958  0.9442940      3.908978 
1 1 1 18  8   10 o 21.089  2.0776  61.158    11.416    62.353    16.202    59.980    16.087    21.301  2.9164  20.876  2.9599  0.4243183      4.155292 
1 1 1 18  8   11 o 33.800  1.9393  155.220   17.399    150.428   24.563    160.046   24.650    33.266  2.7822  34.334  2.7023  -1.067970      3.878528 
1 1 1 18  8   12 o 29.740  1.9475  120.576   15.325    115.960   21.727    125.146   21.619    29.157  2.8172  30.323  2.6897  -1.166086      3.894979 
1 1 1 18  8   13 o 61.842  2.0553  517.935   34.044    515.186   48.269    520.656   48.024    61.676  2.9219  62.009  2.8914  -0.3337784     4.110697 
1 1 1 18  8   14 o 16.758  2.3868  39.618    10.340    45.705    14.742    33.723    14.507    18.091  3.1572  15.425  3.5803  2.666408       4.773526 
1 1 1 18  8   15 o 59.126  2.0531  475.147   32.453    464.086   45.935    486.169   45.856    58.391  2.9465  59.861  2.8600  -1.469349      4.106279 
1 1 1 18  8   16 o 48.664  1.9881  323.045   25.717    354.907   36.575    291.892   36.166    51.085  2.6824  46.243  2.9350  4.841492       3.976161 
1 1 1 18  8   17 o 16.459  2.5167  38.803    10.782    33.438    15.498    43.835    15.009    15.287  3.8010  17.631  3.2996  -2.343509      5.033373 
1 1 1 18  8   18 o 35.055  2.0044  168.648   18.655    167.581   26.603    169.680   26.167    34.936  2.8683  35.175  2.8006  -0.2393303     4.008755 
1 1 1 18  8   19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  8   20 o 24.944  2.2402  87.207    14.538    76.687    20.339    98.196    20.787    23.319  3.3528  26.570  2.9718  -3.250887      4.480331 
1 1 1 18  8   21 o 28.778  2.1617  115.732   16.377    124.130   23.376    107.635   22.952    29.850  2.9629  27.707  3.1486  2.142733       4.323481 
1 1 1 18  8   22 o 19.154  2.5627  53.621    12.616    62.703    17.766    44.384    17.918    20.963  3.2709  17.344  3.9460  3.619225       5.125355 
1 1 1 18  8   23 o 43.920  2.0813  270.660   24.216    302.179   34.418    239.761   34.078    46.576  2.7714  41.265  3.1060  5.310463       4.162675 
1 1 1 18  8   24 o 44.623  2.0978  280.639   24.907    268.077   35.260    293.150   35.189    43.567  3.0407  45.679  2.8910  -2.112007      4.195642 
1 1 1 18  8   25 o 14.982  2.8199  34.100    11.559    37.618    16.294    30.535    16.401    15.774  3.8826  14.190  4.0906  1.583480       5.639844 
1 1 1 18  8   26 o 23.558  2.5264  82.663    15.047    103.421   21.365    62.232    21.196    26.874  3.0204  20.243  4.0507  6.631578       5.052847 
1 1 1 18  8   27 o 56.898  3.0813  463.344   46.783    463.344   46.783    0.0000    0.0000    56.898  3.0813  ?       ?       ?              ?        
1 1 1 18  8   28 f 9.1580  2.6074  5.3231    10.699    -8.2022   16.326    15.506    14.166    7.6446  3.5076  10.671  3.8589  -3.026628      5.214844 
1 1 1 18  8   29 o 15.784  3.0220  40.236    13.175    46.956    19.066    34.095    18.226    17.081  4.1972  14.486  4.3490  2.595475       6.044042 
1 1 1 18  9   0  o 69.351  1.9968  646.156   37.086    656.416   52.324    635.797   52.573    69.906  2.7944  68.795  2.8531  1.111038       3.993600 
1 1 1 18  9   1  o 91.417  2.2515  1125.04   55.054    1189.18   77.681    1060.32   78.036    94.049  3.0837  88.785  3.2815  5.264175       4.503025 
1 1 1 18  9   2  o 81.510  2.1561  894.074   47.031    934.617   66.366    853.174   66.659    83.376  2.9718  79.644  3.1247  3.731857       4.312251 
1 1 1 18  9   3  o 109.003 2.5113  1601.63   73.285    1651.28   103.323   1551.37   103.961   110.716 3.4841  107.290 3.6176  3.426239       5.022605 
1 1 1 18  9   4  o 47.013  1.8720  298.095   23.474    302.331   33.056    293.786   33.339    47.355  2.6163  46.671  2.6782  0.6835899      3.744006 
1 1 1 18  9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  9   6  o 13.547  3.5136  25.704    12.857    0.0000    0.0000    25.704    12.857    ?       ?       13.547  3.5136  ?              ?        
1 1 1 18  9   7  o 23.120  2.0551  73.162    12.445    73.665    17.545    72.652    17.655    23.205  2.8850  23.036  2.9275  0.1695366      4.110170 
1 1 1 18  9   8  o 47.326  1.9174  302.770   24.202    297.539   34.014    308.134   34.443    46.909  2.7188  47.742  2.7045  -0.8329544     3.834887 
1 1 1 18  9   9  o 69.699  2.1036  656.134   39.269    647.192   55.331    665.209   55.741    69.219  2.9844  70.179  2.9654  -0.9606781     4.207128 
1 1 1 18  9   10 o 71.400  2.1386  689.609   40.884    666.260   57.669    713.202   57.969    70.175  3.0681  72.625  2.9800  -2.450874      4.277123 
1 1 1 18  9   11 o 34.002  1.9518  157.700   17.538    141.161   24.807    174.227   24.799    32.174  2.9102  35.830  2.6018  -3.655975      3.903634 
1 1 1 18  9   12 o 130.774 2.9467  2343.63   103.204   2384.93   146.105   2302.51   145.801   131.947 4.1340  129.601 4.2001  2.346710       5.893349 
1 1 1 18  9   13 o 45.558  2.0059  282.490   24.291    307.708   34.577    257.916   34.133    47.601  2.7232  43.514  2.9459  4.087704       4.011802 
1 1 1 18  9   14 o 61.148  2.0864  507.773   34.170    504.368   48.432    511.148   48.217    60.939  2.9672  61.357  2.9339  -0.4177246     4.172752 
1 1 1 18  9   15 o 43.989  1.9945  263.866   23.375    261.568   33.098    266.153   33.018    43.793  2.8370  44.185  2.8044  -0.3925896     3.989092 
1 1 1 18  9   16 o 18.029  2.4545  45.863    11.405    48.291    16.725    43.752    15.592    18.476  3.5080  17.582  3.4339  0.8931293      4.908947 
1 1 1 18  9   17 o 46.553  2.7868  306.121   30.622    311.091   36.198    293.610   57.425    47.675  2.8477  45.432  4.7913  2.243305       5.573673 
1 1 1 18  9   18 o 43.291  2.8460  257.370   32.816    0.0000    0.0000    257.370   32.816    ?       ?       43.291  2.8460  ?              ?        
1 1 1 18  9   19 o 20.250  2.4377  58.398    12.727    54.318    18.073    62.413    17.925    19.483  3.5957  21.017  3.2923  -1.534014      4.875304 
1 1 1 18  9   20 o 24.390  2.3039  83.861    14.661    85.282    21.260    82.572    20.245    24.569  3.3153  24.212  3.2001  0.3574047      4.607842 
1 1 1 18  9   21 o 19.545  2.5939  56.831    12.918    37.031    18.301    76.495    18.238    15.780  4.2395  23.309  2.9901  -7.529109      5.187872 
1 1 1 18  9   22 o 40.752  2.0891  232.897   22.590    250.801   31.973    215.053   31.920    42.397  2.8319  39.107  3.0721  3.289642       4.178154 
1 1 1 18  9   23 o 39.334  2.1050  218.752   21.872    193.517   31.002    243.761   30.862    36.930  3.1647  41.737  2.7765  -4.806751      4.210022 
1 1 1 18  9   24 o 35.437  2.1529  178.325   20.233    181.693   28.570    174.936   28.658    35.799  3.0074  35.076  3.0816  0.7236290      4.305840 
1 1 1 18  9   25 o 17.475  2.8805  46.659    13.241    48.976    18.583    44.270    18.871    17.974  3.9664  16.977  4.1783  0.9964943      5.761089 
1 1 1 18  9   26 f 39.140  3.1353  219.866   32.593    219.866   32.593    0.0000    0.0000    39.140  3.1353  ?       ?       ?              ?        
1 1 1 18  9   27 o 28.164  2.6005  119.274   18.432    154.409   26.529    86.485    25.628    32.687  3.0659  23.640  4.2012  9.046650       5.200943 
1 1 1 18  9   28 o 17.063  2.7594  46.371    13.351    73.600    19.137    20.554    18.634    22.198  3.3205  11.928  4.4081  10.27039       5.518801 
1 1 1 18  10  0  o 95.017  2.2943  1214.95   58.387    1217.41   82.228    1212.46   82.920    95.116  3.2276  94.918  3.2615  0.1983490      4.588557 
1 1 1 18  10  1  o 191.563 3.8111  4985.59   195.526   5046.85   275.917   4923.79   277.120   192.768 5.3439  190.357 5.4351  2.410355       7.622149 
1 1 1 18  10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  10  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  10  4  o 22.757  2.0320  70.851    12.097    67.410    17.073    74.321    17.143    22.181  2.9466  23.333  2.7988  -1.151844      4.063957 
1 1 1 18  10  5  o 8.9441  2.2320  8.2008    7.1098    14.941    10.029    1.3915    10.080    10.529  3.2397  7.3595  3.0711  3.169118       4.463993 
1 1 1 18  10  6  o 52.845  1.9425  376.796   27.423    359.008   38.514    395.091   39.057    51.535  2.8006  54.154  2.6927  -2.619133      3.885077 
1 1 1 18  10  7  o 136.627 3.0199  2541.61   110.508   2508.51   155.806   2575.11   156.764   135.724 4.2859  137.530 4.2556  -1.805984      6.039761 
1 1 1 18  10  8  o 68.865  2.0965  640.771   38.668    633.661   54.382    648.042   54.994    68.479  2.9649  69.252  2.9648  -0.7727356     4.192932 
1 1 1 18  10  9  o 40.919  1.9385  227.327   21.092    241.112   29.850    213.581   29.808    42.181  2.6556  39.658  2.8246  2.522549       3.876954 
1 1 1 18  10  10 o 52.349  2.0208  371.825   28.225    365.063   39.835    378.642   39.997    51.865  2.8788  52.834  2.8367  -0.9686813     4.041564 
1 1 1 18  10  11 f 100.229 2.4850  1367.96   66.713    1365.36   94.274    1370.56   94.418    100.134 3.5150  100.325 3.5136  -0.1914825     4.969983 
1 1 1 18  10  12 f 69.958  2.1673  664.533   40.610    664.727   57.411    664.339   57.452    69.968  3.0634  69.947  3.0665  0.2134705E-01  4.334515 
1 1 1 18  10  13 o 21.627  2.2377  64.961    12.569    64.046    18.041    65.824    17.521    21.459  3.2397  21.796  3.0876  -0.3372955     4.475386 
1 1 1 18  10  14 o 65.525  2.1241  584.372   37.279    586.399   52.894    582.371   52.549    65.636  3.0087  65.413  2.9992  0.2225342      4.248234 
1 1 1 18  10  15 o 32.186  2.0941  142.457   17.691    165.865   25.456    120.589   24.605    34.821  2.7517  29.551  3.1574  5.270180       4.188199 
1 1 1 18  10  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  10  17 o 7.4611  2.1192  -4.2086   7.6867    -18.1889  10.459    12.214    11.336    5.0163  2.4404  9.9059  3.4653  -4.889631      4.238343 
1 1 1 18  10  18 o 19.890  2.5520  56.534    13.090    59.205    18.825    54.033    18.214    20.364  3.5822  19.417  3.6358  0.9475346      5.103974 
1 1 1 18  10  19 o 30.697  2.1745  131.557   17.637    130.690   25.037    132.411   24.847    30.586  3.0990  30.807  3.0513  -0.2218227     4.349048 
1 1 1 18  10  20 o 40.108  2.0745  223.872   22.120    234.130   31.696    214.133   30.885    41.023  2.9034  39.193  2.9639  1.829792       4.149039 
1 1 1 18  10  21 o 16.830  2.6634  41.654    12.012    60.085    17.544    25.386    16.482    20.442  3.3178  13.217  4.1673  7.225022       5.326750 
1 1 1 18  10  22 o 48.166  2.1347  326.442   27.395    336.089   39.004    317.049   38.486    48.891  2.9929  47.442  3.0447  1.448807       4.269428 
1 1 1 18  10  23 o 35.831  2.2103  182.568   20.994    187.447   29.734    177.718   29.647    36.338  3.0840  35.323  3.1672  1.015354       4.420625 
1 1 1 18  10  24 o 23.577  2.5058  81.434    15.325    79.997    21.907    82.811    21.447    23.326  3.6240  23.829  3.4615  -0.5029068     5.011550 
1 1 1 18  10  25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  10  26 o 19.109  2.8843  57.818    14.685    33.065    20.654    83.124    20.883    14.470  4.6759  23.749  3.3782  -9.278623      5.768575 
1 1 1 18  10  27 o 12.036  2.9887  21.583    12.008    24.589    16.666    18.339    17.316    12.617  4.2072  11.454  4.2461  1.163380       5.977386 
1 1 1 18  11  0  o 189.464 4.7223  4909.21   226.036   4984.94   391.616   4871.37   276.798   189.788 7.7037  189.139 5.4638  0.6499023      9.444610 
1 1 1 18  11  1  o 92.041  2.2699  1142.34   55.920    1186.66   78.861    1097.52   79.306    93.850  3.1372  90.231  3.2814  3.618980       4.539787 
1 1 1 18  11  2  o 85.920  2.2068  995.436   50.763    1026.11   71.620    964.465   71.959    87.260  3.0643  84.579  3.1764  2.681511       4.413541 
1 1 1 18  11  3  o 73.005  2.0920  718.803   40.877    747.526   57.651    689.764   57.967    74.483  2.8898  71.527  3.0257  2.956482       4.183964 
1 1 1 18  11  4  o 125.736 2.7732  2143.58   93.361    2065.22   131.406   2223.45   132.667   123.395 3.9758  128.078 3.8672  -4.683487      5.546428 
1 1 1 18  11  5  o 9.1168  2.3672  8.0349    7.8736    2.3977    11.068    13.811    11.203    7.8575  3.2433  10.376  3.4490  -2.518689      4.734358 
1 1 1 18  11  6  f 194.689 4.0009  5236.43   208.632   5251.92   294.399   5220.81   295.707   195.001 5.6365  194.377 5.6797  0.6238251      8.001852 
1 1 1 18  11  7  o 21.810  2.1878  65.849    12.290    76.985    17.554    55.143    17.212    23.711  2.8193  19.910  3.3464  3.801632       4.375695 
1 1 1 18  11  8  o 50.626  1.9940  347.491   26.930    342.910   37.908    352.159   38.264    50.286  2.8259  50.965  2.8139  -0.6783676     3.987994 
1 1 1 18  11  9  o 16.002  2.4317  36.247    10.128    41.556    14.286    30.881    14.362    17.233  3.2131  14.772  3.6509  2.461568       4.863473 
1 1 1 18  11  10 o 57.256  2.0523  445.281   31.370    447.251   44.244    443.290   44.483    57.388  2.8876  57.124  2.9170  0.2635765      4.104523 
1 1 1 18  11  11 o 31.791  2.0207  138.083   17.022    138.061   24.099    138.104   24.048    31.787  2.8610  31.794  2.8543  -0.6486893E-02 4.041335 
1 1 1 18  11  12 o 59.140  2.1094  476.490   33.306    475.707   47.146    477.271   47.058    59.089  2.9886  59.190  2.9777  -0.1011772     4.218811 
1 1 1 18  11  13 o 66.414  2.1485  600.820   38.217    591.533   53.946    610.178   54.150    65.892  3.0566  66.936  3.0203  -1.043800      4.297044 
1 1 1 18  11  14 o 113.095 3.8930  1767.08   117.927   1767.08   117.927   0.0000    0.0000    113.095 3.8930  ?       ?       ?              ?        
1 1 1 18  11  15 o 27.070  3.0632  101.501   21.819    0.0000    0.0000    101.501   21.819    ?       ?       27.070  3.0632  ?              ?        
1 1 1 18  11  16 o 22.440  2.3415  70.829    13.626    66.092    19.224    75.611    19.316    21.633  3.4323  23.246  3.1860  -1.613459      4.683053 
1 1 1 18  11  17 o 21.726  2.4166  66.907    13.586    66.529    19.595    67.256    18.854    21.638  3.5005  21.814  3.3324  -0.1765442     4.833104 
1 1 1 18  11  18 o 15.900  2.7239  36.999    11.541    31.215    16.261    42.870    16.384    14.612  4.0260  17.189  3.6702  -2.577240      5.447857 
1 1 1 18  11  19 o 29.856  2.1982  125.332   17.305    121.370   24.658    129.178   24.294    29.351  3.1877  30.361  3.0277  -1.010075      4.396455 
1 1 1 18  11  20 o 28.143  2.3285  114.089   16.794    90.154    23.917    137.366   23.587    24.954  3.6896  31.332  2.8415  -6.377678      4.656942 
1 1 1 18  11  21 o 19.573  2.6208  56.432    13.227    53.639    18.880    59.124    18.537    19.026  3.8373  20.119  3.5706  -1.093714      5.241554 
1 1 1 18  11  22 o 19.269  2.7194  55.564    13.530    64.658    19.129    46.460    19.140    21.037  3.5191  17.501  4.1467  3.535963       5.438710 
1 1 1 18  11  23 f 25.775  2.5419  98.292    16.691    78.940    23.899    116.719   23.321    22.959  4.0334  28.591  3.0947  -5.631765      5.083841 
1 1 1 18  11  24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  11  25 o 8.5603  2.5405  1.0236    10.558    -10.9912  15.532    11.344    14.395    7.1858  3.3407  9.9348  3.8284  -2.748941      5.081024 
1 1 1 18  11  26 o 9.6006  2.7753  7.4962    11.518    1.7865    16.200    13.332    16.378    8.7172  3.7727  10.484  4.0714  -1.766759      5.550587 
1 1 1 18  12  0  o 41.909  1.8436  237.244   20.590    239.030   29.070    235.446   29.168    42.069  2.5925  41.748  2.6218  0.3218193      3.687120 
1 1 1 18  12  1  o 102.699 2.4288  1425.84   66.774    1474.87   94.161    1376.24   94.705    104.495 3.3643  100.904 3.5041  3.590836       4.857673 
1 1 1 18  12  2  o 46.071  1.8788  287.039   23.052    305.411   32.684    268.852   32.518    47.556  2.5755  44.586  2.7362  2.970592       3.757655 
1 1 1 18  12  3  o 58.149  1.9536  455.931   30.427    454.257   42.966    457.615   43.096    58.042  2.7637  58.256  2.7619  -0.2144203     3.907192 
1 1 1 18  12  4  o 62.420  2.0000  525.941   33.433    532.513   47.094    519.263   47.471    62.818  2.7989  62.021  2.8576  0.7963829      3.999981 
1 1 1 18  12  5  o 81.944  2.2176  908.599   48.672    902.237   68.444    915.108   69.227    81.656  3.1294  82.232  3.1430  -0.5766830     4.435248 
1 1 1 18  12  6  o 21.698  2.1506  64.893    12.145    68.414    17.357    61.515    17.000    22.297  2.9810  21.099  3.1007  1.198158       4.301217 
1 1 1 18  12  7  o 114.508 2.6960  1787.55   82.652    1718.56   116.262   1858.03   117.525   112.246 3.8670  116.771 3.7576  -4.525070      5.391967 
1 1 1 18  12  8  o 46.428  1.9908  292.995   24.558    264.222   34.447    322.731   35.020    44.072  2.9349  48.784  2.6905  -4.711731      3.981504 
1 1 1 18  12  9  o 29.178  2.0294  116.478   15.647    118.964   21.989    113.927   22.270    29.507  2.8165  28.848  2.9225  0.6592007      4.058727 
1 1 1 18  12  10 o 15.577  2.5086  34.790    10.401    23.808    14.769    45.596    14.650    13.091  3.9114  18.063  3.1420  -4.972548      5.017127 
1 1 1 18  12  11 o 26.558  2.1242  97.129    14.829    101.914   21.012    92.381    20.931    27.236  2.9262  25.880  3.0799  1.356163       4.248363 
1 1 1 18  12  12 o 45.825  2.0379  286.979   24.867    297.408   35.005    276.356   35.331    46.690  2.8122  44.960  2.9502  1.730370       4.075790 
1 1 1 18  12  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  12  14 o 43.338  2.0700  257.819   23.882    265.625   34.059    250.269   33.496    43.993  2.9068  42.682  2.9480  1.310593       4.140084 
1 1 1 18  12  15 o 22.453  2.4722  71.732    14.273    62.927    20.451    80.093    19.928    20.979  3.7785  23.927  3.1889  -2.948423      4.944328 
1 1 1 18  12  16 o 14.709  2.7568  31.578    11.140    26.051    16.059    36.704    15.467    13.503  4.0888  15.914  3.6988  -2.411258      5.513521 
1 1 1 18  12  17 o 21.007  2.5086  63.331    13.531    73.731    19.399    53.476    18.884    22.824  3.2663  19.190  3.8083  3.633873       5.017160 
1 1 1 18  12  18 o 17.349  2.6701  45.180    12.369    25.892    17.547    64.235    17.440    13.433  4.3066  21.265  3.1577  -7.831879      5.340246 
1 1 1 18  12  19 f 61.574  2.2282  532.283   36.625    534.306   51.956    530.285   51.638    61.687  3.1551  61.461  3.1473  0.2260208      4.456429 
1 1 1 18  12  20 o 35.656  2.2397  180.005   21.154    187.974   30.191    172.320   29.650    36.463  3.1213  34.848  3.2127  1.615078       4.479316 
1 1 1 18  12  21 o 17.189  2.9137  44.792    13.316    37.846    18.783    51.811    18.880    15.755  4.3212  18.622  3.9096  -2.867662      5.827314 
1 1 1 18  12  22 o 21.860  3.7031  70.476    20.909    70.476    20.909    0.0000    0.0000    21.860  3.7031  ?       ?       ?              ?        
1 1 1 18  12  23 o 13.520  3.6651  23.615    15.688    21.810    37.850    23.990    17.239    14.265  5.9518  12.775  4.2790  1.490343       7.330287 
1 1 1 18  12  24 o 21.820  2.8117  73.641    15.649    57.538    22.460    88.832    21.816    19.073  4.4738  24.566  3.4072  -5.492971      5.623477 
1 1 1 18  12  25 o 27.588  2.5374  114.393   18.299    112.218   25.997    116.528   25.761    27.275  3.6501  27.901  3.5258  -0.6253548     5.074877 
1 1 1 18  13  0  f 43.702  1.8651  258.261   21.728    261.747   30.651    254.740   30.804    44.004  2.6123  43.401  2.6627  0.6029358      3.730160 
1 1 1 18  13  1  o 76.647  2.1230  793.627   43.565    820.242   61.515    766.848   61.704    77.949  2.9464  75.346  3.0575  2.602776       4.246099 
1 1 1 18  13  2  o 73.792  2.0942  735.572   41.380    712.057   58.275    759.486   58.767    72.595  2.9970  74.989  2.9258  -2.394264      4.188396 
1 1 1 18  13  3  o 27.774  1.9676  105.265   14.425    101.050   20.519    109.384   20.283    27.205  2.8586  28.343  2.7045  -1.138220      3.935270 
1 1 1 18  13  4  o 16.451  2.4181  38.103    10.308    40.962    14.540    35.214    14.616    17.104  3.2934  15.799  3.5415  1.305417       4.836163 
1 1 1 18  13  5  o 64.653  2.0504  565.447   35.501    551.472   49.919    579.747   50.499    63.840  2.9193  65.466  2.8799  -1.625164      4.100772 
1 1 1 18  13  6  o 53.436  1.9920  387.348   28.408    385.600   39.880    389.149   40.477    53.317  2.8024  53.555  2.8318  -0.2383690     3.984018 
1 1 1 18  13  7  o 18.102  2.4039  45.981    11.223    43.134    15.778    48.896    15.966    17.503  3.4881  18.700  3.3087  -1.197668      4.807705 
1 1 1 18  13  8  o 63.352  2.1058  544.656   35.730    534.730   50.409    554.676   50.652    62.766  2.9984  63.938  2.9577  -1.171402      4.211699 
1 1 1 18  13  9  o 15.932  2.5580  36.505    10.854    24.536    15.432    48.223    15.270    13.291  4.0044  18.573  3.1840  -5.282549      5.116013 
1 1 1 18  13  10 o 36.891  2.0248  186.025   19.850    185.874   27.970    186.179   28.176    36.878  2.8538  36.904  2.8731  -0.2562714E-01 4.049535 
1 1 1 18  13  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  13  12 o 8.7096  2.3913  4.8140    8.5692    12.971    11.897    -3.9803   12.353    10.200  3.5510  7.2189  3.2035  2.981274       4.782502 
1 1 1 18  13  13 o 22.327  2.3999  70.711    13.711    57.901    19.421    83.441    19.359    20.146  3.7367  24.508  3.0126  -4.362272      4.799828 
1 1 1 18  13  14 o 13.102  2.8249  24.102    10.964    29.410    15.517    18.809    15.494    14.274  3.9328  11.930  4.0564  2.343675       5.649889 
1 1 1 18  13  15 o 8.4597  2.3082  1.6674    8.6493    -12.6912  12.373    15.388    12.095    6.1841  2.9094  10.735  3.5843  -4.551126      4.616483 
1 1 1 18  13  16 o 6.1118  1.9664  -8.8878   7.4782    -18.3336  10.724    0.0533    10.434    5.0855  2.4734  7.1381  3.0577  -2.052610      3.932806 
1 1 1 18  13  17 f 11.945  2.5777  15.484    10.627    37.254    15.912    -2.0425   14.277    15.909  3.7886  7.9807  3.4963  7.928109       5.155351 
1 1 1 18  13  18 o 47.649  2.2159  319.496   28.027    290.046   39.479    349.421   39.797    45.322  3.2741  49.976  2.9867  -4.653786      4.431741 
1 1 1 18  13  19 o 25.409  2.5021  93.497    16.329    76.485    22.760    111.542   23.441    22.812  3.8627  28.006  3.1814  -5.193031      5.004198 
1 1 1 18  13  20 o 18.940  2.8221  53.736    13.877    47.175    19.477    60.499    19.775    17.649  4.1839  20.231  3.7885  -2.582703      5.644300 
1 1 1 18  13  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  13  22 o 10.467  2.6387  8.7867    11.156    -10.4929  15.803    27.943    15.752    7.3521  3.4012  13.583  4.0352  -6.230597      5.277405 
1 1 1 18  13  23 o 22.824  2.8294  79.442    16.638    72.880    23.451    86.094    23.611    21.732  4.1805  23.916  3.8139  -2.183462      5.658822 
1 1 1 18  13  24 o 6.3222  2.0945  -14.0732  9.2758    -25.4636  13.183    -2.9034   13.054    5.3217  2.6199  7.3228  3.2686  -2.001134      4.189011 
1 1 1 18  14  0  o 53.033  1.9236  380.194   27.238    357.899   38.362    402.862   38.681    51.415  2.7961  54.651  2.6425  -3.235985      3.847198 
1 1 1 18  14  1  o 28.196  1.9362  108.707   14.377    100.350   20.628    116.601   20.048    27.102  2.8860  29.290  2.5819  -2.187664      3.872341 
1 1 1 18  14  2  o 31.153  1.9446  132.120   15.966    150.168   22.946    115.182   22.229    33.258  2.5964  29.047  2.8957  4.211147       3.889253 
1 1 1 18  14  3  o 22.695  2.1602  71.071    12.748    77.919    18.113    64.349    17.945    23.830  2.8975  21.560  3.2049  2.269501       4.320467 
1 1 1 18  14  4  o 29.747  1.9908  120.864   15.653    126.306   22.023    115.309   22.252    30.446  2.7296  29.047  2.8988  1.399355       3.981661 
1 1 1 18  14  5  o 21.965  2.2580  67.084    12.828    73.254    17.972    60.674    18.317    23.064  2.9788  20.866  3.3941  2.198446       4.515907 
1 1 1 18  14  6  o 47.236  2.0035  303.488   25.222    311.163   35.560    295.717   35.780    47.851  2.7865  46.622  2.8793  1.229694       4.006929 
1 1 1 18  14  7  o 57.372  2.0341  447.087   31.204    442.326   43.764    452.010   44.504    57.027  2.8744  57.716  2.8788  -0.6896591     4.068139 
1 1 1 18  14  8  o 27.265  3.0494  109.168   19.084    114.961   22.674    95.095    35.341    28.933  2.9678  25.596  5.3281  3.336470       6.098888 
1 1 1 18  14  9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  14  10 o 38.388  2.0361  201.882   20.763    190.885   29.121    213.252   29.612    37.301  2.9385  39.474  2.8192  -2.173244      4.072180 
1 1 1 18  14  11 o 25.656  2.2626  92.159    15.077    102.047   21.018    81.678    21.640    27.177  2.9339  24.134  3.4454  3.043497       4.525281 
1 1 1 18  14  12 o 36.206  2.1395  180.995   20.557    178.266   28.886    183.796   29.260    35.926  3.0302  36.486  3.0213  -0.5597610     4.279063 
1 1 1 18  14  13 f 39.695  2.1418  217.949   22.580    229.909   32.247    206.441   31.629    40.793  2.9717  38.598  3.0852  2.195019       4.283624 
1 1 1 18  14  14 f 51.450  2.1430  366.803   29.396    361.926   41.738    371.604   41.407    51.090  3.0641  51.809  2.9967  -0.7188530     4.285926 
1 1 1 18  14  15 o 15.886  2.7839  37.175    11.798    34.983    16.819    39.298    16.553    15.405  4.0300  16.367  3.8419  -0.9616613     5.567820 
1 1 1 18  14  16 o 23.746  2.4693  81.125    15.131    90.946    21.388    71.285    21.409    25.325  3.2263  22.166  3.7390  3.159060       4.938522 
1 1 1 18  14  17 o 38.048  2.2512  205.405   22.515    177.782   32.057    232.297   31.630    35.341  3.4298  40.756  2.9168  -5.415421      4.502349 
1 1 1 18  14  18 o 9.5821  2.5605  4.9071    10.434    20.997    14.676    -11.5332  14.835    12.135  3.9434  7.0297  3.2671  5.104835       5.120987 
1 1 1 18  14  19 o 27.788  3.9583  143.356   24.299    161.775   27.819    84.075    49.908    33.788  3.1088  21.788  7.2808  11.99940       7.916687 
1 1 1 18  14  20 o 24.651  3.7175  89.249    23.783    0.0000    0.0000    89.249    23.783    ?       ?       24.651  3.7175  ?              ?        
1 1 1 18  14  21 o 13.506  3.0613  26.955    12.859    35.677    18.454    18.725    17.927    15.184  4.3274  11.828  4.3313  3.356510       6.122583 
1 1 1 18  14  22 o 15.904  2.9175  39.235    14.080    63.474    19.865    14.764    19.959    20.496  3.7570  11.312  4.4645  9.183290       5.834941 
1 1 1 18  15  0  o 69.662  2.0815  656.519   38.838    651.705   54.778    661.384   55.072    69.405  2.9466  69.920  2.9407  -0.5149231     4.162959 
1 1 1 18  15  1  o 50.829  1.9319  350.155   26.203    345.341   36.985    355.006   37.129    50.474  2.7461  51.184  2.7180  -0.7096367     3.863757 
1 1 1 18  15  2  o 25.405  2.0502  88.489    13.696    87.865    19.590    89.086    19.154    25.307  2.9451  25.504  2.8529  -0.1962337     4.100337 
1 1 1 18  15  3  o 52.103  1.9819  368.601   27.544    381.469   38.984    355.773   38.923    53.026  2.7543  51.180  2.8506  1.845749       3.963861 
1 1 1 18  15  4  o 27.625  2.0644  105.047   14.943    93.418    21.269    116.384   21.000    26.050  3.1097  29.200  2.7162  -3.149548      4.128887 
1 1 1 18  15  5  o 44.297  1.9783  266.987   23.346    259.070   32.755    275.162   33.285    43.622  2.8184  44.972  2.7768  -1.350079      3.956505 
1 1 1 18  15  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  15  7  o 50.253  2.8780  344.534   38.577    0.0000    0.0000    344.534   38.577    ?       ?       50.253  2.8780  ?              ?        
1 1 1 18  15  8  o 29.868  2.1223  122.945   16.700    133.580   23.761    112.564   23.476    31.191  2.8766  28.546  3.1212  2.644796       4.244578 
1 1 1 18  15  9  o 30.430  2.1737  127.899   17.474    127.760   24.832    128.035   24.592    30.408  3.0919  30.452  3.0562  -0.4398346E-01 4.347429 
1 1 1 18  15  10 o 18.313  2.6279  48.032    12.450    47.862    17.642    48.201    17.571    18.277  3.7301  18.350  3.7027  -0.7337761E-01 5.255814 
1 1 1 18  15  11 o 23.012  2.3916  74.621    14.299    76.004    20.254    73.246    20.190    23.239  3.3507  22.785  3.4133  0.4533291      4.783112 
1 1 1 18  15  12 o 52.680  2.1298  383.443   29.887    358.388   41.840    409.545   42.706    50.878  3.0848  54.481  2.9374  -3.603027      4.259633 
1 1 1 18  15  13 o 37.919  2.1479  200.128   21.625    203.284   30.386    196.889   30.783    38.246  2.9900  37.593  3.0844  0.6532288      4.295716 
1 1 1 18  15  14 o 25.218  2.4121  90.393    15.862    85.834    22.077    95.257    22.805    24.533  3.4554  25.903  3.3664  -1.370335      4.824197 
1 1 1 18  15  15 o 25.772  2.4548  95.614    16.251    78.380    22.909    113.068   23.055    23.219  3.8163  28.326  3.0888  -5.107676      4.909681 
1 1 1 18  15  16 o 15.085  2.9851  34.034    12.620    38.887    17.852    29.184    17.844    16.113  4.1202  14.057  4.3207  2.055928       5.970281 
1 1 1 18  15  17 o 14.264  2.9802  30.080    12.507    21.326    17.661    38.886    17.714    12.443  4.3268  16.086  4.0994  -3.643073      5.960440 
1 1 1 18  15  18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  15  19 o 9.7451  2.7524  6.0905    11.390    16.880    16.563    -3.5896   15.689    11.400  4.1650  8.0904  3.5993  3.309394       5.504699 
1 1 1 18  15  20 o 11.956  2.9841  19.407    12.276    11.592    17.527    26.933    17.201    10.554  4.1778  13.358  4.2620  -2.804402      5.968113 
1 1 1 18  15  21 o 7.2788  2.3577  -7.6564   10.352    -5.8715   15.123    -9.2301   14.201    7.5867  3.4406  6.9708  3.2246  0.6158786      4.715487 
1 1 1 18  16  0  o 107.193 2.5484  1565.44   73.142    1510.08   102.899   1621.98   103.987   105.255 3.6499  109.132 3.5574  -3.877686      5.096787 
1 1 1 18  16  1  o 11.705  2.6069  18.434    9.1564    16.240    12.858    20.691    13.043    11.162  3.6941  12.248  3.6793  -1.086720      5.213842 
1 1 1 18  16  2  o 37.360  1.9513  190.147   19.375    183.625   27.510    196.565   27.292    36.707  2.8196  38.012  2.6981  -1.305325      3.902558 
1 1 1 18  16  3  o 37.069  3.6546  189.639   35.814    189.639   35.814    0.0000    0.0000    37.069  3.6546  ?       ?       ?              ?        
1 1 1 18  16  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  16  5  o 34.538  2.0393  163.293   18.692    165.249   26.603    161.386   26.270    34.743  2.8848  34.332  2.8834  0.4108810      4.078698 
1 1 1 18  16  6  f 27.629  2.1908  105.744   15.868    96.847    22.573    114.436   22.310    26.420  3.2589  28.839  2.9289  -2.419191      4.381609 
1 1 1 18  16  7  o 38.212  2.0649  200.344   20.963    192.038   29.411    208.921   29.887    37.390  2.9610  39.034  2.8789  -1.643959      4.129817 
1 1 1 18  16  8  o 38.262  2.1012  201.432   21.340    213.771   30.455    189.529   29.912    39.442  2.9032  37.081  3.0383  2.360867       4.202341 
1 1 1 18  16  9  o 9.5034  2.5837  7.1036    9.7884    15.308    13.639    -1.6096   14.056    10.958  3.8029  8.0484  3.4986  2.909945       5.167458 
1 1 1 18  16  10 o 13.573  2.9311  26.236    11.639    25.653    16.676    26.791    16.253    13.460  4.1834  13.686  4.1065  -0.2261343     5.862124 
1 1 1 18  16  11 o 10.491  2.7188  12.153    10.394    18.914    14.265    4.5037    15.175    11.776  3.8908  9.2055  3.7984  2.570381       5.437514 
1 1 1 18  16  12 o 12.177  2.7730  20.400    10.517    14.233    14.901    26.523    14.846    10.841  3.9520  13.512  3.8909  -2.671014      5.545918 
1 1 1 18  16  13 o 16.826  2.8545  41.858    12.734    36.834    17.741    47.197    18.289    15.748  4.1482  17.904  3.9222  -2.156927      5.708907 
1 1 1 18  16  14 o 36.276  2.2480  185.244   21.585    172.374   30.191    198.701   30.872    34.931  3.2647  37.620  3.0911  -2.689411      4.495948 
1 1 1 18  16  15 f 21.787  2.7855  70.045    15.623    65.308    22.464    74.483    21.742    20.954  4.1492  22.621  3.7177  -1.666368      5.571071 
1 1 1 18  16  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  16  17 o 40.571  2.2935  234.010   24.709    233.918   35.296    234.098   34.603    40.538  3.2787  40.605  3.2078  -0.6657791E-01 4.586930 
1 1 1 18  16  18 f 13.899  2.8789  26.963    12.905    47.509    18.514    7.5435    17.999    17.719  3.9962  10.079  4.1452  7.639989       5.757839 
1 1 1 18  16  19 o 15.407  3.1486  37.141    13.741    34.889    19.321    39.446    19.545    14.950  4.4754  15.864  4.4299  -0.9138279     6.297130 
1 1 1 18  17  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  17  1  o 43.044  2.7650  252.269   31.710    0.0000    0.0000    252.269   31.710    ?       ?       43.044  2.7650  ?              ?        
1 1 1 18  17  2  o 67.360  2.1030  617.630   37.907    646.284   53.497    588.737   53.721    68.957  2.8964  65.763  3.0498  3.193954       4.206032 
1 1 1 18  17  3  o 31.674  2.0991  137.580   17.589    144.353   25.362    131.303   24.414    32.435  2.9516  30.913  2.9856  1.521643       4.198286 
1 1 1 18  17  4  o 35.405  2.0592  172.007   19.311    158.420   27.136    185.948   27.487    33.949  3.0156  36.861  2.8050  -2.912266      4.118476 
1 1 1 18  17  5  o 46.200  2.0364  292.414   25.058    302.244   35.298    282.427   35.579    47.008  2.8164  45.392  2.9422  1.615974       4.072888 
1 1 1 18  17  6  o 53.163  2.0935  387.927   29.682    394.626   41.677    381.032   42.282    53.651  2.9111  52.675  3.0093  0.9765015      4.186959 
1 1 1 18  17  7  o 66.549  2.1864  608.332   38.967    594.556   54.702    622.525   55.523    65.777  3.1048  67.321  3.0792  -1.543404      4.372799 
1 1 1 18  17  8  o 51.334  2.1090  363.468   28.866    371.073   40.714    355.782   40.933    51.896  2.9411  50.772  3.0236  1.124237       4.218099 
1 1 1 18  17  9  o 34.905  2.1811  169.470   20.178    170.021   28.276    168.898   28.803    34.978  3.0485  34.832  3.1203  0.1460533      4.362275 
1 1 1 18  17  10 o 48.675  2.1585  329.254   27.993    335.227   39.444    323.194   39.733    49.145  3.0110  48.205  3.0936  0.9399300      4.317044 
1 1 1 18  17  11 o 47.136  2.2045  310.615   27.601    335.084   39.032    286.141   39.035    49.083  2.9831  45.189  3.2467  3.894310       4.409059 
1 1 1 18  17  12 o 20.983  2.7243  64.211    14.740    66.632    21.261    61.970    20.454    21.371  3.8562  20.595  3.8493  0.7756424      5.448554 
1 1 1 18  17  13 o 14.992  2.9588  33.454    12.565    41.293    17.693    25.480    17.846    16.660  4.0128  13.324  4.3493  3.335388       5.917687 
1 1 1 18  17  14 o 27.010  3.4970  104.686   24.705    104.686   24.705    0.0000    0.0000    27.010  3.4970  ?       ?       ?              ?        
1 1 1 18  17  15 o 14.719  4.4314  32.543    18.903    0.0000    0.0000    32.543    18.903    ?       ?       14.719  4.4314  ?              ?        
1 1 1 18  17  16 o 23.127  2.7470  79.039    16.405    75.385    22.872    82.909    23.543    22.541  3.9314  23.713  3.8378  -1.172478      5.493984 
1 1 1 18  17  17 o 8.0154  2.4590  -9.5131   10.660    11.273    16.393    -24.7414  14.031    10.346  4.0579  5.6844  2.7787  4.662068       4.918087 
1 1 1 18  17  18 f 16.384  3.0530  41.289    14.767    19.886    20.450    64.609    21.346    12.203  4.5964  20.564  4.0195  -8.361136      6.106002 
1 1 1 18  18  0  o 45.593  2.0224  283.928   24.550    293.108   34.427    274.430   35.019    46.368  2.7848  44.818  2.9334  1.550568       4.044758 
1 1 1 18  18  1  o 31.149  2.1042  133.371   17.336    137.789   24.600    129.013   24.434    31.677  2.9326  30.620  3.0184  1.056486       4.208397 
1 1 1 18  18  2  o 11.136  2.6055  14.948    9.7926    25.221    13.699    4.2125    14.004    13.326  3.7042  8.9460  3.6652  4.380468       5.211001 
1 1 1 18  18  3  o 29.623  2.1728  121.252   16.963    113.356   23.759    129.460   24.226    28.606  3.1534  30.640  2.9900  -2.034382      4.345544 
1 1 1 18  18  4  o 29.988  2.2155  125.150   17.391    140.917   24.562    109.298   24.628    31.981  2.8989  27.995  3.3511  3.985582       4.430939 
1 1 1 18  18  5  o 9.6231  2.5631  8.1536    9.5460    16.384    13.299    -0.5939   13.710    11.155  3.7583  8.0915  3.4863  3.063128       5.126265 
1 1 1 18  18  6  o 48.993  2.0975  331.036   27.390    335.234   38.499    326.732   38.976    49.327  2.9270  48.659  3.0053  0.6684189      4.195081 
1 1 1 18  18  7  o 17.316  2.7809  44.146    13.002    26.087    18.254    62.742    18.523    13.620  4.3953  21.012  3.4079  -7.392128      5.561751 
1 1 1 18  18  8  o 14.489  2.9370  30.857    12.178    36.647    16.590    24.091    17.932    15.814  3.9331  13.164  4.3629  2.649978       5.874065 
1 1 1 18  18  9  o 14.155  2.6752  27.939    11.813    48.798    16.717    7.1357    16.695    18.384  3.5232  9.9267  4.0266  8.457044       5.350345 
1 1 1 18  18  10 o 28.689  2.3211  116.386   17.509    119.145   24.750    113.621   24.775    29.054  3.2353  28.324  3.3291  0.7304153      4.642193 
1 1 1 18  18  11 o 17.302  2.6328  44.169    14.111    85.546    19.985    3.0284    19.928    24.598  3.1024  10.007  4.2546  14.59048       5.265553 
1 1 1 18  18  12 o 10.504  3.9770  12.400    15.359    12.400    15.359    0.0000    0.0000    10.504  3.9770  ?       ?       ?              ?        
1 1 1 18  18  13 o 13.914  4.3723  28.498    18.160    0.0000    0.0000    28.498    18.160    ?       ?       13.914  4.3723  ?              ?        
1 1 1 18  18  14 o 21.662  2.8763  71.110    15.900    46.220    22.241    97.126    22.738    17.309  4.6834  26.016  3.3403  -8.706877      5.752594 
1 1 1 18  18  15 o 8.3499  2.4296  -7.1363   10.731    15.854    14.939    -31.6418  15.423    11.007  3.9654  5.6925  2.8085  5.314896       4.859237 
1 1 1 18  18  16 o 15.755  2.7258  36.452    14.084    70.316    19.742    1.3561    20.097    21.861  3.4889  9.6495  4.1891  12.21098       5.451658 
1 1 1 18  19  0  o 16.554  2.7504  38.768    12.003    31.639    16.092    47.710    18.022    14.848  3.9697  18.261  3.8079  -3.412864      5.500756 
1 1 1 18  19  1  o 14.584  2.8394  30.680    11.949    41.293    16.427    18.756    17.412    16.968  3.7173  12.201  4.2932  4.767283       5.678869 
1 1 1 18  19  2  o 45.191  2.0374  280.586   24.516    271.045   34.791    289.995   34.552    44.401  2.9421  45.981  2.8191  -1.580017      4.074745 
1 1 1 18  19  3  o 32.907  2.1369  150.019   18.601    143.208   26.448    156.684   26.164    32.130  3.1123  33.685  2.9291  -1.554512      4.273851 
1 1 1 18  19  4  o 22.888  2.3636  73.886    14.061    72.744    19.871    75.032    19.899    22.699  3.3708  23.078  3.3142  -0.3797760     4.727129 
1 1 1 18  19  5  o 11.563  2.7883  17.588    10.498    21.577    14.427    13.099    15.304    12.399  3.8972  10.727  3.9888  1.671945       5.576640 
1 1 1 18  19  6  o 16.051  2.9078  37.872    12.605    33.301    17.695    42.582    17.962    15.065  4.2180  17.037  4.0039  -1.972184      5.815697 
1 1 1 18  19  7  o 16.714  2.9378  41.208    13.097    38.165    18.075    44.572    19.003    16.064  4.1657  17.364  4.1435  -1.300440      5.875539 
1 1 1 18  19  8  o 9.8131  2.7023  7.0512    10.819    17.089    15.428    -2.6616   15.176    11.464  4.0404  8.1617  3.5894  3.302723       5.404508 
1 1 1 18  19  9  o 28.471  2.4433  115.591   18.119    101.286   25.427    130.348   25.825    26.549  3.6742  30.392  3.2216  -3.843578      4.886514 
1 1 1 18  19  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  19  11 o 12.923  3.6601  10.189    15.001    37.612    36.924    4.7687    16.416    16.393  6.1759  9.4529  3.9297  6.940076       7.320118 
1 1 1 18  19  12 o 32.474  2.3905  150.728   20.410    137.236   28.785    164.370   28.944    30.902  3.5416  34.046  3.2119  -3.143759      4.781077 
1 1 1 18  19  13 o 25.437  2.6547  94.829    17.510    88.648    24.712    101.061   24.814    24.511  3.8943  26.363  3.6088  -1.852150      5.309345 
1 1 1 18  19  14 o 42.669  2.3316  261.055   26.410    245.438   36.946    277.371   37.765    41.297  3.3695  44.042  3.2237  -2.744576      4.663274 
1 1 1 18  19  15 o 29.209  2.6178  126.459   19.834    108.373   27.576    145.841   28.547    26.827  3.9565  31.590  3.4289  -4.762854      5.235572 
1 1 1 18  20  0  o 17.786  2.8271  45.871    13.132    46.881    18.167    44.767    19.004    18.023  3.8782  17.549  4.1145  0.4741096      5.654180 
1 1 1 18  20  1  o 18.948  2.7460  51.823    13.465    50.971    18.789    52.723    19.307    18.791  3.8622  19.105  3.9047  -0.3144512     5.492082 
1 1 1 18  20  2  o 9.0035  2.3950  -0.2861   9.6796    -19.3387  13.461    20.111    13.928    5.9685  2.8704  12.039  3.8346  -6.070027      4.789936 
1 1 1 18  20  3  o 20.961  2.6467  64.546    14.067    83.121    19.786    45.560    20.003    24.344  3.1051  17.578  4.2869  6.765913       5.293329 
1 1 1 18  20  4  o 23.960  2.4787  81.671    15.431    78.759    21.592    84.710    22.059    23.503  3.5398  24.417  3.4706  -0.9146233     4.957316 
1 1 1 18  20  5  o 11.851  2.7083  16.350    11.381    33.438    15.900    -1.6053   16.298    15.092  3.9039  8.6102  3.7548  6.481384       5.416521 
1 1 1 18  20  6  o 9.6389  2.5033  4.3696    10.541    22.435    14.092    -18.5763  15.882    12.518  3.8384  6.7600  3.2145  5.757672       5.006640 
1 1 1 18  20  7  o 35.546  2.2455  177.352   21.134    167.747   29.466    187.529   30.330    34.524  3.2238  36.568  3.1266  -2.044296      4.490899 
1 1 1 18  20  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  20  9  o 29.837  2.4183  126.975   18.914    137.369   26.807    116.672   26.690    31.146  3.2618  28.527  3.5713  2.618971       4.836649 
1 1 1 18  20  10 o 13.483  3.1207  26.250    12.970    24.679    17.770    28.042    18.974    13.120  4.3429  13.845  4.4826  -0.7249317     6.241324 
1 1 1 18  20  11 o 44.750  2.3102  284.867   27.442    300.986   38.553    268.312   39.070    46.138  3.1383  43.361  3.3910  2.777176       4.620354 
1 1 1 18  20  12 o 30.900  2.5065  138.513   20.356    132.382   28.434    144.959   29.156    30.163  3.5899  31.638  3.4991  -1.475155      5.013098 
1 1 1 18  20  13 o 38.661  2.4491  217.323   25.054    203.695   35.158    231.384   35.712    37.339  3.5584  39.983  3.3660  -2.644211      4.898149 
1 1 1 18  21  0  o 55.119  2.1207  420.584   31.147    441.722   43.842    399.044   44.257    56.578  2.9028  53.661  3.0923  2.916615       4.241300 
1 1 1 18  21  1  o 24.162  2.6601  85.712    16.164    105.595   22.372    63.995    23.381    27.468  3.0947  20.855  4.3274  6.612452       5.320132 
1 1 1 18  21  2  o 33.811  2.2247  159.868   19.911    164.146   28.234    155.636   28.083    34.281  3.1087  33.341  3.1834  0.9403572      4.449482 
1 1 1 18  21  3  o 33.847  2.2286  160.708   19.858    179.850   28.286    142.103   27.886    35.937  2.9651  31.757  3.3278  4.179420       4.457137 
1 1 1 18  21  4  o 17.779  2.8118  47.154    13.538    26.032    18.973    69.062    19.323    13.566  4.4874  21.992  3.3893  -8.425832      5.623508 
1 1 1 18  21  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  21  6  o 14.273  4.4577  29.826    18.908    0.0000    0.0000    29.826    18.908    ?       ?       14.273  4.4577  ?              ?        
1 1 1 18  21  7  o 19.919  2.8486  58.532    14.673    51.101    20.334    66.606    21.194    18.497  4.1999  21.340  3.8495  -2.842188      5.697224 
1 1 1 18  21  8  o 27.676  2.5734  110.702   18.564    117.168   26.048    104.029   26.463    28.596  3.4720  26.756  3.7992  1.839947       5.146729 
1 1 1 18  21  9  o 12.822  3.1492  22.591    13.207    18.889    17.746    27.188    19.774    11.970  4.3205  13.674  4.5829  -1.704880      6.298396 
1 1 1 18  21  10 o 21.902  3.0195  72.572    17.058    70.328    23.460    75.089    24.849    21.568  4.2120  22.236  4.3277  -0.6683807     6.039074 
1 1 1 18  21  11 o 18.795  3.0931  55.329    16.026    81.021    22.968    30.952    22.372    23.314  3.8096  14.276  4.8741  9.038382       6.186265 
1 1 1 18  22  0  o 15.405  3.0059  33.365    13.217    20.994    17.561    49.530    20.073    12.501  4.3164  18.308  4.1847  -5.807668      6.011880 
1 1 1 18  22  1  o 12.687  3.3200  20.400    14.548    25.235    16.834    6.1367    28.913    13.287  4.2139  12.087  5.1314  1.199270       6.639922 
1 1 1 18  22  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 18  22  3  o 33.424  3.1858  157.061   28.176    0.0000    0.0000    157.061   28.176    ?       ?       33.424  3.1858  ?              ?        
1 1 1 18  22  4  f 38.857  2.2346  212.676   22.905    187.387   32.399    237.946   32.387    36.411  3.3600  41.303  2.9468  -4.892200      4.469144 
1 1 1 18  22  5  o 21.261  2.9292  66.936    16.079    68.366    22.989    65.566    22.497    21.487  4.1446  21.034  4.1406  0.4533119      5.858480 
1 1 1 18  22  6  o 8.5379  2.6142  -1.7924   11.292    -9.2542   15.936    5.7315    16.002    7.5861  3.4751  9.4898  3.9064  -1.903742      5.228435 
1 1 1 18  22  7  o 22.139  2.8705  72.920    16.394    73.157    23.085    72.680    23.286    22.190  4.0325  22.088  4.0864  0.1016121      5.741025 
1 1 1 18  22  8  o 13.806  2.8337  22.320    13.473    -2.7724   18.082    53.636    20.201    8.7928  3.8901  18.820  4.1215  -10.02694      5.667457 
1 1 1 18  22  9  o 9.9189  2.8854  7.1053    12.506    11.864    16.659    0.9602    18.930    10.470  4.0949  9.3678  4.0661  1.102243       5.770788 
1 1 1 18  23  0  o 15.428  2.9363  32.985    13.015    18.091    17.163    53.137    19.964    11.872  4.2532  18.985  4.0495  -7.113190      5.872640 
1 1 1 18  23  1  o 21.843  2.8452  69.056    15.820    43.459    21.175    101.399   23.801    16.990  4.5583  26.696  3.4062  -9.706041      5.690388 
1 1 1 18  23  2  o 12.469  3.1706  20.170    13.367    19.283    17.514    21.408    20.688    12.106  4.3007  12.833  4.6599  -0.7264709     6.341180 
1 1 1 18  23  3  o 23.937  2.6355  82.974    16.278    73.135    22.514    93.752    23.564    22.339  3.9050  25.535  3.5406  -3.195868      5.271096 
1 1 1 18  23  4  o 19.777  2.9287  58.436    15.013    56.622    20.940    60.355    21.536    19.452  4.1459  20.101  4.1378  -0.6498184     5.857449 
1 1 1 18  23  5  o 30.804  2.4838  136.811   20.111    140.637   28.257    132.884   28.629    31.296  3.4269  30.312  3.5964  0.9847374      4.967673 
1 1 1 18  23  6  o 21.849  2.9740  72.617    16.693    46.380    22.932    102.192   24.347    17.189  4.7978  26.509  3.5157  -9.319998      5.948036 
1 1 1 18  24  0  o 30.329  2.4537  131.368   19.277    107.025   26.712    157.827   27.848    27.199  3.7677  33.458  3.1443  -6.258894      4.907353 
1 1 1 18  24  1  o 11.754  3.0642  17.059    12.607    15.194    16.602    19.601    19.377    11.187  4.1555  12.322  4.5045  -1.135575      6.128473 
1 1 1 18  24  2  o 20.401  3.0285  62.348    15.983    57.055    21.621    68.726    23.733    19.436  4.2698  21.365  4.2961  -1.929224      6.057038 
1 1 1 18  24  3  o 17.455  3.0366  45.891    14.121    38.182    18.972    55.466    21.144    15.801  4.3467  19.110  4.2416  -3.308659      6.073262 
1 1 1 18  24  4  o 7.5675  2.3670  -3.5226   9.3641    -7.2950   12.189    1.9096    14.627    6.6158  3.0338  8.5192  3.6341  -1.903416      4.733978 
1 1 1 18  25  0  o 32.334  2.4232  149.731   20.569    132.541   28.203    169.265   30.065    30.266  3.5462  34.403  3.3033  -4.137049      4.846411 
1 1 1 18  25  1  o 38.261  2.3313  210.511   23.568    220.210   32.573    199.856   34.142    39.326  3.1179  37.196  3.4669  2.129879       4.662693 
1 1 1 19  -34 8  o 20.980  3.4895  89.538    20.344    123.358   29.176    57.537    28.381    26.159  4.3145  15.802  5.4856  10.35719       6.979046 
1 1 1 19  -34 9  o 8.1680  2.6402  -0.5704   12.463    -5.7956   21.922    1.9252    15.150    8.3740  3.9181  7.9620  3.5398  0.4119864      5.280300 
1 1 1 19  -34 10 o 19.190  5.4173  79.559    29.063    79.559    29.063    0.0000    0.0000    19.190  5.4173  ?       ?       ?              ?        
1 1 1 19  -34 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -34 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -34 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -34 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -34 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -34 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -34 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -34 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -34 19 o 19.025  5.4351  86.937    29.076    0.0000    0.0000    86.937    29.076    ?       ?       19.025  5.4351  ?              ?        
1 1 1 19  -34 20 o 12.706  4.8747  39.550    23.268    0.0000    0.0000    39.550    23.268    ?       ?       12.706  4.8747  ?              ?        
1 1 1 19  -33 2  f 23.447  3.1619  97.537    19.042    122.555   27.873    75.640    26.076    26.954  3.9805  19.941  4.9139  7.013123       6.323793 
1 1 1 19  -33 3  o 21.431  3.1902  81.149    17.794    104.765   26.529    61.833    23.992    24.785  4.1424  18.078  4.8529  6.706320       6.380491 
1 1 1 19  -33 4  o 13.527  3.3398  33.086    14.771    41.754    22.954    26.959    19.297    14.697  4.9376  12.356  4.4985  2.341113       6.679527 
1 1 1 19  -33 5  o 3.3201  1.6754  -22.0211  7.0584    0.0000    0.0000    -22.0211  7.0584    ?       ?       3.3201  1.6754  ?              ?        
1 1 1 19  -33 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -33 7  o 13.974  5.0181  37.294    23.905    37.294    23.905    0.0000    0.0000    13.974  5.0181  ?       ?       ?              ?        
1 1 1 19  -33 8  f 8.4662  2.7233  -5.1227   13.527    7.7532    20.809    -14.5444  17.801    9.7887  4.2560  7.1437  3.3988  2.644958       5.446592 
1 1 1 19  -33 9  o 23.707  3.0118  94.664    18.318    110.723   27.729    82.229    24.400    25.577  4.1929  21.837  4.3248  3.740736       6.023616 
1 1 1 19  -33 10 o 13.371  3.4766  33.690    16.878    24.083    26.299    40.418    22.008    12.112  4.9994  14.630  4.8326  -2.517846      6.953237 
1 1 1 19  -33 11 f 13.054  3.4378  30.216    16.159    41.446    24.581    21.670    21.444    14.528  5.1017  11.580  4.6094  2.948203       6.875571 
1 1 1 19  -33 12 o 11.578  3.1637  11.218    15.754    47.091    24.923    -12.6524  20.330    15.370  5.1450  7.7855  3.6829  7.584910       6.327315 
1 1 1 19  -33 13 o 9.6995  2.9731  8.5429    14.137    2.9006    23.681    11.667    17.622    9.5889  4.3309  9.8100  4.0743  -0.2211294     5.946160 
1 1 1 19  -33 14 o 8.7946  2.7241  4.4093    12.276    -4.5949   20.994    9.0874    15.132    8.5006  3.9282  9.0886  3.7751  -0.5880289     5.448132 
1 1 1 19  -33 15 o 9.7957  2.9452  7.7202    14.862    -13.9066  23.633    21.868    19.115    8.2207  3.9126  11.371  4.4032  -3.150048      5.890369 
1 1 1 19  -33 16 o 13.724  3.5213  38.121    17.143    29.231    25.178    45.805    23.406    12.405  4.9752  15.044  4.9845  -2.639011      7.042536 
1 1 1 19  -33 17 o 11.786  4.9296  24.854    26.058    24.854    26.058    0.0000    0.0000    11.786  4.9296  ?       ?       ?              ?        
1 1 1 19  -33 18 o 18.156  5.3369  70.686    27.675    70.686    27.675    0.0000    0.0000    18.156  5.3369  ?       ?       ?              ?        
1 1 1 19  -33 19 o 13.843  5.1763  42.653    25.844    42.653    25.844    0.0000    0.0000    13.843  5.1763  ?       ?       ?              ?        
1 1 1 19  -33 20 o 8.6990  2.8468  -0.5723   15.299    2.0856    24.498    -2.2716   19.588    9.2014  4.2490  8.1965  3.7900  1.004895       5.693698 
1 1 1 19  -33 21 o 11.620  4.6406  27.437    21.803    0.0000    0.0000    27.437    21.803    ?       ?       11.620  4.6406  ?              ?        
1 1 1 19  -33 22 o 8.3483  3.7150  5.0324    16.726    0.0000    0.0000    5.0324    16.726    ?       ?       8.3483  3.7150  ?              ?        
1 1 1 19  -33 23 o 7.7321  3.8901  -53.9595  36.499    -53.9595  36.499    0.0000    0.0000    7.7321  3.8901  ?       ?       ?              ?        
1 1 1 19  -33 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -32 0  o 12.387  3.2244  23.477    14.429    38.677    22.230    12.412    18.967    14.521  4.8591  10.253  4.2399  4.268723       6.448874 
1 1 1 19  -32 1  o 14.704  4.4315  37.674    18.897    0.0000    0.0000    37.674    18.897    ?       ?       14.704  4.4315  ?              ?        
1 1 1 19  -32 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -32 3  o 22.361  3.0750  83.576    17.697    109.325   25.877    60.952    24.256    26.224  3.7944  18.497  4.8399  7.726551       6.149959 
1 1 1 19  -32 4  o 8.4191  2.6391  0.4532    11.599    0.0081    18.542    0.7393    14.867    8.7545  3.9025  8.0837  3.5540  0.6708279      5.278245 
1 1 1 19  -32 5  o 10.242  2.9569  12.130    12.708    13.630    19.552    11.034    16.721    10.607  4.3366  9.8757  4.0208  0.7315931      5.913752 
1 1 1 19  -32 6  o 15.508  3.2037  43.039    15.582    22.082    23.495    59.494    20.819    12.108  4.8231  18.908  4.2181  -6.800576      6.407325 
1 1 1 19  -32 7  o 15.938  3.2897  43.056    14.907    56.690    23.281    33.582    19.407    17.921  4.7670  13.955  4.5346  3.965113       6.579310 
1 1 1 19  -32 8  o 7.9488  2.5236  -5.5544   11.998    -23.3901  18.871    6.5474    15.545    6.8831  3.3318  9.0145  3.7911  -2.131353      5.047118 
1 1 1 19  -32 9  o 10.784  2.9649  16.060    12.808    4.9806    20.999    22.624    16.163    9.7081  4.2470  11.859  4.1385  -2.150949      5.929892 
1 1 1 19  -32 10 o 11.794  3.0734  21.945    12.566    22.384    20.511    21.682    15.900    11.940  4.5777  11.649  4.1022  0.2907152      6.146791 
1 1 1 19  -32 11 o 18.450  3.2324  58.780    15.758    63.562    24.211    55.264    20.756    18.907  4.7787  17.993  4.3540  0.9138985      6.464715 
1 1 1 19  -32 12 o 14.923  3.3424  39.740    14.820    42.097    23.205    38.117    19.259    15.103  4.9610  14.743  4.4805  0.3598356      6.684772 
1 1 1 19  -32 13 o 16.169  3.4157  48.797    16.353    38.826    24.819    56.447    21.738    14.391  5.1189  17.947  4.5237  -3.555434      6.831346 
1 1 1 19  -32 14 o 16.152  3.4537  48.290    16.143    49.069    24.474    47.690    21.477    16.066  5.0794  16.239  4.6810  -0.1729012     6.907383 
1 1 1 19  -32 15 o 16.836  3.3414  52.647    15.858    45.664    24.437    57.727    20.842    15.411  5.0924  18.260  4.3275  -2.848549      6.682788 
1 1 1 19  -32 16 o 27.414  3.0371  129.022   21.148    109.837   30.825    146.081   29.068    24.684  4.8354  30.144  3.6764  -5.459953      6.074267 
1 1 1 19  -32 17 o 8.9969  2.8504  1.6465    13.487    5.9494    23.017    -0.6032   16.643    9.8456  4.3708  8.1481  3.6599  1.697498       5.700784 
1 1 1 19  -32 18 o 28.389  2.8993  136.553   21.298    134.501   31.335    138.315   29.037    27.842  4.3436  28.935  3.8416  -1.092913      5.798648 
1 1 1 19  -32 19 o 12.097  3.3565  25.731    15.651    30.365    24.498    22.535    20.344    12.670  4.9630  11.523  4.5202  1.147366       6.712917 
1 1 1 19  -32 20 o 9.0344  4.1551  -1.1508   23.096    -1.1508   23.096    0.0000    0.0000    9.0344  4.1551  ?       ?       ?              ?        
1 1 1 19  -32 21 o 9.7284  4.4111  5.4368    24.843    5.4368    24.843    0.0000    0.0000    9.7284  4.4111  ?       ?       ?              ?        
1 1 1 19  -32 22 o 7.6827  3.7316  -21.9450  24.194    -21.9450  24.194    0.0000    0.0000    7.6827  3.7316  ?       ?       ?              ?        
1 1 1 19  -32 23 o 12.984  3.7282  34.139    18.586    57.682    34.914    24.828    21.956    14.553  5.8509  11.415  4.6221  3.137315       7.456356 
1 1 1 19  -32 24 o 17.360  4.9985  65.006    24.502    0.0000    0.0000    65.006    24.502    ?       ?       17.360  4.9985  ?              ?        
1 1 1 19  -32 25 o 19.158  5.2347  83.350    27.626    0.0000    0.0000    83.350    27.626    ?       ?       19.158  5.2347  ?              ?        
1 1 1 19  -32 26 o 11.594  3.1967  25.183    18.105    -15.7656  27.865    55.102    23.818    8.0925  3.9472  15.095  5.0294  -7.001987      6.393356 
1 1 1 19  -32 27 o 18.193  5.7651  94.201    31.514    94.201    31.514    0.0000    0.0000    18.193  5.7651  ?       ?       ?              ?        
1 1 1 19  -31 0  o 14.928  3.2637  36.687    14.656    50.519    22.174    25.957    19.530    17.150  4.6914  12.706  4.5386  4.444726       6.527472 
1 1 1 19  -31 1  f 9.9011  2.8352  1.9720    12.871    26.142    19.981    -15.1694  16.827    12.772  4.5877  7.0297  3.3327  5.742748       5.670477 
1 1 1 19  -31 2  o 33.321  2.3994  167.694   21.105    164.808   30.068    170.496   29.631    32.967  3.4566  33.674  3.3288  -0.7071953     4.798845 
1 1 1 19  -31 3  o 28.370  2.7835  125.691   19.978    161.952   29.252    93.993    27.350    32.764  3.3818  23.975  4.4220  8.789394       5.566932 
1 1 1 19  -31 4  o 14.641  3.1163  36.634    13.836    24.500    21.354    45.415    18.165    12.560  4.7035  16.723  4.0895  -4.163311      6.232684 
1 1 1 19  -31 5  o 12.005  3.1486  21.914    13.478    20.339    19.907    23.248    18.315    11.802  4.5134  12.208  4.3914  -0.4057713     6.297280 
1 1 1 19  -31 6  o 11.316  3.0552  18.194    13.039    12.705    20.229    22.096    17.055    10.696  4.3963  11.935  4.2437  -1.239365      6.110325 
1 1 1 19  -31 7  o 6.4337  2.1452  -11.7592  9.6102    -23.7017  16.399    -5.5122   11.860    6.2968  3.0616  6.5706  3.0055  -0.2738404     4.290318 
1 1 1 19  -31 8  o 25.040  2.9047  101.891   18.462    84.557    26.895    117.338   25.388    22.412  4.6333  27.668  3.5044  -5.256088      5.809346 
1 1 1 19  -31 9  o 31.471  2.6200  153.825   21.652    158.001   31.175    149.934   30.096    31.866  3.7226  31.076  3.6877  0.7904167      5.239935 
1 1 1 19  -31 10 o 23.681  2.9989  91.229    18.220    108.806   26.525    75.527    25.071    26.204  3.8980  21.159  4.5584  5.045256       5.997771 
1 1 1 19  -31 11 o 25.458  2.7854  103.133   18.284    105.494   27.327    101.219   24.603    25.519  4.1398  25.396  3.7278  0.1229820      5.570866 
1 1 1 19  -31 12 o 12.898  2.9867  28.269    12.686    14.976    20.823    36.116    15.998    10.959  4.4772  14.836  3.9541  -3.876778      5.973325 
1 1 1 19  -31 13 o 14.312  3.3896  35.774    15.196    40.052    23.108    32.515    20.171    14.905  4.9533  13.719  4.6285  1.185952       6.779252 
1 1 1 19  -31 14 o 11.012  2.9663  16.171    13.492    -2.3203   21.352    28.462    17.408    9.0180  4.0891  13.005  4.2981  -3.987113      5.932510 
1 1 1 19  -31 15 f 34.141  2.5572  183.248   22.949    173.049   32.874    192.944   32.052    32.965  3.7923  35.316  3.4316  -2.351818      5.114428 
1 1 1 19  -31 16 o 27.340  2.9949  125.733   20.772    107.154   30.499    141.806   28.368    24.692  4.7843  29.988  3.6039  -5.295774      5.989810 
1 1 1 19  -31 17 o 28.000  2.7018  126.318   19.710    134.295   28.541    119.046   27.252    28.901  3.7772  27.099  3.8641  1.802561       5.403566 
1 1 1 19  -31 18 o 17.741  3.3916  58.359    16.646    51.579    24.657    64.037    22.565    16.394  5.0857  19.088  4.4888  -2.694494      6.783298 
1 1 1 19  -31 19 o 11.727  3.2371  22.472    14.919    16.522    22.607    27.063    19.857    11.014  4.5979  12.439  4.5580  -1.425284      6.474253 
1 1 1 19  -31 20 o 12.682  3.3266  28.485    14.844    33.676    23.179    24.876    19.327    13.357  4.9199  12.007  4.4789  1.349802       6.653277 
1 1 1 19  -31 21 o 13.671  3.5220  36.489    16.774    34.298    24.903    38.308    22.695    13.294  5.0567  14.049  4.9038  -0.7541742     7.043955 
1 1 1 19  -31 22 o 13.682  3.6397  38.048    18.125    37.554    25.533    38.550    25.734    13.616  5.1343  13.748  5.1604  -0.1324310     7.279493 
1 1 1 19  -31 23 o 7.4556  3.5919  -18.6792  21.312    -18.6792  21.312    0.0000    0.0000    7.4556  3.5919  ?       ?       ?              ?        
1 1 1 19  -31 24 o 5.9567  2.9949  -50.3867  21.433    -50.3867  21.433    0.0000    0.0000    5.9567  2.9949  ?       ?       ?              ?        
1 1 1 19  -31 25 o 12.455  3.6439  33.738    19.927    26.864    35.814    36.820    23.983    11.821  5.3338  13.089  4.9663  -1.267897      7.287895 
1 1 1 19  -31 26 f 6.2512  3.0684  -24.0196  17.653    0.0000    0.0000    -24.0196  17.653    ?       ?       6.2512  3.0684  ?              ?        
1 1 1 19  -31 27 o 8.8978  4.0913  3.9108    22.374    0.0000    0.0000    3.9108    22.374    ?       ?       8.8978  4.0913  ?              ?        
1 1 1 19  -31 28 o 13.108  3.4971  38.017    18.971    73.721    28.393    9.2199    25.499    16.816  5.4859  9.4000  4.3387  7.416375       6.994195 
1 1 1 19  -31 29 o 8.4075  2.8207  -0.1674   17.136    -3.2185   24.768    2.6344    23.734    8.2624  3.9525  8.5525  4.0254  -0.2901373     5.641445 
1 1 1 19  -30 0  o 10.245  2.8561  10.976    12.347    -2.4937   19.307    20.297    16.061    8.8295  3.9556  11.660  4.1210  -2.830498      5.712237 
1 1 1 19  -30 1  o 20.505  3.0005  68.735    15.979    50.066    22.918    86.396    22.291    17.207  4.7942  23.804  3.6094  -6.596832      6.001025 
1 1 1 19  -30 2  o 25.705  2.6648  102.856   17.399    83.954    25.158    120.184   24.088    22.943  4.2505  28.468  3.2153  -5.525240      5.329656 
1 1 1 19  -30 3  o 17.091  2.9213  49.081    14.287    24.300    20.998    70.444    19.496    12.646  4.6781  21.536  3.5000  -8.889821      5.842523 
1 1 1 19  -30 4  f 10.568  2.9129  13.846    11.766    14.976    18.192    13.033    15.427    10.903  4.2752  10.232  3.9576  0.6711044      5.825756 
1 1 1 19  -30 5  o 9.4280  2.7743  5.2708    11.699    14.459    17.901    -1.5799   15.457    10.785  4.2370  8.0713  3.5825  2.713368       5.548571 
1 1 1 19  -30 6  o 7.7861  2.4182  -4.0229   10.689    -25.1368  17.939    7.5985    13.309    6.6479  3.2254  8.9243  3.6038  -2.276419      4.836379 
1 1 1 19  -30 7  o 16.656  3.1018  44.382    14.166    58.668    21.570    33.547    18.786    19.006  4.3334  14.307  4.4392  4.699137       6.203595 
1 1 1 19  -30 8  o 39.604  2.3108  232.999   24.181    257.412   34.427    209.225   33.973    41.863  3.0921  37.345  3.4348  4.517994       4.621628 
1 1 1 19  -30 9  o 25.004  2.8779  98.265    18.562    108.966   26.950    88.608    25.602    26.443  3.9241  23.565  4.2107  2.878111       5.755713 
1 1 1 19  -30 10 o 18.194  3.0923  52.809    15.602    81.807    23.648    30.456    20.762    22.759  4.0266  13.629  4.6941  9.129245       6.184518 
1 1 1 19  -30 11 o 16.455  3.2913  44.562    15.340    59.364    23.346    33.317    20.349    18.776  4.6633  14.134  4.6459  4.641734       6.582614 
1 1 1 19  -30 12 f 19.743  3.0378  63.026    15.586    73.107    23.225    54.767    21.022    21.266  4.2263  18.220  4.3649  3.046272       6.075694 
1 1 1 19  -30 13 o 17.181  3.1936  48.406    15.054    64.606    22.982    36.232    19.923    19.721  4.4558  14.641  4.5763  5.080216       6.387255 
1 1 1 19  -30 14 o 20.113  3.1863  67.734    16.709    67.521    24.514    67.919    22.836    19.923  4.6743  20.302  4.3314  -0.3793755     6.372577 
1 1 1 19  -30 15 o 9.5206  2.8645  3.2111    12.844    17.153    20.463    -5.8533   16.500    11.286  4.4993  7.7554  3.5466  3.530385       5.729064 
1 1 1 19  -30 16 o 25.934  2.8440  107.759   19.085    116.008   27.813    100.418   26.236    26.927  3.9759  24.940  4.0677  1.987368       5.688004 
1 1 1 19  -30 17 o 16.663  3.3101  49.173    15.456    44.829    22.916    52.799    20.935    15.762  4.9049  17.563  4.4460  -1.800617      6.620105 
1 1 1 19  -30 18 o 15.600  3.3994  43.806    15.548    44.715    23.422    43.089    20.789    15.602  4.9729  15.597  4.6362  0.5238533E-02  6.798838 
1 1 1 19  -30 19 o 18.495  3.3696  61.129    16.720    63.396    25.130    59.328    22.398    18.603  4.9548  18.387  4.5681  0.2162514      6.739247 
1 1 1 19  -30 20 o 13.427  3.1795  32.042    14.775    14.784    22.674    44.780    19.479    10.899  4.5808  15.955  4.4107  -5.056127      6.359086 
1 1 1 19  -30 21 f 8.7219  2.6888  -4.8202   13.896    -37.9203  22.057    16.960    17.893    6.7152  3.3214  10.729  4.2293  -4.013350      5.377614 
1 1 1 19  -30 22 o 8.9243  2.8234  2.0177    13.533    1.7495    22.018    2.1805    17.157    9.2943  4.1890  8.5543  3.7867  0.7400618      5.646823 
1 1 1 19  -30 23 o 12.227  3.1517  23.762    15.718    -1.8082   23.555    44.285    21.103    9.1473  4.2031  15.308  4.6976  -6.160365      6.303399 
1 1 1 19  -30 24 o 12.213  3.4235  26.469    16.605    34.339    25.157    20.394    22.103    13.168  5.0647  11.258  4.6076  1.910006       6.847040 
1 1 1 19  -30 25 o 7.0445  3.4283  -23.5802  20.685    -23.5802  20.685    0.0000    0.0000    7.0445  3.4283  ?       ?       ?              ?        
1 1 1 19  -30 26 o 10.202  4.4661  12.566    23.258    12.566    23.258    0.0000    0.0000    10.202  4.4661  ?       ?       ?              ?        
1 1 1 19  -30 27 o 10.735  3.2787  15.047    19.513    -20.9801  33.738    33.157    23.920    8.9211  4.3496  12.549  4.9073  -3.628028      6.557417 
1 1 1 19  -30 28 o 7.9662  3.7440  -5.7195   20.400    0.0000    0.0000    -5.7195   20.400    ?       ?       7.9662  3.7440  ?              ?        
1 1 1 19  -30 29 o 10.500  3.2418  19.013    17.244    29.325    25.758    10.639    23.212    11.478  4.8565  9.5219  4.2954  1.956476       6.483536 
1 1 1 19  -30 30 o 9.4985  3.0637  12.045    17.231    14.999    25.218    9.4572    23.600    9.7759  4.4371  9.2211  4.2259  0.5547638      6.127464 
1 1 1 19  -30 31 o 6.4790  2.2840  -33.7197  16.055    -49.8374  23.477    -19.5588  22.005    6.0045  3.0331  6.9535  3.4157  -0.9489617     4.568019 
1 1 1 19  -29 0  o 11.095  3.0276  15.699    12.684    14.258    19.570    16.742    16.656    11.063  4.4033  11.127  4.1565  -0.6403923E-01 6.055244 
1 1 1 19  -29 1  o 18.739  2.9732  55.900    14.541    51.496    21.421    59.664    19.802    17.837  4.4875  19.641  3.9016  -1.803938      5.946475 
1 1 1 19  -29 2  o 26.661  2.4723  105.750   17.111    120.958   24.838    92.012    23.607    28.647  3.2972  24.675  3.6846  3.971844       4.944516 
1 1 1 19  -29 3  o 18.749  3.0584  55.862    15.028    57.549    21.899    54.361    20.661    18.976  4.3951  18.522  4.2542  0.4540691      6.116777 
1 1 1 19  -29 4  o 12.383  2.7959  20.070    11.465    38.544    17.451    6.0401    15.208    15.631  4.1126  9.1348  3.7886  6.496199       5.591736 
1 1 1 19  -29 5  o 13.869  2.9327  29.726    11.694    34.611    17.700    25.942    15.578    14.776  4.2467  12.962  4.0457  1.813411       5.865353 
1 1 1 19  -29 6  o 23.308  2.7994  84.743    16.169    128.841   23.658    46.090    22.150    29.835  3.0013  16.781  4.7265  13.05400       5.598865 
1 1 1 19  -29 7  o 15.834  3.0813  39.957    13.448    41.776    19.840    38.410    18.290    16.121  4.4492  15.547  4.2641  0.5741110      6.162571 
1 1 1 19  -29 8  o 16.126  3.0968  41.687    13.701    40.711    20.280    42.507    18.582    15.871  4.5410  16.380  4.2118  -0.5085897     6.193502 
1 1 1 19  -29 9  f 7.6798  2.4460  -7.4626   11.294    -25.0763  18.213    3.5425    14.396    6.7764  3.2784  8.5831  3.6310  -1.806713      4.892070 
1 1 1 19  -29 10 o 35.368  2.3286  184.007   21.734    173.363   31.186    194.059   30.307    34.217  3.4499  36.519  3.1286  -2.302307      4.657194 
1 1 1 19  -29 11 o 49.497  2.2338  356.810   29.416    335.559   41.506    378.255   41.695    47.890  3.2551  51.104  3.0602  -3.214348      4.467686 
1 1 1 19  -29 12 o 13.317  2.9866  28.127    12.642    16.202    19.357    36.997    16.694    11.325  4.4183  15.309  4.0198  -3.984674      5.973270 
1 1 1 19  -29 13 o 34.532  2.3663  176.239   21.575    189.989   31.211    163.657   29.857    35.888  3.2833  33.176  3.4084  2.711620       4.732541 
1 1 1 19  -29 14 o 30.048  2.4722  135.575   19.510    134.321   28.001    136.759   27.199    29.840  3.5744  30.255  3.4162  -0.4147892     4.944394 
1 1 1 19  -29 15 o 10.081  2.7796  8.9599    12.356    -11.5983  19.528    22.684    15.955    8.0261  3.7362  12.136  4.1164  -4.109575      5.559127 
1 1 1 19  -29 16 o 16.511  3.0721  45.714    14.036    35.654    20.956    53.898    18.902    14.580  4.7099  18.442  3.9458  -3.862153      6.144297 
1 1 1 19  -29 17 o 10.297  2.8948  8.6259    12.576    24.495    19.191    -3.3186   16.650    12.489  4.4950  8.1054  3.6489  4.383678       5.789622 
1 1 1 19  -29 18 o 15.028  3.2771  38.840    14.542    35.896    21.835    41.186    19.494    14.434  4.8157  15.623  4.4459  -1.189238      6.554194 
1 1 1 19  -29 19 o 28.814  2.7782  133.258   20.391    111.513   29.647    152.779   28.089    25.950  4.4240  31.678  3.3619  -5.728001      5.556463 
1 1 1 19  -29 20 o 17.899  3.2252  57.571    16.284    37.787    24.196    73.953    22.017    14.451  5.0623  21.346  3.9977  -6.894619      6.450433 
1 1 1 19  -29 21 o 31.850  2.6178  159.130   21.734    186.118   32.215    136.583   29.445    34.534  3.5325  29.166  3.8644  5.367918       5.235643 
1 1 1 19  -29 22 f 12.763  3.3653  27.633    15.436    35.009    23.151    21.729    20.712    13.808  4.9405  11.718  4.5707  2.089921       6.730507 
1 1 1 19  -29 23 o 15.715  3.5271  46.518    16.913    58.416    24.946    36.397    23.008    17.507  5.0443  13.924  4.9312  3.583735       7.054243 
1 1 1 19  -29 24 f 19.744  3.4079  71.783    17.799    76.942    26.567    67.581    23.975    20.261  4.9400  19.226  4.6960  1.034807       6.815874 
1 1 1 19  -29 25 o 11.273  3.2393  19.945    15.531    13.719    22.569    25.546    21.405    10.524  4.5023  12.023  4.6585  -1.498896      6.478585 
1 1 1 19  -29 26 o 9.4379  4.2600  3.6160    22.869    3.6160    22.869    0.0000    0.0000    9.4379  4.2600  ?       ?       ?              ?        
1 1 1 19  -29 27 o 19.534  5.1588  77.340    27.392    77.340    27.392    0.0000    0.0000    19.534  5.1588  ?       ?       ?              ?        
1 1 1 19  -29 28 o 13.032  3.4875  35.455    16.956    29.019    24.724    41.170    23.299    12.105  4.9035  13.960  4.9603  -1.854942      6.974926 
1 1 1 19  -29 29 o 9.4160  4.2622  6.6062    23.082    0.0000    0.0000    6.6062    23.082    ?       ?       9.4160  4.2622  ?              ?        
1 1 1 19  -29 30 o 6.1990  3.0876  -35.7804  20.407    0.0000    0.0000    -35.7804  20.407    ?       ?       6.1990  3.0876  ?              ?        
1 1 1 19  -29 31 o 12.334  3.4845  36.715    18.409    20.756    26.500    51.601    25.592    10.455  4.6626  14.212  5.1795  -3.756881      6.969025 
1 1 1 19  -29 32 o 11.473  3.4402  34.423    18.582    26.373    26.341    42.399    26.218    10.609  4.6944  12.337  5.0302  -1.727964      6.880392 
1 1 1 19  -29 33 o 10.384  4.6956  29.682    27.935    29.682    27.935    0.0000    0.0000    10.384  4.6956  ?       ?       ?              ?        
1 1 1 19  -28 0  o 30.329  2.3533  134.393   18.669    151.296   26.623    118.040   26.186    32.380  3.1079  28.278  3.5345  4.102037       4.706613 
1 1 1 19  -28 1  o 22.617  2.6426  77.220    15.311    68.804    22.326    84.692    21.037    21.200  4.0798  24.033  3.3598  -2.833387      5.285190 
1 1 1 19  -28 2  o 20.247  2.7710  62.023    14.453    74.715    21.001    50.603    19.922    22.422  3.6202  18.072  4.1961  4.350332       5.541914 
1 1 1 19  -28 3  o 17.188  3.0073  45.972    13.747    44.837    20.311    46.931    18.674    16.901  4.4321  17.475  4.0661  -0.5731335     6.014679 
1 1 1 19  -28 4  o 9.5961  2.5076  6.7398    10.336    -14.3993  15.980    21.944    13.552    7.0315  3.3076  12.161  3.7700  -5.129203      5.015265 
1 1 1 19  -28 5  o 8.8398  2.5542  -0.7035   10.220    16.802    16.306    -12.0304  13.116    11.282  4.1309  6.3975  3.0052  4.884676       5.108397 
1 1 1 19  -28 6  o 6.3184  2.0998  -12.0112  9.0917    -22.6905  15.231    -6.0999   11.332    6.1744  2.9899  6.4625  2.9490  -0.2880678     4.199548 
1 1 1 19  -28 7  o 20.236  3.7722  61.328    19.694    0.0000    0.0000    61.328    19.694    ?       ?       20.236  3.7722  ?              ?        
1 1 1 19  -28 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -28 19 o 5.6380  2.7583  -23.6209  13.909    0.0000    0.0000    -23.6209  13.909    ?       ?       5.6380  2.7583  ?              ?        
1 1 1 19  -28 20 o 19.309  3.2986  62.639    16.793    65.068    25.187    60.694    22.532    19.494  4.8450  19.124  4.4776  0.3693218      6.597151 
1 1 1 19  -28 21 o 12.901  3.3099  26.871    14.713    30.328    21.865    24.011    19.888    13.450  4.8025  12.351  4.5561  1.099510       6.619806 
1 1 1 19  -28 22 f 19.156  3.3185  63.713    16.859    63.017    24.929    64.301    22.886    18.848  4.8945  19.464  4.4825  -0.6157627     6.636930 
1 1 1 19  -28 23 o 14.430  3.3461  37.487    15.778    23.868    23.548    48.583    21.255    12.267  4.8467  16.593  4.6147  -4.326178      6.692239 
1 1 1 19  -28 24 o 19.412  3.3479  67.271    17.223    71.443    25.265    63.649    23.539    19.933  4.7914  18.890  4.6771  1.043226       6.695740 
1 1 1 19  -28 25 o 9.4647  2.9501  4.8521    14.559    7.6209    21.216    2.3878    20.016    9.8322  4.2859  9.0972  4.0550  0.7349892      5.900165 
1 1 1 19  -28 26 o 20.468  3.2691  78.523    17.909    55.445    26.162    98.874    24.568    16.546  5.2538  24.389  3.8916  -7.842506      6.538137 
1 1 1 19  -28 27 o 10.520  3.1307  14.962    14.992    16.282    21.722    13.762    20.716    10.717  4.4929  10.324  4.3609  0.3931599      6.261343 
1 1 1 19  -28 28 o 6.5275  3.2074  -28.3954  19.450    -28.3954  19.450    0.0000    0.0000    6.5275  3.2074  ?       ?       ?              ?        
1 1 1 19  -28 29 o 22.137  4.9436  95.753    28.572    95.753    28.572    0.0000    0.0000    22.137  4.9436  ?       ?       ?              ?        
1 1 1 19  -28 30 o 7.7754  2.6697  -20.8399  15.766    -2.0140   27.078    -30.4963  19.393    9.2264  4.3289  6.3243  3.1255  2.902091       5.339340 
1 1 1 19  -28 31 o 10.923  4.6589  22.175    24.034    0.0000    0.0000    22.175    24.034    ?       ?       10.923  4.6589  ?              ?        
1 1 1 19  -28 32 o 10.171  3.2086  17.087    17.744    17.760    25.844    16.486    24.407    10.257  4.5870  10.085  4.4877  0.1719761      6.417173 
1 1 1 19  -28 33 f 10.266  3.2308  19.782    18.072    34.208    26.763    7.6914    24.500    11.476  4.9060  9.0551  4.2051  2.420742       6.461570 
1 1 1 19  -28 34 o 6.3443  2.2458  -36.5510  15.919    -17.6643  22.652    -54.9806  22.376    7.0554  3.4657  5.6332  2.8571  1.422189       4.491543 
1 1 1 19  -27 0  o 19.222  2.8679  55.760    14.334    67.458    20.724    45.029    19.848    21.334  3.7642  17.110  4.3279  4.224613       5.735842 
1 1 1 19  -27 1  o 16.636  2.9743  42.372    13.265    39.739    19.446    44.663    18.142    16.082  4.3910  17.191  4.0130  -1.108961      5.948533 
1 1 1 19  -27 2  o 12.377  2.9714  21.616    13.296    -4.5043   24.148    32.981    15.929    9.9522  4.4437  14.802  3.9459  -4.849356      5.942738 
1 1 1 19  -27 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -27 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -27 5  o 42.979  2.3924  262.929   26.515    260.816   33.720    266.351   42.917    43.072  2.9404  42.885  3.7747  0.1874123      4.784795 
1 1 1 19  -27 6  o 25.104  2.4625  91.082    16.075    98.371    22.974    84.091    22.500    26.166  3.3553  24.041  3.6053  2.124441       4.925038 
1 1 1 19  -27 7  f 15.124  2.8413  32.737    12.185    50.113    18.518    19.468    16.182    18.337  3.8908  11.911  4.1418  6.426101       5.682652 
1 1 1 19  -27 8  o 12.531  2.8664  22.328    11.876    8.5229    18.186    32.592    15.682    10.312  4.1953  14.749  3.9071  -4.437227      5.732893 
1 1 1 19  -27 9  o 27.355  2.5200  108.630   17.599    135.704   25.451    83.822    24.362    30.909  3.1167  23.801  3.9607  7.108110       5.039950 
1 1 1 19  -27 10 o 18.641  2.8719  51.710    14.014    67.335    20.773    38.661    18.984    21.367  3.7673  15.916  4.3357  5.451863       5.743773 
1 1 1 19  -27 11 o 24.861  2.4618  89.657    15.873    99.451    22.717    80.313    22.189    26.303  3.2970  23.420  3.6567  2.883099       4.923584 
1 1 1 19  -27 12 o 18.289  2.8908  51.379    13.850    41.905    20.301    59.628    18.943    16.475  4.4816  20.103  3.6527  -3.627914      5.781637 
1 1 1 19  -27 13 o 9.6536  2.6243  7.7946    10.648    -8.1347   16.828    18.431    13.751    7.8885  3.5974  11.419  3.8218  -3.530337      5.248560 
1 1 1 19  -27 14 o 7.1873  2.2938  -5.0653   9.3077    -12.7964  15.624    -0.8121   11.589    7.0945  3.3157  7.2800  3.1707  -0.1855512     4.587688 
1 1 1 19  -27 15 o 8.6227  2.5183  2.1194    10.307    -12.4499  16.192    12.045    13.365    7.2749  3.3917  9.9705  3.7235  -2.695569      5.036676 
1 1 1 19  -27 16 o 10.482  2.8456  10.290    11.540    21.895    17.748    1.7890    15.189    12.362  4.3353  8.6022  3.6872  3.759727       5.691241 
1 1 1 19  -27 17 o 18.033  2.9304  49.853    13.818    56.828    20.740    44.286    18.530    19.172  4.1584  16.893  4.1299  2.279438       5.860720 
1 1 1 19  -27 18 o 15.529  3.1581  39.083    14.211    28.857    21.616    46.868    18.860    13.720  4.7860  17.338  4.1217  -3.617832      6.316187 
1 1 1 19  -27 19 o 10.927  3.0676  12.300    13.399    20.465    20.611    6.3243    17.633    12.192  4.6093  9.6619  4.0492  2.530457       6.135266 
1 1 1 19  -27 20 o 9.0129  4.0213  -2.2144   19.737    -2.2144   19.737    0.0000    0.0000    9.0129  4.0213  ?       ?       ?              ?        
1 1 1 19  -27 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -27 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -27 23 o 12.139  3.1290  20.067    14.034    36.479    20.858    6.4919    18.969    14.593  4.6972  9.6854  4.1352  4.907267       6.258083 
1 1 1 19  -27 24 o 9.0167  2.6675  -6.4424   13.520    -43.0293  20.504    21.705    17.984    6.2505  3.1103  11.783  4.3347  -5.532405      5.335098 
1 1 1 19  -27 25 o 18.885  3.1737  61.640    16.400    86.332    24.032    40.118    22.436    22.933  4.0610  14.837  4.8783  8.096103       6.347425 
1 1 1 19  -27 26 o 11.132  3.0800  15.772    14.550    -0.9319   20.808    31.754    20.353    8.9401  4.0468  13.324  4.6443  -4.383989      6.160061 
1 1 1 19  -27 27 o 8.8749  2.8252  0.1274    14.194    5.2633    20.179    -4.9022   19.968    9.3927  4.1347  8.3572  3.8510  1.035439       5.650315 
1 1 1 19  -27 28 o 9.5382  2.9362  6.1240    14.406    15.850    20.399    -3.5508   20.346    10.601  4.3917  8.4750  3.8986  2.126399       5.872466 
1 1 1 19  -27 29 o 16.528  5.2070  56.854    25.737    56.854    25.737    0.0000    0.0000    16.528  5.2070  ?       ?       ?              ?        
1 1 1 19  -27 30 o 15.016  5.0894  47.642    24.389    47.642    24.389    0.0000    0.0000    15.016  5.0894  ?       ?       ?              ?        
1 1 1 19  -27 31 o 7.2328  2.5094  -27.7400  15.470    -11.0147  25.029    -38.0788  19.679    8.4156  4.0111  6.0499  3.0164  2.365623       5.018733 
1 1 1 19  -27 32 o 7.4132  3.5764  -16.1249  21.312    0.0000    0.0000    -16.1249  21.312    ?       ?       7.4132  3.5764  ?              ?        
1 1 1 19  -27 33 o 11.465  3.4631  28.832    18.763    37.402    28.103    21.940    25.203    12.247  5.1206  10.683  4.6637  1.563545       6.926123 
1 1 1 19  -27 34 f 14.685  3.8453  61.650    20.145    68.482    29.025    55.301    27.982    15.479  5.5326  13.892  5.3419  1.587268       7.690579 
1 1 1 19  -27 35 o 7.7228  2.6408  -17.0159  17.151    -48.5648  24.010    15.856    24.508    6.0737  3.0680  9.3720  4.2993  -3.298343      5.281679 
1 1 1 19  -26 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -26 1  o 15.699  2.8531  36.707    12.053    37.495    17.457    35.989    16.662    15.847  4.0864  15.551  3.9827  0.2954903      5.706210 
1 1 1 19  -26 2  o 11.968  2.8742  19.223    11.094    24.404    16.232    14.681    15.197    13.019  4.1388  10.918  3.9894  2.101170       5.748482 
1 1 1 19  -26 3  o 14.874  2.8403  32.132    11.899    43.894    17.448    21.906    16.270    17.245  3.8723  12.504  4.1563  4.740721       5.680634 
1 1 1 19  -26 4  f 15.135  2.9150  34.017    12.120    34.045    17.724    33.992    16.611    15.129  4.2163  15.141  4.0264  -0.1120567E-01 5.829982 
1 1 1 19  -26 5  o 10.375  2.5634  13.779    8.5603    14.568    14.070    13.316    10.786    10.747  3.8508  10.003  3.3846  0.7432976      5.126822 
1 1 1 19  -26 6  o 17.856  2.7586  46.419    13.377    74.215    19.814    23.138    18.134    22.800  3.3439  12.913  4.3883  9.887341       5.517189 
1 1 1 19  -26 7  o 10.571  2.7821  12.987    10.436    13.657    16.065    12.498    13.726    10.874  4.0781  10.268  3.7854  0.6061277      5.564242 
1 1 1 19  -26 8  o 48.189  2.0725  323.604   26.604    336.741   37.622    310.465   37.626    49.211  2.8667  47.167  2.9938  2.043621       4.144949 
1 1 1 19  -26 9  o 32.338  2.2565  147.473   19.219    162.304   27.468    133.249   26.900    34.015  3.0473  30.661  3.3290  3.353592       4.513091 
1 1 1 19  -26 10 o 20.617  2.7814  62.083    14.726    81.277    21.708    45.722    20.042    23.782  3.5136  17.451  4.3127  6.331667       5.562786 
1 1 1 19  -26 11 o 5.3640  1.8244  -11.7131  6.6971    -15.9600  12.992    -10.1762  7.8155    6.0565  2.8876  4.6715  2.2307  1.385020       3.648868 
1 1 1 19  -26 12 o 20.009  2.9958  59.901    15.538    59.399    22.586    60.352    21.409    19.870  4.3632  20.149  4.1063  -0.2785149     5.991599 
1 1 1 19  -26 13 o 22.772  2.6407  75.589    15.517    76.318    22.711    74.950    21.251    22.819  3.8530  22.725  3.6123  0.9463310E-01  5.281453 
1 1 1 19  -26 14 o 16.318  2.7276  41.648    13.220    12.170    19.576    66.365    17.925    11.123  4.4114  21.513  3.2090  -10.38914      5.455102 
1 1 1 19  -26 15 o 11.654  2.9742  15.369    12.479    28.214    18.573    4.7982    16.849    13.807  4.4313  9.5020  3.9683  4.304626       5.948383 
1 1 1 19  -26 16 o 8.6790  2.5423  1.9481    9.5503    11.388    15.789    -3.4985   11.993    10.313  3.9996  7.0450  3.1396  3.268019       5.084657 
1 1 1 19  -26 17 o 33.164  2.2754  157.662   19.912    152.164   28.731    162.744   27.623    32.517  3.3464  33.811  3.0841  -1.293728      4.550841 
1 1 1 19  -26 18 o 9.3270  2.7092  1.1180    11.353    16.976    17.851    -9.6548   14.713    11.525  4.3034  7.1289  3.2923  4.396173       5.418332 
1 1 1 19  -26 19 o 17.888  2.9869  51.186    14.454    33.964    21.388    65.665    19.611    14.755  4.7572  21.021  3.6132  -6.266077      5.973844 
1 1 1 19  -26 20 o 24.787  2.6575  91.697    17.058    99.573    24.869    84.699    23.441    25.844  3.6980  23.730  3.8176  2.114143       5.315004 
1 1 1 19  -26 21 o 10.804  2.8932  9.0147    12.249    28.992    19.550    -3.8946   15.716    13.652  4.5569  7.9557  3.5662  5.696607       5.786423 
1 1 1 19  -26 22 o 25.056  2.6955  96.003    17.397    91.350    25.632    99.977    23.690    24.262  4.0898  25.850  3.5124  -1.588491      5.391043 
1 1 1 19  -26 23 o 9.2645  4.0618  1.3445    19.301    1.3445    19.301    0.0000    0.0000    9.2645  4.0618  ?       ?       ?              ?        
1 1 1 19  -26 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -26 25 o 8.8087  3.9168  -0.1708   18.556    0.0000    0.0000    -0.1708   18.556    ?       ?       8.8087  3.9168  ?              ?        
1 1 1 19  -26 26 o 11.997  3.1273  18.910    14.769    39.351    21.309    0.0158    20.487    14.889  4.7431  9.1046  4.0771  5.784248       6.254560 
1 1 1 19  -26 27 o 10.458  3.0641  12.888    14.251    6.7670    20.994    18.118    19.407    9.8034  4.2687  11.113  4.3970  -1.309153      6.128254 
1 1 1 19  -26 28 o 19.062  3.4104  66.698    17.455    75.007    25.501    59.373    23.944    20.302  4.7704  17.823  4.8749  2.479053       6.820701 
1 1 1 19  -26 29 o 19.566  3.3443  70.858    17.624    89.016    25.634    54.582    24.270    22.460  4.4185  16.672  5.0215  5.787325       6.688673 
1 1 1 19  -26 30 o 19.972  5.0951  78.738    27.344    78.738    27.344    0.0000    0.0000    19.972  5.0951  ?       ?       ?              ?        
1 1 1 19  -26 31 o 9.6398  4.2880  7.5321    22.260    7.5321    22.260    0.0000    0.0000    9.6398  4.2880  ?       ?       ?              ?        
1 1 1 19  -26 32 o 12.356  3.5960  32.040    19.399    24.632    33.142    35.900    23.925    11.681  5.2114  13.032  4.9565  -1.351367      7.192059 
1 1 1 19  -26 33 o 11.037  4.6798  22.628    24.002    0.0000    0.0000    22.628    24.002    ?       ?       11.037  4.6798  ?              ?        
1 1 1 19  -26 34 o 11.319  3.2993  22.980    18.325    -4.6984   26.534    48.220    25.338    8.6735  4.1329  13.964  5.1439  -5.290544      6.598534 
1 1 1 19  -26 35 o 10.201  3.1918  19.597    17.758    6.8315    25.629    31.385    24.628    9.0856  4.2464  11.317  4.7663  -2.231539      6.383553 
1 1 1 19  -26 36 o 10.684  3.1561  19.671    18.724    -25.3077  27.550    58.283    25.526    7.2980  3.6273  14.071  5.1660  -6.772585      6.312283 
1 1 1 19  -25 0  o 25.443  2.3272  92.107    15.220    74.655    21.388    110.011   21.663    22.812  3.6214  28.073  2.9238  -5.261101      4.654405 
1 1 1 19  -25 1  o 42.493  2.0043  249.960   22.680    246.198   32.003    253.756   32.147    42.163  2.8506  42.824  2.8184  -0.6605873     4.008619 
1 1 1 19  -25 2  o 55.818  2.0300  430.606   30.245    438.604   42.971    422.753   42.578    56.342  2.8568  55.295  2.8848  1.046581       4.059978 
1 1 1 19  -25 3  o 18.401  2.7573  49.517    13.156    46.375    19.055    52.379    18.187    17.768  4.0888  19.035  3.7004  -1.267122      5.514606 
1 1 1 19  -25 4  o 65.884  2.1024  599.264   37.100    606.532   52.566    592.049   52.368    66.291  2.9605  65.478  2.9860  0.8130646      4.204798 
1 1 1 19  -25 5  o 40.314  2.0547  225.185   22.026    230.082   30.909    220.133   31.395    40.788  2.8471  39.840  2.9633  0.9477768      4.109345 
1 1 1 19  -25 6  o 18.115  2.8525  48.121    13.476    46.541    19.556    49.550    18.595    17.783  4.1769  18.448  3.8858  -0.6657143     5.704940 
1 1 1 19  -25 7  o 51.135  2.0360  361.305   27.771    357.613   39.024    365.092   39.528    50.872  2.8757  51.399  2.8829  -0.5267410     4.071924 
1 1 1 19  -25 8  o 26.588  2.5706  101.763   17.106    135.412   24.681    70.657    23.730    31.181  2.9920  21.994  4.1809  9.186033       5.141171 
1 1 1 19  -25 9  o 57.779  2.0821  462.011   32.114    456.602   45.234    467.507   45.600    57.434  2.9504  58.125  2.9385  -0.6907768     4.164115 
1 1 1 19  -25 10 o 18.685  2.7323  50.840    13.213    51.966    19.132    49.813    18.270    18.870  3.9137  18.500  3.8137  0.3698921      5.464527 
1 1 1 19  -25 11 o 33.743  2.1525  159.348   19.151    175.136   27.029    143.431   27.139    35.515  2.8657  31.972  3.2126  3.543631       4.305039 
1 1 1 19  -25 12 o 14.785  3.0193  32.365    12.699    27.995    18.872    35.981    17.166    13.958  4.4654  15.613  4.0651  -1.654952      6.038616 
1 1 1 19  -25 13 o 41.024  2.0758  234.128   22.653    241.027   32.413    227.540   31.671    41.623  2.9260  40.426  2.9452  1.196609       4.151546 
1 1 1 19  -25 14 o 32.378  2.1948  147.813   18.686    132.879   26.673    162.205   26.185    30.656  3.3004  34.100  2.8941  -3.443804      4.389598 
1 1 1 19  -25 15 f 24.449  2.5196  85.866    15.675    109.006   22.888    65.427    21.511    27.787  3.1298  21.111  3.9494  6.675486       5.039172 
1 1 1 19  -25 16 o 35.098  2.1529  173.071   20.034    178.185   28.685    168.201   27.992    35.612  3.0362  34.585  3.0531  1.027355       4.305866 
1 1 1 19  -25 17 o 31.577  2.2951  143.301   18.815    121.567   27.276    163.030   25.987    29.052  3.5810  34.101  2.8718  -5.048754      4.590275 
1 1 1 19  -25 18 o 30.426  2.3209  133.432   18.365    117.048   26.734    148.072   25.272    28.442  3.5892  32.409  2.9434  -3.967278      4.641709 
1 1 1 19  -25 19 o 12.895  3.0868  23.442    12.738    29.250    18.901    18.608    17.242    13.976  4.4686  11.815  4.2597  2.161644       6.173586 
1 1 1 19  -25 20 o 13.019  2.7157  23.077    12.843    -7.4742   19.856    45.053    16.841    8.6947  3.9428  17.343  3.7356  -8.648522      5.431459 
1 1 1 19  -25 21 o 19.649  2.9034  59.176    14.765    56.408    21.511    61.642    20.303    19.084  4.3100  20.214  3.8912  -1.129465      5.806727 
1 1 1 19  -25 22 o 21.867  2.7618  72.357    15.556    74.524    22.782    70.464    21.294    22.125  3.9911  21.609  3.8187  0.5166035      5.523683 
1 1 1 19  -25 23 o 19.334  2.9564  59.660    14.922    45.898    21.787    71.821    20.480    16.812  4.6708  21.855  3.6257  -5.042738      5.912890 
1 1 1 19  -25 24 o 19.394  3.0194  63.054    15.921    33.550    23.252    89.093    21.844    14.371  4.9666  24.416  3.4351  -10.04482      6.038824 
1 1 1 19  -25 25 o 16.052  3.3392  43.126    15.426    50.389    22.322    36.485    21.342    17.328  4.6934  14.776  4.7510  2.552175       6.678313 
1 1 1 19  -25 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -25 27 o 13.265  3.3680  29.803    15.517    22.724    22.743    35.969    21.225    12.189  4.7799  14.341  4.7463  -2.151956      6.736098 
1 1 1 19  -25 28 o 7.4252  2.4873  -14.3167  13.164    -12.7178  19.240    -15.7240  18.050    7.6726  3.6152  7.1778  3.4171  0.4948497      4.974544 
1 1 1 19  -25 29 o 10.797  3.0963  13.592    14.858    -1.0259   20.957    28.365    21.069    8.9235  4.0482  12.670  4.6862  -3.746200      6.192567 
1 1 1 19  -25 30 o 34.953  2.6709  200.180   24.594    207.549   35.501    193.379   34.103    35.559  3.7855  34.347  3.7689  1.212334       5.341763 
1 1 1 19  -25 31 o 12.975  5.0624  33.372    25.413    33.372    25.413    0.0000    0.0000    12.975  5.0624  ?       ?       ?              ?        
1 1 1 19  -25 32 o 26.144  4.5429  125.203   30.658    125.203   30.658    0.0000    0.0000    26.144  4.5429  ?       ?       ?              ?        
1 1 1 19  -25 33 o 11.823  3.5257  27.201    19.483    17.264    32.465    32.794    24.356    11.082  5.0315  12.564  4.9402  -1.481870      7.051375 
1 1 1 19  -25 34 o 12.711  5.0722  36.970    26.028    0.0000    0.0000    36.970    26.028    ?       ?       12.711  5.0722  ?              ?        
1 1 1 19  -25 35 o 11.025  3.3959  25.563    18.790    26.936    27.233    24.316    25.959    11.152  4.8587  10.897  4.7457  0.2550154      6.791787 
1 1 1 19  -25 36 o 10.274  3.2216  18.717    18.527    39.286    26.477    -1.0163   25.934    12.004  4.9905  8.5444  4.0754  3.459793       6.443183 
1 1 1 19  -25 37 o 7.2748  3.5904  -18.5072  25.290    -18.5072  25.290    0.0000    0.0000    7.2748  3.5904  ?       ?       ?              ?        
1 1 1 19  -24 0  o 20.484  2.5683  62.278    13.192    36.915    18.714    87.327    18.598    15.882  4.2955  25.085  2.8166  -9.202768      5.136651 
1 1 1 19  -24 1  o 32.146  2.0628  143.198   17.518    131.891   24.753    154.544   24.796    30.820  3.0381  33.472  2.7912  -2.651958      4.125598 
1 1 1 19  -24 2  o 29.915  2.0379  123.834   16.126    125.789   22.873    121.902   22.738    30.157  2.8661  29.673  2.8978  0.4839420      4.075777 
1 1 1 19  -24 3  o 22.621  2.3850  72.287    13.823    87.440    19.962    58.327    19.160    25.049  3.0374  20.194  3.6778  4.855145       4.769922 
1 1 1 19  -24 4  o 19.076  2.5913  52.762    12.692    38.859    17.887    66.861    18.013    16.332  4.0961  21.820  3.1752  -5.487762      5.182628 
1 1 1 19  -24 5  o 19.654  2.5448  55.399    12.863    51.535    18.677    58.886    17.743    18.914  3.8181  20.395  3.3654  -1.480173      5.089571 
1 1 1 19  -24 6  o 15.111  2.8972  33.199    12.024    31.586    17.464    34.652    16.581    14.775  4.2092  15.446  3.9823  -0.6714354     5.794496 
1 1 1 19  -24 7  o 42.556  2.0044  249.567   22.682    262.480   31.904    236.370   32.254    43.713  2.7387  41.399  2.9276  2.314022       4.008891 
1 1 1 19  -24 8  o 29.438  2.1946  120.686   17.009    112.924   24.051    128.452   24.057    28.441  3.2135  30.434  2.9898  -1.992996      4.389262 
1 1 1 19  -24 9  o 39.752  2.0462  218.307   21.600    230.880   30.437    205.549   30.659    40.953  2.7914  38.552  2.9926  2.400986       4.092346 
1 1 1 19  -24 10 o 9.4065  2.5565  4.0896    9.7575    18.335    15.068    -6.1966   12.805    11.763  4.0003  7.0503  3.1845  4.712409       5.113026 
1 1 1 19  -24 11 f 7.1337  2.2137  -4.9381   8.7077    -17.2089  13.508    3.7862    11.390    6.1575  2.9382  8.1098  3.3120  -1.952265      4.427461 
1 1 1 19  -24 12 o 46.762  2.0217  301.743   25.199    299.483   35.746    303.975   35.529    46.578  2.8794  46.946  2.8388  -0.3687439     4.043499 
1 1 1 19  -24 13 o 22.475  2.5061  73.407    14.273    58.198    20.746    87.074    19.667    19.994  4.0134  24.956  3.0024  -4.962347      5.012135 
1 1 1 19  -24 14 o 42.467  2.0580  250.385   23.198    231.313   32.996    269.027   32.621    40.793  3.0417  44.141  2.7731  -3.348141      4.116074 
1 1 1 19  -24 15 o 21.981  2.5289  69.451    14.320    66.383    20.914    72.159    19.649    21.431  3.7816  22.530  3.3587  -1.098454      5.057787 
1 1 1 19  -24 16 o 21.397  2.5653  66.116    14.121    63.936    20.736    68.002    19.285    20.977  3.8316  21.817  3.4119  -0.8395596     5.130528 
1 1 1 19  -24 17 o 28.383  2.2073  113.012   16.437    126.742   23.969    100.825   22.583    30.066  3.0170  26.700  3.2229  3.365818       4.414633 
1 1 1 19  -24 18 o 31.647  2.1716  140.660   18.149    151.006   26.170    131.071   25.193    32.804  3.0120  30.491  3.1291  2.313866       4.343196 
1 1 1 19  -24 19 o 12.851  2.9771  22.798    11.914    30.362    17.944    16.835    15.933    14.294  4.3207  11.409  4.0968  2.884207       5.954211 
1 1 1 19  -24 20 o 10.709  2.6970  10.997    11.315    -6.8940   16.537    26.743    15.514    7.9803  3.6104  13.438  4.0076  -5.457296      5.394039 
1 1 1 19  -24 21 o 36.194  2.1931  187.888   20.764    161.363   30.062    212.090   28.715    33.509  3.3963  38.880  2.7756  -5.371010      4.386219 
1 1 1 19  -24 22 o 36.540  2.1693  190.237   21.013    188.891   30.326    191.479   29.142    36.361  3.1448  36.720  2.9889  -0.3596649     4.338592 
1 1 1 19  -24 23 o 27.581  2.4980  112.361   17.843    99.191    25.624    124.758   24.862    25.780  3.8271  29.382  3.2113  -3.602879      4.995924 
1 1 1 19  -24 24 o 15.478  3.1613  38.402    14.177    28.987    20.835    46.519    19.346    13.729  4.7037  17.227  4.2249  -3.497476      6.322581 
1 1 1 19  -24 25 o 9.2830  2.8171  2.5887    12.594    8.3544    18.754    -2.1479   16.998    10.124  4.2036  8.4424  3.7516  1.681137       5.634261 
1 1 1 19  -24 26 o 26.494  2.7221  109.603   18.157    83.752    26.013    134.164   25.356    22.829  4.4138  30.159  3.1871  -7.330107      5.444244 
1 1 1 19  -24 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -24 28 o 20.645  4.4381  71.435    23.811    0.0000    0.0000    71.435    23.811    ?       ?       20.645  4.4381  ?              ?        
1 1 1 19  -24 29 o 8.4910  2.7427  -7.7560   14.225    6.2963    20.844    -20.0056  19.461    9.7773  4.2554  7.2047  3.4615  2.572637       5.485437 
1 1 1 19  -24 30 o 34.339  2.5863  188.617   23.411    191.222   33.670    186.178   32.574    34.504  3.7009  34.173  3.6136  0.3309326      5.172510 
1 1 1 19  -24 31 o 9.4601  2.9609  5.2448    14.842    7.1615    21.094    3.3654    20.888    9.6727  4.2434  9.2475  4.1307  0.4251299      5.921883 
1 1 1 19  -24 32 o 14.175  5.1536  41.697    25.315    41.697    25.315    0.0000    0.0000    14.175  5.1536  ?       ?       ?              ?        
1 1 1 19  -24 33 o 14.686  5.3043  47.514    26.753    47.514    26.753    0.0000    0.0000    14.686  5.3043  ?       ?       ?              ?        
1 1 1 19  -24 34 o 22.808  5.0306  104.395   29.907    0.0000    0.0000    104.395   29.907    ?       ?       22.808  5.0306  ?              ?        
1 1 1 19  -24 35 o 14.045  3.7285  53.481    23.836    3.2173    46.279    71.629    27.807    10.587  5.1467  17.503  5.3960  -6.915503      7.456919 
1 1 1 19  -24 36 o 16.867  2.5844  36.069    20.303    -69.6732  28.928    138.715   28.502    6.4184  3.2546  27.316  4.0154  -20.89726      5.168738 
1 1 1 19  -24 37 o 14.613  3.9192  66.850    22.059    88.831    32.077    47.127    30.384    16.968  5.8352  12.259  5.2337  4.708853       7.838427 
1 1 1 19  -23 0  o 26.526  2.1172  97.780    14.698    87.385    20.765    108.217   20.806    25.040  3.1668  28.011  2.8111  -2.970972      4.234500 
1 1 1 19  -23 1  o 24.675  2.1946  85.068    14.058    96.512    19.912    73.693    19.850    26.429  2.8583  22.920  3.3309  3.508524       4.389200 
1 1 1 19  -23 2  o 28.419  2.0331  111.717   15.212    103.531   21.686    119.646   21.344    27.342  3.0111  29.497  2.7325  -2.154396      4.066107 
1 1 1 19  -23 3  o 20.553  2.3771  59.530    12.634    59.698    17.892    59.364    17.841    20.582  3.3616  20.523  3.3620  0.5906677E-01  4.754274 
1 1 1 19  -23 4  o 28.762  2.0277  114.079   15.413    113.173   21.740    114.995   21.854    28.645  2.8722  28.879  2.8630  -0.2341213     4.055436 
1 1 1 19  -23 5  f 15.774  2.7147  35.710    11.414    41.906    16.492    30.013    15.813    17.091  3.7091  14.456  3.9650  2.635632       5.429391 
1 1 1 19  -23 6  o 39.531  1.9674  214.481   20.679    221.117   28.983    207.600   29.514    40.181  2.7088  38.880  2.8540  1.300564       3.934834 
1 1 1 19  -23 7  o 30.937  2.1374  133.347   17.172    106.995   24.176    160.179   24.396    27.700  3.3250  34.174  2.6868  -6.473896      4.274873 
1 1 1 19  -23 8  o 52.367  1.9967  375.717   27.888    360.346   39.171    391.517   39.713    51.260  2.8644  53.473  2.7824  -2.212109      3.993332 
1 1 1 19  -23 9  o 49.445  1.9874  335.174   26.208    327.659   36.934    342.795   37.194    48.876  2.8334  50.014  2.7876  -1.138264      3.974755 
1 1 1 19  -23 10 o 28.765  2.1500  114.990   16.226    127.389   22.991    102.686   22.903    30.386  2.8584  27.145  3.2123  3.240902       4.299911 
1 1 1 19  -23 11 o 39.587  2.0016  215.571   21.069    206.547   29.739    224.665   29.854    38.730  2.8875  40.444  2.7726  -1.713524      4.003167 
1 1 1 19  -23 12 o 55.883  2.0239  428.788   30.200    406.036   42.687    451.587   42.731    54.323  2.9447  57.443  2.7773  -3.119637      4.047808 
1 1 1 19  -23 13 o 64.273  2.0859  567.490   35.905    559.317   50.865    575.607   50.691    63.797  2.9767  64.749  2.9229  -0.9518623     4.171781 
1 1 1 19  -23 14 o 48.243  2.0059  320.517   25.796    313.493   36.672    327.397   36.292    47.696  2.8841  48.790  2.7887  -1.094078      4.011849 
1 1 1 19  -23 15 o 8.6788  2.5367  1.3873    10.244    -9.9993   15.388    10.449    13.728    7.4242  3.4061  9.9334  3.7601  -2.509213      5.073437 
1 1 1 19  -23 16 o 9.5763  2.6247  6.2748    9.8543    16.406    15.388    -0.7689   12.830    11.378  4.0324  7.7748  3.3611  3.603117       5.249498 
1 1 1 19  -23 17 o 50.397  2.0215  350.932   27.166    363.578   38.938    338.939   37.920    51.291  2.8454  49.503  2.8722  1.787834       4.043032 
1 1 1 19  -23 18 o 36.574  2.0651  185.463   20.020    202.381   29.157    170.374   27.537    38.178  2.8724  34.970  2.9678  3.207848       4.130203 
1 1 1 19  -23 19 o 10.952  2.8390  14.549    10.903    13.026    16.081    15.846    14.832    10.775  4.0718  11.128  3.9573  -0.3535404     5.678009 
1 1 1 19  -23 20 o 33.308  2.1363  155.317   18.787    172.677   27.220    139.525   25.962    35.145  2.9180  31.472  3.1210  3.672567       4.272675 
1 1 1 19  -23 21 f 68.528  2.1694  657.429   39.816    652.735   56.519    662.054   56.101    68.263  3.0912  68.794  3.0446  -0.5307465     4.338762 
1 1 1 19  -23 22 o 12.172  3.0277  19.679    12.614    11.838    18.140    27.018    17.551    10.812  4.2596  13.531  4.3039  -2.719902      6.055384 
1 1 1 19  -23 23 o 27.490  2.3426  108.754   16.891    113.583   24.307    104.244   23.488    28.098  3.2922  26.882  3.3336  1.215683       4.685235 
1 1 1 19  -23 24 o 9.4080  2.7593  4.8792    11.695    -2.2806   17.047    11.244    16.073    8.5518  3.7806  10.264  4.0202  -1.712393      5.518613 
1 1 1 19  -23 25 o 7.0905  2.3398  -12.4015  10.980    -8.1330   15.684    -16.5045  15.377    7.5181  3.4453  6.6629  3.1667  0.8551788      4.679571 
1 1 1 19  -23 26 o 39.682  2.2251  228.716   23.444    224.924   33.473    232.367   32.845    39.298  3.2080  40.067  3.0842  -0.7685890     4.450163 
1 1 1 19  -23 27 o 13.994  3.2745  31.107    14.841    20.092    21.051    41.991    20.926    12.049  4.6333  15.938  4.6283  -3.888612      6.548929 
1 1 1 19  -23 28 o 14.441  4.8066  35.234    21.757    35.234    21.757    0.0000    0.0000    14.441  4.8066  ?       ?       ?              ?        
1 1 1 19  -23 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -23 30 o 8.3857  2.7495  -9.3891   14.849    -0.5870   21.401    -17.5616  20.621    9.1512  4.1267  7.6203  3.6345  1.530946       5.498987 
1 1 1 19  -23 31 o 16.495  3.5127  50.971    17.608    70.827    25.818    33.704    24.076    19.539  4.9326  13.450  5.0026  6.089685       7.025397 
1 1 1 19  -23 32 o 12.157  3.4260  25.407    17.305    14.787    25.242    34.823    23.770    10.893  4.7118  13.420  4.9748  -2.527079      6.852005 
1 1 1 19  -23 33 o 9.4732  4.2776  3.8725    23.086    3.8725    23.086    0.0000    0.0000    9.4732  4.2776  ?       ?       ?              ?        
1 1 1 19  -23 34 o 14.474  3.6408  45.009    19.451    23.522    28.325    64.184    26.758    11.622  5.0091  17.327  5.2848  -5.704827      7.281507 
1 1 1 19  -23 35 o 22.337  5.4878  108.318   32.597    0.0000    0.0000    108.318   32.597    ?       ?       22.337  5.4878  ?              ?        
1 1 1 19  -23 36 o 10.462  3.0064  20.065    13.718    2.2704    28.675    25.346    15.622    9.4206  4.4311  11.503  4.0644  -2.082058      6.012883 
1 1 1 19  -23 37 f 10.067  3.1147  14.404    13.737    35.682    28.276    7.8304    15.716    11.737  5.0308  8.3966  3.6737  3.340202       6.229341 
1 1 1 19  -23 38 o 7.2576  2.4705  -5.7675   12.945    -20.8515  27.691    -1.5488   14.644    7.5384  3.7273  6.9768  3.2437  0.5616736      4.941052 
1 1 1 19  -22 0  o 47.737  1.9410  311.628   24.641    284.049   34.719    339.618   34.978    45.560  2.8596  49.914  2.6255  -4.353600      3.882039 
1 1 1 19  -22 1  o 24.235  2.1248  81.551    13.454    76.868    19.328    85.953    18.738    23.510  3.1484  24.960  2.8541  -1.449448      4.249519 
1 1 1 19  -22 2  o 42.166  1.8996  242.757   21.342    241.594   30.239    243.912   30.125    42.061  2.6983  42.271  2.6745  -0.2091866     3.799201 
1 1 1 19  -22 3  o 47.244  1.9304  304.638   24.323    300.775   34.273    308.559   34.525    46.938  2.7379  47.549  2.7221  -0.6107941     3.860872 
1 1 1 19  -22 4  o 24.515  2.1001  83.129    13.503    85.946    19.167    80.353    19.025    24.945  2.9242  24.085  3.0151  0.8596497      4.200242 
1 1 1 19  -22 5  o 47.817  1.9323  312.369   24.536    276.853   34.348    349.373   35.060    44.986  2.8655  50.649  2.5931  -5.662228      3.864597 
1 1 1 19  -22 6  f 41.373  1.9445  233.851   21.413    223.030   29.971    245.133   30.604    40.380  2.7882  42.366  2.7112  -1.985874      3.889030 
1 1 1 19  -22 7  o 80.095  2.2107  877.537   47.410    906.451   67.234    848.940   66.864    81.430  3.0826  78.759  3.1696  2.671303       4.421353 
1 1 1 19  -22 8  o 41.606  2.0425  237.063   22.611    227.593   31.617    246.977   32.349    40.743  2.9165  42.469  2.8604  -1.725986      4.085082 
1 1 1 19  -22 9  o 55.669  1.9755  422.924   29.387    405.452   41.364    440.730   41.758    54.454  2.8459  56.884  2.7407  -2.429588      3.950980 
1 1 1 19  -22 10 o 37.659  1.9589  194.354   19.609    186.694   27.682    202.070   27.782    36.894  2.8227  38.424  2.7169  -1.529758      3.917806 
1 1 1 19  -22 11 o 53.764  1.9998  395.590   28.697    392.233   40.557    398.956   40.611    53.531  2.8387  53.998  2.8176  -0.4664803     3.999675 
1 1 1 19  -22 12 f 61.018  2.0243  509.079   33.062    490.777   46.902    527.157   46.615    59.901  2.9232  62.135  2.8009  -2.233585      4.048505 
1 1 1 19  -22 13 o 16.864  2.6615  41.430    11.745    34.212    17.153    47.800    16.114    15.379  4.0923  18.348  3.4042  -2.969097      5.323060 
1 1 1 19  -22 14 o 63.168  2.0509  546.534   34.699    551.347   49.363    541.833   48.786    63.441  2.9050  62.896  2.8959  0.5453415      4.101841 
1 1 1 19  -22 15 o 13.392  2.7768  25.792    10.770    19.937    16.077    30.560    14.506    12.233  4.1321  14.550  3.7107  -2.317333      5.553674 
1 1 1 19  -22 16 o 44.755  1.9729  275.301   23.524    282.177   33.795    268.839   32.765    45.295  2.7993  44.215  2.7808  1.079548       3.945757 
1 1 1 19  -22 17 o 51.718  1.9953  368.470   27.509    361.246   39.515    375.262   38.319    51.189  2.8939  52.248  2.7478  -1.059296      3.990598 
1 1 1 19  -22 18 o 14.365  2.8899  30.202    11.955    21.512    17.551    37.724    16.330    12.646  4.3172  16.085  3.8429  -3.439404      5.779745 
1 1 1 19  -22 19 o 53.755  2.0282  399.253   29.084    415.280   41.596    383.922   40.682    54.828  2.8422  52.682  2.8941  2.145741       4.056325 
1 1 1 19  -22 20 o 62.976  2.0798  548.936   35.078    548.396   49.977    549.460   49.247    62.929  2.9650  63.023  2.9173  -0.9404755E-01 4.159559 
1 1 1 19  -22 21 o 20.064  2.7139  58.723    14.039    65.960    20.264    52.044    19.468    21.342  3.6777  18.786  3.9920  2.555523       5.427811 
1 1 1 19  -22 22 o 9.8382  2.6365  6.2295    10.896    -9.9188   15.770    20.981    15.073    7.4812  3.4381  12.195  3.9979  -4.713998      5.272942 
1 1 1 19  -22 23 o 19.185  2.7785  54.820    13.776    52.478    20.027    56.924    18.981    18.704  4.1099  19.666  3.7401  -0.9619732     5.556911 
1 1 1 19  -22 24 o 29.166  2.2485  121.611   17.249    119.920   25.005    123.146   23.824    28.909  3.2878  29.423  3.0681  -0.5143147     4.496975 
1 1 1 19  -22 25 o 33.111  2.2633  157.594   19.776    153.238   28.635    161.565   27.343    32.581  3.3280  33.641  3.0683  -1.059616      4.526651 
1 1 1 19  -22 26 o 40.106  2.1977  231.890   23.314    213.928   33.483    248.796   32.483    38.429  3.2845  41.783  2.9209  -3.354668      4.395384 
1 1 1 19  -22 27 o 10.978  3.0843  13.642    13.542    12.589    19.986    14.536    18.413    10.939  4.4166  11.018  4.3063  -0.7863903E-01 6.168520 
1 1 1 19  -22 28 o 37.935  2.3213  212.463   23.321    210.542   33.724    214.224   32.286    37.668  3.3785  38.203  3.1842  -0.5352783     4.642510 
1 1 1 19  -22 29 o 22.775  4.5046  85.227    26.506    85.227    26.506    0.0000    0.0000    22.775  4.5046  ?       ?       ?              ?        
1 1 1 19  -22 30 o 12.059  5.5094  6.5901    39.695    0.0000    0.0000    6.5901    39.695    ?       ?       12.059  5.5094  ?              ?        
1 1 1 19  -22 31 o 14.294  3.3939  36.424    16.230    21.881    23.111    50.577    22.798    11.918  4.7714  16.669  4.8279  -4.750859      6.787845 
1 1 1 19  -22 32 o 10.171  3.0169  0.3303    15.993    31.845    23.223    -28.0978  22.057    13.152  4.9089  7.1911  3.5084  5.960461       6.033802 
1 1 1 19  -22 33 o 16.719  3.7710  58.321    19.669    71.672    27.670    44.685    27.965    18.888  5.2697  14.549  5.3954  4.338768       7.541905 
1 1 1 19  -22 34 o 11.439  4.9107  20.869    27.018    20.869    27.018    0.0000    0.0000    11.439  4.9107  ?       ?       ?              ?        
1 1 1 19  -22 35 o 13.894  2.6770  40.034    15.553    -36.3212  31.870    63.904    17.819    8.1732  4.0332  19.614  3.5211  -11.44106      5.353976 
1 1 1 19  -22 36 o 11.353  3.8049  -2.3239   15.389    103.006   53.984    -11.6402  16.055    15.967  6.8986  6.7393  3.2123  9.227736       7.609790 
1 1 1 19  -22 37 o 10.723  3.1688  21.115    13.827    25.805    28.988    19.734    15.732    11.100  4.9174  10.347  3.9981  0.7531509      6.337627 
1 1 1 19  -22 38 o 9.8015  3.0381  16.917    13.892    21.567    28.606    15.481    15.891    10.245  4.6790  9.3584  3.8764  0.8862095      6.076171 
1 1 1 19  -21 0  o 34.453  1.9097  162.174   17.463    170.938   24.771    153.513   24.624    35.401  2.6312  33.505  2.7687  1.896351       3.819485 
1 1 1 19  -21 1  f 51.355  1.9125  359.189   26.194    344.781   37.172    373.398   36.916    50.309  2.7692  52.401  2.6386  -2.092266      3.825055 
1 1 1 19  -21 2  o 14.552  2.4851  29.775    9.6285    36.729    14.211    23.875    13.091    16.101  3.4019  13.004  3.6234  3.096766       4.970145 
1 1 1 19  -21 3  o 44.438  2.6633  268.773   31.554    0.0000    0.0000    268.773   31.554    ?       ?       44.438  2.6633  ?              ?        
1 1 1 19  -21 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -21 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -21 6  o 52.536  4.3524  384.590   60.693    384.590   60.693    0.0000    0.0000    52.536  4.3524  ?       ?       ?              ?        
1 1 1 19  -21 7  o 41.431  2.2514  238.467   23.650    246.434   29.686    224.625   39.128    42.553  2.6172  40.309  3.6641  2.244507       4.502851 
1 1 1 19  -21 8  o 51.648  1.9298  362.998   26.587    346.457   37.208    380.253   38.002    50.432  2.7651  52.863  2.6928  -2.431770      3.859666 
1 1 1 19  -21 9  o 27.313  2.1014  102.646   15.116    98.230    21.086    107.315   21.680    26.695  3.0011  27.931  2.9422  -1.235733      4.202754 
1 1 1 19  -21 10 o 48.490  1.9292  320.538   24.941    307.314   35.168    333.919   35.376    47.465  2.7783  49.515  2.6773  -2.050007      3.858397 
1 1 1 19  -21 11 o 36.460  1.9414  181.822   18.811    186.532   26.497    177.037   26.711    36.952  2.6958  35.968  2.7945  0.9841080      3.882816 
1 1 1 19  -21 12 o 55.981  2.3699  433.251   33.914    440.079   42.544    421.350   56.170    56.851  2.7939  55.112  3.8289  1.738789       4.739860 
1 1 1 19  -21 13 o 35.014  4.2297  172.927   38.864    172.927   38.864    0.0000    0.0000    35.014  4.2297  ?       ?       ?              ?        
1 1 1 19  -21 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -21 15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -21 16 o 26.808  2.9606  99.592    20.904    0.0000    0.0000    99.592    20.904    ?       ?       26.808  2.9606  ?              ?        
1 1 1 19  -21 17 o 22.765  2.3736  74.713    13.639    58.042    19.907    89.460    18.723    20.105  3.8367  25.424  2.7956  -5.318661      4.747148 
1 1 1 19  -21 18 o 35.473  2.0250  173.591   19.064    176.564   27.532    170.853   26.424    35.753  2.8999  35.193  2.8271  0.5598717      4.049942 
1 1 1 19  -21 19 o 22.097  2.4297  69.968    13.753    60.298    19.923    78.772    19.010    20.474  3.7721  23.721  3.0635  -3.247242      4.859406 
1 1 1 19  -21 20 o 45.984  1.9827  291.618   24.293    303.607   34.841    280.276   33.889    46.915  2.7851  45.053  2.8226  1.862518       3.965304 
1 1 1 19  -21 21 o 25.700  2.3070  92.825    15.445    105.238   22.588    81.924    21.167    27.377  3.1370  24.022  3.3835  3.354645       4.613972 
1 1 1 19  -21 22 o 31.852  2.1250  142.096   17.882    138.750   25.840    145.171   24.772    31.442  3.1090  32.262  2.8976  -0.8206005     4.249915 
1 1 1 19  -21 23 o 19.837  2.7397  60.816    13.962    33.630    20.199    85.690    19.321    15.023  4.5935  24.652  2.9871  -9.628511      5.479330 
1 1 1 19  -21 24 o 15.267  2.7879  35.263    12.751    13.353    18.608    54.657    17.508    11.161  4.3382  19.374  3.5028  -8.213387      5.575772 
1 1 1 19  -21 25 o 15.779  2.9913  37.496    13.275    50.169    19.205    25.898    18.371    18.249  4.0361  13.309  4.4162  4.939778       5.982696 
1 1 1 19  -21 26 o 31.882  2.3038  145.965   19.243    168.842   27.901    125.212   26.575    34.407  3.0594  29.357  3.4452  5.049965       4.607507 
1 1 1 19  -21 27 o 10.855  2.9259  10.515    12.624    26.173    18.879    -2.1482   16.978    13.197  4.4777  8.5122  3.7675  4.684870       5.851805 
1 1 1 19  -21 28 o 10.366  3.0404  8.7604    13.798    11.412    20.574    6.5927    18.601    10.853  4.4440  9.8792  4.1505  0.9733543      6.080776 
1 1 1 19  -21 29 o 9.6794  2.9439  2.9132    14.225    -7.5152   20.795    12.084    19.501    8.6821  3.9744  10.677  4.3440  -1.994740      5.887851 
1 1 1 19  -21 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -21 31 o 15.788  3.2258  42.869    20.022    -16.8277  32.058    81.047    25.637    9.6996  4.5990  21.876  4.5248  -12.17625      6.451680 
1 1 1 19  -21 32 o 16.082  3.6528  49.822    18.326    38.748    26.334    60.220    25.519    14.267  5.2458  17.896  5.0847  -3.629059      7.305621 
1 1 1 19  -21 33 o 14.892  3.3760  38.586    14.261    52.492    26.196    32.729    17.000    16.151  5.2694  13.634  4.2217  2.517085       6.752032 
1 1 1 19  -21 34 o 26.051  5.0200  128.264   33.758    128.264   33.758    0.0000    0.0000    26.051  5.0200  ?       ?       ?              ?        
1 1 1 19  -21 35 o 14.371  3.5211  35.373    17.405    72.840    28.987    14.249    21.765    18.381  5.4771  10.360  4.4265  8.020678       7.042174 
1 1 1 19  -21 36 o 7.5635  3.4566  -2.2114   15.641    0.0000    0.0000    -2.2114   15.641    ?       ?       7.5635  3.4566  ?              ?        
1 1 1 19  -21 37 o 10.756  3.2202  19.353    14.781    28.831    27.787    15.612    17.455    11.643  4.9887  9.8697  4.0733  1.773468       6.440449 
1 1 1 19  -21 38 o 14.263  3.2546  50.567    16.021    31.346    31.420    57.320    18.624    11.308  5.0576  17.218  4.0975  -5.909739      6.509140 
1 1 1 19  -21 39 o 10.036  3.3387  20.266    22.117    9.2855    27.900    38.835    36.281    9.1040  4.3089  10.967  5.1011  -1.863079      6.677422 
1 1 1 19  -20 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -20 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -20 2  o 53.856  1.8968  393.105   27.305    405.943   38.797    380.505   38.437    54.770  2.6446  52.943  2.7197  1.826767       3.793515 
1 1 1 19  -20 3  o 12.723  2.5047  22.816    8.9251    18.992    12.973    26.252    12.298    11.825  3.6924  13.622  3.3853  -1.797367      5.009377 
1 1 1 19  -20 4  o 12.746  2.5547  22.421    9.3811    29.928    13.396    15.196    13.142    14.535  3.4857  10.957  3.7357  3.578463       5.109405 
1 1 1 19  -20 5  o 34.964  1.8917  166.319   17.578    163.758   24.564    169.008   25.166    34.689  2.6640  35.239  2.6865  -0.5499496     3.783403 
1 1 1 19  -20 6  o 24.028  2.1441  79.882    13.385    89.868    18.916    69.868    18.943    25.609  2.8035  22.447  3.2449  3.162603       4.288219 
1 1 1 19  -20 7  o 31.356  1.9952  134.601   16.393    111.820   22.845    158.786   23.538    28.545  3.0344  34.167  2.5914  -5.621342      3.990334 
1 1 1 19  -20 8  o 15.536  2.5701  34.291    10.686    45.058    15.287    24.001    14.944    17.922  3.3062  13.149  3.9358  4.772661       5.140237 
1 1 1 19  -20 9  o 71.013  2.0528  684.323   39.045    683.942   55.299    684.703   55.138    70.991  2.9082  71.034  2.8980  -0.4278564E-01 4.105596 
1 1 1 19  -20 10 o 13.689  2.6052  26.406    9.7457    28.374    14.356    24.724    13.272    14.142  3.7347  13.235  3.6334  0.9067478      5.210497 
1 1 1 19  -20 11 o 16.001  2.5026  36.336    10.440    36.635    14.927    36.050    14.606    16.063  3.5627  15.939  3.5156  0.1234360      5.005252 
1 1 1 19  -20 12 o 32.396  1.9452  143.469   16.717    142.238   23.787    144.669   23.497    32.251  2.7808  32.541  2.7208  -0.2904434     3.890480 
1 1 1 19  -20 13 o 28.507  2.0713  111.372   15.498    127.589   22.565    96.892    21.322    30.518  2.7914  26.495  3.0608  4.022568       4.142522 
1 1 1 19  -20 14 o 73.501  2.1034  736.273   41.391    766.942   59.082    706.711   58.005    75.018  2.9403  71.983  3.0085  3.035080       4.206703 
1 1 1 19  -20 15 o 15.789  2.7017  35.954    11.275    33.483    16.886    37.942    15.145    15.270  4.0589  16.307  3.5668  -1.036922      5.403383 
1 1 1 19  -20 16 o 37.708  1.9295  194.584   19.350    198.657   27.816    190.765   26.934    38.088  2.7450  37.329  2.7124  0.7582970      3.858988 
1 1 1 19  -20 17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -20 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -20 19 o 23.192  2.3799  77.110    14.022    61.511    20.289    91.373    19.401    20.716  3.7965  25.669  2.8710  -4.952988      4.759840 
1 1 1 19  -20 20 o 36.940  2.0092  187.911   19.617    215.054   28.460    163.342   27.076    39.541  2.7034  34.339  2.9732  5.202431       4.018495 
1 1 1 19  -20 21 o 38.086  1.9955  200.544   20.192    197.433   29.046    203.454   28.091    37.769  2.8932  38.403  2.7491  -0.6343651     3.991020 
1 1 1 19  -20 22 o 28.330  2.2016  112.940   16.336    104.979   23.683    120.165   22.563    27.285  3.3083  29.376  2.9056  -2.091753      4.403138 
1 1 1 19  -20 23 o 23.744  2.4669  80.648    15.195    79.062    21.972    82.103    21.036    23.465  3.6118  24.024  3.3611  -0.5595112     4.933770 
1 1 1 19  -20 24 o 9.6727  2.7217  6.3862    11.067    -2.6088   15.826    14.996    15.483    8.3221  3.6626  11.023  4.0270  -2.701116      5.443455 
1 1 1 19  -20 25 o 29.050  2.3229  119.774   17.690    133.727   25.863    107.507   24.251    30.697  3.1921  27.403  3.3754  3.294510       4.645748 
1 1 1 19  -20 26 o 17.519  3.0656  47.581    14.635    34.134    21.054    60.151    20.356    14.962  4.7089  20.075  3.9264  -5.113418      6.131103 
1 1 1 19  -20 27 o 23.619  2.7694  83.120    16.876    90.078    24.730    77.057    23.086    24.576  3.8860  22.662  3.9468  1.914471       5.538790 
1 1 1 19  -20 28 o 19.749  3.2135  61.707    16.738    73.255    24.109    50.960    23.257    21.729  4.2946  17.769  4.7815  3.960510       6.426948 
1 1 1 19  -20 29 o 22.264  3.1642  83.392    18.264    48.179    26.781    114.010   24.973    16.812  5.3132  27.716  3.4378  -10.90363      6.328370 
1 1 1 19  -20 30 o 12.271  3.2825  16.969    16.423    38.790    23.539    -3.7257   22.923    15.124  4.9980  9.4182  4.2568  5.706288       6.565099 
1 1 1 19  -20 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -20 32 o 13.064  3.1287  21.723    12.683    50.577    23.712    10.161    15.010    16.658  4.9514  9.4691  3.8261  7.188809       6.257378 
1 1 1 19  -20 33 f 10.971  3.1560  14.424    13.105    27.313    25.426    9.7622    15.292    12.601  5.0180  9.3416  3.8290  3.259304       6.311986 
1 1 1 19  -20 34 o 9.4983  2.9163  6.8618    12.078    13.712    24.439    4.6479    13.894    10.747  4.6423  8.2500  3.5311  2.496626       5.832617 
1 1 1 19  -20 35 o 10.579  4.6455  12.785    25.336    12.785    25.336    0.0000    0.0000    10.579  4.6455  ?       ?       ?              ?        
1 1 1 19  -20 36 o 17.629  3.7609  62.546    17.478    78.752    36.970    57.882    19.835    17.322  6.2384  17.935  4.2024  -0.6128159     7.521806 
1 1 1 19  -20 37 o 12.715  3.3849  35.605    15.999    0.9430    52.353    39.175    16.803    10.967  5.3626  14.463  4.1318  -3.495495      6.769720 
1 1 1 19  -20 38 f 10.912  3.1835  22.450    14.017    28.475    26.941    20.214    16.414    11.389  4.8968  10.435  4.0693  0.9539700      6.366926 
1 1 1 19  -20 39 o 12.382  3.1236  39.099    16.697    0.9469    32.328    52.979    19.500    9.0961  4.3924  15.668  4.4423  -6.571895      6.247222 
1 1 1 19  -19 0  o 41.021  1.8414  228.261   20.120    234.460   28.383    221.999   28.525    41.592  2.5602  40.451  2.6473  1.141354       3.682787 
1 1 1 19  -19 1  o 60.136  1.9211  488.721   30.942    487.322   43.871    490.105   43.648    60.049  2.7276  60.224  2.7059  -0.1755600     3.842105 
1 1 1 19  -19 2  o 18.712  2.2508  48.743    10.874    50.375    15.407    47.124    15.350    19.042  3.1295  18.382  3.2358  0.6602974      4.501588 
1 1 1 19  -19 3  o 10.705  2.3298  13.170    8.1512    25.886    12.073    2.5158    11.050    13.549  3.3464  7.8616  3.2424  5.687385       4.659523 
1 1 1 19  -19 4  o 74.541  2.0672  751.608   41.271    763.404   58.410    739.848   58.321    75.131  2.9025  73.952  2.9443  1.178688       4.134481 
1 1 1 19  -19 5  o 34.420  1.9205  161.146   17.544    165.746   24.527    156.326   25.106    34.940  2.6402  33.900  2.7897  1.040592       3.841016 
1 1 1 19  -19 6  o 42.042  1.8813  239.620   21.074    239.334   29.556    239.915   30.056    42.020  2.6394  42.064  2.6816  -0.4311752E-01 3.762669 
1 1 1 19  -19 7  o 55.167  1.9087  411.559   28.146    396.313   39.501    427.282   40.115    54.088  2.7355  56.245  2.6628  -2.156380      3.817497 
1 1 1 19  -19 8  o 60.112  1.9503  488.631   31.389    501.289   44.262    475.823   44.522    60.904  2.7133  59.319  2.8022  1.584991       3.900507 
1 1 1 19  -19 9  o 68.320  2.0324  631.738   37.192    631.891   52.698    631.586   52.497    68.327  2.8794  68.313  2.8691  0.1388550E-01  4.064820 
1 1 1 19  -19 10 o 16.711  2.4844  39.673    10.773    33.470    15.429    45.572    15.048    15.363  3.7762  18.059  3.2295  -2.695698      4.968790 
1 1 1 19  -19 11 o 68.852  2.0583  642.521   37.954    640.408   54.092    644.569   53.268    68.733  2.9382  68.971  2.8834  -0.2383194     4.116669 
1 1 1 19  -19 12 o 76.430  2.1378  792.812   43.752    819.230   62.407    767.275   61.356    77.690  2.9990  75.170  3.0474  2.520103       4.275601 
1 1 1 19  -19 13 o 28.969  1.9834  114.826   15.177    114.952   22.029    114.711   20.940    28.969  2.8772  28.970  2.7308  -0.1220703E-02 3.966770 
1 1 1 19  -19 14 o 67.547  2.0252  619.426   36.633    636.278   52.406    603.323   51.227    68.447  2.8585  66.648  2.8696  1.799736       4.050402 
1 1 1 19  -19 15 o 20.318  2.3142  57.555    12.118    65.549    17.618    50.378    16.693    21.719  3.1180  18.916  3.4206  2.802423       4.628411 
1 1 1 19  -19 16 o 40.538  1.8953  223.907   20.446    236.765   29.482    211.994   28.379    41.670  2.6554  39.407  2.7050  2.262596       3.790526 
1 1 1 19  -19 17 o 54.004  1.9416  397.429   28.030    407.656   40.005    387.566   39.286    54.726  2.7292  53.282  2.7622  1.443390       3.883103 
1 1 1 19  -19 18 f 36.571  1.9665  185.524   18.816    152.439   26.908    217.183   26.322    33.237  3.0568  39.905  2.4748  -6.667915      3.933029 
1 1 1 19  -19 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -19 20 o 5.4424  2.7258  -46.8141  16.907    0.0000    0.0000    -46.8141  16.907    ?       ?       5.4424  2.7258  ?              ?        
1 1 1 19  -19 21 o 7.8604  2.3941  -3.0267   9.6965    -13.7522  14.355    5.9726    13.150    6.7436  3.1602  8.9772  3.5973  -2.233653      4.788209 
1 1 1 19  -19 22 o 26.450  2.2456  97.999    15.542    98.639    22.892    97.451    21.169    26.485  3.2985  26.414  3.0481  0.7163620E-01  4.491164 
1 1 1 19  -19 23 o 39.464  2.0360  216.072   21.341    210.974   30.781    220.791   29.615    38.970  2.9713  39.958  2.7845  -0.9874573     4.072083 
1 1 1 19  -19 24 o 33.251  2.1573  154.375   18.977    164.120   27.543    145.570   26.182    34.264  3.0325  32.239  3.0691  2.024853       4.314571 
1 1 1 19  -19 25 o 29.766  2.2831  125.114   17.888    130.832   26.129    120.070   24.540    30.396  3.2603  29.136  3.1970  1.259090       4.566184 
1 1 1 19  -19 26 o 9.7256  2.6003  -0.0126   11.862    -28.2129  17.400    24.473    16.213    6.4775  3.1505  12.974  4.1377  -6.496045      5.200618 
1 1 1 19  -19 27 o 19.855  3.0353  62.144    16.000    37.442    23.072    85.032    22.208    15.558  4.9332  24.152  3.5378  -8.594658      6.070610 
1 1 1 19  -19 28 o 14.537  3.4234  32.566    15.607    32.210    22.539    32.894    21.632    14.485  4.8925  14.589  4.7899  -0.1038618     6.846889 
1 1 1 19  -19 29 f 9.7805  2.8398  7.6308    10.916    10.617    20.641    6.4714    12.862    10.810  4.4417  8.7508  3.5397  2.059258       5.679619 
1 1 1 19  -19 30 o 22.463  2.9341  82.945    15.735    66.869    27.177    91.051    19.299    19.893  5.0821  25.034  2.9339  -5.141056      5.868159 
1 1 1 19  -19 31 o 8.8299  3.9537  -2.0870   19.260    -2.0870   19.260    0.0000    0.0000    8.8299  3.9537  ?       ?       ?              ?        
1 1 1 19  -19 32 o 10.104  2.9645  11.169    12.064    0.4241    26.630    13.943    13.532    10.178  4.5953  10.031  3.7466  0.1473913      5.929015 
1 1 1 19  -19 33 o 12.670  3.2042  23.508    12.608    40.012    24.150    17.324    14.783    14.651  5.0617  10.688  3.9303  3.962873       6.408423 
1 1 1 19  -19 34 o 9.1774  2.7491  6.7656    12.319    -15.3506  23.745    14.911    14.410    8.2663  3.9307  10.088  3.8443  -1.822174      5.498102 
1 1 1 19  -19 35 o 15.259  5.3749  49.081    27.298    49.081    27.298    0.0000    0.0000    15.259  5.3749  ?       ?       ?              ?        
1 1 1 19  -19 36 o 18.513  3.5094  64.279    16.646    77.559    30.932    58.865    19.750    18.749  5.6739  18.277  4.1316  0.4726791      7.018796 
1 1 1 19  -19 37 o 13.487  4.4438  35.332    18.613    0.0000    0.0000    35.332    18.613    ?       ?       13.487  4.4438  ?              ?        
1 1 1 19  -19 38 f 23.321  3.6250  105.995   20.207    139.844   38.505    93.129    23.739    24.036  5.9997  22.606  4.0703  1.430155       7.250098 
1 1 1 19  -19 39 o 12.654  3.4592  39.400    16.331    41.745    31.411    38.532    19.118    12.123  5.2499  13.185  4.5057  -1.062048      6.918334 
1 1 1 19  -18 0  o 60.527  1.9171  494.256   31.079    494.362   44.085    494.152   43.820    60.532  2.7191  60.522  2.7031  0.1020813E-01  3.834105 
1 1 1 19  -18 1  o 59.329  1.9013  474.755   30.213    470.753   42.802    478.730   42.652    59.078  2.7049  59.581  2.6727  -0.5034599     3.802612 
1 1 1 19  -18 2  o 41.892  1.8100  237.363   20.209    231.552   28.484    243.252   28.676    41.370  2.5834  42.414  2.5358  -1.043839      3.619987 
1 1 1 19  -18 3  f 69.442  2.0067  650.708   37.324    652.338   52.677    649.065   52.893    69.531  2.8285  69.353  2.8474  0.1781235      4.013471 
1 1 1 19  -18 4  o 128.932 2.8117  2259.25   97.097    2265.54   137.740   2253.03   136.897   129.107 3.9831  128.757 3.9695  0.3505402      5.623331 
1 1 1 19  -18 5  o 112.739 2.5928  1723.82   78.290    1710.75   111.023   1736.75   110.418   112.304 3.6909  113.173 3.6426  -0.8687668     5.185623 
1 1 1 19  -18 6  o 122.327 2.7246  2032.98   89.240    1980.05   126.508   2085.40   125.904   120.715 3.9126  123.938 3.7927  -3.223511      5.449114 
1 1 1 19  -18 7  o 86.645  2.2130  1015.17   51.347    990.249   72.608    1040.11   72.623    85.571  3.1679  87.719  3.0909  -2.148186      4.425987 
1 1 1 19  -18 8  o 103.679 2.4498  1457.91   67.980    1399.95   96.444    1515.15   95.836    101.601 3.5439  105.757 3.3832  -4.156151      4.899558 
1 1 1 19  -18 9  o 65.050  1.9877  571.323   34.631    580.961   49.263    561.905   48.694    65.594  2.8039  64.507  2.8182  1.087456       3.975485 
1 1 1 19  -18 10 o 91.065  2.3036  1124.03   56.165    1099.57   79.977    1147.84   78.894    90.069  3.3151  92.062  3.1994  -1.993629      4.607213 
1 1 1 19  -18 11 o 62.450  1.9845  527.164   33.188    523.512   47.352    530.690   46.528    62.230  2.8409  62.670  2.7718  -0.4391937     3.969086 
1 1 1 19  -18 12 o 64.723  2.0098  566.531   34.836    573.607   49.803    559.751   48.746    65.116  2.8555  64.331  2.8290  0.7853470      4.019556 
1 1 1 19  -18 13 o 29.540  1.9544  118.903   15.273    123.739   22.073    114.460   21.156    30.119  2.7669  28.960  2.7609  1.159718       3.908772 
1 1 1 19  -18 14 o 50.496  1.8912  346.132   25.476    329.954   36.505    361.492   35.569    49.285  2.7767  51.706  2.5683  -2.421913      3.782307 
1 1 1 19  -18 15 f 34.927  1.8928  166.077   17.567    169.828   25.236    162.551   24.468    35.309  2.6885  34.545  2.6649  0.7639389      3.785506 
1 1 1 19  -18 16 o 44.559  1.8803  270.214   22.326    265.801   31.932    274.435   31.228    44.188  2.7110  44.930  2.6061  -0.7418442     3.760541 
1 1 1 19  -18 17 o 34.886  1.9665  168.801   17.882    136.927   25.706    198.688   24.892    31.547  3.0815  38.224  2.4441  -6.676201      3.933089 
1 1 1 19  -18 18 o 27.030  2.1357  103.252   14.698    78.934    21.266    125.492   20.338    23.755  3.4426  30.306  2.5285  -6.551270      4.271451 
1 1 1 19  -18 19 o 31.850  1.9753  140.600   16.473    119.378   23.602    160.756   23.001    29.395  3.0417  34.305  2.5209  -4.910391      3.950580 
1 1 1 19  -18 20 o 35.404  2.8920  172.517   27.185    172.517   27.185    0.0000    0.0000    35.404  2.8920  ?       ?       ?              ?        
1 1 1 19  -18 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -18 22 o 17.240  2.8062  44.762    13.162    25.077    19.227    62.126    18.057    13.523  4.5190  20.956  3.3282  -7.433134      5.612352 
1 1 1 19  -18 23 o 42.763  2.0506  254.034   23.214    231.113   33.439    275.359   32.253    40.798  3.0828  44.728  2.7049  -3.930481      4.101241 
1 1 1 19  -18 24 o 53.412  2.0545  394.697   29.274    405.392   41.965    384.559   40.858    54.118  2.9057  52.706  2.9055  1.412514       4.109085 
1 1 1 19  -18 25 o 33.771  2.3013  161.029   20.482    149.765   29.344    171.730   28.601    32.523  3.4198  35.020  3.0805  -2.497173      4.602694 
1 1 1 19  -18 26 o 17.913  3.1131  48.335    14.883    55.121    21.408    41.986    20.706    19.177  4.2767  16.649  4.5249  2.527922       6.226155 
1 1 1 19  -18 27 o 28.000  2.2610  110.621   15.928    115.635   26.829    107.892   19.794    28.251  3.6295  27.748  2.6973  0.5031700      4.522000 
1 1 1 19  -18 28 f 11.161  2.8196  16.596    10.083    14.281    19.041    17.497    11.887    11.267  4.3860  11.056  3.5447  0.2115135      5.639290 
1 1 1 19  -18 29 o 35.671  2.1148  174.010   19.483    217.710   32.457    149.396   24.359    38.925  3.1398  32.416  2.8340  6.508553       4.229622 
1 1 1 19  -18 30 o 42.592  2.2612  267.584   24.539    246.559   39.622    280.666   31.254    40.675  3.6766  44.509  2.6333  -3.834530      4.522322 
1 1 1 19  -18 31 o 14.721  3.0730  35.934    12.761    29.922    22.776    38.684    15.406    13.677  4.8996  15.764  3.7102  -2.087185      6.145905 
1 1 1 19  -18 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -18 33 o 16.133  2.9450  49.819    14.028    20.986    25.333    62.570    16.847    12.050  4.9325  20.216  3.2192  -8.165545      5.890087 
1 1 1 19  -18 34 o 17.258  3.3013  49.468    14.703    68.207    26.733    41.343    17.604    18.989  5.1334  15.527  4.1523  3.462071       6.602512 
1 1 1 19  -18 35 o 13.098  3.1029  30.434    16.164    -6.3480   27.029    50.911    20.168    9.3352  4.3623  16.861  4.4139  -7.525706      6.205869 
1 1 1 19  -18 36 o 23.459  5.7986  116.461   36.227    116.461   36.227    0.0000    0.0000    23.459  5.7986  ?       ?       ?              ?        
1 1 1 19  -18 37 o 8.3891  3.6412  5.0271    15.179    0.0000    0.0000    5.0271    15.179    ?       ?       8.3891  3.6412  ?              ?        
1 1 1 19  -18 38 o 12.590  3.4280  33.649    15.914    31.949    31.182    34.248    18.506    12.074  5.2298  13.105  4.4332  -1.030964      6.855966 
1 1 1 19  -18 39 o 7.4076  2.5374  -9.7252   13.082    -17.1236  28.457    -7.7427   14.731    8.1708  3.9862  6.6445  3.1406  1.526313       5.074753 
1 1 1 19  -17 0  o 114.120 2.5864  1762.88   79.055    1764.87   112.272   1760.93   111.336   114.179 3.6711  114.061 3.6443  0.1189041      5.172791 
1 1 1 19  -17 1  o 37.496  1.7898  190.082   17.870    189.334   25.173    190.842   25.371    37.422  2.5262  37.570  2.5360  -0.1480064     3.579506 
1 1 1 19  -17 2  o 72.835  2.0400  715.009   39.796    705.833   56.230    724.218   56.331    72.364  2.9011  73.305  2.8690  -0.9415741     4.080093 
1 1 1 19  -17 3  o 137.914 2.9361  2581.42   108.425   2512.62   153.637   2649.68   153.035   136.056 4.2159  139.773 4.0877  -3.717377      5.872245 
1 1 1 19  -17 4  o 29.240  2.1371  116.430   16.483    110.619   23.020    122.544   23.613    28.477  3.0664  30.004  2.9775  -1.526745      4.274149 
1 1 1 19  -17 5  o 134.814 2.8824  2465.21   104.076   2444.76   147.557   2485.45   146.815   134.246 4.1037  135.381 4.0488  -1.135345      5.764774 
1 1 1 19  -17 6  o 125.453 2.7642  2133.61   92.846    2071.22   131.587   2195.46   131.022   123.601 3.9747  127.305 3.8425  -3.703934      5.528352 
1 1 1 19  -17 7  o 114.419 2.5920  1773.33   79.372    1698.65   112.552   1847.21   111.950   111.992 3.7521  116.846 3.5770  -4.854073      5.183955 
1 1 1 19  -17 8  o 105.199 2.4857  1497.26   70.037    1502.15   99.650    1492.49   98.455    105.364 3.5310  105.034 3.4996  0.3298035      4.971426 
1 1 1 19  -17 9  o 39.344  1.8649  209.364   19.533    216.001   27.976    203.050   27.285    39.956  2.6288  38.732  2.6459  1.224197       3.729770 
1 1 1 19  -17 10 o 38.171  1.8783  197.211   19.079    202.368   27.357    192.328   26.622    38.658  2.6582  37.683  2.6545  0.9750748      3.756653 
1 1 1 19  -17 11 o 49.006  1.8943  324.775   24.758    326.109   35.622    323.529   34.435    49.096  2.7194  48.915  2.6380  0.1806602      3.788684 
1 1 1 19  -17 12 o 112.888 2.5856  1730.24   78.164    1779.14   111.210   1682.49   109.883   114.477 3.6269  111.300 3.6859  3.177582       5.171121 
1 1 1 19  -17 13 o 73.161  2.0703  723.579   40.553    753.493   57.823    694.622   56.890    74.657  2.8916  71.665  2.9637  2.992699       4.140663 
1 1 1 19  -17 14 o 78.733  2.1543  839.669   45.430    840.388   64.514    838.961   63.984    78.763  3.0580  78.703  3.0352  0.6024170E-01  4.308594 
1 1 1 19  -17 15 o 82.260  2.1882  918.768   48.162    873.366   68.296    963.680   67.927    80.208  3.1790  84.313  3.0079  -4.104721      4.376461 
1 1 1 19  -17 16 o 58.506  1.9539  463.643   30.615    465.719   43.669    461.637   42.934    58.631  2.7807  58.381  2.7456  0.2490845      3.907761 
1 1 1 19  -17 17 o 85.275  2.2086  989.793   50.444    984.912   71.531    994.623   71.149    85.059  3.1397  85.492  3.1071  -0.4326096     4.417181 
1 1 1 19  -17 18 o 66.960  2.0158  609.805   36.139    595.342   51.404    623.939   50.817    66.157  2.9009  67.763  2.7998  -1.606079      4.031647 
1 1 1 19  -17 19 o 33.158  1.9440  150.217   17.089    160.153   24.781    141.206   23.598    34.214  2.7267  32.102  2.7715  2.111893       3.888007 
1 1 1 19  -17 20 o 13.500  2.7471  25.960    10.515    22.873    15.373    28.675    14.415    12.849  4.0205  14.152  3.7446  -1.303325      5.494194 
1 1 1 19  -17 21 o 34.203  2.8936  161.089   26.260    161.089   26.260    0.0000    0.0000    34.203  2.8936  ?       ?       ?              ?        
1 1 1 19  -17 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -17 23 o 29.736  2.2546  123.474   17.648    121.036   25.490    125.718   24.459    29.412  3.2921  30.059  3.0814  -0.6475773     4.509171 
1 1 1 19  -17 24 o 12.509  2.9023  18.869    12.204    34.534    17.879    5.2046    16.699    15.347  4.2187  9.6713  3.9869  5.676041       5.804553 
1 1 1 19  -17 25 o 44.092  1.9937  270.266   22.833    263.640   36.261    274.619   29.391    43.472  3.1352  44.712  2.4637  -1.240120      3.987341 
1 1 1 19  -17 26 o 21.356  2.7543  73.338    13.857    48.520    23.856    85.976    17.024    17.849  4.8593  24.863  2.5945  -7.014650      5.508538 
1 1 1 19  -17 27 o 14.323  2.8164  31.410    10.949    24.893    19.572    34.379    13.210    13.286  4.5586  15.360  3.3086  -2.073812      5.632750 
1 1 1 19  -17 28 o 15.847  2.9593  33.599    12.416    55.863    21.920    23.083    15.066    19.121  4.3748  12.572  3.9863  6.548656       5.918601 
1 1 1 19  -17 29 o 11.355  2.9227  14.461    10.634    25.843    20.094    10.034    12.533    13.286  4.6156  9.4242  3.5866  3.861794       5.845335 
1 1 1 19  -17 30 o 13.833  2.9708  22.288    12.301    52.388    22.058    8.7021    14.819    18.124  4.5505  9.5418  3.8205  8.582248       5.941630 
1 1 1 19  -17 31 o 16.285  3.1030  40.729    13.055    49.211    23.588    36.983    15.675    17.158  4.8932  15.411  3.8172  1.746855       6.206000 
1 1 1 19  -17 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -17 33 o 6.3107  2.1502  -18.6235  10.767    -50.1230  21.322    -7.8431   12.474    6.1513  3.0780  6.4701  3.0032  -0.3188453     4.300387 
1 1 1 19  -17 34 f 11.527  3.1937  15.653    13.025    35.351    25.331    8.5724    15.187    13.860  5.1360  9.1945  3.7975  4.665137       6.387439 
1 1 1 19  -17 35 f 10.186  3.0023  5.4373    11.937    31.564    24.726    -2.5016   13.630    13.087  5.0241  7.2850  3.2884  5.801747       6.004588 
1 1 1 19  -17 36 o 6.2237  3.0912  -37.5648  19.876    -37.5648  19.876    0.0000    0.0000    6.2237  3.0912  ?       ?       ?              ?        
1 1 1 19  -17 37 o 6.5154  2.3183  -26.3846  12.056    -41.6565  29.701    -23.3720  13.192    7.7464  3.8355  5.2845  2.6053  2.461915       4.636656 
1 1 1 19  -17 38 o 8.5761  2.8697  -2.0077   14.810    -92.2990  52.596    5.7682    15.435    8.7123  4.4147  8.4400  3.6675  0.2723207      5.739380 
1 1 1 19  -17 39 o 14.874  3.7312  47.613    17.303    79.829    32.250    34.592    20.503    17.131  5.8521  12.617  4.6303  4.513636       7.462342 
1 1 1 19  -17 40 o 10.396  4.8478  24.078    33.100    24.078    33.100    0.0000    0.0000    10.396  4.8478  ?       ?       ?              ?        
1 1 1 19  -16 0  o 57.029  1.8597  437.575   28.397    452.028   40.254    423.257   40.066    57.970  2.5925  56.087  2.6670  1.882343       3.719381 
1 1 1 19  -16 1  o 72.931  2.0050  716.034   39.156    737.265   55.528    695.035   55.223    74.011  2.8011  71.851  2.8694  2.159729       4.009930 
1 1 1 19  -16 2  o 93.051  2.2541  1167.01   56.175    1187.10   79.572    1147.05   79.315    93.853  3.1654  92.248  3.2100  1.605148       4.508186 
1 1 1 19  -16 3  o 163.143 3.3148  3613.76   144.841   3577.24   205.187   3650.03   204.486   162.306 4.7198  163.979 4.6557  -1.673569      6.629659 
1 1 1 19  -16 4  o 81.890  2.1451  903.666   47.018    863.145   66.421    944.366   66.566    80.040  3.0982  83.741  2.9677  -3.701904      4.290266 
1 1 1 19  -16 5  o 119.870 2.6334  1941.33   84.550    1943.35   119.771   1939.33   119.373   119.931 3.7285  119.809 3.7199  0.1216965      5.266782 
1 1 1 19  -16 6  o 136.914 2.9157  2539.51   106.857   2440.81   151.382   2637.52   150.857   134.229 4.2105  139.599 4.0346  -5.369324      5.831490 
1 1 1 19  -16 7  o 148.371 3.1023  2987.02   123.255   2923.87   175.003   3049.17   173.622   146.787 4.4511  149.955 4.3227  -3.167999      6.204696 
1 1 1 19  -16 8  o 42.694  1.8887  246.270   21.486    246.276   30.665    246.264   30.114    42.691  2.6956  42.697  2.6463  -0.5725861E-02 3.777427 
1 1 1 19  -16 9  o 106.174 2.5039  1523.10   71.196    1552.12   101.687   1495.20   99.716    107.165 3.5426  105.183 3.5394  1.982681       5.007739 
1 1 1 19  -16 10 o 42.829  1.8958  248.082   21.618    245.245   31.159    250.715   30.017    42.582  2.7465  43.076  2.6140  -0.4939766     3.791618 
1 1 1 19  -16 11 o 74.855  2.1023  755.694   42.143    765.074   60.275    746.723   58.947    75.306  2.9882  74.403  2.9579  0.9031448      4.204591 
1 1 1 19  -16 12 f 44.077  1.8728  262.570   21.999    268.608   31.641    256.919   30.608    44.567  2.6628  43.587  2.6341  0.9793015      3.745518 
1 1 1 19  -16 13 o 61.975  1.9649  518.224   32.613    518.049   46.461    518.393   45.791    61.962  2.7995  61.989  2.7579  -0.2742004E-01 3.929740 
1 1 1 19  -16 14 o 49.612  1.8495  333.098   24.474    326.458   35.009    339.445   34.228    49.117  2.6712  50.108  2.5588  -0.9912758     3.699013 
1 1 1 19  -16 15 o 113.965 2.6390  1767.75   80.552    1748.72   113.977   1786.73   113.858   113.341 3.7544  114.588 3.7097  -1.247055      5.277976 
1 1 1 19  -16 16 o 49.648  1.8773  334.548   24.834    318.904   35.491    349.557   34.762    48.486  2.7441  50.810  2.5626  -2.324005      3.754544 
1 1 1 19  -16 17 o 22.458  2.1599  70.586    12.448    59.626    18.069    80.486    17.173    20.673  3.3799  24.243  2.6901  -3.569429      4.319731 
1 1 1 19  -16 18 o 19.220  2.3418  51.411    11.588    57.661    17.097    46.099    15.762    20.334  3.2484  18.107  3.3740  2.227264       4.683609 
1 1 1 19  -16 19 o 33.798  1.9567  156.611   17.489    149.315   25.464    163.126   24.061    33.010  2.9098  34.586  2.6167  -1.576427      3.913332 
1 1 1 19  -16 20 o 49.304  1.9421  331.378   25.535    342.272   36.773    321.235   35.484    50.087  2.7516  48.522  2.7415  1.564735       3.884250 
1 1 1 19  -16 21 o 37.042  1.9817  188.320   19.491    183.959   28.056    192.388   27.098    36.600  2.8853  37.485  2.7173  -0.8857079     3.963432 
1 1 1 19  -16 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -16 23 o 44.649  2.3127  263.898   24.565    305.475   48.060    249.195   28.581    46.618  3.8843  42.680  2.5112  3.937088       4.625370 
1 1 1 19  -16 24 o 16.642  2.6609  44.893    11.614    22.657    19.685    56.769    14.385    13.102  4.5674  20.182  2.7313  -7.079944      5.321730 
1 1 1 19  -16 25 o 56.248  2.0458  440.585   30.118    415.583   46.713    458.373   39.402    54.646  3.2055  57.851  2.5428  -3.205246      4.091599 
1 1 1 19  -16 26 o 57.219  2.0595  455.856   30.937    441.166   47.931    466.345   40.504    56.196  3.1976  58.243  2.5964  -2.047115      4.118974 
1 1 1 19  -16 27 o 38.287  2.1205  208.868   20.763    189.739   33.182    221.179   26.618    36.559  3.4287  40.016  2.4959  -3.456924      4.240908 
1 1 1 19  -16 28 o 8.8715  2.6122  4.4257    9.5741    3.8745    17.636    4.6560    11.400    9.5573  4.0297  8.1856  3.3249  1.371655       5.224305 
1 1 1 19  -16 29 o 24.465  2.5723  88.653    15.314    84.758    26.176    90.680    18.883    23.640  4.2919  25.291  2.8364  -1.650206      5.144505 
1 1 1 19  -16 30 o 25.763  2.5226  96.293    16.025    103.171   27.716    92.838    19.641    26.079  4.1033  25.448  2.9354  0.6313305      5.045205 
1 1 1 19  -16 31 o 10.889  2.3126  13.740    10.916    -36.8179  20.228    34.512    12.966    6.6135  3.2539  15.165  3.2871  -8.551052      4.625203 
1 1 1 19  -16 32 f 7.4210  3.5379  -19.4348  19.497    -19.4348  19.497    0.0000    0.0000    7.4210  3.5379  ?       ?       ?              ?        
1 1 1 19  -16 33 o 22.730  3.0377  82.840    16.713    88.874    29.649    80.030    20.233    22.574  5.0320  22.886  3.4043  -0.3119411     6.075401 
1 1 1 19  -16 34 o 9.4535  2.8824  6.6533    12.568    -0.0581   23.988    9.1927    14.755    9.6424  4.3566  9.2646  3.7751  0.3777971      5.764703 
1 1 1 19  -16 35 o 7.1286  2.4057  -11.4815  10.841    -12.0824  21.879    -11.2860  12.481    8.1958  3.8598  6.0614  2.8727  2.134416       4.811444 
1 1 1 19  -16 36 o 21.580  5.5351  93.898    32.149    93.898    32.149    0.0000    0.0000    21.580  5.5351  ?       ?       ?              ?        
1 1 1 19  -16 37 o 17.348  3.7947  62.506    18.289    67.704    39.126    61.053    20.689    16.138  6.2857  18.558  4.2531  -2.419708      7.589390 
1 1 1 19  -16 38 o 12.285  4.4427  28.828    18.777    0.0000    0.0000    28.828    18.777    ?       ?       12.285  4.4427  ?              ?        
1 1 1 19  -16 39 o 14.392  3.6803  48.889    17.680    54.118    34.011    46.953    20.696    13.836  5.6953  14.949  4.6629  -1.112037      7.360668 
1 1 1 19  -16 40 o 9.6844  4.5220  12.517    28.957    12.517    28.957    0.0000    0.0000    9.6844  4.5220  ?       ?       ?              ?        
1 1 1 19  -15 0  o 24.689  1.8975  83.233    12.260    93.105    17.319    73.317    17.358    26.205  2.4977  23.174  2.8571  3.030968       3.794918 
1 1 1 19  -15 1  o 108.515 2.4530  1587.05   71.295    1599.66   101.173   1574.62   100.484   108.943 3.4671  108.087 3.4709  0.8567505      4.905906 
1 1 1 19  -15 2  o 92.542  2.2353  1153.05   55.398    1179.93   78.423    1126.29   78.265    93.623  3.1273  91.461  3.1948  2.162773       4.470671 
1 1 1 19  -15 3  o 22.591  2.0250  70.182    11.669    52.896    16.175    88.946    16.852    19.572  3.1957  25.610  2.4881  -6.038050      4.050090 
1 1 1 19  -15 4  o 67.650  1.9324  615.324   35.003    593.617   49.278    637.429   49.729    66.442  2.7690  68.858  2.6963  -2.415459      3.864881 
1 1 1 19  -15 5  o 63.456  1.9126  541.730   32.461    505.960   45.748    578.000   46.067    61.337  2.7846  65.574  2.6228  -4.236790      3.825292 
1 1 1 19  -15 6  o 51.968  1.8582  363.713   25.804    351.442   36.584    375.862   36.401    51.056  2.6846  52.881  2.5700  -1.824913      3.716446 
1 1 1 19  -15 7  o 149.453 3.1657  3027.99   126.614   2905.03   179.996   3148.42   178.136   146.404 4.5901  152.502 4.3610  -6.097656      6.331445 
1 1 1 19  -15 8  o 144.169 3.0988  2817.86   119.550   2707.18   170.226   2925.59   167.935   141.329 4.4968  147.008 4.2649  -5.678497      6.197662 
1 1 1 19  -15 9  o 76.761  2.1358  793.923   43.884    784.214   62.976    803.087   61.185    76.296  3.0817  77.226  2.9580  -0.9305878     4.271555 
1 1 1 19  -15 10 o 26.629  1.9322  96.109    13.562    102.035   19.908    90.977    18.525    27.398  2.7499  25.860  2.7150  1.537750       3.864331 
1 1 1 19  -15 11 o 103.750 2.4326  1453.57   67.598    1475.34   95.978    1432.15   95.221    104.524 3.4282  102.976 3.4523  1.547607       4.865297 
1 1 1 19  -15 12 o 105.380 2.4602  1500.97   69.436    1523.18   98.465    1479.01   97.931    106.159 3.4629  104.600 3.4954  1.559563       4.920305 
1 1 1 19  -15 13 o 26.981  1.9921  98.954    14.020    118.662   20.451    81.478    19.257    29.569  2.6088  24.393  3.0113  5.176451       3.984228 
1 1 1 19  -15 14 o 18.695  2.2911  48.662    10.940    61.226    15.867    37.277    15.104    21.110  2.8814  16.279  3.5629  4.831366       4.582191 
1 1 1 19  -15 15 o 66.299  1.9872  593.572   35.279    582.933   50.142    604.003   49.647    65.703  2.8492  66.895  2.7708  -1.191765      3.974339 
1 1 1 19  -15 16 o 64.077  1.9576  554.505   33.587    575.719   47.933    534.042   47.076    65.286  2.7411  62.868  2.7956  2.418194       3.915253 
1 1 1 19  -15 17 o 75.901  2.0988  780.258   42.667    784.817   60.673    775.799   60.013    76.118  2.9759  75.684  2.9604  0.4341812      4.197613 
1 1 1 19  -15 18 o 54.885  1.9424  408.552   28.488    403.239   40.797    413.607   39.797    54.489  2.8048  55.281  2.6878  -0.7920609     3.884742 
1 1 1 19  -15 19 o 59.837  2.0073  486.316   32.148    472.562   45.886    499.575   45.054    58.987  2.9043  60.687  2.7717  -1.700207      4.014627 
1 1 1 19  -15 20 o 73.687  2.1252  739.550   41.941    752.521   59.735    726.937   58.901    74.326  3.0005  73.048  3.0104  1.278450       4.250392 
1 1 1 19  -15 21 o 21.007  2.4078  65.544    12.179    50.699    20.141    74.103    15.292    18.775  4.1183  23.239  2.4958  -4.463945      4.815548 
1 1 1 19  -15 22 o 54.560  1.9689  411.267   28.148    380.368   43.263    433.948   37.067    52.606  3.0839  56.514  2.4487  -3.907959      3.937861 
1 1 1 19  -15 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -15 24 o 52.504  1.9380  372.548   26.854    417.164   41.961    341.596   34.949    55.079  2.8541  49.930  2.6225  5.148167       3.875949 
1 1 1 19  -15 25 o 113.454 2.7080  1809.19   82.020    1782.05   120.372   1832.71   112.060   112.425 3.9974  114.484 3.6544  -2.058899      5.416053 
1 1 1 19  -15 26 o 41.609  2.0129  237.864   21.851    249.593   34.846    230.263   28.051    42.326  3.0952  40.892  2.5742  1.433899       4.025743 
1 1 1 19  -15 27 o 22.015  2.4885  69.452    13.552    70.321    22.791    68.977    16.855    21.895  4.0349  22.135  2.9137  -0.2391243     4.976920 
1 1 1 19  -15 28 o 31.509  2.2275  141.122   17.781    137.810   29.260    143.060   22.389    30.962  3.5953  32.057  2.6307  -1.095533      4.454918 
1 1 1 19  -15 29 o 18.591  2.7497  45.091    12.984    82.174    22.827    27.356    15.786    23.651  3.7269  13.532  4.0440  10.11837       5.499422 
1 1 1 19  -15 30 o 17.046  3.0409  43.895    13.271    48.876    23.188    41.469    16.183    17.512  4.8006  16.580  3.7339  0.9311352      6.081706 
1 1 1 19  -15 31 o 13.441  3.0937  28.654    12.826    19.220    23.121    32.848    15.415    12.300  4.8205  14.583  3.8789  -2.283021      6.187397 
1 1 1 19  -15 32 o 20.164  3.7494  75.691    21.877    94.464    27.846    45.421    35.360    24.304  4.4411  16.025  6.0422  8.279501       7.498794 
1 1 1 19  -15 33 o 12.702  3.3146  25.215    14.027    20.919    28.351    26.607    16.141    12.539  5.1845  12.865  4.1311  -0.3255672     6.629155 
1 1 1 19  -15 34 o 14.058  2.9804  36.196    14.337    5.3404    25.659    50.203    17.288    10.425  4.6220  17.691  3.7641  -7.265425      5.960841 
1 1 1 19  -15 35 o 14.721  2.9131  41.472    14.220    8.9697    25.109    56.817    17.253    10.546  4.6281  18.895  3.5391  -8.349072      5.826140 
1 1 1 19  -15 36 o 8.5897  4.0283  -9.6520   23.400    -9.6520   23.400    0.0000    0.0000    8.5897  4.0283  ?       ?       ?              ?        
1 1 1 19  -15 37 o 9.6808  3.0416  5.0019    13.772    16.847    27.522    1.0454    15.906    11.226  4.8877  8.1360  3.6215  3.089603       6.083180 
1 1 1 19  -15 38 o 15.160  4.5630  44.417    20.045    0.0000    0.0000    44.417    20.045    ?       ?       15.160  4.5630  ?              ?        
1 1 1 19  -15 39 o 7.1418  2.4659  -14.0333  12.590    -23.1283  27.884    -11.7047  14.109    8.0212  3.9203  6.2624  2.9922  1.758850       4.931728 
1 1 1 19  -15 40 o 12.672  5.4176  48.639    32.642    48.639    32.642    0.0000    0.0000    12.672  5.4176  ?       ?       ?              ?        
1 1 1 19  -14 0  o 125.930 2.7332  2138.04   92.190    2157.36   130.871   2119.00   129.888   126.496 3.8626  125.365 3.8682  1.130997       5.466486 
1 1 1 19  -14 1  o 29.021  1.8213  114.011   14.008    114.219   19.666    113.797   19.958    29.051  2.5533  28.991  2.5978  0.5957985E-01  3.642512 
1 1 1 19  -14 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -14 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -14 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -14 5  o 56.345  4.0403  430.483   60.571    430.483   60.571    0.0000    0.0000    56.345  4.0403  ?       ?       ?              ?        
1 1 1 19  -14 6  o 73.939  2.4577  733.671   46.524    724.705   57.861    750.071   78.252    73.413  2.9425  74.466  3.9373  -1.053009      4.915365 
1 1 1 19  -14 7  o 39.546  2.6256  212.337   27.228    215.122   41.513    210.234   36.071    39.736  3.9529  39.357  3.4567  0.3782425      5.251151 
1 1 1 19  -14 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -14 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -14 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -14 11 o 42.980  1.8149  249.138   20.774    265.877   29.762    233.234   29.010    44.399  2.5129  41.562  2.6194  2.837444       3.629874 
1 1 1 19  -14 12 o 32.618  1.8650  144.231   16.133    140.325   23.205    147.886   22.446    32.177  2.7179  33.060  2.5547  -0.8835297     3.730023 
1 1 1 19  -14 13 o 28.696  1.8547  111.832   14.079    110.000   20.336    113.518   19.511    28.457  2.7003  28.935  2.5433  -0.4780674     3.709464 
1 1 1 19  -14 14 o 71.092  2.0133  681.374   38.333    677.536   54.484    685.135   53.942    70.890  2.8694  71.294  2.8248  -0.4037399     4.026510 
1 1 1 19  -14 15 o 49.075  1.8504  325.850   24.203    313.645   34.658    337.470   33.815    48.161  2.6975  49.990  2.5338  -1.828571      3.700878 
1 1 1 19  -14 16 o 40.934  1.8386  227.296   20.009    216.977   28.810    236.910   27.810    40.013  2.7041  41.854  2.4920  -1.841225      3.677193 
1 1 1 19  -14 17 o 51.185  1.8773  354.880   25.633    336.329   36.679    372.590   35.837    49.820  2.7594  52.549  2.5461  -2.728951      3.754611 
1 1 1 19  -14 18 o 75.837  2.0486  780.557   41.368    760.899   61.494    796.807   55.910    74.914  3.0647  76.761  2.7193  -1.847221      4.097191 
1 1 1 19  -14 19 o 58.374  1.8714  459.118   29.033    477.523   44.238    445.192   38.480    59.365  2.7821  57.384  2.5036  1.981449       3.742750 
1 1 1 19  -14 20 o 80.615  2.1296  882.830   45.786    897.643   68.213    870.683   61.768    81.176  3.1373  80.054  2.8807  1.122292       4.259194 
1 1 1 19  -14 21 o 87.341  2.2634  1046.46   52.590    1003.73   78.093    1081.92   71.140    85.587  3.4066  89.094  2.9811  -3.507637      4.526746 
1 1 1 19  -14 22 o 27.376  2.1907  109.016   14.698    85.139    23.630    124.084   18.772    24.587  3.7030  30.164  2.3417  -5.577578      4.381340 
1 1 1 19  -14 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -14 24 o 28.996  2.2839  123.834   16.113    94.327    25.984    142.270   20.539    25.744  3.8896  32.248  2.3949  -6.504358      4.567746 
1 1 1 19  -14 25 o 35.024  2.0754  172.135   18.611    159.809   29.826    179.995   23.817    33.812  3.3369  36.237  2.4685  -2.424965      4.150714 
1 1 1 19  -14 26 o 9.4859  2.4629  0.1135    8.6994    24.992    16.251    -9.8800   10.300    13.245  4.1319  5.7266  2.6814  7.518434       4.925720 
1 1 1 19  -14 27 o 22.352  2.5750  73.098    14.041    67.914    23.757    75.881    17.406    21.432  4.2882  23.273  2.8519  -1.841198      5.149972 
1 1 1 19  -14 28 o 29.723  2.3204  126.874   17.382    119.356   28.332    131.412   22.012    28.737  3.7719  30.709  2.7037  -1.971708      4.640789 
1 1 1 19  -14 29 o 9.8883  2.7494  9.0599    9.9436    12.565    18.149    7.5563    11.886    10.923  4.2737  8.8532  3.4600  2.070260       5.498722 
1 1 1 19  -14 30 o 11.808  2.8686  13.363    10.950    35.971    19.950    3.6154    13.100    15.227  4.5452  8.3896  3.5009  6.837266       5.737208 
1 1 1 19  -14 31 o 8.1958  2.5815  -2.6268   10.541    0.2359    19.178    -3.8661   12.618    9.2658  4.0559  7.1259  3.1947  2.139925       5.163055 
1 1 1 19  -14 32 o 32.868  3.1969  166.986   26.876    149.904   34.235    194.425   43.390    31.020  4.2307  34.717  4.7941  -3.696646      6.393880 
1 1 1 19  -14 33 o 33.182  2.9843  161.520   26.240    0.0000    0.0000    161.520   26.240    ?       ?       33.182  2.9843  ?              ?        
1 1 1 19  -14 34 o 24.875  2.9162  96.054    17.956    115.885   31.021    86.062    22.019    26.266  4.5756  23.484  3.6167  2.782841       5.832346 
1 1 1 19  -14 35 o 13.242  3.2181  31.687    14.510    16.324    26.718    38.114    17.280    11.512  4.9112  14.972  4.1598  -3.459374      6.436158 
1 1 1 19  -14 36 o 19.605  3.5482  69.198    19.133    101.797   30.064    47.006    24.805    23.672  4.9029  15.539  5.1305  8.133451       7.096465 
1 1 1 19  -14 37 o 21.257  5.7694  94.983    33.689    94.983    33.689    0.0000    0.0000    21.257  5.7694  ?       ?       ?              ?        
1 1 1 19  -14 38 o 14.986  4.5089  42.724    19.575    0.0000    0.0000    42.724    19.575    ?       ?       14.986  4.5089  ?              ?        
1 1 1 19  -14 39 o 11.307  3.2027  24.806    15.124    11.759    29.562    29.431    17.602    10.329  4.7321  12.284  4.3169  -1.955511      6.405362 
1 1 1 19  -14 40 o 11.311  5.0623  31.334    31.540    31.334    31.540    0.0000    0.0000    11.311  5.0623  ?       ?       ?              ?        
1 1 1 19  -13 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -13 1  o 156.073 3.1490  3286.85   131.626   3351.44   186.628   3222.91   185.671   157.607 4.4209  154.539 4.4856  3.068512       6.298008 
1 1 1 19  -13 2  f 88.549  2.1528  1053.79   51.060    1057.30   72.223    1050.28   72.195    88.697  3.0401  88.401  3.0491  0.2959595      4.305658 
1 1 1 19  -13 3  o 104.543 2.3698  1470.09   66.351    1499.03   93.912    1441.25   93.757    105.574 3.3210  103.512 3.3816  2.062592       4.739670 
1 1 1 19  -13 4  o 77.898  2.0509  815.300   42.791    825.277   60.674    805.428   60.358    78.373  2.8903  77.423  2.9106  0.9499817      4.101886 
1 1 1 19  -13 5  o 70.890  1.9713  674.960   37.425    682.513   53.553    667.750   52.321    71.277  2.8051  70.504  2.7706  0.7723999      3.942694 
1 1 1 19  -13 6  o 14.168  2.1875  28.047    8.0600    27.755    11.707    28.311    11.114    14.090  3.1778  14.246  3.0069  -0.1568041     4.374913 
1 1 1 19  -13 7  o 53.434  1.9023  384.786   27.109    371.226   39.243    397.164   37.493    52.487  2.8015  54.380  2.5741  -1.893356      3.804529 
1 1 1 19  -13 8  o 143.799 3.0461  2792.82   117.302   2761.10   166.938   2823.76   164.861   142.979 4.3591  144.620 4.2560  -1.641800      6.092208 
1 1 1 19  -13 9  o 104.266 2.4615  1464.53   68.733    1449.57   97.751    1479.16   96.665    103.733 3.5182  104.799 3.4437  -1.066223      4.923055 
1 1 1 19  -13 10 o 25.186  1.8967  86.268    12.585    84.868    18.106    87.576    17.503    24.976  2.7523  25.395  2.6104  -0.4196739     3.793319 
1 1 1 19  -13 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -13 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -13 13 o 34.494  1.8152  160.829   16.644    163.753   23.942    158.095   23.154    34.796  2.5874  34.192  2.5465  0.6042824      3.630342 
1 1 1 19  -13 14 o 17.423  2.3237  42.651    10.363    57.660    14.976    28.860    14.355    20.504  2.8000  14.341  3.7093  6.163170       4.647414 
1 1 1 19  -13 15 o 39.550  1.8874  213.065   19.730    189.762   28.429    234.718   27.404    37.410  2.8587  41.689  2.4651  -4.278511      3.774818 
1 1 1 19  -13 16 o 50.135  1.7388  334.939   23.188    368.395   35.434    309.881   30.665    52.294  2.5297  47.977  2.3863  4.317001       3.477650 
1 1 1 19  -13 17 o 85.991  2.1746  1004.13   49.790    956.955   73.482    1044.18   67.701    84.063  3.2635  87.919  2.8749  -3.856461      4.349211 
1 1 1 19  -13 18 o 62.844  1.9743  541.538   32.629    485.791   49.147    585.479   43.634    59.810  3.0783  65.877  2.4729  -6.066235      3.948508 
1 1 1 19  -13 19 o 4.8833  1.5296  -1.7240   3.9048    -16.0938  9.0210    1.5891    4.3316    4.6459  2.2616  5.1206  2.0601  -0.4747324     3.059270 
1 1 1 19  -13 20 o 62.594  1.9445  527.573   32.396    561.775   49.184    501.363   43.055    64.345  2.8538  60.843  2.6419  3.501598       3.888955 
1 1 1 19  -13 21 o 82.118  2.1864  919.642   47.853    914.427   71.165    923.946   64.652    81.831  3.2468  82.404  2.9292  -0.5726929     4.372834 
1 1 1 19  -13 22 o 40.306  1.9035  219.538   20.130    235.159   31.710    208.994   26.052    41.445  2.8742  39.168  2.4963  2.277775       3.806920 
1 1 1 19  -13 23 o 104.895 3.7502  1523.72   105.365   1523.72   105.365   0.0000    0.0000    104.895 3.7502  ?       ?       ?              ?        
1 1 1 19  -13 24 o 62.550  2.5263  530.420   38.092    573.431   72.211    513.837   44.838    63.773  4.2518  61.327  2.7297  2.446281       5.052607 
1 1 1 19  -13 25 o 53.800  2.1151  409.058   29.452    341.746   44.942    459.725   38.992    49.555  3.4066  58.044  2.5080  -8.489445      4.230254 
1 1 1 19  -13 26 o 28.426  2.2045  109.495   16.108    128.660   26.523    98.296    20.275    30.276  3.3254  26.576  2.8950  3.699749       4.408992 
1 1 1 19  -13 27 o 35.808  2.0911  173.239   19.564    211.669   31.160    148.229   25.137    38.985  3.0073  32.631  2.9065  6.354336       4.182284 
1 1 1 19  -13 28 o 52.812  2.0945  386.862   29.175    402.899   45.102    375.324   38.257    53.611  3.1548  52.014  2.7558  1.596638       4.188920 
1 1 1 19  -13 29 o 40.110  2.1335  224.470   22.322    237.255   35.507    216.116   28.703    40.880  3.2701  39.340  2.7412  1.540546       4.267052 
1 1 1 19  -13 30 o 14.338  3.0208  32.398    12.568    22.591    21.866    37.236    15.359    12.917  4.7748  15.759  3.7016  -2.841817      6.041547 
1 1 1 19  -13 31 o 17.004  3.1485  46.414    14.251    41.396    24.009    49.144    17.707    16.008  5.0270  18.000  3.7923  -1.992189      6.297001 
1 1 1 19  -13 32 o 37.392  3.1065  216.076   29.632    208.344   37.604    228.739   48.127    37.128  3.8367  37.657  4.8867  -0.5287704     6.212929 
1 1 1 19  -13 33 o 22.738  3.5958  89.455    18.736    86.278    38.904    90.414    21.378    20.937  6.3693  24.538  3.3394  -3.601398      7.191622 
1 1 1 19  -13 34 o 8.5857  2.7148  0.0719    11.962    -7.0231   22.788    2.7706    14.054    8.9494  4.1202  8.2221  3.5361  0.7273436      5.429579 
1 1 1 19  -13 35 o 21.872  3.2513  82.548    17.381    82.215    30.748    82.704    21.070    20.784  5.4546  22.959  3.5400  -2.175222      6.502628 
1 1 1 19  -13 36 o 15.436  3.4605  44.095    15.472    45.290    28.377    43.589    18.457    15.019  5.4571  15.854  4.2567  -0.8351355     6.920919 
1 1 1 19  -13 37 o 9.2806  4.2895  -3.5158   25.051    -3.5158   25.051    0.0000    0.0000    9.2806  4.2895  ?       ?       ?              ?        
1 1 1 19  -13 38 o 11.946  4.3556  25.759    18.101    0.0000    0.0000    25.759    18.101    ?       ?       11.946  4.3556  ?              ?        
1 1 1 19  -13 39 o 19.545  3.6821  82.908    19.029    84.096    35.432    82.427    22.558    17.673  6.1296  21.416  4.0815  -3.743063      7.364150 
1 1 1 19  -13 40 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -12 0  o 120.555 2.6102  1955.29   84.278    1989.66   119.611   1921.41   118.766   121.610 3.6721  119.500 3.7105  2.109474       5.220375 
1 1 1 19  -12 1  o 178.131 3.5557  4285.98   169.646   4257.99   240.227   4313.83   239.605   177.544 5.0516  178.718 5.0054  -1.174271      7.111435 
1 1 1 19  -12 2  o 44.483  1.7450  266.608   20.566    225.713   28.712    309.693   29.471    40.921  2.6336  48.045  2.2901  -7.124199      3.490015 
1 1 1 19  -12 3  o 129.060 2.7533  2243.13   95.136    2171.21   134.768   2314.57   134.319   126.985 3.9623  131.135 3.8241  -4.149559      5.506676 
1 1 1 19  -12 4  o 98.036  2.2932  1291.55   60.206    1326.98   85.844    1257.25   84.461    99.360  3.2256  96.711  3.2606  2.649391       4.586464 
1 1 1 19  -12 5  o 87.263  2.2167  1023.99   51.768    1005.85   74.317    1041.09   72.154    86.504  3.2075  88.021  3.0605  -1.516609      4.433301 
1 1 1 19  -12 6  o 96.841  2.3501  1261.40   60.932    1250.17   87.262    1272.08   85.119    96.414  3.3791  97.268  3.2671  -0.8542404     4.700232 
1 1 1 19  -12 7  o 148.057 3.1341  2957.64   124.282   2981.57   176.949   2934.34   174.597   148.645 4.4443  147.469 4.4202  1.175934       6.268228 
1 1 1 19  -12 8  o 87.228  2.2585  1023.52   52.746    1006.05   75.214    1040.42   73.989    86.489  3.2467  87.966  3.1403  -1.476753      4.516904 
1 1 1 19  -12 9  f 85.913  2.2149  992.722   50.963    983.252   72.316    1002.07   71.831    85.503  3.1577  86.323  3.1067  -0.8200150     4.429703 
1 1 1 19  -12 10 f 20.358  2.0972  57.938    10.827    44.535    15.487    70.751    15.143    17.903  3.3528  22.814  2.5201  -4.910809      4.194353 
1 1 1 19  -12 11 f 114.451 2.5812  1765.88   79.129    1760.98   111.822   1770.79   111.988   114.292 3.6528  114.611 3.6480  -0.3187866     5.162419 
1 1 1 19  -12 12 o 62.102  2.6742  518.517   44.483    518.517   44.483    0.0000    0.0000    62.102  2.6742  ?       ?       ?              ?        
1 1 1 19  -12 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -12 14 f 78.740  2.0697  841.423   43.271    773.828   63.917    898.610   58.791    75.763  3.1497  81.717  2.6860  -5.953674      4.139492 
1 1 1 19  -12 15 o 66.285  1.8888  585.015   33.334    678.939   50.057    510.176   44.682    71.017  2.6315  61.552  2.7102  9.465496       3.777598 
1 1 1 19  -12 16 o 57.514  1.8708  448.207   28.454    431.179   43.066    461.398   37.905    56.476  2.8563  58.551  2.4170  -2.075592      3.741663 
1 1 1 19  -12 17 o 103.779 2.4161  1459.46   66.993    1447.12   98.026    1470.28   91.768    103.324 3.5420  104.234 3.2869  -0.9102097     4.832147 
1 1 1 19  -12 18 o 42.632  1.8344  247.195   20.474    240.178   31.850    252.137   26.727    42.065  2.8435  43.199  2.3183  -1.133926      3.668807 
1 1 1 19  -12 19 o 61.557  1.9140  508.210   31.396    552.067   47.437    474.024   41.881    63.887  2.7721  59.227  2.6400  4.660545       3.828074 
1 1 1 19  -12 20 o 92.984  2.2993  1172.29   57.145    1240.18   84.242    1114.41   77.775    95.449  3.2951  90.518  3.2079  4.930763       4.598695 
1 1 1 19  -12 21 o 35.393  1.9085  167.830   17.719    189.298   27.939    153.385   22.918    37.234  2.8225  33.553  2.5696  3.680561       3.816980 
1 1 1 19  -12 22 o 142.974 3.1026  2841.17   118.738   2945.77   171.678   2745.25   164.400   145.471 4.4060  140.477 4.3693  4.994324       6.205120 
1 1 1 19  -12 23 o 44.283  2.4652  270.425   28.048    267.199   35.387    275.876   46.000    44.109  3.0132  44.457  3.9025  -0.3473396     4.930439 
1 1 1 19  -12 24 o 22.983  3.6540  74.797    21.741    0.0000    0.0000    74.797    21.741    ?       ?       22.983  3.6540  ?              ?        
1 1 1 19  -12 25 o 10.468  2.7057  12.966    9.7725    7.5894    16.919    15.658    11.972    10.124  4.0721  10.811  3.5639  -0.6869268     5.411432 
1 1 1 19  -12 26 o 22.139  2.4422  67.137    13.737    82.930    22.282    57.456    17.446    24.172  3.5471  20.107  3.3579  4.065022       4.884344 
1 1 1 19  -12 27 f 40.917  2.1984  240.804   22.960    196.521   35.411    272.926   30.159    37.284  3.5903  44.550  2.5379  -7.266335      4.396715 
1 1 1 19  -12 28 o 6.2684  2.0854  -16.3649  8.1585    -1.7032   14.643    -22.9658  9.8248    8.1259  3.5508  4.4109  2.1878  3.715080       4.170739 
1 1 1 19  -12 29 o 12.211  2.7643  21.805    11.205    4.6063    19.151    30.755    13.816    9.9906  4.2051  14.430  3.5893  -4.439871      5.528681 
1 1 1 19  -12 30 o 27.799  2.7192  121.848   17.867    85.485    28.753    144.723   22.804    23.483  4.7347  32.115  2.6754  -8.632198      5.438342 
1 1 1 19  -12 31 o 10.595  2.8456  12.923    11.936    -4.6751   21.182    21.110    14.448    9.2047  4.1321  11.985  3.9134  -2.780268      5.691163 
1 1 1 19  -12 32 o 16.751  5.1645  47.178    25.472    47.178    25.472    0.0000    0.0000    16.751  5.1645  ?       ?       ?              ?        
1 1 1 19  -12 33 o 14.693  3.4969  30.914    14.480    51.645    29.448    24.303    16.629    16.905  5.5904  12.482  4.2026  4.423090       6.993882 
1 1 1 19  -12 34 o 11.782  3.1843  15.327    13.204    36.558    24.546    6.6826    15.663    14.435  5.0954  9.1287  3.8204  5.306412       6.368506 
1 1 1 19  -12 35 o 11.339  3.1655  17.737    13.179    21.840    24.725    16.108    15.576    12.104  4.9035  10.574  4.0046  1.530171       6.330979 
1 1 1 19  -12 36 o 17.858  3.5107  55.073    16.378    73.082    29.694    47.198    19.635    19.268  5.4885  16.448  4.3790  2.819439       7.021338 
1 1 1 19  -12 37 o 15.401  5.7010  51.004    31.193    51.004    31.193    0.0000    0.0000    15.401  5.7010  ?       ?       ?              ?        
1 1 1 19  -12 38 o 17.611  4.5334  57.533    21.511    0.0000    0.0000    57.533    21.511    ?       ?       17.611  4.5334  ?              ?        
1 1 1 19  -12 39 o 14.811  3.1699  50.744    17.141    10.145    33.228    65.467    20.010    10.518  4.8887  19.105  4.0367  -8.586732      6.339888 
1 1 1 19  -11 0  o 118.132 2.5674  1876.60   81.233    1862.60   115.148   1890.48   114.617   117.690 3.6528  118.573 3.6089  -0.8833237     5.134890 
1 1 1 19  -11 1  o 92.483  2.2214  1149.06   55.017    1124.87   77.776    1173.29   77.835    91.505  3.1733  93.460  3.1093  -1.954521      4.442704 
1 1 1 19  -11 2  o 50.059  1.7205  336.218   23.069    337.501   32.684    334.945   32.567    50.154  2.4330  49.964  2.4335  0.1903152      3.441083 
1 1 1 19  -11 3  f 29.329  1.6894  116.561   13.109    108.741   18.870    123.854   18.223    28.356  2.5105  30.302  2.2615  -1.945971      3.378889 
1 1 1 19  -11 4  f 62.779  1.9029  528.762   31.981    537.828   46.119    520.364   44.387    63.296  2.7203  62.263  2.6616  1.033005       3.805771 
1 1 1 19  -11 5  o 88.482  2.2247  1051.94   52.711    1050.60   75.350    1053.22   73.766    88.423  3.1814  88.540  3.1105  -0.1166763     4.449341 
1 1 1 19  -11 6  o 98.267  2.3776  1298.21   62.567    1297.55   89.341    1298.85   87.650    98.239  3.3953  98.295  3.3291  -0.5631256E-01 4.755127 
1 1 1 19  -11 7  o 118.064 2.6661  1875.87   84.304    1901.86   120.112   1850.64   118.355   118.869 3.7725  117.258 3.7684  1.610786       5.332166 
1 1 1 19  -11 8  o 43.655  1.8059  256.649   21.018    265.060   29.960    248.497   29.494    44.364  2.5318  42.946  2.5759  1.417278       3.611822 
1 1 1 19  -11 9  o 108.736 2.9916  1586.83   83.324    1568.41   103.401   1620.95   140.716   107.948 3.5762  109.524 4.7967  -1.575554      5.983122 
1 1 1 19  -11 10 o 28.544  1.6864  111.269   12.549    103.272   19.201    117.231   16.579    27.605  2.6286  29.483  2.1135  -1.878275      3.372867 
1 1 1 19  -11 11 o 86.291  2.0828  996.186   47.942    1132.58   70.328    877.781   65.526    91.791  2.8605  80.791  3.0281  11.00027       4.165509 
1 1 1 19  -11 12 o 78.637  2.0039  829.581   42.111    858.037   62.068    805.310   57.322    79.876  2.9011  77.397  2.7651  2.478302       4.007742 
1 1 1 19  -11 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -11 14 o 59.970  2.5037  508.167   34.883    441.652   66.236    533.696   41.035    56.927  4.3775  63.012  2.4313  -6.084896      5.007403 
1 1 1 19  -11 15 o 56.747  1.8408  432.655   27.780    438.674   41.992    427.971   37.044    57.083  2.7465  56.412  2.4517  0.6707306      3.681544 
1 1 1 19  -11 16 f 89.703  2.2376  1089.29   53.501    1050.62   78.831    1122.30   72.846    88.184  3.3375  91.223  2.9813  -3.039352      4.475158 
1 1 1 19  -11 17 o 46.417  1.8074  286.509   22.195    329.267   34.177    255.324   29.188    49.367  2.5938  43.467  2.5178  5.900108       3.614783 
1 1 1 19  -11 18 f 27.798  1.9438  107.024   13.823    97.543    21.849    113.352   17.850    26.677  3.1166  28.919  2.3240  -2.242657      3.887675 
1 1 1 19  -11 19 f 36.537  1.8445  176.225   17.632    227.398   27.429    140.188   23.017    40.973  2.5114  32.100  2.7022  8.873226       3.689075 
1 1 1 19  -11 20 o 44.771  1.8585  267.099   21.982    318.986   33.726    228.777   28.984    48.500  2.6057  41.041  2.6508  7.458591       3.717034 
1 1 1 19  -11 21 o 103.276 2.5035  1460.55   69.071    1427.07   100.696   1490.29   94.921    102.070 3.6832  104.483 3.3918  -2.413368      5.007038 
1 1 1 19  -11 22 o 48.084  1.9276  310.333   24.534    358.665   37.553    274.345   32.405    51.305  2.7426  44.862  2.7095  6.443443       3.855289 
1 1 1 19  -11 23 o 64.539  2.0723  569.348   35.609    560.861   53.113    576.277   47.993    64.031  3.0968  65.048  2.7546  -1.016777      4.144653 
1 1 1 19  -11 24 o 10.345  3.7585  12.496    13.460    0.0000    0.0000    12.496    13.460    ?       ?       10.345  3.7585  ?              ?        
1 1 1 19  -11 25 o 51.118  2.0703  363.738   27.724    329.273   42.179    389.954   36.787    48.769  3.2476  53.467  2.5687  -4.698326      4.140631 
1 1 1 19  -11 26 o 47.565  2.0652  313.444   25.832    304.018   39.516    320.478   34.136    46.811  3.1703  48.319  2.6477  -1.507298      4.130497 
1 1 1 19  -11 27 f 10.921  2.4342  14.292    10.161    -13.1737  17.056    29.405    12.652    7.5821  3.5167  14.259  3.3666  -6.677051      4.868346 
1 1 1 19  -11 28 o 22.109  2.4790  66.115    13.751    88.486    23.249    54.078    17.054    24.832  3.6006  19.387  3.4085  5.444519       4.958044 
1 1 1 19  -11 29 o 35.032  2.3289  179.979   20.502    149.823   32.505    199.902   26.420    32.134  3.8534  37.930  2.6165  -5.796547      4.657802 
1 1 1 19  -11 30 o 20.588  2.9910  72.469    15.397    39.329    25.914    90.552    19.142    15.902  5.2436  25.274  2.8791  -9.371982      5.982001 
1 1 1 19  -11 31 o 15.166  3.1161  37.315    13.640    25.826    23.259    43.337    16.839    13.430  4.9312  16.901  3.8108  -3.470647      6.232107 
1 1 1 19  -11 32 o 14.595  5.1416  34.052    24.981    34.052    24.981    0.0000    0.0000    14.595  5.1416  ?       ?       ?              ?        
1 1 1 19  -11 33 o 13.435  2.9047  30.303    13.508    1.0908    23.807    44.170    16.403    10.032  4.4497  16.837  3.7350  -6.805324      5.809492 
1 1 1 19  -11 34 o 25.381  3.2595  119.916   19.455    70.688    32.705    146.876   24.203    19.139  5.8438  31.624  2.8893  -12.48493      6.519025 
1 1 1 19  -11 35 o 23.656  3.1488  93.980    18.256    93.712    31.088    94.121    22.556    22.720  5.2184  24.592  3.5252  -1.871733      6.297521 
1 1 1 19  -11 36 o 26.765  3.0345  118.337   19.940    125.133   33.947    114.757   24.639    26.451  4.9741  27.079  3.4773  -0.6282101     6.069032 
1 1 1 19  -11 37 o 18.298  5.8655  72.131    32.549    72.131    32.549    0.0000    0.0000    18.298  5.8655  ?       ?       ?              ?        
1 1 1 19  -11 38 o 30.415  3.3951  148.226   27.186    0.0000    0.0000    148.226   27.186    ?       ?       30.415  3.3951  ?              ?        
1 1 1 19  -11 39 o 13.731  3.2764  41.662    16.107    19.777    29.733    50.751    19.162    11.071  4.9378  16.392  4.3078  -5.321745      6.552828 
1 1 1 19  -10 0  o 133.647 2.8044  2403.32   100.368   2350.45   142.183   2455.83   141.701   132.174 4.0162  135.119 3.9153  -2.945679      5.608862 
1 1 1 19  -10 1  o 29.413  1.6430  117.115   12.766    131.169   18.101    103.208   18.006    31.199  2.1798  27.628  2.4589  3.570911       3.286016 
1 1 1 19  -10 2  o 65.803  1.9154  581.298   33.731    576.904   48.601    585.382   46.853    65.560  2.7677  66.046  2.6485  -0.4861603     3.830750 
1 1 1 19  -10 3  o 164.303 3.3892  3640.24   149.138   3608.74   211.870   3671.18   209.969   163.588 4.8353  165.017 4.7505  -1.428986      6.778469 
1 1 1 19  -10 4  o 73.736  2.0400  729.807   40.286    739.825   57.553    720.184   56.409    74.231  2.8946  73.241  2.8755  0.9907990      4.080095 
1 1 1 19  -10 5  o 89.697  2.2707  1080.78   54.546    1106.51   77.577    1055.63   76.710    90.754  3.1914  88.639  3.2310  2.114632       4.541403 
1 1 1 19  -10 6  o 63.186  1.8440  531.804   31.090    588.596   46.413    485.583   41.871    66.223  2.6167  60.150  2.5989  6.072575       3.687990 
1 1 1 19  -10 7  o 53.753  1.9866  405.519   27.260    296.857   40.821    492.975   36.622    46.885  3.2711  60.620  2.2554  -13.73536      3.973294 
1 1 1 19  -10 8  o 101.593 2.4039  1391.81   65.184    1328.06   94.869    1448.82   89.715    99.363  3.5646  103.824 3.2261  -4.460304      4.807710 
1 1 1 19  -10 9  o 62.328  1.8225  517.675   30.271    597.326   44.818    450.854   41.050    66.708  2.5083  57.947  2.6448  8.760468       3.645076 
1 1 1 19  -10 10 o 78.675  2.0406  837.003   42.709    769.188   62.465    896.536   58.526    75.645  3.0829  81.705  2.6743  -6.059669      4.081243 
1 1 1 19  -10 11 f 53.446  1.7231  382.896   24.539    389.438   36.762    377.639   32.956    53.851  2.5487  53.042  2.3197  0.8095360      3.446266 
1 1 1 19  -10 12 o 114.843 2.5103  1772.81   77.134    1882.08   112.000   1674.23   106.384   118.204 3.5375  111.481 3.5627  6.722404       5.020653 
1 1 1 19  -10 13 o 69.599  1.9112  645.620   35.475    727.382   52.984    579.186   47.760    73.560  2.6891  65.637  2.7166  7.922356       3.822467 
1 1 1 19  -10 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -10 15 o 70.696  1.9782  670.328   37.322    700.366   55.643    645.762   50.321    72.119  2.8805  69.272  2.7121  2.847092       3.956354 
1 1 1 19  -10 16 o 66.716  1.9605  597.096   34.901    626.289   52.123    573.369   46.989    68.177  2.8543  65.255  2.6884  2.921585       3.921066 
1 1 1 19  -10 17 o 34.014  1.9544  162.926   16.902    128.606   25.960    188.178   22.269    30.690  3.2053  37.338  2.2370  -6.647669      3.908747 
1 1 1 19  -10 18 o 21.306  2.0764  62.102    11.338    64.279    17.855    60.631    14.676    21.574  3.1857  21.039  2.6640  0.5350266      4.152835 
1 1 1 19  -10 19 o 82.964  2.2440  940.381   49.435    847.938   72.343    1021.36   67.711    79.030  3.4175  86.898  2.9091  -7.868378      4.488040 
1 1 1 19  -10 20 o 52.821  2.0043  386.294   27.652    323.106   41.187    438.145   37.310    48.680  3.1762  56.962  2.4454  -8.282421      4.008551 
1 1 1 19  -10 21 o 55.288  2.0068  419.799   29.260    380.071   43.661    452.189   39.423    52.774  3.1024  57.803  2.5463  -5.029430      4.013588 
1 1 1 19  -10 22 o 52.447  1.9680  372.686   27.398    394.299   41.358    355.782   36.575    53.765  2.8824  51.128  2.6801  2.637222       3.935909 
1 1 1 19  -10 23 o 48.580  2.5310  330.438   31.209    341.023   39.195    312.103   51.587    49.910  2.9450  47.250  4.1172  2.659645       5.062080 
1 1 1 19  -10 24 o 20.219  2.7893  56.459    13.266    63.378    25.361    53.852    15.565    20.829  4.6620  19.610  3.0636  1.219515       5.578568 
1 1 1 19  -10 25 f 10.400  2.3194  12.336    9.2281    -12.0830  15.223    26.522    11.603    7.1855  3.3291  13.615  3.2303  -6.429925      4.638730 
1 1 1 19  -10 26 o 52.990  2.0663  384.767   28.981    404.771   44.280    369.777   38.331    54.115  3.0676  51.866  2.7692  2.249027       4.132605 
1 1 1 19  -10 27 o 25.110  2.5394  94.402    15.477    72.659    24.796    108.281   19.811    22.254  4.3156  27.965  2.6776  -5.710619      5.078751 
1 1 1 19  -10 28 o 45.733  2.1619  295.071   25.670    275.628   40.165    308.498   33.377    44.211  3.4183  47.256  2.6476  -3.045204      4.323766 
1 1 1 19  -10 29 o 35.209  2.2051  173.145   20.145    183.459   32.266    166.556   25.789    35.902  3.3957  34.516  2.8139  1.385136       4.410124 
1 1 1 19  -10 30 o 23.177  2.8817  87.680    15.847    57.824    26.300    104.697   19.856    19.092  5.0611  27.261  2.7572  -8.168909      5.763371 
1 1 1 19  -10 31 f 14.679  2.9626  35.802    13.172    14.668    23.155    45.913    16.017    11.809  4.7588  17.548  3.5300  -5.738733      5.925138 
1 1 1 19  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -10 33 o 16.973  3.1733  50.304    14.722    35.925    26.020    57.075    17.854    14.637  5.2376  19.309  3.5841  -4.672022      6.346510 
1 1 1 19  -10 34 o 32.167  2.6740  160.400   21.382    161.030   35.990    160.056   26.583    31.465  4.3900  32.870  3.0543  -1.405012      5.347936 
1 1 1 19  -10 35 o 10.192  2.9168  12.537    12.390    -4.1286   25.049    17.934    14.256    9.5140  4.3578  10.870  3.8781  -1.355691      5.833523 
1 1 1 19  -10 36 o 15.053  3.4748  35.414    14.695    60.758    28.663    26.378    17.115    17.575  5.4883  12.530  4.2633  5.044226       6.949625 
1 1 1 19  -10 37 o 14.768  5.6041  45.201    30.541    45.201    30.541    0.0000    0.0000    14.768  5.6041  ?       ?       ?              ?        
1 1 1 19  -10 38 o 28.397  3.4245  129.595   25.522    0.0000    0.0000    129.595   25.522    ?       ?       28.397  3.4245  ?              ?        
1 1 1 19  -10 39 o 12.554  3.6699  20.425    23.456    -24.5031  31.758    74.352    34.794    8.5259  4.1705  16.582  6.0399  -8.055867      7.339808 
1 1 1 19  -9  0  o 177.117 3.5217  4229.28   167.065   4279.97   237.082   4179.28   235.457   178.174 4.9678  176.059 4.9930  2.114197       7.043406 
1 1 1 19  -9  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -9  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -9  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -9  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -9  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -9  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -9  7  o 195.641 3.8467  5170.67   201.438   5447.15   288.381   4907.23   281.497   200.770 5.3626  190.511 5.5165  10.25946       7.693493 
1 1 1 19  -9  8  o 114.351 2.5691  1760.33   78.579    1726.44   113.511   1791.51   108.889   113.279 3.7411  115.424 3.5221  -2.145317      5.138185 
1 1 1 19  -9  9  o 108.756 2.4236  1587.78   70.532    1684.62   102.019   1499.10   97.621    111.931 3.4028  105.582 3.4519  6.348946       4.847186 
1 1 1 19  -9  10 o 122.408 2.6262  2017.12   86.038    2012.11   124.077   2021.76   119.409   122.248 3.7893  122.567 3.6373  -0.3185043     5.252469 
1 1 1 19  -9  11 o 41.375  1.7210  233.753   18.645    208.900   28.314    252.779   24.774    39.345  2.7031  43.406  2.1309  -4.060493      3.442058 
1 1 1 19  -9  12 o 55.479  1.7737  410.243   26.247    448.296   39.377    379.819   35.209    57.774  2.5446  53.183  2.4716  4.591007       3.547391 
1 1 1 19  -9  13 o 75.777  2.0608  778.589   41.439    711.746   61.222    835.107   56.296    72.724  3.1430  78.829  2.6663  -6.104095      4.121556 
1 1 1 19  -9  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -9  15 o 75.646  2.0530  766.969   41.503    828.499   61.171    714.486   56.495    78.444  2.9114  72.849  2.8953  5.595055       4.105999 
1 1 1 19  -9  16 o 123.862 2.7397  2076.63   90.827    2083.57   131.051   2070.21   125.995   124.037 3.9446  123.687 3.8031  0.3499756      5.479361 
1 1 1 19  -9  17 o 51.129  1.9046  354.039   25.841    340.770   38.448    364.973   34.900    50.190  2.8719  52.068  2.5024  -1.877544      3.809190 
1 1 1 19  -9  18 o 60.275  1.9570  489.950   31.489    492.994   46.541    487.380   42.764    60.430  2.8753  60.120  2.6557  0.3098679      3.914084 
1 1 1 19  -9  19 o 53.242  1.9240  382.450   27.281    393.593   40.621    373.295   36.821    53.895  2.8238  52.590  2.6140  1.304333       3.847970 
1 1 1 19  -9  20 o 49.465  1.9485  334.658   25.439    307.288   37.983    356.923   34.258    47.521  2.9995  51.410  2.4879  -3.888615      3.896979 
1 1 1 19  -9  21 o 22.999  2.1967  74.715    12.767    65.421    19.810    81.318    16.697    21.621  3.5435  24.377  2.5972  -2.755459      4.393400 
1 1 1 19  -9  22 o 38.884  1.9498  206.074   19.991    208.293   30.439    204.391   26.509    39.021  2.9338  38.747  2.5689  0.2740173      3.899547 
1 1 1 19  -9  23 o 20.585  5.5386  62.563    31.208    62.563    31.208    0.0000    0.0000    20.585  5.5386  ?       ?       ?              ?        
1 1 1 19  -9  24 o 37.606  2.0085  192.679   19.875    204.027   30.708    184.498   26.073    38.504  3.0013  36.708  2.6701  1.795635       4.017073 
1 1 1 19  -9  25 o 12.508  2.7176  22.460    10.053    15.380    16.965    26.291    12.479    11.476  4.2118  13.540  3.4355  -2.064419      5.435214 
1 1 1 19  -9  26 o 24.155  2.4715  85.429    14.702    71.179    23.594    94.474    18.797    22.178  4.1237  26.133  2.7256  -3.955347      4.943035 
1 1 1 19  -9  27 o 32.982  2.1640  151.292   18.471    153.090   29.382    150.118   23.752    33.010  3.3704  32.955  2.7150  0.5488205E-01  4.327940 
1 1 1 19  -9  28 o 28.521  2.4671  120.608   17.237    97.612    27.826    134.927   21.957    25.848  4.1604  31.195  2.6530  -5.347828      4.934286 
1 1 1 19  -9  29 o 38.285  2.2941  211.742   22.387    187.915   35.550    227.402   28.820    36.127  3.7273  40.442  2.6756  -4.315041      4.588240 
1 1 1 19  -9  30 o 35.364  2.2877  174.644   20.932    196.824   34.130    161.270   26.502    36.960  3.4889  33.768  2.9599  3.191837       4.575307 
1 1 1 19  -9  31 o 10.333  2.8272  11.130    11.942    -6.5950   20.993    19.610    14.521    8.9926  4.0682  11.674  3.9271  -2.680869      5.654396 
1 1 1 19  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -9  33 o 18.546  3.1970  51.572    14.869    73.445    26.973    42.023    17.822    20.892  4.9042  16.200  4.1028  4.692244       6.394033 
1 1 1 19  -9  34 o 8.5726  2.6955  -0.6699   11.230    4.5894    21.108    -2.7460   13.262    9.8276  4.2797  7.3176  3.2784  2.509973       5.391062 
1 1 1 19  -9  35 o 11.082  3.1197  16.228    13.035    18.224    24.063    15.398    15.507    11.680  4.7970  10.484  3.9897  1.195376       6.239317 
1 1 1 19  -9  36 o 10.525  3.0871  13.194    13.372    10.081    25.872    14.329    15.620    10.822  4.7246  10.228  3.9748  0.5940800      6.174258 
1 1 1 19  -9  37 o 10.978  4.8853  10.644    28.920    10.644    28.920    0.0000    0.0000    10.978  4.8853  ?       ?       ?              ?        
1 1 1 19  -9  38 o 12.416  4.3085  27.912    17.507    0.0000    0.0000    27.912    17.507    ?       ?       12.416  4.3085  ?              ?        
1 1 1 19  -9  39 o 14.055  6.6042  82.241    63.413    82.241    63.413    0.0000    0.0000    14.055  6.6042  ?       ?       ?              ?        
1 1 1 19  -8  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  8  o 59.419  1.8017  471.770   28.612    512.474   42.041    436.648   39.052    61.797  2.5399  57.041  2.5560  4.755337       3.603405 
1 1 1 19  -8  9  o 124.614 2.6449  2087.76   88.243    2145.50   127.050   2033.95   122.655   126.274 3.7564  122.953 3.7244  3.321327       5.289785 
1 1 1 19  -8  10 o 72.077  1.9239  699.545   36.969    674.577   54.414    720.950   50.382    70.868  2.8666  73.285  2.5667  -2.416557      3.847772 
1 1 1 19  -8  11 o 171.090 3.4151  3953.53   156.462   4058.59   224.088   3853.59   218.558   173.307 4.8274  168.872 4.8319  4.434998       6.830165 
1 1 1 19  -8  12 o 52.902  1.7886  372.799   25.185    417.249   37.824    337.394   33.757    55.742  2.5334  50.062  2.5256  5.679840       3.577274 
1 1 1 19  -8  13 o 50.188  1.8231  339.806   24.289    330.593   36.237    347.321   32.729    49.520  2.7427  50.856  2.4027  -1.335423      3.646286 
1 1 1 19  -8  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  15 o 48.620  1.8607  319.617   24.017    306.913   35.605    330.224   32.534    47.676  2.8005  49.565  2.4506  -1.889297      3.721313 
1 1 1 19  -8  16 o 44.742  1.8874  271.177   22.374    262.683   33.247    278.207   30.249    44.074  2.8313  45.410  2.4965  -1.336189      3.774745 
1 1 1 19  -8  17 o 22.038  2.0778  66.403    11.828    68.163    18.195    65.115    15.566    22.257  3.1392  21.818  2.7229  0.4391594      4.155504 
1 1 1 19  -8  18 o 12.001  2.3689  17.822    8.0471    30.247    13.174    10.427    10.164    14.658  3.4184  9.3450  3.2805  5.312700       4.737857 
1 1 1 19  -8  19 o 18.505  2.3889  52.030    10.878    31.363    16.942    66.526    14.189    14.928  4.1080  22.082  2.4397  -7.153612      4.777849 
1 1 1 19  -8  20 o 37.510  1.9388  192.579   19.081    182.715   29.008    200.101   25.333    36.601  2.9850  38.419  2.4750  -1.817593      3.877560 
1 1 1 19  -8  21 o 19.597  2.2981  51.100    11.370    72.227    18.253    37.702    14.535    22.861  3.0575  16.332  3.4318  6.528883       4.596227 
1 1 1 19  -8  22 o 33.968  1.9878  158.079   17.656    156.146   27.286    159.471   23.158    33.725  3.0537  34.212  2.5455  -0.4867516     3.975502 
1 1 1 19  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -8  24 o 35.014  2.0183  164.126   18.494    195.452   29.335    143.462   23.825    37.709  2.9273  32.318  2.7794  5.391338       4.036556 
1 1 1 19  -8  25 o 33.047  2.2180  156.100   18.522    131.054   29.216    172.931   23.950    30.549  3.6423  35.544  2.5322  -4.994061      4.435991 
1 1 1 19  -8  26 o 15.039  2.7336  35.458    11.571    17.311    19.366    45.534    14.431    12.138  4.4922  17.939  3.1163  -5.800854      5.467298 
1 1 1 19  -8  27 o 19.735  2.5944  52.316    12.874    76.742    21.471    38.604    16.087    23.194  3.5707  16.277  3.7648  6.916710       5.188818 
1 1 1 19  -8  28 o 30.643  2.3286  134.820   18.030    123.239   29.016    142.104   23.012    29.292  3.7870  31.994  2.7108  -2.702070      4.657180 
1 1 1 19  -8  29 o 14.034  3.0389  27.257    11.943    36.430    20.865    22.787    14.566    15.519  4.6519  12.548  3.9115  2.971579       6.077765 
1 1 1 19  -8  30 o 21.681  2.8984  72.783    15.262    63.384    26.148    77.640    18.797    20.075  4.9047  23.286  3.0900  -3.210629      5.796890 
1 1 1 19  -8  31 o 24.621  2.7561  89.104    16.874    97.558    28.507    84.545    20.936    25.176  4.3868  24.065  3.3378  1.111237       5.512287 
1 1 1 19  -8  32 o 7.1683  2.4256  -13.0088  10.498    -19.0625  23.178    -11.4462  11.776    8.3569  3.9468  5.9798  2.8208  2.377120       4.851236 
1 1 1 19  -8  33 o 33.579  2.8672  184.012   22.707    142.768   37.731    207.432   28.432    29.268  4.9921  37.891  2.8217  -8.622343      5.734370 
1 1 1 19  -8  34 o 33.832  2.6284  173.350   22.427    189.200   37.898    164.808   27.822    34.399  4.2004  33.264  3.1606  1.135632       5.256710 
1 1 1 19  -8  35 o 19.420  3.3432  69.060    16.968    54.560    29.705    76.082    20.672    16.795  5.6171  22.045  3.6271  -5.250303      6.686370 
1 1 1 19  -8  36 o 15.768  3.5717  41.804    15.945    60.848    29.352    33.831    18.991    17.577  5.5632  13.958  4.4810  3.619491       7.143455 
1 1 1 19  -8  37 o 24.242  5.7513  118.017   36.781    118.017   36.781    0.0000    0.0000    24.242  5.7513  ?       ?       ?              ?        
1 1 1 19  -8  38 o 8.4840  3.7142  4.1382    16.087    0.0000    0.0000    4.1382    16.087    ?       ?       8.4840  3.7142  ?              ?        
1 1 1 19  -7  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  8  o 68.674  1.8489  630.737   33.950    677.009   49.719    590.314   46.470    71.025  2.6135  66.322  2.6159  4.703476       3.697755 
1 1 1 19  -7  9  o 101.546 2.3023  1385.28   62.554    1395.07   90.699    1376.40   86.388    101.881 3.3237  101.211 3.1866  0.6696625      4.604526 
1 1 1 19  -7  10 o 79.693  2.0563  857.428   43.637    800.477   63.886    907.235   59.745    77.184  3.0902  82.201  2.7136  -5.016899      4.112514 
1 1 1 19  -7  11 o 92.477  2.2311  1148.62   55.205    1169.78   80.235    1129.59   76.075    93.279  3.2114  91.675  3.0981  1.604073       4.462225 
1 1 1 19  -7  12 o 59.739  1.8644  476.485   29.686    548.491   43.703    414.804   40.449    63.910  2.5530  55.569  2.7176  8.341663       3.728734 
1 1 1 19  -7  13 o 135.394 2.9043  2474.48   105.288   2469.01   150.840   2479.68   147.032   135.234 4.1643  135.555 4.0496  -0.3213348     5.808654 
1 1 1 19  -7  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  15 o 131.597 2.8783  2343.63   101.385   2310.27   145.438   2375.16   141.407   130.658 4.1558  132.536 3.9833  -1.878128      5.756516 
1 1 1 19  -7  16 o 97.970  2.3961  1296.79   62.775    1275.56   90.969    1316.08   86.738    97.179  3.4949  98.761  3.2790  -1.581741      4.792241 
1 1 1 19  -7  17 o 41.714  1.9031  237.112   20.921    221.304   31.314    249.856   28.117    40.408  2.9127  43.019  2.4503  -2.610939      3.806300 
1 1 1 19  -7  18 o 45.553  1.9462  285.040   23.241    250.712   34.748    312.826   31.262    42.973  3.0385  48.134  2.4327  -5.160801      3.892330 
1 1 1 19  -7  19 f 41.902  1.9088  237.263   21.168    244.632   32.022    231.543   28.211    42.455  2.8322  41.349  2.5598  1.105404       3.817611 
1 1 1 19  -7  20 o 27.026  2.0890  102.042   14.421    90.502    22.416    110.191   18.837    25.595  3.3502  28.458  2.4965  -2.863638      4.178064 
1 1 1 19  -7  21 o 24.387  2.3158  87.727    13.663    62.132    21.400    105.337   17.751    20.957  3.9575  27.816  2.4062  -6.859146      4.631568 
1 1 1 19  -7  22 o 50.342  1.9853  343.522   26.477    360.748   40.265    330.400   35.143    51.410  2.9363  49.274  2.6728  2.136539       3.970587 
1 1 1 19  -7  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  24 o 19.328  2.4690  50.412    12.063    67.535    19.661    40.075    15.276    21.898  3.4676  16.757  3.5157  5.140709       4.938030 
1 1 1 19  -7  25 o 19.968  2.5880  57.100    12.904    55.719    21.129    57.922    16.297    19.612  4.1517  20.324  3.0910  -0.7127399     5.175956 
1 1 1 19  -7  26 o 33.411  2.1366  151.564   18.624    173.309   29.650    137.395   23.934    35.306  3.1691  31.516  2.8666  3.790070       4.273260 
1 1 1 19  -7  27 o 52.938  2.1357  385.605   29.778    406.734   46.378    370.784   38.842    54.045  3.2184  51.831  2.8083  2.213390       4.271382 
1 1 1 19  -7  28 o 25.877  2.4289  92.112    15.988    110.102   26.526    81.848    20.037    27.716  3.6629  24.038  3.1907  3.677485       4.857739 
1 1 1 19  -7  29 o 15.908  2.8300  32.617    12.223    60.959    21.002    18.100    15.031    20.265  4.0113  11.551  3.9931  8.714478       5.659984 
1 1 1 19  -7  30 f 15.747  3.1548  38.190    13.436    36.686    23.628    38.909    16.334    15.413  5.0033  16.081  3.8443  -0.6686707     6.309642 
1 1 1 19  -7  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -7  32 o 31.842  2.5618  145.354   20.795    177.333   35.030    127.951   25.841    34.208  3.8924  29.475  3.3317  4.733332       5.123580 
1 1 1 19  -7  33 o 27.440  2.8148  114.041   19.319    128.887   32.634    106.032   23.971    28.339  4.4456  26.540  3.4538  1.798786       5.629585 
1 1 1 19  -7  34 o 11.161  3.0296  17.396    13.051    4.5256    23.501    23.135    15.693    10.203  4.4773  12.120  4.0825  -1.917347      6.059189 
1 1 1 19  -7  35 o 12.033  3.3061  18.550    13.798    33.805    26.830    13.065    16.088    13.906  5.2584  10.161  4.0088  3.744863       6.612225 
1 1 1 19  -7  36 o 19.001  3.8713  68.894    20.462    74.342    32.705    65.390    26.231    19.149  5.8431  18.852  5.0801  0.2970219      7.742625 
1 1 1 19  -7  37 o 10.520  3.0284  13.104    15.168    -19.5388  28.608    25.869    17.890    8.7936  4.2174  12.246  4.3471  -3.452143      6.056714 
1 1 1 19  -7  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -6  8  o 193.704 3.7820  5068.07   196.187   5073.24   280.112   5063.09   274.864   193.786 5.3966  193.622 5.3000  0.1642456      7.563915 
1 1 1 19  -6  9  o 105.472 2.4002  1495.95   67.724    1480.95   97.974    1509.67   93.720    104.955 3.4851  105.989 3.3013  -1.033653      4.800463 
1 1 1 19  -6  10 o 101.334 2.3852  1385.00   64.529    1295.80   92.962    1467.94   89.644    98.156  3.5359  104.512 3.2023  -6.356422      4.770469 
1 1 1 19  -6  11 o 81.739  2.1358  900.427   46.617    850.188   67.328    946.691   64.609    79.529  3.1607  83.948  2.8734  -4.419205      4.271542 
1 1 1 19  -6  12 o 56.287  1.9231  431.863   28.527    366.557   41.505    490.340   39.275    52.137  2.9845  60.436  2.4262  -8.298794      3.846270 
1 1 1 19  -6  13 o 34.610  2.3120  164.010   20.045    167.134   24.844    158.185   33.931    35.170  2.6569  34.049  3.7845  1.120625       4.624012 
1 1 1 19  -6  14 o 158.292 3.2742  3391.76   138.711   3586.96   198.683   3206.15   193.743   162.761 4.5574  153.824 4.7023  8.936371       6.548450 
1 1 1 19  -6  15 o 113.432 2.5787  1733.66   78.223    1876.60   113.196   1603.01   108.218   117.914 3.5841  108.950 3.7084  8.963768       5.157318 
1 1 1 19  -6  16 o 30.623  2.0760  132.469   16.078    101.743   24.358    156.192   21.402    27.244  3.4129  34.003  2.3647  -6.758860      4.152024 
1 1 1 19  -6  17 f 97.921  2.4145  1296.25   63.234    1300.77   92.036    1292.21   87.026    98.058  3.5041  97.784  3.3227  0.2738266      4.829009 
1 1 1 19  -6  18 o 9.2009  2.3116  8.2807    7.1434    15.528    11.741    4.0213    9.0010    10.874  3.5267  7.5279  2.9895  3.345984       4.623251 
1 1 1 19  -6  19 o 60.403  2.0756  500.093   33.054    445.608   49.112    545.210   44.690    57.254  3.2155  63.552  2.6254  -6.297523      4.151168 
1 1 1 19  -6  20 f 44.805  1.9747  274.305   23.294    261.777   35.313    283.955   30.993    43.836  3.0261  45.775  2.5377  -1.939732      3.949390 
1 1 1 19  -6  21 o 54.203  2.0684  404.384   29.484    365.677   44.376    434.975   39.450    51.726  3.2189  56.681  2.5985  -4.954884      4.136842 
1 1 1 19  -6  22 o 27.790  3.3121  106.953   24.168    106.953   24.168    0.0000    0.0000    27.790  3.3121  ?       ?       ?              ?        
1 1 1 19  -6  23 o 31.377  2.0792  134.946   16.994    137.988   26.589    132.845   22.096    31.607  3.1842  31.147  2.6744  0.4598904      4.158309 
1 1 1 19  -6  24 o 17.963  2.5801  54.666    12.221    15.979    19.899    78.098    15.486    12.072  4.5366  23.854  2.4590  -11.78223      5.160155 
1 1 1 19  -6  25 f 24.902  2.3564  87.896    14.743    82.769    23.802    91.088    18.780    24.131  3.8090  25.673  2.7752  -1.541613      4.712778 
1 1 1 19  -6  26 o 25.790  2.3443  92.757    15.330    96.246    25.061    90.671    19.379    26.036  3.6975  25.543  2.8830  0.4931870      4.688575 
1 1 1 19  -6  27 o 24.996  2.6466  94.691    15.839    72.492    26.049    107.715   19.952    22.117  4.5490  27.875  2.7064  -5.757710      5.293237 
1 1 1 19  -6  28 o 6.7274  2.1822  -12.8830  7.9978    2.8545    15.238    -18.8661  9.3959    8.9190  3.7524  4.5358  2.2289  4.383112       4.364421 
1 1 1 19  -6  29 o 24.041  2.7860  87.333    16.267    77.015    27.299    93.013    20.255    22.453  4.6905  25.629  3.0078  -3.176838      5.572032 
1 1 1 19  -6  30 o 17.187  3.1693  47.129    14.517    39.212    24.756    51.279    17.922    15.828  5.1197  18.546  3.7372  -2.717349      6.338567 
1 1 1 19  -6  31 o 22.516  4.4016  78.841    25.594    0.0000    0.0000    78.841    25.594    ?       ?       22.516  4.4016  ?              ?        
1 1 1 19  -6  32 o 27.829  2.8047  118.885   19.078    116.599   32.467    120.090   23.577    26.976  4.6620  28.681  3.1193  -1.705065      5.609303 
1 1 1 19  -6  33 o 17.454  3.1817  42.177    14.622    80.591    26.867    26.012    17.428    22.076  4.6886  12.833  4.3025  9.242640       6.363497 
1 1 1 19  -6  34 o 22.964  3.1957  81.425    17.751    105.278   32.527    71.307    21.184    24.658  5.0935  21.269  3.8607  3.388718       6.391301 
1 1 1 19  -6  35 o 6.9420  2.3518  -12.3909  10.701    -30.0499  23.545    -7.7932   12.014    7.5439  3.6681  6.3401  2.9444  1.203767       4.703693 
1 1 1 19  -6  36 o 16.093  5.8540  53.485    32.670    53.485    32.670    0.0000    0.0000    16.093  5.8540  ?       ?       ?              ?        
1 1 1 19  -6  37 o 13.261  3.3484  34.708    16.429    1.9183    37.992    42.250    18.221    11.049  5.1661  15.473  4.2611  -4.423560      6.696714 
1 1 1 19  -6  38 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  7  o 208.262 8.1597  5917.81   455.166   5917.81   455.166   0.0000    0.0000    208.262 8.1597  ?       ?       ?              ?        
1 1 1 19  -5  8  o 68.356  2.0660  645.689   36.627    490.901   53.498    782.262   50.252    60.354  3.3221  76.359  2.4570  -16.00454      4.131985 
1 1 1 19  -5  9  o 73.036  1.9892  714.501   38.859    769.305   56.390    664.940   53.624    75.699  2.7811  70.374  2.8449  5.325737       3.978430 
1 1 1 19  -5  10 o 131.639 2.8446  2335.29   100.216   2269.32   143.248   2398.54   140.253   129.799 4.1203  133.479 3.9229  -3.679993      5.689119 
1 1 1 19  -5  11 o 50.225  1.8365  340.296   24.535    325.636   36.000    353.011   33.528    49.165  2.7447  51.284  2.4408  -2.118896      3.672971 
1 1 1 19  -5  12 o 75.619  2.0651  765.625   41.539    899.416   60.708    647.844   56.960    81.821  2.7701  69.417  3.0635  12.40383       4.130167 
1 1 1 19  -5  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  14 o 75.361  2.0869  760.348   41.962    861.024   61.580    673.076   57.334    80.004  2.8737  70.718  3.0268  9.285904       4.173709 
1 1 1 19  -5  15 o 34.269  1.9351  157.945   17.498    167.856   26.607    150.391   23.228    35.201  2.8463  33.338  2.6225  1.863640       3.870252 
1 1 1 19  -5  16 o 69.920  2.0902  658.387   39.028    664.768   57.581    652.965   53.082    70.217  3.0616  69.623  2.8465  0.5944595      4.180374 
1 1 1 19  -5  17 o 19.184  2.2213  50.336    10.858    54.514    17.131    47.531    14.039    19.817  3.3465  18.552  2.9218  1.265289       4.442588 
1 1 1 19  -5  18 o 82.773  2.2539  928.079   49.793    912.353   73.224    941.606   67.910    82.082  3.3306  83.465  3.0377  -1.382813      4.507792 
1 1 1 19  -5  19 o 40.101  2.0277  223.786   21.024    189.538   32.069    249.599   27.842    37.250  3.2467  42.952  2.4300  -5.702610      4.055387 
1 1 1 19  -5  20 f 48.820  1.9755  322.170   25.535    336.352   38.860    311.393   33.876    49.729  2.9304  47.910  2.6501  1.819012       3.950953 
1 1 1 19  -5  21 o 59.984  2.0798  490.081   33.057    484.595   49.984    494.346   44.070    59.586  3.1430  60.383  2.7248  -0.7972031     4.159694 
1 1 1 19  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -5  23 o 39.638  2.0459  214.303   21.207    220.909   33.364    209.824   27.471    40.073  3.1333  39.203  2.6315  0.8701820      4.091735 
1 1 1 19  -5  24 o 34.312  2.1153  162.232   18.798    162.275   29.895    162.203   24.176    34.211  3.3035  34.413  2.6430  -0.2027168     4.230672 
1 1 1 19  -5  25 o 49.568  2.1071  337.297   27.464    344.043   42.641    332.515   35.903    49.885  3.2083  49.251  2.7323  0.6339836      4.214137 
1 1 1 19  -5  26 o 45.390  2.0942  279.178   24.968    317.728   39.515    253.559   32.214    47.893  3.0970  42.888  2.8200  5.004639       4.188482 
1 1 1 19  -5  27 o 48.152  2.1852  322.445   27.434    323.690   43.440    321.619   35.384    48.041  3.3978  48.262  2.7486  -0.2215118     4.370339 
1 1 1 19  -5  28 o 7.4912  2.2702  -1.9529   8.8737    -25.0107  16.812    6.9518    10.448    6.5432  3.1616  8.4393  3.2589  -1.896119      4.540488 
1 1 1 19  -5  29 o 29.020  2.5033  119.674   18.381    128.436   30.585    114.720   22.997    29.597  3.9572  28.444  3.0671  1.152786       5.006662 
1 1 1 19  -5  30 o 17.042  6.7938  43.986    46.653    43.986    46.653    0.0000    0.0000    17.042  6.7938  ?       ?       ?              ?        
1 1 1 19  -5  31 o 12.552  3.0672  23.816    12.503    12.825    23.807    28.002    14.693    11.577  4.7650  13.527  3.8635  -1.950010      6.134483 
1 1 1 19  -5  32 o 18.272  3.2560  49.293    15.284    74.685    27.130    37.488    18.499    21.264  4.8684  15.279  4.3251  5.985379       6.512094 
1 1 1 19  -5  33 o 19.642  3.1765  73.124    16.685    35.897    29.786    90.148    20.142    14.603  5.5361  24.681  3.1164  -10.07704      6.353000 
1 1 1 19  -5  34 o 6.0140  2.0638  -19.7995  10.146    -49.7221  20.354    -9.9049   11.704    5.9833  2.9959  6.0448  2.8393  -0.6148291E-01 4.127583 
1 1 1 19  -5  35 o 10.926  3.0343  4.0318    12.382    39.701    24.848    -7.7511   14.282    14.855  5.1342  6.9960  3.2354  7.859448       6.068582 
1 1 1 19  -5  36 o 9.6948  4.4596  -3.4068   26.619    -3.4068   26.619    0.0000    0.0000    9.6948  4.4596  ?       ?       ?              ?        
1 1 1 19  -5  37 o 19.117  3.7018  83.393    20.774    54.157    44.112    91.725    23.549    14.763  6.3045  23.471  3.8816  -8.707593      7.403620 
1 1 1 19  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -4  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -4  7  o 65.459  1.9851  583.091   34.251    484.567   49.321    674.865   47.602    59.994  3.0797  70.925  2.5057  -10.93102      3.970282 
1 1 1 19  -4  8  o 135.462 2.9411  2475.94   106.455   2322.16   152.398   2622.48   148.767   131.315 4.3329  139.609 3.9783  -8.293884      5.882263 
1 1 1 19  -4  9  o 60.225  1.9382  491.058   30.962    448.084   45.356    528.559   42.370    57.689  2.9451  62.760  2.5205  -5.070652      3.876432 
1 1 1 19  -4  10 o 111.939 2.5402  1683.44   76.115    1758.21   109.824   1614.33   105.586   114.328 3.5863  109.549 3.5984  4.779427       5.080384 
1 1 1 19  -4  11 o 189.960 3.8401  4890.53   195.206   4712.91   278.294   5062.57   273.883   186.507 5.5708  193.412 5.2868  -6.905731      7.680133 
1 1 1 19  -4  12 o 113.446 5.3763  1744.71   163.368   1744.71   163.368   0.0000    0.0000    113.446 5.3763  ?       ?       ?              ?        
1 1 1 19  -4  13 o 89.145  2.2490  1065.90   53.599    1157.84   78.251    984.635   73.567    92.758  3.1495  85.531  3.2112  7.227089       4.497933 
1 1 1 19  -4  14 o 108.298 2.5309  1579.94   73.349    1626.55   106.505   1537.89   101.162   109.807 3.6212  106.790 3.5367  3.016815       5.061767 
1 1 1 19  -4  15 o 61.004  2.0012  500.268   32.559    508.291   48.515    493.693   43.918    61.435  2.9483  60.573  2.7069  0.8622360      4.002463 
1 1 1 19  -4  16 o 62.260  2.0290  523.765   33.633    508.243   49.965    536.626   45.480    61.391  3.0386  63.129  2.6897  -1.737930      4.057996 
1 1 1 19  -4  17 o 25.851  2.0734  88.419    13.289    135.320   20.790    56.018    17.280    31.606  2.4756  20.095  3.3268  11.51106       4.146839 
1 1 1 19  -4  18 o 61.589  2.0235  509.917   33.252    539.241   49.721    486.189   44.726    63.169  2.9387  60.009  2.7826  3.159908       4.047077 
1 1 1 19  -4  19 o 29.094  2.0888  118.793   15.491    100.593   23.925    131.933   20.328    27.013  3.3807  31.175  2.4543  -4.162340      4.177676 
1 1 1 19  -4  20 o 86.775  2.3593  1028.20   54.542    990.302   80.520    1060.34   74.143    85.210  3.5280  88.341  3.1334  -3.130463      4.718585 
1 1 1 19  -4  21 o 48.058  4.6488  323.452   59.093    323.452   59.093    0.0000    0.0000    48.058  4.6488  ?       ?       ?              ?        
1 1 1 19  -4  22 f 33.000  2.0530  147.495   17.721    160.465   27.839    138.660   22.978    34.166  3.0750  31.834  2.7210  2.332602       4.106062 
1 1 1 19  -4  23 o 39.200  2.0734  210.745   21.209    211.169   33.313    210.456   27.503    39.143  3.2055  39.257  2.6308  -0.1141396     4.146880 
1 1 1 19  -4  24 o 50.308  2.0665  340.575   27.405    392.401   42.925    304.915   35.606    53.450  3.0106  47.167  2.8315  6.283295       4.132911 
1 1 1 19  -4  25 o 41.605  2.1538  241.156   23.253    228.624   36.516    249.704   30.158    40.531  3.3949  42.679  2.6513  -2.147743      4.307520 
1 1 1 19  -4  26 o 35.996  2.1588  175.765   20.228    201.668   32.634    159.605   25.776    38.034  3.2341  33.957  2.8606  4.076252       4.317679 
1 1 1 19  -4  27 o 22.368  2.6963  73.402    14.722    68.744    24.979    75.881    18.224    21.503  4.4822  23.232  2.9985  -1.729134      5.392674 
1 1 1 19  -4  28 o 8.2093  2.3232  1.0596    9.2875    -26.7865  16.921    13.065    11.111    6.4502  3.1301  9.9683  3.4339  -3.518178      4.646408 
1 1 1 19  -4  29 o 7.2025  2.3527  -9.3563   10.391    -25.3713  19.316    -2.8338   12.327    7.1592  3.4419  7.2457  3.2085  -0.8642578E-01 4.705425 
1 1 1 19  -4  30 o 19.458  3.6179  56.284    18.162    0.0000    0.0000    56.284    18.162    ?       ?       19.458  3.6179  ?              ?        
1 1 1 19  -4  31 o 8.8680  2.6748  2.7947    11.329    -13.4813  21.141    9.3517    13.418    8.3561  3.8890  9.3799  3.6734  -1.023789      5.349611 
1 1 1 19  -4  32 o 9.1141  2.7280  -1.8201   11.075    18.205    20.142    -10.4983  13.260    11.706  4.5236  6.5226  3.0504  5.183002       5.455972 
1 1 1 19  -4  33 o 10.297  2.9232  12.260    11.871    2.6163    23.292    15.645    13.798    10.065  4.4358  10.529  3.8083  -0.4647474     5.846360 
1 1 1 19  -4  34 o 12.343  3.2354  18.173    13.303    39.941    25.078    9.6504    15.692    15.060  5.1605  9.6253  3.9040  5.434779       6.470819 
1 1 1 19  -4  35 o 11.074  3.1840  15.857    13.924    9.9934    27.727    17.834    16.101    11.157  4.8805  10.991  4.0904  0.1658335      6.367936 
1 1 1 19  -4  36 o 9.8077  4.4588  0.3360    25.600    0.3360    25.600    0.0000    0.0000    9.8077  4.4588  ?       ?       ?              ?        
1 1 1 19  -4  37 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  6  f 66.791  1.9206  602.960   34.097    529.906   49.011    671.483   47.467    62.832  2.9122  70.750  2.5048  -7.918026      3.841253 
1 1 1 19  -3  7  o 54.086  1.8782  393.841   27.072    381.970   39.529    404.327   37.152    53.275  2.7798  54.897  2.5266  -1.621494      3.756470 
1 1 1 19  -3  8  o 153.102 3.2295  3161.83   132.294   3065.67   189.594   3253.09   184.686   150.805 4.6938  155.400 4.4371  -4.595306      6.459018 
1 1 1 19  -3  9  o 109.503 2.5897  1620.17   75.604    1495.05   109.322   1734.86   104.670   105.405 3.8722  113.601 3.4399  -8.196457      5.179482 
1 1 1 19  -3  10 o 74.581  2.0881  746.636   41.618    755.149   61.114    739.274   56.831    74.970  3.0435  74.192  2.8599  0.7782364      4.176293 
1 1 1 19  -3  11 o 111.295 2.5432  1664.17   75.745    1750.42   109.844   1585.98   104.588   114.039 3.5961  108.550 3.5972  5.489044       5.086439 
1 1 1 19  -3  12 o 27.277  3.2526  101.513   23.296    0.0000    0.0000    101.513   23.296    ?       ?       27.277  3.2526  ?              ?        
1 1 1 19  -3  13 o 91.338  2.2946  1120.01   56.054    1186.59   81.994    1061.60   76.803    93.876  3.2609  88.799  3.2291  5.077049       4.589193 
1 1 1 19  -3  14 o 111.022 2.6246  1668.52   77.802    1589.59   112.879   1739.95   107.383   108.472 3.8851  113.573 3.5300  -5.100548      5.249285 
1 1 1 19  -3  15 o 127.636 2.8858  2211.08   98.409    2116.35   142.284   2297.95   136.254   124.950 4.2514  130.323 3.9034  -5.373550      5.771545 
1 1 1 19  -3  16 o 70.070  2.1219  664.503   39.575    639.450   58.708    685.368   53.577    68.824  3.1847  71.316  2.8048  -2.491974      4.243745 
1 1 1 19  -3  17 o 14.150  2.3281  25.632    8.8046    43.498    14.330    14.799    11.159    17.683  3.1406  10.617  3.4377  7.066732       4.656283 
1 1 1 19  -3  18 o 26.934  2.0910  101.839   14.266    87.569    22.352    111.646   18.531    25.190  3.3996  28.677  2.4356  -3.486656      4.182044 
1 1 1 19  -3  19 o 83.177  2.3040  941.657   51.050    917.770   75.699    961.584   69.138    82.141  3.4406  84.213  3.0651  -2.072021      4.607944 
1 1 1 19  -3  20 o 38.953  1.9626  203.377   20.134    229.522   31.328    184.977   26.281    41.040  2.8679  36.865  2.6799  4.175110       3.925126 
1 1 1 19  -3  21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  22 o 30.308  2.2815  133.530   17.081    100.121   26.669    156.767   22.241    26.697  3.8400  33.918  2.4650  -7.221060      4.563054 
1 1 1 19  -3  23 o 33.441  2.0785  149.947   18.118    175.089   29.048    133.937   23.180    35.654  3.0718  31.228  2.8010  4.425426       4.157068 
1 1 1 19  -3  24 o 8.4371  2.3467  3.6482    8.7666    -14.6438  15.296    12.596    10.698    6.9733  3.2659  9.9009  3.3706  -2.927646      4.693312 
1 1 1 19  -3  25 o 40.755  2.1189  225.761   22.585    249.422   35.983    210.381   29.011    42.414  3.1908  39.096  2.7887  3.317890       4.237710 
1 1 1 19  -3  26 o 22.226  2.5625  67.246    14.255    84.693    24.187    57.960    17.646    24.286  3.8464  20.167  3.3867  4.118462       5.124934 
1 1 1 19  -3  27 o 32.191  2.2901  140.552   19.023    171.831   31.293    122.216   23.959    34.874  3.3930  29.507  3.0767  5.366817       4.580268 
1 1 1 19  -3  28 o 14.683  2.9193  25.095    12.314    55.902    21.897    10.844    14.892    19.250  4.3493  10.116  3.8951  9.134308       5.838545 
1 1 1 19  -3  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -3  30 o 27.907  2.8469  121.195   19.055    102.962   32.028    131.185   23.708    25.512  4.8645  30.301  2.9589  -4.788391      5.693727 
1 1 1 19  -3  31 o 43.528  2.4333  276.598   27.257    286.711   44.507    270.529   34.479    43.690  3.8424  43.367  2.9865  0.3230171      4.866509 
1 1 1 19  -3  32 o 31.993  2.5693  145.837   20.882    189.586   35.690    123.065   25.749    35.259  3.8413  28.726  3.4133  6.532949       5.138674 
1 1 1 19  -3  33 f 9.5376  2.8071  7.6851    11.777    -5.5389   22.380    12.749    13.850    9.1244  4.1562  9.9507  3.7743  -0.8263140     5.614240 
1 1 1 19  -3  34 o 16.343  3.3063  50.065    16.158    26.353    30.306    59.481    19.098    13.258  5.4072  19.427  3.8064  -6.168788      6.612626 
1 1 1 19  -3  35 o 10.854  3.0780  -3.7251   14.137    43.782    26.607    -22.4127  16.688    15.292  5.3113  6.4160  3.1124  8.875801       6.155994 
1 1 1 19  -3  36 f 13.199  5.5271  31.833    32.813    31.833    32.813    0.0000    0.0000    13.199  5.5271  ?       ?       ?              ?        
1 1 1 19  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -2  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -2  4  o 29.301  1.9761  110.642   14.774    96.729    18.198    137.544   25.304    26.730  2.5735  31.871  2.9994  -5.141491      3.952151 
1 1 1 19  -2  5  o 190.627 3.7761  4901.92   192.795   4956.07   274.397   4849.13   270.942   191.665 5.3450  189.589 5.3355  2.076492       7.552240 
1 1 1 19  -2  6  o 34.821  1.9479  173.636   16.727    109.286   24.622    228.787   22.795    28.334  3.3066  41.308  2.0602  -12.97453      3.895883 
1 1 1 19  -2  7  o 64.415  2.0170  560.121   34.583    520.619   50.671    594.563   47.316    62.268  3.0382  66.563  2.6539  -4.295856      4.034045 
1 1 1 19  -2  8  o 47.863  1.9288  312.527   24.260    274.554   36.154    343.629   32.720    45.116  3.0091  50.609  2.4138  -5.493275      3.857550 
1 1 1 19  -2  9  o 96.919  3.0877  1298.21   72.930    1191.27   130.930   1346.32   87.815    93.750  5.2350  100.087 3.2757  -6.337387      6.175385 
1 1 1 19  -2  10 o 87.776  2.1664  1035.36   50.931    1048.74   72.077    1022.02   71.978    88.344  3.0460  87.208  3.0815  1.136024       4.332850 
1 1 1 19  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -2  12 o 108.497 2.4737  1585.66   71.878    1612.67   101.600   1558.59   101.701   109.428 3.4664  107.566 3.5299  1.861610       4.947320 
1 1 1 19  -2  13 o 61.352  1.9046  506.009   31.296    498.452   44.057    513.706   44.463    60.889  2.7014  61.815  2.6854  -0.9260941     3.809114 
1 1 1 19  -2  14 o 70.723  2.0077  673.197   38.031    673.573   53.564    672.815   54.006    70.745  2.8268  70.702  2.8518  0.4287720E-01  4.015412 
1 1 1 19  -2  15 o 9.9195  2.0500  12.195    6.5183    2.5531    9.1563    22.103    9.2815    7.2743  2.9701  12.565  2.8264  -5.290251      4.099958 
1 1 1 19  -2  16 o 27.668  1.7944  104.980   12.951    123.045   18.203    86.459    18.432    30.161  2.2699  25.176  2.7797  4.985077       3.588709 
1 1 1 19  -2  17 o 30.146  1.7792  123.338   14.204    113.488   19.907    133.553   20.273    28.898  2.5997  31.393  2.4299  -2.495699      3.558450 
1 1 1 19  -2  18 o 18.502  1.9972  47.500    9.5390    51.911    13.367    42.923    13.617    19.434  2.6358  17.570  3.0013  1.864571       3.994433 
1 1 1 19  -2  19 o 40.305  2.4811  228.754   23.678    209.231   43.650    236.893   28.185    38.815  4.2691  41.795  2.5296  -2.980350      4.962250 
1 1 1 19  -2  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -2  21 o 33.449  2.0709  153.262   17.998    153.755   28.385    152.930   23.276    33.417  3.2108  33.480  2.6163  -0.6279755E-01 4.141783 
1 1 1 19  -2  22 o 10.557  2.5692  14.045    9.1710    4.9815    15.061    19.387    11.562    9.3421  3.8111  11.772  3.4465  -2.429634      5.138369 
1 1 1 19  -2  23 o 6.7000  2.1402  -5.1080   7.7972    -6.6123   13.348    -4.3288   9.6065    7.2044  3.2530  6.1957  2.7819  1.008750       4.280302 
1 1 1 19  -2  24 o 27.920  2.2944  108.482   16.301    109.262   26.504    108.008   20.674    27.863  3.6382  27.976  2.7965  -0.1130581     4.588760 
1 1 1 19  -2  25 o 34.561  2.1854  158.883   19.558    202.463   32.046    133.014   24.690    38.175  3.1625  30.947  3.0169  7.227961       4.370772 
1 1 1 19  -2  26 o 43.180  2.2388  261.526   24.964    253.118   39.928    266.923   31.988    42.385  3.5497  43.974  2.7293  -1.588833      4.477633 
1 1 1 19  -2  27 o 42.143  2.1896  241.630   24.083    286.820   38.919    213.587   30.658    45.172  3.2381  39.114  2.9481  6.058281       4.379109 
1 1 1 19  -2  28 o 45.037  2.9657  292.954   34.716    273.708   44.497    322.894   55.498    43.459  3.8628  46.614  4.5010  -3.154434      5.931319 
1 1 1 19  -2  29 o 30.258  2.6658  135.652   19.776    130.167   33.721    138.528   24.416    29.279  4.4390  31.237  2.9532  -1.957958      5.331663 
1 1 1 19  -2  30 o 32.999  2.5733  161.007   21.239    159.603   35.598    161.783   26.465    32.384  4.2031  33.614  2.9700  -1.229710      5.146534 
1 1 1 19  -2  31 o 13.657  3.2011  29.730    13.532    23.251    23.977    32.758    16.391    12.871  4.9459  14.443  4.0652  -1.572203      6.402202 
1 1 1 19  -2  32 o 18.877  3.3489  55.149    15.984    73.067    28.724    47.111    19.238    20.621  5.2011  17.132  4.2201  3.488853       6.697813 
1 1 1 19  -2  33 o 15.378  3.4061  41.135    15.435    32.855    28.672    44.513    18.315    14.146  5.4150  16.609  4.1334  -2.463044      6.812269 
1 1 1 19  -2  34 o 11.063  3.2125  11.129    13.933    26.978    26.367    4.9892    16.412    13.087  5.1420  9.0393  3.8525  4.047348       6.425053 
1 1 1 19  -2  35 o 6.5617  3.2679  -46.8303  22.833    -46.8303  22.833    0.0000    0.0000    6.5617  3.2679  ?       ?       ?              ?        
1 1 1 19  -2  36 o 19.741  4.3632  68.566    22.457    0.0000    0.0000    68.566    22.457    ?       ?       19.741  4.3632  ?              ?        
1 1 1 19  -1  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -1  2  o 87.465  2.1164  1026.91   49.564    1034.39   69.319    1019.09   70.897    87.794  2.9478  87.137  3.0376  0.6572037      4.232810 
1 1 1 19  -1  3  f 84.759  2.0942  964.416   47.530    991.145   67.154    937.585   67.281    85.939  2.9174  83.580  3.0054  2.359543       4.188481 
1 1 1 19  -1  4  o 175.124 3.5248  4134.68   165.247   4280.37   233.257   3987.89   234.134   178.244 4.8857  172.004 5.0820  6.239380       7.049640 
1 1 1 19  -1  5  o 45.879  1.7111  284.464   20.813    320.997   29.255    247.018   29.618    48.926  2.2324  42.831  2.5939  6.094509       3.422245 
1 1 1 19  -1  6  o 75.914  2.0483  773.944   41.628    790.516   58.392    756.817   59.363    76.744  2.8407  75.084  2.9517  1.660233       4.096593 
1 1 1 19  -1  7  o 183.059 3.7285  4524.53   182.808   4573.17   258.298   4475.71   258.763   184.055 5.2395  182.064 5.3063  1.990234       7.457090 
1 1 1 19  -1  8  o 103.766 2.4492  1447.47   68.069    1434.79   96.214    1460.18   96.316    103.310 3.4770  104.223 3.4502  -0.9130020     4.898332 
1 1 1 19  -1  9  o 81.668  2.1147  895.997   46.258    902.955   65.448    889.051   65.389    81.986  2.9804  81.351  3.0009  0.6354065      4.229420 
1 1 1 19  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -1  11 o 66.655  1.9363  596.980   34.568    601.504   48.826    592.435   48.947    66.909  2.7245  66.400  2.7521  0.5085144      3.872595 
1 1 1 19  -1  12 o 41.215  1.7774  229.107   19.523    234.480   27.554    223.691   27.666    41.706  2.4777  40.724  2.5491  0.9821701      3.554859 
1 1 1 19  -1  13 o 61.942  1.9030  515.994   31.572    518.386   44.487    513.567   44.813    62.088  2.6751  61.796  2.7074  0.2923393      3.806080 
1 1 1 19  -1  14 o 62.547  1.9274  526.543   32.288    528.421   45.504    524.638   45.823    62.661  2.7112  62.433  2.7402  0.2279854      3.854763 
1 1 1 19  -1  15 o 135.210 2.9465  2481.53   106.704   2451.80   150.630   2511.48   151.176   134.390 4.1846  136.031 4.1491  -1.641220      5.892913 
1 1 1 19  -1  16 o 8.3919  2.0952  6.6961    6.3259    13.898    9.1941    0.2219    8.7173    10.133  3.0992  6.6508  2.8202  3.482206       4.190330 
1 1 1 19  -1  17 o 57.860  1.9066  452.169   29.530    465.758   41.538    438.284   41.989    58.749  2.6397  56.971  2.7517  1.777790       3.813127 
1 1 1 19  -1  18 o 40.546  1.7944  223.145   19.361    233.319   27.145    212.611   27.621    41.507  2.4525  39.584  2.6200  1.923004       3.588736 
1 1 1 19  -1  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -1  20 o 62.428  1.9683  528.854   32.909    518.527   46.244    539.451   46.842    61.807  2.7933  63.048  2.7738  -1.240566      3.936588 
1 1 1 19  -1  21 o 83.551  2.2375  953.365   50.062    969.767   70.504    936.685   71.097    84.297  3.1225  82.805  3.2056  1.491951       4.475039 
1 1 1 19  -1  22 o 12.120  2.4702  20.624    8.4827    22.829    12.072    18.473    11.922    12.684  3.4581  11.555  3.5284  1.129804       4.940454 
1 1 1 19  -1  23 o 61.059  1.9995  509.358   32.685    523.239   46.016    495.222   46.435    61.921  2.7745  60.197  2.8799  1.723953       3.998958 
1 1 1 19  -1  24 o 10.134  2.2734  11.016    8.0739    -1.6757   11.219    24.653    11.629    7.1523  3.1172  13.116  3.3101  -5.963630      4.546793 
1 1 1 19  -1  25 o 19.583  2.2849  54.498    11.536    49.866    16.383    59.052    16.245    18.683  3.3990  20.483  3.0545  -1.799330      4.569802 
1 1 1 19  -1  26 f 13.735  2.5793  27.424    9.7500    22.143    13.666    32.899    13.915    12.437  3.7730  15.034  3.5180  -2.597247      5.158689 
1 1 1 19  -1  27 o 19.544  3.1442  48.643    14.516    81.437    29.452    38.120    16.684    23.070  4.9167  16.017  3.9205  7.052122       6.288387 
1 1 1 19  -1  28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  -1  29 o 25.045  2.7479  90.417    17.091    105.062   29.374    82.921    21.015    26.251  4.3285  23.839  3.3864  2.411936       5.495790 
1 1 1 19  -1  30 o 10.738  2.9738  13.434    12.070    8.6647    21.570    15.609    14.564    10.703  4.4815  10.773  3.9102  -0.7047176E-01 5.947544 
1 1 1 19  -1  31 o 17.287  2.9945  55.974    15.617    12.911    28.055    75.309    18.799    11.968  5.0664  22.606  3.1936  -10.63745      5.988930 
1 1 1 19  -1  32 o 14.676  3.2210  36.914    14.471    22.667    25.688    43.536    17.514    12.769  5.0567  16.584  3.9911  -3.815461      6.442029 
1 1 1 19  -1  33 o 15.912  3.5377  42.811    15.955    45.933    29.529    41.524    18.960    15.937  5.5919  15.887  4.3350  0.4996872E-01  7.075469 
1 1 1 19  -1  34 o 15.127  3.6200  37.819    16.065    51.785    30.612    32.511    18.873    16.383  5.6966  13.871  4.4685  2.512445       7.240039 
1 1 1 19  -1  35 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  0   0  f 122.822 2.6766  2027.43   88.025    2052.55   123.371   2001.37   125.631   123.603 3.7265  122.040 3.8433  1.563133       5.353262 
1 1 1 19  0   1  o 163.427 3.3095  3596.38   144.809   3699.55   204.292   3492.20   205.294   165.797 4.6003  161.056 4.7589  4.740967       6.618903 
1 1 1 19  0   2  o 123.084 2.6684  2035.81   87.971    2040.49   124.310   2031.11   124.510   123.227 3.7663  122.941 3.7811  0.2852478      5.336818 
1 1 1 19  0   3  o 92.307  2.1934  1143.97   54.222    1164.05   76.548    1123.75   76.816    93.122  3.0690  91.492  3.1346  1.630692       4.386807 
1 1 1 19  0   4  o 64.164  1.8260  552.408   31.376    560.021   44.173    544.657   44.574    64.612  2.5525  63.717  2.6118  0.8949089      3.651931 
1 1 1 19  0   5  f 59.854  1.8148  480.548   29.092    473.256   40.822    488.072   41.469    59.393  2.5661  60.316  2.5669  -0.9224930     3.629556 
1 1 1 19  0   6  o 99.842  2.3574  1339.02   63.026    1298.07   88.564    1381.03   89.713    98.293  3.3639  101.391 3.3034  -3.097954      4.714719 
1 1 1 19  0   7  o 55.004  1.8667  406.010   27.498    403.873   38.561    408.222   39.224    54.858  2.6244  55.151  2.6553  -0.2932434     3.733329 
1 1 1 19  0   8  o 131.967 5.5472  2356.17   196.079   2356.17   196.079   0.0000    0.0000    131.967 5.5472  ?       ?       ?              ?        
1 1 1 19  0   9  o 92.102  2.9990  1160.50   67.554    1106.77   121.822   1184.36   81.179    90.345  5.0545  93.859  3.2291  -3.514687      5.997931 
1 1 1 19  0   10 o 180.783 3.6497  4425.81   176.729   4415.61   250.129   4435.97   249.735   180.572 5.1716  180.995 5.1514  -0.4236908     7.299462 
1 1 1 19  0   11 o 59.517  1.8992  476.040   30.275    471.624   42.842    480.446   42.790    59.240  2.7000  59.794  2.6717  -0.5536728     3.798439 
1 1 1 19  0   12 o 28.357  1.8598  109.787   13.760    89.540    19.365    130.438   19.557    25.642  2.8686  31.072  2.3677  -5.429642      3.719514 
1 1 1 19  0   13 o 67.037  1.9611  604.750   35.213    602.437   49.750    607.071   49.847    66.909  2.7760  67.166  2.7708  -0.2574158     3.922164 
1 1 1 19  0   14 o 56.092  1.8820  423.539   28.274    421.271   39.933    425.819   40.040    55.941  2.6651  56.243  2.6579  -0.3018990     3.763906 
1 1 1 19  0   15 o 52.750  1.8475  375.573   26.030    393.586   36.777    357.491   36.847    54.062  2.5398  51.438  2.6837  2.623745       3.694953 
1 1 1 19  0   16 o 58.667  1.8912  464.309   29.709    450.110   41.865    478.714   42.168    57.758  2.7061  59.576  2.6425  -1.817272      3.782326 
1 1 1 19  0   17 o 26.582  1.8626  96.578    13.027    106.145   18.414    86.994    18.430    27.941  2.4865  25.223  2.7739  2.718405       3.725183 
1 1 1 19  0   18 o 60.605  3.6499  502.802   58.972    502.802   58.972    0.0000    0.0000    60.605  3.6499  ?       ?       ?              ?        
1 1 1 19  0   19 o 56.012  1.8940  425.018   28.407    411.181   39.977    439.129   40.372    55.084  2.7096  56.941  2.6471  -1.856476      3.787961 
1 1 1 19  0   20 o 82.521  2.2283  928.468   49.236    897.107   69.289    960.455   69.976    81.095  3.1899  83.947  3.1121  -2.851273      4.456565 
1 1 1 19  0   21 o 12.169  2.4148  20.873    8.1913    21.180    11.672    20.575    11.498    12.252  3.4241  12.086  3.4059  0.1663532      4.829543 
1 1 1 19  0   22 o 26.673  1.9560  98.231    13.688    109.260   19.364    87.216    19.352    28.234  2.5894  25.113  2.9322  3.120604       3.911924 
1 1 1 19  0   23 o 41.390  1.9032  235.019   20.953    244.134   29.270    225.440   30.006    42.249  2.5992  40.531  2.7808  1.717396       3.806377 
1 1 1 19  0   24 o 30.224  1.9585  126.085   15.623    113.349   21.769    139.611   22.434    28.602  2.8808  31.846  2.6542  -3.244350      3.917082 
1 1 1 19  0   25 o 47.977  1.9510  317.477   24.921    293.519   34.868    342.496   35.632    46.080  2.8388  49.873  2.6771  -3.792797      3.902057 
1 1 1 19  0   26 o 15.823  2.5882  36.820    10.796    42.295    15.203    31.250    15.335    17.082  3.4418  14.565  3.8663  2.516716       5.176313 
1 1 1 19  0   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  0   28 o 13.989  2.5440  28.702    10.495    45.822    14.991    12.246    14.698    17.715  3.2803  10.264  3.8893  7.450911       5.087994 
1 1 1 19  0   29 o 30.184  2.1268  130.551   16.962    129.524   23.712    131.627   24.275    30.078  2.9826  30.290  3.0328  -0.2126846     4.253683 
1 1 1 19  0   30 o 11.790  2.4585  16.368    10.139    38.908    14.953    -2.8120   13.794    16.005  3.5780  7.5765  3.3725  8.428089       4.916907 
1 1 1 19  0   31 o 13.887  2.6933  29.631    11.343    45.817    15.991    13.238    16.093    17.338  3.5624  10.436  4.0405  6.901965       5.386694 
1 1 1 19  0   32 o 10.362  3.0143  3.6816    11.845    27.540    24.661    -3.4728   13.504    13.371  5.0449  7.3535  3.3003  6.017016       6.028499 
1 1 1 19  0   33 o 28.266  3.0532  122.861   21.168    148.236   37.504    110.998   25.644    29.685  4.8870  26.848  3.6615  2.836744       6.106482 
1 1 1 19  0   34 o 25.943  5.8885  129.738   39.981    129.738   39.981    0.0000    0.0000    25.943  5.8885  ?       ?       ?              ?        
1 1 1 19  0   35 f 12.235  3.4000  25.582    15.412    19.832    32.518    27.247    17.503    11.972  5.2598  12.498  4.3097  -0.5267868     6.799957 
1 1 1 19  1   0  o 196.612 3.9071  5216.10   205.615   5431.77   290.505   4999.60   291.063   200.716 5.4036  192.507 5.6448  8.209274       7.814275 
1 1 1 19  1   1  o 127.738 2.7305  2192.94   93.422    2191.49   132.018   2194.39   132.219   127.696 3.8598  127.780 3.8632  -0.8425140E-01 5.460964 
1 1 1 19  1   2  o 136.590 2.8921  2509.10   105.793   2554.43   149.408   2463.53   149.822   137.833 4.0470  135.347 4.1327  2.486145       5.784246 
1 1 1 19  1   3  o 164.407 3.3019  3639.85   145.400   3637.25   205.129   3642.47   206.127   164.350 4.6598  164.464 4.6792  -0.1143188     6.603713 
1 1 1 19  1   4  o 101.666 2.3495  1389.68   63.905    1459.35   90.038    1318.96   90.716    104.245 3.2247  99.087  3.4181  5.157684       4.699097 
1 1 1 19  1   5  o 165.900 3.3794  3710.06   150.146   3766.75   211.730   3652.71   212.952   167.186 4.7282  164.614 4.8298  2.572433       6.758853 
1 1 1 19  1   6  o 81.702  2.1129  896.198   46.233    877.224   64.940    915.700   65.837    80.824  2.9997  82.579  2.9765  -1.755188      4.225863 
1 1 1 19  1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  1   8  o 40.618  1.7664  222.341   19.118    227.142   26.933    217.466   27.142    41.065  2.4600  40.171  2.5356  0.8946114      3.532823 
1 1 1 19  1   9  o 118.054 2.6586  1877.20   84.063    1901.11   119.002   1853.39   118.764   118.808 3.7395  117.300 3.7801  1.507820       5.317234 
1 1 1 19  1   10 o 59.355  1.9291  473.428   30.670    474.458   43.430    472.403   43.318    59.419  2.7288  59.291  2.7276  0.1287346      3.858299 
1 1 1 19  1   11 o 38.690  1.8259  202.068   18.811    198.757   26.573    205.393   26.634    38.369  2.6010  39.012  2.5631  -0.6427078     3.651711 
1 1 1 19  1   12 o 73.817  2.0776  733.526   41.078    734.439   58.092    732.612   58.093    73.864  2.9363  73.771  2.9400  0.9241486E-01  4.155153 
1 1 1 19  1   13 o 16.729  2.0779  38.827    8.9649    37.696    12.822    39.909    12.539    16.471  3.0176  16.986  2.8574  -0.5153923     4.155783 
1 1 1 19  1   14 o 101.461 2.4150  1391.75   65.630    1388.65   92.762    1394.86   92.869    101.347 3.4172  101.575 3.4135  -0.2273102     4.830006 
1 1 1 19  1   15 o 87.412  2.2035  1032.83   51.587    1015.52   72.830    1050.27   73.080    86.671  3.1372  88.152  3.0951  -1.481071      4.407051 
1 1 1 19  1   16 o 33.421  1.7805  151.496   15.820    153.448   22.383    149.548   22.363    33.640  2.5021  33.202  2.5338  0.4380798      3.560980 
1 1 1 19  1   17 o 20.039  3.5938  56.276    18.581    56.276    18.581    0.0000    0.0000    20.039  3.5938  ?       ?       ?              ?        
1 1 1 19  1   18 o 78.510  2.1339  837.038   44.867    850.575   63.305    823.375   63.599    79.160  2.9857  77.861  3.0496  1.298500       4.267818 
1 1 1 19  1   19 o 66.015  2.0217  592.047   35.736    605.437   50.323    578.425   50.757    66.783  2.8133  65.247  2.9043  1.535583       4.043446 
1 1 1 19  1   20 o 38.793  1.8478  205.041   19.085    200.908   26.851    209.260   27.132    38.393  2.6269  39.193  2.5993  -0.8003883     3.695523 
1 1 1 19  1   21 o 44.923  1.8852  275.679   22.541    292.827   31.784    258.328   31.972    46.365  2.5694  43.482  2.7594  2.882442       3.770447 
1 1 1 19  1   22 o 11.628  2.4890  18.702    8.4706    21.915    12.153    15.667    11.813    12.432  3.5009  10.824  3.5388  1.607923       4.977905 
1 1 1 19  1   23 o 49.109  1.9320  330.833   25.301    336.814   35.467    324.636   36.103    49.583  2.6805  48.634  2.7831  0.9495850      3.864003 
1 1 1 19  1   24 o 39.460  1.9390  214.800   20.344    223.892   28.635    205.532   28.910    40.338  2.6653  38.581  2.8170  1.756828       3.878060 
1 1 1 19  1   25 o 11.098  2.5868  16.192    9.1970    22.821    13.197    9.9329    12.824    12.585  3.6813  9.6102  3.6351  2.975171       5.173599 
1 1 1 19  1   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  1   27 o 16.641  2.6430  41.300    11.543    34.193    16.240    48.558    16.411    15.081  3.9671  18.201  3.4932  -3.120399      5.285901 
1 1 1 19  1   28 o 14.230  2.5677  30.039    10.863    48.580    15.436    11.845    15.290    18.209  3.2857  10.250  3.9468  7.959846       5.135454 
1 1 1 19  1   29 o 21.981  2.4337  71.489    13.836    75.874    19.579    67.113    19.555    22.740  3.3118  21.221  3.5670  1.519325       4.867359 
1 1 1 19  1   30 o 12.606  2.7994  23.554    10.906    32.881    15.818    15.103    15.056    14.523  3.9581  10.688  3.9598  3.834916       5.598838 
1 1 1 19  1   31 o 13.689  2.8730  29.382    11.573    36.943    16.328    21.749    16.405    15.329  3.9516  12.050  4.1713  3.278863       5.745911 
1 1 1 19  1   32 o 24.276  2.5255  89.897    15.847    96.882    22.126    82.541    22.708    25.446  3.3259  23.106  3.8014  2.339752       5.050978 
1 1 1 19  1   33 o 6.3830  2.1272  -13.5469  9.6598    -4.8266   13.530    -22.6130  13.796    7.1272  3.2407  5.6389  2.7562  1.488252       4.254313 
1 1 1 19  1   34 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  2   0  o 212.981 4.1890  6125.34   238.968   6131.94   337.693   6118.72   338.211   213.098 5.9163  212.864 5.9320  0.2344208      8.378013 
1 1 1 19  2   1  o 110.422 2.4517  1637.72   72.512    1626.75   102.437   1648.74   102.659   110.051 3.4752  110.794 3.4593  -0.7430496     4.903450 
1 1 1 19  2   2  o 38.804  1.6700  202.623   17.261    213.583   24.649    192.075   24.180    39.841  2.3199  37.767  2.4028  2.073318       3.339951 
1 1 1 19  2   3  o 88.162  2.1734  1043.79   51.310    1064.15   72.276    1023.10   72.854    89.032  3.0308  87.292  3.1160  1.739914       4.346849 
1 1 1 19  2   4  o 131.899 2.7888  2341.55   98.454    2432.59   138.770   2249.28   139.704   134.496 3.8521  129.303 4.0338  5.192657       5.577647 
1 1 1 19  2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  2   6  o 179.045 3.6001  4329.28   172.618   4220.71   243.406   4439.14   244.838   176.772 5.1408  181.318 5.0414  -4.546051      7.200198 
1 1 1 19  2   7  o 175.794 3.6210  4177.52   170.491   4120.38   240.719   4235.04   241.505   174.579 5.1479  177.009 5.0938  -2.429672      7.242068 
1 1 1 19  2   8  f 83.329  2.1866  933.509   48.797    913.925   68.857    953.267   69.162    82.448  3.1180  84.210  3.0663  -1.761284      4.373117 
1 1 1 19  2   9  o 63.035  1.9739  534.061   33.324    543.938   47.120    524.179   47.133    63.621  2.7652  62.450  2.8177  1.170319       3.947891 
1 1 1 19  2   10 o 69.777  2.0191  654.896   37.724    636.222   53.351    673.568   53.348    68.778  2.8960  70.776  2.8141  -1.998199      4.038111 
1 1 1 19  2   11 o 134.518 2.9251  2447.60   105.388   2423.08   149.148   2472.05   148.933   133.838 4.1606  135.199 4.1127  -1.360977      5.850192 
1 1 1 19  2   12 o 151.821 3.1872  3129.10   129.599   3166.00   183.414   3092.30   183.148   152.725 4.4837  150.916 4.5308  1.809464       6.374301 
1 1 1 19  2   13 o 28.797  1.8142  112.473   13.840    117.153   19.742    107.951   19.407    29.396  2.5321  28.199  2.5987  1.196617       3.628338 
1 1 1 19  2   14 o 19.085  2.0291  50.563    9.9546    43.030    14.144    57.958    14.013    17.591  3.1158  20.579  2.6002  -2.987501      4.058280 
1 1 1 19  2   15 o 46.975  1.8167  298.606   22.743    280.784   32.021    316.747   32.307    45.543  2.6362  48.406  2.5003  -2.862671      3.633317 
1 1 1 19  2   16 o 26.724  3.3786  98.487    23.644    98.487    23.644    0.0000    0.0000    26.724  3.3786  ?       ?       ?              ?        
1 1 1 19  2   17 o 47.381  1.8669  304.649   23.594    311.069   33.319    298.193   33.415    47.891  2.6073  46.871  2.6727  1.019585       3.733755 
1 1 1 19  2   18 o 103.575 2.5197  1466.81   69.888    1499.00   98.728    1434.48   98.945    104.740 3.5191  102.410 3.6071  2.330223       5.039417 
1 1 1 19  2   19 o 26.236  1.9341  94.442    13.385    96.307    18.794    92.522    19.068    26.513  2.6834  25.959  2.7860  0.5542583      3.868137 
1 1 1 19  2   20 o 12.381  2.4520  21.633    8.4562    21.041    11.962    22.225    11.956    12.227  3.4837  12.535  3.4516  -0.3074551     4.904048 
1 1 1 19  2   21 o 24.405  1.9995  82.326    12.800    76.682    18.066    88.015    18.138    23.527  2.9303  25.283  2.7212  -1.755955      3.998933 
1 1 1 19  2   22 o 22.712  2.1912  73.006    12.578    92.954    17.932    53.688    17.647    25.990  2.6113  19.435  3.5195  6.554840       4.382494 
1 1 1 19  2   23 o 18.851  2.3410  50.514    11.376    54.255    16.142    46.823    16.034    19.598  3.1844  18.103  3.4324  1.494373       4.682055 
1 1 1 19  2   24 o 18.195  2.4439  48.366    11.386    34.899    16.147    61.686    16.059    15.436  3.9031  20.954  2.9423  -5.518098      4.887876 
1 1 1 19  2   25 o 11.230  3.8560  16.865    14.005    16.865    14.005    0.0000    0.0000    11.230  3.8560  ?       ?       ?              ?        
1 1 1 19  2   26 o 25.455  2.2744  93.132    14.834    112.920   21.096    73.781    20.862    28.364  2.8140  22.545  3.5738  5.818130       4.548735 
1 1 1 19  2   27 o 17.211  2.6022  44.909    11.786    60.613    16.678    29.244    16.657    20.500  3.1372  13.922  4.1526  6.577912       5.204421 
1 1 1 19  2   28 o 17.608  2.6416  46.806    12.077    50.549    17.115    43.094    17.045    18.390  3.6035  16.827  3.8635  1.563011       5.283185 
1 1 1 19  2   29 o 37.600  2.1084  203.719   20.909    227.202   29.442    179.824   29.698    39.980  2.7664  35.221  3.1824  4.758602       4.216718 
1 1 1 19  2   30 o 22.493  2.5100  75.948    14.609    73.266    20.771    78.574    20.551    22.028  3.6481  22.959  3.4485  -0.9303932     5.020041 
1 1 1 19  2   31 o 27.195  2.3770  110.213   16.869    100.763   23.899    119.595   23.815    25.876  3.5412  28.515  3.1718  -2.639135      4.754003 
1 1 1 19  2   32 o 23.615  2.6507  86.409    16.146    77.588    22.603    95.600    23.073    22.198  3.9462  25.032  3.5400  -2.834091      5.301355 
1 1 1 19  2   33 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  3   0  o 188.575 3.7556  4795.53   189.692   4791.47   267.990   4799.60   268.541   188.496 5.3080  188.654 5.3144  -0.1582642     7.511140 
1 1 1 19  3   1  o 46.463  1.7084  290.383   21.183    287.075   30.174    293.597   29.746    46.199  2.4472  46.727  2.3846  -0.5281448     3.416886 
1 1 1 19  3   2  o 202.441 7.9867  5582.10   433.068   5582.10   433.068   0.0000    0.0000    202.441 7.9867  ?       ?       ?              ?        
1 1 1 19  3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  3   4  o 136.184 2.9069  2497.36   105.994   2563.12   149.338   2430.61   150.464   138.003 4.0401  134.365 4.1808  3.637833       5.813885 
1 1 1 19  3   5  o 49.897  1.7997  334.777   23.994    343.941   33.718    325.376   34.151    50.626  2.4865  49.168  2.6025  1.458401       3.599412 
1 1 1 19  3   6  o 110.637 2.5515  1646.86   75.607    1626.92   106.396   1667.19   107.461   109.960 3.6125  111.314 3.6042  -1.353638      5.102965 
1 1 1 19  3   7  o 199.684 3.9797  5408.53   212.802   5262.21   300.457   5555.81   301.440   196.943 5.6958  202.424 5.5597  -5.481094      7.959372 
1 1 1 19  3   8  o 86.936  2.2438  1016.74   52.247    1010.01   73.711    1023.54   74.067    86.647  3.1761  87.226  3.1702  -0.5790787     4.487536 
1 1 1 19  3   9  o 100.760 2.4405  1367.90   65.862    1383.91   93.142    1351.89   93.144    101.353 3.4310  100.167 3.4717  1.186172       4.881031 
1 1 1 19  3   10 o 39.445  1.8426  210.100   19.357    212.645   27.367    207.553   27.383    39.687  2.5886  39.203  2.6229  0.4844055      3.685218 
1 1 1 19  3   11 o 55.312  1.9657  413.182   28.966    451.630   41.024    374.959   40.904    57.938  2.6436  52.687  2.9098  5.251038       3.931343 
1 1 1 19  3   12 o 94.585  2.3808  1208.56   60.315    1199.89   85.367    1217.21   85.230    94.242  3.3819  94.927  3.3521  -0.6847610     4.761663 
1 1 1 19  3   13 o 57.991  1.9567  453.457   30.392    457.015   43.034    449.915   42.929    58.219  2.7597  57.762  2.7747  0.4561386      3.913414 
1 1 1 19  3   14 o 56.829  1.9277  435.880   29.343    436.778   41.521    434.984   41.473    56.888  2.7249  56.771  2.7274  0.1173210      3.855370 
1 1 1 19  3   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  3   16 o 51.295  1.8911  356.564   25.912    370.861   36.595    342.188   36.695    52.376  2.6086  50.214  2.7386  2.161564       3.782136 
1 1 1 19  3   17 o 30.970  1.8582  130.738   15.268    131.373   21.691    130.114   21.495    31.044  2.6335  30.896  2.6222  0.1478291      3.716328 
1 1 1 19  3   18 o 99.428  2.4347  1351.53   64.829    1376.14   91.519    1326.75   91.844    100.359 3.4046  98.497  3.4813  1.861748       4.869365 
1 1 1 19  3   19 o 24.169  1.9915  80.432    12.648    81.546    18.075    79.363    17.706    24.332  2.8260  24.005  2.8067  0.3273506      3.982977 
1 1 1 19  3   20 o 7.8410  2.2212  3.5145    7.3182    -1.5344   10.703    7.9469    10.029    7.0226  3.0529  8.6593  3.2271  -1.636672      4.442327 
1 1 1 19  3   21 o 36.451  1.9180  182.160   18.572    172.086   26.105    192.486   26.428    35.405  2.7749  37.496  2.6485  -2.090748      3.835942 
1 1 1 19  3   22 o 28.633  1.9860  113.291   15.035    113.330   21.258    113.252   21.268    28.638  2.8075  28.628  2.8099  0.1067352E-01  3.972089 
1 1 1 19  3   23 o 21.449  2.2163  64.851    12.353    66.626    17.489    63.084    17.450    21.763  3.0868  21.136  3.1810  0.6275692      4.432525 
1 1 1 19  3   24 o 28.885  2.8979  116.473   22.119    116.473   22.119    0.0000    0.0000    28.885  2.8979  ?       ?       ?              ?        
1 1 1 19  3   25 f 42.734  2.0200  254.785   22.977    244.809   32.313    264.989   32.679    41.858  2.9000  43.609  2.8127  -1.750748      4.039952 
1 1 1 19  3   26 o 25.312  2.2260  91.565    14.764    91.445    20.716    91.689    21.048    25.308  3.1222  25.317  3.1737  -0.8520126E-02 4.452053 
1 1 1 19  3   27 f 28.095  2.2218  114.385   16.184    131.018   22.588    96.842    23.198    30.423  2.8035  25.767  3.4476  4.655922       4.443615 
1 1 1 19  3   28 o 25.486  2.2732  94.595    15.112    102.438   21.350    86.719    21.394    26.660  3.0445  24.313  3.3764  2.347227       4.546325 
1 1 1 19  3   29 o 28.707  2.3156  122.170   17.030    145.683   23.771    97.373    24.411    31.926  2.8083  25.488  3.6825  6.438238       4.631191 
1 1 1 19  3   30 o 28.446  2.2975  119.417   17.072    128.627   23.685    109.458   24.630    29.776  3.0111  27.116  3.4709  2.660601       4.594977 
1 1 1 19  3   31 o 26.215  2.4826  103.881   16.960    108.757   23.818    98.865    24.155    26.957  3.3726  25.473  3.6441  1.483971       4.965274 
1 1 1 19  3   32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  4   0  o 95.554  3.0942  1224.65   79.030    1337.45   115.416   1125.07   108.441   99.688  4.3225  91.421  4.4286  8.267937       6.188367 
1 1 1 19  4   1  o 113.232 2.4844  1723.46   75.323    1771.36   106.316   1675.18   106.732   114.818 3.4570  111.646 3.5691  3.172867       4.968855 
1 1 1 19  4   2  o 77.727  2.0384  811.103   42.435    817.916   59.881    804.230   60.144    78.056  2.8641  77.398  2.9012  0.6581879      4.076761 
1 1 1 19  4   3  o 50.855  1.7716  347.050   24.130    350.377   34.113    343.718   34.137    51.100  2.4924  50.611  2.5182  0.4889107      3.543103 
1 1 1 19  4   4  o 62.518  1.9185  524.961   32.112    539.287   45.228    510.396   45.602    63.381  2.6641  61.655  2.7614  1.726597       3.837046 
1 1 1 19  4   5  o 156.744 3.2761  3317.03   137.520   3365.59   193.832   3267.82   195.141   157.912 4.5827  155.575 4.6829  2.336990       6.552173 
1 1 1 19  4   6  o 150.372 3.1752  3053.15   127.885   3029.52   180.202   3077.12   181.518   149.786 4.4916  150.959 4.4893  -1.172974      6.350426 
1 1 1 19  4   7  o 105.130 2.5005  1488.73   70.405    1501.70   99.198    1475.55   99.942    105.597 3.5072  104.664 3.5650  0.9331360      5.001012 
1 1 1 19  4   8  o 116.260 2.6481  1823.10   82.463    1815.19   116.400   1831.07   116.841   116.007 3.7461  116.513 3.7440  -0.5068054     5.296278 
1 1 1 19  4   9  f 62.215  2.0091  520.845   33.466    502.596   47.189    539.311   47.469    61.114  2.8828  63.315  2.7991  -2.201523      4.018104 
1 1 1 19  4   10 o 41.239  1.8603  229.723   20.440    232.860   28.908    226.586   28.905    41.524  2.6125  40.953  2.6492  0.5702553      3.720661 
1 1 1 19  4   11 o 124.241 2.7793  2091.74   92.478    2055.84   130.841   2127.58   130.727   123.162 3.9662  125.319 3.8946  -2.156952      5.558644 
1 1 1 19  4   12 o 55.952  1.9400  422.659   29.013    408.843   40.984    436.537   41.077    54.993  2.7916  56.910  2.6948  -1.916836      3.880032 
1 1 1 19  4   13 o 30.865  1.8605  129.737   15.155    115.183   21.375    144.449   21.490    29.082  2.7778  32.647  2.4760  -3.564686      3.721086 
1 1 1 19  4   14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  4   15 o 61.178  1.9935  506.617   32.663    515.492   46.325    497.844   46.061    61.715  2.8025  60.641  2.8358  1.073231       3.986931 
1 1 1 19  4   16 o 48.298  1.9061  317.060   24.521    337.859   34.745    296.420   34.611    49.903  2.6084  46.693  2.7800  3.210907       3.812120 
1 1 1 19  4   17 o 65.476  2.0244  582.268   35.479    608.142   50.259    556.568   50.090    66.945  2.8029  64.007  2.9217  2.937653       4.048751 
1 1 1 19  4   18 o 33.364  1.8862  151.999   16.712    155.186   23.627    148.807   23.642    33.723  2.6367  33.005  2.6980  0.7189636      3.772444 
1 1 1 19  4   19 o 52.404  1.9612  374.704   27.429    375.993   38.727    373.406   38.854    52.498  2.7639  52.310  2.7831  0.1880608      3.922340 
1 1 1 19  4   20 o 30.877  1.9618  131.014   16.051    129.558   22.715    132.465   22.684    30.699  2.7931  31.055  2.7557  -0.3554420     3.923682 
1 1 1 19  4   21 o 11.181  2.5359  16.903    8.6727    20.116    12.352    13.779    12.180    11.960  3.5778  10.402  3.5947  1.558414       5.071745 
1 1 1 19  4   22 f 32.362  2.0430  145.830   17.312    170.287   24.583    121.768   24.383    35.180  2.6278  29.544  3.1288  5.635433       4.085958 
1 1 1 19  4   23 o 67.184  3.0727  625.847   55.294    625.847   55.294    0.0000    0.0000    67.184  3.0727  ?       ?       ?              ?        
1 1 1 19  4   24 f 14.195  2.7137  29.589    10.822    38.069    15.363    21.237    15.247    16.108  3.6458  12.283  4.0207  3.824637       5.427467 
1 1 1 19  4   25 o 32.403  2.0595  147.796   17.654    157.543   25.091    138.240   24.845    33.517  2.8212  31.290  3.0012  2.226490       4.119036 
1 1 1 19  4   26 o 10.244  2.6044  12.873    9.3678    18.850    13.362    7.0952    13.137    11.480  3.7643  9.0072  3.6004  2.473087       5.208900 
1 1 1 19  4   27 o 43.881  2.0736  273.709   24.229    275.212   34.082    272.174   34.452    44.025  2.9066  43.736  2.9583  0.2888603      4.147236 
1 1 1 19  4   28 o 30.464  2.1911  134.242   17.589    141.799   24.708    126.478   25.043    31.429  2.9703  29.498  3.2220  1.931078       4.382203 
1 1 1 19  4   29 o 17.702  2.7775  49.647    13.016    34.241    18.839    63.716    18.003    14.683  4.4246  20.721  3.3587  -6.037811      5.554983 
1 1 1 19  4   30 o 9.3183  2.4438  3.3661    10.397    -21.4433  15.528    23.527    13.998    6.2773  3.0345  12.359  3.8314  -6.081863      4.887522 
1 1 1 19  4   31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  4   32 o 20.383  2.8340  67.828    14.917    65.130    21.192    70.477    21.000    19.870  4.1172  20.896  3.8954  -1.026550      5.667936 
1 1 1 19  5   0  o 87.385  2.1399  1025.90   50.047    1073.66   70.796    978.197   70.757    89.424  2.9557  85.346  3.0953  4.078255       4.279824 
1 1 1 19  5   1  o 69.216  1.9510  643.183   36.161    625.564   51.092    660.869   51.188    68.264  2.7943  70.168  2.7236  -1.903999      3.902061 
1 1 1 19  5   2  o 80.925  2.0934  879.979   45.352    907.842   63.930    851.753   64.346    82.220  2.9030  79.631  3.0168  2.589142       4.186705 
1 1 1 19  5   3  o 65.242  1.9259  572.101   33.613    603.230   47.439    540.714   47.635    67.031  2.6422  63.453  2.8028  3.578167       3.851864 
1 1 1 19  5   4  o 97.943  2.3224  1289.89   60.918    1262.33   85.647    1318.10   86.664    96.882  3.3005  99.004  3.2681  -2.121056      4.644768 
1 1 1 19  5   5  o 74.748  2.0879  751.073   41.799    753.357   58.737    748.729   59.494    74.866  2.9291  74.631  2.9762  0.2347031      4.175868 
1 1 1 19  5   6  o 117.287 2.6745  1854.67   84.016    1857.04   118.207   1852.24   119.437   117.368 3.7601  117.207 3.8045  0.1608734      5.349090 
1 1 1 19  5   7  o 36.590  1.8642  180.834   18.123    168.882   25.373    193.282   25.894    35.341  2.7008  37.838  2.5702  -2.496456      3.728316 
1 1 1 19  5   8  o 75.057  2.1049  758.389   42.295    726.766   59.480    790.733   60.154    73.468  3.0226  76.646  2.9301  -3.177399      4.209723 
1 1 1 19  5   9  o 68.117  2.0592  624.987   37.553    600.718   52.918    649.607   53.298    66.778  2.9586  69.455  2.8650  -2.676781      4.118413 
1 1 1 19  5   10 o 55.419  1.9292  414.230   28.578    400.914   40.324    427.668   40.506    54.483  2.7723  56.354  2.6836  -1.870411      3.858410 
1 1 1 19  5   11 o 58.570  1.9697  462.699   30.888    446.961   43.660    478.469   43.704    57.565  2.8316  59.574  2.7389  -2.008038      3.939476 
1 1 1 19  5   12 o 31.052  2.6700  131.011   21.991    131.011   21.991    0.0000    0.0000    31.052  2.6700  ?       ?       ?              ?        
1 1 1 19  5   13 o 36.230  2.5037  173.604   21.509    194.614   41.604    165.939   25.128    37.511  4.2137  34.949  2.7054  2.562962       5.007462 
1 1 1 19  5   14 o 56.933  1.9832  438.639   30.241    436.403   42.810    440.867   42.726    56.786  2.8146  57.080  2.7946  -0.2939224     3.966330 
1 1 1 19  5   15 o 42.456  1.9067  244.976   21.567    243.376   30.686    246.538   30.319    42.312  2.7220  42.599  2.6707  -0.2867813     3.813422 
1 1 1 19  5   16 o 46.680  1.9354  296.400   24.090    301.249   34.067    291.550   34.071    47.069  2.7136  46.291  2.7604  0.7785187      3.870900 
1 1 1 19  5   17 f 46.458  1.9160  293.895   23.732    301.955   33.598    285.871   33.526    47.106  2.6739  45.811  2.7449  1.295288       3.832007 
1 1 1 19  5   18 o 107.501 2.5854  1589.69   74.441    1576.51   105.149   1602.94   105.403   107.045 3.6673  107.956 3.6451  -0.9107590     5.170708 
1 1 1 19  5   19 o 41.207  1.9594  232.416   21.500    232.966   30.327    231.861   30.486    41.260  2.7601  41.154  2.7820  0.1053505      3.918896 
1 1 1 19  5   20 o 25.925  2.0846  93.438    14.114    105.307   20.048    81.774    19.874    27.639  2.7444  24.211  3.1385  3.428425       4.169148 
1 1 1 19  5   21 o 46.248  1.9828  294.405   24.443    297.770   34.418    290.982   34.718    46.529  2.7743  45.968  2.8335  0.5610695      3.965592 
1 1 1 19  5   22 o 46.075  3.6343  299.307   44.487    299.307   44.487    0.0000    0.0000    46.075  3.6343  ?       ?       ?              ?        
1 1 1 19  5   23 o 37.270  2.0283  193.617   20.004    172.845   28.055    215.098   28.529    35.153  3.0086  39.387  2.7210  -4.234001      4.056518 
1 1 1 19  5   24 o 37.422  2.0254  196.262   20.115    206.466   28.320    185.872   28.577    38.464  2.7673  36.381  2.9582  2.082554       4.050794 
1 1 1 19  5   25 o 22.429  2.4088  73.118    13.997    69.208    19.828    77.002    19.760    21.762  3.5220  23.096  3.2870  -1.333298      4.817594 
1 1 1 19  5   26 f 43.659  2.0946  271.216   24.228    299.305   34.248    243.075   34.280    46.076  2.7882  41.242  3.1264  4.833527       4.189136 
1 1 1 19  5   27 o 12.329  2.7518  21.209    11.066    34.606    15.794    8.2936    15.509    15.025  3.8930  9.6328  3.8901  5.392198       5.503525 
1 1 1 19  5   28 o 12.535  2.7485  22.739    10.917    34.870    15.586    11.053    15.297    15.049  3.8507  10.022  3.9228  5.027353       5.496976 
1 1 1 19  5   29 o 14.793  2.8105  33.831    12.581    53.354    17.844    14.534    17.740    18.691  3.6953  10.896  4.2356  7.795225       5.620959 
1 1 1 19  5   30 o 16.990  4.3163  47.047    19.682    47.047    19.682    0.0000    0.0000    16.990  4.3163  ?       ?       ?              ?        
1 1 1 19  5   31 o 8.0561  2.5077  0.3043    10.480    -1.1878   15.636    1.5214    14.122    8.0573  3.5883  8.0550  3.5042  0.2246857E-02  5.015455 
1 1 1 19  6   0  o 96.586  2.2651  1253.64   58.597    1263.92   82.709    1243.28   83.029    96.986  3.1839  96.186  3.2228  0.7990952      4.530269 
1 1 1 19  6   1  o 117.131 2.5808  1845.95   80.964    1821.95   114.169   1870.24   114.834   116.363 3.6631  117.899 3.6364  -1.536118      5.161515 
1 1 1 19  6   2  o 92.407  2.2238  1147.79   55.041    1135.78   77.508    1160.01   78.175    91.919  3.1481  92.895  3.1419  -0.9761353     4.447692 
1 1 1 19  6   3  o 65.877  1.9391  583.007   34.215    585.178   48.243    580.810   48.532    66.002  2.7289  65.753  2.7556  0.2487259      3.878209 
1 1 1 19  6   4  o 73.795  2.0556  732.267   40.617    745.972   57.122    718.251   57.767    74.497  2.8627  73.092  2.9507  1.405602       4.111121 
1 1 1 19  6   5  o 131.568 2.8738  2337.27   101.264   2356.87   142.585   2317.32   143.841   132.134 4.0287  131.003 4.0993  1.131577       5.747648 
1 1 1 19  6   6  o 64.106  1.9967  552.760   34.282    551.789   48.119    553.761   48.853    64.051  2.8048  64.162  2.8427  -0.1106491     3.993471 
1 1 1 19  6   7  o 46.881  1.8884  296.610   23.569    273.569   33.027    320.522   33.646    45.009  2.7528  48.754  2.5857  -3.744991      3.776773 
1 1 1 19  6   8  o 49.220  1.8978  326.981   24.883    302.865   34.832    352.114   35.559    47.351  2.7584  51.090  2.6072  -3.738873      3.795553 
1 1 1 19  6   9  o 64.289  2.0339  557.238   35.017    566.075   49.354    548.280   49.691    64.807  2.8432  63.771  2.9092  1.036278       4.067794 
1 1 1 19  6   10 o 79.026  2.1689  843.516   45.906    829.669   64.812    857.457   65.030    78.371  3.0875  79.682  3.0470  -1.310547      4.337839 
1 1 1 19  6   11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  6   12 o 42.702  1.9135  247.272   21.771    251.757   30.830    242.811   30.748    43.094  2.6843  42.310  2.7277  0.7841415      3.827006 
1 1 1 19  6   13 o 36.369  1.9062  179.875   18.425    173.671   26.130    186.010   25.984    35.730  2.7515  37.007  2.6387  -1.277199      3.812302 
1 1 1 19  6   14 o 36.563  1.8851  181.827   18.334    179.780   25.873    183.892   25.983    36.353  2.6760  36.773  2.6559  -0.4199829     3.770211 
1 1 1 19  6   15 o 37.940  1.9048  196.030   19.213    206.285   27.272    185.924   27.072    38.945  2.6298  36.936  2.7563  2.009232       3.809576 
1 1 1 19  6   16 o 11.760  2.4710  19.026    8.5835    13.036    12.280    24.748    12.002    10.309  3.6067  13.211  3.3785  -2.902075      4.941948 
1 1 1 19  6   17 o 126.626 2.8766  2217.95   97.565    2226.10   138.010   2209.79   137.945   126.866 4.0614  126.387 4.0749  0.4789047      5.753241 
1 1 1 19  6   18 o 63.847  2.0782  556.541   35.539    561.777   50.279    551.314   50.240    64.152  2.9261  63.541  2.9519  0.6108551      4.156396 
1 1 1 19  6   19 o 62.284  2.0945  531.298   34.942    533.090   49.307    529.490   49.524    62.395  2.9503  62.173  2.9739  0.2220306      4.189074 
1 1 1 19  6   20 o 11.553  2.6570  18.017    9.4474    20.907    13.750    15.433    13.003    12.224  3.7987  10.881  3.7159  1.343122       5.313918 
1 1 1 19  6   21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  6   22 o 19.168  2.4961  53.206    12.321    49.714    17.701    56.488    17.161    18.476  3.7057  19.860  3.3451  -1.383509      4.992147 
1 1 1 19  6   23 o 11.270  2.6564  17.249    9.5690    12.377    13.538    22.113    13.528    10.181  3.7583  12.358  3.7551  -2.176522      5.312726 
1 1 1 19  6   24 o 15.523  2.6725  36.420    11.161    27.884    16.107    44.303    15.478    13.668  4.0850  17.378  3.4470  -3.710180      5.345029 
1 1 1 19  6   25 o 17.190  2.6358  44.983    11.928    58.974    16.813    30.805    16.926    20.153  3.2234  14.227  4.1712  5.925261       5.271594 
1 1 1 19  6   26 o 11.913  2.8378  20.420    10.799    23.748    15.234    17.059    15.312    12.615  4.0094  11.211  4.0172  1.403495       5.675665 
1 1 1 19  6   27 o 24.124  2.4866  86.118    15.510    76.390    21.746    96.190    22.128    22.581  3.7253  25.666  3.2948  -3.085367      4.973290 
1 1 1 19  6   28 o 26.899  2.3719  106.670   16.702    110.530   23.534    102.753   23.706    27.458  3.2638  26.340  3.4425  1.117825       4.743774 
1 1 1 19  6   29 o 21.584  4.0313  72.901    22.449    72.901    22.449    0.0000    0.0000    21.584  4.0313  ?       ?       ?              ?        
1 1 1 19  6   30 o 28.494  2.4074  123.332   17.971    130.531   25.408    116.124   25.422    29.454  3.2761  27.534  3.5282  1.919485       4.814728 
1 1 1 19  7   0  o 55.075  1.8455  407.276   27.224    409.551   38.581    405.019   38.422    55.228  2.6081  54.922  2.6118  0.3065948      3.691033 
1 1 1 19  7   1  o 160.371 3.3032  3475.07   141.886   3484.11   200.144   3465.93   201.173   160.586 4.6531  160.156 4.6896  0.4303741      6.606381 
1 1 1 19  7   2  o 90.096  2.2274  1091.82   53.750    1090.15   75.726    1093.51   76.307    90.028  3.1403  90.164  3.1596  -0.1364441     4.454787 
1 1 1 19  7   3  o 116.562 2.6031  1833.31   81.166    1930.29   114.388   1734.96   115.188   119.693 3.5680  113.431 3.7913  6.261513       5.206188 
1 1 1 19  7   4  o 92.739  2.3052  1159.17   57.209    1206.87   80.518    1110.54   81.299    94.680  3.1750  90.797  3.3429  3.882851       4.610361 
1 1 1 19  7   5  o 50.647  1.8767  345.793   25.367    339.898   35.597    351.877   36.159    50.207  2.6565  51.087  2.6517  -0.8801537     3.753433 
1 1 1 19  7   6  f 78.986  2.1613  840.480   45.723    833.490   64.184    847.682   65.150    78.654  3.0466  79.318  3.0666  -0.6637039     4.322688 
1 1 1 19  7   7  o 12.851  2.3344  23.108    8.1574    18.548    11.492    27.740    11.582    11.636  3.4443  14.067  3.1519  -2.431349      4.668824 
1 1 1 19  7   8  o 57.007  1.9574  438.419   29.812    414.917   41.790    462.772   42.540    55.408  2.8252  58.606  2.7100  -3.197922      3.914831 
1 1 1 19  7   9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  7   10 o 18.167  2.2415  45.851    10.502    48.656    15.184    43.279    14.542    18.717  3.1399  17.617  3.1997  1.100399       4.482944 
1 1 1 19  7   11 o 26.314  1.9963  94.760    13.825    89.047    19.585    100.434   19.518    25.496  2.9206  27.133  2.7223  -1.637623      3.992604 
1 1 1 19  7   12 o 64.373  2.0909  561.383   36.049    570.829   51.082    552.011   50.880    64.917  2.9378  63.828  2.9761  1.088505       4.181799 
1 1 1 19  7   13 o 35.312  1.9379  169.856   18.177    175.251   25.684    164.442   25.729    35.888  2.6915  34.737  2.7888  1.151009       3.875812 
1 1 1 19  7   14 o 42.712  1.9343  248.270   22.001    239.524   31.097    257.036   31.132    41.944  2.7838  43.480  2.6863  -1.536312      3.868554 
1 1 1 19  7   15 o 45.326  1.9447  279.819   23.488    289.903   33.294    269.827   33.141    46.154  2.7050  44.498  2.7948  1.656406       3.889434 
1 1 1 19  7   16 o 15.810  2.4285  35.388    10.105    48.218    14.726    23.972    13.892    18.572  3.0674  13.047  3.7658  5.525143       4.856958 
1 1 1 19  7   17 o 22.888  2.1629  72.578    12.831    84.198    18.687    62.212    17.650    24.690  2.8799  21.086  3.2278  3.604553       4.325756 
1 1 1 19  7   18 o 86.432  2.3702  1029.03   54.868    1041.98   77.561    1016.06   77.629    86.993  3.3287  85.871  3.3751  1.121651       4.740383 
1 1 1 19  7   19 o 19.148  2.4106  52.146    11.908    51.511    16.937    52.767    16.746    19.017  3.4522  19.279  3.3654  -0.2622852     4.821163 
1 1 1 19  7   20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  7   21 o 43.926  2.0421  267.997   23.870    254.879   33.727    281.162   33.788    42.805  2.9598  45.046  2.8144  -2.240818      4.084287 
1 1 1 19  7   22 o 32.482  2.1159  148.125   18.201    149.755   25.780    146.505   25.702    32.668  2.9790  32.296  3.0056  0.3720970      4.231802 
1 1 1 19  7   23 o 8.9084  2.5206  6.4856    9.1904    3.2393    13.611    9.2060    12.460    8.5092  3.5612  9.3076  3.5680  -0.7983456     5.041143 
1 1 1 19  7   24 o 10.109  2.6605  12.057    9.7628    8.0214    13.900    15.987    13.715    9.3406  3.7132  10.878  3.8113  -1.537581      5.321062 
1 1 1 19  7   25 o 33.864  2.1534  163.806   19.310    157.673   27.318    169.930   27.300    33.182  3.1100  34.546  2.9794  -1.364578      4.306867 
1 1 1 19  7   26 o 29.930  2.2361  129.221   17.651    132.085   25.247    126.481   24.688    30.257  3.1620  29.603  3.1626  0.6546593      4.472133 
1 1 1 19  7   27 f 18.403  2.8448  52.316    13.678    62.253    19.713    43.091    18.994    20.267  3.7702  16.539  4.2612  3.727749       5.689655 
1 1 1 19  7   28 o 32.349  4.1714  162.465   35.302    162.465   35.302    0.0000    0.0000    32.349  4.1714  ?       ?       ?              ?        
1 1 1 19  7   29 o 15.573  2.9821  39.918    13.098    29.311    18.628    50.290    18.421    13.401  4.4469  17.745  3.9744  -4.343641      5.964186 
1 1 1 19  8   0  o 51.728  1.8325  359.915   25.342    353.126   35.810    366.725   35.869    51.204  2.6198  52.252  2.5629  -1.047752      3.664919 
1 1 1 19  8   1  o 31.718  1.8344  136.648   15.344    119.851   21.746    153.306   21.655    29.734  2.7620  33.701  2.4150  -3.966600      3.668887 
1 1 1 19  8   2  f 71.907  2.0170  696.142   38.793    736.962   54.760    655.018   54.964    74.035  2.7615  69.779  2.9408  4.255714       4.034098 
1 1 1 19  8   3  o 73.099  2.0399  719.059   39.937    725.674   56.290    712.355   56.671    73.441  2.8616  72.758  2.9080  0.6825638      4.079831 
1 1 1 19  8   4  o 100.852 2.4231  1372.28   65.446    1384.31   92.054    1359.97   93.063    101.306 3.3925  100.397 3.4607  0.9092636      4.846189 
1 1 1 19  8   5  o 78.890  2.1480  838.662   45.382    819.640   63.724    858.239   64.646    77.981  3.0509  79.800  3.0245  -1.819435      4.295959 
1 1 1 19  8   6  o 99.425  2.4165  1335.76   64.302    1265.11   90.270    1408.53   91.618    96.739  3.4838  102.110 3.3498  -5.371933      4.833024 
1 1 1 19  8   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  8   8  o 106.236 2.5651  1530.82   72.987    1513.83   102.869   1548.04   103.572   105.639 3.6356  106.832 3.6195  -1.192879      5.130113 
1 1 1 19  8   9  o 68.990  2.1171  643.627   39.121    638.520   55.100    648.818   55.554    68.714  2.9938  69.265  2.9944  -0.5517349     4.234290 
1 1 1 19  8   10 o 52.814  2.0025  378.209   28.221    371.687   39.746    384.841   40.077    52.350  2.8453  53.277  2.8185  -0.9271774     4.004928 
1 1 1 19  8   11 o 51.410  1.9994  359.034   27.387    381.393   38.812    336.860   38.651    53.030  2.7418  49.789  2.9109  3.241146       3.998891 
1 1 1 19  8   12 o 15.103  2.4386  32.402    9.6690    28.456    13.823    36.181    13.529    14.174  3.6263  16.033  3.2616  -1.858541      4.877295 
1 1 1 19  8   13 o 65.386  2.1001  580.807   36.751    609.214   52.093    552.657   51.856    66.999  2.9029  63.774  3.0358  3.225147       4.200296 
1 1 1 19  8   14 o 71.580  2.1843  697.801   41.858    725.115   59.336    670.741   59.058    72.995  3.0348  70.165  3.1425  2.830421       4.368654 
1 1 1 19  8   15 o 55.348  2.0564  418.211   30.365    433.217   43.017    403.308   42.870    56.358  2.8590  54.338  2.9566  2.019539       4.112870 
1 1 1 19  8   16 o 62.186  2.0717  527.729   34.504    519.185   48.750    536.305   48.843    61.673  2.9511  62.699  2.9084  -1.025562      4.143423 
1 1 1 19  8   17 o 42.197  2.0172  244.452   22.640    258.630   32.171    230.541   31.867    43.441  2.7795  40.954  2.9243  2.486927       4.034481 
1 1 1 19  8   18 o 27.013  2.1256  101.285   15.101    107.643   21.742    95.359    20.991    27.855  2.9594  26.171  3.0518  1.684082       4.251105 
1 1 1 19  8   19 o 32.195  2.9382  143.882   25.058    0.0000    0.0000    143.882   25.058    ?       ?       32.195  2.9382  ?              ?        
1 1 1 19  8   20 o 54.062  2.0914  405.608   30.160    418.467   42.922    393.065   42.390    54.929  2.9279  53.194  2.9872  1.735054       4.182813 
1 1 1 19  8   21 o 52.070  2.1365  379.744   29.502    426.266   41.956    334.248   41.491    55.368  2.8387  48.772  3.1937  6.595226       4.272902 
1 1 1 19  8   22 o 17.391  2.6567  44.918    12.029    39.581    16.998    50.273    17.026    16.259  3.9436  18.523  3.5611  -2.264341      5.313461 
1 1 1 19  8   23 o 11.527  2.7017  18.478    9.9336    24.074    14.091    12.950    14.006    12.753  3.8229  10.300  3.8186  2.452636       5.403402 
1 1 1 19  8   24 o 18.581  2.7368  52.549    13.246    68.239    18.850    37.243    18.617    21.628  3.3631  15.533  4.3185  6.095188       5.473560 
1 1 1 19  8   25 o 16.489  2.8431  42.028    12.531    35.134    18.146    48.313    17.325    15.057  4.2910  17.920  3.7308  -2.862910      5.686104 
1 1 1 19  8   26 o 18.979  2.7987  56.854    14.177    85.388    20.184    29.070    19.917    24.212  3.1900  13.745  4.5994  10.46713       5.597331 
1 1 1 19  8   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  8   28 o 38.099  2.2809  215.404   23.000    228.945   32.398    201.644   32.659    39.463  3.0897  36.735  3.3563  2.728191       4.561887 
1 1 1 19  9   0  o 50.745  1.8393  346.645   24.945    335.709   35.242    357.626   35.312    49.905  2.6460  51.586  2.5557  -1.681198      3.678677 
1 1 1 19  9   1  o 85.953  2.1983  994.875   50.608    991.041   71.301    998.769   71.842    85.787  3.1030  86.119  3.1145  -0.3320694     4.396502 
1 1 1 19  9   2  o 71.627  2.0126  690.614   38.610    698.560   54.498    682.607   54.707    72.044  2.8242  71.211  2.8682  0.8329010      4.025274 
1 1 1 19  9   3  o 108.206 2.5193  1582.24   72.986    1627.44   102.893   1536.48   103.545   109.778 3.4993  106.633 3.6253  3.144325       5.038647 
1 1 1 19  9   4  o 105.637 4.8969  1521.53   138.555   1521.53   138.555   0.0000    0.0000    105.637 4.8969  ?       ?       ?              ?        
1 1 1 19  9   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  9   6  o 180.287 3.7464  4466.12   180.907   4413.08   255.041   4519.83   256.650   179.196 5.3136  181.377 5.2829  -2.181213      7.492893 
1 1 1 19  9   7  o 13.061  2.4998  23.895    8.9811    26.165    12.710    21.631    12.693    13.634  3.4712  12.487  3.5982  1.146625       4.999669 
1 1 1 19  9   8  o 110.661 2.6300  1665.70   77.954    1656.12   109.796   1675.44   110.696   110.342 3.7150  110.980 3.7239  -0.6375809     5.260091 
1 1 1 19  9   9  o 58.515  2.0350  463.272   31.893    461.971   44.839    464.605   45.373    58.434  2.8649  58.595  2.8910  -0.1609612     4.070049 
1 1 1 19  9   10 o 31.561  1.9717  135.852   16.487    140.761   23.350    130.971   23.283    32.144  2.7382  30.978  2.8376  1.165897       3.943310 
1 1 1 19  9   11 o 25.941  2.0785  92.496    14.152    99.065    20.022    85.938    20.006    26.899  2.8210  24.983  3.0532  1.915459       4.156949 
1 1 1 19  9   12 o 66.403  2.1145  598.994   37.603    586.168   53.052    611.941   53.305    65.681  3.0156  67.126  2.9648  -1.444542      4.228909 
1 1 1 19  9   13 o 21.391  2.2198  63.555    12.335    66.129    17.673    61.111    17.223    21.828  3.1108  20.954  3.1675  0.8736191      4.439637 
1 1 1 19  9   14 o 37.175  2.0276  189.234   19.993    203.528   28.442    175.272   28.111    38.598  2.7695  35.753  2.9621  2.845722       4.055135 
1 1 1 19  9   15 o 59.265  2.0771  479.998   32.905    494.935   46.680    465.247   46.389    60.234  2.8933  58.296  2.9809  1.938328       4.154177 
1 1 1 19  9   16 o 71.226  2.2303  696.550   42.545    709.873   60.247    683.297   60.089    71.920  3.1275  70.532  3.1807  1.388329       4.460699 
1 1 1 19  9   17 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  9   18 o 8.5252  2.4216  4.3695    8.7422    9.7862    11.936    -1.8990   12.840    9.4324  3.5196  7.6179  3.3271  1.814502       4.843233 
1 1 1 19  9   19 o 62.382  2.1590  539.741   36.075    542.296   50.992    537.181   51.043    62.536  3.0443  62.228  3.0624  0.3083420      4.318076 
1 1 1 19  9   20 f 33.972  2.1706  162.111   19.534    161.479   27.856    162.723   27.400    33.889  3.1033  34.055  3.0357  -0.1656990     4.341167 
1 1 1 19  9   21 o 47.939  2.1353  323.301   27.135    362.783   38.718    285.190   38.040    50.952  2.8484  44.926  3.1818  6.026020       4.270527 
1 1 1 19  9   22 o 29.431  2.2042  123.256   17.068    134.076   24.507    113.063   23.786    30.751  3.0141  28.110  3.2170  2.641235       4.408377 
1 1 1 19  9   23 o 15.585  2.9033  37.174    12.311    34.445    17.818    39.667    17.030    14.999  4.2442  16.170  3.9628  -1.171117      5.806666 
1 1 1 19  9   24 o 21.772  2.6561  70.633    14.914    75.316    21.184    66.030    21.001    22.575  3.6261  20.970  3.8820  1.605194       5.312109 
1 1 1 19  9   25 o 40.236  2.2170  232.805   23.677    246.867   33.804    219.262   33.173    41.497  3.0630  38.976  3.2060  2.521046       4.434056 
1 1 1 19  9   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  9   27 o 35.786  2.3191  189.963   21.981    190.683   31.221    189.255   30.951    35.844  3.2886  35.727  3.2707  0.1165199      4.638108 
1 1 1 19  10  0  o 61.094  1.9219  502.250   31.450    499.695   44.420    504.818   44.534    60.938  2.7215  61.250  2.7145  -0.3122787     3.843834 
1 1 1 19  10  1  o 86.413  4.3660  1015.80   100.727   1015.80   100.727   0.0000    0.0000    86.413  4.3660  ?       ?       ?              ?        
1 1 1 19  10  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  10  3  o 103.421 3.1372  1479.69   80.634    1394.98   140.767   1521.05   98.372    100.796 5.2320  106.046 3.4633  -5.249969      6.274373 
1 1 1 19  10  4  o 104.849 2.4834  1488.83   69.738    1497.01   98.127    1480.49   99.129    105.149 3.4841  104.549 3.5399  0.6004028      4.966890 
1 1 1 19  10  5  o 67.829  2.0636  621.555   37.479    632.354   52.665    610.473   53.348    68.435  2.8731  67.223  2.9628  1.211823       4.127136 
1 1 1 19  10  6  o 50.541  1.9636  346.182   26.463    356.788   37.203    335.319   37.649    51.339  2.7151  49.742  2.8376  1.597725       3.927298 
1 1 1 19  10  7  o 127.712 2.8789  2227.30   98.474    2229.32   138.653   2225.24   139.882   127.783 4.0511  127.641 4.0915  0.1416702      5.757719 
1 1 1 19  10  8  o 59.217  2.0294  475.124   32.119    455.417   45.147    495.320   45.704    57.927  2.9192  60.507  2.8201  -2.580196      4.058861 
1 1 1 19  10  9  o 20.388  2.2134  57.740    11.650    51.106    16.323    64.627    16.631    19.130  3.3053  21.646  2.9449  -2.516663      4.426893 
1 1 1 19  10  10 o 26.697  2.0463  97.895    14.357    90.489    20.332    105.260   20.277    25.651  3.0169  27.744  2.7655  -2.093353      4.092643 
1 1 1 19  10  11 o 5.9864  1.9148  -5.1093   6.5686    -5.8196   9.0745    -4.3276   9.5203    5.7919  2.6415  6.1810  2.7728  -0.3890743     3.829574 
1 1 1 19  10  12 o 24.527  2.1596  83.141    13.874    85.518    19.572    80.742    19.669    24.899  2.9947  24.156  3.1124  0.7437038      4.319191 
1 1 1 19  10  13 o 51.859  2.0602  367.427   28.496    376.754   40.354    358.150   40.245    52.529  2.8790  51.188  2.9478  1.341007       4.120470 
1 1 1 19  10  14 o 28.792  2.1392  114.570   16.222    107.492   22.915    121.682   22.968    27.862  3.1243  29.722  2.9229  -1.859856      4.278373 
1 1 1 19  10  15 o 65.052  2.1722  580.488   37.845    589.810   53.587    571.213   53.456    65.584  3.0505  64.521  3.0932  1.063438       4.344359 
1 1 1 19  10  16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  10  17 o 29.071  2.1902  117.946   16.767    110.371   23.457    125.859   23.976    28.078  3.1748  30.065  3.0181  -1.986473      4.380416 
1 1 1 19  10  18 o 19.340  2.6481  55.049    13.156    37.534    18.428    73.257    18.788    15.916  4.2447  22.763  3.1674  -6.846990      5.296183 
1 1 1 19  10  19 o 45.064  2.1112  283.679   25.338    285.631   35.997    281.763   35.673    45.216  2.9891  44.912  2.9824  0.3040886      4.222489 
1 1 1 19  10  20 o 47.151  2.1347  312.156   26.813    319.873   38.235    304.690   37.610    47.736  3.0058  46.566  3.0319  1.169395       4.269331 
1 1 1 19  10  21 o 38.139  2.1805  206.134   22.030    222.095   31.250    190.366   31.062    39.696  2.9604  36.582  3.2023  3.113968       4.361068 
1 1 1 19  10  22 o 18.594  2.7529  52.182    13.256    47.113    19.238    56.765    18.292    17.583  4.1514  19.605  3.6167  -2.022047      5.505858 
1 1 1 19  10  23 o 13.214  2.9552  26.138    11.706    25.986    17.060    26.273    16.092    13.195  4.2483  13.233  4.1090  -0.3827667E-01 5.910303 
1 1 1 19  10  24 o 16.368  2.9666  41.713    13.430    54.328    19.074    29.308    18.914    18.911  3.8953  13.824  4.4755  5.086591       5.933220 
1 1 1 19  10  25 o 35.549  3.3217  184.997   31.262    0.0000    0.0000    184.997   31.262    ?       ?       35.549  3.3217  ?              ?        
1 1 1 19  10  26 o 18.884  2.9317  56.889    14.448    50.232    20.347    63.659    20.519    17.593  4.3439  20.176  3.9383  -2.582901      5.863415 
1 1 1 19  11  0  f 110.334 2.5271  1646.58   74.673    1608.88   105.095   1685.03   106.119   109.051 3.5980  111.617 3.5495  -2.565826      5.054214 
1 1 1 19  11  1  o 63.926  1.9852  550.928   33.984    535.578   47.887    566.503   48.237    63.024  2.8367  64.827  2.7780  -1.803001      3.970425 
1 1 1 19  11  2  o 58.596  1.9174  462.928   30.092    467.441   42.526    458.401   42.589    58.884  2.6963  58.307  2.7270  0.5766144      3.834883 
1 1 1 19  11  3  o 47.117  1.8941  300.806   23.728    329.434   33.692    272.630   33.424    49.373  2.5564  44.861  2.7955  4.511841       3.788171 
1 1 1 19  11  4  o 70.343  2.0863  669.032   39.297    682.298   55.313    655.513   55.838    71.057  2.9062  69.629  2.9940  1.427818       4.172554 
1 1 1 19  11  5  o 37.370  1.9251  189.854   19.097    202.833   26.969    176.800   27.046    38.678  2.6186  36.061  2.8227  2.616573       3.850280 
1 1 1 19  11  6  o 72.366  2.1244  709.131   41.174    704.521   57.796    713.882   58.672    72.131  2.9915  72.602  3.0171  -0.4707642     4.248792 
1 1 1 19  11  7  o 31.983  1.9596  139.531   16.575    127.721   23.325    151.577   23.557    30.583  2.8814  33.384  2.6565  -2.800993      3.919121 
1 1 1 19  11  8  o 76.905  2.2211  803.155   45.750    798.871   64.428    807.513   64.977    76.700  3.1361  77.110  3.1460  -0.4103775     4.442146 
1 1 1 19  11  9  o 59.889  2.0583  487.150   32.921    456.905   46.158    518.463   46.965    57.940  2.9844  61.839  2.8355  -3.898563      4.116659 
1 1 1 19  11  10 o 21.372  2.2631  63.494    12.550    60.700    17.570    66.404    17.931    20.871  3.2486  21.873  3.1517  -1.001085      4.526206 
1 1 1 19  11  11 o 25.849  2.1442  92.474    14.467    103.209   20.482    81.786    20.438    27.419  2.8296  24.280  3.2223  3.138920       4.288344 
1 1 1 19  11  12 o 53.177  2.0798  386.723   29.498    395.030   41.506    378.245   41.929    53.774  2.8923  52.580  2.9895  1.193398       4.159667 
1 1 1 19  11  13 o 10.227  2.5080  11.025    9.1349    21.545    13.047    0.9087    12.794    12.386  3.6708  8.0675  3.4185  4.318575       5.016087 
1 1 1 19  11  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  11  15 o 15.875  2.7266  36.452    11.868    51.034    17.048    22.737    16.533    18.908  3.4949  12.841  4.1860  6.066701       5.453173 
1 1 1 19  11  16 o 11.438  2.7279  17.497    9.9074    16.787    13.878    18.236    14.148    11.263  3.8390  11.613  3.8765  -0.3500328     5.455763 
1 1 1 19  11  17 o 6.7949  2.1429  -6.0458   8.2602    1.5753    11.570    -13.9680  11.796    7.7436  3.2644  5.8461  2.7771  1.897472       4.285865 
1 1 1 19  11  18 o 25.313  2.3294  91.281    15.340    101.191   21.846    81.644    21.544    26.769  3.1045  23.856  3.4736  2.912971       4.658729 
1 1 1 19  11  19 f 58.085  2.2104  474.673   34.250    490.932   48.630    458.670   48.246    59.114  3.0820  57.057  3.1694  2.056446       4.420834 
1 1 1 19  11  20 o 14.416  2.8717  31.360    11.820    38.639    16.349    23.389    17.108    16.069  3.8491  12.762  4.2627  3.306725       5.743406 
1 1 1 19  11  21 o 22.398  2.6404  74.482    14.930    52.422    20.658    98.605    21.602    18.540  4.2507  26.257  3.1334  -7.716879      5.280791 
1 1 1 19  11  22 f 14.581  2.9194  31.826    12.585    45.729    17.984    18.482    17.619    17.377  3.9530  11.786  4.2972  5.590747       5.838855 
1 1 1 19  11  23 o 8.9267  3.7562  3.9472    15.274    3.9472    15.274    0.0000    0.0000    8.9267  3.7562  ?       ?       ?              ?        
1 1 1 19  11  24 o 20.356  2.9233  64.102    15.374    69.401    22.534    59.488    21.028    21.167  4.1228  19.545  4.1453  1.622374       5.846510 
1 1 1 19  11  25 o 7.9437  2.3242  -5.5828   9.5687    -24.1864  13.168    15.230    13.928    5.3879  2.6458  10.500  3.8219  -5.111607      4.648311 
1 1 1 19  12  0  o 41.395  1.8556  232.012   20.447    244.287   28.962    219.814   28.871    42.503  2.5559  40.288  2.6909  2.215004       3.711292 
1 1 1 19  12  1  o 27.960  1.9646  107.302   14.326    89.217    20.259    125.390   20.261    25.520  3.0225  30.401  2.5106  -4.880739      3.929254 
1 1 1 19  12  2  o 70.161  2.0390  665.154   38.317    666.626   54.052    663.668   54.326    70.242  2.8729  70.081  2.8941  0.1605682      4.077969 
1 1 1 19  12  3  o 77.775  2.1475  818.560   44.728    797.023   62.922    840.560   63.593    76.734  3.0614  78.815  3.0124  -2.081238      4.294977 
1 1 1 19  12  4  o 37.707  1.9009  193.030   19.069    197.423   27.066    188.700   26.871    38.139  2.6663  37.274  2.7100  0.8644943      3.801754 
1 1 1 19  12  5  o 90.532  2.3297  1112.98   56.488    1106.63   79.360    1119.49   80.423    90.275  3.2820  90.789  3.3072  -0.5135422     4.659314 
1 1 1 19  12  6  o 23.839  2.1005  78.214    13.114    80.229    18.444    76.155    18.649    24.168  2.9076  23.511  3.0321  0.6567230      4.200962 
1 1 1 19  12  7  o 57.170  2.0278  443.619   30.997    446.113   43.653    441.084   44.021    57.374  2.8406  56.966  2.8946  0.4076042      4.055563 
1 1 1 19  12  8  o 44.008  2.0060  263.921   23.498    251.739   33.258    276.063   33.205    42.971  2.9067  45.045  2.7655  -2.073627      4.012082 
1 1 1 19  12  9  o 76.570  2.2602  799.228   46.353    796.249   65.263    802.260   65.847    76.430  3.1880  76.710  3.2047  -0.2808990     4.520329 
1 1 1 19  12  10 o 19.522  2.4141  54.025    12.048    42.662    16.948    65.632    17.129    17.295  3.7654  21.750  3.0220  -4.454950      4.828141 
1 1 1 19  12  11 o 20.667  2.3471  59.909    12.547    62.341    17.861    57.540    17.630    21.104  3.2652  20.230  3.3725  0.8744450      4.694139 
1 1 1 19  12  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  12  13 o 22.183  2.3831  69.367    13.697    73.332    19.390    65.418    19.350    22.863  3.2585  21.504  3.4783  1.359377       4.766147 
1 1 1 19  12  14 o 22.270  2.4798  70.344    14.294    74.037    20.473    66.832    19.965    22.871  3.4492  21.669  3.5639  1.202574       4.959636 
1 1 1 19  12  15 o 5.1488  1.7609  -16.6637  7.4305    -19.1445  10.761    -14.4029  10.273    5.0396  2.4570  5.2581  2.5232  -0.2184834     3.521836 
1 1 1 19  12  16 o 8.8103  2.2759  2.3128    8.6380    19.463    12.257    -14.6109  12.176    11.705  3.5781  5.9160  2.8136  5.788518       4.551816 
1 1 1 19  12  17 o 13.692  2.7202  27.554    11.006    15.355    15.985    38.552    15.178    11.161  4.0895  16.223  3.5881  -5.061980      5.440440 
1 1 1 19  12  18 o 32.296  2.2138  147.553   18.891    140.152   26.595    155.089   26.839    31.433  3.2036  33.160  3.0561  -1.727274      4.427545 
1 1 1 19  12  19 o 15.860  2.9592  38.057    12.751    36.596    17.761    39.611    18.318    15.553  4.1757  16.168  4.1942  -0.6150465     5.918425 
1 1 1 19  12  20 o 23.076  2.6856  79.782    15.593    56.239    21.927    103.868   22.179    19.178  4.3665  26.973  3.1279  -7.795212      5.371191 
1 1 1 19  12  21 o 10.283  2.7887  11.756    10.849    14.987    15.238    8.4340    15.450    10.852  3.9903  9.7140  3.8969  1.137832       5.577476 
1 1 1 19  12  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  12  23 o 28.953  2.5426  124.637   19.245    134.508   27.496    115.158   26.945    30.188  3.4631  27.717  3.7236  2.471443       5.085132 
1 1 1 19  12  24 o 33.255  2.4358  165.325   21.358    158.934   30.319    171.621   30.092    32.519  3.5380  33.990  3.3488  -1.470375      4.871516 
1 1 1 19  13  0  o 96.527  2.3798  1263.40   61.527    1263.32   86.668    1263.48   87.362    96.529  3.3521  96.525  3.3790  0.3280640E-02  4.759652 
1 1 1 19  13  1  f 18.013  2.3853  45.523    11.010    33.097    15.195    59.260    15.976    15.298  3.7398  20.728  2.9619  -5.429987      4.770603 
1 1 1 19  13  2  o 50.809  1.9226  350.061   26.009    384.148   36.869    316.292   36.697    53.341  2.5805  48.277  2.8506  5.064163       3.845120 
1 1 1 19  13  3  o 73.262  2.1156  727.387   41.492    751.473   58.532    703.058   58.827    74.498  2.9333  72.026  3.0493  2.471497       4.231128 
1 1 1 19  13  4  o 21.514  2.1821  64.017    12.213    63.112    17.294    64.916    17.250    21.353  3.1155  21.675  3.0561  -0.3214569     4.364225 
1 1 1 19  13  5  o 52.995  1.9736  381.275   27.907    367.873   39.135    395.141   39.806    52.038  2.8182  53.952  2.7638  -1.913799      3.947284 
1 1 1 19  13  6  o 51.750  2.0076  364.269   27.714    367.845   38.918    360.590   39.475    52.018  2.8036  51.481  2.8742  0.5364723      4.015122 
1 1 1 19  13  7  o 29.765  2.0525  121.427   16.155    121.788   22.897    121.069   22.796    29.809  2.9047  29.721  2.9006  0.8795738E-01  4.104955 
1 1 1 19  13  8  o 24.697  2.1977  84.254    14.196    78.782    19.702    90.162    20.473    23.838  3.1639  25.556  3.0512  -1.718046      4.395492 
1 1 1 19  13  9  o 42.033  2.0375  241.679   22.800    240.175   32.042    243.221   32.448    41.903  2.8722  42.163  2.8907  -0.2603493     4.075016 
1 1 1 19  13  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  13  11 o 19.785  3.3366  62.358    16.015    42.708    32.291    68.768    18.443    17.406  5.8562  22.165  3.1992  -4.758707      6.673107 
1 1 1 19  13  12 o 52.696  2.1360  382.503   29.998    362.107   41.967    403.812   42.895    51.230  3.0725  54.161  2.9682  -2.931099      4.272057 
1 1 1 19  13  13 o 28.964  2.2520  117.442   17.137    124.767   24.082    109.928   24.391    29.941  3.0453  27.987  3.3184  1.954268       4.503973 
1 1 1 19  13  14 o 41.868  2.1259  243.525   23.657    229.917   33.240    257.492   33.675    40.642  3.0763  43.093  2.9350  -2.451450      4.251777 
1 1 1 19  13  15 o 32.168  2.2153  145.144   18.818    135.452   26.207    155.460   27.038    31.020  3.2001  33.317  3.0642  -2.296476      4.430535 
1 1 1 19  13  16 o 16.778  2.8952  41.867    12.924    47.288    18.691    36.900    17.890    17.846  4.0082  15.710  4.1788  2.135805       5.790327 
1 1 1 19  13  17 o 26.405  2.4532  100.338   16.890    106.260   23.769    94.297    24.006    27.277  3.3220  25.534  3.6107  1.742407       4.906413 
1 1 1 19  13  18 o 25.424  2.5310  93.479    16.566    111.584   24.118    77.307    22.794    27.932  3.2865  22.916  3.8501  5.015581       5.062055 
1 1 1 19  13  19 o 14.569  3.0830  32.086    12.962    33.443    18.687    30.829    17.995    14.837  4.3922  14.300  4.3277  0.5372572      6.166070 
1 1 1 19  13  20 o 22.253  2.8013  74.638    15.987    64.931    22.999    83.715    22.240    20.608  4.3054  23.897  3.5850  -3.289278      5.602567 
1 1 1 19  13  21 o 15.298  4.3564  36.473    18.710    0.0000    0.0000    36.473    18.710    ?       ?       15.298  4.3564  ?              ?        
1 1 1 19  13  22 o 29.675  2.4995  130.660   19.439    137.907   27.461    123.381   27.521    30.606  3.4076  28.743  3.6576  1.862856       4.998962 
1 1 1 19  14  0  o 18.331  2.3686  48.120    11.043    60.902    15.392    34.562    15.853    21.043  2.8004  15.619  3.8208  5.424455       4.737197 
1 1 1 19  14  1  o 20.858  2.3096  60.664    12.426    65.892    17.374    55.188    17.780    21.846  3.0526  19.870  3.4668  1.976200       4.619179 
1 1 1 19  14  2  o 69.548  2.0849  656.145   38.782    695.546   54.790    616.582   54.902    71.669  2.8542  67.428  3.0399  4.240555       4.169837 
1 1 1 19  14  3  o 28.185  2.0601  109.224   15.227    96.703    21.595    121.607   21.475    26.515  3.0991  29.855  2.7152  -3.340462      4.120291 
1 1 1 19  14  4  o 47.427  1.9733  305.932   24.946    317.103   35.369    294.875   35.188    48.304  2.7451  46.551  2.8356  1.752209       3.946676 
1 1 1 19  14  5  o 7.6950  2.2936  0.8208    8.1193    3.0588    11.434    -1.4556   11.531    8.0567  3.3076  7.3334  3.1783  0.7232351      4.587162 
1 1 1 19  14  6  f 42.134  2.0244  242.993   22.622    265.147   31.883    220.532   32.103    44.123  2.7109  40.145  3.0074  3.977779       4.048888 
1 1 1 19  14  7  o 38.115  2.0323  198.959   20.566    210.404   29.095    187.530   29.075    39.242  2.7862  36.988  2.9595  2.253342       4.064672 
1 1 1 19  14  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  14  9  o 30.353  2.1996  127.807   17.531    113.755   24.739    141.980   24.846    28.600  3.2894  32.106  2.9212  -3.506641      4.399228 
1 1 1 19  14  10 o 31.652  2.1786  138.791   18.229    143.364   25.852    134.268   25.707    32.190  3.0342  31.113  3.1271  1.077391       4.357184 
1 1 1 19  14  11 o 45.803  2.1194  289.629   25.854    288.549   36.220    290.750   36.917    45.726  2.9734  45.879  3.0211  -0.1529236     4.238875 
1 1 1 19  14  12 o 26.677  2.2624  99.785    15.811    92.587    22.106    107.324   22.624    25.644  3.2946  27.710  3.1015  -2.065392      4.524745 
1 1 1 19  14  13 o 19.269  2.7238  54.495    13.557    69.268    19.368    40.304    18.983    22.050  3.3878  16.488  4.2659  5.562195       5.447510 
1 1 1 19  14  14 o 34.966  2.2469  171.941   20.778    183.074   29.485    160.958   29.285    36.152  3.0741  33.781  3.2778  2.370251       4.493812 
1 1 1 19  14  15 o 37.384  2.2074  196.725   21.879    206.090   30.947    187.368   30.935    38.326  3.0396  36.443  3.2017  1.882633       4.414745 
1 1 1 19  14  16 o 14.095  2.9276  29.531    11.887    24.731    16.962    34.164    16.665    13.079  4.2386  15.112  4.0395  -2.032452      5.855180 
1 1 1 19  14  17 o 51.128  2.2698  370.136   30.851    340.684   43.441    400.104   43.820    48.963  3.3322  53.294  3.0829  -4.331493      4.539633 
1 1 1 19  14  18 o 7.8832  2.4373  -5.1813   10.345    -16.3408  14.460    6.5177    14.806    6.4625  3.0713  9.3038  3.7852  -2.841308      4.874517 
1 1 1 19  14  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  14  20 o 8.8541  2.6732  2.4913    11.144    3.6029    16.742    1.6069    14.933    9.1991  3.9050  8.5090  3.6518  0.6900606      5.346498 
1 1 1 19  14  21 o 12.424  3.1040  22.792    12.905    21.008    18.891    24.353    17.670    12.153  4.4468  12.696  4.3318  -0.5438089     6.207946 
1 1 1 19  15  0  o 33.689  1.9652  154.718   17.560    147.378   24.793    162.107   24.873    32.868  2.8442  34.510  2.7128  -1.641895      3.930442 
1 1 1 19  15  1  o 34.305  1.9898  160.650   18.043    143.228   25.293    178.705   25.748    32.366  2.9499  36.243  2.6711  -3.876678      3.979563 
1 1 1 19  15  2  o 10.513  2.5149  12.712    8.9936    3.9505    12.661    21.638    12.778    8.5723  3.4954  12.453  3.6167  -3.880697      5.029731 
1 1 1 19  15  3  o 32.857  2.0293  147.599   17.677    150.237   25.270    145.072   24.736    33.145  2.8749  32.568  2.8647  0.5763702      4.058531 
1 1 1 19  15  4  o 76.733  2.2141  802.537   45.493    778.526   64.125    826.866   64.550    75.561  3.1684  77.904  3.0935  -2.343010      4.428119 
1 1 1 19  15  5  o 30.001  3.0085  123.838   23.850    123.838   23.850    0.0000    0.0000    30.001  3.0085  ?       ?       ?              ?        
1 1 1 19  15  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  15  7  o 47.600  2.0464  310.409   25.953    296.857   36.390    324.439   37.025    46.524  2.9353  48.676  2.8522  -2.152279      4.092808 
1 1 1 19  15  8  o 20.039  2.6081  58.772    13.274    77.105    18.606    39.766    18.944    23.539  3.0207  16.539  4.2526  6.999548       5.216262 
1 1 1 19  15  9  o 15.225  2.7871  33.312    11.710    23.643    16.245    43.770    16.895    13.023  4.1405  17.427  3.7321  -4.403986      5.574249 
1 1 1 19  15  10 o 65.322  2.2238  589.446   38.908    583.750   54.844    595.217   55.206    65.001  3.1500  65.643  3.1399  -0.6418533     4.447639 
1 1 1 19  15  11 o 22.895  2.4793  74.690    14.716    74.359    20.578    75.036    21.054    22.855  3.4706  22.934  3.5416  -0.7879829E-01 4.958605 
1 1 1 19  15  12 o 9.3828  2.5803  7.7312    9.5902    13.157    13.160    1.5863    14.005    10.336  3.7220  8.4300  3.5746  1.905595       5.160574 
1 1 1 19  15  13 o 18.493  2.7768  50.661    13.314    54.528    18.310    46.324    19.393    19.356  3.6660  17.631  4.1717  1.725376       5.553590 
1 1 1 19  15  14 o 22.867  2.6173  75.815    15.421    66.591    21.370    85.838    22.275    21.301  3.8888  24.433  3.5040  -3.132215      5.234614 
1 1 1 19  15  15 o 19.078  2.8802  54.305    14.268    55.103    20.415    53.543    19.948    19.209  4.0931  18.947  4.0533  0.2628345      5.760451 
1 1 1 19  15  16 f 26.414  2.5110  101.095   17.180    88.437    24.208    113.939   24.386    24.585  3.7987  28.243  3.2850  -3.657883      5.022090 
1 1 1 19  15  17 o 12.492  4.3512  21.835    17.863    21.835    17.863    0.0000    0.0000    12.492  4.3512  ?       ?       ?              ?        
1 1 1 19  15  18 f 14.698  4.4880  33.213    19.289    0.0000    0.0000    33.213    19.289    ?       ?       14.698  4.4880  ?              ?        
1 1 1 19  15  19 o 17.429  3.1150  47.838    14.577    51.377    20.487    44.209    20.744    18.152  4.2830  16.706  4.5244  1.445776       6.230077 
1 1 1 19  15  20 o 14.219  2.5070  24.031    13.043    65.104    18.973    -12.7794  17.961    20.812  3.5297  7.6262  3.5611  13.18552       5.014002 
1 1 1 19  16  0  o 46.817  1.9557  298.221   24.411    304.201   34.511    292.234   34.533    47.296  2.7359  46.338  2.7954  0.9582863      3.911481 
1 1 1 19  16  1  o 37.017  1.9928  187.090   19.591    177.398   27.572    196.975   27.843    36.027  2.8813  38.007  2.7537  -1.979549      3.985605 
1 1 1 19  16  2  o 50.392  3.7170  350.505   49.815    350.505   49.815    0.0000    0.0000    50.392  3.7170  ?       ?       ?              ?        
1 1 1 19  16  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  16  4  o 13.799  2.7222  26.784    10.621    34.078    15.309    20.014    14.749    15.422  3.7437  12.176  3.9530  3.246215       5.444396 
1 1 1 19  16  5  o 33.700  2.1620  158.387   18.885    192.743   26.730    124.144   26.686    37.532  2.6764  29.868  3.3961  7.663750       4.323951 
1 1 1 19  16  6  o 33.183  2.1327  152.107   18.738    154.064   26.195    150.055   26.817    33.423  2.9565  32.944  3.0746  0.4794083      4.265490 
1 1 1 19  16  7  o 33.935  2.1472  159.284   19.305    155.378   26.926    163.416   27.692    33.505  3.0333  34.364  3.0399  -0.8594894     4.294410 
1 1 1 19  16  8  o 43.587  2.1065  262.513   24.445    261.157   34.421    263.894   34.722    43.475  2.9738  43.699  2.9843  -0.2234879     4.213011 
1 1 1 19  16  9  o 12.688  2.5548  19.164    10.982    42.013    15.913    -1.6159   15.175    17.046  3.5982  8.3290  3.6279  8.717529       5.109645 
1 1 1 19  16  10 o 38.686  2.1685  208.548   22.264    196.717   31.118    220.955   31.866    37.528  3.1242  39.844  3.0080  -2.316502      4.336945 
1 1 1 19  16  11 o 24.769  2.4841  87.771    16.007    89.427    22.390    86.040    22.892    25.049  3.4270  24.490  3.5971  0.5593433      4.968248 
1 1 1 19  16  12 o 26.030  2.5376  98.591    16.838    117.271   23.529    78.982    24.107    28.850  3.0932  23.210  4.0235  5.639421       5.075119 
1 1 1 19  16  13 o 25.154  2.5180  91.011    16.336    76.772    22.592    106.615   23.650    22.938  3.8109  27.370  3.2921  -4.432142      5.035974 
1 1 1 19  16  14 o 21.841  2.6971  69.982    15.196    72.311    21.384    67.605    21.599    22.262  3.7173  21.420  3.9087  0.8416748      5.394131 
1 1 1 19  16  15 o 9.0257  2.6742  3.1138    11.038    -2.0471   15.769    8.0718    15.456    8.3341  3.6622  9.7173  3.8978  -1.383191      5.348301 
1 1 1 19  16  16 o 20.176  5.2087  65.045    28.341    0.0000    0.0000    65.045    28.341    ?       ?       20.176  5.2087  ?              ?        
1 1 1 19  16  17 o 28.729  2.5417  120.930   19.126    122.433   26.897    119.393   27.201    28.945  3.5432  28.513  3.6452  0.4329662      5.083470 
1 1 1 19  16  18 o 31.549  2.5001  146.713   20.692    159.536   29.465    134.235   29.066    33.045  3.3765  30.054  3.6881  2.991291       5.000280 
1 1 1 19  17  0  o 26.812  3.1117  99.315    21.931    0.0000    0.0000    99.315    21.931    ?       ?       26.812  3.1117  ?              ?        
1 1 1 19  17  1  o 69.953  2.1340  667.724   39.982    672.530   56.438    662.882   56.650    70.213  3.0010  69.693  3.0347  0.5198593      4.267941 
1 1 1 19  17  2  o 59.051  2.0831  477.834   32.731    528.473   46.329    427.372   46.248    62.287  2.7769  55.815  3.1058  6.472023       4.166221 
1 1 1 19  17  3  o 14.382  2.7402  29.180    11.050    20.407    15.216    38.968    16.072    12.287  4.0164  16.477  3.7288  -4.189764      5.480474 
1 1 1 19  17  4  o 27.259  2.2290  103.198   15.960    108.984   22.948    97.778    22.210    28.020  3.1102  26.498  3.1937  1.522055       4.457952 
1 1 1 19  17  5  o 20.560  2.5929  60.303    13.749    63.657    19.604    57.056    19.287    21.161  3.5869  19.960  3.7452  1.201485       5.185799 
1 1 1 19  17  6  o 9.7859  2.3527  4.6425    9.5163    25.660    13.479    -16.2477  13.438    13.352  3.6599  6.2198  2.9574  7.132223       4.705389 
1 1 1 19  17  7  o 34.928  2.1634  170.051   19.969    182.934   28.088    156.884   28.396    36.339  2.9102  33.517  3.2020  2.821743       4.326885 
1 1 1 19  17  8  o 29.898  2.2610  125.230   17.807    118.518   24.664    132.538   25.735    29.043  3.2250  30.753  3.1697  -1.710596      4.521924 
1 1 1 19  17  9  o 38.571  2.1695  208.022   22.194    219.211   31.281    196.680   31.494    39.674  2.9650  37.468  3.1679  2.206558       4.339015 
1 1 1 19  17  10 o 14.944  3.0121  33.155    12.688    29.856    18.104    36.341    17.787    14.259  4.3465  15.629  4.1712  -1.369722      6.024248 
1 1 1 19  17  11 f 37.531  2.2671  198.828   22.499    214.938   31.781    182.640   31.857    39.152  3.0547  35.910  3.3508  3.242466       4.534245 
1 1 1 19  17  12 o 19.896  2.9369  59.051    15.144    56.441    21.583    61.582    21.254    19.400  4.2694  20.392  4.0343  -0.9916668     5.873896 
1 1 1 19  17  13 o 23.533  2.6943  81.123    16.364    87.009    23.057    75.150    23.228    24.503  3.6224  22.564  3.9894  1.939266       5.388593 
1 1 1 19  17  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  17  15 o 12.148  3.0693  20.001    12.803    14.766    18.539    24.774    17.702    11.282  4.3454  13.013  4.3358  -1.731494      6.138570 
1 1 1 19  17  16 o 15.345  2.6416  32.382    13.781    70.059    19.672    -3.9268   19.311    21.804  3.4857  8.8861  3.9703  12.91824       5.283282 
1 1 1 19  18  0  o 31.494  2.1103  136.807   17.575    132.071   24.978    141.452   24.735    30.928  3.0551  32.060  2.9122  -1.131933      4.220696 
1 1 1 19  18  1  o 27.534  2.2992  106.388   16.431    119.725   22.869    92.156    23.624    29.448  2.9385  25.619  3.5370  3.829563       4.598413 
1 1 1 19  18  2  f 17.819  2.6773  45.761    12.370    47.275    17.051    44.079    17.974    18.177  3.6294  17.462  3.9368  0.7143288      5.354552 
1 1 1 19  18  3  o 18.153  2.6253  47.364    12.334    50.134    17.621    44.703    17.269    18.703  3.6486  17.604  3.7757  1.098557       5.250557 
1 1 1 19  18  4  o 27.947  2.2476  109.016   16.515    113.898   23.747    104.443   22.984    28.567  3.1562  27.327  3.2008  1.240227       4.495166 
1 1 1 19  18  5  o 11.144  2.7899  15.523    10.501    18.905    14.783    12.079    14.918    11.829  3.9625  10.459  3.9284  1.369407       5.579821 
1 1 1 19  18  6  o 8.5351  2.4992  3.3221    9.2472    1.8131    12.179    5.3762    14.209    7.9722  3.3544  9.0980  3.7056  -1.125780      4.998327 
1 1 1 19  18  7  o 24.784  2.4643  87.785    15.812    78.049    22.347    97.546    22.375    23.286  3.7072  26.281  3.2476  -2.995659      4.928540 
1 1 1 19  18  8  o 14.966  2.9896  32.814    12.684    25.474    17.538    40.863    18.365    13.350  4.3083  16.582  4.1460  -3.231833      5.979220 
1 1 1 19  18  9  o 9.4526  2.7162  6.1982    10.731    4.3650    14.466    8.4412    16.002    8.9533  3.7027  9.9519  3.9752  -0.9985914     5.432486 
1 1 1 19  18  10 o 12.625  2.9544  21.987    11.913    14.921    16.773    29.180    16.922    11.190  4.1728  14.060  4.1836  -2.870770      5.908878 
1 1 1 19  18  11 o 31.944  2.3870  145.350   20.103    148.004   28.195    142.605   28.672    32.281  3.3076  31.608  3.4423  0.6732998      4.773902 
1 1 1 19  18  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  18  13 o 8.4260  2.5932  -0.8946   11.042    2.8895    15.075    -5.2753   16.220    8.8018  3.7192  8.0501  3.6147  0.7517090      5.186331 
1 1 1 19  18  14 o 14.626  3.1203  31.931    14.076    17.402    19.761    46.899    20.057    11.833  4.5036  17.418  4.3200  -5.585185      6.240577 
1 1 1 19  18  15 o 8.4229  2.5342  -5.9675   11.128    -22.4149  15.059    13.817    16.517    6.1259  2.9680  10.720  4.1084  -4.594167      5.068331 
1 1 1 19  19  0  o 15.498  2.7403  35.689    12.298    53.127    16.752    15.308    18.111    19.363  3.3514  11.633  4.3364  7.729470       5.480564 
1 1 1 19  19  1  o 8.6775  2.5446  3.3807    9.6861    6.7931    12.233    -2.3547   15.859    8.9078  3.5016  8.4472  3.6932  0.4606085      5.089297 
1 1 1 19  19  2  o 34.946  2.1139  169.441   19.583    173.727   27.484    165.021   27.909    35.424  2.9227  34.468  3.0547  0.9564095      4.227709 
1 1 1 19  19  3  o 18.239  2.6571  47.960    12.560    37.804    17.195    59.576    18.389    16.061  4.0096  20.418  3.4877  -4.357697      5.314270 
1 1 1 19  19  4  o 21.427  2.6581  66.727    14.574    53.991    20.577    79.549    20.646    19.166  4.1301  23.688  3.3474  -4.521914      5.316225 
1 1 1 19  19  5  o 40.728  2.1932  231.705   23.666    254.493   33.761    209.688   33.184    42.779  2.9647  38.677  3.2329  4.102348       4.386434 
1 1 1 19  19  6  o 31.363  2.2799  138.650   18.855    143.838   26.455    133.294   26.881    32.011  3.1254  30.715  3.3202  1.295832       4.559820 
1 1 1 19  19  7  o 23.244  2.5612  77.857    15.422    78.122    21.623    77.583    22.002    23.303  3.5786  23.184  3.6650  0.1196289      5.122360 
1 1 1 19  19  8  o 15.938  3.0826  38.096    13.540    37.700    19.130    38.494    19.166    15.857  4.3658  16.019  4.3532  -0.1626825     6.165272 
1 1 1 19  19  9  o 27.723  3.5969  110.476   26.080    110.476   26.080    0.0000    0.0000    27.723  3.5969  ?       ?       ?              ?        
1 1 1 19  19  10 o 7.2712  3.3523  -10.0929  15.159    0.0000    0.0000    -10.0929  15.159    ?       ?       7.2712  3.3523  ?              ?        
1 1 1 19  19  11 o 14.697  2.8933  30.186    13.331    9.2574    18.337    53.651    19.416    10.444  4.2258  18.949  3.9533  -8.505194      5.786678 
1 1 1 19  19  12 f 24.110  2.8175  86.654    17.465    74.542    24.259    99.687    25.165    22.171  4.2395  26.048  3.7120  -3.876276      5.634950 
1 1 1 19  19  13 o 39.390  2.4310  225.744   25.327    240.924   35.724    210.403   35.912    40.857  3.2923  37.924  3.5777  2.933693       4.861993 
1 1 1 19  20  0  o 32.923  2.1974  151.431   19.087    160.414   26.643    141.960   27.358    33.997  2.9553  31.849  3.2527  2.148132       4.394742 
1 1 1 19  20  1  o 12.789  2.9900  22.188    11.738    19.844    15.167    25.687    18.533    12.053  4.0133  13.525  4.4332  -1.471458      5.979930 
1 1 1 19  20  2  o 8.3424  2.5500  -0.3488   10.351    2.6013    13.176    -5.1048   16.729    8.3743  3.5042  8.3104  3.7055  0.6392479E-01  5.100020 
1 1 1 19  20  3  o 17.292  2.8295  44.275    13.249    27.139    18.512    62.267    18.969    13.767  4.4246  20.818  3.5279  -7.051031      5.658904 
1 1 1 19  20  4  o 55.383  2.1588  427.504   31.875    407.922   44.953    447.306   45.205    54.058  3.1179  56.708  2.9866  -2.650585      4.317535 
1 1 1 19  20  5  o 20.326  2.8604  60.985    15.016    54.280    21.266    67.652    21.206    19.089  4.2667  21.564  3.8109  -2.475063      5.720778 
1 1 1 19  20  6  o 33.321  2.3755  158.618   20.596    183.759   28.885    132.620   29.374    36.233  3.0034  30.409  3.6813  5.823481       4.751073 
1 1 1 19  20  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  20  8  o 20.193  2.9741  60.998    15.563    59.212    21.792    62.857    22.232    19.877  4.2235  20.510  4.1885  -0.6337013     5.948233 
1 1 1 19  20  9  o 27.881  2.5563  112.591   18.636    109.624   26.146    115.654   26.569    27.488  3.6407  28.273  3.5893  -0.7854004     5.112536 
1 1 1 19  20  10 o 11.417  3.0348  16.071    12.578    15.964    17.218    16.193    18.418    11.319  4.2264  11.515  4.3562  -0.1964502     6.069535 
1 1 1 19  20  11 o 7.7816  2.4868  -5.8734   11.060    -6.4722   15.822    -5.3013   15.465    7.7646  3.5205  7.7985  3.5131  -0.3390503E-01 4.973534 
1 1 1 19  21  0  f 11.378  2.9224  15.954    11.456    15.827    15.359    16.114    17.200    11.221  4.0231  11.535  4.2397  -0.3138657     5.844720 
1 1 1 19  21  1  f 9.4697  2.4511  6.7519    9.8829    20.042    12.390    -16.4934  16.386    11.858  3.5915  7.0813  3.3365  4.776772       4.902215 
1 1 1 19  21  2  o 21.317  2.7878  65.815    15.282    56.948    20.686    76.467    22.674    19.663  4.0621  22.971  3.8192  -3.308546      5.575538 
1 1 1 19  21  3  o 32.866  2.2802  152.384   19.751    164.798   27.952    140.003   27.914    34.287  3.0763  31.445  3.3666  2.842936       4.560416 
1 1 1 19  21  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  21  5  o 9.8981  4.1528  4.5312    18.581    0.0000    0.0000    4.5312    18.581    ?       ?       9.8981  4.1528  ?              ?        
1 1 1 19  21  6  o 27.904  2.4934  111.891   18.217    110.355   25.554    113.478   25.978    27.709  3.5228  28.099  3.5295  -0.3903599     4.986726 
1 1 1 19  21  7  f 15.267  3.1986  35.393    14.002    34.830    19.387    36.008    20.246    15.153  4.4704  15.380  4.5761  -0.2267981     6.397243 
1 1 1 19  21  8  o 36.530  2.3478  191.188   22.709    184.244   32.033    198.204   32.198    35.817  3.3789  37.243  3.2606  -1.425964      4.695585 
1 1 1 19  21  9  o 17.351  3.1814  47.654    15.168    57.186    20.861    36.961    22.094    19.341  4.1511  15.361  4.8221  3.979656       6.362736 
1 1 1 19  22  0  o 22.563  3.5489  73.129    20.740    73.129    20.740    0.0000    0.0000    22.563  3.5489  ?       ?       ?              ?        
1 1 1 19  22  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 19  22  2  o 11.152  4.4345  11.599    19.830    0.0000    0.0000    11.599    19.830    ?       ?       11.152  4.4345  ?              ?        
1 1 1 19  22  3  o 26.118  2.5747  98.662    17.344    83.871    24.329    113.949   24.733    23.942  3.9302  28.294  3.3271  -4.352221      5.149411 
1 1 1 19  22  4  o 24.945  2.6741  91.857    16.946    72.471    24.164    110.614   23.770    22.017  4.2516  27.872  3.2447  -5.855539      5.348222 
1 1 1 19  22  5  o 20.580  3.0501  64.968    16.352    82.726    23.064    47.021    23.186    23.765  3.7475  17.395  4.8134  6.369543       6.100204 
1 1 1 19  22  6  o 25.905  2.7169  99.009    18.252    105.650   26.030    92.587    25.599    26.845  3.7202  24.965  3.9605  1.879681       5.433712 
1 1 1 19  22  7  o 20.643  3.0490  65.632    16.337    77.139    23.420    54.726    22.799    22.621  4.0122  18.664  4.5920  3.956669       6.097929 
1 1 1 19  23  0  o 20.123  3.0043  60.197    15.656    56.291    21.321    64.766    23.063    19.413  4.2208  20.832  4.2765  -1.418810      6.008583 
1 1 1 19  23  1  o 9.2663  2.7859  -0.6494   12.136    -8.4053   15.622    11.154    19.272    7.5857  3.4620  10.947  4.3658  -3.361027      5.571834 
1 1 1 19  23  2  o 33.234  2.4420  158.470   21.365    163.247   29.563    153.247   30.910    33.854  3.3023  32.613  3.5984  1.240944       4.884017 
1 1 1 19  23  3  o 30.096  2.4802  130.988   19.573    134.739   27.137    126.922   28.258    30.636  3.3623  29.555  3.6470  1.081276       4.960399 
1 1 1 19  23  4  o 30.462  2.4293  134.257   19.467    139.188   27.818    129.525   27.252    31.037  3.4019  29.888  3.4688  1.149576       4.858546 
1 1 1 19  24  0  o 31.008  2.4242  138.162   19.771    136.241   27.206    140.311   28.781    30.825  3.3490  31.191  3.5058  -0.3655014     4.848306 
1 1 1 19  24  1  o 14.796  3.2308  33.694    14.152    36.842    18.878    29.656    21.382    15.487  4.3640  14.105  4.7653  1.381992       6.461589 
1 1 1 20  -33 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -33 6  o 14.085  5.8614  48.214    36.575    48.214    36.575    0.0000    0.0000    14.085  5.8614  ?       ?       ?              ?        
1 1 1 20  -33 7  o 19.071  3.4685  70.161    17.983    86.426    26.744    56.738    24.296    21.381  4.7888  16.761  5.0189  4.620619       6.936987 
1 1 1 20  -33 8  o 16.881  3.3148  57.606    16.684    37.885    25.558    72.249    22.023    13.530  5.1284  20.232  4.2013  -6.702553      6.629566 
1 1 1 20  -33 9  o 9.4002  2.9181  6.8032    14.393    -4.5475   23.989    13.188    17.992    8.8741  4.1343  9.9262  4.1192  -1.052073      5.836133 
1 1 1 20  -33 10 o 10.244  3.0748  13.573    14.965    4.6645    24.016    19.229    19.135    9.6209  4.3519  10.867  4.3448  -1.246491      6.149508 
1 1 1 20  -33 11 o 17.957  3.3478  60.821    18.324    102.382   27.806    28.914    24.363    23.634  4.5577  12.279  4.9049  11.35456       6.695583 
1 1 1 20  -33 12 o 33.945  2.7410  195.125   24.397    213.820   35.402    178.215   33.669    35.699  3.7589  32.190  3.9904  3.508652       5.482064 
1 1 1 20  -33 13 o 15.290  3.0572  35.972    15.696    85.852    25.483    5.4763    19.925    21.456  4.5739  9.1240  4.0578  12.33208       6.114418 
1 1 1 20  -33 14 o 15.098  3.6402  47.399    18.007    67.870    27.765    32.538    23.657    17.567  5.3879  12.629  4.8963  4.937628       7.280324 
1 1 1 20  -33 15 o 10.523  2.9486  18.530    13.033    5.4720    22.648    24.994    15.935    9.3636  4.2317  11.682  4.1073  -2.318212      5.897264 
1 1 1 20  -33 16 o 11.829  3.2315  27.617    15.622    12.504    25.566    36.621    19.735    10.200  4.5621  13.457  4.5779  -3.256573      6.463001 
1 1 1 20  -33 17 o 12.785  3.4179  35.926    16.879    24.074    26.990    43.539    21.630    11.272  4.8738  14.299  4.7931  -3.027550      6.835819 
1 1 1 20  -33 18 o 13.267  3.4309  35.538    16.673    61.131    26.029    17.730    21.712    16.204  5.2505  10.330  4.4176  5.874301       6.861708 
1 1 1 20  -33 19 o 9.4773  2.9757  10.022    14.397    19.107    24.412    5.1768    17.828    10.454  4.5761  8.5002  3.8051  1.954248       5.951459 
1 1 1 20  -33 20 o 9.6614  3.0366  11.173    14.975    25.759    25.544    3.5353    18.484    10.994  4.7476  8.3292  3.7875  2.664386       6.073269 
1 1 1 20  -33 21 o 13.642  3.2867  45.106    17.086    18.158    26.301    64.785    22.476    10.098  4.5623  17.186  4.7324  -7.087444      6.573442 
1 1 1 20  -33 22 o 8.0995  2.7225  -3.8708   14.958    10.333    25.550    -11.2780  18.451    9.2564  4.2971  6.9426  3.3441  2.313803       5.445028 
1 1 1 20  -32 0  o 18.156  4.6623  61.023    22.791    0.0000    0.0000    61.023    22.791    ?       ?       18.156  4.6623  ?              ?        
1 1 1 20  -32 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -32 2  o 7.5772  3.7434  -41.8881  27.730    -41.8881  27.730    0.0000    0.0000    7.5772  3.7434  ?       ?       ?              ?        
1 1 1 20  -32 3  o 19.714  3.1469  65.606    16.402    95.798    25.695    44.845    21.307    23.826  4.1788  15.602  4.7064  8.224050       6.293809 
1 1 1 20  -32 4  o 10.846  2.9589  16.195    13.651    -4.2800   22.367    28.348    17.233    8.8887  4.0885  12.804  4.2783  -3.915246      5.917757 
1 1 1 20  -32 5  o 11.972  3.0663  16.730    13.610    45.007    22.433    0.2592    17.122    15.547  4.8555  8.3976  3.7462  7.148957       6.132679 
1 1 1 20  -32 6  o 14.976  3.2654  15.019    16.645    96.982    32.481    -14.1692  19.383    22.401  5.4626  7.5522  3.5794  14.84840       6.530893 
1 1 1 20  -32 7  o 30.761  3.7853  152.585   30.530    0.0000    0.0000    152.585   30.530    ?       ?       30.761  3.7853  ?              ?        
1 1 1 20  -32 8  f 21.113  4.5048  77.730    24.699    0.0000    0.0000    77.730    24.699    ?       ?       21.113  4.5048  ?              ?        
1 1 1 20  -32 9  o 26.703  3.9248  116.832   27.234    0.0000    0.0000    116.832   27.234    ?       ?       26.703  3.9248  ?              ?        
1 1 1 20  -32 10 o 25.287  3.9256  105.106   25.726    0.0000    0.0000    105.106   25.726    ?       ?       25.287  3.9256  ?              ?        
1 1 1 20  -32 11 o 19.434  5.0509  71.315    26.533    0.0000    0.0000    71.315    26.533    ?       ?       19.434  5.0509  ?              ?        
1 1 1 20  -32 12 o 12.159  4.3901  25.515    18.323    0.0000    0.0000    25.515    18.323    ?       ?       12.159  4.3901  ?              ?        
1 1 1 20  -32 13 o 15.788  4.4976  45.293    19.939    0.0000    0.0000    45.293    19.939    ?       ?       15.788  4.4976  ?              ?        
1 1 1 20  -32 14 o 11.230  3.3195  5.9288    15.105    48.124    30.705    -7.5431   17.350    14.884  5.6260  7.5752  3.5248  7.308977       6.639013 
1 1 1 20  -32 15 o 12.215  3.0085  15.172    13.960    54.560    23.174    -7.2633   17.490    16.825  4.8661  7.6059  3.5390  9.219101       6.016925 
1 1 1 20  -32 16 o 9.5040  2.8230  10.068    12.499    -1.4704   21.536    15.929    15.348    8.8112  4.0376  10.197  3.9465  -1.385530      5.645968 
1 1 1 20  -32 17 f 21.291  3.4027  86.714    18.873    81.287    28.640    90.880    25.090    19.953  5.2777  22.630  4.2965  -2.676868      6.805460 
1 1 1 20  -32 18 o 11.500  3.2274  20.238    15.070    38.600    23.806    7.9573    19.468    13.638  4.9916  9.3610  4.0923  4.277475       6.454744 
1 1 1 20  -32 19 o 14.056  3.3242  41.252    16.837    17.690    26.122    57.996    22.021    10.862  4.7447  17.249  4.6573  -6.387326      6.648475 
1 1 1 20  -32 20 o 15.663  3.6184  53.756    17.428    54.324    26.519    53.323    23.123    15.397  5.3050  15.928  4.9222  -0.5310736     7.236779 
1 1 1 20  -32 21 o 14.123  3.5010  45.267    17.198    33.526    26.345    53.986    22.703    12.302  5.0320  15.944  4.8690  -3.642339      7.002049 
1 1 1 20  -32 22 o 12.241  3.2583  31.333    16.432    9.6248    24.930    48.009    21.850    9.6611  4.3953  14.821  4.8113  -5.160268      6.516694 
1 1 1 20  -32 23 o 9.1149  2.9427  6.0523    16.560    -9.8974   27.310    15.326    20.824    8.4242  4.0604  9.8056  4.2605  -1.381365      5.885432 
1 1 1 20  -32 24 o 13.219  3.4232  37.011    17.568    74.849    27.553    11.087    22.806    17.118  5.3867  9.3188  4.2257  7.799455       6.846440 
1 1 1 20  -32 25 o 6.2342  2.1979  -26.7516  13.171    -22.5197  22.978    -28.8227  16.074    6.9939  3.4462  5.4746  2.7290  1.519350       4.395877 
1 1 1 20  -31 0  o 15.892  4.8331  45.468    22.403    45.468    22.403    0.0000    0.0000    15.892  4.8331  ?       ?       ?              ?        
1 1 1 20  -31 1  o 16.830  4.8231  50.547    22.861    50.547    22.861    0.0000    0.0000    16.830  4.8231  ?       ?       ?              ?        
1 1 1 20  -31 2  o 15.808  4.9681  45.164    23.445    45.164    23.445    0.0000    0.0000    15.808  4.9681  ?       ?       ?              ?        
1 1 1 20  -31 3  o 9.2482  4.0726  2.5184    19.594    2.5184    19.594    0.0000    0.0000    9.2482  4.0726  ?       ?       ?              ?        
1 1 1 20  -31 4  o 13.538  4.7587  31.413    21.390    31.413    21.390    0.0000    0.0000    13.538  4.7587  ?       ?       ?              ?        
1 1 1 20  -31 5  o 13.984  4.9199  34.226    22.866    34.226    22.866    0.0000    0.0000    13.984  4.9199  ?       ?       ?              ?        
1 1 1 20  -31 6  o 10.331  4.2886  11.435    19.512    11.435    19.512    0.0000    0.0000    10.331  4.2886  ?       ?       ?              ?        
1 1 1 20  -31 7  o 6.7751  3.2372  -16.7695  16.514    -16.7695  16.514    0.0000    0.0000    6.7751  3.2372  ?       ?       ?              ?        
1 1 1 20  -31 8  o 7.5700  3.5376  -10.6233  17.779    -10.6233  17.779    0.0000    0.0000    7.5700  3.5376  ?       ?       ?              ?        
1 1 1 20  -31 9  o 28.187  4.0307  128.476   29.565    128.476   29.565    0.0000    0.0000    28.187  4.0307  ?       ?       ?              ?        
1 1 1 20  -31 10 o 22.902  4.6153  90.131    27.333    90.131    27.333    0.0000    0.0000    22.902  4.6153  ?       ?       ?              ?        
1 1 1 20  -31 11 o 21.283  4.7564  79.631    26.433    79.631    26.433    0.0000    0.0000    21.283  4.7564  ?       ?       ?              ?        
1 1 1 20  -31 12 o 16.713  5.0017  51.852    24.135    51.852    24.135    0.0000    0.0000    16.713  5.0017  ?       ?       ?              ?        
1 1 1 20  -31 13 o 13.407  2.8219  27.641    14.643    -10.9862  22.418    56.383    19.338    8.4165  3.9457  18.397  4.0354  -9.980192      5.643878 
1 1 1 20  -31 14 o 12.886  3.5031  22.451    15.911    50.858    29.879    11.208    18.797    15.739  5.6147  10.034  4.1909  5.705717       7.006293 
1 1 1 20  -31 15 o 7.7401  3.3722  1.8010    13.119    0.0000    0.0000    1.8010    13.119    ?       ?       7.7401  3.3722  ?              ?        
1 1 1 20  -31 16 o 17.219  3.9284  49.760    17.718    0.0000    0.0000    49.760    17.718    ?       ?       17.219  3.9284  ?              ?        
1 1 1 20  -31 17 o 11.264  4.2226  20.712    17.220    0.0000    0.0000    20.712    17.220    ?       ?       11.264  4.2226  ?              ?        
1 1 1 20  -31 18 o 21.648  3.9601  92.083    21.400    108.778   41.594    86.073    24.957    21.120  6.6140  22.175  4.3573  -1.054296      7.920275 
1 1 1 20  -31 19 o 27.054  3.2065  133.286   21.613    101.496   31.810    160.545   29.457    22.608  5.3385  31.501  3.5533  -8.892733      6.412982 
1 1 1 20  -31 20 o 9.6836  2.8898  7.3490    14.283    -13.8575  21.979    22.852    18.792    7.9051  3.7653  11.462  4.3848  -3.557014      5.779612 
1 1 1 20  -31 21 f 9.1962  2.8520  6.9956    13.400    2.5974    21.616    9.7407    17.077    9.0901  4.1188  9.3022  3.9460  -0.2120934     5.703989 
1 1 1 20  -31 22 o 9.2919  2.9747  4.5443    15.726    5.6601    24.323    3.7428    20.615    9.5954  4.3561  8.9883  4.0520  0.6071377      5.949327 
1 1 1 20  -31 23 o 10.290  3.0534  14.928    15.387    -3.0943   24.186    27.182    19.943    8.7807  4.1107  11.799  4.5162  -3.018038      6.106866 
1 1 1 20  -31 24 o 10.587  3.1757  14.273    15.916    37.867    25.346    -1.0872   20.451    12.832  5.0415  8.3431  3.8630  4.488489       6.351355 
1 1 1 20  -31 25 o 11.872  3.2850  28.960    17.294    4.3208    25.955    48.634    23.193    9.2463  4.3053  14.497  4.9627  -5.250499      6.569940 
1 1 1 20  -31 26 f 12.831  3.5498  42.287    17.935    37.548    26.753    46.156    24.171    12.096  5.0215  13.565  5.0190  -1.469639      7.099697 
1 1 1 20  -31 27 o 12.798  3.3624  41.721    17.980    14.672    27.051    63.130    24.066    9.6414  4.4566  15.954  5.0361  -6.313066      6.724860 
1 1 1 20  -31 28 o 13.386  3.5584  50.917    18.567    74.903    27.232    30.083    25.380    16.133  5.3780  10.638  4.6611  5.494751       7.116771 
1 1 1 20  -30 0  o 17.562  3.2368  53.390    16.022    36.485    23.554    67.947    21.857    14.556  5.0006  20.567  4.1113  -6.011566      6.473697 
1 1 1 20  -30 1  o 8.2516  2.4482  -3.1491   10.966    -29.5145  17.291    14.592    14.184    6.1940  3.0396  10.309  3.8387  -4.115111      4.896381 
1 1 1 20  -30 2  f 9.4192  2.7372  6.7937    11.805    -6.8936   18.892    15.562    15.121    8.2477  3.7803  10.591  3.9595  -2.343063      5.474315 
1 1 1 20  -30 3  o 13.860  3.2590  30.826    15.052    45.820    21.472    16.339    21.106    16.393  4.6663  11.327  4.5508  5.065959       6.518012 
1 1 1 20  -30 4  o 8.4475  2.4513  2.4028    10.205    -18.6510  16.983    14.300    12.767    6.8069  3.2606  10.088  3.6610  -3.281256      4.902516 
1 1 1 20  -30 5  o 8.0006  2.5738  -4.9966   11.855    -3.6164   18.658    -5.9310   15.351    8.5020  3.8417  7.4993  3.4261  1.002696       5.147566 
1 1 1 20  -30 6  o 7.7694  2.4803  -5.3769   10.384    4.0439    17.841    -10.2035  12.771    9.1956  3.9694  6.3431  2.9751  2.852486       4.960596 
1 1 1 20  -30 7  o 19.349  3.1768  63.153    16.202    55.434    23.516    70.128    22.355    17.887  4.8058  20.810  4.1561  -2.922747      6.353663 
1 1 1 20  -30 8  o 18.025  3.2089  54.957    15.434    55.093    23.018    54.845    20.803    17.874  4.7331  18.176  4.3342  -0.3019581     6.417711 
1 1 1 20  -30 9  o 11.456  3.0622  18.353    12.460    24.476    20.756    14.904    15.580    12.454  4.6424  10.458  3.9944  1.995829       6.124312 
1 1 1 20  -30 10 o 16.422  3.1923  47.329    14.933    35.115    22.730    56.604    19.808    14.204  4.9105  18.640  4.0805  -4.436114      6.384575 
1 1 1 20  -30 11 o 20.080  3.2133  67.986    16.835    73.909    24.991    63.064    22.780    20.851  4.5982  19.308  4.4897  1.543270       6.426560 
1 1 1 20  -30 12 o 14.413  3.0038  31.201    15.150    62.888    21.846    1.8442    21.028    19.405  4.3148  9.4215  4.1803  9.983814       6.007680 
1 1 1 20  -30 13 o 6.9523  3.3629  -23.3554  19.145    -23.3554  19.145    0.0000    0.0000    6.9523  3.3629  ?       ?       ?              ?        
1 1 1 20  -30 14 o 9.1888  4.0494  2.7231    19.406    2.7231    19.406    0.0000    0.0000    9.1888  4.0494  ?       ?       ?              ?        
1 1 1 20  -30 15 o 18.191  5.1183  61.561    25.988    61.561    25.988    0.0000    0.0000    18.191  5.1183  ?       ?       ?              ?        
1 1 1 20  -30 16 o 11.584  4.6102  20.294    21.450    20.294    21.450    0.0000    0.0000    11.584  4.6102  ?       ?       ?              ?        
1 1 1 20  -30 17 o 16.487  3.3768  49.451    15.643    52.353    24.078    47.331    20.576    16.682  4.9965  16.292  4.5438  0.3896313      6.753621 
1 1 1 20  -30 18 o 15.968  4.7345  47.005    21.700    0.0000    0.0000    47.005    21.700    ?       ?       15.968  4.7345  ?              ?        
1 1 1 20  -30 19 o 16.038  4.7195  47.787    21.632    0.0000    0.0000    47.787    21.632    ?       ?       16.038  4.7195  ?              ?        
1 1 1 20  -30 20 o 10.190  4.1145  14.365    17.345    0.0000    0.0000    14.365    17.345    ?       ?       10.190  4.1145  ?              ?        
1 1 1 20  -30 21 f 9.4103  2.9461  4.8481    14.198    11.384    23.315    0.9959    17.900    10.327  4.4976  8.4934  3.8067  1.833830       5.892271 
1 1 1 20  -30 22 o 12.712  3.3101  30.766    15.776    17.181    24.951    39.814    20.362    11.002  4.7211  14.422  4.6410  -3.419663      6.620233 
1 1 1 20  -30 23 o 14.200  3.4339  41.826    16.899    26.101    26.457    52.661    21.963    11.942  4.9787  16.457  4.7306  -4.515038      6.867787 
1 1 1 20  -30 24 o 10.860  3.1907  16.054    15.822    33.600    23.801    2.1618    21.179    12.786  4.9240  8.9334  4.0592  3.853058       6.381435 
1 1 1 20  -30 25 o 13.701  3.4693  37.331    17.326    62.800    26.221    17.594    23.083    16.831  5.2482  10.571  4.5387  6.259489       6.938546 
1 1 1 20  -30 26 o 12.697  2.9812  25.998    16.668    -21.8158  25.257    62.890    22.186    7.7049  3.7581  17.690  4.6288  -9.984833      5.962334 
1 1 1 20  -30 27 o 10.879  3.1257  18.033    17.046    -14.8664  25.767    43.637    22.731    8.0204  3.8851  13.739  4.8976  -5.718142      6.251411 
1 1 1 20  -30 28 o 26.776  3.3829  150.392   23.360    150.096   33.450    150.674   32.637    26.546  4.8845  27.005  4.6818  -0.4587860     6.765875 
1 1 1 20  -30 29 o 10.172  3.0370  14.642    17.184    -23.2301  25.981    44.091    22.910    7.3471  3.6285  12.998  4.8710  -5.650415      6.073926 
1 1 1 20  -30 30 o 6.9770  2.4224  -16.9881  15.630    -21.7197  22.381    -12.4829  21.839    6.7838  3.3535  7.1702  3.4967  -0.3863821     4.844887 
1 1 1 20  -29 0  o 21.054  2.9774  70.463    16.192    82.467    23.602    59.791    22.254    22.962  3.9817  19.145  4.4279  3.817060       5.954892 
1 1 1 20  -29 1  o 15.765  2.6533  35.995    13.500    74.798    19.973    3.3554    18.319    22.234  3.4669  9.2958  4.0174  12.93851       5.306504 
1 1 1 20  -29 2  o 17.431  2.9892  51.053    14.254    33.924    21.502    64.484    19.039    14.326  4.7788  20.536  3.5922  -6.210624      5.978376 
1 1 1 20  -29 3  f 12.984  2.9141  26.672    12.252    13.317    18.529    37.046    16.332    10.699  4.2763  15.268  3.9600  -4.568410      5.828238 
1 1 1 20  -29 4  o 13.623  3.0792  29.982    12.967    22.978    19.132    35.935    17.637    12.340  4.4812  14.906  4.2242  -2.566339      6.158336 
1 1 1 20  -29 5  o 15.960  3.0660  41.045    13.511    49.445    20.034    34.037    18.299    17.456  4.3106  14.464  4.3611  2.991955       6.131933 
1 1 1 20  -29 6  o 22.957  2.7778  81.943    16.449    88.223    23.720    76.125    22.830    23.891  3.8365  22.023  4.0183  1.867884       5.555656 
1 1 1 20  -29 7  o 7.2781  2.3541  -5.8577   10.026    -10.1900  16.749    -3.4385   12.516    7.4878  3.4771  7.0683  3.1744  0.4194703      4.708252 
1 1 1 20  -29 8  o 19.466  3.0363  62.027    15.392    53.489    22.919    69.040    20.773    17.847  4.7215  21.085  3.8189  -3.237957      6.072650 
1 1 1 20  -29 9  o 27.557  2.7028  116.916   19.140    139.602   27.722    96.252    26.458    30.453  3.4600  24.661  4.1532  5.792824       5.405616 
1 1 1 20  -29 10 o 11.609  3.1599  15.945    14.202    30.197    21.847    5.5160    18.689    13.613  4.8069  9.6054  4.1029  4.008055       6.319815 
1 1 1 20  -29 11 o 13.001  2.9507  27.446    11.983    19.516    18.695    32.975    15.612    11.647  4.3930  14.354  3.9407  -2.706518      5.901484 
1 1 1 20  -29 12 o 18.399  3.1676  55.987    15.396    59.173    23.076    53.432    20.668    18.765  4.6216  18.032  4.3331  0.7330341      6.335259 
1 1 1 20  -29 13 f 11.233  2.9805  18.176    12.182    14.299    19.128    20.822    15.801    10.810  4.3362  11.655  4.0904  -0.8445091     5.961022 
1 1 1 20  -29 14 o 16.485  2.9910  42.862    13.860    66.779    21.382    25.530    18.202    20.370  4.0614  12.600  4.3920  7.769738       5.981996 
1 1 1 20  -29 15 o 8.8901  2.7906  -1.4595   12.848    8.6457    21.192    -7.3323   16.155    10.253  4.3740  7.5268  3.4667  2.726626       5.581230 
1 1 1 20  -29 16 o 12.934  3.2410  27.070    14.481    37.033    20.744    17.598    20.226    14.584  4.6833  11.285  4.4813  3.298950       6.481912 
1 1 1 20  -29 17 o 14.436  4.8706  37.197    22.337    37.197    22.337    0.0000    0.0000    14.436  4.8706  ?       ?       ?              ?        
1 1 1 20  -29 18 o 9.2057  4.0965  1.6421    20.337    1.6421    20.337    0.0000    0.0000    9.2057  4.0965  ?       ?       ?              ?        
1 1 1 20  -29 19 o 23.844  4.4053  96.746    27.098    96.746    27.098    0.0000    0.0000    23.844  4.4053  ?       ?       ?              ?        
1 1 1 20  -29 20 o 13.413  3.4716  33.706    17.255    17.312    30.072    41.753    21.068    11.725  5.1071  15.100  4.7037  -3.375070      6.943145 
1 1 1 20  -29 21 o 25.721  4.1638  111.710   27.705    0.0000    0.0000    111.710   27.705    ?       ?       25.721  4.1638  ?              ?        
1 1 1 20  -29 22 o 9.2041  3.9647  6.9707    17.724    0.0000    0.0000    6.9707    17.724    ?       ?       9.2041  3.9647  ?              ?        
1 1 1 20  -29 23 f 22.270  3.3946  92.221    19.595    90.087    29.004    94.013    26.579    21.598  5.0960  22.942  4.4859  -1.344950      6.789157 
1 1 1 20  -29 24 o 8.0493  2.6640  -8.4117   14.208    -2.0653   21.468    -13.3578  18.953    8.7257  4.0105  7.3729  3.5076  1.352751       5.327966 
1 1 1 20  -29 25 o 24.547  3.2246  111.528   20.224    97.734    29.646    123.536   27.660    22.258  5.0841  26.835  3.9679  -4.577415      6.449248 
1 1 1 20  -29 26 o 10.903  3.2606  19.092    16.345    23.315    24.325    15.616    22.071    11.402  4.7655  10.404  4.4517  0.9981174      6.521273 
1 1 1 20  -29 27 o 10.761  3.0448  5.3341    15.844    48.204    24.415    -25.8510  20.824    14.703  5.0889  6.8201  3.3446  7.882638       6.089571 
1 1 1 20  -29 28 o 9.6736  3.0706  10.118    16.309    16.701    25.226    5.3901    21.377    10.351  4.5863  8.9966  4.0841  1.354020       6.141142 
1 1 1 20  -29 29 o 11.548  3.2275  24.782    16.626    50.087    23.889    1.0145    23.153    14.436  5.0317  8.6591  4.0433  5.777368       6.454939 
1 1 1 20  -29 30 o 11.701  3.3528  31.775    18.282    7.4654    26.670    53.323    25.109    9.1981  4.3094  14.205  5.1375  -5.006711      6.705575 
1 1 1 20  -29 31 o 12.133  3.3115  36.760    18.354    3.6048    26.792    66.076    25.193    8.6708  4.1375  15.595  5.1715  -6.923980      6.622926 
1 1 1 20  -28 0  o 5.5805  1.8810  -12.9131  7.8081    -23.4601  13.180    -7.2097   9.6920    5.4551  2.6723  5.7060  2.6481  -0.2508097     3.762089 
1 1 1 20  -28 1  o 22.930  2.6326  79.458    15.564    89.123    22.622    70.770    21.448    24.377  3.5706  21.484  3.8695  2.893120       5.265172 
1 1 1 20  -28 2  o 29.088  2.4014  125.136   18.090    148.366   26.006    103.360   25.179    31.971  3.0749  26.206  3.6894  5.764856       4.802742 
1 1 1 20  -28 3  o 11.098  2.8102  16.519    11.312    5.1886    17.352    24.892    14.916    9.4548  3.9924  12.741  3.9561  -3.286075      5.620461 
1 1 1 20  -28 4  o 22.287  2.7437  76.560    15.604    61.929    22.261    90.692    21.877    19.813  4.3168  24.761  3.3876  -4.947992      5.487312 
1 1 1 20  -28 5  o 12.812  3.0793  24.959    12.699    21.286    19.200    27.816    16.931    12.233  4.4820  13.392  4.2238  -1.158513      6.158590 
1 1 1 20  -28 6  o 7.2568  3.3032  -6.2243   14.105    0.0000    0.0000    -6.2243   14.105    ?       ?       7.2568  3.3032  ?              ?        
1 1 1 20  -28 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -28 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -28 9  o 14.534  5.4682  32.851    28.928    32.851    28.928    0.0000    0.0000    14.534  5.4682  ?       ?       ?              ?        
1 1 1 20  -28 10 o 12.055  4.6166  19.489    20.846    19.489    20.846    0.0000    0.0000    12.055  4.6166  ?       ?       ?              ?        
1 1 1 20  -28 11 f 29.289  2.6061  127.057   19.833    110.780   26.303    148.504   30.194    27.096  3.7227  31.483  3.6482  -4.387194      5.212249 
1 1 1 20  -28 12 o 13.411  3.1864  27.981    13.503    31.507    19.933    24.991    18.358    14.039  4.5973  12.783  4.4133  1.256795       6.372782 
1 1 1 20  -28 13 o 15.742  3.0976  40.371    13.589    36.378    20.323    43.599    18.274    14.925  4.6150  16.560  4.1330  -1.635247      6.195179 
1 1 1 20  -28 14 o 6.8671  2.2862  -11.5423  10.370    -19.1560  18.243    -7.9078   12.605    7.1517  3.4131  6.5825  3.0425  0.5692086      4.572311 
1 1 1 20  -28 15 o 8.2380  2.5944  -6.1922   12.217    7.3581    17.259    -19.8014  17.296    9.6278  4.0181  6.8482  3.2830  2.779598       5.188765 
1 1 1 20  -28 16 o 17.120  4.6097  49.156    21.608    49.156    21.608    0.0000    0.0000    17.120  4.6097  ?       ?       ?              ?        
1 1 1 20  -28 17 o 13.092  5.3970  24.414    30.600    24.414    30.600    0.0000    0.0000    13.092  5.3970  ?       ?       ?              ?        
1 1 1 20  -28 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -28 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -28 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -28 21 o 17.844  5.1109  59.597    25.677    59.597    25.677    0.0000    0.0000    17.844  5.1109  ?       ?       ?              ?        
1 1 1 20  -28 22 o 11.784  3.4305  13.003    16.551    43.911    30.393    -0.0268   19.733    14.720  5.5893  8.8483  3.9789  5.871695       6.860921 
1 1 1 20  -28 23 o 6.9023  3.2694  -12.5674  16.124    0.0000    0.0000    -12.5674  16.124    ?       ?       6.9023  3.2694  ?              ?        
1 1 1 20  -28 24 o 27.722  3.9318  128.131   28.377    0.0000    0.0000    128.131   28.377    ?       ?       27.722  3.9318  ?              ?        
1 1 1 20  -28 25 o 13.799  3.4855  38.011    17.031    26.152    25.662    47.347    22.768    12.097  4.9595  15.502  4.8990  -3.404579      6.971083 
1 1 1 20  -28 26 o 9.8272  3.0038  5.9409    15.070    24.551    22.641    -8.8625   20.193    11.726  4.7126  7.9286  3.7258  3.797236       6.007530 
1 1 1 20  -28 27 o 12.619  3.0198  23.723    16.123    -15.3305  23.742    57.151    21.965    8.0318  3.8494  17.206  4.6539  -9.174030      6.039586 
1 1 1 20  -28 28 o 11.352  3.1348  17.127    16.212    45.360    23.019    -10.6639  22.837    14.597  4.9443  8.1077  3.8551  6.488902       6.269619 
1 1 1 20  -28 29 o 9.8840  3.0428  9.1849    15.827    28.221    23.199    -7.3913   21.648    11.719  4.7490  8.0490  3.8054  3.670033       6.085531 
1 1 1 20  -28 30 o 7.7004  2.5609  -12.3161  14.516    -37.1337  21.332    9.0848    19.809    6.2861  3.1351  9.1147  4.0501  -2.828579      5.121803 
1 1 1 20  -28 31 o 7.3099  2.5151  -23.6019  15.524    5.0898    23.231    -46.7505  20.867    8.8537  4.1057  5.7662  2.9062  3.087531       5.030193 
1 1 1 20  -28 32 o 8.7075  2.8915  4.6165    17.436    -5.8063   25.711    13.492    23.726    8.1202  3.9202  9.2948  4.2514  -1.174628      5.782923 
1 1 1 20  -28 33 o 10.588  3.3284  32.885    18.938    43.015    27.956    24.295    25.746    11.362  4.9366  9.8146  4.4657  1.547415       6.656721 
1 1 1 20  -27 0  o 16.876  2.8494  43.225    13.708    69.801    20.084    20.044    18.757    21.670  3.5855  12.082  4.4295  9.588859       5.698824 
1 1 1 20  -27 1  o 36.296  2.1852  188.738   21.029    197.734   30.149    180.214   29.346    37.169  3.0554  35.423  3.1250  1.746128       4.370458 
1 1 1 20  -27 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -27 3  f 19.019  5.9060  61.444    33.244    61.444    33.244    0.0000    0.0000    19.019  5.9060  ?       ?       ?              ?        
1 1 1 20  -27 4  o 28.535  2.3586  118.165   17.600    106.599   24.808    129.884   24.971    26.996  3.5142  30.073  3.1467  -3.076405      4.717132 
1 1 1 20  -27 5  o 31.700  2.2116  144.104   18.517    138.797   26.295    149.325   26.079    31.064  3.2064  32.336  3.0470  -1.271484      4.423252 
1 1 1 20  -27 6  o 19.828  2.8654  60.438    14.686    48.964    21.181    71.060    20.379    17.716  4.4653  21.941  3.5920  -4.225584      5.730729 
1 1 1 20  -27 7  o 11.039  2.7872  11.614    12.469    -11.2426  18.659    30.058    16.762    8.0366  3.7101  14.041  4.1605  -6.004515      5.574473 
1 1 1 20  -27 8  o 15.530  2.8369  36.996    11.822    35.508    18.129    38.098    15.594    15.165  4.2777  15.895  3.7275  -0.7301025     5.673866 
1 1 1 20  -27 9  f 29.540  2.3607  126.438   18.348    129.300   26.158    123.667   25.743    29.880  3.3247  29.199  3.3523  0.6818523      4.721422 
1 1 1 20  -27 10 o 19.735  2.8023  58.820    14.292    72.422    20.866    46.801    19.615    22.088  3.6547  17.381  4.2490  4.707020       5.604552 
1 1 1 20  -27 11 o 15.715  3.1575  38.481    13.892    42.566    20.573    35.057    18.834    16.431  4.5290  14.999  4.4008  1.432256       6.314977 
1 1 1 20  -27 12 o 32.556  2.3093  153.629   19.850    148.069   28.126    159.146   28.019    31.909  3.3403  33.203  3.1897  -1.294041      4.618619 
1 1 1 20  -27 13 o 16.385  3.0247  43.052    13.982    27.982    20.603    55.917    19.037    13.581  4.6762  19.189  3.8379  -5.608125      6.049464 
1 1 1 20  -27 14 f 11.946  3.1185  19.633    13.148    19.474    19.604    19.763    17.725    12.008  4.5047  11.884  4.3137  0.1232758      6.236989 
1 1 1 20  -27 15 o 17.280  2.8769  48.556    14.278    21.028    20.731    73.402    19.695    12.322  4.6304  22.238  3.4156  -9.915961      5.753894 
1 1 1 20  -27 16 f 16.207  3.0536  40.679    14.423    62.959    21.324    21.893    19.581    20.089  4.1018  12.325  4.5247  7.763457       6.107164 
1 1 1 20  -27 17 o 18.014  3.0577  51.473    14.808    68.029    21.881    37.485    20.112    20.866  4.0613  15.163  4.5722  5.703237       6.115479 
1 1 1 20  -27 18 o 25.341  2.8055  101.292   17.981    83.736    26.517    116.234   24.464    22.744  4.5121  27.937  3.3353  -5.192970      5.610989 
1 1 1 20  -27 19 o 12.223  3.1458  22.701    13.364    20.076    20.315    24.704    17.744    11.890  4.5564  12.556  4.3387  -0.6668615     6.291696 
1 1 1 20  -27 20 o 9.6830  2.8857  6.3716    12.772    13.193    19.378    1.1324    16.982    10.681  4.3362  8.6844  3.8087  1.997046       5.771378 
1 1 1 20  -27 21 o 11.100  4.5078  15.510    20.950    15.510    20.950    0.0000    0.0000    11.100  4.5078  ?       ?       ?              ?        
1 1 1 20  -27 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -27 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -27 24 o 7.5522  2.5893  -20.7712  14.095    -13.7343  26.209    -23.6349  16.719    8.8214  4.1755  6.2830  3.0630  2.538488       5.178508 
1 1 1 20  -27 25 o 13.226  4.7134  32.195    21.052    0.0000    0.0000    32.195    21.052    ?       ?       13.226  4.7134  ?              ?        
1 1 1 20  -27 26 o 14.855  3.0655  45.257    18.687    -26.1156  35.740    72.111    21.923    9.2822  4.5147  20.429  4.1481  -11.14657      6.130999 
1 1 1 20  -27 27 o 10.614  3.0528  9.0503    15.312    36.417    22.701    -13.7922  20.740    13.540  4.8868  7.6868  3.6603  5.853516       6.105674 
1 1 1 20  -27 28 o 16.407  3.2972  51.369    17.447    86.112    25.728    21.792    23.738    21.493  4.6076  11.322  4.7177  10.17095       6.594402 
1 1 1 20  -27 29 o 10.570  3.1068  13.579    15.487    33.049    22.674    -3.4492   21.205    12.717  4.8279  8.4226  3.9116  4.294214       6.213652 
1 1 1 20  -27 30 o 8.2348  2.7125  -12.4395  15.074    14.900    22.729    -33.9054  20.140    10.184  4.4378  6.2857  3.1203  3.898257       5.424917 
1 1 1 20  -27 31 o 10.315  3.1031  12.560    16.266    37.050    23.860    -8.7043   22.234    12.678  4.9167  7.9515  3.7874  4.726221       6.206281 
1 1 1 20  -27 32 o 10.030  3.0006  6.7960    16.722    -30.2274  23.857    42.550    23.445    6.9134  3.4256  13.147  4.9273  -6.233263      6.001108 
1 1 1 20  -27 33 o 7.8577  2.6370  -9.7689   15.741    -34.5613  22.477    14.093    22.051    6.3906  3.1921  9.3248  4.1984  -2.934151      5.274098 
1 1 1 20  -27 34 o 8.3962  2.8406  3.8904    18.093    3.0338    26.599    4.6280    24.683    8.4070  4.0411  8.3855  3.9931  0.2152157E-01  5.681126 
1 1 1 20  -26 0  o 42.079  2.4609  251.979   26.731    243.420   33.884    266.086   43.501    41.451  3.0737  42.707  3.8441  -1.255089      4.921855 
1 1 1 20  -26 1  o 22.324  2.5877  72.991    14.932    75.203    21.475    70.920    20.775    22.655  3.6641  21.993  3.6550  0.6621876      5.175398 
1 1 1 20  -26 2  o 32.766  2.1855  152.261   18.946    150.400   27.027    154.059   26.567    32.539  3.1401  32.993  3.0405  -0.4540176     4.370913 
1 1 1 20  -26 3  o 30.601  2.2514  133.228   18.180    136.377   25.857    130.150   25.566    30.974  3.1610  30.227  3.2068  0.7467461      4.502777 
1 1 1 20  -26 4  f 55.183  2.0802  427.180   30.631    434.320   43.282    420.016   43.356    55.670  2.9127  54.695  2.9706  0.9751663      4.160347 
1 1 1 20  -26 5  o 24.061  2.5284  84.395    15.547    101.992   22.251    67.611    21.731    26.758  3.1659  21.363  3.9431  5.395508       5.056794 
1 1 1 20  -26 6  o 31.497  2.2045  140.623   18.352    143.003   25.997    138.258   25.910    31.777  3.0935  31.216  3.1416  0.5618229      4.409006 
1 1 1 20  -26 7  o 12.933  3.1191  23.694    12.929    24.476    19.009    23.022    17.636    13.121  4.4929  12.746  4.3277  0.3753233      6.238155 
1 1 1 20  -26 8  o 37.860  2.1617  202.580   21.673    219.716   30.776    185.722   30.525    39.539  2.9268  36.181  3.1821  3.357864       4.323457 
1 1 1 20  -26 9  o 17.896  2.9266  47.902    13.691    53.176    20.617    43.742    18.311    18.755  4.2075  17.036  4.0689  1.719481       5.853140 
1 1 1 20  -26 10 o 9.9419  2.4916  6.1519    10.649    -19.0783  16.143    25.592    14.170    6.7439  3.2163  13.140  3.8064  -6.396063      4.983283 
1 1 1 20  -26 11 o 12.042  3.0444  19.384    12.327    21.433    18.871    17.859    16.280    12.506  4.4620  11.578  4.1429  0.9284773      6.088730 
1 1 1 20  -26 12 o 35.135  2.1504  175.136   20.032    172.370   28.484    177.842   28.177    34.830  3.0851  35.439  2.9965  -0.6088600     4.300780 
1 1 1 20  -26 13 o 13.571  2.9483  27.679    11.662    26.623    18.292    28.402    15.136    13.402  4.4048  13.740  3.9202  -0.3381710     5.896633 
1 1 1 20  -26 14 o 31.589  2.2818  143.445   18.922    161.066   27.056    126.577   26.472    33.625  3.0369  29.554  3.4065  4.071356       4.563656 
1 1 1 20  -26 15 o 9.7288  2.7397  9.0484    10.746    4.9477    16.833    11.869    13.962    9.4309  3.9545  10.027  3.7928  -0.5958271     5.479414 
1 1 1 20  -26 16 o 45.637  2.1653  297.697   26.306    308.272   37.459    287.408   36.951    46.474  3.0258  44.801  3.0983  1.672207       4.330659 
1 1 1 20  -26 17 o 13.878  3.1422  29.972    13.457    23.138    20.132    35.492    18.094    12.700  4.5992  15.057  4.2827  -2.356925      6.284434 
1 1 1 20  -26 18 o 38.772  2.2971  218.595   23.604    221.005   34.328    216.434   32.509    38.902  3.3265  38.642  3.1688  0.2593002      4.594233 
1 1 1 20  -26 19 o 24.761  2.7433  92.571    17.339    116.570   25.791    72.780    23.422    27.965  3.5213  21.556  4.2076  6.409079       5.486695 
1 1 1 20  -26 20 o 14.027  3.3180  31.189    14.549    36.647    22.329    27.162    19.178    14.888  4.8653  13.166  4.5128  1.721857       6.636023 
1 1 1 20  -26 21 o 12.872  3.1072  25.475    13.983    9.8302    21.072    37.784    18.692    10.554  4.4249  15.191  4.3634  -4.636726      6.214477 
1 1 1 20  -26 22 o 22.138  2.9937  80.399    16.928    67.732    25.092    90.979    22.933    19.975  4.7579  24.301  3.6349  -4.326176      5.987499 
1 1 1 20  -26 23 o 5.7173  2.8403  -35.7769  16.819    -35.7769  16.819    0.0000    0.0000    5.7173  2.8403  ?       ?       ?              ?        
1 1 1 20  -26 24 f 6.7295  3.2731  -25.4492  18.783    -25.4492  18.783    0.0000    0.0000    6.7295  3.2731  ?       ?       ?              ?        
1 1 1 20  -26 25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -26 26 o 16.040  4.8799  48.543    22.836    0.0000    0.0000    48.543    22.836    ?       ?       16.040  4.8799  ?              ?        
1 1 1 20  -26 27 o 17.889  4.9271  61.254    24.360    0.0000    0.0000    61.254    24.360    ?       ?       17.889  4.9271  ?              ?        
1 1 1 20  -26 28 o 29.376  2.8762  148.010   21.801    134.191   31.414    160.849   30.280    27.498  4.4145  31.253  3.6882  -3.754997      5.752454 
1 1 1 20  -26 29 o 10.306  3.0963  13.304    15.138    22.311    21.889    5.0489    20.957    11.357  4.6093  9.2550  4.1355  2.102440       6.192602 
1 1 1 20  -26 30 o 9.7433  3.0440  9.3484    15.657    5.8217    22.293    12.781    21.994    9.4019  4.2283  10.085  4.3801  -0.6828251     6.088039 
1 1 1 20  -26 31 o 8.5037  2.8081  -3.3641   15.765    -1.8321   23.023    -4.7168   21.632    8.7104  4.0555  8.2970  3.8853  0.4134035      5.616249 
1 1 1 20  -26 32 o 17.937  3.5423  76.174    20.079    45.074    29.816    101.981   27.161    13.176  5.3673  22.699  4.6243  -9.523221      7.084655 
1 1 1 20  -26 33 o 13.342  3.5268  44.296    18.728    22.364    26.964    64.738    26.032    10.564  4.7078  16.120  5.2525  -5.556529      7.053534 
1 1 1 20  -26 34 o 11.796  3.5062  39.159    18.819    37.354    26.991    40.866    26.252    11.565  4.9349  12.027  4.9821  -0.4623270     7.012496 
1 1 1 20  -26 35 o 9.4966  3.1201  19.263    18.969    29.226    28.465    11.304    25.440    10.149  4.6476  8.8438  4.1641  1.305563       6.240120 
1 1 1 20  -25 0  o 29.943  2.2245  126.716   17.562    122.965   24.973    130.387   24.703    29.466  3.2164  30.420  3.0740  -0.9544315     4.449088 
1 1 1 20  -25 1  o 18.733  2.6267  53.038    12.678    33.355    18.195    71.612    17.675    14.962  4.3073  22.503  3.0076  -7.541278      5.253413 
1 1 1 20  -25 2  o 35.648  2.1038  178.546   19.757    156.640   28.031    200.172   27.852    33.347  3.1767  37.949  2.7590  -4.602501      4.207527 
1 1 1 20  -25 3  o 62.726  2.0964  546.683   35.220    541.594   49.775    551.787   49.843    62.424  2.9769  63.028  2.9525  -0.6034966     4.192752 
1 1 1 20  -25 4  o 25.342  2.3304  91.619    15.278    105.036   21.646    78.300    21.567    27.344  3.0050  23.340  3.5627  4.004108       4.660775 
1 1 1 20  -25 5  o 7.4147  2.3076  -6.3569   9.1565    4.9484    14.091    -14.6201  12.047    8.9646  3.6751  5.8648  2.7919  3.099822       4.615280 
1 1 1 20  -25 6  o 19.386  2.7587  55.322    13.803    52.090    20.074    58.219    19.010    18.751  4.1104  20.021  3.6804  -1.270933      5.517355 
1 1 1 20  -25 7  o 35.156  2.1391  173.762   19.786    196.179   27.937    151.203   28.025    37.566  2.7966  32.747  3.2375  4.818447       4.278115 
1 1 1 20  -25 8  o 30.406  2.2467  130.329   18.026    131.660   25.675    129.034   25.315    30.558  3.1836  30.255  3.1710  0.3030148      4.493356 
1 1 1 20  -25 9  o 24.458  2.5398  86.355    15.669    113.255   22.802    62.288    21.568    28.372  3.0484  20.545  4.0633  7.826565       5.079672 
1 1 1 20  -25 10 o 30.678  2.2618  133.548   18.145    115.864   25.701    151.121   25.620    28.505  3.4354  32.851  2.9429  -4.345861      4.523550 
1 1 1 20  -25 11 o 37.590  2.1388  198.509   21.199    171.631   29.659    226.581   30.311    34.862  3.2124  40.318  2.8246  -5.455875      4.277600 
1 1 1 20  -25 12 o 22.446  2.5805  73.069    14.949    80.279    21.527    66.356    20.775    23.596  3.5132  21.296  3.7805  2.300219       5.160911 
1 1 1 20  -25 13 o 35.699  2.1543  179.788   20.342    165.549   28.774    194.016   28.763    34.199  3.1776  37.200  2.9099  -3.000496      4.308655 
1 1 1 20  -25 14 o 21.654  2.6251  68.974    14.487    86.488    20.871    52.689    20.125    24.580  3.2497  18.728  4.1236  5.852785       5.250167 
1 1 1 20  -25 15 o 34.223  2.1948  166.003   19.894    169.973   28.549    162.254   27.738    34.618  3.1122  33.827  3.0957  0.7906265      4.389685 
1 1 1 20  -25 16 o 18.633  2.8217  52.896    13.682    43.012    19.796    61.936    18.931    16.728  4.3701  20.538  3.5708  -3.810072      5.643443 
1 1 1 20  -25 17 o 15.343  3.0328  34.925    13.384    50.140    20.005    22.596    18.007    18.097  4.2069  12.590  4.3696  5.506855       6.065601 
1 1 1 20  -25 18 o 25.777  2.4560  96.601    16.424    111.097   24.141    84.110    22.409    27.679  3.3226  23.874  3.6177  3.805069       4.911961 
1 1 1 20  -25 19 o 23.221  2.7483  80.642    16.425    92.284    24.260    70.788    22.318    24.866  3.7598  21.575  4.0096  3.291378       5.496600 
1 1 1 20  -25 20 o 14.015  3.1439  29.539    13.412    40.070    20.309    21.394    17.861    15.837  4.5481  12.193  4.3419  3.644361       6.287878 
1 1 1 20  -25 21 o 28.187  2.5053  118.818   18.374    112.618   26.899    124.242   25.159    27.296  3.7807  29.077  3.2881  -1.781546      5.010531 
1 1 1 20  -25 22 o 20.745  3.0205  68.309    16.365    96.154    24.090    44.445    22.301    25.164  3.6830  16.326  4.7884  8.838249       6.041006 
1 1 1 20  -25 23 o 10.195  2.9585  9.6319    12.941    15.243    19.352    5.0930    17.406    11.065  4.3868  9.3263  3.9709  1.738302       5.917094 
1 1 1 20  -25 24 o 18.402  3.5134  59.067    17.606    57.656    23.292    60.947    26.892    18.373  4.7108  18.431  5.2137  -0.5880165E-01 7.026716 
1 1 1 20  -25 25 o 17.573  4.7653  54.239    22.995    54.239    22.995    0.0000    0.0000    17.573  4.7653  ?       ?       ?              ?        
1 1 1 20  -25 26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -25 27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -25 28 o 9.0175  4.0185  2.7724    19.645    0.0000    0.0000    2.7724    19.645    ?       ?       9.0175  4.0185  ?              ?        
1 1 1 20  -25 29 o 12.836  3.3949  31.095    15.811    37.038    22.868    25.652    21.883    13.699  4.9093  11.973  4.6905  1.725897       6.789847 
1 1 1 20  -25 30 o 9.9008  3.0588  9.6263    15.483    16.459    22.234    3.1925    21.575    10.641  4.5076  9.1608  4.1361  1.480063       6.117644 
1 1 1 20  -25 31 o 9.9498  3.1147  10.440    16.400    9.9897    23.990    10.835    22.472    9.9760  4.4435  9.9236  4.3660  0.5240822E-01  6.229499 
1 1 1 20  -25 32 o 14.098  3.6663  45.753    18.259    43.438    26.862    47.742    24.894    13.652  5.2376  14.545  5.1317  -0.8927088     7.332537 
1 1 1 20  -25 33 o 18.624  3.5607  80.786    20.452    48.052    29.464    111.224   28.412    13.552  5.4002  23.696  4.6425  -10.14376      7.121440 
1 1 1 20  -25 34 o 8.4884  2.7858  -7.1635   16.171    21.675    23.351    -33.7366  22.415    10.441  4.5240  6.5358  3.2522  3.905202       5.571695 
1 1 1 20  -25 35 o 9.4001  3.0514  12.935    17.767    24.520    25.242    1.5603    25.012    10.302  4.5751  8.4983  4.0390  1.803604       6.102819 
1 1 1 20  -24 0  o 55.181  2.0529  421.169   30.241    446.872   43.000    396.015   42.539    56.933  2.8198  53.430  2.9844  3.503338       4.105790 
1 1 1 20  -24 1  o 13.938  2.7217  27.653    10.704    36.865    15.787    19.813    14.563    15.891  3.7666  11.986  3.9298  3.905152       5.443389 
1 1 1 20  -24 2  o 11.515  2.4797  16.375    9.9774    -2.2965   14.720    32.245    13.570    8.1069  3.5509  14.923  3.4621  -6.815790      4.959343 
1 1 1 20  -24 3  o 48.869  2.0057  329.923   26.129    339.657   36.885    320.120   37.018    49.620  2.7866  48.117  2.8856  1.503082       4.011445 
1 1 1 20  -24 4  o 41.904  1.9995  242.646   22.309    239.228   31.365    246.146   31.737    41.602  2.8316  42.205  2.8238  -0.6033173     3.998935 
1 1 1 20  -24 5  o 54.139  2.0318  404.657   29.360    426.131   41.434    383.001   41.610    55.670  2.7788  52.607  2.9651  3.062187       4.063641 
1 1 1 20  -24 6  o 30.511  2.1827  130.051   17.576    133.117   24.581    126.845   25.141    30.914  3.0067  30.109  3.1648  0.8053741      4.365368 
1 1 1 20  -24 7  o 10.346  2.1389  4.2711    9.7129    -31.2118  14.481    33.286    13.095    5.4880  2.7101  15.203  3.3097  -9.715155      4.277713 
1 1 1 20  -24 8  o 13.784  2.8386  27.157    11.216    33.428    16.416    21.668    15.359    15.104  3.9959  12.463  4.0327  2.641128       5.677182 
1 1 1 20  -24 9  o 43.865  2.0171  266.300   23.570    268.394   33.260    264.189   33.406    44.048  2.8341  43.683  2.8711  0.3658218      4.034256 
1 1 1 20  -24 10 o 32.183  2.1465  144.754   18.225    157.206   25.842    132.432   25.706    33.630  2.8971  30.736  3.1680  2.894253       4.292935 
1 1 1 20  -24 11 f 33.963  2.1140  160.998   18.986    173.480   26.922    148.648   26.779    35.335  2.8694  32.591  3.1052  2.744423       4.227972 
1 1 1 20  -24 12 o 33.251  2.1517  154.663   18.935    152.784   27.213    156.427   26.363    33.021  3.1136  33.481  2.9707  -0.4597511     4.303376 
1 1 1 20  -24 13 o 12.936  2.8639  23.889    11.008    25.858    16.234    22.213    14.978    13.368  4.1231  12.504  3.9757  0.8639374      5.727704 
1 1 1 20  -24 14 o 26.067  2.3117  96.300    15.761    103.325   22.700    89.763    21.899    27.026  3.1979  25.108  3.3392  1.918709       4.623501 
1 1 1 20  -24 15 o 30.504  2.2269  132.708   17.622    109.610   25.176    154.898   24.676    27.685  3.4714  33.323  2.7903  -5.638390      4.453768 
1 1 1 20  -24 16 o 7.8516  2.4517  -2.6952   10.044    -5.7696   15.660    -0.5469   13.091    7.8832  3.5448  7.8201  3.3879  0.6306744E-01  4.903359 
1 1 1 20  -24 17 o 20.565  2.6067  61.488    13.781    70.991    20.465    53.602    18.642    22.086  3.5821  19.044  3.7879  3.041677       5.213369 
1 1 1 20  -24 18 o 35.506  2.1779  178.587   20.499    181.745   29.499    175.638   28.508    35.794  3.1077  35.219  3.0522  0.5757523      4.355883 
1 1 1 20  -24 19 o 32.869  2.2001  154.352   19.083    146.609   27.467    161.578   26.532    31.974  3.2524  33.765  2.9637  -1.790808      4.400174 
1 1 1 20  -24 20 o 12.101  2.9527  18.209    12.494    33.152    18.354    5.3057    17.055    14.667  4.3554  9.5344  3.9880  5.132629       5.905449 
1 1 1 20  -24 21 o 40.043  2.1635  229.705   23.015    229.300   33.072    230.085   32.049    39.962  3.1143  40.124  3.0039  -0.1615829     4.326953 
1 1 1 20  -24 22 o 29.202  2.3853  125.001   18.298    131.654   26.468    118.909   25.324    29.966  3.3552  28.439  3.3915  1.527075       4.770700 
1 1 1 20  -24 23 o 17.169  3.1668  48.258    14.921    39.041    21.918    56.218    20.369    15.424  4.7965  18.913  4.1361  -3.489625      6.333544 
1 1 1 20  -24 24 o 27.412  2.5564  113.906   18.283    112.093   26.385    115.580   25.357    27.097  3.7347  27.727  3.4918  -0.6297207     5.112769 
1 1 1 20  -24 25 o 9.7381  2.8984  5.7385    13.332    -4.2178   19.154    15.095    18.568    8.5749  3.8820  10.901  4.3049  -2.326563      5.796707 
1 1 1 20  -24 26 o 20.541  4.5981  71.565    24.667    71.565    24.667    0.0000    0.0000    20.541  4.5981  ?       ?       ?              ?        
1 1 1 20  -24 27 o 14.439  4.0353  36.941    20.114    35.477    22.136    43.873    48.166    14.083  4.8472  14.794  6.4530  -0.7107658     8.070686 
1 1 1 20  -24 28 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -24 29 o 22.814  4.3793  90.768    25.787    0.0000    0.0000    90.768    25.787    ?       ?       22.814  4.3793  ?              ?        
1 1 1 20  -24 30 o 23.912  3.1521  101.867   19.424    105.286   28.283    98.815    26.723    24.202  4.5294  23.622  4.3849  0.5798340      6.304238 
1 1 1 20  -24 31 o 9.6927  3.0346  6.8400    15.731    15.774    22.896    -1.1488   21.651    10.606  4.5360  8.7793  4.0323  1.826759       6.069187 
1 1 1 20  -24 32 o 9.2912  2.9790  3.8436    16.107    -0.8322   23.062    8.2963    22.505    8.9164  4.1192  9.6661  4.3048  -0.7497587     5.958101 
1 1 1 20  -24 33 o 10.024  3.1740  10.987    17.558    18.546    25.834    4.4983    23.936    10.733  4.7027  9.3147  4.2641  1.418722       6.348016 
1 1 1 20  -24 34 o 9.4876  3.0274  4.9816    16.930    25.752    24.844    -13.0258  23.133    11.178  4.7514  7.7973  3.7530  3.380584       6.054802 
1 1 1 20  -24 35 o 7.7005  2.6384  -19.9375  17.239    6.3801    24.400    -46.1680  24.359    9.0359  4.1963  6.3651  3.1993  2.670732       5.276772 
1 1 1 20  -24 36 o 9.5654  3.1116  11.197    19.790    38.032    27.252    -18.7434  28.785    11.394  4.9121  7.7372  3.8208  3.656492       6.223127 
1 1 1 20  -23 0  o 72.792  2.1675  730.142   42.250    718.050   60.055    741.993   59.452    72.167  3.1069  73.416  3.0233  -1.249115      4.335083 
1 1 1 20  -23 1  o 20.945  2.3804  61.820    12.790    74.566    18.750    50.726    17.492    23.075  3.1132  18.816  3.6019  4.258066       4.760844 
1 1 1 20  -23 2  f 29.146  2.0926  118.125   16.034    106.944   22.752    129.155   22.599    27.704  3.1205  30.587  2.7890  -2.883823      4.185265 
1 1 1 20  -23 3  o 53.669  1.9847  395.715   28.419    383.088   40.167    408.371   40.215    52.788  2.8514  54.550  2.7614  -1.762020      3.969365 
1 1 1 20  -23 4  o 48.077  1.9948  318.797   25.456    349.924   35.826    287.057   36.178    50.533  2.6562  45.622  2.9769  4.911438       3.989697 
1 1 1 20  -23 5  o 19.768  2.5266  56.066    12.823    47.235    18.145    64.877    18.125    18.075  3.8649  21.461  3.2552  -3.385548      5.053113 
1 1 1 20  -23 6  o 34.103  2.0479  160.962   18.468    174.407   26.077    147.434   26.158    35.592  2.7569  32.614  3.0290  2.978386       4.095751 
1 1 1 20  -23 7  o 30.102  2.1602  125.846   17.159    119.141   24.054    132.794   24.485    29.256  3.1177  30.948  2.9911  -1.692020      4.320472 
1 1 1 20  -23 8  o 50.709  1.9988  353.678   27.040    349.010   38.111    358.410   38.370    50.366  2.8366  51.051  2.8170  -0.6849709     3.997691 
1 1 1 20  -23 9  o 62.009  2.0569  528.798   34.127    554.514   48.167    502.878   48.359    63.566  2.8290  60.451  2.9866  3.115341       4.113791 
1 1 1 20  -23 10 f 40.275  2.0197  223.839   21.645    220.298   30.439    227.462   30.785    39.948  2.8638  40.602  2.8488  -0.6537857     4.039412 
1 1 1 20  -23 11 o 38.356  2.0311  203.451   20.703    196.762   29.369    210.058   29.187    37.701  2.9314  39.011  2.8122  -1.309582      4.062214 
1 1 1 20  -23 12 o 19.077  2.6407  52.485    13.004    56.560    18.755    48.713    18.047    19.828  3.6665  18.326  3.8012  1.502041       5.281312 
1 1 1 20  -23 13 o 30.208  2.1244  127.067   16.938    135.762   24.337    118.899   23.588    31.241  2.9431  29.174  3.0644  2.066986       4.248805 
1 1 1 20  -23 14 o 20.746  2.5720  61.976    13.618    78.859    19.810    46.849    18.752    23.630  3.2132  17.862  4.0169  5.768620       5.143966 
1 1 1 20  -23 15 o 26.569  2.3714  101.484   16.135    83.265    23.387    118.032   22.289    24.049  3.7532  29.088  2.8994  -5.038868      4.742702 
1 1 1 20  -23 16 o 39.126  2.0891  212.949   21.690    231.252   31.400    196.245   29.997    40.769  2.8943  37.482  3.0133  3.286617       4.178186 
1 1 1 20  -23 17 o 15.535  2.8821  36.816    12.742    21.738    19.021    49.092    17.163    12.717  4.4858  18.353  3.6199  -5.636411      5.764211 
1 1 1 20  -23 18 o 21.096  2.6236  65.708    14.125    57.834    20.955    72.266    19.123    19.716  4.1016  22.476  3.2724  -2.760433      5.247117 
1 1 1 20  -23 19 o 22.837  2.5412  75.640    15.009    78.497    21.950    73.131    20.569    23.222  3.6493  22.452  3.5375  0.7696991      5.082432 
1 1 1 20  -23 20 o 46.801  2.0680  307.802   25.775    323.784   36.956    292.664   35.967    48.016  2.8870  45.587  2.9617  2.428703       4.135954 
1 1 1 20  -23 21 o 37.912  2.1418  204.910   21.444    185.677   30.723    223.179   29.944    36.024  3.2180  39.800  2.8273  -3.775879      4.283569 
1 1 1 20  -23 22 o 6.9443  2.2849  -12.0712  10.418    -5.9799   14.831    -18.0046  14.637    7.5433  3.4153  6.3453  3.0362  1.197951       4.569789 
1 1 1 20  -23 23 o 18.973  2.9830  55.810    14.768    61.288    21.469    50.890    20.347    19.911  4.1596  18.036  4.2768  1.875494       5.966006 
1 1 1 20  -23 24 o 25.064  2.6341  95.076    17.045    88.539    24.730    100.993   23.526    24.037  3.9804  26.091  3.4511  -2.054058      5.268163 
1 1 1 20  -23 25 f 19.282  3.0375  59.305    15.387    73.551    22.405    46.586    21.169    21.730  3.9966  16.833  4.5753  4.897228       6.075060 
1 1 1 20  -23 26 o 8.3865  2.6282  -4.8744   12.406    8.3887    17.370    -18.6866  17.726    9.7550  4.0477  7.0179  3.3534  2.737092       5.256333 
1 1 1 20  -23 27 o 17.602  4.8435  54.232    23.553    54.232    23.553    0.0000    0.0000    17.602  4.8435  ?       ?       ?              ?        
1 1 1 20  -23 28 o 10.849  3.4900  4.5696    18.242    2.6770    20.374    12.220    40.963    9.3437  4.1318  12.354  5.6257  -3.010409      6.979937 
1 1 1 20  -23 29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -23 30 o 17.098  4.8844  55.590    23.483    0.0000    0.0000    55.590    23.483    ?       ?       17.098  4.8844  ?              ?        
1 1 1 20  -23 31 o 9.4007  2.8992  1.5347    15.048    -19.6344  21.738    21.015    20.853    7.5177  3.6232  11.284  4.5270  -3.766079      5.798422 
1 1 1 20  -23 32 o 28.354  3.1686  145.594   23.237    146.674   33.640    144.609   32.136    28.260  4.6026  28.448  4.3562  -0.1878414     6.337204 
1 1 1 20  -23 33 f 7.6273  2.5791  -16.8000  15.081    -30.4661  21.080    -2.4717   21.584    6.6910  3.2977  8.5637  3.9664  -1.872693      5.158189 
1 1 1 20  -23 34 o 8.5059  2.8324  -5.0559   16.639    -2.5798   24.021    -7.3399   23.071    8.7371  4.0923  8.2747  3.9170  0.4623938      5.664769 
1 1 1 20  -23 35 o 8.7704  2.7443  7.8744    12.650    -8.5466   25.958    12.988    14.486    8.3834  4.0198  9.1574  3.7370  -0.7740412     5.488507 
1 1 1 20  -23 36 o 8.0933  2.5671  5.3519    11.569    -15.9083  25.133    11.068    13.032    7.6562  3.7375  8.5304  3.5200  -0.8741784     5.134174 
1 1 1 20  -23 37 o 8.8611  2.8109  13.084    13.343    4.8732    28.267    15.438    15.135    8.6901  4.1743  9.0321  3.7655  -0.3419228     5.621716 
1 1 1 20  -22 0  o 11.059  2.6615  15.273    9.6467    21.271    13.910    9.7162    13.390    12.354  3.8177  9.7644  3.7093  2.590053       5.322977 
1 1 1 20  -22 1  o 12.356  2.5593  21.596    9.4601    12.371    14.067    29.214    12.783    10.426  3.8339  14.286  3.3913  -3.859709      5.118544 
1 1 1 20  -22 2  o 30.656  2.0120  129.464   16.331    131.785   23.121    127.154   23.069    30.940  2.8210  30.373  2.8697  0.5671177      4.024066 
1 1 1 20  -22 3  o 46.235  1.9335  292.907   23.763    265.556   33.395    320.961   33.821    43.997  2.8491  48.474  2.6146  -4.476738      3.866964 
1 1 1 20  -22 4  o 8.6744  2.5058  4.1763    9.1782    5.1955    13.734    3.3538    12.338    9.0188  3.6543  8.3301  3.4297  0.6886282      5.011640 
1 1 1 20  -22 5  o 45.691  1.9314  285.803   23.501    268.357   32.985    303.788   33.491    44.246  2.7977  47.136  2.6636  -2.890129      3.862869 
1 1 1 20  -22 6  o 48.083  1.9500  316.703   24.970    295.621   35.109    338.283   35.521    46.427  2.8369  49.738  2.6761  -3.311031      3.899904 
1 1 1 20  -22 7  o 13.847  3.5711  27.505    13.331    0.0000    0.0000    27.505    13.331    ?       ?       13.847  3.5711  ?              ?        
1 1 1 20  -22 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -22 9  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -22 10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -22 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -22 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -22 13 o 56.612  2.8710  441.107   43.392    0.0000    0.0000    441.107   43.392    ?       ?       56.612  2.8710  ?              ?        
1 1 1 20  -22 14 o 12.773  2.6785  21.799    10.266    33.889    15.401    12.130    13.773    15.270  3.7846  10.276  3.7913  4.993903       5.356959 
1 1 1 20  -22 15 o 39.206  2.0286  213.025   21.104    203.355   30.398    222.021   29.321    38.289  2.9877  40.123  2.7449  -1.833736      4.057156 
1 1 1 20  -22 16 o 22.604  2.4084  72.693    14.077    71.673    20.699    73.571    19.200    22.391  3.5714  22.817  3.2320  -0.4266376     4.816717 
1 1 1 20  -22 17 o 14.979  2.6948  33.351    12.013    12.178    17.570    51.940    16.463    10.911  4.2226  19.046  3.3493  -8.134894      5.389674 
1 1 1 20  -22 18 o 56.599  2.0650  444.828   31.194    448.430   44.574    441.371   43.668    56.811  2.9394  56.387  2.9011  0.4237633      4.129965 
1 1 1 20  -22 19 o 27.017  2.4080  106.364   16.394    79.115    23.560    131.938   22.825    23.283  3.9171  30.751  2.8020  -7.468508      4.816066 
1 1 1 20  -22 20 o 35.079  2.0803  172.464   19.357    176.635   27.885    168.584   26.892    35.480  2.9613  34.678  2.9225  0.8026314      4.160551 
1 1 1 20  -22 21 o 20.422  2.7642  67.136    14.869    23.914    21.399    107.479   20.674    13.208  4.7474  27.636  2.8331  -14.42719      5.528444 
1 1 1 20  -22 22 o 37.799  2.0901  201.810   20.981    203.636   30.216    200.110   29.157    37.937  2.9980  37.661  2.9131  0.2758675      4.180171 
1 1 1 20  -22 23 o 48.699  2.1030  336.276   27.296    336.789   38.973    335.783   38.241    48.711  3.0017  48.688  2.9463  0.2298355E-01  4.206043 
1 1 1 20  -22 24 o 23.394  2.6843  82.576    15.804    109.567   22.879    57.943    21.857    27.517  3.1615  19.270  4.3391  8.247358       5.368696 
1 1 1 20  -22 25 o 28.570  2.4148  120.269   18.098    126.469   26.072    114.503   25.142    29.310  3.3831  27.829  3.4467  1.480558       4.829647 
1 1 1 20  -22 26 o 12.496  3.1540  22.657    13.650    31.418    19.719    14.597    18.914    13.983  4.5723  11.009  4.3456  2.974350       6.307901 
1 1 1 20  -22 27 o 8.1814  2.6499  -7.5035   13.167    -11.9641  18.727    -3.1425   18.517    7.7919  3.6378  8.5709  3.8542  -0.7789655     5.299828 
1 1 1 20  -22 28 o 21.383  4.5183  76.554    25.067    76.554    25.067    0.0000    0.0000    21.383  4.5183  ?       ?       ?              ?        
1 1 1 20  -22 29 o 10.282  3.2023  4.8912    16.358    15.962    27.723    -1.0219   20.261    11.626  4.9824  8.9379  4.0243  2.688571       6.404602 
1 1 1 20  -22 30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -22 31 o 14.043  3.5265  37.659    17.174    50.348    24.732    25.844    23.865    15.914  5.1141  12.172  4.8570  3.742449       7.052974 
1 1 1 20  -22 32 o 9.1344  2.9547  0.0478    16.208    0.3363    23.255    -0.2246   22.601    9.2037  4.2095  9.0651  4.1474  0.1385555      5.909398 
1 1 1 20  -22 33 o 20.200  3.2980  82.951    17.007    64.716    30.789    90.959    20.402    16.614  5.7166  23.787  3.2903  -7.173067      6.595933 
1 1 1 20  -22 34 o 6.0095  2.0962  -21.0717  10.839    -45.5722  22.852    -13.9603  12.311    6.3684  3.1866  5.6506  2.7242  0.7178311      4.192310 
1 1 1 20  -22 35 o 9.5900  3.0037  6.6721    13.070    28.703    26.741    -0.2426   14.981    11.646  4.9389  7.5343  3.4197  4.111538       6.007307 
1 1 1 20  -22 36 o 14.304  3.0678  50.128    15.842    16.966    30.548    62.328    18.528    10.269  4.7430  18.339  3.8924  -8.070032      6.135690 
1 1 1 20  -22 37 o 14.211  3.5943  55.121    17.288    60.022    32.478    53.183    20.422    13.217  5.5137  15.205  4.6123  -1.987560      7.188518 
1 1 1 20  -21 0  o 27.013  2.0545  100.926   14.567    109.686   20.495    91.983    20.707    28.256  2.7426  25.770  3.0597  2.485804       4.108970 
1 1 1 20  -21 1  o 24.710  2.0375  84.397    13.210    79.594    18.683    89.200    18.681    23.973  2.9734  25.446  2.7864  -1.473209      4.074977 
1 1 1 20  -21 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -21 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -21 4  o 16.535  4.7752  39.399    22.331    39.399    22.331    0.0000    0.0000    16.535  4.7752  ?       ?       ?              ?        
1 1 1 20  -21 5  o 55.803  2.2975  426.033   32.785    422.202   40.853    432.964   54.948    55.690  2.7388  55.916  3.6896  -0.2264824     4.595011 
1 1 1 20  -21 6  o 15.183  2.6043  32.465    10.733    45.258    15.804    21.512    14.623    17.872  3.4261  12.494  3.9231  5.377290       5.208568 
1 1 1 20  -21 7  o 28.568  2.0102  112.493   15.125    122.606   21.449    102.491   21.330    29.894  2.7082  27.242  2.9714  2.652122       4.020370 
1 1 1 20  -21 8  o 32.482  1.9580  145.118   16.814    157.037   23.681    133.001   23.877    33.877  2.6304  31.087  2.9011  2.790350       3.916012 
1 1 1 20  -21 9  o 44.946  1.9337  276.362   23.155    265.423   32.711    287.348   32.781    44.033  2.7879  45.859  2.6804  -1.825993      3.867413 
1 1 1 20  -21 10 o 47.301  1.9500  306.254   24.590    300.192   34.979    312.177   34.574    46.821  2.8021  47.782  2.7127  -0.9612122     3.900038 
1 1 1 20  -21 11 o 28.709  2.0725  113.811   15.698    114.732   22.735    112.972   21.702    28.803  2.9905  28.615  2.8703  0.1881332      4.145057 
1 1 1 20  -21 12 o 13.821  2.6275  27.038    10.015    33.375    14.740    21.605    13.649    15.229  3.6592  12.413  3.7718  2.816383       5.255100 
1 1 1 20  -21 13 o 29.087  2.0884  117.573   15.959    107.583   22.914    126.985   22.241    27.813  3.1303  30.360  2.7653  -2.547352      4.176805 
1 1 1 20  -21 14 o 16.136  2.6411  37.298    11.443    51.965    16.707    24.337    15.705    19.131  3.3842  13.141  4.0558  5.989661       5.282262 
1 1 1 20  -21 15 f 30.448  4.5320  134.064   35.834    134.064   35.834    0.0000    0.0000    30.448  4.5320  ?       ?       ?              ?        
1 1 1 20  -21 16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -21 17 o 36.810  2.8147  187.276   27.541    0.0000    0.0000    187.276   27.541    ?       ?       36.810  2.8147  ?              ?        
1 1 1 20  -21 18 f 48.353  2.0151  323.530   25.953    310.797   36.986    335.880   36.427    47.369  2.9295  49.336  2.7677  -1.967445      4.030169 
1 1 1 20  -21 19 o 12.510  2.8389  20.941    11.203    30.932    16.338    12.073    15.392    14.516  4.0490  10.505  3.9803  4.011095       5.677773 
1 1 1 20  -21 20 o 36.353  2.0508  184.066   19.723    205.478   28.382    164.069   27.429    38.468  2.7731  34.238  3.0219  4.230255       4.101516 
1 1 1 20  -21 21 o 24.050  2.5197  83.710    15.171    113.594   22.175    57.416    20.800    28.431  2.9552  19.669  4.0819  8.761923       5.039345 
1 1 1 20  -21 22 o 36.391  2.0875  185.947   20.148    198.214   28.918    174.374   28.089    37.596  2.8939  35.186  3.0093  2.410141       4.174980 
1 1 1 20  -21 23 o 28.501  2.3129  117.026   17.204    106.422   24.857    126.775   23.834    27.106  3.5058  29.896  3.0178  -2.789072      4.625761 
1 1 1 20  -21 24 o 9.5427  2.7878  6.1808    11.599    4.5755    16.628    7.7019    16.187    9.3561  3.9272  9.7293  3.9580  -0.3731537     5.575688 
1 1 1 20  -21 25 o 12.916  2.8282  20.386    12.889    45.289    18.744    -1.9535   17.753    17.105  4.1365  8.7263  3.8579  8.378743       5.656367 
1 1 1 20  -21 26 o 10.833  3.0086  12.852    13.109    5.0605    19.148    19.726    17.986    9.7999  4.1686  11.866  4.3394  -2.066029      6.017276 
1 1 1 20  -21 27 o 31.781  2.4760  151.555   20.584    139.829   29.780    162.283   28.485    30.362  3.7410  33.199  3.2448  -2.836807      4.952093 
1 1 1 20  -21 28 o 12.662  3.8102  18.093    19.100    17.174    21.214    22.025    43.883    11.515  4.5843  13.809  6.0873  -2.294112      7.620430 
1 1 1 20  -21 29 o 13.914  4.9113  33.417    22.804    33.417    22.804    0.0000    0.0000    13.914  4.9113  ?       ?       ?              ?        
1 1 1 20  -21 30 o 11.939  5.0244  19.550    27.334    19.550    27.334    0.0000    0.0000    11.939  5.0244  ?       ?       ?              ?        
1 1 1 20  -21 31 o 9.4408  4.3901  -5.6863   26.846    0.0000    0.0000    -5.6863   26.846    ?       ?       9.4408  4.3901  ?              ?        
1 1 1 20  -21 32 o 19.554  3.2406  70.055    15.770    68.305    28.774    70.806    18.854    18.133  5.4691  20.975  3.4777  -2.842520      6.481174 
1 1 1 20  -21 33 o 9.5725  2.6006  9.3502    12.150    -33.8573  23.285    25.516    14.243    7.0279  3.4642  12.117  3.8796  -5.089066      5.201109 
1 1 1 20  -21 34 o 7.8452  2.6444  -14.8198  12.801    8.0101    24.995    -22.9365  14.903    9.9385  4.4727  5.7518  2.8225  4.186702       5.288835 
1 1 1 20  -21 35 o 10.923  3.1004  21.600    13.961    11.092    27.035    25.422    16.303    10.173  4.6080  11.673  4.1492  -1.500195      6.200745 
1 1 1 20  -21 36 o 11.333  3.2466  24.683    14.026    32.329    28.179    22.164    16.172    11.839  5.0469  10.828  4.0854  1.010839       6.493175 
1 1 1 20  -21 37 o 7.1626  2.4137  -4.3468   10.494    -5.7435   23.379    -3.9945   11.743    8.0633  3.8525  6.2619  2.9091  1.801465       4.827446 
1 1 1 20  -21 38 o 11.476  3.2364  36.502    16.135    24.868    31.592    40.608    18.767    10.005  4.6885  12.947  4.4627  -2.941865      6.472833 
1 1 1 20  -20 0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -20 1  o 21.707  2.0819  65.956    11.579    53.387    16.453    78.291    16.298    19.522  3.2615  23.892  2.5882  -4.369898      4.163703 
1 1 1 20  -20 2  f 58.316  1.9404  461.918   30.306    470.374   42.887    453.485   42.831    58.856  2.7205  57.776  2.7677  1.080135       3.880860 
1 1 1 20  -20 3  o 39.090  1.8697  208.289   19.454    211.809   27.307    204.661   27.722    39.439  2.5996  38.742  2.6881  0.6961250      3.739469 
1 1 1 20  -20 4  o 69.772  2.0563  662.234   38.426    650.899   54.240    673.655   54.447    69.166  2.9278  70.379  2.8883  -1.213448      4.112700 
1 1 1 20  -20 5  f 14.846  2.6437  31.403    10.503    32.732    15.135    30.169    14.586    15.143  3.7509  14.548  3.7267  0.5955791      5.287482 
1 1 1 20  -20 6  o 13.579  2.4040  26.456    9.3685    12.114    13.523    39.691    12.991    10.322  3.7646  16.835  2.9906  -6.512059      4.807929 
1 1 1 20  -20 7  o 15.076  2.6214  32.515    10.522    30.248    15.143    34.632    14.632    14.562  3.8308  15.591  3.5794  -1.028585      5.242859 
1 1 1 20  -20 8  o 21.425  2.2419  63.941    12.474    65.843    17.760    62.088    17.524    21.753  3.1390  21.096  3.2018  0.6568527      4.483876 
1 1 1 20  -20 9  o 77.689  2.1820  825.161   45.315    770.240   64.334    879.239   63.839    75.064  3.1998  80.314  2.9676  -5.249619      4.364082 
1 1 1 20  -20 10 o 52.837  1.9520  380.875   27.523    378.728   39.246    382.953   38.609    52.680  2.7914  52.995  2.7293  -0.3153343     3.903932 
1 1 1 20  -20 11 o 26.992  2.0573  100.197   14.614    108.007   21.238    93.174    20.140    28.009  2.8715  25.975  2.9470  2.034510       4.114643 
1 1 1 20  -20 12 o 14.415  2.7100  29.929    10.680    26.471    15.692    32.912    14.576    13.673  4.0186  15.156  3.6369  -1.483194      5.420002 
1 1 1 20  -20 13 o 14.125  2.6417  28.012    10.189    35.086    15.322    22.403    13.644    15.628  3.7149  12.621  3.7568  3.007213       5.283402 
1 1 1 20  -20 14 o 24.534  2.2011  83.390    14.093    92.347    20.714    75.671    19.230    25.788  3.0585  23.280  3.1662  2.508099       4.402148 
1 1 1 20  -20 15 o 15.991  2.6570  36.920    11.140    36.310    16.711    37.409    14.944    15.836  3.9524  16.146  3.5520  -0.3102942     5.313913 
1 1 1 20  -20 16 o 14.603  2.6881  31.303    10.751    24.269    16.096    36.969    14.447    13.151  4.1138  16.056  3.4612  -2.904913      5.376206 
1 1 1 20  -20 17 o 36.651  1.9901  186.214   19.246    164.978   27.535    206.502   26.913    34.510  3.0089  38.791  2.6053  -4.280338      3.980123 
1 1 1 20  -20 18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -20 19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -20 20 o 39.446  1.9840  215.254   20.806    228.076   29.893    203.206   28.976    40.608  2.7648  38.284  2.8461  2.324100       3.967948 
1 1 1 20  -20 21 o 36.217  2.0555  182.570   19.619    211.806   28.345    155.681   27.184    39.099  2.7235  33.335  3.0793  5.763836       4.110925 
1 1 1 20  -20 22 o 28.553  2.3041  117.189   16.928    95.777    24.421    136.992   23.486    25.789  3.6364  31.316  2.8305  -5.527794      4.608155 
1 1 1 20  -20 23 o 21.943  2.5780  69.848    14.579    78.378    21.302    62.332    19.995    23.278  3.5270  20.608  3.7610  2.669968       5.156045 
1 1 1 20  -20 24 o 10.231  2.8634  10.003    11.732    6.2467    17.187    13.280    16.053    9.7654  4.0371  10.697  4.0619  -0.9311581     5.726892 
1 1 1 20  -20 25 o 11.894  3.0432  19.124    12.463    18.620    17.910    19.597    17.355    11.833  4.3299  11.955  4.2775  -0.1228352     6.086455 
1 1 1 20  -20 26 o 51.575  2.1768  381.099   29.899    368.614   42.753    393.050   41.828    50.648  3.1674  52.501  2.9868  -1.853149      4.353548 
1 1 1 20  -20 27 o 15.815  3.3160  40.578    15.065    39.063    21.351    42.080    21.259    15.523  4.7177  16.108  4.6613  -0.5849705     6.632075 
1 1 1 20  -20 28 f 24.179  2.9585  91.810    18.451    97.897    26.608    86.172    25.608    25.023  4.1129  23.335  4.2539  1.687733       5.917034 
1 1 1 20  -20 29 o 24.826  4.4076  100.207   28.235    100.207   28.235    0.0000    0.0000    24.826  4.4076  ?       ?       ?              ?        
1 1 1 20  -20 30 o 7.3956  3.5080  -15.6222  18.689    -15.6222  18.689    0.0000    0.0000    7.3956  3.5080  ?       ?       ?              ?        
1 1 1 20  -20 31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -20 32 f 9.4103  3.2302  -6.1152   10.827    25.702    43.178    -8.2501   11.184    12.872  5.8278  5.9485  2.7881  6.923688       6.460418 
1 1 1 20  -20 33 o 14.195  3.3844  33.305    13.976    56.765    26.907    24.637    16.356    16.497  5.3377  11.894  4.1623  4.603277       6.768749 
1 1 1 20  -20 34 o 6.9156  2.3476  -11.3206  11.054    -24.4854  23.208    -7.4571   12.572    7.4644  3.6323  6.3669  2.9752  1.097535       4.695261 
1 1 1 20  -20 35 o 10.317  3.1111  13.229    13.381    25.186    26.805    9.2602    15.443    11.662  4.9452  8.9725  3.7763  2.689396       6.222219 
1 1 1 20  -20 36 o 17.327  3.6389  60.703    16.697    83.674    32.051    52.147    19.561    18.262  5.8169  16.393  4.3738  1.868502       7.277859 
1 1 1 20  -20 37 o 11.895  3.0903  32.069    15.655    -0.4591   30.422    43.786    18.259    9.1967  4.3942  14.594  4.3464  -5.397250      6.180636 
1 1 1 20  -20 38 o 8.1164  2.7427  -5.1186   13.651    20.411    27.616    -13.3746  15.705    9.9755  4.5715  6.2573  3.0315  3.718248       5.485356 
1 1 1 20  -19 0  o 37.121  1.8518  187.571   18.282    180.259   25.878    194.856   25.830    36.382  2.6743  37.859  2.5623  -1.476692      3.703694 
1 1 1 20  -19 1  o 29.277  1.8904  117.056   14.655    120.166   20.699    113.930   20.753    29.679  2.6311  28.875  2.7151  0.8036499      3.780792 
1 1 1 20  -19 2  o 58.186  1.9105  458.586   29.774    453.769   42.071    463.419   42.144    57.877  2.7139  58.495  2.6899  -0.6179886     3.821070 
1 1 1 20  -19 3  o 48.473  1.8756  318.990   24.257    314.359   34.130    323.717   34.482    48.115  2.6586  48.831  2.6462  -0.7161369     3.751107 
1 1 1 20  -19 4  o 50.419  1.8784  345.121   25.271    347.447   35.408    342.707   36.079    50.601  2.6214  50.236  2.6911  0.3648605      3.756841 
1 1 1 20  -19 5  o 34.547  1.9210  162.748   17.619    168.293   24.765    157.066   25.071    35.162  2.6490  33.933  2.7829  1.228512       3.842082 
1 1 1 20  -19 6  o 60.497  1.9424  496.104   31.449    470.815   44.321    521.745   44.630    58.928  2.8080  62.066  2.6846  -3.138058      3.884869 
1 1 1 20  -19 7  o 18.909  2.4355  52.026    11.632    72.763    16.405    31.064    16.495    23.021  2.7127  14.798  4.0456  8.222914       4.870909 
1 1 1 20  -19 8  o 53.351  1.9216  386.510   27.387    369.714   38.721    403.324   38.742    52.139  2.7827  54.563  2.6509  -2.424305      3.843220 
1 1 1 20  -19 9  o 36.916  1.8934  185.704   18.579    195.270   26.395    176.311   26.155    37.877  2.6177  35.955  2.7364  1.922127       3.786896 
1 1 1 20  -19 10 o 19.382  2.3334  52.910    11.626    48.027    16.800    57.397    16.104    18.443  3.5294  20.321  3.0532  -1.877460      4.666786 
1 1 1 20  -19 11 o 77.146  2.1838  811.232   45.111    810.355   64.561    812.070   63.058    77.088  3.1267  77.203  3.0494  -0.1152802     4.367543 
1 1 1 20  -19 12 o 63.332  2.0340  545.547   34.492    563.594   49.477    528.484   48.111    64.352  2.8705  62.311  2.8826  2.040882       4.068060 
1 1 1 20  -19 13 o 51.027  1.9604  354.853   26.664    378.686   38.390    332.640   37.063    52.700  2.7290  49.355  2.8153  3.345272       3.920886 
1 1 1 20  -19 14 o 37.669  1.9307  193.825   19.327    206.421   27.920    182.237   26.780    38.857  2.6994  36.481  2.7611  2.375660       3.861383 
1 1 1 20  -19 15 o 40.414  1.9370  224.275   20.772    210.676   29.953    236.874   28.830    39.181  2.8742  41.647  2.5975  -2.466011      3.874018 
1 1 1 20  -19 16 o 28.679  2.0825  115.328   15.421    92.187    22.084    137.351   21.543    25.696  3.2838  31.663  2.5622  -5.967384      4.165054 
1 1 1 20  -19 17 o 26.084  2.0777  94.135    14.185    106.880   20.570    82.580    19.586    27.824  2.7981  24.344  3.0723  3.480030       4.155483 
1 1 1 20  -19 18 o 10.007  2.5684  9.5636    9.4910    19.746    13.821    0.4769    13.056    11.965  3.8207  8.0498  3.4336  3.914838       5.136878 
1 1 1 20  -19 19 f 22.303  2.3134  70.206    13.385    68.746    19.359    71.544    18.527    22.038  3.3882  22.569  3.1507  -0.5313797     4.626724 
1 1 1 20  -19 20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -19 21 o 42.335  1.9852  248.268   22.347    239.245   32.099    256.755   31.132    41.538  2.9033  43.132  2.7085  -1.593929      3.970496 
1 1 1 20  -19 22 o 29.113  2.1706  118.847   16.648    120.463   24.240    117.405   22.904    29.271  3.1409  28.954  2.9967  0.3167381      4.341125 
1 1 1 20  -19 23 o 31.081  2.2156  137.369   17.976    120.509   26.073    152.643   24.817    29.091  3.4109  33.072  2.8287  -3.981413      4.431283 
1 1 1 20  -19 24 o 19.214  2.9018  55.011    14.476    60.760    21.073    49.874    19.920    20.213  4.0337  18.214  4.1727  1.998926       5.803635 
1 1 1 20  -19 25 o 7.5486  2.4518  -9.4785   11.317    -8.6942   16.186    -10.2286  15.830    7.6751  3.5109  7.4221  3.4232  0.2530088      4.903529 
1 1 1 20  -19 26 o 44.633  2.1857  283.513   25.942    301.364   37.370    266.910   36.040    46.029  3.0484  43.237  3.1332  2.792004       4.371488 
1 1 1 20  -19 27 o 36.015  2.3917  188.856   22.786    195.911   32.972    182.407   31.526    36.649  3.3975  35.380  3.3673  1.268555       4.783494 
1 1 1 20  -19 28 o 16.193  2.8983  42.546    12.190    36.080    21.664    45.543    14.746    14.911  4.7858  17.476  3.2706  -2.565105      5.796601 
1 1 1 20  -19 29 o 14.434  2.9567  36.485    13.237    13.816    23.858    46.568    15.911    11.438  4.7446  17.430  3.5292  -5.991956      5.913302 
1 1 1 20  -19 30 o 38.590  3.7357  230.328   38.130    230.328   38.130    0.0000    0.0000    38.590  3.7357  ?       ?       ?              ?        
1 1 1 20  -19 31 o 23.698  3.9594  112.845   26.023    73.523    38.938    144.585   34.983    18.246  6.4201  29.150  4.6357  -10.90413      7.918797 
1 1 1 20  -19 32 o 19.487  4.4373  66.060    22.642    0.0000    0.0000    66.060    22.642    ?       ?       19.487  4.4373  ?              ?        
1 1 1 20  -19 33 o 7.5937  2.5400  -8.8758   11.434    -5.7632   23.425    -9.8493   13.100    8.8488  4.1101  6.3387  2.9856  2.510087       5.080084 
1 1 1 20  -19 34 o 17.326  3.3063  60.777    15.916    46.833    29.434    66.538    18.921    14.592  5.5101  20.061  3.6560  -5.468599      6.612696 
1 1 1 20  -19 35 o 7.7665  2.4786  -1.7094   11.370    -30.0878  23.273    7.1876    13.031    7.1668  3.5189  8.3661  3.4915  -1.199271      4.957154 
1 1 1 20  -19 36 o 13.314  2.9467  37.911    15.283    -5.7076   29.628    53.724    17.839    9.2495  4.3960  17.378  3.9252  -8.128646      5.893339 
1 1 1 20  -19 37 o 16.379  3.5022  64.726    17.683    52.764    33.428    69.374    20.837    13.583  5.6239  19.176  4.1753  -5.592880      7.004386 
1 1 1 20  -19 38 o 16.227  3.7172  65.625    17.641    80.455    34.159    60.231    20.601    15.623  5.9271  16.832  4.4877  -1.208431      7.434386 
1 1 1 20  -18 0  o 20.235  2.0615  56.565    10.846    58.218    15.338    54.912    15.340    20.546  2.8650  19.923  2.9649  0.6232853      4.122962 
1 1 1 20  -18 1  o 48.445  1.8408  317.975   23.798    320.231   33.653    315.718   33.657    48.620  2.5935  48.271  2.6129  0.3487740      3.681548 
1 1 1 20  -18 2  o 54.990  1.8678  408.583   27.511    407.708   38.782    409.470   39.032    54.932  2.6358  55.049  2.6472  -0.1164742     3.735657 
1 1 1 20  -18 3  o 19.238  2.2499  51.479    11.188    51.500    15.884    51.459    15.762    19.240  3.1942  19.237  3.1695  0.2866745E-02  4.499871 
1 1 1 20  -18 4  o 93.106  2.3069  1176.56   57.529    1180.57   81.498    1172.57   81.219    93.264  3.2624  92.948  3.2624  0.3163681      4.613711 
1 1 1 20  -18 5  o 56.119  1.9404  425.878   29.162    431.762   41.064    419.891   41.420    56.516  2.7127  55.721  2.7753  0.7944031      3.880834 
1 1 1 20  -18 6  o 11.710  2.6003  18.527    9.0887    17.563    13.210    19.394    12.524    11.523  3.7411  11.897  3.6127  -0.3734856     5.200652 
1 1 1 20  -18 7  o 37.855  1.8626  194.629   18.754    186.173   26.452    203.176   26.594    37.014  2.6864  38.696  2.5806  -1.682472      3.725111 
1 1 1 20  -18 8  o 50.285  1.8913  342.836   25.379    349.001   36.111    336.819   35.676    50.735  2.6667  49.835  2.6825  0.8994217      3.782502 
1 1 1 20  -18 9  o 34.377  1.9034  160.885   17.379    159.447   24.870    162.258   24.295    34.217  2.7365  34.538  2.6464  -0.3205070     3.806790 
1 1 1 20  -18 10 o 83.193  2.2324  940.527   49.736    948.078   71.180    933.323   69.523    83.510  3.1822  82.877  3.1319  0.6330338      4.464884 
1 1 1 20  -18 11 o 53.765  1.9477  391.929   27.969    416.149   40.158    369.115   38.976    55.425  2.7051  52.105  2.8030  3.320194       3.895465 
1 1 1 20  -18 12 o 20.810  2.2432  60.052    12.045    68.963    17.548    52.113    16.564    22.331  3.0106  19.289  3.3262  3.042627       4.486304 
1 1 1 20  -18 13 o 47.649  1.9090  308.855   24.258    317.366   34.717    300.735   33.909    48.294  2.6946  47.005  2.7047  1.289093       3.817929 
1 1 1 20  -18 14 o 47.337  1.9137  305.237   24.088    337.178   34.534    274.976   33.614    49.787  2.5987  44.887  2.8100  4.900047       3.827410 
1 1 1 20  -18 15 o 64.071  2.0252  559.592   34.727    538.357   49.366    580.394   48.861    62.841  2.9329  65.302  2.7935  -2.460762      4.050386 
1 1 1 20  -18 16 o 20.314  2.2677  57.745    11.913    59.190    17.387    56.467    16.355    20.541  3.2698  20.087  3.1429  0.4542809      4.535322 
1 1 1 20  -18 17 o 19.081  2.4154  51.816    11.846    46.854    17.098    56.397    16.428    18.111  3.6507  20.051  3.1638  -1.940002      4.830805 
1 1 1 20  -18 18 o 36.537  1.9206  183.092   18.596    203.281   26.740    164.181   25.879    38.531  2.6062  34.543  2.8217  3.988441       3.841170 
1 1 1 20  -18 19 o 31.237  1.9780  134.484   16.367    138.218   23.574    131.009   22.741    31.654  2.8096  30.819  2.7849  0.8348064      3.955972 
1 1 1 20  -18 20 o 31.363  1.9981  135.735   16.586    144.563   23.994    127.658   22.952    32.355  2.7961  30.371  2.8550  1.984308       3.996158 
1 1 1 20  -18 21 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -18 22 o 51.688  2.0261  369.495   27.929    371.855   40.138    367.279   38.887    51.827  2.9031  51.549  2.8272  0.2775955      4.052265 
1 1 1 20  -18 23 o 15.163  3.0157  33.956    12.759    36.579    18.531    31.591    17.594    15.686  4.2879  14.639  4.2417  1.046902       6.031416 
1 1 1 20  -18 24 o 27.058  2.4275  104.271   17.077    119.891   24.838    90.266    23.518    29.088  3.2432  25.028  3.6128  4.059309       4.854993 
1 1 1 20  -18 25 o 51.296  2.1559  369.788   29.440    397.587   42.174    343.371   41.113    53.243  2.9691  49.349  3.1266  3.894672       4.311760 
1 1 1 20  -18 26 o 61.675  2.0737  533.781   33.740    543.070   52.214    527.122   44.209    61.868  3.1615  61.483  2.6845  0.3850594      4.147466 
1 1 1 20  -18 27 o 19.720  2.6564  53.191    12.987    79.012    22.760    40.726    15.814    22.991  3.8308  16.449  3.6811  6.541975       5.312768 
1 1 1 20  -18 28 o 12.900  3.0459  19.890    11.936    41.320    21.917    10.854    14.232    15.992  4.7619  9.8085  3.7991  6.183531       6.091709 
1 1 1 20  -18 29 o 24.465  2.5759  81.268    15.512    127.074   27.634    60.192    18.744    29.059  3.6295  19.872  3.6563  9.186853       5.151890 
1 1 1 20  -18 30 o 14.972  5.0100  38.411    23.631    38.411    23.631    0.0000    0.0000    14.972  5.0100  ?       ?       ?              ?        
1 1 1 20  -18 31 o 17.228  5.3587  55.319    27.355    55.319    27.355    0.0000    0.0000    17.228  5.3587  ?       ?       ?              ?        
1 1 1 20  -18 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -18 33 o 15.373  3.8341  43.943    16.303    54.261    48.331    42.618    17.318    14.973  6.4982  15.773  4.0714  -0.8002062     7.668277 
1 1 1 20  -18 34 o 13.105  3.2926  24.574    13.353    54.213    26.310    14.291    15.497    16.232  5.2802  9.9780  3.9352  6.253647       6.585267 
1 1 1 20  -18 35 f 11.841  2.9937  25.423    14.444    -7.7612   27.565    37.984    16.959    9.1477  4.3154  14.534  4.1505  -5.386074      5.987414 
1 1 1 20  -18 36 o 9.9760  2.8861  13.620    13.775    -17.6565  27.621    23.975    15.892    8.4259  4.0666  11.526  4.0966  -3.100127      5.772270 
1 1 1 20  -18 37 o 8.7254  2.5193  2.6521    12.716    -67.9430  26.906    22.956    14.430    6.2774  3.1784  11.173  3.9096  -4.896091      5.038584 
1 1 1 20  -18 38 o 11.626  3.3401  16.919    14.985    68.450    30.316    0.2577    17.239    15.466  5.6372  7.7862  3.5843  7.679913       6.680234 
1 1 1 20  -17 0  o 109.859 2.5291  1638.44   74.416    1666.25   105.796   1611.21   104.692   110.786 3.5653  108.932 3.5882  1.854576       5.058262 
1 1 1 20  -17 1  o 69.362  1.9739  649.643   36.654    676.086   52.056    623.641   51.620    70.771  2.7462  67.953  2.8361  2.818146       3.947779 
1 1 1 20  -17 2  o 80.617  2.1262  878.690   45.895    851.961   64.842    905.524   64.970    79.378  3.0498  81.857  2.9633  -2.479073      4.252305 
1 1 1 20  -17 3  o 40.640  1.8211  224.285   19.652    240.350   27.450    207.393   28.147    42.165  2.4410  39.114  2.7033  3.051193       3.642283 
1 1 1 20  -17 4  o 26.046  1.9465  92.516    13.371    90.307    18.681    94.837    19.147    25.724  2.7541  26.369  2.7515  -0.6446495     3.893023 
1 1 1 20  -17 5  o 88.227  2.2016  1052.98   52.026    1051.97   73.600    1053.99   73.552    88.184  3.1160  88.270  3.1110  -0.8608246E-01 4.403129 
1 1 1 20  -17 6  o 14.442  2.4343  29.515    9.4829    20.070    13.373    39.067    13.449    12.152  3.7413  16.732  3.1156  -4.579535      4.868658 
1 1 1 20  -17 7  o 28.245  1.8750  108.593   14.011    112.879   19.890    104.371   19.740    28.810  2.6057  27.679  2.6968  1.131575       3.750000 
1 1 1 20  -17 8  o 8.3086  2.2638  5.6741    7.1273    9.0271    10.810    3.0959    9.4793    9.1390  3.3609  7.4782  3.0339  1.660795       4.527680 
1 1 1 20  -17 9  o 47.533  1.8937  305.629   23.990    323.875   34.641    288.814   33.256    48.903  2.6546  46.162  2.7014  2.740177       3.787419 
1 1 1 20  -17 10 o 69.113  2.0669  646.310   38.247    653.879   54.955    639.201   53.264    69.497  2.9522  68.728  2.8934  0.7698898      4.133712 
1 1 1 20  -17 11 o 67.988  2.0779  627.047   37.783    601.135   54.124    651.676   52.769    66.591  3.0345  69.386  2.8393  -2.795105      4.155730 
1 1 1 20  -17 12 o 54.636  1.9620  405.193   28.620    389.261   40.922    420.447   40.042    53.526  2.8647  55.745  2.6817  -2.219109      3.924067 
1 1 1 20  -17 13 o 60.668  1.9820  498.957   32.202    495.495   45.877    502.320   45.210    60.453  2.8333  60.884  2.7723  -0.4307632     3.963997 
1 1 1 20  -17 14 o 9.4514  2.3631  8.7986    8.2817    -1.7587   12.140    17.989    11.327    7.4866  3.2529  11.416  3.4287  -3.929464      4.726238 
1 1 1 20  -17 15 o 29.691  1.9528  120.794   15.330    118.412   22.110    122.999   21.275    29.387  2.8445  29.995  2.6761  -0.6080875     3.905508 
1 1 1 20  -17 16 o 47.845  1.9077  312.242   24.326    302.307   34.743    321.798   34.073    47.074  2.7676  48.617  2.6263  -1.542393      3.815397 
1 1 1 20  -17 17 o 39.360  1.9026  213.061   19.782    187.580   28.351    237.237   27.615    36.984  2.8848  41.737  2.4814  -4.753365      3.805183 
1 1 1 20  -17 18 o 30.403  1.9459  127.106   15.651    124.920   22.619    129.115   21.679    30.126  2.8365  30.680  2.6646  -0.5535240     3.891752 
1 1 1 20  -17 19 o 45.111  1.9335  280.073   23.133    254.404   33.187    304.333   32.263    43.023  2.8968  47.200  2.5616  -4.176842      3.866928 
1 1 1 20  -17 20 o 21.753  2.3006  66.275    12.959    73.039    19.015    60.410    17.707    22.821  3.1987  20.685  3.3074  2.135817       4.601192 
1 1 1 20  -17 21 o 38.334  1.9933  202.288   20.301    215.322   29.344    190.321   28.116    39.533  2.7891  37.134  2.8485  2.399593       3.986592 
1 1 1 20  -17 22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -17 23 o 49.752  2.0762  343.308   27.531    336.105   39.214    350.309   38.662    49.204  2.9896  50.299  2.8817  -1.094624      4.152352 
1 1 1 20  -17 24 o 44.374  1.9605  272.706   22.698    274.602   35.941    271.447   29.275    44.348  3.0442  44.400  2.4714  -0.5224991E-01 3.921050 
1 1 1 20  -17 25 o 29.830  2.1949  124.858   16.645    128.525   27.533    122.745   20.896    29.974  3.4951  29.686  2.6561  0.2883682      4.389827 
1 1 1 20  -17 26 o 52.007  2.0442  378.736   27.849    378.590   43.748    378.836   36.110    51.734  3.1724  52.279  2.5787  -0.5447197     4.088313 
1 1 1 20  -17 27 o 16.689  2.8458  42.569    12.042    40.808    21.129    43.416    14.655    16.170  4.6376  17.209  3.2994  -1.039452      5.691540 
1 1 1 20  -17 28 o 31.869  2.2546  145.997   18.280    149.135   30.152    144.174   22.987    31.828  3.6002  31.910  2.7153  -0.8194733E-01 4.509298 
1 1 1 20  -17 29 o 9.6643  2.5139  8.4110    10.778    -26.2060  20.132    22.319    12.761    7.1900  3.4706  12.138  3.6378  -4.948474      5.027775 
1 1 1 20  -17 30 o 20.586  3.1782  67.039    17.495    104.068   26.778    39.465    23.108    25.874  3.9923  15.297  4.9462  10.57709       6.356341 
1 1 1 20  -17 31 o 16.232  5.1297  47.052    24.963    47.052    24.963    0.0000    0.0000    16.232  5.1297  ?       ?       ?              ?        
1 1 1 20  -17 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -17 33 o 25.891  3.2105  103.296   21.787    0.0000    0.0000    103.296   21.787    ?       ?       25.891  3.2105  ?              ?        
1 1 1 20  -17 34 o 15.248  3.2347  46.560    15.177    27.834    28.898    53.693    17.834    12.552  5.2156  17.943  3.8276  -5.391181      6.469355 
1 1 1 20  -17 35 o 31.741  2.8230  166.143   22.128    182.783   38.238    157.765   27.132    31.838  4.6189  31.644  3.2472  0.1936817      5.646059 
1 1 1 20  -17 36 o 7.5935  2.5409  -6.3257   11.452    -10.9323  24.902    -5.0904   12.896    8.5039  4.0383  6.6831  3.0849  1.820825       5.081790 
1 1 1 20  -17 37 o 10.572  3.0356  19.365    14.180    0.3874    28.044    25.884    16.436    9.4236  4.4163  11.721  4.1660  -2.297395      6.071201 
1 1 1 20  -17 38 o 8.3205  2.5910  3.1697    12.748    -34.2426  25.503    15.632    14.719    7.0558  3.5040  9.5852  3.8177  -2.529339      5.181952 
1 1 1 20  -16 0  o 80.088  2.0939  865.588   44.917    868.320   63.814    862.906   63.233    80.211  2.9703  79.964  2.9523  0.2466965      4.187897 
1 1 1 20  -16 1  o 81.555  2.1098  897.762   46.051    942.911   65.398    853.357   64.857    83.602  2.9205  79.508  3.0455  4.094452       4.219540 
1 1 1 20  -16 2  o 9.6687  1.7774  13.660    4.7882    8.0338    7.6204    17.330    6.1550    8.1683  2.8421  11.169  2.1352  -3.000724      3.554833 
1 1 1 20  -16 3  o 78.575  2.0685  832.963   43.522    857.791   61.636    808.273   61.464    79.751  2.8854  77.400  2.9648  2.351250       4.137091 
1 1 1 20  -16 4  o 35.629  1.8150  171.735   17.196    164.262   24.029    179.580   24.619    34.827  2.5945  36.432  2.5388  -1.604187      3.629956 
1 1 1 20  -16 5  o 56.756  1.8714  434.132   28.427    412.679   40.063    455.884   40.342    55.336  2.7030  58.176  2.5889  -2.839668      3.742831 
1 1 1 20  -16 6  o 20.176  2.1179  56.278    10.928    69.080    15.782    44.489    15.146    22.485  2.6729  17.866  3.2861  4.618748       4.235858 
1 1 1 20  -16 7  o 58.770  1.9292  465.697   30.360    466.259   43.442    465.160   42.447    58.801  2.7583  58.740  2.6979  0.6055450E-01  3.858345 
1 1 1 20  -16 8  o 63.975  1.9953  552.281   34.170    551.976   49.150    552.566   47.539    63.950  2.8694  64.000  2.7732  -0.5054474E-01 3.990518 
1 1 1 20  -16 9  o 11.702  2.4535  18.443    8.2767    22.812    12.337    14.868    11.161    12.773  3.5017  10.631  3.4375  2.141501       4.906960 
1 1 1 20  -16 10 o 102.929 2.4928  1437.37   68.712    1444.01   98.248    1431.00   96.134    103.150 3.5560  102.708 3.4945  0.4424744      4.985659 
1 1 1 20  -16 11 o 107.316 2.5450  1565.19   73.144    1549.32   104.023   1580.71   102.868   106.761 3.6377  107.871 3.5603  -1.109718      5.090047 
1 1 1 20  -16 12 o 67.558  2.0391  618.258   36.844    584.689   52.397    651.088   51.817    65.720  2.9766  69.397  2.7877  -3.677002      4.078181 
1 1 1 20  -16 13 o 37.031  1.8615  186.109   18.333    194.519   26.284    178.141   25.584    37.853  2.6083  36.208  2.6565  1.645535       3.722982 
1 1 1 20  -16 14 o 53.570  1.9200  389.041   27.493    383.183   39.120    394.757   38.646    53.127  2.7586  54.012  2.6713  -0.8847580     3.840019 
1 1 1 20  -16 15 o 51.208  1.8747  356.015   25.623    358.416   36.528    353.689   35.951    51.375  2.6637  51.040  2.6387  0.3343811      3.749399 
1 1 1 20  -16 16 o 14.801  2.5413  31.592    10.199    21.603    14.714    40.828    14.149    12.564  3.9338  17.038  3.2183  -4.474212      5.082548 
1 1 1 20  -16 17 o 42.165  1.8304  242.324   20.550    235.482   29.459    248.809   28.681    41.563  2.6601  42.767  2.5149  -1.203415      3.660721 
1 1 1 20  -16 18 o 18.251  2.5140  47.622    11.796    43.476    17.366    51.174    16.072    17.423  3.8260  19.079  3.2623  -1.656343      5.027989 
1 1 1 20  -16 19 o 25.190  2.1052  87.865    13.914    88.741    20.187    87.072    19.205    25.293  3.0406  25.086  2.9124  0.2070465      4.210388 
1 1 1 20  -16 20 o 14.180  2.6682  29.414    10.770    17.699    15.960    39.211    14.594    11.783  4.1123  16.577  3.4010  -4.794200      5.336459 
1 1 1 20  -16 21 o 86.022  2.2428  1025.68   51.259    961.800   75.928    1079.17   69.484    83.366  3.4003  88.679  2.9253  -5.313126      4.485512 
1 1 1 20  -16 22 o 36.011  2.3555  179.648   22.201    172.044   29.020    190.380   34.474    35.186  3.1113  36.837  3.5375  -1.651028      4.711041 
1 1 1 20  -16 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -16 24 o 25.016  2.2519  87.479    14.147    91.171    23.683    85.431    17.641    25.255  3.6032  24.778  2.7019  0.4772568      4.503716 
1 1 1 20  -16 25 o 27.925  2.1703  104.561   15.429    130.724   26.269    90.783    19.063    30.395  3.2785  25.455  2.8447  4.940718       4.340616 
1 1 1 20  -16 26 o 35.809  2.1424  184.411   19.421    165.101   31.440    196.326   24.695    33.958  3.5071  37.661  2.4617  -3.702999      4.284837 
1 1 1 20  -16 27 o 11.811  2.8601  16.315    10.237    29.560    19.012    10.907    12.149    14.042  4.4808  9.5804  3.5555  4.462027       5.720113 
1 1 1 20  -16 28 o 16.797  2.8107  48.850    12.963    21.230    22.431    62.699    15.884    12.690  4.8058  20.905  2.9162  -8.214544      5.621387 
1 1 1 20  -16 29 o 13.280  2.7988  28.997    11.941    6.5580    21.447    39.079    14.376    10.424  4.4221  16.136  3.4318  -5.711405      5.597544 
1 1 1 20  -16 30 o 14.541  3.1242  35.558    13.523    23.260    24.113    41.201    16.334    12.808  4.9494  16.274  3.8138  -3.466011      6.248392 
1 1 1 20  -16 31 o 13.987  5.0349  32.633    24.079    32.633    24.079    0.0000    0.0000    13.987  5.0349  ?       ?       ?              ?        
1 1 1 20  -16 32 o 6.9957  3.3987  -26.5575  20.101    -26.5575  20.101    0.0000    0.0000    6.9957  3.3987  ?       ?       ?              ?        
1 1 1 20  -16 33 o 12.673  4.1754  27.066    16.433    0.0000    0.0000    27.066    16.433    ?       ?       12.673  4.1754  ?              ?        
1 1 1 20  -16 34 o 16.348  3.3619  47.150    14.610    56.900    27.255    43.219    17.306    16.800  5.3654  15.897  4.0523  0.9030771      6.723773 
1 1 1 20  -16 35 o 14.887  3.2367  45.007    15.385    24.741    28.813    53.089    18.196    12.114  5.1315  17.659  3.9462  -5.545315      6.473382 
1 1 1 20  -16 36 o 7.5324  2.4341  -4.3764   11.399    -39.1206  24.254    5.4736    12.914    6.9630  3.4509  8.1019  3.4339  -1.138881      4.868266 
1 1 1 20  -16 37 o 16.007  3.7457  51.962    17.109    75.700    33.117    43.320    19.983    17.262  5.9294  14.752  4.5786  2.510292       7.491434 
1 1 1 20  -16 38 o 9.4041  3.0093  9.0633    14.916    11.552    28.875    8.1573    17.420    10.013  4.6201  8.7948  3.8573  1.218531       6.018605 
1 1 1 20  -16 39 o 10.825  3.3005  24.260    15.439    42.175    31.486    18.589    17.715    11.833  5.1878  9.8165  4.0817  2.016244       6.601043 
1 1 1 20  -15 0  o 42.176  1.7639  240.169   19.832    235.164   28.101    245.135   27.993    41.732  2.5259  42.619  2.4627  -0.8871689     3.527723 
1 1 1 20  -15 1  o 81.339  2.0901  891.604   45.525    917.324   64.576    866.190   64.191    82.511  2.9219  80.167  2.9894  2.343994       4.180235 
1 1 1 20  -15 2  o 55.398  1.8314  413.058   27.168    421.039   38.276    404.954   38.570    55.941  2.5545  54.855  2.6251  1.086067       3.662858 
1 1 1 20  -15 3  o 42.032  1.7941  238.463   20.077    222.561   28.097    255.055   28.700    40.587  2.5982  43.476  2.4748  -2.889576      3.588172 
1 1 1 20  -15 4  o 45.379  3.8317  286.857   45.325    311.327   62.857    260.352   65.418    47.540  5.0118  43.218  5.7974  4.322186       7.663428 
1 1 1 20  -15 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -15 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -15 7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -15 8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -15 9  o 105.741 3.0888  1524.72   82.376    1512.96   142.487   1530.62   100.957   105.145 5.0594  106.337 3.5446  -1.192856      6.177505 
1 1 1 20  -15 10 o 70.242  2.0768  666.161   39.056    657.596   55.825    674.373   54.661    69.791  2.9864  70.694  2.8868  -0.9032669     4.153512 
1 1 1 20  -15 11 o 100.737 2.4545  1374.97   66.226    1384.56   94.030    1365.53   93.291    101.084 3.4729  100.389 3.4695  0.6957550      4.909015 
1 1 1 20  -15 12 o 62.135  1.9777  521.563   32.898    506.206   46.722    536.662   46.330    61.218  2.8494  63.052  2.7433  -1.834282      3.955358 
1 1 1 20  -15 13 o 58.216  1.9135  457.706   29.837    460.481   42.395    454.983   41.998    58.390  2.7107  58.042  2.7014  0.3479538      3.826991 
1 1 1 20  -15 14 f 52.393  1.8888  371.921   26.417    370.474   37.570    373.336   37.152    52.288  2.6917  52.499  2.6506  -0.2112770     3.777682 
1 1 1 20  -15 15 o 90.893  2.2801  1122.66   55.510    1117.41   78.468    1127.93   78.537    90.677  3.2308  91.108  3.2183  -0.4313049     4.560219 
1 1 1 20  -15 16 o 46.185  1.8595  290.075   22.874    277.371   32.693    302.258   32.016    45.169  2.7149  47.201  2.5418  -2.032005      3.719004 
1 1 1 20  -15 17 o 83.007  2.1978  938.648   48.844    971.754   69.202    905.783   68.950    84.489  3.0580  81.526  3.1575  2.962044       4.395579 
1 1 1 20  -15 18 o 81.069  2.2051  897.287   47.866    873.263   67.808    921.149   67.579    79.963  3.1659  82.174  3.0703  -2.210564      4.410228 
1 1 1 20  -15 19 o 18.798  2.1609  46.795    10.225    62.589    17.019    37.873    12.791    21.189  3.0896  16.407  3.0220  4.782269       4.321815 
1 1 1 20  -15 20 o 7.6968  2.1683  4.6785    6.4399    -0.1362   12.103    6.5798    7.6059    7.6897  3.2936  7.7039  2.8212  -0.1419640E-01 4.336690 
1 1 1 20  -15 21 o 9.3471  2.5096  8.4501    8.0776    11.016    14.794    7.3601    9.6417    10.288  3.9012  8.4061  3.1580  1.882059       5.019232 
1 1 1 20  -15 22 o 29.188  1.9893  115.296   14.936    128.224   24.625    107.771   18.787    30.381  3.0682  27.995  2.5328  2.385643       3.978531 
1 1 1 20  -15 23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -15 24 o 20.849  2.4343  57.017    12.614    84.707    21.738    42.958    15.489    24.436  3.4145  17.261  3.4705  7.174585       4.868568 
1 1 1 20  -15 25 o 54.759  2.0826  421.594   29.727    387.990   46.186    445.362   38.842    52.593  3.2953  56.925  2.5475  -4.332272      4.165160 
1 1 1 20  -15 26 o 32.905  2.1141  151.120   17.875    155.751   29.136    148.326   22.635    33.130  3.3284  32.680  2.6076  0.4507790      4.228220 
1 1 1 20  -15 27 o 22.771  2.4603  72.086    13.873    85.777    24.170    65.359    16.942    24.145  3.8679  21.396  3.0418  2.749277       4.920681 
1 1 1 20  -15 28 o 13.598  3.0374  25.895    11.579    33.996    21.261    22.480    13.806    14.857  4.7382  12.339  3.8018  2.518074       6.074856 
1 1 1 20  -15 29 o 20.269  2.9229  60.610    14.546    71.593    25.726    55.448    17.636    21.259  4.6476  19.279  3.5460  1.979498       5.845858 
1 1 1 20  -15 30 o 19.298  3.0993  60.169    14.847    56.311    26.464    61.941    17.935    18.235  5.1770  20.361  3.4092  -2.125912      6.198690 
1 1 1 20  -15 31 o 12.496  4.7388  23.080    21.829    23.080    21.829    0.0000    0.0000    12.496  4.7388  ?       ?       ?              ?        
1 1 1 20  -15 32 o 21.751  5.1047  83.572    29.229    83.572    29.229    0.0000    0.0000    21.751  5.1047  ?       ?       ?              ?        
1 1 1 20  -15 33 o 16.365  4.0491  44.608    17.651    0.0000    0.0000    44.608    17.651    ?       ?       16.365  4.0491  ?              ?        
1 1 1 20  -15 34 o 13.292  3.3372  30.465    13.993    35.577    26.260    28.438    16.536    13.716  5.1985  12.867  4.1860  0.8496828      6.674389 
1 1 1 20  -15 35 o 12.464  3.3614  25.242    14.481    38.011    26.688    19.915    17.239    13.825  5.2405  11.103  4.2111  2.721601       6.722775 
1 1 1 20  -15 36 o 16.126  3.5912  48.697    16.012    64.939    30.519    42.527    18.809    17.030  5.6935  15.222  4.3785  1.808311       7.182400 
1 1 1 20  -15 37 o 21.533  3.5312  99.669    19.516    79.694    35.550    108.286   23.349    17.473  6.1353  25.592  3.4978  -8.118690      7.062363 
1 1 1 20  -15 38 o 11.547  3.1968  27.956    15.693    7.3104    30.404    35.454    18.322    9.9047  4.6278  13.189  4.4114  -3.283824      6.393541 
1 1 1 20  -15 39 o 6.7655  2.3957  -27.6011  11.094    9.8283    24.788    -36.9769  12.406    9.2686  4.2779  4.2624  2.1582  5.006208       4.791479 
1 1 1 20  -14 0  o 86.591  2.1439  1009.77   49.723    1014.42   70.650    1005.20   69.993    86.788  3.0392  86.395  3.0247  0.3933182      4.287832 
1 1 1 20  -14 1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -14 2  o 31.748  3.8540  138.135   32.101    138.135   32.101    0.0000    0.0000    31.748  3.8540  ?       ?       ?              ?        
1 1 1 20  -14 3  o 103.490 2.3970  1444.55   66.429    1409.39   93.996    1479.64   93.893    102.222 3.4330  104.758 3.3463  -2.535240      4.794069 
1 1 1 20  -14 4  o 99.677  2.3691  1340.15   63.226    1299.71   89.542    1380.37   89.289    98.165  3.4055  101.188 3.2944  -3.022835      4.738189 
1 1 1 20  -14 5  o 60.871  1.9018  498.913   30.979    482.138   44.236    515.058   43.399    59.858  2.7591  61.883  2.6183  -2.024357      3.803671 
1 1 1 20  -14 6  o 97.177  2.3574  1273.69   61.343    1276.34   87.843    1271.16   85.701    97.268  3.3717  97.086  3.2957  0.1820908      4.714857 
1 1 1 20  -14 7  o 121.655 2.7263  2002.79   88.783    1964.34   126.998   2039.54   124.166   120.487 3.9352  122.822 3.7743  -2.334915      5.452642 
1 1 1 20  -14 8  o 152.397 3.2311  3156.60   131.860   3117.83   187.787   3194.31   185.196   151.445 4.6294  153.349 4.5088  -1.904648      6.462241 
1 1 1 20  -14 9  o 91.841  2.3601  1139.66   58.020    1110.95   82.819    1167.33   81.306    90.688  3.4095  92.994  3.2642  -2.305794      4.720166 
1 1 1 20  -14 10 o 105.547 5.1555  1523.41   145.750   1523.41   145.750   0.0000    0.0000    105.547 5.1555  ?       ?       ?              ?        
1 1 1 20  -14 11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -14 12 o 14.608  2.3940  30.162    9.2291    25.012    13.154    35.155    12.952    13.361  3.5962  15.855  3.1609  -2.493949      4.787951 
1 1 1 20  -14 13 o 124.056 2.7870  2093.70   92.605    2074.87   130.756   2112.66   131.172   123.491 3.9531  124.621 3.9297  -1.130859      5.574008 
1 1 1 20  -14 14 o 26.909  1.8742  98.647    13.304    106.783   19.029    90.868    18.607    28.019  2.5641  25.799  2.7343  2.220366       3.748473 
1 1 1 20  -14 15 o 63.046  1.9248  537.250   32.501    547.771   46.148    526.895   45.781    63.662  2.7063  62.430  2.7378  1.231548       3.849666 
1 1 1 20  -14 16 o 54.409  1.7706  397.311   25.662    424.717   38.802    376.004   34.213    56.050  2.5846  52.768  2.4207  3.281849       3.541144 
1 1 1 20  -14 17 o 24.040  1.9117  76.171    11.846    97.083    19.167    63.246    15.069    26.633  2.7254  21.448  2.6817  5.184956       3.823493 
1 1 1 20  -14 18 o 24.072  2.0308  82.537    12.104    70.130    19.669    90.099    15.355    22.419  3.3805  25.725  2.2512  -3.305201      4.061499 
1 1 1 20  -14 19 o 66.528  1.9723  603.382   34.826    592.287   52.640    612.019   46.443    65.909  2.9818  67.147  2.5823  -1.238136      3.944546 
1 1 1 20  -14 20 o 40.478  1.9093  229.233   19.898    199.603   31.114    249.738   25.883    38.081  3.0766  42.876  2.2618  -4.794960      3.818551 
1 1 1 20  -14 21 o 84.397  2.2346  981.197   50.151    949.319   74.809    1007.22   67.587    83.008  3.3647  85.785  2.9415  -2.777023      4.469139 
1 1 1 20  -14 22 o 19.238  2.5163  56.195    11.770    41.663    19.547    64.460    14.742    16.888  4.3077  21.588  2.6020  -4.700544      5.032538 
1 1 1 20  -14 23 o 40.778  3.1048  230.500   33.657    230.500   33.657    0.0000    0.0000    40.778  3.1048  ?       ?       ?              ?        
1 1 1 20  -14 24 o 50.304  2.4540  346.233   29.121    372.010   56.719    337.005   33.936    51.060  4.1840  49.548  2.5659  1.512287       4.908091 
1 1 1 20  -14 25 o 37.690  2.0471  197.762   19.931    195.599   32.005    199.132   25.473    37.355  3.2306  38.025  2.5152  -0.6704979     4.094235 
1 1 1 20  -14 26 o 28.530  2.3340  118.430   16.511    104.409   27.062    126.744   20.840    26.838  3.8770  30.221  2.5998  -3.382803      4.667975 
1 1 1 20  -14 27 o 7.3701  2.3507  -4.5840   9.1034    -5.5451   16.472    -4.1614   10.923    8.1182  3.6441  6.6221  2.9704  1.496037       4.701382 
1 1 1 20  -14 28 o 23.185  2.5949  79.448    14.910    76.979    24.638    80.874    18.729    22.566  4.2317  23.804  3.0045  -1.237593      5.189835 
1 1 1 20  -14 29 o 10.181  2.7447  12.380    9.9923    7.8661    18.462    14.249    11.883    10.140  4.1874  10.223  3.5495  -0.8304882E-01 5.489389 
1 1 1 20  -14 30 o 21.053  2.9747  69.539    15.494    67.248    26.216    70.769    19.208    20.267  4.8864  21.838  3.3940  -1.571594      5.949498 
1 1 1 20  -14 31 o 15.221  3.3562  36.434    15.199    51.793    24.077    26.259    19.597    17.470  4.9303  12.972  4.5552  4.498010       6.712490 
1 1 1 20  -14 32 o 9.0596  4.1287  -4.8890   22.118    -4.8890   22.118    0.0000    0.0000    9.0596  4.1287  ?       ?       ?              ?        
1 1 1 20  -14 33 o 16.699  4.0265  46.036    17.800    0.0000    0.0000    46.036    17.800    ?       ?       16.699  4.0265  ?              ?        
1 1 1 20  -14 34 o 10.203  3.0369  12.241    13.300    -55.2324  44.857    18.744    13.927    9.5029  4.7067  10.903  3.8392  -1.400409      6.073881 
1 1 1 20  -14 35 o 20.724  3.3742  81.696    17.678    69.696    31.335    87.298    21.410    18.083  5.7507  23.365  3.5312  -5.282207      6.748349 
1 1 1 20  -14 36 o 17.951  3.6313  61.743    17.437    72.534    31.474    56.965    20.944    18.136  5.7630  17.766  4.4195  0.3705502      7.262562 
1 1 1 20  -14 37 o 10.609  3.1874  16.073    14.615    20.205    27.852    14.503    17.169    11.258  4.9089  9.9602  4.0669  1.297741       6.374730 
1 1 1 20  -14 38 o 13.021  3.2655  38.516    16.406    13.352    31.268    48.076    19.272    10.440  4.8137  15.603  4.4138  -5.162583      6.530941 
1 1 1 20  -14 39 o 8.2198  2.7680  -1.9497   14.358    1.8165    29.939    -3.0747   16.363    9.1388  4.3644  7.3009  3.4058  1.837875       5.536036 
1 1 1 20  -13 0  o 110.926 2.4883  1658.61   73.927    1651.57   104.935   1665.55   104.166   110.688 3.5394  111.164 3.4984  -0.4758453     4.976587 
1 1 1 20  -13 1  o 194.163 3.8544  5126.50   200.446   5183.49   283.978   5069.91   282.972   195.250 5.4300  193.077 5.4717  2.173447       7.708776 
1 1 1 20  -13 2  o 108.937 2.4504  1599.87   71.457    1536.82   101.097   1662.81   101.015   106.778 3.5348  111.096 3.3946  -4.318390      4.900874 
1 1 1 20  -13 3  o 164.893 3.3494  3684.11   147.928   3661.92   209.548   3706.15   208.858   164.389 4.7591  165.397 4.7145  -1.007690      6.698889 
1 1 1 20  -13 4  o 59.182  1.8717  470.947   29.659    464.904   42.353    476.763   41.546    58.806  2.6889  59.558  2.6043  -0.7523613     3.743373 
1 1 1 20  -13 5  o 106.254 2.4750  1522.45   70.414    1506.39   100.624   1537.86   98.568    105.694 3.5544  106.814 3.4452  -1.120300      4.950058 
1 1 1 20  -13 6  o 42.682  1.7817  245.081   20.252    261.371   29.467    230.499   27.880    44.028  2.5091  41.335  2.5304  2.693314       3.563493 
1 1 1 20  -13 7  o 24.418  1.8924  81.689    12.075    73.948    17.532    88.674    16.655    23.268  2.8743  25.569  2.4623  -2.301468      3.784738 
1 1 1 20  -13 8  o 175.937 3.6324  4213.70   171.154   4176.57   243.167   4250.16   240.944   175.143 5.1835  176.731 5.0900  -1.587906      7.264722 
1 1 1 20  -13 9  o 46.761  1.9177  296.383   23.809    269.259   34.030    322.389   33.322    44.629  2.8619  48.893  2.5533  -4.264477      3.835387 
1 1 1 20  -13 10 f 84.453  2.2214  962.200   50.227    932.844   71.217    991.253   70.847    83.161  3.1972  85.746  3.0848  -2.585190      4.442760 
1 1 1 20  -13 11 o 47.890  1.8370  309.710   23.449    327.729   33.313    292.014   33.014    49.284  2.5322  46.495  2.6620  2.789154       3.673981 
1 1 1 20  -13 12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -13 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -13 14 o 20.102  2.0412  59.714    9.8509    41.828    15.679    71.378    12.662    17.261  3.5109  22.942  2.0832  -5.681210      4.082385 
1 1 1 20  -13 15 o 123.557 2.6883  2077.25   88.879    2098.06   128.848   2058.36   122.760   124.108 3.8761  123.007 3.7260  1.101311       5.376514 
1 1 1 20  -13 16 o 12.724  2.0270  26.343    7.1187    7.4289    11.953    36.739    8.8615    9.0573  3.4891  16.391  2.0642  -7.333486      4.053964 
1 1 1 20  -13 17 o 22.036  1.9897  67.158    11.110    65.322    17.897    68.310    14.171    21.708  3.1717  22.365  2.4033  -0.6566734     3.979348 
1 1 1 20  -13 18 o 27.300  1.8936  100.657   13.339    107.724   21.623    96.315    16.949    28.017  2.9245  26.584  2.4064  1.433094       3.787227 
1 1 1 20  -13 19 o 18.270  2.4626  52.885    10.991    28.971    17.916    67.317    13.918    14.362  4.3119  22.178  2.3801  -7.816677      4.925147 
1 1 1 20  -13 20 o 41.376  1.9254  239.322   20.515    208.351   32.081    260.747   26.683    38.928  3.1026  43.824  2.2811  -4.895798      3.850894 
1 1 1 20  -13 21 o 16.001  2.5474  34.058    10.333    47.823    17.674    26.910    12.736    18.285  3.7350  13.717  3.4652  4.567746       5.094851 
1 1 1 20  -13 22 o 65.374  2.0128  580.126   35.018    624.391   53.267    546.435   46.471    67.503  2.9461  63.244  2.7433  4.259109       4.025535 
1 1 1 20  -13 23 o 46.775  1.9348  294.292   23.849    341.696   37.405    261.820   30.958    49.862  2.8122  43.688  2.6582  6.173435       3.869696 
1 1 1 20  -13 24 o 51.463  3.5924  371.163   49.208    0.0000    0.0000    371.163   49.208    ?       ?       51.463  3.5924  ?              ?        
1 1 1 20  -13 25 o 19.328  2.5599  51.710    12.455    64.205    20.599    44.509    15.637    21.074  3.7885  17.581  3.4437  3.493320       5.119743 
1 1 1 20  -13 26 o 14.065  2.7505  31.187    11.326    13.857    19.573    39.911    13.888    11.478  4.4527  16.652  3.2302  -5.174370      5.500964 
1 1 1 20  -13 27 o 20.559  2.7425  66.066    13.793    49.098    22.733    75.951    17.352    17.902  4.6862  23.215  2.8504  -5.313248      5.484951 
1 1 1 20  -13 28 o 38.347  2.2200  212.371   21.809    192.225   34.529    225.740   28.130    36.475  3.5804  40.219  2.6256  -3.743942      4.439981 
1 1 1 20  -13 29 f 13.312  3.1461  26.140    12.745    26.356    22.059    26.032    15.614    13.477  4.8225  13.148  4.0418  0.3289442      6.292262 
1 1 1 20  -13 30 o 16.206  2.8922  46.189    13.689    16.888    23.761    60.746    16.748    12.059  4.8345  20.352  3.1761  -8.292676      5.784405 
1 1 1 20  -13 31 o 23.897  2.9451  92.937    16.839    78.139    28.707    100.699   20.792    21.529  5.0631  26.264  3.0099  -4.734249      5.890219 
1 1 1 20  -13 32 o 10.821  4.5410  11.400    22.226    11.400    22.226    0.0000    0.0000    10.821  4.5410  ?       ?       ?              ?        
1 1 1 20  -13 33 o 11.977  4.1497  22.992    16.237    0.0000    0.0000    22.992    16.237    ?       ?       11.977  4.1497  ?              ?        
1 1 1 20  -13 34 o 14.340  3.6715  38.955    16.972    21.506    46.887    41.587    18.207    13.113  5.9895  15.567  4.2481  -2.453871      7.343079 
1 1 1 20  -13 35 o 9.7101  2.8916  9.8633    12.861    -7.7087   25.753    15.701    14.844    9.1336  4.2647  10.287  3.9061  -1.153006      5.783231 
1 1 1 20  -13 36 o 14.072  3.5082  31.776    15.255    61.119    29.120    20.677    17.910    16.924  5.5574  11.219  4.2833  5.705112       7.016456 
1 1 1 20  -13 37 o 15.808  3.6641  50.047    16.789    63.315    31.363    44.717    19.877    16.324  5.7599  15.293  4.5305  1.031172       7.328197 
1 1 1 20  -13 38 o 13.174  3.2906  38.853    15.864    20.726    30.540    45.551    18.565    11.027  4.9550  15.321  4.3313  -4.294650      6.581194 
1 1 1 20  -12 0  o 98.599  2.2644  1307.99   59.800    1309.89   84.817    1306.11   84.326    98.670  3.2093  98.529  3.1953  0.1406479      4.528746 
1 1 1 20  -12 1  o 43.311  1.7375  252.884   19.971    221.344   27.875    286.146   28.626    40.512  2.5824  46.110  2.3253  -5.597443      3.475022 
1 1 1 20  -12 2  f 123.908 2.6603  2069.64   88.269    2025.09   125.099   2113.81   124.566   122.569 3.8105  125.246 3.7132  -2.676598      5.320507 
1 1 1 20  -12 3  o 92.068  2.2481  1140.95   55.412    1116.12   79.012    1164.99   77.733    91.074  3.2390  93.062  3.1185  -1.988541      4.496209 
1 1 1 20  -12 4  o 29.240  1.7234  115.304   13.324    129.380   19.356    102.626   18.369    30.953  2.3522  27.527  2.5193  3.425858       3.446728 
1 1 1 20  -12 5  o 102.638 2.4132  1418.55   66.334    1428.16   94.677    1409.29   92.968    102.977 3.4326  102.301 3.3929  0.6759262      4.826393 
1 1 1 20  -12 6  o 123.561 2.7350  2059.51   90.507    2095.69   128.948   2024.38   127.064   124.631 3.8628  122.490 3.8729  2.140930       5.469935 
1 1 1 20  -12 7  o 46.677  1.8492  294.019   22.998    286.752   33.096    300.804   31.980    46.107  2.6916  47.246  2.5364  -1.138458      3.698341 
1 1 1 20  -12 8  o 131.481 2.9152  2336.93   102.658   2343.71   145.973   2330.30   144.401   131.665 4.1392  131.298 4.1061  0.3673401      5.830305 
1 1 1 20  -12 9  o 38.182  1.8286  196.893   18.590    197.946   26.506    195.874   26.079    38.282  2.6004  38.083  2.5717  0.1981392      3.657279 
1 1 1 20  -12 10 o 36.791  2.0648  180.914   19.720    172.372   25.084    194.735   31.907    35.700  2.6420  37.881  3.1739  -2.180420      4.129638 
1 1 1 20  -12 11 o 30.139  1.6999  119.520   13.254    163.647   20.538    88.030    17.350    34.828  2.2131  25.451  2.5808  9.377054       3.399771 
1 1 1 20  -12 12 o 29.317  1.6639  114.156   12.829    133.488   19.876    100.350   16.797    31.415  2.3797  27.220  2.3262  4.195610       3.327792 
1 1 1 20  -12 13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -12 14 o 96.709  2.8121  1247.43   66.653    1329.66   123.692   1213.78   79.123    98.643  4.6815  94.774  3.1169  3.868843       5.624223 
1 1 1 20  -12 15 o 93.330  2.2546  1181.19   56.148    1149.76   82.424    1208.41   76.695    92.121  3.3405  94.538  3.0288  -2.417526      4.509145 
1 1 1 20  -12 16 o 77.314  2.0506  807.000   42.315    826.025   62.829    791.206   57.246    78.119  3.0027  76.510  2.7934  1.609756       4.101145 
1 1 1 20  -12 17 o 49.778  1.8196  336.309   23.898    328.844   36.580    341.867   31.564    49.218  2.7863  50.338  2.3411  -1.119595      3.639205 
1 1 1 20  -12 18 o 34.995  1.8489  167.732   16.779    161.405   26.532    171.950   21.661    34.373  2.9091  35.617  2.2826  -1.244255      3.697747 
1 1 1 20  -12 19 o 50.708  1.9259  354.459   25.514    321.781   39.284    378.298   33.553    48.530  3.0374  52.885  2.3687  -4.354420      3.851843 
1 1 1 20  -12 20 o 50.874  1.9084  352.489   25.616    350.889   39.387    353.662   33.721    50.673  2.9143  51.075  2.4649  -0.4022713     3.816896 
1 1 1 20  -12 21 o 19.559  2.5177  59.098    11.933    38.206    19.396    71.824    15.137    16.256  4.3632  22.862  2.5135  -6.605345      5.035374 
1 1 1 20  -12 22 o 68.776  2.0773  645.649   38.051    664.444   57.250    630.776   50.928    69.601  3.0709  67.951  2.7981  1.650131       4.154505 
1 1 1 20  -12 23 o 46.233  1.9582  291.789   23.867    304.354   36.907    282.757   31.291    47.013  2.9458  45.454  2.5808  1.558910       3.916426 
1 1 1 20  -12 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -12 25 o 46.772  2.0235  300.362   24.953    316.407   38.610    288.854   32.700    47.750  3.0345  45.794  2.6776  1.956127       4.046962 
1 1 1 20  -12 26 o 34.336  2.1049  162.919   18.826    173.347   29.886    156.059   24.240    35.130  3.2116  33.541  2.7216  1.588989       4.209703 
1 1 1 20  -12 27 o 42.281  2.1307  250.188   23.528    252.262   36.957    248.775   30.510    42.249  3.2918  42.313  2.7062  -0.6441116E-01 4.261384 
1 1 1 20  -12 28 o 19.824  2.8529  60.986    13.938    51.419    23.719    66.032    17.226    18.168  4.8017  21.480  3.0823  -3.312355      5.705866 
1 1 1 20  -12 29 f 8.0788  2.5359  -2.0976   10.499    -8.3291   18.724    0.7602    12.680    8.3292  3.7969  7.8285  3.3626  0.5007114      5.071846 
1 1 1 20  -12 30 o 21.958  2.9278  74.798    15.810    71.851    26.740    76.382    19.603    21.108  4.8337  22.809  3.3051  -1.700407      5.855598 
1 1 1 20  -12 31 o 19.165  3.0882  57.440    14.887    63.865    25.540    54.134    18.321    19.587  4.8847  18.744  3.7797  0.8432331      6.176311 
1 1 1 20  -12 32 o 7.7737  3.6898  -17.9507  20.744    -17.9507  20.744    0.0000    0.0000    7.7737  3.6898  ?       ?       ?              ?        
1 1 1 20  -12 33 o 19.063  3.5982  64.407    16.941    67.603    35.722    63.479    19.242    18.085  6.1591  20.040  3.7219  -1.954317      7.196362 
1 1 1 20  -12 34 o 13.316  3.4490  32.134    15.432    3.2927    43.945    36.191    16.482    11.956  5.5788  14.677  4.0571  -2.720368      6.898034 
1 1 1 20  -12 35 o 17.813  3.2527  47.384    15.289    93.047    28.374    28.703    18.149    22.784  4.8009  12.842  4.3901  9.942041       6.505479 
1 1 1 20  -12 36 o 12.179  3.2738  25.347    14.026    27.521    25.801    24.435    16.711    12.435  5.0190  11.922  4.2047  0.5121279      6.547572 
1 1 1 20  -12 37 o 26.499  3.1733  118.108   20.728    161.664   36.639    97.605    25.138    29.333  4.8316  23.665  4.1151  5.667938       6.346550 
1 1 1 20  -12 38 o 16.443  3.2872  63.769    17.826    31.062    32.401    77.967    21.348    11.960  5.2527  20.925  3.9537  -8.965303      6.574367 
1 1 1 20  -11 0  o 115.244 2.5303  1787.73   78.104    1780.85   110.760   1794.54   110.154   115.021 3.5952  115.468 3.5617  -0.4467316     5.060698 
1 1 1 20  -11 1  o 60.875  1.8366  497.681   29.941    488.712   42.422    506.583   42.265    60.326  2.6254  61.423  2.5690  -1.096645      3.673230 
1 1 1 20  -11 2  o 89.212  2.2137  1069.65   52.887    1089.13   75.701    1051.08   73.919    90.004  3.1402  88.419  3.1212  1.584267       4.427462 
1 1 1 20  -11 3  o 82.550  2.1423  915.897   47.352    920.577   67.960    911.481   66.015    82.752  3.0661  82.349  2.9929  0.4025040      4.284670 
1 1 1 20  -11 4  o 104.009 2.4115  1455.42   67.173    1480.87   95.831    1430.83   94.186    104.902 3.4106  103.115 3.4102  1.787453       4.822999 
1 1 1 20  -11 5  o 65.123  1.9774  569.740   34.487    576.571   49.320    563.204   48.241    65.503  2.8111  64.742  2.7819  0.7615128      3.954896 
1 1 1 20  -11 6  o 97.280  2.3902  1273.81   62.279    1278.50   88.502    1269.21   87.656    97.456  3.3904  97.104  3.3702  0.3515167      4.780481 
1 1 1 20  -11 7  o 70.302  1.9691  663.632   36.911    671.521   55.013    657.172   49.779    70.671  2.9063  69.934  2.6575  0.7364426      3.938121 
1 1 1 20  -11 8  o 79.000  2.1169  842.046   44.531    814.409   66.046    865.081   60.299    77.786  3.1700  80.213  2.8066  -2.426788      4.233846 
1 1 1 20  -11 9  f 44.495  1.8043  270.922   21.028    238.334   31.709    296.505   28.095    42.000  2.8352  46.990  2.2322  -4.989639      3.608501 
1 1 1 20  -11 10 o 81.865  2.0914  901.778   45.760    907.266   67.057    896.995   62.601    82.085  3.0499  81.646  2.8626  0.4398193      4.182894 
1 1 1 20  -11 11 o 67.273  1.8935  608.296   34.005    615.477   50.313    602.257   46.137    67.627  2.7776  66.919  2.5740  0.7072678      3.786914 
1 1 1 20  -11 12 o 53.541  1.7549  386.494   24.978    377.457   37.455    393.732   33.521    52.961  2.6404  54.121  2.3124  -1.160122      3.509818 
1 1 1 20  -11 13 o 31.961  1.7286  139.211   14.381    133.044   22.439    143.509   18.734    31.316  2.7016  32.606  2.1572  -1.289352      3.457197 
1 1 1 20  -11 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -11 15 o 131.740 2.8354  2362.39   99.904    2325.60   144.561   2396.02   138.224   130.696 4.1295  132.784 3.8864  -2.087799      5.670725 
1 1 1 20  -11 16 o 26.131  1.8552  91.376    12.615    102.467   20.034    84.089    16.239    27.409  2.7667  24.853  2.4722  2.555555       3.710344 
1 1 1 20  -11 17 o 60.200  1.9039  488.789   30.500    498.758   46.024    480.982   40.728    60.718  2.8299  59.683  2.5477  1.034782       3.807807 
1 1 1 20  -11 18 o 76.298  2.0952  789.075   42.631    796.059   63.443    783.326   57.563    76.561  3.0937  76.034  2.8265  0.5275574      4.190498 
1 1 1 20  -11 19 o 98.159  2.4113  1317.35   63.198    1293.96   92.627    1337.72   86.443    97.260  3.5556  99.058  3.2580  -1.797661      4.822556 
1 1 1 20  -11 20 o 24.009  2.2341  83.779    13.153    65.489    20.903    95.767    16.923    21.531  3.7614  26.486  2.4118  -4.955048      4.468259 
1 1 1 20  -11 21 o 43.787  1.9834  266.529   22.607    237.784   34.672    287.785   29.816    41.578  3.1364  45.996  2.4287  -4.418007      3.966823 
1 1 1 20  -11 22 o 7.1546  2.1577  -1.0013   7.6728    -13.0340  13.161    5.1943    9.4438    6.4422  3.0211  7.8670  3.0815  -1.424833      4.315389 
1 1 1 20  -11 23 o 9.2783  2.3753  9.8571    7.9853    -0.6889   14.028    14.912    9.7123    8.1693  3.5231  10.387  3.1868  -2.217876      4.750569 
1 1 1 20  -11 24 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -11 25 o 47.672  2.0638  314.916   25.890    310.120   39.687    318.469   34.159    47.228  3.1555  48.116  2.6608  -0.8886070     4.127619 
1 1 1 20  -11 26 o 19.892  2.6934  57.467    13.368    57.675    22.132    57.347    16.773    19.717  4.3109  20.067  3.2302  -0.3500843     5.386816 
1 1 1 20  -11 27 o 55.327  2.1747  432.653   31.527    399.447   48.238    457.413   41.654    53.151  3.4063  57.503  2.7044  -4.351959      4.349306 
1 1 1 20  -11 28 o 7.3986  2.3362  -3.1535   9.0931    -14.8843  17.285    1.3355    10.692    7.4133  3.4720  7.3840  3.1268  0.2934313E-01  4.672412 
1 1 1 20  -11 29 o 16.347  2.9964  39.723    12.729    46.361    21.797    36.287    15.681    17.193  4.6299  15.502  3.8048  1.691269       5.992746 
1 1 1 20  -11 30 o 40.964  2.2559  239.676   24.065    255.565   38.437    229.433   30.862    41.811  3.4633  40.116  2.8916  1.694885       4.511738 
1 1 1 20  -11 31 o 28.019  2.6722  119.902   18.530    115.043   30.736    122.677   23.226    26.997  4.4021  29.040  3.0306  -2.042801      5.344443 
1 1 1 20  -11 32 o 28.262  4.4751  129.426   32.748    129.426   32.748    0.0000    0.0000    28.262  4.4751  ?       ?       ?              ?        
1 1 1 20  -11 33 o 13.689  3.2344  33.644    15.054    10.469    29.514    41.792    17.501    11.439  5.0187  15.940  4.0815  -4.500954      6.468856 
1 1 1 20  -11 34 o 21.905  3.6302  75.863    20.554    0.0000    0.0000    75.863    20.554    ?       ?       21.905  3.6302  ?              ?        
1 1 1 20  -11 35 o 12.390  3.2839  25.914    14.219    23.548    26.399    26.881    16.875    12.213  5.0213  12.568  4.2335  -0.3547869     6.567818 
1 1 1 20  -11 36 o 9.9216  3.0651  7.4512    13.494    16.425    27.244    4.5337    15.534    11.288  4.8888  8.5551  3.6984  2.733033       6.130134 
1 1 1 20  -11 37 o 14.232  2.9036  42.670    15.853    -11.6888  31.217    61.560    18.402    9.3289  4.4556  19.136  3.7244  -9.806689      5.807177 
1 1 1 20  -11 38 o 11.116  3.2385  8.4625    13.688    56.495    29.488    -4.7297   15.454    15.026  5.5467  7.2074  3.3445  7.818130       6.477002 
1 1 1 20  -10 0  o 126.144 2.6974  2142.10   91.134    2143.01   129.362   2141.20   128.410   126.168 3.8280  126.119 3.8013  0.4899597E-01  5.394716 
1 1 1 20  -10 1  o 47.207  1.7666  301.977   22.098    269.766   32.088    331.033   30.476    44.743  2.6900  49.670  2.2907  -4.927505      3.533184 
1 1 1 20  -10 2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -10 3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -10 4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -10 5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -10 6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -10 7  o 30.549  1.8781  135.479   14.021    87.770    21.296    171.980   18.627    25.345  3.2089  35.753  1.9526  -10.40781      3.756294 
1 1 1 20  -10 8  o 86.309  2.1912  999.991   50.534    1030.22   74.503    974.232   68.773    87.504  3.1788  85.113  3.0167  2.391411       4.382356 
1 1 1 20  -10 9  o 63.058  1.9405  539.818   32.422    486.689   47.958    584.542   44.002    60.151  2.9766  65.965  2.4904  -5.813454      3.881022 
1 1 1 20  -10 10 o 81.248  2.1658  904.330   46.276    741.550   67.509    1048.61   63.557    74.181  3.3977  88.315  2.6868  -14.13367      4.331657 
1 1 1 20  -10 11 o 83.352  2.0791  935.678   46.297    928.423   67.810    942.012   63.365    83.034  3.0489  83.671  2.8274  -0.6374588     4.158138 
1 1 1 20  -10 12 o 29.424  1.7646  120.976   13.252    99.631    20.494    136.316   17.373    27.053  2.8722  31.795  2.0509  -4.741899      3.529268 
1 1 1 20  -10 13 o 55.841  1.7958  421.022   26.631    407.402   40.002    431.864   35.690    55.008  2.7149  56.673  2.3512  -1.664909      3.591500 
1 1 1 20  -10 14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -10 15 o 51.594  1.8632  363.104   25.285    334.570   38.378    384.990   33.611    49.708  2.8950  53.481  2.3464  -3.772606      3.726453 
1 1 1 20  -10 16 o 64.287  1.9423  555.939   33.286    576.997   49.929    539.093   44.657    65.359  2.8521  63.215  2.6375  2.144405       3.884649 
1 1 1 20  -10 17 o 46.476  1.8370  289.554   22.618    317.367   34.564    268.723   29.912    48.398  2.6767  44.554  2.5168  3.844055       3.674068 
1 1 1 20  -10 18 o 90.912  2.3052  1124.32   55.974    1111.34   82.027    1135.62   76.573    90.366  3.3889  91.457  3.1259  -1.090767      4.610403 
1 1 1 20  -10 19 o 96.147  2.4143  1265.62   61.916    1205.76   90.413    1318.48   84.966    93.902  3.5947  98.392  3.2240  -4.490051      4.828695 
1 1 1 20  -10 20 o 75.917  2.1642  787.170   43.788    765.996   64.727    805.039   59.460    74.900  3.2264  76.933  2.8855  -2.032745      4.328462 
1 1 1 20  -10 21 o 58.256  2.0033  462.842   31.010    463.306   46.463    462.470   41.641    58.190  2.9912  58.322  2.6656  -0.1320915     4.006574 
1 1 1 20  -10 22 o 15.723  2.4950  39.258    10.517    17.803    17.003    52.551    13.384    11.966  4.2390  19.480  2.6326  -7.513526      4.989987 
1 1 1 20  -10 23 o 19.174  2.3619  49.974    11.491    66.923    18.317    38.974    14.756    21.837  3.2291  16.512  3.4478  5.325146       4.723812 
1 1 1 20  -10 24 o 20.801  3.7896  62.066    20.336    0.0000    0.0000    62.066    20.336    ?       ?       20.801  3.7896  ?              ?        
1 1 1 20  -10 25 o 16.418  2.6483  35.660    11.230    56.414    18.980    24.479    13.931    19.787  3.7178  13.049  3.7724  6.737274       5.296536 
1 1 1 20  -10 26 o 36.170  2.1129  181.694   19.983    185.798   31.157    178.825   26.045    36.401  3.2291  35.939  2.7259  0.4622841      4.225851 
1 1 1 20  -10 27 o 15.921  2.9155  37.431    12.239    39.074    20.097    36.462    15.431    16.108  4.4900  15.733  3.7202  0.3747272      5.830950 
1 1 1 20  -10 28 o 25.899  2.4934  97.651    16.151    94.022    26.401    99.821    20.417    25.213  4.0461  26.585  2.9150  -1.371752      4.986801 
1 1 1 20  -10 29 o 14.159  3.0521  27.136    12.286    43.567    21.326    18.973    15.031    16.690  4.6156  11.628  3.9947  5.062115       6.104171 
1 1 1 20  -10 30 o 55.566  2.2710  443.682   33.090    452.228   51.784    437.784   43.019    55.663  3.4910  55.468  2.9056  0.1943932      4.541984 
1 1 1 20  -10 31 o 11.010  2.6883  15.865    11.708    -12.5466  20.688    29.253    14.201    8.2769  3.8505  13.743  3.7524  -5.466530      5.376522 
1 1 1 20  -10 32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -10 33 o 18.094  3.6290  53.725    16.111    71.051    34.734    48.976    18.185    18.807  6.0624  17.380  3.9907  1.426891       7.257966 
1 1 1 20  -10 34 o 11.292  3.9778  20.004    14.952    0.0000    0.0000    20.004    14.952    ?       ?       11.292  3.9778  ?              ?        
1 1 1 20  -10 35 o 9.4170  2.8462  7.4524    12.535    -8.9060   25.221    12.819    14.446    9.0463  4.2228  9.7876  3.8174  -0.7413712     5.692485 
1 1 1 20  -10 36 o 13.360  3.3525  34.201    15.720    19.577    29.432    40.039    18.595    11.758  5.0869  14.961  4.3681  -3.202857      6.704940 
1 1 1 20  -10 37 o 15.317  3.4843  48.847    16.262    42.327    31.727    51.171    18.940    13.740  5.5587  16.894  4.2028  -3.154183      6.968651 
1 1 1 20  -10 38 o 8.3938  2.7354  1.5140    12.385    -3.4959   27.101    2.8366    13.924    9.0408  4.2692  7.7468  3.4212  1.294086       5.470892 
1 1 1 20  -9  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  8  o 59.372  2.3521  484.509   35.609    509.510   44.937    442.313   58.379    61.582  2.7243  57.162  3.8352  4.419739       4.704288 
1 1 1 20  -9  9  o 147.357 3.1115  2940.10   122.555   2784.32   175.645   3087.90   171.084   143.494 4.5700  151.221 4.2239  -7.726257      6.222981 
1 1 1 20  -9  10 o 54.584  1.7218  396.573   25.022    463.253   37.258    341.793   33.771    58.730  2.3685  50.439  2.4997  8.291515       3.443557 
1 1 1 20  -9  11 o 12.557  1.8381  20.926    5.9031    28.753    9.5005    16.004    7.5340    14.414  2.5543  10.700  2.6440  3.713451       3.676279 
1 1 1 20  -9  12 f 101.176 2.3537  1383.50   63.589    1331.66   92.568    1429.83   87.502    99.346  3.4787  103.007 3.1715  -3.661118      4.707437 
1 1 1 20  -9  13 o 81.605  2.1024  898.061   45.787    887.797   67.480    906.818   62.332    81.150  3.1045  82.060  2.8359  -0.9095840     4.204812 
1 1 1 20  -9  14 o 7.8630  3.6496  -16.0138  18.417    -16.0138  18.417    0.0000    0.0000    7.8630  3.6496  ?       ?       ?              ?        
1 1 1 20  -9  15 o 25.399  2.1486  96.141    12.935    60.187    20.026    121.878   16.943    20.765  3.7380  30.033  2.1198  -9.268293      4.297226 
1 1 1 20  -9  16 o 93.938  2.3189  1194.72   58.235    1194.19   84.997    1195.19   79.949    93.886  3.3800  93.989  3.1758  -0.1024017     4.637834 
1 1 1 20  -9  17 o 93.791  2.3423  1194.39   58.710    1175.42   85.554    1211.27   80.714    93.042  3.4330  94.539  3.1875  -1.497711      4.684600 
1 1 1 20  -9  18 o 121.653 2.7673  2025.77   90.031    1976.78   129.990   2070.93   124.813   120.156 4.0390  123.149 3.7839  -2.993019      5.534575 
1 1 1 20  -9  19 o 24.651  2.0889  80.867    13.117    111.871   20.546    59.534    17.042    28.611  2.7134  20.691  3.1766  7.920135       4.177749 
1 1 1 20  -9  20 o 38.015  1.9578  199.473   19.458    182.905   29.581    212.108   25.832    36.524  3.0517  39.505  2.4534  -2.981415      3.915658 
1 1 1 20  -9  21 o 28.428  2.1122  114.831   15.187    95.391    23.602    128.568   19.841    26.154  3.4537  30.701  2.4326  -4.547070      4.224397 
1 1 1 20  -9  22 o 21.715  2.2637  65.421    12.510    68.547    19.962    63.399    16.055    22.061  3.4948  21.369  2.8782  0.6919212      4.527399 
1 1 1 20  -9  23 o 18.819  3.1323  50.911    15.125    48.598    19.036    54.873    24.912    18.343  3.9882  19.296  4.8310  -0.9535217     6.264517 
1 1 1 20  -9  24 o 13.146  2.8330  26.173    11.004    9.4531    22.007    31.747    12.707    11.402  4.6236  14.890  3.2751  -3.488321      5.666072 
1 1 1 20  -9  25 o 11.010  2.6342  15.748    9.9887    2.7645    16.349    23.480    12.617    9.2406  3.8871  12.779  3.5561  -3.537995      5.268357 
1 1 1 20  -9  26 o 30.700  2.2721  134.127   17.828    124.178   28.159    140.784   23.032    29.531  3.6369  31.870  2.7243  -2.339691      4.544116 
1 1 1 20  -9  27 o 54.270  2.1702  413.714   30.935    397.405   47.615    425.627   40.694    53.074  3.3668  55.466  2.7391  -2.391819      4.340341 
1 1 1 20  -9  28 o 36.902  2.2857  196.447   21.502    180.068   34.459    206.890   27.516    35.292  3.7004  38.512  2.6842  -3.220425      4.571393 
1 1 1 20  -9  29 o 37.014  2.2584  191.203   21.695    219.138   35.275    174.207   27.515    38.983  3.4127  35.045  2.9589  3.937862       4.516840 
1 1 1 20  -9  30 o 8.6735  2.6621  1.7734    10.417    -0.5728   20.248    2.6179    12.148    9.4090  4.1418  7.9379  3.3456  1.471064       5.324237 
1 1 1 20  -9  31 f 37.815  2.4102  209.570   23.342    218.154   38.321    204.506   29.432    37.984  3.8183  37.645  2.9423  0.3388901      4.820396 
1 1 1 20  -9  32 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -9  33 o 16.923  3.6143  48.452    16.203    59.274    32.394    44.841    18.712    17.396  5.8655  16.450  4.2248  0.9464054      7.228585 
1 1 1 20  -9  34 o 13.057  3.8670  17.201    15.014    58.687    46.132    12.286    15.878    16.160  6.6402  9.9544  3.9650  6.205729       7.733905 
1 1 1 20  -9  35 o 21.338  3.4037  78.554    18.037    89.403    31.830    73.422    21.891    21.560  5.4956  21.116  4.0173  0.4439945      6.807363 
1 1 1 20  -9  36 o 16.919  3.5027  43.223    16.699    95.646    31.586    22.886    19.674    22.126  5.3814  11.712  4.4850  10.41438       7.005307 
1 1 1 20  -9  37 o 13.334  3.1413  36.751    15.639    3.4251    30.973    48.153    18.118    10.226  4.7415  16.441  4.1219  -6.215471      6.282666 
1 1 1 20  -9  38 o 13.602  2.8692  38.967    16.291    -19.1381  29.911    63.475    19.425    8.4678  4.1213  18.736  3.9930  -10.26815      5.738351 
1 1 1 20  -8  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  9  o 82.786  2.0677  920.342   45.787    939.173   66.777    903.634   62.901    83.578  2.9829  81.994  2.8641  1.584023       4.135354 
1 1 1 20  -8  10 f 141.449 2.9236  2698.98   110.688   2842.90   159.158   2564.16   154.041   145.108 4.0949  137.790 4.1738  7.318863       5.847138 
1 1 1 20  -8  11 o 15.469  1.6716  32.616    6.5503    34.046    10.545    31.718    8.3584    15.710  2.5967  15.228  2.1056  0.4823456      3.343103 
1 1 1 20  -8  12 o 56.362  1.8400  429.669   27.482    410.959   41.164    444.715   36.914    55.197  2.7934  57.527  2.3957  -2.329906      3.679978 
1 1 1 20  -8  13 o 26.883  1.8375  98.694    12.817    94.953    19.905    101.344   16.753    26.403  2.8603  27.364  2.3073  -0.9607487     3.674930 
1 1 1 20  -8  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  15 o 78.082  2.1255  824.060   44.323    805.823   64.800    840.094   60.759    77.243  3.1320  78.921  2.8743  -1.677803      4.251031 
1 1 1 20  -8  16 o 36.481  1.8599  182.431   17.790    165.023   26.664    196.396   23.883    34.843  2.8830  38.119  2.3506  -3.275879      3.719814 
1 1 1 20  -8  17 o 86.765  2.2581  1019.70   52.399    1027.13   76.331    1013.09   72.061    87.038  3.2742  86.492  3.1105  0.5455704      4.516144 
1 1 1 20  -8  18 o 47.855  1.9212  313.002   24.286    287.719   36.149    333.801   32.787    45.989  2.9502  49.721  2.4619  -3.731895      3.842459 
1 1 1 20  -8  19 o 38.331  1.9049  200.002   19.252    199.674   29.247    200.253   25.574    38.261  2.8750  38.401  2.5000  -0.1403236     3.809883 
1 1 1 20  -8  20 o 33.829  2.0007  158.990   17.562    141.967   26.828    171.756   23.232    32.122  3.1590  35.535  2.4558  -3.413391      4.001308 
1 1 1 20  -8  21 o 24.117  2.1382  79.428    13.318    86.977    20.999    74.349    17.225    25.028  3.2062  23.206  2.8298  1.821249       4.276390 
1 1 1 20  -8  22 o 36.477  2.0493  185.648   19.368    167.028   29.882    199.138   25.434    34.749  3.2483  38.204  2.4993  -3.455841      4.098516 
1 1 1 20  -8  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -8  24 o 20.818  2.5113  62.771    12.971    57.124    21.128    66.187    16.433    19.843  4.1105  21.793  2.8862  -1.949989      5.022607 
1 1 1 20  -8  25 o 44.971  2.1187  282.099   24.841    268.443   38.692    291.674   32.400    43.870  3.3173  46.072  2.6365  -2.202522      4.237397 
1 1 1 20  -8  26 o 45.826  2.1229  290.458   25.474    300.182   40.089    283.872   32.992    46.323  3.2516  45.328  2.7301  0.9955978      4.245751 
1 1 1 20  -8  27 o 20.300  2.7157  59.133    13.860    65.704    22.755    55.258    17.475    21.047  4.1838  19.553  3.4635  1.493706       5.431372 
1 1 1 20  -8  28 o 15.313  2.8923  37.859    12.732    19.270    21.326    48.153    15.871    12.442  4.6921  18.184  3.3830  -5.741408      5.784564 
1 1 1 20  -8  29 o 25.151  2.5853  88.133    16.404    114.904   27.603    73.516    20.397    27.909  3.7905  22.393  3.5166  5.516670       5.170546 
1 1 1 20  -8  30 o 24.069  2.6719  81.805    16.140    110.044   27.287    66.608    20.017    27.061  3.8754  21.078  3.6795  5.982775       5.343866 
1 1 1 20  -8  31 f 9.9124  2.4760  -16.1164  10.882    37.830    18.998    -42.4615  13.276    15.322  4.3984  4.5028  2.2753  10.81913       4.952082 
1 1 1 20  -8  32 o 12.817  5.2515  22.143    28.754    22.143    28.754    0.0000    0.0000    12.817  5.2515  ?       ?       ?              ?        
1 1 1 20  -8  33 o 19.045  3.4739  71.921    17.992    42.267    36.870    81.191    20.613    15.079  6.0302  23.010  3.4510  -7.931349      6.947844 
1 1 1 20  -8  34 o 25.493  4.2262  126.631   22.860    131.852   57.102    125.635   24.947    22.294  7.7787  28.691  3.3067  -6.396725      8.452353 
1 1 1 20  -8  35 o 8.2885  2.6997  -3.9135   11.405    1.0169    24.427    -5.2879   12.897    9.7523  4.4022  6.8247  3.1263  2.927654       5.399387 
1 1 1 20  -8  36 o 24.374  3.5397  121.193   21.171    82.706    37.129    139.736   25.772    18.821  6.2798  29.926  3.2683  -11.10481      7.079430 
1 1 1 20  -8  37 o 9.9943  3.0568  9.7088    13.266    22.355    26.252    5.3721    15.373    11.500  4.8860  8.4889  3.6745  3.010752       6.113528 
1 1 1 20  -7  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  9  o 33.986  1.6136  156.139   14.451    152.763   21.939    158.726   19.206    33.642  2.4516  34.330  2.0988  -0.6885643     3.227251 
1 1 1 20  -7  10 o 87.422  2.1059  1023.76   49.198    1123.79   71.991    936.113   67.390    91.418  2.9401  83.427  3.0158  7.990639       4.211772 
1 1 1 20  -7  11 o 34.584  1.6801  158.920   15.347    185.984   23.429    138.583   20.310    37.136  2.3678  32.033  2.3843  5.103657       3.360211 
1 1 1 20  -7  12 o 92.389  2.2997  1157.13   56.560    1053.24   82.013    1251.36   78.106    88.372  3.4648  96.406  3.0248  -8.033417      4.599371 
1 1 1 20  -7  13 o 81.186  2.1532  889.857   46.693    860.126   67.917    916.506   64.300    79.877  3.1744  82.496  2.9100  -2.619667      4.306389 
1 1 1 20  -7  14 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  15 o 66.536  1.9835  594.202   35.265    650.497   51.800    545.572   48.145    69.464  2.7841  63.609  2.8258  5.854713       3.966918 
1 1 1 20  -7  16 o 11.698  2.1957  19.970    7.5260    8.2950    11.786    28.008    9.7795    9.2123  3.4848  14.183  2.6723  -4.970973      4.391440 
1 1 1 20  -7  17 o 58.005  1.9508  453.305   30.209    469.327   44.885    440.039   40.843    58.924  2.8439  57.087  2.6711  1.837032       3.901651 
1 1 1 20  -7  18 o 59.910  1.9894  485.134   31.799    493.500   47.276    478.221   42.973    60.355  2.9244  59.464  2.6980  0.8910294      3.978864 
1 1 1 20  -7  19 o 26.531  2.2296  103.160   14.394    72.002    22.219    125.690   18.894    22.644  3.7978  30.417  2.3369  -7.772833      4.459202 
1 1 1 20  -7  20 o 56.649  2.0360  438.950   30.518    420.615   45.919    453.454   40.842    55.475  3.1028  57.823  2.6370  -2.348042      4.071998 
1 1 1 20  -7  21 o 55.114  2.0295  414.190   29.643    415.705   44.914    413.020   39.457    55.102  3.0551  55.126  2.6723  -0.2397919E-01 4.058921 
1 1 1 20  -7  22 o 52.989  2.0501  385.539   28.678    373.343   43.597    394.842   38.075    52.116  3.1378  53.862  2.6392  -1.746220      4.100118 
1 1 1 20  -7  23 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  24 o 23.339  2.4420  78.932    14.135    68.759    22.696    85.378    18.067    21.846  4.0271  24.831  2.7633  -2.985292      4.883981 
1 1 1 20  -7  25 o 12.604  2.4752  23.420    10.407    -1.6279   17.130    38.075    13.103    8.8538  3.8555  16.353  3.1049  -7.499525      4.950312 
1 1 1 20  -7  26 o 29.922  2.3284  128.421   17.546    117.025   28.355    135.492   22.337    28.574  3.7990  31.270  2.6932  -2.696150      4.656759 
1 1 1 20  -7  27 o 44.396  2.1894  277.923   25.269    268.652   39.758    284.206   32.730    43.537  3.4373  45.254  2.7127  -1.716492      4.378847 
1 1 1 20  -7  28 o 29.165  2.4508  123.184   18.026    119.110   29.367    125.647   22.834    28.470  3.9582  29.860  2.8912  -1.389734      4.901692 
1 1 1 20  -7  29 o 24.963  2.6945  90.274    16.811    100.504   28.286    84.688    20.903    25.765  4.2467  24.160  3.3177  1.605326       5.389064 
1 1 1 20  -7  30 o 15.708  3.0062  42.168    14.052    18.028    24.052    54.679    17.315    12.279  4.8834  19.137  3.5073  -6.858174      6.012340 
1 1 1 20  -7  31 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -7  32 o 42.960  3.9829  287.017   45.309    287.017   45.309    0.0000    0.0000    42.960  3.9829  ?       ?       ?              ?        
1 1 1 20  -7  33 o 26.745  3.6492  123.592   21.217    125.931   44.295    122.895   24.170    24.884  6.5547  28.607  3.2098  -3.723541      7.298404 
1 1 1 20  -7  34 o 17.864  3.9754  60.691    18.300    61.853    52.646    60.531    19.517    16.348  6.9314  19.380  3.8949  -3.031719      7.950766 
1 1 1 20  -7  35 o 30.546  3.1682  159.011   22.808    151.346   40.118    162.671   27.724    28.463  5.4608  32.629  3.2140  -4.165272      6.336446 
1 1 1 20  -7  36 o 19.223  3.5950  73.369    18.204    67.518    34.506    75.625    21.429    17.134  6.0421  21.313  3.8974  -4.179331      7.190001 
1 1 1 20  -7  37 o 12.383  3.3614  29.830    15.198    24.832    31.089    31.400    17.422    11.811  5.1671  12.955  4.3008  -1.144582      6.722782 
1 1 1 20  -6  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  8  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -6  9  o 120.990 2.6795  1980.81   86.453    1832.17   124.902   2117.52   119.785   116.572 4.0002  125.408 3.5661  -8.835663      5.358979 
1 1 1 20  -6  10 o 44.523  1.9196  282.142   21.418    187.637   31.794    360.657   28.980    37.204  3.2225  51.842  2.0870  -14.63800      3.839274 
1 1 1 20  -6  11 o 172.528 3.5089  4037.93   162.110   4005.58   231.267   4069.19   227.302   171.820 5.0251  173.235 4.8987  -1.414505      7.017770 
1 1 1 20  -6  12 o 34.242  1.8461  162.671   16.332    129.393   24.153    190.710   22.170    30.865  2.9577  37.618  2.2100  -6.752874      3.692132 
1 1 1 20  -6  13 o 93.488  2.3612  1188.67   58.624    1043.23   84.603    1323.00   81.309    87.888  3.5939  99.088  3.0636  -11.19946      4.722487 
1 1 1 20  -6  14 o 64.361  3.7485  562.416   64.340    0.0000    0.0000    562.416   64.340    ?       ?       64.361  3.7485  ?              ?        
1 1 1 20  -6  15 o 54.228  1.9252  398.195   27.731    383.865   41.129    410.140   37.551    53.269  2.8935  55.186  2.5404  -1.917599      3.850414 
1 1 1 20  -6  16 o 65.920  2.0123  584.397   35.440    617.929   52.467    556.260   48.061    67.643  2.8958  64.198  2.7950  3.445793       4.024692 
1 1 1 20  -6  17 o 46.481  1.9104  292.504   23.539    295.185   35.332    290.364   31.565    46.644  2.8415  46.318  2.5542  0.3263512      3.820768 
1 1 1 20  -6  18 o 68.332  2.0744  630.812   37.849    655.780   56.186    610.070   51.211    69.543  3.0164  67.120  2.8485  2.422699       4.148808 
1 1 1 20  -6  19 o 72.538  2.1446  713.723   41.518    730.039   61.662    700.192   56.155    73.256  3.1426  71.819  2.9191  1.436623       4.289176 
1 1 1 20  -6  20 o 89.334  2.3786  1093.27   56.662    1064.80   83.503    1117.57   77.138    88.157  3.5363  90.510  3.1819  -2.352341      4.757115 
1 1 1 20  -6  21 o 37.942  2.0648  200.959   20.268    178.048   31.285    217.531   26.608    35.918  3.2884  39.967  2.4980  -4.049603      4.129612 
1 1 1 20  -6  22 o 46.289  2.5817  298.346   30.590    300.789   38.620    294.234   50.113    46.773  3.1003  45.805  4.1290  0.9684181      5.163340 
1 1 1 20  -6  23 o 20.846  2.4340  59.990    12.722    67.166    21.158    55.926    15.921    21.715  3.7746  19.976  3.0741  1.739185       4.868045 
1 1 1 20  -6  24 o 6.1681  1.9879  -8.8203   7.8072    -28.5729  13.923    0.2387    9.4291    5.4818  2.6975  6.8544  2.9207  -1.372662      3.975795 
1 1 1 20  -6  25 o 14.982  2.8353  33.613    11.462    27.478    19.280    36.966    14.254    13.945  4.5189  16.019  3.4257  -2.074002      5.670638 
1 1 1 20  -6  26 o 15.607  2.8677  37.572    12.103    27.128    20.300    43.333    15.076    13.870  4.6434  17.344  3.3666  -3.473818      5.735417 
1 1 1 20  -6  27 o 17.048  2.9022  41.672    12.576    49.831    21.648    37.516    15.451    18.140  4.4815  15.957  3.6889  2.183479       5.804492 
1 1 1 20  -6  28 o 42.936  2.2365  257.886   25.055    279.147   40.047    244.210   32.118    44.186  3.4101  41.686  2.8944  2.499950       4.472911 
1 1 1 20  -6  29 o 10.842  2.9019  14.447    11.625    3.4418    21.240    19.153    13.890    10.130  4.3515  11.555  3.8403  -1.425655      5.803720 
1 1 1 20  -6  30 o 14.135  2.7689  33.556    13.091    0.0082    22.839    49.971    15.976    9.9443  4.3872  18.325  3.3794  -8.380713      5.537828 
1 1 1 20  -6  31 o 28.351  3.1116  117.758   23.241    0.0000    0.0000    117.758   23.241    ?       ?       28.351  3.1116  ?              ?        
1 1 1 20  -6  32 o 23.970  5.0528  98.120    31.418    98.120    31.418    0.0000    0.0000    23.970  5.0528  ?       ?       ?              ?        
1 1 1 20  -6  33 o 17.061  4.0978  47.502    18.490    0.0000    0.0000    47.502    18.490    ?       ?       17.061  4.0978  ?              ?        
1 1 1 20  -6  34 o 23.053  3.1793  79.879    17.712    120.134   33.052    63.660    20.979    26.387  4.8554  19.718  4.1056  6.668938       6.358508 
1 1 1 20  -6  35 o 12.736  3.3157  28.409    15.007    17.791    28.254    32.582    17.712    11.749  5.0321  13.724  4.3190  -1.975165      6.631458 
1 1 1 20  -6  36 o 7.1000  2.4209  -13.9850  11.710    -17.8940  23.636    -12.7132  13.481    8.0219  3.8436  6.1780  2.9444  1.843907       4.841809 
1 1 1 20  -6  37 o 11.355  3.1954  23.795    14.967    9.4396    29.466    28.786    17.375    10.349  4.7350  12.362  4.2921  -2.013147      6.390836 
1 1 1 20  -5  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  8  o 14.778  1.9376  30.971    7.2272    26.545    11.240    34.090    9.4367    13.781  3.1178  15.774  2.3013  -1.992549      3.875169 
1 1 1 20  -5  9  f 97.759  2.3357  1286.28   61.080    1274.86   88.434    1296.70   84.464    97.331  3.3922  98.186  3.2117  -0.8546295     4.671365 
1 1 1 20  -5  10 o 107.395 2.5340  1563.57   72.414    1391.46   104.059   1725.18   100.834   101.584 3.8244  113.206 3.3255  -11.62144      5.067990 
1 1 1 20  -5  11 o 69.441  2.0706  657.201   38.001    559.303   55.332    744.603   52.281    64.451  3.2052  74.431  2.6224  -9.979752      4.141298 
1 1 1 20  -5  12 o 104.750 2.4701  1480.43   69.233    1469.93   99.995    1490.10   95.952    104.375 3.5768  105.124 3.4077  -0.7495728     4.940210 
1 1 1 20  -5  13 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  14 o 76.096  2.1552  786.045   43.624    721.946   63.813    842.282   59.771    73.126  3.2580  79.065  2.8224  -5.938835      4.310475 
1 1 1 20  -5  15 o 72.399  2.0967  707.885   40.523    701.431   59.654    713.416   55.218    72.069  3.0903  72.730  2.8345  -0.6612015     4.193396 
1 1 1 20  -5  16 o 38.673  1.8811  202.112   19.222    207.269   29.163    198.150   25.560    39.085  2.8044  38.261  2.5079  0.8232422      3.762227 
1 1 1 20  -5  17 f 20.336  2.2871  60.772    11.387    43.588    17.706    72.893    14.871    17.551  3.8705  23.122  2.4379  -5.570742      4.574265 
1 1 1 20  -5  18 f 78.192  2.1756  824.786   45.428    904.871   67.330    757.864   61.548    81.655  3.0785  74.729  3.0749  6.925545       4.351120 
1 1 1 20  -5  19 o 51.688  2.0130  364.728   27.477    351.888   41.681    374.596   36.541    50.778  3.0792  52.599  2.5937  -1.820797      4.025945 
1 1 1 20  -5  20 o 30.729  2.0605  131.010   16.331    122.285   25.554    137.033   21.232    29.755  3.2597  31.702  2.5212  -1.947296      4.120930 
1 1 1 20  -5  21 o 21.145  2.2352  60.580    12.085    74.085    19.207    51.730    15.549    23.067  3.1945  19.223  3.1273  3.844110       4.470376 
1 1 1 20  -5  22 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  23 o 32.119  2.1086  139.380   17.648    160.206   28.165    125.916   22.646    34.018  3.1260  30.221  2.8306  3.797581       4.217167 
1 1 1 20  -5  24 o 33.114  2.1210  148.079   18.255    171.753   29.489    133.371   23.243    35.158  3.1655  31.070  2.8239  4.088354       4.241974 
1 1 1 20  -5  25 o 9.4074  2.6521  6.1472    9.4723    11.681    16.875    3.6016    11.446    10.735  4.1428  8.0796  3.3122  2.655670       5.304107 
1 1 1 20  -5  26 o 32.068  2.2951  145.918   18.727    140.093   30.348    149.500   23.798    31.318  3.6886  32.819  2.7321  -1.500956      4.590199 
1 1 1 20  -5  27 o 42.198  2.2700  253.866   24.657    239.400   39.320    263.241   31.654    40.898  3.6271  43.499  2.7306  -2.601391      4.540042 
1 1 1 20  -5  28 o 40.225  2.3019  227.531   23.983    244.990   38.924    216.846   30.450    41.223  3.5602  39.228  2.9189  1.994606       4.603774 
1 1 1 20  -5  29 o 22.587  2.9176  75.701    16.276    83.890    27.873    71.464    20.048    23.155  4.6556  22.018  3.5179  1.137287       5.835232 
1 1 1 20  -5  30 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -5  31 o 16.584  3.4238  47.293    16.837    32.822    25.650    58.249    22.318    14.234  5.1857  18.935  4.4720  -4.700910      6.847628 
1 1 1 20  -5  32 o 17.946  5.5701  59.059    29.575    59.059    29.575    0.0000    0.0000    17.946  5.5701  ?       ?       ?              ?        
1 1 1 20  -5  33 o 25.561  3.4450  99.765    22.985    0.0000    0.0000    99.765    22.985    ?       ?       25.561  3.4450  ?              ?        
1 1 1 20  -5  34 o 7.9654  2.5387  -3.9797   11.819    -36.9492  24.580    5.9342    13.479    7.3796  3.6220  8.5513  3.5584  -1.171741      5.077458 
1 1 1 20  -5  35 o 8.6296  2.8138  -5.8081   12.784    7.3635    25.788    -10.1002  14.721    10.454  4.6344  6.8050  3.1925  3.649136       5.627555 
1 1 1 20  -5  36 o 8.4812  2.8162  -8.2378   12.335    11.923    27.863    -13.1519  13.756    10.764  4.7921  6.1984  2.9597  4.565615       5.632407 
1 1 1 20  -4  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -4  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -4  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -4  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -4  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -4  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -4  6  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -4  7  o 101.916 3.2033  1408.94   85.500    1781.65   123.819   1069.26   118.207   115.009 4.0194  88.822  4.9888  26.18635       6.406551 
1 1 1 20  -4  8  o 24.710  1.9225  87.147    11.753    59.428    17.359    110.607   15.970    20.782  3.2230  28.638  2.0966  -7.855911      3.844935 
1 1 1 20  -4  9  o 66.883  1.9849  599.522   35.496    627.053   52.119    575.703   48.477    68.308  2.8486  65.458  2.7649  2.850082       3.969822 
1 1 1 20  -4  10 f 107.500 2.5833  1570.36   73.749    1379.92   106.526   1745.64   102.201   101.135 3.9325  113.865 3.3510  -12.72926      5.166580 
1 1 1 20  -4  11 o 134.918 2.9582  2466.44   106.640   2332.22   153.306   2592.27   148.435   131.300 4.3592  138.536 4.0002  -7.236755      5.916439 
1 1 1 20  -4  12 o 91.515  2.2815  1125.42   55.845    1199.25   81.518    1060.13   76.660    94.335  3.2262  88.694  3.2269  5.640549       4.563039 
1 1 1 20  -4  13 o 25.578  2.2069  83.302    13.780    106.532   25.672    73.900    16.332    27.871  3.5172  23.284  2.6667  4.587172       4.413837 
1 1 1 20  -4  14 o 73.327  2.0866  722.866   40.887    755.595   60.341    695.081   55.596    74.847  3.0099  71.807  2.8906  3.039902       4.173136 
1 1 1 20  -4  15 o 74.083  2.1303  741.374   42.115    737.871   62.198    744.340   57.232    73.894  3.1425  74.271  2.8769  -0.3769760     4.260513 
1 1 1 20  -4  16 o 28.510  1.9790  112.729   14.528    100.440   22.394    121.659   19.090    27.066  3.1477  29.954  2.3996  -2.887228      3.958012 
1 1 1 20  -4  17 o 20.370  2.1243  56.607    11.093    61.831    17.435    53.054    14.379    21.128  3.1794  19.612  2.8182  1.515776       4.248637 
1 1 1 20  -4  18 o 17.321  2.4366  46.941    10.635    24.311    16.836    61.965    13.718    13.362  4.2116  21.280  2.4516  -7.917656      4.873154 
1 1 1 20  -4  19 o 16.516  2.4135  38.286    10.072    39.548    16.406    37.523    12.759    16.668  3.7637  16.364  3.0223  0.3046360      4.826993 
1 1 1 20  -4  20 o 23.164  2.3451  78.237    13.279    62.036    21.305    88.530    16.982    20.893  3.9519  25.434  2.5261  -4.541183      4.690259 
1 1 1 20  -4  21 o 25.490  5.5136  95.784    36.549    95.784    36.549    0.0000    0.0000    25.490  5.5136  ?       ?       ?              ?        
1 1 1 20  -4  22 o 17.543  2.5925  43.120    11.467    47.670    18.950    40.491    14.403    18.191  3.9983  16.896  3.3010  1.294525       5.184942 
1 1 1 20  -4  23 o 35.246  2.0767  166.146   19.109    202.859   30.536    142.513   24.500    38.348  2.9967  32.144  2.8760  6.204418       4.153454 
1 1 1 20  -4  24 o 13.129  2.8272  22.367    10.656    33.666    17.825    16.083    13.293    15.200  4.2256  11.058  3.7573  4.141808       5.654465 
1 1 1 20  -4  25 o 22.656  2.4762  71.914    14.099    78.293    23.320    68.240    17.699    23.301  3.8725  22.010  3.0872  1.291183       4.952439 
1 1 1 20  -4  26 o 24.232  2.6124  87.120    15.521    75.468    25.406    94.058    19.605    22.549  4.3643  25.916  2.8726  -3.367531      5.224859 
1 1 1 20  -4  27 o 13.288  2.9697  26.496    12.044    16.805    20.523    31.588    14.876    11.990  4.5833  14.585  3.7776  -2.595930      5.939413 
1 1 1 20  -4  28 o 39.729  2.3990  229.611   24.280    214.212   39.211    239.188   30.921    38.216  3.8847  41.243  2.8159  -3.027466      4.797982 
1 1 1 20  -4  29 o 11.252  2.9450  12.102    11.236    29.273    20.693    4.9223    13.380    13.865  4.6879  8.6381  3.5658  5.226889       5.889956 
1 1 1 20  -4  30 o 10.682  3.8327  15.700    13.942    0.0000    0.0000    15.700    13.942    ?       ?       10.682  3.8327  ?              ?        
1 1 1 20  -4  31 o 20.902  5.2990  75.746    29.707    75.746    29.707    0.0000    0.0000    20.902  5.2990  ?       ?       ?              ?        
1 1 1 20  -4  32 o 17.718  3.3905  54.078    15.792    51.051    29.192    55.330    18.777    16.702  5.5681  18.733  3.8701  -2.031284      6.780941 
1 1 1 20  -4  33 o 12.337  4.1546  24.266    16.252    0.0000    0.0000    24.266    16.252    ?       ?       12.337  4.1546  ?              ?        
1 1 1 20  -4  34 o 18.709  3.2404  71.782    18.190    25.587    32.926    92.075    21.823    13.010  5.4968  24.408  3.4329  -11.39828      6.480721 
1 1 1 20  -4  35 o 23.900  3.4860  97.026    19.930    122.927   37.349    86.716    23.565    24.913  5.7182  22.887  3.9890  2.025627       6.972019 
1 1 1 20  -4  36 o 10.633  3.0511  16.752    14.966    -14.7405  30.585    26.666    17.160    9.1081  4.3663  12.158  4.2630  -3.049765      6.102239 
1 1 1 20  -3  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -3  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -3  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -3  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -3  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -3  5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -3  6  o 58.812  1.7429  463.426   27.389    510.437   39.546    420.090   37.969    61.677  2.3938  55.946  2.5338  5.730541       3.485759 
1 1 1 20  -3  7  o 29.893  1.7119  121.090   13.508    116.767   19.997    124.719   18.320    29.381  2.5668  30.404  2.2658  -1.023085      3.423787 
1 1 1 20  -3  8  o 101.307 2.4554  1382.96   66.504    1344.22   96.206    1418.41   92.033    99.930  3.5943  102.685 3.3462  -2.755356      4.910825 
1 1 1 20  -3  9  o 66.864  2.0533  603.278   36.561    576.250   53.974    626.195   49.700    65.459  3.0784  68.268  2.7180  -2.809067      4.106583 
1 1 1 20  -3  10 o 194.435 3.9381  5141.48   205.017   5095.42   293.149   5185.57   286.829   193.537 5.6550  195.333 5.4822  -1.795929      7.876187 
1 1 1 20  -3  11 o 46.918  1.8711  295.702   23.293    307.807   35.076    286.153   31.153    47.763  2.7535  46.073  2.5342  1.689411       3.742153 
1 1 1 20  -3  12 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -3  13 o 108.813 2.5289  1596.18   73.612    1691.50   107.319   1511.49   101.159   111.872 3.5815  105.755 3.5712  6.117538       5.057745 
1 1 1 20  -3  14 o 38.159  1.9763  203.674   19.351    163.271   29.406    234.535   25.700    34.625  3.2071  41.693  2.3103  -7.068012      3.952640 
1 1 1 20  -3  15 o 87.138  2.3229  1031.87   53.911    976.733   79.232    1079.40   73.566    84.905  3.4840  89.371  3.0732  -4.465561      4.645727 
1 1 1 20  -3  16 o 27.824  1.9729  106.155   14.244    102.475   22.060    108.786   18.653    27.352  3.0638  28.295  2.4864  -0.9436893     3.945774 
1 1 1 20  -3  17 o 28.660  2.0523  115.498   14.944    97.574    23.255    128.105   19.504    26.598  3.3377  30.722  2.3889  -4.123497      4.104503 
1 1 1 20  -3  18 f 19.808  2.2378  53.638    11.213    59.088    18.212    50.311    14.230    20.560  3.4279  19.057  2.8774  1.503040       4.475502 
1 1 1 20  -3  19 f 34.588  1.9865  162.672   17.964    167.932   28.136    159.052   23.340    35.005  3.0308  34.171  2.5689  0.8336182      3.973002 
1 1 1 20  -3  20 o 21.328  2.4431  68.100    12.593    48.982    20.220    80.213    16.095    18.460  4.1858  24.195  2.5205  -5.735565      4.886114 
1 1 1 20  -3  21 o 13.809  4.0009  27.044    15.654    0.0000    0.0000    27.044    15.654    ?       ?       13.809  4.0009  ?              ?        
1 1 1 20  -3  22 o 62.375  2.1250  528.794   35.233    563.102   53.848    503.110   46.591    64.070  3.1378  60.680  2.8666  3.390011       4.250088 
1 1 1 20  -3  23 o 15.828  2.7245  38.977    11.379    24.706    19.591    46.242    13.978    13.519  4.5614  18.138  2.9808  -4.619577      5.448996 
1 1 1 20  -3  24 o 19.997  2.6829  59.734    13.260    49.756    21.808    65.586    16.701    18.350  4.4768  21.645  2.9582  -3.295332      5.365858 
1 1 1 20  -3  25 o 17.916  2.7651  46.042    12.469    50.439    20.972    43.639    15.508    18.437  4.3220  17.395  3.4502  1.042078       5.530200 
1 1 1 20  -3  26 o 25.879  2.6576  100.472   16.721    83.690    27.431    110.395   21.093    23.669  4.4912  28.089  2.8426  -4.420527      5.315212 
1 1 1 20  -3  27 o 29.124  2.4612  117.455   18.253    141.173   30.639    104.405   22.727    31.187  3.7426  27.060  3.1974  4.127626       4.922432 
1 1 1 20  -3  28 o 5.2742  1.8092  -14.0068  7.2224    -36.2094  15.639    -7.9875   8.1428    5.5034  2.7349  5.0451  2.3693  0.4582925      3.618444 
1 1 1 20  -3  29 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -3  30 o 11.815  3.1214  19.478    12.831    14.257    23.838    21.608    15.224    11.630  4.7753  12.000  4.0211  -0.3707066     6.242826 
1 1 1 20  -3  31 o 12.922  5.0418  24.186    25.207    24.186    25.207    0.0000    0.0000    12.922  5.0418  ?       ?       ?              ?        
1 1 1 20  -3  32 o 29.333  3.1488  126.611   21.611    171.946   42.580    110.881   25.081    31.694  5.1959  26.972  3.5586  4.722010       6.297691 
1 1 1 20  -3  33 o 18.437  4.1741  62.035    19.142    73.055    57.092    60.639    20.318    17.485  7.3036  19.389  4.0433  -1.903608      8.348109 
1 1 1 20  -3  34 o 15.162  3.0310  45.449    16.148    -2.1944   31.223    62.844    18.867    10.454  4.8167  19.869  3.6806  -9.414672      6.061995 
1 1 1 20  -3  35 o 14.071  3.3682  19.079    14.601    79.997    31.095    1.8477    16.538    19.729  5.6152  8.4129  3.7212  11.31660       6.736337 
1 1 1 20  -2  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -2  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -2  2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -2  3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -2  4  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -2  5  o 80.332  2.0453  866.010   43.966    879.151   63.799    854.125   60.672    80.908  2.9440  79.756  2.8401  1.152138       4.090629 
1 1 1 20  -2  6  o 96.032  2.2932  1242.05   58.857    1189.14   84.879    1291.05   81.686    94.045  3.3696  98.020  3.1113  -3.975349      4.586325 
1 1 1 20  -2  7  o 141.094 2.9943  2683.68   113.126   2699.80   162.152   2668.39   157.902   141.497 4.2785  140.691 4.1902  0.8059235      5.988550 
1 1 1 20  -2  8  o 10.459  2.1569  13.506    6.5214    21.957    10.482    8.1677    8.3301    12.535  3.1311  8.3834  2.9673  4.151266       4.313828 
1 1 1 20  -2  9  o 118.835 2.7153  1902.06   86.344    1949.09   125.450   1859.72   119.020   120.218 3.8959  117.453 3.7833  2.765221       5.430619 
1 1 1 20  -2  10 o 17.618  2.1484  41.012    9.5227    62.521    15.104    26.821    12.268    21.399  2.6949  13.837  3.3467  7.562067       4.296825 
1 1 1 20  -2  11 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -2  12 o 95.488  2.4711  1241.78   62.626    1116.10   91.767    1351.32   85.678    90.864  3.7706  100.113 3.1951  -9.248856      4.942278 
1 1 1 20  -2  13 o 19.311  2.3108  44.625    10.662    72.830    20.512    34.184    12.480    22.970  3.4398  15.652  3.0865  7.318282       4.621523 
1 1 1 20  -2  14 o 39.082  2.2634  203.808   21.515    217.598   39.782    198.108   25.578    39.889  3.7681  38.274  2.5089  1.614769       4.526896 
1 1 1 20  -2  15 o 67.900  2.6578  646.539   43.558    581.796   78.676    675.156   52.306    65.075  4.5423  70.725  2.7612  -5.650352      5.315647 
1 1 1 20  -2  16 o 46.400  1.9325  289.155   23.716    312.807   36.426    271.751   31.245    48.014  2.8451  44.787  2.6160  3.226608       3.864954 
1 1 1 20  -2  17 o 29.381  2.0300  119.631   15.360    109.782   23.934    126.528   20.029    28.252  3.2205  30.509  2.4722  -2.257505      4.059958 
1 1 1 20  -2  18 o 15.562  2.3272  31.047    9.4792    55.161    15.572    16.851    11.948    19.937  3.0098  11.187  3.5503  8.750097       4.654443 
1 1 1 20  -2  19 o 27.553  2.1245  105.803   14.918    98.771    23.763    110.377   19.164    26.674  3.4036  28.431  2.5435  -1.756859      4.248963 
1 1 1 20  -2  20 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -2  21 f 32.053  2.1487  143.408   17.667    133.572   28.003    149.912   22.770    30.996  3.4305  33.110  2.5882  -2.114004      4.297309 
1 1 1 20  -2  22 o 36.946  2.0911  185.381   20.159    201.778   32.144    174.751   25.881    38.207  3.1697  35.686  2.7284  2.520519       4.182202 
1 1 1 20  -2  23 o 40.173  2.1052  219.749   22.128    239.752   35.122    206.582   28.495    41.592  3.1767  38.754  2.7632  2.838192       4.210307 
1 1 1 20  -2  24 o 27.369  2.2824  101.434   16.057    123.598   26.239    88.166    20.301    29.650  3.3635  25.087  3.0863  4.562456       4.564896 
1 1 1 20  -2  25 o 20.176  2.8276  65.806    13.938    41.044    23.507    79.230    17.308    16.531  4.9337  23.821  2.7641  -7.289907      5.655236 
1 1 1 20  -2  26 o 18.649  2.5989  40.489    13.006    102.152   23.196    12.209    15.708    26.778  3.3041  10.520  4.0125  16.25854       5.197803 
1 1 1 20  -2  27 o 17.623  3.0417  45.967    13.524    51.528    23.952    43.364    16.386    18.156  4.8379  17.090  3.6880  1.066877       6.083302 
1 1 1 20  -2  28 o 21.760  4.7566  74.605    26.950    74.605    26.950    0.0000    0.0000    21.760  4.7566  ?       ?       ?              ?        
1 1 1 20  -2  29 o 41.951  2.4660  257.496   26.431    261.510   43.525    255.150   33.266    41.703  3.9434  42.199  2.9619  -0.4961472     4.931905 
1 1 1 20  -2  30 o 34.877  2.5671  179.860   22.582    190.996   38.117    173.838   28.031    35.174  4.1240  34.579  3.0580  0.5957069      5.134116 
1 1 1 20  -2  31 o 15.207  5.3009  39.675    26.515    39.675    26.515    0.0000    0.0000    15.207  5.3009  ?       ?       ?              ?        
1 1 1 20  -2  32 o 11.786  4.1418  21.174    16.203    0.0000    0.0000    21.174    16.203    ?       ?       11.786  4.1418  ?              ?        
1 1 1 20  -2  33 o 14.457  3.5365  26.688    15.311    64.826    30.964    14.345    17.615    18.344  5.7005  10.571  4.1871  7.772639       7.072971 
1 1 1 20  -2  34 o 13.537  3.5695  26.940    15.208    51.671    31.457    19.396    17.373    15.858  5.7480  11.216  4.2338  4.641818       7.138936 
1 1 1 20  -2  35 o 13.288  3.5522  23.846    15.277    63.854    32.084    12.115    17.373    16.765  5.8318  9.8105  4.0575  6.954124       7.104492 
1 1 1 20  -1  0  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -1  1  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -1  2  o 104.073 2.9524  1478.92   76.140    1515.41   92.300    1401.20   134.699   106.214 3.2444  101.932 4.9336  4.281761       5.904790 
1 1 1 20  -1  3  o 121.885 2.6162  1997.98   85.399    2025.61   120.384   1969.98   121.164   122.738 3.6618  121.031 3.7376  1.707207       5.232440 
1 1 1 20  -1  4  o 173.631 3.4593  4067.88   160.879   4036.50   227.011   4099.53   228.027   172.956 4.9003  174.306 4.8841  -1.349518      6.918618 
1 1 1 20  -1  5  o 121.960 2.5986  2001.56   84.865    2038.01   119.450   1964.41   120.594   123.089 3.6231  120.831 3.7262  2.258492       5.197188 
1 1 1 20  -1  6  o 59.082  1.7843  468.356   28.230    456.020   39.473    481.269   40.388    58.285  2.5285  59.878  2.5182  -1.592403      3.568558 
1 1 1 20  -1  7  o 66.765  1.9274  598.556   34.462    586.578   48.241    611.039   49.248    66.084  2.7254  67.447  2.7260  -1.363785      3.854747 
1 1 1 20  -1  8  f 112.499 2.5779  1704.83   77.679    1694.64   109.582   1715.12   110.129   112.160 3.6476  112.837 3.6438  -0.6766815     5.155851 
1 1 1 20  -1  9  o 136.231 2.9254  2506.66   106.725   2450.63   150.913   2562.71   150.951   134.696 4.1830  137.767 4.0907  -3.071091      5.850761 
1 1 1 20  -1  10 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -1  11 o 116.865 2.6183  1844.66   81.958    1858.17   115.998   1831.19   115.815   117.296 3.6922  116.435 3.7136  0.8603439      5.236672 
1 1 1 20  -1  12 o 28.723  1.7480  111.815   13.307    107.160   18.792    116.498   18.847    28.112  2.5226  29.334  2.4204  -1.222162      3.495932 
1 1 1 20  -1  13 f 101.262 2.4061  1386.30   65.259    1378.24   92.234    1394.38   92.346    100.965 3.4106  101.560 3.3948  -0.5940552     4.812115 
1 1 1 20  -1  14 o 50.897  1.8037  349.526   24.548    350.679   34.601    348.357   34.832    51.016  2.5322  50.778  2.5694  0.2374840      3.607424 
1 1 1 20  -1  15 o 29.701  1.7976  119.924   14.150    124.946   19.958    114.849   20.064    30.342  2.4774  29.061  2.6053  1.281250       3.595102 
1 1 1 20  -1  16 o 65.052  1.9643  572.447   34.223    577.676   48.220    567.139   48.580    65.356  2.7545  64.747  2.8012  0.6095505      3.928658 
1 1 1 20  -1  17 f 52.623  1.8752  375.527   26.358    390.131   37.103    360.648   37.451    53.707  2.5792  51.539  2.7226  2.167442       3.750314 
1 1 1 20  -1  18 o 18.090  2.1013  45.938    9.7120    55.337    13.808    36.736    13.663    20.043  2.6359  16.136  3.2732  3.906786       4.202600 
1 1 1 20  -1  19 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  -1  20 o 20.901  2.0177  60.692    10.940    67.446    15.516    54.016    15.427    22.122  2.6728  19.680  3.0234  2.442190       4.035436 
1 1 1 20  -1  21 o 24.684  1.9895  84.395    12.844    93.206    18.134    75.525    18.195    26.041  2.6362  23.326  2.9804  2.714783       3.978948 
1 1 1 20  -1  22 o 25.090  1.9976  87.449    13.099    97.476    18.486    77.337    18.564    26.611  2.6279  23.569  3.0093  3.041542       3.995180 
1 1 1 20  -1  23 o 27.128  1.9354  101.745   13.868    99.092    19.410    104.512   19.821    26.761  2.7468  27.496  2.7273  -0.7349606     3.870831 
1 1 1 20  -1  24 o 19.338  2.2395  53.470    11.098    61.652    15.602    45.089    15.791    20.977  2.8507  17.700  3.4547  3.276686       4.479035 
1 1 1 20  -1  25 o 22.505  2.1571  71.509    12.653    67.314    17.590    76.007    18.215    21.792  3.1011  23.218  2.9992  -1.425718      4.314158 
1 1 1 20  -1  26 o 29.786  2.9861  131.395   20.197    129.435   38.899    132.118   23.632    28.921  5.2134  30.652  2.9134  -1.731106      5.972265 
1 1 1 20  -1  27 o 38.564  2.4283  218.455   23.639    196.249   38.305    232.115   30.043    36.478  3.9852  40.650  2.7759  -4.171253      4.856687 
1 1 1 20  -1  28 o 19.836  3.5795  58.601    18.318    0.0000    0.0000    58.601    18.318    ?       ?       19.836  3.5795  ?              ?        
1 1 1 20  -1  29 o 51.364  2.4557  387.121   32.465    390.149   52.880    385.290   41.128    50.924  3.9066  51.805  2.9765  -0.8808289     4.911356 
1 1 1 20  -1  30 f 28.856  4.7353  134.634   35.329    134.634   35.329    0.0000    0.0000    28.856  4.7353  ?       ?       ?              ?        
1 1 1 20  -1  31 o 7.6912  2.4692  -4.8589   10.885    -26.8793  21.851    2.4087    12.553    7.4758  3.6103  7.9065  3.3695  -0.4307213     4.938394 
1 1 1 20  -1  32 o 7.9576  3.5012  -0.2325   14.453    0.0000    0.0000    -0.2325   14.453    ?       ?       7.9576  3.5012  ?              ?        
1 1 1 20  -1  33 o 23.053  3.4400  90.945    19.021    96.465    35.164    88.662    22.616    22.340  5.8187  23.767  3.6710  -1.426796      6.879930 
1 1 1 20  -1  34 o 13.449  3.2394  12.389    14.109    74.595    29.690    -5.7580   16.036    19.377  5.4772  7.5213  3.4604  11.85553       6.478751 
1 1 1 20  0   0  o 78.855  2.0434  834.022   43.140    803.294   60.123    866.632   61.937    77.358  2.9016  80.351  2.8778  -2.993408      4.086750 
1 1 1 20  0   1  o 103.991 2.3670  1452.90   65.922    1454.57   92.473    1451.18   94.000    104.054 3.3179  103.927 3.3768  0.1269913      4.734089 
1 1 1 20  0   2  o 168.508 3.4183  3830.87   154.176   3991.40   217.926   3670.01   218.150   172.069 4.7284  164.947 4.9377  7.121994       6.836563 
1 1 1 20  0   3  o 124.231 2.6904  2076.28   89.519    2091.86   126.330   2060.57   126.870   124.702 3.7822  123.760 3.8273  0.9427948      5.380801 
1 1 1 20  0   4  o 200.454 3.9499  5438.12   212.005   5582.09   299.323   5293.18   300.320   203.148 5.5010  197.761 5.6696  5.387817       7.899701 
1 1 1 20  0   5  o 54.132  1.7537  394.173   25.362    422.861   35.655    364.791   36.084    56.135  2.3714  52.129  2.5843  4.006443       3.507428 
1 1 1 20  0   6  o 112.969 2.5196  1717.33   76.236    1697.66   107.133   1737.51   108.509   112.314 3.5612  113.624 3.5654  -1.310120      5.039290 
1 1 1 20  0   7  o 66.351  1.9862  592.666   35.229    627.762   49.441    556.468   50.212    68.359  2.7002  64.344  2.9135  4.015053       3.972352 
1 1 1 20  0   8  o 55.654  3.4579  418.743   51.292    418.743   51.292    0.0000    0.0000    55.654  3.4579  ?       ?       ?              ?        
1 1 1 20  0   9  o 71.751  2.6518  691.127   46.602    707.798   85.285    684.030   55.643    72.194  4.4319  71.308  2.9133  0.8859634      5.303660 
1 1 1 20  0   10 f 6.0915  1.8394  -0.3992   5.3370    1.0706    7.5322    -1.8813   7.5634    6.3771  2.6574  5.8059  2.5441  0.5712605      3.678874 
1 1 1 20  0   11 o 47.689  1.8141  306.830   23.083    299.812   32.612    313.875   32.676    47.137  2.5930  48.241  2.5378  -1.103626      3.628211 
1 1 1 20  0   12 o 96.807  2.3550  1265.99   61.051    1299.32   86.479    1232.88   86.199    98.087  3.2916  95.528  3.3689  2.559799       4.709993 
1 1 1 20  0   13 o 33.295  1.7642  150.144   15.609    156.170   22.123    144.171   22.027    33.970  2.4478  32.619  2.5412  1.351734       3.528380 
1 1 1 20  0   14 o 80.425  2.1068  874.465   45.365    843.722   64.057    905.400   64.255    78.995  3.0274  81.856  2.9307  -2.860870      4.213600 
1 1 1 20  0   15 o 49.222  1.8520  328.104   24.325    334.416   34.401    321.793   34.401    49.702  2.5930  48.742  2.6449  0.9602242      3.703953 
1 1 1 20  0   16 o 22.841  1.8960  71.726    11.314    64.127    16.011    79.307    15.991    21.582  2.8386  24.101  2.5141  -2.519283      3.791905 
1 1 1 20  0   17 o 42.672  1.8147  247.389   20.635    254.411   29.074    240.261   29.293    43.296  2.5180  42.049  2.6138  1.246948       3.629358 
1 1 1 20  0   18 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  0   19 o 40.987  1.8364  229.032   20.039    237.832   28.217    220.077   28.463    41.802  2.5321  40.172  2.6603  1.630089       3.672744 
1 1 1 20  0   20 o 30.281  1.8713  125.543   15.020    121.468   20.997    129.814   21.496    29.771  2.6612  30.792  2.6316  -1.020582      3.742650 
1 1 1 20  0   21 o 13.906  2.4421  27.621    9.0512    29.399    13.156    26.023    12.472    14.326  3.4661  13.487  3.4413  0.8385448      4.884296 
1 1 1 20  0   22 o 11.243  2.4476  17.108    8.3158    23.237    11.979    11.407    11.553    12.741  3.4328  9.7443  3.4897  2.997198       4.895128 
1 1 1 20  0   23 o 42.070  1.9136  243.783   21.439    250.169   30.203    237.297   30.436    42.648  2.6572  41.492  2.7543  1.156429       3.827153 
1 1 1 20  0   24 o 30.911  2.0127  133.783   16.329    150.027   22.866    116.880   23.326    32.943  2.6128  28.879  3.0622  4.063578       4.025439 
1 1 1 20  0   25 o 9.4240  2.5170  9.6766    8.7003    11.141    12.447    8.2780    12.166    9.7470  3.6026  9.1009  3.5160  0.6461468      5.033973 
1 1 1 20  0   26 o 13.741  2.6578  28.086    10.348    36.183    14.532    19.757    14.739    15.644  3.5496  11.838  3.9567  3.805638       5.315537 
1 1 1 20  0   27 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  0   28 o 22.540  2.3470  74.790    13.679    81.583    19.244    67.852    19.448    23.713  3.1044  21.366  3.5210  2.346798       4.694061 
1 1 1 20  0   29 o 11.763  2.6866  19.526    10.403    30.921    14.764    8.2922    14.660    14.132  3.8126  9.3942  3.7862  4.737886       5.373213 
1 1 1 20  0   30 o 5.6440  2.7163  -16.1501  12.109    -16.1501  12.109    0.0000    0.0000    5.6440  2.7163  ?       ?       ?              ?        
1 1 1 20  0   31 f 10.620  3.1583  9.4903    12.710    14.748    28.568    8.1929    14.192    12.042  5.1058  9.1981  3.7189  2.844212       6.316660 
1 1 1 20  0   32 f 20.205  4.3109  81.062    21.284    80.106    69.921    81.159    22.345    17.665  7.7381  22.744  3.8020  -5.079781      8.621726 
1 1 1 20  0   33 o 11.898  3.2922  21.510    14.023    18.975    29.327    22.261    15.967    12.045  5.1422  11.751  4.1125  0.2942886      6.584441 
1 1 1 20  1   0  o 70.106  1.9667  659.565   36.928    650.826   51.808    668.591   52.649    69.635  2.7777  70.578  2.7851  -0.9435654     3.933458 
1 1 1 20  1   1  o 87.909  2.1641  1037.84   50.956    1034.45   72.014    1041.23   72.111    87.765  3.0634  88.053  3.0575  -0.2873535     4.328140 
1 1 1 20  1   2  o 33.956  1.6601  155.434   15.003    154.339   21.380    156.496   21.058    33.835  2.3741  34.077  2.3209  -0.2415619     3.320127 
1 1 1 20  1   3  o 138.572 2.9343  2586.53   108.898   2623.55   153.618   2549.13   154.395   139.577 4.1090  137.567 4.1901  2.009171       5.868680 
1 1 1 20  1   4  o 61.647  1.8107  510.092   29.895    501.125   42.089    519.222   42.471    61.099  2.5718  62.194  2.5495  -1.094704      3.621332 
1 1 1 20  1   5  o 29.667  1.7570  119.833   13.673    139.138   19.307    100.410   19.366    32.122  2.2583  27.212  2.6923  4.910368       3.514080 
1 1 1 20  1   6  o 70.721  1.9764  671.914   37.435    664.883   52.507    679.181   53.384    70.345  2.7867  71.096  2.8034  -0.7509384     3.952822 
1 1 1 20  1   7  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  1   8  f 95.655  2.3323  1232.26   59.754    1236.17   84.234    1228.30   84.778    95.810  3.2824  95.499  3.3143  0.3107376      4.664615 
1 1 1 20  1   9  o 134.991 2.8925  2463.99   104.581   2443.34   147.835   2484.68   147.963   134.419 4.1061  135.562 4.0750  -1.142181      5.784938 
1 1 1 20  1   10 o 62.725  1.9384  529.501   32.566    524.570   46.018    534.449   46.093    62.431  2.7519  63.019  2.7307  -0.5875015     3.876841 
1 1 1 20  1   11 o 119.647 2.6653  1937.54   85.413    1923.15   120.909   1951.87   120.677   119.198 3.7870  120.097 3.7515  -0.8984985     5.330616 
1 1 1 20  1   12 f 75.293  2.0872  764.930   42.088    776.996   59.550    752.887   59.494    75.890  2.9296  74.695  2.9737  1.194939       4.174332 
1 1 1 20  1   13 o 73.921  2.0716  738.137   41.010    721.631   57.963    754.682   58.030    73.087  2.9609  74.756  2.8982  -1.668503      4.143208 
1 1 1 20  1   14 o 26.109  1.8201  92.954    12.534    86.145    17.679    99.835    17.772    25.121  2.6683  27.097  2.4761  -1.975622      3.640133 
1 1 1 20  1   15 o 23.799  1.8700  77.557    11.683    84.100    16.588    71.116    16.458    24.829  2.5297  22.769  2.7546  2.059965       3.739945 
1 1 1 20  1   16 o 32.768  1.8206  146.312   15.814    157.169   22.363    135.455   22.364    34.013  2.4716  31.524  2.6739  2.489782       3.641206 
1 1 1 20  1   17 o 70.517  3.9267  685.344   73.874    685.344   73.874    0.0000    0.0000    70.517  3.9267  ?       ?       ?              ?        
1 1 1 20  1   18 o 27.973  1.8954  107.159   14.022    103.866   19.814    110.462   19.847    27.529  2.7229  28.417  2.6376  -0.8880749     3.790890 
1 1 1 20  1   19 o 30.212  1.8945  124.962   15.154    132.573   21.646    117.645   21.224    31.135  2.6199  29.289  2.7371  1.846327       3.788908 
1 1 1 20  1   20 o 38.961  1.8940  207.656   19.643    209.704   27.652    205.570   27.908    39.164  2.6516  38.758  2.7052  0.4057083      3.788055 
1 1 1 20  1   21 o 14.576  2.3888  30.883    9.3661    19.897    13.370    41.470    13.125    11.983  3.7494  17.170  2.9608  -5.186850      4.777534 
1 1 1 20  1   22 o 78.059  2.2264  841.051   46.540    852.729   65.521    829.159   66.118    78.633  3.1109  77.484  3.1858  1.148933       4.452727 
1 1 1 20  1   23 o 29.656  1.9836  122.153   15.552    127.765   21.974    116.520   22.015    30.371  2.7304  28.940  2.8782  1.431210       3.967272 
1 1 1 20  1   24 o 9.1958  2.2736  6.9037    8.2207    -7.2666   11.824    20.162    11.437    6.5568  2.9999  11.835  3.4173  -5.277877      4.547181 
1 1 1 20  1   25 o 15.229  2.6539  34.508    10.879    41.776    15.385    27.240    15.385    16.884  3.5162  13.573  3.9762  3.310858       5.307897 
1 1 1 20  1   26 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  1   27 o 18.501  2.5883  51.274    12.369    55.149    17.623    47.513    17.364    19.263  3.5464  17.739  3.7709  1.524357       5.176525 
1 1 1 20  1   28 o 19.075  2.5991  55.535    12.741    67.982    18.016    43.082    18.020    21.523  3.2244  16.628  4.0772  4.894093       5.198123 
1 1 1 20  1   29 o 14.936  2.8201  35.076    11.724    43.295    16.522    26.741    16.639    16.753  3.7728  13.119  4.1926  3.634354       5.640194 
1 1 1 20  1   30 o 12.721  4.1101  25.177    15.958    25.177    15.958    0.0000    0.0000    12.721  4.1101  ?       ?       ?              ?        
1 1 1 20  1   31 o 20.752  3.8178  67.214    20.439    0.0000    0.0000    67.214    20.439    ?       ?       20.752  3.8178  ?              ?        
1 1 1 20  1   32 o 10.480  2.8246  14.611    11.145    20.326    16.185    9.4582    15.369    11.485  4.1286  9.4754  3.8560  2.009801       5.649232 
1 1 1 20  1   33 o 6.6494  2.1458  -9.8214   9.3076    3.8882    12.595    -26.3181  13.816    7.9458  3.3804  5.3530  2.6441  2.592813       4.291655 
1 1 1 20  2   0  f 25.995  1.7933  91.779    12.287    85.184    17.549    98.121    17.210    25.054  2.6555  26.937  2.4107  -1.883015      3.586554 
1 1 1 20  2   1  o 161.098 3.3425  3500.35   144.221   3527.94   203.653   3472.59   204.269   161.741 4.7009  160.455 4.7529  1.285965       6.684944 
1 1 1 20  2   2  o 76.968  2.0193  795.602   41.624    808.326   58.837    782.854   58.893    77.586  2.8313  76.350  2.8798  1.235771       4.038508 
1 1 1 20  2   3  o 16.796  1.9357  38.913    8.3746    43.831    11.956    34.177    11.734    17.889  2.5691  15.704  2.8962  2.184013       3.871445 
1 1 1 20  2   4  o 83.193  2.1127  929.982   47.073    912.152   66.206    948.209   66.941    82.385  3.0003  84.000  2.9752  -1.614975      4.225373 
1 1 1 20  2   5  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  2   6  o 95.768  2.3151  1234.28   59.382    1226.69   83.429    1242.07   84.539    95.471  3.2625  96.065  3.2855  -0.5931931     4.630208 
1 1 1 20  2   7  o 19.794  2.0645  54.128    10.487    64.008    14.933    44.513    14.731    21.667  2.6269  17.921  3.1857  3.745914       4.129051 
1 1 1 20  2   8  o 72.361  2.0482  704.550   39.661    665.230   55.676    745.061   56.513    70.304  2.9566  74.418  2.8352  -4.113731      4.096341 
1 1 1 20  2   9  o 25.760  1.8610  90.174    12.655    87.026    17.786    93.401    18.010    25.296  2.6651  26.225  2.5982  -0.9293098     3.722012 
1 1 1 20  2   10 o 54.632  1.8968  401.819   27.755    397.760   39.218    405.893   39.285    54.355  2.6938  54.910  2.6711  -0.5553360     3.793539 
1 1 1 20  2   11 o 161.463 3.3901  3558.45   146.612   3555.97   207.526   3560.92   207.155   161.403 4.8003  161.523 4.7882  -0.1199493     6.780129 
1 1 1 20  2   12 o 21.294  1.9715  62.277    10.947    66.745    15.487    57.816    15.477    22.091  2.6716  20.497  2.9000  1.594160       3.943046 
1 1 1 20  2   13 o 84.744  2.2235  972.371   50.467    962.050   71.392    982.679   71.351    84.289  3.1622  85.199  3.1266  -0.9093781     4.446962 
1 1 1 20  2   14 o 46.741  1.8828  296.401   23.440    314.477   33.170    278.373   33.127    48.187  2.5793  45.294  2.7435  2.892853       3.765590 
1 1 1 20  2   15 o 17.914  2.0832  44.622    9.6435    44.340    13.837    44.889    13.448    17.846  3.0012  17.982  2.8899  -0.1364212     4.166408 
1 1 1 20  2   16 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  2   17 o 51.208  1.9004  356.378   25.993    372.585   36.802    340.246   36.717    52.423  2.6210  49.992  2.7527  2.430389       3.800867 
1 1 1 20  2   18 o 26.008  1.9311  92.884    13.251    93.619    18.804    92.159    18.677    26.111  2.7289  25.904  2.7332  0.2077274      3.862258 
1 1 1 20  2   19 o 45.349  1.8965  281.035   22.901    295.978   32.289    265.909   32.487    46.594  2.5976  44.104  2.7640  2.489586       3.793033 
1 1 1 20  2   20 o 11.068  2.4748  16.733    8.2497    14.758    11.815    18.613    11.524    10.597  3.5424  11.540  3.4568  -0.9434214     4.949584 
1 1 1 20  2   21 o 44.398  1.9346  271.015   22.855    286.443   32.170    255.292   32.476    45.718  2.6383  43.078  2.8303  2.640194       3.869297 
1 1 1 20  2   22 o 42.665  1.9259  250.833   21.888    254.511   30.804    247.082   31.108    42.998  2.6882  42.333  2.7586  0.6649780      3.851759 
1 1 1 20  2   23 o 14.486  2.5638  30.555    10.119    39.455    14.495    22.095    14.132    16.525  3.3886  12.447  3.8484  4.078666       5.127601 
1 1 1 20  2   24 o 14.284  2.6037  29.993    10.472    18.191    14.759    41.962    14.862    11.569  3.9588  17.000  3.3830  -5.431510      5.207389 
1 1 1 20  2   25 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  2   26 o 20.829  2.3714  63.381    12.771    66.412    18.135    60.398    17.989    21.372  3.2721  20.285  3.4334  1.087231       4.742846 
1 1 1 20  2   27 o 12.765  2.5114  22.548    10.246    5.2477    14.169    41.507    14.833    8.8579  3.6640  16.672  3.4358  -7.814508      5.022897 
1 1 1 20  2   28 o 9.5131  2.5628  7.7465    9.8249    19.440    14.211    -2.9591   13.598    11.523  3.8850  7.5034  3.3436  4.019501       5.125696 
1 1 1 20  2   29 o 16.369  3.9553  41.916    17.148    41.916    17.148    0.0000    0.0000    16.369  3.9553  ?       ?       ?              ?        
1 1 1 20  2   30 o 13.337  3.3457  28.868    14.951    14.563    29.970    33.607    17.251    12.217  5.2063  14.457  4.2033  -2.240162      6.691308 
1 1 1 20  2   31 o 20.597  3.0677  74.021    16.401    47.661    25.221    93.337    21.589    16.342  5.1552  24.853  3.3267  -8.510206      6.135393 
1 1 1 20  2   32 o 5.6030  1.9086  -18.1022  8.7020    -28.9088  12.387    -7.5713   12.228    4.8093  2.3970  6.3967  2.9706  -1.587431      3.817135 
1 1 1 20  3   0  o 50.611  1.7625  343.684   23.891    350.459   34.029    337.099   33.550    51.103  2.4860  50.119  2.4992  0.9840088      3.525069 
1 1 1 20  3   1  o 113.945 3.1841  1744.45   89.988    1733.72   108.308   1768.38   161.705   113.530 3.5617  114.360 5.2791  -0.8306808     6.368266 
1 1 1 20  3   2  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  3   3  x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  3   4  o 48.063  1.7684  311.017   22.686    307.156   31.963    314.935   32.203    47.761  2.5073  48.365  2.4943  -0.6038589     3.536723 
1 1 1 20  3   5  o 54.976  1.8612  406.078   27.405    406.309   38.552    405.842   38.965    54.993  2.6173  54.959  2.6469  0.3364563E-01  3.722439 
1 1 1 20  3   6  o 44.510  1.8317  267.061   21.739    259.875   30.492    274.489   31.001    43.898  2.6050  45.123  2.5757  -1.224957      3.663385 
1 1 1 20  3   7  f 53.270  1.9096  382.620   27.156    400.846   38.145    363.889   38.670    54.603  2.6081  51.937  2.7900  2.666370       3.819185 
1 1 1 20  3   8  o 84.102  2.2342  953.604   50.314    973.833   70.842    933.012   71.472    85.011  3.1112  83.194  3.2074  1.816887       4.468462 
1 1 1 20  3   9  o 74.402  2.1061  746.176   41.968    753.501   59.172    738.761   59.532    74.773  2.9545  74.031  3.0023  0.7425613      4.212189 
1 1 1 20  3   10 o 55.454  1.9125  414.878   28.349    400.581   39.982    429.332   40.201    54.453  2.7502  56.455  2.6585  -2.002151      3.825093 
1 1 1 20  3   11 o 48.799  1.8974  322.065   24.702    327.489   34.921    316.634   34.946    49.215  2.6590  48.382  2.7075  0.8332787      3.794842 
1 1 1 20  3   12 f 73.174  2.0857  723.952   40.871    708.212   57.818    739.672   57.782    72.371  2.9827  73.977  2.9161  -1.605576      4.171361 
1 1 1 20  3   13 o 49.335  1.8887  329.799   24.861    336.979   35.206    322.659   35.111    49.878  2.6447  48.792  2.6970  1.085358       3.777339 
1 1 1 20  3   14 o 27.364  1.8680  102.189   13.518    100.826   19.220    103.524   19.016    27.175  2.6752  27.552  2.6078  -0.3773365     3.735924 
1 1 1 20  3   15 x ?       ?       ?         ?         ?         ?         ?         ?         ?       ?       ?       ?       ?              ?        
1 1 1 20  3   16 o 75.271  2.1400  770.808   43.143    761.315   60.952    780.340   61.075    74.801  3.0423  75.742  3.0105  -0.9412537     4.279994 
1 1 1 20  3   17 o 24.540  1.9533  82.746    12.608    86.658    18.085    79.046    17.587    25.118  2.7321  23.963  2.7924  1.155205       3.906661 
1 1 1 20  3   18 o 7.9985  2.2293  4.8390    7.0461    7.1002    10.367    2.8981    9.6054    8.5519  3.2603  7.4450  3.0412  1.106885       4.458509 
1 1 1 20  3   19 o 7.7861  2.2163  3.8041    7.1308    5.8516    10.182    1.8330    9.9899    8.2187  3.2050  7.3535  3.0620  0.8651795      4.432562 
1 1 1 20  3   20 o 35.491  1.9717  174.763   18.278    209.844   25.930    140.115   25.769    39.179  2.4837  31.803  3.0630  7.375793       3.943452 
1 1 1 20  3   21 o 52.631  1.9683  380.859   27.611    347.403   38.756    415.342   39.346    50.191  2.8951  55.071  2.6674 